NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
646875 |
6qwr   |
34365 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6qwr
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 751
_Distance_constraint_stats_list.Viol_count 1406
_Distance_constraint_stats_list.Viol_total 1438.020
_Distance_constraint_stats_list.Viol_max 0.976
_Distance_constraint_stats_list.Viol_rms 0.0241
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0048
_Distance_constraint_stats_list.Viol_average_violations_only 0.0511
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 12 TYR 0.045 0.020 13 0 "[ . 1 . 2]"
1 13 ASN 0.340 0.152 13 0 "[ . 1 . 2]"
1 14 GLN 0.209 0.106 13 0 "[ . 1 . 2]"
1 15 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ASP 0.750 0.152 13 0 "[ . 1 . 2]"
1 17 TRP 0.354 0.087 17 0 "[ . 1 . 2]"
1 18 VAL 0.936 0.114 3 0 "[ . 1 . 2]"
1 19 ALA 0.943 0.139 11 0 "[ . 1 . 2]"
1 20 SER 0.298 0.080 18 0 "[ . 1 . 2]"
1 21 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ASN 0.226 0.065 3 0 "[ . 1 . 2]"
1 23 PHE 1.014 0.096 11 0 "[ . 1 . 2]"
1 24 SER 0.998 0.096 11 0 "[ . 1 . 2]"
1 25 LYS 0.002 0.001 4 0 "[ . 1 . 2]"
1 26 VAL 0.042 0.024 16 0 "[ . 1 . 2]"
1 27 TYR 0.513 0.066 9 0 "[ . 1 . 2]"
1 29 GLY 0.048 0.048 11 0 "[ . 1 . 2]"
1 30 GLU 0.048 0.048 11 0 "[ . 1 . 2]"
1 31 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LEU 0.338 0.067 14 0 "[ . 1 . 2]"
1 33 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ALA 0.006 0.006 20 0 "[ . 1 . 2]"
1 46 ASP 0.702 0.073 16 0 "[ . 1 . 2]"
1 47 VAL 0.881 0.100 16 0 "[ . 1 . 2]"
1 48 SER 0.117 0.049 14 0 "[ . 1 . 2]"
1 49 ILE 0.108 0.049 14 0 "[ . 1 . 2]"
1 54 THR 0.014 0.014 18 0 "[ . 1 . 2]"
1 56 THR 0.246 0.065 3 0 "[ . 1 . 2]"
1 57 PHE 0.041 0.021 14 0 "[ . 1 . 2]"
1 58 ASP 0.634 0.204 8 0 "[ . 1 . 2]"
1 59 ILE 1.346 0.133 4 0 "[ . 1 . 2]"
1 60 ALA 3.997 0.440 12 0 "[ . 1 . 2]"
1 61 TYR 1.963 0.272 7 0 "[ . 1 . 2]"
1 62 PHE 1.917 0.114 3 0 "[ . 1 . 2]"
1 63 VAL 0.027 0.024 6 0 "[ . 1 . 2]"
1 64 SER 1.249 0.120 13 0 "[ . 1 . 2]"
1 65 SER 0.694 0.095 17 0 "[ . 1 . 2]"
1 66 ASN 0.064 0.040 14 0 "[ . 1 . 2]"
1 67 ILE 2.325 0.120 13 0 "[ . 1 . 2]"
1 68 ALA 0.730 0.067 11 0 "[ . 1 . 2]"
1 69 VAL 5.351 0.272 7 0 "[ . 1 . 2]"
1 70 ASP 0.915 0.120 14 0 "[ . 1 . 2]"
1 71 PHE 2.775 0.406 11 0 "[ . 1 . 2]"
1 72 PHE 1.240 0.121 15 0 "[ . 1 . 2]"
1 73 VAL 0.125 0.104 3 0 "[ . 1 . 2]"
1 76 PRO 0.818 0.166 8 0 "[ . 1 . 2]"
1 78 ARG 0.293 0.086 10 0 "[ . 1 . 2]"
1 79 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LYS 0.266 0.078 6 0 "[ . 1 . 2]"
1 81 PHE 0.164 0.052 20 0 "[ . 1 . 2]"
1 82 GLN 2.583 0.976 15 3 "[ .* 1 - + 2]"
1 83 GLY 2.362 0.116 14 0 "[ . 1 . 2]"
1 84 GLU 0.884 0.076 19 0 "[ . 1 . 2]"
1 85 LYS 1.984 0.203 13 0 "[ . 1 . 2]"
1 86 SER 0.708 0.068 4 0 "[ . 1 . 2]"
1 87 ILE 1.494 0.101 16 0 "[ . 1 . 2]"
1 88 SER 1.872 0.501 13 1 "[ . 1 + . 2]"
1 89 SER 0.076 0.035 10 0 "[ . 1 . 2]"
1 90 LEU 0.019 0.019 20 0 "[ . 1 . 2]"
1 91 GLY 0.477 0.057 20 0 "[ . 1 . 2]"
1 92 ARG 2.160 0.976 15 2 "[ .- 1 + 2]"
1 93 VAL 1.892 0.187 8 0 "[ . 1 . 2]"
1 94 SER 1.810 0.125 10 0 "[ . 1 . 2]"
1 95 GLU 1.637 0.082 18 0 "[ . 1 . 2]"
1 96 VAL 2.114 0.463 15 0 "[ . 1 . 2]"
1 97 ASP 0.733 0.210 17 0 "[ . 1 . 2]"
1 98 TYR 0.818 0.166 8 0 "[ . 1 . 2]"
1 99 GLY 0.075 0.042 20 0 "[ . 1 . 2]"
1 100 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 ALA 0.502 0.201 12 0 "[ . 1 . 2]"
1 102 ILE 0.935 0.109 8 0 "[ . 1 . 2]"
1 103 LEU 1.977 0.791 11 1 "[ . 1+ . 2]"
1 104 SER 0.842 0.791 11 1 "[ . 1+ . 2]"
1 105 LEU 2.393 0.230 12 0 "[ . 1 . 2]"
1 106 GLN 0.015 0.009 5 0 "[ . 1 . 2]"
1 107 TYR 0.432 0.072 14 0 "[ . 1 . 2]"
1 108 HIS 0.479 0.062 17 0 "[ . 1 . 2]"
1 117 PRO 0.671 0.124 7 0 "[ . 1 . 2]"
1 118 TYR 1.759 0.124 7 0 "[ . 1 . 2]"
1 119 VAL 0.238 0.062 17 0 "[ . 1 . 2]"
1 120 GLY 0.654 0.072 14 0 "[ . 1 . 2]"
1 121 VAL 0.613 0.227 19 0 "[ . 1 . 2]"
1 122 GLY 0.061 0.032 13 0 "[ . 1 . 2]"
1 123 VAL 1.357 0.131 20 0 "[ . 1 . 2]"
1 124 GLY 0.247 0.049 12 0 "[ . 1 . 2]"
1 125 ARG 0.759 0.201 12 0 "[ . 1 . 2]"
1 126 VAL 0.354 0.066 2 0 "[ . 1 . 2]"
1 127 LEU 0.075 0.042 20 0 "[ . 1 . 2]"
1 129 PHE 1.618 0.463 15 0 "[ . 1 . 2]"
1 130 ASP 0.821 0.294 14 0 "[ . 1 . 2]"
1 131 LYS 0.776 0.294 14 0 "[ . 1 . 2]"
1 132 THR 1.214 0.217 19 0 "[ . 1 . 2]"
1 133 ASP 0.486 0.125 10 0 "[ . 1 . 2]"
1 134 GLY 3.117 0.248 8 0 "[ . 1 . 2]"
1 135 ALA 2.016 0.187 8 0 "[ . 1 . 2]"
1 136 LEU 0.590 0.070 10 0 "[ . 1 . 2]"
1 137 SER 0.623 0.070 10 0 "[ . 1 . 2]"
1 138 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 139 PHE 2.366 0.248 8 0 "[ . 1 . 2]"
1 140 ASP 1.516 0.189 17 0 "[ . 1 . 2]"
1 141 ILE 2.060 0.211 12 0 "[ . 1 . 2]"
1 142 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 143 ASP 0.971 0.153 10 0 "[ . 1 . 2]"
1 144 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 145 TRP 0.170 0.041 5 0 "[ . 1 . 2]"
1 146 ALA 0.331 0.066 2 0 "[ . 1 . 2]"
1 147 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 148 ALA 0.987 0.179 4 0 "[ . 1 . 2]"
1 149 PHE 0.230 0.222 10 0 "[ . 1 . 2]"
1 150 GLN 1.136 0.227 19 0 "[ . 1 . 2]"
1 151 VAL 2.175 0.265 11 0 "[ . 1 . 2]"
1 152 GLY 1.346 0.101 9 0 "[ . 1 . 2]"
1 153 LEU 0.655 0.088 5 0 "[ . 1 . 2]"
1 154 ARG 4.839 0.174 18 0 "[ . 1 . 2]"
1 155 TYR 1.855 0.113 18 0 "[ . 1 . 2]"
1 156 ASP 0.064 0.024 20 0 "[ . 1 . 2]"
1 157 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 162 MET 0.024 0.024 20 0 "[ . 1 . 2]"
1 163 LEU 1.778 0.162 13 0 "[ . 1 . 2]"
1 164 ASN 3.421 0.440 12 0 "[ . 1 . 2]"
1 165 SER 0.548 0.055 13 0 "[ . 1 . 2]"
1 166 ASP 0.258 0.048 16 0 "[ . 1 . 2]"
1 167 VAL 2.674 0.265 11 0 "[ . 1 . 2]"
1 168 ARG 4.674 0.459 5 0 "[ . 1 . 2]"
1 169 TYR 2.130 0.459 5 0 "[ . 1 . 2]"
1 172 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 173 LYS 0.053 0.021 6 0 "[ . 1 . 2]"
1 174 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 175 ASP 1.068 0.153 10 0 "[ . 1 . 2]"
1 176 VAL 2.167 0.211 12 0 "[ . 1 . 2]"
1 177 THR 2.466 0.189 17 0 "[ . 1 . 2]"
1 178 GLY 0.770 0.096 10 0 "[ . 1 . 2]"
1 179 THR 1.927 0.196 16 0 "[ . 1 . 2]"
1 180 LEU 0.443 0.067 13 0 "[ . 1 . 2]"
1 181 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 182 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 183 VAL 0.252 0.115 16 0 "[ . 1 . 2]"
1 184 PRO 2.284 0.196 16 0 "[ . 1 . 2]"
1 185 VAL 1.170 0.146 20 0 "[ . 1 . 2]"
1 186 SER 0.893 0.081 3 0 "[ . 1 . 2]"
1 187 THR 0.255 0.148 4 0 "[ . 1 . 2]"
1 188 LYS 0.444 0.072 20 0 "[ . 1 . 2]"
1 189 ILE 0.398 0.063 9 0 "[ . 1 . 2]"
1 190 GLU 0.077 0.072 20 0 "[ . 1 . 2]"
1 191 VAL 0.024 0.021 6 0 "[ . 1 . 2]"
1 193 PRO 0.424 0.066 9 0 "[ . 1 . 2]"
1 194 PHE 0.000 0.000 7 0 "[ . 1 . 2]"
1 195 ILE 2.298 0.216 15 0 "[ . 1 . 2]"
1 196 LEU 0.020 0.020 10 0 "[ . 1 . 2]"
1 197 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 198 LEU 0.016 0.008 20 0 "[ . 1 . 2]"
1 199 GLY 0.169 0.037 8 0 "[ . 1 . 2]"
1 200 ALA 0.121 0.040 9 0 "[ . 1 . 2]"
1 201 SER 0.112 0.065 20 0 "[ . 1 . 2]"
1 202 TYR 0.801 0.139 11 0 "[ . 1 . 2]"
1 203 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 204 PHE 0.039 0.039 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 1 132 THR HA 1 132 THR MG . . 3.230 2.293 2.012 2.604 . 0 0 "[ . 1 . 2]" 1
2 1 102 ILE HA 1 103 LEU HA . . 4.630 4.449 4.392 4.488 . 0 0 "[ . 1 . 2]" 1
3 1 87 ILE HA 1 87 ILE MG . . 2.890 2.280 2.243 2.302 . 0 0 "[ . 1 . 2]" 1
4 1 102 ILE HA 1 102 ILE MG . . 3.640 2.361 2.123 3.174 . 0 0 "[ . 1 . 2]" 1
5 1 69 VAL HA 1 106 GLN H . . 3.530 3.052 2.367 3.277 . 0 0 "[ . 1 . 2]" 1
6 1 151 VAL HA 1 152 GLY H . . 3.050 2.166 2.145 2.256 . 0 0 "[ . 1 . 2]" 1
7 1 176 VAL HA 1 177 THR H . . 3.220 2.185 2.142 2.244 . 0 0 "[ . 1 . 2]" 1
8 1 56 THR HA 1 57 PHE H . . 3.490 2.237 2.161 2.379 . 0 0 "[ . 1 . 2]" 1
9 1 81 PHE HA 1 82 GLN H . . 3.420 2.301 2.154 2.359 . 0 0 "[ . 1 . 2]" 1
10 1 31 GLU HA 1 32 LEU H . . 3.370 2.347 2.140 2.667 . 0 0 "[ . 1 . 2]" 1
11 1 64 SER HA 1 65 SER HA . . 4.380 4.330 4.325 4.342 . 0 0 "[ . 1 . 2]" 1
12 1 80 LYS HA 1 80 LYS QG . . 3.600 2.532 2.133 3.396 . 0 0 "[ . 1 . 2]" 1
13 1 143 ASP HA 1 175 ASP H . . 4.520 4.411 4.026 4.673 0.153 10 0 "[ . 1 . 2]" 1
14 1 143 ASP HA 1 144 LYS H . . 3.480 2.693 2.631 2.859 . 0 0 "[ . 1 . 2]" 1
15 1 156 ASP HA 1 157 LEU H . . 3.510 2.178 2.139 2.246 . 0 0 "[ . 1 . 2]" 1
16 1 95 GLU H 1 133 ASP HA . . 3.370 2.220 1.884 2.668 . 0 0 "[ . 1 . 2]" 1
17 1 32 LEU HA 1 33 GLY H . . 3.480 2.380 2.178 2.677 . 0 0 "[ . 1 . 2]" 1
18 1 156 ASP HA 1 162 MET QB . . 3.320 2.407 1.976 2.736 . 0 0 "[ . 1 . 2]" 1
19 1 80 LYS HA 1 95 GLU HA . . 3.200 2.101 1.971 2.424 . 0 0 "[ . 1 . 2]" 1
20 1 84 GLU HA 1 93 VAL QG . . 4.790 4.040 3.862 4.281 . 0 0 "[ . 1 . 2]" 1
21 1 13 ASN HA 1 14 GLN H . . 3.360 2.422 2.260 2.673 . 0 0 "[ . 1 . 2]" 1
22 1 68 ALA HA 1 69 VAL H . . 3.350 2.458 2.342 2.511 . 0 0 "[ . 1 . 2]" 1
23 1 62 PHE HA 1 68 ALA HA . . 4.110 3.385 3.219 3.646 . 0 0 "[ . 1 . 2]" 1
24 1 56 THR HB 1 57 PHE H . . 3.980 3.273 2.545 3.999 0.019 20 0 "[ . 1 . 2]" 1
25 1 132 THR H 1 132 THR HB . . 3.800 3.146 3.021 3.720 . 0 0 "[ . 1 . 2]" 1
26 1 93 VAL HA 1 135 ALA MB . . 3.800 3.475 2.894 3.987 0.187 8 0 "[ . 1 . 2]" 1
27 1 87 ILE MG 1 93 VAL HA . . 3.690 1.905 1.856 2.035 . 0 0 "[ . 1 . 2]" 1
28 1 184 PRO HA 1 185 VAL H . . 3.560 2.293 2.151 2.380 . 0 0 "[ . 1 . 2]" 1
29 1 184 PRO HA 1 185 VAL HA . . 4.540 4.386 4.365 4.449 . 0 0 "[ . 1 . 2]" 1
30 1 64 SER H 1 65 SER HA . . 5.040 4.929 4.850 5.081 0.041 14 0 "[ . 1 . 2]" 1
31 1 82 GLN HB2 1 88 SER HA . . 4.170 3.326 2.037 4.166 . 0 0 "[ . 1 . 2]" 1
32 1 88 SER HA 1 93 VAL HB . . 4.950 4.598 4.368 4.858 . 0 0 "[ . 1 . 2]" 1
33 1 62 PHE HA 1 68 ALA MB . . 3.950 2.286 1.887 2.801 . 0 0 "[ . 1 . 2]" 1
34 1 137 SER HA 1 138 SER HA . . 4.870 4.471 4.414 4.716 . 0 0 "[ . 1 . 2]" 1
35 1 92 ARG HA 1 93 VAL H . . 3.560 2.229 2.205 2.273 . 0 0 "[ . 1 . 2]" 1
36 1 133 ASP HA 1 134 GLY H . . 3.390 2.323 2.143 2.542 . 0 0 "[ . 1 . 2]" 1
37 1 61 TYR HA 1 62 PHE HA . . 4.510 4.386 4.368 4.399 . 0 0 "[ . 1 . 2]" 1
38 1 173 LYS HB3 1 190 GLU HA . . 3.300 2.135 1.970 2.398 . 0 0 "[ . 1 . 2]" 1
39 1 93 VAL QG 1 135 ALA HA . . 4.780 3.250 2.100 4.305 . 0 0 "[ . 1 . 2]" 1
40 1 125 ARG HA 1 145 TRP H . . 4.990 4.789 4.670 4.927 . 0 0 "[ . 1 . 2]" 1
41 1 140 ASP HA 1 141 ILE H . . 3.440 2.486 2.365 2.666 . 0 0 "[ . 1 . 2]" 1
42 1 83 GLY HA3 1 93 VAL QG . . 4.090 3.094 2.808 3.473 . 0 0 "[ . 1 . 2]" 1
43 1 83 GLY HA2 1 93 VAL QG . . 4.350 3.678 3.557 3.886 . 0 0 "[ . 1 . 2]" 1
44 1 140 ASP H 1 140 ASP HB2 . . 3.910 2.932 2.283 3.810 . 0 0 "[ . 1 . 2]" 1
45 1 154 ARG HE 1 164 ASN HB2 . . 4.150 1.913 1.856 2.213 . 0 0 "[ . 1 . 2]" 1
46 1 140 ASP HB2 1 141 ILE H . . 4.210 3.252 2.238 4.025 . 0 0 "[ . 1 . 2]" 1
47 1 140 ASP HB3 1 141 ILE H . . 4.210 2.743 1.942 3.770 . 0 0 "[ . 1 . 2]" 1
