NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
603039 |
2n7g   |
25805 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n7g
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 1368
_Distance_constraint_stats_list.Viol_count 4021
_Distance_constraint_stats_list.Viol_total 5471.840
_Distance_constraint_stats_list.Viol_max 0.487
_Distance_constraint_stats_list.Viol_rms 0.0310
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0100
_Distance_constraint_stats_list.Viol_average_violations_only 0.0680
_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 24 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 SER 0.032 0.032 15 0 "[ . 1 . 2]"
1 26 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LEU 0.002 0.002 2 0 "[ . 1 . 2]"
1 28 GLN 0.384 0.073 1 0 "[ . 1 . 2]"
1 29 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 PRO 0.792 0.192 9 0 "[ . 1 . 2]"
1 33 PHE 4.848 0.256 13 0 "[ . 1 . 2]"
1 34 ARG 1.145 0.118 19 0 "[ . 1 . 2]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ALA 8.493 0.224 17 0 "[ . 1 . 2]"
1 37 THR 2.124 0.256 13 0 "[ . 1 . 2]"
1 38 LYS 0.074 0.025 14 0 "[ . 1 . 2]"
1 40 CYS 0.863 0.093 7 0 "[ . 1 . 2]"
1 41 LEU 11.997 0.219 18 0 "[ . 1 . 2]"
1 42 ARG 5.240 0.193 20 0 "[ . 1 . 2]"
1 43 ALA 4.708 0.194 8 0 "[ . 1 . 2]"
1 44 LEU 8.323 0.205 7 0 "[ . 1 . 2]"
1 45 ALA 7.139 0.216 9 0 "[ . 1 . 2]"
1 46 MET 3.666 0.196 7 0 "[ . 1 . 2]"
1 47 LYS 1.769 0.133 14 0 "[ . 1 . 2]"
1 48 PHE 0.869 0.106 15 0 "[ . 1 . 2]"
1 49 LYS 0.006 0.006 16 0 "[ . 1 . 2]"
1 50 THR 0.044 0.044 5 0 "[ . 1 . 2]"
1 51 THR 2.240 0.134 16 0 "[ . 1 . 2]"
1 52 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ALA 10.177 0.189 9 0 "[ . 1 . 2]"
1 55 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ASP 5.549 0.151 17 0 "[ . 1 . 2]"
1 58 THR 5.082 0.094 16 0 "[ . 1 . 2]"
1 59 LEU 6.929 0.178 6 0 "[ . 1 . 2]"
1 60 VAL 7.827 0.144 14 0 "[ . 1 . 2]"
1 61 HIS 3.690 0.159 18 0 "[ . 1 . 2]"
1 62 ALA 4.221 0.184 16 0 "[ . 1 . 2]"
1 63 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ASP 9.826 0.196 6 0 "[ . 1 . 2]"
1 65 LEU 15.457 0.208 10 0 "[ . 1 . 2]"
1 66 LEU 3.279 0.266 13 0 "[ . 1 . 2]"
1 67 THR 3.342 0.147 6 0 "[ . 1 . 2]"
1 68 ALA 5.577 0.209 14 0 "[ . 1 . 2]"
1 69 LEU 7.040 0.259 20 0 "[ . 1 . 2]"
1 70 TYR 3.575 0.241 10 0 "[ . 1 . 2]"
1 71 PHE 3.107 0.263 9 0 "[ . 1 . 2]"
1 72 ILE 4.334 0.169 16 0 "[ . 1 . 2]"
1 73 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ARG 0.145 0.070 13 0 "[ . 1 . 2]"
1 75 GLY 1.084 0.086 13 0 "[ . 1 . 2]"
1 76 SER 8.371 0.225 16 0 "[ . 1 . 2]"
1 77 ILE 6.973 0.199 2 0 "[ . 1 . 2]"
1 78 GLU 1.737 0.170 12 0 "[ . 1 . 2]"
1 79 ILE 11.365 0.169 12 0 "[ . 1 . 2]"
1 80 LEU 20.082 0.246 19 0 "[ . 1 . 2]"
1 81 ARG 6.966 0.145 12 0 "[ . 1 . 2]"
1 82 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 VAL 1.975 0.077 12 0 "[ . 1 . 2]"
1 85 VAL 14.343 0.246 19 0 "[ . 1 . 2]"
1 86 VAL 16.644 0.162 12 0 "[ . 1 . 2]"
1 87 ALA 7.307 0.182 19 0 "[ . 1 . 2]"
1 88 ILE 5.052 0.162 12 0 "[ . 1 . 2]"
1 89 LEU 16.111 0.219 12 0 "[ . 1 . 2]"
1 90 GLY 4.661 0.225 16 0 "[ . 1 . 2]"
1 91 LYS 2.334 0.125 16 0 "[ . 1 . 2]"
1 92 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ASP 0.901 0.169 16 0 "[ . 1 . 2]"
1 94 ILE 17.113 0.303 9 0 "[ . 1 . 2]"
1 95 PHE 1.305 0.086 1 0 "[ . 1 . 2]"
1 96 GLY 3.024 0.147 14 0 "[ . 1 . 2]"
1 97 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 PRO 0.388 0.065 20 0 "[ . 1 . 2]"
1 99 LEU 1.256 0.137 14 0 "[ . 1 . 2]"
1 100 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 PRO 3.459 0.105 16 0 "[ . 1 . 2]"
1 106 GLY 0.500 0.266 13 0 "[ . 1 . 2]"
1 107 LYS 12.791 0.487 9 0 "[ . 1 . 2]"
1 108 SER 4.966 0.147 9 0 "[ . 1 . 2]"
1 109 ASN 0.015 0.014 9 0 "[ . 1 . 2]"
1 110 GLY 1.299 0.146 6 0 "[ . 1 . 2]"
1 111 ASP 0.705 0.080 11 0 "[ . 1 . 2]"
1 112 VAL 8.613 0.144 12 0 "[ . 1 . 2]"
1 113 ARG 5.147 0.151 17 0 "[ . 1 . 2]"
1 114 ALA 0.494 0.083 13 0 "[ . 1 . 2]"
1 115 LEU 7.420 0.162 20 0 "[ . 1 . 2]"
1 116 THR 4.204 0.162 20 0 "[ . 1 . 2]"
1 117 TYR 3.414 0.193 6 0 "[ . 1 . 2]"
1 118 CYS 10.768 0.193 6 0 "[ . 1 . 2]"
1 119 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 LEU 5.794 0.133 11 0 "[ . 1 . 2]"
1 121 HIS 0.055 0.055 17 0 "[ . 1 . 2]"
1 122 LYS 9.817 0.246 14 0 "[ . 1 . 2]"
1 123 ILE 6.408 0.178 2 0 "[ . 1 . 2]"
1 124 HIS 0.218 0.218 17 0 "[ . 1 . 2]"
1 125 ARG 3.485 0.137 14 0 "[ . 1 . 2]"
1 126 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 ASP 2.250 0.218 17 0 "[ . 1 . 2]"
1 128 LEU 7.082 0.259 20 0 "[ . 1 . 2]"
1 129 LEU 3.395 0.118 16 0 "[ . 1 . 2]"
1 130 GLU 5.865 0.237 10 0 "[ . 1 . 2]"
1 131 VAL 2.687 0.237 10 0 "[ . 1 . 2]"
1 132 LEU 2.813 0.145 13 0 "[ . 1 . 2]"
1 133 ASP 5.204 0.162 14 0 "[ . 1 . 2]"
1 134 MET 5.721 0.224 8 0 "[ . 1 . 2]"
1 135 TYR 1.103 0.100 8 0 "[ . 1 . 2]"
1 136 PRO 0.356 0.074 20 0 "[ . 1 . 2]"
1 137 GLU 1.741 0.103 18 0 "[ . 1 . 2]"
1 138 PHE 5.748 0.224 17 0 "[ . 1 . 2]"
1 139 SER 2.559 0.210 16 0 "[ . 1 . 2]"
1 140 ASP 1.810 0.210 16 0 "[ . 1 . 2]"
1 141 HIS 2.839 0.169 5 0 "[ . 1 . 2]"
1 142 PHE 0.895 0.116 9 0 "[ . 1 . 2]"
1 143 TRP 3.049 0.118 3 0 "[ . 1 . 2]"
1 144 SER 0.861 0.081 20 0 "[ . 1 . 2]"
1 145 SER 0.808 0.192 9 0 "[ . 1 . 2]"
1 146 LEU 1.368 0.123 16 0 "[ . 1 . 2]"
1 147 GLU 2.858 0.303 9 0 "[ . 1 . 2]"
1 148 ILE 10.116 0.271 9 0 "[ . 1 . 2]"
1 149 THR 10.960 0.219 12 0 "[ . 1 . 2]"
1 150 PHE 2.765 0.141 13 0 "[ . 1 . 2]"
1 151 ASN 0.849 0.266 14 0 "[ . 1 . 2]"
1 152 LEU 4.037 0.147 14 0 "[ . 1 . 2]"
1 153 ARG 1.673 0.106 18 0 "[ . 1 . 2]"
1 154 ASP 0.192 0.060 19 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 79 ILE H 1 79 ILE HG13 . . 4.520 2.805 2.773 2.871 . 0 0 "[ . 1 . 2]" 1
2 1 79 ILE H 1 79 ILE MG . . 4.540 3.743 3.728 3.758 . 0 0 "[ . 1 . 2]" 1
3 1 79 ILE H 1 87 ALA H . . 3.990 3.632 3.580 3.704 . 0 0 "[ . 1 . 2]" 1
4 1 79 ILE H 1 80 LEU H . . 4.170 4.196 4.159 4.242 0.072 6 0 "[ . 1 . 2]" 1
5 1 79 ILE H 1 79 ILE HB . . 3.750 2.428 2.411 2.454 . 0 0 "[ . 1 . 2]" 1
6 1 78 GLU HB2 1 79 ILE H . . 4.500 4.007 3.314 4.522 0.022 5 0 "[ . 1 . 2]" 1
7 1 79 ILE H 1 79 ILE MD . . 4.490 3.927 3.875 4.026 . 0 0 "[ . 1 . 2]" 1
8 1 78 GLU HA 1 79 ILE H . . 3.340 2.142 2.140 2.148 . 0 0 "[ . 1 . 2]" 1
9 1 79 ILE H 1 79 ILE HG12 . . 4.100 3.958 3.936 4.011 . 0 0 "[ . 1 . 2]" 1
10 1 78 GLU HB3 1 79 ILE H . . 4.350 3.941 3.655 4.267 . 0 0 "[ . 1 . 2]" 1
11 1 78 GLU QG 1 79 ILE H . . 4.400 4.132 3.267 4.259 . 0 0 "[ . 1 . 2]" 1
12 1 109 ASN H 1 110 GLY H . . 3.690 2.124 1.887 2.625 . 0 0 "[ . 1 . 2]" 1
13 1 79 ILE MG 1 110 GLY H . . 4.950 3.764 3.374 4.298 . 0 0 "[ . 1 . 2]" 1
14 1 109 ASN HB3 1 110 GLY H . . 4.800 3.255 2.752 3.866 . 0 0 "[ . 1 . 2]" 1
15 1 62 ALA MB 1 110 GLY H . . 4.070 4.006 3.894 4.085 0.015 10 0 "[ . 1 . 2]" 1
16 1 110 GLY H 1 111 ASP H . . 4.500 4.362 4.232 4.514 0.014 13 0 "[ . 1 . 2]" 1
17 1 62 ALA HA 1 110 GLY H . . 3.880 3.778 3.586 3.937 0.057 1 0 "[ . 1 . 2]" 1
18 1 110 GLY H 1 152 LEU MD2 . . 5.000 5.000 4.430 5.097 0.097 10 0 "[ . 1 . 2]" 1
19 1 110 GLY H 1 152 LEU MD1 . . 5.000 5.000 4.846 5.146 0.146 6 0 "[ . 1 . 2]" 1
20 1 85 VAL H 1 85 VAL HA . . 2.890 2.748 2.734 2.831 . 0 0 "[ . 1 . 2]" 1
21 1 85 VAL H 1 85 VAL HB . . 3.500 3.567 3.471 3.587 0.087 12 0 "[ . 1 . 2]" 1
22 1 85 VAL H 1 85 VAL MG2 . . 3.300 1.948 1.752 2.012 . 0 0 "[ . 1 . 2]" 1
23 1 80 LEU HA 1 85 VAL H . . 4.400 3.233 3.157 3.549 . 0 0 "[ . 1 . 2]" 1
24 1 84 VAL H 1 85 VAL H . . 4.370 4.347 4.132 4.359 . 0 0 "[ . 1 . 2]" 1
25 1 85 VAL H 1 86 VAL H . . 4.520 4.618 4.613 4.625 0.105 19 0 "[ . 1 . 2]" 1
26 1 85 VAL H 1 85 VAL MG1 . . 3.220 2.711 2.618 3.015 . 0 0 "[ . 1 . 2]" 1
27 1 84 VAL HB 1 85 VAL H . . 4.260 3.827 3.792 4.275 0.015 19 0 "[ . 1 . 2]" 1
28 1 84 VAL MG2 1 85 VAL H . . 3.700 2.052 1.990 3.122 . 0 0 "[ . 1 . 2]" 1
29 1 84 VAL MG1 1 85 VAL H . . 3.300 2.438 2.416 2.465 . 0 0 "[ . 1 . 2]" 1
30 1 108 SER H 1 109 ASN H . . 5.020 4.599 4.444 4.647 . 0 0 "[ . 1 . 2]" 1
31 1 108 SER HA 1 109 ASN H . . 3.660 2.328 2.141 2.520 . 0 0 "[ . 1 . 2]" 1
32 1 90 GLY H 1 93 ASP H . . 4.650 4.024 3.881 4.268 . 0 0 "[ . 1 . 2]" 1
33 1 92 ASN H 1 93 ASP H . . 3.780 2.668 2.597 2.728 . 0 0 "[ . 1 . 2]" 1
34 1 72 ILE HB 1 93 ASP H . . 4.310 4.292 4.145 4.479 0.169 16 0 "[ . 1 . 2]" 1
35 1 72 ILE MD 1 93 ASP QB . . 5.500 3.402 3.031 3.677 . 0 0 "[ . 1 . 2]" 1
36 1 93 ASP H 1 94 ILE H . . 4.000 3.238 3.118 3.329 . 0 0 "[ . 1 . 2]" 1
37 1 91 LYS H 1 93 ASP H . . 4.540 3.923 3.869 4.152 . 0 0 "[ . 1 . 2]" 1
38 1 92 ASN HB2 1 93 ASP H . . 4.930 3.915 3.331 4.316 . 0 0 "[ . 1 . 2]" 1
39 1 133 ASP H 1 134 MET H . . 3.530 2.543 2.438 2.620 . 0 0 "[ . 1 . 2]" 1
40 1 132 LEU HB2 1 133 ASP H . . 4.260 2.936 2.748 3.291 . 0 0 "[ . 1 . 2]" 1
41 1 130 GLU HB3 1 133 ASP H . . 5.000 5.109 5.048 5.141 0.141 10 0 "[ . 1 . 2]" 1
42 1 133 ASP H 1 133 ASP HB3 . . 3.140 2.708 2.559 2.941 . 0 0 "[ . 1 . 2]" 1
43 1 132 LEU HB3 1 133 ASP H . . 3.640 3.612 3.147 3.785 0.145 13 0 "[ . 1 . 2]" 1
44 1 130 GLU HA 1 133 ASP H . . 3.900 3.393 3.308 3.443 . 0 0 "[ . 1 . 2]" 1
45 1 132 LEU H 1 133 ASP H . . 3.560 2.535 2.506 2.591 . 0 0 "[ . 1 . 2]" 1
46 1 133 ASP H 1 135 TYR H . . 4.000 3.923 3.825 4.054 0.054 8 0 "[ . 1 . 2]" 1
47 1 133 ASP H 1 133 ASP HB2 . . 3.430 2.405 2.212 2.530 . 0 0 "[ . 1 . 2]" 1
48 1 129 LEU HA 1 133 ASP H . . 4.120 4.066 3.961 4.173 0.053 10 0 "[ . 1 . 2]" 1
49 1 40 CYS H 1 41 LEU H . . 4.050 2.569 2.259 2.722 . 0 0 "[ . 1 . 2]" 1
50 1 40 CYS H 1 40 CYS HB2 . . 4.030 2.589 2.315 2.669 . 0 0 "[ . 1 . 2]" 1
51 1 40 CYS H 1 40 CYS HB3 . . 4.170 3.595 3.560 3.647 . 0 0 "[ . 1 . 2]" 1
52 1 48 PHE HB3 1 49 LYS H . . 4.960 3.607 2.384 4.468 . 0 0 "[ . 1 . 2]" 1
53 1 49 LYS H 1 122 LYS H . . 4.060 3.467 2.965 3.888 . 0 0 "[ . 1 . 2]" 1
54 1 48 PHE QD 1 49 LYS H . . 4.660 2.242 1.932 3.067 . 0 0 "[ . 1 . 2]" 1
55 1 48 PHE HB2 1 49 LYS H . . 5.150 4.215 2.689 4.539 . 0 0 "[ . 1 . 2]" 1
56 1 49 LYS H 1 49 LYS QD . . 4.340 4.037 3.041 4.338 . 0 0 "[ . 1 . 2]" 1
57 1 48 PHE HA 1 49 LYS H . . 3.810 2.217 2.137 2.555 . 0 0 "[ . 1 . 2]" 1
58 1 89 LEU HG 1 90 GLY H . . 4.940 4.152 4.140 4.164 . 0 0 "[ . 1 . 2]" 1
59 1 89 LEU HA 1 90 GLY H . . 3.370 2.789 2.757 2.813 . 0 0 "[ . 1 . 2]" 1
60 1 90 GLY H 1 91 LYS H . . 4.110 3.818 3.643 4.235 0.125 16 0 "[ . 1 . 2]" 1
61 1 89 LEU MD2 1 90 GLY H . . 4.500 4.346 4.303 4.393 . 0 0 "[ . 1 . 2]" 1
62 1 89 LEU MD1 1 90 GLY H . . 4.800 3.711 3.660 3.777 . 0 0 "[ . 1 . 2]" 1
63 1 89 LEU QB 1 90 GLY H . . 4.300 1.832 1.815 1.850 . 0 0 "[ . 1 . 2]" 1
64 1 151 ASN HB2 1 151 ASN HD22 . . 4.160 3.813 3.551 4.095 . 0 0 "[ . 1 . 2]" 1
65 1 94 ILE HB 1 149 THR H . . 4.490 4.545 4.508 4.591 0.101 16 0 "[ . 1 . 2]" 1
66 1 148 ILE MD 1 149 THR H . . 5.000 5.045 4.964 5.105 0.105 4 0 "[ . 1 . 2]" 1
67 1 149 THR H 1 150 PHE H . . 3.940 2.262 2.153 2.339 . 0 0 "[ . 1 . 2]" 1
68 1 149 THR H 1 149 THR MG . . 4.750 3.753 3.709 3.787 . 0 0 "[ . 1 . 2]" 1
69 1 148 ILE HA 1 149 THR H . . 3.960 2.152 2.141 2.178 . 0 0 "[ . 1 . 2]" 1
70 1 148 ILE MG 1 149 THR H . . 4.430 2.571 2.362 2.696 . 0 0 "[ . 1 . 2]" 1
71 1 149 THR H 1 149 THR HB . . 4.360 2.427 2.364 2.517 . 0 0 "[ . 1 . 2]" 1
72 1 33 PHE H 1 34 ARG H . . 3.940 3.002 2.690 3.166 . 0 0 "[ . 1 . 2]" 1
73 1 33 PHE H 1 33 PHE QD . . 4.220 4.223 4.100 4.338 0.118 11 0 "[ . 1 . 2]" 1
74 1 134 MET H 1 134 MET HB3 . . 3.800 2.900 2.449 3.593 . 0 0 "[ . 1 . 2]" 1
75 1 134 MET H 1 134 MET HB2 . . 3.470 3.050 2.130 3.609 0.139 5 0 "[ . 1 . 2]" 1
76 1 133 ASP HB3 1 134 MET H . . 3.860 2.634 2.516 2.827 . 0 0 "[ . 1 . 2]" 1
77 1 131 VAL HA 1 134 MET H . . 4.310 3.566 3.441 3.651 . 0 0 "[ . 1 . 2]" 1
78 1 134 MET H 1 134 MET ME . . 4.320 3.325 3.159 3.603 . 0 0 "[ . 1 . 2]" 1
79 1 130 GLU HA 1 134 MET H . . 4.070 4.042 3.872 4.294 0.224 8 0 "[ . 1 . 2]" 1
80 1 132 LEU H 1 134 MET H . . 4.180 4.169 4.013 4.320 0.140 8 0 "[ . 1 . 2]" 1
81 1 134 MET H 1 135 TYR H . . 2.460 2.497 2.461 2.560 0.100 8 0 "[ . 1 . 2]" 1
82 1 134 MET H 1 134 MET HG2 . . 4.610 3.005 2.011 4.393 . 0 0 "[ . 1 . 2]" 1
83 1 133 ASP HB2 1 134 MET H . . 3.740 3.734 3.527 3.829 0.089 20 0 "[ . 1 . 2]" 1
84 1 134 MET H 1 134 MET HG3 . . 3.940 3.440 1.939 3.810 . 0 0 "[ . 1 . 2]" 1
85 1 82 GLY H 1 83 ASP H . . 4.650 3.226 3.211 3.414 . 0 0 "[ . 1 . 2]" 1
86 1 81 ARG HA 1 82 GLY H . . 3.760 2.364 2.340 2.661 . 0 0 "[ . 1 . 2]" 1
87 1 81 ARG H 1 82 GLY H . . 4.930 4.604 4.525 4.610 . 0 0 "[ . 1 . 2]" 1
88 1 81 ARG HB3 1 82 GLY H . . 4.920 4.082 3.702 4.113 . 0 0 "[ . 1 . 2]" 1
89 1 94 ILE HB 1 95 PHE H . . 4.550 3.777 3.745 3.814 . 0 0 "[ . 1 . 2]" 1
90 1 94 ILE MD 1 95 PHE H . . 4.380 3.897 3.859 3.931 . 0 0 "[ . 1 . 2]" 1
91 1 95 PHE H 1 96 GLY H . . 4.840 4.352 4.336 4.368 . 0 0 "[ . 1 . 2]" 1
92 1 94 ILE H 1 95 PHE H . . 4.720 4.626 4.621 4.631 . 0 0 "[ . 1 . 2]" 1
93 1 94 ILE HA 1 95 PHE H . . 3.650 2.230 2.221 2.240 . 0 0 "[ . 1 . 2]" 1
94 1 95 PHE H 1 95 PHE QD . . 4.860 2.506 2.422 3.177 . 0 0 "[ . 1 . 2]" 1
95 1 94 ILE MG 1 95 PHE H . . 4.000 4.065 4.044 4.086 0.086 1 0 "[ . 1 . 2]" 1
96 1 57 ASP H 1 113 ARG HG2 . . 5.500 5.392 5.298 5.464 . 0 0 "[ . 1 . 2]" 1
97 1 57 ASP H 1 57 ASP HB2 . . 3.600 2.232 2.203 2.247 . 0 0 "[ . 1 . 2]" 1
98 1 57 ASP H 1 113 ARG HG3 . . 3.950 4.058 3.985 4.101 0.151 17 0 "[ . 1 . 2]" 1
99 1 56 GLY HA3 1 57 ASP H . . 4.180 3.330 3.318 3.339 . 0 0 "[ . 1 . 2]" 1
100 1 56 GLY H 1 57 ASP H . . 3.710 1.988 1.972 1.998 . 0 0 "[ . 1 . 2]" 1
101 1 57 ASP H 1 114 ALA MB . . 3.480 3.166 3.002 3.267 . 0 0 "[ . 1 . 2]" 1
102 1 57 ASP H 1 114 ALA H . . 4.370 4.067 3.965 4.161 . 0 0 "[ . 1 . 2]" 1
103 1 57 ASP H 1 57 ASP HB3 . . 3.280 3.309 3.255 3.338 0.058 4 0 "[ . 1 . 2]" 1
104 1 56 GLY HA2 1 57 ASP H . . 4.410 3.219 3.208 3.233 . 0 0 "[ . 1 . 2]" 1
105 1 57 ASP H 1 58 THR H . . 4.500 4.543 4.532 4.567 0.067 16 0 "[ . 1 . 2]" 1
106 1 144 SER HB3 1 145 SER H . . 4.440 2.782 2.475 3.565 . 0 0 "[ . 1 . 2]" 1
107 1 144 SER HB2 1 145 SER H . . 4.440 3.752 2.538 4.279 . 0 0 "[ . 1 . 2]" 1
108 1 145 SER H 1 145 SER QB . . 3.530 2.223 2.096 2.361 . 0 0 "[ . 1 . 2]" 1
109 1 144 SER HA 1 145 SER H . . 3.880 3.530 3.376 3.564 . 0 0 "[ . 1 . 2]" 1
110 1 143 TRP H 1 145 SER H . . 4.670 4.335 3.935 4.489 . 0 0 "[ . 1 . 2]" 1
111 1 145 SER H 1 146 LEU H . . 2.930 2.301 2.040 2.441 . 0 0 "[ . 1 . 2]" 1
112 1 142 PHE HA 1 145 SER H . . 3.920 3.798 3.582 3.936 0.016 17 0 "[ . 1 . 2]" 1
113 1 144 SER H 1 145 SER H . . 3.560 2.544 2.342 2.775 . 0 0 "[ . 1 . 2]" 1
114 1 51 THR HB 1 52 HIS H . . 4.490 4.411 4.365 4.448 . 0 0 "[ . 1 . 2]" 1
115 1 52 HIS H 1 53 ALA H . . 4.570 4.406 4.365 4.471 . 0 0 "[ . 1 . 2]" 1
116 1 52 HIS H 1 52 HIS HB2 . . 4.260 3.260 2.283 3.621 . 0 0 "[ . 1 . 2]" 1
117 1 51 THR MG 1 52 HIS H . . 4.140 2.930 2.781 3.098 . 0 0 "[ . 1 . 2]" 1
118 1 51 THR H 1 52 HIS H . . 4.590 3.996 3.903 4.258 . 0 0 "[ . 1 . 2]" 1
119 1 51 THR HA 1 52 HIS H . . 3.550 2.147 2.141 2.161 . 0 0 "[ . 1 . 2]" 1
120 1 113 ARG H 1 113 ARG HG2 . . 5.000 4.834 4.776 4.897 . 0 0 "[ . 1 . 2]" 1
121 1 112 VAL MG1 1 113 ARG H . . 3.880 3.118 2.990 3.228 . 0 0 "[ . 1 . 2]" 1
122 1 112 VAL HA 1 113 ARG H . . 3.370 2.160 2.145 2.180 . 0 0 "[ . 1 . 2]" 1
123 1 79 ILE HA 1 113 ARG H . . 4.280 2.495 2.424 2.623 . 0 0 "[ . 1 . 2]" 1
124 1 112 VAL H 1 113 ARG H . . 4.690 4.330 4.274 4.401 . 0 0 "[ . 1 . 2]" 1
125 1 113 ARG H 1 113 ARG HG3 . . 4.580 4.536 4.503 4.574 . 0 0 "[ . 1 . 2]" 1
