NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
306440 |
1p6s   |
5778 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1p6s
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 944
_Distance_constraint_stats_list.Viol_count 1094
_Distance_constraint_stats_list.Viol_total 1381.355
_Distance_constraint_stats_list.Viol_max 0.441
_Distance_constraint_stats_list.Viol_rms 0.0205
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0037
_Distance_constraint_stats_list.Viol_average_violations_only 0.0631
_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 1 MET 0.003 0.003 8 0 "[ . 1 . 2]"
1 2 ASN 0.545 0.171 9 0 "[ . 1 . 2]"
1 3 GLU 0.737 0.171 9 0 "[ . 1 . 2]"
1 4 VAL 1.528 0.166 15 0 "[ . 1 . 2]"
1 5 SER 0.504 0.077 10 0 "[ . 1 . 2]"
1 6 VAL 0.841 0.087 8 0 "[ . 1 . 2]"
1 7 ILE 0.030 0.030 19 0 "[ . 1 . 2]"
1 8 LYS 0.351 0.061 7 0 "[ . 1 . 2]"
1 9 GLU 1.356 0.199 14 0 "[ . 1 . 2]"
1 10 GLY 6.674 0.245 9 0 "[ . 1 . 2]"
1 11 TRP 1.917 0.170 1 0 "[ . 1 . 2]"
1 12 LEU 1.863 0.145 1 0 "[ . 1 . 2]"
1 13 HIS 2.065 0.142 5 0 "[ . 1 . 2]"
1 15 ARG 0.794 0.110 2 0 "[ . 1 . 2]"
1 16 GLY 0.542 0.206 9 0 "[ . 1 . 2]"
1 17 GLU 0.554 0.206 9 0 "[ . 1 . 2]"
1 18 TYR 0.012 0.012 3 0 "[ . 1 . 2]"
1 19 ILE 0.069 0.069 3 0 "[ . 1 . 2]"
1 20 LYS 0.747 0.197 15 0 "[ . 1 . 2]"
1 21 THR 3.727 0.276 5 0 "[ . 1 . 2]"
1 22 TRP 4.622 0.276 5 0 "[ . 1 . 2]"
1 23 ARG 0.877 0.114 19 0 "[ . 1 . 2]"
1 24 PRO 0.319 0.103 6 0 "[ . 1 . 2]"
1 25 ARG 0.625 0.092 4 0 "[ . 1 . 2]"
1 26 TYR 1.120 0.145 1 0 "[ . 1 . 2]"
1 27 PHE 0.770 0.130 18 0 "[ . 1 . 2]"
1 28 LEU 2.190 0.203 5 0 "[ . 1 . 2]"
1 29 LEU 2.142 0.245 9 0 "[ . 1 . 2]"
1 30 LYS 2.126 0.165 9 0 "[ . 1 . 2]"
1 31 SER 0.552 0.087 8 0 "[ . 1 . 2]"
1 32 ASP 3.211 0.165 9 0 "[ . 1 . 2]"
1 33 GLY 1.523 0.123 18 0 "[ . 1 . 2]"
1 34 SER 1.910 0.152 13 0 "[ . 1 . 2]"
1 35 PHE 1.899 0.163 5 0 "[ . 1 . 2]"
1 36 ILE 3.401 0.304 9 0 "[ . 1 . 2]"
1 37 GLY 0.438 0.087 2 0 "[ . 1 . 2]"
1 38 TYR 2.919 0.250 12 0 "[ . 1 . 2]"
1 39 LYS 0.355 0.092 4 0 "[ . 1 . 2]"
1 40 GLU 1.101 0.136 14 0 "[ . 1 . 2]"
1 41 ARG 1.777 0.170 1 0 "[ . 1 . 2]"
1 42 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLU 0.018 0.018 1 0 "[ . 1 . 2]"
1 44 ALA 0.165 0.082 1 0 "[ . 1 . 2]"
1 45 PRO 0.007 0.007 5 0 "[ . 1 . 2]"
1 46 ASP 0.007 0.007 5 0 "[ . 1 . 2]"
1 47 GLN 1.439 0.441 17 0 "[ . 1 . 2]"
1 48 THR 8.377 0.441 17 0 "[ . 1 . 2]"
1 49 LEU 6.618 0.318 9 0 "[ . 1 . 2]"
1 50 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 PRO 1.217 0.156 1 0 "[ . 1 . 2]"
1 52 LEU 0.174 0.153 4 0 "[ . 1 . 2]"
1 53 ASN 1.575 0.250 12 0 "[ . 1 . 2]"
1 54 ASN 2.497 0.304 9 0 "[ . 1 . 2]"
1 55 PHE 0.309 0.163 5 0 "[ . 1 . 2]"
1 56 SER 0.819 0.128 4 0 "[ . 1 . 2]"
1 57 VAL 0.204 0.204 3 0 "[ . 1 . 2]"
1 58 ALA 2.377 0.204 3 0 "[ . 1 . 2]"
1 61 GLN 0.001 0.001 1 0 "[ . 1 . 2]"
1 62 LEU 1.188 0.122 5 0 "[ . 1 . 2]"
1 63 MET 0.690 0.129 5 0 "[ . 1 . 2]"
1 64 LYS 1.165 0.168 16 0 "[ . 1 . 2]"
1 65 THR 1.321 0.114 14 0 "[ . 1 . 2]"
1 66 GLU 0.468 0.095 17 0 "[ . 1 . 2]"
1 67 ARG 0.640 0.089 8 0 "[ . 1 . 2]"
1 68 PRO 0.289 0.089 8 0 "[ . 1 . 2]"
1 69 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 PRO 0.044 0.040 2 0 "[ . 1 . 2]"
1 71 ASN 0.883 0.095 17 0 "[ . 1 . 2]"
1 72 THR 1.256 0.153 5 0 "[ . 1 . 2]"
1 73 PHE 2.011 0.168 16 0 "[ . 1 . 2]"
1 74 VAL 1.889 0.122 5 0 "[ . 1 . 2]"
1 75 ILE 1.211 0.129 5 0 "[ . 1 . 2]"
1 76 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 PHE 2.910 0.143 1 0 "[ . 1 . 2]"
1 89 HIS 2.372 0.153 5 0 "[ . 1 . 2]"
1 90 VAL 1.954 0.130 14 0 "[ . 1 . 2]"
1 91 ASP 0.643 0.118 3 0 "[ . 1 . 2]"
1 92 SER 0.400 0.107 1 0 "[ . 1 . 2]"
1 93 PRO 0.857 0.213 9 0 "[ . 1 . 2]"
1 94 ASP 0.143 0.065 14 0 "[ . 1 . 2]"
1 95 GLU 2.905 0.402 19 0 "[ . 1 . 2]"
1 96 ARG 3.112 0.139 19 0 "[ . 1 . 2]"
1 97 GLU 2.070 0.213 9 0 "[ . 1 . 2]"
1 98 GLU 1.649 0.232 19 0 "[ . 1 . 2]"
1 99 TRP 8.772 0.402 19 0 "[ . 1 . 2]"
1 100 MET 1.430 0.130 16 0 "[ . 1 . 2]"
1 101 ARG 1.317 0.090 2 0 "[ . 1 . 2]"
1 102 ALA 0.090 0.043 6 0 "[ . 1 . 2]"
1 103 ILE 0.264 0.060 19 0 "[ . 1 . 2]"
1 104 GLN 0.970 0.106 5 0 "[ . 1 . 2]"
1 105 MET 1.297 0.203 18 0 "[ . 1 . 2]"
1 106 VAL 0.354 0.094 10 0 "[ . 1 . 2]"
1 107 ALA 0.380 0.106 5 0 "[ . 1 . 2]"
1 108 ASN 1.379 0.203 18 0 "[ . 1 . 2]"
1 109 SER 0.352 0.094 10 0 "[ . 1 . 2]"
1 110 LEU 2.472 0.202 12 0 "[ . 1 . 2]"
1 111 LYS 0.361 0.066 5 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 1 MET HA 1 2 ASN H 3.600 . 3.600 2.683 2.203 3.603 0.003 8 0 "[ . 1 . 2]" 1
2 1 1 MET QB 1 2 ASN H 4.400 . 4.400 3.007 2.074 4.071 . 0 0 "[ . 1 . 2]" 1
3 1 1 MET H1 1 2 ASN H 4.800 . 4.800 3.711 2.211 4.630 . 0 0 "[ . 1 . 2]" 1
4 1 2 ASN HA 1 2 ASN HD21 4.600 . 4.600 3.691 2.426 4.338 . 0 0 "[ . 1 . 2]" 1
5 1 2 ASN HA 1 3 GLU H 2.800 . 2.800 2.488 2.213 2.971 0.171 9 0 "[ . 1 . 2]" 1
6 1 2 ASN HA 1 4 VAL H 4.800 . 4.800 4.386 3.598 4.879 0.079 5 0 "[ . 1 . 2]" 1
7 1 2 ASN H 1 2 ASN QB 3.800 . 3.800 2.746 2.041 3.307 . 0 0 "[ . 1 . 2]" 1
8 1 2 ASN QB 1 3 GLU H 4.600 . 4.600 3.505 2.057 4.063 . 0 0 "[ . 1 . 2]" 1
9 1 2 ASN QB 1 4 VAL H 5.800 . 5.800 4.393 2.900 5.319 . 0 0 "[ . 1 . 2]" 1
10 1 2 ASN H 1 3 GLU H 4.800 . 4.800 3.762 2.327 4.662 . 0 0 "[ . 1 . 2]" 1
11 1 3 GLU HA 1 4 VAL HA 4.800 . 4.800 4.610 4.493 4.732 . 0 0 "[ . 1 . 2]" 1
12 1 3 GLU HA 1 4 VAL H 2.800 . 2.800 2.652 2.313 2.966 0.166 15 0 "[ . 1 . 2]" 1
13 1 3 GLU QB 1 4 VAL H 4.600 . 4.600 4.029 3.838 4.081 . 0 0 "[ . 1 . 2]" 1
14 1 3 GLU QG 1 4 VAL H 4.600 . 4.600 3.903 3.473 4.276 . 0 0 "[ . 1 . 2]" 1
15 1 3 GLU H 1 4 VAL H 4.800 . 4.800 3.099 2.369 4.046 . 0 0 "[ . 1 . 2]" 1
16 1 4 VAL HA 1 5 SER HA 4.800 . 4.800 4.493 4.465 4.508 . 0 0 "[ . 1 . 2]" 1
17 1 4 VAL HA 1 5 SER H 2.800 . 2.800 2.220 2.199 2.254 . 0 0 "[ . 1 . 2]" 1
18 1 4 VAL HA 1 31 SER H 4.800 . 4.800 4.441 4.008 4.818 0.018 2 0 "[ . 1 . 2]" 1
19 1 4 VAL H 1 4 VAL HB 2.400 . 2.400 2.347 2.091 2.499 0.099 20 0 "[ . 1 . 2]" 1
20 1 4 VAL HB 1 5 SER H 4.400 . 4.400 4.325 4.147 4.441 0.041 12 0 "[ . 1 . 2]" 1
21 1 4 VAL HB 1 31 SER QB 5.400 . 5.400 4.789 4.414 4.947 . 0 0 "[ . 1 . 2]" 1
22 1 4 VAL MG1 1 5 SER HA 5.800 . 5.800 3.839 3.559 4.112 . 0 0 "[ . 1 . 2]" 1
23 1 4 VAL MG1 1 5 SER H 3.800 . 3.800 2.773 2.404 3.066 . 0 0 "[ . 1 . 2]" 1
24 1 4 VAL MG1 1 30 LYS QB 4.600 . 4.600 1.951 1.715 2.251 0.085 12 0 "[ . 1 . 2]" 1
25 1 4 VAL MG1 1 30 LYS H 5.800 . 5.800 4.758 4.417 4.994 . 0 0 "[ . 1 . 2]" 1
26 1 4 VAL MG1 1 31 SER QB 4.800 . 4.800 2.296 1.843 2.612 . 0 0 "[ . 1 . 2]" 1
27 1 4 VAL MG1 1 31 SER H 4.600 . 4.600 2.201 1.990 2.482 . 0 0 "[ . 1 . 2]" 1
28 1 4 VAL MG1 1 32 ASP HA 5.400 . 5.400 3.337 2.952 3.706 . 0 0 "[ . 1 . 2]" 1
29 1 4 VAL MG1 1 32 ASP H 3.800 . 3.800 2.035 1.918 2.141 . 0 0 "[ . 1 . 2]" 1
30 1 4 VAL MG1 1 33 GLY H 5.400 . 5.400 4.070 3.909 4.179 . 0 0 "[ . 1 . 2]" 1
31 1 4 VAL MG1 1 34 SER H 5.800 . 5.800 4.705 4.493 4.861 . 0 0 "[ . 1 . 2]" 1
32 1 3 GLU H 1 4 VAL MG2 4.600 . 4.600 3.221 2.628 3.725 . 0 0 "[ . 1 . 2]" 1
33 1 4 VAL H 1 4 VAL MG2 4.600 . 4.600 2.633 2.183 3.028 . 0 0 "[ . 1 . 2]" 1
34 1 4 VAL MG2 1 5 SER H 5.800 . 5.800 3.976 3.612 4.130 . 0 0 "[ . 1 . 2]" 1
35 1 4 VAL MG2 1 32 ASP HA 4.600 . 4.600 3.228 2.787 3.682 . 0 0 "[ . 1 . 2]" 1
36 1 4 VAL MG2 1 32 ASP QB 5.600 . 5.600 1.964 1.832 2.282 . 0 0 "[ . 1 . 2]" 1
37 1 4 VAL MG2 1 32 ASP H 4.600 . 4.600 3.580 3.287 3.778 . 0 0 "[ . 1 . 2]" 1
38 1 4 VAL H 1 5 SER H 4.800 . 4.800 4.470 4.255 4.655 . 0 0 "[ . 1 . 2]" 1
39 1 5 SER HA 1 6 VAL H 2.800 . 2.800 2.547 2.396 2.684 . 0 0 "[ . 1 . 2]" 1
40 1 5 SER QB 1 6 VAL H 4.600 . 4.600 2.430 2.110 3.118 . 0 0 "[ . 1 . 2]" 1
41 1 5 SER H 1 6 VAL H 4.800 . 4.800 4.563 4.485 4.643 . 0 0 "[ . 1 . 2]" 1
42 1 5 SER H 1 7 ILE MD 5.400 . 5.400 4.147 3.399 4.426 . 0 0 "[ . 1 . 2]" 1
43 1 5 SER H 1 31 SER QB 4.600 . 4.600 2.552 2.137 2.773 . 0 0 "[ . 1 . 2]" 1
44 1 5 SER H 1 31 SER H 3.600 . 3.600 3.502 3.098 3.677 0.077 10 0 "[ . 1 . 2]" 1
45 1 6 VAL HA 1 7 ILE H 2.800 . 2.800 2.227 2.204 2.252 . 0 0 "[ . 1 . 2]" 1
46 1 6 VAL HA 1 8 LYS H 4.400 . 4.400 4.116 3.944 4.325 . 0 0 "[ . 1 . 2]" 1
47 1 6 VAL HA 1 30 LYS HA 2.400 . 2.400 1.794 1.739 1.852 0.061 12 0 "[ . 1 . 2]" 1
48 1 6 VAL HA 1 30 LYS QB 4.600 . 4.600 3.620 3.248 3.886 . 0 0 "[ . 1 . 2]" 1
49 1 6 VAL HA 1 30 LYS H 4.800 . 4.800 4.522 4.329 4.669 . 0 0 "[ . 1 . 2]" 1
50 1 6 VAL HA 1 31 SER H 3.600 . 3.600 3.441 3.263 3.687 0.087 8 0 "[ . 1 . 2]" 1
51 1 6 VAL H 1 6 VAL HB 2.400 . 2.400 2.302 2.207 2.444 0.044 20 0 "[ . 1 . 2]" 1
52 1 6 VAL HB 1 7 ILE H 4.800 . 4.800 4.244 4.117 4.383 . 0 0 "[ . 1 . 2]" 1
53 1 6 VAL HB 1 30 LYS HA 4.800 . 4.800 4.806 4.759 4.860 0.060 4 0 "[ . 1 . 2]" 1
54 1 6 VAL MG1 1 7 ILE H 4.600 . 4.600 2.572 2.308 2.851 . 0 0 "[ . 1 . 2]" 1
55 1 6 VAL MG1 1 8 LYS H 3.800 . 3.800 2.645 2.487 2.856 . 0 0 "[ . 1 . 2]" 1
56 1 6 VAL MG1 1 9 GLU H 5.800 . 5.800 4.011 3.679 4.513 . 0 0 "[ . 1 . 2]" 1
57 1 6 VAL MG1 1 28 LEU QB 6.400 . 6.400 2.857 2.235 4.052 . 0 0 "[ . 1 . 2]" 1
58 1 6 VAL MG1 1 29 LEU H 4.600 . 4.600 3.209 2.934 3.715 . 0 0 "[ . 1 . 2]" 1
59 1 6 VAL MG1 1 30 LYS HA 5.400 . 5.400 3.349 3.106 3.633 . 0 0 "[ . 1 . 2]" 1
60 1 6 VAL H 1 6 VAL MG2 3.800 . 3.800 2.470 2.281 2.677 . 0 0 "[ . 1 . 2]" 1
61 1 6 VAL MG2 1 7 ILE H 5.400 . 5.400 3.914 3.752 4.011 . 0 0 "[ . 1 . 2]" 1
62 1 6 VAL MG2 1 8 LYS H 5.800 . 5.800 4.873 4.815 4.931 . 0 0 "[ . 1 . 2]" 1
63 1 6 VAL MG2 1 30 LYS HA 5.400 . 5.400 3.236 3.057 3.504 . 0 0 "[ . 1 . 2]" 1
64 1 6 VAL H 1 7 ILE H 4.800 . 4.800 4.577 4.493 4.623 . 0 0 "[ . 1 . 2]" 1
65 1 6 VAL H 1 30 LYS HA 4.800 . 4.800 4.516 4.312 4.610 . 0 0 "[ . 1 . 2]" 1
66 1 6 VAL H 1 30 LYS QD 5.800 . 5.800 4.084 3.456 5.021 . 0 0 "[ . 1 . 2]" 1
67 1 7 ILE HA 1 8 LYS H 3.600 . 3.600 3.582 3.561 3.600 . 0 0 "[ . 1 . 2]" 1
68 1 7 ILE H 1 7 ILE HB 2.800 . 2.800 2.196 2.127 2.329 . 0 0 "[ . 1 . 2]" 1
69 1 7 ILE HB 1 8 LYS H 3.600 . 3.600 2.735 2.347 2.987 . 0 0 "[ . 1 . 2]" 1
70 1 7 ILE HB 1 30 LYS HA 4.400 . 4.400 3.744 3.401 4.196 . 0 0 "[ . 1 . 2]" 1
71 1 7 ILE HB 1 31 SER HA 4.400 . 4.400 4.012 3.423 4.394 . 0 0 "[ . 1 . 2]" 1
72 1 7 ILE HA 1 7 ILE MD 4.600 . 4.600 2.184 1.908 2.626 . 0 0 "[ . 1 . 2]" 1
73 1 7 ILE H 1 7 ILE MD 4.600 . 4.600 2.816 2.376 3.530 . 0 0 "[ . 1 . 2]" 1
74 1 7 ILE MD 1 8 LYS H 5.800 . 5.800 4.279 4.054 4.553 . 0 0 "[ . 1 . 2]" 1
75 1 7 ILE MD 1 31 SER H 4.600 . 4.600 2.901 2.259 3.772 . 0 0 "[ . 1 . 2]" 1
76 1 7 ILE MD 1 106 VAL QG 7.000 . 7.000 3.292 2.392 4.111 . 0 0 "[ . 1 . 2]" 1
77 1 7 ILE HA 1 7 ILE QG 3.800 . 3.800 2.524 2.142 2.980 . 0 0 "[ . 1 . 2]" 1
78 1 7 ILE H 1 7 ILE MG 4.600 . 4.600 3.574 3.468 3.726 . 0 0 "[ . 1 . 2]" 1
79 1 7 ILE MG 1 8 LYS H 3.800 . 3.800 2.988 2.798 3.237 . 0 0 "[ . 1 . 2]" 1
80 1 7 ILE MG 1 102 ALA MB 4.800 . 4.800 2.478 1.846 2.988 . 0 0 "[ . 1 . 2]" 1
81 1 7 ILE MG 1 106 VAL QG 6.200 . 6.200 2.427 1.836 3.092 . 0 0 "[ . 1 . 2]" 1
82 1 7 ILE MG 1 106 VAL H 5.800 . 5.800 4.204 2.966 4.707 . 0 0 "[ . 1 . 2]" 1
83 1 7 ILE H 1 8 LYS H 2.800 . 2.800 2.310 2.204 2.537 . 0 0 "[ . 1 . 2]" 1
84 1 7 ILE H 1 29 LEU H 4.800 . 4.800 4.414 4.282 4.576 . 0 0 "[ . 1 . 2]" 1
85 1 7 ILE H 1 30 LYS HA 3.600 . 3.600 2.366 2.155 2.595 . 0 0 "[ . 1 . 2]" 1
86 1 7 ILE H 1 30 LYS H 4.800 . 4.800 4.360 4.163 4.525 . 0 0 "[ . 1 . 2]" 1
