NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
392174 |
1ppx   |
5866 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ppx
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 1367
_Distance_constraint_stats_list.Viol_count 3210
_Distance_constraint_stats_list.Viol_total 2929.844
_Distance_constraint_stats_list.Viol_max 0.240
_Distance_constraint_stats_list.Viol_rms 0.0215
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0054
_Distance_constraint_stats_list.Viol_average_violations_only 0.0456
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 LYS 0.022 0.016 13 0 "[ . 1 . 2]"
1 3 LYS 0.211 0.032 9 0 "[ . 1 . 2]"
1 4 LEU 0.242 0.034 2 0 "[ . 1 . 2]"
1 5 GLN 5.404 0.078 4 0 "[ . 1 . 2]"
1 6 ILE 2.330 0.136 14 0 "[ . 1 . 2]"
1 7 ALA 7.043 0.193 12 0 "[ . 1 . 2]"
1 8 VAL 2.112 0.112 17 0 "[ . 1 . 2]"
1 9 GLY 1.737 0.108 6 0 "[ . 1 . 2]"
1 10 ILE 3.005 0.159 1 0 "[ . 1 . 2]"
1 11 ILE 4.287 0.213 19 0 "[ . 1 . 2]"
1 12 ARG 3.634 0.198 18 0 "[ . 1 . 2]"
1 13 ASN 4.691 0.209 3 0 "[ . 1 . 2]"
1 14 GLU 5.365 0.209 3 0 "[ . 1 . 2]"
1 15 ASN 1.729 0.140 18 0 "[ . 1 . 2]"
1 16 ASN 1.555 0.051 19 0 "[ . 1 . 2]"
1 17 GLU 0.331 0.066 7 0 "[ . 1 . 2]"
1 18 ILE 2.019 0.130 14 0 "[ . 1 . 2]"
1 19 PHE 0.250 0.027 13 0 "[ . 1 . 2]"
1 20 ILE 3.306 0.219 4 0 "[ . 1 . 2]"
1 21 THR 0.101 0.021 18 0 "[ . 1 . 2]"
1 22 ARG 0.402 0.086 1 0 "[ . 1 . 2]"
1 23 ARG 1.597 0.126 12 0 "[ . 1 . 2]"
1 24 ALA 1.667 0.126 12 0 "[ . 1 . 2]"
1 25 ALA 0.003 0.003 1 0 "[ . 1 . 2]"
1 26 ASP 0.415 0.051 12 0 "[ . 1 . 2]"
1 27 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ALA 0.015 0.009 4 0 "[ . 1 . 2]"
1 31 ASN 1.034 0.089 9 0 "[ . 1 . 2]"
1 32 LYS 3.543 0.128 17 0 "[ . 1 . 2]"
1 33 LEU 3.828 0.128 17 0 "[ . 1 . 2]"
1 34 GLU 0.882 0.044 14 0 "[ . 1 . 2]"
1 35 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 PRO 0.466 0.050 16 0 "[ . 1 . 2]"
1 37 GLY 4.288 0.187 8 0 "[ . 1 . 2]"
1 38 GLY 6.422 0.187 8 0 "[ . 1 . 2]"
1 39 LYS 2.448 0.154 20 0 "[ . 1 . 2]"
1 40 ILE 10.370 0.193 12 0 "[ . 1 . 2]"
1 41 GLU 7.161 0.186 9 0 "[ . 1 . 2]"
1 42 MET 2.301 0.148 20 0 "[ . 1 . 2]"