126 1 112 VAL MG2 1 113 ARG H . . 4.170 4.144 4.090 4.183 0.013 15 0 "[ . 1 . 2]" 1
127 1 113 ARG H 1 113 ARG HB2 . . 3.980 2.787 2.741 2.897 . 0 0 "[ . 1 . 2]" 1
128 1 113 ARG H 1 114 ALA H . . 4.680 4.280 4.240 4.363 . 0 0 "[ . 1 . 2]" 1
129 1 49 LYS HA 1 50 THR H . . 4.330 2.256 2.148 2.555 . 0 0 "[ . 1 . 2]" 1
130 1 49 LYS QB 1 50 THR H . . 4.710 3.758 2.086 4.014 . 0 0 "[ . 1 . 2]" 1
131 1 91 LYS HA 1 92 ASN H . . 4.190 3.523 3.460 3.556 . 0 0 "[ . 1 . 2]" 1
132 1 91 LYS HB3 1 92 ASN H . . 5.380 3.942 3.873 4.152 . 0 0 "[ . 1 . 2]" 1
133 1 91 LYS HB2 1 92 ASN H . . 5.360 3.720 3.496 3.915 . 0 0 "[ . 1 . 2]" 1
134 1 91 LYS H 1 92 ASN H . . 4.810 2.563 2.411 2.738 . 0 0 "[ . 1 . 2]" 1
135 1 92 ASN H 1 92 ASN HB2 . . 4.380 2.547 2.067 3.591 . 0 0 "[ . 1 . 2]" 1
136 1 82 GLY HA2 1 83 ASP H . . 3.900 3.564 3.563 3.566 . 0 0 "[ . 1 . 2]" 1
137 1 83 ASP H 1 84 VAL H . . 3.460 2.604 2.512 2.618 . 0 0 "[ . 1 . 2]" 1
138 1 83 ASP H 1 83 ASP QB . . 3.820 2.213 2.070 2.787 . 0 0 "[ . 1 . 2]" 1
139 1 82 GLY HA3 1 83 ASP H . . 3.730 2.666 2.531 2.679 . 0 0 "[ . 1 . 2]" 1
140 1 120 LEU QB 1 121 HIS H . . 4.260 2.624 2.562 3.250 . 0 0 "[ . 1 . 2]" 1
141 1 120 LEU H 1 121 HIS H . . 4.830 4.584 4.445 4.606 . 0 0 "[ . 1 . 2]" 1
142 1 120 LEU MD1 1 121 HIS H . . 5.000 4.860 4.826 5.055 0.055 17 0 "[ . 1 . 2]" 1
143 1 120 LEU HA 1 121 HIS H . . 3.790 2.317 2.142 2.335 . 0 0 "[ . 1 . 2]" 1
144 1 36 ALA MB 1 37 THR H . . 4.130 3.400 3.279 3.465 . 0 0 "[ . 1 . 2]" 1
145 1 37 THR H 1 37 THR MG . . 3.720 2.663 2.081 3.709 . 0 0 "[ . 1 . 2]" 1
146 1 33 PHE HA 1 37 THR H . . 5.500 5.606 5.514 5.756 0.256 13 0 "[ . 1 . 2]" 1
147 1 36 ALA HA 1 37 THR H . . 3.700 2.156 2.142 2.175 . 0 0 "[ . 1 . 2]" 1
148 1 61 HIS H 1 61 HIS QB . . 3.440 2.747 2.626 3.249 . 0 0 "[ . 1 . 2]" 1
149 1 60 VAL HA 1 61 HIS H . . 3.240 2.384 2.347 2.405 . 0 0 "[ . 1 . 2]" 1
150 1 60 VAL MG2 1 61 HIS H . . 4.130 3.980 3.968 3.991 . 0 0 "[ . 1 . 2]" 1
151 1 60 VAL HB 1 61 HIS H . . 4.510 3.336 3.260 3.465 . 0 0 "[ . 1 . 2]" 1
152 1 61 HIS H 1 62 ALA H . . 4.530 4.390 4.342 4.432 . 0 0 "[ . 1 . 2]" 1
153 1 61 HIS H 1 64 ASP H . . 3.940 4.001 3.904 4.099 0.159 18 0 "[ . 1 . 2]" 1
154 1 60 VAL MG1 1 61 HIS H . . 3.520 1.916 1.871 1.983 . 0 0 "[ . 1 . 2]" 1
155 1 60 VAL H 1 61 HIS H . . 4.310 4.422 4.417 4.432 0.122 2 0 "[ . 1 . 2]" 1
156 1 52 HIS HB3 1 53 ALA H . . 4.620 4.131 3.531 4.366 . 0 0 "[ . 1 . 2]" 1
157 1 52 HIS HA 1 53 ALA H . . 3.420 2.143 2.140 2.147 . 0 0 "[ . 1 . 2]" 1
158 1 53 ALA H 1 53 ALA MB . . 3.500 2.392 2.345 2.471 . 0 0 "[ . 1 . 2]" 1
159 1 53 ALA H 1 118 CYS HB3 . . 5.000 5.145 5.106 5.189 0.189 9 0 "[ . 1 . 2]" 1
160 1 52 HIS HB2 1 53 ALA H . . 4.590 3.804 3.411 4.443 . 0 0 "[ . 1 . 2]" 1
161 1 53 ALA H 1 119 ASP HA . . 4.460 3.245 2.901 3.504 . 0 0 "[ . 1 . 2]" 1
162 1 126 ASP H 1 127 ASP H . . 3.920 2.836 2.727 2.945 . 0 0 "[ . 1 . 2]" 1
163 1 106 GLY HA2 1 107 LYS H . . 3.550 2.468 2.220 3.403 . 0 0 "[ . 1 . 2]" 1
164 1 107 LYS H 1 107 LYS HG2 . . 4.160 4.244 4.034 4.277 0.117 7 0 "[ . 1 . 2]" 1
165 1 107 LYS H 1 107 LYS HB3 . . 3.610 3.507 3.365 3.531 . 0 0 "[ . 1 . 2]" 1
166 1 106 GLY H 1 107 LYS H . . 4.680 4.324 3.337 4.416 . 0 0 "[ . 1 . 2]" 1
167 1 107 LYS H 1 108 SER H . . 4.540 4.586 4.375 4.627 0.087 3 0 "[ . 1 . 2]" 1
168 1 106 GLY HA3 1 107 LYS H . . 3.420 2.694 2.179 2.990 . 0 0 "[ . 1 . 2]" 1
169 1 107 LYS H 1 107 LYS HD3 . . 4.420 3.329 3.171 4.541 0.121 9 0 "[ . 1 . 2]" 1
170 1 107 LYS H 1 107 LYS HG3 . . 4.060 3.119 2.510 3.179 . 0 0 "[ . 1 . 2]" 1
171 1 107 LYS H 1 107 LYS HD2 . . 4.560 3.527 3.371 3.885 . 0 0 "[ . 1 . 2]" 1
172 1 112 VAL H 1 112 VAL MG1 . . 3.740 3.762 3.755 3.789 0.049 16 0 "[ . 1 . 2]" 1
173 1 112 VAL H 1 112 VAL HB . . 3.700 2.453 2.437 2.504 . 0 0 "[ . 1 . 2]" 1
174 1 111 ASP HA 1 112 VAL H . . 3.370 2.142 2.138 2.183 . 0 0 "[ . 1 . 2]" 1
175 1 111 ASP HB2 1 112 VAL H . . 4.370 4.153 3.735 4.383 0.013 7 0 "[ . 1 . 2]" 1
176 1 60 VAL H 1 112 VAL H . . 3.820 3.146 2.942 3.279 . 0 0 "[ . 1 . 2]" 1
177 1 127 ASP HA 1 130 GLU H . . 4.400 3.562 3.491 3.811 . 0 0 "[ . 1 . 2]" 1
178 1 130 GLU H 1 130 GLU HB2 . . 3.560 2.289 2.075 2.339 . 0 0 "[ . 1 . 2]" 1
179 1 129 LEU QB 1 130 GLU H . . 4.020 2.567 2.367 2.715 . 0 0 "[ . 1 . 2]" 1
180 1 130 GLU H 1 130 GLU HB3 . . 3.530 3.532 3.166 3.563 0.033 5 0 "[ . 1 . 2]" 1
181 1 129 LEU H 1 130 GLU H . . 3.790 2.727 2.667 2.900 . 0 0 "[ . 1 . 2]" 1
182 1 126 ASP HA 1 130 GLU H . . 4.560 4.124 3.711 4.278 . 0 0 "[ . 1 . 2]" 1
183 1 128 LEU HA 1 130 GLU H . . 4.670 4.488 4.331 4.661 . 0 0 "[ . 1 . 2]" 1
184 1 130 GLU H 1 131 VAL H . . 3.230 2.879 2.821 2.941 . 0 0 "[ . 1 . 2]" 1
185 1 129 LEU MD1 1 130 GLU H . . 4.050 3.460 2.593 4.097 0.047 16 0 "[ . 1 . 2]" 1
186 1 130 GLU H 1 130 GLU HG3 . . 3.980 3.855 3.582 3.915 . 0 0 "[ . 1 . 2]" 1
187 1 130 GLU H 1 130 GLU HG2 . . 3.930 2.672 2.517 4.052 0.122 10 0 "[ . 1 . 2]" 1
188 1 129 LEU HA 1 130 GLU H . . 4.270 3.539 3.522 3.560 . 0 0 "[ . 1 . 2]" 1
189 1 83 ASP HA 1 84 VAL H . . 3.920 3.521 2.771 3.563 . 0 0 "[ . 1 . 2]" 1
190 1 84 VAL H 1 84 VAL HB . . 3.500 3.328 3.180 3.340 . 0 0 "[ . 1 . 2]" 1
191 1 83 ASP QB 1 84 VAL H . . 4.490 2.531 2.347 3.874 . 0 0 "[ . 1 . 2]" 1
192 1 84 VAL H 1 84 VAL MG2 . . 4.000 4.065 3.846 4.077 0.077 12 0 "[ . 1 . 2]" 1
193 1 81 ARG H 1 84 VAL H . . 3.460 3.468 3.342 3.493 0.033 8 0 "[ . 1 . 2]" 1
194 1 84 VAL H 1 84 VAL MG1 . . 4.000 3.037 3.002 3.616 . 0 0 "[ . 1 . 2]" 1
195 1 80 LEU QB 1 84 VAL H . . 5.500 5.422 4.060 5.530 0.030 8 0 "[ . 1 . 2]" 1
196 1 122 LYS H 1 122 LYS QE . . 4.190 4.291 4.251 4.374 0.184 17 0 "[ . 1 . 2]" 1
197 1 48 PHE QD 1 122 LYS H . . 4.550 4.560 4.250 4.656 0.106 15 0 "[ . 1 . 2]" 1
198 1 50 THR HA 1 122 LYS H . . 4.830 4.113 3.385 4.327 . 0 0 "[ . 1 . 2]" 1
199 1 122 LYS H 1 122 LYS HD3 . . 4.690 4.856 4.763 4.936 0.246 14 0 "[ . 1 . 2]" 1
200 1 122 LYS H 1 122 LYS HG2 . . 4.650 4.456 4.381 4.702 0.052 20 0 "[ . 1 . 2]" 1
201 1 74 ARG HG3 1 75 GLY H . . 4.110 3.184 2.169 4.142 0.032 13 0 "[ . 1 . 2]" 1
202 1 74 ARG HG2 1 75 GLY H . . 3.720 3.184 2.497 3.790 0.070 13 0 "[ . 1 . 2]" 1
203 1 74 ARG HA 1 75 GLY H . . 3.100 2.196 2.157 2.364 . 0 0 "[ . 1 . 2]" 1
204 1 75 GLY H 1 76 SER H . . 4.350 4.217 4.126 4.370 0.020 13 0 "[ . 1 . 2]" 1
205 1 74 ARG QB 1 75 GLY H . . 4.130 3.543 2.538 3.753 . 0 0 "[ . 1 . 2]" 1
206 1 69 LEU MD2 1 70 TYR H . . 5.500 4.778 4.044 4.934 . 0 0 "[ . 1 . 2]" 1
207 1 69 LEU QB 1 70 TYR H . . 4.690 2.677 2.333 2.800 . 0 0 "[ . 1 . 2]" 1
208 1 69 LEU HG 1 70 TYR H . . 5.500 4.734 4.376 5.013 . 0 0 "[ . 1 . 2]" 1
209 1 69 LEU H 1 70 TYR H . . 4.500 4.615 4.589 4.619 0.119 19 0 "[ . 1 . 2]" 1
210 1 70 TYR H 1 70 TYR QD . . 4.130 3.494 2.460 4.033 . 0 0 "[ . 1 . 2]" 1
211 1 69 LEU MD1 1 70 TYR H . . 4.500 4.460 4.292 4.741 0.241 10 0 "[ . 1 . 2]" 1
212 1 69 LEU HA 1 70 TYR H . . 3.630 2.305 2.253 2.436 . 0 0 "[ . 1 . 2]" 1
213 1 151 ASN HD22 1 152 LEU H . . 4.810 4.782 4.249 4.830 0.020 8 0 "[ . 1 . 2]" 1
214 1 152 LEU H 1 153 ARG H . . 4.500 4.547 4.444 4.606 0.106 18 0 "[ . 1 . 2]" 1
215 1 151 ASN HA 1 152 LEU H . . 3.640 2.157 2.140 2.187 . 0 0 "[ . 1 . 2]" 1
216 1 152 LEU H 1 152 LEU HG . . 4.500 4.395 2.209 4.558 0.058 12 0 "[ . 1 . 2]" 1
217 1 152 LEU H 1 152 LEU MD2 . . 4.830 4.019 2.499 4.289 . 0 0 "[ . 1 . 2]" 1
218 1 152 LEU H 1 152 LEU MD1 . . 4.540 3.105 2.810 4.268 . 0 0 "[ . 1 . 2]" 1
219 1 98 PRO HA 1 99 LEU H . . 3.980 2.204 2.151 2.415 . 0 0 "[ . 1 . 2]" 1
220 1 99 LEU H 1 99 LEU MD2 . . 5.080 3.067 1.873 4.277 . 0 0 "[ . 1 . 2]" 1
221 1 99 LEU H 1 99 LEU MD1 . . 5.080 3.706 2.106 4.309 . 0 0 "[ . 1 . 2]" 1
222 1 140 ASP H 1 140 ASP HB3 . . 3.340 2.839 2.600 3.136 . 0 0 "[ . 1 . 2]" 1
223 1 138 PHE HA 1 140 ASP H . . 4.940 3.961 3.906 4.078 . 0 0 "[ . 1 . 2]" 1
224 1 139 SER HB3 1 140 ASP H . . 4.010 3.491 3.044 4.220 0.210 16 0 "[ . 1 . 2]" 1
225 1 140 ASP H 1 141 HIS H . . 3.730 2.869 2.793 2.956 . 0 0 "[ . 1 . 2]" 1
226 1 139 SER HB2 1 140 ASP H . . 4.240 3.953 2.877 4.259 0.019 2 0 "[ . 1 . 2]" 1
227 1 140 ASP H 1 140 ASP HB2 . . 3.340 2.268 2.091 2.464 . 0 0 "[ . 1 . 2]" 1
228 1 139 SER H 1 140 ASP H . . 3.910 2.826 2.786 2.896 . 0 0 "[ . 1 . 2]" 1
229 1 139 SER HA 1 140 ASP H . . 4.440 3.500 3.491 3.519 . 0 0 "[ . 1 . 2]" 1
230 1 137 GLU HA 1 140 ASP H . . 4.040 3.683 3.626 3.739 . 0 0 "[ . 1 . 2]" 1
231 1 140 ASP HB3 1 141 HIS H . . 3.910 2.360 2.245 2.628 . 0 0 "[ . 1 . 2]" 1
232 1 138 PHE HA 1 141 HIS H . . 4.430 3.527 3.453 3.617 . 0 0 "[ . 1 . 2]" 1
233 1 140 ASP HA 1 141 HIS H . . 4.410 3.562 3.550 3.568 . 0 0 "[ . 1 . 2]" 1
234 1 141 HIS H 1 141 HIS QB . . 3.210 2.211 2.106 2.529 . 0 0 "[ . 1 . 2]" 1
235 1 141 HIS H 1 143 TRP H . . 4.510 4.309 4.235 4.377 . 0 0 "[ . 1 . 2]" 1
236 1 140 ASP HB2 1 141 HIS H . . 3.910 3.536 3.300 3.813 . 0 0 "[ . 1 . 2]" 1
237 1 138 PHE QD 1 141 HIS H . . 4.700 3.717 3.585 3.848 . 0 0 "[ . 1 . 2]" 1
238 1 138 PHE HB3 1 141 HIS H . . 5.500 5.526 5.447 5.669 0.169 5 0 "[ . 1 . 2]" 1
239 1 141 HIS H 1 142 PHE H . . 3.720 2.375 2.347 2.421 . 0 0 "[ . 1 . 2]" 1
240 1 68 ALA H 1 68 ALA MB . . 3.470 2.648 2.412 2.800 . 0 0 "[ . 1 . 2]" 1
241 1 67 THR H 1 68 ALA H . . 4.030 2.590 2.357 2.681 . 0 0 "[ . 1 . 2]" 1
242 1 67 THR MG 1 68 ALA H . . 4.730 4.377 4.227 4.460 . 0 0 "[ . 1 . 2]" 1
243 1 67 THR HA 1 68 ALA H . . 4.400 3.162 3.076 3.460 . 0 0 "[ . 1 . 2]" 1
244 1 95 PHE HB2 1 96 GLY H . . 4.330 2.458 2.293 2.535 . 0 0 "[ . 1 . 2]" 1
245 1 96 GLY H 1 150 PHE H . . 5.000 5.115 5.072 5.141 0.141 13 0 "[ . 1 . 2]" 1
246 1 96 GLY H 1 148 ILE MG . . 3.940 3.493 3.240 3.613 . 0 0 "[ . 1 . 2]" 1
247 1 95 PHE QD 1 96 GLY H . . 4.630 3.368 2.879 3.541 . 0 0 "[ . 1 . 2]" 1
248 1 95 PHE HB3 1 96 GLY H . . 4.790 3.851 3.748 3.899 . 0 0 "[ . 1 . 2]" 1
249 1 96 GLY H 1 152 LEU MD2 . . 4.500 4.196 3.629 4.506 0.006 4 0 "[ . 1 . 2]" 1
250 1 96 GLY H 1 97 GLU H . . 4.500 4.376 4.354 4.406 . 0 0 "[ . 1 . 2]" 1
251 1 95 PHE HA 1 96 GLY H . . 3.630 2.426 2.390 2.509 . 0 0 "[ . 1 . 2]" 1
252 1 96 GLY H 1 152 LEU MD1 . . 4.790 4.022 3.629 4.937 0.147 14 0 "[ . 1 . 2]" 1
253 1 150 PHE HB2 1 151 ASN H . . 4.500 4.334 4.132 4.488 . 0 0 "[ . 1 . 2]" 1
254 1 151 ASN H 1 151 ASN HD22 . . 5.500 5.345 5.118 5.766 0.266 14 0 "[ . 1 . 2]" 1
255 1 150 PHE HA 1 151 ASN H . . 3.300 2.172 2.142 2.236 . 0 0 "[ . 1 . 2]" 1
256 1 151 ASN H 1 151 ASN HD21 . . 4.480 4.122 3.571 4.575 0.095 14 0 "[ . 1 . 2]" 1
257 1 151 ASN H 1 151 ASN HB2 . . 4.090 2.389 2.249 2.620 . 0 0 "[ . 1 . 2]" 1
258 1 150 PHE HB3 1 151 ASN H . . 4.090 3.843 3.384 4.111 0.021 14 0 "[ . 1 . 2]" 1
259 1 151 ASN H 1 151 ASN HB3 . . 4.090 3.264 2.688 3.576 . 0 0 "[ . 1 . 2]" 1
260 1 148 ILE MG 1 151 ASN H . . 4.530 3.789 3.549 4.024 . 0 0 "[ . 1 . 2]" 1
261 1 146 LEU HA 1 147 GLU H . . 3.570 2.218 2.143 2.295 . 0 0 "[ . 1 . 2]" 1
262 1 147 GLU H 1 147 GLU QB . . 3.850 2.944 2.611 3.323 . 0 0 "[ . 1 . 2]" 1
263 1 146 LEU MD1 1 147 GLU H . . 3.920 2.806 1.906 3.945 0.025 14 0 "[ . 1 . 2]" 1
264 1 147 GLU H 1 148 ILE H . . 4.880 3.884 3.399 4.358 . 0 0 "[ . 1 . 2]" 1
265 1 147 GLU H 1 147 GLU HG3 . . 4.630 3.650 2.632 4.625 . 0 0 "[ . 1 . 2]" 1
266 1 146 LEU H 1 147 GLU H . . 4.500 4.541 4.376 4.616 0.116 5 0 "[ . 1 . 2]" 1
267 1 147 GLU H 1 147 GLU HG2 . . 4.590 3.332 2.025 4.582 . 0 0 "[ . 1 . 2]" 1
268 1 66 LEU HA 1 67 THR H . . 4.460 2.348 2.259 2.405 . 0 0 "[ . 1 . 2]" 1
269 1 67 THR H 1 67 THR MG . . 4.390 2.943 2.549 3.182 . 0 0 "[ . 1 . 2]" 1
270 1 116 THR MG 1 117 TYR H . . 3.940 3.285 3.168 3.475 . 0 0 "[ . 1 . 2]" 1
271 1 117 TYR H 1 117 TYR HB2 . . 3.750 2.560 2.213 3.604 . 0 0 "[ . 1 . 2]" 1
272 1 116 THR HB 1 117 TYR H . . 4.000 3.783 3.735 3.827 . 0 0 "[ . 1 . 2]" 1
273 1 117 TYR H 1 117 TYR HB3 . . 3.750 2.942 2.505 3.601 . 0 0 "[ . 1 . 2]" 1
274 1 116 THR H 1 117 TYR H . . 4.620 4.426 4.394 4.438 . 0 0 "[ . 1 . 2]" 1
275 1 117 TYR H 1 117 TYR QD . . 3.870 3.279 1.924 3.926 0.056 8 0 "[ . 1 . 2]" 1
276 1 116 THR HA 1 117 TYR H . . 3.610 2.421 2.383 2.446 . 0 0 "[ . 1 . 2]" 1
277 1 117 TYR H 1 118 CYS H . . 4.510 4.419 4.405 4.434 . 0 0 "[ . 1 . 2]" 1
278 1 153 ARG H 1 153 ARG QD . . 5.400 5.036 3.919 5.342 . 0 0 "[ . 1 . 2]" 1
279 1 153 ARG H 1 153 ARG HB2 . . 3.720 3.063 2.943 3.130 . 0 0 "[ . 1 . 2]" 1
280 1 153 ARG H 1 153 ARG QG . . 4.150 4.076 3.913 4.256 0.106 16 0 "[ . 1 . 2]" 1
281 1 153 ARG H 1 153 ARG HB3 . . 3.730 3.702 3.468 3.763 0.033 1 0 "[ . 1 . 2]" 1
282 1 152 LEU MD2 1 153 ARG H . . 4.490 4.370 2.977 4.535 0.045 4 0 "[ . 1 . 2]" 1
283 1 127 ASP H 1 127 ASP HB2 . . 4.240 2.687 2.292 3.003 . 0 0 "[ . 1 . 2]" 1
284 1 126 ASP QB 1 127 ASP H . . 4.110 2.427 2.262 2.717 . 0 0 "[ . 1 . 2]" 1
285 1 124 HIS HB3 1 127 ASP H . . 4.440 3.671 2.613 4.658 0.218 17 0 "[ . 1 . 2]" 1
286 1 127 ASP H 1 127 ASP HB3 . . 4.310 3.122 2.159 3.591 . 0 0 "[ . 1 . 2]" 1
287 1 127 ASP H 1 129 LEU H . . 4.280 4.347 4.212 4.398 0.118 20 0 "[ . 1 . 2]" 1
288 1 126 ASP HA 1 127 ASP H . . 4.020 3.556 3.527 3.567 . 0 0 "[ . 1 . 2]" 1
289 1 124 HIS HB2 1 127 ASP H . . 3.990 2.996 2.592 3.723 . 0 0 "[ . 1 . 2]" 1
290 1 47 LYS QE 1 127 ASP H . . 4.310 4.278 3.925 4.404 0.094 15 0 "[ . 1 . 2]" 1
291 1 127 ASP H 1 128 LEU H . . 3.520 2.721 2.637 2.874 . 0 0 "[ . 1 . 2]" 1
292 1 85 VAL HA 1 86 VAL H . . 3.510 2.217 2.208 2.254 . 0 0 "[ . 1 . 2]" 1
293 1 85 VAL MG2 1 86 VAL H . . 4.500 4.119 4.089 4.146 . 0 0 "[ . 1 . 2]" 1
294 1 80 LEU HA 1 86 VAL H . . 3.660 3.722 3.691 3.766 0.106 20 0 "[ . 1 . 2]" 1
295 1 86 VAL H 1 86 VAL MG1 . . 3.580 3.230 3.206 3.254 . 0 0 "[ . 1 . 2]" 1
296 1 85 VAL MG1 1 86 VAL H . . 4.080 3.394 3.188 3.475 . 0 0 "[ . 1 . 2]" 1
297 1 86 VAL H 1 87 ALA H . . 3.140 2.976 2.948 3.003 . 0 0 "[ . 1 . 2]" 1
298 1 86 VAL H 1 86 VAL MG2 . . 3.930 1.724 1.716 1.733 . 0 0 "[ . 1 . 2]" 1
299 1 74 ARG H 1 74 ARG HG3 . . 4.880 4.689 4.487 4.844 . 0 0 "[ . 1 . 2]" 1
300 1 74 ARG H 1 74 ARG HG2 . . 4.790 4.605 3.041 4.778 . 0 0 "[ . 1 . 2]" 1
301 1 73 SER H 1 74 ARG H . . 3.800 2.322 2.074 2.474 . 0 0 "[ . 1 . 2]" 1
302 1 72 ILE MG 1 74 ARG H . . 3.840 2.185 1.942 2.668 . 0 0 "[ . 1 . 2]" 1
303 1 74 ARG H 1 118 CYS HA . . 4.740 4.479 4.211 4.764 0.024 19 0 "[ . 1 . 2]" 1
304 1 73 SER HA 1 74 ARG H . . 4.790 3.522 3.501 3.548 . 0 0 "[ . 1 . 2]" 1
305 1 105 PRO HA 1 106 GLY H . . 3.540 2.516 2.248 2.642 . 0 0 "[ . 1 . 2]" 1
306 1 105 PRO HB3 1 106 GLY H . . 4.220 3.343 3.213 3.706 . 0 0 "[ . 1 . 2]" 1
307 1 105 PRO HB2 1 106 GLY H . . 4.560 2.363 2.076 3.066 . 0 0 "[ . 1 . 2]" 1
308 1 66 LEU MD1 1 106 GLY H . . 4.600 4.209 3.829 4.866 0.266 13 0 "[ . 1 . 2]" 1
309 1 38 LYS H 1 38 LYS QD . . 3.690 3.292 2.021 3.710 0.020 14 0 "[ . 1 . 2]" 1
310 1 65 LEU HB3 1 66 LEU H . . 4.510 4.143 3.908 4.275 . 0 0 "[ . 1 . 2]" 1
311 1 66 LEU H 1 66 LEU HG . . 4.060 2.680 2.190 4.146 0.086 13 0 "[ . 1 . 2]" 1
312 1 66 LEU H 1 66 LEU HB2 . . 4.200 2.743 2.549 3.018 . 0 0 "[ . 1 . 2]" 1
313 1 66 LEU H 1 66 LEU MD2 . . 4.340 3.666 2.278 4.203 . 0 0 "[ . 1 . 2]" 1
314 1 65 LEU H 1 66 LEU H . . 4.500 4.588 4.558 4.634 0.134 18 0 "[ . 1 . 2]" 1
315 1 65 LEU HA 1 66 LEU H . . 3.410 2.192 2.158 2.291 . 0 0 "[ . 1 . 2]" 1
316 1 66 LEU H 1 66 LEU MD1 . . 4.420 3.007 1.912 3.648 . 0 0 "[ . 1 . 2]" 1
317 1 65 LEU HB2 1 66 LEU H . . 4.060 4.028 3.856 4.114 0.054 16 0 "[ . 1 . 2]" 1
318 1 47 LYS H 1 47 LYS QD . . 4.620 3.220 2.039 4.606 . 0 0 "[ . 1 . 2]" 1
319 1 46 MET HA 1 47 LYS H . . 4.540 3.530 3.409 3.557 . 0 0 "[ . 1 . 2]" 1
