11 BCOM cmbuild -F purine.1.c.cm purine.1.sto
12 BDATE Tue Jun 10 14:02:19 2008
13 CCOM cmcalibrate --mpi -s 33 purine.1.c.cm
14 CDATE Tue Jun 10 14:04:59 2008
15 NULL 0.000 0.000 0.000 0.000
17 E-LC 0 0.64833 -7.14264 2.12133 1500000 456645 0.002464
18 E-GC 0 0.46448 -14.38873 -5.02654 1500000 29013 0.012925
19 E-LI 0 0.65194 -4.96886 3.85984 1500000 355523 0.003164
20 E-GI 0 0.49174 -9.59692 -0.75492 1500000 28995 0.012933
21 E-LV 0 0.59065 -2.13140 5.57363 15000000 106563 0.010557
22 E-GV 0 0.43778 -7.76006 5.03247 15000000 101436 0.003697
23 E-LF 0 0.66077 2.12933 8.99900 15000000 105326 0.010681
24 E-GF 0 0.51245 -2.36642 8.56322 15000000 101500 0.003695
25 FT-LC 34 0.99500 10000 1500000 0
26 0.00452996 0.00389903 0.00341422 0.00288634 0.00265286 0.00187979 0.000984222 0.000936242 0.0007468 0.000598133 0.000529425 0.000385634 0.000285602 0.000236949 0.000152016 0.000141459 0.000123592 7.17917e-05 5.25729e-05 4.22648e-05 3.17222e-05 3.0333e-05 2.67051e-05 2.35364e-05 2.01571e-05 1.36351e-05 1.1297e-05 9.49059e-06 9.23133e-06 1.14947e-08 4.15804e-09 4.0082e-09 2.4551e-09 1.49663e-09
27 5212.25 4579.09 3706.37 3297.28 2830.51 2471.93 2078.98 1778.8 1598.22 1403.15 1178.54 1003.72 829.781 733.816 642.125 569.365 502.853 446.759 388.875 347.556 259.185 231.188 207.856 186.386 162.559 146.25 108.274 96.3867 94.0454 77.1452 38.1921 23.2212 13.7596 9.40454
28 FT-LI 36 0.99500 10000 1500000 0
29 0.00850336 0.00741054 0.00431807 0.00363433 0.00307697 0.00182873 0.00124959 0.00107591 0.000839932 0.000519964 0.000482718 0.000353331 0.000301383 0.00023473 0.000163517 0.000143345 0.000138557 0.000106854 7.70022e-05 6.39427e-05 4.78061e-05 3.98837e-05 3.73716e-05 3.3184e-05 3.11406e-05 3.07918e-05 2.42366e-05 1.61341e-05 1.29786e-05 9.02737e-06 8.21719e-06 1.19501e-08 1.08007e-08 1.04462e-08 6.93206e-09 2.01991e-09
30 5212.25 4579.09 3706.37 3297.28 2830.51 2531.44 2226.87 1847.07 1648.64 1403.15 1208.51 1003.72 829.781 733.816 642.125 569.365 502.853 446.759 388.875 347.556 290.19 259.185 231.188 207.856 186.386 162.559 146.25 124.308 108.274 96.3867 94.0454 75.4313 38.1921 29.8295 23.2212 9.40454
31 FT-GC 36 0.99500 10000 1500000 0
32 24.1331 9.58982 5.9462 2.00331 1.20472 0.426064 0.215394 0.123414 0.074245 0.054071 0.0492988 0.0410377 0.0224058 0.0160269 0.0122088 0.00592477 0.00450385 0.00296819 0.00250509 0.00228036 0.0020282 0.00140472 0.00105539 0.000873973 0.000585355 0.000497859 0.000437115 0.000303842 0.000278283 0.000201632 0.000155905 0.000124376 7.78412e-05 7.46192e-05 6.76104e-08 5.18833e-08