87 1 7 ILE H 1 31 SER H 4.800 . 4.800 3.949 3.423 4.209 . 0 0 "[ . 1 . 2]" 1
88 1 8 LYS HA 1 9 GLU H 2.400 . 2.400 2.238 2.207 2.376 . 0 0 "[ . 1 . 2]" 1
89 1 8 LYS HA 1 99 TRP HZ3 4.800 . 4.800 4.472 3.976 4.804 0.004 18 0 "[ . 1 . 2]" 1
90 1 8 LYS QB 1 9 GLU H 4.600 . 4.600 3.446 3.008 3.696 . 0 0 "[ . 1 . 2]" 1
91 1 8 LYS QB 1 29 LEU H 4.600 . 4.600 3.643 2.877 4.163 . 0 0 "[ . 1 . 2]" 1
92 1 8 LYS QB 1 99 TRP HZ3 4.600 . 4.600 2.122 1.782 2.447 0.018 19 0 "[ . 1 . 2]" 1
93 1 8 LYS QG 1 99 TRP HZ3 5.400 . 5.400 3.303 1.886 4.639 . 0 0 "[ . 1 . 2]" 1
94 1 8 LYS H 1 9 GLU H 4.400 . 4.400 4.325 4.257 4.439 0.039 18 0 "[ . 1 . 2]" 1
95 1 8 LYS H 1 29 LEU H 3.600 . 3.600 3.136 2.938 3.412 . 0 0 "[ . 1 . 2]" 1
96 1 8 LYS H 1 30 LYS HA 4.400 . 4.400 4.303 4.096 4.456 0.056 11 0 "[ . 1 . 2]" 1
97 1 8 LYS H 1 99 TRP HZ3 4.800 . 4.800 4.593 4.220 4.861 0.061 7 0 "[ . 1 . 2]" 1
98 1 9 GLU HA 1 10 GLY H 2.400 . 2.400 2.253 2.225 2.298 . 0 0 "[ . 1 . 2]" 1
99 1 9 GLU HA 1 28 LEU HA 2.400 . 2.400 2.132 1.810 2.493 0.093 15 0 "[ . 1 . 2]" 1
100 1 9 GLU HA 1 28 LEU HG 4.800 . 4.800 3.934 2.257 4.999 0.199 14 0 "[ . 1 . 2]" 1
101 1 9 GLU HA 1 29 LEU H 3.600 . 3.600 3.143 2.772 3.548 . 0 0 "[ . 1 . 2]" 1
102 1 9 GLU HA 1 99 TRP HH2 3.600 . 3.600 2.998 2.611 3.479 . 0 0 "[ . 1 . 2]" 1
103 1 9 GLU HA 1 99 TRP HZ3 4.800 . 4.800 3.744 3.192 4.240 . 0 0 "[ . 1 . 2]" 1
104 1 9 GLU QB 1 10 GLY H 4.600 . 4.600 3.178 2.984 3.358 . 0 0 "[ . 1 . 2]" 1
105 1 9 GLU QB 1 28 LEU HA 5.400 . 5.400 3.389 2.398 4.403 . 0 0 "[ . 1 . 2]" 1
106 1 9 GLU QB 1 28 LEU QD 7.000 . 7.000 2.725 1.801 4.607 . 0 0 "[ . 1 . 2]" 1
107 1 9 GLU QB 1 29 LEU H 5.800 . 5.800 4.373 3.552 5.253 . 0 0 "[ . 1 . 2]" 1
108 1 9 GLU H 1 10 GLY H 4.800 . 4.800 4.393 4.299 4.482 . 0 0 "[ . 1 . 2]" 1
109 1 9 GLU H 1 29 LEU H 4.800 . 4.800 4.738 4.616 4.898 0.098 17 0 "[ . 1 . 2]" 1
110 1 9 GLU H 1 99 TRP HH2 4.800 . 4.800 4.029 3.615 4.299 . 0 0 "[ . 1 . 2]" 1
111 1 9 GLU H 1 99 TRP HZ3 4.400 . 4.400 4.220 3.594 4.478 0.078 14 0 "[ . 1 . 2]" 1
112 1 10 GLY HA3 1 11 TRP HD1 4.800 . 4.800 4.800 4.523 4.940 0.140 10 0 "[ . 1 . 2]" 1
113 1 10 GLY HA3 1 11 TRP H 2.800 . 2.800 2.730 2.627 2.924 0.124 17 0 "[ . 1 . 2]" 1
114 1 10 GLY HA3 1 99 TRP HH2 2.800 . 2.800 2.506 2.304 2.668 . 0 0 "[ . 1 . 2]" 1
115 1 10 GLY HA3 1 99 TRP HZ2 3.600 . 3.600 2.067 1.789 2.471 0.011 17 0 "[ . 1 . 2]" 1
116 1 10 GLY HA3 1 99 TRP HZ3 4.800 . 4.800 4.854 4.746 4.980 0.180 6 0 "[ . 1 . 2]" 1
117 1 10 GLY HA2 1 11 TRP HD1 4.800 . 4.800 3.498 3.170 3.620 . 0 0 "[ . 1 . 2]" 1
118 1 10 GLY HA2 1 11 TRP H 3.600 . 3.600 2.488 2.322 2.555 . 0 0 "[ . 1 . 2]" 1
119 1 10 GLY HA2 1 99 TRP HH2 3.600 . 3.600 3.714 3.502 3.784 0.184 10 0 "[ . 1 . 2]" 1
120 1 10 GLY HA2 1 99 TRP HZ2 4.400 . 4.400 3.770 3.511 4.216 . 0 0 "[ . 1 . 2]" 1
121 1 10 GLY H 1 11 TRP HA 4.800 . 4.800 4.710 4.629 4.766 . 0 0 "[ . 1 . 2]" 1
122 1 10 GLY H 1 11 TRP H 4.800 . 4.800 4.407 4.368 4.428 . 0 0 "[ . 1 . 2]" 1
123 1 10 GLY H 1 27 PHE H 3.600 . 3.600 3.466 3.204 3.712 0.112 15 0 "[ . 1 . 2]" 1
124 1 10 GLY H 1 28 LEU HA 4.400 . 4.400 3.350 3.059 3.691 . 0 0 "[ . 1 . 2]" 1
125 1 10 GLY H 1 29 LEU H 4.800 . 4.800 4.843 4.541 5.045 0.245 9 0 "[ . 1 . 2]" 1
126 1 10 GLY H 1 99 TRP HH2 4.400 . 4.400 2.304 1.936 3.146 . 0 0 "[ . 1 . 2]" 1
127 1 10 GLY H 1 99 TRP HZ2 4.400 . 4.400 3.764 3.530 4.072 . 0 0 "[ . 1 . 2]" 1
128 1 10 GLY H 1 99 TRP HZ3 4.800 . 4.800 4.320 4.017 4.812 0.012 19 0 "[ . 1 . 2]" 1
129 1 11 TRP HA 1 11 TRP HD1 4.400 . 4.400 3.793 3.335 3.952 . 0 0 "[ . 1 . 2]" 1
130 1 11 TRP HA 1 11 TRP HE3 4.400 . 4.400 3.389 3.190 3.851 . 0 0 "[ . 1 . 2]" 1
131 1 11 TRP HA 1 12 LEU H 2.400 . 2.400 2.229 2.182 2.272 . 0 0 "[ . 1 . 2]" 1
132 1 11 TRP HA 1 26 TYR HA 2.800 . 2.800 2.157 1.983 2.346 . 0 0 "[ . 1 . 2]" 1
133 1 11 TRP HA 1 26 TYR H 4.800 . 4.800 4.492 4.292 4.678 . 0 0 "[ . 1 . 2]" 1
134 1 11 TRP HA 1 27 PHE QB 5.800 . 5.800 3.853 3.412 4.538 . 0 0 "[ . 1 . 2]" 1
135 1 11 TRP HA 1 27 PHE H 3.600 . 3.600 2.616 2.279 2.996 . 0 0 "[ . 1 . 2]" 1
136 1 11 TRP QB 1 12 LEU H 4.600 . 4.600 3.266 3.097 3.475 . 0 0 "[ . 1 . 2]" 1
137 1 11 TRP QB 1 25 ARG H 5.400 . 5.400 4.029 3.752 4.454 . 0 0 "[ . 1 . 2]" 1
138 1 11 TRP H 1 11 TRP HD1 3.600 . 3.600 2.768 2.408 3.192 . 0 0 "[ . 1 . 2]" 1
139 1 11 TRP HD1 1 26 TYR HA 4.800 . 4.800 4.417 3.490 4.723 . 0 0 "[ . 1 . 2]" 1
140 1 11 TRP HE1 1 41 ARG QD 4.600 . 4.600 3.115 2.064 4.483 . 0 0 "[ . 1 . 2]" 1
141 1 11 TRP HE1 1 41 ARG QG 4.600 . 4.600 3.575 2.801 4.222 . 0 0 "[ . 1 . 2]" 1
142 1 11 TRP HE3 1 12 LEU H 4.400 . 4.400 3.752 3.370 4.126 . 0 0 "[ . 1 . 2]" 1
143 1 11 TRP HE3 1 25 ARG H 4.400 . 4.400 3.023 2.611 3.459 . 0 0 "[ . 1 . 2]" 1
144 1 11 TRP HE3 1 26 TYR HA 4.400 . 4.400 3.696 3.267 4.184 . 0 0 "[ . 1 . 2]" 1
145 1 11 TRP HE3 1 26 TYR H 4.800 . 4.800 3.724 3.366 4.466 . 0 0 "[ . 1 . 2]" 1
146 1 11 TRP HH2 1 40 GLU QB 5.400 . 5.400 4.075 3.522 4.683 . 0 0 "[ . 1 . 2]" 1
147 1 11 TRP HH2 1 40 GLU QG 4.600 . 4.600 3.121 1.989 3.959 . 0 0 "[ . 1 . 2]" 1
148 1 11 TRP HH2 1 41 ARG HA 4.800 . 4.800 4.522 3.776 4.970 0.170 1 0 "[ . 1 . 2]" 1
149 1 11 TRP HH2 1 41 ARG QB 5.800 . 5.800 3.817 2.323 4.887 . 0 0 "[ . 1 . 2]" 1
150 1 11 TRP HH2 1 41 ARG QD 5.400 . 5.400 4.308 3.021 4.998 . 0 0 "[ . 1 . 2]" 1
151 1 11 TRP HH2 1 41 ARG QG 4.600 . 4.600 3.605 2.987 4.243 . 0 0 "[ . 1 . 2]" 1
152 1 11 TRP HH2 1 41 ARG H 4.400 . 4.400 3.024 1.965 3.915 . 0 0 "[ . 1 . 2]" 1
153 1 11 TRP H 1 12 LEU H 4.800 . 4.800 4.556 4.489 4.624 . 0 0 "[ . 1 . 2]" 1
154 1 11 TRP HZ2 1 41 ARG QD 4.600 . 4.600 2.571 1.769 3.705 0.031 16 0 "[ . 1 . 2]" 1
155 1 11 TRP HZ3 1 25 ARG HA 4.800 . 4.800 2.573 2.283 3.042 . 0 0 "[ . 1 . 2]" 1
156 1 11 TRP HZ3 1 25 ARG H 4.800 . 4.800 4.314 3.725 4.839 0.039 17 0 "[ . 1 . 2]" 1
157 1 11 TRP HZ3 1 26 TYR QB 5.400 . 5.400 3.836 3.411 4.712 . 0 0 "[ . 1 . 2]" 1
158 1 11 TRP HZ3 1 26 TYR H 4.800 . 4.800 3.222 2.871 4.133 . 0 0 "[ . 1 . 2]" 1
159 1 11 TRP HZ3 1 40 GLU HA 4.400 . 4.400 3.393 2.630 4.081 . 0 0 "[ . 1 . 2]" 1
160 1 12 LEU HA 1 13 HIS H 2.800 . 2.800 2.361 2.254 2.432 . 0 0 "[ . 1 . 2]" 1
161 1 12 LEU HA 1 25 ARG H 4.800 . 4.800 4.494 4.363 4.754 . 0 0 "[ . 1 . 2]" 1
162 1 12 LEU HA 1 90 VAL MG1 5.400 . 5.400 4.138 3.881 4.343 . 0 0 "[ . 1 . 2]" 1
163 1 12 LEU QB 1 13 HIS H 4.600 . 4.600 2.764 2.572 3.009 . 0 0 "[ . 1 . 2]" 1
164 1 12 LEU QB 1 90 VAL HA 5.400 . 5.400 3.453 2.942 4.047 . 0 0 "[ . 1 . 2]" 1
165 1 12 LEU H 1 12 LEU MD1 5.400 . 5.400 3.984 3.739 4.292 . 0 0 "[ . 1 . 2]" 1
166 1 12 LEU MD1 1 27 PHE QE 7.000 . 7.000 3.829 2.576 4.534 . 0 0 "[ . 1 . 2]" 1
167 1 12 LEU MD1 1 35 PHE QD 7.800 . 7.800 3.917 3.012 4.623 . 0 0 "[ . 1 . 2]" 1
168 1 12 LEU MD1 1 35 PHE QE 7.000 . 7.000 3.018 2.624 3.662 . 0 0 "[ . 1 . 2]" 1
169 1 12 LEU MD1 1 88 PHE QD 7.800 . 7.800 3.260 2.981 3.577 . 0 0 "[ . 1 . 2]" 1
170 1 12 LEU MD1 1 88 PHE QE 7.000 . 7.000 2.463 2.214 2.778 . 0 0 "[ . 1 . 2]" 1
171 1 12 LEU MD1 1 88 PHE HZ 4.600 . 4.600 2.771 2.128 3.255 . 0 0 "[ . 1 . 2]" 1
172 1 12 LEU MD1 1 90 VAL MG1 6.400 . 6.400 3.358 3.024 3.705 . 0 0 "[ . 1 . 2]" 1
173 1 12 LEU MD1 1 99 TRP HZ2 5.400 . 5.400 3.540 2.948 4.373 . 0 0 "[ . 1 . 2]" 1
174 1 12 LEU HA 1 12 LEU MD2 3.800 . 3.800 1.969 1.785 2.199 0.015 11 0 "[ . 1 . 2]" 1
175 1 12 LEU H 1 12 LEU MD2 5.400 . 5.400 3.825 3.618 4.015 . 0 0 "[ . 1 . 2]" 1
176 1 12 LEU MD2 1 13 HIS H 4.600 . 4.600 3.262 2.845 3.490 . 0 0 "[ . 1 . 2]" 1
177 1 12 LEU MD2 1 88 PHE QD 7.800 . 7.800 3.233 2.532 3.954 . 0 0 "[ . 1 . 2]" 1
178 1 12 LEU MD2 1 88 PHE QE 5.800 . 5.800 1.791 1.679 2.005 0.121 12 0 "[ . 1 . 2]" 1
179 1 12 LEU MD2 1 88 PHE HZ 3.800 . 3.800 2.868 2.201 3.078 . 0 0 "[ . 1 . 2]" 1
180 1 12 LEU MD2 1 90 VAL HA 4.400 . 4.400 1.876 1.692 2.176 0.108 5 0 "[ . 1 . 2]" 1
181 1 12 LEU MD2 1 90 VAL HB 4.600 . 4.600 2.977 2.713 3.414 . 0 0 "[ . 1 . 2]" 1
182 1 12 LEU MD2 1 90 VAL MG1 4.400 . 4.400 1.954 1.777 2.282 0.023 3 0 "[ . 1 . 2]" 1
183 1 12 LEU MD2 1 91 ASP H 5.400 . 5.400 2.862 2.326 3.306 . 0 0 "[ . 1 . 2]" 1
184 1 12 LEU MD2 1 92 SER H 5.800 . 5.800 4.535 3.986 4.879 . 0 0 "[ . 1 . 2]" 1
185 1 12 LEU MD2 1 99 TRP HD1 4.600 . 4.600 3.271 2.778 3.607 . 0 0 "[ . 1 . 2]" 1
186 1 12 LEU MD2 1 99 TRP HE1 3.400 . 3.400 2.040 1.844 2.294 . 0 0 "[ . 1 . 2]" 1
187 1 12 LEU MD2 1 99 TRP HZ2 5.400 . 5.400 2.710 2.052 3.664 . 0 0 "[ . 1 . 2]" 1
188 1 12 LEU HA 1 12 LEU HG 3.600 . 3.600 2.987 2.805 3.130 . 0 0 "[ . 1 . 2]" 1
189 1 12 LEU H 1 12 LEU HG 3.600 . 3.600 2.883 2.594 3.370 . 0 0 "[ . 1 . 2]" 1
190 1 12 LEU HG 1 27 PHE H 4.800 . 4.800 3.565 3.063 4.240 . 0 0 "[ . 1 . 2]" 1
191 1 12 LEU HG 1 99 TRP HZ2 4.800 . 4.800 3.247 2.771 3.933 . 0 0 "[ . 1 . 2]" 1
192 1 12 LEU H 1 13 HIS H 4.800 . 4.800 4.503 4.450 4.529 . 0 0 "[ . 1 . 2]" 1
193 1 12 LEU H 1 25 ARG QB 5.800 . 5.800 3.763 3.481 4.008 . 0 0 "[ . 1 . 2]" 1
194 1 12 LEU H 1 26 TYR HA 3.600 . 3.600 3.549 3.204 3.745 0.145 1 0 "[ . 1 . 2]" 1
195 1 12 LEU H 1 27 PHE QB 5.800 . 5.800 3.360 2.957 4.133 . 0 0 "[ . 1 . 2]" 1
196 1 12 LEU H 1 27 PHE H 4.800 . 4.800 3.264 2.800 3.889 . 0 0 "[ . 1 . 2]" 1
197 1 13 HIS HA 1 13 HIS HD2 3.600 . 3.600 3.394 3.125 3.669 0.069 17 0 "[ . 1 . 2]" 1
198 1 13 HIS HA 1 23 ARG H 4.800 . 4.800 4.288 4.058 4.538 . 0 0 "[ . 1 . 2]" 1
199 1 13 HIS HA 1 24 PRO HA 2.400 . 2.400 2.286 2.025 2.503 0.103 6 0 "[ . 1 . 2]" 1
200 1 13 HIS HA 1 24 PRO QB 5.400 . 5.400 3.998 3.704 4.240 . 0 0 "[ . 1 . 2]" 1
201 1 13 HIS HA 1 25 ARG H 3.600 . 3.600 3.323 3.008 3.538 . 0 0 "[ . 1 . 2]" 1
202 1 13 HIS H 1 13 HIS QB 3.800 . 3.800 2.111 2.043 2.256 . 0 0 "[ . 1 . 2]" 1
203 1 13 HIS QB 1 24 PRO HA 5.400 . 5.400 4.092 3.880 4.209 . 0 0 "[ . 1 . 2]" 1
204 1 13 HIS QB 1 89 HIS HA 5.800 . 5.800 4.385 4.093 4.714 . 0 0 "[ . 1 . 2]" 1
205 1 13 HIS QB 1 89 HIS H 5.400 . 5.400 3.409 2.932 3.904 . 0 0 "[ . 1 . 2]" 1
206 1 13 HIS H 1 13 HIS HD2 3.600 . 3.600 3.373 2.752 3.646 0.046 8 0 "[ . 1 . 2]" 1
207 1 13 HIS HD2 1 24 PRO HA 3.600 . 3.600 3.242 2.707 3.644 0.044 17 0 "[ . 1 . 2]" 1
208 1 13 HIS HD2 1 24 PRO QB 5.400 . 5.400 3.121 2.587 3.903 . 0 0 "[ . 1 . 2]" 1
209 1 13 HIS HD2 1 25 ARG H 4.800 . 4.800 4.667 4.207 4.871 0.071 18 0 "[ . 1 . 2]" 1
210 1 13 HIS HD2 1 91 ASP H 4.400 . 4.400 4.287 3.706 4.518 0.118 3 0 "[ . 1 . 2]" 1
211 1 13 HIS HE1 1 23 ARG HA 4.800 . 4.800 3.853 3.298 4.790 . 0 0 "[ . 1 . 2]" 1
212 1 13 HIS HE1 1 24 PRO HA 4.800 . 4.800 4.563 3.749 4.818 0.018 10 0 "[ . 1 . 2]" 1
213 1 13 HIS HE1 1 24 PRO QB 4.600 . 4.600 3.603 2.422 3.907 . 0 0 "[ . 1 . 2]" 1
214 1 13 HIS HE1 1 24 PRO QD 4.600 . 4.600 2.560 2.157 2.828 . 0 0 "[ . 1 . 2]" 1
215 1 13 HIS HE1 1 24 PRO QG 4.600 . 4.600 3.617 3.011 3.885 . 0 0 "[ . 1 . 2]" 1
216 1 13 HIS H 1 24 PRO HA 4.800 . 4.800 4.415 4.086 4.718 . 0 0 "[ . 1 . 2]" 1
217 1 13 HIS H 1 89 HIS H 3.600 . 3.600 3.584 3.262 3.742 0.142 5 0 "[ . 1 . 2]" 1
218 1 15 ARG HA 1 16 GLY H 2.800 . 2.800 2.278 2.212 2.339 . 0 0 "[ . 1 . 2]" 1
219 1 15 ARG HA 1 21 THR H 4.400 . 4.400 4.268 3.858 4.508 0.108 15 0 "[ . 1 . 2]" 1
220 1 15 ARG HA 1 22 TRP HA 2.400 . 2.400 2.006 1.795 2.405 0.005 6 0 "[ . 1 . 2]" 1
221 1 15 ARG HA 1 22 TRP HD1 4.800 . 4.800 4.661 4.308 4.910 0.110 2 0 "[ . 1 . 2]" 1
222 1 15 ARG HA 1 23 ARG H 4.800 . 4.800 3.416 3.043 3.835 . 0 0 "[ . 1 . 2]" 1