1 43 GLY 3.291 0.176 5 0 "[ . 1 . 2]"
1 44 GLU 4.423 0.176 5 0 "[ . 1 . 2]"
1 45 THR 2.463 0.109 13 0 "[ . 1 . 2]"
1 46 PRO 0.899 0.058 4 0 "[ . 1 . 2]"
1 47 GLU 0.092 0.015 1 0 "[ . 1 . 2]"
1 48 GLN 2.065 0.109 13 0 "[ . 1 . 2]"
1 49 ALA 0.486 0.036 13 0 "[ . 1 . 2]"
1 50 VAL 3.817 0.153 6 0 "[ . 1 . 2]"
1 51 VAL 1.825 0.066 12 0 "[ . 1 . 2]"
1 52 ARG 2.590 0.153 6 0 "[ . 1 . 2]"
1 53 GLU 0.423 0.061 9 0 "[ . 1 . 2]"
1 54 LEU 3.033 0.132 2 0 "[ . 1 . 2]"
1 55 GLN 0.663 0.044 19 0 "[ . 1 . 2]"
1 56 GLU 1.610 0.107 12 0 "[ . 1 . 2]"
1 57 GLU 2.611 0.132 2 0 "[ . 1 . 2]"
1 58 VAL 3.962 0.188 7 0 "[ . 1 . 2]"
1 59 GLY 1.333 0.194 15 0 "[ . 1 . 2]"
1 60 ILE 5.333 0.194 15 0 "[ . 1 . 2]"
1 61 THR 6.977 0.233 16 0 "[ . 1 . 2]"
1 62 PRO 3.230 0.162 10 0 "[ . 1 . 2]"
1 63 GLN 1.648 0.123 19 0 "[ . 1 . 2]"
1 64 HIS 6.939 0.188 18 0 "[ . 1 . 2]"
1 65 PHE 4.675 0.223 19 0 "[ . 1 . 2]"
1 66 SER 3.183 0.167 17 0 "[ . 1 . 2]"
1 67 LEU 0.324 0.026 19 0 "[ . 1 . 2]"
1 68 PHE 1.647 0.056 20 0 "[ . 1 . 2]"
1 69 GLU 0.083 0.024 8 0 "[ . 1 . 2]"
1 70 LYS 1.263 0.084 20 0 "[ . 1 . 2]"
1 71 LEU 0.563 0.062 11 0 "[ . 1 . 2]"
1 72 GLU 1.158 0.060 10 0 "[ . 1 . 2]"
1 73 TYR 0.061 0.026 18 0 "[ . 1 . 2]"
1 74 GLU 0.937 0.046 6 0 "[ . 1 . 2]"
1 75 PHE 1.329 0.088 10 0 "[ . 1 . 2]"
1 76 PRO 2.297 0.157 18 0 "[ . 1 . 2]"
1 77 ASP 2.029 0.157 18 0 "[ . 1 . 2]"
1 78 ARG 0.326 0.029 5 0 "[ . 1 . 2]"
1 79 HIS 0.569 0.029 18 0 "[ . 1 . 2]"
1 80 ILE 2.204 0.169 13 0 "[ . 1 . 2]"
1 81 THR 0.495 0.048 9 0 "[ . 1 . 2]"
1 82 LEU 0.745 0.044 16 0 "[ . 1 . 2]"
1 83 TRP 1.889 0.120 9 0 "[ . 1 . 2]"
1 84 PHE 3.127 0.120 9 0 "[ . 1 . 2]"
1 85 TRP 0.451 0.030 18 0 "[ . 1 . 2]"
1 86 LEU 2.360 0.096 16 0 "[ . 1 . 2]"
1 87 VAL 7.113 0.240 14 0 "[ . 1 . 2]"
1 88 GLU 7.183 0.240 14 0 "[ . 1 . 2]"
1 89 ARG 3.457 0.188 18 0 "[ . 1 . 2]"
1 90 TRP 2.272 0.178 19 0 "[ . 1 . 2]"
1 91 GLU 2.025 0.171 8 0 "[ . 1 . 2]"
1 92 GLY 0.009 0.009 10 0 "[ . 1 . 2]"
1 93 GLU 0.167 0.045 10 0 "[ . 1 . 2]"
1 94 PRO 1.495 0.114 17 0 "[ . 1 . 2]"
1 95 TRP 7.496 0.188 7 0 "[ . 1 . 2]"
