NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
540412 |
2los   |
18223 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2los
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 500
_Distance_constraint_stats_list.Viol_count 919
_Distance_constraint_stats_list.Viol_total 871.432
_Distance_constraint_stats_list.Viol_max 0.214
_Distance_constraint_stats_list.Viol_rms 0.0181
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.0474
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 12 ASP 0.679 0.047 19 0 "[ . 1 . 2]"
1 13 THR 0.240 0.047 19 0 "[ . 1 . 2]"
1 14 SER 2.573 0.123 12 0 "[ . 1 . 2]"
1 15 SER 0.187 0.047 4 0 "[ . 1 . 2]"
1 16 VAL 0.025 0.017 16 0 "[ . 1 . 2]"
1 17 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 HIS 1.189 0.092 9 0 "[ . 1 . 2]"
1 21 TRP 0.336 0.090 20 0 "[ . 1 . 2]"
1 22 PHE 0.098 0.028 9 0 "[ . 1 . 2]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 GLY 0.122 0.034 18 0 "[ . 1 . 2]"
1 26 TYR 0.152 0.033 6 0 "[ . 1 . 2]"
1 27 ALA 0.151 0.043 20 0 "[ . 1 . 2]"
1 29 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 SER 7.303 0.171 14 0 "[ . 1 . 2]"
1 33 GLY 2.544 0.144 19 0 "[ . 1 . 2]"
1 34 GLY 1.445 0.175 15 0 "[ . 1 . 2]"
1 37 GLY 1.012 0.072 12 0 "[ . 1 . 2]"
1 38 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 LYS 1.636 0.168 4 0 "[ . 1 . 2]"
1 41 ALA 3.059 0.157 18 0 "[ . 1 . 2]"
1 42 GLY 1.461 0.182 19 0 "[ . 1 . 2]"
1 43 SER 2.625 0.138 16 0 "[ . 1 . 2]"
1 44 VAL 0.097 0.049 15 0 "[ . 1 . 2]"
1 47 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ALA 0.908 0.119 18 0 "[ . 1 . 2]"
1 49 ALA 0.417 0.165 15 0 "[ . 1 . 2]"
1 50 GLY 1.554 0.111 5 0 "[ . 1 . 2]"
1 51 LEU 1.402 0.133 15 0 "[ . 1 . 2]"
1 53 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLY 1.379 0.099 12 0 "[ . 1 . 2]"
1 55 SER 6.113 0.182 19 0 "[ . 1 . 2]"
1 58 GLY 2.225 0.163 18 0 "[ . 1 . 2]"
1 59 LEU 1.339 0.180 14 0 "[ . 1 . 2]"
1 60 GLY 2.643 0.214 6 0 "[ . 1 . 2]"
1 61 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 TYR 2.585 0.171 14 0 "[ . 1 . 2]"
1 63 GLN 0.168 0.043 2 0 "[ . 1 . 2]"
1 64 LEU 0.589 0.093 9 0 "[ . 1 . 2]"
1 65 SER 1.443 0.136 14 0 "[ . 1 . 2]"
1 66 GLN 0.174 0.047 8 0 "[ . 1 . 2]"
1 69 ARG 1.889 0.136 13 0 "[ . 1 . 2]"
1 70 ASN 0.061 0.035 5 0 "[ . 1 . 2]"
1 71 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 TRP 0.076 0.034 2 0 "[ . 1 . 2]"
1 73 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 THR 0.044 0.019 14 0 "[ . 1 . 2]"
1 78 SER 3.314 0.136 13 0 "[ . 1 . 2]"
1 79 GLY 0.039 0.024 12 0 "[ . 1 . 2]"
1 80 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 LEU 0.055 0.028 13 0 "[ . 1 . 2]"
1 82 ALA 0.059 0.038 13 0 "[ . 1 . 2]"
1 83 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 MET 0.004 0.003 13 0 "[ . 1 . 2]"
1 87 MET 0.732 0.050 2 0 "[ . 1 . 2]"
1 91 HIS 0.351 0.053 7 0 "[ . 1 . 2]"
1 92 SER 9.509 0.180 14 0 "[ . 1 . 2]"
1 93 GLY 0.076 0.054 6 0 "[ . 1 . 2]"
1 95 PHE 0.867 0.087 12 0 "[ . 1 . 2]"
1 96 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 ALA 0.017 0.014 7 0 "[ . 1 . 2]"
1 99 GLY 0.192 0.050 19 0 "[ . 1 . 2]"
1 101 ILE 0.101 0.029 6 0 "[ . 1 . 2]"
1 102 ALA 0.101 0.038 20 0 "[ . 1 . 2]"
1 103 GLY 0.171 0.066 19 0 "[ . 1 . 2]"
1 104 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 SER 6.126 0.168 4 0 "[ . 1 . 2]"
1 106 LEU 0.004 0.004 16 0 "[ . 1 . 2]"
1 108 MET 0.501 0.099 10 0 "[ . 1 . 2]"
1 109 VAL 0.014 0.014 14 0 "[ . 1 . 2]"
1 110 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 VAL 0.027 0.015 19 0 "[ . 1 . 2]"
1 115 SER 0.075 0.026 20 0 "[ . 1 . 2]"
1 117 PHE 0.255 0.103 4 0 "[ . 1 . 2]"
1 118 ASN 0.097 0.077 4 0 "[ . 1 . 2]"
1 119 ARG 3.952 0.155 20 0 "[ . 1 . 2]"
1 120 PRO 8.315 0.214 6 0 "[ . 1 . 2]"
1 121 HIS 0.247 0.102 4 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 12 ASP H 1 32 SER CB . 25.000 . 25.183 24.969 25.923 0.031 19 0 "[ . 1 . 2]" 1
2 1 12 ASP H 1 41 ALA CB . 18.450 . 32.766 31.878 34.563 . 0 0 "[ . 1 . 2]" 1
3 1 12 ASP H 1 55 SER CB . 25.000 . 29.797 28.413 31.180 . 0 0 "[ . 1 . 2]" 1
4 1 12 ASP H 1 65 SER CB . 25.000 . 31.625 30.162 33.421 . 0 0 "[ . 1 . 2]" 1
5 1 12 ASP H 1 78 SER CB . 18.050 26.050 23.301 21.570 24.969 . 0 0 "[ . 1 . 2]" 1
6 1 12 ASP H 1 92 SER CB . 17.380 25.380 17.460 17.340 18.638 0.040 19 0 "[ . 1 . 2]" 1
7 1 12 ASP H 1 105 SER CB . 15.360 23.360 23.348 22.946 23.407 0.047 19 0 "[ . 1 . 2]" 1
8 1 12 ASP H 1 120 PRO CB . 23.510 . 37.976 37.394 38.856 . 0 0 "[ . 1 . 2]" 1
9 1 13 THR H 1 32 SER CB . 25.000 . 25.509 24.953 27.248 0.047 19 0 "[ . 1 . 2]" 1
10 1 13 THR H 1 41 ALA CB . 25.000 . 33.973 32.842 36.183 . 0 0 "[ . 1 . 2]" 1
11 1 13 THR H 1 55 SER CB . 25.000 . 29.487 27.751 30.775 . 0 0 "[ . 1 . 2]" 1
12 1 13 THR H 1 65 SER CB . 23.700 . 30.014 27.989 31.445 . 0 0 "[ . 1 . 2]" 1
13 1 13 THR H 1 78 SER CB . 20.930 28.930 22.422 21.118 23.922 . 0 0 "[ . 1 . 2]" 1
14 1 13 THR H 1 92 SER CB . 19.400 27.400 19.532 19.377 20.093 0.023 16 0 "[ . 1 . 2]" 1
15 1 13 THR H 1 105 SER CB . 24.680 . 26.370 25.693 26.713 . 0 0 "[ . 1 . 2]" 1
16 1 13 THR H 1 120 PRO CB . 22.880 . 40.076 39.585 40.980 . 0 0 "[ . 1 . 2]" 1
17 1 14 SER CB 1 25 GLY H . 9.200 17.200 10.853 9.765 12.397 . 0 0 "[ . 1 . 2]" 1
18 1 14 SER CB 1 26 TYR H . 9.060 17.060 11.709 10.240 13.936 . 0 0 "[ . 1 . 2]" 1
19 1 14 SER CB 1 27 ALA H . 11.040 19.040 14.197 12.703 16.237 . 0 0 "[ . 1 . 2]" 1
20 1 14 SER CB 1 29 LEU H . 13.820 21.820 15.571 14.271 17.479 . 0 0 "[ . 1 . 2]" 1
21 1 14 SER CB 1 30 VAL H . 11.760 19.760 17.432 15.866 19.692 . 0 0 "[ . 1 . 2]" 1
22 1 14 SER CB 1 31 ALA H . 16.800 24.800 19.531 18.222 21.523 . 0 0 "[ . 1 . 2]" 1
23 1 14 SER CB 1 32 SER H . 17.630 25.630 19.686 18.547 21.344 . 0 0 "[ . 1 . 2]" 1
24 1 14 SER H 1 32 SER CB . 19.340 27.340 21.947 20.677 23.727 . 0 0 "[ . 1 . 2]" 1
25 1 14 SER CB 1 34 GLY H . 19.790 27.790 22.473 21.400 24.206 . 0 0 "[ . 1 . 2]" 1
26 1 14 SER CB 1 37 GLY H . 22.350 . 25.661 24.639 27.234 . 0 0 "[ . 1 . 2]" 1
27 1 14 SER CB 1 39 VAL H . 21.650 . 29.283 28.262 30.775 . 0 0 "[ . 1 . 2]" 1
28 1 14 SER CB 1 40 LYS H . 22.980 . 28.867 27.894 30.228 . 0 0 "[ . 1 . 2]" 1
29 1 14 SER CB 1 41 ALA H . 23.890 . 30.231 29.440 31.378 . 0 0 "[ . 1 . 2]" 1
30 1 14 SER H 1 41 ALA CB . 25.000 . 30.627 28.745 32.940 . 0 0 "[ . 1 . 2]" 1
31 1 14 SER CB 1 42 GLY H . 20.820 . 29.880 28.487 31.755 . 0 0 "[ . 1 . 2]" 1
32 1 14 SER CB 1 43 SER H . 23.450 . 30.047 29.108 31.494 . 0 0 "[ . 1 . 2]" 1
33 1 14 SER CB 1 44 VAL H . 23.880 . 31.991 29.451 33.396 . 0 0 "[ . 1 . 2]" 1
34 1 14 SER CB 1 47 LEU H . 21.350 . 28.178 27.101 29.503 . 0 0 "[ . 1 . 2]" 1
35 1 14 SER CB 1 48 ALA H . 20.800 . 29.004 28.146 30.169 . 0 0 "[ . 1 . 2]" 1
36 1 14 SER CB 1 51 LEU H . 19.840 27.840 25.351 24.347 26.289 . 0 0 "[ . 1 . 2]" 1
37 1 14 SER CB 1 53 PHE H . 19.410 27.410 24.539 23.280 26.094 . 0 0 "[ . 1 . 2]" 1
38 1 14 SER CB 1 55 SER H . 21.390 29.390 22.743 21.560 23.660 . 0 0 "[ . 1 . 2]" 1
39 1 14 SER H 1 55 SER CB . 21.320 29.320 25.591 24.375 26.725 . 0 0 "[ . 1 . 2]" 1
40 1 14 SER CB 1 58 GLY H . 17.680 25.680 18.508 17.596 19.821 0.084 18 0 "[ . 1 . 2]" 1
41 1 14 SER CB 1 60 GLY H . 19.650 27.650 21.004 19.633 22.622 0.017 8 0 "[ . 1 . 2]" 1
42 1 14 SER CB 1 62 TYR H . 13.430 21.430 18.469 16.577 20.145 . 0 0 "[ . 1 . 2]" 1
43 1 14 SER CB 1 63 GLN H . 13.980 21.980 20.289 15.825 21.997 0.017 2 0 "[ . 1 . 2]" 1
44 1 14 SER CB 1 64 LEU H . 17.310 . 22.059 17.645 24.377 . 0 0 "[ . 1 . 2]" 1
45 1 14 SER CB 1 65 SER H . 16.350 24.350 23.291 21.246 24.416 0.066 14 0 "[ . 1 . 2]" 1
46 1 14 SER H 1 65 SER CB . 21.050 29.050 26.158 24.721 27.417 . 0 0 "[ . 1 . 2]" 1
47 1 14 SER CB 1 66 GLN H . 15.710 23.710 23.378 22.762 23.757 0.047 8 0 "[ . 1 . 2]" 1
48 1 14 SER CB 1 69 ARG H . 17.670 25.670 24.450 22.800 25.760 0.090 18 0 "[ . 1 . 2]" 1
49 1 14 SER CB 1 71 VAL H . 18.050 26.050 21.090 19.168 22.595 . 0 0 "[ . 1 . 2]" 1
50 1 14 SER CB 1 72 TRP H . 20.880 28.880 22.566 20.857 23.991 0.023 8 0 "[ . 1 . 2]" 1
51 1 14 SER CB 1 73 VAL H . 16.230 24.230 20.796 19.359 22.219 . 0 0 "[ . 1 . 2]" 1
52 1 14 SER CB 1 76 ALA H . 18.872 26.872 21.356 20.199 22.735 . 0 0 "[ . 1 . 2]" 1