320 1 47 LYS H 1 47 LYS QG . . 4.370 2.784 1.968 3.786 . 0 0 "[ . 1 . 2]" 1
321 1 47 LYS H 1 47 LYS HB2 . . 3.770 2.593 2.182 3.644 . 0 0 "[ . 1 . 2]" 1
322 1 46 MET H 1 47 LYS H . . 3.440 2.536 2.202 2.690 . 0 0 "[ . 1 . 2]" 1
323 1 47 LYS H 1 47 LYS QE . . 4.780 4.290 3.809 4.830 0.050 1 0 "[ . 1 . 2]" 1
324 1 47 LYS H 1 47 LYS HB3 . . 3.800 3.532 2.900 3.735 . 0 0 "[ . 1 . 2]" 1
325 1 46 MET QB 1 47 LYS H . . 3.920 2.669 2.390 3.651 . 0 0 "[ . 1 . 2]" 1
326 1 44 LEU HA 1 47 LYS H . . 4.390 3.400 3.181 3.745 . 0 0 "[ . 1 . 2]" 1
327 1 150 PHE H 1 150 PHE QD . . 5.210 4.254 3.800 4.398 . 0 0 "[ . 1 . 2]" 1
328 1 149 THR HA 1 150 PHE H . . 4.600 3.491 3.482 3.503 . 0 0 "[ . 1 . 2]" 1
329 1 149 THR MG 1 150 PHE H . . 4.550 3.510 3.394 3.679 . 0 0 "[ . 1 . 2]" 1
330 1 150 PHE H 1 150 PHE HB3 . . 4.390 2.991 2.754 3.408 . 0 0 "[ . 1 . 2]" 1
331 1 149 THR HB 1 150 PHE H . . 4.050 2.901 2.836 2.969 . 0 0 "[ . 1 . 2]" 1
332 1 94 ILE MG 1 150 PHE H . . 4.000 3.878 3.778 3.945 . 0 0 "[ . 1 . 2]" 1
333 1 95 PHE HA 1 150 PHE H . . 4.280 3.283 3.186 3.352 . 0 0 "[ . 1 . 2]" 1
334 1 87 ALA H 1 87 ALA MB . . 3.310 2.971 2.965 2.977 . 0 0 "[ . 1 . 2]" 1
335 1 86 VAL HB 1 87 ALA H . . 4.460 2.137 2.113 2.162 . 0 0 "[ . 1 . 2]" 1
336 1 85 VAL HA 1 87 ALA H . . 5.000 5.120 5.105 5.182 0.182 19 0 "[ . 1 . 2]" 1
337 1 86 VAL MG1 1 87 ALA H . . 4.500 3.658 3.653 3.666 . 0 0 "[ . 1 . 2]" 1
338 1 86 VAL MG2 1 87 ALA H . . 3.500 1.864 1.845 1.887 . 0 0 "[ . 1 . 2]" 1
339 1 86 VAL HA 1 87 ALA H . . 4.300 3.525 3.524 3.527 . 0 0 "[ . 1 . 2]" 1
340 1 107 LYS HG2 1 108 SER H . . 4.200 3.889 3.511 4.347 0.147 9 0 "[ . 1 . 2]" 1
341 1 107 LYS HB3 1 108 SER H . . 4.040 2.698 2.099 3.666 . 0 0 "[ . 1 . 2]" 1
342 1 107 LYS HA 1 108 SER H . . 3.610 2.369 2.177 2.572 . 0 0 "[ . 1 . 2]" 1
343 1 108 SER H 1 108 SER HB2 . . 4.150 2.899 2.180 3.594 . 0 0 "[ . 1 . 2]" 1
344 1 66 LEU MD2 1 108 SER H . . 4.400 4.295 3.342 4.536 0.136 9 0 "[ . 1 . 2]" 1
345 1 63 GLY H 1 108 SER H . . 4.340 3.011 2.521 3.759 . 0 0 "[ . 1 . 2]" 1
346 1 108 SER H 1 108 SER HB3 . . 4.030 3.185 2.514 3.553 . 0 0 "[ . 1 . 2]" 1
347 1 66 LEU MD1 1 108 SER H . . 4.530 3.662 2.253 4.552 0.022 17 0 "[ . 1 . 2]" 1
348 1 107 LYS HG3 1 108 SER H . . 4.100 4.021 3.938 4.108 0.008 6 0 "[ . 1 . 2]" 1
349 1 41 LEU HB3 1 42 ARG H . . 4.300 2.842 2.725 2.915 . 0 0 "[ . 1 . 2]" 1
350 1 41 LEU HB2 1 42 ARG H . . 4.000 4.096 4.026 4.136 0.136 17 0 "[ . 1 . 2]" 1
351 1 42 ARG H 1 42 ARG QD . . 4.660 3.291 2.261 4.275 . 0 0 "[ . 1 . 2]" 1
352 1 41 LEU HG 1 42 ARG H . . 4.970 3.819 3.411 4.500 . 0 0 "[ . 1 . 2]" 1
353 1 42 ARG H 1 42 ARG QB . . 3.310 2.157 2.039 2.595 . 0 0 "[ . 1 . 2]" 1
354 1 41 LEU MD2 1 42 ARG H . . 4.420 3.820 2.859 4.418 . 0 0 "[ . 1 . 2]" 1
355 1 42 ARG H 1 43 ALA H . . 3.420 2.799 2.705 2.882 . 0 0 "[ . 1 . 2]" 1
356 1 41 LEU HA 1 42 ARG H . . 4.450 3.506 3.485 3.525 . 0 0 "[ . 1 . 2]" 1
357 1 41 LEU H 1 42 ARG H . . 3.060 2.790 2.768 2.815 . 0 0 "[ . 1 . 2]" 1
358 1 42 ARG H 1 42 ARG HG3 . . 4.390 4.195 3.608 4.413 0.023 10 0 "[ . 1 . 2]" 1
359 1 42 ARG H 1 42 ARG HG2 . . 4.060 3.505 2.109 3.896 . 0 0 "[ . 1 . 2]" 1
360 1 41 LEU MD1 1 42 ARG H . . 5.500 4.535 4.246 4.904 . 0 0 "[ . 1 . 2]" 1
361 1 80 LEU H 1 80 LEU HG . . 4.460 3.748 3.695 3.802 . 0 0 "[ . 1 . 2]" 1
362 1 79 ILE MG 1 80 LEU H . . 3.840 3.075 2.957 3.231 . 0 0 "[ . 1 . 2]" 1
363 1 80 LEU H 1 80 LEU MD1 . . 4.090 2.107 1.911 2.336 . 0 0 "[ . 1 . 2]" 1
364 1 79 ILE HA 1 80 LEU H . . 3.370 2.175 2.164 2.186 . 0 0 "[ . 1 . 2]" 1
365 1 79 ILE MD 1 80 LEU H . . 5.250 5.371 5.335 5.419 0.169 12 0 "[ . 1 . 2]" 1
366 1 80 LEU H 1 111 ASP H . . 3.930 3.730 3.569 3.865 . 0 0 "[ . 1 . 2]" 1
367 1 80 LEU H 1 81 ARG H . . 4.500 4.270 4.266 4.273 . 0 0 "[ . 1 . 2]" 1
368 1 80 LEU H 1 80 LEU MD2 . . 4.090 4.127 4.103 4.156 0.066 9 0 "[ . 1 . 2]" 1
369 1 128 LEU MD1 1 143 TRP HE1 . . 4.240 4.306 4.264 4.358 0.118 16 0 "[ . 1 . 2]" 1
370 1 132 LEU MD2 1 143 TRP HE1 . . 4.070 2.412 1.864 3.185 . 0 0 "[ . 1 . 2]" 1
371 1 142 PHE QD 1 143 TRP HE1 . . 4.620 2.927 2.721 3.067 . 0 0 "[ . 1 . 2]" 1
372 1 132 LEU HG 1 143 TRP HE1 . . 4.980 4.219 3.251 4.984 0.004 4 0 "[ . 1 . 2]" 1
373 1 143 TRP H 1 143 TRP HE1 . . 4.980 4.986 4.831 5.060 0.080 17 0 "[ . 1 . 2]" 1
374 1 132 LEU MD1 1 143 TRP HE1 . . 3.500 2.518 1.866 3.533 0.033 14 0 "[ . 1 . 2]" 1
375 1 44 LEU H 1 44 LEU QB . . 3.640 2.323 2.230 2.418 . 0 0 "[ . 1 . 2]" 1
376 1 44 LEU H 1 131 VAL MG1 . . 4.020 3.364 3.028 3.781 . 0 0 "[ . 1 . 2]" 1
377 1 44 LEU H 1 44 LEU HG . . 3.610 2.694 2.427 2.875 . 0 0 "[ . 1 . 2]" 1
378 1 44 LEU H 1 44 LEU MD2 . . 4.080 4.041 3.854 4.135 0.055 8 0 "[ . 1 . 2]" 1
379 1 43 ALA H 1 44 LEU H . . 3.570 2.483 2.425 2.548 . 0 0 "[ . 1 . 2]" 1
380 1 41 LEU HA 1 44 LEU H . . 4.810 3.410 3.270 3.517 . 0 0 "[ . 1 . 2]" 1
381 1 43 ALA HA 1 44 LEU H . . 4.770 3.552 3.531 3.564 . 0 0 "[ . 1 . 2]" 1
382 1 44 LEU H 1 44 LEU MD1 . . 4.050 2.877 2.647 3.073 . 0 0 "[ . 1 . 2]" 1
383 1 44 LEU H 1 45 ALA H . . 3.490 2.827 2.645 2.915 . 0 0 "[ . 1 . 2]" 1
384 1 43 ALA MB 1 44 LEU H . . 3.620 2.488 2.317 2.688 . 0 0 "[ . 1 . 2]" 1
385 1 137 GLU H 1 137 GLU HG2 . . 4.430 3.597 1.937 4.481 0.051 7 0 "[ . 1 . 2]" 1
386 1 136 PRO HB3 1 137 GLU H . . 4.500 4.331 4.183 4.425 . 0 0 "[ . 1 . 2]" 1
387 1 137 GLU H 1 138 PHE H . . 4.000 2.874 2.746 2.944 . 0 0 "[ . 1 . 2]" 1
388 1 137 GLU H 1 137 GLU QB . . 3.700 2.313 2.045 2.566 . 0 0 "[ . 1 . 2]" 1
389 1 136 PRO HD3 1 137 GLU H . . 4.440 3.899 3.843 3.957 . 0 0 "[ . 1 . 2]" 1
390 1 137 GLU H 1 139 SER H . . 5.270 4.387 4.198 4.662 . 0 0 "[ . 1 . 2]" 1
391 1 137 GLU H 1 137 GLU HG3 . . 4.340 3.848 2.418 4.407 0.067 12 0 "[ . 1 . 2]" 1
392 1 33 PHE HB2 1 34 ARG H . . 4.910 4.557 4.448 4.612 . 0 0 "[ . 1 . 2]" 1
393 1 34 ARG H 1 34 ARG QG . . 4.180 3.565 2.203 4.069 . 0 0 "[ . 1 . 2]" 1
394 1 33 PHE HA 1 34 ARG H . . 4.250 2.809 2.773 2.843 . 0 0 "[ . 1 . 2]" 1
395 1 34 ARG H 1 34 ARG HD2 . . 5.120 4.740 3.724 5.165 0.045 7 0 "[ . 1 . 2]" 1
396 1 34 ARG H 1 34 ARG HB3 . . 4.340 3.017 2.491 3.590 . 0 0 "[ . 1 . 2]" 1
397 1 33 PHE HB3 1 34 ARG H . . 4.960 4.203 4.170 4.233 . 0 0 "[ . 1 . 2]" 1
398 1 34 ARG H 1 34 ARG HD3 . . 5.310 4.720 4.401 5.226 . 0 0 "[ . 1 . 2]" 1
399 1 34 ARG H 1 34 ARG HB2 . . 4.030 2.313 2.077 2.583 . 0 0 "[ . 1 . 2]" 1
400 1 137 GLU HG2 1 138 PHE H . . 4.710 3.829 2.439 4.736 0.026 3 0 "[ . 1 . 2]" 1
401 1 135 TYR HB3 1 138 PHE H . . 4.640 3.399 3.180 3.609 . 0 0 "[ . 1 . 2]" 1
402 1 138 PHE H 1 138 PHE HB2 . . 3.880 2.259 2.161 2.524 . 0 0 "[ . 1 . 2]" 1
403 1 137 GLU QB 1 138 PHE H . . 3.830 2.554 2.239 3.301 . 0 0 "[ . 1 . 2]" 1
404 1 138 PHE H 1 139 SER H . . 3.570 2.827 2.715 2.924 . 0 0 "[ . 1 . 2]" 1
405 1 138 PHE H 1 138 PHE QD . . 4.380 4.102 4.073 4.160 . 0 0 "[ . 1 . 2]" 1
406 1 137 GLU HG3 1 138 PHE H . . 4.710 3.874 2.027 4.725 0.015 7 0 "[ . 1 . 2]" 1
407 1 138 PHE H 1 138 PHE HB3 . . 3.870 2.859 2.540 2.984 . 0 0 "[ . 1 . 2]" 1
408 1 137 GLU HA 1 138 PHE H . . 4.150 3.552 3.511 3.568 . 0 0 "[ . 1 . 2]" 1
409 1 77 ILE HA 1 78 GLU H . . 3.770 2.298 2.280 2.333 . 0 0 "[ . 1 . 2]" 1
410 1 77 ILE HB 1 78 GLU H . . 4.080 3.922 3.886 3.947 . 0 0 "[ . 1 . 2]" 1
411 1 77 ILE MG 1 78 GLU H . . 4.170 3.595 3.414 3.648 . 0 0 "[ . 1 . 2]" 1
412 1 78 GLU H 1 114 ALA HA . . 4.540 2.988 2.930 3.037 . 0 0 "[ . 1 . 2]" 1
413 1 77 ILE H 1 78 GLU H . . 4.740 4.411 4.399 4.428 . 0 0 "[ . 1 . 2]" 1
414 1 77 ILE MD 1 78 GLU H . . 4.440 3.584 3.544 3.621 . 0 0 "[ . 1 . 2]" 1
415 1 78 GLU H 1 78 GLU QG . . 3.960 3.150 2.116 3.999 0.039 13 0 "[ . 1 . 2]" 1
416 1 94 ILE H 1 94 ILE HB . . 4.120 2.804 2.763 2.839 . 0 0 "[ . 1 . 2]" 1
417 1 93 ASP QB 1 94 ILE H . . 4.640 4.042 3.972 4.063 . 0 0 "[ . 1 . 2]" 1
418 1 94 ILE H 1 94 ILE MD . . 4.260 4.372 4.353 4.408 0.148 9 0 "[ . 1 . 2]" 1
419 1 93 ASP HA 1 94 ILE H . . 3.740 2.750 2.651 2.844 . 0 0 "[ . 1 . 2]" 1
420 1 94 ILE H 1 149 THR HB . . 4.480 3.308 3.159 3.453 . 0 0 "[ . 1 . 2]" 1
421 1 94 ILE H 1 94 ILE MG . . 4.530 1.967 1.929 2.013 . 0 0 "[ . 1 . 2]" 1
422 1 45 ALA MB 1 46 MET H . . 3.800 2.763 2.193 2.865 . 0 0 "[ . 1 . 2]" 1
423 1 46 MET H 1 46 MET HG2 . . 4.500 3.886 1.949 4.534 0.034 14 0 "[ . 1 . 2]" 1
424 1 45 ALA HA 1 46 MET H . . 4.580 3.489 3.465 3.573 . 0 0 "[ . 1 . 2]" 1
425 1 43 ALA HA 1 46 MET H . . 4.500 3.550 3.358 3.691 . 0 0 "[ . 1 . 2]" 1
426 1 46 MET H 1 46 MET HG3 . . 4.500 3.868 2.041 4.570 0.070 16 0 "[ . 1 . 2]" 1
427 1 42 ARG HA 1 46 MET H . . 4.920 4.693 4.120 5.079 0.159 9 0 "[ . 1 . 2]" 1
428 1 46 MET H 1 46 MET QB . . 3.320 2.319 2.069 2.856 . 0 0 "[ . 1 . 2]" 1
429 1 45 ALA H 1 46 MET H . . 3.900 2.709 2.532 2.787 . 0 0 "[ . 1 . 2]" 1
430 1 46 MET H 1 46 MET ME . . 4.340 3.996 3.103 4.317 . 0 0 "[ . 1 . 2]" 1
431 1 99 LEU QB 1 100 ASN H . . 4.890 2.906 2.607 3.498 . 0 0 "[ . 1 . 2]" 1
432 1 99 LEU HA 1 100 ASN H . . 4.290 3.509 3.478 3.526 . 0 0 "[ . 1 . 2]" 1
433 1 100 ASN H 1 101 LEU H . . 3.650 2.694 2.524 2.935 . 0 0 "[ . 1 . 2]" 1
434 1 100 ASN H 1 100 ASN QB . . 3.880 2.233 2.088 2.370 . 0 0 "[ . 1 . 2]" 1
435 1 148 ILE H 1 149 THR H . . 4.500 4.542 4.509 4.590 0.090 7 0 "[ . 1 . 2]" 1
436 1 148 ILE H 1 148 ILE QG . . 4.200 2.496 2.358 2.658 . 0 0 "[ . 1 . 2]" 1
437 1 147 GLU QB 1 148 ILE H . . 4.560 3.488 3.050 3.851 . 0 0 "[ . 1 . 2]" 1
438 1 148 ILE H 1 148 ILE HB . . 3.540 2.347 2.286 2.406 . 0 0 "[ . 1 . 2]" 1
439 1 148 ILE H 1 148 ILE MD . . 4.320 3.469 3.173 3.558 . 0 0 "[ . 1 . 2]" 1
440 1 147 GLU HA 1 148 ILE H . . 3.250 2.212 2.140 2.280 . 0 0 "[ . 1 . 2]" 1
441 1 148 ILE H 1 148 ILE MG . . 4.200 3.711 3.676 3.739 . 0 0 "[ . 1 . 2]" 1
442 1 58 THR MG 1 59 LEU H . . 4.390 2.919 2.863 2.977 . 0 0 "[ . 1 . 2]" 1
443 1 53 ALA MB 1 59 LEU H . . 4.230 4.382 4.335 4.408 0.178 6 0 "[ . 1 . 2]" 1
444 1 59 LEU H 1 59 LEU HG . . 4.080 3.982 3.942 4.017 . 0 0 "[ . 1 . 2]" 1
445 1 59 LEU H 1 113 ARG HA . . 4.510 2.822 2.745 2.888 . 0 0 "[ . 1 . 2]" 1
446 1 58 THR H 1 59 LEU H . . 4.530 4.343 4.299 4.387 . 0 0 "[ . 1 . 2]" 1
447 1 58 THR HA 1 59 LEU H . . 3.860 2.146 2.142 2.153 . 0 0 "[ . 1 . 2]" 1
448 1 59 LEU H 1 59 LEU MD2 . . 4.660 1.880 1.850 1.939 . 0 0 "[ . 1 . 2]" 1
449 1 59 LEU H 1 59 LEU MD1 . . 4.660 3.394 3.305 3.464 . 0 0 "[ . 1 . 2]" 1
450 1 59 LEU H 1 60 VAL H . . 3.860 2.468 2.408 2.533 . 0 0 "[ . 1 . 2]" 1
451 1 128 LEU QB 1 129 LEU H . . 3.800 2.460 2.321 2.548 . 0 0 "[ . 1 . 2]" 1
452 1 126 ASP HA 1 129 LEU H . . 4.850 3.766 3.663 3.854 . 0 0 "[ . 1 . 2]" 1
453 1 128 LEU H 1 129 LEU H . . 4.070 2.806 2.758 2.862 . 0 0 "[ . 1 . 2]" 1
454 1 129 LEU H 1 129 LEU MD1 . . 4.000 4.069 4.026 4.118 0.118 16 0 "[ . 1 . 2]" 1
455 1 68 ALA MB 1 69 LEU H . . 3.730 2.870 2.506 2.914 . 0 0 "[ . 1 . 2]" 1
456 1 69 LEU H 1 69 LEU HG . . 4.880 1.888 1.744 2.923 . 0 0 "[ . 1 . 2]" 1
457 1 69 LEU H 1 69 LEU MD1 . . 4.840 3.437 1.915 3.548 . 0 0 "[ . 1 . 2]" 1
458 1 68 ALA HA 1 69 LEU H . . 3.970 2.206 2.190 2.340 . 0 0 "[ . 1 . 2]" 1
459 1 55 PRO HA 1 56 GLY H . . 3.210 2.250 2.240 2.262 . 0 0 "[ . 1 . 2]" 1
460 1 56 GLY H 1 114 ALA MB . . 3.650 3.341 3.197 3.477 . 0 0 "[ . 1 . 2]" 1
461 1 55 PRO QD 1 56 GLY H . . 4.800 4.722 4.704 4.737 . 0 0 "[ . 1 . 2]" 1
462 1 42 ARG QD 1 43 ALA H . . 4.300 4.293 4.154 4.421 0.121 13 0 "[ . 1 . 2]" 1
463 1 40 CYS HA 1 43 ALA H . . 4.710 3.400 3.318 3.477 . 0 0 "[ . 1 . 2]" 1
464 1 42 ARG QB 1 43 ALA H . . 3.510 2.575 2.429 2.669 . 0 0 "[ . 1 . 2]" 1
465 1 43 ALA H 1 131 VAL MG1 . . 4.410 4.357 3.726 4.480 0.070 6 0 "[ . 1 . 2]" 1
466 1 41 LEU HA 1 43 ALA H . . 4.610 4.328 4.229 4.417 . 0 0 "[ . 1 . 2]" 1
467 1 41 LEU H 1 43 ALA H . . 4.470 4.514 4.445 4.583 0.113 7 0 "[ . 1 . 2]" 1
468 1 42 ARG HA 1 43 ALA H . . 4.020 3.548 3.534 3.555 . 0 0 "[ . 1 . 2]" 1
469 1 43 ALA H 1 43 ALA MB . . 2.970 2.212 2.090 2.281 . 0 0 "[ . 1 . 2]" 1
470 1 115 LEU H 1 115 LEU HB3 . . 4.010 3.570 3.548 3.585 . 0 0 "[ . 1 . 2]" 1
471 1 115 LEU H 1 115 LEU HG . . 4.560 3.010 2.925 3.113 . 0 0 "[ . 1 . 2]" 1
472 1 115 LEU H 1 115 LEU HB2 . . 4.130 2.300 2.266 2.323 . 0 0 "[ . 1 . 2]" 1
473 1 77 ILE HA 1 115 LEU H . . 4.140 1.941 1.904 1.963 . 0 0 "[ . 1 . 2]" 1
474 1 114 ALA MB 1 115 LEU H . . 4.210 2.873 2.859 2.898 . 0 0 "[ . 1 . 2]" 1
475 1 115 LEU H 1 116 THR H . . 3.270 2.374 2.313 2.429 . 0 0 "[ . 1 . 2]" 1
476 1 115 LEU H 1 115 LEU MD2 . . 4.990 4.149 4.029 4.246 . 0 0 "[ . 1 . 2]" 1
477 1 76 SER H 1 115 LEU H . . 5.000 4.648 4.459 4.906 . 0 0 "[ . 1 . 2]" 1
478 1 115 LEU H 1 115 LEU MD1 . . 4.580 3.403 3.262 3.641 . 0 0 "[ . 1 . 2]" 1
479 1 114 ALA H 1 115 LEU H . . 4.620 4.624 4.621 4.626 0.006 16 0 "[ . 1 . 2]" 1
480 1 114 ALA HA 1 115 LEU H . . 3.700 2.236 2.227 2.240 . 0 0 "[ . 1 . 2]" 1
481 1 72 ILE HA 1 73 SER H . . 4.390 2.179 2.149 2.224 . 0 0 "[ . 1 . 2]" 1
482 1 72 ILE MG 1 73 SER H . . 4.800 2.460 2.252 2.606 . 0 0 "[ . 1 . 2]" 1
483 1 101 LEU H 1 101 LEU MD1 . . 3.740 3.413 2.740 3.740 . 0 0 "[ . 1 . 2]" 1
484 1 100 ASN QB 1 101 LEU H . . 4.040 2.582 2.260 3.466 . 0 0 "[ . 1 . 2]" 1
485 1 41 LEU H 1 41 LEU HB3 . . 4.260 2.353 2.289 2.443 . 0 0 "[ . 1 . 2]" 1
486 1 41 LEU H 1 41 LEU HB2 . . 3.840 2.673 2.571 2.749 . 0 0 "[ . 1 . 2]" 1
487 1 40 CYS HA 1 41 LEU H . . 4.750 3.453 3.417 3.482 . 0 0 "[ . 1 . 2]" 1
488 1 41 LEU H 1 41 LEU HG . . 4.500 4.395 4.312 4.489 . 0 0 "[ . 1 . 2]" 1
489 1 41 LEU H 1 41 LEU MD2 . . 4.490 4.106 3.941 4.186 . 0 0 "[ . 1 . 2]" 1
490 1 36 ALA HA 1 41 LEU H . . 4.130 4.220 4.147 4.349 0.219 18 0 "[ . 1 . 2]" 1
491 1 40 CYS HB2 1 41 LEU H . . 4.440 3.011 2.885 3.138 . 0 0 "[ . 1 . 2]" 1
492 1 41 LEU H 1 41 LEU MD1 . . 4.490 4.219 4.191 4.256 . 0 0 "[ . 1 . 2]" 1
493 1 40 CYS HB3 1 41 LEU H . . 4.420 4.029 3.829 4.136 . 0 0 "[ . 1 . 2]" 1
494 1 79 ILE MG 1 111 ASP H . . 4.310 3.094 2.869 3.455 . 0 0 "[ . 1 . 2]" 1
495 1 110 GLY HA2 1 111 ASP H . . 3.620 2.661 2.374 2.853 . 0 0 "[ . 1 . 2]" 1
496 1 80 LEU MD1 1 111 ASP H . . 5.000 5.029 4.954 5.080 0.080 11 0 "[ . 1 . 2]" 1
497 1 79 ILE HA 1 111 ASP H . . 5.500 4.678 4.447 4.984 . 0 0 "[ . 1 . 2]" 1
498 1 111 ASP H 1 111 ASP HB3 . . 3.910 3.477 2.474 3.815 . 0 0 "[ . 1 . 2]" 1
499 1 110 GLY HA3 1 111 ASP H . . 3.620 2.475 2.308 2.769 . 0 0 "[ . 1 . 2]" 1
500 1 111 ASP H 1 111 ASP HB2 . . 4.280 2.850 2.637 3.532 . 0 0 "[ . 1 . 2]" 1
501 1 80 LEU QB 1 111 ASP H . . 4.270 3.456 3.267 3.641 . 0 0 "[ . 1 . 2]" 1
502 1 51 THR H 1 51 THR HB . . 3.980 2.824 2.546 2.868 . 0 0 "[ . 1 . 2]" 1
503 1 50 THR H 1 51 THR H . . 4.900 4.622 4.600 4.629 . 0 0 "[ . 1 . 2]" 1
504 1 51 THR H 1 51 THR MG . . 4.450 3.864 3.750 3.896 . 0 0 "[ . 1 . 2]" 1
505 1 50 THR HA 1 51 THR H . . 3.520 2.270 2.228 2.291 . 0 0 "[ . 1 . 2]" 1
506 1 51 THR H 1 119 ASP HA . . 4.480 3.712 3.551 3.984 . 0 0 "[ . 1 . 2]" 1
507 1 50 THR MG 1 51 THR H . . 3.720 3.145 1.957 3.764 0.044 5 0 "[ . 1 . 2]" 1
508 1 119 ASP HB3 1 120 LEU H . . 4.610 4.046 3.908 4.420 . 0 0 "[ . 1 . 2]" 1
509 1 120 LEU H 1 120 LEU MD2 . . 3.880 3.961 3.917 3.992 0.112 6 0 "[ . 1 . 2]" 1
510 1 120 LEU H 1 120 LEU MD1 . . 4.320 1.910 1.877 1.962 . 0 0 "[ . 1 . 2]" 1
511 1 72 ILE MG 1 120 LEU H . . 4.460 4.522 4.488 4.553 0.093 14 0 "[ . 1 . 2]" 1
512 1 119 ASP HA 1 120 LEU H . . 3.650 2.226 2.194 2.249 . 0 0 "[ . 1 . 2]" 1
513 1 119 ASP H 1 120 LEU H . . 4.630 3.793 3.644 4.001 . 0 0 "[ . 1 . 2]" 1
514 1 120 LEU H 1 120 LEU HG . . 4.710 2.864 2.719 2.968 . 0 0 "[ . 1 . 2]" 1