48 1 154 ARG HB2 1 164 ASN HB2 . . 3.840 3.595 2.168 4.014 0.174 18 0 "[ . 1 . 2]" 1
49 1 60 ALA MB 1 164 ASN HB2 . . 5.730 5.788 5.669 6.170 0.440 12 0 "[ . 1 . 2]" 1
50 1 154 ARG HD2 1 162 MET QB . . 4.110 3.016 2.629 3.432 . 0 0 "[ . 1 . 2]" 1
51 1 154 ARG HD3 1 162 MET QB . . 4.110 3.476 2.888 3.821 . 0 0 "[ . 1 . 2]" 1
52 1 13 ASN HB3 1 14 GLN H . . 4.170 3.068 2.341 3.890 . 0 0 "[ . 1 . 2]" 1
53 1 59 ILE H 1 59 ILE HB . . 4.000 2.604 2.370 2.871 . 0 0 "[ . 1 . 2]" 1
54 1 59 ILE HB 1 59 ILE MD . . 3.340 2.866 2.399 3.229 . 0 0 "[ . 1 . 2]" 1
55 1 85 LYS QE 1 85 LYS QG . . 3.380 2.210 1.967 2.830 . 0 0 "[ . 1 . 2]" 1
56 1 133 ASP H 1 133 ASP HB2 . . 4.180 2.602 2.291 2.885 . 0 0 "[ . 1 . 2]" 1
57 1 133 ASP H 1 133 ASP HB3 . . 4.180 3.433 2.528 3.750 . 0 0 "[ . 1 . 2]" 1
58 1 141 ILE HB 1 176 VAL HA . . 4.830 4.252 2.678 4.998 0.168 12 0 "[ . 1 . 2]" 1
59 1 81 PHE H 1 81 PHE QB . . 3.890 2.805 2.268 3.229 . 0 0 "[ . 1 . 2]" 1
60 1 87 ILE HB 1 93 VAL QG . . 3.850 2.013 1.881 2.187 . 0 0 "[ . 1 . 2]" 1
61 1 47 VAL HB 1 48 SER H . . 4.170 3.781 2.317 4.179 0.009 3 0 "[ . 1 . 2]" 1
62 1 185 VAL H 1 185 VAL HB . . 3.630 2.600 2.475 2.843 . 0 0 "[ . 1 . 2]" 1
63 1 167 VAL HB 1 168 ARG H . . 4.360 3.990 3.350 4.312 . 0 0 "[ . 1 . 2]" 1
64 1 173 LYS HB2 1 190 GLU H . . 4.900 3.985 3.472 4.689 . 0 0 "[ . 1 . 2]" 1
65 1 183 VAL H 1 183 VAL HB . . 3.880 3.038 2.507 3.745 . 0 0 "[ . 1 . 2]" 1
66 1 151 VAL H 1 151 VAL HB . . 3.810 3.308 2.868 3.511 . 0 0 "[ . 1 . 2]" 1
67 1 167 VAL H 1 167 VAL HB . . 4.030 2.945 2.719 3.548 . 0 0 "[ . 1 . 2]" 1
68 1 168 ARG HB3 1 195 ILE HB . . 4.130 2.426 1.927 4.172 0.042 5 0 "[ . 1 . 2]" 1
69 1 168 ARG HB2 1 195 ILE HB . . 4.130 3.396 1.936 4.104 . 0 0 "[ . 1 . 2]" 1
70 1 69 VAL H 1 69 VAL HB . . 3.720 3.689 3.166 3.802 0.082 10 0 "[ . 1 . 2]" 1
71 1 117 PRO HB3 1 118 TYR H . . 4.110 3.335 3.319 3.352 . 0 0 "[ . 1 . 2]" 1
72 1 178 GLY H 1 184 PRO HB3 . . 4.090 3.385 2.457 4.186 0.096 10 0 "[ . 1 . 2]" 1
73 1 69 VAL HB 1 105 LEU HA . . 3.910 3.756 3.083 3.922 0.012 11 0 "[ . 1 . 2]" 1
74 1 83 GLY H 1 93 VAL HB . . 3.980 2.698 2.495 3.058 . 0 0 "[ . 1 . 2]" 1
75 1 182 PRO HB3 1 183 VAL H . . 4.610 3.473 3.118 4.603 . 0 0 "[ . 1 . 2]" 1
76 1 81 PHE H 1 93 VAL HB . . 5.240 4.928 4.557 5.224 . 0 0 "[ . 1 . 2]" 1
77 1 69 VAL HB 1 105 LEU H . . 5.500 5.469 5.256 5.591 0.091 5 0 "[ . 1 . 2]" 1
78 1 93 VAL HB 1 94 SER H . . 3.770 2.398 2.176 2.757 . 0 0 "[ . 1 . 2]" 1
79 1 179 THR HB 1 184 PRO HB3 . . 5.960 4.838 1.957 6.156 0.196 16 0 "[ . 1 . 2]" 1
80 1 184 PRO HB3 1 185 VAL H . . 4.040 3.640 3.481 4.091 0.051 13 0 "[ . 1 . 2]" 1
81 1 182 PRO HB2 1 183 VAL H . . 4.310 2.482 1.814 4.308 . 0 0 "[ . 1 . 2]" 1
82 1 178 GLY H 1 184 PRO HB2 . . 4.130 2.807 1.958 3.915 . 0 0 "[ . 1 . 2]" 1
83 1 179 THR HA 1 184 PRO HB2 . . 5.500 4.926 3.934 5.595 0.095 11 0 "[ . 1 . 2]" 1
84 1 177 THR HA 1 184 PRO HB2 . . 4.670 4.361 3.470 4.842 0.172 17 0 "[ . 1 . 2]" 1
85 1 117 PRO HB2 1 153 LEU H . . 5.090 4.984 4.297 5.178 0.088 5 0 "[ . 1 . 2]" 1
86 1 61 TYR H 1 69 VAL HB . . 4.730 4.656 4.280 5.002 0.272 7 0 "[ . 1 . 2]" 1
87 1 81 PHE QB 1 93 VAL HB . . 5.340 4.939 4.539 5.392 0.052 20 0 "[ . 1 . 2]" 1
88 1 127 LEU HA 1 127 LEU HG . . 3.920 3.013 2.223 3.690 . 0 0 "[ . 1 . 2]" 1
89 1 80 LYS QG 1 93 VAL QG . . 5.400 4.683 4.391 5.237 . 0 0 "[ . 1 . 2]" 1
90 1 60 ALA MB 1 154 ARG HB2 . . 5.480 5.550 5.459 5.643 0.163 18 0 "[ . 1 . 2]" 1
91 1 87 ILE MD 1 93 VAL QG . . 4.140 3.687 2.455 3.916 . 0 0 "[ . 1 . 2]" 1
92 1 88 SER HA 1 93 VAL QG . . 4.640 2.213 2.066 2.429 . 0 0 "[ . 1 . 2]" 1
93 1 69 VAL MG2 1 105 LEU HB3 . . 4.310 4.224 3.161 4.540 0.230 12 0 "[ . 1 . 2]" 1
94 1 69 VAL MG1 1 105 LEU HB3 . . 4.360 2.551 2.004 4.453 0.093 1 0 "[ . 1 . 2]" 1
95 1 69 VAL MG1 1 105 LEU HB2 . . 4.650 3.363 2.964 4.745 0.095 1 0 "[ . 1 . 2]" 1
96 1 93 VAL QG 1 135 ALA MB . . 3.940 2.439 1.823 3.501 . 0 0 "[ . 1 . 2]" 1
97 1 87 ILE MD 1 87 ILE MG . . 3.880 1.999 1.908 2.093 . 0 0 "[ . 1 . 2]" 1
98 1 117 PRO HA 1 118 TYR H . . 3.570 2.502 2.486 2.519 . 0 0 "[ . 1 . 2]" 1
99 1 96 VAL HA 1 132 THR H . . 3.970 3.758 3.320 4.050 0.080 3 0 "[ . 1 . 2]" 1
100 1 78 ARG QG 1 96 VAL HA . . 3.820 2.504 1.998 3.140 . 0 0 "[ . 1 . 2]" 1
101 1 27 TYR H 1 193 PRO HA . . 4.350 4.013 3.596 4.386 0.036 12 0 "[ . 1 . 2]" 1
102 1 179 THR HA 1 184 PRO HB3 . . 4.130 3.603 2.260 4.219 0.089 15 0 "[ . 1 . 2]" 1
103 1 179 THR HA 1 179 THR MG . . 3.250 2.638 1.988 3.198 . 0 0 "[ . 1 . 2]" 1
104 1 121 VAL HA 1 122 GLY H . . 3.410 2.301 2.255 2.407 . 0 0 "[ . 1 . 2]" 1
105 1 167 VAL HA 1 195 ILE HB . . 4.770 4.559 4.279 4.849 0.079 1 0 "[ . 1 . 2]" 1
106 1 177 THR HA 1 185 VAL HB . . 4.740 4.398 3.807 4.837 0.097 20 0 "[ . 1 . 2]" 1
107 1 174 THR HA 1 175 ASP H . . 3.560 2.395 2.234 2.531 . 0 0 "[ . 1 . 2]" 1
108 1 47 VAL HA 1 48 SER H . . 3.450 2.226 2.163 2.441 . 0 0 "[ . 1 . 2]" 1
109 1 47 VAL HA 1 83 GLY HA3 . . 4.070 3.236 3.106 3.375 . 0 0 "[ . 1 . 2]" 1
110 1 174 THR HA 1 174 THR MG . . 3.420 2.650 1.945 3.206 . 0 0 "[ . 1 . 2]" 1
111 1 141 ILE HA 1 141 ILE MD . . 4.070 3.656 2.015 4.160 0.090 17 0 "[ . 1 . 2]" 1
112 1 118 TYR H 1 119 VAL HA . . 5.240 4.991 4.865 5.049 . 0 0 "[ . 1 . 2]" 1
113 1 141 ILE HA 1 142 LYS HA . . 4.660 4.391 4.346 4.445 . 0 0 "[ . 1 . 2]" 1
114 1 20 SER HA 1 201 SER HA . . 3.210 2.173 1.882 2.664 . 0 0 "[ . 1 . 2]" 1
115 1 201 SER HA 1 202 TYR HA . . 4.630 4.491 4.452 4.568 . 0 0 "[ . 1 . 2]" 1
116 1 186 SER HA 1 187 THR H . . 3.380 2.155 2.137 2.176 . 0 0 "[ . 1 . 2]" 1
117 1 177 THR MG 1 186 SER HA . . 4.050 4.030 3.724 4.131 0.081 3 0 "[ . 1 . 2]" 1
118 1 186 SER HA 1 187 THR MG . . 3.950 3.711 3.309 3.970 0.020 6 0 "[ . 1 . 2]" 1
119 1 165 SER HA 1 166 ASP H . . 3.340 2.142 2.138 2.172 . 0 0 "[ . 1 . 2]" 1
120 1 104 SER HA 1 105 LEU H . . 3.520 2.464 2.359 2.663 . 0 0 "[ . 1 . 2]" 1
121 1 144 LYS HA 1 145 TRP HA . . 4.690 4.525 4.452 4.590 . 0 0 "[ . 1 . 2]" 1
122 1 71 PHE HA 1 103 LEU HB3 . . 4.000 3.190 2.494 4.406 0.406 11 0 "[ . 1 . 2]" 1
123 1 103 LEU HB2 1 104 SER HA . . 4.940 4.426 4.226 5.731 0.791 11 1 "[ . 1+ . 2]" 1
124 1 104 SER HA 1 105 LEU HB3 . . 5.190 4.656 4.374 4.790 . 0 0 "[ . 1 . 2]" 1
125 1 125 ARG HB2 1 145 TRP HA . . 3.820 3.698 3.347 3.839 0.019 10 0 "[ . 1 . 2]" 1
126 1 144 LYS H 1 145 TRP HA . . 5.170 4.753 4.611 5.046 . 0 0 "[ . 1 . 2]" 1
127 1 125 ARG HA 1 145 TRP HA . . 3.750 2.006 1.912 2.109 . 0 0 "[ . 1 . 2]" 1
128 1 118 TYR HA 1 119 VAL HB . . 4.910 4.559 4.390 4.781 . 0 0 "[ . 1 . 2]" 1
129 1 71 PHE HA 1 103 LEU HB2 . . 4.080 3.562 2.788 4.159 0.079 4 0 "[ . 1 . 2]" 1
130 1 118 TYR HA 1 119 VAL H . . 3.460 2.318 2.229 2.413 . 0 0 "[ . 1 . 2]" 1
131 1 108 HIS HA 1 118 TYR HA . . 4.900 3.006 2.669 3.701 . 0 0 "[ . 1 . 2]" 1
132 1 117 PRO HB2 1 118 TYR HA . . 5.190 4.302 4.204 4.339 . 0 0 "[ . 1 . 2]" 1
133 1 125 ARG HB3 1 145 TRP HA . . 3.820 3.584 2.900 3.861 0.041 5 0 "[ . 1 . 2]" 1
134 1 155 TYR HA 1 156 ASP H . . 3.490 2.323 2.150 2.581 . 0 0 "[ . 1 . 2]" 1
135 1 149 PHE HA 1 150 GLN H . . 3.290 2.263 2.141 2.445 . 0 0 "[ . 1 . 2]" 1
136 1 59 ILE HA 1 59 ILE HG13 . . 3.910 3.170 2.408 3.859 . 0 0 "[ . 1 . 2]" 1
137 1 59 ILE HA 1 59 ILE HG12 . . 3.910 3.453 3.230 3.594 . 0 0 "[ . 1 . 2]" 1
138 1 78 ARG HA 1 97 ASP HA . . 4.020 2.230 1.936 2.725 . 0 0 "[ . 1 . 2]" 1
139 1 56 THR HA 1 57 PHE HA . . 4.600 4.382 4.369 4.413 . 0 0 "[ . 1 . 2]" 1
140 1 188 LYS HA 1 189 ILE H . . 3.290 2.309 2.175 2.437 . 0 0 "[ . 1 . 2]" 1
141 1 150 GLN HA 1 151 VAL HA . . 4.570 4.496 4.448 4.571 0.001 20 0 "[ . 1 . 2]" 1
142 1 150 GLN HA 1 151 VAL H . . 3.260 2.330 2.242 2.525 . 0 0 "[ . 1 . 2]" 1
143 1 94 SER HA 1 95 GLU HA . . 4.570 4.445 4.417 4.513 . 0 0 "[ . 1 . 2]" 1
144 1 163 LEU HA 1 164 ASN H . . 3.400 2.251 2.201 2.373 . 0 0 "[ . 1 . 2]" 1
145 1 175 ASP HA 1 176 VAL H . . 3.530 2.396 2.178 2.553 . 0 0 "[ . 1 . 2]" 1
146 1 154 ARG HE 1 163 LEU HA . . 5.200 5.190 4.736 5.362 0.162 13 0 "[ . 1 . 2]" 1
147 1 173 LYS HA 1 190 GLU HA . . 3.620 2.043 1.908 2.433 . 0 0 "[ . 1 . 2]" 1
148 1 163 LEU HA 1 200 ALA MB . . 3.300 3.066 2.708 3.302 0.002 11 0 "[ . 1 . 2]" 1
149 1 173 LYS HA 1 174 THR H . . 3.360 2.196 2.140 2.305 . 0 0 "[ . 1 . 2]" 1
150 1 154 ARG HE 1 164 ASN HA . . 4.000 3.283 2.750 4.045 0.045 12 0 "[ . 1 . 2]" 1
151 1 154 ARG HA 1 164 ASN HA . . 3.920 2.440 2.360 2.531 . 0 0 "[ . 1 . 2]" 1
152 1 154 ARG HA 1 164 ASN HB2 . . 3.940 3.547 1.985 3.911 . 0 0 "[ . 1 . 2]" 1
153 1 82 GLN HA 1 83 GLY H . . 3.410 2.321 2.266 2.380 . 0 0 "[ . 1 . 2]" 1
154 1 82 GLN HA 1 92 ARG HA . . 5.400 5.075 4.848 5.365 . 0 0 "[ . 1 . 2]" 1
155 1 198 LEU HA 1 199 GLY H . . 3.330 2.159 2.143 2.195 . 0 0 "[ . 1 . 2]" 1
156 1 46 ASP H 1 84 GLU HA . . 4.150 3.360 3.010 3.659 . 0 0 "[ . 1 . 2]" 1
157 1 168 ARG HA 1 168 ARG HD2 . . 4.640 4.184 3.226 4.774 0.134 10 0 "[ . 1 . 2]" 1
158 1 46 ASP HA 1 47 VAL H . . 3.480 2.185 2.144 2.710 . 0 0 "[ . 1 . 2]" 1
159 1 105 LEU HA 1 106 GLN HA . . 4.620 4.370 4.366 4.377 . 0 0 "[ . 1 . 2]" 1
160 1 106 GLN HA 1 107 TYR H . . 3.540 2.213 2.164 2.288 . 0 0 "[ . 1 . 2]" 1
161 1 168 ARG HA 1 168 ARG HD3 . . 4.640 4.004 2.315 4.846 0.206 20 0 "[ . 1 . 2]" 1
162 1 180 LEU HA 1 181 GLY H . . 3.400 2.282 2.143 2.453 . 0 0 "[ . 1 . 2]" 1
163 1 60 ALA MB 1 70 ASP HA . . 3.880 3.185 2.254 3.511 . 0 0 "[ . 1 . 2]" 1
164 1 164 ASN H 1 200 ALA HA . . 3.550 2.718 2.446 3.002 . 0 0 "[ . 1 . 2]" 1
165 1 163 LEU HA 1 200 ALA HA . . 3.960 1.956 1.832 2.081 . 0 0 "[ . 1 . 2]" 1
166 1 19 ALA HA 1 20 SER H . . 3.560 2.166 2.141 2.346 . 0 0 "[ . 1 . 2]" 1
167 1 101 ALA HA 1 102 ILE HA . . 4.480 4.393 4.380 4.413 . 0 0 "[ . 1 . 2]" 1
168 1 63 VAL H 1 68 ALA HA . . 3.940 2.810 2.536 3.091 . 0 0 "[ . 1 . 2]" 1
169 1 102 ILE MD 1 103 LEU H . . 5.500 4.273 2.003 5.069 . 0 0 "[ . 1 . 2]" 1
170 1 93 VAL HA 1 135 ALA H . . 4.250 4.129 3.564 4.310 0.060 12 0 "[ . 1 . 2]" 1
171 1 78 ARG QG 1 79 ALA H . . 4.090 2.617 2.203 2.987 . 0 0 "[ . 1 . 2]" 1
172 1 132 THR H 1 133 ASP H . . 3.980 3.552 2.823 4.078 0.098 6 0 "[ . 1 . 2]" 1
173 1 132 THR HA 1 133 ASP H . . 2.950 2.249 2.141 2.516 . 0 0 "[ . 1 . 2]" 1
174 1 132 THR HB 1 133 ASP H . . 4.670 4.345 4.051 4.518 . 0 0 "[ . 1 . 2]" 1
175 1 59 ILE MD 1 60 ALA H . . 4.140 4.058 3.749 4.220 0.080 15 0 "[ . 1 . 2]" 1
176 1 126 VAL H 1 126 VAL HB . . 3.680 3.036 2.554 3.703 0.023 14 0 "[ . 1 . 2]" 1
177 1 59 ILE HB 1 60 ALA H . . 4.500 4.319 4.101 4.495 . 0 0 "[ . 1 . 2]" 1
178 1 173 LYS HB3 1 190 GLU H . . 4.770 4.215 3.954 4.551 . 0 0 "[ . 1 . 2]" 1
179 1 67 ILE MG 1 108 HIS H . . 4.040 2.956 2.362 4.067 0.027 6 0 "[ . 1 . 2]" 1
180 1 139 PHE HA 1 140 ASP H . . 3.260 2.329 2.224 2.390 . 0 0 "[ . 1 . 2]" 1
181 1 156 ASP H 1 156 ASP HB3 . . 3.870 3.194 2.598 3.778 . 0 0 "[ . 1 . 2]" 1