33 5427.93 4831.86 4124.25 3650.71 3203.51 2762.54 2371.3 2101.18 1860.88 1632.93 1461.83 1310.67 1084.85 947.093 838.779 720.728 612.036 510.235 438.648 394.703 352.983 315.349 260.616 232.83 209.183 187.264 167.299 149.769 134.35 120.581 104.732 92.0909 80.4795 73.8869 8.97747 7.38869
34 FT-GI 36 0.99500 10000 1500000 0
35 18.4719 6.8295 3.27761 1.18195 0.769228 0.332874 0.161281 0.112362 0.0751909 0.0472083 0.0377739 0.0324258 0.022067 0.0163589 0.0109462 0.00556627 0.00493464 0.0039373 0.00348885 0.00301673 0.00262653 0.0021461 0.00142516 0.00103985 0.000632597 0.000497663 0.000423556 0.000259907 0.000226887 0.00020694 0.000190256 0.000107139 8.872e-05 8.44254e-05 1.4384e-07 1.0721e-07
36 5427.93 4831.86 4124.25 3650.71 3203.51 2762.54 2371.3 2101.18 1860.88 1632.93 1461.83 1310.67 1084.85 947.093 838.779 720.728 612.036 549.592 477.841 416.95 368.698 315.349 260.616 232.83 209.183 187.264 167.299 149.769 134.35 120.891 104.732 92.0909 80.4795 73.8869 8.97747 7.38869
39 S 0 -1 0 1 4 -6.476 -6.683 -0.074 -5.097
40 IL 1 1 2 1 4 -1.686 -2.369 -1.117 -4.855 0.000 0.000 0.000 0.000
41 IR 2 2 3 2 3 -1.442 -0.798 -4.142 0.000 0.000 0.000 0.000
43 ML 3 2 3 5 3 -7.532 -0.028 -6.186 1.498 -1.614 -1.435 -1.062
44 D 4 2 3 5 3 -6.174 -1.687 -0.566
45 IL 5 5 3 5 3 -1.442 -0.798 -4.142 0.000 0.000 0.000 0.000
47 ML 6 5 3 8 3 -7.532 -0.028 -6.186 1.498 -1.614 -1.435 -1.062
48 D 7 5 3 8 3 -6.174 -1.687 -0.566
49 IL 8 8 3 8 3 -1.442 -0.798 -4.142 0.000 0.000 0.000 0.000
51 ML 9 8 3 11 3 -7.532 -0.028 -6.186 1.498 -1.614 -1.435 -1.062
52 D 10 8 3 11 3 -6.174 -1.687 -0.566
53 IL 11 11 3 11 3 -1.442 -0.798 -4.142 0.000 0.000 0.000 0.000
55 ML 12 11 3 14 3 -7.532 -0.028 -6.186 1.498 -1.614 -1.435 -1.062
56 D 13 11 3 14 3 -6.174 -1.687 -0.566
57 IL 14 14 3 14 3 -1.442 -0.798 -4.142 0.000 0.000 0.000 0.000
59 ML 15 14 3 17 3 -7.532 -0.028 -6.186 -0.327 -0.985 -1.116 1.161
60 D 16 14 3 17 3 -6.174 -1.687 -0.566
61 IL 17 17 3 17 3 -1.442 -0.798 -4.142 0.000 0.000 0.000 0.000
63 ML 18 17 3 20 3 -7.532 -0.028 -6.186 -0.327 -0.985 -1.116 1.161
64 D 19 17 3 20 3 -6.174 -1.687 -0.566
65 IL 20 20 3 20 3 -1.442 -0.798 -4.142 0.000 0.000 0.000 0.000
67 ML 21 20 3 23 3 -7.532 -0.028 -6.186 -0.482 -1.493 1.257 -0.893
68 D 22 20 3 23 3 -6.174 -1.687 -0.566
69 IL 23 23 3 23 3 -1.442 -0.798 -4.142 0.000 0.000 0.000 0.000
71 ML 24 23 3 26 3 -7.532 -0.028 -6.186 1.498 -1.614 -1.435 -1.062
72 D 25 23 3 26 3 -6.174 -1.687 -0.566
73 IL 26 26 3 26 3 -1.442 -0.798 -4.142 0.000 0.000 0.000 0.000
75 ML 27 26 3 29 3 -7.532 -0.028 -6.186 1.498 -1.614 -1.435 -1.062
76 D 28 26 3 29 3 -6.174 -1.687 -0.566
77 IL 29 29 3 29 3 -1.442 -0.798 -4.142 0.000 0.000 0.000 0.000