515 1 62 ALA MB 1 63 GLY H . . 3.680 3.111 3.007 3.205 . 0 0 "[ . 1 . 2]" 1
516 1 63 GLY H 1 108 SER HB2 . . 4.250 2.830 1.948 3.694 . 0 0 "[ . 1 . 2]" 1
517 1 62 ALA H 1 63 GLY H . . 4.660 4.553 4.523 4.582 . 0 0 "[ . 1 . 2]" 1
518 1 63 GLY H 1 64 ASP H . . 3.630 2.677 2.505 2.796 . 0 0 "[ . 1 . 2]" 1
519 1 62 ALA HA 1 63 GLY H . . 3.370 2.160 2.150 2.177 . 0 0 "[ . 1 . 2]" 1
520 1 61 HIS QB 1 62 ALA H . . 3.610 3.173 2.638 3.498 . 0 0 "[ . 1 . 2]" 1
521 1 62 ALA H 1 111 ASP HA . . 3.610 2.789 2.492 3.073 . 0 0 "[ . 1 . 2]" 1
522 1 61 HIS HA 1 62 ALA H . . 3.100 2.266 2.208 2.321 . 0 0 "[ . 1 . 2]" 1
523 1 62 ALA H 1 62 ALA MB . . 3.010 2.129 2.031 2.229 . 0 0 "[ . 1 . 2]" 1
524 1 62 ALA H 1 64 ASP H . . 4.590 4.724 4.643 4.774 0.184 16 0 "[ . 1 . 2]" 1
525 1 123 ILE HA 1 124 HIS H . . 3.700 2.141 2.139 2.146 . 0 0 "[ . 1 . 2]" 1
526 1 124 HIS H 1 124 HIS HB2 . . 4.030 2.465 2.091 3.589 . 0 0 "[ . 1 . 2]" 1
527 1 123 ILE H 1 124 HIS H . . 4.900 4.078 3.924 4.157 . 0 0 "[ . 1 . 2]" 1
528 1 69 LEU QB 1 71 PHE H . . 4.700 4.652 4.482 4.729 0.029 19 0 "[ . 1 . 2]" 1
529 1 71 PHE H 1 121 HIS HA . . 4.980 4.619 4.544 4.723 . 0 0 "[ . 1 . 2]" 1
530 1 70 TYR HA 1 71 PHE H . . 3.780 2.139 2.137 2.142 . 0 0 "[ . 1 . 2]" 1
531 1 70 TYR QD 1 71 PHE H . . 4.810 4.165 4.014 4.573 . 0 0 "[ . 1 . 2]" 1
532 1 71 PHE H 1 71 PHE QD . . 4.130 3.754 2.642 4.191 0.061 2 0 "[ . 1 . 2]" 1
533 1 71 PHE H 1 72 ILE H . . 4.840 4.387 4.362 4.422 . 0 0 "[ . 1 . 2]" 1
534 1 80 LEU HG 1 81 ARG H . . 4.500 4.362 4.316 4.401 . 0 0 "[ . 1 . 2]" 1
535 1 81 ARG H 1 85 VAL HA . . 3.970 2.539 2.243 2.626 . 0 0 "[ . 1 . 2]" 1
536 1 81 ARG H 1 81 ARG HG3 . . 4.570 4.386 4.243 4.406 . 0 0 "[ . 1 . 2]" 1
537 1 81 ARG H 1 86 VAL MG2 . . 4.500 3.440 3.347 3.502 . 0 0 "[ . 1 . 2]" 1
538 1 80 LEU MD1 1 81 ARG H . . 5.000 4.761 4.718 4.837 . 0 0 "[ . 1 . 2]" 1
539 1 80 LEU HA 1 81 ARG H . . 3.120 2.185 2.184 2.189 . 0 0 "[ . 1 . 2]" 1
540 1 81 ARG H 1 81 ARG HB2 . . 4.050 3.341 3.308 3.480 . 0 0 "[ . 1 . 2]" 1
541 1 80 LEU MD2 1 81 ARG H . . 5.000 5.094 5.072 5.113 0.113 10 0 "[ . 1 . 2]" 1
542 1 81 ARG H 1 81 ARG HG2 . . 3.730 3.508 3.069 3.582 . 0 0 "[ . 1 . 2]" 1
543 1 81 ARG H 1 81 ARG HB3 . . 4.060 2.126 2.119 2.169 . 0 0 "[ . 1 . 2]" 1
544 1 80 LEU QB 1 81 ARG H . . 3.630 3.653 3.645 3.677 0.047 19 0 "[ . 1 . 2]" 1
545 1 91 LYS H 1 91 LYS HG3 . . 4.260 3.332 3.237 3.441 . 0 0 "[ . 1 . 2]" 1
546 1 91 LYS H 1 91 LYS QE . . 4.470 4.542 4.511 4.588 0.118 5 0 "[ . 1 . 2]" 1
547 1 91 LYS H 1 91 LYS HG2 . . 3.960 1.979 1.923 2.082 . 0 0 "[ . 1 . 2]" 1
548 1 91 LYS H 1 91 LYS HB3 . . 3.050 2.630 2.600 2.682 . 0 0 "[ . 1 . 2]" 1
549 1 91 LYS H 1 91 LYS HB2 . . 3.620 3.601 3.586 3.618 . 0 0 "[ . 1 . 2]" 1
550 1 90 GLY HA2 1 91 LYS H . . 3.370 3.247 2.980 3.348 . 0 0 "[ . 1 . 2]" 1
551 1 91 LYS H 1 91 LYS QD . . 3.620 3.526 3.249 3.579 . 0 0 "[ . 1 . 2]" 1
552 1 90 GLY HA3 1 91 LYS H . . 3.580 2.148 2.136 2.225 . 0 0 "[ . 1 . 2]" 1
553 1 64 ASP HA 1 65 LEU H . . 3.070 2.153 2.139 2.182 . 0 0 "[ . 1 . 2]" 1
554 1 65 LEU H 1 65 LEU MD2 . . 4.500 4.224 4.182 4.269 . 0 0 "[ . 1 . 2]" 1
555 1 65 LEU H 1 65 LEU HB3 . . 3.480 2.368 2.249 2.458 . 0 0 "[ . 1 . 2]" 1
556 1 64 ASP HB3 1 65 LEU H . . 3.870 3.648 3.330 3.936 0.066 18 0 "[ . 1 . 2]" 1
557 1 65 LEU H 1 65 LEU MD1 . . 4.000 4.129 4.071 4.208 0.208 10 0 "[ . 1 . 2]" 1
558 1 65 LEU H 1 65 LEU HG . . 4.500 4.379 4.243 4.445 . 0 0 "[ . 1 . 2]" 1
559 1 64 ASP HB2 1 65 LEU H . . 4.230 4.275 4.164 4.357 0.127 18 0 "[ . 1 . 2]" 1
560 1 64 ASP H 1 65 LEU H . . 4.500 4.511 4.424 4.583 0.083 13 0 "[ . 1 . 2]" 1
561 1 65 LEU H 1 65 LEU HB2 . . 3.420 2.669 2.547 2.852 . 0 0 "[ . 1 . 2]" 1
562 1 115 LEU HB3 1 116 THR H . . 3.960 3.306 3.240 3.431 . 0 0 "[ . 1 . 2]" 1
563 1 116 THR H 1 116 THR MG . . 3.590 2.320 2.176 2.414 . 0 0 "[ . 1 . 2]" 1
564 1 115 LEU HG 1 116 THR H . . 4.500 4.601 4.559 4.662 0.162 20 0 "[ . 1 . 2]" 1
565 1 116 THR H 1 116 THR HB . . 4.080 3.247 3.184 3.338 . 0 0 "[ . 1 . 2]" 1
566 1 116 THR H 1 118 CYS HB3 . . 4.670 4.322 4.256 4.394 . 0 0 "[ . 1 . 2]" 1
567 1 115 LEU HB2 1 116 THR H . . 3.630 2.533 2.472 2.657 . 0 0 "[ . 1 . 2]" 1
568 1 115 LEU HA 1 116 THR H . . 3.890 3.554 3.537 3.560 . 0 0 "[ . 1 . 2]" 1
569 1 55 PRO HA 1 116 THR H . . 4.720 3.997 3.908 4.091 . 0 0 "[ . 1 . 2]" 1
570 1 115 LEU MD2 1 116 THR H . . 4.660 4.719 4.690 4.754 0.094 6 0 "[ . 1 . 2]" 1
571 1 115 LEU MD1 1 116 THR H . . 4.660 4.234 4.079 4.472 . 0 0 "[ . 1 . 2]" 1
572 1 125 ARG H 1 126 ASP H . . 4.560 2.742 2.644 2.941 . 0 0 "[ . 1 . 2]" 1
573 1 125 ARG H 1 125 ARG HB2 . . 3.920 3.486 2.670 3.578 . 0 0 "[ . 1 . 2]" 1
574 1 125 ARG H 1 125 ARG HG3 . . 4.620 2.395 1.992 3.430 . 0 0 "[ . 1 . 2]" 1
575 1 125 ARG H 1 125 ARG HB3 . . 4.180 2.822 2.711 3.586 . 0 0 "[ . 1 . 2]" 1
576 1 142 PHE HB3 1 143 TRP H . . 4.010 2.537 2.436 2.636 . 0 0 "[ . 1 . 2]" 1
577 1 143 TRP H 1 143 TRP HB2 . . 3.800 2.289 2.246 2.317 . 0 0 "[ . 1 . 2]" 1
578 1 143 TRP H 1 143 TRP HD1 . . 4.960 2.636 2.301 2.805 . 0 0 "[ . 1 . 2]" 1
579 1 142 PHE HB2 1 143 TRP H . . 4.450 3.900 3.849 3.945 . 0 0 "[ . 1 . 2]" 1
580 1 142 PHE QD 1 143 TRP H . . 4.250 3.309 3.162 3.493 . 0 0 "[ . 1 . 2]" 1
581 1 140 ASP HA 1 143 TRP H . . 4.470 4.335 4.207 4.544 0.074 17 0 "[ . 1 . 2]" 1
582 1 143 TRP H 1 143 TRP HB3 . . 4.000 3.554 3.532 3.565 . 0 0 "[ . 1 . 2]" 1
583 1 142 PHE HA 1 143 TRP H . . 4.450 3.563 3.560 3.567 . 0 0 "[ . 1 . 2]" 1
584 1 139 SER HA 1 143 TRP H . . 4.480 3.048 2.907 3.159 . 0 0 "[ . 1 . 2]" 1
585 1 143 TRP H 1 144 SER H . . 3.930 2.506 2.486 2.559 . 0 0 "[ . 1 . 2]" 1
586 1 142 PHE H 1 143 TRP H . . 4.170 2.832 2.738 2.940 . 0 0 "[ . 1 . 2]" 1
587 1 132 LEU H 1 132 LEU MD2 . . 4.140 3.538 3.010 4.156 0.016 1 0 "[ . 1 . 2]" 1
588 1 131 VAL HB 1 132 LEU H . . 3.870 2.566 2.437 2.683 . 0 0 "[ . 1 . 2]" 1
589 1 132 LEU H 1 132 LEU HB2 . . 3.920 2.289 2.059 2.464 . 0 0 "[ . 1 . 2]" 1
590 1 131 VAL MG1 1 132 LEU H . . 4.450 3.473 3.317 3.665 . 0 0 "[ . 1 . 2]" 1
591 1 132 LEU H 1 132 LEU HG . . 4.600 3.063 2.347 4.375 . 0 0 "[ . 1 . 2]" 1
592 1 131 VAL HA 1 132 LEU H . . 4.620 3.542 3.524 3.556 . 0 0 "[ . 1 . 2]" 1
593 1 132 LEU H 1 132 LEU HB3 . . 4.090 3.510 3.240 3.591 . 0 0 "[ . 1 . 2]" 1
594 1 128 LEU HA 1 132 LEU H . . 4.880 4.123 3.979 4.246 . 0 0 "[ . 1 . 2]" 1
595 1 131 VAL H 1 132 LEU H . . 3.750 2.816 2.769 2.882 . 0 0 "[ . 1 . 2]" 1
596 1 132 LEU H 1 132 LEU MD1 . . 4.280 3.389 2.075 4.317 0.037 14 0 "[ . 1 . 2]" 1
597 1 131 VAL MG2 1 132 LEU H . . 4.210 3.787 3.669 3.864 . 0 0 "[ . 1 . 2]" 1
598 1 129 LEU HA 1 132 LEU H . . 4.240 3.663 3.559 3.739 . 0 0 "[ . 1 . 2]" 1
599 1 36 ALA H 1 36 ALA MB . . 3.400 2.895 2.875 2.916 . 0 0 "[ . 1 . 2]" 1
600 1 36 ALA H 1 37 THR H . . 4.850 3.657 3.564 3.792 . 0 0 "[ . 1 . 2]" 1
601 1 35 GLY HA2 1 36 ALA H . . 4.420 2.741 2.656 2.875 . 0 0 "[ . 1 . 2]" 1
602 1 33 PHE HA 1 36 ALA H . . 4.180 3.492 3.294 3.614 . 0 0 "[ . 1 . 2]" 1
603 1 35 GLY HA3 1 36 ALA H . . 4.240 3.554 3.522 3.566 . 0 0 "[ . 1 . 2]" 1
604 1 34 ARG HA 1 36 ALA H . . 5.500 5.499 5.293 5.618 0.118 19 0 "[ . 1 . 2]" 1
605 1 36 ALA H 1 138 PHE QD . . 5.500 5.648 5.564 5.724 0.224 17 0 "[ . 1 . 2]" 1
606 1 63 GLY HA3 1 64 ASP H . . 4.150 2.993 2.925 3.087 . 0 0 "[ . 1 . 2]" 1
607 1 61 HIS QB 1 64 ASP H . . 4.500 4.136 3.802 4.635 0.135 10 0 "[ . 1 . 2]" 1
608 1 64 ASP H 1 64 ASP HB3 . . 3.440 3.276 2.727 3.636 0.196 6 0 "[ . 1 . 2]" 1
609 1 64 ASP H 1 108 SER HB2 . . 4.020 3.194 2.215 4.099 0.079 10 0 "[ . 1 . 2]" 1
610 1 64 ASP H 1 64 ASP HB2 . . 3.370 2.472 2.253 2.697 . 0 0 "[ . 1 . 2]" 1
611 1 63 GLY HA2 1 64 ASP H . . 3.780 3.473 3.425 3.504 . 0 0 "[ . 1 . 2]" 1
612 1 60 VAL MG1 1 64 ASP H . . 3.830 3.829 3.746 3.934 0.104 16 0 "[ . 1 . 2]" 1
613 1 64 ASP H 1 108 SER HB3 . . 3.720 3.747 3.610 3.860 0.140 14 0 "[ . 1 . 2]" 1
614 1 76 SER H 1 116 THR MG . . 4.080 2.498 1.884 2.948 . 0 0 "[ . 1 . 2]" 1
615 1 76 SER H 1 76 SER HB2 . . 3.410 2.804 2.229 3.118 . 0 0 "[ . 1 . 2]" 1
616 1 76 SER H 1 76 SER HB3 . . 4.020 3.612 3.248 3.821 . 0 0 "[ . 1 . 2]" 1
617 1 75 GLY HA2 1 76 SER H . . 3.700 2.874 2.235 3.223 . 0 0 "[ . 1 . 2]" 1
618 1 138 PHE HA 1 139 SER H . . 4.440 3.555 3.541 3.570 . 0 0 "[ . 1 . 2]" 1
619 1 139 SER H 1 139 SER HB3 . . 3.610 2.391 2.078 3.436 . 0 0 "[ . 1 . 2]" 1
620 1 132 LEU MD2 1 139 SER H . . 4.590 3.541 2.722 4.657 0.067 5 0 "[ . 1 . 2]" 1
621 1 139 SER H 1 143 TRP HD1 . . 4.610 4.662 4.550 4.728 0.118 3 0 "[ . 1 . 2]" 1
622 1 138 PHE HB2 1 139 SER H . . 4.400 3.534 3.357 3.864 . 0 0 "[ . 1 . 2]" 1
623 1 139 SER H 1 139 SER HB2 . . 3.480 3.193 2.092 3.461 . 0 0 "[ . 1 . 2]" 1
624 1 136 PRO HA 1 139 SER H . . 4.040 3.361 3.258 3.492 . 0 0 "[ . 1 . 2]" 1
625 1 138 PHE QD 1 139 SER H . . 4.200 4.114 3.962 4.246 0.046 18 0 "[ . 1 . 2]" 1
626 1 138 PHE HB3 1 139 SER H . . 4.360 2.432 2.161 2.593 . 0 0 "[ . 1 . 2]" 1
627 1 145 SER HA 1 146 LEU H . . 3.770 3.484 3.141 3.510 . 0 0 "[ . 1 . 2]" 1
628 1 145 SER QB 1 146 LEU H . . 4.080 2.859 2.715 3.575 . 0 0 "[ . 1 . 2]" 1
629 1 146 LEU H 1 146 LEU MD2 . . 3.940 3.643 3.335 4.063 0.123 16 0 "[ . 1 . 2]" 1
630 1 146 LEU H 1 146 LEU MD1 . . 4.500 4.323 4.087 4.514 0.014 7 0 "[ . 1 . 2]" 1
631 1 146 LEU H 1 146 LEU QB . . 3.420 2.246 2.058 2.480 . 0 0 "[ . 1 . 2]" 1
632 1 142 PHE HA 1 146 LEU H . . 4.570 3.780 3.395 4.686 0.116 9 0 "[ . 1 . 2]" 1
633 1 144 SER H 1 146 LEU H . . 4.070 3.714 3.561 3.920 . 0 0 "[ . 1 . 2]" 1
634 1 112 VAL MG1 1 114 ALA H . . 4.500 3.872 3.786 4.056 . 0 0 "[ . 1 . 2]" 1
635 1 113 ARG HG3 1 114 ALA H . . 4.000 2.895 2.728 2.980 . 0 0 "[ . 1 . 2]" 1
636 1 113 ARG HB3 1 114 ALA H . . 4.120 4.128 4.053 4.203 0.083 13 0 "[ . 1 . 2]" 1
637 1 114 ALA H 1 114 ALA MB . . 3.200 2.035 2.029 2.040 . 0 0 "[ . 1 . 2]" 1
638 1 113 ARG HB2 1 114 ALA H . . 4.500 4.448 4.396 4.483 . 0 0 "[ . 1 . 2]" 1
639 1 113 ARG HA 1 114 ALA H . . 3.280 2.141 2.140 2.146 . 0 0 "[ . 1 . 2]" 1
640 1 59 LEU MD2 1 114 ALA H . . 4.360 2.215 2.150 2.295 . 0 0 "[ . 1 . 2]" 1
641 1 59 LEU MD1 1 114 ALA H . . 5.000 4.389 4.269 4.504 . 0 0 "[ . 1 . 2]" 1
642 1 135 TYR H 1 135 TYR HB3 . . 3.890 3.763 3.591 3.863 . 0 0 "[ . 1 . 2]" 1
643 1 134 MET HB3 1 135 TYR H . . 3.890 3.694 3.256 3.947 0.057 20 0 "[ . 1 . 2]" 1
644 1 134 MET HB2 1 135 TYR H . . 3.940 3.499 2.592 3.962 0.022 19 0 "[ . 1 . 2]" 1
645 1 135 TYR H 1 135 TYR HB2 . . 3.950 2.735 2.593 2.835 . 0 0 "[ . 1 . 2]" 1
646 1 135 TYR H 1 135 TYR QD . . 3.810 3.706 3.451 3.831 0.021 16 0 "[ . 1 . 2]" 1
647 1 134 MET HA 1 135 TYR H . . 4.030 3.516 3.506 3.537 . 0 0 "[ . 1 . 2]" 1
648 1 127 ASP HA 1 131 VAL H . . 4.770 3.951 3.624 4.252 . 0 0 "[ . 1 . 2]" 1
649 1 131 VAL H 1 131 VAL HB . . 3.380 2.624 2.550 2.720 . 0 0 "[ . 1 . 2]" 1
650 1 130 GLU HB2 1 131 VAL H . . 4.340 2.436 2.377 3.179 . 0 0 "[ . 1 . 2]" 1
651 1 131 VAL H 1 131 VAL MG1 . . 4.000 3.762 3.752 3.766 . 0 0 "[ . 1 . 2]" 1
652 1 130 GLU HB3 1 131 VAL H . . 3.660 3.018 2.529 3.100 . 0 0 "[ . 1 . 2]" 1
653 1 130 GLU HA 1 131 VAL H . . 4.020 3.569 3.562 3.570 . 0 0 "[ . 1 . 2]" 1
654 1 128 LEU HA 1 131 VAL H . . 3.930 3.822 3.584 3.946 0.016 17 0 "[ . 1 . 2]" 1
655 1 43 ALA MB 1 131 VAL H . . 4.890 4.393 3.550 4.764 . 0 0 "[ . 1 . 2]" 1
656 1 130 GLU HG2 1 131 VAL H . . 4.460 4.503 4.477 4.697 0.237 10 0 "[ . 1 . 2]" 1
657 1 131 VAL H 1 131 VAL MG2 . . 3.510 2.124 1.921 2.254 . 0 0 "[ . 1 . 2]" 1
658 1 127 ASP HB2 1 128 LEU H . . 4.820 3.035 2.174 4.109 . 0 0 "[ . 1 . 2]" 1
659 1 128 LEU H 1 128 LEU HG . . 4.250 3.753 3.456 4.374 0.124 10 0 "[ . 1 . 2]" 1
660 1 128 LEU H 1 128 LEU MD1 . . 4.800 4.186 4.090 4.301 . 0 0 "[ . 1 . 2]" 1
661 1 127 ASP HA 1 128 LEU H . . 4.510 3.546 3.534 3.571 . 0 0 "[ . 1 . 2]" 1
662 1 123 ILE MD 1 128 LEU H . . 4.590 2.723 2.568 3.256 . 0 0 "[ . 1 . 2]" 1
663 1 127 ASP HB3 1 128 LEU H . . 4.640 3.314 2.596 3.838 . 0 0 "[ . 1 . 2]" 1
664 1 128 LEU H 1 128 LEU MD2 . . 4.860 4.046 3.949 4.293 . 0 0 "[ . 1 . 2]" 1
665 1 144 SER H 1 144 SER HB3 . . 3.830 2.562 2.259 3.541 . 0 0 "[ . 1 . 2]" 1
666 1 144 SER H 1 144 SER HB2 . . 3.830 2.709 2.092 3.000 . 0 0 "[ . 1 . 2]" 1
667 1 143 TRP HB2 1 144 SER H . . 4.200 3.110 2.910 3.215 . 0 0 "[ . 1 . 2]" 1
668 1 141 HIS HA 1 144 SER H . . 4.510 3.326 3.251 3.390 . 0 0 "[ . 1 . 2]" 1
669 1 143 TRP HA 1 144 SER H . . 3.960 3.444 3.411 3.505 . 0 0 "[ . 1 . 2]" 1
670 1 140 ASP HA 1 144 SER H . . 4.550 4.510 4.259 4.586 0.036 9 0 "[ . 1 . 2]" 1
671 1 143 TRP HB3 1 144 SER H . . 4.500 3.813 3.559 3.912 . 0 0 "[ . 1 . 2]" 1
672 1 117 TYR HB2 1 118 CYS H . . 4.320 4.296 3.570 4.513 0.193 6 0 "[ . 1 . 2]" 1
673 1 117 TYR HA 1 118 CYS H . . 3.320 2.143 2.140 2.146 . 0 0 "[ . 1 . 2]" 1
674 1 53 ALA MB 1 118 CYS H . . 4.160 3.425 3.324 3.569 . 0 0 "[ . 1 . 2]" 1
675 1 118 CYS H 1 118 CYS HB3 . . 3.910 3.261 3.230 3.307 . 0 0 "[ . 1 . 2]" 1
676 1 118 CYS H 1 118 CYS HB2 . . 4.050 3.882 3.854 3.903 . 0 0 "[ . 1 . 2]" 1
677 1 117 TYR HB3 1 118 CYS H . . 4.480 4.123 3.606 4.342 . 0 0 "[ . 1 . 2]" 1
678 1 117 TYR QD 1 118 CYS H . . 4.490 4.101 3.767 4.585 0.095 18 0 "[ . 1 . 2]" 1
679 1 72 ILE MD 1 77 ILE H . . 4.290 3.595 3.361 3.900 . 0 0 "[ . 1 . 2]" 1
680 1 76 SER HB2 1 77 ILE H . . 4.210 4.198 4.061 4.285 0.075 5 0 "[ . 1 . 2]" 1
681 1 77 ILE H 1 88 ILE HG13 . . 4.670 4.664 4.570 4.731 0.061 16 0 "[ . 1 . 2]" 1
682 1 77 ILE H 1 77 ILE QG . . 4.790 4.105 4.094 4.129 . 0 0 "[ . 1 . 2]" 1
683 1 76 SER HB3 1 77 ILE H . . 4.760 3.039 2.843 3.166 . 0 0 "[ . 1 . 2]" 1
684 1 77 ILE H 1 77 ILE HB . . 4.220 3.249 3.180 3.294 . 0 0 "[ . 1 . 2]" 1
685 1 77 ILE H 1 77 ILE MG . . 4.580 2.129 2.101 2.225 . 0 0 "[ . 1 . 2]" 1
686 1 76 SER HA 1 77 ILE H . . 3.650 2.280 2.222 2.373 . 0 0 "[ . 1 . 2]" 1
687 1 77 ILE H 1 89 LEU H . . 5.000 5.160 5.124 5.199 0.199 2 0 "[ . 1 . 2]" 1
688 1 77 ILE H 1 77 ILE MD . . 5.500 4.799 4.773 4.825 . 0 0 "[ . 1 . 2]" 1
689 1 154 ASP H 1 154 ASP HB2 . . 3.790 2.836 2.098 3.771 . 0 0 "[ . 1 . 2]" 1
690 1 153 ARG HA 1 154 ASP H . . 3.620 2.652 2.333 3.014 . 0 0 "[ . 1 . 2]" 1
691 1 154 ASP H 1 154 ASP HB3 . . 3.800 3.240 2.393 3.860 0.060 19 0 "[ . 1 . 2]" 1
692 1 101 LEU HA 1 102 TYR H . . 4.730 3.564 3.554 3.566 . 0 0 "[ . 1 . 2]" 1
693 1 72 ILE H 1 72 ILE MD . . 4.200 3.639 3.272 3.841 . 0 0 "[ . 1 . 2]" 1
694 1 72 ILE H 1 72 ILE HB . . 4.300 2.548 2.463 2.652 . 0 0 "[ . 1 . 2]" 1
695 1 71 PHE QB 1 72 ILE H . . 4.680 3.596 3.217 3.770 . 0 0 "[ . 1 . 2]" 1
696 1 72 ILE H 1 72 ILE QG . . 4.780 2.361 2.229 2.478 . 0 0 "[ . 1 . 2]" 1
697 1 72 ILE H 1 72 ILE MG . . 4.440 3.800 3.768 3.831 . 0 0 "[ . 1 . 2]" 1
698 1 71 PHE HA 1 72 ILE H . . 3.960 2.149 2.145 2.151 . 0 0 "[ . 1 . 2]" 1
699 1 103 ALA MB 1 104 ARG H . . 3.770 2.528 2.126 2.797 . 0 0 "[ . 1 . 2]" 1
700 1 103 ALA HA 1 104 ARG H . . 3.900 3.542 3.512 3.572 . 0 0 "[ . 1 . 2]" 1
701 1 58 THR H 1 58 THR MG . . 4.420 3.821 3.812 3.829 . 0 0 "[ . 1 . 2]" 1
702 1 57 ASP HB2 1 58 THR H . . 4.240 4.304 4.277 4.321 0.081 5 0 "[ . 1 . 2]" 1
703 1 57 ASP HA 1 58 THR H . . 3.110 2.219 2.210 2.236 . 0 0 "[ . 1 . 2]" 1
704 1 58 THR H 1 58 THR HB . . 3.460 2.832 2.786 2.876 . 0 0 "[ . 1 . 2]" 1
705 1 57 ASP HB3 1 58 THR H . . 4.250 3.231 3.197 3.267 . 0 0 "[ . 1 . 2]" 1
706 1 58 THR H 1 113 ARG HA . . 4.740 4.711 4.670 4.796 0.056 16 0 "[ . 1 . 2]" 1
707 1 142 PHE H 1 142 PHE HB3 . . 3.990 2.255 2.182 2.360 . 0 0 "[ . 1 . 2]" 1