182 1 140 ASP H 1 177 THR MG . . 4.510 4.335 4.101 4.527 0.017 14 0 "[ . 1 . 2]" 1
183 1 61 TYR H 1 62 PHE H . . 4.360 4.318 4.270 4.379 0.019 12 0 "[ . 1 . 2]" 1
184 1 156 ASP H 1 156 ASP HB2 . . 3.870 3.647 2.837 3.796 . 0 0 "[ . 1 . 2]" 1
185 1 140 ASP H 1 140 ASP HB3 . . 3.910 3.487 2.740 3.868 . 0 0 "[ . 1 . 2]" 1
186 1 82 GLN H 1 82 GLN HB3 . . 3.950 3.355 2.361 3.765 . 0 0 "[ . 1 . 2]" 1
187 1 78 ARG HB2 1 97 ASP H . . 4.560 4.326 3.656 4.646 0.086 10 0 "[ . 1 . 2]" 1
188 1 82 GLN H 1 93 VAL HB . . 4.690 4.564 4.471 4.673 . 0 0 "[ . 1 . 2]" 1
189 1 82 GLN H 1 82 GLN HB2 . . 4.040 3.056 2.683 3.741 . 0 0 "[ . 1 . 2]" 1
190 1 67 ILE HA 1 68 ALA H . . 3.390 2.377 2.149 2.493 . 0 0 "[ . 1 . 2]" 1
191 1 82 GLN HB3 1 92 ARG H . . 5.690 5.754 5.258 6.666 0.976 15 2 "[ .- 1 + 2]" 1
192 1 27 TYR H 1 193 PRO HB2 . . 4.900 4.233 3.649 4.433 . 0 0 "[ . 1 . 2]" 1
193 1 67 ILE MG 1 68 ALA H . . 4.470 3.596 2.316 3.862 . 0 0 "[ . 1 . 2]" 1
194 1 26 VAL H 1 195 ILE MG . . 4.720 4.312 3.352 4.744 0.024 16 0 "[ . 1 . 2]" 1
195 1 173 LYS HB3 1 191 VAL H . . 4.280 3.910 3.600 4.301 0.021 6 0 "[ . 1 . 2]" 1
196 1 25 LYS H 1 195 ILE MG . . 3.990 3.152 2.561 3.531 . 0 0 "[ . 1 . 2]" 1
197 1 27 TYR H 1 195 ILE HA . . 3.940 3.716 3.393 3.960 0.020 8 0 "[ . 1 . 2]" 1
198 1 27 TYR H 1 193 PRO HB3 . . 4.900 4.837 4.525 4.916 0.016 7 0 "[ . 1 . 2]" 1
199 1 180 LEU H 1 180 LEU HB2 . . 4.120 2.951 2.110 3.918 . 0 0 "[ . 1 . 2]" 1
200 1 59 ILE MD 1 71 PHE H . . 5.160 5.035 4.689 5.293 0.133 4 0 "[ . 1 . 2]" 1
201 1 191 VAL H 1 191 VAL HB . . 3.820 3.217 2.922 3.823 0.003 11 0 "[ . 1 . 2]" 1
202 1 71 PHE H 1 72 PHE H . . 4.420 4.252 4.080 4.541 0.121 15 0 "[ . 1 . 2]" 1
203 1 179 THR HB 1 180 LEU H . . 4.440 3.980 2.291 4.484 0.044 16 0 "[ . 1 . 2]" 1
204 1 70 ASP HA 1 71 PHE H . . 3.460 2.179 2.144 2.253 . 0 0 "[ . 1 . 2]" 1
205 1 180 LEU H 1 180 LEU HB3 . . 4.120 2.970 2.450 3.654 . 0 0 "[ . 1 . 2]" 1
206 1 70 ASP H 1 71 PHE H . . 4.340 4.264 4.130 4.345 0.005 12 0 "[ . 1 . 2]" 1
207 1 23 PHE HA 1 198 LEU H . . 4.680 4.639 4.570 4.688 0.008 20 0 "[ . 1 . 2]" 1
208 1 142 LYS QB 1 143 ASP H . . 4.140 3.647 3.278 3.883 . 0 0 "[ . 1 . 2]" 1
209 1 20 SER H 1 202 TYR H . . 4.850 4.621 4.292 4.867 0.017 6 0 "[ . 1 . 2]" 1
210 1 142 LYS HA 1 143 ASP H . . 3.500 2.151 2.140 2.181 . 0 0 "[ . 1 . 2]" 1
211 1 121 VAL HB 1 150 GLN H . . 4.050 3.784 3.274 4.277 0.227 19 0 "[ . 1 . 2]" 1
212 1 70 ASP H 1 105 LEU HA . . 3.670 2.472 2.176 2.643 . 0 0 "[ . 1 . 2]" 1
213 1 19 ALA MB 1 202 TYR H . . 3.860 3.443 2.746 3.999 0.139 11 0 "[ . 1 . 2]" 1
214 1 69 VAL MG2 1 70 ASP H . . 3.410 3.220 1.993 3.456 0.046 12 0 "[ . 1 . 2]" 1
215 1 69 VAL HA 1 70 ASP H . . 3.220 2.281 2.242 2.304 . 0 0 "[ . 1 . 2]" 1
216 1 69 VAL HB 1 70 ASP H . . 3.720 2.876 2.662 3.809 0.089 11 0 "[ . 1 . 2]" 1
217 1 187 THR MG 1 188 LYS H . . 4.310 3.804 3.407 4.053 . 0 0 "[ . 1 . 2]" 1
218 1 163 LEU HA 1 200 ALA H . . 4.800 4.778 4.712 4.840 0.040 9 0 "[ . 1 . 2]" 1
219 1 81 PHE H 1 93 VAL QG . . 5.620 5.086 4.826 5.262 . 0 0 "[ . 1 . 2]" 1
220 1 80 LYS H 1 80 LYS HB3 . . 4.040 2.594 2.330 2.950 . 0 0 "[ . 1 . 2]" 1
221 1 22 ASN HB3 1 200 ALA H . . 4.050 3.351 3.111 3.578 . 0 0 "[ . 1 . 2]" 1
222 1 80 LYS H 1 80 LYS HB2 . . 4.040 2.915 2.284 3.714 . 0 0 "[ . 1 . 2]" 1
223 1 27 TYR HA 1 194 PHE H . . 4.640 4.422 4.232 4.640 0.000 7 0 "[ . 1 . 2]" 1
224 1 167 VAL HA 1 168 ARG H . . 3.540 2.173 2.140 2.290 . 0 0 "[ . 1 . 2]" 1
225 1 168 ARG H 1 195 ILE HB . . 3.920 2.835 2.536 3.068 . 0 0 "[ . 1 . 2]" 1
226 1 96 VAL HB 1 132 THR H . . 4.240 3.337 2.746 4.457 0.217 19 0 "[ . 1 . 2]" 1
227 1 148 ALA MB 1 169 TYR H . . 3.640 3.545 3.130 3.819 0.179 4 0 "[ . 1 . 2]" 1
228 1 183 VAL H 1 184 PRO HD2 . . 4.920 4.468 3.515 4.813 . 0 0 "[ . 1 . 2]" 1
229 1 195 ILE H 1 195 ILE HG12 . . 4.090 3.179 2.104 4.178 0.088 4 0 "[ . 1 . 2]" 1
230 1 169 TYR H 1 169 TYR HB2 . . 4.050 3.250 2.698 3.852 . 0 0 "[ . 1 . 2]" 1
231 1 176 VAL H 1 176 VAL HB . . 3.920 3.101 2.839 3.666 . 0 0 "[ . 1 . 2]" 1
232 1 63 VAL H 1 69 VAL MG1 . . 4.600 4.294 3.738 4.624 0.024 6 0 "[ . 1 . 2]" 1
233 1 169 TYR H 1 169 TYR HB3 . . 4.050 2.987 2.616 3.857 . 0 0 "[ . 1 . 2]" 1
234 1 195 ILE H 1 195 ILE HB . . 4.040 2.649 2.446 2.828 . 0 0 "[ . 1 . 2]" 1
235 1 151 VAL H 1 167 VAL HA . . 4.600 4.563 4.389 4.701 0.101 6 0 "[ . 1 . 2]" 1
236 1 183 VAL H 1 184 PRO HD3 . . 4.920 4.155 2.580 4.822 . 0 0 "[ . 1 . 2]" 1
237 1 164 ASN H 1 164 ASN HB2 . . 3.870 3.477 3.091 3.883 0.013 12 0 "[ . 1 . 2]" 1
238 1 195 ILE H 1 195 ILE HG13 . . 4.090 3.151 2.347 3.997 . 0 0 "[ . 1 . 2]" 1
239 1 195 ILE H 1 195 ILE MG . . 3.920 3.838 3.758 3.881 . 0 0 "[ . 1 . 2]" 1
240 1 107 TYR H 1 119 VAL H . . 3.740 3.410 3.218 3.559 . 0 0 "[ . 1 . 2]" 1
241 1 84 GLU H 1 93 VAL QG . . 3.730 3.312 3.079 3.588 . 0 0 "[ . 1 . 2]" 1
242 1 84 GLU H 1 88 SER HA . . 4.460 3.916 3.752 4.041 . 0 0 "[ . 1 . 2]" 1
243 1 151 VAL H 1 167 VAL HB . . 3.950 3.749 3.458 4.215 0.265 11 0 "[ . 1 . 2]" 1
244 1 101 ALA MB 1 125 ARG H . . 3.830 3.691 3.300 4.031 0.201 12 0 "[ . 1 . 2]" 1
245 1 154 ARG HB3 1 155 TYR H . . 5.000 4.471 4.403 4.504 . 0 0 "[ . 1 . 2]" 1
246 1 155 TYR H 1 164 ASN HB2 . . 4.320 4.296 3.346 4.433 0.113 18 0 "[ . 1 . 2]" 1
247 1 131 LYS H 1 131 LYS HB2 . . 3.960 2.476 2.096 3.320 . 0 0 "[ . 1 . 2]" 1
248 1 131 LYS H 1 131 LYS HB3 . . 3.960 3.301 2.520 3.840 . 0 0 "[ . 1 . 2]" 1
249 1 155 TYR H 1 164 ASN HA . . 3.680 3.008 2.771 3.438 . 0 0 "[ . 1 . 2]" 1
250 1 154 ARG HB2 1 155 TYR H . . 3.990 4.005 3.892 4.091 0.101 14 0 "[ . 1 . 2]" 1
251 1 30 GLU H 1 31 GLU HA . . 4.900 4.733 4.682 4.815 . 0 0 "[ . 1 . 2]" 1
252 1 96 VAL HB 1 131 LYS H . . 4.490 3.070 2.204 4.040 . 0 0 "[ . 1 . 2]" 1
253 1 162 MET QB 1 163 LEU H . . 3.620 2.199 2.044 2.332 . 0 0 "[ . 1 . 2]" 1
254 1 105 LEU H 1 105 LEU HB3 . . 3.840 3.281 2.976 3.489 . 0 0 "[ . 1 . 2]" 1
255 1 173 LYS HB2 1 189 ILE H . . 3.880 3.468 3.143 3.900 0.020 13 0 "[ . 1 . 2]" 1
256 1 173 LYS H 1 173 LYS HB3 . . 4.120 3.202 2.945 3.523 . 0 0 "[ . 1 . 2]" 1
257 1 85 LYS QG 1 86 SER H . . 3.850 3.296 1.785 3.918 0.068 4 0 "[ . 1 . 2]" 1
258 1 105 LEU H 1 105 LEU HG . . 4.390 2.080 1.920 2.650 . 0 0 "[ . 1 . 2]" 1
259 1 59 ILE H 1 59 ILE MD . . 3.690 2.919 2.664 3.503 . 0 0 "[ . 1 . 2]" 1
260 1 185 VAL HA 1 186 SER H . . 3.470 2.168 2.141 2.353 . 0 0 "[ . 1 . 2]" 1
261 1 60 ALA MB 1 61 TYR H . . 3.850 3.116 2.665 3.304 . 0 0 "[ . 1 . 2]" 1
262 1 78 ARG H 1 78 ARG HB2 . . 4.080 2.700 2.366 2.875 . 0 0 "[ . 1 . 2]" 1
263 1 132 THR MG 1 139 PHE H . . 4.280 3.927 3.307 4.335 0.055 20 0 "[ . 1 . 2]" 1
264 1 186 SER H 1 187 THR MG . . 4.090 3.892 3.412 4.108 0.018 20 0 "[ . 1 . 2]" 1
265 1 13 ASN HB2 1 14 GLN H . . 4.170 3.529 1.960 4.094 . 0 0 "[ . 1 . 2]" 1
266 1 61 TYR H 1 69 VAL MG2 . . 3.930 2.404 1.832 3.493 . 0 0 "[ . 1 . 2]" 1
267 1 141 ILE H 1 141 ILE MD . . 4.880 4.092 2.338 4.757 . 0 0 "[ . 1 . 2]" 1
268 1 61 TYR H 1 68 ALA MB . . 3.830 3.761 3.426 3.897 0.067 11 0 "[ . 1 . 2]" 1
269 1 60 ALA H 1 61 TYR H . . 4.640 4.432 4.346 4.518 . 0 0 "[ . 1 . 2]" 1
270 1 61 TYR H 1 62 PHE HA . . 4.910 4.901 4.802 4.992 0.082 12 0 "[ . 1 . 2]" 1
271 1 185 VAL HB 1 186 SER H . . 4.480 4.281 3.463 4.403 . 0 0 "[ . 1 . 2]" 1
272 1 141 ILE H 1 141 ILE HB . . 4.040 3.131 2.662 3.946 . 0 0 "[ . 1 . 2]" 1
273 1 69 VAL H 1 69 VAL MG2 . . 3.580 2.404 2.077 3.734 0.154 7 0 "[ . 1 . 2]" 1
274 1 68 ALA MB 1 69 VAL H . . 3.810 2.262 2.157 2.499 . 0 0 "[ . 1 . 2]" 1
275 1 148 ALA HA 1 149 PHE H . . 3.480 2.400 2.243 2.563 . 0 0 "[ . 1 . 2]" 1
276 1 85 LYS H 1 85 LYS HD3 . . 4.060 2.836 1.925 4.263 0.203 13 0 "[ . 1 . 2]" 1
277 1 18 VAL H 1 60 ALA MB . . 4.100 3.861 3.668 4.129 0.029 13 0 "[ . 1 . 2]" 1
278 1 148 ALA MB 1 149 PHE H . . 3.570 2.434 2.085 2.744 . 0 0 "[ . 1 . 2]" 1
279 1 151 VAL MG1 1 167 VAL H . . 5.380 3.320 2.696 4.607 . 0 0 "[ . 1 . 2]" 1
280 1 151 VAL MG2 1 167 VAL H . . 5.380 4.659 4.305 5.034 . 0 0 "[ . 1 . 2]" 1
281 1 84 GLU HA 1 85 LYS H . . 3.520 2.636 2.609 2.669 . 0 0 "[ . 1 . 2]" 1
282 1 85 LYS H 1 85 LYS HD2 . . 4.060 3.118 1.970 4.212 0.152 7 0 "[ . 1 . 2]" 1
283 1 101 ALA MB 1 102 ILE H . . 4.040 3.435 3.236 3.550 . 0 0 "[ . 1 . 2]" 1
284 1 101 ALA HA 1 102 ILE H . . 3.400 2.176 2.142 2.223 . 0 0 "[ . 1 . 2]" 1
285 1 85 LYS H 1 85 LYS QG . . 3.950 2.239 1.761 2.539 . 0 0 "[ . 1 . 2]" 1
286 1 164 ASN H 1 165 SER H . . 4.830 4.288 4.242 4.338 . 0 0 "[ . 1 . 2]" 1
287 1 165 SER H 1 166 ASP H . . 5.140 4.156 4.065 4.325 . 0 0 "[ . 1 . 2]" 1
288 1 151 VAL HA 1 167 VAL H . . 4.550 4.448 4.358 4.536 . 0 0 "[ . 1 . 2]" 1
289 1 164 ASN HB3 1 165 SER H . . 4.260 4.197 3.872 4.298 0.038 5 0 "[ . 1 . 2]" 1
290 1 164 ASN HB2 1 165 SER H . . 4.160 3.951 3.298 4.206 0.046 18 0 "[ . 1 . 2]" 1
291 1 67 ILE H 1 67 ILE HB . . 4.040 3.827 2.980 3.951 . 0 0 "[ . 1 . 2]" 1
292 1 103 LEU HA 1 104 SER H . . 3.490 2.145 2.138 2.162 . 0 0 "[ . 1 . 2]" 1
293 1 164 ASN HA 1 165 SER H . . 3.280 2.192 2.163 2.333 . 0 0 "[ . 1 . 2]" 1
294 1 21 PHE HA 1 22 ASN H . . 3.410 2.141 2.139 2.147 . 0 0 "[ . 1 . 2]" 1
295 1 12 TYR HA 1 13 ASN H . . 3.460 2.183 2.139 2.823 . 0 0 "[ . 1 . 2]" 1
296 1 123 VAL H 1 123 VAL HB . . 4.090 3.242 2.901 3.746 . 0 0 "[ . 1 . 2]" 1
297 1 70 ASP H 1 104 SER H . . 3.830 3.711 3.551 3.868 0.038 14 0 "[ . 1 . 2]" 1
298 1 80 LYS HA 1 96 VAL H . . 3.760 3.377 3.055 3.617 . 0 0 "[ . 1 . 2]" 1
299 1 79 ALA MB 1 96 VAL H . . 4.640 4.272 3.933 4.540 . 0 0 "[ . 1 . 2]" 1
300 1 137 SER H 1 137 SER HB3 . . 3.980 3.205 2.362 3.928 . 0 0 "[ . 1 . 2]" 1
301 1 117 PRO HB2 1 118 TYR H . . 3.890 2.369 2.331 2.406 . 0 0 "[ . 1 . 2]" 1
302 1 153 LEU H 1 166 ASP HA . . 4.100 3.702 3.558 3.945 . 0 0 "[ . 1 . 2]" 1
303 1 177 THR HA 1 187 THR H . . 4.350 4.044 3.473 4.347 . 0 0 "[ . 1 . 2]" 1
304 1 137 SER H 1 137 SER HB2 . . 3.980 2.731 2.162 4.013 0.033 9 0 "[ . 1 . 2]" 1
305 1 177 THR HB 1 187 THR H . . 4.090 3.778 3.267 4.120 0.030 5 0 "[ . 1 . 2]" 1
306 1 78 ARG QG 1 96 VAL H . . 3.600 2.958 2.635 3.389 . 0 0 "[ . 1 . 2]" 1
307 1 20 SER H 1 59 ILE MD . . 4.090 3.525 3.122 3.968 . 0 0 "[ . 1 . 2]" 1
308 1 187 THR H 1 187 THR HB . . 4.130 3.821 3.741 3.926 . 0 0 "[ . 1 . 2]" 1
309 1 20 SER H 1 59 ILE HA . . 3.880 2.924 2.667 3.418 . 0 0 "[ . 1 . 2]" 1
310 1 186 SER HB2 1 187 THR H . . 4.920 3.684 3.162 4.004 . 0 0 "[ . 1 . 2]" 1
311 1 186 SER HB3 1 187 THR H . . 4.920 4.228 3.881 4.404 . 0 0 "[ . 1 . 2]" 1
312 1 21 PHE HA 1 58 ASP H . . 3.960 2.873 2.584 3.241 . 0 0 "[ . 1 . 2]" 1
313 1 148 ALA H 1 148 ALA MB . . 3.590 2.627 2.404 2.855 . 0 0 "[ . 1 . 2]" 1
314 1 187 THR H 1 187 THR MG . . 3.770 2.678 2.203 3.230 . 0 0 "[ . 1 . 2]" 1
315 1 105 LEU HB2 1 106 GLN H . . 4.050 2.815 2.659 3.031 . 0 0 "[ . 1 . 2]" 1
316 1 177 THR H 1 177 THR HB . . 3.900 3.497 3.404 3.633 . 0 0 "[ . 1 . 2]" 1