79 ML 30 29 3 32 3 -7.532 -0.028 -6.186 -0.327 -0.985 -1.116 1.161
80 D 31 29 3 32 3 -6.174 -1.687 -0.566
81 IL 32 32 3 32 3 -1.442 -0.798 -4.142 0.000 0.000 0.000 0.000
83 ML 33 32 3 35 3 -7.532 -0.028 -6.186 1.498 -1.614 -1.435 -1.062
84 D 34 32 3 35 3 -6.174 -1.687 -0.566
85 IL 35 35 3 35 3 -1.442 -0.798 -4.142 0.000 0.000 0.000 0.000
87 ML 36 35 3 38 3 -7.532 -0.028 -6.186 -0.327 -0.985 -1.116 1.161
88 D 37 35 3 38 3 -6.174 -1.687 -0.566
89 IL 38 38 3 38 3 -1.442 -0.798 -4.142 0.000 0.000 0.000 0.000
91 ML 39 38 3 41 3 -7.532 -0.028 -6.186 -0.337 1.020 -1.177 -0.439
92 D 40 38 3 41 3 -6.174 -1.687 -0.566
93 IL 41 41 3 41 3 -1.442 -0.798 -4.142 0.000 0.000 0.000 0.000
95 ML 42 41 3 44 3 -7.532 -0.028 -6.186 -0.482 -1.493 1.257 -0.893
96 D 43 41 3 44 3 -6.174 -1.687 -0.566
97 IL 44 44 3 44 3 -1.442 -0.798 -4.142 0.000 0.000 0.000 0.000
99 ML 45 44 3 47 3 -7.532 -0.028 -6.186 -0.327 -0.985 -1.116 1.161
100 D 46 44 3 47 3 -6.174 -1.687 -0.566
101 IL 47 47 3 47 3 -1.442 -0.798 -4.142 0.000 0.000 0.000 0.000
103 ML 48 47 3 50 3 -7.532 -0.028 -6.186 -0.327 -0.985 -1.116 1.161
104 D 49 47 3 50 3 -6.174 -1.687 -0.566
105 IL 50 50 3 50 3 -1.442 -0.798 -4.142 0.000 0.000 0.000 0.000
107 ML 51 50 3 53 3 -7.955 -0.025 -6.272 -0.327 -0.985 -1.116 1.161
108 D 52 50 3 53 3 -5.620 -0.734 -1.403
109 IL 53 53 3 53 3 -1.925 -0.554 -4.164 0.000 0.000 0.000 0.000
111 MR 54 53 3 56 3 -7.955 -0.025 -6.272 -0.327 -0.985 -1.116 1.161
112 D 55 53 3 56 3 -6.390 -1.568 -0.620
113 IR 56 56 3 56 3 -1.925 -0.554 -4.164 0.000 0.000 0.000 0.000
115 MR 57 56 3 59 3 -7.955 -0.025 -6.272 1.498 -1.614 -1.435 -1.062
116 D 58 56 3 59 3 -6.390 -1.568 -0.620
117 IR 59 59 3 59 3 -1.925 -0.554 -4.164 0.000 0.000 0.000 0.000
119 MR 60 59 3 62 3 -7.955 -0.025 -6.272 -0.482 -1.493 1.257 -0.893
120 D 61 59 3 62 3 -6.390 -1.568 -0.620
121 IR 62 62 3 62 3 -1.925 -0.554 -4.164 0.000 0.000 0.000 0.000
123 MR 63 62 3 65 3 -7.955 -0.025 -6.272 1.498 -1.614 -1.435 -1.062
124 D 64 62 3 65 3 -6.390 -1.568 -0.620
125 IR 65 65 3 65 3 -1.925 -0.554 -4.164 0.000 0.000 0.000 0.000
127 MR 66 65 3 68 3 -7.955 -0.025 -6.272 -0.482 -1.493 1.257 -0.893
128 D 67 65 3 68 3 -6.390 -1.568 -0.620
129 IR 68 68 3 68 3 -1.925 -0.554 -4.164 0.000 0.000 0.000 0.000
131 MR 69 68 3 71 3 -7.955 -0.025 -6.272 -0.327 -0.985 -1.116 1.161
132 D 70 68 3 71 3 -6.390 -1.568 -0.620
133 IR 71 71 3 71 3 -1.925 -0.554 -4.164 0.000 0.000 0.000 0.000
135 MR 72 71 3 74 3 -7.955 -0.025 -6.272 -0.482 -1.493 1.257 -0.893
136 D 73 71 3 74 3 -6.390 -1.568 -0.620
137 IR 74 74 3 74 3 -1.925 -0.554 -4.164 0.000 0.000 0.000 0.000
139 MR 75 74 3 77 3 -7.955 -0.025 -6.272 1.498 -1.614 -1.435 -1.062