708 1 141 HIS HA 1 142 PHE H . . 4.500 3.512 3.475 3.541 . 0 0 "[ . 1 . 2]" 1
709 1 142 PHE H 1 142 PHE HB2 . . 3.880 2.851 2.718 2.953 . 0 0 "[ . 1 . 2]" 1
710 1 142 PHE H 1 142 PHE QD . . 4.490 4.102 4.025 4.168 . 0 0 "[ . 1 . 2]" 1
711 1 141 HIS QB 1 142 PHE H . . 3.740 2.752 2.512 2.951 . 0 0 "[ . 1 . 2]" 1
712 1 139 SER HA 1 142 PHE H . . 4.590 3.363 3.273 3.467 . 0 0 "[ . 1 . 2]" 1
713 1 88 ILE HB 1 89 LEU H . . 4.580 3.956 3.916 4.040 . 0 0 "[ . 1 . 2]" 1
714 1 89 LEU H 1 89 LEU HG . . 4.940 3.759 3.746 3.788 . 0 0 "[ . 1 . 2]" 1
715 1 88 ILE HA 1 89 LEU H . . 3.900 2.168 2.162 2.173 . 0 0 "[ . 1 . 2]" 1
716 1 89 LEU H 1 89 LEU MD2 . . 3.980 1.840 1.829 1.875 . 0 0 "[ . 1 . 2]" 1
717 1 89 LEU H 1 89 LEU MD1 . . 4.660 2.549 2.458 2.631 . 0 0 "[ . 1 . 2]" 1
718 1 44 LEU QB 1 45 ALA H . . 3.870 2.422 2.252 2.918 . 0 0 "[ . 1 . 2]" 1
719 1 45 ALA H 1 45 ALA MB . . 3.260 2.198 2.136 2.256 . 0 0 "[ . 1 . 2]" 1
720 1 44 LEU HG 1 45 ALA H . . 4.500 4.623 4.555 4.705 0.205 7 0 "[ . 1 . 2]" 1
721 1 44 LEU MD2 1 45 ALA H . . 5.000 4.709 4.583 5.004 0.004 18 0 "[ . 1 . 2]" 1
722 1 41 LEU HA 1 45 ALA H . . 4.420 3.093 2.947 3.482 . 0 0 "[ . 1 . 2]" 1
723 1 44 LEU MD1 1 45 ALA H . . 4.830 4.023 3.809 4.482 . 0 0 "[ . 1 . 2]" 1
724 1 44 LEU HA 1 45 ALA H . . 4.260 3.550 3.452 3.570 . 0 0 "[ . 1 . 2]" 1
725 1 96 GLY HA2 1 97 GLU H . . 3.670 2.881 2.793 2.937 . 0 0 "[ . 1 . 2]" 1
726 1 97 GLU H 1 97 GLU QG . . 4.810 3.812 1.911 4.211 . 0 0 "[ . 1 . 2]" 1
727 1 96 GLY HA3 1 97 GLU H . . 4.030 2.293 2.254 2.358 . 0 0 "[ . 1 . 2]" 1
728 1 68 ALA MB 1 123 ILE H . . 4.070 2.235 2.000 2.386 . 0 0 "[ . 1 . 2]" 1
729 1 122 LYS HB3 1 123 ILE H . . 4.140 4.053 3.597 4.157 0.017 6 0 "[ . 1 . 2]" 1
730 1 123 ILE H 1 123 ILE HG12 . . 4.700 4.194 4.064 4.347 . 0 0 "[ . 1 . 2]" 1
731 1 123 ILE H 1 123 ILE MD . . 4.760 4.827 4.712 4.935 0.175 17 0 "[ . 1 . 2]" 1
732 1 122 LYS HA 1 123 ILE H . . 3.670 2.176 2.163 2.264 . 0 0 "[ . 1 . 2]" 1
733 1 123 ILE H 1 123 ILE HB . . 4.200 3.591 3.458 3.697 . 0 0 "[ . 1 . 2]" 1
734 1 123 ILE H 1 123 ILE HG13 . . 4.590 4.447 4.350 4.723 0.133 10 0 "[ . 1 . 2]" 1
735 1 123 ILE H 1 123 ILE MG . . 3.630 2.018 1.953 2.229 . 0 0 "[ . 1 . 2]" 1
736 1 118 CYS HB3 1 119 ASP H . . 4.710 3.693 3.487 3.889 . 0 0 "[ . 1 . 2]" 1
737 1 118 CYS HA 1 119 ASP H . . 4.070 2.501 2.321 2.688 . 0 0 "[ . 1 . 2]" 1
738 1 60 VAL H 1 112 VAL MG1 . . 3.730 2.956 2.872 3.052 . 0 0 "[ . 1 . 2]" 1
739 1 60 VAL H 1 112 VAL HA . . 4.210 4.322 4.272 4.354 0.144 14 0 "[ . 1 . 2]" 1
740 1 60 VAL H 1 112 VAL HB . . 3.880 1.947 1.935 1.990 . 0 0 "[ . 1 . 2]" 1
741 1 60 VAL H 1 60 VAL MG2 . . 3.880 2.613 2.590 2.632 . 0 0 "[ . 1 . 2]" 1
742 1 60 VAL H 1 60 VAL HB . . 3.820 3.021 2.948 3.047 . 0 0 "[ . 1 . 2]" 1
743 1 59 LEU HA 1 60 VAL H . . 4.620 3.527 3.523 3.532 . 0 0 "[ . 1 . 2]" 1
744 1 60 VAL H 1 60 VAL MG1 . . 4.580 3.993 3.974 3.998 . 0 0 "[ . 1 . 2]" 1
745 1 59 LEU QB 1 60 VAL H . . 3.980 2.611 2.585 2.632 . 0 0 "[ . 1 . 2]" 1
746 1 60 VAL H 1 113 ARG HA . . 4.820 4.325 4.289 4.359 . 0 0 "[ . 1 . 2]" 1
747 1 48 PHE H 1 49 LYS H . . 4.610 4.538 4.339 4.616 0.006 16 0 "[ . 1 . 2]" 1
748 1 47 LYS HA 1 48 PHE H . . 4.260 3.246 3.149 3.527 . 0 0 "[ . 1 . 2]" 1
749 1 48 PHE H 1 48 PHE QD . . 4.270 3.822 2.306 4.363 0.093 17 0 "[ . 1 . 2]" 1
750 1 48 PHE H 1 48 PHE HB2 . . 3.770 2.348 2.088 3.545 . 0 0 "[ . 1 . 2]" 1
751 1 45 ALA HA 1 48 PHE H . . 4.420 3.482 3.073 4.112 . 0 0 "[ . 1 . 2]" 1
752 1 87 ALA MB 1 88 ILE H . . 3.450 3.436 3.424 3.447 . 0 0 "[ . 1 . 2]" 1
753 1 88 ILE H 1 88 ILE HB . . 3.360 3.376 3.235 3.472 0.112 12 0 "[ . 1 . 2]" 1
754 1 88 ILE H 1 88 ILE HG13 . . 4.500 3.670 3.660 3.703 . 0 0 "[ . 1 . 2]" 1
755 1 88 ILE H 1 88 ILE MD . . 3.790 2.822 2.732 2.954 . 0 0 "[ . 1 . 2]" 1
756 1 87 ALA HA 1 88 ILE H . . 2.940 2.169 2.166 2.174 . 0 0 "[ . 1 . 2]" 1
757 1 87 ALA H 1 88 ILE H . . 4.410 3.473 3.454 3.491 . 0 0 "[ . 1 . 2]" 1
758 1 88 ILE H 1 88 ILE HG12 . . 3.960 2.011 2.001 2.057 . 0 0 "[ . 1 . 2]" 1
759 1 88 ILE H 1 88 ILE MG . . 3.790 3.803 3.751 3.869 0.079 16 0 "[ . 1 . 2]" 1
760 1 98 PRO QG 1 148 ILE MD . . 4.210 2.261 1.895 3.729 . 0 0 "[ . 1 . 2]" 1
761 1 97 GLU HA 1 98 PRO QG . . 4.970 3.834 3.768 3.870 . 0 0 "[ . 1 . 2]" 1
762 1 49 LYS HA 1 49 LYS QD . . 4.030 2.870 1.997 3.906 . 0 0 "[ . 1 . 2]" 1
763 1 68 ALA MB 1 123 ILE HA . . 4.130 3.335 3.277 3.479 . 0 0 "[ . 1 . 2]" 1
764 1 68 ALA MB 1 122 LYS QE . . 3.360 2.898 1.979 3.517 0.157 17 0 "[ . 1 . 2]" 1
765 1 68 ALA MB 1 122 LYS HB3 . . 3.940 4.014 3.587 4.149 0.209 14 0 "[ . 1 . 2]" 1
766 1 68 ALA MB 1 122 LYS HA . . 4.750 3.499 3.367 3.686 . 0 0 "[ . 1 . 2]" 1
767 1 68 ALA MB 1 122 LYS HD2 . . 4.160 2.657 2.380 2.968 . 0 0 "[ . 1 . 2]" 1
768 1 68 ALA MB 1 123 ILE HB . . 5.000 4.792 4.731 4.874 . 0 0 "[ . 1 . 2]" 1
769 1 68 ALA MB 1 122 LYS HB2 . . 4.330 4.180 4.070 4.376 0.046 17 0 "[ . 1 . 2]" 1
770 1 68 ALA MB 1 123 ILE HG13 . . 5.500 4.464 4.374 4.979 . 0 0 "[ . 1 . 2]" 1
771 1 68 ALA MB 1 70 TYR QD . . 4.390 3.956 3.804 4.408 0.018 17 0 "[ . 1 . 2]" 1
772 1 68 ALA MB 1 122 LYS HD3 . . 3.980 3.844 3.584 4.066 0.086 19 0 "[ . 1 . 2]" 1
773 1 68 ALA MB 1 122 LYS HG2 . . 3.600 1.923 1.873 2.173 . 0 0 "[ . 1 . 2]" 1
774 1 115 LEU HB3 1 115 LEU HG . . 2.940 2.981 2.960 3.009 0.069 12 0 "[ . 1 . 2]" 1
775 1 76 SER HB3 1 115 LEU HB3 . . 4.200 3.535 3.239 3.667 . 0 0 "[ . 1 . 2]" 1
776 1 115 LEU HB3 1 115 LEU MD1 . . 3.120 2.645 2.492 2.740 . 0 0 "[ . 1 . 2]" 1
777 1 78 GLU QG 1 115 LEU HB3 . . 5.150 4.857 4.528 5.257 0.107 12 0 "[ . 1 . 2]" 1
778 1 105 PRO HA 1 105 PRO HG2 . . 4.300 3.852 3.852 3.853 . 0 0 "[ . 1 . 2]" 1
779 1 105 PRO HA 1 105 PRO HG3 . . 4.340 4.025 4.024 4.026 . 0 0 "[ . 1 . 2]" 1
780 1 141 HIS HA 1 144 SER HB3 . . 3.480 2.340 1.991 3.510 0.030 7 0 "[ . 1 . 2]" 1
781 1 123 ILE HA 1 123 ILE MD . . 4.220 3.636 3.537 3.803 . 0 0 "[ . 1 . 2]" 1
782 1 68 ALA HA 1 123 ILE HA . . 4.940 5.078 5.026 5.118 0.178 2 0 "[ . 1 . 2]" 1
783 1 51 THR MG 1 120 LEU QB . . 3.730 3.494 3.178 3.733 0.003 17 0 "[ . 1 . 2]" 1
784 1 72 ILE MD 1 88 ILE HG13 . . 5.000 5.094 5.070 5.137 0.137 14 0 "[ . 1 . 2]" 1
785 1 72 ILE MD 1 77 ILE QG . . 4.180 4.044 3.979 4.186 0.006 12 0 "[ . 1 . 2]" 1
786 1 72 ILE MD 1 77 ILE HB . . 4.330 2.676 2.527 2.818 . 0 0 "[ . 1 . 2]" 1
787 1 72 ILE MD 1 72 ILE MG . . 3.540 2.086 1.913 2.339 . 0 0 "[ . 1 . 2]" 1
788 1 72 ILE MD 1 77 ILE MG . . 4.260 1.859 1.823 2.040 . 0 0 "[ . 1 . 2]" 1
789 1 72 ILE MD 1 95 PHE QD . . 4.410 3.681 3.180 4.168 . 0 0 "[ . 1 . 2]" 1
790 1 72 ILE MD 1 77 ILE MD . . 3.490 3.362 3.205 3.536 0.046 14 0 "[ . 1 . 2]" 1
791 1 72 ILE MD 1 89 LEU QB . . 5.450 5.086 4.823 5.335 . 0 0 "[ . 1 . 2]" 1
792 1 87 ALA MB 1 150 PHE QD . . 5.500 4.490 4.083 4.845 . 0 0 "[ . 1 . 2]" 1
793 1 87 ALA MB 1 150 PHE QE . . 4.500 4.051 2.956 4.514 0.014 6 0 "[ . 1 . 2]" 1
794 1 87 ALA MB 1 89 LEU MD2 . . 3.500 3.592 3.551 3.636 0.136 1 0 "[ . 1 . 2]" 1
795 1 87 ALA MB 1 89 LEU MD1 . . 3.380 3.451 3.382 3.480 0.100 9 0 "[ . 1 . 2]" 1
796 1 80 LEU MD1 1 113 ARG HG2 . . 3.350 3.369 3.302 3.408 0.058 7 0 "[ . 1 . 2]" 1
797 1 113 ARG HB3 1 113 ARG HG2 . . 2.710 2.244 2.225 2.260 . 0 0 "[ . 1 . 2]" 1
798 1 80 LEU MD2 1 113 ARG HG2 . . 4.500 4.555 4.541 4.575 0.075 14 0 "[ . 1 . 2]" 1
799 1 58 THR HA 1 113 ARG HG2 . . 4.770 4.714 4.573 4.782 0.012 6 0 "[ . 1 . 2]" 1
800 1 41 LEU HB3 1 45 ALA MB . . 4.500 4.595 4.421 4.716 0.216 9 0 "[ . 1 . 2]" 1
801 1 41 LEU HB3 1 41 LEU MD2 . . 3.580 2.223 2.035 2.359 . 0 0 "[ . 1 . 2]" 1
802 1 36 ALA HA 1 41 LEU HB3 . . 5.000 5.100 5.047 5.183 0.183 17 0 "[ . 1 . 2]" 1
803 1 41 LEU HB3 1 41 LEU MD1 . . 3.360 2.984 2.593 3.193 . 0 0 "[ . 1 . 2]" 1
804 1 51 THR HB 1 120 LEU QB . . 4.540 2.890 2.542 3.208 . 0 0 "[ . 1 . 2]" 1
805 1 51 THR HB 1 120 LEU MD1 . . 4.270 3.232 2.866 3.677 . 0 0 "[ . 1 . 2]" 1
806 1 152 LEU HA 1 152 LEU MD2 . . 4.530 3.608 1.939 3.802 . 0 0 "[ . 1 . 2]" 1
807 1 152 LEU HA 1 152 LEU MD1 . . 3.680 2.282 1.967 3.754 0.074 6 0 "[ . 1 . 2]" 1
808 1 141 HIS HA 1 144 SER HB2 . . 3.630 3.054 1.987 3.564 . 0 0 "[ . 1 . 2]" 1
809 1 76 SER HB2 1 116 THR MG . . 3.950 2.883 2.492 3.141 . 0 0 "[ . 1 . 2]" 1
810 1 76 SER HB3 1 116 THR MG . . 3.770 3.700 3.342 3.862 0.092 11 0 "[ . 1 . 2]" 1
811 1 116 THR HA 1 116 THR MG . . 3.420 3.202 3.190 3.207 . 0 0 "[ . 1 . 2]" 1
812 1 115 LEU HA 1 115 LEU HG . . 4.280 2.646 2.556 2.792 . 0 0 "[ . 1 . 2]" 1
813 1 123 ILE MD 1 128 LEU HG . . 3.480 1.981 1.927 2.759 . 0 0 "[ . 1 . 2]" 1
814 1 128 LEU HA 1 128 LEU HG . . 4.180 2.750 2.372 2.865 . 0 0 "[ . 1 . 2]" 1
815 1 136 PRO HB3 1 136 PRO HG2 . . 3.000 2.994 2.993 2.994 . 0 0 "[ . 1 . 2]" 1
816 1 136 PRO HA 1 136 PRO HG2 . . 4.060 3.852 3.851 3.853 . 0 0 "[ . 1 . 2]" 1
817 1 55 PRO HB2 1 116 THR HA . . 4.880 3.634 3.600 3.673 . 0 0 "[ . 1 . 2]" 1
818 1 80 LEU HG 1 85 VAL HA . . 4.220 3.306 3.262 3.455 . 0 0 "[ . 1 . 2]" 1
819 1 80 LEU HG 1 85 VAL MG2 . . 3.820 3.378 3.197 3.432 . 0 0 "[ . 1 . 2]" 1
820 1 80 LEU HA 1 80 LEU HG . . 3.930 2.334 2.315 2.351 . 0 0 "[ . 1 . 2]" 1
821 1 80 LEU HG 1 85 VAL MG1 . . 3.440 1.854 1.819 1.898 . 0 0 "[ . 1 . 2]" 1
822 1 85 VAL HA 1 85 VAL MG2 . . 3.350 3.149 3.108 3.163 . 0 0 "[ . 1 . 2]" 1
823 1 80 LEU MD1 1 85 VAL HA . . 3.640 3.692 3.656 3.761 0.121 19 0 "[ . 1 . 2]" 1
824 1 80 LEU HA 1 85 VAL HA . . 4.150 1.837 1.818 1.857 . 0 0 "[ . 1 . 2]" 1
825 1 85 VAL HA 1 85 VAL MG1 . . 3.380 2.033 2.006 2.104 . 0 0 "[ . 1 . 2]" 1
826 1 80 LEU MD2 1 85 VAL HA . . 4.620 4.764 4.727 4.866 0.246 19 0 "[ . 1 . 2]" 1
827 1 47 LYS HA 1 47 LYS QD . . 4.000 3.343 2.045 3.988 . 0 0 "[ . 1 . 2]" 1
828 1 43 ALA MB 1 47 LYS QD . . 4.180 3.844 3.117 4.267 0.087 20 0 "[ . 1 . 2]" 1
829 1 69 LEU MD2 1 128 LEU MD1 . . 3.670 1.810 1.763 1.866 . 0 0 "[ . 1 . 2]" 1
830 1 123 ILE HG12 1 128 LEU MD1 . . 4.280 3.312 3.212 3.435 . 0 0 "[ . 1 . 2]" 1
831 1 123 ILE MD 1 128 LEU MD1 . . 3.510 3.328 1.966 3.468 . 0 0 "[ . 1 . 2]" 1
832 1 69 LEU HG 1 128 LEU MD1 . . 4.260 3.477 3.053 3.786 . 0 0 "[ . 1 . 2]" 1
833 1 123 ILE HG13 1 128 LEU MD1 . . 4.500 4.576 4.504 4.640 0.140 16 0 "[ . 1 . 2]" 1
834 1 128 LEU MD1 1 128 LEU MD2 . . 2.430 2.075 2.052 2.091 . 0 0 "[ . 1 . 2]" 1
835 1 128 LEU HA 1 128 LEU MD1 . . 3.810 3.749 3.431 3.822 0.012 20 0 "[ . 1 . 2]" 1
836 1 69 LEU MD1 1 128 LEU MD1 . . 3.490 1.832 1.795 1.878 . 0 0 "[ . 1 . 2]" 1
837 1 99 LEU QB 1 125 ARG HA . . 4.830 4.120 3.181 4.930 0.100 6 0 "[ . 1 . 2]" 1
838 1 99 LEU MD2 1 125 ARG HA . . 4.500 3.377 1.885 4.504 0.004 4 0 "[ . 1 . 2]" 1
839 1 99 LEU MD1 1 125 ARG HA . . 4.290 3.658 2.113 4.389 0.099 20 0 "[ . 1 . 2]" 1
840 1 76 SER HB2 1 116 THR HB . . 4.890 4.853 4.616 5.033 0.143 11 0 "[ . 1 . 2]" 1
841 1 52 HIS HA 1 119 ASP HA . . 4.400 2.367 2.032 2.581 . 0 0 "[ . 1 . 2]" 1
842 1 88 ILE HB 1 88 ILE MD . . 3.470 3.209 3.202 3.217 . 0 0 "[ . 1 . 2]" 1
843 1 77 ILE HB 1 88 ILE HB . . 4.480 4.324 4.224 4.384 . 0 0 "[ . 1 . 2]" 1
844 1 146 LEU HA 1 146 LEU MD1 . . 3.730 2.846 2.087 3.645 . 0 0 "[ . 1 . 2]" 1
845 1 137 GLU HA 1 140 ASP HB3 . . 4.850 4.008 3.686 4.349 . 0 0 "[ . 1 . 2]" 1
846 1 89 LEU HG 1 149 THR MG . . 4.080 4.244 4.182 4.299 0.219 12 0 "[ . 1 . 2]" 1
847 1 81 ARG HA 1 81 ARG HG3 . . 4.170 3.230 3.172 3.658 . 0 0 "[ . 1 . 2]" 1
848 1 79 ILE MG 1 112 VAL MG1 . . 4.160 4.195 4.140 4.236 0.076 14 0 "[ . 1 . 2]" 1
849 1 79 ILE HA 1 112 VAL MG1 . . 4.580 3.833 3.693 3.971 . 0 0 "[ . 1 . 2]" 1
850 1 60 VAL MG2 1 112 VAL MG1 . . 4.000 2.408 2.333 2.527 . 0 0 "[ . 1 . 2]" 1
851 1 60 VAL HB 1 112 VAL MG1 . . 3.950 3.599 3.503 3.673 . 0 0 "[ . 1 . 2]" 1
852 1 79 ILE MD 1 112 VAL MG1 . . 3.830 3.249 3.175 3.356 . 0 0 "[ . 1 . 2]" 1
853 1 60 VAL MG1 1 112 VAL MG1 . . 4.500 4.516 4.455 4.582 0.082 2 0 "[ . 1 . 2]" 1
854 1 79 ILE HG12 1 112 VAL MG1 . . 4.030 2.580 2.495 2.663 . 0 0 "[ . 1 . 2]" 1
855 1 59 LEU MD2 1 112 VAL MG1 . . 3.530 2.356 2.228 2.480 . 0 0 "[ . 1 . 2]" 1
856 1 59 LEU MD1 1 112 VAL MG1 . . 4.000 4.124 4.104 4.144 0.144 12 0 "[ . 1 . 2]" 1
857 1 129 LEU HA 1 129 LEU MD2 . . 4.280 2.824 1.937 3.843 . 0 0 "[ . 1 . 2]" 1
858 1 36 ALA MB 1 41 LEU HB2 . . 4.390 1.991 1.908 2.081 . 0 0 "[ . 1 . 2]" 1
859 1 41 LEU HB2 1 45 ALA MB . . 4.500 4.503 4.344 4.711 0.211 18 0 "[ . 1 . 2]" 1
860 1 36 ALA HA 1 41 LEU HB2 . . 4.730 3.595 3.432 3.767 . 0 0 "[ . 1 . 2]" 1
861 1 41 LEU HB2 1 41 LEU MD1 . . 3.550 2.260 2.060 2.395 . 0 0 "[ . 1 . 2]" 1
862 1 60 VAL HA 1 60 VAL MG1 . . 3.710 2.157 2.083 2.213 . 0 0 "[ . 1 . 2]" 1
863 1 58 THR MG 1 113 ARG HG2 . . 4.450 4.457 4.371 4.512 0.062 16 0 "[ . 1 . 2]" 1
864 1 58 THR MG 1 111 ASP HA . . 4.520 3.921 3.824 4.208 . 0 0 "[ . 1 . 2]" 1
865 1 58 THR MG 1 113 ARG HG3 . . 4.650 3.988 3.886 4.120 . 0 0 "[ . 1 . 2]" 1
866 1 58 THR MG 1 61 HIS HA . . 4.140 3.471 3.364 3.634 . 0 0 "[ . 1 . 2]" 1
867 1 58 THR MG 1 60 VAL MG2 . . 4.440 4.514 4.502 4.529 0.089 6 0 "[ . 1 . 2]" 1
868 1 58 THR MG 1 60 VAL HB . . 4.500 4.552 4.475 4.594 0.094 16 0 "[ . 1 . 2]" 1
869 1 58 THR MG 1 111 ASP HB3 . . 4.970 3.139 2.711 4.659 . 0 0 "[ . 1 . 2]" 1
870 1 58 THR MG 1 113 ARG HA . . 4.250 2.899 2.709 3.220 . 0 0 "[ . 1 . 2]" 1
871 1 58 THR MG 1 111 ASP HB2 . . 4.710 3.816 3.553 4.235 . 0 0 "[ . 1 . 2]" 1
872 1 58 THR HA 1 58 THR MG . . 3.650 2.260 2.240 2.279 . 0 0 "[ . 1 . 2]" 1
873 1 80 LEU MD1 1 85 VAL MG2 . . 3.800 3.859 3.586 3.960 0.160 20 0 "[ . 1 . 2]" 1
874 1 85 VAL MG1 1 85 VAL MG2 . . 2.400 1.977 1.960 2.073 . 0 0 "[ . 1 . 2]" 1
875 1 80 LEU MD2 1 85 VAL MG2 . . 3.900 4.064 4.024 4.113 0.213 3 0 "[ . 1 . 2]" 1
876 1 141 HIS HA 1 144 SER HA . . 5.000 4.981 4.828 5.081 0.081 20 0 "[ . 1 . 2]" 1
877 1 138 PHE QD 1 141 HIS HA . . 5.500 5.567 5.518 5.653 0.153 16 0 "[ . 1 . 2]" 1
878 1 138 PHE HA 1 141 HIS QB . . 4.790 3.631 3.421 3.902 . 0 0 "[ . 1 . 2]" 1
879 1 138 PHE HA 1 138 PHE QD . . 4.200 2.044 1.905 2.306 . 0 0 "[ . 1 . 2]" 1
880 1 60 VAL HB 1 112 VAL HB . . 4.230 2.092 2.051 2.144 . 0 0 "[ . 1 . 2]" 1
881 1 122 LYS HB3 1 122 LYS QE . . 4.130 2.176 2.077 2.348 . 0 0 "[ . 1 . 2]" 1
882 1 122 LYS HB2 1 122 LYS QE . . 3.980 3.301 2.325 3.691 . 0 0 "[ . 1 . 2]" 1
883 1 69 LEU MD2 1 128 LEU QB . . 4.610 3.018 2.636 3.562 . 0 0 "[ . 1 . 2]" 1
884 1 123 ILE MD 1 128 LEU QB . . 4.080 2.805 1.919 3.030 . 0 0 "[ . 1 . 2]" 1
885 1 69 LEU HG 1 128 LEU QB . . 4.770 4.543 3.877 4.804 0.034 10 0 "[ . 1 . 2]" 1
886 1 53 ALA MB 1 57 ASP HB2 . . 3.790 3.734 3.592 3.807 0.017 15 0 "[ . 1 . 2]" 1
887 1 57 ASP HB2 1 114 ALA MB . . 4.540 3.502 3.346 3.596 . 0 0 "[ . 1 . 2]" 1
888 1 53 ALA HA 1 57 ASP HB2 . . 4.950 3.615 3.587 3.661 . 0 0 "[ . 1 . 2]" 1
889 1 57 ASP HB2 1 59 LEU MD2 . . 4.190 4.130 4.002 4.212 0.022 6 0 "[ . 1 . 2]" 1
890 1 57 ASP HB2 1 59 LEU MD1 . . 4.500 4.509 4.398 4.573 0.073 18 0 "[ . 1 . 2]" 1
891 1 132 LEU MD2 1 139 SER HB3 . . 4.480 2.310 1.873 3.359 . 0 0 "[ . 1 . 2]" 1
892 1 136 PRO HA 1 139 SER HB3 . . 4.470 3.020 2.395 4.302 . 0 0 "[ . 1 . 2]" 1
893 1 137 GLU HA 1 137 GLU HG2 . . 3.820 3.356 2.282 3.745 . 0 0 "[ . 1 . 2]" 1
894 1 153 ARG HB2 1 153 ARG QD . . 3.600 2.814 2.000 3.293 . 0 0 "[ . 1 . 2]" 1
895 1 153 ARG HA 1 153 ARG QD . . 5.080 3.771 3.100 4.140 . 0 0 "[ . 1 . 2]" 1
896 1 153 ARG HB3 1 153 ARG QD . . 3.380 2.240 1.963 3.194 . 0 0 "[ . 1 . 2]" 1
897 1 36 ALA MB 1 41 LEU HG . . 3.920 3.226 2.200 3.818 . 0 0 "[ . 1 . 2]" 1
898 1 36 ALA MB 1 41 LEU MD2 . . 3.500 3.471 3.238 3.609 0.109 15 0 "[ . 1 . 2]" 1