317 1 105 LEU HG 1 121 VAL H . . 3.970 3.633 3.139 4.011 0.041 12 0 "[ . 1 . 2]" 1
318 1 177 THR H 1 177 THR MG . . 3.670 2.514 2.393 2.637 . 0 0 "[ . 1 . 2]" 1
319 1 54 THR H 1 54 THR MG . . 3.930 3.117 2.227 3.944 0.014 18 0 "[ . 1 . 2]" 1
320 1 48 SER H 1 49 ILE HA . . 4.720 4.670 4.554 4.769 0.049 14 0 "[ . 1 . 2]" 1
321 1 89 SER H 1 89 SER HB3 . . 4.080 2.796 2.287 3.593 . 0 0 "[ . 1 . 2]" 1
322 1 89 SER H 1 89 SER HB2 . . 4.080 2.485 2.218 3.550 . 0 0 "[ . 1 . 2]" 1
323 1 121 VAL H 1 121 VAL HB . . 3.960 3.463 3.329 3.988 0.028 19 0 "[ . 1 . 2]" 1
324 1 137 SER HA 1 138 SER H . . 3.330 2.272 2.197 2.556 . 0 0 "[ . 1 . 2]" 1
325 1 47 VAL H 1 83 GLY HA2 . . 4.050 4.027 3.970 4.121 0.071 13 0 "[ . 1 . 2]" 1
326 1 95 GLU H 1 132 THR H . . 4.110 3.838 3.595 4.104 . 0 0 "[ . 1 . 2]" 1
327 1 47 VAL H 1 83 GLY HA3 . . 5.500 5.524 5.435 5.600 0.100 16 0 "[ . 1 . 2]" 1
328 1 95 GLU H 1 132 THR HB . . 5.500 4.247 3.588 5.137 . 0 0 "[ . 1 . 2]" 1
329 1 163 LEU HA 1 201 SER H . . 3.940 3.317 2.565 3.632 . 0 0 "[ . 1 . 2]" 1
330 1 200 ALA H 1 201 SER H . . 4.600 4.458 4.432 4.493 . 0 0 "[ . 1 . 2]" 1
331 1 162 MET QB 1 201 SER H . . 4.070 3.053 2.619 4.008 . 0 0 "[ . 1 . 2]" 1
332 1 179 THR H 1 179 THR MG . . 3.940 3.144 1.936 3.968 0.028 10 0 "[ . 1 . 2]" 1
333 1 83 GLY H 1 93 VAL QG . . 3.890 1.826 1.771 1.953 . 0 0 "[ . 1 . 2]" 1
334 1 108 HIS H 1 119 VAL H . . 5.090 5.054 4.957 5.152 0.062 17 0 "[ . 1 . 2]" 1
335 1 108 HIS HA 1 119 VAL H . . 3.830 3.365 3.049 3.862 0.032 8 0 "[ . 1 . 2]" 1
336 1 94 SER HA 1 134 GLY H . . 3.880 2.457 1.969 2.804 . 0 0 "[ . 1 . 2]" 1
337 1 117 PRO HB2 1 152 GLY H . . 3.910 3.688 3.298 3.943 0.033 10 0 "[ . 1 . 2]" 1
338 1 119 VAL H 1 120 GLY H . . 4.970 4.445 4.382 4.496 . 0 0 "[ . 1 . 2]" 1
339 1 120 GLY H 1 121 VAL H . . 5.340 4.472 4.393 4.516 . 0 0 "[ . 1 . 2]" 1
340 1 119 VAL HB 1 120 GLY H . . 4.390 4.119 3.956 4.220 . 0 0 "[ . 1 . 2]" 1
341 1 93 VAL QG 1 94 SER H . . 4.100 3.087 2.858 3.315 . 0 0 "[ . 1 . 2]" 1
342 1 93 VAL H 1 94 SER H . . 3.810 2.197 1.987 2.429 . 0 0 "[ . 1 . 2]" 1
343 1 90 LEU H 1 91 GLY H . . 3.670 2.718 2.616 2.804 . 0 0 "[ . 1 . 2]" 1
344 1 177 THR HA 1 178 GLY H . . 3.350 2.487 2.329 2.615 . 0 0 "[ . 1 . 2]" 1
345 1 177 THR HB 1 178 GLY H . . 3.820 3.676 3.611 3.776 . 0 0 "[ . 1 . 2]" 1
346 1 177 THR MG 1 178 GLY H . . 3.700 3.249 2.784 3.734 0.034 10 0 "[ . 1 . 2]" 1
347 1 123 VAL HA 1 148 ALA H . . 3.850 2.847 2.130 3.321 . 0 0 "[ . 1 . 2]" 1
348 1 90 LEU N 1 91 GLY H . . 3.780 2.521 2.395 2.589 . 0 0 "[ . 1 . 2]" 1
349 1 94 SER H 1 95 GLU N . . 3.880 3.933 3.896 3.962 0.082 18 0 "[ . 1 . 2]" 1
350 1 134 GLY N 1 135 ALA H . . 4.070 3.217 2.209 3.908 . 0 0 "[ . 1 . 2]" 1
351 1 134 GLY H 1 135 ALA N . . 4.150 3.754 3.068 4.243 0.093 17 0 "[ . 1 . 2]" 1
352 1 178 GLY H 1 185 VAL N . . 4.290 4.100 3.630 4.343 0.053 12 0 "[ . 1 . 2]" 1
353 1 46 ASP H 1 85 LYS N . . 3.850 3.780 3.536 3.888 0.038 13 0 "[ . 1 . 2]" 1
354 1 103 LEU N 1 123 VAL H . . 4.320 4.214 3.606 4.350 0.030 5 0 "[ . 1 . 2]" 1
355 1 149 PHE H 1 150 GLN N . . 4.280 4.053 3.906 4.210 . 0 0 "[ . 1 . 2]" 1
356 1 166 ASP N 1 167 VAL H . . 3.940 3.917 3.803 3.951 0.011 17 0 "[ . 1 . 2]" 1
357 1 18 VAL N 1 62 PHE H . . 4.560 4.566 4.278 4.674 0.114 3 0 "[ . 1 . 2]" 1
358 1 68 ALA H 1 69 VAL N . . 4.020 3.921 3.903 3.953 . 0 0 "[ . 1 . 2]" 1
359 1 167 VAL N 1 168 ARG H . . 3.860 3.701 3.551 3.869 0.009 6 0 "[ . 1 . 2]" 1
360 1 81 PHE H 1 95 GLU N . . 4.380 3.872 3.597 4.028 . 0 0 "[ . 1 . 2]" 1
361 1 86 SER H 1 87 ILE N . . 3.940 2.990 2.972 3.013 . 0 0 "[ . 1 . 2]" 1
362 1 90 LEU H 1 91 GLY N . . 3.930 3.282 3.217 3.346 . 0 0 "[ . 1 . 2]" 1
363 1 94 SER N 1 134 GLY H . . 4.270 3.687 3.471 3.964 . 0 0 "[ . 1 . 2]" 1
364 1 87 ILE N 1 88 SER H . . 3.850 2.383 2.376 2.393 . 0 0 "[ . 1 . 2]" 1
365 1 84 GLU N 1 88 SER H . . 3.990 3.956 3.893 4.035 0.045 5 0 "[ . 1 . 2]" 1
366 1 64 SER N 1 66 ASN H . . 5.080 4.476 4.380 5.120 0.040 14 0 "[ . 1 . 2]" 1
367 1 12 TYR H 1 13 ASN N . . 3.700 3.603 3.080 3.694 . 0 0 "[ . 1 . 2]" 1
368 1 165 SER H 1 166 ASP N . . 3.970 3.783 3.696 3.917 . 0 0 "[ . 1 . 2]" 1
369 1 14 GLN N 1 15 GLY H . . 3.860 3.623 3.585 3.746 . 0 0 "[ . 1 . 2]" 1
370 1 17 TRP H 1 18 VAL N . . 4.430 4.036 3.889 4.152 . 0 0 "[ . 1 . 2]" 1
371 1 61 TYR H 1 62 PHE N . . 4.190 3.983 3.921 4.049 . 0 0 "[ . 1 . 2]" 1
372 1 62 PHE N 1 69 VAL H . . 4.440 4.282 4.194 4.345 . 0 0 "[ . 1 . 2]" 1
373 1 70 ASP N 1 71 PHE H . . 3.940 3.731 3.636 3.838 . 0 0 "[ . 1 . 2]" 1
374 1 83 GLY H 1 84 GLU N . . 4.420 2.948 2.775 3.085 . 0 0 "[ . 1 . 2]" 1
375 1 84 GLU H 1 85 LYS N . . 4.320 3.865 3.862 3.867 . 0 0 "[ . 1 . 2]" 1
376 1 95 GLU H 1 133 ASP N . . 4.140 3.401 3.064 3.796 . 0 0 "[ . 1 . 2]" 1
377 1 94 SER H 1 134 GLY N . . 5.460 5.306 5.092 5.473 0.013 4 0 "[ . 1 . 2]" 1
378 1 107 TYR H 1 108 HIS N . . 4.090 3.896 3.825 3.952 . 0 0 "[ . 1 . 2]" 1
379 1 108 HIS N 1 119 VAL H . . 4.260 4.131 4.020 4.276 0.016 12 0 "[ . 1 . 2]" 1
380 1 122 GLY H 1 148 ALA N . . 4.320 4.082 3.759 4.352 0.032 13 0 "[ . 1 . 2]" 1
381 1 126 VAL H 1 127 LEU N . . 4.110 3.967 3.884 4.104 . 0 0 "[ . 1 . 2]" 1
382 1 105 LEU H 1 122 GLY N . . 4.350 3.977 3.887 4.043 . 0 0 "[ . 1 . 2]" 1
383 1 70 ASP H 1 71 PHE N . . 3.940 3.851 3.750 3.906 . 0 0 "[ . 1 . 2]" 1
384 1 132 THR CA 1 133 ASP HA . . 4.040 4.013 4.004 4.029 . 0 0 "[ . 1 . 2]" 1
385 1 195 ILE HA 1 196 LEU CA . . 4.000 3.929 3.924 3.939 . 0 0 "[ . 1 . 2]" 1
386 1 144 LYS CA 1 145 TRP HA . . 4.160 4.042 4.011 4.061 . 0 0 "[ . 1 . 2]" 1
387 1 91 GLY H 1 92 ARG H . . 3.770 2.406 2.315 2.582 . 0 0 "[ . 1 . 2]" 1
388 1 140 ASP H 1 178 GLY H . . 4.650 4.467 4.001 4.728 0.078 6 0 "[ . 1 . 2]" 1
389 1 12 TYR H 1 13 ASN H . . 4.000 3.904 2.817 4.020 0.020 13 0 "[ . 1 . 2]" 1
390 1 153 LEU H 1 165 SER H . . 3.300 3.245 3.032 3.355 0.055 13 0 "[ . 1 . 2]" 1
391 1 164 ASN HD22 1 165 SER H . . 3.820 3.462 3.041 3.819 . 0 0 "[ . 1 . 2]" 1
392 1 18 VAL H 1 61 TYR H . . 5.140 5.002 4.828 5.145 0.005 18 0 "[ . 1 . 2]" 1
393 1 14 GLN H 1 15 GLY H . . 4.630 4.512 4.487 4.593 . 0 0 "[ . 1 . 2]" 1
394 1 16 ASP H 1 62 PHE H . . 4.100 3.954 3.637 4.188 0.088 14 0 "[ . 1 . 2]" 1
395 1 13 ASN H 1 16 ASP H . . 4.370 4.186 3.888 4.522 0.152 13 0 "[ . 1 . 2]" 1
396 1 15 GLY H 1 16 ASP H . . 3.710 2.198 2.050 2.415 . 0 0 "[ . 1 . 2]" 1
397 1 17 TRP H 1 62 PHE H . . 4.640 4.587 4.263 4.727 0.087 17 0 "[ . 1 . 2]" 1
398 1 16 ASP H 1 17 TRP H . . 4.660 4.618 4.585 4.641 . 0 0 "[ . 1 . 2]" 1
399 1 58 ASP H 1 59 ILE H . . 4.510 4.382 4.244 4.446 . 0 0 "[ . 1 . 2]" 1
400 1 19 ALA H 1 20 SER H . . 4.500 4.353 4.179 4.580 0.080 18 0 "[ . 1 . 2]" 1
401 1 123 VAL H 1 148 ALA H . . 4.770 4.639 4.295 4.901 0.131 20 0 "[ . 1 . 2]" 1
402 1 47 VAL H 1 48 SER H . . 4.670 4.484 4.152 4.544 . 0 0 "[ . 1 . 2]" 1
403 1 56 THR H 1 57 PHE H . . 4.600 4.371 4.275 4.483 . 0 0 "[ . 1 . 2]" 1
404 1 20 SER H 1 58 ASP H . . 4.030 3.933 3.416 4.050 0.020 5 0 "[ . 1 . 2]" 1
405 1 60 ALA H 1 71 PHE H . . 4.640 4.648 4.380 4.742 0.102 14 0 "[ . 1 . 2]" 1
406 1 18 VAL H 1 60 ALA H . . 4.230 3.775 3.447 4.030 . 0 0 "[ . 1 . 2]" 1
407 1 14 GLN H 1 16 ASP H . . 5.100 4.942 4.737 5.206 0.106 13 0 "[ . 1 . 2]" 1
408 1 15 GLY H 1 62 PHE H . . 5.100 4.851 4.536 5.052 . 0 0 "[ . 1 . 2]" 1
409 1 63 VAL H 1 64 SER H . . 3.720 2.188 1.995 2.311 . 0 0 "[ . 1 . 2]" 1
410 1 15 GLY H 1 63 VAL H . . 4.450 4.277 4.100 4.448 . 0 0 "[ . 1 . 2]" 1
411 1 64 SER H 1 66 ASN H . . 5.210 4.524 4.411 5.105 . 0 0 "[ . 1 . 2]" 1
412 1 65 SER H 1 67 ILE H . . 4.120 4.093 3.502 4.215 0.095 17 0 "[ . 1 . 2]" 1
413 1 152 GLY H 1 167 VAL H . . 4.880 4.667 4.428 4.889 0.009 20 0 "[ . 1 . 2]" 1
414 1 65 SER H 1 66 ASN H . . 4.050 2.498 2.335 2.537 . 0 0 "[ . 1 . 2]" 1
415 1 66 ASN H 1 67 ILE H . . 3.730 1.995 1.897 2.378 . 0 0 "[ . 1 . 2]" 1
416 1 64 SER H 1 67 ILE H . . 3.930 3.962 3.652 4.050 0.120 13 0 "[ . 1 . 2]" 1
417 1 67 ILE H 1 68 ALA H . . 4.380 4.392 4.184 4.431 0.051 8 0 "[ . 1 . 2]" 1
418 1 63 VAL H 1 69 VAL H . . 4.320 3.844 3.573 4.241 . 0 0 "[ . 1 . 2]" 1
419 1 70 ASP H 1 105 LEU H . . 4.770 4.504 4.304 4.632 . 0 0 "[ . 1 . 2]" 1
420 1 69 VAL H 1 70 ASP H . . 4.700 4.514 4.488 4.544 . 0 0 "[ . 1 . 2]" 1
421 1 61 TYR H 1 70 ASP H . . 4.770 4.732 4.646 4.890 0.120 14 0 "[ . 1 . 2]" 1
422 1 25 LYS H 1 26 VAL H . . 4.330 4.223 4.037 4.331 0.001 4 0 "[ . 1 . 2]" 1
423 1 59 ILE H 1 72 PHE H . . 5.020 4.967 4.764 5.071 0.051 5 0 "[ . 1 . 2]" 1
424 1 72 PHE H 1 103 LEU H . . 5.060 4.626 4.342 4.908 . 0 0 "[ . 1 . 2]" 1
425 1 29 GLY H 1 30 GLU H . . 3.750 2.691 2.266 3.798 0.048 11 0 "[ . 1 . 2]" 1
426 1 30 GLU H 1 31 GLU H . . 4.640 2.627 2.335 2.674 . 0 0 "[ . 1 . 2]" 1
427 1 79 ALA H 1 97 ASP HA . . 4.280 2.727 2.344 3.112 . 0 0 "[ . 1 . 2]" 1
428 1 83 GLY H 1 84 GLU H . . 3.970 2.879 2.577 3.111 . 0 0 "[ . 1 . 2]" 1
429 1 84 GLU H 1 85 LYS H . . 4.620 4.356 4.347 4.359 . 0 0 "[ . 1 . 2]" 1
430 1 86 SER H 1 87 ILE H . . 3.880 2.337 2.313 2.368 . 0 0 "[ . 1 . 2]" 1
431 1 85 LYS H 1 86 SER H . . 3.900 2.742 2.693 2.769 . 0 0 "[ . 1 . 2]" 1
432 1 87 ILE H 1 89 SER H . . 4.900 4.384 4.258 4.512 . 0 0 "[ . 1 . 2]" 1
433 1 86 SER H 1 88 SER H . . 4.040 3.963 3.936 3.984 . 0 0 "[ . 1 . 2]" 1
434 1 83 GLY H 1 88 SER H . . 4.560 4.576 4.408 4.676 0.116 14 0 "[ . 1 . 2]" 1
435 1 89 SER H 1 90 LEU H . . 3.710 2.777 2.678 2.828 . 0 0 "[ . 1 . 2]" 1
436 1 88 SER H 1 89 SER H . . 3.560 2.732 2.670 2.791 . 0 0 "[ . 1 . 2]" 1
437 1 88 SER H 1 91 GLY H . . 5.000 4.967 4.847 5.057 0.057 20 0 "[ . 1 . 2]" 1
438 1 83 GLY H 1 91 GLY H . . 6.170 6.145 5.916 6.210 0.040 7 0 "[ . 1 . 2]" 1
439 1 90 LEU H 1 92 ARG H . . 4.560 4.460 4.346 4.579 0.019 20 0 "[ . 1 . 2]" 1
440 1 92 ARG H 1 93 VAL H . . 3.950 3.919 3.819 3.967 0.017 18 0 "[ . 1 . 2]" 1
441 1 81 PHE H 1 94 SER H . . 3.920 3.250 2.982 3.570 . 0 0 "[ . 1 . 2]" 1
442 1 94 SER H 1 95 GLU H . . 4.380 4.378 4.355 4.421 0.041 18 0 "[ . 1 . 2]" 1
443 1 46 ASP H 1 47 VAL H . . 4.440 4.187 4.026 4.360 . 0 0 "[ . 1 . 2]" 1
444 1 95 GLU H 1 134 GLY H . . 4.210 3.946 3.530 4.273 0.063 14 0 "[ . 1 . 2]" 1
445 1 32 LEU H 1 47 VAL H . . 3.680 3.448 2.466 3.747 0.067 14 0 "[ . 1 . 2]" 1
446 1 97 ASP H 1 98 TYR H . . 4.790 4.556 4.499 4.608 . 0 0 "[ . 1 . 2]" 1
447 1 22 ASN H 1 56 THR H . . 3.640 3.626 3.527 3.705 0.065 3 0 "[ . 1 . 2]" 1
448 1 103 LEU H 1 104 SER H . . 4.470 4.064 3.867 4.321 . 0 0 "[ . 1 . 2]" 1
449 1 102 ILE H 1 103 LEU H . . 4.600 4.411 4.187 4.500 . 0 0 "[ . 1 . 2]" 1
450 1 104 SER H 1 123 VAL H . . 5.150 5.023 4.758 5.163 0.013 12 0 "[ . 1 . 2]" 1
451 1 130 ASP H 1 131 LYS H . . 4.330 4.277 3.979 4.624 0.294 14 0 "[ . 1 . 2]" 1
452 1 131 LYS H 1 132 THR H . . 3.440 2.817 2.479 3.056 . 0 0 "[ . 1 . 2]" 1
453 1 104 SER H 1 105 LEU H . . 4.500 4.407 4.370 4.442 . 0 0 "[ . 1 . 2]" 1