1 96 GLY 0.061 0.012 12 0 "[ . 1 . 2]"
1 97 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 GLU 1.373 0.089 12 0 "[ . 1 . 2]"
1 99 GLY 0.086 0.070 9 0 "[ . 1 . 2]"
1 100 GLN 2.372 0.150 7 0 "[ . 1 . 2]"
1 101 PRO 2.423 0.150 7 0 "[ . 1 . 2]"
1 102 GLY 0.086 0.021 18 0 "[ . 1 . 2]"
1 103 GLU 0.048 0.023 15 0 "[ . 1 . 2]"
1 104 TRP 1.961 0.148 18 0 "[ . 1 . 2]"
1 105 MET 0.438 0.043 9 0 "[ . 1 . 2]"
1 106 SER 0.202 0.043 9 0 "[ . 1 . 2]"
1 107 LEU 0.555 0.066 7 0 "[ . 1 . 2]"
1 108 VAL 0.048 0.014 5 0 "[ . 1 . 2]"
1 109 GLY 0.869 0.063 5 0 "[ . 1 . 2]"
1 110 LEU 1.346 0.067 20 0 "[ . 1 . 2]"
1 111 ASN 2.710 0.120 1 0 "[ . 1 . 2]"
1 112 ALA 2.252 0.135 20 0 "[ . 1 . 2]"
1 113 ASP 0.077 0.045 14 0 "[ . 1 . 2]"
1 114 ASP 2.085 0.081 20 0 "[ . 1 . 2]"
1 115 PHE 4.947 0.120 1 0 "[ . 1 . 2]"
1 117 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 ALA 0.375 0.068 2 0 "[ . 1 . 2]"
1 119 ASN 1.668 0.070 1 0 "[ . 1 . 2]"
1 120 GLU 1.483 0.135 20 0 "[ . 1 . 2]"
1 121 PRO 0.672 0.059 16 0 "[ . 1 . 2]"
1 122 VAL 2.638 0.081 18 0 "[ . 1 . 2]"
1 123 ILE 3.832 0.092 17 0 "[ . 1 . 2]"
1 124 ALA 0.073 0.019 11 0 "[ . 1 . 2]"
1 125 LYS 1.741 0.081 18 0 "[ . 1 . 2]"
1 126 LEU 0.676 0.054 11 0 "[ . 1 . 2]"
1 127 LYS 4.236 0.164 18 0 "[ . 1 . 2]"
1 128 ARG 0.721 0.130 17 0 "[ . 1 . 2]"
1 129 LEU 4.626 0.164 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 3 LYS HA 1 4 LEU H 1.800 . 2.800 2.188 2.131 2.248 . 0 0 "[ . 1 . 2]" 1
2 1 4 LEU HA 1 5 GLN H 1.800 . 2.800 2.151 2.129 2.202 . 0 0 "[ . 1 . 2]" 1
3 1 5 GLN HA 1 6 ILE H 1.800 . 2.800 2.271 2.231 2.357 . 0 0 "[ . 1 . 2]" 1
4 1 6 ILE HA 1 7 ALA H 1.800 . 2.800 2.189 2.177 2.217 . 0 0 "[ . 1 . 2]" 1
5 1 7 ALA HA 1 8 VAL H 1.800 . 2.800 2.199 2.155 2.400 . 0 0 "[ . 1 . 2]" 1
6 1 8 VAL HA 1 9 GLY H 1.800 . 2.800 2.332 2.252 2.379 . 0 0 "[ . 1 . 2]" 1
7 1 9 GLY HA3 1 10 ILE H 1.800 . 3.300 3.293 3.088 3.376 0.076 10 0 "[ . 1 . 2]" 1
8 1 9 GLY HA2 1 10 ILE H 1.800 . 3.300 2.152 2.140 2.190 . 0 0 "[ . 1 . 2]" 1
9 1 10 ILE HA 1 11 ILE H 1.800 . 2.800 2.180 2.150 2.233 . 0 0 "[ . 1 . 2]" 1