53 1 14 SER CB 1 77 THR H . 18.120 26.120 19.115 18.101 20.333 0.019 14 0 "[ . 1 . 2]" 1
54 1 14 SER CB 1 78 SER H . 16.941 24.941 18.104 16.928 18.985 0.014 14 0 "[ . 1 . 2]" 1
55 1 14 SER H 1 78 SER CB . 17.210 25.210 19.630 17.341 21.590 . 0 0 "[ . 1 . 2]" 1
56 1 14 SER CB 1 79 GLY H . 14.989 . 20.446 19.291 21.581 . 0 0 "[ . 1 . 2]" 1
57 1 14 SER CB 1 80 THR H . 18.522 . 21.019 20.275 22.005 . 0 0 "[ . 1 . 2]" 1
58 1 14 SER CB 1 81 LEU H . 18.730 26.730 19.261 18.702 20.358 0.028 13 0 "[ . 1 . 2]" 1
59 1 14 SER CB 1 82 ALA H . 17.480 25.480 19.907 18.520 21.870 . 0 0 "[ . 1 . 2]" 1
60 1 14 SER CB 1 83 GLY H . 17.610 25.610 22.093 20.768 24.032 . 0 0 "[ . 1 . 2]" 1
61 1 14 SER CB 1 84 ILE H . 18.040 26.040 22.367 20.621 23.647 . 0 0 "[ . 1 . 2]" 1
62 1 14 SER CB 1 85 MET H . 15.940 23.940 22.220 18.227 23.941 0.001 7 0 "[ . 1 . 2]" 1
63 1 14 SER CB 1 92 SER H . 14.550 22.550 14.759 14.490 15.674 0.060 10 0 "[ . 1 . 2]" 1
64 1 14 SER H 1 92 SER CB . 15.330 23.330 17.495 16.532 18.487 . 0 0 "[ . 1 . 2]" 1
65 1 14 SER CB 1 95 PHE H . 13.240 21.240 13.382 13.195 14.255 0.045 15 0 "[ . 1 . 2]" 1
66 1 14 SER CB 1 98 ALA H . 8.280 16.280 10.983 9.448 13.422 . 0 0 "[ . 1 . 2]" 1
67 1 14 SER CB 1 99 GLY H . 8.910 16.910 12.657 12.158 14.007 . 0 0 "[ . 1 . 2]" 1
68 1 14 SER CB 1 102 ALA H . 10.632 18.632 17.179 16.591 17.530 . 0 0 "[ . 1 . 2]" 1
69 1 14 SER CB 1 105 SER H . 13.340 21.340 21.398 21.351 21.463 0.123 12 0 "[ . 1 . 2]" 1
70 1 14 SER H 1 105 SER CB . 18.650 26.650 24.504 23.313 25.437 . 0 0 "[ . 1 . 2]" 1
71 1 14 SER CB 1 109 VAL H . 19.550 27.550 26.387 25.862 26.874 . 0 0 "[ . 1 . 2]" 1
72 1 14 SER CB 1 114 VAL H . 15.790 . 31.755 30.956 32.675 . 0 0 "[ . 1 . 2]" 1
73 1 14 SER CB 1 115 SER H . 17.300 . 34.379 33.105 35.984 . 0 0 "[ . 1 . 2]" 1
74 1 14 SER CB 1 117 PHE H . 12.720 . 34.900 33.758 36.016 . 0 0 "[ . 1 . 2]" 1
75 1 14 SER CB 1 118 ASN H . 11.190 . 34.598 33.782 35.489 . 0 0 "[ . 1 . 2]" 1
76 1 14 SER CB 1 119 ARG H . 18.600 . 36.171 35.017 36.752 . 0 0 "[ . 1 . 2]" 1
77 1 14 SER H 1 120 PRO CB . 19.930 . 37.258 36.211 38.442 . 0 0 "[ . 1 . 2]" 1
78 1 14 SER CB 1 121 HIS H . 21.960 . 38.566 37.297 39.319 . 0 0 "[ . 1 . 2]" 1
79 1 15 SER H 1 41 ALA CB . 23.529 . 28.947 26.321 31.003 . 0 0 "[ . 1 . 2]" 1
80 1 15 SER H 1 55 SER CB . 19.713 . 24.361 22.878 25.521 . 0 0 "[ . 1 . 2]" 1
81 1 15 SER H 1 65 SER CB . 23.645 . 25.847 23.761 27.247 . 0 0 "[ . 1 . 2]" 1
82 1 15 SER H 1 78 SER CB . 18.080 26.080 18.861 18.069 21.012 0.011 9 0 "[ . 1 . 2]" 1
83 1 15 SER H 1 92 SER CB . 14.140 22.140 15.033 14.093 17.549 0.047 4 0 "[ . 1 . 2]" 1
84 1 15 SER H 1 105 SER CB . 18.380 26.380 21.878 19.977 24.464 . 0 0 "[ . 1 . 2]" 1
85 1 15 SER H 1 120 PRO CB . 17.970 . 34.847 32.928 37.296 . 0 0 "[ . 1 . 2]" 1
86 1 16 VAL H 1 55 SER CB . 15.630 23.630 22.359 20.560 23.647 0.017 16 0 "[ . 1 . 2]" 1
87 1 16 VAL H 1 92 SER CB . 6.680 14.680 13.376 12.263 14.676 . 0 0 "[ . 1 . 2]" 1
88 1 16 VAL H 1 105 SER CB . 16.610 24.610 20.954 18.583 23.472 . 0 0 "[ . 1 . 2]" 1
89 1 16 VAL H 1 120 PRO CB . 13.990 . 33.212 31.728 34.387 . 0 0 "[ . 1 . 2]" 1
90 1 17 VAL H 1 105 SER CB . 14.350 22.350 20.914 19.616 22.247 . 0 0 "[ . 1 . 2]" 1
91 1 17 VAL H 1 120 PRO CB . 17.180 . 32.377 30.903 34.213 . 0 0 "[ . 1 . 2]" 1
92 1 19 LEU H 1 78 SER CB . 13.650 19.650 18.248 17.186 19.574 . 0 0 "[ . 1 . 2]" 1
93 1 19 LEU H 1 92 SER CB . 8.070 . 20.096 19.293 21.009 . 0 0 "[ . 1 . 2]" 1
94 1 19 LEU H 1 105 SER CB . 21.480 29.480 27.128 25.991 27.973 . 0 0 "[ . 1 . 2]" 1
95 1 19 LEU H 1 120 PRO CB . 20.260 . 37.577 36.698 38.325 . 0 0 "[ . 1 . 2]" 1
96 1 20 HIS H 1 32 SER CB . 10.580 18.580 18.225 17.961 18.605 0.025 6 0 "[ . 1 . 2]" 1
97 1 20 HIS H 1 41 ALA CB . 23.730 29.730 28.067 27.210 29.567 . 0 0 "[ . 1 . 2]" 1
98 1 20 HIS H 1 55 SER CB . 14.917 20.917 20.938 20.580 21.009 0.092 9 0 "[ . 1 . 2]" 1
99 1 20 HIS H 1 65 SER CB . 18.944 24.944 19.042 18.883 19.577 0.061 19 0 "[ . 1 . 2]" 1
100 1 20 HIS H 1 78 SER CB . 14.653 20.653 18.427 17.353 20.093 . 0 0 "[ . 1 . 2]" 1
101 1 20 HIS H 1 92 SER CB . 15.780 21.780 21.355 20.545 21.802 0.022 12 0 "[ . 1 . 2]" 1
102 1 20 HIS H 1 105 SER CB . 18.210 . 28.037 27.469 28.588 . 0 0 "[ . 1 . 2]" 1
103 1 20 HIS H 1 120 PRO CB . 19.900 . 37.441 37.111 37.789 . 0 0 "[ . 1 . 2]" 1
104 1 21 TRP H 1 105 SER CB . 25.000 . 25.366 24.910 26.190 0.090 20 0 "[ . 1 . 2]" 1
105 1 21 TRP H 1 120 PRO CB . 25.000 . 34.283 33.950 34.708 . 0 0 "[ . 1 . 2]" 1
106 1 22 PHE H 1 32 SER CB . 10.694 16.694 14.747 14.399 15.170 . 0 0 "[ . 1 . 2]" 1
107 1 22 PHE H 1 41 ALA CB . 19.380 27.380 24.417 23.317 25.910 . 0 0 "[ . 1 . 2]" 1
108 1 22 PHE H 1 55 SER CB . 15.790 21.790 19.507 18.730 20.034 . 0 0 "[ . 1 . 2]" 1
109 1 22 PHE H 1 65 SER CB . 18.270 26.270 19.663 18.981 20.349 . 0 0 "[ . 1 . 2]" 1
110 1 22 PHE H 1 78 SER CB . 18.160 26.160 18.577 18.132 19.823 0.028 9 0 "[ . 1 . 2]" 1
111 1 22 PHE H 1 92 SER CB . 13.620 21.620 18.476 17.795 18.999 . 0 0 "[ . 1 . 2]" 1
112 1 22 PHE H 1 105 SER CB . 19.530 25.530 24.048 23.462 24.348 . 0 0 "[ . 1 . 2]" 1
113 1 22 PHE H 1 120 PRO CB . 25.000 . 34.089 33.642 34.586 . 0 0 "[ . 1 . 2]" 1
114 1 23 GLY H 1 32 SER CB . 10.519 16.520 13.950 13.647 14.246 . 0 0 "[ . 1 . 2]" 1
115 1 23 GLY H 1 41 ALA CB . 19.730 . 24.062 23.361 25.658 . 0 0 "[ . 1 . 2]" 1
116 1 23 GLY H 1 55 SER CB . 14.821 20.822 20.221 19.578 20.550 . 0 0 "[ . 1 . 2]" 1
117 1 23 GLY H 1 65 SER CB . 18.607 26.607 19.837 19.557 20.118 . 0 0 "[ . 1 . 2]" 1
118 1 23 GLY H 1 78 SER CB . 16.780 24.780 20.720 20.061 21.926 . 0 0 "[ . 1 . 2]" 1
119 1 23 GLY H 1 92 SER CB . 17.330 25.330 21.018 20.399 21.480 . 0 0 "[ . 1 . 2]" 1
120 1 23 GLY H 1 105 SER CB . 22.716 . 25.779 25.509 25.928 . 0 0 "[ . 1 . 2]" 1
121 1 23 GLY H 1 120 PRO CB . 25.000 . 35.351 34.963 35.700 . 0 0 "[ . 1 . 2]" 1
122 1 24 PHE H 1 105 SER CB . 22.857 . 24.920 24.519 25.403 . 0 0 "[ . 1 . 2]" 1
123 1 24 PHE H 1 120 PRO CB . 25.000 . 33.454 33.037 33.759 . 0 0 "[ . 1 . 2]" 1
124 1 25 GLY H 1 41 ALA CB . 17.670 23.670 20.132 19.446 21.733 . 0 0 "[ . 1 . 2]" 1
125 1 25 GLY H 1 55 SER CB . 14.535 22.535 17.645 16.766 18.252 . 0 0 "[ . 1 . 2]" 1
126 1 25 GLY H 1 65 SER CB . 18.880 26.880 18.955 18.846 19.211 0.034 18 0 "[ . 1 . 2]" 1
127 1 25 GLY H 1 78 SER CB . 18.986 26.986 20.315 19.720 21.216 . 0 0 "[ . 1 . 2]" 1
128 1 25 GLY H 1 92 SER CB . 17.910 23.910 18.972 18.356 19.518 . 0 0 "[ . 1 . 2]" 1
129 1 25 GLY H 1 105 SER CB . 20.856 . 22.627 22.382 22.986 . 0 0 "[ . 1 . 2]" 1
130 1 25 GLY H 1 120 PRO CB . 25.000 . 31.640 31.232 32.138 . 0 0 "[ . 1 . 2]" 1
131 1 26 TYR H 1 41 ALA CB . 15.750 21.750 19.772 19.067 21.402 . 0 0 "[ . 1 . 2]" 1
132 1 26 TYR H 1 55 SER CB . 15.900 21.900 19.717 18.840 20.339 . 0 0 "[ . 1 . 2]" 1
133 1 26 TYR H 1 65 SER CB . 20.827 . 21.201 21.019 21.444 . 0 0 "[ . 1 . 2]" 1
134 1 26 TYR H 1 78 SER CB . 18.917 24.917 22.810 22.259 23.831 . 0 0 "[ . 1 . 2]" 1
135 1 26 TYR H 1 92 SER CB . 18.666 24.666 20.442 19.885 21.208 . 0 0 "[ . 1 . 2]" 1
136 1 26 TYR H 1 105 SER CB . 22.938 . 23.036 22.906 23.455 0.033 6 0 "[ . 1 . 2]" 1
137 1 26 TYR H 1 120 PRO CB . 25.000 . 32.643 32.079 33.259 . 0 0 "[ . 1 . 2]" 1
138 1 27 ALA H 1 41 ALA CB . 17.560 23.560 19.310 18.709 20.811 . 0 0 "[ . 1 . 2]" 1
139 1 27 ALA H 1 55 SER CB . 16.972 22.972 19.805 19.020 20.539 . 0 0 "[ . 1 . 2]" 1
140 1 27 ALA H 1 65 SER CB . 20.607 26.607 20.822 20.564 21.516 0.043 20 0 "[ . 1 . 2]" 1
141 1 27 ALA H 1 78 SER CB . 18.678 26.678 24.197 23.560 25.290 . 0 0 "[ . 1 . 2]" 1
142 1 27 ALA H 1 92 SER CB . 20.587 . 22.648 21.994 23.295 . 0 0 "[ . 1 . 2]" 1
143 1 27 ALA H 1 105 SER CB . 22.572 . 24.824 24.495 25.211 . 0 0 "[ . 1 . 2]" 1
144 1 27 ALA H 1 120 PRO CB . 25.000 . 33.413 32.853 33.884 . 0 0 "[ . 1 . 2]" 1
145 1 29 LEU H 1 41 ALA CB . 12.420 18.420 15.665 14.724 17.270 . 0 0 "[ . 1 . 2]" 1
146 1 29 LEU H 1 55 SER CB . 14.885 20.885 18.815 18.105 19.309 . 0 0 "[ . 1 . 2]" 1
147 1 29 LEU H 1 65 SER CB . 20.573 . 21.543 20.859 21.994 . 0 0 "[ . 1 . 2]" 1
148 1 29 LEU H 1 78 SER CB . 18.817 26.817 24.698 24.137 25.342 . 0 0 "[ . 1 . 2]" 1
149 1 29 LEU H 1 92 SER CB . 20.707 28.707 21.289 20.833 21.928 . 0 0 "[ . 1 . 2]" 1