454 1 68 ALA H 1 106 GLN H . . 3.860 3.331 3.068 3.847 . 0 0 "[ . 1 . 2]" 1
455 1 69 VAL H 1 106 GLN H . . 4.900 4.671 4.449 4.828 . 0 0 "[ . 1 . 2]" 1
456 1 108 HIS H 1 108 HIS HD1 . . 5.250 4.650 2.614 5.277 0.027 17 0 "[ . 1 . 2]" 1
457 1 118 TYR H 1 152 GLY H . . 3.370 3.408 3.310 3.470 0.100 19 0 "[ . 1 . 2]" 1
458 1 118 TYR H 1 119 VAL H . . 4.570 4.504 4.465 4.530 . 0 0 "[ . 1 . 2]" 1
459 1 120 GLY H 1 151 VAL H . . 5.500 4.507 4.232 4.707 . 0 0 "[ . 1 . 2]" 1
460 1 107 TYR H 1 120 GLY H . . 4.480 4.469 4.324 4.552 0.072 14 0 "[ . 1 . 2]" 1
461 1 89 SER H 1 91 GLY H . . 4.440 4.382 4.199 4.475 0.035 10 0 "[ . 1 . 2]" 1
462 1 103 LEU H 1 123 VAL H . . 3.610 3.556 2.846 3.705 0.095 12 0 "[ . 1 . 2]" 1
463 1 22 ASN H 1 23 PHE H . . 4.470 4.392 4.383 4.401 . 0 0 "[ . 1 . 2]" 1
464 1 123 VAL H 1 124 GLY H . . 4.490 4.446 4.362 4.539 0.049 19 0 "[ . 1 . 2]" 1
465 1 124 GLY H 1 125 ARG H . . 4.430 4.197 3.922 4.479 0.049 12 0 "[ . 1 . 2]" 1
466 1 126 VAL H 1 144 LYS H . . 4.180 3.822 3.529 4.045 . 0 0 "[ . 1 . 2]" 1
467 1 126 VAL H 1 146 ALA H . . 4.480 4.332 3.822 4.546 0.066 2 0 "[ . 1 . 2]" 1
468 1 153 LEU H 1 154 ARG H . . 4.430 4.405 4.360 4.487 0.057 17 0 "[ . 1 . 2]" 1
469 1 203 VAL H 1 204 PHE H . . 4.720 4.584 4.489 4.616 . 0 0 "[ . 1 . 2]" 1
470 1 133 ASP H 1 134 GLY H . . 4.630 4.452 4.251 4.579 . 0 0 "[ . 1 . 2]" 1
471 1 134 GLY H 1 135 ALA H . . 4.360 3.597 2.426 4.407 0.047 17 0 "[ . 1 . 2]" 1
472 1 94 SER H 1 135 ALA H . . 6.490 5.873 4.729 6.543 0.053 17 0 "[ . 1 . 2]" 1
473 1 136 LEU H 1 137 SER H . . 4.430 4.336 3.428 4.500 0.070 10 0 "[ . 1 . 2]" 1
474 1 137 SER H 1 138 SER H . . 4.290 3.992 2.397 4.253 . 0 0 "[ . 1 . 2]" 1
475 1 141 ILE H 1 177 THR H . . 4.870 4.611 4.301 4.830 . 0 0 "[ . 1 . 2]" 1
476 1 140 ASP H 1 141 ILE H . . 4.620 4.456 4.363 4.540 . 0 0 "[ . 1 . 2]" 1
477 1 141 ILE H 1 142 LYS H . . 4.720 4.417 4.211 4.548 . 0 0 "[ . 1 . 2]" 1
478 1 143 ASP H 1 144 LYS H . . 4.610 4.493 4.349 4.558 . 0 0 "[ . 1 . 2]" 1
479 1 144 LYS H 1 145 TRP H . . 4.450 4.373 4.338 4.432 . 0 0 "[ . 1 . 2]" 1
480 1 46 ASP H 1 88 SER H . . 5.200 5.164 4.824 5.273 0.073 16 0 "[ . 1 . 2]" 1
481 1 45 ALA H 1 46 ASP H . . 4.640 4.525 4.347 4.646 0.006 20 0 "[ . 1 . 2]" 1
482 1 32 LEU H 1 46 ASP H . . 4.350 4.344 4.190 4.407 0.057 16 0 "[ . 1 . 2]" 1
483 1 148 ALA H 1 149 PHE H . . 4.610 4.411 4.305 4.486 . 0 0 "[ . 1 . 2]" 1
484 1 23 PHE H 1 24 SER H . . 4.420 4.470 4.423 4.516 0.096 11 0 "[ . 1 . 2]" 1
485 1 129 PHE H 1 130 ASP H . . 4.620 4.426 4.244 4.546 . 0 0 "[ . 1 . 2]" 1
486 1 154 ARG H 1 155 TYR H . . 4.580 4.267 4.187 4.352 . 0 0 "[ . 1 . 2]" 1
487 1 154 ARG HE 1 155 TYR H . . 4.120 3.842 3.306 4.187 0.067 1 0 "[ . 1 . 2]" 1
488 1 156 ASP H 1 157 LEU H . . 4.560 4.071 3.905 4.305 . 0 0 "[ . 1 . 2]" 1
489 1 154 ARG HE 1 163 LEU H . . 4.710 4.750 4.719 4.805 0.095 6 0 "[ . 1 . 2]" 1
490 1 157 LEU H 1 163 LEU H . . 4.270 3.166 2.315 4.070 . 0 0 "[ . 1 . 2]" 1
491 1 162 MET H 1 163 LEU H . . 4.610 4.491 4.433 4.544 . 0 0 "[ . 1 . 2]" 1
492 1 154 ARG HE 1 164 ASN H . . 4.820 4.680 4.400 4.853 0.033 17 0 "[ . 1 . 2]" 1
493 1 164 ASN HD21 1 165 SER H . . 3.820 2.947 2.137 3.562 . 0 0 "[ . 1 . 2]" 1
494 1 167 VAL H 1 168 ARG H . . 4.590 4.248 4.016 4.422 . 0 0 "[ . 1 . 2]" 1
495 1 169 TYR H 1 195 ILE H . . 5.220 5.119 4.909 5.262 0.042 4 0 "[ . 1 . 2]" 1
496 1 135 ALA H 1 136 LEU H . . 4.000 2.750 2.506 3.256 . 0 0 "[ . 1 . 2]" 1
497 1 174 THR H 1 175 ASP H . . 4.640 4.524 4.453 4.577 . 0 0 "[ . 1 . 2]" 1
498 1 173 LYS H 1 174 THR H . . 4.600 4.327 4.031 4.458 . 0 0 "[ . 1 . 2]" 1
499 1 143 ASP H 1 175 ASP H . . 5.230 5.208 5.095 5.274 0.044 20 0 "[ . 1 . 2]" 1
500 1 175 ASP H 1 189 ILE H . . 5.200 5.072 4.861 5.155 . 0 0 "[ . 1 . 2]" 1
501 1 175 ASP H 1 176 VAL H . . 4.510 4.465 4.072 4.555 0.045 6 0 "[ . 1 . 2]" 1
502 1 177 THR H 1 178 GLY H . . 4.440 4.363 4.322 4.376 . 0 0 "[ . 1 . 2]" 1
503 1 140 ASP H 1 179 THR H . . 5.180 4.982 4.344 5.249 0.069 20 0 "[ . 1 . 2]" 1
504 1 179 THR H 1 180 LEU H . . 4.310 4.076 3.530 4.377 0.067 13 0 "[ . 1 . 2]" 1
505 1 176 VAL H 1 187 THR H . . 3.490 2.999 2.658 3.638 0.148 4 0 "[ . 1 . 2]" 1
506 1 195 ILE H 1 196 LEU H . . 4.460 4.352 4.148 4.480 0.020 10 0 "[ . 1 . 2]" 1
507 1 197 SER H 1 198 LEU H . . 4.640 4.415 4.310 4.492 . 0 0 "[ . 1 . 2]" 1
508 1 165 SER H 1 199 GLY H . . 5.170 5.157 4.993 5.207 0.037 8 0 "[ . 1 . 2]" 1
509 1 23 PHE H 1 199 GLY H . . 4.990 4.675 4.524 4.807 . 0 0 "[ . 1 . 2]" 1
510 1 202 TYR H 1 203 VAL H . . 4.440 4.274 4.029 4.431 . 0 0 "[ . 1 . 2]" 1
511 1 19 ALA H 1 202 TYR H . . 3.380 3.345 3.102 3.505 0.125 11 0 "[ . 1 . 2]" 1
512 1 25 LYS H 1 196 LEU H . . 3.850 2.426 2.158 2.670 . 0 0 "[ . 1 . 2]" 1
513 1 79 ALA H 1 96 VAL H . . 3.880 3.176 2.935 3.392 . 0 0 "[ . 1 . 2]" 1
514 1 72 PHE H 1 102 ILE H . . 3.900 3.893 3.572 4.009 0.109 8 0 "[ . 1 . 2]" 1
515 1 107 TYR H 1 108 HIS H . . 4.490 4.314 4.145 4.409 . 0 0 "[ . 1 . 2]" 1
516 1 133 ASP H 1 139 PHE H . . 4.140 3.373 2.915 3.677 . 0 0 "[ . 1 . 2]" 1
517 1 172 PHE H 1 191 VAL H . . 3.920 3.743 3.515 3.883 . 0 0 "[ . 1 . 2]" 1
518 1 99 GLY H 1 127 LEU H . . 4.140 3.781 2.952 4.182 0.042 20 0 "[ . 1 . 2]" 1
519 1 23 PHE H 1 198 LEU H . . 3.820 2.849 2.754 2.935 . 0 0 "[ . 1 . 2]" 1
520 1 124 GLY H 1 146 ALA H . . 3.920 3.637 3.270 3.798 . 0 0 "[ . 1 . 2]" 1
521 1 142 LYS H 1 175 ASP H . . 4.500 3.533 2.995 4.025 . 0 0 "[ . 1 . 2]" 1
522 1 168 ARG H 1 195 ILE H . . 3.810 3.495 2.988 3.873 0.063 5 0 "[ . 1 . 2]" 1
523 1 27 TYR H 1 194 PHE H . . 3.910 2.551 2.287 2.911 . 0 0 "[ . 1 . 2]" 1
524 1 149 PHE H 1 169 TYR H . . 3.930 3.129 2.856 3.406 . 0 0 "[ . 1 . 2]" 1
525 1 178 GLY H 1 185 VAL H . . 3.680 3.587 3.054 3.738 0.058 8 0 "[ . 1 . 2]" 1
526 1 101 ALA H 1 125 ARG H . . 4.210 4.009 3.294 4.293 0.083 15 0 "[ . 1 . 2]" 1
527 1 164 ASN H 1 199 GLY H . . 3.940 3.359 3.154 3.554 . 0 0 "[ . 1 . 2]" 1
528 1 155 TYR H 1 163 LEU H . . 4.000 3.694 3.429 3.980 . 0 0 "[ . 1 . 2]" 1
529 1 105 LEU H 1 121 VAL H . . 3.610 2.748 2.513 3.141 . 0 0 "[ . 1 . 2]" 1
530 1 59 ILE H 1 71 PHE H . . 3.540 2.744 2.459 3.005 . 0 0 "[ . 1 . 2]" 1
531 1 151 VAL H 1 167 VAL H . . 3.310 2.371 2.190 2.600 . 0 0 "[ . 1 . 2]" 1
532 1 17 TRP H 1 204 PHE H . . 4.430 3.884 3.629 4.469 0.039 18 0 "[ . 1 . 2]" 1
533 1 46 ASP H 1 84 GLU H . . 4.170 2.556 2.390 2.747 . 0 0 "[ . 1 . 2]" 1
534 1 57 PHE H 1 73 VAL H . . 4.120 3.886 3.662 4.141 0.021 14 0 "[ . 1 . 2]" 1
535 1 122 GLY H 1 148 ALA H . . 3.770 3.422 3.023 3.724 . 0 0 "[ . 1 . 2]" 1
536 1 174 THR H 1 189 ILE H . . 4.100 3.005 2.696 3.365 . 0 0 "[ . 1 . 2]" 1
537 1 162 MET H 1 201 SER H . . 3.890 2.967 2.627 3.416 . 0 0 "[ . 1 . 2]" 1
538 1 140 ASP H 1 177 THR H . . 3.930 3.669 2.942 3.942 0.012 14 0 "[ . 1 . 2]" 1
539 1 48 SER H 1 82 GLN H . . 4.000 2.952 2.502 3.528 . 0 0 "[ . 1 . 2]" 1
540 1 138 SER H 1 139 PHE H . . 3.550 3.245 3.090 3.487 . 0 0 "[ . 1 . 2]" 1
541 1 151 VAL H 1 152 GLY H . . 4.420 4.159 4.011 4.298 . 0 0 "[ . 1 . 2]" 1
542 1 120 GLY H 1 150 GLN H . . 3.860 3.686 2.905 3.914 0.054 8 0 "[ . 1 . 2]" 1
543 1 61 TYR H 1 69 VAL H . . 3.230 3.183 2.888 3.341 0.111 12 0 "[ . 1 . 2]" 1
544 1 12 TYR QB 1 13 ASN H . . 4.240 3.419 3.211 3.870 . 0 0 "[ . 1 . 2]" 1
545 1 13 ASN H 1 13 ASN QB . . 3.380 2.819 2.544 3.306 . 0 0 "[ . 1 . 2]" 1
546 1 13 ASN QB 1 14 GLN H . . 3.560 2.700 1.951 3.497 . 0 0 "[ . 1 . 2]" 1
547 1 14 GLN QB 1 15 GLY QA . . 4.620 3.906 3.713 4.213 . 0 0 "[ . 1 . 2]" 1
548 1 16 ASP H 1 62 PHE QB . . 3.970 3.093 2.797 3.302 . 0 0 "[ . 1 . 2]" 1
549 1 19 ALA MB 1 202 TYR QB . . 4.060 2.881 2.336 3.935 . 0 0 "[ . 1 . 2]" 1
550 1 20 SER HA 1 201 SER QB . . 3.820 2.272 1.949 3.490 . 0 0 "[ . 1 . 2]" 1
551 1 20 SER QB 1 201 SER QB . . 3.670 2.701 1.915 3.735 0.065 20 0 "[ . 1 . 2]" 1
552 1 21 PHE H 1 21 PHE QB . . 3.630 2.739 2.339 3.161 . 0 0 "[ . 1 . 2]" 1
553 1 21 PHE QB 1 58 ASP H . . 4.820 4.203 3.613 4.785 . 0 0 "[ . 1 . 2]" 1
554 1 27 TYR H 1 193 PRO QB . . 4.050 3.977 3.504 4.116 0.066 9 0 "[ . 1 . 2]" 1
555 1 27 TYR H 1 195 ILE QG . . 4.770 4.160 3.312 4.798 0.028 7 0 "[ . 1 . 2]" 1
556 1 47 VAL H 1 47 VAL QG . . 4.130 2.146 1.884 2.616 . 0 0 "[ . 1 . 2]" 1
557 1 47 VAL QG 1 83 GLY HA3 . . 4.090 2.677 2.139 3.452 . 0 0 "[ . 1 . 2]" 1
558 1 58 ASP QB 1 71 PHE H . . 4.030 3.848 3.259 4.234 0.204 8 0 "[ . 1 . 2]" 1
559 1 59 ILE H 1 59 ILE QG . . 4.190 3.050 2.184 3.942 . 0 0 "[ . 1 . 2]" 1
560 1 59 ILE H 1 71 PHE QB . . 3.730 2.833 2.564 3.095 . 0 0 "[ . 1 . 2]" 1
561 1 59 ILE HA 1 59 ILE QG . . 3.380 2.792 2.373 3.203 . 0 0 "[ . 1 . 2]" 1
562 1 60 ALA HA 1 70 ASP QB . . 4.740 3.268 2.705 3.806 . 0 0 "[ . 1 . 2]" 1
563 1 63 VAL H 1 63 VAL QG . . 4.060 2.075 1.857 2.652 . 0 0 "[ . 1 . 2]" 1
564 1 63 VAL H 1 64 SER QB . . 4.760 4.441 4.315 4.718 . 0 0 "[ . 1 . 2]" 1
565 1 65 SER H 1 65 SER QB . . 3.650 2.496 2.189 2.901 . 0 0 "[ . 1 . 2]" 1
566 1 69 VAL HA 1 70 ASP QB . . 4.400 4.139 3.898 4.442 0.042 5 0 "[ . 1 . 2]" 1
567 1 69 VAL MG2 1 70 ASP QB . . 5.090 4.491 3.998 4.817 . 0 0 "[ . 1 . 2]" 1
568 1 70 ASP H 1 70 ASP QB . . 3.620 2.955 2.645 3.275 . 0 0 "[ . 1 . 2]" 1
569 1 70 ASP QB 1 71 PHE H . . 4.040 3.221 2.835 3.748 . 0 0 "[ . 1 . 2]" 1
570 1 70 ASP QB 1 71 PHE HA . . 4.780 4.484 4.133 4.677 . 0 0 "[ . 1 . 2]" 1
571 1 70 ASP QB 1 105 LEU HA . . 5.090 3.985 3.276 4.397 . 0 0 "[ . 1 . 2]" 1
572 1 71 PHE QB 1 73 VAL QG . . 4.160 3.236 2.659 4.264 0.104 3 0 "[ . 1 . 2]" 1
573 1 72 PHE H 1 72 PHE QB . . 3.680 2.297 2.130 2.716 . 0 0 "[ . 1 . 2]" 1
574 1 72 PHE QB 1 102 ILE H . . 4.210 3.161 2.558 3.752 . 0 0 "[ . 1 . 2]" 1
575 1 73 VAL H 1 73 VAL QG . . 3.930 2.574 2.105 2.916 . 0 0 "[ . 1 . 2]" 1
576 1 76 PRO QB 1 98 TYR H . . 3.890 3.683 3.123 4.056 0.166 8 0 "[ . 1 . 2]" 1
577 1 76 PRO QB 1 98 TYR QB . . 4.160 3.587 2.462 4.254 0.094 14 0 "[ . 1 . 2]" 1
578 1 76 PRO QG 1 98 TYR HA . . 4.820 4.298 3.837 4.893 0.073 18 0 "[ . 1 . 2]" 1
579 1 76 PRO QG 1 98 TYR QB . . 3.870 2.524 1.831 3.772 . 0 0 "[ . 1 . 2]" 1
580 1 76 PRO QG 1 100 PRO QD . . 3.820 2.636 1.943 2.983 . 0 0 "[ . 1 . 2]" 1
581 1 76 PRO QD 1 100 PRO QD . . 3.790 2.478 1.887 3.032 . 0 0 "[ . 1 . 2]" 1
582 1 78 ARG HA 1 97 ASP QB . . 4.640 2.664 1.971 3.712 . 0 0 "[ . 1 . 2]" 1
583 1 78 ARG HB2 1 97 ASP QB . . 4.770 3.469 2.528 4.458 . 0 0 "[ . 1 . 2]" 1
584 1 79 ALA HA 1 80 LYS QB . . 4.360 4.028 3.952 4.174 . 0 0 "[ . 1 . 2]" 1
585 1 80 LYS H 1 80 LYS QB . . 3.490 2.372 2.208 2.576 . 0 0 "[ . 1 . 2]" 1
586 1 80 LYS HA 1 95 GLU QB . . 3.700 3.389 2.707 3.778 0.078 6 0 "[ . 1 . 2]" 1
587 1 80 LYS QB 1 81 PHE H . . 3.820 3.568 3.012 3.843 0.023 18 0 "[ . 1 . 2]" 1
588 1 82 GLN HB3 1 88 SER QB . . 4.740 3.611 2.619 5.241 0.501 13 1 "[ . 1 + . 2]" 1
589 1 83 GLY HA2 1 87 ILE QG . . 7.030 7.053 7.001 7.131 0.101 16 0 "[ . 1 . 2]" 1