10 1 11 ILE HA 1 12 ARG H 1.800 . 2.800 2.110 2.073 2.159 . 0 0 "[ . 1 . 2]" 1
11 1 12 ARG HA 1 13 ASN H 1.800 . 2.800 2.147 2.076 2.372 . 0 0 "[ . 1 . 2]" 1
12 1 17 GLU HA 1 18 ILE H 1.800 . 2.800 2.382 2.244 2.433 . 0 0 "[ . 1 . 2]" 1
13 1 18 ILE HA 1 19 PHE H 1.800 . 2.800 2.186 2.124 2.243 . 0 0 "[ . 1 . 2]" 1
14 1 19 PHE HA 1 20 ILE H 1.800 . 2.800 2.206 2.124 2.296 . 0 0 "[ . 1 . 2]" 1
15 1 20 ILE HA 1 21 THR H 1.800 . 2.800 2.372 2.209 2.419 . 0 0 "[ . 1 . 2]" 1
16 1 21 THR HA 1 22 ARG H 1.800 . 5.000 2.162 2.144 2.224 . 0 0 "[ . 1 . 2]" 1
17 1 22 ARG HA 1 23 ARG H 1.800 . 3.800 2.219 2.133 2.487 . 0 0 "[ . 1 . 2]" 1
18 1 69 GLU HA 1 70 LYS H 1.800 . 2.800 2.312 2.174 2.447 . 0 0 "[ . 1 . 2]" 1
19 1 70 LYS HA 1 71 LEU H 1.800 . 2.800 2.171 2.152 2.195 . 0 0 "[ . 1 . 2]" 1
20 1 71 LEU HA 1 72 GLU H 1.800 . 2.800 2.210 2.140 2.387 . 0 0 "[ . 1 . 2]" 1
21 1 72 GLU HA 1 73 TYR H 1.800 . 2.800 2.147 2.140 2.155 . 0 0 "[ . 1 . 2]" 1
22 1 73 TYR HA 1 74 GLU H 1.800 . 2.800 2.274 2.165 2.317 . 0 0 "[ . 1 . 2]" 1
23 1 74 GLU HA 1 75 PHE H 1.800 . 2.800 2.135 2.104 2.170 . 0 0 "[ . 1 . 2]" 1
24 1 78 ARG HA 1 79 HIS H 1.800 . 2.800 2.253 2.193 2.290 . 0 0 "[ . 1 . 2]" 1
25 1 79 HIS HA 1 80 ILE H 1.800 . 2.800 2.190 2.150 2.237 . 0 0 "[ . 1 . 2]" 1
26 1 80 ILE HA 1 81 THR H 1.800 . 2.800 2.158 2.141 2.317 . 0 0 "[ . 1 . 2]" 1
27 1 81 THR HA 1 82 LEU H 1.800 . 2.800 2.177 2.154 2.193 . 0 0 "[ . 1 . 2]" 1
28 1 82 LEU HA 1 83 TRP H 1.800 . 2.800 2.148 2.126 2.165 . 0 0 "[ . 1 . 2]" 1
29 1 83 TRP HA 1 84 PHE H 1.800 . 2.800 2.165 2.128 2.195 . 0 0 "[ . 1 . 2]" 1
30 1 84 PHE HA 1 85 TRP H 1.800 . 2.800 2.142 2.124 2.161 . 0 0 "[ . 1 . 2]" 1
31 1 85 TRP HA 1 86 LEU H 1.800 . 2.800 2.288 2.241 2.306 . 0 0 "[ . 1 . 2]" 1
32 1 86 LEU HA 1 87 VAL H 1.800 . 2.800 2.134 2.114 2.156 . 0 0 "[ . 1 . 2]" 1
33 1 87 VAL HA 1 88 GLU H 1.800 . 2.800 2.271 2.254 2.301 . 0 0 "[ . 1 . 2]" 1
34 1 103 GLU HA 1 104 TRP H 1.800 . 2.800 2.367 2.341 2.380 . 0 0 "[ . 1 . 2]" 1
35 1 104 TRP HA 1 105 MET H 1.800 . 2.800 2.156 2.146 2.166 . 0 0 "[ . 1 . 2]" 1
36 1 105 MET HA 1 106 SER H 1.800 . 3.300 2.348 2.206 2.412 . 0 0 "[ . 1 . 2]" 1