223 1 15 ARG QB 1 16 GLY H 4.600 . 4.600 3.512 2.817 3.925 . 0 0 "[ . 1 . 2]" 1
224 1 15 ARG QG 1 16 GLY H 5.800 . 5.800 2.753 2.110 4.067 . 0 0 "[ . 1 . 2]" 1
225 1 15 ARG QG 1 22 TRP HE1 5.800 . 5.800 3.960 2.636 5.225 . 0 0 "[ . 1 . 2]" 1
226 1 16 GLY QA 1 17 GLU H 4.600 . 4.600 2.338 2.142 2.666 . 0 0 "[ . 1 . 2]" 1
227 1 16 GLY H 1 17 GLU H 4.400 . 4.400 3.637 2.173 4.606 0.206 9 0 "[ . 1 . 2]" 1
228 1 16 GLY H 1 21 THR H 4.400 . 4.400 3.535 2.544 4.334 . 0 0 "[ . 1 . 2]" 1
229 1 17 GLU HA 1 18 TYR H 4.400 . 4.400 3.078 2.310 3.603 . 0 0 "[ . 1 . 2]" 1
230 1 17 GLU QB 1 18 TYR QD 5.800 . 5.800 3.074 2.002 4.533 . 0 0 "[ . 1 . 2]" 1
231 1 17 GLU QB 1 18 TYR QE 6.200 . 6.200 3.982 2.842 5.111 . 0 0 "[ . 1 . 2]" 1
232 1 17 GLU QB 1 18 TYR H 4.600 . 4.600 2.352 1.910 3.256 . 0 0 "[ . 1 . 2]" 1
233 1 17 GLU QG 1 18 TYR QD 5.800 . 5.800 2.961 1.788 4.427 0.012 3 0 "[ . 1 . 2]" 1
234 1 17 GLU QG 1 18 TYR QE 6.200 . 6.200 3.773 2.638 4.477 . 0 0 "[ . 1 . 2]" 1
235 1 17 GLU QG 1 18 TYR H 5.400 . 5.400 2.891 1.980 4.281 . 0 0 "[ . 1 . 2]" 1
236 1 18 TYR HA 1 18 TYR QE 6.000 . 6.000 5.629 5.590 5.648 . 0 0 "[ . 1 . 2]" 1
237 1 18 TYR HA 1 19 ILE H 3.600 . 3.600 3.459 3.195 3.578 . 0 0 "[ . 1 . 2]" 1
238 1 18 TYR QB 1 19 ILE H 4.600 . 4.600 3.674 3.434 3.993 . 0 0 "[ . 1 . 2]" 1
239 1 17 GLU H 1 18 TYR QD 7.200 . 7.200 5.295 3.933 6.384 . 0 0 "[ . 1 . 2]" 1
240 1 18 TYR QD 1 19 ILE H 5.200 . 5.200 3.298 2.800 4.015 . 0 0 "[ . 1 . 2]" 1
241 1 18 TYR H 1 19 ILE H 2.800 . 2.800 2.403 1.935 2.797 . 0 0 "[ . 1 . 2]" 1
242 1 18 TYR QD 1 19 ILE HA 6.000 . 6.000 3.283 2.845 4.429 . 0 0 "[ . 1 . 2]" 1
243 1 18 TYR QE 1 19 ILE HA 7.200 . 7.200 4.186 3.676 5.276 . 0 0 "[ . 1 . 2]" 1
244 1 18 TYR QD 1 19 ILE HB 5.200 . 5.200 3.544 2.342 4.560 . 0 0 "[ . 1 . 2]" 1
245 1 18 TYR QE 1 19 ILE HB 6.800 . 6.800 3.330 2.350 4.643 . 0 0 "[ . 1 . 2]" 1
246 1 19 ILE HA 1 19 ILE HB 2.800 . 2.800 2.561 2.489 2.669 . 0 0 "[ . 1 . 2]" 1
247 1 19 ILE H 1 19 ILE HB 2.800 . 2.800 2.457 2.252 2.869 0.069 3 0 "[ . 1 . 2]" 1
248 1 19 ILE HA 1 19 ILE MD 4.600 . 4.600 3.168 2.049 3.718 . 0 0 "[ . 1 . 2]" 1
249 1 19 ILE H 1 19 ILE MD 5.800 . 5.800 4.134 3.748 4.438 . 0 0 "[ . 1 . 2]" 1
250 1 18 TYR QD 1 19 ILE QG 7.000 . 7.000 4.627 4.014 5.558 . 0 0 "[ . 1 . 2]" 1
251 1 18 TYR QE 1 19 ILE QG 7.000 . 7.000 4.442 3.917 5.565 . 0 0 "[ . 1 . 2]" 1
252 1 19 ILE HA 1 19 ILE QG 3.800 . 3.800 2.306 2.049 2.729 . 0 0 "[ . 1 . 2]" 1
253 1 19 ILE H 1 19 ILE QG 4.600 . 4.600 3.994 3.906 4.181 . 0 0 "[ . 1 . 2]" 1
254 1 19 ILE QG 1 21 THR H 5.800 . 5.800 3.846 2.969 5.252 . 0 0 "[ . 1 . 2]" 1
255 1 19 ILE H 1 19 ILE MG 3.800 . 3.800 2.199 1.944 2.456 . 0 0 "[ . 1 . 2]" 1
256 1 19 ILE MG 1 21 THR HB 3.800 . 3.800 2.458 2.098 3.171 . 0 0 "[ . 1 . 2]" 1
257 1 19 ILE MG 1 21 THR MG 5.600 . 5.600 3.592 3.268 3.778 . 0 0 "[ . 1 . 2]" 1
258 1 19 ILE MG 1 21 THR H 3.800 . 3.800 2.392 1.881 3.032 . 0 0 "[ . 1 . 2]" 1
259 1 20 LYS HA 1 21 THR H 2.800 . 2.800 2.702 2.518 2.891 0.091 13 0 "[ . 1 . 2]" 1
260 1 20 LYS QB 1 21 THR H 5.400 . 5.400 3.953 3.839 4.079 . 0 0 "[ . 1 . 2]" 1
261 1 20 LYS QG 1 21 THR H 5.400 . 5.400 4.327 3.843 4.643 . 0 0 "[ . 1 . 2]" 1
262 1 20 LYS H 1 21 THR H 3.600 . 3.600 3.296 2.776 3.797 0.197 15 0 "[ . 1 . 2]" 1
263 1 21 THR HA 1 22 TRP HD1 3.600 . 3.600 2.975 2.623 3.557 . 0 0 "[ . 1 . 2]" 1
264 1 21 THR HA 1 22 TRP HE1 4.800 . 4.800 4.694 4.332 4.861 0.061 9 0 "[ . 1 . 2]" 1
265 1 21 THR HA 1 22 TRP H 2.800 . 2.800 2.294 2.201 2.494 . 0 0 "[ . 1 . 2]" 1
266 1 21 THR H 1 21 THR HB 2.800 . 2.800 2.699 2.396 2.833 0.033 9 0 "[ . 1 . 2]" 1
267 1 21 THR HB 1 22 TRP H 3.800 . 3.800 3.888 3.324 4.076 0.276 5 0 "[ . 1 . 2]" 1
268 1 21 THR H 1 21 THR MG 4.600 . 4.600 3.884 3.760 3.951 . 0 0 "[ . 1 . 2]" 1
269 1 21 THR MG 1 22 TRP HD1 5.800 . 5.800 4.086 3.035 4.552 . 0 0 "[ . 1 . 2]" 1
270 1 21 THR MG 1 22 TRP H 3.800 . 3.800 2.383 1.983 2.784 . 0 0 "[ . 1 . 2]" 1
271 1 21 THR H 1 22 TRP H 4.800 . 4.800 4.459 4.378 4.593 . 0 0 "[ . 1 . 2]" 1
272 1 16 GLY H 1 22 TRP HA 4.400 . 4.400 3.609 2.964 4.168 . 0 0 "[ . 1 . 2]" 1
273 1 22 TRP HA 1 22 TRP HD1 4.400 . 4.400 3.876 3.650 4.193 . 0 0 "[ . 1 . 2]" 1
274 1 22 TRP HA 1 23 ARG H 2.800 . 2.800 2.220 2.202 2.269 . 0 0 "[ . 1 . 2]" 1
275 1 22 TRP QB 1 23 ARG H 5.400 . 5.400 3.361 3.169 3.718 . 0 0 "[ . 1 . 2]" 1
276 1 15 ARG QB 1 22 TRP HD1 5.800 . 5.800 4.654 3.712 5.127 . 0 0 "[ . 1 . 2]" 1
277 1 22 TRP H 1 22 TRP HD1 3.600 . 3.600 2.391 2.139 2.527 . 0 0 "[ . 1 . 2]" 1
278 1 22 TRP H 1 22 TRP HE1 4.800 . 4.800 4.791 4.406 4.942 0.142 17 0 "[ . 1 . 2]" 1
279 1 22 TRP HE1 1 68 PRO QB 4.600 . 4.600 3.936 3.603 4.214 . 0 0 "[ . 1 . 2]" 1
280 1 22 TRP HE1 1 68 PRO QG 5.400 . 5.400 2.558 2.223 2.933 . 0 0 "[ . 1 . 2]" 1
281 1 22 TRP HE1 1 69 ARG QD 5.800 . 5.800 4.299 3.142 5.256 . 0 0 "[ . 1 . 2]" 1
282 1 22 TRP H 1 23 ARG H 4.400 . 4.400 4.430 4.275 4.514 0.114 19 0 "[ . 1 . 2]" 1
283 1 22 TRP HZ2 1 68 PRO QB 4.600 . 4.600 4.209 4.087 4.316 . 0 0 "[ . 1 . 2]" 1
284 1 22 TRP HZ2 1 68 PRO QD 5.400 . 5.400 2.538 2.100 3.001 . 0 0 "[ . 1 . 2]" 1
285 1 22 TRP HZ2 1 68 PRO QG 3.800 . 3.800 2.305 2.198 2.411 . 0 0 "[ . 1 . 2]" 1
286 1 23 ARG HA 1 24 PRO QB 5.400 . 5.400 4.570 4.554 4.599 . 0 0 "[ . 1 . 2]" 1
287 1 23 ARG HA 1 24 PRO QD 3.400 . 3.400 2.004 1.968 2.110 . 0 0 "[ . 1 . 2]" 1
288 1 23 ARG HA 1 24 PRO QG 4.600 . 4.600 3.914 3.870 4.025 . 0 0 "[ . 1 . 2]" 1
289 1 24 PRO HA 1 25 ARG H 2.400 . 2.400 2.212 2.181 2.246 . 0 0 "[ . 1 . 2]" 1
290 1 11 TRP HE3 1 24 PRO QB 5.800 . 5.800 2.582 2.118 3.268 . 0 0 "[ . 1 . 2]" 1
291 1 24 PRO QB 1 25 ARG H 4.600 . 4.600 3.297 3.088 3.535 . 0 0 "[ . 1 . 2]" 1
292 1 23 ARG H 1 24 PRO QD 5.800 . 5.800 4.381 4.335 4.417 . 0 0 "[ . 1 . 2]" 1
293 1 25 ARG HA 1 26 TYR H 2.800 . 2.800 2.287 2.260 2.312 . 0 0 "[ . 1 . 2]" 1
294 1 25 ARG HA 1 39 LYS HA 3.600 . 3.600 3.518 3.196 3.692 0.092 4 0 "[ . 1 . 2]" 1
295 1 25 ARG QG 1 26 TYR H 5.400 . 5.400 3.660 2.943 4.550 . 0 0 "[ . 1 . 2]" 1
296 1 25 ARG H 1 26 TYR H 4.800 . 4.800 4.404 4.376 4.461 . 0 0 "[ . 1 . 2]" 1
297 1 26 TYR HA 1 27 PHE H 2.400 . 2.400 2.234 2.202 2.277 . 0 0 "[ . 1 . 2]" 1
298 1 26 TYR HA 1 38 TYR H 4.800 . 4.800 4.578 4.373 4.715 . 0 0 "[ . 1 . 2]" 1
299 1 26 TYR QD 1 27 PHE H 5.200 . 5.200 3.050 2.346 3.884 . 0 0 "[ . 1 . 2]" 1
300 1 26 TYR H 1 27 PHE H 4.800 . 4.800 4.423 4.308 4.652 . 0 0 "[ . 1 . 2]" 1
301 1 26 TYR H 1 38 TYR H 3.600 . 3.600 3.500 3.203 3.706 0.106 11 0 "[ . 1 . 2]" 1
302 1 26 TYR H 1 39 LYS HA 4.800 . 4.800 4.268 4.010 4.784 . 0 0 "[ . 1 . 2]" 1
303 1 26 TYR H 1 40 GLU H 4.800 . 4.800 4.464 3.837 4.834 0.034 12 0 "[ . 1 . 2]" 1
304 1 27 PHE HA 1 28 LEU H 2.400 . 2.400 2.255 2.200 2.416 0.016 19 0 "[ . 1 . 2]" 1
305 1 27 PHE HA 1 38 TYR H 3.600 . 3.600 3.144 2.705 3.607 0.007 3 0 "[ . 1 . 2]" 1
306 1 27 PHE QB 1 28 LEU H 4.600 . 4.600 3.177 2.838 3.381 . 0 0 "[ . 1 . 2]" 1
307 1 26 TYR H 1 27 PHE QD 7.200 . 7.200 4.483 4.019 6.039 . 0 0 "[ . 1 . 2]" 1
308 1 27 PHE QD 1 28 LEU H 5.400 . 5.400 3.622 2.700 4.182 . 0 0 "[ . 1 . 2]" 1
309 1 27 PHE QD 1 35 PHE QD 8.800 . 8.800 2.277 1.670 2.986 0.130 18 0 "[ . 1 . 2]" 1
310 1 27 PHE QD 1 35 PHE QE 8.400 . 8.400 3.310 2.463 4.119 . 0 0 "[ . 1 . 2]" 1
311 1 27 PHE QD 1 36 ILE HA 6.800 . 6.800 4.970 3.796 6.234 . 0 0 "[ . 1 . 2]" 1
312 1 27 PHE QD 1 38 TYR H 6.000 . 6.000 4.026 3.261 5.338 . 0 0 "[ . 1 . 2]" 1
313 1 27 PHE QE 1 28 LEU H 6.800 . 6.800 5.393 4.574 5.736 . 0 0 "[ . 1 . 2]" 1
314 1 28 LEU HA 1 29 LEU H 2.400 . 2.400 2.222 2.192 2.259 . 0 0 "[ . 1 . 2]" 1
315 1 9 GLU HA 1 28 LEU QD 6.000 . 6.000 3.421 1.884 4.459 . 0 0 "[ . 1 . 2]" 1
316 1 27 PHE HA 1 28 LEU QD 6.000 . 6.000 3.242 2.722 4.073 . 0 0 "[ . 1 . 2]" 1
317 1 28 LEU QD 1 36 ILE H 6.800 . 6.800 3.892 2.041 4.793 . 0 0 "[ . 1 . 2]" 1
318 1 27 PHE H 1 28 LEU H 4.800 . 4.800 4.545 4.464 4.603 . 0 0 "[ . 1 . 2]" 1
319 1 28 LEU H 1 28 LEU QB 3.400 . 3.400 2.614 2.279 3.088 . 0 0 "[ . 1 . 2]" 1
320 1 28 LEU H 1 29 LEU H 4.400 . 4.400 4.346 4.202 4.432 0.032 4 0 "[ . 1 . 2]" 1
321 1 28 LEU H 1 38 TYR H 4.800 . 4.800 4.805 4.474 5.003 0.203 5 0 "[ . 1 . 2]" 1
322 1 29 LEU HA 1 30 LYS H 2.400 . 2.400 2.227 2.198 2.268 . 0 0 "[ . 1 . 2]" 1
323 1 29 LEU HA 1 35 PHE HA 2.400 . 2.400 2.280 2.053 2.484 0.084 4 0 "[ . 1 . 2]" 1
324 1 29 LEU HA 1 35 PHE QD 6.000 . 6.000 3.600 3.319 3.993 . 0 0 "[ . 1 . 2]" 1
325 1 8 LYS H 1 29 LEU QB 5.400 . 5.400 2.575 2.092 3.247 . 0 0 "[ . 1 . 2]" 1
326 1 29 LEU QB 1 30 LYS H 5.800 . 5.800 3.767 3.551 3.855 . 0 0 "[ . 1 . 2]" 1
327 1 29 LEU QD 1 30 LYS H 6.800 . 6.800 2.694 2.079 3.124 . 0 0 "[ . 1 . 2]" 1
328 1 29 LEU QD 1 35 PHE HA 6.800 . 6.800 3.321 2.458 4.287 . 0 0 "[ . 1 . 2]" 1
329 1 29 LEU QD 1 35 PHE QD 7.600 . 7.600 2.575 1.945 3.100 . 0 0 "[ . 1 . 2]" 1
330 1 29 LEU QD 1 35 PHE QE 8.400 . 8.400 2.885 2.301 4.021 . 0 0 "[ . 1 . 2]" 1
331 1 29 LEU H 1 30 LYS H 4.800 . 4.800 4.513 4.465 4.564 . 0 0 "[ . 1 . 2]" 1
332 1 29 LEU H 1 99 TRP HZ3 4.800 . 4.800 3.573 2.878 4.549 . 0 0 "[ . 1 . 2]" 1
333 1 30 LYS HA 1 31 SER H 2.800 . 2.800 2.505 2.403 2.564 . 0 0 "[ . 1 . 2]" 1
334 1 30 LYS HA 1 32 ASP H 4.400 . 4.400 4.097 4.004 4.182 . 0 0 "[ . 1 . 2]" 1
335 1 30 LYS H 1 30 LYS QB 3.800 . 3.800 2.227 2.045 2.433 . 0 0 "[ . 1 . 2]" 1
336 1 30 LYS QB 1 31 SER H 4.600 . 4.600 2.380 2.251 2.571 . 0 0 "[ . 1 . 2]" 1
337 1 30 LYS QB 1 32 ASP H 5.400 . 5.400 2.363 2.098 2.536 . 0 0 "[ . 1 . 2]" 1
338 1 30 LYS QB 1 33 GLY H 5.800 . 5.800 3.708 3.339 4.059 . 0 0 "[ . 1 . 2]" 1
339 1 30 LYS QB 1 34 SER H 5.800 . 5.800 3.114 2.606 3.832 . 0 0 "[ . 1 . 2]" 1
340 1 30 LYS HA 1 30 LYS QG 3.400 . 3.400 2.194 1.973 2.452 . 0 0 "[ . 1 . 2]" 1
341 1 30 LYS H 1 30 LYS QG 3.800 . 3.800 2.921 2.434 3.410 . 0 0 "[ . 1 . 2]" 1
342 1 30 LYS QG 1 31 SER H 5.800 . 5.800 3.823 3.016 4.198 . 0 0 "[ . 1 . 2]" 1
343 1 30 LYS QG 1 32 ASP H 5.400 . 5.400 4.493 4.131 4.649 . 0 0 "[ . 1 . 2]" 1
344 1 30 LYS H 1 31 SER H 4.800 . 4.800 4.562 4.514 4.633 . 0 0 "[ . 1 . 2]" 1
345 1 30 LYS H 1 32 ASP H 4.400 . 4.400 4.373 3.984 4.565 0.165 9 0 "[ . 1 . 2]" 1
346 1 30 LYS H 1 33 GLY H 4.800 . 4.800 4.251 3.984 4.586 . 0 0 "[ . 1 . 2]" 1
347 1 30 LYS H 1 34 SER QB 5.800 . 5.800 4.294 3.427 4.978 . 0 0 "[ . 1 . 2]" 1
348 1 30 LYS H 1 34 SER H 4.800 . 4.800 3.058 2.806 3.393 . 0 0 "[ . 1 . 2]" 1
349 1 7 ILE MD 1 31 SER HA 4.600 . 4.600 2.503 1.935 3.138 . 0 0 "[ . 1 . 2]" 1
350 1 31 SER HA 1 32 ASP H 3.600 . 3.600 3.392 3.313 3.463 . 0 0 "[ . 1 . 2]" 1
351 1 31 SER HA 1 33 GLY H 4.400 . 4.400 3.578 3.383 3.797 . 0 0 "[ . 1 . 2]" 1
352 1 7 ILE MD 1 31 SER QB 4.800 . 4.800 2.253 1.770 2.700 0.030 19 0 "[ . 1 . 2]" 1
353 1 31 SER H 1 31 SER QB 3.800 . 3.800 2.048 1.948 2.220 . 0 0 "[ . 1 . 2]" 1
354 1 31 SER QB 1 32 ASP H 4.600 . 4.600 3.277 3.085 3.571 . 0 0 "[ . 1 . 2]" 1
355 1 31 SER QB 1 33 GLY H 5.800 . 5.800 4.699 4.592 4.825 . 0 0 "[ . 1 . 2]" 1
356 1 31 SER H 1 32 ASP H 2.800 . 2.800 2.658 2.559 2.790 . 0 0 "[ . 1 . 2]" 1
357 1 32 ASP HA 1 33 GLY H 3.600 . 3.600 3.376 3.263 3.447 . 0 0 "[ . 1 . 2]" 1
358 1 32 ASP H 1 32 ASP HB3 2.800 . 2.800 2.402 2.176 2.740 . 0 0 "[ . 1 . 2]" 1
359 1 32 ASP HB3 1 33 GLY H 3.600 . 3.600 3.397 3.148 3.658 0.058 3 0 "[ . 1 . 2]" 1