150 1 29 LEU H 1 105 SER CB . 20.680 26.680 21.980 21.615 22.496 . 0 0 "[ . 1 . 2]" 1
151 1 29 LEU H 1 120 PRO CB . 25.000 . 30.314 29.733 30.768 . 0 0 "[ . 1 . 2]" 1
152 1 30 VAL H 1 41 ALA CB . 12.520 18.520 15.599 14.788 17.004 . 0 0 "[ . 1 . 2]" 1
153 1 30 VAL H 1 55 SER CB . 16.896 22.896 20.963 20.446 21.510 . 0 0 "[ . 1 . 2]" 1
154 1 30 VAL H 1 65 SER CB . 20.788 26.788 23.554 22.877 24.410 . 0 0 "[ . 1 . 2]" 1
155 1 30 VAL H 1 78 SER CB . 20.883 . 27.305 26.720 28.057 . 0 0 "[ . 1 . 2]" 1
156 1 30 VAL H 1 92 SER CB . 20.933 . 23.580 23.049 24.196 . 0 0 "[ . 1 . 2]" 1
157 1 30 VAL H 1 105 SER CB . 22.958 . 23.397 22.997 23.838 . 0 0 "[ . 1 . 2]" 1
158 1 30 VAL H 1 120 PRO CB . 25.000 . 31.739 31.288 32.066 . 0 0 "[ . 1 . 2]" 1
159 1 31 ALA H 1 78 SER CB . 21.120 . 27.731 27.103 28.735 . 0 0 "[ . 1 . 2]" 1
160 1 31 ALA H 1 105 SER CB . 20.569 . 24.598 24.052 24.987 . 0 0 "[ . 1 . 2]" 1
161 1 31 ALA H 1 120 PRO CB . 23.330 . 31.403 31.147 31.752 . 0 0 "[ . 1 . 2]" 1
162 1 32 SER CB 1 41 ALA H . 10.960 16.960 11.233 10.964 11.576 . 0 0 "[ . 1 . 2]" 1
163 1 32 SER H 1 41 ALA CB . 7.480 13.480 12.191 11.621 13.506 0.026 10 0 "[ . 1 . 2]" 1
164 1 32 SER CB 1 42 GLY H . 5.620 11.620 11.363 10.245 11.698 0.078 15 0 "[ . 1 . 2]" 1
165 1 32 SER CB 1 43 SER H . 10.810 16.810 11.405 10.910 11.979 . 0 0 "[ . 1 . 2]" 1
166 1 32 SER CB 1 49 ALA H . 12.070 18.070 12.174 11.905 12.493 0.165 15 0 "[ . 1 . 2]" 1
167 1 32 SER CB 1 50 GLY H . 10.656 16.656 10.581 10.545 10.717 0.111 5 0 "[ . 1 . 2]" 1
168 1 32 SER CB 1 51 LEU H . 10.807 16.808 12.288 11.729 12.986 . 0 0 "[ . 1 . 2]" 1
169 1 32 SER CB 1 53 PHE H . 12.190 18.190 13.541 13.019 14.055 . 0 0 "[ . 1 . 2]" 1
170 1 32 SER CB 1 54 GLY H . 13.010 19.010 12.988 12.922 13.108 0.088 2 0 "[ . 1 . 2]" 1
171 1 32 SER CB 1 55 SER H . 10.880 16.879 15.247 14.944 15.741 . 0 0 "[ . 1 . 2]" 1
172 1 32 SER H 1 55 SER CB . 15.550 21.549 18.332 17.757 18.641 . 0 0 "[ . 1 . 2]" 1
173 1 32 SER CB 1 58 GLY H . 14.580 22.580 15.120 14.906 15.345 . 0 0 "[ . 1 . 2]" 1
174 1 32 SER CB 1 60 GLY H . 14.766 22.765 18.991 18.507 19.542 . 0 0 "[ . 1 . 2]" 1
175 1 32 SER CB 1 61 ALA H . 11.210 19.210 18.479 17.622 19.002 . 0 0 "[ . 1 . 2]" 1
176 1 32 SER CB 1 62 TYR H . 12.320 20.320 20.273 19.582 20.491 0.171 14 0 "[ . 1 . 2]" 1
177 1 32 SER CB 1 64 LEU H . 15.480 23.480 23.222 22.103 23.573 0.093 9 0 "[ . 1 . 2]" 1
178 1 32 SER CB 1 65 SER H . 16.802 24.802 23.444 22.160 24.816 0.014 11 0 "[ . 1 . 2]" 1
179 1 32 SER H 1 65 SER CB . 20.909 28.909 21.887 21.127 22.684 . 0 0 "[ . 1 . 2]" 1
180 1 32 SER CB 1 69 ARG H . 25.000 . 29.507 26.667 32.308 . 0 0 "[ . 1 . 2]" 1
181 1 32 SER CB 1 70 ASN H . 25.000 . 27.658 24.990 30.842 0.010 2 0 "[ . 1 . 2]" 1
182 1 32 SER CB 1 73 VAL H . 25.000 . 28.828 26.649 31.114 . 0 0 "[ . 1 . 2]" 1
183 1 32 SER CB 1 74 PHE H . 25.000 . 26.886 25.079 28.672 . 0 0 "[ . 1 . 2]" 1
184 1 32 SER CB 1 75 LEU H . 25.000 . 28.124 26.798 29.429 . 0 0 "[ . 1 . 2]" 1
185 1 32 SER CB 1 76 ALA H . 25.000 . 30.158 28.770 31.587 . 0 0 "[ . 1 . 2]" 1
186 1 32 SER CB 1 77 THR H . 25.000 . 29.044 27.527 30.425 . 0 0 "[ . 1 . 2]" 1
187 1 32 SER CB 1 78 SER H . 25.000 . 27.074 26.224 28.172 . 0 0 "[ . 1 . 2]" 1
188 1 32 SER H 1 78 SER CB . 21.970 29.970 26.758 26.202 27.545 . 0 0 "[ . 1 . 2]" 1
189 1 32 SER CB 1 79 GLY H . 25.000 . 29.264 28.694 29.893 . 0 0 "[ . 1 . 2]" 1
190 1 32 SER CB 1 80 THR H . 25.000 . 31.364 30.551 32.007 . 0 0 "[ . 1 . 2]" 1
191 1 32 SER CB 1 82 ALA H . 23.840 . 29.179 28.541 29.873 . 0 0 "[ . 1 . 2]" 1
192 1 32 SER CB 1 83 GLY H . 25.000 . 31.356 30.684 32.281 . 0 0 "[ . 1 . 2]" 1
193 1 32 SER CB 1 84 ILE H . 25.000 . 32.753 32.106 33.353 . 0 0 "[ . 1 . 2]" 1
194 1 32 SER CB 1 85 MET H . 25.000 . 31.819 31.066 32.717 . 0 0 "[ . 1 . 2]" 1
195 1 32 SER CB 1 91 HIS H . 18.620 26.620 24.011 21.869 25.485 . 0 0 "[ . 1 . 2]" 1
196 1 32 SER CB 1 92 SER H . 18.680 26.680 22.961 21.506 23.803 . 0 0 "[ . 1 . 2]" 1
197 1 32 SER H 1 92 SER CB . 21.780 29.780 23.164 22.638 23.722 . 0 0 "[ . 1 . 2]" 1
198 1 32 SER CB 1 95 PHE H . 19.130 27.130 20.597 19.119 22.238 0.011 4 0 "[ . 1 . 2]" 1
199 1 32 SER CB 1 99 GLY H . 13.770 19.770 14.773 13.734 16.761 0.036 15 0 "[ . 1 . 2]" 1
200 1 32 SER CB 1 101 ILE H . 13.510 19.510 18.136 16.735 18.862 . 0 0 "[ . 1 . 2]" 1
201 1 32 SER CB 1 102 ALA H . 12.556 18.556 18.221 17.263 18.594 0.038 20 0 "[ . 1 . 2]" 1
202 1 32 SER CB 1 104 ALA H . 14.830 20.830 15.692 15.255 16.174 . 0 0 "[ . 1 . 2]" 1
203 1 32 SER CB 1 105 SER H . 14.954 20.954 18.183 17.713 18.836 . 0 0 "[ . 1 . 2]" 1
204 1 32 SER H 1 105 SER CB . 18.549 24.549 22.387 21.925 22.945 . 0 0 "[ . 1 . 2]" 1
205 1 32 SER CB 1 106 LEU H . 12.610 18.610 16.941 16.464 17.562 . 0 0 "[ . 1 . 2]" 1
206 1 32 SER CB 1 108 MET H . 16.576 22.576 17.620 16.526 18.216 0.051 10 0 "[ . 1 . 2]" 1
207 1 32 SER CB 1 110 ALA H . 16.650 22.650 17.965 17.025 18.663 . 0 0 "[ . 1 . 2]" 1
208 1 32 SER CB 1 114 VAL H . 14.500 20.500 19.935 18.593 20.515 0.015 19 0 "[ . 1 . 2]" 1
209 1 32 SER CB 1 115 SER H . 14.860 20.860 20.517 19.474 20.886 0.026 20 0 "[ . 1 . 2]" 1
210 1 32 SER CB 1 117 PHE H . 13.910 21.910 21.486 20.189 22.013 0.103 4 0 "[ . 1 . 2]" 1
211 1 32 SER CB 1 119 ARG H . 17.590 25.590 25.666 25.339 25.745 0.155 20 0 "[ . 1 . 2]" 1
212 1 32 SER H 1 120 PRO CB . 25.000 . 28.690 28.476 28.958 . 0 0 "[ . 1 . 2]" 1
213 1 32 SER CB 1 121 HIS H . 21.060 29.060 28.650 27.591 29.093 0.033 5 0 "[ . 1 . 2]" 1
214 1 33 GLY H 1 55 SER CB . 16.647 24.647 20.161 19.640 20.665 . 0 0 "[ . 1 . 2]" 1
215 1 33 GLY H 1 65 SER CB . 20.743 28.743 24.592 23.962 25.361 . 0 0 "[ . 1 . 2]" 1
216 1 33 GLY H 1 78 SER CB . 20.533 28.533 28.379 28.006 28.616 0.083 18 0 "[ . 1 . 2]" 1
217 1 33 GLY H 1 92 SER CB . 22.916 . 22.964 22.817 23.533 0.099 18 0 "[ . 1 . 2]" 1
218 1 33 GLY H 1 105 SER CB . 20.802 28.802 20.731 20.658 20.802 0.144 19 0 "[ . 1 . 2]" 1
219 1 33 GLY H 1 120 PRO CB . 22.320 30.320 27.888 27.550 28.307 . 0 0 "[ . 1 . 2]" 1
220 1 34 GLY H 1 55 SER CB . 17.725 23.725 21.386 20.806 21.652 . 0 0 "[ . 1 . 2]" 1
221 1 34 GLY H 1 65 SER CB . 23.210 . 25.311 24.572 26.132 . 0 0 "[ . 1 . 2]" 1
222 1 34 GLY H 1 78 SER CB . 23.940 . 30.345 29.937 30.890 . 0 0 "[ . 1 . 2]" 1
223 1 34 GLY H 1 92 SER CB . 21.900 29.900 25.647 25.409 26.119 . 0 0 "[ . 1 . 2]" 1
224 1 34 GLY H 1 105 SER CB . 22.894 . 23.270 23.041 23.419 . 0 0 "[ . 1 . 2]" 1
225 1 34 GLY H 1 120 PRO CB . 21.430 29.430 29.502 29.450 29.605 0.175 15 0 "[ . 1 . 2]" 1
226 1 37 GLY H 1 55 SER CB . 18.767 24.767 22.270 21.915 22.504 . 0 0 "[ . 1 . 2]" 1
227 1 37 GLY H 1 65 SER CB . 19.830 27.830 27.292 26.477 27.894 0.064 6 0 "[ . 1 . 2]" 1
228 1 37 GLY H 1 78 SER CB . 21.450 . 32.427 32.160 32.586 . 0 0 "[ . 1 . 2]" 1
229 1 37 GLY H 1 92 SER CB . 21.500 29.500 26.696 26.509 27.324 . 0 0 "[ . 1 . 2]" 1
230 1 37 GLY H 1 105 SER CB . 22.738 . 22.698 22.666 22.770 0.072 12 0 "[ . 1 . 2]" 1
231 1 38 TYR H 1 105 SER CB . 19.550 27.550 25.051 24.703 25.275 . 0 0 "[ . 1 . 2]" 1
232 1 38 TYR H 1 120 PRO CB . 22.270 . 29.498 29.194 29.975 . 0 0 "[ . 1 . 2]" 1
233 1 39 VAL H 1 78 SER CB . 22.130 . 34.915 34.394 35.291 . 0 0 "[ . 1 . 2]" 1
234 1 39 VAL H 1 92 SER CB . 23.230 . 29.480 29.067 30.016 . 0 0 "[ . 1 . 2]" 1
235 1 39 VAL H 1 105 SER CB . 22.980 28.980 24.882 24.530 25.008 . 0 0 "[ . 1 . 2]" 1
236 1 40 LYS H 1 65 SER CB . 21.710 . 29.205 28.240 30.019 . 0 0 "[ . 1 . 2]" 1
237 1 40 LYS H 1 78 SER CB . 23.740 . 34.504 34.185 34.695 . 0 0 "[ . 1 . 2]" 1
238 1 40 LYS H 1 92 SER CB . 22.380 . 28.164 27.817 28.950 . 0 0 "[ . 1 . 2]" 1
239 1 40 LYS H 1 105 SER CB . 16.850 22.850 22.932 22.853 23.018 0.168 4 0 "[ . 1 . 2]" 1
240 1 40 LYS H 1 120 PRO CB . 18.820 26.820 25.982 25.655 26.612 . 0 0 "[ . 1 . 2]" 1
241 1 41 ALA CB 1 54 GLY H . 10.840 16.840 16.205 15.892 16.673 . 0 0 "[ . 1 . 2]" 1
242 1 41 ALA CB 1 55 SER H . 13.930 19.930 18.123 17.451 18.870 . 0 0 "[ . 1 . 2]" 1
243 1 41 ALA H 1 55 SER CB . 22.130 28.130 22.236 21.973 22.570 0.157 18 0 "[ . 1 . 2]" 1
244 1 41 ALA CB 1 58 GLY H . 15.460 21.460 20.493 19.877 21.470 0.010 10 0 "[ . 1 . 2]" 1
