NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
578103 |
2moq   |
19056 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2moq
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 794
_Distance_constraint_stats_list.Viol_count 1183
_Distance_constraint_stats_list.Viol_total 773.609
_Distance_constraint_stats_list.Viol_max 0.486
_Distance_constraint_stats_list.Viol_rms 0.0142
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0327
_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 17 ASN 0.473 0.122 11 0 "[ . 1 . 2]"
1 18 GLN 0.715 0.242 6 0 "[ . 1 . 2]"
1 19 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LEU 0.414 0.365 20 0 "[ . 1 . 2]"
1 21 ARG 0.160 0.057 4 0 "[ . 1 . 2]"
1 22 GLU 1.343 0.095 9 0 "[ . 1 . 2]"
1 23 ALA 1.612 0.242 6 0 "[ . 1 . 2]"
1 24 ILE 0.358 0.042 6 0 "[ . 1 . 2]"
1 25 LYS 0.250 0.042 6 0 "[ . 1 . 2]"
1 26 ASN 0.498 0.071 11 0 "[ . 1 . 2]"
1 27 PRO 0.007 0.007 5 0 "[ . 1 . 2]"
1 28 ALA 0.156 0.036 10 0 "[ . 1 . 2]"
1 29 ILE 1.028 0.071 11 0 "[ . 1 . 2]"
1 30 LYS 0.332 0.064 14 0 "[ . 1 . 2]"
1 31 ASP 0.164 0.033 1 0 "[ . 1 . 2]"
1 32 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ASP 0.369 0.061 20 0 "[ . 1 . 2]"
1 34 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 SER 0.369 0.061 20 0 "[ . 1 . 2]"
1 38 ASN 0.009 0.009 2 0 "[ . 1 . 2]"
1 39 SER 0.268 0.046 18 0 "[ . 1 . 2]"
1 40 ARG 0.111 0.070 7 0 "[ . 1 . 2]"
1 41 PRO 0.003 0.003 15 0 "[ . 1 . 2]"
1 42 ILE 1.033 0.486 3 0 "[ . 1 . 2]"
1 43 ASP 0.632 0.067 10 0 "[ . 1 . 2]"
1 44 PHE 1.534 0.078 12 0 "[ . 1 . 2]"
1 45 GLU 0.265 0.060 17 0 "[ . 1 . 2]"
1 46 MET 0.846 0.088 2 0 "[ . 1 . 2]"
1 47 LYS 1.580 0.181 8 0 "[ . 1 . 2]"
1 48 LYS 1.157 0.096 4 0 "[ . 1 . 2]"
1 49 LYS 0.872 0.074 8 0 "[ . 1 . 2]"
1 50 ASP 0.253 0.052 6 0 "[ . 1 . 2]"
1 51 GLY 0.480 0.060 1 0 "[ . 1 . 2]"
1 52 THR 1.508 0.121 3 0 "[ . 1 . 2]"
1 53 GLN 0.142 0.069 10 0 "[ . 1 . 2]"
1 54 GLN 0.272 0.049 13 0 "[ . 1 . 2]"
1 59 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 SER 0.339 0.063 12 0 "[ . 1 . 2]"
1 61 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 LYS 0.577 0.067 10 0 "[ . 1 . 2]"
1 65 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ARG 2.377 0.135 1 0 "[ . 1 . 2]"
1 67 VAL 0.081 0.070 7 0 "[ . 1 . 2]"
1 68 ILE 3.721 0.135 1 0 "[ . 1 . 2]"
1 69 PHE 1.049 0.069 15 0 "[ . 1 . 2]"
1 70 THR 0.653 0.058 6 0 "[ . 1 . 2]"
1 71 ASP 0.726 0.118 12 0 "[ . 1 . 2]"
1 72 SER 0.083 0.026 15 0 "[ . 1 . 2]"
1 73 LYS 1.221 0.118 12 0 "[ . 1 . 2]"
1 74 PRO 1.053 0.480 7 0 "[ . 1 . 2]"
1 75 GLU 0.807 0.087 16 0 "[ . 1 . 2]"
1 76 ILE 2.039 0.108 13 0 "[ . 1 . 2]"
1 77 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 LEU 0.868 0.459 10 0 "[ . 1 . 2]"
1 79 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LEU 0.079 0.026 19 0 "[ . 1 . 2]"
1 81 GLN 0.052 0.015 3 0 "[ . 1 . 2]"
1 82 SER 0.232 0.045 6 0 "[ . 1 . 2]"
1 83 GLY 0.052 0.015 3 0 "[ . 1 . 2]"
1 84 GLN 0.302 0.058 18 0 "[ . 1 . 2]"
1 85 PHE 0.017 0.014 9 0 "[ . 1 . 2]"
1 86 TRP 0.580 0.063 12 0 "[ . 1 . 2]"
1 87 ARG 0.300 0.057 4 0 "[ . 1 . 2]"
1 88 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 VAL 1.520 0.082 1 0 "[ . 1 . 2]"
1 92 TYR 0.583 0.151 17 0 "[ . 1 . 2]"
1 93 GLU 0.441 0.049 10 0 "[ . 1 . 2]"
1 94 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 LYS 1.518 0.096 17 0 "[ . 1 . 2]"
1 97 LYS 0.639 0.069 2 0 "[ . 1 . 2]"
1 98 LEU 0.959 0.071 11 0 "[ . 1 . 2]"
1 99 PRO 0.020 0.020 7 0 "[ . 1 . 2]"
1 100 ILE 1.018 0.082 1 0 "[ . 1 . 2]"
1 101 LYS 0.258 0.047 10 0 "[ . 1 . 2]"
1 102 LEU 0.610 0.075 19 0 "[ . 1 . 2]"
1 103 VAL 2.096 0.271 5 0 "[ . 1 . 2]"
1 104 SER 0.668 0.107 5 0 "[ . 1 . 2]"
1 105 TYR 2.990 0.271 5 0 "[ . 1 . 2]"
1 106 ASP 0.395 0.064 14 0 "[ . 1 . 2]"
1 107 THR 0.776 0.105 5 0 "[ . 1 . 2]"
1 108 VAL 0.029 0.013 2 0 "[ . 1 . 2]"
1 109 LYS 0.179 0.062 17 0 "[ . 1 . 2]"
1 110 ASP 0.047 0.020 9 0 "[ . 1 . 2]"
1 111 TYR 0.041 0.015 18 0 "[ . 1 . 2]"
1 112 ALA 0.639 0.365 20 0 "[ . 1 . 2]"
1 113 TYR 0.112 0.026 1 0 "[ . 1 . 2]"
1 114 ILE 1.121 0.459 10 0 "[ . 1 . 2]"
1 115 ARG 0.331 0.231 20 0 "[ . 1 . 2]"
1 116 PHE 0.653 0.108 13 0 "[ . 1 . 2]"
1 117 SER 0.089 0.023 19 0 "[ . 1 . 2]"
1 118 VAL 1.001 0.480 7 0 "[ . 1 . 2]"
1 119 SER 0.310 0.093 11 0 "[ . 1 . 2]"
1 120 ASN 1.034 0.096 17 0 "[ . 1 . 2]"
1 121 GLY 0.222 0.052 16 0 "[ . 1 . 2]"
1 122 THR 0.477 0.093 11 0 "[ . 1 . 2]"
1 123 LYS 0.456 0.042 12 0 "[ . 1 . 2]"
1 124 ALA 0.408 0.042 12 0 "[ . 1 . 2]"
1 125 VAL 0.753 0.117 19 0 "[ . 1 . 2]"
1 126 LYS 0.309 0.096 11 0 "[ . 1 . 2]"
1 127 ILE 0.297 0.042 7 0 "[ . 1 . 2]"
1 128 VAL 1.319 0.151 17 0 "[ . 1 . 2]"
1 129 SER 0.194 0.039 11 0 "[ . 1 . 2]"
1 130 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 131 THR 0.248 0.047 1 0 "[ . 1 . 2]"
1 132 HIS 0.054 0.020 16 0 "[ . 1 . 2]"
1 133 PHE 0.374 0.043 1 0 "[ . 1 . 2]"
1 135 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 136 LYS 0.033 0.019 3 0 "[ . 1 . 2]"
1 137 GLU 0.004 0.004 15 0 "[ . 1 . 2]"
1 138 GLU 0.529 0.045 13 0 "[ . 1 . 2]"
1 139 LYS 0.304 0.045 13 0 "[ . 1 . 2]"
1 140 TYR 0.443 0.057 10 0 "[ . 1 . 2]"
1 141 ASP 0.093 0.057 10 0 "[ . 1 . 2]"
1 142 TYR 0.849 0.065 18 0 "[ . 1 . 2]"
1 143 THR 2.603 0.121 3 0 "[ . 1 . 2]"
1 144 LEU 1.321 0.393 14 0 "[ . 1 . 2]"
1 145 MET 2.276 0.393 14 0 "[ . 1 . 2]"
1 146 GLU 0.221 0.065 14 0 "[ . 1 . 2]"
1 147 PHE 1.190 0.486 3 0 "[ . 1 . 2]"
1 148 ALA 0.832 0.069 18 0 "[ . 1 . 2]"
1 149 GLN 0.262 0.043 3 0 "[ . 1 . 2]"
1 150 PRO 0.222 0.052 16 0 "[ . 1 . 2]"
1 151 ILE 0.978 0.053 13 0 "[ . 1 . 2]"
1 152 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 153 ASN 0.873 0.081 14 0 "[ . 1 . 2]"
1 154 SER 0.989 0.081 14 0 "[ . 1 . 2]"
1 155 ALA 0.144 0.041 4 0 "[ . 1 . 2]"
1 156 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 157 LYS 0.113 0.032 16 0 "[ . 1 . 2]"
1 158 PHE 0.380 0.045 11 0 "[ . 1 . 2]"
1 159 LYS 0.072 0.038 9 0 "[ . 1 . 2]"
1 161 GLU 0.300 0.045 11 0 "[ . 1 . 2]"
1 162 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 163 ASP 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 17 ASN H 1 18 GLN H . . 4.740 2.631 2.098 3.072 . 0 0 "[ . 1 . 2]" 1
2 1 17 ASN HA 1 18 GLN QB . . 5.100 4.844 4.530 5.175 0.075 1 0 "[ . 1 . 2]" 1
3 1 17 ASN HA 1 18 GLN QG . . 5.110 4.682 3.742 5.138 0.028 3 0 "[ . 1 . 2]" 1
4 1 17 ASN HB2 1 18 GLN HA . . 5.500 5.194 4.679 5.622 0.122 11 0 "[ . 1 . 2]" 1
5 1 17 ASN HB3 1 18 GLN HA . . 5.500 5.034 4.320 5.501 0.001 2 0 "[ . 1 . 2]" 1
6 1 17 ASN QB 1 18 GLN HA . . 4.720 4.516 4.188 4.761 0.041 10 0 "[ . 1 . 2]" 1
7 1 18 GLN QG 1 23 ALA MB . . 5.200 3.424 2.369 5.442 0.242 6 0 "[ . 1 . 2]" 1
8 1 19 GLU H 1 20 LEU H . . 5.500 4.435 3.734 4.684 . 0 0 "[ . 1 . 2]" 1
9 1 19 GLU HA 1 21 ARG H . . 5.330 4.282 3.591 5.035 . 0 0 "[ . 1 . 2]" 1
10 1 19 GLU QG 1 20 LEU H . . 5.500 3.825 2.859 4.825 . 0 0 "[ . 1 . 2]" 1
11 1 20 LEU H 1 20 LEU MD1 . . 4.770 4.133 3.765 4.268 . 0 0 "[ . 1 . 2]" 1
12 1 20 LEU H 1 21 ARG H . . 5.250 2.951 2.595 3.139 . 0 0 "[ . 1 . 2]" 1
13 1 20 LEU H 1 22 GLU H . . 5.500 4.371 4.135 4.621 . 0 0 "[ . 1 . 2]" 1
14 1 20 LEU HA 1 23 ALA MB . . 4.500 2.384 2.104 2.733 . 0 0 "[ . 1 . 2]" 1
15 1 20 LEU HA 1 24 ILE MG . . 4.450 4.205 3.879 4.474 0.024 1 0 "[ . 1 . 2]" 1
16 1 20 LEU MD1 1 86 TRP HE3 . . 5.500 4.551 3.338 5.171 . 0 0 "[ . 1 . 2]" 1
17 1 20 LEU MD1 1 112 ALA MB . . 4.630 2.846 2.294 3.562 . 0 0 "[ . 1 . 2]" 1
18 1 20 LEU MD1 1 21 ARG HA . . 4.780 3.438 2.759 4.476 . 0 0 "[ . 1 . 2]" 1
19 1 20 LEU QB 1 21 ARG H . . 3.970 2.776 2.272 3.759 . 0 0 "[ . 1 . 2]" 1
20 1 20 LEU QB 1 23 ALA MB . . 4.460 4.012 2.955 4.469 0.009 15 0 "[ . 1 . 2]" 1
21 1 20 LEU QD 1 21 ARG H . . 5.440 3.289 2.818 3.853 . 0 0 "[ . 1 . 2]" 1
22 1 20 LEU QD 1 23 ALA H . . 5.440 4.317 4.061 5.373 . 0 0 "[ . 1 . 2]" 1
23 1 20 LEU QD 1 23 ALA MB . . 5.440 3.034 2.401 4.556 . 0 0 "[ . 1 . 2]" 1
24 1 20 LEU QD 1 112 ALA H . . 6.000 5.098 4.551 6.365 0.365 20 0 "[ . 1 . 2]" 1
25 1 20 LEU QD 1 112 ALA MB . . 4.420 2.629 2.179 3.503 . 0 0 "[ . 1 . 2]" 1
26 1 21 ARG H 1 21 ARG QD . . 5.300 4.239 3.420 4.820 . 0 0 "[ . 1 . 2]" 1
27 1 21 ARG H 1 22 GLU H . . 5.030 2.952 2.810 3.132 . 0 0 "[ . 1 . 2]" 1
28 1 21 ARG H 1 87 ARG H . . 5.500 5.123 4.603 5.527 0.027 17 0 "[ . 1 . 2]" 1
29 1 21 ARG H 1 87 ARG HA . . 5.100 2.663 1.895 2.949 . 0 0 "[ . 1 . 2]" 1
30 1 21 ARG QG 1 85 PHE H . . 5.500 4.501 3.703 5.356 . 0 0 "[ . 1 . 2]" 1
31 1 21 ARG QG 1 87 ARG H . . 5.470 5.198 4.106 5.527 0.057 4 0 "[ . 1 . 2]" 1
32 1 22 GLU H 1 22 GLU QB . . 3.880 2.392 2.226 2.680 . 0 0 "[ . 1 . 2]" 1
33 1 22 GLU H 1 23 ALA H . . 4.070 2.238 2.174 2.297 . 0 0 "[ . 1 . 2]" 1
34 1 22 GLU H 1 23 ALA HA . . 4.810 4.873 4.851 4.905 0.095 9 0 "[ . 1 . 2]" 1
35 1 22 GLU H 1 23 ALA MB . . 4.350 3.903 3.814 4.028 . 0 0 "[ . 1 . 2]" 1
36 1 22 GLU H 1 24 ILE H . . 5.500 4.053 3.799 4.206 . 0 0 "[ . 1 . 2]" 1
37 1 22 GLU H 1 87 ARG HA . . 5.500 5.121 4.647 5.548 0.048 17 0 "[ . 1 . 2]" 1
38 1 22 GLU HA 1 24 ILE H . . 5.500 4.093 3.582 4.444 . 0 0 "[ . 1 . 2]" 1
39 1 22 GLU HA 1 25 LYS H . . 5.020 3.978 3.427 4.506 . 0 0 "[ . 1 . 2]" 1
40 1 22 GLU QB 1 23 ALA H . . 4.030 2.794 2.518 3.131 . 0 0 "[ . 1 . 2]" 1
41 1 23 ALA H 1 24 ILE H . . 4.840 2.820 2.686 2.948 . 0 0 "[ . 1 . 2]" 1
42 1 23 ALA H 1 24 ILE MG . . 4.840 4.320 3.601 4.591 . 0 0 "[ . 1 . 2]" 1
43 1 23 ALA HA 1 24 ILE MG . . 5.260 4.988 4.743 5.237 . 0 0 "[ . 1 . 2]" 1
44 1 23 ALA HA 1 25 LYS H . . 4.020 3.835 3.556 4.001 . 0 0 "[ . 1 . 2]" 1
45 1 23 ALA HA 1 26 ASN H . . 4.300 3.827 3.084 4.305 0.005 4 0 "[ . 1 . 2]" 1
46 1 23 ALA HA 1 29 ILE MD . . 5.500 4.761 3.211 5.517 0.017 4 0 "[ . 1 . 2]" 1
47 1 23 ALA MB 1 24 ILE H . . 4.330 2.948 2.752 3.113 . 0 0 "[ . 1 . 2]" 1
48 1 23 ALA MB 1 24 ILE HA . . 5.500 3.986 3.760 4.129 . 0 0 "[ . 1 . 2]" 1