140 D 76 74 3 77 3 -6.390 -1.568 -0.620
141 IR 77 77 3 77 3 -1.925 -0.554 -4.164 0.000 0.000 0.000 0.000
143 MR 78 77 3 80 3 -7.955 -0.025 -6.272 -0.337 1.020 -1.177 -0.439
144 D 79 77 3 80 3 -6.390 -1.568 -0.620
145 IR 80 80 3 80 3 -1.925 -0.554 -4.164 0.000 0.000 0.000 0.000
147 MR 81 80 3 83 3 -7.955 -0.025 -6.272 -0.482 -1.493 1.257 -0.893
148 D 82 80 3 83 3 -6.390 -1.568 -0.620
149 IR 83 83 3 83 3 -1.925 -0.554 -4.164 0.000 0.000 0.000 0.000
151 MR 84 83 3 86 3 -7.955 -0.025 -6.272 1.498 -1.614 -1.435 -1.062
152 D 85 83 3 86 3 -6.390 -1.568 -0.620
153 IR 86 86 3 86 3 -1.925 -0.554 -4.164 0.000 0.000 0.000 0.000
155 MR 87 86 3 89 3 -7.955 -0.025 -6.272 -0.337 1.020 -1.177 -0.439
156 D 88 86 3 89 3 -6.390 -1.568 -0.620
157 IR 89 89 3 89 3 -1.925 -0.554 -4.164 0.000 0.000 0.000 0.000
159 MR 90 89 3 92 3 -7.955 -0.025 -6.272 -0.327 -0.985 -1.116 1.161
160 D 91 89 3 92 3 -6.390 -1.568 -0.620
161 IR 92 92 3 92 3 -1.925 -0.554 -4.164 0.000 0.000 0.000 0.000
163 MR 93 92 3 95 3 -7.955 -0.025 -6.272 -0.482 -1.493 1.257 -0.893
164 D 94 92 3 95 3 -6.390 -1.568 -0.620
165 IR 95 95 3 95 3 -1.925 -0.554 -4.164 0.000 0.000 0.000 0.000
167 MR 96 95 3 98 5 -6.724 -0.051 -6.539 -6.751 -7.643 1.498 -1.614 -1.435 -1.062
168 D 97 95 3 98 5 -5.352 -0.707 -2.978 -4.409 -2.404
169 IR 98 98 3 98 5 -2.408 -0.496 -5.920 -4.087 -5.193 0.000 0.000 0.000 0.000
171 MP 99 98 3 103 6 -8.945 -8.884 -0.024 -7.661 -7.941 -8.336 -3.199 -3.276 -3.629 0.883 -2.608 -4.318 1.698 -3.543 -3.524 1.032 -3.752 -0.668 2.678 -3.435 -0.288 -2.550
172 ML 100 98 3 103 6 -6.250 -6.596 -1.310 -1.005 -6.446 -3.975 0.660 -0.612 -0.293 -0.076
173 MR 101 98 3 103 6 -6.988 -5.717 -1.625 -5.695 -0.829 -3.908 0.660 -0.612 -0.293 -0.076
174 D 102 98 3 103 6 -9.049 -7.747 -3.544 -4.226 -4.244 -0.319
175 IL 103 103 5 103 6 -2.579 -2.842 -0.760 -4.497 -5.274 -4.934 0.000 0.000 0.000 0.000
176 IR 104 104 6 104 5 -2.408 -0.496 -5.920 -4.087 -5.193 0.000 0.000 0.000 0.000
178 MP 105 104 6 109 6 -8.945 -8.884 -0.024 -7.661 -7.941 -8.336 -3.618 -2.932 -4.093 2.847 -3.607 -4.408 0.966 -3.592 -3.775 1.575 -3.837 -0.508 0.807 -3.738 -0.800 -2.820
179 ML 106 104 6 109 6 -6.250 -6.596 -1.310 -1.005 -6.446 -3.975 0.660 -0.612 -0.293 -0.076
180 MR 107 104 6 109 6 -6.988 -5.717 -1.625 -5.695 -0.829 -3.908 0.660 -0.612 -0.293 -0.076
181 D 108 104 6 109 6 -9.049 -7.747 -3.544 -4.226 -4.244 -0.319
182 IL 109 109 5 109 6 -2.579 -2.842 -0.760 -4.497 -5.274 -4.934 0.000 0.000 0.000 0.000
183 IR 110 110 6 110 5 -2.408 -0.496 -5.920 -4.087 -5.193 0.000 0.000 0.000 0.000