590 1 84 GLU H 1 84 GLU QB . . 3.670 2.940 2.884 2.967 . 0 0 "[ . 1 . 2]" 1
591 1 84 GLU H 1 87 ILE QG . . 5.460 5.469 5.343 5.536 0.076 19 0 "[ . 1 . 2]" 1
592 1 84 GLU HA 1 84 GLU QG . . 3.540 2.472 2.021 2.652 . 0 0 "[ . 1 . 2]" 1
593 1 84 GLU HA 1 87 ILE QG . . 4.550 4.562 4.527 4.600 0.050 11 0 "[ . 1 . 2]" 1
594 1 84 GLU HA 1 88 SER QB . . 4.460 4.189 4.085 4.341 . 0 0 "[ . 1 . 2]" 1
595 1 84 GLU QB 1 88 SER QB . . 4.100 3.338 3.209 3.471 . 0 0 "[ . 1 . 2]" 1
596 1 84 GLU QG 1 85 LYS H . . 3.960 2.208 1.932 3.363 . 0 0 "[ . 1 . 2]" 1
597 1 84 GLU QG 1 85 LYS QG . . 4.730 3.535 2.484 4.714 . 0 0 "[ . 1 . 2]" 1
598 1 84 GLU QG 1 85 LYS QD . . 4.050 3.057 2.149 4.026 . 0 0 "[ . 1 . 2]" 1
599 1 85 LYS QB 1 86 SER H . . 3.760 2.081 1.889 2.610 . 0 0 "[ . 1 . 2]" 1
600 1 85 LYS QD 1 86 SER H . . 4.450 3.267 2.853 3.862 . 0 0 "[ . 1 . 2]" 1
601 1 85 LYS QD 1 86 SER HA . . 6.060 5.720 5.005 6.073 0.013 18 0 "[ . 1 . 2]" 1
602 1 85 LYS QD 1 185 VAL QG . . 6.990 6.947 6.208 7.136 0.146 20 0 "[ . 1 . 2]" 1
603 1 86 SER H 1 86 SER QB . . 3.600 2.329 2.209 2.767 . 0 0 "[ . 1 . 2]" 1
604 1 87 ILE QG 1 88 SER H . . 4.070 3.677 3.581 3.729 . 0 0 "[ . 1 . 2]" 1
605 1 87 ILE QG 1 88 SER HA . . 5.650 5.546 5.492 5.573 . 0 0 "[ . 1 . 2]" 1
606 1 87 ILE QG 1 93 VAL HA . . 4.910 4.505 4.359 5.009 0.099 16 0 "[ . 1 . 2]" 1
607 1 87 ILE QG 1 93 VAL QG . . 4.220 3.121 2.910 3.486 . 0 0 "[ . 1 . 2]" 1
608 1 88 SER QB 1 89 SER H . . 3.820 2.785 2.411 3.299 . 0 0 "[ . 1 . 2]" 1
609 1 88 SER QB 1 93 VAL QG . . 4.740 3.136 2.922 3.363 . 0 0 "[ . 1 . 2]" 1
610 1 89 SER H 1 89 SER QB . . 3.290 2.260 2.154 2.467 . 0 0 "[ . 1 . 2]" 1
611 1 91 GLY QA 1 92 ARG HA . . 4.380 4.008 4.006 4.010 . 0 0 "[ . 1 . 2]" 1
612 1 93 VAL HA 1 134 GLY QA . . 4.740 4.453 3.932 4.887 0.147 9 0 "[ . 1 . 2]" 1
613 1 94 SER HA 1 133 ASP QB . . 4.100 3.674 2.987 4.225 0.125 10 0 "[ . 1 . 2]" 1
614 1 94 SER HA 1 134 GLY QA . . 4.270 4.081 3.754 4.369 0.099 6 0 "[ . 1 . 2]" 1
615 1 94 SER QB 1 133 ASP HA . . 4.040 2.598 1.978 3.355 . 0 0 "[ . 1 . 2]" 1
616 1 95 GLU H 1 95 GLU QB . . 3.690 2.831 2.553 3.213 . 0 0 "[ . 1 . 2]" 1
617 1 96 VAL QG 1 129 PHE QB . . 3.930 3.419 1.892 4.393 0.463 15 0 "[ . 1 . 2]" 1
618 1 96 VAL QG 1 130 ASP H . . 4.800 4.082 3.247 4.824 0.024 11 0 "[ . 1 . 2]" 1
619 1 96 VAL QG 1 131 LYS H . . 3.930 2.020 1.815 2.351 . 0 0 "[ . 1 . 2]" 1
620 1 96 VAL QG 1 132 THR H . . 4.150 3.075 1.844 3.759 . 0 0 "[ . 1 . 2]" 1
621 1 97 ASP H 1 129 PHE QB . . 5.290 3.766 2.096 5.500 0.210 17 0 "[ . 1 . 2]" 1
622 1 100 PRO QB 1 101 ALA H . . 3.860 3.511 3.156 3.598 . 0 0 "[ . 1 . 2]" 1
623 1 102 ILE MG 1 168 ARG QG . . 3.870 3.376 2.468 3.936 0.066 13 0 "[ . 1 . 2]" 1
624 1 102 ILE QG 1 103 LEU H . . 5.200 3.929 2.195 4.652 . 0 0 "[ . 1 . 2]" 1
625 1 102 ILE QG 1 168 ARG QG . . 4.950 3.863 2.094 4.953 0.003 5 0 "[ . 1 . 2]" 1
626 1 103 LEU H 1 123 VAL QG . . 3.870 3.049 2.597 3.472 . 0 0 "[ . 1 . 2]" 1
627 1 103 LEU HB3 1 123 VAL QG . . 4.420 4.100 2.573 4.441 0.021 20 0 "[ . 1 . 2]" 1
628 1 104 SER QB 1 105 LEU H . . 3.970 2.286 1.897 2.504 . 0 0 "[ . 1 . 2]" 1
629 1 106 GLN H 1 106 GLN QB . . 3.600 2.632 2.267 2.918 . 0 0 "[ . 1 . 2]" 1
630 1 106 GLN QB 1 107 TYR H . . 4.390 2.923 2.705 3.094 . 0 0 "[ . 1 . 2]" 1
631 1 106 GLN QB 1 107 TYR HA . . 4.760 4.204 3.927 4.430 . 0 0 "[ . 1 . 2]" 1
632 1 106 GLN QB 1 119 VAL H . . 5.030 4.881 4.498 5.039 0.009 5 0 "[ . 1 . 2]" 1
633 1 107 TYR H 1 118 TYR QB . . 3.810 3.194 2.916 3.398 . 0 0 "[ . 1 . 2]" 1
634 1 108 HIS H 1 118 TYR QB . . 4.040 3.955 3.623 4.081 0.041 16 0 "[ . 1 . 2]" 1
635 1 108 HIS QB 1 118 TYR QB . . 4.400 3.175 2.128 4.160 . 0 0 "[ . 1 . 2]" 1
636 1 117 PRO HB2 1 118 TYR QB . . 4.840 4.762 4.651 4.964 0.124 7 0 "[ . 1 . 2]" 1
637 1 117 PRO HB2 1 151 VAL QG . . 3.990 3.137 2.638 3.433 . 0 0 "[ . 1 . 2]" 1
638 1 118 TYR H 1 151 VAL QG . . 4.370 4.060 3.499 4.376 0.006 1 0 "[ . 1 . 2]" 1
639 1 118 TYR H 1 152 GLY QA . . 4.350 4.010 3.712 4.205 . 0 0 "[ . 1 . 2]" 1
640 1 118 TYR HA 1 119 VAL QG . . 3.870 3.588 3.265 3.801 . 0 0 "[ . 1 . 2]" 1
641 1 118 TYR QB 1 152 GLY H . . 4.720 4.135 3.567 4.821 0.101 9 0 "[ . 1 . 2]" 1
642 1 119 VAL H 1 119 VAL QG . . 3.800 2.297 1.926 2.826 . 0 0 "[ . 1 . 2]" 1
643 1 119 VAL HA 1 120 GLY QA . . 4.350 3.897 3.893 3.903 . 0 0 "[ . 1 . 2]" 1
644 1 120 GLY QA 1 121 VAL HA . . 4.350 3.947 3.937 3.961 . 0 0 "[ . 1 . 2]" 1
645 1 121 VAL H 1 121 VAL QG . . 3.840 2.491 2.320 2.709 . 0 0 "[ . 1 . 2]" 1
646 1 121 VAL HA 1 122 GLY QA . . 4.360 3.929 3.920 3.950 . 0 0 "[ . 1 . 2]" 1
647 1 121 VAL QG 1 122 GLY H . . 3.710 2.097 1.907 2.996 . 0 0 "[ . 1 . 2]" 1
648 1 121 VAL QG 1 150 GLN H . . 4.010 3.660 2.907 4.025 0.015 14 0 "[ . 1 . 2]" 1
649 1 123 VAL QG 1 124 GLY H . . 3.990 2.737 2.126 3.567 . 0 0 "[ . 1 . 2]" 1
650 1 125 ARG H 1 125 ARG QB . . 3.510 2.987 2.844 3.379 . 0 0 "[ . 1 . 2]" 1
651 1 125 ARG QB 1 145 TRP QB . . 4.030 2.101 1.789 2.677 . 0 0 "[ . 1 . 2]" 1
652 1 125 ARG QB 1 146 ALA H . . 3.980 3.710 3.324 3.941 . 0 0 "[ . 1 . 2]" 1
653 1 131 LYS H 1 131 LYS QB . . 3.430 2.338 2.071 2.715 . 0 0 "[ . 1 . 2]" 1
654 1 131 LYS H 1 131 LYS QG . . 4.360 3.550 2.890 4.231 . 0 0 "[ . 1 . 2]" 1
655 1 131 LYS HA 1 131 LYS QG . . 3.690 2.537 2.187 3.069 . 0 0 "[ . 1 . 2]" 1
656 1 131 LYS QB 1 132 THR H . . 3.880 1.957 1.853 2.073 . 0 0 "[ . 1 . 2]" 1
657 1 133 ASP H 1 139 PHE QB . . 4.410 3.932 3.598 4.267 . 0 0 "[ . 1 . 2]" 1
658 1 133 ASP QB 1 134 GLY H . . 3.990 2.923 2.129 3.858 . 0 0 "[ . 1 . 2]" 1
659 1 133 ASP QB 1 139 PHE QB . . 3.140 2.485 1.749 3.169 0.029 10 0 "[ . 1 . 2]" 1
660 1 134 GLY H 1 139 PHE QB . . 4.730 4.134 3.174 4.978 0.248 8 0 "[ . 1 . 2]" 1
661 1 134 GLY QA 1 139 PHE QB . . 4.330 3.003 1.845 4.557 0.227 18 0 "[ . 1 . 2]" 1
662 1 137 SER HA 1 138 SER QB . . 4.910 4.193 3.911 4.495 . 0 0 "[ . 1 . 2]" 1
663 1 137 SER QB 1 138 SER H . . 4.450 3.833 3.688 4.040 . 0 0 "[ . 1 . 2]" 1
664 1 139 PHE H 1 139 PHE QB . . 3.230 2.221 2.102 2.344 . 0 0 "[ . 1 . 2]" 1
665 1 139 PHE HA 1 140 ASP QB . . 4.330 4.200 3.947 4.477 0.147 8 0 "[ . 1 . 2]" 1
666 1 140 ASP H 1 140 ASP QB . . 3.330 2.676 2.254 3.233 . 0 0 "[ . 1 . 2]" 1
667 1 140 ASP H 1 176 VAL QG . . 4.410 3.922 3.578 4.534 0.124 4 0 "[ . 1 . 2]" 1
668 1 140 ASP H 1 178 GLY QA . . 4.190 2.546 2.104 3.033 . 0 0 "[ . 1 . 2]" 1
669 1 140 ASP QB 1 141 ILE HA . . 4.370 4.124 3.824 4.400 0.030 17 0 "[ . 1 . 2]" 1
670 1 140 ASP QB 1 177 THR H . . 4.540 4.097 3.422 4.729 0.189 17 0 "[ . 1 . 2]" 1
671 1 140 ASP QB 1 177 THR MG . . 4.850 3.713 3.002 4.467 . 0 0 "[ . 1 . 2]" 1
672 1 141 ILE HA 1 141 ILE QG . . 3.710 2.660 2.026 3.310 . 0 0 "[ . 1 . 2]" 1
673 1 141 ILE HA 1 176 VAL QG . . 3.580 2.463 1.937 3.329 . 0 0 "[ . 1 . 2]" 1
674 1 141 ILE HB 1 176 VAL QG . . 3.910 3.360 2.242 4.121 0.211 12 0 "[ . 1 . 2]" 1
675 1 141 ILE QG 1 176 VAL QG . . 3.880 2.686 1.840 3.991 0.111 14 0 "[ . 1 . 2]" 1
676 1 143 ASP H 1 143 ASP QB . . 3.670 2.554 2.218 2.935 . 0 0 "[ . 1 . 2]" 1
677 1 143 ASP QB 1 144 LYS H . . 4.000 2.031 1.852 2.291 . 0 0 "[ . 1 . 2]" 1
678 1 147 PRO QB 1 148 ALA H . . 3.870 2.970 2.487 3.384 . 0 0 "[ . 1 . 2]" 1
679 1 148 ALA MB 1 168 ARG QB . . 4.720 3.844 3.117 4.549 . 0 0 "[ . 1 . 2]" 1
680 1 149 PHE H 1 149 PHE QB . . 3.500 2.521 2.230 3.141 . 0 0 "[ . 1 . 2]" 1
681 1 149 PHE H 1 169 TYR QB . . 4.610 4.247 3.272 4.832 0.222 10 0 "[ . 1 . 2]" 1
682 1 150 GLN H 1 150 GLN QB . . 3.680 2.601 2.259 3.201 . 0 0 "[ . 1 . 2]" 1
683 1 150 GLN QB 1 151 VAL H . . 4.060 3.007 2.278 3.474 . 0 0 "[ . 1 . 2]" 1
684 1 150 GLN QE 1 151 VAL H . . 4.650 4.042 2.281 4.712 0.062 11 0 "[ . 1 . 2]" 1
685 1 150 GLN QE 1 167 VAL H . . 5.180 3.949 2.310 5.215 0.035 1 0 "[ . 1 . 2]" 1
686 1 150 GLN QE 1 168 ARG H . . 4.520 3.954 2.778 4.745 0.225 14 0 "[ . 1 . 2]" 1
687 1 151 VAL H 1 167 VAL QG . . 3.950 3.970 3.140 4.146 0.196 17 0 "[ . 1 . 2]" 1
688 1 151 VAL QG 1 167 VAL H . . 4.400 3.210 2.674 4.198 . 0 0 "[ . 1 . 2]" 1
689 1 151 VAL QG 1 167 VAL HB . . 4.560 2.775 1.911 4.388 . 0 0 "[ . 1 . 2]" 1
690 1 152 GLY QA 1 166 ASP HA . . 3.690 1.924 1.870 2.214 . 0 0 "[ . 1 . 2]" 1
691 1 153 LEU H 1 164 ASN QD . . 4.830 4.306 3.593 4.843 0.013 13 0 "[ . 1 . 2]" 1
692 1 153 LEU H 1 166 ASP QB . . 5.160 4.358 3.229 5.202 0.042 20 0 "[ . 1 . 2]" 1
693 1 153 LEU QB 1 154 ARG H . . 4.210 2.703 2.235 3.508 . 0 0 "[ . 1 . 2]" 1
694 1 154 ARG HB3 1 154 ARG QD . . 3.670 3.477 3.387 3.558 . 0 0 "[ . 1 . 2]" 1
695 1 154 ARG QD 1 155 TYR H . . 3.880 2.209 2.012 2.360 . 0 0 "[ . 1 . 2]" 1
696 1 154 ARG QD 1 155 TYR HA . . 3.800 3.631 3.215 3.803 0.003 11 0 "[ . 1 . 2]" 1
697 1 154 ARG QD 1 162 MET QB . . 3.550 2.839 2.439 3.173 . 0 0 "[ . 1 . 2]" 1
698 1 154 ARG HE 1 164 ASN QD . . 3.900 3.124 2.650 3.994 0.094 18 0 "[ . 1 . 2]" 1
699 1 155 TYR H 1 155 TYR QB . . 3.620 2.468 2.292 3.176 . 0 0 "[ . 1 . 2]" 1
700 1 155 TYR H 1 163 LEU QB . . 5.080 3.543 3.113 4.784 . 0 0 "[ . 1 . 2]" 1
701 1 156 ASP QB 1 162 MET QG . . 4.680 2.848 1.904 4.704 0.024 20 0 "[ . 1 . 2]" 1
702 1 156 ASP QB 1 163 LEU H . . 4.930 4.620 4.193 4.943 0.013 11 0 "[ . 1 . 2]" 1
703 1 163 LEU HA 1 201 SER QB . . 5.040 4.646 3.433 5.066 0.026 8 0 "[ . 1 . 2]" 1
704 1 163 LEU QB 1 164 ASN H . . 3.710 3.144 2.463 3.566 . 0 0 "[ . 1 . 2]" 1
705 1 164 ASN QD 1 165 SER H . . 3.240 2.774 2.102 3.250 0.010 2 0 "[ . 1 . 2]" 1
706 1 164 ASN QD 1 166 ASP H . . 5.340 4.548 3.469 5.186 . 0 0 "[ . 1 . 2]" 1
707 1 166 ASP H 1 167 VAL QG . . 4.020 3.867 3.446 4.068 0.048 16 0 "[ . 1 . 2]" 1
708 1 166 ASP HA 1 167 VAL QG . . 3.400 3.171 2.911 3.415 0.015 15 0 "[ . 1 . 2]" 1
709 1 166 ASP QB 1 167 VAL H . . 4.030 2.514 2.202 3.318 . 0 0 "[ . 1 . 2]" 1
710 1 167 VAL H 1 167 VAL QG . . 3.630 2.710 2.184 2.991 . 0 0 "[ . 1 . 2]" 1
711 1 167 VAL QG 1 195 ILE H . . 4.570 3.459 3.015 4.152 . 0 0 "[ . 1 . 2]" 1
712 1 168 ARG H 1 168 ARG QB . . 3.450 2.400 2.263 2.786 . 0 0 "[ . 1 . 2]" 1
713 1 168 ARG H 1 168 ARG QD . . 4.560 3.873 1.872 4.739 0.179 15 0 "[ . 1 . 2]" 1
714 1 168 ARG HA 1 168 ARG QD . . 4.000 3.587 2.295 4.121 0.121 7 0 "[ . 1 . 2]" 1
715 1 168 ARG QB 1 169 TYR H . . 4.350 3.413 2.537 3.795 . 0 0 "[ . 1 . 2]" 1
716 1 168 ARG QB 1 195 ILE H . . 4.020 3.676 2.810 4.150 0.130 18 0 "[ . 1 . 2]" 1
717 1 168 ARG QB 1 195 ILE HB . . 3.600 2.144 1.869 2.795 . 0 0 "[ . 1 . 2]" 1
718 1 168 ARG QB 1 195 ILE MG . . 3.890 3.197 2.502 3.658 . 0 0 "[ . 1 . 2]" 1
719 1 168 ARG QG 1 195 ILE HB . . 4.450 3.461 1.895 4.219 . 0 0 "[ . 1 . 2]" 1
720 1 168 ARG QD 1 169 TYR H . . 4.510 3.602 2.172 4.969 0.459 5 0 "[ . 1 . 2]" 1
721 1 168 ARG QD 1 195 ILE H . . 4.270 3.828 3.130 4.486 0.216 15 0 "[ . 1 . 2]" 1
722 1 168 ARG QD 1 195 ILE HB . . 3.830 2.941 1.903 3.960 0.130 11 0 "[ . 1 . 2]" 1