49 1 23 ALA MB 1 102 LEU QB . . 4.360 3.458 2.217 4.394 0.034 9 0 "[ . 1 . 2]" 1
50 1 23 ALA MB 1 102 LEU QD . . 3.790 2.194 1.892 2.898 . 0 0 "[ . 1 . 2]" 1
51 1 24 ILE H 1 24 ILE HB . . 4.030 3.706 3.646 3.768 . 0 0 "[ . 1 . 2]" 1
52 1 24 ILE H 1 24 ILE MD . . 4.710 3.667 2.890 4.004 . 0 0 "[ . 1 . 2]" 1
53 1 24 ILE H 1 24 ILE MG . . 3.860 2.467 2.054 2.723 . 0 0 "[ . 1 . 2]" 1
54 1 24 ILE H 1 25 LYS H . . 4.560 2.679 2.502 2.801 . 0 0 "[ . 1 . 2]" 1
55 1 24 ILE H 1 26 ASN QB . . 5.500 5.346 4.925 5.527 0.027 10 0 "[ . 1 . 2]" 1
56 1 24 ILE HA 1 26 ASN H . . 5.060 3.725 3.382 4.455 . 0 0 "[ . 1 . 2]" 1
57 1 24 ILE HB 1 25 LYS H . . 4.510 4.260 4.091 4.370 . 0 0 "[ . 1 . 2]" 1
58 1 24 ILE HB 1 25 LYS QE . . 5.340 5.213 4.496 5.382 0.042 6 0 "[ . 1 . 2]" 1
59 1 24 ILE HB 1 112 ALA MB . . 5.430 4.453 3.539 5.323 . 0 0 "[ . 1 . 2]" 1
60 1 24 ILE MD 1 25 LYS H . . 5.450 4.253 2.704 4.809 . 0 0 "[ . 1 . 2]" 1
61 1 24 ILE MD 1 84 GLN H . . 5.110 3.609 2.912 5.121 0.011 8 0 "[ . 1 . 2]" 1
62 1 24 ILE MD 1 84 GLN HA . . 4.130 2.575 2.034 3.394 . 0 0 "[ . 1 . 2]" 1
63 1 24 ILE MD 1 24 ILE MG . . 3.720 2.370 2.053 3.290 . 0 0 "[ . 1 . 2]" 1
64 1 24 ILE MG 1 25 LYS H . . 4.540 4.287 4.028 4.428 . 0 0 "[ . 1 . 2]" 1
65 1 24 ILE MG 1 105 TYR HA . . 5.500 4.754 3.910 5.534 0.034 9 0 "[ . 1 . 2]" 1
66 1 24 ILE MG 1 105 TYR QB . . 5.500 3.288 2.325 5.044 . 0 0 "[ . 1 . 2]" 1
67 1 24 ILE MG 1 105 TYR QD . . 5.130 2.881 2.265 4.128 . 0 0 "[ . 1 . 2]" 1
68 1 25 LYS H 1 25 LYS HB2 . . 4.090 2.452 2.293 2.677 . 0 0 "[ . 1 . 2]" 1
69 1 25 LYS H 1 25 LYS HB3 . . 4.090 3.088 2.485 3.725 . 0 0 "[ . 1 . 2]" 1
70 1 25 LYS H 1 25 LYS QB . . 3.540 2.329 2.175 2.567 . 0 0 "[ . 1 . 2]" 1
71 1 25 LYS H 1 26 ASN HA . . 5.500 4.996 4.622 5.198 . 0 0 "[ . 1 . 2]" 1
72 1 25 LYS H 1 26 ASN QB . . 4.710 4.236 3.722 4.488 . 0 0 "[ . 1 . 2]" 1
73 1 25 LYS HA 1 30 LYS QE . . 5.030 4.106 2.730 5.055 0.025 12 0 "[ . 1 . 2]" 1
74 1 25 LYS HB2 1 26 ASN H . . 4.850 3.815 3.139 4.392 . 0 0 "[ . 1 . 2]" 1
75 1 25 LYS HB3 1 26 ASN H . . 4.850 3.707 2.967 4.445 . 0 0 "[ . 1 . 2]" 1
76 1 25 LYS QB 1 26 ASN H . . 4.240 3.219 2.896 3.688 . 0 0 "[ . 1 . 2]" 1
77 1 25 LYS QG 1 26 ASN H . . 4.540 4.373 4.122 4.550 0.010 1 0 "[ . 1 . 2]" 1
78 1 26 ASN H 1 26 ASN QB . . 3.740 2.225 2.043 2.370 . 0 0 "[ . 1 . 2]" 1
79 1 26 ASN QB 1 28 ALA H . . 4.250 3.607 2.868 4.039 . 0 0 "[ . 1 . 2]" 1
80 1 26 ASN QB 1 29 ILE H . . 5.270 3.819 3.302 4.363 . 0 0 "[ . 1 . 2]" 1
81 1 26 ASN QB 1 29 ILE HB . . 5.500 5.351 4.578 5.571 0.071 11 0 "[ . 1 . 2]" 1
82 1 26 ASN QB 1 29 ILE MD . . 4.610 2.172 1.937 2.627 . 0 0 "[ . 1 . 2]" 1
83 1 27 PRO HA 1 30 LYS QG . . 5.340 4.223 2.275 5.262 . 0 0 "[ . 1 . 2]" 1
84 1 27 PRO QB 1 28 ALA H . . 3.690 3.252 2.593 3.697 0.007 5 0 "[ . 1 . 2]" 1
85 1 28 ALA H 1 28 ALA MB . . 3.440 2.174 2.130 2.217 . 0 0 "[ . 1 . 2]" 1
86 1 28 ALA H 1 29 ILE H . . 3.910 2.843 2.532 3.103 . 0 0 "[ . 1 . 2]" 1
87 1 28 ALA H 1 29 ILE MD . . 4.480 3.432 2.861 3.994 . 0 0 "[ . 1 . 2]" 1
88 1 28 ALA HA 1 29 ILE MD . . 4.890 4.604 4.187 4.919 0.029 18 0 "[ . 1 . 2]" 1
89 1 28 ALA MB 1 29 ILE HA . . 5.380 4.135 3.714 4.402 . 0 0 "[ . 1 . 2]" 1
90 1 28 ALA MB 1 29 ILE MD . . 4.380 3.251 2.184 4.408 0.028 17 0 "[ . 1 . 2]" 1
91 1 28 ALA MB 1 29 ILE MG . . 3.870 3.344 2.892 3.906 0.036 10 0 "[ . 1 . 2]" 1
92 1 29 ILE H 1 29 ILE MD . . 4.260 1.993 1.722 2.489 . 0 0 "[ . 1 . 2]" 1
93 1 29 ILE H 1 29 ILE QG . . 4.210 2.693 1.911 3.336 . 0 0 "[ . 1 . 2]" 1
94 1 29 ILE MD 1 29 ILE MG . . 3.710 2.458 2.041 3.293 . 0 0 "[ . 1 . 2]" 1
95 1 29 ILE MG 1 105 TYR H . . 4.520 4.485 3.913 4.587 0.067 7 0 "[ . 1 . 2]" 1
96 1 30 LYS H 1 30 LYS QB . . 3.310 2.234 2.118 2.358 . 0 0 "[ . 1 . 2]" 1
97 1 30 LYS H 1 30 LYS QG . . 4.120 3.299 2.297 4.025 . 0 0 "[ . 1 . 2]" 1
98 1 30 LYS H 1 104 SER HA . . 5.500 5.372 5.167 5.542 0.042 20 0 "[ . 1 . 2]" 1
99 1 30 LYS H 1 105 TYR H . . 5.500 4.707 4.384 5.245 . 0 0 "[ . 1 . 2]" 1
100 1 30 LYS HA 1 105 TYR H . . 4.840 2.980 2.617 3.566 . 0 0 "[ . 1 . 2]" 1
101 1 30 LYS QB 1 31 ASP H . . 4.480 3.284 2.524 3.842 . 0 0 "[ . 1 . 2]" 1
102 1 30 LYS QG 1 31 ASP H . . 4.710 3.105 2.263 3.903 . 0 0 "[ . 1 . 2]" 1
103 1 30 LYS QG 1 106 ASP H . . 5.340 5.135 4.631 5.404 0.064 14 0 "[ . 1 . 2]" 1
104 1 30 LYS QG 1 107 THR H . . 4.150 3.370 2.344 4.184 0.034 8 0 "[ . 1 . 2]" 1
105 1 31 ASP H 1 32 LYS H . . 4.760 2.731 2.372 2.957 . 0 0 "[ . 1 . 2]" 1
106 1 31 ASP H 1 105 TYR H . . 5.260 3.723 2.925 4.610 . 0 0 "[ . 1 . 2]" 1
107 1 31 ASP H 1 106 ASP HA . . 5.320 3.008 2.018 3.460 . 0 0 "[ . 1 . 2]" 1
108 1 31 ASP H 1 107 THR H . . 5.500 3.885 3.193 4.254 . 0 0 "[ . 1 . 2]" 1
109 1 31 ASP H 1 107 THR HB . . 5.500 5.296 4.308 5.533 0.033 1 0 "[ . 1 . 2]" 1
110 1 32 LYS H 1 32 LYS QB . . 3.710 2.475 2.099 2.737 . 0 0 "[ . 1 . 2]" 1
111 1 32 LYS H 1 104 SER QB . . 5.500 3.767 2.681 4.401 . 0 0 "[ . 1 . 2]" 1
112 1 32 LYS HA 1 32 LYS QD . . 4.900 3.398 2.175 4.292 . 0 0 "[ . 1 . 2]" 1
113 1 32 LYS QB 1 33 ASP H . . 5.500 2.833 2.380 3.865 . 0 0 "[ . 1 . 2]" 1
114 1 33 ASP H 1 34 HIS HA . . 5.500 4.964 4.662 5.471 . 0 0 "[ . 1 . 2]" 1
115 1 33 ASP QB 1 34 HIS H . . 5.500 2.928 2.336 3.830 . 0 0 "[ . 1 . 2]" 1
116 1 33 ASP QB 1 35 SER H . . 4.110 4.018 3.225 4.171 0.061 20 0 "[ . 1 . 2]" 1
117 1 34 HIS H 1 35 SER H . . 5.160 3.606 3.120 4.199 . 0 0 "[ . 1 . 2]" 1
118 1 38 ASN HA 1 39 SER H . . 3.340 3.210 3.060 3.349 0.009 2 0 "[ . 1 . 2]" 1
119 1 39 SER H 1 40 ARG H . . 4.560 4.446 4.352 4.538 . 0 0 "[ . 1 . 2]" 1
120 1 39 SER H 1 69 PHE QD . . 4.350 4.242 3.764 4.389 0.039 6 0 "[ . 1 . 2]" 1
121 1 39 SER HA 1 68 ILE HA . . 5.500 2.744 2.283 3.316 . 0 0 "[ . 1 . 2]" 1
122 1 39 SER HA 1 68 ILE QG . . 5.500 4.713 3.678 5.546 0.046 18 0 "[ . 1 . 2]" 1
123 1 39 SER HA 1 69 PHE QD . . 5.500 3.381 2.303 4.485 . 0 0 "[ . 1 . 2]" 1
124 1 39 SER QB 1 40 ARG H . . 4.170 2.638 2.299 3.598 . 0 0 "[ . 1 . 2]" 1
125 1 39 SER QB 1 66 ARG HA . . 5.500 4.527 3.817 5.535 0.035 19 0 "[ . 1 . 2]" 1
126 1 39 SER QB 1 66 ARG QB . . 5.500 3.274 2.376 4.408 . 0 0 "[ . 1 . 2]" 1
127 1 39 SER QB 1 67 VAL H . . 5.380 3.957 3.190 5.062 . 0 0 "[ . 1 . 2]" 1
128 1 40 ARG H 1 67 VAL H . . 5.100 3.087 2.943 3.495 . 0 0 "[ . 1 . 2]" 1
129 1 40 ARG H 1 67 VAL HA . . 5.500 4.800 4.584 4.966 . 0 0 "[ . 1 . 2]" 1
130 1 40 ARG H 1 67 VAL HB . . 4.330 3.206 2.534 3.537 . 0 0 "[ . 1 . 2]" 1
131 1 40 ARG H 1 69 PHE H . . 5.500 4.918 4.080 5.531 0.031 3 0 "[ . 1 . 2]" 1
132 1 40 ARG H 1 69 PHE QD . . 5.500 4.610 3.163 5.319 . 0 0 "[ . 1 . 2]" 1
133 1 40 ARG HA 1 67 VAL H . . 5.360 4.854 4.706 4.981 . 0 0 "[ . 1 . 2]" 1
134 1 40 ARG QB 1 67 VAL QG . . 4.110 3.609 3.086 4.180 0.070 7 0 "[ . 1 . 2]" 1
135 1 41 PRO HA 1 42 ILE MG . . 5.320 3.943 3.728 4.460 . 0 0 "[ . 1 . 2]" 1
136 1 41 PRO HA 1 66 ARG QB . . 5.500 3.448 2.285 4.773 . 0 0 "[ . 1 . 2]" 1
137 1 41 PRO QB 1 42 ILE H . . 4.000 2.802 2.622 3.015 . 0 0 "[ . 1 . 2]" 1
138 1 41 PRO QB 1 42 ILE MG . . 4.880 4.738 4.522 4.883 0.003 15 0 "[ . 1 . 2]" 1
139 1 42 ILE H 1 42 ILE MG . . 4.500 2.723 2.504 3.689 . 0 0 "[ . 1 . 2]" 1
140 1 42 ILE H 1 67 VAL H . . 5.420 4.520 4.259 4.680 . 0 0 "[ . 1 . 2]" 1
141 1 42 ILE HB 1 43 ASP H . . 4.300 3.673 2.103 3.971 . 0 0 "[ . 1 . 2]" 1
142 1 42 ILE HB 1 67 VAL QG . . 5.230 2.624 2.113 4.762 . 0 0 "[ . 1 . 2]" 1
143 1 42 ILE HB 1 149 GLN QB . . 5.340 4.746 3.967 5.336 . 0 0 "[ . 1 . 2]" 1
144 1 42 ILE QG 1 43 ASP H . . 4.430 2.010 1.702 4.168 . 0 0 "[ . 1 . 2]" 1
145 1 42 ILE QG 1 67 VAL QG . . 4.450 3.290 2.271 4.014 . 0 0 "[ . 1 . 2]" 1
146 1 42 ILE QG 1 147 PHE QB . . 5.340 4.400 3.226 5.054 . 0 0 "[ . 1 . 2]" 1
147 1 42 ILE QG 1 147 PHE QD . . 6.000 5.591 3.589 6.486 0.486 3 0 "[ . 1 . 2]" 1
148 1 42 ILE QG 1 148 ALA MB . . 3.660 2.768 2.245 3.679 0.019 7 0 "[ . 1 . 2]" 1
149 1 42 ILE QG 1 149 GLN H . . 4.180 3.326 2.902 4.212 0.032 2 0 "[ . 1 . 2]" 1
150 1 42 ILE MG 1 43 ASP H . . 5.040 2.968 2.607 3.664 . 0 0 "[ . 1 . 2]" 1
151 1 42 ILE MG 1 67 VAL H . . 5.190 3.598 3.230 4.670 . 0 0 "[ . 1 . 2]" 1
152 1 42 ILE MG 1 148 ALA MB . . 4.460 4.238 2.906 4.480 0.020 15 0 "[ . 1 . 2]" 1
153 1 42 ILE MG 1 149 GLN H . . 5.500 4.984 3.182 5.397 . 0 0 "[ . 1 . 2]" 1
154 1 43 ASP H 1 44 PHE H . . 5.210 4.398 4.329 4.500 . 0 0 "[ . 1 . 2]" 1
155 1 43 ASP HA 1 44 PHE H . . 3.570 2.578 2.333 2.713 . 0 0 "[ . 1 . 2]" 1
156 1 43 ASP HA 1 44 PHE QD . . 5.500 3.241 2.777 3.815 . 0 0 "[ . 1 . 2]" 1
157 1 43 ASP QB 1 44 PHE H . . 3.930 2.281 2.069 2.896 . 0 0 "[ . 1 . 2]" 1
158 1 43 ASP QB 1 44 PHE HA . . 4.510 4.111 3.732 4.530 0.020 5 0 "[ . 1 . 2]" 1
159 1 43 ASP QB 1 148 ALA MB . . 3.770 2.782 2.143 3.786 0.016 5 0 "[ . 1 . 2]" 1
160 1 44 PHE H 1 44 PHE QB . . 3.670 3.228 2.641 3.453 . 0 0 "[ . 1 . 2]" 1
161 1 44 PHE H 1 44 PHE QD . . 4.330 3.221 2.771 3.666 . 0 0 "[ . 1 . 2]" 1
162 1 44 PHE H 1 45 GLU H . . 5.400 4.416 4.326 4.473 . 0 0 "[ . 1 . 2]" 1
163 1 44 PHE H 1 148 ALA MB . . 4.530 3.940 3.561 4.373 . 0 0 "[ . 1 . 2]" 1
164 1 44 PHE HA 1 147 PHE HA . . 5.250 3.114 2.315 3.459 . 0 0 "[ . 1 . 2]" 1
165 1 44 PHE HA 1 148 ALA H . . 4.600 3.008 2.646 3.341 . 0 0 "[ . 1 . 2]" 1
166 1 44 PHE HA 1 148 ALA HA . . 4.220 4.253 4.179 4.289 0.069 18 0 "[ . 1 . 2]" 1
167 1 44 PHE HB2 1 45 GLU H . . 5.010 2.455 2.125 4.014 . 0 0 "[ . 1 . 2]" 1
168 1 44 PHE HB3 1 45 GLU H . . 5.010 3.449 2.293 3.827 . 0 0 "[ . 1 . 2]" 1
169 1 44 PHE QB 1 45 GLU H . . 4.360 2.276 2.108 2.661 . 0 0 "[ . 1 . 2]" 1
170 1 44 PHE QB 1 145 MET QB . . 3.930 3.854 3.145 4.008 0.078 12 0 "[ . 1 . 2]" 1
171 1 44 PHE QB 1 147 PHE HA . . 4.700 2.941 2.145 3.879 . 0 0 "[ . 1 . 2]" 1
172 1 44 PHE QB 1 148 ALA H . . 4.560 3.664 2.783 4.579 0.019 8 0 "[ . 1 . 2]" 1
173 1 44 PHE QD 1 45 GLU H . . 5.200 3.298 2.769 4.297 . 0 0 "[ . 1 . 2]" 1