245 1 41 ALA CB 1 60 GLY H . 22.050 28.050 24.126 23.645 24.791 . 0 0 "[ . 1 . 2]" 1
246 1 41 ALA CB 1 62 TYR H . 21.500 . 26.339 25.271 27.341 . 0 0 "[ . 1 . 2]" 1
247 1 41 ALA CB 1 63 GLN H . 22.580 . 28.977 27.922 30.074 . 0 0 "[ . 1 . 2]" 1
248 1 41 ALA CB 1 66 GLN H . 21.530 . 29.973 27.562 31.935 . 0 0 "[ . 1 . 2]" 1
249 1 41 ALA CB 1 69 ARG H . 21.350 . 36.677 34.111 38.350 . 0 0 "[ . 1 . 2]" 1
250 1 41 ALA CB 1 70 ASN H . 25.000 . 35.253 32.771 37.428 . 0 0 "[ . 1 . 2]" 1
251 1 41 ALA CB 1 71 VAL H . 20.390 . 33.182 31.144 34.621 . 0 0 "[ . 1 . 2]" 1
252 1 41 ALA CB 1 72 TRP H . 22.360 . 35.351 33.585 36.666 . 0 0 "[ . 1 . 2]" 1
253 1 41 ALA CB 1 73 VAL H . 25.000 . 35.969 34.210 37.254 . 0 0 "[ . 1 . 2]" 1
254 1 41 ALA CB 1 75 LEU H . 24.200 . 34.458 33.237 35.258 . 0 0 "[ . 1 . 2]" 1
255 1 41 ALA CB 1 76 ALA H . 25.000 . 36.500 35.555 37.408 . 0 0 "[ . 1 . 2]" 1
256 1 41 ALA CB 1 77 THR H . 25.000 . 35.615 34.501 36.708 . 0 0 "[ . 1 . 2]" 1
257 1 41 ALA CB 1 78 SER H . 21.230 . 33.186 32.210 34.266 . 0 0 "[ . 1 . 2]" 1
258 1 41 ALA H 1 78 SER CB . 20.210 . 34.104 33.797 34.448 . 0 0 "[ . 1 . 2]" 1
259 1 41 ALA CB 1 79 GLY H . 25.000 . 34.935 34.112 36.035 . 0 0 "[ . 1 . 2]" 1
260 1 41 ALA CB 1 80 THR H . 25.000 . 37.067 36.259 38.422 . 0 0 "[ . 1 . 2]" 1
261 1 41 ALA CB 1 81 LEU H . 21.830 . 35.847 34.650 37.462 . 0 0 "[ . 1 . 2]" 1
262 1 41 ALA CB 1 82 ALA H . 25.000 . 34.211 33.248 35.456 . 0 0 "[ . 1 . 2]" 1
263 1 41 ALA CB 1 83 GLY H . 25.000 . 36.100 34.661 37.705 . 0 0 "[ . 1 . 2]" 1
264 1 41 ALA CB 1 84 ILE H . 25.000 . 37.446 36.193 39.531 . 0 0 "[ . 1 . 2]" 1
265 1 41 ALA CB 1 85 MET H . 21.220 . 36.013 34.634 37.825 . 0 0 "[ . 1 . 2]" 1
266 1 41 ALA CB 1 87 MET H . 23.510 . 32.679 30.314 34.070 . 0 0 "[ . 1 . 2]" 1
267 1 41 ALA CB 1 91 HIS H . 20.840 28.840 28.441 26.640 28.893 0.053 7 0 "[ . 1 . 2]" 1
268 1 41 ALA CB 1 92 SER H . 20.140 28.140 27.105 25.891 28.207 0.067 10 0 "[ . 1 . 2]" 1
269 1 41 ALA H 1 92 SER CB . 25.000 . 27.679 27.215 28.236 . 0 0 "[ . 1 . 2]" 1
270 1 41 ALA CB 1 93 GLY H . 21.300 . 26.811 24.925 28.139 . 0 0 "[ . 1 . 2]" 1
271 1 41 ALA CB 1 95 PHE H . 17.870 25.870 24.900 22.964 25.901 0.031 15 0 "[ . 1 . 2]" 1
272 1 41 ALA CB 1 98 ALA H . 17.550 25.550 20.839 17.807 23.703 . 0 0 "[ . 1 . 2]" 1
273 1 41 ALA CB 1 101 ILE H . 15.847 21.847 20.621 18.650 21.774 . 0 0 "[ . 1 . 2]" 1
274 1 41 ALA H 1 105 SER CB . 21.040 27.040 22.070 21.381 22.436 . 0 0 "[ . 1 . 2]" 1
275 1 41 ALA CB 1 106 LEU H . 12.040 18.040 16.261 15.584 17.687 . 0 0 "[ . 1 . 2]" 1
276 1 41 ALA CB 1 108 MET H . 8.643 14.643 14.652 14.492 14.742 0.099 10 0 "[ . 1 . 2]" 1
277 1 41 ALA CB 1 109 VAL H . 10.684 16.684 15.875 15.415 16.385 . 0 0 "[ . 1 . 2]" 1
278 1 41 ALA CB 1 114 VAL H . 10.330 16.330 13.189 11.592 14.200 . 0 0 "[ . 1 . 2]" 1
279 1 41 ALA CB 1 115 SER H . 10.693 16.692 12.032 10.811 12.880 . 0 0 "[ . 1 . 2]" 1
280 1 41 ALA CB 1 117 PHE H . 10.630 18.630 12.809 11.443 14.490 . 0 0 "[ . 1 . 2]" 1
281 1 41 ALA CB 1 118 ASN H . 10.370 18.370 15.200 13.881 18.328 . 0 0 "[ . 1 . 2]" 1
282 1 41 ALA CB 1 119 ARG H . 18.380 26.380 18.309 18.273 18.367 0.107 4 0 "[ . 1 . 2]" 1
283 1 41 ALA CB 1 121 HIS H . 16.090 24.090 21.602 20.341 23.024 . 0 0 "[ . 1 . 2]" 1
284 1 42 GLY H 1 55 SER CB . 18.970 26.970 19.723 18.788 21.346 0.182 19 0 "[ . 1 . 2]" 1
285 1 42 GLY H 1 65 SER CB . 21.090 . 26.674 25.186 28.541 . 0 0 "[ . 1 . 2]" 1
286 1 42 GLY H 1 78 SER CB . 21.970 . 32.119 30.943 33.938 . 0 0 "[ . 1 . 2]" 1
287 1 42 GLY H 1 92 SER CB . 20.500 . 26.371 25.190 28.339 . 0 0 "[ . 1 . 2]" 1
288 1 43 SER H 1 55 SER CB . 18.790 26.790 18.743 18.652 18.935 0.138 16 0 "[ . 1 . 2]" 1
289 1 43 SER H 1 65 SER CB . 21.730 . 25.434 24.418 26.257 . 0 0 "[ . 1 . 2]" 1
290 1 43 SER H 1 78 SER CB . 21.050 . 31.640 31.226 32.085 . 0 0 "[ . 1 . 2]" 1
291 1 43 SER H 1 92 SER CB . 18.740 26.740 26.784 26.443 26.877 0.137 9 0 "[ . 1 . 2]" 1
292 1 43 SER H 1 105 SER CB . 21.360 29.360 22.529 21.408 23.248 . 0 0 "[ . 1 . 2]" 1
293 1 43 SER H 1 120 PRO CB . 21.220 29.220 21.361 21.182 21.765 0.038 15 0 "[ . 1 . 2]" 1
294 1 44 VAL H 1 65 SER CB . 19.070 26.070 23.995 22.276 25.347 . 0 0 "[ . 1 . 2]" 1
295 1 44 VAL H 1 78 SER CB . 23.380 . 31.741 29.668 32.711 . 0 0 "[ . 1 . 2]" 1
296 1 44 VAL H 1 92 SER CB . 23.630 . 28.655 26.141 29.749 . 0 0 "[ . 1 . 2]" 1
297 1 44 VAL H 1 120 PRO CB . 20.710 28.710 22.122 20.661 22.593 0.049 15 0 "[ . 1 . 2]" 1
298 1 47 LEU H 1 55 SER CB . 11.280 17.280 14.531 14.379 14.667 . 0 0 "[ . 1 . 2]" 1
299 1 47 LEU H 1 65 SER CB . 19.520 25.520 20.775 19.768 21.547 . 0 0 "[ . 1 . 2]" 1
300 1 47 LEU H 1 78 SER CB . 22.520 . 28.025 27.499 28.400 . 0 0 "[ . 1 . 2]" 1
301 1 47 LEU H 1 92 SER CB . 21.780 . 25.315 24.392 25.744 . 0 0 "[ . 1 . 2]" 1
302 1 47 LEU H 1 120 PRO CB . 18.790 26.790 21.600 20.796 22.309 . 0 0 "[ . 1 . 2]" 1
303 1 48 ALA H 1 65 SER CB . 14.380 22.380 19.245 18.231 19.982 . 0 0 "[ . 1 . 2]" 1
304 1 48 ALA H 1 78 SER CB . 20.560 . 27.034 26.588 27.292 . 0 0 "[ . 1 . 2]" 1
305 1 48 ALA H 1 92 SER CB . 17.930 25.930 25.411 24.997 25.812 . 0 0 "[ . 1 . 2]" 1
306 1 48 ALA H 1 105 SER CB . 21.880 27.880 24.060 23.174 24.572 . 0 0 "[ . 1 . 2]" 1
307 1 48 ALA H 1 120 PRO CB . 20.956 . 20.911 20.837 20.946 0.119 18 0 "[ . 1 . 2]" 1
308 1 49 ALA H 1 65 SER CB . 13.410 19.410 17.170 16.136 17.915 . 0 0 "[ . 1 . 2]" 1
309 1 49 ALA H 1 78 SER CB . 22.950 28.950 25.798 25.500 26.049 . 0 0 "[ . 1 . 2]" 1
310 1 49 ALA H 1 92 SER CB . 20.622 . 25.310 24.975 25.648 . 0 0 "[ . 1 . 2]" 1
311 1 49 ALA H 1 120 PRO CB . 20.697 . 22.946 22.866 23.084 . 0 0 "[ . 1 . 2]" 1
312 1 50 GLY H 1 65 SER CB . 12.760 18.760 16.288 15.276 17.071 . 0 0 "[ . 1 . 2]" 1
313 1 50 GLY H 1 78 SER CB . 22.900 28.900 23.843 23.592 24.101 . 0 0 "[ . 1 . 2]" 1
314 1 50 GLY H 1 92 SER CB . 20.736 . 22.963 22.470 23.326 . 0 0 "[ . 1 . 2]" 1
315 1 50 GLY H 1 120 PRO CB . 20.741 . 22.224 21.744 22.692 . 0 0 "[ . 1 . 2]" 1
316 1 51 LEU H 1 78 SER CB . 21.300 27.300 22.257 21.871 22.452 . 0 0 "[ . 1 . 2]" 1
317 1 51 LEU H 1 120 PRO CB . 20.695 . 20.625 20.563 20.679 0.133 15 0 "[ . 1 . 2]" 1
318 1 53 PHE H 1 65 SER CB . 5.670 13.670 11.481 10.526 12.215 . 0 0 "[ . 1 . 2]" 1
319 1 53 PHE H 1 78 SER CB . 13.700 21.700 20.687 20.345 20.946 . 0 0 "[ . 1 . 2]" 1
320 1 53 PHE H 1 92 SER CB . 20.260 28.260 22.943 22.719 23.312 . 0 0 "[ . 1 . 2]" 1
321 1 53 PHE H 1 105 SER CB . 22.533 . 25.312 24.831 25.870 . 0 0 "[ . 1 . 2]" 1
322 1 53 PHE H 1 120 PRO CB . 20.785 . 24.316 23.932 24.709 . 0 0 "[ . 1 . 2]" 1
323 1 54 GLY H 1 78 SER CB . 11.350 19.350 18.704 18.394 18.931 . 0 0 "[ . 1 . 2]" 1
324 1 54 GLY H 1 92 SER CB . 18.502 26.502 20.333 20.039 20.685 . 0 0 "[ . 1 . 2]" 1
325 1 54 GLY H 1 105 SER CB . 22.803 . 23.075 22.783 23.592 0.020 4 0 "[ . 1 . 2]" 1
326 1 54 GLY H 1 120 PRO CB . 22.830 . 22.811 22.731 22.918 0.099 12 0 "[ . 1 . 2]" 1
327 1 55 SER H 1 65 SER CB . 6.160 14.160 10.494 9.607 11.327 . 0 0 "[ . 1 . 2]" 1
328 1 55 SER CB 1 66 GLN H . 9.890 15.890 12.662 11.867 14.023 . 0 0 "[ . 1 . 2]" 1
329 1 55 SER CB 1 69 ARG H . 13.360 19.360 19.337 18.943 19.426 0.066 19 0 "[ . 1 . 2]" 1
330 1 55 SER CB 1 70 ASN H . 18.320 24.320 18.661 18.285 19.110 0.035 5 0 "[ . 1 . 2]" 1
331 1 55 SER CB 1 73 VAL H . 15.450 21.450 18.548 18.167 18.982 . 0 0 "[ . 1 . 2]" 1
332 1 55 SER CB 1 75 LEU H . 14.740 20.740 16.352 15.556 16.922 . 0 0 "[ . 1 . 2]" 1
333 1 55 SER CB 1 76 ALA H . 17.580 23.580 18.573 17.588 19.318 . 0 0 "[ . 1 . 2]" 1
334 1 55 SER CB 1 77 THR H . 17.770 25.770 18.607 17.757 18.900 0.013 18 0 "[ . 1 . 2]" 1
335 1 55 SER CB 1 78 SER H . 11.400 19.400 16.436 15.574 16.715 . 0 0 "[ . 1 . 2]" 1
336 1 55 SER H 1 78 SER CB . 8.512 16.513 16.458 15.924 16.579 0.066 15 0 "[ . 1 . 2]" 1
337 1 55 SER CB 1 79 GLY H . 14.651 22.651 17.566 16.866 18.091 . 0 0 "[ . 1 . 2]" 1
338 1 55 SER CB 1 80 THR H . 14.310 22.310 20.231 19.488 20.715 . 0 0 "[ . 1 . 2]" 1
339 1 55 SER CB 1 83 GLY H . 17.520 25.520 19.822 18.588 21.215 . 0 0 "[ . 1 . 2]" 1
340 1 55 SER CB 1 84 ILE H . 14.780 22.780 22.081 20.889 22.702 . 0 0 "[ . 1 . 2]" 1