360 1 32 ASP HB3 1 34 SER H 4.400 . 4.400 3.531 3.143 3.810 . 0 0 "[ . 1 . 2]" 1
361 1 32 ASP HA 1 32 ASP HB2 2.800 . 2.800 2.496 2.389 2.652 . 0 0 "[ . 1 . 2]" 1
362 1 32 ASP H 1 32 ASP HB2 2.800 . 2.800 2.568 2.275 2.803 0.003 7 0 "[ . 1 . 2]" 1
363 1 32 ASP HB2 1 33 GLY H 4.400 . 4.400 4.270 4.065 4.403 0.003 6 0 "[ . 1 . 2]" 1
364 1 32 ASP H 1 33 GLY H 2.800 . 2.800 2.493 2.371 2.591 . 0 0 "[ . 1 . 2]" 1
365 1 32 ASP H 1 34 SER H 3.600 . 3.600 3.629 3.370 3.752 0.152 13 0 "[ . 1 . 2]" 1
366 1 33 GLY HA3 1 34 SER H 3.600 . 3.600 3.543 3.506 3.560 . 0 0 "[ . 1 . 2]" 1
367 1 33 GLY HA3 1 57 VAL H 4.800 . 4.800 4.126 3.700 4.643 . 0 0 "[ . 1 . 2]" 1
368 1 33 GLY HA3 1 110 LEU QD 7.200 . 7.200 2.159 1.724 3.122 0.076 20 0 "[ . 1 . 2]" 1
369 1 32 ASP H 1 33 GLY HA2 4.800 . 4.800 4.854 4.791 4.923 0.123 18 0 "[ . 1 . 2]" 1
370 1 33 GLY HA2 1 34 SER H 4.400 . 4.400 2.882 2.831 2.987 . 0 0 "[ . 1 . 2]" 1
371 1 33 GLY HA2 1 110 LEU QD 6.000 . 6.000 2.984 2.185 4.227 . 0 0 "[ . 1 . 2]" 1
372 1 31 SER H 1 33 GLY H 4.800 . 4.800 4.435 4.291 4.614 . 0 0 "[ . 1 . 2]" 1
373 1 33 GLY H 1 34 SER QB 5.400 . 5.400 4.385 3.752 4.826 . 0 0 "[ . 1 . 2]" 1
374 1 33 GLY H 1 34 SER H 2.400 . 2.400 2.327 2.186 2.450 0.050 3 0 "[ . 1 . 2]" 1
375 1 34 SER HA 1 35 PHE H 2.400 . 2.400 2.251 2.194 2.318 . 0 0 "[ . 1 . 2]" 1
376 1 34 SER HA 1 56 SER HA 2.400 . 2.400 2.316 1.963 2.528 0.128 4 0 "[ . 1 . 2]" 1
377 1 34 SER HA 1 57 VAL H 4.400 . 4.400 2.651 2.283 2.919 . 0 0 "[ . 1 . 2]" 1
378 1 34 SER H 1 34 SER QB 3.800 . 3.800 2.783 2.329 3.209 . 0 0 "[ . 1 . 2]" 1
379 1 34 SER QB 1 35 PHE H 4.600 . 4.600 3.302 2.845 3.820 . 0 0 "[ . 1 . 2]" 1
380 1 34 SER QB 1 56 SER HA 5.400 . 5.400 3.000 2.033 3.419 . 0 0 "[ . 1 . 2]" 1
381 1 34 SER QB 1 57 VAL H 4.600 . 4.600 3.931 3.166 4.270 . 0 0 "[ . 1 . 2]" 1
382 1 34 SER H 1 35 PHE H 4.800 . 4.800 4.378 4.214 4.487 . 0 0 "[ . 1 . 2]" 1
383 1 30 LYS H 1 35 PHE HA 3.600 . 3.600 3.430 2.874 3.712 0.112 13 0 "[ . 1 . 2]" 1
384 1 35 PHE HA 1 36 ILE H 2.400 . 2.400 2.225 2.199 2.248 . 0 0 "[ . 1 . 2]" 1
385 1 35 PHE QB 1 36 ILE H 5.400 . 5.400 3.489 3.023 3.790 . 0 0 "[ . 1 . 2]" 1
386 1 35 PHE QD 1 36 ILE H 6.000 . 6.000 3.033 2.223 4.543 . 0 0 "[ . 1 . 2]" 1
387 1 35 PHE QD 1 55 PHE QD 8.400 . 8.400 4.023 2.867 4.863 . 0 0 "[ . 1 . 2]" 1
388 1 35 PHE QE 1 55 PHE QD 7.600 . 7.600 5.027 2.784 6.456 . 0 0 "[ . 1 . 2]" 1
389 1 35 PHE QE 1 103 ILE MD 6.200 . 6.200 3.427 2.733 4.124 . 0 0 "[ . 1 . 2]" 1
390 1 35 PHE H 1 55 PHE H 3.600 . 3.600 3.356 2.778 3.763 0.163 5 0 "[ . 1 . 2]" 1
391 1 35 PHE H 1 56 SER HA 4.800 . 4.800 3.416 2.905 3.765 . 0 0 "[ . 1 . 2]" 1
392 1 35 PHE H 1 56 SER H 4.800 . 4.800 4.629 4.387 4.904 0.104 20 0 "[ . 1 . 2]" 1
393 1 35 PHE HZ 1 88 PHE HZ 4.800 . 4.800 4.694 3.963 4.943 0.143 1 0 "[ . 1 . 2]" 1
394 1 35 PHE HZ 1 103 ILE MD 6.000 . 6.000 4.591 3.443 4.871 . 0 0 "[ . 1 . 2]" 1
395 1 36 ILE HA 1 37 GLY H 2.800 . 2.800 2.217 2.179 2.290 . 0 0 "[ . 1 . 2]" 1
396 1 36 ILE HA 1 54 ASN HA 2.400 . 2.400 2.494 2.064 2.704 0.304 9 0 "[ . 1 . 2]" 1
397 1 36 ILE HA 1 55 PHE H 3.600 . 3.600 3.043 2.550 3.463 . 0 0 "[ . 1 . 2]" 1
398 1 36 ILE H 1 36 ILE HB 2.800 . 2.800 2.380 2.179 2.612 . 0 0 "[ . 1 . 2]" 1
399 1 36 ILE HB 1 37 GLY H 4.400 . 4.400 4.272 3.927 4.487 0.087 2 0 "[ . 1 . 2]" 1
400 1 36 ILE H 1 36 ILE MD 4.600 . 4.600 2.875 2.209 3.551 . 0 0 "[ . 1 . 2]" 1
401 1 36 ILE MD 1 54 ASN HA 4.600 . 4.600 2.973 2.064 3.849 . 0 0 "[ . 1 . 2]" 1
402 1 36 ILE MD 1 55 PHE H 4.600 . 4.600 3.142 2.263 3.651 . 0 0 "[ . 1 . 2]" 1
403 1 36 ILE QG 1 55 PHE H 5.800 . 5.800 4.097 2.642 5.062 . 0 0 "[ . 1 . 2]" 1
404 1 36 ILE MG 1 37 GLY H 3.800 . 3.800 2.749 2.366 3.020 . 0 0 "[ . 1 . 2]" 1
405 1 36 ILE MG 1 51 PRO QB 5.600 . 5.600 2.418 1.644 3.756 0.156 1 0 "[ . 1 . 2]" 1
406 1 36 ILE MG 1 53 ASN H 5.800 . 5.800 3.568 2.989 4.376 . 0 0 "[ . 1 . 2]" 1
407 1 36 ILE MG 1 54 ASN HA 5.400 . 5.400 3.450 2.550 4.258 . 0 0 "[ . 1 . 2]" 1
408 1 28 LEU H 1 36 ILE H 3.600 . 3.600 2.783 2.457 3.144 . 0 0 "[ . 1 . 2]" 1
409 1 36 ILE H 1 37 GLY H 4.800 . 4.800 4.474 4.396 4.585 . 0 0 "[ . 1 . 2]" 1
410 1 27 PHE HA 1 37 GLY QA 3.400 . 3.400 2.115 1.715 2.565 0.085 18 0 "[ . 1 . 2]" 1
411 1 28 LEU QD 1 37 GLY QA 8.400 . 8.400 4.101 3.318 5.241 . 0 0 "[ . 1 . 2]" 1
412 1 28 LEU H 1 37 GLY QA 4.600 . 4.600 3.599 3.345 3.861 . 0 0 "[ . 1 . 2]" 1
413 1 37 GLY QA 1 38 TYR H 3.800 . 3.800 2.155 2.137 2.174 . 0 0 "[ . 1 . 2]" 1
414 1 37 GLY H 1 53 ASN QB 5.800 . 5.800 2.613 2.080 3.473 . 0 0 "[ . 1 . 2]" 1
415 1 37 GLY H 1 53 ASN H 3.600 . 3.600 3.266 2.808 3.652 0.052 4 0 "[ . 1 . 2]" 1
416 1 37 GLY H 1 54 ASN HA 3.600 . 3.600 3.380 2.936 3.632 0.032 19 0 "[ . 1 . 2]" 1
417 1 37 GLY H 1 54 ASN H 4.800 . 4.800 4.567 4.384 4.762 . 0 0 "[ . 1 . 2]" 1
418 1 37 GLY H 1 55 PHE H 4.800 . 4.800 4.284 3.676 4.813 0.013 13 0 "[ . 1 . 2]" 1
419 1 38 TYR HA 1 38 TYR QE 6.000 . 6.000 4.341 4.155 4.488 . 0 0 "[ . 1 . 2]" 1
420 1 38 TYR HA 1 39 LYS HA 4.800 . 4.800 4.464 4.438 4.494 . 0 0 "[ . 1 . 2]" 1
421 1 38 TYR HA 1 39 LYS H 2.800 . 2.800 2.281 2.222 2.378 . 0 0 "[ . 1 . 2]" 1
422 1 38 TYR HA 1 40 GLU H 4.400 . 4.400 4.065 3.816 4.422 0.022 14 0 "[ . 1 . 2]" 1
423 1 38 TYR HA 1 52 LEU QB 4.600 . 4.600 2.381 2.031 2.677 . 0 0 "[ . 1 . 2]" 1
424 1 38 TYR HA 1 52 LEU H 4.400 . 4.400 3.091 2.084 4.553 0.153 4 0 "[ . 1 . 2]" 1
425 1 38 TYR HA 1 53 ASN H 3.600 . 3.600 3.610 3.359 3.850 0.250 12 0 "[ . 1 . 2]" 1
426 1 38 TYR QB 1 39 LYS H 4.600 . 4.600 3.272 2.862 3.602 . 0 0 "[ . 1 . 2]" 1
427 1 38 TYR QB 1 40 GLU H 3.800 . 3.800 2.901 2.396 3.139 . 0 0 "[ . 1 . 2]" 1
428 1 38 TYR H 1 38 TYR QD 5.400 . 5.400 3.570 2.842 4.236 . 0 0 "[ . 1 . 2]" 1
429 1 38 TYR QD 1 39 LYS H 6.000 . 6.000 3.099 1.846 3.903 . 0 0 "[ . 1 . 2]" 1
430 1 38 TYR QD 1 40 GLU H 5.400 . 5.400 3.019 1.910 4.442 . 0 0 "[ . 1 . 2]" 1
431 1 38 TYR QD 1 41 ARG H 7.200 . 7.200 5.756 4.619 6.541 . 0 0 "[ . 1 . 2]" 1
432 1 38 TYR QD 1 49 LEU QD 8.400 . 8.400 4.261 1.816 5.360 . 0 0 "[ . 1 . 2]" 1
433 1 38 TYR QD 1 51 PRO HA 6.000 . 6.000 3.756 2.751 4.735 . 0 0 "[ . 1 . 2]" 1
434 1 38 TYR QD 1 52 LEU H 6.800 . 6.800 3.804 3.350 4.407 . 0 0 "[ . 1 . 2]" 1
435 1 38 TYR H 1 38 TYR QE 6.800 . 6.800 5.681 5.079 6.240 . 0 0 "[ . 1 . 2]" 1
436 1 38 TYR QE 1 40 GLU H 6.800 . 6.800 5.134 3.648 6.519 . 0 0 "[ . 1 . 2]" 1
437 1 38 TYR QE 1 49 LEU QD 7.600 . 7.600 3.217 1.889 4.648 . 0 0 "[ . 1 . 2]" 1
438 1 38 TYR QE 1 51 PRO HA 4.800 . 4.800 2.834 1.974 3.575 . 0 0 "[ . 1 . 2]" 1
439 1 38 TYR QE 1 52 LEU H 7.200 . 7.200 3.911 2.155 4.657 . 0 0 "[ . 1 . 2]" 1
440 1 38 TYR H 1 39 LYS H 4.800 . 4.800 4.529 4.441 4.631 . 0 0 "[ . 1 . 2]" 1
441 1 39 LYS HA 1 40 GLU H 3.600 . 3.600 3.542 3.506 3.575 . 0 0 "[ . 1 . 2]" 1
442 1 39 LYS QB 1 40 GLU H 3.800 . 3.800 3.068 2.377 3.541 . 0 0 "[ . 1 . 2]" 1
443 1 39 LYS H 1 39 LYS QE 5.800 . 5.800 4.451 3.879 4.869 . 0 0 "[ . 1 . 2]" 1
444 1 39 LYS QE 1 40 GLU H 5.800 . 5.800 4.188 3.337 5.057 . 0 0 "[ . 1 . 2]" 1
445 1 39 LYS QG 1 40 GLU H 4.600 . 4.600 2.880 1.873 4.235 . 0 0 "[ . 1 . 2]" 1
446 1 39 LYS H 1 40 GLU H 2.800 . 2.800 2.652 2.429 2.819 0.019 18 0 "[ . 1 . 2]" 1
447 1 39 LYS H 1 52 LEU QB 5.400 . 5.400 2.674 1.894 3.248 . 0 0 "[ . 1 . 2]" 1
448 1 39 LYS H 1 52 LEU QD 6.000 . 6.000 2.556 1.868 3.187 . 0 0 "[ . 1 . 2]" 1
449 1 11 TRP HH2 1 40 GLU HA 2.800 . 2.800 2.063 1.794 2.567 0.006 11 0 "[ . 1 . 2]" 1
450 1 40 GLU HA 1 41 ARG H 2.800 . 2.800 2.696 2.229 2.936 0.136 14 0 "[ . 1 . 2]" 1
451 1 40 GLU QB 1 41 ARG H 4.600 . 4.600 2.578 1.858 3.755 . 0 0 "[ . 1 . 2]" 1
452 1 40 GLU QG 1 41 ARG H 4.600 . 4.600 2.692 1.967 3.881 . 0 0 "[ . 1 . 2]" 1
453 1 40 GLU H 1 41 ARG H 4.400 . 4.400 4.302 4.115 4.479 0.079 12 0 "[ . 1 . 2]" 1
454 1 41 ARG HA 1 42 PRO HA 4.800 . 4.800 4.607 4.407 4.778 . 0 0 "[ . 1 . 2]" 1
455 1 11 TRP HZ2 1 41 ARG QB 4.600 . 4.600 2.773 1.886 4.124 . 0 0 "[ . 1 . 2]" 1
456 1 41 ARG H 1 41 ARG QD 5.400 . 5.400 3.902 2.344 4.855 . 0 0 "[ . 1 . 2]" 1
457 1 11 TRP HZ2 1 41 ARG QG 3.800 . 3.800 2.037 1.697 2.522 0.103 14 0 "[ . 1 . 2]" 1
458 1 42 PRO HA 1 43 GLU H 2.800 . 2.800 2.295 2.205 2.391 . 0 0 "[ . 1 . 2]" 1
459 1 42 PRO HA 1 44 ALA H 4.800 . 4.800 4.183 3.747 4.498 . 0 0 "[ . 1 . 2]" 1
460 1 42 PRO QB 1 43 GLU H 4.600 . 4.600 3.059 2.776 3.449 . 0 0 "[ . 1 . 2]" 1
461 1 42 PRO QB 1 44 ALA H 5.400 . 5.400 4.177 2.511 5.197 . 0 0 "[ . 1 . 2]" 1
462 1 38 TYR QE 1 43 GLU HA 7.200 . 7.200 6.422 4.294 6.968 . 0 0 "[ . 1 . 2]" 1
463 1 43 GLU HA 1 44 ALA H 3.600 . 3.600 3.494 2.900 3.601 0.001 15 0 "[ . 1 . 2]" 1
464 1 43 GLU QB 1 44 ALA H 3.800 . 3.800 2.819 2.108 3.818 0.018 1 0 "[ . 1 . 2]" 1
465 1 43 GLU QG 1 44 ALA H 5.400 . 5.400 3.743 1.901 4.838 . 0 0 "[ . 1 . 2]" 1
466 1 43 GLU H 1 44 ALA H 2.800 . 2.800 2.244 1.952 2.677 . 0 0 "[ . 1 . 2]" 1
467 1 44 ALA HA 1 46 ASP H 4.800 . 4.800 4.404 3.689 4.667 . 0 0 "[ . 1 . 2]" 1
468 1 44 ALA MB 1 45 PRO HA 5.800 . 5.800 4.393 4.302 4.529 . 0 0 "[ . 1 . 2]" 1
469 1 44 ALA MB 1 45 PRO QD 3.800 . 3.800 2.103 1.841 2.818 . 0 0 "[ . 1 . 2]" 1
470 1 44 ALA MB 1 46 ASP H 3.800 . 3.800 2.935 2.556 3.101 . 0 0 "[ . 1 . 2]" 1
471 1 44 ALA MB 1 47 GLN QG 6.400 . 6.400 4.032 1.718 4.769 0.082 1 0 "[ . 1 . 2]" 1
472 1 44 ALA MB 1 47 GLN H 4.600 . 4.600 2.985 2.024 3.655 . 0 0 "[ . 1 . 2]" 1
473 1 44 ALA MB 1 48 THR H 5.800 . 5.800 2.912 1.875 4.611 . 0 0 "[ . 1 . 2]" 1
474 1 45 PRO HA 1 46 ASP H 3.600 . 3.600 3.577 3.501 3.607 0.007 5 0 "[ . 1 . 2]" 1
475 1 45 PRO QB 1 46 ASP H 4.600 . 4.600 3.036 2.931 3.412 . 0 0 "[ . 1 . 2]" 1
476 1 44 ALA HA 1 45 PRO QD 3.400 . 3.400 2.129 1.907 2.288 . 0 0 "[ . 1 . 2]" 1
477 1 44 ALA H 1 45 PRO QD 4.600 . 4.600 4.156 3.517 4.383 . 0 0 "[ . 1 . 2]" 1
478 1 45 PRO QD 1 46 ASP H 4.600 . 4.600 2.521 2.373 2.677 . 0 0 "[ . 1 . 2]" 1
479 1 45 PRO QD 1 49 LEU QD 8.200 . 8.200 4.535 3.564 5.315 . 0 0 "[ . 1 . 2]" 1
480 1 45 PRO QG 1 46 ASP H 5.800 . 5.800 2.230 2.075 2.791 . 0 0 "[ . 1 . 2]" 1
481 1 46 ASP HA 1 47 GLN H 3.600 . 3.600 3.348 2.587 3.600 0.000 7 0 "[ . 1 . 2]" 1
482 1 46 ASP QB 1 47 GLN H 5.400 . 5.400 2.651 1.836 4.054 . 0 0 "[ . 1 . 2]" 1
483 1 46 ASP H 1 47 GLN H 3.600 . 3.600 2.615 2.163 3.322 . 0 0 "[ . 1 . 2]" 1
484 1 47 GLN HA 1 47 GLN QE 5.800 . 5.800 3.115 1.985 4.946 . 0 0 "[ . 1 . 2]" 1
485 1 47 GLN HA 1 48 THR H 2.800 . 2.800 2.656 2.242 2.896 0.096 9 0 "[ . 1 . 2]" 1
486 1 47 GLN QB 1 48 THR H 5.400 . 5.400 3.941 3.832 4.076 . 0 0 "[ . 1 . 2]" 1
487 1 47 GLN QG 1 48 THR H 5.400 . 5.400 4.233 3.156 4.770 . 0 0 "[ . 1 . 2]" 1
488 1 47 GLN QG 1 49 LEU H 5.800 . 5.800 4.581 3.484 5.114 . 0 0 "[ . 1 . 2]" 1
489 1 47 GLN H 1 48 THR HA 4.800 . 4.800 4.430 4.128 5.241 0.441 17 0 "[ . 1 . 2]" 1
490 1 47 GLN H 1 48 THR H 4.800 . 4.800 2.739 2.173 3.638 . 0 0 "[ . 1 . 2]" 1
491 1 48 THR HA 1 49 LEU H 2.400 . 2.400 2.528 2.179 2.718 0.318 9 0 "[ . 1 . 2]" 1
492 1 48 THR HA 1 48 THR HB 2.800 . 2.800 2.491 2.413 2.533 . 0 0 "[ . 1 . 2]" 1
493 1 48 THR H 1 48 THR HB 2.800 . 2.800 2.688 2.314 2.946 0.146 10 0 "[ . 1 . 2]" 1
494 1 48 THR HB 1 49 LEU H 4.400 . 4.400 4.499 4.019 4.633 0.233 19 0 "[ . 1 . 2]" 1
495 1 47 GLN H 1 48 THR MG 5.800 . 5.800 3.945 3.094 5.055 . 0 0 "[ . 1 . 2]" 1
496 1 48 THR H 1 48 THR MG 3.800 . 3.800 2.066 1.995 2.205 . 0 0 "[ . 1 . 2]" 1