174 1 44 PHE QD 1 45 GLU HA . . 5.500 3.846 2.814 5.560 0.060 17 0 "[ . 1 . 2]" 1
175 1 44 PHE QD 1 146 GLU H . . 5.500 4.170 3.047 5.326 . 0 0 "[ . 1 . 2]" 1
176 1 45 GLU H 1 146 GLU HA . . 5.450 4.819 4.688 4.904 . 0 0 "[ . 1 . 2]" 1
177 1 45 GLU H 1 146 GLU QB . . 4.720 3.622 3.206 4.032 . 0 0 "[ . 1 . 2]" 1
178 1 45 GLU H 1 146 GLU QG . . 5.000 4.847 4.331 5.034 0.034 19 0 "[ . 1 . 2]" 1
179 1 45 GLU H 1 147 PHE HA . . 5.500 4.161 3.446 4.544 . 0 0 "[ . 1 . 2]" 1
180 1 45 GLU HA 1 46 MET HA . . 5.500 4.542 4.379 4.656 . 0 0 "[ . 1 . 2]" 1
181 1 45 GLU QB 1 46 MET HA . . 4.970 4.336 4.000 4.781 . 0 0 "[ . 1 . 2]" 1
182 1 46 MET H 1 47 LYS H . . 5.500 4.388 4.009 4.585 . 0 0 "[ . 1 . 2]" 1
183 1 46 MET HA 1 47 LYS QG . . 5.500 3.685 3.382 4.081 . 0 0 "[ . 1 . 2]" 1
184 1 46 MET HA 1 144 LEU H . . 5.500 5.111 4.765 5.404 . 0 0 "[ . 1 . 2]" 1
185 1 46 MET HA 1 145 MET HA . . 5.120 2.299 2.005 2.690 . 0 0 "[ . 1 . 2]" 1
186 1 46 MET HA 1 145 MET QB . . 5.410 3.809 2.857 4.311 . 0 0 "[ . 1 . 2]" 1
187 1 46 MET HA 1 146 GLU H . . 5.160 3.471 3.206 3.990 . 0 0 "[ . 1 . 2]" 1
188 1 46 MET QB 1 47 LYS H . . 5.500 3.098 2.555 3.936 . 0 0 "[ . 1 . 2]" 1
189 1 46 MET QB 1 47 LYS QB . . 4.540 4.574 4.509 4.628 0.088 2 0 "[ . 1 . 2]" 1
190 1 46 MET QB 1 53 GLN HA . . 5.230 4.866 4.446 5.299 0.069 10 0 "[ . 1 . 2]" 1
191 1 46 MET QB 1 54 GLN QB . . 3.830 2.513 2.104 3.553 . 0 0 "[ . 1 . 2]" 1
192 1 47 LYS H 1 47 LYS QG . . 4.790 2.661 2.474 3.073 . 0 0 "[ . 1 . 2]" 1
193 1 47 LYS H 1 48 LYS H . . 5.500 4.424 4.312 4.536 . 0 0 "[ . 1 . 2]" 1
194 1 47 LYS H 1 48 LYS HA . . 5.500 4.809 4.645 5.106 . 0 0 "[ . 1 . 2]" 1
195 1 47 LYS H 1 144 LEU H . . 5.500 3.428 3.104 3.693 . 0 0 "[ . 1 . 2]" 1
196 1 47 LYS H 1 144 LEU QD . . 4.850 4.486 3.860 5.031 0.181 8 0 "[ . 1 . 2]" 1
197 1 47 LYS H 1 145 MET H . . 5.500 4.956 4.717 5.145 . 0 0 "[ . 1 . 2]" 1
198 1 47 LYS H 1 145 MET HA . . 5.270 3.612 3.180 3.802 . 0 0 "[ . 1 . 2]" 1
199 1 47 LYS H 1 146 GLU H . . 5.500 4.984 4.452 5.439 . 0 0 "[ . 1 . 2]" 1
200 1 47 LYS HA 1 53 GLN HA . . 4.810 2.657 2.138 3.396 . 0 0 "[ . 1 . 2]" 1
201 1 47 LYS HA 1 144 LEU H . . 5.500 4.844 4.255 5.178 . 0 0 "[ . 1 . 2]" 1
202 1 47 LYS QD 1 51 GLY H . . 5.190 5.162 4.682 5.250 0.060 1 0 "[ . 1 . 2]" 1
203 1 47 LYS QG 1 145 MET HA . . 4.790 4.707 3.705 4.842 0.052 19 0 "[ . 1 . 2]" 1
204 1 48 LYS H 1 48 LYS QE . . 5.500 4.946 4.437 5.596 0.096 4 0 "[ . 1 . 2]" 1
205 1 48 LYS H 1 48 LYS QG . . 4.440 3.496 2.591 4.258 . 0 0 "[ . 1 . 2]" 1
206 1 48 LYS H 1 49 LYS HA . . 5.500 5.327 5.087 5.526 0.026 14 0 "[ . 1 . 2]" 1
207 1 48 LYS H 1 50 ASP H . . 5.500 5.129 4.634 5.517 0.017 8 0 "[ . 1 . 2]" 1
208 1 48 LYS H 1 51 GLY H . . 5.500 4.119 3.574 4.578 . 0 0 "[ . 1 . 2]" 1
209 1 48 LYS H 1 52 THR H . . 5.500 3.387 2.967 3.959 . 0 0 "[ . 1 . 2]" 1
210 1 48 LYS H 1 53 GLN HA . . 5.500 4.087 3.703 4.671 . 0 0 "[ . 1 . 2]" 1
211 1 48 LYS H 1 54 GLN H . . 5.500 5.410 4.989 5.549 0.049 13 0 "[ . 1 . 2]" 1
212 1 48 LYS HA 1 50 ASP H . . 5.120 4.494 3.951 4.808 . 0 0 "[ . 1 . 2]" 1
213 1 48 LYS HB2 1 49 LYS H . . 5.190 3.358 2.151 4.443 . 0 0 "[ . 1 . 2]" 1
214 1 48 LYS HB3 1 49 LYS H . . 5.190 3.774 3.388 4.208 . 0 0 "[ . 1 . 2]" 1
215 1 48 LYS QB 1 50 ASP H . . 4.840 3.451 2.480 4.124 . 0 0 "[ . 1 . 2]" 1
216 1 48 LYS QD 1 49 LYS HA . . 5.170 4.973 4.342 5.244 0.074 8 0 "[ . 1 . 2]" 1
217 1 48 LYS QD 1 50 ASP H . . 4.500 2.372 2.040 3.104 . 0 0 "[ . 1 . 2]" 1
218 1 48 LYS QD 1 51 GLY H . . 4.800 4.385 3.110 4.811 0.011 18 0 "[ . 1 . 2]" 1
219 1 48 LYS QD 1 52 THR H . . 4.730 4.271 2.417 4.753 0.023 9 0 "[ . 1 . 2]" 1
220 1 48 LYS QE 1 50 ASP HA . . 5.190 4.991 4.215 5.242 0.052 6 0 "[ . 1 . 2]" 1
221 1 49 LYS H 1 50 ASP H . . 4.800 3.022 2.769 3.355 . 0 0 "[ . 1 . 2]" 1
222 1 49 LYS H 1 51 GLY H . . 5.500 4.393 4.152 4.570 . 0 0 "[ . 1 . 2]" 1
223 1 49 LYS HA 1 142 TYR QD . . 5.320 5.251 4.559 5.385 0.065 18 0 "[ . 1 . 2]" 1
224 1 49 LYS HB2 1 50 ASP H . . 4.580 3.776 2.882 4.218 . 0 0 "[ . 1 . 2]" 1
225 1 49 LYS HB3 1 50 ASP H . . 4.580 3.333 2.438 4.362 . 0 0 "[ . 1 . 2]" 1
226 1 49 LYS QB 1 50 ASP H . . 4.000 2.971 2.413 3.773 . 0 0 "[ . 1 . 2]" 1
227 1 49 LYS QB 1 50 ASP HA . . 5.340 4.406 4.140 4.876 . 0 0 "[ . 1 . 2]" 1
228 1 49 LYS QB 1 51 GLY H . . 4.720 4.636 4.440 4.729 0.009 1 0 "[ . 1 . 2]" 1
229 1 49 LYS QG 1 50 ASP H . . 5.500 3.923 2.652 4.727 . 0 0 "[ . 1 . 2]" 1
230 1 49 LYS QG 1 51 GLY H . . 5.500 5.051 4.640 5.509 0.009 14 0 "[ . 1 . 2]" 1
231 1 50 ASP H 1 51 GLY H . . 4.390 2.835 2.645 3.124 . 0 0 "[ . 1 . 2]" 1
232 1 50 ASP H 1 52 THR H . . 5.500 3.983 3.392 4.358 . 0 0 "[ . 1 . 2]" 1
233 1 50 ASP HB2 1 51 GLY H . . 5.500 4.212 3.359 4.480 . 0 0 "[ . 1 . 2]" 1
234 1 50 ASP HB2 1 52 THR H . . 5.500 4.620 2.969 5.530 0.030 10 0 "[ . 1 . 2]" 1
235 1 50 ASP HB3 1 51 GLY H . . 5.500 3.863 3.408 4.497 . 0 0 "[ . 1 . 2]" 1
236 1 50 ASP HB3 1 52 THR H . . 5.500 3.849 2.711 5.273 . 0 0 "[ . 1 . 2]" 1
237 1 52 THR H 1 53 GLN H . . 5.500 4.537 4.367 4.710 . 0 0 "[ . 1 . 2]" 1
238 1 52 THR HB 1 143 THR MG . . 3.740 3.813 3.771 3.861 0.121 3 0 "[ . 1 . 2]" 1
239 1 52 THR MG 1 54 GLN H . . 5.040 4.488 3.371 4.826 . 0 0 "[ . 1 . 2]" 1
240 1 53 GLN QB 1 54 GLN H . . 4.750 3.431 2.660 3.969 . 0 0 "[ . 1 . 2]" 1
241 1 59 ALA H 1 60 SER H . . 5.500 2.841 2.502 3.462 . 0 0 "[ . 1 . 2]" 1
242 1 59 ALA MB 1 60 SER H . . 4.450 2.792 2.197 3.267 . 0 0 "[ . 1 . 2]" 1
243 1 59 ALA MB 1 61 SER H . . 5.500 4.570 4.079 5.110 . 0 0 "[ . 1 . 2]" 1
244 1 60 SER H 1 61 SER H . . 4.570 2.386 2.072 2.879 . 0 0 "[ . 1 . 2]" 1
245 1 60 SER H 1 61 SER HA . . 5.500 4.765 3.817 5.475 . 0 0 "[ . 1 . 2]" 1
246 1 60 SER H 1 86 TRP HE1 . . 5.500 5.011 3.937 5.563 0.063 12 0 "[ . 1 . 2]" 1
247 1 60 SER QB 1 86 TRP HE1 . . 4.850 4.563 3.186 4.902 0.052 16 0 "[ . 1 . 2]" 1
248 1 65 ALA HA 1 78 LEU HA . . 5.500 2.655 2.173 3.569 . 0 0 "[ . 1 . 2]" 1
249 1 65 ALA MB 1 66 ARG H . . 3.860 2.299 2.103 2.596 . 0 0 "[ . 1 . 2]" 1
250 1 66 ARG H 1 67 VAL H . . 5.500 4.292 4.156 4.430 . 0 0 "[ . 1 . 2]" 1
251 1 66 ARG H 1 76 ILE HA . . 5.240 4.652 4.348 4.973 . 0 0 "[ . 1 . 2]" 1
252 1 66 ARG H 1 76 ILE MG . . 5.390 5.053 3.995 5.429 0.039 7 0 "[ . 1 . 2]" 1
253 1 66 ARG H 1 77 GLU H . . 5.180 2.923 2.746 3.096 . 0 0 "[ . 1 . 2]" 1
254 1 66 ARG H 1 78 LEU H . . 5.500 5.088 4.979 5.322 . 0 0 "[ . 1 . 2]" 1
255 1 66 ARG H 1 78 LEU HA . . 5.500 3.841 3.615 4.191 . 0 0 "[ . 1 . 2]" 1
256 1 66 ARG HA 1 67 VAL HB . . 5.500 4.566 4.270 4.740 . 0 0 "[ . 1 . 2]" 1
257 1 66 ARG HA 1 68 ILE H . . 5.500 5.581 5.468 5.635 0.135 1 0 "[ . 1 . 2]" 1
258 1 66 ARG QB 1 68 ILE MD . . 5.050 3.154 2.158 4.421 . 0 0 "[ . 1 . 2]" 1
259 1 66 ARG QD 1 68 ILE H . . 5.500 5.512 5.121 5.580 0.080 17 0 "[ . 1 . 2]" 1
260 1 66 ARG QD 1 68 ILE MD . . 4.630 3.014 2.197 4.603 . 0 0 "[ . 1 . 2]" 1
261 1 67 VAL H 1 67 VAL HB . . 4.040 2.559 2.292 2.622 . 0 0 "[ . 1 . 2]" 1
262 1 67 VAL H 1 67 VAL MG1 . . 4.580 3.856 3.714 3.896 . 0 0 "[ . 1 . 2]" 1
263 1 67 VAL H 1 67 VAL MG2 . . 4.580 2.488 2.246 2.824 . 0 0 "[ . 1 . 2]" 1
264 1 67 VAL H 1 67 VAL QG . . 4.010 2.457 2.231 2.742 . 0 0 "[ . 1 . 2]" 1
265 1 67 VAL H 1 68 ILE H . . 5.500 4.299 4.222 4.390 . 0 0 "[ . 1 . 2]" 1
266 1 67 VAL H 1 68 ILE QG . . 5.500 4.996 4.232 5.395 . 0 0 "[ . 1 . 2]" 1
267 1 67 VAL HA 1 76 ILE HA . . 5.500 2.828 2.368 3.410 . 0 0 "[ . 1 . 2]" 1
268 1 67 VAL HA 1 76 ILE MG . . 5.500 2.918 1.926 5.421 . 0 0 "[ . 1 . 2]" 1
269 1 67 VAL HA 1 77 GLU H . . 5.500 4.033 3.739 4.640 . 0 0 "[ . 1 . 2]" 1
270 1 67 VAL HA 1 151 ILE MD . . 5.500 4.656 3.472 5.511 0.011 16 0 "[ . 1 . 2]" 1
271 1 67 VAL HB 1 68 ILE H . . 5.050 4.335 4.190 4.459 . 0 0 "[ . 1 . 2]" 1
272 1 67 VAL QG 1 68 ILE H . . 4.200 2.983 2.824 3.203 . 0 0 "[ . 1 . 2]" 1
273 1 67 VAL QG 1 68 ILE HA . . 5.270 3.955 3.515 4.174 . 0 0 "[ . 1 . 2]" 1
274 1 67 VAL QG 1 74 PRO QB . . 4.170 3.115 2.170 4.153 . 0 0 "[ . 1 . 2]" 1
275 1 67 VAL QG 1 151 ILE MD . . 4.960 2.465 2.124 3.057 . 0 0 "[ . 1 . 2]" 1
276 1 68 ILE H 1 68 ILE MD . . 4.310 3.128 2.007 4.051 . 0 0 "[ . 1 . 2]" 1
277 1 68 ILE H 1 68 ILE QG . . 5.000 2.500 2.089 3.378 . 0 0 "[ . 1 . 2]" 1
278 1 68 ILE H 1 69 PHE H . . 5.500 4.447 4.236 4.633 . 0 0 "[ . 1 . 2]" 1
279 1 68 ILE H 1 69 PHE QD . . 5.500 5.448 5.006 5.525 0.025 19 0 "[ . 1 . 2]" 1
280 1 68 ILE H 1 75 GLU H . . 5.460 3.824 3.508 4.159 . 0 0 "[ . 1 . 2]" 1
281 1 68 ILE H 1 75 GLU QG . . 5.500 5.004 3.925 5.587 0.087 16 0 "[ . 1 . 2]" 1
282 1 68 ILE H 1 76 ILE H . . 5.500 4.692 4.322 4.819 . 0 0 "[ . 1 . 2]" 1
283 1 68 ILE H 1 76 ILE HA . . 5.200 2.596 2.272 2.918 . 0 0 "[ . 1 . 2]" 1
284 1 68 ILE H 1 76 ILE MD . . 5.420 5.354 3.492 5.499 0.079 18 0 "[ . 1 . 2]" 1
285 1 68 ILE H 1 77 GLU H . . 5.500 4.196 3.778 4.654 . 0 0 "[ . 1 . 2]" 1
286 1 68 ILE HA 1 68 ILE MD . . 4.390 2.997 2.193 3.884 . 0 0 "[ . 1 . 2]" 1
287 1 68 ILE HA 1 69 PHE HA . . 5.500 4.368 4.262 4.443 . 0 0 "[ . 1 . 2]" 1
288 1 68 ILE HA 1 75 GLU H . . 5.500 5.232 4.895 5.538 0.038 3 0 "[ . 1 . 2]" 1
289 1 68 ILE HB 1 69 PHE H . . 5.280 4.169 3.880 4.443 . 0 0 "[ . 1 . 2]" 1
290 1 68 ILE HB 1 75 GLU H . . 4.270 3.413 2.724 3.801 . 0 0 "[ . 1 . 2]" 1
291 1 68 ILE MD 1 69 PHE H . . 5.100 4.583 3.853 5.149 0.049 20 0 "[ . 1 . 2]" 1
292 1 68 ILE QG 1 75 GLU QB . . 5.030 3.646 2.657 4.397 . 0 0 "[ . 1 . 2]" 1
293 1 68 ILE QG 1 77 GLU H . . 5.250 3.612 2.794 5.072 . 0 0 "[ . 1 . 2]" 1
294 1 68 ILE MG 1 69 PHE H . . 4.210 2.793 2.309 3.315 . 0 0 "[ . 1 . 2]" 1
295 1 68 ILE MG 1 70 THR H . . 5.500 4.659 3.520 5.256 . 0 0 "[ . 1 . 2]" 1
296 1 68 ILE MG 1 75 GLU H . . 5.060 4.326 3.903 4.791 . 0 0 "[ . 1 . 2]" 1
297 1 68 ILE MG 1 75 GLU QB . . 4.000 3.229 2.563 3.970 . 0 0 "[ . 1 . 2]" 1
298 1 69 PHE H 1 69 PHE QD . . 4.660 2.940 1.936 3.257 . 0 0 "[ . 1 . 2]" 1