341 1 55 SER CB 1 85 MET H . 18.020 26.020 21.450 20.474 22.673 . 0 0 "[ . 1 . 2]" 1
342 1 55 SER CB 1 87 MET H . 16.700 24.700 18.539 16.764 22.245 . 0 0 "[ . 1 . 2]" 1
343 1 55 SER CB 1 91 HIS H . 12.490 20.490 18.333 16.714 19.444 . 0 0 "[ . 1 . 2]" 1
344 1 55 SER CB 1 92 SER H . 12.781 20.781 19.950 18.172 20.817 0.035 3 0 "[ . 1 . 2]" 1
345 1 55 SER H 1 92 SER CB . 17.120 25.120 18.950 18.455 19.450 . 0 0 "[ . 1 . 2]" 1
346 1 55 SER CB 1 95 PHE H . 14.763 22.763 22.419 15.872 22.850 0.087 12 0 "[ . 1 . 2]" 1
347 1 55 SER CB 1 99 GLY H . 11.590 19.590 19.325 17.978 19.640 0.050 19 0 "[ . 1 . 2]" 1
348 1 55 SER CB 1 101 ILE H . 13.350 19.350 18.871 17.574 19.379 0.029 6 0 "[ . 1 . 2]" 1
349 1 55 SER CB 1 104 ALA H . 16.906 22.906 18.824 17.962 19.449 . 0 0 "[ . 1 . 2]" 1
350 1 55 SER CB 1 105 SER H . 17.597 23.597 21.074 20.213 21.787 . 0 0 "[ . 1 . 2]" 1
351 1 55 SER H 1 105 SER CB . 20.952 . 22.689 22.110 23.127 . 0 0 "[ . 1 . 2]" 1
352 1 55 SER CB 1 106 LEU H . 16.709 22.709 22.101 21.426 22.714 0.004 16 0 "[ . 1 . 2]" 1
353 1 55 SER CB 1 108 MET H . 17.864 23.864 21.409 20.323 22.793 . 0 0 "[ . 1 . 2]" 1
354 1 55 SER CB 1 109 VAL H . 19.681 25.681 24.171 23.174 25.540 . 0 0 "[ . 1 . 2]" 1
355 1 55 SER CB 1 110 ALA H . 20.910 28.910 24.686 23.876 25.970 . 0 0 "[ . 1 . 2]" 1
356 1 55 SER CB 1 114 VAL H . 22.320 . 27.885 25.981 29.540 . 0 0 "[ . 1 . 2]" 1
357 1 55 SER CB 1 115 SER H . 20.510 . 28.157 26.921 29.882 . 0 0 "[ . 1 . 2]" 1
358 1 55 SER CB 1 117 PHE H . 23.590 . 24.694 23.560 26.924 0.030 5 0 "[ . 1 . 2]" 1
359 1 55 SER CB 1 118 ASN H . 22.910 . 24.071 22.929 26.024 . 0 0 "[ . 1 . 2]" 1
360 1 55 SER CB 1 119 ARG H . 24.880 . 25.350 24.793 26.207 0.087 20 0 "[ . 1 . 2]" 1
361 1 55 SER CB 1 121 HIS H . 24.420 . 25.094 24.408 26.294 0.012 2 0 "[ . 1 . 2]" 1
362 1 58 GLY H 1 78 SER CB . 7.970 15.970 13.101 12.870 13.408 . 0 0 "[ . 1 . 2]" 1
363 1 58 GLY H 1 92 SER CB . 9.100 17.100 17.200 17.129 17.263 0.163 18 0 "[ . 1 . 2]" 1
364 1 58 GLY H 1 105 SER CB . 22.705 . 22.879 22.670 23.474 0.036 12 0 "[ . 1 . 2]" 1
365 1 58 GLY H 1 120 PRO CB . 23.610 . 25.100 24.692 25.491 . 0 0 "[ . 1 . 2]" 1
366 1 59 LEU H 1 92 SER CB . 17.460 25.460 17.395 17.280 17.491 0.180 14 0 "[ . 1 . 2]" 1
367 1 60 GLY H 1 78 SER CB . 6.870 14.870 12.230 11.941 12.573 . 0 0 "[ . 1 . 2]" 1
368 1 60 GLY H 1 92 SER CB . 18.649 26.649 20.011 19.754 20.324 . 0 0 "[ . 1 . 2]" 1
369 1 60 GLY H 1 105 SER CB . 22.749 . 26.627 26.361 27.342 . 0 0 "[ . 1 . 2]" 1
370 1 60 GLY H 1 120 PRO CB . 19.280 27.280 27.411 27.353 27.494 0.214 6 0 "[ . 1 . 2]" 1
371 1 61 ALA H 1 78 SER CB . 8.430 16.430 11.588 10.884 12.598 . 0 0 "[ . 1 . 2]" 1
372 1 61 ALA H 1 105 SER CB . 22.979 . 26.818 26.315 27.442 . 0 0 "[ . 1 . 2]" 1
373 1 62 TYR H 1 78 SER CB . 8.744 16.744 9.087 8.675 10.064 0.069 2 0 "[ . 1 . 2]" 1
374 1 62 TYR H 1 92 SER CB . 18.628 26.628 18.577 18.472 18.702 0.156 18 0 "[ . 1 . 2]" 1
375 1 62 TYR H 1 105 SER CB . 22.820 . 26.608 26.301 27.213 . 0 0 "[ . 1 . 2]" 1
376 1 62 TYR H 1 120 PRO CB . 19.220 . 29.157 28.936 29.534 . 0 0 "[ . 1 . 2]" 1
377 1 63 GLN H 1 78 SER CB . 8.578 16.578 9.039 8.535 10.341 0.043 2 0 "[ . 1 . 2]" 1
378 1 63 GLN H 1 92 SER CB . 19.970 25.970 20.629 19.957 21.139 0.013 2 0 "[ . 1 . 2]" 1
379 1 63 GLN H 1 105 SER CB . 19.880 . 29.131 28.163 29.980 . 0 0 "[ . 1 . 2]" 1
380 1 63 GLN H 1 120 PRO CB . 25.000 . 31.056 29.420 33.058 . 0 0 "[ . 1 . 2]" 1
381 1 64 LEU H 1 78 SER CB . 6.980 12.980 11.028 9.469 12.047 . 0 0 "[ . 1 . 2]" 1
382 1 64 LEU H 1 92 SER CB . 20.530 28.530 22.251 21.198 22.959 . 0 0 "[ . 1 . 2]" 1
383 1 64 LEU H 1 105 SER CB . 23.770 . 30.230 29.062 31.050 . 0 0 "[ . 1 . 2]" 1
384 1 64 LEU H 1 120 PRO CB . 25.000 . 31.191 29.196 33.047 . 0 0 "[ . 1 . 2]" 1
385 1 65 SER CB 1 69 ARG H . 5.480 13.480 10.973 10.156 11.974 . 0 0 "[ . 1 . 2]" 1
386 1 65 SER CB 1 75 LEU H . 7.250 15.250 12.273 11.731 12.834 . 0 0 "[ . 1 . 2]" 1
387 1 65 SER CB 1 76 ALA H . 8.740 16.740 14.863 14.294 15.457 . 0 0 "[ . 1 . 2]" 1
388 1 65 SER CB 1 77 THR H . 11.360 19.360 15.710 14.703 16.599 . 0 0 "[ . 1 . 2]" 1
389 1 65 SER CB 1 78 SER H . 12.873 20.874 15.076 14.116 16.050 . 0 0 "[ . 1 . 2]" 1
390 1 65 SER H 1 78 SER CB . 7.810 15.810 13.326 12.377 14.714 . 0 0 "[ . 1 . 2]" 1
391 1 65 SER CB 1 79 GLY H . 15.991 23.990 16.238 15.967 17.008 0.024 12 0 "[ . 1 . 2]" 1
392 1 65 SER CB 1 80 THR H . 18.290 26.290 19.099 18.560 19.732 . 0 0 "[ . 1 . 2]" 1
393 1 65 SER CB 1 87 MET H . 14.680 22.680 22.680 22.539 22.727 0.047 2 0 "[ . 1 . 2]" 1
394 1 65 SER CB 1 91 HIS H . 20.440 28.440 22.572 20.695 24.792 . 0 0 "[ . 1 . 2]" 1
395 1 65 SER H 1 92 SER CB . 17.770 25.770 24.497 22.993 25.906 0.136 14 0 "[ . 1 . 2]" 1
396 1 65 SER CB 1 98 ALA H . 22.960 . 25.188 22.946 27.091 0.014 7 0 "[ . 1 . 2]" 1
397 1 65 SER CB 1 99 GLY H . 19.820 27.820 25.072 24.027 25.989 . 0 0 "[ . 1 . 2]" 1
398 1 65 SER CB 1 101 ILE H . 19.940 27.940 25.804 24.654 26.793 . 0 0 "[ . 1 . 2]" 1
399 1 65 SER CB 1 102 ALA H . 21.100 29.100 28.021 27.126 29.104 0.004 8 0 "[ . 1 . 2]" 1
400 1 65 SER H 1 105 SER CB . 25.000 . 32.085 30.542 33.371 . 0 0 "[ . 1 . 2]" 1
401 1 65 SER CB 1 106 LEU H . 24.130 . 30.111 28.948 31.095 . 0 0 "[ . 1 . 2]" 1
402 1 65 SER CB 1 108 MET H . 25.000 . 30.152 28.668 31.531 . 0 0 "[ . 1 . 2]" 1
403 1 65 SER CB 1 109 VAL H . 25.000 . 32.859 31.459 34.173 . 0 0 "[ . 1 . 2]" 1
404 1 65 SER CB 1 110 ALA H . 25.000 . 33.228 31.658 34.540 . 0 0 "[ . 1 . 2]" 1
405 1 65 SER CB 1 114 VAL H . 23.380 . 36.581 34.714 38.261 . 0 0 "[ . 1 . 2]" 1
406 1 65 SER CB 1 115 SER H . 22.170 . 36.889 35.032 38.707 . 0 0 "[ . 1 . 2]" 1
407 1 65 SER CB 1 117 PHE H . 22.260 . 33.949 32.279 36.263 . 0 0 "[ . 1 . 2]" 1
408 1 65 SER CB 1 118 ASN H . 23.930 . 33.574 31.863 35.170 . 0 0 "[ . 1 . 2]" 1
409 1 65 SER CB 1 119 ARG H . 21.770 . 34.965 33.682 35.886 . 0 0 "[ . 1 . 2]" 1
410 1 65 SER CB 1 121 HIS H . 25.000 . 34.636 33.266 35.445 . 0 0 "[ . 1 . 2]" 1
411 1 66 GLN H 1 78 SER CB . 13.030 19.030 14.558 13.584 16.862 . 0 0 "[ . 1 . 2]" 1
412 1 66 GLN H 1 92 SER CB . 20.587 . 25.776 24.514 27.479 . 0 0 "[ . 1 . 2]" 1
413 1 66 GLN H 1 105 SER CB . 24.450 . 33.317 31.915 34.710 . 0 0 "[ . 1 . 2]" 1
414 1 69 ARG H 1 78 SER CB . 15.310 21.310 15.252 15.174 15.295 0.136 13 0 "[ . 1 . 2]" 1
415 1 69 ARG H 1 92 SER CB . 22.774 . 28.862 28.075 29.770 . 0 0 "[ . 1 . 2]" 1
416 1 69 ARG H 1 105 SER CB . 25.000 . 37.941 36.866 38.935 . 0 0 "[ . 1 . 2]" 1
417 1 69 ARG H 1 120 PRO CB . 21.510 . 40.338 39.227 41.072 . 0 0 "[ . 1 . 2]" 1
418 1 70 ASN H 1 78 SER CB . 11.660 17.660 13.692 13.480 13.832 . 0 0 "[ . 1 . 2]" 1
419 1 70 ASN H 1 92 SER CB . 25.000 . 26.673 25.614 27.685 . 0 0 "[ . 1 . 2]" 1
420 1 70 ASN H 1 105 SER CB . 25.000 . 35.851 34.434 37.065 . 0 0 "[ . 1 . 2]" 1
421 1 70 ASN H 1 120 PRO CB . 24.350 . 39.369 38.637 39.937 . 0 0 "[ . 1 . 2]" 1
422 1 71 VAL H 1 105 SER CB . 25.000 . 33.602 32.778 34.718 . 0 0 "[ . 1 . 2]" 1
423 1 71 VAL H 1 120 PRO CB . 25.000 . 36.458 35.772 36.880 . 0 0 "[ . 1 . 2]" 1
424 1 72 TRP H 1 92 SER CB . 24.680 . 25.102 24.646 25.977 0.034 2 0 "[ . 1 . 2]" 1
425 1 72 TRP H 1 105 SER CB . 25.000 . 34.714 34.210 35.609 . 0 0 "[ . 1 . 2]" 1
426 1 72 TRP H 1 120 PRO CB . 25.000 . 37.211 35.692 38.173 . 0 0 "[ . 1 . 2]" 1
427 1 73 VAL H 1 92 SER CB . 20.684 . 24.162 23.414 25.085 . 0 0 "[ . 1 . 2]" 1
428 1 73 VAL H 1 105 SER CB . 25.000 . 34.212 33.343 35.142 . 0 0 "[ . 1 . 2]" 1
429 1 73 VAL H 1 120 PRO CB . 25.000 . 37.887 36.679 38.587 . 0 0 "[ . 1 . 2]" 1
430 1 74 PHE H 1 105 SER CB . 25.000 . 31.577 30.885 32.393 . 0 0 "[ . 1 . 2]" 1
431 1 74 PHE H 1 120 PRO CB . 25.000 . 35.354 34.161 36.007 . 0 0 "[ . 1 . 2]" 1
432 1 75 LEU H 1 92 SER CB . 20.778 28.778 21.444 21.119 22.114 . 0 0 "[ . 1 . 2]" 1
433 1 75 LEU H 1 105 SER CB . 25.000 . 31.646 31.085 32.208 . 0 0 "[ . 1 . 2]" 1
434 1 75 LEU H 1 120 PRO CB . 25.000 . 34.643 32.925 35.905 . 0 0 "[ . 1 . 2]" 1
435 1 76 ALA H 1 92 SER CB . 19.200 27.200 21.824 21.136 22.394 . 0 0 "[ . 1 . 2]" 1
436 1 76 ALA H 1 105 SER CB . 25.000 . 32.511 31.545 32.983 . 0 0 "[ . 1 . 2]" 1
437 1 76 ALA H 1 120 PRO CB . 22.340 . 35.881 33.823 37.436 . 0 0 "[ . 1 . 2]" 1