899 1 36 ALA MB 1 138 PHE QD . . 5.000 4.939 4.584 5.136 0.136 18 0 "[ . 1 . 2]" 1
900 1 36 ALA MB 1 40 CYS HB2 . . 4.390 3.919 3.080 4.434 0.044 15 0 "[ . 1 . 2]" 1
901 1 36 ALA MB 1 41 LEU MD1 . . 2.620 2.001 1.892 2.284 . 0 0 "[ . 1 . 2]" 1
902 1 98 PRO HA 1 148 ILE MD . . 4.020 3.919 3.418 4.081 0.061 5 0 "[ . 1 . 2]" 1
903 1 61 HIS HA 1 111 ASP HA . . 4.020 2.030 1.969 2.183 . 0 0 "[ . 1 . 2]" 1
904 1 60 VAL HB 1 111 ASP HA . . 4.890 4.084 3.761 4.354 . 0 0 "[ . 1 . 2]" 1
905 1 79 ILE MG 1 86 VAL MG1 . . 3.400 3.426 3.387 3.452 0.052 3 0 "[ . 1 . 2]" 1
906 1 79 ILE MD 1 79 ILE MG . . 3.170 2.053 1.924 2.119 . 0 0 "[ . 1 . 2]" 1
907 1 79 ILE MG 1 86 VAL HA . . 5.500 5.501 5.424 5.550 0.050 14 0 "[ . 1 . 2]" 1
908 1 79 ILE HG12 1 79 ILE MG . . 3.690 2.390 2.352 2.446 . 0 0 "[ . 1 . 2]" 1
909 1 44 LEU QB 1 131 VAL MG2 . . 4.150 3.929 3.665 4.152 0.002 10 0 "[ . 1 . 2]" 1
910 1 91 LYS QE 1 91 LYS HG3 . . 3.350 2.403 2.240 2.417 . 0 0 "[ . 1 . 2]" 1
911 1 91 LYS QD 1 91 LYS HG3 . . 2.680 2.345 2.337 2.398 . 0 0 "[ . 1 . 2]" 1
912 1 122 LYS HB3 1 122 LYS HG2 . . 2.980 2.557 2.255 2.774 . 0 0 "[ . 1 . 2]" 1
913 1 76 SER HB2 1 115 LEU HB3 . . 4.450 4.329 4.043 4.479 0.029 17 0 "[ . 1 . 2]" 1
914 1 76 SER HB2 1 115 LEU HB2 . . 4.630 3.575 3.393 3.759 . 0 0 "[ . 1 . 2]" 1
915 1 76 SER HB2 1 90 GLY HA2 . . 4.180 4.088 3.853 4.259 0.079 20 0 "[ . 1 . 2]" 1
916 1 76 SER HB2 1 115 LEU MD1 . . 3.950 3.378 3.254 3.492 . 0 0 "[ . 1 . 2]" 1
917 1 76 SER HB2 1 90 GLY HA3 . . 4.790 4.805 4.716 4.860 0.070 5 0 "[ . 1 . 2]" 1
918 1 127 ASP HA 1 130 GLU HB2 . . 4.630 2.588 2.409 3.159 . 0 0 "[ . 1 . 2]" 1
919 1 127 ASP HA 1 130 GLU HB3 . . 4.130 4.091 3.857 4.203 0.073 2 0 "[ . 1 . 2]" 1
920 1 53 ALA MB 1 118 CYS HB3 . . 4.460 4.488 4.428 4.534 0.074 16 0 "[ . 1 . 2]" 1
921 1 53 ALA MB 1 118 CYS HB2 . . 4.500 4.570 4.548 4.590 0.090 13 0 "[ . 1 . 2]" 1
922 1 51 THR MG 1 53 ALA MB . . 2.900 3.010 2.964 3.034 0.134 16 0 "[ . 1 . 2]" 1
923 1 53 ALA MB 1 59 LEU HG . . 3.590 2.826 2.761 2.878 . 0 0 "[ . 1 . 2]" 1
924 1 53 ALA MB 1 114 ALA MB . . 3.620 1.915 1.833 2.001 . 0 0 "[ . 1 . 2]" 1
925 1 53 ALA MB 1 59 LEU QB . . 4.000 3.934 3.906 3.966 . 0 0 "[ . 1 . 2]" 1
926 1 53 ALA MB 1 57 ASP HB3 . . 3.530 3.228 2.998 3.353 . 0 0 "[ . 1 . 2]" 1
927 1 53 ALA MB 1 59 LEU MD2 . . 3.210 1.853 1.814 1.897 . 0 0 "[ . 1 . 2]" 1
928 1 53 ALA MB 1 59 LEU MD1 . . 2.980 1.755 1.713 1.811 . 0 0 "[ . 1 . 2]" 1
929 1 69 LEU MD2 1 123 ILE MD . . 4.130 3.956 3.694 4.238 0.108 10 0 "[ . 1 . 2]" 1
930 1 69 LEU MD2 1 123 ILE MG . . 4.070 3.153 3.011 3.269 . 0 0 "[ . 1 . 2]" 1
931 1 69 LEU MD2 1 128 LEU MD2 . . 3.940 3.908 3.029 4.199 0.259 20 0 "[ . 1 . 2]" 1
932 1 69 LEU MD1 1 69 LEU MD2 . . 2.400 2.058 1.889 2.089 . 0 0 "[ . 1 . 2]" 1
933 1 69 LEU HA 1 69 LEU MD2 . . 4.370 3.249 2.477 3.560 . 0 0 "[ . 1 . 2]" 1
934 1 62 ALA MB 1 110 GLY HA2 . . 3.960 2.701 2.253 2.992 . 0 0 "[ . 1 . 2]" 1
935 1 65 LEU MD2 1 67 THR MG . . 3.430 1.889 1.795 2.165 . 0 0 "[ . 1 . 2]" 1
936 1 65 LEU MD2 1 105 PRO HB3 . . 4.120 4.152 4.092 4.197 0.077 10 0 "[ . 1 . 2]" 1
937 1 65 LEU HB2 1 65 LEU MD2 . . 3.350 2.403 2.233 2.633 . 0 0 "[ . 1 . 2]" 1
938 1 80 LEU HA 1 80 LEU MD1 . . 3.880 2.944 2.864 3.035 . 0 0 "[ . 1 . 2]" 1
939 1 80 LEU MD1 1 113 ARG HB3 . . 3.790 2.540 2.433 2.627 . 0 0 "[ . 1 . 2]" 1
940 1 80 LEU MD1 1 85 VAL MG1 . . 3.030 1.927 1.863 1.959 . 0 0 "[ . 1 . 2]" 1
941 1 80 LEU MD1 1 113 ARG QD . . 4.140 3.464 3.412 3.510 . 0 0 "[ . 1 . 2]" 1
942 1 80 LEU MD1 1 113 ARG HB2 . . 3.780 2.635 2.456 2.751 . 0 0 "[ . 1 . 2]" 1
943 1 80 LEU MD1 1 80 LEU MD2 . . 2.400 1.999 1.902 2.056 . 0 0 "[ . 1 . 2]" 1
944 1 80 LEU QB 1 80 LEU MD1 . . 3.060 2.198 2.053 2.230 . 0 0 "[ . 1 . 2]" 1
945 1 78 GLU QG 1 80 LEU MD1 . . 4.280 3.155 2.334 3.787 . 0 0 "[ . 1 . 2]" 1
946 1 91 LYS QE 1 91 LYS HG2 . . 3.470 3.308 3.292 3.325 . 0 0 "[ . 1 . 2]" 1
947 1 91 LYS HB3 1 91 LYS QE . . 3.500 2.644 2.577 2.790 . 0 0 "[ . 1 . 2]" 1
948 1 91 LYS HB2 1 91 LYS QE . . 2.610 2.050 1.968 2.433 . 0 0 "[ . 1 . 2]" 1
949 1 134 MET HB3 1 134 MET ME . . 3.350 2.383 1.976 3.126 . 0 0 "[ . 1 . 2]" 1
950 1 99 LEU MD1 1 99 LEU MD2 . . 2.400 2.001 1.919 2.071 . 0 0 "[ . 1 . 2]" 1
951 1 74 ARG HA 1 74 ARG HG3 . . 4.210 2.635 2.365 4.155 . 0 0 "[ . 1 . 2]" 1
952 1 69 LEU QB 1 69 LEU HG . . 2.620 2.482 2.368 2.509 . 0 0 "[ . 1 . 2]" 1
953 1 69 LEU QB 1 123 ILE MG . . 4.590 3.019 1.866 3.300 . 0 0 "[ . 1 . 2]" 1
954 1 46 MET HA 1 46 MET HG2 . . 4.330 3.417 2.261 3.918 . 0 0 "[ . 1 . 2]" 1
955 1 46 MET HA 1 46 MET HG3 . . 4.420 2.860 2.386 3.806 . 0 0 "[ . 1 . 2]" 1
956 1 46 MET HA 1 46 MET ME . . 3.900 3.985 3.751 4.096 0.196 7 0 "[ . 1 . 2]" 1
957 1 80 LEU HA 1 85 VAL MG2 . . 4.610 4.000 3.798 4.055 . 0 0 "[ . 1 . 2]" 1
958 1 80 LEU HA 1 85 VAL MG1 . . 4.610 2.220 1.933 2.350 . 0 0 "[ . 1 . 2]" 1
959 1 80 LEU HA 1 80 LEU MD2 . . 3.900 3.655 3.637 3.665 . 0 0 "[ . 1 . 2]" 1
960 1 134 MET HB2 1 134 MET ME . . 3.950 2.688 1.900 3.274 . 0 0 "[ . 1 . 2]" 1
961 1 97 GLU QB 1 98 PRO HD2 . . 4.250 4.023 3.263 4.155 . 0 0 "[ . 1 . 2]" 1
962 1 97 GLU QB 1 98 PRO HD3 . . 4.560 4.452 4.226 4.487 . 0 0 "[ . 1 . 2]" 1
963 1 66 LEU HA 1 66 LEU MD2 . . 3.660 2.935 2.276 3.672 0.012 9 0 "[ . 1 . 2]" 1
964 1 62 ALA MB 1 109 ASN HA . . 4.430 3.952 3.315 4.444 0.014 9 0 "[ . 1 . 2]" 1
965 1 79 ILE HA 1 79 ILE MD . . 3.960 3.794 3.762 3.812 . 0 0 "[ . 1 . 2]" 1
966 1 34 ARG HA 1 34 ARG QG . . 3.770 2.443 2.004 2.935 . 0 0 "[ . 1 . 2]" 1
967 1 42 ARG QD 1 45 ALA MB . . 3.980 4.071 3.767 4.173 0.193 20 0 "[ . 1 . 2]" 1
968 1 42 ARG HA 1 42 ARG QD . . 4.420 1.997 1.954 2.114 . 0 0 "[ . 1 . 2]" 1
969 1 44 LEU MD2 1 123 ILE MD . . 3.420 3.046 2.172 3.390 . 0 0 "[ . 1 . 2]" 1
970 1 123 ILE MD 1 123 ILE MG . . 3.420 2.340 2.010 2.480 . 0 0 "[ . 1 . 2]" 1
971 1 123 ILE MD 1 128 LEU MD2 . . 3.780 2.408 2.172 3.786 0.006 10 0 "[ . 1 . 2]" 1
972 1 123 ILE MD 1 128 LEU HA . . 4.310 2.038 1.922 2.264 . 0 0 "[ . 1 . 2]" 1
973 1 69 LEU MD1 1 123 ILE MD . . 3.860 2.957 2.289 3.354 . 0 0 "[ . 1 . 2]" 1
974 1 44 LEU HA 1 123 ILE MD . . 4.400 4.272 3.825 4.492 0.092 12 0 "[ . 1 . 2]" 1
975 1 38 LYS HB2 1 38 LYS QD . . 3.440 2.959 2.108 3.417 . 0 0 "[ . 1 . 2]" 1
976 1 38 LYS HB2 1 38 LYS QE . . 3.780 3.399 2.438 3.768 . 0 0 "[ . 1 . 2]" 1
977 1 47 LYS HA 1 47 LYS QE . . 4.500 3.643 1.967 4.616 0.116 1 0 "[ . 1 . 2]" 1
978 1 74 ARG HA 1 74 ARG HG2 . . 3.690 3.089 2.316 3.639 . 0 0 "[ . 1 . 2]" 1
979 1 40 CYS HA 1 135 TYR QD . . 5.000 3.540 2.378 4.967 . 0 0 "[ . 1 . 2]" 1
980 1 40 CYS HA 1 43 ALA MB . . 4.190 3.429 3.200 3.650 . 0 0 "[ . 1 . 2]" 1
981 1 75 GLY HA3 1 118 CYS HA . . 4.050 3.425 2.981 3.614 . 0 0 "[ . 1 . 2]" 1
982 1 132 LEU MD2 1 142 PHE QD . . 4.610 3.252 2.445 3.888 . 0 0 "[ . 1 . 2]" 1
983 1 132 LEU MD2 1 139 SER HB2 . . 5.040 2.180 1.866 3.314 . 0 0 "[ . 1 . 2]" 1
984 1 132 LEU HA 1 132 LEU MD2 . . 3.800 2.547 1.969 3.784 . 0 0 "[ . 1 . 2]" 1
985 1 132 LEU MD2 1 139 SER HA . . 4.060 3.332 2.650 4.069 0.009 8 0 "[ . 1 . 2]" 1
986 1 132 LEU MD2 1 142 PHE QE . . 3.760 3.683 3.151 3.869 0.109 20 0 "[ . 1 . 2]" 1
987 1 42 ARG HA 1 45 ALA MB . . 3.650 3.333 3.045 3.473 . 0 0 "[ . 1 . 2]" 1
988 1 150 PHE HA 1 150 PHE QD . . 4.370 2.528 2.152 2.956 . 0 0 "[ . 1 . 2]" 1
989 1 131 VAL HB 1 134 MET ME . . 4.500 4.491 4.392 4.598 0.098 8 0 "[ . 1 . 2]" 1
990 1 128 LEU MD2 1 131 VAL HB . . 4.210 3.444 3.113 4.383 0.173 10 0 "[ . 1 . 2]" 1
991 1 128 LEU HA 1 131 VAL HB . . 4.390 3.202 2.861 3.373 . 0 0 "[ . 1 . 2]" 1
992 1 77 ILE QG 1 88 ILE HG13 . . 3.740 2.973 2.900 3.090 . 0 0 "[ . 1 . 2]" 1
993 1 77 ILE MG 1 88 ILE HG13 . . 4.210 2.211 1.968 2.306 . 0 0 "[ . 1 . 2]" 1
994 1 77 ILE MD 1 88 ILE HG13 . . 4.500 4.503 4.438 4.540 0.040 12 0 "[ . 1 . 2]" 1
995 1 88 ILE HG13 1 88 ILE MG . . 3.420 2.483 2.424 2.494 . 0 0 "[ . 1 . 2]" 1
996 1 107 LYS HA 1 107 LYS HG2 . . 4.140 3.150 3.073 4.236 0.096 9 0 "[ . 1 . 2]" 1
997 1 107 LYS QE 1 107 LYS HG2 . . 3.780 2.048 1.972 2.166 . 0 0 "[ . 1 . 2]" 1
998 1 107 LYS HD2 1 107 LYS HG2 . . 3.080 2.873 2.867 2.917 . 0 0 "[ . 1 . 2]" 1
999 1 67 THR MG 1 125 ARG HG2 . . 3.940 3.998 3.859 4.043 0.103 17 0 "[ . 1 . 2]" 1
1000 1 74 ARG HA 1 74 ARG QD . . 4.200 3.865 3.519 4.077 . 0 0 "[ . 1 . 2]" 1
1001 1 129 LEU HA 1 132 LEU HB2 . . 4.510 2.714 2.592 2.936 . 0 0 "[ . 1 . 2]" 1
1002 1 149 THR HA 1 149 THR MG . . 3.350 2.450 2.402 2.513 . 0 0 "[ . 1 . 2]" 1
1003 1 71 PHE QB 1 94 ILE MD . . 4.710 4.168 3.696 4.792 0.082 13 0 "[ . 1 . 2]" 1
1004 1 94 ILE MD 1 146 LEU MD1 . . 3.550 2.115 1.780 3.339 . 0 0 "[ . 1 . 2]" 1
1005 1 94 ILE MD 1 148 ILE HB . . 4.000 4.203 4.139 4.271 0.271 9 0 "[ . 1 . 2]" 1
1006 1 94 ILE MD 1 148 ILE MD . . 3.420 3.356 3.209 3.437 0.017 5 0 "[ . 1 . 2]" 1
1007 1 94 ILE HA 1 94 ILE MD . . 4.430 3.838 3.812 3.861 . 0 0 "[ . 1 . 2]" 1
1008 1 94 ILE MD 1 148 ILE HA . . 4.420 2.774 2.602 2.871 . 0 0 "[ . 1 . 2]" 1
1009 1 71 PHE QD 1 94 ILE MD . . 4.680 3.145 2.660 3.617 . 0 0 "[ . 1 . 2]" 1
1010 1 94 ILE MD 1 94 ILE MG . . 3.210 2.038 1.911 2.147 . 0 0 "[ . 1 . 2]" 1
1011 1 71 PHE HA 1 94 ILE MD . . 4.650 4.775 4.703 4.913 0.263 9 0 "[ . 1 . 2]" 1
1012 1 86 VAL MG1 1 88 ILE MD . . 3.980 3.962 3.947 3.972 . 0 0 "[ . 1 . 2]" 1
1013 1 78 GLU HA 1 88 ILE MD . . 4.110 3.161 2.993 3.441 . 0 0 "[ . 1 . 2]" 1
1014 1 88 ILE HA 1 88 ILE MD . . 3.740 2.764 2.557 2.900 . 0 0 "[ . 1 . 2]" 1
1015 1 86 VAL MG2 1 88 ILE MD . . 3.160 1.769 1.747 1.789 . 0 0 "[ . 1 . 2]" 1
1016 1 86 VAL HA 1 88 ILE MD . . 4.740 4.626 4.576 4.719 . 0 0 "[ . 1 . 2]" 1
1017 1 88 ILE MD 1 88 ILE MG . . 2.400 1.923 1.904 2.004 . 0 0 "[ . 1 . 2]" 1
1018 1 65 LEU HB3 1 107 LYS HA . . 4.500 4.631 4.555 4.702 0.202 1 0 "[ . 1 . 2]" 1
1019 1 65 LEU HB3 1 65 LEU MD1 . . 3.000 3.169 3.115 3.181 0.181 13 0 "[ . 1 . 2]" 1
1020 1 65 LEU HB3 1 67 THR MG . . 4.000 3.990 3.863 4.090 0.090 9 0 "[ . 1 . 2]" 1
1021 1 91 LYS HA 1 91 LYS QD . . 4.780 4.476 4.324 4.501 . 0 0 "[ . 1 . 2]" 1
1022 1 41 LEU HA 1 41 LEU MD2 . . 3.950 3.815 3.505 3.999 0.049 8 0 "[ . 1 . 2]" 1
1023 1 41 LEU MD1 1 41 LEU MD2 . . 2.400 2.029 1.905 2.082 . 0 0 "[ . 1 . 2]" 1
1024 1 63 GLY HA2 1 107 LYS HB3 . . 4.900 2.877 2.293 4.843 . 0 0 "[ . 1 . 2]" 1
1025 1 98 PRO HD2 1 148 ILE MD . . 4.430 3.855 3.473 4.495 0.065 20 0 "[ . 1 . 2]" 1
1026 1 97 GLU HA 1 98 PRO HD2 . . 4.500 1.976 1.912 2.017 . 0 0 "[ . 1 . 2]" 1
1027 1 131 VAL HA 1 131 VAL MG1 . . 3.400 2.390 2.326 2.428 . 0 0 "[ . 1 . 2]" 1
1028 1 131 VAL MG1 1 134 MET ME . . 3.660 3.617 2.842 3.693 0.033 20 0 "[ . 1 . 2]" 1
1029 1 43 ALA MB 1 131 VAL MG1 . . 3.330 2.619 2.270 2.950 . 0 0 "[ . 1 . 2]" 1
1030 1 131 VAL MG1 1 131 VAL MG2 . . 2.400 2.038 1.898 2.088 . 0 0 "[ . 1 . 2]" 1
1031 1 37 THR HA 1 37 THR MG . . 3.220 2.526 1.975 3.201 . 0 0 "[ . 1 . 2]" 1
1032 1 65 LEU MD1 1 107 LYS HA . . 3.870 2.789 2.309 3.191 . 0 0 "[ . 1 . 2]" 1
1033 1 65 LEU HA 1 107 LYS HA . . 3.900 1.954 1.909 2.030 . 0 0 "[ . 1 . 2]" 1
1034 1 107 LYS HA 1 107 LYS HD3 . . 4.080 4.226 3.861 4.249 0.169 18 0 "[ . 1 . 2]" 1
1035 1 107 LYS HA 1 107 LYS HG3 . . 4.140 2.298 2.221 3.651 . 0 0 "[ . 1 . 2]" 1
1036 1 107 LYS HA 1 107 LYS HD2 . . 4.170 4.192 4.167 4.375 0.205 9 0 "[ . 1 . 2]" 1
1037 1 120 LEU MD1 1 120 LEU MD2 . . 2.640 2.028 1.980 2.068 . 0 0 "[ . 1 . 2]" 1
1038 1 59 LEU MD2 1 120 LEU MD2 . . 3.520 3.256 3.116 3.377 . 0 0 "[ . 1 . 2]" 1
1039 1 59 LEU MD1 1 120 LEU MD2 . . 3.500 3.540 3.480 3.588 0.088 18 0 "[ . 1 . 2]" 1
1040 1 72 ILE QG 1 77 ILE MG . . 4.740 3.453 3.311 3.605 . 0 0 "[ . 1 . 2]" 1
1041 1 72 ILE QG 1 77 ILE MD . . 4.220 4.154 3.701 4.271 0.051 13 0 "[ . 1 . 2]" 1
1042 1 89 LEU HA 1 89 LEU MD2 . . 3.580 3.448 3.408 3.489 . 0 0 "[ . 1 . 2]" 1
1043 1 89 LEU HA 1 89 LEU MD1 . . 4.390 1.941 1.932 1.950 . 0 0 "[ . 1 . 2]" 1
1044 1 105 PRO HB3 1 105 PRO HG2 . . 2.900 2.994 2.993 2.995 0.095 14 0 "[ . 1 . 2]" 1
1045 1 65 LEU MD1 1 67 THR MG . . 3.070 2.638 2.315 2.888 . 0 0 "[ . 1 . 2]" 1
1046 1 65 LEU MD1 1 105 PRO HB3 . . 3.550 3.366 3.031 3.560 0.010 6 0 "[ . 1 . 2]" 1
1047 1 65 LEU HA 1 65 LEU MD1 . . 3.290 2.230 2.003 2.575 . 0 0 "[ . 1 . 2]" 1
1048 1 65 LEU HB2 1 65 LEU MD1 . . 3.230 2.256 2.062 2.421 . 0 0 "[ . 1 . 2]" 1
1049 1 33 PHE HA 1 142 PHE QD . . 5.000 4.297 3.633 4.821 . 0 0 "[ . 1 . 2]" 1
1050 1 33 PHE HA 1 33 PHE QD . . 4.190 2.038 1.955 2.223 . 0 0 "[ . 1 . 2]" 1
1051 1 151 ASN HB3 1 154 ASP HA . . 4.000 3.876 3.121 4.027 0.027 9 0 "[ . 1 . 2]" 1
1052 1 32 PRO HA 1 145 SER QB . . 4.300 4.270 3.638 4.492 0.192 9 0 "[ . 1 . 2]" 1
1053 1 142 PHE QE 1 146 LEU MD2 . . 4.620 3.798 1.924 4.511 . 0 0 "[ . 1 . 2]" 1
1054 1 118 CYS HB3 1 120 LEU MD1 . . 4.320 4.409 4.364 4.453 0.133 11 0 "[ . 1 . 2]" 1
1055 1 118 CYS HB3 1 120 LEU HG . . 5.070 5.056 4.918 5.125 0.055 13 0 "[ . 1 . 2]" 1
1056 1 86 VAL MG1 1 150 PHE QD . . 4.560 4.505 4.151 4.606 0.046 12 0 "[ . 1 . 2]" 1
1057 1 86 VAL MG1 1 150 PHE QE . . 4.000 2.551 2.157 2.736 . 0 0 "[ . 1 . 2]" 1
1058 1 81 ARG HB2 1 86 VAL MG1 . . 3.960 3.060 2.999 3.150 . 0 0 "[ . 1 . 2]" 1
1059 1 79 ILE HB 1 86 VAL MG1 . . 4.000 4.123 4.102 4.159 0.159 19 0 "[ . 1 . 2]" 1
1060 1 81 ARG HA 1 86 VAL MG1 . . 4.540 4.635 4.302 4.685 0.145 12 0 "[ . 1 . 2]" 1
1061 1 79 ILE MD 1 86 VAL MG1 . . 4.500 4.579 4.564 4.603 0.103 16 0 "[ . 1 . 2]" 1
1062 1 86 VAL MG1 1 86 VAL MG2 . . 2.960 1.984 1.973 2.031 . 0 0 "[ . 1 . 2]" 1
1063 1 86 VAL HA 1 86 VAL MG1 . . 3.720 1.966 1.956 2.012 . 0 0 "[ . 1 . 2]" 1
1064 1 81 ARG QD 1 86 VAL MG1 . . 3.880 2.354 2.293 2.406 . 0 0 "[ . 1 . 2]" 1
1065 1 81 ARG HB3 1 86 VAL MG1 . . 3.630 2.580 2.501 2.639 . 0 0 "[ . 1 . 2]" 1
1066 1 38 LYS HB3 1 38 LYS QD . . 2.670 2.456 2.239 2.692 0.022 14 0 "[ . 1 . 2]" 1
1067 1 38 LYS HA 1 38 LYS QD . . 4.160 3.209 2.005 4.185 0.025 14 0 "[ . 1 . 2]" 1
1068 1 105 PRO QD 1 105 PRO HG3 . . 2.670 2.184 2.184 2.185 . 0 0 "[ . 1 . 2]" 1
1069 1 38 LYS HB3 1 38 LYS QE . . 3.700 2.826 2.099 3.708 0.008 14 0 "[ . 1 . 2]" 1
1070 1 148 ILE MG 1 151 ASN HA . . 4.070 2.850 2.643 3.199 . 0 0 "[ . 1 . 2]" 1
1071 1 142 PHE QE 1 146 LEU MD1 . . 4.570 3.067 1.970 4.286 . 0 0 "[ . 1 . 2]" 1
1072 1 77 ILE QG 1 79 ILE MD . . 4.910 4.056 3.995 4.178 . 0 0 "[ . 1 . 2]" 1
1073 1 77 ILE QG 1 114 ALA MB . . 3.490 3.426 3.401 3.448 . 0 0 "[ . 1 . 2]" 1
1074 1 87 ALA HA 1 89 LEU MD2 . . 5.000 5.080 5.055 5.111 0.111 16 0 "[ . 1 . 2]" 1
1075 1 38 LYS HA 1 38 LYS QE . . 4.480 3.922 2.098 4.470 . 0 0 "[ . 1 . 2]" 1
1076 1 80 LEU MD2 1 113 ARG HB3 . . 4.710 4.483 4.358 4.592 . 0 0 "[ . 1 . 2]" 1
1077 1 58 THR HA 1 113 ARG HB3 . . 5.010 4.775 4.742 4.808 . 0 0 "[ . 1 . 2]" 1
1078 1 62 ALA MB 1 108 SER HB2 . . 4.570 4.351 4.055 4.606 0.036 11 0 "[ . 1 . 2]" 1
1079 1 62 ALA MB 1 110 GLY HA3 . . 4.310 4.115 3.691 4.313 0.003 4 0 "[ . 1 . 2]" 1
1080 1 148 ILE HB 1 148 ILE MD . . 3.650 2.330 2.226 2.382 . 0 0 "[ . 1 . 2]" 1
1081 1 94 ILE QG 1 148 ILE HB . . 4.000 4.129 4.085 4.179 0.179 2 0 "[ . 1 . 2]" 1
1082 1 94 ILE MG 1 148 ILE HB . . 4.260 4.286 4.267 4.315 0.055 7 0 "[ . 1 . 2]" 1
1083 1 148 ILE HA 1 148 ILE MD . . 4.330 3.773 3.733 3.796 . 0 0 "[ . 1 . 2]" 1
1084 1 148 ILE MD 1 148 ILE MG . . 2.400 2.042 1.941 2.315 . 0 0 "[ . 1 . 2]" 1
1085 1 76 SER HB3 1 115 LEU HB2 . . 4.430 2.593 2.414 2.716 . 0 0 "[ . 1 . 2]" 1
1086 1 115 LEU HB2 1 115 LEU MD2 . . 3.300 3.139 3.110 3.166 . 0 0 "[ . 1 . 2]" 1
1087 1 115 LEU HB2 1 115 LEU MD1 . . 3.200 2.103 1.983 2.244 . 0 0 "[ . 1 . 2]" 1