185 MP 111 110 6 115 6 -8.945 -8.884 -0.024 -7.661 -7.941 -8.336 -4.203 -4.052 -3.950 0.431 -3.181 -4.548 3.207 -4.057 -4.614 0.613 -3.979 -1.224 1.075 -4.404 -0.498 -3.296
186 ML 112 110 6 115 6 -6.250 -6.596 -1.310 -1.005 -6.446 -3.975 0.660 -0.612 -0.293 -0.076
187 MR 113 110 6 115 6 -6.988 -5.717 -1.625 -5.695 -0.829 -3.908 0.660 -0.612 -0.293 -0.076
188 D 114 110 6 115 6 -9.049 -7.747 -3.544 -4.226 -4.244 -0.319
189 IL 115 115 5 115 6 -2.579 -2.842 -0.760 -4.497 -5.274 -4.934 0.000 0.000 0.000 0.000
190 IR 116 116 6 116 5 -2.408 -0.496 -5.920 -4.087 -5.193 0.000 0.000 0.000 0.000
192 MP 117 116 6 121 6 -8.945 -8.884 -0.024 -7.661 -7.941 -8.336 -3.199 -3.276 -3.629 0.883 -2.608 -4.318 1.698 -3.543 -3.524 1.032 -3.752 -0.668 2.678 -3.435 -0.288 -2.550
193 ML 118 116 6 121 6 -6.250 -6.596 -1.310 -1.005 -6.446 -3.975 0.660 -0.612 -0.293 -0.076
194 MR 119 116 6 121 6 -6.988 -5.717 -1.625 -5.695 -0.829 -3.908 0.660 -0.612 -0.293 -0.076
195 D 120 116 6 121 6 -9.049 -7.747 -3.544 -4.226 -4.244 -0.319
196 IL 121 121 5 121 6 -2.579 -2.842 -0.760 -4.497 -5.274 -4.934 0.000 0.000 0.000 0.000
197 IR 122 122 6 122 5 -2.408 -0.496 -5.920 -4.087 -5.193 0.000 0.000 0.000 0.000
199 MP 123 122 6 127 6 -8.945 -8.884 -0.024 -7.661 -7.941 -8.336 -3.199 -3.276 -3.629 0.883 -2.608 -4.318 1.698 -3.543 -3.524 1.032 -3.752 -0.668 2.678 -3.435 -0.288 -2.550
200 ML 124 122 6 127 6 -6.250 -6.596 -1.310 -1.005 -6.446 -3.975 0.660 -0.612 -0.293 -0.076
201 MR 125 122 6 127 6 -6.988 -5.717 -1.625 -5.695 -0.829 -3.908 0.660 -0.612 -0.293 -0.076
202 D 126 122 6 127 6 -9.049 -7.747 -3.544 -4.226 -4.244 -0.319
203 IL 127 127 5 127 6 -2.579 -2.842 -0.760 -4.497 -5.274 -4.934 0.000 0.000 0.000 0.000
204 IR 128 128 6 128 5 -2.408 -0.496 -5.920 -4.087 -5.193 0.000 0.000 0.000 0.000
206 MP 129 128 6 133 6 -8.945 -8.884 -0.024 -7.661 -7.941 -8.336 -3.594 -2.966 -3.916 1.072 -3.383 -4.350 0.870 -3.494 -3.591 1.519 -3.603 2.562 0.820 -3.523 -0.684 -2.768
207 ML 130 128 6 133 6 -6.250 -6.596 -1.310 -1.005 -6.446 -3.975 0.660 -0.612 -0.293 -0.076
208 MR 131 128 6 133 6 -6.988 -5.717 -1.625 -5.695 -0.829 -3.908 0.660 -0.612 -0.293 -0.076
209 D 132 128 6 133 6 -9.049 -7.747 -3.544 -4.226 -4.244 -0.319
210 IL 133 133 5 133 6 -2.579 -2.842 -0.760 -4.497 -5.274 -4.934 0.000 0.000 0.000 0.000
211 IR 134 134 6 134 5 -2.408 -0.496 -5.920 -4.087 -5.193 0.000 0.000 0.000 0.000
213 MP 135 134 6 139 6 -8.945 -8.884 -0.024 -7.661 -7.941 -8.336 -3.199 -3.276 -3.629 0.883 -2.608 -4.318 1.698 -3.543 -3.524 1.032 -3.752 -0.668 2.678 -3.435 -0.288 -2.550
214 ML 136 134 6 139 6 -6.250 -6.596 -1.310 -1.005 -6.446 -3.975 0.660 -0.612 -0.293 -0.076
215 MR 137 134 6 139 6 -6.988 -5.717 -1.625 -5.695 -0.829 -3.908 0.660 -0.612 -0.293 -0.076