438 1 77 THR H 1 92 SER CB . 19.340 27.340 19.941 19.507 20.452 . 0 0 "[ . 1 . 2]" 1
439 1 77 THR H 1 105 SER CB . 25.000 . 30.829 30.328 31.397 . 0 0 "[ . 1 . 2]" 1
440 1 77 THR H 1 120 PRO CB . 25.000 . 35.281 33.722 36.543 . 0 0 "[ . 1 . 2]" 1
441 1 78 SER CB 1 87 MET H . 11.861 19.861 11.846 11.811 11.933 0.050 2 0 "[ . 1 . 2]" 1
442 1 78 SER CB 1 92 SER H . 12.810 20.810 14.250 12.984 15.512 . 0 0 "[ . 1 . 2]" 1
443 1 78 SER H 1 92 SER CB . 16.950 24.950 17.141 16.905 17.519 0.045 15 0 "[ . 1 . 2]" 1
444 1 78 SER CB 1 98 ALA H . 13.990 21.990 19.632 16.884 21.993 0.003 18 0 "[ . 1 . 2]" 1
445 1 78 SER CB 1 99 GLY H . 12.641 20.640 19.768 18.174 20.648 0.008 2 0 "[ . 1 . 2]" 1
446 1 78 SER CB 1 101 ILE H . 14.590 20.590 18.989 18.430 19.718 . 0 0 "[ . 1 . 2]" 1
447 1 78 SER CB 1 102 ALA H . 19.230 25.230 21.491 21.016 22.039 . 0 0 "[ . 1 . 2]" 1
448 1 78 SER CB 1 103 GLY H . 22.440 28.440 22.604 22.374 23.234 0.066 19 0 "[ . 1 . 2]" 1
449 1 78 SER CB 1 104 ALA H . 20.817 26.817 22.120 21.580 22.663 . 0 0 "[ . 1 . 2]" 1
450 1 78 SER CB 1 105 SER H . 20.220 26.220 24.079 23.368 24.861 . 0 0 "[ . 1 . 2]" 1
451 1 78 SER H 1 105 SER CB . 22.530 28.530 27.948 27.416 28.350 . 0 0 "[ . 1 . 2]" 1
452 1 78 SER CB 1 106 LEU H . 24.170 . 25.957 25.396 26.491 . 0 0 "[ . 1 . 2]" 1
453 1 78 SER CB 1 108 MET H . 23.140 29.140 27.082 25.930 28.199 . 0 0 "[ . 1 . 2]" 1
454 1 78 SER CB 1 109 VAL H . 22.390 . 29.451 28.375 30.479 . 0 0 "[ . 1 . 2]" 1
455 1 78 SER CB 1 110 ALA H . 23.540 . 30.801 29.926 31.628 . 0 0 "[ . 1 . 2]" 1
456 1 78 SER CB 1 114 VAL H . 21.080 . 35.847 34.192 36.668 . 0 0 "[ . 1 . 2]" 1
457 1 78 SER CB 1 115 SER H . 24.240 . 37.585 36.105 38.655 . 0 0 "[ . 1 . 2]" 1
458 1 78 SER CB 1 117 PHE H . 20.280 . 34.793 33.423 36.246 . 0 0 "[ . 1 . 2]" 1
459 1 78 SER CB 1 118 ASN H . 21.680 . 33.283 32.156 34.874 . 0 0 "[ . 1 . 2]" 1
460 1 78 SER CB 1 119 ARG H . 23.420 . 33.814 32.565 35.006 . 0 0 "[ . 1 . 2]" 1
461 1 78 SER H 1 120 PRO CB . 25.000 . 32.314 30.896 33.589 . 0 0 "[ . 1 . 2]" 1
462 1 78 SER CB 1 121 HIS H . 23.860 . 33.616 32.146 34.700 . 0 0 "[ . 1 . 2]" 1
463 1 79 GLY H 1 92 SER CB . 15.410 23.410 18.243 17.330 18.974 . 0 0 "[ . 1 . 2]" 1
464 1 79 GLY H 1 105 SER CB . 25.000 . 29.181 27.793 30.070 . 0 0 "[ . 1 . 2]" 1
465 1 79 GLY H 1 120 PRO CB . 25.000 . 32.725 30.700 34.603 . 0 0 "[ . 1 . 2]" 1
466 1 80 THR H 1 92 SER CB . 12.570 20.570 18.673 17.854 19.852 . 0 0 "[ . 1 . 2]" 1
467 1 80 THR H 1 105 SER CB . 25.000 . 29.999 28.745 31.189 . 0 0 "[ . 1 . 2]" 1
468 1 80 THR H 1 120 PRO CB . 25.000 . 34.157 31.925 36.181 . 0 0 "[ . 1 . 2]" 1
469 1 81 LEU H 1 105 SER CB . 24.860 . 27.972 26.442 29.317 . 0 0 "[ . 1 . 2]" 1
470 1 81 LEU H 1 120 PRO CB . 24.220 . 33.034 31.173 34.787 . 0 0 "[ . 1 . 2]" 1
471 1 82 ALA H 1 105 SER CB . 25.000 . 26.139 24.962 27.929 0.038 13 0 "[ . 1 . 2]" 1
472 1 82 ALA H 1 120 PRO CB . 22.470 . 30.417 28.586 32.233 . 0 0 "[ . 1 . 2]" 1
473 1 83 GLY H 1 105 SER CB . 25.000 . 27.668 25.961 29.738 . 0 0 "[ . 1 . 2]" 1
474 1 83 GLY H 1 120 PRO CB . 20.750 . 31.252 28.621 33.895 . 0 0 "[ . 1 . 2]" 1
475 1 84 ILE H 1 105 SER CB . 25.000 . 27.641 25.840 29.226 . 0 0 "[ . 1 . 2]" 1
476 1 84 ILE H 1 120 PRO CB . 25.000 . 32.021 29.392 34.301 . 0 0 "[ . 1 . 2]" 1
477 1 85 MET H 1 105 SER CB . 23.870 29.870 25.552 23.867 26.856 0.003 13 0 "[ . 1 . 2]" 1
478 1 85 MET H 1 120 PRO CB . 25.000 . 29.893 26.719 32.361 . 0 0 "[ . 1 . 2]" 1
479 1 87 MET H 1 92 SER CB . 11.960 19.960 14.040 12.253 15.075 . 0 0 "[ . 1 . 2]" 1
480 1 87 MET H 1 105 SER CB . 17.950 23.950 23.183 21.336 23.946 . 0 0 "[ . 1 . 2]" 1
481 1 87 MET H 1 120 PRO CB . 17.830 . 24.452 20.276 33.450 . 0 0 "[ . 1 . 2]" 1
482 1 91 HIS H 1 105 SER CB . 17.020 23.020 17.305 17.007 17.829 0.013 8 0 "[ . 1 . 2]" 1
483 1 91 HIS H 1 120 PRO CB . 25.000 . 25.465 24.955 26.860 0.045 7 0 "[ . 1 . 2]" 1
484 1 92 SER CB 1 104 ALA H . 7.860 13.860 9.311 8.763 10.275 . 0 0 "[ . 1 . 2]" 1
485 1 92 SER CB 1 105 SER H . 7.530 13.530 10.224 9.770 11.094 . 0 0 "[ . 1 . 2]" 1
486 1 92 SER H 1 105 SER CB . 11.930 17.930 14.360 13.753 15.198 . 0 0 "[ . 1 . 2]" 1
487 1 92 SER CB 1 108 MET H . 11.280 17.280 14.502 13.945 15.469 . 0 0 "[ . 1 . 2]" 1
488 1 92 SER CB 1 109 VAL H . 15.590 21.590 16.112 15.576 16.986 0.014 14 0 "[ . 1 . 2]" 1
489 1 92 SER CB 1 110 ALA H . 14.780 20.780 17.900 17.296 18.684 . 0 0 "[ . 1 . 2]" 1
490 1 92 SER CB 1 114 VAL H . 21.480 27.480 23.688 22.534 24.632 . 0 0 "[ . 1 . 2]" 1
491 1 92 SER CB 1 115 SER H . 25.000 . 26.516 24.982 27.580 0.018 18 0 "[ . 1 . 2]" 1
492 1 92 SER CB 1 117 PHE H . 24.370 . 25.019 24.295 25.725 0.075 4 0 "[ . 1 . 2]" 1
493 1 92 SER CB 1 118 ASN H . 17.740 23.740 23.304 22.322 23.817 0.077 4 0 "[ . 1 . 2]" 1
494 1 92 SER CB 1 119 ARG H . 23.692 . 23.725 23.641 24.925 0.051 8 0 "[ . 1 . 2]" 1
495 1 92 SER H 1 120 PRO CB . 24.780 . 24.775 24.671 25.423 0.109 15 0 "[ . 1 . 2]" 1
496 1 92 SER CB 1 121 HIS H . 25.000 . 25.240 24.898 26.300 0.102 4 0 "[ . 1 . 2]" 1
497 1 93 GLY H 1 120 PRO CB . 25.000 . 25.423 24.946 26.453 0.054 6 0 "[ . 1 . 2]" 1
498 1 95 PHE H 1 105 SER CB . 10.680 16.680 11.714 10.658 16.257 0.022 11 0 "[ . 1 . 2]" 1
499 1 95 PHE H 1 120 PRO CB . 25.000 . 25.656 24.964 26.412 0.036 17 0 "[ . 1 . 2]" 1
500 1 96 MET H 1 120 PRO CB . 23.770 . 27.143 24.826 29.280 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 39
_Distance_constraint_stats_list.Viol_count 26
_Distance_constraint_stats_list.Viol_total 47.246
_Distance_constraint_stats_list.Viol_max 0.201
_Distance_constraint_stats_list.Viol_rms 0.0187
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0030
_Distance_constraint_stats_list.Viol_average_violations_only 0.0909
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 13 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ALA 2.065 0.201 20 0 "[ . 1 . 2]"
1 43 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ALA 2.049 0.201 20 0 "[ . 1 . 2]"
1 50 GLY 0.015 0.015 10 0 "[ . 1 . 2]"
1 54 GLY 0.298 0.118 11 0 "[ . 1 . 2]"
1 55 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 SER 0.298 0.118 11 0 "[ . 1 . 2]"
1 70 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 13 THR H 1 14 SER CB . . 14.938 6.543 5.897 6.864 . 0 0 "[ . 1 . 2]" 2
2 1 14 SER CB 1 20 HIS H . . 14.520 8.620 7.781 9.686 . 0 0 "[ . 1 . 2]" 2
3 1 14 SER CB 1 22 PHE H . . 14.689 7.056 5.986 8.339 . 0 0 "[ . 1 . 2]" 2
4 1 14 SER CB 1 93 GLY H . . 28.410 13.906 12.089 15.419 . 0 0 "[ . 1 . 2]" 2
5 1 25 GLY H 1 32 SER CB . . 12.000 10.216 9.979 10.533 . 0 0 "[ . 1 . 2]" 2
6 1 26 TYR H 1 32 SER CB . . 12.000 9.606 9.357 9.843 . 0 0 "[ . 1 . 2]" 2
7 1 27 ALA H 1 32 SER CB . . 12.000 8.966 8.718 9.278 . 0 0 "[ . 1 . 2]" 2
8 1 32 SER CB 1 33 GLY H . . 12.000 2.607 2.460 2.754 . 0 0 "[ . 1 . 2]" 2
9 1 32 SER CB 1 34 GLY H . . 12.000 4.445 4.255 4.684 . 0 0 "[ . 1 . 2]" 2
10 1 32 SER CB 1 37 GLY H . . 12.000 6.566 6.274 6.853 . 0 0 "[ . 1 . 2]" 2
11 1 37 GLY H 1 41 ALA CB . . 12.000 7.738 7.417 8.701 . 0 0 "[ . 1 . 2]" 2
12 1 41 ALA CB 1 43 SER H . . 12.000 4.640 3.418 5.292 . 0 0 "[ . 1 . 2]" 2
13 1 41 ALA CB 1 48 ALA H . . 12.000 10.654 9.718 11.027 . 0 0 "[ . 1 . 2]" 2
14 1 41 ALA CB 1 49 ALA H . . 12.000 12.102 12.014 12.201 0.201 20 0 "[ . 1 . 2]" 2
15 1 41 ALA CB 1 50 GLY H . . 12.000 11.690 11.536 12.015 0.015 10 0 "[ . 1 . 2]" 2
16 1 47 LEU H 1 105 SER CB . . 29.860 23.206 21.536 24.200 . 0 0 "[ . 1 . 2]" 2
17 1 50 GLY H 1 55 SER CB . . 12.000 10.390 10.208 10.559 . 0 0 "[ . 1 . 2]" 2
18 1 54 GLY H 1 55 SER CB . . 12.000 5.399 5.267 5.609 . 0 0 "[ . 1 . 2]" 2
19 1 54 GLY H 1 65 SER CB . . 12.000 11.460 10.539 12.118 0.118 11 0 "[ . 1 . 2]" 2
20 1 55 SER CB 1 58 GLY H . . 12.000 5.362 5.094 5.728 . 0 0 "[ . 1 . 2]" 2
21 1 55 SER CB 1 60 GLY H . . 12.000 5.862 5.288 6.355 . 0 0 "[ . 1 . 2]" 2
22 1 55 SER CB 1 63 GLN H . . 14.873 10.652 9.036 13.250 . 0 0 "[ . 1 . 2]" 2
23 1 55 SER CB 1 64 LEU H . . 14.794 10.170 8.040 12.289 . 0 0 "[ . 1 . 2]" 2
24 1 58 GLY H 1 65 SER CB . . 12.000 8.934 8.182 10.111 . 0 0 "[ . 1 . 2]" 2
25 1 60 GLY H 1 65 SER CB . . 12.000 5.071 4.255 6.549 . 0 0 "[ . 1 . 2]" 2