1088 1 78 GLU QG 1 115 LEU HB2 . . 5.500 4.741 4.274 5.231 . 0 0 "[ . 1 . 2]" 1
1089 1 80 LEU MD2 1 85 VAL MG1 . . 3.340 3.051 2.983 3.350 0.010 19 0 "[ . 1 . 2]" 1
1090 1 80 LEU QB 1 85 VAL MG1 . . 4.380 3.339 3.226 3.421 . 0 0 "[ . 1 . 2]" 1
1091 1 60 VAL MG2 1 112 VAL MG2 . . 3.820 2.184 2.050 2.299 . 0 0 "[ . 1 . 2]" 1
1092 1 79 ILE MD 1 112 VAL MG2 . . 3.940 2.043 1.913 2.283 . 0 0 "[ . 1 . 2]" 1
1093 1 77 ILE MG 1 112 VAL MG2 . . 4.500 4.549 4.525 4.579 0.079 17 0 "[ . 1 . 2]" 1
1094 1 79 ILE HG12 1 112 VAL MG2 . . 4.480 1.990 1.930 2.061 . 0 0 "[ . 1 . 2]" 1
1095 1 77 ILE MD 1 112 VAL MG2 . . 3.700 3.764 3.744 3.788 0.088 10 0 "[ . 1 . 2]" 1
1096 1 75 GLY HA2 1 118 CYS HB2 . . 4.860 4.782 4.560 4.946 0.086 13 0 "[ . 1 . 2]" 1
1097 1 118 CYS HB2 1 120 LEU MD1 . . 4.440 3.624 3.523 3.727 . 0 0 "[ . 1 . 2]" 1
1098 1 118 CYS HB2 1 120 LEU HG . . 4.660 3.718 3.537 3.851 . 0 0 "[ . 1 . 2]" 1
1099 1 70 TYR QB 1 122 LYS HA . . 5.150 4.564 4.489 4.911 . 0 0 "[ . 1 . 2]" 1
1100 1 122 LYS HA 1 122 LYS HD3 . . 5.330 4.436 3.773 4.573 . 0 0 "[ . 1 . 2]" 1
1101 1 137 GLU HA 1 140 ASP HA . . 5.500 5.535 5.438 5.603 0.103 18 0 "[ . 1 . 2]" 1
1102 1 66 LEU MD2 1 108 SER HB2 . . 4.470 3.757 3.158 4.121 . 0 0 "[ . 1 . 2]" 1
1103 1 62 ALA HA 1 108 SER HB2 . . 4.500 2.922 2.629 3.171 . 0 0 "[ . 1 . 2]" 1
1104 1 76 SER HB3 1 115 LEU HA . . 5.500 5.495 5.280 5.626 0.126 17 0 "[ . 1 . 2]" 1
1105 1 115 LEU HA 1 115 LEU MD2 . . 3.550 2.378 2.185 2.563 . 0 0 "[ . 1 . 2]" 1
1106 1 115 LEU HA 1 115 LEU MD1 . . 3.800 3.847 3.819 3.870 0.070 15 0 "[ . 1 . 2]" 1
1107 1 81 ARG HB2 1 86 VAL MG2 . . 4.680 3.724 3.619 3.964 . 0 0 "[ . 1 . 2]" 1
1108 1 81 ARG HB2 1 81 ARG QD . . 3.350 2.489 2.395 2.954 . 0 0 "[ . 1 . 2]" 1
1109 1 122 LYS HB2 1 122 LYS HD2 . . 3.800 3.699 3.533 3.873 0.073 10 0 "[ . 1 . 2]" 1
1110 1 70 TYR QD 1 122 LYS HD2 . . 4.880 4.849 4.283 4.958 0.078 11 0 "[ . 1 . 2]" 1
1111 1 101 LEU HA 1 101 LEU MD1 . . 4.480 2.827 1.985 3.961 . 0 0 "[ . 1 . 2]" 1
1112 1 53 ALA MB 1 59 LEU HA . . 4.370 4.237 4.136 4.324 . 0 0 "[ . 1 . 2]" 1
1113 1 59 LEU HA 1 59 LEU HG . . 4.400 3.688 3.680 3.697 . 0 0 "[ . 1 . 2]" 1
1114 1 59 LEU HA 1 59 LEU MD2 . . 3.930 3.094 3.035 3.158 . 0 0 "[ . 1 . 2]" 1
1115 1 59 LEU HA 1 59 LEU MD1 . . 3.470 1.928 1.919 1.934 . 0 0 "[ . 1 . 2]" 1
1116 1 138 PHE QD 1 141 HIS QB . . 4.550 3.125 2.771 3.400 . 0 0 "[ . 1 . 2]" 1
1117 1 99 LEU HA 1 99 LEU MD1 . . 4.080 3.198 2.074 4.091 0.011 5 0 "[ . 1 . 2]" 1
1118 1 58 THR MG 1 113 ARG QD . . 4.480 1.971 1.920 2.143 . 0 0 "[ . 1 . 2]" 1
1119 1 80 LEU MD2 1 113 ARG QD . . 4.070 4.095 4.032 4.112 0.042 17 0 "[ . 1 . 2]" 1
1120 1 113 ARG HA 1 113 ARG QD . . 5.080 2.578 2.470 2.723 . 0 0 "[ . 1 . 2]" 1
1121 1 79 ILE HB 1 79 ILE MD . . 3.730 2.334 2.301 2.391 . 0 0 "[ . 1 . 2]" 1
1122 1 79 ILE HB 1 86 VAL HA . . 5.500 5.626 5.606 5.636 0.136 6 0 "[ . 1 . 2]" 1
1123 1 33 PHE QD 1 44 LEU MD2 . . 4.030 4.098 4.041 4.146 0.116 8 0 "[ . 1 . 2]" 1
1124 1 44 LEU MD1 1 44 LEU MD2 . . 2.740 1.951 1.915 2.047 . 0 0 "[ . 1 . 2]" 1
1125 1 44 LEU HA 1 44 LEU MD2 . . 3.610 2.785 2.466 2.967 . 0 0 "[ . 1 . 2]" 1
1126 1 44 LEU MD2 1 131 VAL MG2 . . 3.300 2.986 2.445 3.308 0.008 16 0 "[ . 1 . 2]" 1
1127 1 78 GLU HB2 1 115 LEU MD2 . . 3.950 2.765 1.948 3.655 . 0 0 "[ . 1 . 2]" 1
1128 1 78 GLU HB2 1 115 LEU MD1 . . 4.000 3.127 2.400 3.935 . 0 0 "[ . 1 . 2]" 1
1129 1 99 LEU HA 1 99 LEU MD2 . . 4.710 3.155 1.929 3.933 . 0 0 "[ . 1 . 2]" 1
1130 1 99 LEU HA 1 125 ARG HB3 . . 4.500 4.539 4.489 4.637 0.137 14 0 "[ . 1 . 2]" 1
1131 1 84 VAL MG1 1 84 VAL MG2 . . 2.440 2.000 1.987 2.073 . 0 0 "[ . 1 . 2]" 1
1132 1 84 VAL HA 1 84 VAL MG2 . . 3.190 1.983 1.982 1.986 . 0 0 "[ . 1 . 2]" 1
1133 1 136 PRO HA 1 139 SER HB2 . . 4.150 4.025 2.978 4.224 0.074 20 0 "[ . 1 . 2]" 1
1134 1 94 ILE HA 1 148 ILE MG . . 5.160 5.184 5.031 5.240 0.080 6 0 "[ . 1 . 2]" 1
1135 1 71 PHE HA 1 94 ILE HA . . 4.470 3.298 3.029 3.602 . 0 0 "[ . 1 . 2]" 1
1136 1 69 LEU HG 1 128 LEU MD2 . . 5.000 5.082 5.018 5.148 0.148 13 0 "[ . 1 . 2]" 1
1137 1 81 ARG HA 1 81 ARG HG2 . . 4.040 3.630 3.596 3.636 . 0 0 "[ . 1 . 2]" 1
1138 1 81 ARG HA 1 81 ARG QD . . 4.430 4.275 4.178 4.364 . 0 0 "[ . 1 . 2]" 1
1139 1 34 ARG HB3 1 34 ARG HD2 . . 3.710 3.231 2.368 3.714 0.004 13 0 "[ . 1 . 2]" 1
1140 1 34 ARG HA 1 34 ARG HD2 . . 4.340 3.343 1.996 4.383 0.043 7 0 "[ . 1 . 2]" 1
1141 1 34 ARG HB2 1 34 ARG HD2 . . 3.940 3.054 2.454 3.946 0.006 10 0 "[ . 1 . 2]" 1
1142 1 122 LYS HB2 1 122 LYS HD3 . . 3.670 2.615 2.294 2.980 . 0 0 "[ . 1 . 2]" 1
1143 1 76 SER HB3 1 90 GLY HA2 . . 4.460 4.520 4.385 4.613 0.153 20 0 "[ . 1 . 2]" 1
1144 1 76 SER HB3 1 115 LEU MD2 . . 4.030 4.109 4.075 4.184 0.154 11 0 "[ . 1 . 2]" 1
1145 1 76 SER HB3 1 115 LEU MD1 . . 3.880 1.912 1.873 1.957 . 0 0 "[ . 1 . 2]" 1
1146 1 76 SER HB3 1 90 GLY HA3 . . 5.500 5.605 5.492 5.725 0.225 16 0 "[ . 1 . 2]" 1
1147 1 50 THR HA 1 121 HIS HA . . 4.120 2.678 1.840 2.930 . 0 0 "[ . 1 . 2]" 1
1148 1 51 THR MG 1 120 LEU MD1 . . 3.520 2.635 2.406 2.827 . 0 0 "[ . 1 . 2]" 1
1149 1 51 THR HA 1 51 THR MG . . 3.550 2.449 2.398 2.492 . 0 0 "[ . 1 . 2]" 1
1150 1 130 GLU HA 1 133 ASP HA . . 5.240 5.288 5.153 5.402 0.162 14 0 "[ . 1 . 2]" 1
1151 1 66 LEU MD2 1 108 SER HA . . 3.910 3.205 2.183 3.576 . 0 0 "[ . 1 . 2]" 1
1152 1 66 LEU HB3 1 66 LEU MD2 . . 3.440 2.238 2.070 3.079 . 0 0 "[ . 1 . 2]" 1
1153 1 66 LEU MD2 1 108 SER HB3 . . 3.940 3.111 2.077 4.023 0.083 13 0 "[ . 1 . 2]" 1
1154 1 79 ILE MD 1 150 PHE HB2 . . 4.670 4.465 4.194 4.705 0.035 10 0 "[ . 1 . 2]" 1
1155 1 79 ILE MD 1 150 PHE QD . . 4.090 2.919 2.546 3.348 . 0 0 "[ . 1 . 2]" 1
1156 1 79 ILE MD 1 150 PHE HB3 . . 4.580 3.996 3.734 4.149 . 0 0 "[ . 1 . 2]" 1
1157 1 77 ILE MG 1 79 ILE MD . . 3.790 3.595 3.494 3.665 . 0 0 "[ . 1 . 2]" 1
1158 1 55 PRO HA 1 55 PRO QD . . 4.100 3.381 3.381 3.382 . 0 0 "[ . 1 . 2]" 1
1159 1 65 LEU HG 1 67 THR MG . . 3.840 2.114 1.968 2.386 . 0 0 "[ . 1 . 2]" 1
1160 1 67 THR HA 1 67 THR MG . . 3.500 2.219 2.121 2.341 . 0 0 "[ . 1 . 2]" 1
1161 1 65 LEU HB2 1 67 THR MG . . 4.390 4.467 4.411 4.537 0.147 6 0 "[ . 1 . 2]" 1
1162 1 77 ILE HA 1 114 ALA HA . . 4.750 2.407 2.317 2.464 . 0 0 "[ . 1 . 2]" 1
1163 1 77 ILE HA 1 77 ILE MD . . 4.450 3.395 3.366 3.429 . 0 0 "[ . 1 . 2]" 1
1164 1 132 LEU HA 1 132 LEU HG . . 3.980 2.959 2.307 3.621 . 0 0 "[ . 1 . 2]" 1
1165 1 43 ALA HA 1 46 MET HG2 . . 4.420 4.107 1.987 4.541 0.121 11 0 "[ . 1 . 2]" 1
1166 1 130 GLU HA 1 133 ASP HB3 . . 4.090 2.809 2.604 3.125 . 0 0 "[ . 1 . 2]" 1
1167 1 97 GLU HA 1 98 PRO HD3 . . 4.570 2.712 2.373 2.817 . 0 0 "[ . 1 . 2]" 1
1168 1 91 LYS HB3 1 91 LYS QD . . 2.400 2.388 2.222 2.422 0.022 16 0 "[ . 1 . 2]" 1
1169 1 62 ALA HA 1 108 SER HA . . 4.730 4.757 4.733 4.781 0.051 20 0 "[ . 1 . 2]" 1
1170 1 66 LEU MD1 1 108 SER HA . . 4.130 2.318 1.866 3.564 . 0 0 "[ . 1 . 2]" 1
1171 1 108 SER HA 1 152 LEU MD2 . . 4.560 3.962 3.301 4.554 . 0 0 "[ . 1 . 2]" 1
1172 1 78 GLU HA 1 88 ILE HA . . 5.500 5.462 5.399 5.555 0.055 12 0 "[ . 1 . 2]" 1
1173 1 78 GLU HA 1 115 LEU MD2 . . 4.630 4.378 4.085 4.583 . 0 0 "[ . 1 . 2]" 1
1174 1 78 GLU HA 1 115 LEU MD1 . . 4.630 3.165 2.927 3.443 . 0 0 "[ . 1 . 2]" 1
1175 1 34 ARG HB3 1 34 ARG HD3 . . 3.720 2.969 2.046 3.721 0.001 15 0 "[ . 1 . 2]" 1
1176 1 91 LYS HB2 1 91 LYS QD . . 3.000 3.035 2.999 3.076 0.076 20 0 "[ . 1 . 2]" 1
1177 1 123 ILE MG 1 128 LEU QB . . 4.910 4.170 2.670 4.621 . 0 0 "[ . 1 . 2]" 1
1178 1 69 LEU MD1 1 123 ILE MG . . 3.590 1.914 1.851 2.025 . 0 0 "[ . 1 . 2]" 1
1179 1 41 LEU HA 1 44 LEU QB . . 5.010 2.200 2.127 2.284 . 0 0 "[ . 1 . 2]" 1
1180 1 41 LEU HA 1 44 LEU HA . . 5.000 5.091 5.021 5.152 0.152 14 0 "[ . 1 . 2]" 1
1181 1 41 LEU HA 1 41 LEU MD1 . . 3.950 2.739 2.212 3.607 . 0 0 "[ . 1 . 2]" 1
1182 1 75 GLY HA2 1 118 CYS HA . . 4.760 4.755 4.494 4.844 0.084 7 0 "[ . 1 . 2]" 1
1183 1 43 ALA HA 1 134 MET ME . . 4.270 4.149 3.564 4.301 0.031 6 0 "[ . 1 . 2]" 1
1184 1 93 ASP QB 1 149 THR MG . . 4.220 3.116 2.907 3.302 . 0 0 "[ . 1 . 2]" 1
1185 1 89 LEU HA 1 149 THR MG . . 5.500 5.629 5.554 5.659 0.159 1 0 "[ . 1 . 2]" 1
1186 1 89 LEU MD2 1 149 THR MG . . 2.980 1.961 1.909 2.004 . 0 0 "[ . 1 . 2]" 1
1187 1 89 LEU MD1 1 149 THR MG . . 4.050 4.131 4.077 4.239 0.189 16 0 "[ . 1 . 2]" 1
1188 1 93 ASP HA 1 149 THR MG . . 4.390 2.558 2.501 2.632 . 0 0 "[ . 1 . 2]" 1
1189 1 131 VAL HA 1 134 MET HB2 . . 4.910 4.075 2.704 4.948 0.038 5 0 "[ . 1 . 2]" 1
1190 1 131 VAL HA 1 134 MET ME . . 3.750 2.114 1.974 2.210 . 0 0 "[ . 1 . 2]" 1
1191 1 131 VAL HA 1 134 MET HG2 . . 4.850 3.199 1.991 4.945 0.095 9 0 "[ . 1 . 2]" 1
1192 1 43 ALA MB 1 131 VAL HA . . 4.310 3.046 2.537 3.333 . 0 0 "[ . 1 . 2]" 1
1193 1 131 VAL HA 1 131 VAL MG2 . . 3.630 2.351 2.269 2.439 . 0 0 "[ . 1 . 2]" 1
1194 1 88 ILE HA 1 88 ILE HG12 . . 4.390 3.520 3.474 3.551 . 0 0 "[ . 1 . 2]" 1
1195 1 86 VAL MG2 1 88 ILE HG12 . . 3.680 3.743 3.568 3.842 0.162 12 0 "[ . 1 . 2]" 1
1196 1 88 ILE HG12 1 88 ILE MG . . 3.310 3.183 3.170 3.197 . 0 0 "[ . 1 . 2]" 1
1197 1 65 LEU HA 1 65 LEU HG . . 3.900 3.226 2.897 3.472 . 0 0 "[ . 1 . 2]" 1
1198 1 65 LEU HB2 1 65 LEU HG . . 3.000 3.008 2.967 3.016 0.016 13 0 "[ . 1 . 2]" 1
1199 1 96 GLY HA3 1 152 LEU MD2 . . 4.780 4.809 4.787 4.857 0.077 6 0 "[ . 1 . 2]" 1
1200 1 107 LYS HB3 1 107 LYS QE . . 4.750 3.485 3.401 3.918 . 0 0 "[ . 1 . 2]" 1
1201 1 107 LYS HA 1 107 LYS QE . . 4.850 4.753 4.649 5.217 0.367 9 0 "[ . 1 . 2]" 1
1202 1 107 LYS HB2 1 107 LYS QE . . 3.500 3.447 3.389 3.458 . 0 0 "[ . 1 . 2]" 1
1203 1 107 LYS QE 1 107 LYS HG3 . . 3.590 3.077 2.907 3.288 . 0 0 "[ . 1 . 2]" 1
1204 1 134 MET ME 1 134 MET HG2 . . 3.960 2.510 2.393 3.381 . 0 0 "[ . 1 . 2]" 1
1205 1 134 MET HA 1 134 MET ME . . 4.250 4.279 4.243 4.310 0.060 20 0 "[ . 1 . 2]" 1
1206 1 43 ALA MB 1 134 MET ME . . 3.570 2.281 1.772 2.476 . 0 0 "[ . 1 . 2]" 1
1207 1 131 VAL MG2 1 134 MET ME . . 3.580 2.743 2.507 3.360 . 0 0 "[ . 1 . 2]" 1
1208 1 132 LEU HA 1 132 LEU MD1 . . 4.680 3.356 2.131 3.893 . 0 0 "[ . 1 . 2]" 1
1209 1 42 ARG HA 1 42 ARG HG3 . . 3.940 3.265 2.604 3.703 . 0 0 "[ . 1 . 2]" 1
1210 1 42 ARG HA 1 42 ARG HG2 . . 3.950 3.049 2.480 3.615 . 0 0 "[ . 1 . 2]" 1
1211 1 147 GLU HA 1 147 GLU HG3 . . 3.970 3.489 2.460 3.946 . 0 0 "[ . 1 . 2]" 1
1212 1 130 GLU HA 1 130 GLU HG3 . . 4.220 3.622 3.152 3.698 . 0 0 "[ . 1 . 2]" 1
1213 1 130 GLU HA 1 133 ASP HB2 . . 4.390 3.128 2.828 3.336 . 0 0 "[ . 1 . 2]" 1
1214 1 130 GLU HA 1 130 GLU HG2 . . 4.000 2.857 2.051 2.960 . 0 0 "[ . 1 . 2]" 1
1215 1 76 SER HA 1 90 GLY HA2 . . 4.250 1.943 1.899 1.976 . 0 0 "[ . 1 . 2]" 1
1216 1 107 LYS HB2 1 107 LYS HD3 . . 2.470 1.957 1.944 2.088 . 0 0 "[ . 1 . 2]" 1
1217 1 107 LYS HB2 1 107 LYS HD2 . . 3.500 3.103 3.089 3.298 . 0 0 "[ . 1 . 2]" 1
1218 1 77 ILE HA 1 114 ALA MB . . 4.780 3.774 3.689 3.831 . 0 0 "[ . 1 . 2]" 1
1219 1 77 ILE MG 1 114 ALA MB . . 5.000 4.727 4.625 4.994 . 0 0 "[ . 1 . 2]" 1
1220 1 77 ILE MD 1 114 ALA MB . . 4.040 2.478 2.332 2.821 . 0 0 "[ . 1 . 2]" 1
1221 1 59 LEU MD1 1 114 ALA MB . . 3.620 3.338 3.230 3.461 . 0 0 "[ . 1 . 2]" 1
1222 1 94 ILE MD 1 147 GLU HA . . 4.360 4.076 3.658 4.437 0.077 9 0 "[ . 1 . 2]" 1
1223 1 94 ILE MG 1 147 GLU HA . . 3.910 3.940 3.714 4.213 0.303 9 0 "[ . 1 . 2]" 1
1224 1 147 GLU HA 1 147 GLU HG2 . . 3.790 3.017 2.090 3.781 . 0 0 "[ . 1 . 2]" 1
1225 1 135 TYR HA 1 136 PRO HD2 . . 3.990 2.037 1.988 2.076 . 0 0 "[ . 1 . 2]" 1
1226 1 135 TYR HA 1 136 PRO HD3 . . 4.490 2.852 2.766 2.912 . 0 0 "[ . 1 . 2]" 1
1227 1 135 TYR HA 1 135 TYR QD . . 4.490 2.710 2.148 3.012 . 0 0 "[ . 1 . 2]" 1
1228 1 126 ASP HA 1 129 LEU QB . . 4.290 2.930 2.600 3.167 . 0 0 "[ . 1 . 2]" 1
1229 1 70 TYR QD 1 120 LEU MD1 . . 4.080 3.622 3.383 4.087 0.007 17 0 "[ . 1 . 2]" 1
1230 1 120 LEU HA 1 120 LEU MD1 . . 4.280 3.557 3.525 3.616 . 0 0 "[ . 1 . 2]" 1
1231 1 77 ILE MD 1 120 LEU MD1 . . 3.520 2.994 2.761 3.256 . 0 0 "[ . 1 . 2]" 1
1232 1 59 LEU MD2 1 120 LEU MD1 . . 3.060 2.709 2.435 2.942 . 0 0 "[ . 1 . 2]" 1
1233 1 59 LEU MD1 1 120 LEU MD1 . . 2.890 2.296 2.051 2.508 . 0 0 "[ . 1 . 2]" 1
1234 1 88 ILE HA 1 88 ILE MG . . 3.540 2.039 1.914 2.142 . 0 0 "[ . 1 . 2]" 1
1235 1 65 LEU HA 1 65 LEU MD2 . . 4.420 3.915 3.841 3.958 . 0 0 "[ . 1 . 2]" 1
1236 1 86 VAL HA 1 86 VAL MG2 . . 3.320 3.117 3.109 3.120 . 0 0 "[ . 1 . 2]" 1
1237 1 81 ARG QD 1 86 VAL MG2 . . 3.910 4.018 4.001 4.028 0.118 5 0 "[ . 1 . 2]" 1
1238 1 81 ARG HB3 1 86 VAL MG2 . . 3.390 3.119 2.996 3.146 . 0 0 "[ . 1 . 2]" 1
1239 1 136 PRO HB3 1 136 PRO HD3 . . 4.340 2.979 2.978 2.980 . 0 0 "[ . 1 . 2]" 1
1240 1 76 SER HB2 1 115 LEU MD2 . . 5.230 5.200 5.105 5.251 0.021 12 0 "[ . 1 . 2]" 1
1241 1 115 LEU MD1 1 115 LEU MD2 . . 2.400 2.044 1.958 2.088 . 0 0 "[ . 1 . 2]" 1
1242 1 78 GLU HB3 1 115 LEU MD2 . . 3.910 2.878 2.105 3.617 . 0 0 "[ . 1 . 2]" 1
1243 1 78 GLU QG 1 115 LEU MD2 . . 3.840 2.546 2.138 2.860 . 0 0 "[ . 1 . 2]" 1
1244 1 77 ILE MG 1 114 ALA HA . . 4.490 4.192 4.134 4.360 . 0 0 "[ . 1 . 2]" 1
1245 1 77 ILE MD 1 77 ILE MG . . 2.580 2.585 2.528 2.613 0.033 10 0 "[ . 1 . 2]" 1
1246 1 77 ILE MG 1 88 ILE MG . . 3.840 2.277 2.012 2.489 . 0 0 "[ . 1 . 2]" 1
1247 1 32 PRO HA 1 32 PRO HD3 . . 4.690 3.601 3.601 3.602 . 0 0 "[ . 1 . 2]" 1
1248 1 47 LYS HB2 1 47 LYS QE . . 3.720 3.094 2.193 3.780 0.060 1 0 "[ . 1 . 2]" 1
1249 1 47 LYS HB3 1 47 LYS QE . . 4.890 2.617 1.949 3.897 . 0 0 "[ . 1 . 2]" 1
1250 1 80 LEU QB 1 113 ARG HB2 . . 4.000 3.925 3.827 4.035 0.035 4 0 "[ . 1 . 2]" 1
1251 1 128 LEU HA 1 128 LEU MD2 . . 3.850 2.049 1.913 3.369 . 0 0 "[ . 1 . 2]" 1
1252 1 69 LEU MD1 1 128 LEU MD2 . . 3.740 3.076 2.962 3.252 . 0 0 "[ . 1 . 2]" 1
1253 1 123 ILE HG13 1 128 LEU HA . . 4.410 4.054 3.840 4.320 . 0 0 "[ . 1 . 2]" 1
1254 1 55 PRO HB3 1 55 PRO QD . . 3.700 2.887 2.886 2.887 . 0 0 "[ . 1 . 2]" 1
1255 1 55 PRO HB3 1 116 THR HA . . 4.630 1.971 1.957 2.002 . 0 0 "[ . 1 . 2]" 1
1256 1 34 ARG HA 1 34 ARG HD3 . . 4.250 3.449 1.982 4.254 0.004 17 0 "[ . 1 . 2]" 1
1257 1 53 ALA HA 1 57 ASP HB3 . . 4.550 3.419 3.364 3.489 . 0 0 "[ . 1 . 2]" 1
1258 1 53 ALA HA 1 59 LEU MD2 . . 4.350 3.768 3.727 3.801 . 0 0 "[ . 1 . 2]" 1
1259 1 53 ALA HA 1 59 LEU MD1 . . 4.010 3.014 2.937 3.125 . 0 0 "[ . 1 . 2]" 1
1260 1 62 ALA HA 1 108 SER HB3 . . 3.990 3.259 2.359 4.137 0.147 7 0 "[ . 1 . 2]" 1
1261 1 94 ILE MG 1 148 ILE HA . . 3.940 1.885 1.858 1.927 . 0 0 "[ . 1 . 2]" 1
1262 1 137 GLU HA 1 140 ASP HB2 . . 4.530 3.131 2.866 3.395 . 0 0 "[ . 1 . 2]" 1
1263 1 95 PHE HA 1 148 ILE MG . . 4.050 2.267 2.170 2.427 . 0 0 "[ . 1 . 2]" 1
1264 1 78 GLU HB3 1 115 LEU MD1 . . 4.150 3.149 1.974 4.176 0.026 12 0 "[ . 1 . 2]" 1
1265 1 78 GLU QG 1 115 LEU MD1 . . 4.020 2.593 1.943 3.424 . 0 0 "[ . 1 . 2]" 1
1266 1 55 PRO QD 1 116 THR HA . . 4.360 3.277 3.045 3.546 . 0 0 "[ . 1 . 2]" 1
1267 1 80 LEU MD2 1 113 ARG HB2 . . 4.500 4.250 4.147 4.321 . 0 0 "[ . 1 . 2]" 1
1268 1 78 GLU QG 1 80 LEU MD2 . . 5.500 5.192 4.626 5.670 0.170 12 0 "[ . 1 . 2]" 1
1269 1 84 VAL HA 1 84 VAL MG1 . . 3.280 3.127 2.862 3.142 . 0 0 "[ . 1 . 2]" 1
1270 1 32 PRO HA 1 32 PRO HD2 . . 4.920 4.099 4.098 4.099 . 0 0 "[ . 1 . 2]" 1
1271 1 81 ARG HB3 1 81 ARG HG2 . . 2.760 2.477 2.457 2.640 . 0 0 "[ . 1 . 2]" 1
1272 1 44 LEU HA 1 47 LYS HB3 . . 4.890 4.784 3.425 5.023 0.133 14 0 "[ . 1 . 2]" 1
1273 1 142 PHE HA 1 142 PHE QE . . 5.180 4.719 4.594 4.825 . 0 0 "[ . 1 . 2]" 1
1274 1 139 SER HA 1 142 PHE HB3 . . 4.950 1.952 1.907 2.038 . 0 0 "[ . 1 . 2]" 1