299 1 69 PHE H 1 70 THR H . . 5.500 4.432 3.969 4.621 . 0 0 "[ . 1 . 2]" 1
300 1 69 PHE H 1 75 GLU H . . 5.500 5.423 5.021 5.569 0.069 15 0 "[ . 1 . 2]" 1
301 1 69 PHE HA 1 75 GLU H . . 5.150 4.337 3.390 5.016 . 0 0 "[ . 1 . 2]" 1
302 1 69 PHE HB2 1 70 THR H . . 4.780 4.100 2.983 4.535 . 0 0 "[ . 1 . 2]" 1
303 1 69 PHE HB3 1 70 THR H . . 4.780 3.560 3.025 4.259 . 0 0 "[ . 1 . 2]" 1
304 1 69 PHE QD 1 70 THR H . . 4.500 4.090 3.809 4.542 0.042 6 0 "[ . 1 . 2]" 1
305 1 69 PHE QD 1 153 ASN HA . . 5.500 4.095 2.615 5.522 0.022 15 0 "[ . 1 . 2]" 1
306 1 70 THR H 1 70 THR MG . . 4.470 3.818 2.840 4.072 . 0 0 "[ . 1 . 2]" 1
307 1 70 THR H 1 71 ASP H . . 5.500 4.315 4.182 4.555 . 0 0 "[ . 1 . 2]" 1
308 1 70 THR H 1 74 PRO QB . . 5.340 3.748 2.228 5.192 . 0 0 "[ . 1 . 2]" 1
309 1 70 THR H 1 74 PRO QG . . 5.500 5.249 4.278 5.533 0.033 10 0 "[ . 1 . 2]" 1
310 1 70 THR H 1 75 GLU H . . 5.500 4.159 2.820 4.840 . 0 0 "[ . 1 . 2]" 1
311 1 70 THR HB 1 71 ASP H . . 4.370 2.639 1.804 3.889 . 0 0 "[ . 1 . 2]" 1
312 1 70 THR HB 1 73 LYS H . . 4.470 4.467 4.157 4.528 0.058 6 0 "[ . 1 . 2]" 1
313 1 70 THR MG 1 71 ASP H . . 4.920 2.073 1.631 3.519 . 0 0 "[ . 1 . 2]" 1
314 1 70 THR MG 1 74 PRO HA . . 5.500 3.835 3.093 4.612 . 0 0 "[ . 1 . 2]" 1
315 1 71 ASP H 1 72 SER H . . 4.920 4.262 3.234 4.572 . 0 0 "[ . 1 . 2]" 1
316 1 71 ASP HA 1 73 LYS H . . 4.400 4.415 4.240 4.518 0.118 12 0 "[ . 1 . 2]" 1
317 1 71 ASP QB 1 72 SER H . . 4.000 2.407 1.908 3.174 . 0 0 "[ . 1 . 2]" 1
318 1 72 SER H 1 73 LYS H . . 3.000 2.865 2.371 3.026 0.026 15 0 "[ . 1 . 2]" 1
319 1 72 SER QB 1 73 LYS H . . 4.310 3.508 2.663 3.913 . 0 0 "[ . 1 . 2]" 1
320 1 73 LYS H 1 73 LYS QB . . 3.920 2.644 2.456 3.177 . 0 0 "[ . 1 . 2]" 1
321 1 74 PRO QB 1 118 VAL H . . 5.050 4.248 3.254 5.057 0.007 17 0 "[ . 1 . 2]" 1
322 1 74 PRO QB 1 118 VAL QG . . 4.860 3.153 2.111 5.340 0.480 7 0 "[ . 1 . 2]" 1
323 1 74 PRO QG 1 118 VAL H . . 4.660 4.176 3.524 4.700 0.040 13 0 "[ . 1 . 2]" 1
324 1 74 PRO QG 1 151 ILE MG . . 4.610 2.940 2.231 4.298 . 0 0 "[ . 1 . 2]" 1
325 1 74 PRO QG 1 153 ASN H . . 4.890 3.376 2.440 4.374 . 0 0 "[ . 1 . 2]" 1
326 1 74 PRO QG 1 153 ASN HA . . 5.500 3.955 3.263 5.411 . 0 0 "[ . 1 . 2]" 1
327 1 75 GLU H 1 76 ILE H . . 5.330 4.426 4.321 4.505 . 0 0 "[ . 1 . 2]" 1
328 1 75 GLU H 1 117 SER HA . . 5.500 4.770 4.578 5.276 . 0 0 "[ . 1 . 2]" 1
329 1 75 GLU H 1 118 VAL H . . 5.500 4.829 4.415 5.386 . 0 0 "[ . 1 . 2]" 1
330 1 75 GLU HA 1 117 SER HA . . 4.570 2.215 1.926 2.613 . 0 0 "[ . 1 . 2]" 1
331 1 75 GLU HA 1 118 VAL H . . 4.380 3.107 2.468 3.706 . 0 0 "[ . 1 . 2]" 1
332 1 75 GLU QB 1 76 ILE H . . 4.330 3.269 2.309 3.799 . 0 0 "[ . 1 . 2]" 1
333 1 76 ILE H 1 76 ILE MD . . 5.240 3.959 2.130 4.786 . 0 0 "[ . 1 . 2]" 1
334 1 76 ILE H 1 77 GLU H . . 5.210 4.446 4.357 4.536 . 0 0 "[ . 1 . 2]" 1
335 1 76 ILE H 1 116 PHE H . . 4.630 2.912 2.722 3.062 . 0 0 "[ . 1 . 2]" 1
336 1 76 ILE H 1 117 SER H . . 5.500 4.991 4.814 5.438 . 0 0 "[ . 1 . 2]" 1
337 1 76 ILE H 1 118 VAL H . . 5.500 4.514 3.975 4.975 . 0 0 "[ . 1 . 2]" 1
338 1 76 ILE H 1 118 VAL QG . . 4.520 3.243 2.559 4.359 . 0 0 "[ . 1 . 2]" 1
339 1 76 ILE MD 1 77 GLU H . . 5.040 4.055 2.738 4.465 . 0 0 "[ . 1 . 2]" 1
340 1 76 ILE MD 1 116 PHE H . . 5.500 4.812 2.610 5.587 0.087 8 0 "[ . 1 . 2]" 1
341 1 76 ILE MD 1 118 VAL QG . . 3.820 2.683 1.837 3.706 . 0 0 "[ . 1 . 2]" 1
342 1 76 ILE MD 1 151 ILE MG . . 3.930 2.907 2.055 3.943 0.013 16 0 "[ . 1 . 2]" 1
343 1 76 ILE QG 1 77 GLU H . . 4.780 3.230 2.396 3.954 . 0 0 "[ . 1 . 2]" 1
344 1 76 ILE QG 1 78 LEU H . . 4.730 4.678 4.140 4.754 0.024 20 0 "[ . 1 . 2]" 1
345 1 76 ILE QG 1 116 PHE H . . 4.730 4.133 3.411 4.838 0.108 13 0 "[ . 1 . 2]" 1
346 1 76 ILE QG 1 151 ILE MG . . 3.550 3.581 3.514 3.603 0.053 13 0 "[ . 1 . 2]" 1
347 1 76 ILE MG 1 77 GLU H . . 4.520 3.837 3.283 4.080 . 0 0 "[ . 1 . 2]" 1
348 1 77 GLU HA 1 78 LEU QB . . 5.090 4.056 3.480 4.568 . 0 0 "[ . 1 . 2]" 1
349 1 77 GLU HA 1 114 ILE H . . 5.500 4.719 4.552 4.878 . 0 0 "[ . 1 . 2]" 1
350 1 77 GLU HA 1 115 ARG HA . . 5.500 2.323 2.148 2.766 . 0 0 "[ . 1 . 2]" 1
351 1 77 GLU HA 1 116 PHE H . . 5.170 3.805 3.405 4.271 . 0 0 "[ . 1 . 2]" 1
352 1 77 GLU QB 1 78 LEU H . . 4.880 3.288 2.744 3.993 . 0 0 "[ . 1 . 2]" 1
353 1 77 GLU QG 1 78 LEU H . . 4.650 3.531 2.493 4.219 . 0 0 "[ . 1 . 2]" 1
354 1 78 LEU H 1 79 GLY H . . 5.500 4.417 4.303 4.545 . 0 0 "[ . 1 . 2]" 1
355 1 78 LEU H 1 79 GLY QA . . 5.340 4.736 4.597 4.866 . 0 0 "[ . 1 . 2]" 1
356 1 78 LEU H 1 114 ILE HA . . 5.500 4.847 4.736 5.015 . 0 0 "[ . 1 . 2]" 1
357 1 78 LEU H 1 115 ARG H . . 5.500 4.935 4.782 5.149 . 0 0 "[ . 1 . 2]" 1
358 1 78 LEU H 1 115 ARG HA . . 5.460 3.568 3.287 3.871 . 0 0 "[ . 1 . 2]" 1
359 1 78 LEU H 1 116 PHE H . . 5.500 5.243 4.946 5.490 . 0 0 "[ . 1 . 2]" 1
360 1 78 LEU QB 1 79 GLY H . . 5.500 3.268 2.596 3.948 . 0 0 "[ . 1 . 2]" 1
361 1 78 LEU QB 1 80 LEU H . . 5.500 5.100 4.272 5.526 0.026 19 0 "[ . 1 . 2]" 1
362 1 78 LEU QB 1 80 LEU QD . . 5.440 3.609 2.236 5.130 . 0 0 "[ . 1 . 2]" 1
363 1 78 LEU QD 1 114 ILE MD . . 3.750 2.751 2.215 4.209 0.459 10 0 "[ . 1 . 2]" 1
364 1 79 GLY H 1 80 LEU H . . 5.500 4.431 4.259 4.544 . 0 0 "[ . 1 . 2]" 1
365 1 79 GLY HA2 1 114 ILE H . . 5.500 3.670 3.446 3.965 . 0 0 "[ . 1 . 2]" 1
366 1 79 GLY HA3 1 114 ILE H . . 5.500 5.232 4.813 5.500 . 0 0 "[ . 1 . 2]" 1
367 1 79 GLY QA 1 112 ALA H . . 5.340 4.176 3.675 4.638 . 0 0 "[ . 1 . 2]" 1
368 1 79 GLY QA 1 113 TYR HA . . 5.340 2.347 2.146 2.742 . 0 0 "[ . 1 . 2]" 1
369 1 79 GLY QA 1 114 ILE H . . 4.760 3.601 3.391 3.879 . 0 0 "[ . 1 . 2]" 1
370 1 80 LEU H 1 80 LEU QD . . 4.710 3.049 2.282 3.989 . 0 0 "[ . 1 . 2]" 1
371 1 80 LEU H 1 81 GLN H . . 5.500 4.500 4.337 4.617 . 0 0 "[ . 1 . 2]" 1
372 1 80 LEU H 1 112 ALA H . . 5.500 3.127 2.907 3.423 . 0 0 "[ . 1 . 2]" 1
373 1 80 LEU H 1 112 ALA MB . . 4.530 3.622 3.255 3.889 . 0 0 "[ . 1 . 2]" 1
374 1 80 LEU H 1 113 TYR HA . . 4.890 3.328 3.001 3.585 . 0 0 "[ . 1 . 2]" 1
375 1 80 LEU H 1 113 TYR QB . . 5.340 5.078 3.443 5.349 0.009 11 0 "[ . 1 . 2]" 1
376 1 80 LEU H 1 113 TYR QD . . 5.500 4.758 4.181 5.340 . 0 0 "[ . 1 . 2]" 1
377 1 80 LEU QB 1 81 GLN H . . 5.340 2.931 2.261 3.823 . 0 0 "[ . 1 . 2]" 1
378 1 80 LEU QD 1 81 GLN H . . 5.390 3.340 2.059 4.312 . 0 0 "[ . 1 . 2]" 1
379 1 81 GLN H 1 82 SER H . . 5.500 4.498 4.303 4.612 . 0 0 "[ . 1 . 2]" 1
380 1 81 GLN H 1 83 GLY H . . 5.500 5.304 4.888 5.515 0.015 3 0 "[ . 1 . 2]" 1
381 1 82 SER H 1 83 GLY H . . 5.240 2.820 2.465 3.120 . 0 0 "[ . 1 . 2]" 1
382 1 82 SER H 1 83 GLY QA . . 5.500 4.565 4.222 4.820 . 0 0 "[ . 1 . 2]" 1
383 1 82 SER H 1 84 GLN H . . 5.500 4.975 4.503 5.391 . 0 0 "[ . 1 . 2]" 1
384 1 82 SER HA 1 84 GLN H . . 5.500 3.344 2.984 3.808 . 0 0 "[ . 1 . 2]" 1
385 1 82 SER HA 1 85 PHE H . . 5.500 4.330 3.856 4.735 . 0 0 "[ . 1 . 2]" 1
386 1 82 SER QB 1 84 GLN H . . 5.340 4.154 3.819 5.115 . 0 0 "[ . 1 . 2]" 1
387 1 82 SER QB 1 85 PHE QB . . 5.180 3.040 2.191 3.675 . 0 0 "[ . 1 . 2]" 1
388 1 82 SER QB 1 86 TRP H . . 4.840 4.604 3.733 4.885 0.045 6 0 "[ . 1 . 2]" 1
389 1 82 SER QB 1 86 TRP HE1 . . 5.210 3.847 3.099 5.233 0.023 17 0 "[ . 1 . 2]" 1
390 1 83 GLY H 1 84 GLN H . . 5.500 2.890 2.610 3.165 . 0 0 "[ . 1 . 2]" 1
391 1 83 GLY H 1 84 GLN QB . . 5.500 4.824 4.346 5.351 . 0 0 "[ . 1 . 2]" 1
392 1 83 GLY H 1 85 PHE H . . 5.500 4.442 4.186 4.698 . 0 0 "[ . 1 . 2]" 1
393 1 83 GLY H 1 111 TYR HA . . 5.500 3.932 2.966 5.337 . 0 0 "[ . 1 . 2]" 1
394 1 83 GLY QA 1 85 PHE H . . 5.500 3.470 3.220 3.771 . 0 0 "[ . 1 . 2]" 1
395 1 83 GLY QA 1 86 TRP H . . 5.500 3.110 2.784 3.699 . 0 0 "[ . 1 . 2]" 1
396 1 84 GLN H 1 84 GLN QG . . 4.780 3.008 1.938 4.064 . 0 0 "[ . 1 . 2]" 1
397 1 84 GLN H 1 85 PHE H . . 5.500 2.717 2.394 2.890 . 0 0 "[ . 1 . 2]" 1
398 1 84 GLN H 1 85 PHE HA . . 5.500 5.355 5.038 5.514 0.014 9 0 "[ . 1 . 2]" 1
399 1 84 GLN H 1 85 PHE QB . . 5.340 4.737 4.360 5.028 . 0 0 "[ . 1 . 2]" 1
400 1 84 GLN H 1 85 PHE QD . . 5.500 4.192 2.791 5.272 . 0 0 "[ . 1 . 2]" 1
401 1 84 GLN H 1 112 ALA MB . . 5.500 5.387 4.766 5.558 0.058 18 0 "[ . 1 . 2]" 1
402 1 84 GLN QB 1 85 PHE H . . 5.500 3.383 2.842 3.953 . 0 0 "[ . 1 . 2]" 1
403 1 84 GLN QG 1 85 PHE H . . 5.500 3.972 2.521 4.694 . 0 0 "[ . 1 . 2]" 1
404 1 85 PHE H 1 85 PHE QD . . 5.090 2.923 2.159 3.552 . 0 0 "[ . 1 . 2]" 1
405 1 85 PHE H 1 86 TRP H . . 4.510 2.212 1.980 2.347 . 0 0 "[ . 1 . 2]" 1
406 1 86 TRP H 1 86 TRP HE1 . . 5.500 4.997 4.357 5.509 0.009 1 0 "[ . 1 . 2]" 1
407 1 86 TRP H 1 87 ARG H . . 5.500 4.580 4.177 4.687 . 0 0 "[ . 1 . 2]" 1
408 1 86 TRP HA 1 131 THR HB . . 5.470 4.109 2.991 5.377 . 0 0 "[ . 1 . 2]" 1
409 1 86 TRP HA 1 132 HIS H . . 5.000 3.850 3.537 4.064 . 0 0 "[ . 1 . 2]" 1
410 1 86 TRP QB 1 87 ARG H . . 5.350 3.079 2.262 3.843 . 0 0 "[ . 1 . 2]" 1
411 1 87 ARG H 1 88 LYS H . . 5.500 2.787 1.990 3.798 . 0 0 "[ . 1 . 2]" 1
412 1 87 ARG H 1 130 SER QB . . 5.500 4.132 3.334 4.836 . 0 0 "[ . 1 . 2]" 1
413 1 87 ARG H 1 131 THR HA . . 5.150 2.885 2.031 3.853 . 0 0 "[ . 1 . 2]" 1
414 1 87 ARG H 1 131 THR MG . . 5.500 3.758 3.071 5.201 . 0 0 "[ . 1 . 2]" 1
415 1 87 ARG H 1 132 HIS H . . 5.500 4.455 3.531 5.502 0.002 17 0 "[ . 1 . 2]" 1
416 1 87 ARG QB 1 88 LYS H . . 4.040 2.447 1.914 3.680 . 0 0 "[ . 1 . 2]" 1
417 1 87 ARG QB 1 132 HIS QB . . 4.180 3.738 2.997 4.200 0.020 16 0 "[ . 1 . 2]" 1
418 1 88 LYS H 1 130 SER H . . 5.500 3.237 2.448 4.683 . 0 0 "[ . 1 . 2]" 1
419 1 90 GLU QB 1 91 VAL H . . 5.070 3.088 2.528 3.671 . 0 0 "[ . 1 . 2]" 1
420 1 90 GLU QB 1 91 VAL HA . . 5.130 4.465 3.968 4.793 . 0 0 "[ . 1 . 2]" 1
421 1 90 GLU QG 1 91 VAL H . . 4.770 3.442 2.377 4.399 . 0 0 "[ . 1 . 2]" 1
422 1 91 VAL H 1 92 TYR H . . 5.500 4.432 4.294 4.519 . 0 0 "[ . 1 . 2]" 1
423 1 91 VAL H 1 97 LYS QB . . 5.300 4.991 4.261 5.345 0.045 9 0 "[ . 1 . 2]" 1