26 1 64 LEU H 1 65 SER CB . . 12.000 4.707 3.948 6.187 . 0 0 "[ . 1 . 2]" 2
27 1 65 SER CB 1 70 ASN H . . 12.000 11.121 10.208 11.777 . 0 0 "[ . 1 . 2]" 2
28 1 75 LEU H 1 78 SER CB . . 12.000 6.482 6.271 6.666 . 0 0 "[ . 1 . 2]" 2
29 1 76 ALA H 1 78 SER CB . . 12.000 6.670 6.122 6.976 . 0 0 "[ . 1 . 2]" 2
30 1 78 SER CB 1 83 GLY H . . 12.000 6.299 5.627 7.507 . 0 0 "[ . 1 . 2]" 2
31 1 92 SER CB 1 95 PHE H . . 18.950 6.392 5.064 8.769 . 0 0 "[ . 1 . 2]" 2
32 1 92 SER CB 1 101 ILE H . . 12.000 4.998 4.359 6.216 . 0 0 "[ . 1 . 2]" 2
33 1 96 MET H 1 105 SER CB . . 23.400 12.762 10.382 15.246 . 0 0 "[ . 1 . 2]" 2
34 1 99 GLY H 1 105 SER CB . . 12.000 10.710 8.776 11.323 . 0 0 "[ . 1 . 2]" 2
35 1 101 ILE H 1 105 SER CB . . 20.150 7.699 7.296 7.998 . 0 0 "[ . 1 . 2]" 2
36 1 105 SER CB 1 109 VAL H . . 12.000 5.091 5.007 5.234 . 0 0 "[ . 1 . 2]" 2
37 1 105 SER CB 1 110 ALA H . . 12.000 7.225 7.089 7.398 . 0 0 "[ . 1 . 2]" 2
38 1 105 SER CB 1 116 MET H . . 29.700 16.606 14.344 19.077 . 0 0 "[ . 1 . 2]" 2
39 1 105 SER H 1 120 PRO CB . . 25.110 16.659 15.100 17.609 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 144
_Distance_constraint_stats_list.Viol_count 1763
_Distance_constraint_stats_list.Viol_total 1848.288
_Distance_constraint_stats_list.Viol_max 0.243
_Distance_constraint_stats_list.Viol_rms 0.0418
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0321
_Distance_constraint_stats_list.Viol_average_violations_only 0.0524
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 18 PRO 0.748 0.089 19 0 "[ . 1 . 2]"
1 19 LEU 7.189 0.215 20 0 "[ . 1 . 2]"
1 20 HIS 2.961 0.138 8 0 "[ . 1 . 2]"
1 21 TRP 3.312 0.107 9 0 "[ . 1 . 2]"
1 22 PHE 7.340 0.215 20 0 "[ . 1 . 2]"
1 23 GLY 4.270 0.101 6 0 "[ . 1 . 2]"
1 24 PHE 3.747 0.138 8 0 "[ . 1 . 2]"
1 25 GLY 1.713 0.091 9 0 "[ . 1 . 2]"
1 26 TYR 0.972 0.065 19 0 "[ . 1 . 2]"
1 27 ALA 2.161 0.075 9 0 "[ . 1 . 2]"
1 28 ALA 0.880 0.081 9 0 "[ . 1 . 2]"
1 29 LEU 0.884 0.070 9 0 "[ . 1 . 2]"
1 30 VAL 0.968 0.056 8 0 "[ . 1 . 2]"
1 31 ALA 1.423 0.113 19 0 "[ . 1 . 2]"
1 32 SER 1.796 0.119 19 0 "[ . 1 . 2]"
1 33 GLY 2.709 0.144 3 0 "[ . 1 . 2]"
1 34 GLY 2.105 0.121 5 0 "[ . 1 . 2]"
1 35 ILE 1.321 0.113 19 0 "[ . 1 . 2]"
1 36 ILE 5.127 0.151 10 0 "[ . 1 . 2]"
1 37 GLY 5.794 0.144 3 0 "[ . 1 . 2]"
1 38 TYR 1.634 0.121 5 0 "[ . 1 . 2]"
1 39 VAL 0.555 0.071 5 0 "[ . 1 . 2]"
1 40 LYS 7.300 0.151 10 0 "[ . 1 . 2]"
1 44 VAL 5.212 0.243 15 0 "[ . 1 . 2]"
1 45 PRO 0.943 0.132 15 0 "[ . 1 . 2]"
1 46 SER 3.779 0.207 15 0 "[ . 1 . 2]"
1 47 LEU 2.164 0.099 16 0 "[ . 1 . 2]"
1 48 ALA 9.135 0.243 15 0 "[ . 1 . 2]"
1 49 ALA 3.521 0.207 15 0 "[ . 1 . 2]"
1 50 GLY 6.437 0.169 15 0 "[ . 1 . 2]"
1 51 LEU 4.397 0.181 15 0 "[ . 1 . 2]"
1 52 LEU 6.167 0.134 18 0 "[ . 1 . 2]"
1 53 PHE 1.156 0.117 18 0 "[ . 1 . 2]"
1 54 GLY 4.303 0.130 11 0 "[ . 1 . 2]"
1 55 SER 5.244 0.181 15 0 "[ . 1 . 2]"
1 56 LEU 3.755 0.134 18 0 "[ . 1 . 2]"
1 57 ALA 1.508 0.117 18 0 "[ . 1 . 2]"
1 58 GLY 1.768 0.107 18 0 "[ . 1 . 2]"
1 59 LEU 3.680 0.176 5 0 "[ . 1 . 2]"
1 60 GLY 1.512 0.125 4 0 "[ . 1 . 2]"
1 61 ALA 0.859 0.093 15 0 "[ . 1 . 2]"
1 62 TYR 2.862 0.176 5 0 "[ . 1 . 2]"
1 68 PRO 0.967 0.150 16 0 "[ . 1 . 2]"
1 69 ARG 4.816 0.196 11 0 "[ . 1 . 2]"
1 70 ASN 5.073 0.180 10 0 "[ . 1 . 2]"
1 71 VAL 2.562 0.144 16 0 "[ . 1 . 2]"
1 72 TRP 6.633 0.196 11 0 "[ . 1 . 2]"
1 73 VAL 5.916 0.180 10 0 "[ . 1 . 2]"
1 74 PHE 3.097 0.160 16 0 "[ . 1 . 2]"
1 75 LEU 2.977 0.144 16 0 "[ . 1 . 2]"
1 76 ALA 1.499 0.089 11 0 "[ . 1 . 2]"
1 77 THR 0.754 0.046 11 0 "[ . 1 . 2]"
1 78 SER 1.166 0.100 13 0 "[ . 1 . 2]"
1 79 GLY 1.751 0.083 13 0 "[ . 1 . 2]"
1 80 THR 0.574 0.052 11 0 "[ . 1 . 2]"
1 81 LEU 0.313 0.041 18 0 "[ . 1 . 2]"
1 82 ALA 0.326 0.061 5 0 "[ . 1 . 2]"
1 83 GLY 0.551 0.050 12 0 "[ . 1 . 2]"
1 84 ILE 0.172 0.032 11 0 "[ . 1 . 2]"
1 99 GLY 0.524 0.056 16 0 "[ . 1 . 2]"
1 100 LEU 0.165 0.036 13 0 "[ . 1 . 2]"
1 101 ILE 0.233 0.048 19 0 "[ . 1 . 2]"
1 102 ALA 0.624 0.076 13 0 "[ . 1 . 2]"
1 103 GLY 2.626 0.099 20 0 "[ . 1 . 2]"
1 104 ALA 0.708 0.050 12 0 "[ . 1 . 2]"
1 105 SER 0.614 0.051 20 0 "[ . 1 . 2]"
1 106 LEU 2.452 0.076 13 0 "[ . 1 . 2]"
1 107 LEU 1.067 0.099 20 0 "[ . 1 . 2]"
1 108 MET 0.127 0.022 15 0 "[ . 1 . 2]"
1 109 VAL 0.562 0.051 20 0 "[ . 1 . 2]"
1 110 ALA 0.234 0.045 13 0 "[ . 1 . 2]"
1 111 LYS 0.117 0.037 12 0 "[ . 1 . 2]"
1 112 VAL 0.082 0.018 19 0 "[ . 1 . 2]"
1 113 GLY 0.181 0.029 20 0 "[ . 1 . 2]"
1 114 VAL 0.057 0.033 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 18 PRO O 1 22 PHE H . . 2.000 1.950 1.738 2.089 0.089 19 0 "[ . 1 . 2]" 3
2 1 18 PRO O 1 22 PHE N . 2.700 3.000 2.913 2.723 3.043 0.043 19 0 "[ . 1 . 2]" 3
3 1 19 LEU O 1 22 PHE H . . 2.000 2.148 2.127 2.191 0.191 7 0 "[ . 1 . 2]" 3
4 1 19 LEU O 1 22 PHE N . 2.700 3.000 2.542 2.485 2.576 0.215 20 0 "[ . 1 . 2]" 3
5 1 19 LEU O 1 23 GLY H . . 2.000 2.044 1.889 2.101 0.101 6 0 "[ . 1 . 2]" 3
6 1 19 LEU O 1 23 GLY N . 2.700 3.000 2.910 2.699 2.983 0.001 7 0 "[ . 1 . 2]" 3
7 1 20 HIS O 1 23 GLY H . . 2.000 2.051 2.027 2.069 0.069 10 0 "[ . 1 . 2]" 3
8 1 20 HIS O 1 23 GLY N . 2.700 3.000 2.668 2.639 2.735 0.061 20 0 "[ . 1 . 2]" 3
9 1 20 HIS O 1 24 PHE H . . 2.000 2.057 2.001 2.138 0.138 8 0 "[ . 1 . 2]" 3
10 1 20 HIS O 1 24 PHE N . 2.700 3.000 2.938 2.845 3.054 0.054 8 0 "[ . 1 . 2]" 3
11 1 21 TRP O 1 24 PHE H . . 2.000 2.084 2.060 2.107 0.107 9 0 "[ . 1 . 2]" 3
12 1 21 TRP O 1 24 PHE N . 2.700 3.000 2.670 2.598 2.735 0.102 20 0 "[ . 1 . 2]" 3
13 1 21 TRP O 1 25 GLY H . . 2.000 1.817 1.709 1.970 0.091 13 0 "[ . 1 . 2]" 3
14 1 21 TRP O 1 25 GLY N . 2.700 3.000 2.696 2.609 2.854 0.091 9 0 "[ . 1 . 2]" 3
15 1 22 PHE O 1 26 TYR H . . 2.000 1.981 1.780 2.065 0.065 19 0 "[ . 1 . 2]" 3
16 1 22 PHE O 1 26 TYR N . 2.700 3.000 2.937 2.703 3.023 0.023 5 0 "[ . 1 . 2]" 3
17 1 23 GLY O 1 27 ALA H . . 2.000 2.045 2.019 2.075 0.075 9 0 "[ . 1 . 2]" 3
18 1 23 GLY O 1 27 ALA N . 2.700 3.000 3.029 2.988 3.074 0.074 9 0 "[ . 1 . 2]" 3
19 1 24 PHE O 1 28 ALA H . . 2.000 1.963 1.798 2.033 0.033 19 0 "[ . 1 . 2]" 3
20 1 24 PHE O 1 28 ALA N . 2.700 3.000 2.835 2.691 2.967 0.009 4 0 "[ . 1 . 2]" 3
21 1 25 GLY O 1 29 LEU H . . 2.000 1.995 1.873 2.036 0.036 9 0 "[ . 1 . 2]" 3
22 1 25 GLY O 1 29 LEU N . 2.700 3.000 2.684 2.630 2.845 0.070 9 0 "[ . 1 . 2]" 3
23 1 26 TYR O 1 30 VAL H . . 2.000 2.010 1.788 2.055 0.055 9 0 "[ . 1 . 2]" 3
24 1 26 TYR O 1 30 VAL N . 2.700 3.000 2.965 2.742 3.010 0.010 9 0 "[ . 1 . 2]" 3
25 1 27 ALA O 1 31 ALA H . . 2.000 2.021 1.985 2.054 0.054 9 0 "[ . 1 . 2]" 3
26 1 27 ALA O 1 31 ALA N . 2.700 3.000 3.003 2.943 3.032 0.032 8 0 "[ . 1 . 2]" 3
27 1 28 ALA O 1 32 SER H . . 2.000 1.798 1.719 1.886 0.081 9 0 "[ . 1 . 2]" 3
28 1 28 ALA O 1 32 SER N . 2.700 3.000 2.681 2.642 2.734 0.058 10 0 "[ . 1 . 2]" 3
29 1 29 LEU O 1 33 GLY H . . 2.000 1.935 1.793 2.033 0.033 6 0 "[ . 1 . 2]" 3
30 1 29 LEU O 1 33 GLY N . 2.700 3.000 2.806 2.707 2.959 . 0 0 "[ . 1 . 2]" 3
31 1 30 VAL O 1 34 GLY H . . 2.000 2.016 1.907 2.056 0.056 8 0 "[ . 1 . 2]" 3
32 1 30 VAL O 1 34 GLY N . 2.700 3.000 2.749 2.681 2.852 0.019 11 0 "[ . 1 . 2]" 3
33 1 31 ALA O 1 35 ILE H . . 2.000 2.033 1.922 2.113 0.113 19 0 "[ . 1 . 2]" 3
34 1 31 ALA O 1 35 ILE N . 2.700 3.000 2.946 2.858 3.024 0.024 19 0 "[ . 1 . 2]" 3
35 1 32 SER O 1 36 ILE H . . 2.000 1.834 1.715 2.017 0.085 19 0 "[ . 1 . 2]" 3
36 1 32 SER O 1 36 ILE N . 2.700 3.000 2.683 2.581 2.903 0.119 19 0 "[ . 1 . 2]" 3
37 1 33 GLY O 1 37 GLY H . . 2.000 2.091 2.055 2.144 0.144 3 0 "[ . 1 . 2]" 3
38 1 33 GLY O 1 37 GLY N . 2.700 3.000 2.666 2.621 2.726 0.079 14 0 "[ . 1 . 2]" 3
39 1 34 GLY O 1 38 TYR H . . 2.000 2.070 2.022 2.121 0.121 5 0 "[ . 1 . 2]" 3
40 1 34 GLY O 1 38 TYR N . 2.700 3.000 2.988 2.857 3.059 0.059 18 0 "[ . 1 . 2]" 3
41 1 35 ILE O 1 39 VAL H . . 2.000 1.845 1.729 1.994 0.071 5 0 "[ . 1 . 2]" 3
42 1 35 ILE O 1 39 VAL N . 2.700 3.000 2.787 2.667 2.983 0.033 5 0 "[ . 1 . 2]" 3
43 1 36 ILE O 1 40 LYS H . . 2.000 2.106 2.066 2.151 0.151 10 0 "[ . 1 . 2]" 3
44 1 36 ILE O 1 40 LYS N . 2.700 3.000 2.602 2.560 2.648 0.140 9 0 "[ . 1 . 2]" 3
45 1 37 GLY O 1 40 LYS H . . 2.000 2.094 2.053 2.126 0.126 11 0 "[ . 1 . 2]" 3