497 1 48 THR MG 1 49 LEU H 4.600 . 4.600 3.806 3.690 4.066 . 0 0 "[ . 1 . 2]" 1
498 1 48 THR H 1 49 LEU H 4.800 . 4.800 3.645 3.028 4.698 . 0 0 "[ . 1 . 2]" 1
499 1 38 TYR QD 1 49 LEU QB 6.200 . 6.200 4.572 3.112 5.335 . 0 0 "[ . 1 . 2]" 1
500 1 38 TYR QE 1 49 LEU QB 5.800 . 5.800 2.958 1.921 3.825 . 0 0 "[ . 1 . 2]" 1
501 1 47 GLN QE 1 49 LEU QB 6.400 . 6.400 4.192 2.144 5.007 . 0 0 "[ . 1 . 2]" 1
502 1 42 PRO HA 1 49 LEU QD 6.000 . 6.000 3.648 3.068 4.471 . 0 0 "[ . 1 . 2]" 1
503 1 43 GLU H 1 49 LEU QD 6.000 . 6.000 3.187 2.036 4.395 . 0 0 "[ . 1 . 2]" 1
504 1 44 ALA H 1 49 LEU QD 6.800 . 6.800 3.530 2.240 4.745 . 0 0 "[ . 1 . 2]" 1
505 1 47 GLN QE 1 49 LEU QD 6.200 . 6.200 2.773 1.953 3.665 . 0 0 "[ . 1 . 2]" 1
506 1 47 GLN QG 1 49 LEU QD 7.800 . 7.800 3.432 2.622 4.506 . 0 0 "[ . 1 . 2]" 1
507 1 48 THR H 1 49 LEU QD 7.200 . 7.200 3.758 2.569 5.325 . 0 0 "[ . 1 . 2]" 1
508 1 49 LEU HA 1 50 PRO QD 4.600 . 4.600 1.973 1.923 2.099 . 0 0 "[ . 1 . 2]" 1
509 1 49 LEU H 1 50 PRO QD 5.800 . 5.800 4.258 4.056 4.416 . 0 0 "[ . 1 . 2]" 1
510 1 49 LEU HA 1 50 PRO QG 5.400 . 5.400 3.881 3.834 4.029 . 0 0 "[ . 1 . 2]" 1
511 1 51 PRO HA 1 52 LEU H 2.800 . 2.800 2.254 2.205 2.392 . 0 0 "[ . 1 . 2]" 1
512 1 51 PRO HA 1 53 ASN H 4.400 . 4.400 4.334 3.907 4.485 0.085 4 0 "[ . 1 . 2]" 1
513 1 38 TYR QD 1 51 PRO QB 7.000 . 7.000 4.536 3.338 5.731 . 0 0 "[ . 1 . 2]" 1
514 1 38 TYR QE 1 51 PRO QB 5.800 . 5.800 3.611 2.191 4.634 . 0 0 "[ . 1 . 2]" 1
515 1 51 PRO QB 1 52 LEU H 5.400 . 5.400 3.224 2.802 3.551 . 0 0 "[ . 1 . 2]" 1
516 1 50 PRO HA 1 51 PRO QD 3.800 . 3.800 2.044 1.935 2.311 . 0 0 "[ . 1 . 2]" 1
517 1 52 LEU HA 1 53 ASN H 3.600 . 3.600 3.590 3.545 3.608 0.008 3 0 "[ . 1 . 2]" 1
518 1 52 LEU QB 1 53 ASN H 4.600 . 4.600 2.406 2.095 2.797 . 0 0 "[ . 1 . 2]" 1
519 1 40 GLU H 1 52 LEU QD 6.800 . 6.800 4.077 3.190 4.742 . 0 0 "[ . 1 . 2]" 1
520 1 52 LEU QD 1 53 ASN H 6.800 . 6.800 3.709 2.929 4.174 . 0 0 "[ . 1 . 2]" 1
521 1 52 LEU H 1 53 ASN H 3.600 . 3.600 2.503 2.209 2.941 . 0 0 "[ . 1 . 2]" 1
522 1 53 ASN HA 1 54 ASN H 2.400 . 2.400 2.242 2.216 2.285 . 0 0 "[ . 1 . 2]" 1
523 1 54 ASN HA 1 55 PHE H 2.400 . 2.400 2.221 2.185 2.253 . 0 0 "[ . 1 . 2]" 1
524 1 54 ASN QB 1 55 PHE H 4.600 . 4.600 3.593 3.099 3.930 . 0 0 "[ . 1 . 2]" 1
525 1 53 ASN QD 1 54 ASN H 5.400 . 5.400 3.673 2.448 4.497 . 0 0 "[ . 1 . 2]" 1
526 1 55 PHE HA 1 56 SER H 2.400 . 2.400 2.274 2.211 2.341 . 0 0 "[ . 1 . 2]" 1
527 1 55 PHE QB 1 56 SER H 5.400 . 5.400 3.437 2.983 3.826 . 0 0 "[ . 1 . 2]" 1
528 1 55 PHE H 1 55 PHE QD 5.400 . 5.400 3.761 2.700 4.354 . 0 0 "[ . 1 . 2]" 1
529 1 55 PHE QD 1 56 SER H 5.400 . 5.400 3.304 2.582 4.366 . 0 0 "[ . 1 . 2]" 1
530 1 54 ASN QD 1 55 PHE H 5.800 . 5.800 4.143 2.832 5.247 . 0 0 "[ . 1 . 2]" 1
531 1 55 PHE H 1 56 SER H 4.800 . 4.800 4.454 4.277 4.611 . 0 0 "[ . 1 . 2]" 1
532 1 56 SER HA 1 57 VAL H 3.600 . 3.600 2.221 2.192 2.326 . 0 0 "[ . 1 . 2]" 1
533 1 56 SER QB 1 57 VAL H 5.400 . 5.400 3.435 2.833 3.882 . 0 0 "[ . 1 . 2]" 1
534 1 57 VAL HA 1 58 ALA H 3.600 . 3.600 2.916 2.209 3.593 . 0 0 "[ . 1 . 2]" 1
535 1 57 VAL H 1 57 VAL HB 3.600 . 3.600 2.945 2.339 3.458 . 0 0 "[ . 1 . 2]" 1
536 1 57 VAL HB 1 58 ALA H 4.800 . 4.800 4.489 3.556 4.688 . 0 0 "[ . 1 . 2]" 1
537 1 57 VAL QG 1 58 ALA HA 6.000 . 6.000 3.472 3.134 3.981 . 0 0 "[ . 1 . 2]" 1
538 1 57 VAL H 1 57 VAL MG1 4.600 . 4.600 2.251 2.031 2.462 . 0 0 "[ . 1 . 2]" 1
539 1 57 VAL MG1 1 58 ALA H 5.400 . 5.400 3.490 1.867 4.108 . 0 0 "[ . 1 . 2]" 1
540 1 57 VAL MG2 1 58 ALA H 5.800 . 5.800 4.096 3.131 4.368 . 0 0 "[ . 1 . 2]" 1
541 1 57 VAL H 1 58 ALA H 3.600 . 3.600 2.739 2.272 3.804 0.204 3 0 "[ . 1 . 2]" 1
542 1 58 ALA HA 1 110 LEU QD 7.200 . 7.200 1.971 1.689 2.572 0.111 9 0 "[ . 1 . 2]" 1
543 1 58 ALA HA 1 110 LEU HG 3.600 . 3.600 3.570 2.273 3.802 0.202 12 0 "[ . 1 . 2]" 1
544 1 57 VAL H 1 58 ALA MB 5.800 . 5.800 3.936 3.462 4.847 . 0 0 "[ . 1 . 2]" 1
545 1 58 ALA MB 1 110 LEU QD 6.200 . 6.200 2.376 1.685 3.481 0.115 18 0 "[ . 1 . 2]" 1
546 1 61 GLN HA 1 62 LEU H 2.400 . 2.400 2.247 2.208 2.401 0.001 1 0 "[ . 1 . 2]" 1
547 1 61 GLN QB 1 62 LEU H 4.600 . 4.600 3.543 2.759 3.826 . 0 0 "[ . 1 . 2]" 1
548 1 61 GLN QE 1 76 ARG H 4.600 . 4.600 3.640 2.368 4.191 . 0 0 "[ . 1 . 2]" 1
549 1 61 GLN QG 1 62 LEU H 4.600 . 4.600 3.043 2.292 4.169 . 0 0 "[ . 1 . 2]" 1
550 1 62 LEU HA 1 63 MET H 2.400 . 2.400 2.289 2.220 2.388 . 0 0 "[ . 1 . 2]" 1
551 1 62 LEU HA 1 74 VAL H 4.800 . 4.800 4.780 4.312 4.922 0.122 5 0 "[ . 1 . 2]" 1
552 1 62 LEU HA 1 75 ILE HA 2.400 . 2.400 2.231 1.767 2.507 0.107 3 0 "[ . 1 . 2]" 1
553 1 62 LEU QB 1 63 MET H 4.600 . 4.600 3.252 2.737 3.768 . 0 0 "[ . 1 . 2]" 1
554 1 62 LEU QD 1 63 MET H 5.400 . 5.400 2.907 2.008 3.988 . 0 0 "[ . 1 . 2]" 1
555 1 62 LEU HA 1 62 LEU HG 4.400 . 4.400 2.876 2.092 3.552 . 0 0 "[ . 1 . 2]" 1
556 1 62 LEU H 1 63 MET H 4.800 . 4.800 4.504 4.368 4.573 . 0 0 "[ . 1 . 2]" 1
557 1 63 MET HA 1 64 LYS H 2.400 . 2.400 2.274 2.218 2.325 . 0 0 "[ . 1 . 2]" 1
558 1 62 LEU HA 1 63 MET QB 5.800 . 5.800 4.017 3.861 4.216 . 0 0 "[ . 1 . 2]" 1
559 1 63 MET H 1 63 MET QB 3.800 . 3.800 2.744 2.335 3.124 . 0 0 "[ . 1 . 2]" 1
560 1 63 MET QB 1 64 LYS H 4.600 . 4.600 3.387 2.887 3.848 . 0 0 "[ . 1 . 2]" 1
561 1 63 MET QB 1 74 VAL H 5.800 . 5.800 4.077 2.980 4.782 . 0 0 "[ . 1 . 2]" 1
562 1 63 MET QG 1 64 LYS H 4.600 . 4.600 3.077 1.943 4.021 . 0 0 "[ . 1 . 2]" 1
563 1 63 MET QG 1 65 THR MG 5.600 . 5.600 4.010 3.481 4.210 . 0 0 "[ . 1 . 2]" 1
564 1 63 MET QG 1 74 VAL HB 5.400 . 5.400 2.854 1.883 3.798 . 0 0 "[ . 1 . 2]" 1
565 1 63 MET QG 1 74 VAL MG2 6.400 . 6.400 3.811 3.127 4.580 . 0 0 "[ . 1 . 2]" 1
566 1 63 MET H 1 64 LYS H 4.800 . 4.800 4.379 4.186 4.470 . 0 0 "[ . 1 . 2]" 1
567 1 63 MET H 1 74 VAL HB 4.400 . 4.400 3.702 3.082 4.078 . 0 0 "[ . 1 . 2]" 1
568 1 63 MET H 1 74 VAL MG1 5.800 . 5.800 4.249 3.729 4.618 . 0 0 "[ . 1 . 2]" 1
569 1 63 MET H 1 74 VAL H 3.600 . 3.600 2.951 2.670 3.271 . 0 0 "[ . 1 . 2]" 1
570 1 63 MET H 1 75 ILE HA 3.600 . 3.600 3.365 3.036 3.622 0.022 3 0 "[ . 1 . 2]" 1
571 1 63 MET H 1 75 ILE HB 4.400 . 4.400 4.389 4.126 4.529 0.129 5 0 "[ . 1 . 2]" 1
572 1 64 LYS HA 1 65 THR H 2.400 . 2.400 2.303 2.231 2.376 . 0 0 "[ . 1 . 2]" 1
573 1 64 LYS HA 1 73 PHE HA 2.400 . 2.400 2.395 2.100 2.568 0.168 16 0 "[ . 1 . 2]" 1
574 1 64 LYS HA 1 73 PHE QD 6.000 . 6.000 2.969 2.134 3.865 . 0 0 "[ . 1 . 2]" 1
575 1 64 LYS HA 1 74 VAL H 3.600 . 3.600 3.340 2.970 3.698 0.098 12 0 "[ . 1 . 2]" 1
576 1 64 LYS QB 1 65 THR H 4.600 . 4.600 3.035 2.757 3.785 . 0 0 "[ . 1 . 2]" 1
577 1 64 LYS H 1 64 LYS QE 5.400 . 5.400 3.729 1.863 4.932 . 0 0 "[ . 1 . 2]" 1
578 1 64 LYS QE 1 100 MET QG 6.800 . 6.800 3.995 2.014 5.381 . 0 0 "[ . 1 . 2]" 1
579 1 64 LYS QG 1 65 THR H 5.800 . 5.800 3.834 2.559 4.134 . 0 0 "[ . 1 . 2]" 1
580 1 64 LYS H 1 65 THR H 4.800 . 4.800 4.618 4.482 4.660 . 0 0 "[ . 1 . 2]" 1
581 1 64 LYS H 1 74 VAL H 4.800 . 4.800 4.782 4.668 4.849 0.049 2 0 "[ . 1 . 2]" 1
582 1 65 THR HA 1 66 GLU HA 4.800 . 4.800 4.517 4.455 4.553 . 0 0 "[ . 1 . 2]" 1
583 1 65 THR HA 1 66 GLU H 2.800 . 2.800 2.528 2.347 2.598 . 0 0 "[ . 1 . 2]" 1
584 1 65 THR HA 1 67 ARG H 4.400 . 4.400 4.278 3.927 4.487 0.087 14 0 "[ . 1 . 2]" 1
585 1 65 THR HA 1 65 THR HB 2.800 . 2.800 2.465 2.369 2.535 . 0 0 "[ . 1 . 2]" 1
586 1 65 THR H 1 65 THR HB 3.600 . 3.600 3.251 2.961 3.463 . 0 0 "[ . 1 . 2]" 1
587 1 65 THR HB 1 66 GLU H 4.400 . 4.400 3.774 3.585 3.905 . 0 0 "[ . 1 . 2]" 1
588 1 65 THR HB 1 67 ARG H 4.400 . 4.400 4.341 4.184 4.461 0.061 11 0 "[ . 1 . 2]" 1
589 1 65 THR H 1 65 THR MG 3.800 . 3.800 2.243 2.017 2.416 . 0 0 "[ . 1 . 2]" 1
590 1 65 THR MG 1 66 GLU HA 5.800 . 5.800 3.864 3.527 4.271 . 0 0 "[ . 1 . 2]" 1
591 1 65 THR MG 1 66 GLU H 4.600 . 4.600 3.304 2.937 3.752 . 0 0 "[ . 1 . 2]" 1
592 1 65 THR MG 1 67 ARG H 4.600 . 4.600 2.572 2.152 3.235 . 0 0 "[ . 1 . 2]" 1
593 1 65 THR MG 1 72 THR HA 5.400 . 5.400 4.078 3.986 4.198 . 0 0 "[ . 1 . 2]" 1
594 1 65 THR MG 1 72 THR HB 3.800 . 3.800 1.938 1.758 2.215 0.042 20 0 "[ . 1 . 2]" 1
595 1 65 THR MG 1 72 THR MG 4.800 . 4.800 1.913 1.820 2.091 . 0 0 "[ . 1 . 2]" 1
596 1 65 THR MG 1 72 THR H 4.600 . 4.600 3.410 3.209 3.671 . 0 0 "[ . 1 . 2]" 1
597 1 65 THR MG 1 73 PHE HA 6.000 . 6.000 3.403 3.111 3.738 . 0 0 "[ . 1 . 2]" 1
598 1 65 THR MG 1 73 PHE H 4.600 . 4.600 3.831 3.725 3.950 . 0 0 "[ . 1 . 2]" 1
599 1 65 THR MG 1 74 VAL MG1 5.800 . 5.800 3.807 3.635 3.926 . 0 0 "[ . 1 . 2]" 1
600 1 65 THR MG 1 74 VAL MG2 4.600 . 4.600 1.765 1.686 1.856 0.114 14 0 "[ . 1 . 2]" 1
601 1 65 THR MG 1 74 VAL H 5.800 . 5.800 3.407 3.022 3.950 . 0 0 "[ . 1 . 2]" 1
602 1 65 THR H 1 66 GLU H 4.800 . 4.800 4.447 4.424 4.532 . 0 0 "[ . 1 . 2]" 1
603 1 65 THR H 1 72 THR MG 5.800 . 5.800 3.666 3.307 3.817 . 0 0 "[ . 1 . 2]" 1
604 1 65 THR H 1 72 THR H 3.600 . 3.600 3.074 2.906 3.426 . 0 0 "[ . 1 . 2]" 1
605 1 65 THR H 1 73 PHE HA 3.600 . 3.600 3.392 3.066 3.618 0.018 20 0 "[ . 1 . 2]" 1
606 1 65 THR H 1 74 VAL H 4.800 . 4.800 4.404 3.840 4.747 . 0 0 "[ . 1 . 2]" 1
607 1 66 GLU HA 1 67 ARG H 4.800 . 4.800 3.132 2.959 3.476 . 0 0 "[ . 1 . 2]" 1
608 1 66 GLU HA 1 70 PRO HA 2.400 . 2.400 2.090 1.795 2.393 0.005 17 0 "[ . 1 . 2]" 1
609 1 66 GLU HA 1 70 PRO QB 5.400 . 5.400 3.940 3.505 4.246 . 0 0 "[ . 1 . 2]" 1
610 1 66 GLU HA 1 71 ASN H 3.000 . 3.000 2.987 2.772 3.095 0.095 17 0 "[ . 1 . 2]" 1
611 1 66 GLU HA 1 72 THR H 4.800 . 4.800 3.358 2.909 3.814 . 0 0 "[ . 1 . 2]" 1
612 1 66 GLU QB 1 70 PRO HA 4.600 . 4.600 2.665 2.005 4.086 . 0 0 "[ . 1 . 2]" 1
613 1 66 GLU QG 1 67 ARG H 4.600 . 4.600 3.804 3.077 4.384 . 0 0 "[ . 1 . 2]" 1
614 1 66 GLU QG 1 70 PRO HA 5.400 . 5.400 3.730 1.836 4.629 . 0 0 "[ . 1 . 2]" 1
615 1 66 GLU H 1 67 ARG H 2.800 . 2.800 2.394 2.166 2.587 . 0 0 "[ . 1 . 2]" 1
616 1 67 ARG HA 1 68 PRO HA 3.600 . 3.600 2.136 2.027 2.359 . 0 0 "[ . 1 . 2]" 1
617 1 67 ARG HA 1 69 ARG H 3.600 . 3.600 3.114 2.788 3.543 . 0 0 "[ . 1 . 2]" 1
618 1 67 ARG QB 1 68 PRO HA 4.600 . 4.600 2.847 2.052 3.438 . 0 0 "[ . 1 . 2]" 1
619 1 67 ARG QG 1 68 PRO HA 3.800 . 3.800 2.524 1.711 3.612 0.089 8 0 "[ . 1 . 2]" 1
620 1 67 ARG H 1 68 PRO HA 4.800 . 4.800 4.774 4.754 4.817 0.017 4 0 "[ . 1 . 2]" 1
621 1 68 PRO HA 1 69 ARG H 3.600 . 3.600 3.517 3.425 3.575 . 0 0 "[ . 1 . 2]" 1
622 1 68 PRO QB 1 69 ARG H 4.000 . 4.000 3.388 3.144 3.624 . 0 0 "[ . 1 . 2]" 1
623 1 68 PRO QD 1 69 ARG H 3.800 . 3.800 2.639 2.514 2.773 . 0 0 "[ . 1 . 2]" 1
624 1 68 PRO QG 1 69 ARG H 5.400 . 5.400 2.702 2.348 3.109 . 0 0 "[ . 1 . 2]" 1
625 1 69 ARG HA 1 70 PRO QD 3.800 . 3.800 2.162 2.107 2.198 . 0 0 "[ . 1 . 2]" 1
626 1 70 PRO HA 1 71 ASN H 2.400 . 2.400 2.368 2.340 2.440 0.040 2 0 "[ . 1 . 2]" 1
627 1 70 PRO HA 1 72 THR H 4.800 . 4.800 4.169 3.737 4.318 . 0 0 "[ . 1 . 2]" 1
628 1 70 PRO HA 1 70 PRO HB3 2.400 . 2.400 2.310 2.307 2.313 . 0 0 "[ . 1 . 2]" 1
629 1 70 PRO HB3 1 71 ASN H 4.400 . 4.400 3.655 3.566 3.707 . 0 0 "[ . 1 . 2]" 1
630 1 70 PRO HB2 1 71 ASN H 3.600 . 3.600 2.916 2.731 3.005 . 0 0 "[ . 1 . 2]" 1
631 1 70 PRO QG 1 71 ASN H 5.800 . 5.800 4.355 4.241 4.406 . 0 0 "[ . 1 . 2]" 1
632 1 71 ASN HA 1 72 THR H 2.800 . 2.800 2.629 2.562 2.826 0.026 17 0 "[ . 1 . 2]" 1
633 1 71 ASN HA 1 96 ARG QB 5.800 . 5.800 3.780 3.319 4.145 . 0 0 "[ . 1 . 2]" 1