37 1 106 SER HA 1 107 LEU H 1.800 . 2.800 2.146 2.137 2.169 . 0 0 "[ . 1 . 2]" 1
38 1 47 GLU H 1 48 GLN H 1.800 . 2.800 2.405 2.186 2.620 . 0 0 "[ . 1 . 2]" 1
39 1 48 GLN H 1 49 ALA H 1.800 . 2.800 2.514 2.438 2.590 . 0 0 "[ . 1 . 2]" 1
40 1 49 ALA H 1 50 VAL H 1.800 . 2.800 2.816 2.800 2.836 0.036 13 0 "[ . 1 . 2]" 1
41 1 50 VAL H 1 51 VAL H 1.800 . 2.800 2.502 2.476 2.541 . 0 0 "[ . 1 . 2]" 1
42 1 51 VAL H 1 52 ARG H 1.800 . 2.800 2.775 2.672 2.832 0.032 13 0 "[ . 1 . 2]" 1
43 1 52 ARG H 1 53 GLU H 1.800 . 2.800 2.556 2.395 2.639 . 0 0 "[ . 1 . 2]" 1
44 1 53 GLU H 1 54 LEU H 1.800 . 2.800 2.563 2.430 2.618 . 0 0 "[ . 1 . 2]" 1
45 1 54 LEU H 1 55 GLN H 1.800 . 2.800 2.780 2.710 2.823 0.023 19 0 "[ . 1 . 2]" 1
46 1 55 GLN H 1 56 GLU H 1.800 . 2.800 2.542 2.448 2.608 . 0 0 "[ . 1 . 2]" 1
47 1 56 GLU H 1 57 GLU H 1.800 . 2.800 2.461 2.441 2.519 . 0 0 "[ . 1 . 2]" 1
48 1 57 GLU H 1 58 VAL H 1.800 . 2.800 2.337 2.253 2.419 . 0 0 "[ . 1 . 2]" 1
49 1 58 VAL H 1 59 GLY H 1.800 . 2.800 1.902 1.870 1.946 . 0 0 "[ . 1 . 2]" 1
50 1 59 GLY H 1 60 ILE H 1.800 . 3.300 3.050 2.871 3.352 0.052 15 0 "[ . 1 . 2]" 1
51 1 47 GLU H 1 49 ALA H 1.800 . 5.000 3.419 3.358 3.504 . 0 0 "[ . 1 . 2]" 1
52 1 49 ALA H 1 51 VAL H 1.800 . 5.000 4.054 3.849 4.290 . 0 0 "[ . 1 . 2]" 1
53 1 51 VAL H 1 53 GLU H 1.800 . 5.000 4.413 4.077 4.575 . 0 0 "[ . 1 . 2]" 1
54 1 52 ARG H 1 54 LEU H 1.800 . 5.000 3.653 3.580 3.769 . 0 0 "[ . 1 . 2]" 1
55 1 53 GLU H 1 55 GLN H 1.800 . 5.000 4.528 4.422 4.593 . 0 0 "[ . 1 . 2]" 1
56 1 55 GLN H 1 57 GLU H 1.800 . 5.000 3.985 3.864 4.071 . 0 0 "[ . 1 . 2]" 1
57 1 56 GLU H 1 58 VAL H 1.800 . 5.000 3.876 3.795 3.952 . 0 0 "[ . 1 . 2]" 1
58 1 57 GLU H 1 59 GLY H 1.800 . 5.000 3.830 3.685 3.950 . 0 0 "[ . 1 . 2]" 1
59 1 58 VAL H 1 60 ILE H 1.800 . 5.000 4.457 4.334 4.675 . 0 0 "[ . 1 . 2]" 1
60 1 50 VAL H 1 53 GLU H 1.800 . 5.000 4.783 4.379 5.003 0.003 13 0 "[ . 1 . 2]" 1
61 1 51 VAL H 1 54 LEU H 1.800 . 5.000 4.604 4.523 4.667 . 0 0 "[ . 1 . 2]" 1
62 1 53 GLU H 1 56 GLU H 1.800 . 5.000 5.015 4.927 5.061 0.061 9 0 "[ . 1 . 2]" 1