46 1 37 GLY O 1 40 LYS N . 2.700 3.000 2.634 2.585 2.718 0.115 12 0 "[ . 1 . 2]" 3
47 1 44 VAL O 1 48 ALA H . . 2.000 2.171 2.125 2.243 0.243 15 0 "[ . 1 . 2]" 3
48 1 44 VAL O 1 48 ALA N . 2.700 3.000 3.090 3.044 3.150 0.150 19 0 "[ . 1 . 2]" 3
49 1 45 PRO O 1 49 ALA H . . 2.000 1.945 1.766 2.132 0.132 15 0 "[ . 1 . 2]" 3
50 1 45 PRO O 1 49 ALA N . 2.700 3.000 2.748 2.604 3.043 0.096 11 0 "[ . 1 . 2]" 3
51 1 46 SER O 1 49 ALA H . . 2.000 2.104 2.045 2.207 0.207 15 0 "[ . 1 . 2]" 3
52 1 46 SER O 1 49 ALA N . 2.700 3.000 2.758 2.718 2.805 . 0 0 "[ . 1 . 2]" 3
53 1 46 SER O 1 50 GLY H . . 2.000 2.031 1.705 2.162 0.162 10 0 "[ . 1 . 2]" 3
54 1 46 SER O 1 50 GLY N . 2.700 3.000 2.833 2.531 2.991 0.169 15 0 "[ . 1 . 2]" 3
55 1 47 LEU O 1 50 GLY H . . 2.000 2.030 1.977 2.057 0.057 18 0 "[ . 1 . 2]" 3
56 1 47 LEU O 1 50 GLY N . 2.700 3.000 2.678 2.601 2.736 0.099 16 0 "[ . 1 . 2]" 3
57 1 47 LEU O 1 51 LEU H . . 2.000 2.043 1.944 2.094 0.094 20 0 "[ . 1 . 2]" 3
58 1 47 LEU O 1 51 LEU N . 2.700 3.000 2.904 2.806 2.978 . 0 0 "[ . 1 . 2]" 3
59 1 48 ALA O 1 52 LEU H . . 2.000 2.102 2.072 2.128 0.128 18 0 "[ . 1 . 2]" 3
60 1 48 ALA O 1 52 LEU N . 2.700 3.000 3.095 3.059 3.120 0.120 18 0 "[ . 1 . 2]" 3
61 1 49 ALA O 1 53 PHE H . . 2.000 2.013 1.855 2.056 0.056 15 0 "[ . 1 . 2]" 3
62 1 49 ALA O 1 53 PHE N . 2.700 3.000 2.925 2.754 2.999 . 0 0 "[ . 1 . 2]" 3
63 1 50 GLY O 1 54 GLY H . . 2.000 2.094 2.052 2.130 0.130 11 0 "[ . 1 . 2]" 3
64 1 50 GLY O 1 54 GLY N . 2.700 3.000 2.615 2.585 2.651 0.115 18 0 "[ . 1 . 2]" 3
65 1 51 LEU O 1 55 SER H . . 2.000 2.124 2.073 2.181 0.181 15 0 "[ . 1 . 2]" 3
66 1 51 LEU O 1 55 SER N . 2.700 3.000 3.045 3.016 3.082 0.082 15 0 "[ . 1 . 2]" 3
67 1 52 LEU O 1 56 LEU H . . 2.000 2.073 2.010 2.134 0.134 18 0 "[ . 1 . 2]" 3
68 1 52 LEU O 1 56 LEU N . 2.700 3.000 3.029 2.905 3.125 0.125 18 0 "[ . 1 . 2]" 3
69 1 53 PHE O 1 57 ALA H . . 2.000 1.894 1.779 2.017 0.021 16 0 "[ . 1 . 2]" 3
70 1 53 PHE O 1 57 ALA N . 2.700 3.000 2.700 2.583 2.976 0.117 18 0 "[ . 1 . 2]" 3
71 1 54 GLY O 1 58 GLY H . . 2.000 2.009 1.817 2.097 0.097 15 0 "[ . 1 . 2]" 3
72 1 54 GLY O 1 58 GLY N . 2.700 3.000 2.967 2.784 3.041 0.041 3 0 "[ . 1 . 2]" 3
73 1 55 SER O 1 59 LEU H . . 2.000 1.877 1.706 2.052 0.094 20 0 "[ . 1 . 2]" 3
74 1 55 SER O 1 59 LEU N . 2.700 3.000 2.631 2.527 2.810 0.173 3 0 "[ . 1 . 2]" 3
75 1 56 LEU O 1 60 GLY H . . 2.000 2.071 2.024 2.125 0.125 4 0 "[ . 1 . 2]" 3
76 1 56 LEU O 1 60 GLY N . 2.700 3.000 2.736 2.659 2.818 0.041 17 0 "[ . 1 . 2]" 3
77 1 57 ALA O 1 61 ALA H . . 2.000 1.829 1.747 2.093 0.093 15 0 "[ . 1 . 2]" 3
78 1 57 ALA O 1 61 ALA N . 2.700 3.000 2.733 2.639 3.008 0.061 18 0 "[ . 1 . 2]" 3
79 1 58 GLY O 1 62 TYR H . . 2.000 2.030 1.822 2.107 0.107 18 0 "[ . 1 . 2]" 3
80 1 58 GLY O 1 62 TYR N . 2.700 3.000 2.815 2.667 2.975 0.033 6 0 "[ . 1 . 2]" 3
81 1 59 LEU O 1 62 TYR H . . 2.000 2.042 1.991 2.126 0.126 18 0 "[ . 1 . 2]" 3
82 1 59 LEU O 1 62 TYR N . 2.700 3.000 2.657 2.524 2.771 0.176 5 0 "[ . 1 . 2]" 3
83 1 68 PRO O 1 72 TRP H . . 2.000 2.008 1.789 2.150 0.150 16 0 "[ . 1 . 2]" 3
84 1 68 PRO O 1 72 TRP N . 2.700 3.000 2.928 2.717 3.046 0.046 11 0 "[ . 1 . 2]" 3
85 1 69 ARG O 1 72 TRP H . . 2.000 2.096 2.058 2.196 0.196 11 0 "[ . 1 . 2]" 3
86 1 69 ARG O 1 72 TRP N . 2.700 3.000 2.608 2.524 2.641 0.176 10 0 "[ . 1 . 2]" 3
87 1 69 ARG O 1 73 VAL H . . 2.000 2.027 1.810 2.108 0.108 5 0 "[ . 1 . 2]" 3
88 1 69 ARG O 1 73 VAL N . 2.700 3.000 2.936 2.725 3.024 0.024 5 0 "[ . 1 . 2]" 3
89 1 70 ASN O 1 73 VAL H . . 2.000 2.098 2.072 2.130 0.130 5 0 "[ . 1 . 2]" 3
90 1 70 ASN O 1 73 VAL N . 2.700 3.000 2.577 2.520 2.599 0.180 10 0 "[ . 1 . 2]" 3
91 1 70 ASN O 1 74 PHE H . . 2.000 2.016 1.910 2.160 0.160 16 0 "[ . 1 . 2]" 3
92 1 70 ASN O 1 74 PHE N . 2.700 3.000 2.858 2.744 2.999 . 0 0 "[ . 1 . 2]" 3
93 1 71 VAL O 1 74 PHE H . . 2.000 2.052 2.010 2.105 0.105 7 0 "[ . 1 . 2]" 3
94 1 71 VAL O 1 74 PHE N . 2.700 3.000 2.678 2.601 2.757 0.099 11 0 "[ . 1 . 2]" 3
95 1 71 VAL O 1 75 LEU H . . 2.000 1.920 1.790 2.060 0.060 18 0 "[ . 1 . 2]" 3
96 1 71 VAL O 1 75 LEU N . 2.700 3.000 2.676 2.556 2.802 0.144 16 0 "[ . 1 . 2]" 3
97 1 72 TRP O 1 75 LEU H . . 2.000 2.035 1.976 2.071 0.071 6 0 "[ . 1 . 2]" 3
98 1 72 TRP O 1 75 LEU N . 2.700 3.000 2.732 2.662 2.813 0.038 16 0 "[ . 1 . 2]" 3
99 1 72 TRP O 1 76 ALA H . . 2.000 2.049 1.982 2.089 0.089 11 0 "[ . 1 . 2]" 3
100 1 72 TRP O 1 76 ALA N . 2.700 3.000 2.983 2.792 3.021 0.021 11 0 "[ . 1 . 2]" 3
101 1 73 VAL O 1 77 THR H . . 2.000 2.019 1.961 2.046 0.046 11 0 "[ . 1 . 2]" 3
102 1 73 VAL O 1 77 THR N . 2.700 3.000 2.952 2.848 3.012 0.012 7 0 "[ . 1 . 2]" 3
103 1 74 PHE O 1 78 SER H . . 2.000 2.037 1.982 2.100 0.100 13 0 "[ . 1 . 2]" 3
104 1 74 PHE O 1 78 SER N . 2.700 3.000 2.966 2.807 3.077 0.077 13 0 "[ . 1 . 2]" 3
105 1 75 LEU O 1 79 GLY H . . 2.000 2.020 1.868 2.083 0.083 13 0 "[ . 1 . 2]" 3
106 1 75 LEU O 1 79 GLY N . 2.700 3.000 2.706 2.626 3.026 0.074 16 0 "[ . 1 . 2]" 3
107 1 76 ALA O 1 80 THR H . . 2.000 2.003 1.824 2.052 0.052 11 0 "[ . 1 . 2]" 3
108 1 76 ALA O 1 80 THR N . 2.700 3.000 2.966 2.823 3.012 0.012 14 0 "[ . 1 . 2]" 3
109 1 77 THR O 1 81 LEU H . . 2.000 1.982 1.759 2.038 0.041 18 0 "[ . 1 . 2]" 3
110 1 77 THR O 1 81 LEU N . 2.700 3.000 2.940 2.665 3.019 0.035 12 0 "[ . 1 . 2]" 3
111 1 78 SER O 1 82 ALA H . . 2.000 1.826 1.739 2.009 0.061 5 0 "[ . 1 . 2]" 3
112 1 78 SER O 1 82 ALA N . 2.700 3.000 2.741 2.666 2.957 0.034 2 0 "[ . 1 . 2]" 3
113 1 79 GLY O 1 83 GLY H . . 2.000 2.015 1.944 2.050 0.050 12 0 "[ . 1 . 2]" 3
114 1 79 GLY O 1 83 GLY N . 2.700 3.000 2.771 2.671 3.000 0.029 8 0 "[ . 1 . 2]" 3
115 1 80 THR O 1 84 ILE H . . 2.000 1.970 1.799 2.032 0.032 11 0 "[ . 1 . 2]" 3
116 1 80 THR O 1 84 ILE N . 2.700 3.000 2.870 2.699 2.998 0.001 12 0 "[ . 1 . 2]" 3
117 1 99 GLY O 1 103 GLY H . . 2.000 1.994 1.880 2.053 0.053 16 0 "[ . 1 . 2]" 3
118 1 99 GLY O 1 103 GLY N . 2.700 3.000 2.750 2.644 2.895 0.056 16 0 "[ . 1 . 2]" 3
119 1 100 LEU O 1 104 ALA H . . 2.000 1.864 1.764 2.011 0.036 13 0 "[ . 1 . 2]" 3
120 1 100 LEU O 1 104 ALA N . 2.700 3.000 2.785 2.683 2.929 0.017 18 0 "[ . 1 . 2]" 3
121 1 101 ILE O 1 105 SER H . . 2.000 1.912 1.760 2.048 0.048 19 0 "[ . 1 . 2]" 3
122 1 101 ILE O 1 105 SER N . 2.700 3.000 2.896 2.749 3.023 0.023 19 0 "[ . 1 . 2]" 3
123 1 102 ALA O 1 106 LEU H . . 2.000 2.031 2.002 2.076 0.076 13 0 "[ . 1 . 2]" 3
124 1 102 ALA O 1 106 LEU N . 2.700 3.000 2.867 2.816 2.933 . 0 0 "[ . 1 . 2]" 3
125 1 103 GLY O 1 106 LEU H . . 2.000 2.048 2.032 2.076 0.076 14 0 "[ . 1 . 2]" 3
126 1 103 GLY O 1 106 LEU N . 2.700 3.000 2.666 2.646 2.687 0.054 14 0 "[ . 1 . 2]" 3
127 1 103 GLY O 1 107 LEU H . . 2.000 1.897 1.784 1.965 0.016 19 0 "[ . 1 . 2]" 3
128 1 103 GLY O 1 107 LEU N . 2.700 3.000 2.686 2.601 2.743 0.099 20 0 "[ . 1 . 2]" 3
129 1 104 ALA O 1 107 LEU H . . 2.000 2.018 1.997 2.050 0.050 12 0 "[ . 1 . 2]" 3
130 1 104 ALA O 1 107 LEU N . 2.700 3.000 2.718 2.661 2.788 0.039 19 0 "[ . 1 . 2]" 3
131 1 104 ALA O 1 108 MET H . . 2.000 1.937 1.815 2.022 0.022 15 0 "[ . 1 . 2]" 3
132 1 104 ALA O 1 108 MET N . 2.700 3.000 2.876 2.716 2.969 . 0 0 "[ . 1 . 2]" 3
133 1 105 SER O 1 109 VAL H . . 2.000 2.014 1.996 2.051 0.051 20 0 "[ . 1 . 2]" 3
134 1 105 SER O 1 109 VAL N . 2.700 3.000 2.980 2.945 3.029 0.029 20 0 "[ . 1 . 2]" 3
135 1 106 LEU O 1 110 ALA H . . 2.000 1.993 1.886 2.045 0.045 13 0 "[ . 1 . 2]" 3
136 1 106 LEU O 1 110 ALA N . 2.700 3.000 2.935 2.753 2.991 . 0 0 "[ . 1 . 2]" 3
137 1 107 LEU O 1 111 LYS H . . 2.000 1.853 1.792 1.992 0.008 18 0 "[ . 1 . 2]" 3
138 1 107 LEU O 1 111 LYS N . 2.700 3.000 2.749 2.663 2.883 0.037 12 0 "[ . 1 . 2]" 3
139 1 108 MET O 1 112 VAL H . . 2.000 1.942 1.800 2.018 0.018 19 0 "[ . 1 . 2]" 3
140 1 108 MET O 1 112 VAL N . 2.700 3.000 2.908 2.735 3.006 0.006 15 0 "[ . 1 . 2]" 3
141 1 109 VAL O 1 113 GLY H . . 2.000 1.998 1.895 2.029 0.029 20 0 "[ . 1 . 2]" 3
142 1 109 VAL O 1 113 GLY N . 2.700 3.000 2.897 2.736 2.979 . 0 0 "[ . 1 . 2]" 3
143 1 110 ALA O 1 114 VAL H . . 2.000 1.929 1.816 2.004 0.004 15 0 "[ . 1 . 2]" 3
144 1 110 ALA O 1 114 VAL N . 2.700 3.000 2.780 2.667 2.961 0.033 20 0 "[ . 1 . 2]" 3
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