723 1 168 ARG QD 1 195 ILE QG . . 3.850 3.069 2.126 3.936 0.086 5 0 "[ . 1 . 2]" 1
724 1 172 PHE QB 1 173 LYS H . . 4.060 2.674 2.072 3.439 . 0 0 "[ . 1 . 2]" 1
725 1 173 LYS HA 1 173 LYS QG . . 3.590 3.368 3.325 3.436 . 0 0 "[ . 1 . 2]" 1
726 1 174 THR HA 1 175 ASP QB . . 4.280 4.004 3.862 4.149 . 0 0 "[ . 1 . 2]" 1
727 1 175 ASP HA 1 176 VAL QG . . 4.120 3.348 3.039 4.030 . 0 0 "[ . 1 . 2]" 1
728 1 176 VAL QG 1 177 THR H . . 3.460 2.352 2.146 3.348 . 0 0 "[ . 1 . 2]" 1
729 1 176 VAL QG 1 177 THR HA . . 3.660 3.323 3.072 3.726 0.066 4 0 "[ . 1 . 2]" 1
730 1 176 VAL QG 1 187 THR H . . 4.350 3.358 2.067 4.204 . 0 0 "[ . 1 . 2]" 1
731 1 177 THR HA 1 186 SER QB . . 4.740 4.511 3.656 4.816 0.076 7 0 "[ . 1 . 2]" 1
732 1 177 THR HB 1 186 SER QB . . 4.130 2.970 2.390 3.329 . 0 0 "[ . 1 . 2]" 1
733 1 177 THR MG 1 186 SER QB . . 4.110 3.857 3.045 4.133 0.023 3 0 "[ . 1 . 2]" 1
734 1 178 GLY QA 1 184 PRO HB3 . . 5.880 3.936 2.020 5.363 . 0 0 "[ . 1 . 2]" 1
735 1 179 THR H 1 180 LEU QB . . 5.840 4.640 3.668 5.875 0.035 3 0 "[ . 1 . 2]" 1
736 1 182 PRO QB 1 183 VAL H . . 3.990 2.393 1.803 3.954 . 0 0 "[ . 1 . 2]" 1
737 1 183 VAL HA 1 184 PRO QD . . 3.290 1.904 1.854 1.939 . 0 0 "[ . 1 . 2]" 1
738 1 183 VAL HB 1 184 PRO QD . . 4.270 3.780 2.822 4.385 0.115 16 0 "[ . 1 . 2]" 1
739 1 186 SER QB 1 187 THR H . . 4.210 3.459 3.042 3.566 . 0 0 "[ . 1 . 2]" 1
740 1 188 LYS QG 1 189 ILE H . . 3.750 2.939 1.924 3.799 0.049 4 0 "[ . 1 . 2]" 1
741 1 188 LYS QG 1 189 ILE HA . . 3.890 3.593 3.265 3.953 0.063 9 0 "[ . 1 . 2]" 1
742 1 188 LYS QG 1 190 GLU H . . 4.800 4.333 3.437 4.872 0.072 20 0 "[ . 1 . 2]" 1
743 1 188 LYS QE 1 189 ILE HA . . 4.290 4.222 3.142 4.337 0.047 9 0 "[ . 1 . 2]" 1
744 1 190 GLU HA 1 191 VAL QG . . 4.110 3.578 3.337 4.102 . 0 0 "[ . 1 . 2]" 1
745 1 191 VAL H 1 191 VAL QG . . 4.000 2.427 2.061 2.711 . 0 0 "[ . 1 . 2]" 1
746 1 193 PRO QB 1 194 PHE H . . 3.820 3.193 2.519 3.518 . 0 0 "[ . 1 . 2]" 1
747 1 194 PHE QB 1 195 ILE H . . 4.240 3.504 3.225 3.812 . 0 0 "[ . 1 . 2]" 1
748 1 195 ILE H 1 195 ILE QG . . 3.590 2.514 2.092 3.401 . 0 0 "[ . 1 . 2]" 1
749 1 195 ILE HA 1 195 ILE QG . . 3.600 2.678 2.261 3.182 . 0 0 "[ . 1 . 2]" 1
750 1 195 ILE HA 1 196 LEU QB . . 4.710 4.180 3.951 4.547 . 0 0 "[ . 1 . 2]" 1
751 1 202 TYR H 1 202 TYR QB . . 3.670 2.711 2.521 2.860 . 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 186
_Distance_constraint_stats_list.Viol_count 1366
_Distance_constraint_stats_list.Viol_total 931.150
_Distance_constraint_stats_list.Viol_max 0.182
_Distance_constraint_stats_list.Viol_rms 0.0242
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0125
_Distance_constraint_stats_list.Viol_average_violations_only 0.0341
_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 16 ASP 0.980 0.129 13 0 "[ . 1 . 2]"
1 17 TRP 0.942 0.107 18 0 "[ . 1 . 2]"
1 18 VAL 0.255 0.055 18 0 "[ . 1 . 2]"
1 19 ALA 0.163 0.027 1 0 "[ . 1 . 2]"
1 20 SER 0.092 0.038 18 0 "[ . 1 . 2]"
1 21 PHE 0.705 0.059 13 0 "[ . 1 . 2]"
1 22 ASN 1.715 0.124 18 0 "[ . 1 . 2]"
1 23 PHE 1.842 0.101 12 0 "[ . 1 . 2]"
1 25 LYS 0.374 0.029 11 0 "[ . 1 . 2]"
1 27 TYR 0.445 0.040 13 0 "[ . 1 . 2]"
1 33 GLY 0.084 0.015 19 0 "[ . 1 . 2]"
1 34 ASP 0.006 0.004 16 0 "[ . 1 . 2]"
1 45 ALA 0.006 0.004 16 0 "[ . 1 . 2]"
1 48 SER 0.190 0.019 15 0 "[ . 1 . 2]"
1 56 THR 1.715 0.124 18 0 "[ . 1 . 2]"
1 57 PHE 1.165 0.082 6 0 "[ . 1 . 2]"
1 58 ASP 0.092 0.038 18 0 "[ . 1 . 2]"
1 59 ILE 0.245 0.044 20 0 "[ . 1 . 2]"
1 60 ALA 0.255 0.055 18 0 "[ . 1 . 2]"
1 61 TYR 1.070 0.066 13 0 "[ . 1 . 2]"
1 62 PHE 0.980 0.129 13 0 "[ . 1 . 2]"
1 68 ALA 0.719 0.057 8 0 "[ . 1 . 2]"
1 69 VAL 1.070 0.066 13 0 "[ . 1 . 2]"
1 70 ASP 0.639 0.067 15 0 "[ . 1 . 2]"
1 71 PHE 0.245 0.044 20 0 "[ . 1 . 2]"
1 72 PHE 0.965 0.075 8 0 "[ . 1 . 2]"
1 73 VAL 1.165 0.082 6 0 "[ . 1 . 2]"
1 79 ALA 0.678 0.055 19 0 "[ . 1 . 2]"
1 81 PHE 0.589 0.059 9 0 "[ . 1 . 2]"
1 82 GLN 0.190 0.019 15 0 "[ . 1 . 2]"
1 84 GLU 2.729 0.151 7 0 "[ . 1 . 2]"
1 85 LYS 1.084 0.126 1 0 "[ . 1 . 2]"
1 86 SER 1.212 0.106 20 0 "[ . 1 . 2]"
1 87 ILE 0.006 0.006 8 0 "[ . 1 . 2]"
1 88 SER 2.729 0.151 7 0 "[ . 1 . 2]"
1 89 SER 1.084 0.126 1 0 "[ . 1 . 2]"
1 90 LEU 1.212 0.106 20 0 "[ . 1 . 2]"
1 91 GLY 0.006 0.006 8 0 "[ . 1 . 2]"
1 94 SER 0.589 0.059 9 0 "[ . 1 . 2]"
1 95 GLU 1.850 0.117 8 0 "[ . 1 . 2]"
1 96 VAL 0.678 0.055 19 0 "[ . 1 . 2]"
1 99 GLY 2.164 0.114 15 0 "[ . 1 . 2]"
1 101 ALA 0.805 0.098 19 0 "[ . 1 . 2]"
1 102 ILE 0.965 0.075 8 0 "[ . 1 . 2]"
1 103 LEU 0.548 0.056 6 0 "[ . 1 . 2]"
1 104 SER 0.639 0.067 15 0 "[ . 1 . 2]"
1 105 LEU 1.290 0.101 18 0 "[ . 1 . 2]"
1 106 GLN 0.719 0.057 8 0 "[ . 1 . 2]"
1 107 TYR 0.386 0.034 17 0 "[ . 1 . 2]"
1 118 TYR 0.700 0.065 6 0 "[ . 1 . 2]"
1 119 VAL 0.386 0.034 17 0 "[ . 1 . 2]"
1 120 GLY 0.180 0.028 14 0 "[ . 1 . 2]"
1 121 VAL 1.290 0.101 18 0 "[ . 1 . 2]"
1 122 GLY 1.541 0.083 15 0 "[ . 1 . 2]"
1 123 VAL 0.548 0.056 6 0 "[ . 1 . 2]"
1 124 GLY 0.471 0.053 20 0 "[ . 1 . 2]"
1 125 ARG 0.805 0.098 19 0 "[ . 1 . 2]"
1 126 VAL 2.674 0.130 4 0 "[ . 1 . 2]"
1 127 LEU 2.164 0.114 15 0 "[ . 1 . 2]"
1 132 THR 1.850 0.117 8 0 "[ . 1 . 2]"
1 133 ASP 2.409 0.182 19 0 "[ . 1 . 2]"
1 139 PHE 2.409 0.182 19 0 "[ . 1 . 2]"
1 140 ASP 0.641 0.054 20 0 "[ . 1 . 2]"
1 142 LYS 2.807 0.132 14 0 "[ . 1 . 2]"
1 144 LYS 2.674 0.130 4 0 "[ . 1 . 2]"
1 146 ALA 0.471 0.053 20 0 "[ . 1 . 2]"
1 148 ALA 1.541 0.083 15 0 "[ . 1 . 2]"
1 149 PHE 2.274 0.129 15 0 "[ . 1 . 2]"
1 150 GLN 0.180 0.028 14 0 "[ . 1 . 2]"
1 151 VAL 0.590 0.070 1 0 "[ . 1 . 2]"
1 152 GLY 0.700 0.065 6 0 "[ . 1 . 2]"
1 153 LEU 1.276 0.068 16 0 "[ . 1 . 2]"
1 155 TYR 0.102 0.050 12 0 "[ . 1 . 2]"
1 162 MET 0.192 0.028 20 0 "[ . 1 . 2]"
1 163 LEU 0.102 0.050 12 0 "[ . 1 . 2]"
1 164 ASN 1.180 0.061 12 0 "[ . 1 . 2]"
1 165 SER 1.276 0.068 16 0 "[ . 1 . 2]"
1 166 ASP 0.060 0.012 10 0 "[ . 1 . 2]"
1 167 VAL 0.590 0.070 1 0 "[ . 1 . 2]"
1 168 ARG 1.236 0.125 4 0 "[ . 1 . 2]"
1 169 TYR 2.274 0.129 15 0 "[ . 1 . 2]"
1 172 PHE 1.052 0.104 11 0 "[ . 1 . 2]"
1 174 THR 0.867 0.063 14 0 "[ . 1 . 2]"
1 175 ASP 2.807 0.132 14 0 "[ . 1 . 2]"
1 176 VAL 0.371 0.059 19 0 "[ . 1 . 2]"
1 177 THR 0.641 0.054 20 0 "[ . 1 . 2]"
1 187 THR 0.371 0.059 19 0 "[ . 1 . 2]"
1 188 LYS 0.084 0.015 19 0 "[ . 1 . 2]"
1 189 ILE 0.867 0.063 14 0 "[ . 1 . 2]"
1 191 VAL 1.052 0.104 11 0 "[ . 1 . 2]"
1 194 PHE 0.445 0.040 13 0 "[ . 1 . 2]"
1 195 ILE 1.236 0.125 4 0 "[ . 1 . 2]"
1 196 LEU 0.374 0.029 11 0 "[ . 1 . 2]"
1 197 SER 0.060 0.012 10 0 "[ . 1 . 2]"
1 198 LEU 1.842 0.101 12 0 "[ . 1 . 2]"
1 199 GLY 1.180 0.061 12 0 "[ . 1 . 2]"
1 200 ALA 0.705 0.059 13 0 "[ . 1 . 2]"
1 201 SER 0.192 0.028 20 0 "[ . 1 . 2]"
1 202 TYR 0.163 0.027 1 0 "[ . 1 . 2]"
1 204 PHE 0.942 0.107 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 16 ASP H 1 62 PHE O . . 2.050 2.096 2.064 2.179 0.129 13 0 "[ . 1 . 2]" 2
2 1 16 ASP N 1 62 PHE O . . 3.050 2.844 2.712 2.934 . 0 0 "[ . 1 . 2]" 2
3 1 16 ASP O 1 62 PHE H . . 2.050 1.979 1.836 2.086 0.036 18 0 "[ . 1 . 2]" 2
4 1 16 ASP O 1 62 PHE N . . 3.050 2.801 2.716 2.984 . 0 0 "[ . 1 . 2]" 2
5 1 18 VAL H 1 60 ALA O . . 2.050 2.008 1.893 2.105 0.055 18 0 "[ . 1 . 2]" 2
6 1 18 VAL N 1 60 ALA O . . 3.050 2.786 2.687 2.953 . 0 0 "[ . 1 . 2]" 2
7 1 18 VAL O 1 60 ALA H . . 2.050 1.977 1.863 2.071 0.021 2 0 "[ . 1 . 2]" 2
8 1 18 VAL O 1 60 ALA N . . 3.050 2.846 2.674 2.949 . 0 0 "[ . 1 . 2]" 2
9 1 20 SER H 1 58 ASP O . . 2.050 2.018 1.865 2.088 0.038 18 0 "[ . 1 . 2]" 2
10 1 20 SER N 1 58 ASP O . . 3.050 2.802 2.696 2.955 . 0 0 "[ . 1 . 2]" 2
11 1 20 SER O 1 58 ASP H . . 2.050 1.909 1.793 2.044 . 0 0 "[ . 1 . 2]" 2
12 1 20 SER O 1 58 ASP N . . 3.050 2.737 2.659 2.926 . 0 0 "[ . 1 . 2]" 2
13 1 22 ASN H 1 56 THR O . . 2.050 2.129 2.095 2.174 0.124 18 0 "[ . 1 . 2]" 2
14 1 22 ASN N 1 56 THR O . . 3.050 3.005 2.884 3.095 0.045 12 0 "[ . 1 . 2]" 2
15 1 22 ASN O 1 56 THR H . . 2.050 1.957 1.790 2.064 0.014 13 0 "[ . 1 . 2]" 2
16 1 22 ASN O 1 56 THR N . . 3.050 2.735 2.679 2.822 . 0 0 "[ . 1 . 2]" 2
17 1 34 ASP H 1 45 ALA H . . 5.000 4.870 3.985 5.004 0.004 16 0 "[ . 1 . 2]" 2
18 1 33 GLY H 1 188 LYS H . . 5.000 5.002 4.982 5.015 0.015 19 0 "[ . 1 . 2]" 2
19 1 61 TYR H 1 69 VAL O . . 2.050 1.837 1.773 2.030 . 0 0 "[ . 1 . 2]" 2
20 1 61 TYR N 1 69 VAL O . . 3.050 2.747 2.678 2.887 . 0 0 "[ . 1 . 2]" 2
21 1 61 TYR O 1 69 VAL H . . 2.050 2.090 2.057 2.116 0.066 13 0 "[ . 1 . 2]" 2
22 1 61 TYR O 1 69 VAL N . . 3.050 3.058 3.007 3.093 0.043 13 0 "[ . 1 . 2]" 2
23 1 59 ILE H 1 71 PHE O . . 2.050 2.029 1.857 2.094 0.044 20 0 "[ . 1 . 2]" 2
24 1 59 ILE N 1 71 PHE O . . 3.050 2.929 2.806 3.004 . 0 0 "[ . 1 . 2]" 2
25 1 59 ILE O 1 71 PHE H . . 2.050 1.944 1.794 2.078 0.028 13 0 "[ . 1 . 2]" 2
26 1 59 ILE O 1 71 PHE N . . 3.050 2.837 2.719 2.947 . 0 0 "[ . 1 . 2]" 2
27 1 57 PHE H 1 73 VAL O . . 2.050 2.103 2.072 2.132 0.082 6 0 "[ . 1 . 2]" 2
28 1 57 PHE N 1 73 VAL O . . 3.050 2.890 2.799 2.984 . 0 0 "[ . 1 . 2]" 2
29 1 57 PHE O 1 73 VAL H . . 2.050 2.010 1.835 2.077 0.027 11 0 "[ . 1 . 2]" 2
30 1 57 PHE O 1 73 VAL N . . 3.050 2.896 2.718 3.013 . 0 0 "[ . 1 . 2]" 2
31 1 48 SER H 1 82 GLN O . . 2.050 2.057 2.043 2.069 0.019 15 0 "[ . 1 . 2]" 2
32 1 48 SER N 1 82 GLN O . . 3.050 2.990 2.938 3.019 . 0 0 "[ . 1 . 2]" 2
33 1 48 SER O 1 82 GLN H . . 2.050 1.941 1.796 2.065 0.015 6 0 "[ . 1 . 2]" 2
34 1 48 SER O 1 82 GLN N . . 3.050 2.859 2.736 3.031 . 0 0 "[ . 1 . 2]" 2
35 1 68 ALA H 1 106 GLN O . . 2.050 2.080 2.057 2.107 0.057 8 0 "[ . 1 . 2]" 2
36 1 68 ALA N 1 106 GLN O . . 3.050 3.049 3.022 3.070 0.020 20 0 "[ . 1 . 2]" 2
37 1 68 ALA O 1 106 GLN H . . 2.050 1.950 1.841 2.061 0.011 17 0 "[ . 1 . 2]" 2
38 1 68 ALA O 1 106 GLN N . . 3.050 2.746 2.687 2.818 . 0 0 "[ . 1 . 2]" 2
39 1 70 ASP H 1 104 SER O . . 2.050 1.890 1.764 2.043 . 0 0 "[ . 1 . 2]" 2
40 1 70 ASP N 1 104 SER O . . 3.050 2.751 2.685 2.857 . 0 0 "[ . 1 . 2]" 2
41 1 70 ASP O 1 104 SER H . . 2.050 2.082 2.058 2.117 0.067 15 0 "[ . 1 . 2]" 2
42 1 70 ASP O 1 104 SER N . . 3.050 2.928 2.792 3.021 . 0 0 "[ . 1 . 2]" 2
43 1 72 PHE H 1 102 ILE O . . 2.050 1.963 1.806 2.067 0.017 4 0 "[ . 1 . 2]" 2
44 1 72 PHE N 1 102 ILE O . . 3.050 2.716 2.678 2.844 . 0 0 "[ . 1 . 2]" 2
45 1 72 PHE O 1 102 ILE H . . 2.050 2.095 2.055 2.125 0.075 8 0 "[ . 1 . 2]" 2
46 1 72 PHE O 1 102 ILE N . . 3.050 3.017 2.950 3.058 0.008 5 0 "[ . 1 . 2]" 2
47 1 79 ALA H 1 96 VAL O . . 2.050 2.009 1.786 2.096 0.046 18 0 "[ . 1 . 2]" 2
48 1 79 ALA N 1 96 VAL O . . 3.050 2.949 2.736 3.034 . 0 0 "[ . 1 . 2]" 2
49 1 79 ALA O 1 96 VAL H . . 2.050 2.041 1.814 2.105 0.055 19 0 "[ . 1 . 2]" 2
50 1 79 ALA O 1 96 VAL N . . 3.050 2.992 2.784 3.056 0.006 14 0 "[ . 1 . 2]" 2
51 1 81 PHE H 1 94 SER O . . 2.050 1.877 1.777 2.059 0.009 18 0 "[ . 1 . 2]" 2
52 1 81 PHE N 1 94 SER O . . 3.050 2.781 2.715 2.929 . 0 0 "[ . 1 . 2]" 2