63 1 55 GLN H 1 58 VAL H 1.800 . 5.000 4.834 4.754 5.008 0.008 13 0 "[ . 1 . 2]" 1
64 1 47 GLU HA 1 48 GLN H 1.800 . 5.000 3.583 3.550 3.600 . 0 0 "[ . 1 . 2]" 1
65 1 48 GLN HA 1 49 ALA H 1.800 . 5.000 3.372 3.311 3.470 . 0 0 "[ . 1 . 2]" 1
66 1 50 VAL HA 1 51 VAL H 1.800 . 5.000 3.543 3.531 3.563 . 0 0 "[ . 1 . 2]" 1
67 1 51 VAL HA 1 52 ARG H 1.800 . 5.000 3.516 3.505 3.530 . 0 0 "[ . 1 . 2]" 1
68 1 52 ARG HA 1 53 GLU H 1.800 . 5.000 3.548 3.495 3.565 . 0 0 "[ . 1 . 2]" 1
69 1 57 GLU HA 1 58 VAL H 1.800 . 5.000 3.204 3.174 3.253 . 0 0 "[ . 1 . 2]" 1
70 1 47 GLU HA 1 49 ALA H 1.800 . 5.000 4.098 3.874 4.442 . 0 0 "[ . 1 . 2]" 1
71 1 48 GLN HA 1 50 VAL H 1.800 . 5.000 4.442 4.294 4.638 . 0 0 "[ . 1 . 2]" 1
72 1 49 ALA HA 1 51 VAL H 1.800 . 5.000 4.887 4.733 5.012 0.012 20 0 "[ . 1 . 2]" 1
73 1 50 VAL HA 1 52 ARG H 1.800 . 5.000 4.121 3.909 4.316 . 0 0 "[ . 1 . 2]" 1
74 1 51 VAL HA 1 53 GLU H 1.800 . 5.000 4.858 4.387 5.010 0.010 16 0 "[ . 1 . 2]" 1
75 1 53 GLU HA 1 55 GLN H 1.800 . 5.000 4.150 4.018 4.262 . 0 0 "[ . 1 . 2]" 1
76 1 56 GLU HA 1 58 VAL H 1.800 . 5.000 4.023 3.912 4.123 . 0 0 "[ . 1 . 2]" 1
77 1 47 GLU HA 1 51 VAL H 1.800 . 5.000 4.749 4.491 4.959 . 0 0 "[ . 1 . 2]" 1
78 1 49 ALA HA 1 52 ARG H 1.800 . 5.000 4.132 3.940 4.274 . 0 0 "[ . 1 . 2]" 1
79 1 50 VAL HA 1 53 GLU H 1.800 . 5.000 3.372 2.869 3.642 . 0 0 "[ . 1 . 2]" 1
80 1 52 ARG HA 1 55 GLN H 1.800 . 5.000 3.908 3.742 4.030 . 0 0 "[ . 1 . 2]" 1
81 1 50 VAL HA 1 54 LEU H 1.800 . 5.000 3.745 3.577 3.891 . 0 0 "[ . 1 . 2]" 1
82 1 51 VAL HA 1 55 GLN H 1.800 . 5.000 4.922 4.525 5.042 0.042 5 0 "[ . 1 . 2]" 1
83 1 53 GLU HA 1 57 GLU H 1.800 . 5.000 4.410 4.075 4.705 . 0 0 "[ . 1 . 2]" 1
84 1 48 GLN HA 1 51 VAL HB 1.800 . 3.300 2.222 2.161 2.262 . 0 0 "[ . 1 . 2]" 1
85 1 49 ALA HA 1 52 ARG QB 1.800 . 3.800 3.515 3.048 3.784 . 0 0 "[ . 1 . 2]" 1
86 1 50 VAL HA 1 53 GLU QB 1.800 . 3.800 2.715 2.078 3.168 . 0 0 "[ . 1 . 2]" 1
87 1 51 VAL HA 1 54 LEU QB 1.800 . 3.800 2.505 2.332 2.638 . 0 0 "[ . 1 . 2]" 1
88 1 52 ARG HA 1 55 GLN QB 1.800 . 3.800 3.772 3.607 3.839 0.039 16 0 "[ . 1 . 2]" 1