1275 1 132 LEU MD1 1 139 SER HA . . 4.930 4.224 3.111 4.918 . 0 0 "[ . 1 . 2]" 1
1276 1 89 LEU MD1 1 89 LEU MD2 . . 2.980 1.956 1.937 1.979 . 0 0 "[ . 1 . 2]" 1
1277 1 89 LEU MD2 1 149 THR HB . . 3.650 3.674 3.615 3.799 0.149 16 0 "[ . 1 . 2]" 1
1278 1 77 ILE HB 1 114 ALA HA . . 4.340 3.019 2.905 3.325 . 0 0 "[ . 1 . 2]" 1
1279 1 77 ILE MD 1 114 ALA HA . . 4.410 2.322 2.213 2.543 . 0 0 "[ . 1 . 2]" 1
1280 1 59 LEU MD2 1 114 ALA HA . . 4.600 2.944 2.779 3.080 . 0 0 "[ . 1 . 2]" 1
1281 1 69 LEU MD1 1 128 LEU QB . . 3.610 3.569 2.281 3.751 0.141 6 0 "[ . 1 . 2]" 1
1282 1 69 LEU HA 1 69 LEU MD1 . . 4.180 4.089 3.474 4.140 . 0 0 "[ . 1 . 2]" 1
1283 1 129 LEU HA 1 129 LEU MD1 . . 3.340 2.696 2.003 3.367 0.027 10 0 "[ . 1 . 2]" 1
1284 1 57 ASP HB3 1 114 ALA MB . . 4.050 3.491 3.378 3.618 . 0 0 "[ . 1 . 2]" 1
1285 1 57 ASP HB3 1 59 LEU MD2 . . 3.860 3.189 2.976 3.309 . 0 0 "[ . 1 . 2]" 1
1286 1 57 ASP HB3 1 59 LEU MD1 . . 3.860 3.280 3.126 3.382 . 0 0 "[ . 1 . 2]" 1
1287 1 137 GLU HA 1 137 GLU HG3 . . 4.120 3.020 2.407 3.841 . 0 0 "[ . 1 . 2]" 1
1288 1 36 ALA HA 1 41 LEU MD1 . . 4.500 4.314 4.220 4.518 0.018 17 0 "[ . 1 . 2]" 1
1289 1 113 ARG HA 1 113 ARG HG2 . . 4.450 3.660 3.632 3.696 . 0 0 "[ . 1 . 2]" 1
1290 1 113 ARG HA 1 113 ARG HG3 . . 4.260 2.448 2.404 2.493 . 0 0 "[ . 1 . 2]" 1
1291 1 58 THR HA 1 113 ARG HA . . 4.120 2.030 1.984 2.157 . 0 0 "[ . 1 . 2]" 1
1292 1 33 PHE QD 1 44 LEU MD1 . . 4.170 4.207 3.943 4.261 0.091 17 0 "[ . 1 . 2]" 1
1293 1 44 LEU HA 1 44 LEU MD1 . . 3.920 3.782 3.719 3.869 . 0 0 "[ . 1 . 2]" 1
1294 1 44 LEU MD1 1 131 VAL MG2 . . 3.700 3.643 3.005 3.769 0.069 16 0 "[ . 1 . 2]" 1
1295 1 81 ARG HB3 1 81 ARG QD . . 3.030 2.266 2.059 2.324 . 0 0 "[ . 1 . 2]" 1
1296 1 134 MET HA 1 134 MET HG2 . . 4.210 3.593 2.694 3.805 . 0 0 "[ . 1 . 2]" 1
1297 1 43 ALA MB 1 134 MET HG2 . . 4.650 3.994 3.698 4.844 0.194 8 0 "[ . 1 . 2]" 1
1298 1 76 SER HA 1 115 LEU MD1 . . 5.440 3.678 3.584 3.838 . 0 0 "[ . 1 . 2]" 1
1299 1 76 SER HA 1 90 GLY HA3 . . 4.640 3.474 3.344 3.659 . 0 0 "[ . 1 . 2]" 1
1300 1 134 MET HA 1 134 MET HG3 . . 3.940 3.126 2.098 3.758 . 0 0 "[ . 1 . 2]" 1
1301 1 108 SER HB3 1 152 LEU MD2 . . 4.700 4.401 3.843 4.782 0.082 6 0 "[ . 1 . 2]" 1
1302 1 34 ARG HB2 1 34 ARG HD3 . . 3.610 2.942 2.269 3.724 0.114 7 0 "[ . 1 . 2]" 1
1303 1 48 PHE HA 1 48 PHE QD . . 4.450 2.391 2.093 3.649 . 0 0 "[ . 1 . 2]" 1
1304 1 65 LEU HG 1 67 THR HA . . 4.270 3.903 3.692 4.243 . 0 0 "[ . 1 . 2]" 1
1305 1 77 ILE MD 1 79 ILE MD . . 4.630 4.425 4.361 4.457 . 0 0 "[ . 1 . 2]" 1
1306 1 46 MET QB 1 46 MET ME . . 3.360 1.917 1.859 2.318 . 0 0 "[ . 1 . 2]" 1
1307 1 59 LEU MD1 1 59 LEU MD2 . . 2.400 1.913 1.909 1.919 . 0 0 "[ . 1 . 2]" 1
1308 1 107 LYS HB3 1 107 LYS HD3 . . 2.950 3.098 3.065 3.437 0.487 9 0 "[ . 1 . 2]" 1
1309 1 125 ARG HA 1 125 ARG QD . . 4.830 4.198 2.088 4.542 . 0 0 "[ . 1 . 2]" 1
1310 1 67 THR MG 1 125 ARG QD . . 4.700 4.202 1.939 4.750 0.050 20 0 "[ . 1 . 2]" 1
1311 1 95 PHE QD 1 152 LEU MD2 . . 4.140 2.594 1.941 2.983 . 0 0 "[ . 1 . 2]" 1
1312 1 44 LEU HA 1 44 LEU HG . . 4.130 2.507 2.425 2.672 . 0 0 "[ . 1 . 2]" 1
1313 1 44 LEU HA 1 131 VAL MG2 . . 3.630 2.742 2.395 3.095 . 0 0 "[ . 1 . 2]" 1
1314 1 43 ALA MB 1 46 MET ME . . 3.730 3.763 3.738 3.826 0.096 7 0 "[ . 1 . 2]" 1
1315 1 43 ALA MB 1 131 VAL MG2 . . 3.390 2.277 1.826 2.714 . 0 0 "[ . 1 . 2]" 1
1316 1 40 CYS HB3 1 43 ALA MB . . 3.910 3.951 3.914 4.003 0.093 7 0 "[ . 1 . 2]" 1
1317 1 43 ALA HA 1 46 MET ME . . 4.170 2.885 2.394 3.706 . 0 0 "[ . 1 . 2]" 1
1318 1 105 PRO QD 1 125 ARG HB3 . . 5.000 5.044 5.018 5.105 0.105 16 0 "[ . 1 . 2]" 1
1319 1 107 LYS HB3 1 107 LYS HD2 . . 4.140 4.003 3.996 4.049 . 0 0 "[ . 1 . 2]" 1
1320 1 134 MET ME 1 134 MET HG3 . . 3.960 3.347 2.676 3.390 . 0 0 "[ . 1 . 2]" 1
1321 1 24 ARG H 1 25 SER H . . 4.500 2.682 2.511 2.839 . 0 0 "[ . 1 . 2]" 1
1322 1 24 ARG H 1 24 ARG HG2 . . 4.310 3.629 1.970 4.290 . 0 0 "[ . 1 . 2]" 1
1323 1 24 ARG H 1 24 ARG HG3 . . 4.020 3.029 2.296 3.759 . 0 0 "[ . 1 . 2]" 1
1324 1 24 ARG H 1 24 ARG HB3 . . 3.960 3.379 2.516 3.596 . 0 0 "[ . 1 . 2]" 1
1325 1 24 ARG H 1 24 ARG HB2 . . 3.590 2.381 2.067 3.590 . 0 0 "[ . 1 . 2]" 1
1326 1 25 SER HA 1 27 LEU H . . 4.940 4.472 4.249 4.809 . 0 0 "[ . 1 . 2]" 1
1327 1 25 SER QB 1 26 LEU H . . 3.830 2.761 2.386 3.242 . 0 0 "[ . 1 . 2]" 1
1328 1 25 SER HA 1 26 LEU H . . 4.170 3.538 3.513 3.564 . 0 0 "[ . 1 . 2]" 1
1329 1 25 SER HA 1 29 HIS H . . 5.080 4.446 3.846 5.071 . 0 0 "[ . 1 . 2]" 1
1330 1 25 SER HA 1 28 GLN H . . 4.960 3.552 3.324 3.778 . 0 0 "[ . 1 . 2]" 1
1331 1 26 LEU HB3 1 27 LEU H . . 3.700 3.077 2.587 3.640 . 0 0 "[ . 1 . 2]" 1
1332 1 26 LEU H 1 27 LEU H . . 4.070 2.662 2.487 2.914 . 0 0 "[ . 1 . 2]" 1
1333 1 26 LEU HA 1 27 LEU H . . 4.550 3.533 3.514 3.568 . 0 0 "[ . 1 . 2]" 1
1334 1 26 LEU HB2 1 27 LEU H . . 3.920 3.014 2.369 3.755 . 0 0 "[ . 1 . 2]" 1
1335 1 26 LEU H 1 26 LEU HB3 . . 4.040 3.310 2.762 3.581 . 0 0 "[ . 1 . 2]" 1
1336 1 26 LEU H 1 26 LEU HB2 . . 3.600 2.180 2.045 2.472 . 0 0 "[ . 1 . 2]" 1
1337 1 27 LEU H 1 27 LEU MD1 . . 4.650 3.131 2.105 4.132 . 0 0 "[ . 1 . 2]" 1
1338 1 27 LEU H 1 29 HIS H . . 4.510 4.156 3.886 4.507 . 0 0 "[ . 1 . 2]" 1
1339 1 27 LEU H 1 27 LEU HG . . 5.500 3.666 2.195 4.574 . 0 0 "[ . 1 . 2]" 1
1340 1 27 LEU H 1 27 LEU MD2 . . 4.770 3.648 2.289 4.227 . 0 0 "[ . 1 . 2]" 1
1341 1 27 LEU H 1 28 GLN H . . 3.840 2.634 2.498 2.785 . 0 0 "[ . 1 . 2]" 1
1342 1 27 LEU HA 1 28 GLN H . . 4.610 3.521 3.510 3.558 . 0 0 "[ . 1 . 2]" 1
1343 1 28 GLN HA 1 30 CYS H . . 4.750 4.199 4.086 4.383 . 0 0 "[ . 1 . 2]" 1
1344 1 28 GLN HB2 1 29 HIS H . . 4.710 3.413 2.734 4.106 . 0 0 "[ . 1 . 2]" 1
1345 1 28 GLN HB3 1 29 HIS H . . 5.160 3.031 2.805 3.875 . 0 0 "[ . 1 . 2]" 1
1346 1 28 GLN H 1 29 HIS H . . 3.930 2.638 2.337 2.861 . 0 0 "[ . 1 . 2]" 1
1347 1 28 GLN H 1 28 GLN HB2 . . 3.740 2.384 2.062 3.567 . 0 0 "[ . 1 . 2]" 1
1348 1 28 GLN H 1 28 GLN HG3 . . 4.130 3.729 2.610 4.203 0.073 1 0 "[ . 1 . 2]" 1
1349 1 28 GLN H 1 28 GLN HB3 . . 3.800 3.014 2.284 3.548 . 0 0 "[ . 1 . 2]" 1
1350 1 28 GLN H 1 28 GLN QG . . 4.090 3.424 2.438 3.893 . 0 0 "[ . 1 . 2]" 1
1351 1 29 HIS HB2 1 30 CYS H . . 4.970 3.562 3.031 4.165 . 0 0 "[ . 1 . 2]" 1
1352 1 29 HIS H 1 30 CYS H . . 3.900 2.372 2.268 2.430 . 0 0 "[ . 1 . 2]" 1
1353 1 29 HIS HA 1 30 CYS H . . 4.280 3.453 3.452 3.454 . 0 0 "[ . 1 . 2]" 1
1354 1 29 HIS HB3 1 30 CYS H . . 4.300 3.334 3.011 3.921 . 0 0 "[ . 1 . 2]" 1
1355 1 29 HIS H 1 29 HIS HB3 . . 4.170 3.087 2.390 3.617 . 0 0 "[ . 1 . 2]" 1
1356 1 30 CYS H 1 30 CYS HB3 . . 3.940 3.214 2.521 3.849 . 0 0 "[ . 1 . 2]" 1
1357 1 24 ARG HA 1 24 ARG HG2 . . 3.900 2.584 2.043 3.677 . 0 0 "[ . 1 . 2]" 1
1358 1 24 ARG HA 1 24 ARG HG3 . . 3.920 2.980 2.291 3.842 . 0 0 "[ . 1 . 2]" 1
1359 1 24 ARG HB2 1 24 ARG QD . . 3.050 2.509 1.971 3.047 . 0 0 "[ . 1 . 2]" 1
1360 1 24 ARG HA 1 24 ARG QD . . 4.300 3.867 2.962 4.242 . 0 0 "[ . 1 . 2]" 1
1361 1 25 SER HA 1 28 GLN HB2 . . 4.530 3.208 2.400 4.562 0.032 15 0 "[ . 1 . 2]" 1
1362 1 25 SER HA 1 28 GLN HB3 . . 4.360 3.686 2.908 4.333 . 0 0 "[ . 1 . 2]" 1
1363 1 27 LEU HA 1 27 LEU MD1 . . 3.880 2.760 1.983 3.882 0.002 2 0 "[ . 1 . 2]" 1
1364 1 27 LEU HA 1 27 LEU HG . . 3.900 2.827 2.395 3.700 . 0 0 "[ . 1 . 2]" 1
1365 1 27 LEU HA 1 27 LEU MD2 . . 4.470 3.098 1.968 3.819 . 0 0 "[ . 1 . 2]" 1
1366 1 27 LEU QB 1 27 LEU HG . . 2.400 2.335 2.166 2.399 . 0 0 "[ . 1 . 2]" 1
1367 1 28 GLN HA 1 28 GLN HG3 . . 3.970 2.864 2.017 3.686 . 0 0 "[ . 1 . 2]" 1
1368 1 28 GLN HA 1 28 GLN QG . . 3.810 2.454 1.998 3.327 . 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 632
_Distance_constraint_stats_list.Viol_total 1415.329
_Distance_constraint_stats_list.Viol_max 0.440
_Distance_constraint_stats_list.Viol_rms 0.0907
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0520
_Distance_constraint_stats_list.Viol_average_violations_only 0.1120
_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 40 CYS 0.094 0.046 6 0 "[ . 1 . 2]"
1 41 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 LEU 2.012 0.169 7 0 "[ . 1 . 2]"
1 45 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 PHE 1.918 0.169 7 0 "[ . 1 . 2]"
1 49 LYS 2.617 0.396 17 0 "[ . 1 . 2]"
1 51 THR 2.088 0.117 2 0 "[ . 1 . 2]"
1 53 ALA 3.063 0.194 6 0 "[ . 1 . 2]"
1 57 ASP 0.035 0.014 16 0 "[ . 1 . 2]"
1 59 LEU 0.489 0.065 12 0 "[ . 1 . 2]"
1 60 VAL 6.949 0.180 8 0 "[ . 1 . 2]"
1 69 LEU 3.608 0.341 17 0 "[ . 1 . 2]"
1 70 TYR 5.565 0.303 16 0 "[ . 1 . 2]"
1 71 PHE 0.688 0.094 20 0 "[ . 1 . 2]"
1 76 SER 6.072 0.242 16 0 "[ . 1 . 2]"
1 77 ILE 14.492 0.440 17 0 "[ . 1 . 2]"
1 78 GLU 0.006 0.006 8 0 "[ . 1 . 2]"
1 79 ILE 1.889 0.148 12 0 "[ . 1 . 2]"
1 80 LEU 0.160 0.080 16 0 "[ . 1 . 2]"
1 81 ARG 10.310 0.406 12 0 "[ . 1 . 2]"
1 84 VAL 10.310 0.406 12 0 "[ . 1 . 2]"
1 86 VAL 1.889 0.148 12 0 "[ . 1 . 2]"
1 88 ILE 14.492 0.440 17 0 "[ . 1 . 2]"
1 94 ILE 4.704 0.187 18 0 "[ . 1 . 2]"
1 95 PHE 5.565 0.303 16 0 "[ . 1 . 2]"
1 111 ASP 0.160 0.080 16 0 "[ . 1 . 2]"
1 112 VAL 7.437 0.180 8 0 "[ . 1 . 2]"
1 113 ARG 0.006 0.006 8 0 "[ . 1 . 2]"
1 114 ALA 0.035 0.014 16 0 "[ . 1 . 2]"
1 115 LEU 6.072 0.242 16 0 "[ . 1 . 2]"
1 118 CYS 3.063 0.194 6 0 "[ . 1 . 2]"
1 120 LEU 2.088 0.117 2 0 "[ . 1 . 2]"
1 121 HIS 0.688 0.094 20 0 "[ . 1 . 2]"
1 122 LYS 2.617 0.396 17 0 "[ . 1 . 2]"
1 123 ILE 3.608 0.341 17 0 "[ . 1 . 2]"
1 124 HIS 2.362 0.154 5 0 "[ . 1 . 2]"
1 125 ARG 0.120 0.071 18 0 "[ . 1 . 2]"
1 126 ASP 0.983 0.074 14 0 "[ . 1 . 2]"
1 127 ASP 0.400 0.060 10 0 "[ . 1 . 2]"
1 128 LEU 3.733 0.154 5 0 "[ . 1 . 2]"
1 129 LEU 0.120 0.071 18 0 "[ . 1 . 2]"
1 130 GLU 1.062 0.079 8 0 "[ . 1 . 2]"
1 131 VAL 1.107 0.121 8 0 "[ . 1 . 2]"
1 132 LEU 1.371 0.100 15 0 "[ . 1 . 2]"
1 133 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 134 MET 0.079 0.079 8 0 "[ . 1 . 2]"
1 135 TYR 0.707 0.121 8 0 "[ . 1 . 2]"
1 150 PHE 4.704 0.187 18 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 40 CYS O 1 44 LEU H . . 2.000 1.882 1.740 2.046 0.046 6 0 "[ . 1 . 2]" 2
2 1 40 CYS O 1 44 LEU N . . 3.000 2.853 2.719 3.007 0.007 6 0 "[ . 1 . 2]" 2
3 1 41 LEU O 1 45 ALA H . . 2.000 1.775 1.755 1.802 . 0 0 "[ . 1 . 2]" 2
4 1 41 LEU O 1 45 ALA N . . 3.000 2.659 2.557 2.685 . 0 0 "[ . 1 . 2]" 2
5 1 44 LEU O 1 48 PHE H . . 2.000 2.079 1.847 2.169 0.169 7 0 "[ . 1 . 2]" 2
6 1 44 LEU O 1 48 PHE N . . 3.000 2.594 2.491 2.886 . 0 0 "[ . 1 . 2]" 2
7 1 51 THR H 1 120 LEU O . . 2.000 2.057 1.906 2.117 0.117 2 0 "[ . 1 . 2]" 2
8 1 51 THR N 1 120 LEU O . . 3.000 2.715 2.678 2.756 . 0 0 "[ . 1 . 2]" 2
9 1 59 LEU H 1 112 VAL O . . 2.000 2.022 1.983 2.065 0.065 12 0 "[ . 1 . 2]" 2
10 1 59 LEU N 1 112 VAL O . . 3.000 2.710 2.686 2.732 . 0 0 "[ . 1 . 2]" 2
11 1 60 VAL H 1 112 VAL O . . 2.000 2.158 2.124 2.180 0.180 8 0 "[ . 1 . 2]" 2
12 1 60 VAL N 1 112 VAL O . . 3.000 3.129 3.095 3.150 0.150 8 0 "[ . 1 . 2]" 2
13 1 69 LEU H 1 123 ILE O . . 2.000 1.966 1.773 2.074 0.074 16 0 "[ . 1 . 2]" 2
14 1 69 LEU N 1 123 ILE O . . 3.000 2.783 2.671 2.882 . 0 0 "[ . 1 . 2]" 2
15 1 70 TYR H 1 95 PHE O . . 2.000 2.242 2.149 2.303 0.303 16 0 "[ . 1 . 2]" 2
16 1 70 TYR N 1 95 PHE O . . 3.000 3.035 2.978 3.097 0.097 20 0 "[ . 1 . 2]" 2
17 1 71 PHE H 1 121 HIS O . . 2.000 2.025 1.950 2.094 0.094 20 0 "[ . 1 . 2]" 2
18 1 71 PHE N 1 121 HIS O . . 3.000 2.980 2.908 3.049 0.049 20 0 "[ . 1 . 2]" 2
19 1 77 ILE H 1 88 ILE O . . 2.000 2.413 2.384 2.440 0.440 17 0 "[ . 1 . 2]" 2
20 1 77 ILE N 1 88 ILE O . . 3.000 3.311 3.271 3.360 0.360 2 0 "[ . 1 . 2]" 2
21 1 78 GLU H 1 113 ARG O . . 2.000 1.828 1.787 1.882 . 0 0 "[ . 1 . 2]" 2
22 1 78 GLU N 1 113 ARG O . . 3.000 2.740 2.697 2.800 . 0 0 "[ . 1 . 2]" 2
23 1 80 LEU H 1 111 ASP O . . 2.000 1.991 1.929 2.080 0.080 16 0 "[ . 1 . 2]" 2
24 1 80 LEU N 1 111 ASP O . . 3.000 2.715 2.624 2.740 . 0 0 "[ . 1 . 2]" 2
25 1 81 ARG H 1 84 VAL O . . 2.000 2.120 1.853 2.147 0.147 15 0 "[ . 1 . 2]" 2
26 1 81 ARG N 1 84 VAL O . . 3.000 2.933 2.562 2.972 . 0 0 "[ . 1 . 2]" 2
27 1 81 ARG O 1 84 VAL H . . 2.000 2.377 2.275 2.406 0.406 12 0 "[ . 1 . 2]" 2
28 1 81 ARG O 1 84 VAL N . . 3.000 2.642 2.602 3.229 0.229 19 0 "[ . 1 . 2]" 2
29 1 79 ILE O 1 86 VAL H . . 2.000 2.094 2.017 2.148 0.148 12 0 "[ . 1 . 2]" 2
30 1 79 ILE O 1 86 VAL N . . 3.000 2.948 2.905 2.991 . 0 0 "[ . 1 . 2]" 2
31 1 80 LEU O 1 111 ASP H . . 2.000 1.902 1.793 2.015 0.015 20 0 "[ . 1 . 2]" 2
32 1 80 LEU O 1 111 ASP N . . 3.000 2.854 2.744 2.981 . 0 0 "[ . 1 . 2]" 2
33 1 60 VAL O 1 112 VAL H . . 2.000 2.054 1.874 2.089 0.089 2 0 "[ . 1 . 2]" 2
34 1 60 VAL O 1 112 VAL N . . 3.000 2.717 2.694 2.738 . 0 0 "[ . 1 . 2]" 2
35 1 78 GLU O 1 113 ARG H . . 2.000 1.907 1.848 2.006 0.006 8 0 "[ . 1 . 2]" 2
36 1 78 GLU O 1 113 ARG N . . 3.000 2.774 2.715 2.862 . 0 0 "[ . 1 . 2]" 2
37 1 57 ASP O 1 114 ALA H . . 2.000 1.948 1.830 2.014 0.014 16 0 "[ . 1 . 2]" 2
38 1 57 ASP O 1 114 ALA N . . 3.000 2.823 2.753 2.884 . 0 0 "[ . 1 . 2]" 2
39 1 76 SER O 1 115 LEU H . . 2.000 2.207 2.172 2.242 0.242 16 0 "[ . 1 . 2]" 2
40 1 76 SER O 1 115 LEU N . . 3.000 3.097 3.068 3.130 0.130 16 0 "[ . 1 . 2]" 2
41 1 53 ALA O 1 118 CYS H . . 2.000 2.138 2.074 2.194 0.194 6 0 "[ . 1 . 2]" 2
42 1 53 ALA O 1 118 CYS N . . 3.000 3.008 2.955 3.046 0.046 9 0 "[ . 1 . 2]" 2
43 1 51 THR O 1 120 LEU H . . 2.000 2.040 1.961 2.110 0.110 11 0 "[ . 1 . 2]" 2
44 1 51 THR O 1 120 LEU N . . 3.000 2.837 2.732 2.935 . 0 0 "[ . 1 . 2]" 2
45 1 71 PHE O 1 121 HIS H . . 2.000 1.887 1.834 1.970 . 0 0 "[ . 1 . 2]" 2
46 1 71 PHE O 1 121 HIS N . . 3.000 2.756 2.708 2.895 . 0 0 "[ . 1 . 2]" 2
47 1 49 LYS O 1 122 LYS H . . 2.000 2.088 2.047 2.396 0.396 17 0 "[ . 1 . 2]" 2
48 1 49 LYS O 1 122 LYS N . . 3.000 3.043 3.001 3.363 0.363 17 0 "[ . 1 . 2]" 2
49 1 69 LEU O 1 123 ILE H . . 2.000 2.145 2.090 2.341 0.341 17 0 "[ . 1 . 2]" 2
50 1 69 LEU O 1 123 ILE N . . 3.000 3.028 2.991 3.104 0.104 20 0 "[ . 1 . 2]" 2
51 1 124 HIS O 1 128 LEU H . . 2.000 2.080 2.010 2.154 0.154 5 0 "[ . 1 . 2]" 2
52 1 124 HIS O 1 128 LEU N . . 3.000 3.035 2.961 3.114 0.114 5 0 "[ . 1 . 2]" 2
53 1 125 ARG O 1 129 LEU H . . 2.000 1.875 1.780 2.071 0.071 18 0 "[ . 1 . 2]" 2
54 1 125 ARG O 1 129 LEU N . . 3.000 2.843 2.747 3.044 0.044 18 0 "[ . 1 . 2]" 2
55 1 126 ASP O 1 130 GLU H . . 2.000 2.038 1.904 2.074 0.074 14 0 "[ . 1 . 2]" 2
56 1 126 ASP O 1 130 GLU N . . 3.000 2.964 2.816 3.029 0.029 14 0 "[ . 1 . 2]" 2
57 1 127 ASP O 1 131 VAL H . . 2.000 1.981 1.807 2.060 0.060 10 0 "[ . 1 . 2]" 2
58 1 127 ASP O 1 131 VAL N . . 3.000 2.957 2.779 3.034 0.034 10 0 "[ . 1 . 2]" 2
59 1 128 LEU O 1 132 LEU H . . 2.000 2.055 1.967 2.100 0.100 15 0 "[ . 1 . 2]" 2
60 1 128 LEU O 1 132 LEU N . . 3.000 2.992 2.920 3.043 0.043 18 0 "[ . 1 . 2]" 2
61 1 129 LEU O 1 133 ASP H . . 2.000 1.929 1.893 1.962 . 0 0 "[ . 1 . 2]" 2
62 1 129 LEU O 1 133 ASP N . . 3.000 2.720 2.694 2.778 . 0 0 "[ . 1 . 2]" 2
63 1 130 GLU O 1 134 MET H . . 2.000 1.868 1.760 2.079 0.079 8 0 "[ . 1 . 2]" 2
64 1 130 GLU O 1 134 MET N . . 3.000 2.800 2.708 2.988 . 0 0 "[ . 1 . 2]" 2
65 1 131 VAL O 1 135 TYR H . . 2.000 2.026 1.940 2.121 0.121 8 0 "[ . 1 . 2]" 2
66 1 131 VAL O 1 135 TYR N . . 3.000 2.917 2.825 3.072 0.072 8 0 "[ . 1 . 2]" 2
67 1 94 ILE O 1 150 PHE H . . 2.000 2.144 2.109 2.187 0.187 18 0 "[ . 1 . 2]" 2
68 1 94 ILE O 1 150 PHE N . . 3.000 3.091 3.053 3.131 0.131 18 0 "[ . 1 . 2]" 2
stop_
save_
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