634 1 71 ASN QB 1 72 THR H 5.800 . 5.800 3.940 3.877 3.965 . 0 0 "[ . 1 . 2]" 1
635 1 71 ASN QB 1 93 PRO HA 5.400 . 5.400 2.991 2.185 4.088 . 0 0 "[ . 1 . 2]" 1
636 1 71 ASN H 1 72 THR HB 4.800 . 4.800 4.673 4.526 4.833 0.033 20 0 "[ . 1 . 2]" 1
637 1 71 ASN H 1 72 THR H 3.000 . 3.000 2.979 2.780 3.061 0.061 3 0 "[ . 1 . 2]" 1
638 1 72 THR HA 1 73 PHE H 2.400 . 2.400 2.344 2.275 2.395 . 0 0 "[ . 1 . 2]" 1
639 1 72 THR HA 1 89 HIS HA 2.400 . 2.400 2.233 1.900 2.489 0.089 17 0 "[ . 1 . 2]" 1
640 1 72 THR HA 1 90 VAL MG2 5.800 . 5.800 3.638 3.409 3.913 . 0 0 "[ . 1 . 2]" 1
641 1 72 THR HA 1 90 VAL H 3.600 . 3.600 3.257 3.111 3.389 . 0 0 "[ . 1 . 2]" 1
642 1 65 THR H 1 72 THR HB 4.400 . 4.400 3.382 2.911 3.819 . 0 0 "[ . 1 . 2]" 1
643 1 72 THR H 1 72 THR HB 2.800 . 2.800 2.393 2.241 2.467 . 0 0 "[ . 1 . 2]" 1
644 1 72 THR HB 1 73 PHE H 4.400 . 4.400 3.995 3.942 4.097 . 0 0 "[ . 1 . 2]" 1
645 1 72 THR HB 1 89 HIS HA 4.800 . 4.800 4.816 4.682 4.953 0.153 5 0 "[ . 1 . 2]" 1
646 1 72 THR H 1 72 THR MG 4.600 . 4.600 3.726 3.622 3.775 . 0 0 "[ . 1 . 2]" 1
647 1 72 THR MG 1 73 PHE H 3.800 . 3.800 2.073 1.963 2.204 . 0 0 "[ . 1 . 2]" 1
648 1 72 THR MG 1 74 VAL MG2 5.400 . 5.400 2.340 2.099 2.697 . 0 0 "[ . 1 . 2]" 1
649 1 72 THR MG 1 89 HIS HA 4.600 . 4.600 2.987 2.809 3.166 . 0 0 "[ . 1 . 2]" 1
650 1 72 THR MG 1 89 HIS H 5.400 . 5.400 4.283 4.204 4.351 . 0 0 "[ . 1 . 2]" 1
651 1 72 THR H 1 73 PHE H 4.800 . 4.800 4.533 4.511 4.576 . 0 0 "[ . 1 . 2]" 1
652 1 73 PHE HA 1 74 VAL H 2.400 . 2.400 2.230 2.207 2.297 . 0 0 "[ . 1 . 2]" 1
653 1 73 PHE QB 1 74 VAL H 4.600 . 4.600 3.388 3.062 3.511 . 0 0 "[ . 1 . 2]" 1
654 1 73 PHE QB 1 88 PHE QD 6.000 . 6.000 2.631 1.948 3.189 . 0 0 "[ . 1 . 2]" 1
655 1 73 PHE QB 1 88 PHE QE 6.800 . 6.800 2.379 2.253 2.985 . 0 0 "[ . 1 . 2]" 1
656 1 65 THR H 1 73 PHE QD 6.000 . 6.000 4.412 3.395 5.240 . 0 0 "[ . 1 . 2]" 1
657 1 72 THR H 1 73 PHE QD 6.800 . 6.800 5.147 4.210 6.171 . 0 0 "[ . 1 . 2]" 1
658 1 73 PHE QD 1 74 VAL H 5.400 . 5.400 3.304 2.104 4.239 . 0 0 "[ . 1 . 2]" 1
659 1 73 PHE QD 1 88 PHE QE 8.400 . 8.400 2.736 1.860 3.302 . 0 0 "[ . 1 . 2]" 1
660 1 73 PHE QD 1 90 VAL H 6.800 . 6.800 5.297 4.558 6.170 . 0 0 "[ . 1 . 2]" 1
661 1 73 PHE QD 1 100 MET HA 6.000 . 6.000 5.415 4.917 5.789 . 0 0 "[ . 1 . 2]" 1
662 1 73 PHE QD 1 103 ILE MD 7.000 . 7.000 3.677 2.820 4.488 . 0 0 "[ . 1 . 2]" 1
663 1 73 PHE QE 1 96 ARG HA 6.800 . 6.800 2.882 1.735 4.196 0.065 3 0 "[ . 1 . 2]" 1
664 1 73 PHE QE 1 96 ARG QG 7.000 . 7.000 2.149 1.722 2.592 0.078 10 0 "[ . 1 . 2]" 1
665 1 73 PHE QE 1 100 MET HA 6.000 . 6.000 3.503 2.640 4.099 . 0 0 "[ . 1 . 2]" 1
666 1 73 PHE QE 1 100 MET H 6.800 . 6.800 3.314 2.894 3.758 . 0 0 "[ . 1 . 2]" 1
667 1 73 PHE QE 1 103 ILE MD 6.200 . 6.200 2.977 1.986 3.735 . 0 0 "[ . 1 . 2]" 1
668 1 73 PHE H 1 74 VAL MG2 5.800 . 5.800 3.907 3.601 4.193 . 0 0 "[ . 1 . 2]" 1
669 1 73 PHE H 1 74 VAL H 4.800 . 4.800 4.422 4.326 4.520 . 0 0 "[ . 1 . 2]" 1
670 1 73 PHE H 1 88 PHE QD 6.800 . 6.800 4.193 3.976 4.332 . 0 0 "[ . 1 . 2]" 1
671 1 73 PHE H 1 88 PHE H 3.600 . 3.600 3.151 2.921 3.649 0.049 17 0 "[ . 1 . 2]" 1
672 1 73 PHE H 1 89 HIS HA 3.600 . 3.600 3.079 2.859 3.235 . 0 0 "[ . 1 . 2]" 1
673 1 73 PHE H 1 89 HIS HD2 4.800 . 4.800 3.422 3.015 4.609 . 0 0 "[ . 1 . 2]" 1
674 1 73 PHE H 1 90 VAL H 4.800 . 4.800 4.696 4.403 4.858 0.058 2 0 "[ . 1 . 2]" 1
675 1 73 PHE HZ 1 96 ARG HA 4.400 . 4.400 4.391 3.960 4.496 0.096 13 0 "[ . 1 . 2]" 1
676 1 73 PHE HZ 1 96 ARG QB 5.800 . 5.800 5.058 4.910 5.234 . 0 0 "[ . 1 . 2]" 1
677 1 73 PHE HZ 1 96 ARG QG 3.800 . 3.800 3.142 2.882 3.497 . 0 0 "[ . 1 . 2]" 1
678 1 73 PHE HZ 1 100 MET HA 4.800 . 4.800 3.224 2.969 3.453 . 0 0 "[ . 1 . 2]" 1
679 1 73 PHE HZ 1 103 ILE MD 4.600 . 4.600 3.767 3.367 3.890 . 0 0 "[ . 1 . 2]" 1
680 1 74 VAL HA 1 75 ILE H 2.400 . 2.400 2.237 2.205 2.289 . 0 0 "[ . 1 . 2]" 1
681 1 74 VAL HA 1 88 PHE H 3.600 . 3.600 3.431 2.932 3.642 0.042 20 0 "[ . 1 . 2]" 1
682 1 74 VAL HB 1 75 ILE H 4.400 . 4.400 4.239 4.001 4.411 0.011 16 0 "[ . 1 . 2]" 1
683 1 74 VAL MG1 1 75 ILE H 4.600 . 4.600 2.655 2.432 2.881 . 0 0 "[ . 1 . 2]" 1
684 1 74 VAL MG2 1 75 ILE H 5.800 . 5.800 4.028 3.677 4.202 . 0 0 "[ . 1 . 2]" 1
685 1 74 VAL MG2 1 88 PHE H 5.400 . 5.400 3.669 3.138 4.023 . 0 0 "[ . 1 . 2]" 1
686 1 74 VAL H 1 74 VAL HB 2.800 . 2.800 2.512 2.344 2.674 . 0 0 "[ . 1 . 2]" 1
687 1 74 VAL H 1 74 VAL MG1 4.600 . 4.600 3.798 3.623 3.889 . 0 0 "[ . 1 . 2]" 1
688 1 74 VAL H 1 74 VAL MG2 3.800 . 3.800 2.785 2.395 3.137 . 0 0 "[ . 1 . 2]" 1
689 1 74 VAL H 1 75 ILE H 4.800 . 4.800 4.405 4.233 4.495 . 0 0 "[ . 1 . 2]" 1
690 1 75 ILE HA 1 75 ILE HB 2.800 . 2.800 2.457 2.392 2.558 . 0 0 "[ . 1 . 2]" 1
691 1 75 ILE H 1 75 ILE HB 3.600 . 3.600 3.066 2.754 3.289 . 0 0 "[ . 1 . 2]" 1
692 1 75 ILE H 1 75 ILE MD 5.800 . 5.800 4.552 4.411 4.690 . 0 0 "[ . 1 . 2]" 1
693 1 75 ILE HA 1 75 ILE QG 3.800 . 3.800 2.364 2.200 2.484 . 0 0 "[ . 1 . 2]" 1
694 1 75 ILE H 1 75 ILE QG 4.600 . 4.600 4.008 3.928 4.087 . 0 0 "[ . 1 . 2]" 1
695 1 75 ILE H 1 75 ILE MG 3.800 . 3.800 1.988 1.811 2.108 . 0 0 "[ . 1 . 2]" 1
696 1 87 THR HA 1 88 PHE H 2.400 . 2.400 2.243 2.206 2.287 . 0 0 "[ . 1 . 2]" 1
697 1 87 THR HB 1 88 PHE H 4.400 . 4.400 3.901 3.210 4.306 . 0 0 "[ . 1 . 2]" 1
698 1 87 THR MG 1 88 PHE H 4.600 . 4.600 3.351 2.485 3.952 . 0 0 "[ . 1 . 2]" 1
699 1 22 TRP HZ3 1 88 PHE HA 4.800 . 4.800 2.130 1.732 4.095 0.068 5 0 "[ . 1 . 2]" 1
700 1 88 PHE HA 1 89 HIS H 2.400 . 2.400 2.279 2.208 2.402 0.002 20 0 "[ . 1 . 2]" 1
701 1 88 PHE QD 1 89 HIS H 6.800 . 6.800 2.675 2.172 2.854 . 0 0 "[ . 1 . 2]" 1
702 1 88 PHE QD 1 90 VAL H 6.800 . 6.800 4.571 4.219 4.979 . 0 0 "[ . 1 . 2]" 1
703 1 88 PHE QE 1 99 TRP HD1 6.000 . 6.000 3.973 3.481 4.397 . 0 0 "[ . 1 . 2]" 1
704 1 88 PHE H 1 89 HIS HD2 3.600 . 3.600 3.577 3.036 3.732 0.132 19 0 "[ . 1 . 2]" 1
705 1 88 PHE HZ 1 99 TRP HD1 3.600 . 3.600 3.343 2.758 3.701 0.101 1 0 "[ . 1 . 2]" 1
706 1 89 HIS HA 1 90 VAL H 2.400 . 2.400 2.350 2.310 2.378 . 0 0 "[ . 1 . 2]" 1
707 1 72 THR HA 1 89 HIS QB 4.600 . 4.600 3.974 3.623 4.122 . 0 0 "[ . 1 . 2]" 1
708 1 89 HIS QB 1 90 VAL H 5.800 . 5.800 2.802 2.693 2.876 . 0 0 "[ . 1 . 2]" 1
709 1 22 TRP HZ3 1 89 HIS HD2 4.400 . 4.400 3.082 2.354 3.606 . 0 0 "[ . 1 . 2]" 1
710 1 89 HIS H 1 89 HIS HD2 4.800 . 4.800 3.016 2.797 3.203 . 0 0 "[ . 1 . 2]" 1
711 1 13 HIS H 1 90 VAL HA 4.400 . 4.400 3.027 2.905 3.252 . 0 0 "[ . 1 . 2]" 1
712 1 90 VAL HA 1 91 ASP H 2.800 . 2.800 2.379 2.319 2.426 . 0 0 "[ . 1 . 2]" 1
713 1 90 VAL HA 1 92 SER H 4.400 . 4.400 4.163 3.948 4.362 . 0 0 "[ . 1 . 2]" 1
714 1 90 VAL HA 1 95 GLU QB 5.400 . 5.400 4.218 3.960 4.654 . 0 0 "[ . 1 . 2]" 1
715 1 90 VAL HB 1 91 ASP H 2.800 . 2.800 2.744 2.617 2.837 0.037 10 0 "[ . 1 . 2]" 1
716 1 90 VAL HB 1 92 SER H 2.800 . 2.800 2.769 2.636 2.907 0.107 1 0 "[ . 1 . 2]" 1
717 1 90 VAL HB 1 95 GLU QB 3.800 . 3.800 2.208 1.858 2.772 . 0 0 "[ . 1 . 2]" 1
718 1 90 VAL HB 1 95 GLU QG 5.400 . 5.400 3.796 3.013 4.578 . 0 0 "[ . 1 . 2]" 1
719 1 90 VAL HB 1 95 GLU H 4.800 . 4.800 4.685 4.322 4.869 0.069 4 0 "[ . 1 . 2]" 1
720 1 90 VAL HB 1 96 ARG H 4.800 . 4.800 3.339 2.967 3.622 . 0 0 "[ . 1 . 2]" 1
721 1 90 VAL HB 1 99 TRP HD1 4.400 . 4.400 3.498 3.160 4.251 . 0 0 "[ . 1 . 2]" 1
722 1 90 VAL HB 1 99 TRP HE1 3.600 . 3.600 3.025 2.608 3.569 . 0 0 "[ . 1 . 2]" 1
723 1 13 HIS H 1 90 VAL MG1 5.400 . 5.400 4.479 4.236 4.610 . 0 0 "[ . 1 . 2]" 1
724 1 88 PHE QD 1 90 VAL MG1 7.000 . 7.000 3.505 3.254 3.742 . 0 0 "[ . 1 . 2]" 1
725 1 88 PHE QE 1 90 VAL MG1 6.200 . 6.200 1.953 1.733 2.276 0.067 15 0 "[ . 1 . 2]" 1
726 1 90 VAL HA 1 90 VAL MG1 3.400 . 3.400 2.394 2.363 2.432 . 0 0 "[ . 1 . 2]" 1
727 1 90 VAL MG1 1 91 ASP H 4.600 . 4.600 3.843 3.778 3.919 . 0 0 "[ . 1 . 2]" 1
728 1 90 VAL MG1 1 92 SER H 5.400 . 5.400 4.373 4.218 4.486 . 0 0 "[ . 1 . 2]" 1
729 1 90 VAL MG1 1 96 ARG H 5.400 . 5.400 3.402 2.945 3.658 . 0 0 "[ . 1 . 2]" 1
730 1 90 VAL MG1 1 99 TRP HD1 3.800 . 3.800 2.066 1.875 2.248 . 0 0 "[ . 1 . 2]" 1
731 1 90 VAL MG1 1 99 TRP HE1 4.600 . 4.600 2.554 2.025 3.124 . 0 0 "[ . 1 . 2]" 1
732 1 90 VAL MG1 1 99 TRP H 5.800 . 5.800 4.724 4.592 4.812 . 0 0 "[ . 1 . 2]" 1
733 1 71 ASN QB 1 90 VAL MG2 6.400 . 6.400 2.235 1.844 2.859 . 0 0 "[ . 1 . 2]" 1
734 1 89 HIS HA 1 90 VAL MG2 5.800 . 5.800 3.785 3.653 3.895 . 0 0 "[ . 1 . 2]" 1
735 1 90 VAL MG2 1 91 ASP H 4.600 . 4.600 3.667 3.569 3.766 . 0 0 "[ . 1 . 2]" 1
736 1 90 VAL MG2 1 92 SER H 3.800 . 3.800 2.923 2.500 3.148 . 0 0 "[ . 1 . 2]" 1
737 1 90 VAL MG2 1 95 GLU QB 5.400 . 5.400 3.079 2.695 3.433 . 0 0 "[ . 1 . 2]" 1
738 1 90 VAL MG2 1 95 GLU H 5.400 . 5.400 4.202 3.988 4.376 . 0 0 "[ . 1 . 2]" 1
739 1 90 VAL MG2 1 96 ARG HA 5.400 . 5.400 3.244 2.985 3.519 . 0 0 "[ . 1 . 2]" 1
740 1 90 VAL MG2 1 96 ARG QB 5.600 . 5.600 1.834 1.670 2.079 0.130 14 0 "[ . 1 . 2]" 1
741 1 90 VAL MG2 1 96 ARG H 4.600 . 4.600 2.501 2.264 2.680 . 0 0 "[ . 1 . 2]" 1
742 1 90 VAL MG2 1 99 TRP HD1 5.400 . 5.400 3.865 3.553 4.404 . 0 0 "[ . 1 . 2]" 1
743 1 90 VAL H 1 91 ASP H 4.800 . 4.800 4.597 4.570 4.629 . 0 0 "[ . 1 . 2]" 1
744 1 91 ASP HA 1 92 SER H 3.600 . 3.600 3.497 3.056 3.572 . 0 0 "[ . 1 . 2]" 1
745 1 91 ASP QB 1 92 SER H 4.600 . 4.600 3.013 2.639 3.717 . 0 0 "[ . 1 . 2]" 1
746 1 91 ASP H 1 92 SER H 2.800 . 2.800 2.594 2.424 2.738 . 0 0 "[ . 1 . 2]" 1
747 1 92 SER HA 1 93 PRO HA 4.800 . 4.800 4.412 4.398 4.426 . 0 0 "[ . 1 . 2]" 1
748 1 92 SER HA 1 93 PRO QG 4.600 . 4.600 4.062 3.956 4.188 . 0 0 "[ . 1 . 2]" 1
749 1 92 SER HA 1 94 ASP H 4.800 . 4.800 4.271 3.975 4.460 . 0 0 "[ . 1 . 2]" 1
750 1 92 SER QB 1 94 ASP H 5.400 . 5.400 2.995 2.456 4.117 . 0 0 "[ . 1 . 2]" 1
751 1 92 SER QB 1 95 GLU H 5.400 . 5.400 2.671 2.217 3.576 . 0 0 "[ . 1 . 2]" 1
752 1 92 SER H 1 93 PRO QD 5.400 . 5.400 4.378 4.246 4.411 . 0 0 "[ . 1 . 2]" 1
753 1 92 SER H 1 95 GLU H 4.400 . 4.400 3.895 3.630 4.432 0.032 2 0 "[ . 1 . 2]" 1
754 1 93 PRO HA 1 94 ASP H 4.400 . 4.400 3.561 3.521 3.584 . 0 0 "[ . 1 . 2]" 1
755 1 93 PRO HA 1 95 GLU H 4.800 . 4.800 4.271 4.172 4.519 . 0 0 "[ . 1 . 2]" 1
756 1 93 PRO HA 1 96 ARG H 3.600 . 3.600 3.519 3.332 3.739 0.139 19 0 "[ . 1 . 2]" 1
757 1 93 PRO HA 1 97 GLU H 4.800 . 4.800 4.606 4.343 5.013 0.213 9 0 "[ . 1 . 2]" 1
758 1 93 PRO QB 1 94 ASP H 4.600 . 4.600 3.108 2.987 3.269 . 0 0 "[ . 1 . 2]" 1
759 1 92 SER HA 1 93 PRO QD 3.400 . 3.400 2.155 2.053 2.274 . 0 0 "[ . 1 . 2]" 1
760 1 93 PRO QD 1 94 ASP H 3.800 . 3.800 2.634 2.521 2.723 . 0 0 "[ . 1 . 2]" 1
761 1 93 PRO QD 1 95 GLU H 5.400 . 5.400 4.113 3.945 4.261 . 0 0 "[ . 1 . 2]" 1
762 1 93 PRO QG 1 94 ASP H 5.400 . 5.400 2.245 2.118 2.450 . 0 0 "[ . 1 . 2]" 1
763 1 94 ASP HA 1 95 GLU H 3.600 . 3.600 3.556 3.536 3.572 . 0 0 "[ . 1 . 2]" 1
764 1 94 ASP HA 1 96 ARG H 4.800 . 4.800 4.538 4.267 4.719 . 0 0 "[ . 1 . 2]" 1
765 1 94 ASP HA 1 97 GLU QB 5.800 . 5.800 2.833 2.375 3.292 . 0 0 "[ . 1 . 2]" 1
766 1 94 ASP HA 1 97 GLU QG 5.800 . 5.800 4.095 2.255 5.175 . 0 0 "[ . 1 . 2]" 1
767 1 94 ASP HA 1 97 GLU H 3.600 . 3.600 3.533 3.307 3.665 0.065 14 0 "[ . 1 . 2]" 1
768 1 94 ASP HA 1 98 GLU H 4.800 . 4.800 4.364 3.988 4.549 . 0 0 "[ . 1 . 2]" 1
769 1 94 ASP QB 1 95 GLU H 4.600 . 4.600 2.754 2.494 3.506 . 0 0 "[ . 1 . 2]" 1
770 1 94 ASP H 1 95 GLU H 2.800 . 2.800 2.610 2.518 2.665 . 0 0 "[ . 1 . 2]" 1