424 1 91 VAL H 1 100 ILE H . . 5.120 5.157 4.993 5.202 0.082 1 0 "[ . 1 . 2]" 1
425 1 91 VAL H 1 100 ILE MD . . 4.520 3.755 2.384 4.543 0.023 16 0 "[ . 1 . 2]" 1
426 1 91 VAL HA 1 98 LEU H . . 5.010 5.016 4.836 5.081 0.071 11 0 "[ . 1 . 2]" 1
427 1 91 VAL HA 1 128 VAL H . . 5.250 3.705 3.216 4.030 . 0 0 "[ . 1 . 2]" 1
428 1 91 VAL HB 1 92 TYR H . . 5.500 4.073 3.856 4.264 . 0 0 "[ . 1 . 2]" 1
429 1 91 VAL HB 1 98 LEU H . . 4.700 3.625 3.002 4.100 . 0 0 "[ . 1 . 2]" 1
430 1 91 VAL MG1 1 92 TYR H . . 5.380 2.517 2.253 2.798 . 0 0 "[ . 1 . 2]" 1
431 1 91 VAL MG2 1 92 TYR H . . 5.380 4.044 3.796 4.178 . 0 0 "[ . 1 . 2]" 1
432 1 91 VAL QG 1 92 TYR H . . 4.450 2.492 2.242 2.758 . 0 0 "[ . 1 . 2]" 1
433 1 91 VAL QG 1 98 LEU H . . 5.440 3.573 3.124 4.035 . 0 0 "[ . 1 . 2]" 1
434 1 91 VAL QG 1 126 LYS H . . 5.440 3.951 3.075 4.568 . 0 0 "[ . 1 . 2]" 1
435 1 91 VAL QG 1 127 ILE HA . . 5.440 2.939 2.166 3.612 . 0 0 "[ . 1 . 2]" 1
436 1 91 VAL QG 1 128 VAL H . . 5.440 3.755 2.952 4.442 . 0 0 "[ . 1 . 2]" 1
437 1 92 TYR H 1 92 TYR QD . . 4.640 3.762 2.415 4.522 . 0 0 "[ . 1 . 2]" 1
438 1 92 TYR H 1 93 GLU H . . 5.470 4.435 4.228 4.517 . 0 0 "[ . 1 . 2]" 1
439 1 92 TYR H 1 93 GLU QB . . 5.230 4.688 4.369 5.178 . 0 0 "[ . 1 . 2]" 1
440 1 92 TYR H 1 97 LYS HA . . 5.500 4.981 4.746 5.266 . 0 0 "[ . 1 . 2]" 1
441 1 92 TYR H 1 98 LEU H . . 5.500 4.593 4.312 4.889 . 0 0 "[ . 1 . 2]" 1
442 1 92 TYR H 1 127 ILE HA . . 5.330 3.900 3.514 4.346 . 0 0 "[ . 1 . 2]" 1
443 1 92 TYR H 1 128 VAL QG . . 5.500 4.948 3.737 5.651 0.151 17 0 "[ . 1 . 2]" 1
444 1 92 TYR HA 1 97 LYS H . . 5.250 4.941 4.609 5.251 0.001 7 0 "[ . 1 . 2]" 1
445 1 92 TYR HA 1 97 LYS HA . . 5.290 2.293 2.112 2.550 . 0 0 "[ . 1 . 2]" 1
446 1 92 TYR HA 1 98 LEU H . . 4.870 2.831 2.425 3.450 . 0 0 "[ . 1 . 2]" 1
447 1 92 TYR HA 1 126 LYS H . . 5.470 5.107 4.908 5.482 0.012 3 0 "[ . 1 . 2]" 1
448 1 92 TYR QB 1 93 GLU H . . 4.850 3.226 2.467 3.803 . 0 0 "[ . 1 . 2]" 1
449 1 92 TYR QD 1 93 GLU H . . 5.230 3.240 2.397 4.067 . 0 0 "[ . 1 . 2]" 1
450 1 92 TYR QD 1 96 LYS H . . 5.210 4.468 3.149 5.223 0.013 16 0 "[ . 1 . 2]" 1
451 1 92 TYR QD 1 97 LYS H . . 4.730 4.466 3.816 4.785 0.055 10 0 "[ . 1 . 2]" 1
452 1 92 TYR QD 1 97 LYS HA . . 5.500 3.073 2.237 4.109 . 0 0 "[ . 1 . 2]" 1
453 1 92 TYR QD 1 97 LYS QB . . 5.340 2.975 2.107 4.557 . 0 0 "[ . 1 . 2]" 1
454 1 92 TYR QD 1 98 LEU H . . 5.360 4.615 3.828 5.372 0.012 17 0 "[ . 1 . 2]" 1
455 1 92 TYR QD 1 126 LYS H . . 5.470 4.999 4.318 5.566 0.096 11 0 "[ . 1 . 2]" 1
456 1 93 GLU H 1 96 LYS H . . 4.550 3.537 3.073 4.009 . 0 0 "[ . 1 . 2]" 1
457 1 93 GLU H 1 96 LYS QG . . 4.590 4.119 3.190 4.626 0.036 7 0 "[ . 1 . 2]" 1
458 1 93 GLU H 1 97 LYS HA . . 5.350 3.416 2.947 3.647 . 0 0 "[ . 1 . 2]" 1
459 1 93 GLU H 1 98 LEU H . . 5.250 4.531 4.233 5.011 . 0 0 "[ . 1 . 2]" 1
460 1 93 GLU HA 1 125 VAL QG . . 4.810 3.785 2.764 4.556 . 0 0 "[ . 1 . 2]" 1
461 1 93 GLU QB 1 98 LEU H . . 5.340 5.334 5.128 5.389 0.049 10 0 "[ . 1 . 2]" 1
462 1 93 GLU QB 1 126 LYS H . . 4.210 3.828 2.881 4.255 0.045 1 0 "[ . 1 . 2]" 1
463 1 93 GLU QG 1 94 GLY H . . 5.500 3.772 3.089 4.589 . 0 0 "[ . 1 . 2]" 1
464 1 93 GLU QG 1 125 VAL QG . . 5.320 2.476 2.085 3.606 . 0 0 "[ . 1 . 2]" 1
465 1 94 GLY QA 1 96 LYS H . . 4.210 3.462 3.312 3.744 . 0 0 "[ . 1 . 2]" 1
466 1 95 ASP H 1 96 LYS H . . 4.610 2.376 2.115 2.678 . 0 0 "[ . 1 . 2]" 1
467 1 95 ASP H 1 96 LYS QB . . 5.280 3.971 3.306 4.726 . 0 0 "[ . 1 . 2]" 1
468 1 95 ASP QB 1 96 LYS H . . 4.490 3.373 3.093 3.816 . 0 0 "[ . 1 . 2]" 1
469 1 96 LYS H 1 96 LYS QB . . 3.340 2.520 2.180 3.189 . 0 0 "[ . 1 . 2]" 1
470 1 96 LYS H 1 96 LYS QD . . 4.770 3.941 1.959 4.788 0.018 7 0 "[ . 1 . 2]" 1
471 1 96 LYS H 1 96 LYS QE . . 4.640 4.210 3.252 4.658 0.018 10 0 "[ . 1 . 2]" 1
472 1 96 LYS H 1 96 LYS QG . . 4.340 3.666 2.574 4.184 . 0 0 "[ . 1 . 2]" 1
473 1 96 LYS H 1 97 LYS H . . 5.460 4.443 4.136 4.588 . 0 0 "[ . 1 . 2]" 1
474 1 96 LYS H 1 97 LYS HA . . 5.500 5.224 4.962 5.434 . 0 0 "[ . 1 . 2]" 1
475 1 96 LYS HA 1 97 LYS H . . 3.520 2.221 2.182 2.311 . 0 0 "[ . 1 . 2]" 1
476 1 96 LYS QB 1 97 LYS H . . 4.080 3.502 2.348 4.055 . 0 0 "[ . 1 . 2]" 1
477 1 96 LYS QG 1 97 LYS H . . 3.700 3.604 3.036 3.769 0.069 2 0 "[ . 1 . 2]" 1
478 1 96 LYS QG 1 120 ASN H . . 4.960 5.012 4.981 5.056 0.096 17 0 "[ . 1 . 2]" 1
479 1 97 LYS H 1 98 LEU H . . 5.500 4.609 4.459 4.716 . 0 0 "[ . 1 . 2]" 1
480 1 97 LYS H 1 98 LEU HA . . 5.500 5.281 4.870 5.521 0.021 9 0 "[ . 1 . 2]" 1
481 1 97 LYS QB 1 98 LEU H . . 4.020 3.006 2.757 3.518 . 0 0 "[ . 1 . 2]" 1
482 1 98 LEU HA 1 117 SER H . . 5.500 4.850 4.048 5.523 0.023 19 0 "[ . 1 . 2]" 1
483 1 98 LEU QB 1 117 SER H . . 4.990 4.470 3.880 5.007 0.017 7 0 "[ . 1 . 2]" 1
484 1 99 PRO HA 1 100 ILE H . . 3.540 2.157 2.100 2.215 . 0 0 "[ . 1 . 2]" 1
485 1 99 PRO QB 1 100 ILE H . . 4.010 3.393 3.285 3.555 . 0 0 "[ . 1 . 2]" 1
486 1 99 PRO QG 1 117 SER H . . 5.350 3.617 2.694 5.370 0.020 7 0 "[ . 1 . 2]" 1
487 1 100 ILE H 1 100 ILE MD . . 4.180 3.505 2.212 3.866 . 0 0 "[ . 1 . 2]" 1
488 1 100 ILE H 1 100 ILE QG . . 3.490 2.113 1.859 2.533 . 0 0 "[ . 1 . 2]" 1
489 1 100 ILE H 1 100 ILE MG . . 4.530 3.196 2.411 3.881 . 0 0 "[ . 1 . 2]" 1
490 1 100 ILE H 1 101 LYS H . . 5.500 4.596 4.468 4.690 . 0 0 "[ . 1 . 2]" 1
491 1 100 ILE MD 1 114 ILE MG . . 4.210 3.663 2.224 4.223 0.013 1 0 "[ . 1 . 2]" 1
492 1 100 ILE MG 1 114 ILE MG . . 4.180 3.356 2.475 4.186 0.006 2 0 "[ . 1 . 2]" 1
493 1 100 ILE MG 1 116 PHE H . . 5.280 4.991 3.877 5.293 0.013 8 0 "[ . 1 . 2]" 1
494 1 101 LYS H 1 101 LYS QD . . 5.000 4.635 3.312 5.019 0.019 10 0 "[ . 1 . 2]" 1
495 1 101 LYS H 1 114 ILE HA . . 5.500 4.505 4.157 4.876 . 0 0 "[ . 1 . 2]" 1
496 1 101 LYS H 1 114 ILE HB . . 4.820 3.815 3.076 4.867 0.047 10 0 "[ . 1 . 2]" 1
497 1 101 LYS H 1 114 ILE MG . . 5.390 4.358 2.333 4.973 . 0 0 "[ . 1 . 2]" 1
498 1 101 LYS H 1 115 ARG H . . 5.060 2.836 2.729 3.032 . 0 0 "[ . 1 . 2]" 1
499 1 101 LYS H 1 115 ARG HA . . 5.500 4.949 4.761 5.383 . 0 0 "[ . 1 . 2]" 1
500 1 101 LYS H 1 116 PHE QD . . 5.500 4.423 3.565 5.244 . 0 0 "[ . 1 . 2]" 1
501 1 101 LYS HA 1 101 LYS QD . . 4.960 3.838 2.254 4.533 . 0 0 "[ . 1 . 2]" 1
502 1 101 LYS QB 1 102 LEU H . . 4.330 3.220 2.362 3.808 . 0 0 "[ . 1 . 2]" 1
503 1 101 LYS QD 1 102 LEU H . . 4.360 4.188 2.268 4.403 0.043 13 0 "[ . 1 . 2]" 1
504 1 102 LEU H 1 102 LEU HB2 . . 4.180 2.436 2.205 2.700 . 0 0 "[ . 1 . 2]" 1
505 1 102 LEU H 1 102 LEU HB3 . . 4.180 3.268 2.329 3.731 . 0 0 "[ . 1 . 2]" 1
506 1 102 LEU H 1 102 LEU HG . . 4.440 3.755 2.313 4.491 0.051 13 0 "[ . 1 . 2]" 1
507 1 102 LEU H 1 102 LEU QB . . 3.580 2.317 2.183 2.547 . 0 0 "[ . 1 . 2]" 1
508 1 102 LEU H 1 102 LEU QD . . 4.270 3.098 2.261 3.809 . 0 0 "[ . 1 . 2]" 1
509 1 102 LEU H 1 103 VAL H . . 5.500 4.570 4.357 4.711 . 0 0 "[ . 1 . 2]" 1
510 1 102 LEU H 1 114 ILE HA . . 5.500 4.852 4.548 5.213 . 0 0 "[ . 1 . 2]" 1
511 1 102 LEU H 1 115 ARG H . . 5.500 5.058 4.749 5.457 . 0 0 "[ . 1 . 2]" 1
512 1 102 LEU HA 1 114 ILE HA . . 5.500 2.498 2.148 2.918 . 0 0 "[ . 1 . 2]" 1
513 1 102 LEU HA 1 114 ILE MG . . 5.500 2.560 2.148 3.240 . 0 0 "[ . 1 . 2]" 1
514 1 102 LEU HA 1 115 ARG H . . 5.080 3.919 3.577 4.322 . 0 0 "[ . 1 . 2]" 1
515 1 102 LEU HB2 1 103 VAL H . . 5.120 4.271 3.892 4.561 . 0 0 "[ . 1 . 2]" 1
516 1 102 LEU HB3 1 103 VAL H . . 5.120 3.504 2.699 4.346 . 0 0 "[ . 1 . 2]" 1
517 1 102 LEU HG 1 114 ILE HA . . 5.500 5.158 4.580 5.575 0.075 19 0 "[ . 1 . 2]" 1
518 1 102 LEU QB 1 103 VAL HA . . 5.340 4.375 3.952 4.800 . 0 0 "[ . 1 . 2]" 1
519 1 102 LEU QB 1 114 ILE HA . . 5.180 4.562 4.247 4.996 . 0 0 "[ . 1 . 2]" 1
520 1 102 LEU QB 1 114 ILE MG . . 4.870 3.826 2.940 4.650 . 0 0 "[ . 1 . 2]" 1
521 1 102 LEU QD 1 114 ILE HA . . 5.100 3.429 2.657 4.502 . 0 0 "[ . 1 . 2]" 1
522 1 102 LEU QD 1 114 ILE MG . . 4.160 2.308 1.839 3.269 . 0 0 "[ . 1 . 2]" 1
523 1 103 VAL H 1 103 VAL MG1 . . 4.240 2.776 2.211 3.953 . 0 0 "[ . 1 . 2]" 1
524 1 103 VAL H 1 103 VAL MG2 . . 4.240 3.375 2.214 4.024 . 0 0 "[ . 1 . 2]" 1
525 1 103 VAL H 1 104 SER H . . 4.270 2.237 1.985 2.696 . 0 0 "[ . 1 . 2]" 1
526 1 103 VAL H 1 113 TYR H . . 5.500 4.303 4.079 4.522 . 0 0 "[ . 1 . 2]" 1
527 1 103 VAL H 1 114 ILE HA . . 5.070 2.897 2.595 3.254 . 0 0 "[ . 1 . 2]" 1
528 1 103 VAL H 1 115 ARG H . . 5.500 4.437 3.843 4.789 . 0 0 "[ . 1 . 2]" 1
529 1 103 VAL MG1 1 104 SER H . . 4.060 3.029 2.403 4.103 0.043 13 0 "[ . 1 . 2]" 1
530 1 103 VAL MG2 1 104 SER H . . 4.060 3.731 2.340 4.078 0.018 18 0 "[ . 1 . 2]" 1
531 1 103 VAL QG 1 105 TYR H . . 5.440 5.459 5.208 5.711 0.271 5 0 "[ . 1 . 2]" 1
532 1 103 VAL QG 1 115 ARG QB . . 3.800 2.420 1.934 4.031 0.231 20 0 "[ . 1 . 2]" 1
533 1 104 SER H 1 105 TYR HA . . 5.500 4.810 4.568 4.988 . 0 0 "[ . 1 . 2]" 1
534 1 104 SER H 1 105 TYR QB . . 4.980 4.885 4.600 5.087 0.107 5 0 "[ . 1 . 2]" 1
535 1 104 SER H 1 113 TYR H . . 5.500 3.176 2.791 3.699 . 0 0 "[ . 1 . 2]" 1
536 1 104 SER H 1 113 TYR QB . . 4.580 2.569 2.295 3.699 . 0 0 "[ . 1 . 2]" 1
537 1 104 SER H 1 114 ILE H . . 5.500 5.356 5.020 5.533 0.033 5 0 "[ . 1 . 2]" 1
538 1 104 SER HA 1 105 TYR HA . . 5.500 4.545 4.384 4.699 . 0 0 "[ . 1 . 2]" 1
539 1 105 TYR H 1 106 ASP H . . 5.500 4.392 4.152 4.534 . 0 0 "[ . 1 . 2]" 1
540 1 105 TYR H 1 113 TYR H . . 5.310 4.855 4.452 5.318 0.008 1 0 "[ . 1 . 2]" 1
541 1 105 TYR H 1 113 TYR QB . . 5.340 5.039 3.899 5.356 0.016 5 0 "[ . 1 . 2]" 1
542 1 105 TYR H 1 113 TYR QD . . 4.710 4.361 3.650 4.736 0.026 1 0 "[ . 1 . 2]" 1
543 1 105 TYR HA 1 107 THR H . . 5.500 5.462 5.129 5.605 0.105 5 0 "[ . 1 . 2]" 1
544 1 105 TYR HA 1 111 TYR H . . 5.500 5.194 4.766 5.508 0.008 10 0 "[ . 1 . 2]" 1
545 1 105 TYR HA 1 112 ALA H . . 5.500 4.916 4.629 5.118 . 0 0 "[ . 1 . 2]" 1
546 1 105 TYR HA 1 112 ALA HA . . 5.500 2.429 2.122 2.887 . 0 0 "[ . 1 . 2]" 1