89 1 53 GLU HA 1 56 GLU HB3 1.800 . 3.300 3.047 2.648 3.246 . 0 0 "[ . 1 . 2]" 1
90 1 53 GLU HA 1 56 GLU HB2 1.800 . 3.300 2.587 2.398 2.994 . 0 0 "[ . 1 . 2]" 1
91 1 54 LEU HA 1 57 GLU QB 1.800 . 3.800 3.034 2.567 3.468 . 0 0 "[ . 1 . 2]" 1
92 1 55 GLN HA 1 58 VAL HB 1.800 . 3.300 3.196 2.868 3.344 0.044 19 0 "[ . 1 . 2]" 1
93 1 122 VAL H 1 123 ILE H 1.800 . 2.800 2.549 2.503 2.592 . 0 0 "[ . 1 . 2]" 1
94 1 123 ILE H 1 124 ALA H 1.800 . 2.800 2.590 2.530 2.628 . 0 0 "[ . 1 . 2]" 1
95 1 124 ALA H 1 125 LYS H 1.800 . 2.800 2.692 2.658 2.716 . 0 0 "[ . 1 . 2]" 1
96 1 125 LYS H 1 126 LEU H 1.800 . 2.800 2.613 2.516 2.709 . 0 0 "[ . 1 . 2]" 1
97 1 126 LEU H 1 127 LYS H 1.800 . 2.800 2.442 2.414 2.483 . 0 0 "[ . 1 . 2]" 1
98 1 127 LYS H 1 128 ARG H 1.800 . 2.800 2.696 2.419 2.805 0.005 13 0 "[ . 1 . 2]" 1
99 1 128 ARG H 1 129 LEU H 1.800 . 3.800 2.548 2.523 2.613 . 0 0 "[ . 1 . 2]" 1
100 1 122 VAL H 1 124 ALA H 1.800 . 5.000 3.700 3.651 3.786 . 0 0 "[ . 1 . 2]" 1
101 1 123 ILE H 1 125 LYS H 1.800 . 5.000 4.202 4.156 4.272 . 0 0 "[ . 1 . 2]" 1
102 1 126 LEU H 1 128 ARG H 1.800 . 5.000 4.299 4.197 4.359 . 0 0 "[ . 1 . 2]" 1
103 1 127 LYS H 1 129 LEU H 1.800 . 5.000 3.762 3.600 3.851 . 0 0 "[ . 1 . 2]" 1
104 1 122 VAL H 1 125 LYS H 1.800 . 5.000 5.065 5.053 5.081 0.081 18 0 "[ . 1 . 2]" 1
105 1 125 LYS H 1 128 ARG H 1.800 . 5.000 4.897 4.585 5.013 0.013 7 0 "[ . 1 . 2]" 1
106 1 126 LEU H 1 129 LEU H 1.800 . 5.000 5.027 5.007 5.054 0.054 11 0 "[ . 1 . 2]" 1
107 1 122 VAL HA 1 123 ILE H 1.800 . 5.000 3.553 3.544 3.562 . 0 0 "[ . 1 . 2]" 1
108 1 123 ILE HA 1 124 ALA H 1.800 . 5.000 3.494 3.485 3.509 . 0 0 "[ . 1 . 2]" 1
109 1 128 ARG HA 1 129 LEU H 1.800 . 5.000 3.326 3.287 3.362 . 0 0 "[ . 1 . 2]" 1
110 1 120 GLU HA 1 122 VAL H 1.800 . 5.000 4.165 3.989 4.300 . 0 0 "[ . 1 . 2]" 1
111 1 122 VAL HA 1 124 ALA H 1.800 . 5.000 4.261 4.176 4.368 . 0 0 "[ . 1 . 2]" 1
112 1 123 ILE HA 1 125 LYS H 1.800 . 5.000 3.770 3.692 3.898 . 0 0 "[ . 1 . 2]" 1
113 1 125 LYS HA 1 127 LYS H 1.800 . 5.000 4.419 4.158 4.765 . 0 0 "[ . 1 . 2]" 1