771 1 94 ASP H 1 96 ARG H 4.800 . 4.800 4.319 4.074 4.506 . 0 0 "[ . 1 . 2]" 1
772 1 95 GLU HA 1 96 ARG H 3.600 . 3.600 3.584 3.568 3.605 0.005 18 0 "[ . 1 . 2]" 1
773 1 95 GLU HA 1 97 GLU H 4.800 . 4.800 4.424 4.291 4.625 . 0 0 "[ . 1 . 2]" 1
774 1 95 GLU HA 1 98 GLU QB 4.600 . 4.600 2.511 2.185 2.750 . 0 0 "[ . 1 . 2]" 1
775 1 95 GLU HA 1 98 GLU H 3.600 . 3.600 3.349 3.187 3.489 . 0 0 "[ . 1 . 2]" 1
776 1 95 GLU HA 1 99 TRP HD1 4.400 . 4.400 4.520 4.415 4.802 0.402 19 0 "[ . 1 . 2]" 1
777 1 95 GLU HA 1 99 TRP H 4.800 . 4.800 4.108 3.893 4.271 . 0 0 "[ . 1 . 2]" 1
778 1 90 VAL MG1 1 95 GLU QB 6.800 . 6.800 3.194 2.635 3.552 . 0 0 "[ . 1 . 2]" 1
779 1 92 SER H 1 95 GLU QB 4.600 . 4.600 2.444 2.223 2.923 . 0 0 "[ . 1 . 2]" 1
780 1 95 GLU QB 1 96 ARG H 4.600 . 4.600 2.516 2.366 2.745 . 0 0 "[ . 1 . 2]" 1
781 1 95 GLU QB 1 99 TRP HE1 4.600 . 4.600 2.503 2.112 3.099 . 0 0 "[ . 1 . 2]" 1
782 1 95 GLU QG 1 99 TRP HD1 5.400 . 5.400 4.143 3.414 4.780 . 0 0 "[ . 1 . 2]" 1
783 1 95 GLU QG 1 99 TRP HE1 4.600 . 4.600 2.520 1.799 3.314 0.001 19 0 "[ . 1 . 2]" 1
784 1 95 GLU H 1 96 ARG H 2.800 . 2.800 2.734 2.625 2.849 0.049 19 0 "[ . 1 . 2]" 1
785 1 95 GLU H 1 98 GLU H 4.800 . 4.800 4.755 4.548 4.842 0.042 15 0 "[ . 1 . 2]" 1
786 1 90 VAL MG1 1 96 ARG HA 5.400 . 5.400 2.100 1.945 2.442 . 0 0 "[ . 1 . 2]" 1
787 1 96 ARG HA 1 97 GLU H 3.600 . 3.600 3.577 3.563 3.594 . 0 0 "[ . 1 . 2]" 1
788 1 96 ARG HA 1 98 GLU H 4.800 . 4.800 4.449 4.356 4.580 . 0 0 "[ . 1 . 2]" 1
789 1 96 ARG HA 1 99 TRP HD1 2.800 . 2.800 1.848 1.719 2.048 0.081 11 0 "[ . 1 . 2]" 1
790 1 96 ARG HA 1 99 TRP HE1 4.800 . 4.800 4.140 4.015 4.278 . 0 0 "[ . 1 . 2]" 1
791 1 96 ARG HA 1 99 TRP H 3.600 . 3.600 3.554 3.422 3.710 0.110 1 0 "[ . 1 . 2]" 1
792 1 96 ARG HA 1 100 MET H 4.800 . 4.800 4.297 4.202 4.460 . 0 0 "[ . 1 . 2]" 1
793 1 96 ARG QB 1 97 GLU H 4.600 . 4.600 2.511 2.335 2.805 . 0 0 "[ . 1 . 2]" 1
794 1 96 ARG QB 1 99 TRP HE1 5.800 . 5.800 5.191 5.102 5.303 . 0 0 "[ . 1 . 2]" 1
795 1 96 ARG QG 1 97 GLU H 5.800 . 5.800 3.659 2.567 4.104 . 0 0 "[ . 1 . 2]" 1
796 1 96 ARG H 1 97 GLU H 2.800 . 2.800 2.819 2.730 2.875 0.075 14 0 "[ . 1 . 2]" 1
797 1 96 ARG H 1 99 TRP HD1 4.800 . 4.800 3.678 3.535 4.100 . 0 0 "[ . 1 . 2]" 1
798 1 97 GLU HA 1 98 GLU H 3.600 . 3.600 3.564 3.545 3.578 . 0 0 "[ . 1 . 2]" 1
799 1 97 GLU HA 1 99 TRP H 4.800 . 4.800 4.473 4.381 4.590 . 0 0 "[ . 1 . 2]" 1
800 1 97 GLU HA 1 100 MET QB 4.600 . 4.600 2.898 2.747 3.020 . 0 0 "[ . 1 . 2]" 1
801 1 97 GLU HA 1 100 MET H 3.600 . 3.600 3.635 3.484 3.730 0.130 16 0 "[ . 1 . 2]" 1
802 1 97 GLU HA 1 101 ARG H 4.800 . 4.800 4.325 3.910 4.497 . 0 0 "[ . 1 . 2]" 1
803 1 97 GLU QB 1 98 GLU H 4.600 . 4.600 2.612 2.399 2.788 . 0 0 "[ . 1 . 2]" 1
804 1 97 GLU H 1 98 GLU H 2.800 . 2.800 2.642 2.564 2.739 . 0 0 "[ . 1 . 2]" 1
805 1 98 GLU HA 1 99 TRP H 3.600 . 3.600 3.575 3.559 3.587 . 0 0 "[ . 1 . 2]" 1
806 1 98 GLU HA 1 100 MET H 4.800 . 4.800 4.581 4.429 4.773 . 0 0 "[ . 1 . 2]" 1
807 1 98 GLU HA 1 101 ARG QB 4.600 . 4.600 2.779 2.487 2.982 . 0 0 "[ . 1 . 2]" 1
808 1 98 GLU HA 1 101 ARG H 3.600 . 3.600 3.573 3.453 3.690 0.090 2 0 "[ . 1 . 2]" 1
809 1 98 GLU HA 1 102 ALA H 4.800 . 4.800 4.137 3.877 4.431 . 0 0 "[ . 1 . 2]" 1
810 1 98 GLU QB 1 99 TRP H 4.600 . 4.600 2.534 2.465 2.680 . 0 0 "[ . 1 . 2]" 1
811 1 98 GLU QG 1 99 TRP H 4.600 . 4.600 3.944 3.551 4.403 . 0 0 "[ . 1 . 2]" 1
812 1 98 GLU H 1 99 TRP HD1 4.800 . 4.800 4.855 4.729 5.032 0.232 19 0 "[ . 1 . 2]" 1
813 1 98 GLU H 1 99 TRP H 2.800 . 2.800 2.663 2.587 2.772 . 0 0 "[ . 1 . 2]" 1
814 1 99 TRP HA 1 100 MET H 3.600 . 3.600 3.583 3.572 3.597 . 0 0 "[ . 1 . 2]" 1
815 1 99 TRP HA 1 101 ARG H 4.800 . 4.800 4.564 4.353 4.733 . 0 0 "[ . 1 . 2]" 1
816 1 99 TRP HA 1 102 ALA MB 4.600 . 4.600 2.573 2.218 2.883 . 0 0 "[ . 1 . 2]" 1
817 1 99 TRP HA 1 102 ALA H 3.600 . 3.600 3.508 3.373 3.643 0.043 6 0 "[ . 1 . 2]" 1
818 1 99 TRP HA 1 103 ILE H 4.800 . 4.800 4.021 3.707 4.327 . 0 0 "[ . 1 . 2]" 1
819 1 88 PHE HZ 1 99 TRP QB 5.800 . 5.800 3.193 2.698 3.443 . 0 0 "[ . 1 . 2]" 1
820 1 99 TRP H 1 99 TRP QB 3.800 . 3.800 2.347 2.251 2.419 . 0 0 "[ . 1 . 2]" 1
821 1 99 TRP QB 1 100 MET H 4.600 . 4.600 2.391 2.279 2.481 . 0 0 "[ . 1 . 2]" 1
822 1 99 TRP QB 1 103 ILE H 5.800 . 5.800 4.683 4.502 4.850 . 0 0 "[ . 1 . 2]" 1
823 1 90 VAL QG 1 99 TRP HD1 7.200 . 7.200 2.058 1.870 2.241 . 0 0 "[ . 1 . 2]" 1
824 1 99 TRP H 1 99 TRP HD1 3.600 . 3.600 3.239 3.163 3.413 . 0 0 "[ . 1 . 2]" 1
825 1 99 TRP HD1 1 100 MET H 4.800 . 4.800 4.662 4.430 4.813 0.013 14 0 "[ . 1 . 2]" 1
826 1 99 TRP H 1 100 MET H 2.800 . 2.800 2.753 2.672 2.805 0.005 16 0 "[ . 1 . 2]" 1
827 1 11 TRP H 1 99 TRP HZ2 4.400 . 4.400 3.747 3.427 4.466 0.066 3 0 "[ . 1 . 2]" 1
828 1 100 MET HA 1 101 ARG H 3.600 . 3.600 3.580 3.555 3.593 . 0 0 "[ . 1 . 2]" 1
829 1 100 MET HA 1 102 ALA H 4.800 . 4.800 4.547 4.453 4.667 . 0 0 "[ . 1 . 2]" 1
830 1 100 MET HA 1 103 ILE H 4.800 . 4.800 3.608 3.479 3.691 . 0 0 "[ . 1 . 2]" 1
831 1 100 MET HA 1 104 GLN H 4.800 . 4.800 4.241 3.893 4.430 . 0 0 "[ . 1 . 2]" 1
832 1 100 MET QB 1 101 ARG H 4.600 . 4.600 2.414 2.283 2.571 . 0 0 "[ . 1 . 2]" 1
833 1 100 MET QG 1 101 ARG H 5.400 . 5.400 4.086 3.588 4.440 . 0 0 "[ . 1 . 2]" 1
834 1 100 MET H 1 101 ARG H 2.800 . 2.800 2.793 2.697 2.868 0.068 17 0 "[ . 1 . 2]" 1
835 1 100 MET H 1 102 ALA H 4.800 . 4.800 4.216 4.034 4.377 . 0 0 "[ . 1 . 2]" 1
836 1 100 MET H 1 103 ILE MD 5.800 . 5.800 3.698 3.545 3.844 . 0 0 "[ . 1 . 2]" 1
837 1 100 MET H 1 103 ILE QG 5.800 . 5.800 5.020 4.988 5.059 . 0 0 "[ . 1 . 2]" 1
838 1 101 ARG HA 1 102 ALA H 3.600 . 3.600 3.575 3.561 3.584 . 0 0 "[ . 1 . 2]" 1
839 1 101 ARG HA 1 103 ILE H 4.800 . 4.800 4.576 4.493 4.721 . 0 0 "[ . 1 . 2]" 1
840 1 101 ARG HA 1 104 GLN H 3.600 . 3.600 3.627 3.537 3.683 0.083 5 0 "[ . 1 . 2]" 1
841 1 101 ARG HA 1 105 MET H 4.800 . 4.800 4.264 3.945 4.464 . 0 0 "[ . 1 . 2]" 1
842 1 101 ARG QB 1 102 ALA H 4.600 . 4.600 2.476 2.371 2.587 . 0 0 "[ . 1 . 2]" 1
843 1 101 ARG HA 1 101 ARG QD 3.800 . 3.800 2.568 1.926 3.493 . 0 0 "[ . 1 . 2]" 1
844 1 101 ARG QD 1 102 ALA H 5.800 . 5.800 4.963 4.574 5.345 . 0 0 "[ . 1 . 2]" 1
845 1 101 ARG HA 1 101 ARG QG 3.800 . 3.800 2.436 1.930 2.820 . 0 0 "[ . 1 . 2]" 1
846 1 101 ARG QG 1 102 ALA H 4.600 . 4.600 3.963 3.657 4.379 . 0 0 "[ . 1 . 2]" 1
847 1 101 ARG H 1 102 ALA H 2.800 . 2.800 2.719 2.648 2.817 0.017 14 0 "[ . 1 . 2]" 1
848 1 101 ARG H 1 103 ILE H 4.800 . 4.800 4.237 4.136 4.306 . 0 0 "[ . 1 . 2]" 1
849 1 102 ALA HA 1 103 ILE H 3.600 . 3.600 3.579 3.573 3.585 . 0 0 "[ . 1 . 2]" 1
850 1 102 ALA HA 1 104 GLN H 4.800 . 4.800 4.468 4.392 4.580 . 0 0 "[ . 1 . 2]" 1
851 1 102 ALA HA 1 105 MET H 3.600 . 3.600 3.483 3.406 3.560 . 0 0 "[ . 1 . 2]" 1
852 1 102 ALA HA 1 106 VAL H 4.800 . 4.800 4.149 3.686 4.343 . 0 0 "[ . 1 . 2]" 1
853 1 101 ARG H 1 102 ALA MB 5.800 . 5.800 4.269 4.201 4.370 . 0 0 "[ . 1 . 2]" 1
854 1 102 ALA MB 1 103 ILE H 3.800 . 3.800 2.441 2.371 2.566 . 0 0 "[ . 1 . 2]" 1
855 1 102 ALA MB 1 105 MET H 5.400 . 5.400 4.626 4.562 4.690 . 0 0 "[ . 1 . 2]" 1
856 1 102 ALA H 1 103 ILE H 2.800 . 2.800 2.709 2.658 2.750 . 0 0 "[ . 1 . 2]" 1
857 1 102 ALA H 1 104 GLN H 4.800 . 4.800 4.209 4.150 4.297 . 0 0 "[ . 1 . 2]" 1
858 1 103 ILE HA 1 103 ILE MD 4.600 . 4.600 3.839 3.808 3.870 . 0 0 "[ . 1 . 2]" 1
859 1 103 ILE HA 1 103 ILE QG 3.400 . 3.400 2.386 2.332 2.441 . 0 0 "[ . 1 . 2]" 1
860 1 103 ILE HA 1 103 ILE MG 3.400 . 3.400 2.441 2.371 2.485 . 0 0 "[ . 1 . 2]" 1
861 1 103 ILE HA 1 104 GLN H 4.800 . 4.800 3.575 3.565 3.582 . 0 0 "[ . 1 . 2]" 1
862 1 103 ILE HA 1 106 VAL H 4.400 . 4.400 3.652 3.410 3.933 . 0 0 "[ . 1 . 2]" 1
863 1 103 ILE HA 1 107 ALA H 4.800 . 4.800 4.061 3.654 4.394 . 0 0 "[ . 1 . 2]" 1
864 1 100 MET HA 1 103 ILE HB 2.800 . 2.800 2.757 2.602 2.860 0.060 19 0 "[ . 1 . 2]" 1
865 1 103 ILE H 1 103 ILE HB 2.400 . 2.400 2.335 2.249 2.410 0.010 13 0 "[ . 1 . 2]" 1
866 1 103 ILE HB 1 104 GLN H 2.800 . 2.800 2.557 2.453 2.634 . 0 0 "[ . 1 . 2]" 1
867 1 100 MET HA 1 103 ILE MD 4.600 . 4.600 2.026 1.818 2.266 . 0 0 "[ . 1 . 2]" 1
868 1 102 ALA H 1 103 ILE MD 5.800 . 5.800 4.721 4.550 4.796 . 0 0 "[ . 1 . 2]" 1
869 1 103 ILE MD 1 104 GLN H 5.400 . 5.400 4.262 4.168 4.354 . 0 0 "[ . 1 . 2]" 1
870 1 103 ILE QG 1 104 GLN H 4.600 . 4.600 4.132 4.068 4.211 . 0 0 "[ . 1 . 2]" 1
871 1 100 MET HA 1 103 ILE MG 5.800 . 5.800 3.973 3.826 4.113 . 0 0 "[ . 1 . 2]" 1
872 1 103 ILE MG 1 104 GLN H 4.600 . 4.600 3.270 3.068 3.430 . 0 0 "[ . 1 . 2]" 1
873 1 103 ILE MG 1 107 ALA H 5.400 . 5.400 4.077 3.779 4.344 . 0 0 "[ . 1 . 2]" 1
874 1 103 ILE H 1 104 GLN H 2.800 . 2.800 2.738 2.659 2.795 . 0 0 "[ . 1 . 2]" 1
875 1 103 ILE H 1 105 MET H 4.800 . 4.800 4.224 4.137 4.297 . 0 0 "[ . 1 . 2]" 1
876 1 104 GLN HA 1 104 GLN QE 3.800 . 3.800 2.570 2.088 3.213 . 0 0 "[ . 1 . 2]" 1
877 1 104 GLN HA 1 105 MET H 3.600 . 3.600 3.579 3.562 3.594 . 0 0 "[ . 1 . 2]" 1
878 1 104 GLN HA 1 106 VAL H 4.800 . 4.800 4.534 4.332 4.701 . 0 0 "[ . 1 . 2]" 1
879 1 104 GLN HA 1 107 ALA H 3.600 . 3.600 3.510 3.305 3.706 0.106 5 0 "[ . 1 . 2]" 1
880 1 104 GLN HA 1 108 ASN H 4.800 . 4.800 4.241 3.816 4.563 . 0 0 "[ . 1 . 2]" 1
881 1 104 GLN QB 1 105 MET QB 5.600 . 5.600 3.985 3.712 4.346 . 0 0 "[ . 1 . 2]" 1
882 1 104 GLN QB 1 105 MET H 4.600 . 4.600 2.574 2.450 2.742 . 0 0 "[ . 1 . 2]" 1
883 1 104 GLN QE 1 108 ASN QD 6.800 . 6.800 2.385 2.100 3.196 . 0 0 "[ . 1 . 2]" 1
884 1 104 GLN QG 1 108 ASN QD 5.600 . 5.600 3.528 1.875 4.517 . 0 0 "[ . 1 . 2]" 1
885 1 104 GLN H 1 105 MET H 2.800 . 2.800 2.692 2.646 2.729 . 0 0 "[ . 1 . 2]" 1
886 1 104 GLN H 1 106 VAL H 4.800 . 4.800 4.245 4.131 4.379 . 0 0 "[ . 1 . 2]" 1
887 1 105 MET HA 1 106 VAL H 3.600 . 3.600 3.576 3.562 3.595 . 0 0 "[ . 1 . 2]" 1
888 1 105 MET HA 1 107 ALA H 4.800 . 4.800 4.563 4.385 4.809 0.009 16 0 "[ . 1 . 2]" 1
889 1 105 MET HA 1 108 ASN QD 4.600 . 4.600 2.777 2.185 3.906 . 0 0 "[ . 1 . 2]" 1
890 1 105 MET HA 1 108 ASN H 3.600 . 3.600 3.642 3.492 3.803 0.203 18 0 "[ . 1 . 2]" 1
891 1 102 ALA HA 1 105 MET QB 4.600 . 4.600 2.641 2.436 2.872 . 0 0 "[ . 1 . 2]" 1
892 1 105 MET QB 1 106 VAL H 4.600 . 4.600 2.508 2.346 2.702 . 0 0 "[ . 1 . 2]" 1
893 1 102 ALA HA 1 105 MET QG 5.400 . 5.400 4.191 3.031 4.861 . 0 0 "[ . 1 . 2]" 1
894 1 105 MET QG 1 106 VAL H 5.800 . 5.800 4.098 3.573 4.488 . 0 0 "[ . 1 . 2]" 1
895 1 105 MET H 1 106 VAL H 2.800 . 2.800 2.726 2.616 2.870 0.070 12 0 "[ . 1 . 2]" 1
896 1 105 MET H 1 107 ALA H 4.800 . 4.800 4.134 3.949 4.263 . 0 0 "[ . 1 . 2]" 1
897 1 106 VAL HA 1 107 ALA H 3.600 . 3.600 3.572 3.550 3.590 . 0 0 "[ . 1 . 2]" 1
898 1 106 VAL HA 1 108 ASN H 4.800 . 4.800 4.247 4.084 4.395 . 0 0 "[ . 1 . 2]" 1
899 1 106 VAL HA 1 109 SER H 3.600 . 3.600 3.544 3.365 3.694 0.094 10 0 "[ . 1 . 2]" 1
900 1 106 VAL HB 1 107 ALA H 3.600 . 3.600 2.571 2.479 2.738 . 0 0 "[ . 1 . 2]" 1
901 1 33 GLY H 1 106 VAL MG1 4.600 . 4.600 2.519 1.928 3.566 . 0 0 "[ . 1 . 2]" 1
902 1 106 VAL MG1 1 107 ALA H 4.600 . 4.600 3.364 3.093 3.568 . 0 0 "[ . 1 . 2]" 1
903 1 106 VAL MG2 1 107 ALA H 5.800 . 5.800 3.892 3.806 3.954 . 0 0 "[ . 1 . 2]" 1
904 1 106 VAL H 1 106 VAL MG1 4.600 . 4.600 3.706 3.677 3.725 . 0 0 "[ . 1 . 2]" 1
905 1 106 VAL H 1 106 VAL MG2 3.800 . 3.800 2.287 2.139 2.474 . 0 0 "[ . 1 . 2]" 1