216 D 138 134 6 139 6 -9.049 -7.747 -3.544 -4.226 -4.244 -0.319
217 IL 139 139 5 139 6 -2.579 -2.842 -0.760 -4.497 -5.274 -4.934 0.000 0.000 0.000 0.000
218 IR 140 140 6 140 5 -2.408 -0.496 -5.920 -4.087 -5.193 0.000 0.000 0.000 0.000
220 MP 141 140 6 145 4 -6.476 -6.683 -0.074 -5.097 -3.199 -3.276 -3.629 0.883 -2.608 -4.318 1.698 -3.543 -3.524 1.032 -3.752 -0.668 2.678 -3.435 -0.288 -2.550
221 ML 142 140 6 145 4 -3.758 -3.940 -0.507 -2.670 0.660 -0.612 -0.293 -0.076
222 MR 143 140 6 145 4 -4.809 -3.838 -1.706 -0.766 0.660 -0.612 -0.293 -0.076
223 D 144 140 6 145 4 -4.568 -4.250 -2.265 -0.520
224 IL 145 145 5 145 4 -1.686 -2.369 -1.117 -4.855 0.000 0.000 0.000 0.000
225 IR 146 146 6 146 3 -1.442 -0.798 -4.142 0.000 0.000 0.000 0.000
227 ML 147 146 6 149 3 -7.532 -0.028 -6.186 -0.327 -0.985 -1.116 1.161
228 D 148 146 6 149 3 -6.174 -1.687 -0.566
229 IL 149 149 3 149 3 -1.442 -0.798 -4.142 0.000 0.000 0.000 0.000
231 ML 150 149 3 152 3 -7.532 -0.028 -6.186 1.498 -1.614 -1.435 -1.062
232 D 151 149 3 152 3 -6.174 -1.687 -0.566
233 IL 152 152 3 152 3 -1.442 -0.798 -4.142 0.000 0.000 0.000 0.000
235 ML 153 152 3 155 3 -7.955 -0.025 -6.272 -0.327 -0.985 -1.116 1.161
236 D 154 152 3 155 3 -5.620 -0.734 -1.403
237 IL 155 155 3 155 3 -1.925 -0.554 -4.164 0.000 0.000 0.000 0.000
239 MR 156 155 3 158 3 -7.955 -0.025 -6.272 -0.337 1.020 -1.177 -0.439
240 D 157 155 3 158 3 -6.390 -1.568 -0.620
241 IR 158 158 3 158 3 -1.925 -0.554 -4.164 0.000 0.000 0.000 0.000
243 MR 159 158 3 161 2 -7.819 -0.006 1.498 -1.614 -1.435 -1.062
244 D 160 158 3 161 2 -4.432 -0.068
245 IR 161 161 3 161 2 -1.823 -0.479 0.000 0.000 0.000 0.000
249 S 163 162 1 164 4 -0.052 -6.614 -6.022 -6.662
251 MP 164 163 1 168 6 -8.945 -8.884 -0.024 -7.661 -7.941 -8.336 -4.317 -3.182 -4.802 0.958 -4.364 -4.231 0.538 -4.349 -4.097 3.274 -3.876 -0.691 0.344 -3.833 -1.287 -3.442
252 ML 165 163 1 168 6 -6.250 -6.596 -1.310 -1.005 -6.446 -3.975 0.660 -0.612 -0.293 -0.076
253 MR 166 163 1 168 6 -6.988 -5.717 -1.625 -5.695 -0.829 -3.908 0.660 -0.612 -0.293 -0.076
254 D 167 163 1 168 6 -9.049 -7.747 -3.544 -4.226 -4.244 -0.319
255 IL 168 168 5 168 6 -2.579 -2.842 -0.760 -4.497 -5.274 -4.934 0.000 0.000 0.000 0.000
256 IR 169 169 6 169 5 -2.408 -0.496 -5.920 -4.087 -5.193 0.000 0.000 0.000 0.000
258 MP 170 169 6 174 6 -8.945 -8.884 -0.024 -7.661 -7.941 -8.336 -3.199 -3.276 -3.629 0.883 -2.608 -4.318 1.698 -3.543 -3.524 1.032 -3.752 -0.668 2.678 -3.435 -0.288 -2.550
259 ML 171 169 6 174 6 -6.250 -6.596 -1.310 -1.005 -6.446 -3.975 0.660 -0.612 -0.293 -0.076
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