547 1 105 TYR HA 1 113 TYR H . . 5.320 3.251 2.905 3.500 . 0 0 "[ . 1 . 2]" 1
548 1 106 ASP H 1 107 THR H . . 5.500 3.911 3.303 4.176 . 0 0 "[ . 1 . 2]" 1
549 1 106 ASP H 1 107 THR HA . . 5.500 4.577 3.863 4.843 . 0 0 "[ . 1 . 2]" 1
550 1 106 ASP H 1 107 THR HB . . 5.500 5.435 4.990 5.524 0.024 10 0 "[ . 1 . 2]" 1
551 1 106 ASP H 1 109 LYS H . . 5.500 5.340 5.050 5.531 0.031 7 0 "[ . 1 . 2]" 1
552 1 106 ASP H 1 109 LYS QB . . 5.500 4.804 4.305 5.504 0.004 7 0 "[ . 1 . 2]" 1
553 1 106 ASP H 1 110 ASP H . . 5.500 4.932 4.608 5.331 . 0 0 "[ . 1 . 2]" 1
554 1 106 ASP H 1 111 TYR H . . 4.960 3.339 3.073 3.546 . 0 0 "[ . 1 . 2]" 1
555 1 106 ASP H 1 111 TYR HA . . 5.500 4.863 4.703 5.110 . 0 0 "[ . 1 . 2]" 1
556 1 106 ASP H 1 111 TYR QB . . 5.500 3.781 2.988 5.151 . 0 0 "[ . 1 . 2]" 1
557 1 106 ASP H 1 112 ALA HA . . 5.240 3.603 3.125 3.986 . 0 0 "[ . 1 . 2]" 1
558 1 106 ASP HA 1 108 VAL H . . 4.970 3.610 3.324 4.008 . 0 0 "[ . 1 . 2]" 1
559 1 106 ASP HA 1 109 LYS H . . 5.290 4.489 4.212 4.801 . 0 0 "[ . 1 . 2]" 1
560 1 106 ASP HA 1 110 ASP H . . 5.450 5.244 4.985 5.470 0.020 9 0 "[ . 1 . 2]" 1
561 1 106 ASP HA 1 111 TYR H . . 5.500 4.964 4.746 5.329 . 0 0 "[ . 1 . 2]" 1
562 1 106 ASP QB 1 107 THR H . . 4.870 3.965 3.830 4.054 . 0 0 "[ . 1 . 2]" 1
563 1 106 ASP QB 1 108 VAL H . . 5.220 4.114 3.765 4.859 . 0 0 "[ . 1 . 2]" 1
564 1 106 ASP QB 1 110 ASP H . . 5.060 3.981 3.612 4.631 . 0 0 "[ . 1 . 2]" 1
565 1 106 ASP QB 1 111 TYR H . . 4.200 3.037 2.400 3.739 . 0 0 "[ . 1 . 2]" 1
566 1 107 THR H 1 108 VAL H . . 4.600 2.783 2.540 2.985 . 0 0 "[ . 1 . 2]" 1
567 1 107 THR H 1 108 VAL HA . . 5.500 5.383 5.123 5.513 0.013 2 0 "[ . 1 . 2]" 1
568 1 107 THR H 1 108 VAL QG . . 4.750 4.035 3.688 4.354 . 0 0 "[ . 1 . 2]" 1
569 1 107 THR H 1 109 LYS H . . 5.500 4.541 4.184 4.876 . 0 0 "[ . 1 . 2]" 1
570 1 107 THR H 1 111 TYR H . . 5.500 5.232 4.763 5.515 0.015 18 0 "[ . 1 . 2]" 1
571 1 107 THR HB 1 108 VAL H . . 4.960 4.090 3.090 4.442 . 0 0 "[ . 1 . 2]" 1
572 1 108 VAL H 1 108 VAL HB . . 3.660 2.534 2.410 2.635 . 0 0 "[ . 1 . 2]" 1
573 1 108 VAL H 1 108 VAL QG . . 3.520 2.342 2.165 2.560 . 0 0 "[ . 1 . 2]" 1
574 1 108 VAL H 1 109 LYS H . . 4.040 2.484 2.265 2.705 . 0 0 "[ . 1 . 2]" 1
575 1 108 VAL H 1 109 LYS QB . . 4.980 4.481 4.210 4.796 . 0 0 "[ . 1 . 2]" 1
576 1 108 VAL H 1 111 TYR H . . 5.500 5.134 4.749 5.505 0.005 14 0 "[ . 1 . 2]" 1
577 1 108 VAL HB 1 109 LYS H . . 4.240 2.669 2.469 3.188 . 0 0 "[ . 1 . 2]" 1
578 1 109 LYS H 1 109 LYS QD . . 4.190 3.750 2.221 4.252 0.062 17 0 "[ . 1 . 2]" 1
579 1 109 LYS H 1 109 LYS QG . . 4.020 2.651 2.199 3.940 . 0 0 "[ . 1 . 2]" 1
580 1 109 LYS H 1 111 TYR H . . 5.390 3.939 3.594 4.484 . 0 0 "[ . 1 . 2]" 1
581 1 109 LYS QB 1 111 TYR H . . 5.050 3.040 2.531 3.980 . 0 0 "[ . 1 . 2]" 1
582 1 111 TYR H 1 111 TYR QD . . 5.170 3.659 2.139 4.428 . 0 0 "[ . 1 . 2]" 1
583 1 111 TYR H 1 112 ALA HA . . 5.500 5.213 4.892 5.474 . 0 0 "[ . 1 . 2]" 1
584 1 111 TYR H 1 112 ALA MB . . 5.480 5.035 4.672 5.433 . 0 0 "[ . 1 . 2]" 1
585 1 111 TYR QB 1 112 ALA H . . 5.500 3.181 2.472 3.761 . 0 0 "[ . 1 . 2]" 1
586 1 112 ALA H 1 113 TYR H . . 5.500 4.370 4.158 4.588 . 0 0 "[ . 1 . 2]" 1
587 1 112 ALA HA 1 113 TYR QB . . 5.340 4.326 3.707 4.528 . 0 0 "[ . 1 . 2]" 1
588 1 112 ALA MB 1 113 TYR H . . 4.730 3.109 2.563 3.409 . 0 0 "[ . 1 . 2]" 1
589 1 113 TYR H 1 113 TYR QD . . 5.100 2.840 2.379 4.219 . 0 0 "[ . 1 . 2]" 1
590 1 113 TYR H 1 114 ILE H . . 5.500 4.446 4.320 4.578 . 0 0 "[ . 1 . 2]" 1
591 1 114 ILE H 1 114 ILE MD . . 4.360 3.813 2.104 4.151 . 0 0 "[ . 1 . 2]" 1
592 1 114 ILE H 1 114 ILE QG . . 4.680 2.249 2.097 2.685 . 0 0 "[ . 1 . 2]" 1
593 1 114 ILE H 1 115 ARG H . . 5.500 4.516 4.437 4.601 . 0 0 "[ . 1 . 2]" 1
594 1 114 ILE HB 1 115 ARG H . . 4.350 2.595 2.259 3.531 . 0 0 "[ . 1 . 2]" 1
595 1 114 ILE MG 1 115 ARG H . . 4.300 3.550 2.125 3.805 . 0 0 "[ . 1 . 2]" 1
596 1 115 ARG H 1 116 PHE H . . 5.440 4.418 4.312 4.505 . 0 0 "[ . 1 . 2]" 1
597 1 115 ARG H 1 116 PHE QB . . 5.340 4.663 4.087 5.380 0.040 3 0 "[ . 1 . 2]" 1
598 1 115 ARG H 1 116 PHE QD . . 5.500 4.359 3.390 5.539 0.039 7 0 "[ . 1 . 2]" 1
599 1 115 ARG QB 1 116 PHE H . . 3.980 3.526 2.624 3.774 . 0 0 "[ . 1 . 2]" 1
600 1 116 PHE H 1 116 PHE QD . . 4.820 3.519 3.021 4.562 . 0 0 "[ . 1 . 2]" 1
601 1 116 PHE H 1 117 SER H . . 5.120 4.401 4.249 4.494 . 0 0 "[ . 1 . 2]" 1
602 1 116 PHE HB2 1 117 SER H . . 4.610 2.947 2.424 4.484 . 0 0 "[ . 1 . 2]" 1
603 1 116 PHE HB3 1 117 SER H . . 4.610 3.705 3.001 4.278 . 0 0 "[ . 1 . 2]" 1
604 1 116 PHE QD 1 117 SER H . . 4.930 3.756 2.477 4.211 . 0 0 "[ . 1 . 2]" 1
605 1 116 PHE QD 1 118 VAL H . . 5.500 4.811 4.191 5.504 0.004 3 0 "[ . 1 . 2]" 1
606 1 117 SER H 1 118 VAL H . . 5.500 4.582 4.391 4.673 . 0 0 "[ . 1 . 2]" 1
607 1 117 SER HA 1 118 VAL QG . . 5.160 3.246 2.984 3.500 . 0 0 "[ . 1 . 2]" 1
608 1 117 SER QB 1 118 VAL H . . 4.390 3.136 2.725 3.785 . 0 0 "[ . 1 . 2]" 1
609 1 118 VAL H 1 118 VAL MG1 . . 4.540 3.181 2.305 4.081 . 0 0 "[ . 1 . 2]" 1
610 1 118 VAL H 1 118 VAL MG2 . . 4.540 2.256 2.032 2.854 . 0 0 "[ . 1 . 2]" 1
611 1 118 VAL H 1 118 VAL QG . . 3.840 2.191 1.957 2.801 . 0 0 "[ . 1 . 2]" 1
612 1 118 VAL H 1 119 SER H . . 5.500 4.578 4.313 4.684 . 0 0 "[ . 1 . 2]" 1
613 1 118 VAL HB 1 119 SER H . . 4.310 2.858 2.140 3.893 . 0 0 "[ . 1 . 2]" 1
614 1 118 VAL HB 1 122 THR H . . 5.380 5.011 4.278 5.425 0.045 8 0 "[ . 1 . 2]" 1
615 1 118 VAL MG1 1 119 SER H . . 4.810 3.024 1.724 3.859 . 0 0 "[ . 1 . 2]" 1
616 1 118 VAL MG2 1 119 SER H . . 4.810 3.694 3.080 4.244 . 0 0 "[ . 1 . 2]" 1
617 1 118 VAL QG 1 119 SER H . . 4.080 2.729 1.722 3.233 . 0 0 "[ . 1 . 2]" 1
618 1 118 VAL QG 1 151 ILE MG . . 4.360 2.069 1.901 2.655 . 0 0 "[ . 1 . 2]" 1
619 1 119 SER H 1 122 THR H . . 5.500 5.333 4.714 5.593 0.093 11 0 "[ . 1 . 2]" 1
620 1 119 SER HB2 1 120 ASN H . . 5.500 3.661 2.415 4.724 . 0 0 "[ . 1 . 2]" 1
621 1 119 SER HB3 1 120 ASN H . . 5.500 3.839 2.466 4.544 . 0 0 "[ . 1 . 2]" 1
622 1 120 ASN H 1 122 THR H . . 5.500 4.955 2.799 5.449 . 0 0 "[ . 1 . 2]" 1
623 1 120 ASN HA 1 121 GLY QA . . 5.210 3.993 3.872 4.269 . 0 0 "[ . 1 . 2]" 1
624 1 120 ASN QB 1 121 GLY H . . 4.410 3.625 3.046 4.061 . 0 0 "[ . 1 . 2]" 1
625 1 121 GLY H 1 122 THR H . . 4.530 2.503 2.266 2.763 . 0 0 "[ . 1 . 2]" 1
626 1 121 GLY H 1 150 PRO QB . . 5.340 5.231 4.759 5.392 0.052 16 0 "[ . 1 . 2]" 1
627 1 121 GLY H 1 152 TYR HA . . 5.280 3.375 2.191 5.239 . 0 0 "[ . 1 . 2]" 1
628 1 122 THR H 1 122 THR HB . . 3.880 2.457 2.204 3.644 . 0 0 "[ . 1 . 2]" 1
629 1 122 THR H 1 123 LYS H . . 5.500 4.584 4.337 4.710 . 0 0 "[ . 1 . 2]" 1
630 1 122 THR H 1 151 ILE H . . 5.500 3.822 3.426 4.930 . 0 0 "[ . 1 . 2]" 1
631 1 122 THR H 1 151 ILE HB . . 4.640 3.471 2.831 4.670 0.030 2 0 "[ . 1 . 2]" 1
632 1 122 THR HA 1 124 ALA H . . 4.300 3.802 3.276 4.168 . 0 0 "[ . 1 . 2]" 1
633 1 123 LYS H 1 123 LYS QD . . 4.340 3.967 2.043 4.380 0.040 20 0 "[ . 1 . 2]" 1
634 1 123 LYS H 1 124 ALA H . . 3.970 2.040 1.906 2.297 . 0 0 "[ . 1 . 2]" 1
635 1 123 LYS H 1 124 ALA HA . . 5.500 4.746 4.573 5.070 . 0 0 "[ . 1 . 2]" 1
636 1 123 LYS H 1 124 ALA MB . . 4.200 4.184 3.975 4.230 0.030 17 0 "[ . 1 . 2]" 1
637 1 123 LYS H 1 125 VAL QG . . 5.440 4.428 3.910 4.973 . 0 0 "[ . 1 . 2]" 1
638 1 123 LYS HA 1 150 PRO HA . . 4.700 3.422 2.400 4.456 . 0 0 "[ . 1 . 2]" 1
639 1 123 LYS HA 1 151 ILE H . . 5.150 4.188 3.415 5.123 . 0 0 "[ . 1 . 2]" 1
640 1 123 LYS QB 1 124 ALA H . . 4.380 3.142 2.342 3.874 . 0 0 "[ . 1 . 2]" 1
641 1 123 LYS QB 1 124 ALA HA . . 5.260 4.789 4.233 5.110 . 0 0 "[ . 1 . 2]" 1
642 1 123 LYS QD 1 124 ALA H . . 4.340 3.959 2.872 4.382 0.042 12 0 "[ . 1 . 2]" 1
643 1 124 ALA H 1 124 ALA MB . . 3.520 2.652 2.340 2.887 . 0 0 "[ . 1 . 2]" 1
644 1 124 ALA H 1 125 VAL H . . 5.230 4.376 4.271 4.613 . 0 0 "[ . 1 . 2]" 1
645 1 124 ALA H 1 125 VAL QG . . 4.850 3.670 3.363 4.227 . 0 0 "[ . 1 . 2]" 1
646 1 124 ALA H 1 147 PHE H . . 5.500 5.120 4.877 5.513 0.013 13 0 "[ . 1 . 2]" 1
647 1 124 ALA HA 1 125 VAL QG . . 5.310 3.220 2.901 3.552 . 0 0 "[ . 1 . 2]" 1
648 1 124 ALA HA 1 145 MET H . . 5.500 4.884 4.578 5.131 . 0 0 "[ . 1 . 2]" 1
649 1 124 ALA HA 1 146 GLU HA . . 4.840 2.504 2.160 3.192 . 0 0 "[ . 1 . 2]" 1
650 1 124 ALA HA 1 147 PHE H . . 4.900 3.478 3.313 3.785 . 0 0 "[ . 1 . 2]" 1
651 1 124 ALA MB 1 125 VAL H . . 4.040 2.834 2.610 3.063 . 0 0 "[ . 1 . 2]" 1
652 1 125 VAL H 1 125 VAL MG1 . . 4.640 3.579 3.065 4.073 . 0 0 "[ . 1 . 2]" 1
653 1 125 VAL H 1 125 VAL MG2 . . 4.640 2.632 2.304 2.953 . 0 0 "[ . 1 . 2]" 1
654 1 125 VAL H 1 125 VAL QG . . 3.760 2.566 2.242 2.887 . 0 0 "[ . 1 . 2]" 1
655 1 125 VAL H 1 126 LYS H . . 5.410 4.508 4.435 4.576 . 0 0 "[ . 1 . 2]" 1
656 1 125 VAL H 1 145 MET H . . 5.200 3.047 2.846 3.183 . 0 0 "[ . 1 . 2]" 1
657 1 125 VAL H 1 145 MET HA . . 5.500 4.751 4.615 4.860 . 0 0 "[ . 1 . 2]" 1
658 1 125 VAL H 1 145 MET QB . . 4.660 3.486 2.712 4.619 . 0 0 "[ . 1 . 2]" 1
659 1 125 VAL H 1 145 MET QG . . 5.040 4.291 2.352 5.130 0.090 7 0 "[ . 1 . 2]" 1
660 1 125 VAL H 1 146 GLU HA . . 4.510 3.834 3.629 4.575 0.065 14 0 "[ . 1 . 2]" 1
661 1 125 VAL H 1 147 PHE H . . 5.410 5.316 4.803 5.463 0.053 19 0 "[ . 1 . 2]" 1
662 1 125 VAL HB 1 127 ILE H . . 5.500 5.405 5.179 5.542 0.042 7 0 "[ . 1 . 2]" 1
663 1 125 VAL MG1 1 126 LYS H . . 4.490 3.051 2.272 3.745 . 0 0 "[ . 1 . 2]" 1
664 1 125 VAL MG2 1 126 LYS H . . 4.490 3.848 3.534 4.158 . 0 0 "[ . 1 . 2]" 1
665 1 125 VAL QG 1 126 LYS H . . 3.950 2.834 2.260 3.348 . 0 0 "[ . 1 . 2]" 1
666 1 125 VAL QG 1 145 MET QB . . 4.350 2.911 2.009 4.431 0.081 19 0 "[ . 1 . 2]" 1
667 1 125 VAL QG 1 147 PHE H . . 5.440 5.123 4.092 5.557 0.117 19 0 "[ . 1 . 2]" 1
668 1 126 LYS H 1 126 LYS QE . . 4.980 4.074 2.158 4.653 . 0 0 "[ . 1 . 2]" 1