906 1 106 VAL H 1 107 ALA MB 5.400 . 5.400 4.170 4.074 4.288 . 0 0 "[ . 1 . 2]" 1
907 1 106 VAL H 1 107 ALA H 2.800 . 2.800 2.623 2.504 2.729 . 0 0 "[ . 1 . 2]" 1
908 1 106 VAL H 1 108 ASN H 4.800 . 4.800 4.113 3.993 4.228 . 0 0 "[ . 1 . 2]" 1
909 1 107 ALA HA 1 108 ASN H 3.600 . 3.600 3.562 3.549 3.576 . 0 0 "[ . 1 . 2]" 1
910 1 107 ALA HA 1 110 LEU QD 6.000 . 6.000 2.689 2.400 2.882 . 0 0 "[ . 1 . 2]" 1
911 1 107 ALA HA 1 110 LEU H 3.600 . 3.600 3.255 3.038 3.607 0.007 18 0 "[ . 1 . 2]" 1
912 1 107 ALA HA 1 111 LYS H 4.800 . 4.800 4.028 3.083 4.866 0.066 20 0 "[ . 1 . 2]" 1
913 1 104 GLN QE 1 107 ALA MB 4.800 . 4.800 2.866 2.179 3.386 . 0 0 "[ . 1 . 2]" 1
914 1 107 ALA MB 1 108 ASN H 3.800 . 3.800 2.594 2.488 2.692 . 0 0 "[ . 1 . 2]" 1
915 1 107 ALA MB 1 109 SER H 5.800 . 5.800 4.535 4.344 4.689 . 0 0 "[ . 1 . 2]" 1
916 1 107 ALA MB 1 110 LEU QD 6.200 . 6.200 3.605 3.286 3.835 . 0 0 "[ . 1 . 2]" 1
917 1 107 ALA MB 1 110 LEU H 5.800 . 5.800 4.467 4.210 4.791 . 0 0 "[ . 1 . 2]" 1
918 1 107 ALA H 1 108 ASN H 2.800 . 2.800 2.736 2.663 2.774 . 0 0 "[ . 1 . 2]" 1
919 1 107 ALA H 1 109 SER H 4.800 . 4.800 4.335 4.075 4.518 . 0 0 "[ . 1 . 2]" 1
920 1 104 GLN QE 1 108 ASN HA 5.800 . 5.800 4.526 4.083 5.002 . 0 0 "[ . 1 . 2]" 1
921 1 108 ASN HA 1 108 ASN QD 4.600 . 4.600 3.408 2.709 4.041 . 0 0 "[ . 1 . 2]" 1
922 1 108 ASN HA 1 109 SER H 3.600 . 3.600 3.560 3.504 3.591 . 0 0 "[ . 1 . 2]" 1
923 1 108 ASN HA 1 111 LYS H 4.400 . 4.400 4.114 3.669 4.440 0.040 3 0 "[ . 1 . 2]" 1
924 1 105 MET HA 1 108 ASN QB 4.600 . 4.600 2.875 2.610 3.310 . 0 0 "[ . 1 . 2]" 1
925 1 108 ASN H 1 108 ASN QB 3.400 . 3.400 2.082 1.936 2.328 . 0 0 "[ . 1 . 2]" 1
926 1 108 ASN QB 1 109 SER H 3.800 . 3.800 2.669 2.407 2.980 . 0 0 "[ . 1 . 2]" 1
927 1 104 GLN QE 1 108 ASN H 5.400 . 5.400 4.057 3.129 4.552 . 0 0 "[ . 1 . 2]" 1
928 1 108 ASN H 1 108 ASN QD 3.800 . 3.800 2.698 2.412 3.406 . 0 0 "[ . 1 . 2]" 1
929 1 108 ASN H 1 109 SER H 2.800 . 2.800 2.739 2.548 2.823 0.023 8 0 "[ . 1 . 2]" 1
930 1 108 ASN H 1 110 LEU QD 7.200 . 7.200 4.860 4.594 5.335 . 0 0 "[ . 1 . 2]" 1
931 1 108 ASN H 1 110 LEU H 4.400 . 4.400 4.010 3.787 4.411 0.011 12 0 "[ . 1 . 2]" 1
932 1 109 SER HA 1 110 LEU H 3.600 . 3.600 3.527 3.419 3.594 . 0 0 "[ . 1 . 2]" 1
933 1 109 SER QB 1 110 LEU H 5.800 . 5.800 2.892 2.514 3.581 . 0 0 "[ . 1 . 2]" 1
934 1 109 SER H 1 110 LEU QB 5.400 . 5.400 4.104 3.836 4.882 . 0 0 "[ . 1 . 2]" 1
935 1 109 SER H 1 110 LEU QD 7.200 . 7.200 4.098 3.414 5.184 . 0 0 "[ . 1 . 2]" 1
936 1 109 SER H 1 110 LEU H 2.800 . 2.800 2.390 2.284 2.568 . 0 0 "[ . 1 . 2]" 1
937 1 109 SER H 1 111 LYS H 4.400 . 4.400 4.175 3.659 4.401 0.001 2 0 "[ . 1 . 2]" 1
938 1 110 LEU HA 1 111 LYS QG 4.600 . 4.600 4.070 3.626 4.438 . 0 0 "[ . 1 . 2]" 1
939 1 110 LEU HA 1 111 LYS H 3.600 . 3.600 3.430 2.805 3.590 . 0 0 "[ . 1 . 2]" 1
940 1 32 ASP HA 1 110 LEU QD 6.000 . 6.000 3.261 2.398 4.076 . 0 0 "[ . 1 . 2]" 1
941 1 33 GLY H 1 110 LEU QD 6.000 . 6.000 3.438 2.704 4.407 . 0 0 "[ . 1 . 2]" 1
942 1 110 LEU QD 1 111 LYS H 6.000 . 6.000 3.887 2.542 4.384 . 0 0 "[ . 1 . 2]" 1
943 1 110 LEU H 1 111 LYS H 2.800 . 2.800 2.685 2.362 2.866 0.066 5 0 "[ . 1 . 2]" 1
944 1 111 LYS H 1 111 LYS QE 4.800 . 4.800 3.889 3.004 4.444 . 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 68
_Distance_constraint_stats_list.Viol_count 381
_Distance_constraint_stats_list.Viol_total 316.180
_Distance_constraint_stats_list.Viol_max 0.189
_Distance_constraint_stats_list.Viol_rms 0.0250
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0116
_Distance_constraint_stats_list.Viol_average_violations_only 0.0415
_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 7 ILE 0.794 0.070 20 0 "[ . 1 . 2]"
1 8 LYS 2.327 0.112 20 0 "[ . 1 . 2]"
1 10 GLY 0.555 0.070 18 0 "[ . 1 . 2]"
1 12 LEU 2.297 0.097 2 0 "[ . 1 . 2]"
1 13 HIS 2.476 0.132 18 0 "[ . 1 . 2]"
1 14 LYS 0.061 0.034 5 0 "[ . 1 . 2]"
1 23 ARG 0.061 0.034 5 0 "[ . 1 . 2]"
1 25 ARG 2.297 0.097 2 0 "[ . 1 . 2]"
1 26 TYR 2.097 0.189 4 0 "[ . 1 . 2]"
1 27 PHE 0.555 0.070 18 0 "[ . 1 . 2]"
1 28 LEU 0.969 0.166 19 0 "[ . 1 . 2]"
1 29 LEU 3.121 0.112 20 0 "[ . 1 . 2]"
1 30 LYS 0.042 0.033 19 0 "[ . 1 . 2]"
1 33 GLY 0.126 0.058 18 0 "[ . 1 . 2]"
1 34 SER 0.042 0.033 19 0 "[ . 1 . 2]"
1 35 PHE 0.176 0.049 9 0 "[ . 1 . 2]"
1 36 ILE 0.969 0.166 19 0 "[ . 1 . 2]"
1 37 GLY 1.218 0.125 9 0 "[ . 1 . 2]"
1 38 TYR 2.097 0.189 4 0 "[ . 1 . 2]"
1 53 ASN 1.218 0.125 9 0 "[ . 1 . 2]"
1 55 PHE 0.176 0.049 9 0 "[ . 1 . 2]"
1 57 VAL 0.126 0.058 18 0 "[ . 1 . 2]"
1 63 MET 1.166 0.125 12 0 "[ . 1 . 2]"
1 65 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 PHE 0.645 0.092 2 0 "[ . 1 . 2]"
1 74 VAL 1.166 0.125 12 0 "[ . 1 . 2]"
1 75 ILE 0.251 0.058 17 0 "[ . 1 . 2]"
1 86 ARG 0.251 0.058 17 0 "[ . 1 . 2]"
1 88 PHE 0.645 0.092 2 0 "[ . 1 . 2]"
1 89 HIS 2.476 0.132 18 0 "[ . 1 . 2]"
1 94 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 GLU 0.001 0.001 14 0 "[ . 1 . 2]"
1 96 ARG 0.030 0.028 6 0 "[ . 1 . 2]"
1 97 GLU 0.174 0.064 4 0 "[ . 1 . 2]"
1 98 GLU 0.023 0.017 11 0 "[ . 1 . 2]"
1 99 TRP 0.221 0.075 17 0 "[ . 1 . 2]"
1 100 MET 0.045 0.028 6 0 "[ . 1 . 2]"
1 101 ARG 0.174 0.064 4 0 "[ . 1 . 2]"
1 102 ALA 0.080 0.057 1 0 "[ . 1 . 2]"
1 103 ILE 0.307 0.075 17 0 "[ . 1 . 2]"
1 104 GLN 0.015 0.015 11 0 "[ . 1 . 2]"
1 105 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 VAL 0.057 0.057 1 0 "[ . 1 . 2]"
1 107 ALA 0.088 0.049 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 7 ILE N 1 29 LEU O 3.300 2.700 3.300 2.700 2.645 2.797 0.055 6 0 "[ . 1 . 2]" 2
2 1 7 ILE H 1 29 LEU O 2.300 . 2.300 1.799 1.730 1.902 0.070 20 0 "[ . 1 . 2]" 2
3 1 8 LYS N 1 29 LEU O 3.300 2.700 3.300 3.271 3.030 3.350 0.050 16 0 "[ . 1 . 2]" 2
4 1 8 LYS H 1 29 LEU O 2.300 . 2.300 2.317 2.064 2.406 0.106 6 0 "[ . 1 . 2]" 2
5 1 10 GLY N 1 27 PHE O 3.300 2.700 3.300 2.902 2.732 3.144 . 0 0 "[ . 1 . 2]" 2
6 1 10 GLY H 1 27 PHE O 2.300 . 2.300 1.941 1.749 2.163 0.051 17 0 "[ . 1 . 2]" 2
7 1 12 LEU N 1 25 ARG O 3.300 2.700 3.300 2.752 2.671 2.861 0.029 16 0 "[ . 1 . 2]" 2
8 1 12 LEU H 1 25 ARG O 2.300 . 2.300 1.795 1.728 1.887 0.072 13 0 "[ . 1 . 2]" 2
9 1 13 HIS N 1 89 HIS O 3.300 2.700 3.300 2.645 2.568 2.689 0.132 18 0 "[ . 1 . 2]" 2
10 1 13 HIS H 1 89 HIS O 2.300 . 2.300 1.748 1.694 1.818 0.106 19 0 "[ . 1 . 2]" 2
11 1 14 LYS O 1 23 ARG N 3.300 2.700 3.300 2.847 2.718 3.175 . 0 0 "[ . 1 . 2]" 2
12 1 14 LYS O 1 23 ARG H 2.300 . 2.300 1.903 1.766 2.202 0.034 5 0 "[ . 1 . 2]" 2
13 1 12 LEU O 1 25 ARG N 3.300 2.700 3.300 2.668 2.604 2.761 0.096 19 0 "[ . 1 . 2]" 2
14 1 12 LEU O 1 25 ARG H 2.300 . 2.300 1.755 1.703 1.896 0.097 2 0 "[ . 1 . 2]" 2
15 1 26 TYR N 1 38 TYR O 3.300 2.700 3.300 2.860 2.731 3.147 . 0 0 "[ . 1 . 2]" 2
16 1 26 TYR H 1 38 TYR O 2.300 . 2.300 2.162 1.895 2.489 0.189 4 0 "[ . 1 . 2]" 2
17 1 10 GLY O 1 27 PHE N 3.300 2.700 3.300 2.717 2.630 2.848 0.070 18 0 "[ . 1 . 2]" 2
18 1 10 GLY O 1 27 PHE H 2.300 . 2.300 1.850 1.742 1.974 0.058 20 0 "[ . 1 . 2]" 2
19 1 28 LEU N 1 36 ILE O 3.300 2.700 3.300 2.829 2.660 3.173 0.040 3 0 "[ . 1 . 2]" 2
20 1 28 LEU H 1 36 ILE O 2.300 . 2.300 1.921 1.794 2.301 0.006 4 0 "[ . 1 . 2]" 2
21 1 8 LYS O 1 29 LEU N 3.300 2.700 3.300 2.701 2.638 2.749 0.062 9 0 "[ . 1 . 2]" 2
22 1 8 LYS O 1 29 LEU H 2.300 . 2.300 1.751 1.688 1.831 0.112 20 0 "[ . 1 . 2]" 2
23 1 30 LYS N 1 34 SER O 3.300 2.700 3.300 2.997 2.856 3.309 0.009 19 0 "[ . 1 . 2]" 2
24 1 30 LYS H 1 34 SER O 2.300 . 2.300 2.036 1.899 2.333 0.033 19 0 "[ . 1 . 2]" 2
25 1 35 PHE N 1 55 PHE O 3.300 2.700 3.300 2.756 2.661 2.897 0.039 9 0 "[ . 1 . 2]" 2
26 1 35 PHE H 1 55 PHE O 2.300 . 2.300 1.899 1.751 2.075 0.049 9 0 "[ . 1 . 2]" 2
27 1 28 LEU O 1 36 ILE N 3.300 2.700 3.300 2.838 2.668 3.261 0.032 17 0 "[ . 1 . 2]" 2
28 1 28 LEU O 1 36 ILE H 2.300 . 2.300 1.922 1.689 2.466 0.166 19 0 "[ . 1 . 2]" 2
29 1 37 GLY N 1 53 ASN O 3.300 2.700 3.300 2.691 2.643 2.772 0.057 20 0 "[ . 1 . 2]" 2
30 1 37 GLY H 1 53 ASN O 2.300 . 2.300 1.772 1.675 1.881 0.125 9 0 "[ . 1 . 2]" 2
31 1 26 TYR O 1 38 TYR N 3.300 2.700 3.300 2.689 2.576 2.859 0.124 5 0 "[ . 1 . 2]" 2
32 1 26 TYR O 1 38 TYR H 2.300 . 2.300 1.768 1.649 2.147 0.151 8 0 "[ . 1 . 2]" 2
33 1 33 GLY O 1 57 VAL N 3.300 2.700 3.300 2.800 2.686 3.051 0.014 18 0 "[ . 1 . 2]" 2
34 1 33 GLY O 1 57 VAL H 2.300 . 2.300 1.880 1.742 2.213 0.058 18 0 "[ . 1 . 2]" 2
35 1 63 MET N 1 74 VAL O 3.300 2.700 3.300 2.740 2.674 2.867 0.026 9 0 "[ . 1 . 2]" 2
36 1 63 MET H 1 74 VAL O 2.300 . 2.300 1.863 1.714 2.182 0.086 18 0 "[ . 1 . 2]" 2
37 1 65 THR O 1 72 THR N 3.300 2.700 3.300 2.904 2.742 3.143 . 0 0 "[ . 1 . 2]" 2
38 1 65 THR O 1 72 THR H 2.300 . 2.300 2.004 1.860 2.253 . 0 0 "[ . 1 . 2]" 2
39 1 73 PHE N 1 88 PHE O 3.300 2.700 3.300 2.759 2.675 2.838 0.025 16 0 "[ . 1 . 2]" 2
40 1 73 PHE H 1 88 PHE O 2.300 . 2.300 1.797 1.708 1.901 0.092 2 0 "[ . 1 . 2]" 2
41 1 63 MET O 1 74 VAL N 3.300 2.700 3.300 2.752 2.647 3.031 0.053 12 0 "[ . 1 . 2]" 2
42 1 63 MET O 1 74 VAL H 2.300 . 2.300 1.803 1.675 2.201 0.125 12 0 "[ . 1 . 2]" 2
43 1 75 ILE N 1 86 ARG O 3.300 2.700 3.300 2.874 2.686 3.222 0.014 9 0 "[ . 1 . 2]" 2
44 1 75 ILE H 1 86 ARG O 2.300 . 2.300 1.919 1.742 2.333 0.058 17 0 "[ . 1 . 2]" 2
45 1 73 PHE O 1 88 PHE N 3.300 2.700 3.300 2.815 2.711 2.947 . 0 0 "[ . 1 . 2]" 2
46 1 73 PHE O 1 88 PHE H 2.300 . 2.300 1.864 1.753 2.204 0.047 4 0 "[ . 1 . 2]" 2
47 1 13 HIS O 1 89 HIS N 3.300 2.700 3.300 2.799 2.646 3.119 0.054 10 0 "[ . 1 . 2]" 2
48 1 13 HIS O 1 89 HIS H 2.300 . 2.300 1.870 1.680 2.228 0.120 10 0 "[ . 1 . 2]" 2
49 1 94 ASP O 1 98 GLU N 3.300 2.700 3.300 3.043 2.753 3.178 . 0 0 "[ . 1 . 2]" 2
50 1 94 ASP O 1 98 GLU H 2.300 . 2.300 2.140 1.878 2.274 . 0 0 "[ . 1 . 2]" 2
51 1 95 GLU O 1 99 TRP N 3.300 2.700 3.300 2.880 2.717 3.025 . 0 0 "[ . 1 . 2]" 2
52 1 95 GLU O 1 99 TRP H 2.300 . 2.300 1.939 1.799 2.094 0.001 14 0 "[ . 1 . 2]" 2
53 1 96 ARG O 1 100 MET N 3.300 2.700 3.300 3.198 3.092 3.288 . 0 0 "[ . 1 . 2]" 2
54 1 96 ARG O 1 100 MET H 2.300 . 2.300 2.238 2.122 2.328 0.028 6 0 "[ . 1 . 2]" 2
55 1 97 GLU O 1 101 ARG N 3.300 2.700 3.300 3.190 2.825 3.307 0.007 4 0 "[ . 1 . 2]" 2
56 1 97 GLU O 1 101 ARG H 2.300 . 2.300 2.238 1.891 2.364 0.064 4 0 "[ . 1 . 2]" 2
57 1 98 GLU O 1 102 ALA N 3.300 2.700 3.300 2.948 2.694 3.160 0.006 11 0 "[ . 1 . 2]" 2
58 1 98 GLU O 1 102 ALA H 2.300 . 2.300 2.011 1.783 2.220 0.017 11 0 "[ . 1 . 2]" 2
59 1 99 TRP O 1 103 ILE N 3.300 2.700 3.300 2.875 2.656 3.036 0.044 17 0 "[ . 1 . 2]" 2
60 1 99 TRP O 1 103 ILE H 2.300 . 2.300 1.921 1.725 2.099 0.075 17 0 "[ . 1 . 2]" 2
61 1 100 MET O 1 104 GLN N 3.300 2.700 3.300 3.084 2.879 3.255 . 0 0 "[ . 1 . 2]" 2
62 1 100 MET O 1 104 GLN H 2.300 . 2.300 2.146 1.934 2.315 0.015 11 0 "[ . 1 . 2]" 2
63 1 101 ARG O 1 105 MET N 3.300 2.700 3.300 3.050 2.828 3.231 . 0 0 "[ . 1 . 2]" 2
64 1 101 ARG O 1 105 MET H 2.300 . 2.300 2.118 1.904 2.298 . 0 0 "[ . 1 . 2]" 2
65 1 102 ALA O 1 106 VAL N 3.300 2.700 3.300 3.022 2.709 3.165 . 0 0 "[ . 1 . 2]" 2
66 1 102 ALA O 1 106 VAL H 2.300 . 2.300 2.070 1.743 2.240 0.057 1 0 "[ . 1 . 2]" 2
67 1 103 ILE O 1 107 ALA N 3.300 2.700 3.300 2.922 2.679 3.157 0.021 20 0 "[ . 1 . 2]" 2
68 1 103 ILE O 1 107 ALA H 2.300 . 2.300 1.997 1.751 2.257 0.049 20 0 "[ . 1 . 2]" 2
stop_
save_
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