53 1 81 PHE O 1 94 SER H . . 2.050 2.078 2.046 2.109 0.059 9 0 "[ . 1 . 2]" 2
54 1 81 PHE O 1 94 SER N . . 3.050 2.924 2.769 3.071 0.021 20 0 "[ . 1 . 2]" 2
55 1 107 TYR H 1 119 VAL O . . 2.050 1.946 1.804 2.064 0.014 1 0 "[ . 1 . 2]" 2
56 1 107 TYR N 1 119 VAL O . . 3.050 2.813 2.731 2.956 . 0 0 "[ . 1 . 2]" 2
57 1 107 TYR O 1 119 VAL H . . 2.050 2.068 2.052 2.084 0.034 17 0 "[ . 1 . 2]" 2
58 1 107 TYR O 1 119 VAL N . . 3.050 2.906 2.817 2.971 . 0 0 "[ . 1 . 2]" 2
59 1 105 LEU H 1 121 VAL O . . 2.050 2.068 2.002 2.093 0.043 15 0 "[ . 1 . 2]" 2
60 1 105 LEU N 1 121 VAL O . . 3.050 3.012 2.943 3.044 . 0 0 "[ . 1 . 2]" 2
61 1 105 LEU O 1 121 VAL H . . 2.050 2.094 2.050 2.151 0.101 18 0 "[ . 1 . 2]" 2
62 1 105 LEU O 1 121 VAL N . . 3.050 2.964 2.910 3.018 . 0 0 "[ . 1 . 2]" 2
63 1 103 LEU H 1 123 VAL O . . 2.050 1.910 1.763 2.065 0.015 2 0 "[ . 1 . 2]" 2
64 1 103 LEU N 1 123 VAL O . . 3.050 2.839 2.729 3.032 . 0 0 "[ . 1 . 2]" 2
65 1 103 LEU O 1 123 VAL H . . 2.050 2.067 1.951 2.106 0.056 6 0 "[ . 1 . 2]" 2
66 1 103 LEU O 1 123 VAL N . . 3.050 2.913 2.818 3.033 . 0 0 "[ . 1 . 2]" 2
67 1 101 ALA H 1 125 ARG O . . 2.050 2.090 2.040 2.148 0.098 19 0 "[ . 1 . 2]" 2
68 1 101 ALA N 1 125 ARG O . . 3.050 2.919 2.799 3.001 . 0 0 "[ . 1 . 2]" 2
69 1 101 ALA O 1 125 ARG H . . 2.050 1.893 1.781 2.021 . 0 0 "[ . 1 . 2]" 2
70 1 101 ALA O 1 125 ARG N . . 3.050 2.724 2.646 2.803 . 0 0 "[ . 1 . 2]" 2
71 1 99 GLY H 1 127 LEU O . . 2.050 2.066 1.782 2.161 0.111 18 0 "[ . 1 . 2]" 2
72 1 99 GLY N 1 127 LEU O . . 3.050 2.738 2.662 3.036 . 0 0 "[ . 1 . 2]" 2
73 1 99 GLY O 1 127 LEU H . . 2.050 2.097 1.928 2.164 0.114 15 0 "[ . 1 . 2]" 2
74 1 99 GLY O 1 127 LEU N . . 3.050 3.025 2.789 3.107 0.057 14 0 "[ . 1 . 2]" 2
75 1 95 GLU H 1 132 THR O . . 2.050 1.984 1.811 2.086 0.036 6 0 "[ . 1 . 2]" 2
76 1 95 GLU N 1 132 THR O . . 3.050 2.807 2.664 3.007 . 0 0 "[ . 1 . 2]" 2
77 1 95 GLU O 1 132 THR H . . 2.050 2.124 2.080 2.167 0.117 8 0 "[ . 1 . 2]" 2
78 1 95 GLU O 1 132 THR N . . 3.050 2.995 2.864 3.108 0.058 15 0 "[ . 1 . 2]" 2
79 1 118 TYR H 1 152 GLY O . . 2.050 1.809 1.775 1.884 . 0 0 "[ . 1 . 2]" 2
80 1 118 TYR N 1 152 GLY O . . 3.050 2.713 2.692 2.760 . 0 0 "[ . 1 . 2]" 2
81 1 118 TYR O 1 152 GLY H . . 2.050 2.083 2.058 2.115 0.065 6 0 "[ . 1 . 2]" 2
82 1 118 TYR O 1 152 GLY N . . 3.050 3.027 2.915 3.071 0.021 12 0 "[ . 1 . 2]" 2
83 1 120 GLY H 1 150 GLN O . . 2.050 1.862 1.761 2.063 0.013 20 0 "[ . 1 . 2]" 2
84 1 120 GLY N 1 150 GLN O . . 3.050 2.757 2.692 2.931 . 0 0 "[ . 1 . 2]" 2
85 1 120 GLY O 1 150 GLN H . . 2.050 2.049 1.967 2.078 0.028 14 0 "[ . 1 . 2]" 2
86 1 120 GLY O 1 150 GLN N . . 3.050 2.908 2.675 3.032 . 0 0 "[ . 1 . 2]" 2
87 1 122 GLY H 1 148 ALA O . . 2.050 2.083 2.022 2.133 0.083 15 0 "[ . 1 . 2]" 2
88 1 122 GLY N 1 148 ALA O . . 3.050 3.045 2.990 3.086 0.036 15 0 "[ . 1 . 2]" 2
89 1 122 GLY O 1 148 ALA H . . 2.050 2.084 2.050 2.117 0.067 6 0 "[ . 1 . 2]" 2
90 1 122 GLY O 1 148 ALA N . . 3.050 2.969 2.865 3.064 0.014 12 0 "[ . 1 . 2]" 2
91 1 124 GLY H 1 146 ALA O . . 2.050 1.944 1.859 2.082 0.032 13 0 "[ . 1 . 2]" 2
92 1 124 GLY N 1 146 ALA O . . 3.050 2.766 2.678 2.932 . 0 0 "[ . 1 . 2]" 2
93 1 124 GLY O 1 146 ALA H . . 2.050 2.065 2.001 2.103 0.053 20 0 "[ . 1 . 2]" 2
94 1 124 GLY O 1 146 ALA N . . 3.050 2.996 2.910 3.059 0.009 10 0 "[ . 1 . 2]" 2
95 1 126 VAL H 1 144 LYS O . . 2.050 2.059 1.903 2.112 0.062 14 0 "[ . 1 . 2]" 2
96 1 126 VAL N 1 144 LYS O . . 3.050 2.867 2.742 2.978 . 0 0 "[ . 1 . 2]" 2
97 1 126 VAL O 1 144 LYS H . . 2.050 2.133 2.083 2.180 0.130 4 0 "[ . 1 . 2]" 2
98 1 126 VAL O 1 144 LYS N . . 3.050 3.077 3.001 3.106 0.056 7 0 "[ . 1 . 2]" 2
99 1 133 ASP H 1 139 PHE O . . 2.050 2.093 2.024 2.166 0.116 20 0 "[ . 1 . 2]" 2
100 1 133 ASP N 1 139 PHE O . . 3.050 2.875 2.740 3.016 . 0 0 "[ . 1 . 2]" 2
101 1 133 ASP O 1 139 PHE H . . 2.050 2.110 1.975 2.232 0.182 19 0 "[ . 1 . 2]" 2
102 1 133 ASP O 1 139 PHE N . . 3.050 2.909 2.717 3.098 0.048 18 0 "[ . 1 . 2]" 2
103 1 155 TYR H 1 163 LEU O . . 2.050 1.932 1.816 2.075 0.025 12 0 "[ . 1 . 2]" 2
104 1 155 TYR N 1 163 LEU O . . 3.050 2.789 2.699 3.036 . 0 0 "[ . 1 . 2]" 2
105 1 155 TYR O 1 163 LEU H . . 2.050 1.884 1.791 2.100 0.050 12 0 "[ . 1 . 2]" 2
106 1 155 TYR O 1 163 LEU N . . 3.050 2.798 2.742 3.024 . 0 0 "[ . 1 . 2]" 2
107 1 153 LEU H 1 165 SER O . . 2.050 1.912 1.786 2.071 0.021 12 0 "[ . 1 . 2]" 2
108 1 153 LEU N 1 165 SER O . . 3.050 2.793 2.714 2.978 . 0 0 "[ . 1 . 2]" 2
109 1 153 LEU O 1 165 SER H . . 2.050 2.097 2.062 2.118 0.068 16 0 "[ . 1 . 2]" 2
110 1 153 LEU O 1 165 SER N . . 3.050 3.064 3.028 3.089 0.039 11 0 "[ . 1 . 2]" 2
111 1 151 VAL H 1 167 VAL O . . 2.050 2.060 1.866 2.120 0.070 1 0 "[ . 1 . 2]" 2
112 1 151 VAL N 1 167 VAL O . . 3.050 2.884 2.751 2.990 . 0 0 "[ . 1 . 2]" 2
113 1 151 VAL O 1 167 VAL H . . 2.050 1.985 1.788 2.085 0.035 13 0 "[ . 1 . 2]" 2
114 1 151 VAL O 1 167 VAL N . . 3.050 2.763 2.693 2.934 . 0 0 "[ . 1 . 2]" 2
115 1 149 PHE H 1 169 TYR O . . 2.050 2.127 2.089 2.179 0.129 15 0 "[ . 1 . 2]" 2
116 1 149 PHE N 1 169 TYR O . . 3.050 3.081 3.064 3.122 0.072 8 0 "[ . 1 . 2]" 2
117 1 149 PHE O 1 169 TYR H . . 2.050 1.963 1.792 2.083 0.033 7 0 "[ . 1 . 2]" 2
118 1 149 PHE O 1 169 TYR N . . 3.050 2.892 2.707 3.039 . 0 0 "[ . 1 . 2]" 2
119 1 142 LYS H 1 175 ASP O . . 2.050 1.871 1.756 2.076 0.026 11 0 "[ . 1 . 2]" 2
120 1 142 LYS N 1 175 ASP O . . 3.050 2.699 2.645 2.745 . 0 0 "[ . 1 . 2]" 2
121 1 142 LYS O 1 175 ASP H . . 2.050 2.143 2.104 2.182 0.132 14 0 "[ . 1 . 2]" 2
122 1 142 LYS O 1 175 ASP N . . 3.050 3.093 3.026 3.145 0.095 14 0 "[ . 1 . 2]" 2
123 1 140 ASP H 1 177 THR O . . 2.050 2.016 1.855 2.094 0.044 11 0 "[ . 1 . 2]" 2
124 1 140 ASP N 1 177 THR O . . 3.050 2.806 2.720 2.953 . 0 0 "[ . 1 . 2]" 2
125 1 140 ASP O 1 177 THR H . . 2.050 2.065 1.995 2.104 0.054 20 0 "[ . 1 . 2]" 2
126 1 140 ASP O 1 177 THR N . . 3.050 2.959 2.876 3.019 . 0 0 "[ . 1 . 2]" 2
127 1 162 MET H 1 201 SER O . . 2.050 2.030 1.867 2.068 0.018 12 0 "[ . 1 . 2]" 2
128 1 162 MET N 1 201 SER O . . 3.050 2.915 2.778 3.023 . 0 0 "[ . 1 . 2]" 2
129 1 162 MET O 1 201 SER H . . 2.050 2.019 1.792 2.078 0.028 20 0 "[ . 1 . 2]" 2
130 1 162 MET O 1 201 SER N . . 3.050 2.932 2.759 3.002 . 0 0 "[ . 1 . 2]" 2
131 1 164 ASN H 1 199 GLY O . . 2.050 2.066 1.994 2.111 0.061 12 0 "[ . 1 . 2]" 2
132 1 164 ASN N 1 199 GLY O . . 3.050 3.038 2.965 3.083 0.033 12 0 "[ . 1 . 2]" 2
133 1 164 ASN O 1 199 GLY H . . 2.050 2.083 2.055 2.107 0.057 13 0 "[ . 1 . 2]" 2
134 1 164 ASN O 1 199 GLY N . . 3.050 3.042 3.006 3.063 0.013 3 0 "[ . 1 . 2]" 2
135 1 166 ASP H 1 197 SER O . . 2.050 1.937 1.791 2.060 0.010 16 0 "[ . 1 . 2]" 2
136 1 166 ASP N 1 197 SER O . . 3.050 2.877 2.733 3.019 . 0 0 "[ . 1 . 2]" 2
137 1 166 ASP O 1 197 SER H . . 2.050 1.978 1.852 2.062 0.012 10 0 "[ . 1 . 2]" 2
138 1 166 ASP O 1 197 SER N . . 3.050 2.800 2.685 2.966 . 0 0 "[ . 1 . 2]" 2
139 1 168 ARG H 1 195 ILE O . . 2.050 1.870 1.764 2.008 . 0 0 "[ . 1 . 2]" 2
140 1 168 ARG N 1 195 ILE O . . 3.050 2.753 2.696 2.956 . 0 0 "[ . 1 . 2]" 2
141 1 168 ARG O 1 195 ILE H . . 2.050 2.097 1.962 2.175 0.125 4 0 "[ . 1 . 2]" 2
142 1 168 ARG O 1 195 ILE N . . 3.050 3.036 2.881 3.098 0.048 13 0 "[ . 1 . 2]" 2
143 1 174 THR H 1 189 ILE O . . 2.050 2.083 2.037 2.113 0.063 14 0 "[ . 1 . 2]" 2
144 1 174 THR N 1 189 ILE O . . 3.050 2.936 2.849 3.010 . 0 0 "[ . 1 . 2]" 2
145 1 174 THR O 1 189 ILE H . . 2.050 2.037 1.914 2.092 0.042 20 0 "[ . 1 . 2]" 2
146 1 174 THR O 1 189 ILE N . . 3.050 2.952 2.750 3.010 . 0 0 "[ . 1 . 2]" 2
147 1 172 PHE H 1 191 VAL O . . 2.050 2.096 2.001 2.154 0.104 11 0 "[ . 1 . 2]" 2
148 1 172 PHE N 1 191 VAL O . . 3.050 2.944 2.782 3.082 0.032 11 0 "[ . 1 . 2]" 2
149 1 172 PHE O 1 191 VAL H . . 2.050 1.975 1.871 2.061 0.011 11 0 "[ . 1 . 2]" 2
150 1 172 PHE O 1 191 VAL N . . 3.050 2.822 2.709 2.970 . 0 0 "[ . 1 . 2]" 2
151 1 176 VAL H 1 187 THR O . . 2.050 2.034 1.917 2.109 0.059 19 0 "[ . 1 . 2]" 2
152 1 176 VAL N 1 187 THR O . . 3.050 2.886 2.714 2.983 . 0 0 "[ . 1 . 2]" 2
153 1 176 VAL O 1 187 THR H . . 2.050 1.996 1.854 2.101 0.051 5 0 "[ . 1 . 2]" 2
154 1 176 VAL O 1 187 THR N . . 3.050 2.935 2.794 3.045 . 0 0 "[ . 1 . 2]" 2
155 1 17 TRP O 1 204 PHE H . . 2.050 2.053 1.987 2.080 0.030 2 0 "[ . 1 . 2]" 2
156 1 17 TRP O 1 204 PHE N . . 3.050 2.720 2.678 2.860 . 0 0 "[ . 1 . 2]" 2
157 1 17 TRP H 1 204 PHE O . . 2.050 2.086 2.056 2.157 0.107 18 0 "[ . 1 . 2]" 2
158 1 17 TRP N 1 204 PHE O . . 3.050 2.939 2.836 3.040 . 0 0 "[ . 1 . 2]" 2
159 1 19 ALA O 1 202 TYR H . . 2.050 1.917 1.782 2.058 0.008 11 0 "[ . 1 . 2]" 2
160 1 19 ALA O 1 202 TYR N . . 3.050 2.770 2.706 2.949 . 0 0 "[ . 1 . 2]" 2
161 1 19 ALA H 1 202 TYR O . . 2.050 2.032 1.916 2.077 0.027 1 0 "[ . 1 . 2]" 2
162 1 19 ALA N 1 202 TYR O . . 3.050 2.778 2.711 2.873 . 0 0 "[ . 1 . 2]" 2
163 1 21 PHE O 1 200 ALA H . . 2.050 2.076 2.049 2.109 0.059 13 0 "[ . 1 . 2]" 2
164 1 21 PHE O 1 200 ALA N . . 3.050 2.866 2.786 2.933 . 0 0 "[ . 1 . 2]" 2
165 1 21 PHE H 1 200 ALA O . . 2.050 2.035 1.857 2.078 0.028 8 0 "[ . 1 . 2]" 2
166 1 21 PHE N 1 200 ALA O . . 3.050 2.806 2.726 2.967 . 0 0 "[ . 1 . 2]" 2
167 1 23 PHE O 1 198 LEU H . . 2.050 2.122 2.097 2.151 0.101 12 0 "[ . 1 . 2]" 2
168 1 23 PHE O 1 198 LEU N . . 3.050 3.043 3.012 3.072 0.022 12 0 "[ . 1 . 2]" 2
169 1 23 PHE H 1 198 LEU O . . 2.050 2.056 1.946 2.091 0.041 13 0 "[ . 1 . 2]" 2
170 1 23 PHE N 1 198 LEU O . . 3.050 3.016 2.919 3.045 . 0 0 "[ . 1 . 2]" 2
171 1 25 LYS O 1 196 LEU H . . 2.050 2.066 2.022 2.079 0.029 11 0 "[ . 1 . 2]" 2
172 1 25 LYS O 1 196 LEU N . . 3.050 2.970 2.879 3.029 . 0 0 "[ . 1 . 2]" 2
173 1 25 LYS H 1 196 LEU O . . 2.050 1.925 1.792 2.058 0.008 19 0 "[ . 1 . 2]" 2
174 1 25 LYS N 1 196 LEU O . . 3.050 2.795 2.717 2.904 . 0 0 "[ . 1 . 2]" 2
175 1 27 TYR O 1 194 PHE H . . 2.050 2.062 2.007 2.090 0.040 13 0 "[ . 1 . 2]" 2
176 1 27 TYR O 1 194 PHE N . . 3.050 2.993 2.893 3.039 . 0 0 "[ . 1 . 2]" 2
177 1 27 TYR H 1 194 PHE O . . 2.050 2.054 1.990 2.073 0.023 9 0 "[ . 1 . 2]" 2
178 1 27 TYR N 1 194 PHE O . . 3.050 2.765 2.709 2.850 . 0 0 "[ . 1 . 2]" 2
179 1 84 GLU O 1 88 SER H . . 3.050 3.164 3.132 3.201 0.151 7 0 "[ . 1 . 2]" 2
180 1 84 GLU O 1 88 SER N . . 3.850 3.872 3.835 3.909 0.059 7 0 "[ . 1 . 2]" 2
181 1 85 LYS O 1 89 SER H . . 3.050 2.962 2.892 3.046 . 0 0 "[ . 1 . 2]" 2
182 1 85 LYS O 1 89 SER N . . 3.850 3.904 3.854 3.976 0.126 1 0 "[ . 1 . 2]" 2
183 1 86 SER O 1 90 LEU H . . 2.550 2.609 2.553 2.656 0.106 20 0 "[ . 1 . 2]" 2
184 1 86 SER O 1 90 LEU N . . 3.550 3.505 3.433 3.567 0.017 20 0 "[ . 1 . 2]" 2
185 1 87 ILE O 1 91 GLY H . . 2.550 2.384 2.234 2.556 0.006 8 0 "[ . 1 . 2]" 2
186 1 87 ILE O 1 91 GLY N . . 3.550 3.302 3.173 3.419 . 0 0 "[ . 1 . 2]" 2
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