669 1 126 LYS H 1 127 ILE H . . 5.120 4.380 4.264 4.460 . 0 0 "[ . 1 . 2]" 1
670 1 126 LYS H 1 145 MET H . . 5.500 5.028 4.942 5.175 . 0 0 "[ . 1 . 2]" 1
671 1 126 LYS HA 1 127 ILE HB . . 5.500 4.497 4.188 4.762 . 0 0 "[ . 1 . 2]" 1
672 1 126 LYS HA 1 145 MET H . . 4.250 3.667 3.313 3.957 . 0 0 "[ . 1 . 2]" 1
673 1 126 LYS QB 1 127 ILE H . . 5.060 3.689 2.943 3.978 . 0 0 "[ . 1 . 2]" 1
674 1 126 LYS QG 1 142 TYR HA . . 5.340 3.981 2.323 5.348 0.008 3 0 "[ . 1 . 2]" 1
675 1 126 LYS QG 1 143 THR H . . 5.260 3.737 2.630 5.276 0.016 17 0 "[ . 1 . 2]" 1
676 1 126 LYS QG 1 144 LEU HA . . 5.340 3.969 3.152 4.495 . 0 0 "[ . 1 . 2]" 1
677 1 127 ILE H 1 127 ILE MD . . 5.300 3.541 2.565 4.276 . 0 0 "[ . 1 . 2]" 1
678 1 127 ILE H 1 127 ILE MG . . 4.450 3.820 3.678 3.902 . 0 0 "[ . 1 . 2]" 1
679 1 127 ILE H 1 128 VAL H . . 5.500 4.473 4.346 4.545 . 0 0 "[ . 1 . 2]" 1
680 1 127 ILE H 1 143 THR H . . 5.500 3.303 2.929 4.133 . 0 0 "[ . 1 . 2]" 1
681 1 127 ILE H 1 143 THR HB . . 5.500 3.637 3.244 4.027 . 0 0 "[ . 1 . 2]" 1
682 1 127 ILE H 1 144 LEU HA . . 5.230 3.393 3.084 3.706 . 0 0 "[ . 1 . 2]" 1
683 1 127 ILE H 1 145 MET H . . 5.500 3.938 3.496 4.540 . 0 0 "[ . 1 . 2]" 1
684 1 127 ILE H 1 145 MET QB . . 5.500 4.759 4.013 5.499 . 0 0 "[ . 1 . 2]" 1
685 1 127 ILE HB 1 143 THR H . . 5.500 4.098 3.616 4.847 . 0 0 "[ . 1 . 2]" 1
686 1 127 ILE HB 1 143 THR HB . . 5.220 2.387 2.126 2.929 . 0 0 "[ . 1 . 2]" 1
687 1 127 ILE HB 1 145 MET H . . 4.750 4.697 4.436 4.791 0.041 14 0 "[ . 1 . 2]" 1
688 1 127 ILE HB 1 145 MET QB . . 5.500 4.333 3.769 4.787 . 0 0 "[ . 1 . 2]" 1
689 1 127 ILE MD 1 128 VAL H . . 4.950 4.035 3.623 4.888 . 0 0 "[ . 1 . 2]" 1
690 1 127 ILE MD 1 143 THR HB . . 5.500 5.010 4.021 5.464 . 0 0 "[ . 1 . 2]" 1
691 1 127 ILE QG 1 143 THR HB . . 5.030 3.914 3.452 4.937 . 0 0 "[ . 1 . 2]" 1
692 1 128 VAL H 1 129 SER H . . 5.500 4.338 3.900 4.480 . 0 0 "[ . 1 . 2]" 1
693 1 128 VAL H 1 129 SER HA . . 5.500 4.939 4.688 5.275 . 0 0 "[ . 1 . 2]" 1
694 1 128 VAL H 1 143 THR HB . . 5.500 5.554 5.458 5.609 0.109 16 0 "[ . 1 . 2]" 1
695 1 128 VAL HB 1 129 SER H . . 5.500 4.077 2.721 4.557 . 0 0 "[ . 1 . 2]" 1
696 1 128 VAL QG 1 129 SER H . . 4.890 2.725 2.069 3.490 . 0 0 "[ . 1 . 2]" 1
697 1 129 SER H 1 130 SER H . . 5.500 4.430 4.332 4.539 . 0 0 "[ . 1 . 2]" 1
698 1 129 SER H 1 140 TYR QD . . 5.500 3.423 2.741 4.633 . 0 0 "[ . 1 . 2]" 1
699 1 129 SER H 1 140 TYR QE . . 5.500 5.335 4.072 5.539 0.039 11 0 "[ . 1 . 2]" 1
700 1 130 SER H 1 131 THR H . . 5.500 4.369 4.241 4.548 . 0 0 "[ . 1 . 2]" 1
701 1 130 SER QB 1 131 THR H . . 4.890 3.116 2.419 3.722 . 0 0 "[ . 1 . 2]" 1
702 1 131 THR H 1 139 LYS QD . . 5.500 4.729 2.867 5.526 0.026 19 0 "[ . 1 . 2]" 1
703 1 131 THR H 1 140 TYR QD . . 5.500 5.083 4.490 5.519 0.019 7 0 "[ . 1 . 2]" 1
704 1 131 THR H 1 140 TYR QE . . 5.500 4.900 3.879 5.547 0.047 1 0 "[ . 1 . 2]" 1
705 1 131 THR HB 1 132 HIS H . . 4.640 2.943 2.389 4.097 . 0 0 "[ . 1 . 2]" 1
706 1 131 THR HB 1 133 PHE H . . 5.500 4.883 3.901 5.515 0.015 18 0 "[ . 1 . 2]" 1
707 1 131 THR MG 1 132 HIS H . . 4.800 3.379 2.147 3.982 . 0 0 "[ . 1 . 2]" 1
708 1 132 HIS H 1 133 PHE H . . 5.020 4.016 3.679 4.384 . 0 0 "[ . 1 . 2]" 1
709 1 132 HIS HA 1 138 GLU H . . 5.500 3.746 3.232 5.487 . 0 0 "[ . 1 . 2]" 1
710 1 133 PHE H 1 133 PHE QD . . 5.050 3.739 2.727 4.560 . 0 0 "[ . 1 . 2]" 1
711 1 133 PHE H 1 136 LYS H . . 4.930 4.208 3.524 4.949 0.019 3 0 "[ . 1 . 2]" 1
712 1 133 PHE H 1 138 GLU QB . . 4.960 4.863 4.158 5.003 0.043 1 0 "[ . 1 . 2]" 1
713 1 135 ASN HB2 1 136 LYS H . . 5.500 3.910 2.780 4.583 . 0 0 "[ . 1 . 2]" 1
714 1 135 ASN HB3 1 136 LYS H . . 5.500 3.753 2.844 4.505 . 0 0 "[ . 1 . 2]" 1
715 1 136 LYS H 1 136 LYS QG . . 4.590 3.900 2.057 4.206 . 0 0 "[ . 1 . 2]" 1
716 1 136 LYS H 1 137 GLU H . . 4.700 4.566 3.974 4.704 0.004 15 0 "[ . 1 . 2]" 1
717 1 136 LYS QB 1 137 GLU H . . 4.330 3.553 2.578 3.867 . 0 0 "[ . 1 . 2]" 1
718 1 136 LYS QE 1 137 GLU H . . 5.340 4.514 2.625 5.211 . 0 0 "[ . 1 . 2]" 1
719 1 136 LYS QG 1 137 GLU H . . 4.730 2.543 2.026 3.783 . 0 0 "[ . 1 . 2]" 1
720 1 136 LYS QG 1 138 GLU H . . 5.500 4.550 3.691 5.503 0.003 10 0 "[ . 1 . 2]" 1
721 1 137 GLU H 1 138 GLU H . . 5.500 4.458 3.824 4.669 . 0 0 "[ . 1 . 2]" 1
722 1 137 GLU QB 1 138 GLU H . . 4.870 3.159 2.492 3.999 . 0 0 "[ . 1 . 2]" 1
723 1 137 GLU QG 1 138 GLU H . . 5.500 3.686 2.501 4.422 . 0 0 "[ . 1 . 2]" 1
724 1 138 GLU H 1 139 LYS QB . . 4.800 4.579 3.995 4.845 0.045 13 0 "[ . 1 . 2]" 1
725 1 139 LYS QB 1 140 TYR H . . 4.960 3.166 2.164 3.856 . 0 0 "[ . 1 . 2]" 1
726 1 139 LYS QD 1 140 TYR H . . 5.420 4.417 2.366 5.437 0.017 3 0 "[ . 1 . 2]" 1
727 1 140 TYR H 1 140 TYR QD . . 5.120 2.665 1.964 3.553 . 0 0 "[ . 1 . 2]" 1
728 1 140 TYR H 1 140 TYR QE . . 5.500 4.511 3.649 4.976 . 0 0 "[ . 1 . 2]" 1
729 1 140 TYR H 1 141 ASP HA . . 5.500 5.203 4.488 5.557 0.057 10 0 "[ . 1 . 2]" 1
730 1 142 TYR QB 1 143 THR H . . 5.500 3.475 2.677 4.127 . 0 0 "[ . 1 . 2]" 1
731 1 142 TYR QB 1 144 LEU H . . 5.500 5.448 4.825 5.563 0.063 10 0 "[ . 1 . 2]" 1
732 1 143 THR H 1 144 LEU H . . 5.500 4.256 3.912 4.483 . 0 0 "[ . 1 . 2]" 1
733 1 143 THR HB 1 144 LEU H . . 5.500 3.864 3.081 4.338 . 0 0 "[ . 1 . 2]" 1
734 1 144 LEU H 1 144 LEU QD . . 4.760 3.477 1.870 3.901 . 0 0 "[ . 1 . 2]" 1
735 1 144 LEU H 1 145 MET H . . 5.500 4.438 4.245 4.534 . 0 0 "[ . 1 . 2]" 1
736 1 144 LEU QB 1 145 MET H . . 4.280 3.730 3.167 3.969 . 0 0 "[ . 1 . 2]" 1
737 1 144 LEU QD 1 145 MET H . . 4.050 3.051 2.270 4.443 0.393 14 0 "[ . 1 . 2]" 1
738 1 145 MET H 1 146 GLU H . . 5.500 4.476 4.378 4.602 . 0 0 "[ . 1 . 2]" 1
739 1 146 GLU H 1 146 GLU QB . . 3.640 2.560 2.306 2.832 . 0 0 "[ . 1 . 2]" 1
740 1 146 GLU H 1 146 GLU QG . . 4.440 3.620 2.807 4.178 . 0 0 "[ . 1 . 2]" 1
741 1 146 GLU HA 1 147 PHE QB . . 5.340 4.126 3.890 4.432 . 0 0 "[ . 1 . 2]" 1
742 1 146 GLU HB2 1 147 PHE H . . 5.190 4.113 3.893 4.355 . 0 0 "[ . 1 . 2]" 1
743 1 146 GLU HB3 1 147 PHE H . . 5.190 3.640 2.804 4.277 . 0 0 "[ . 1 . 2]" 1
744 1 146 GLU QB 1 147 PHE H . . 4.470 3.373 2.744 3.844 . 0 0 "[ . 1 . 2]" 1
745 1 146 GLU QG 1 147 PHE H . . 4.550 3.178 2.321 4.282 . 0 0 "[ . 1 . 2]" 1
746 1 147 PHE H 1 147 PHE QD . . 4.530 2.361 1.841 2.766 . 0 0 "[ . 1 . 2]" 1
747 1 147 PHE QD 1 148 ALA H . . 4.790 4.256 3.463 4.488 . 0 0 "[ . 1 . 2]" 1
748 1 148 ALA H 1 148 ALA MB . . 3.590 2.276 2.174 2.379 . 0 0 "[ . 1 . 2]" 1
749 1 148 ALA H 1 149 GLN H . . 4.550 2.444 2.117 2.872 . 0 0 "[ . 1 . 2]" 1
750 1 148 ALA H 1 151 ILE MD . . 5.500 4.501 3.783 5.388 . 0 0 "[ . 1 . 2]" 1
751 1 148 ALA MB 1 149 GLN H . . 3.990 2.615 2.193 3.213 . 0 0 "[ . 1 . 2]" 1
752 1 149 GLN H 1 151 ILE MD . . 5.240 4.029 3.621 4.686 . 0 0 "[ . 1 . 2]" 1
753 1 149 GLN QB 1 151 ILE HA . . 5.340 5.297 5.023 5.383 0.043 3 0 "[ . 1 . 2]" 1
754 1 151 ILE H 1 151 ILE MD . . 4.890 3.221 2.995 3.447 . 0 0 "[ . 1 . 2]" 1
755 1 151 ILE H 1 151 ILE MG . . 4.540 3.877 3.815 3.961 . 0 0 "[ . 1 . 2]" 1
756 1 151 ILE H 1 152 TYR H . . 5.500 4.223 3.839 4.459 . 0 0 "[ . 1 . 2]" 1
757 1 151 ILE HB 1 152 TYR H . . 5.430 4.348 4.020 4.520 . 0 0 "[ . 1 . 2]" 1
758 1 151 ILE MD 1 152 TYR H . . 4.950 4.180 4.001 4.650 . 0 0 "[ . 1 . 2]" 1
759 1 151 ILE MG 1 152 TYR H . . 4.440 3.263 2.782 3.842 . 0 0 "[ . 1 . 2]" 1
760 1 152 TYR H 1 153 ASN H . . 5.500 4.460 4.343 4.637 . 0 0 "[ . 1 . 2]" 1
761 1 152 TYR HB2 1 153 ASN H . . 4.820 3.283 2.227 4.241 . 0 0 "[ . 1 . 2]" 1
762 1 152 TYR HB3 1 153 ASN H . . 4.820 3.712 2.432 4.210 . 0 0 "[ . 1 . 2]" 1
763 1 152 TYR QB 1 153 ASN H . . 4.190 2.885 2.210 3.713 . 0 0 "[ . 1 . 2]" 1
764 1 153 ASN H 1 154 SER H . . 4.640 2.198 1.939 2.589 . 0 0 "[ . 1 . 2]" 1
765 1 153 ASN H 1 154 SER HB2 . . 5.500 4.918 4.339 5.334 . 0 0 "[ . 1 . 2]" 1
766 1 153 ASN H 1 154 SER HB3 . . 5.500 5.524 5.172 5.581 0.081 14 0 "[ . 1 . 2]" 1
767 1 153 ASN H 1 154 SER QB . . 4.820 4.594 4.128 4.854 0.034 14 0 "[ . 1 . 2]" 1
768 1 153 ASN HA 1 154 SER QB . . 5.340 4.123 3.693 4.384 . 0 0 "[ . 1 . 2]" 1
769 1 153 ASN QB 1 154 SER H . . 4.750 3.480 2.524 3.957 . 0 0 "[ . 1 . 2]" 1
770 1 153 ASN QB 1 154 SER QB . . 5.340 4.671 4.440 4.793 . 0 0 "[ . 1 . 2]" 1
771 1 154 SER H 1 155 ALA H . . 5.250 2.678 2.305 3.223 . 0 0 "[ . 1 . 2]" 1
772 1 154 SER H 1 155 ALA MB . . 5.500 4.114 3.815 4.757 . 0 0 "[ . 1 . 2]" 1
773 1 154 SER QB 1 155 ALA H . . 4.020 4.009 3.940 4.061 0.041 4 0 "[ . 1 . 2]" 1
774 1 156 ASP H 1 156 ASP QB . . 3.800 2.321 2.044 2.598 . 0 0 "[ . 1 . 2]" 1
775 1 156 ASP H 1 157 LYS H . . 4.500 2.898 2.426 3.259 . 0 0 "[ . 1 . 2]" 1
776 1 157 LYS H 1 157 LYS QB . . 3.830 2.449 2.133 2.995 . 0 0 "[ . 1 . 2]" 1
777 1 157 LYS H 1 157 LYS QD . . 3.950 2.953 1.879 3.982 0.032 16 0 "[ . 1 . 2]" 1
778 1 157 LYS H 1 157 LYS QE . . 4.520 3.735 1.890 4.524 0.004 13 0 "[ . 1 . 2]" 1
779 1 157 LYS H 1 158 PHE H . . 4.240 2.530 2.056 3.055 . 0 0 "[ . 1 . 2]" 1
780 1 157 LYS H 1 158 PHE QB . . 5.050 4.723 4.063 5.067 0.017 18 0 "[ . 1 . 2]" 1
781 1 157 LYS HA 1 157 LYS QD . . 5.000 3.290 2.177 4.582 . 0 0 "[ . 1 . 2]" 1
782 1 157 LYS QB 1 158 PHE H . . 4.520 3.127 2.476 3.962 . 0 0 "[ . 1 . 2]" 1
783 1 158 PHE H 1 158 PHE QD . . 5.260 3.885 2.652 4.622 . 0 0 "[ . 1 . 2]" 1
784 1 158 PHE H 1 159 LYS QB . . 5.340 4.559 3.619 5.378 0.038 9 0 "[ . 1 . 2]" 1
785 1 158 PHE HA 1 161 GLU QB . . 4.700 4.602 4.023 4.745 0.045 11 0 "[ . 1 . 2]" 1
786 1 159 LYS H 1 159 LYS QB . . 3.260 2.641 2.157 3.217 . 0 0 "[ . 1 . 2]" 1
787 1 159 LYS HA 1 159 LYS QD . . 4.590 3.606 2.145 4.512 . 0 0 "[ . 1 . 2]" 1
788 1 159 LYS HA 1 159 LYS QE . . 5.340 4.446 2.632 5.360 0.020 20 0 "[ . 1 . 2]" 1
789 1 161 GLU H 1 161 GLU QB . . 3.520 2.635 2.416 3.112 . 0 0 "[ . 1 . 2]" 1
790 1 162 GLU H 1 162 GLU QB . . 3.660 2.637 2.134 3.239 . 0 0 "[ . 1 . 2]" 1
791 1 162 GLU HA 1 163 ASP H . . 3.510 2.305 2.098 2.677 . 0 0 "[ . 1 . 2]" 1
792 1 163 ASP H 1 163 ASP QB . . 3.860 2.681 2.141 3.344 . 0 0 "[ . 1 . 2]" 1
793 1 89 PHE HA 1 129 SER HA . . 3.000 2.448 2.105 2.924 . 0 0 "[ . 1 . 2]" 1
794 1 43 ASP HA 1 63 LYS QB . . 5.000 4.984 4.397 5.067 0.067 10 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 92
_Distance_constraint_stats_list.Viol_count 64
_Distance_constraint_stats_list.Viol_total 40.333
_Distance_constraint_stats_list.Viol_max 0.106
_Distance_constraint_stats_list.Viol_rms 0.0078
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0315
_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 19 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LEU 0.026 0.013 1 0 "[ . 1 . 2]"
1 21 ARG 1.366 0.106 5 0 "[ . 1 . 2]"
1 22 GLU 0.038 0.016 4 0 "[ . 1 . 2]"
1 23 ALA 0.029 0.009 7 0 "[ . 1 . 2]"
1 24 ILE 1.366 0.106 5 0 "[ . 1 . 2]"
1 25 LYS 0.038 0.016 4 0 "[ . 1 . 2]"
1 26 ASN 0.029 0.009 7 0 "[ . 1 . 2]"
1 29 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ALA 0.062 0.021 1 0 "[ . 1 . 2]"
1 38 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 SER 0.062 0.021 1 0 "[ . 1 . 2]"
1 40 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ILE 0.162 0.056 12 0 "[ . 1 . 2]"
1 43 ASP 0.004 0.004 3 0 "[ . 1 . 2]"
1 45 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 MET 0.200 0.082 9 0 "[ . 1 . 2]"
1 47 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLN 0.200 0.082 9 0 "[ . 1 . 2]"
1 65 ALA 0.162 0.056 12 0 "[ . 1 . 2]"
1 66 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ILE 0.036 0.020 18 0 "[ . 1 . 2]"
1 69 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 GLU 0.036 0.020 18 0 "[ . 1 . 2]"
1 76 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ARG 0.026 0.013 1 0 "[ . 1 . 2]"
1 88 LYS 0.036 0.036 12 0 "[ . 1 . 2]"
1 90 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 LYS 0.046 0.020 7 0 "[ . 1 . 2]"
1 104 SER 0.011 0.006 9 0 "[ . 1 . 2]"
1 105 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 TYR 0.011 0.006 9 0 "[ . 1 . 2]"
1 114 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 ARG 0.046 0.020 7 0 "[ . 1 . 2]"
1 116 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 LYS 0.000 0.000 13 0 "[ . 1 . 2]"
1 125 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 SER 0.036 0.036 12 0 "[ . 1 . 2]"
1 143 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 144 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 145 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 146 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 147 PHE 0.000 0.000 13 0 "[ . 1 . 2]"
1 148 ALA 0.004 0.004 3 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 22 GLU O 1 25 LYS H . . 2.800 2.492 2.132 2.809 0.009 4 0 "[ . 1 . 2]" 2
2 1 22 GLU O 1 25 LYS N . . 3.800 3.448 3.028 3.816 0.016 4 0 "[ . 1 . 2]" 2
3 1 29 ILE O 1 105 TYR H . . 2.800 2.039 1.877 2.781 . 0 0 "[ . 1 . 2]" 2
4 1 29 ILE O 1 105 TYR N . . 3.800 2.954 2.839 3.499 . 0 0 "[ . 1 . 2]" 2
5 1 40 ARG H 1 67 VAL O . . 2.800 2.093 1.955 2.318 . 0 0 "[ . 1 . 2]" 2
6 1 40 ARG N 1 67 VAL O . . 3.800 3.043 2.865 3.245 . 0 0 "[ . 1 . 2]" 2
7 1 40 ARG O 1 67 VAL H . . 2.800 1.786 1.732 1.889 . 0 0 "[ . 1 . 2]" 2
8 1 40 ARG O 1 67 VAL N . . 3.800 2.781 2.713 2.882 . 0 0 "[ . 1 . 2]" 2
9 1 43 ASP O 1 148 ALA H . . 2.800 2.399 1.844 2.804 0.004 3 0 "[ . 1 . 2]" 2
10 1 43 ASP O 1 148 ALA N . . 3.800 3.183 2.844 3.489 . 0 0 "[ . 1 . 2]" 2
11 1 45 GLU H 1 146 GLU O . . 2.800 1.920 1.807 2.064 . 0 0 "[ . 1 . 2]" 2
12 1 45 GLU N 1 146 GLU O . . 3.800 2.900 2.808 3.003 . 0 0 "[ . 1 . 2]" 2
13 1 45 GLU O 1 146 GLU H . . 2.800 1.870 1.752 2.042 . 0 0 "[ . 1 . 2]" 2
14 1 45 GLU O 1 146 GLU N . . 3.800 2.870 2.766 3.022 . 0 0 "[ . 1 . 2]" 2
15 1 46 MET O 1 54 GLN H . . 2.800 2.452 1.980 2.882 0.082 9 0 "[ . 1 . 2]" 2
16 1 46 MET O 1 54 GLN N . . 3.800 3.369 2.986 3.827 0.027 9 0 "[ . 1 . 2]" 2
17 1 47 LYS H 1 144 LEU O . . 2.800 1.974 1.823 2.264 . 0 0 "[ . 1 . 2]" 2
18 1 47 LYS N 1 144 LEU O . . 3.800 2.967 2.822 3.277 . 0 0 "[ . 1 . 2]" 2
19 1 47 LYS O 1 144 LEU H . . 2.800 1.911 1.749 2.108 . 0 0 "[ . 1 . 2]" 2
20 1 47 LYS O 1 144 LEU N . . 3.800 2.807 2.728 3.009 . 0 0 "[ . 1 . 2]" 2
21 1 42 ILE O 1 65 ALA H . . 2.800 2.225 1.828 2.856 0.056 12 0 "[ . 1 . 2]" 2
22 1 42 ILE O 1 65 ALA N . . 3.800 3.076 2.814 3.521 . 0 0 "[ . 1 . 2]" 2
23 1 66 ARG H 1 77 GLU O . . 2.800 2.010 1.850 2.280 . 0 0 "[ . 1 . 2]" 2
24 1 66 ARG N 1 77 GLU O . . 3.800 2.930 2.791 3.124 . 0 0 "[ . 1 . 2]" 2
25 1 66 ARG O 1 77 GLU H . . 2.800 1.944 1.829 2.260 . 0 0 "[ . 1 . 2]" 2
26 1 66 ARG O 1 77 GLU N . . 3.800 2.928 2.817 3.213 . 0 0 "[ . 1 . 2]" 2
27 1 68 ILE H 1 75 GLU O . . 2.800 1.920 1.770 2.188 . 0 0 "[ . 1 . 2]" 2
28 1 68 ILE N 1 75 GLU O . . 3.800 2.807 2.724 3.002 . 0 0 "[ . 1 . 2]" 2
29 1 68 ILE O 1 75 GLU H . . 2.800 2.391 1.890 2.815 0.015 18 0 "[ . 1 . 2]" 2
30 1 68 ILE O 1 75 GLU N . . 3.800 3.375 2.884 3.820 0.020 18 0 "[ . 1 . 2]" 2
31 1 74 PRO O 1 118 VAL H . . 2.800 1.945 1.787 2.366 . 0 0 "[ . 1 . 2]" 2
32 1 74 PRO O 1 118 VAL N . . 3.800 2.934 2.791 3.329 . 0 0 "[ . 1 . 2]" 2
33 1 76 ILE H 1 116 PHE O . . 2.800 1.926 1.764 2.333 . 0 0 "[ . 1 . 2]" 2
34 1 76 ILE N 1 116 PHE O . . 3.800 2.922 2.775 3.313 . 0 0 "[ . 1 . 2]" 2
35 1 76 ILE O 1 116 PHE H . . 2.800 2.042 1.808 2.439 . 0 0 "[ . 1 . 2]" 2
36 1 76 ILE O 1 116 PHE N . . 3.800 3.017 2.804 3.352 . 0 0 "[ . 1 . 2]" 2
37 1 78 LEU H 1 114 ILE O . . 2.800 1.929 1.805 2.143 . 0 0 "[ . 1 . 2]" 2
38 1 78 LEU N 1 114 ILE O . . 3.800 2.913 2.823 3.113 . 0 0 "[ . 1 . 2]" 2
39 1 78 LEU O 1 114 ILE H . . 2.800 1.915 1.859 2.034 . 0 0 "[ . 1 . 2]" 2
40 1 78 LEU O 1 114 ILE N . . 3.800 2.922 2.865 3.043 . 0 0 "[ . 1 . 2]" 2
41 1 80 LEU H 1 112 ALA O . . 2.800 1.835 1.773 1.905 . 0 0 "[ . 1 . 2]" 2
42 1 80 LEU N 1 112 ALA O . . 3.800 2.830 2.769 2.896 . 0 0 "[ . 1 . 2]" 2
43 1 80 LEU O 1 112 ALA H . . 2.800 1.933 1.786 2.772 . 0 0 "[ . 1 . 2]" 2
44 1 80 LEU O 1 112 ALA N . . 3.800 2.927 2.787 3.754 . 0 0 "[ . 1 . 2]" 2
45 1 87 ARG H 1 130 SER O . . 2.800 2.037 1.829 2.530 . 0 0 "[ . 1 . 2]" 2
46 1 87 ARG N 1 130 SER O . . 3.800 2.927 2.810 3.151 . 0 0 "[ . 1 . 2]" 2
47 1 88 LYS O 1 130 SER H . . 2.800 2.146 1.805 2.836 0.036 12 0 "[ . 1 . 2]" 2
48 1 88 LYS O 1 130 SER N . . 3.800 3.010 2.806 3.501 . 0 0 "[ . 1 . 2]" 2
49 1 90 GLU H 1 128 VAL O . . 2.800 2.035 1.856 2.347 . 0 0 "[ . 1 . 2]" 2
50 1 90 GLU N 1 128 VAL O . . 3.800 2.944 2.823 3.050 . 0 0 "[ . 1 . 2]" 2
51 1 90 GLU O 1 128 VAL H . . 2.800 2.008 1.785 2.304 . 0 0 "[ . 1 . 2]" 2
52 1 90 GLU O 1 128 VAL N . . 3.800 2.965 2.788 3.202 . 0 0 "[ . 1 . 2]" 2
53 1 91 VAL O 1 98 LEU H . . 2.800 2.049 1.922 2.266 . 0 0 "[ . 1 . 2]" 2
54 1 91 VAL O 1 98 LEU N . . 3.800 3.036 2.927 3.266 . 0 0 "[ . 1 . 2]" 2
55 1 92 TYR H 1 126 LYS O . . 2.800 2.108 1.920 2.481 . 0 0 "[ . 1 . 2]" 2
56 1 92 TYR N 1 126 LYS O . . 3.800 3.070 2.892 3.474 . 0 0 "[ . 1 . 2]" 2
57 1 92 TYR O 1 126 LYS H . . 2.800 2.028 1.797 2.662 . 0 0 "[ . 1 . 2]" 2
58 1 92 TYR O 1 126 LYS N . . 3.800 2.974 2.777 3.552 . 0 0 "[ . 1 . 2]" 2
59 1 93 GLU H 1 96 LYS O . . 2.800 1.844 1.768 1.939 . 0 0 "[ . 1 . 2]" 2
60 1 93 GLU N 1 96 LYS O . . 3.800 2.837 2.756 2.950 . 0 0 "[ . 1 . 2]" 2
61 1 101 LYS H 1 115 ARG O . . 2.800 2.155 1.856 2.820 0.020 7 0 "[ . 1 . 2]" 2
62 1 101 LYS N 1 115 ARG O . . 3.800 3.114 2.846 3.812 0.012 7 0 "[ . 1 . 2]" 2
63 1 101 LYS O 1 115 ARG H . . 2.800 1.972 1.841 2.324 . 0 0 "[ . 1 . 2]" 2
64 1 101 LYS O 1 115 ARG N . . 3.800 2.933 2.790 3.167 . 0 0 "[ . 1 . 2]" 2
65 1 104 SER H 1 113 TYR O . . 2.800 2.530 2.224 2.806 0.006 9 0 "[ . 1 . 2]" 2
66 1 104 SER N 1 113 TYR O . . 3.800 3.496 3.211 3.754 . 0 0 "[ . 1 . 2]" 2
67 1 104 SER O 1 113 TYR H . . 2.800 1.906 1.763 2.592 . 0 0 "[ . 1 . 2]" 2
68 1 104 SER O 1 113 TYR N . . 3.800 2.869 2.772 3.233 . 0 0 "[ . 1 . 2]" 2
69 1 106 ASP H 1 111 TYR O . . 2.800 1.922 1.826 2.053 . 0 0 "[ . 1 . 2]" 2
70 1 106 ASP N 1 111 TYR O . . 3.800 2.915 2.819 3.062 . 0 0 "[ . 1 . 2]" 2
71 1 106 ASP O 1 110 ASP H . . 2.800 2.201 1.961 2.590 . 0 0 "[ . 1 . 2]" 2
72 1 106 ASP O 1 110 ASP N . . 3.800 2.925 2.789 3.095 . 0 0 "[ . 1 . 2]" 2
73 1 123 LYS O 1 147 PHE H . . 2.800 2.168 1.882 2.800 0.000 13 0 "[ . 1 . 2]" 2
74 1 123 LYS O 1 147 PHE N . . 3.800 3.135 2.890 3.723 . 0 0 "[ . 1 . 2]" 2
75 1 125 VAL H 1 145 MET O . . 2.800 1.909 1.772 2.733 . 0 0 "[ . 1 . 2]" 2
76 1 125 VAL N 1 145 MET O . . 3.800 2.903 2.774 3.644 . 0 0 "[ . 1 . 2]" 2
77 1 125 VAL O 1 145 MET H . . 2.800 1.905 1.847 2.024 . 0 0 "[ . 1 . 2]" 2
78 1 125 VAL O 1 145 MET N . . 3.800 2.900 2.838 2.998 . 0 0 "[ . 1 . 2]" 2
79 1 127 ILE H 1 143 THR O . . 2.800 1.777 1.719 1.851 . 0 0 "[ . 1 . 2]" 2
80 1 127 ILE N 1 143 THR O . . 3.800 2.775 2.725 2.863 . 0 0 "[ . 1 . 2]" 2
81 1 19 GLU O 1 22 GLU H . . 2.800 2.071 1.829 2.636 . 0 0 "[ . 1 . 2]" 2
82 1 19 GLU O 1 22 GLU N . . 3.800 2.950 2.778 3.399 . 0 0 "[ . 1 . 2]" 2
83 1 20 LEU H 1 87 ARG O . . 2.800 2.324 1.884 2.813 0.013 1 0 "[ . 1 . 2]" 2
84 1 20 LEU N 1 87 ARG O . . 3.800 3.118 2.859 3.646 . 0 0 "[ . 1 . 2]" 2
85 1 21 ARG O 1 24 ILE H . . 2.800 2.866 2.834 2.906 0.106 5 0 "[ . 1 . 2]" 2
86 1 21 ARG O 1 24 ILE N . . 3.800 3.724 3.477 3.828 0.028 4 0 "[ . 1 . 2]" 2
87 1 23 ALA O 1 26 ASN H . . 2.800 2.499 1.985 2.809 0.009 7 0 "[ . 1 . 2]" 2
88 1 23 ALA O 1 26 ASN N . . 3.800 3.449 2.969 3.801 0.001 7 0 "[ . 1 . 2]" 2
89 1 36 ALA O 1 39 SER H . . 2.800 2.519 1.968 2.821 0.021 1 0 "[ . 1 . 2]" 2
90 1 36 ALA O 1 39 SER N . . 3.800 3.254 2.943 3.636 . 0 0 "[ . 1 . 2]" 2
91 1 38 ASN O 1 69 PHE H . . 2.800 2.183 1.875 2.544 . 0 0 "[ . 1 . 2]" 2
92 1 38 ASN O 1 69 PHE N . . 3.800 3.140 2.852 3.513 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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