114 1 127 LYS HA 1 129 LEU H 1.800 . 5.000 3.552 3.500 3.616 . 0 0 "[ . 1 . 2]" 1
115 1 120 GLU HA 1 123 ILE H 1.800 . 5.000 3.406 3.225 3.511 . 0 0 "[ . 1 . 2]" 1
116 1 121 PRO HA 1 124 ALA H 1.800 . 5.000 3.878 3.738 4.010 . 0 0 "[ . 1 . 2]" 1
117 1 122 VAL HA 1 125 LYS H 1.800 . 5.000 3.862 3.749 3.968 . 0 0 "[ . 1 . 2]" 1
118 1 123 ILE HA 1 126 LEU H 1.800 . 5.000 3.181 3.072 3.284 . 0 0 "[ . 1 . 2]" 1
119 1 124 ALA HA 1 127 LYS H 1.800 . 5.000 3.690 3.450 3.939 . 0 0 "[ . 1 . 2]" 1
120 1 126 LEU HA 1 129 LEU H 1.800 . 5.000 3.378 3.314 3.595 . 0 0 "[ . 1 . 2]" 1
121 1 121 PRO HA 1 125 LYS H 1.800 . 5.000 5.016 4.970 5.034 0.034 7 0 "[ . 1 . 2]" 1
122 1 121 PRO HA 1 124 ALA MB 1.800 . 3.800 2.697 2.505 2.885 . 0 0 "[ . 1 . 2]" 1
123 1 122 VAL HA 1 125 LYS QB 1.800 . 3.800 3.500 3.338 3.804 0.004 7 0 "[ . 1 . 2]" 1
124 1 123 ILE HA 1 126 LEU QB 1.800 . 3.800 3.107 2.787 3.420 . 0 0 "[ . 1 . 2]" 1
125 1 124 ALA HA 1 127 LYS QB 1.800 . 3.800 2.471 2.260 2.587 . 0 0 "[ . 1 . 2]" 1
126 1 125 LYS HA 1 128 ARG QB 1.800 . 3.800 3.721 3.288 3.810 0.010 1 0 "[ . 1 . 2]" 1
127 1 2 LYS H 1 2 LYS QG 1.800 . 5.500 3.761 1.982 4.164 . 0 0 "[ . 1 . 2]" 1
128 1 2 LYS HA 1 2 LYS QG 1.800 . 5.500 2.340 2.062 3.345 . 0 0 "[ . 1 . 2]" 1
129 1 1 MET HA 1 2 LYS H 1.800 . 3.300 2.481 2.148 2.980 . 0 0 "[ . 1 . 2]" 1
130 1 3 LYS H 1 3 LYS QG 1.800 . 5.500 2.352 1.981 4.159 . 0 0 "[ . 1 . 2]" 1
131 1 3 LYS HA 1 3 LYS QG 1.800 . 5.500 3.230 2.363 3.445 . 0 0 "[ . 1 . 2]" 1
132 1 3 LYS HA 1 3 LYS QE 1.800 . 5.000 4.658 3.919 5.000 . 0 0 "[ . 1 . 2]" 1
133 1 2 LYS HA 1 3 LYS H 1.800 . 3.300 2.167 2.143 2.183 . 0 0 "[ . 1 . 2]" 1
134 1 2 LYS QB 1 3 LYS HA 1.800 . 5.500 4.396 4.017 4.765 . 0 0 "[ . 1 . 2]" 1
135 1 2 LYS QG 1 3 LYS HA 1.800 . 5.500 4.900 4.192 5.516 0.016 13 0 "[ . 1 . 2]" 1
136 1 4 LEU H 1 4 LEU HG 1.800 . 3.300 2.313 1.965 2.462 . 0 0 "[ . 1 . 2]" 1
137 1 4 LEU H 1 4 LEU QB 1.800 . 5.500 3.018 2.704 3.217 . 0 0 "[ . 1 . 2]" 1
138 1 4 LEU H 1 4 LEU MD2 1.800 . 3.800 3.471 3.088 3.759 . 0 0 "[ . 1 . 2]" 1
139 1 3 LYS QG 1 4 LEU H 1.800 . 5.500 4.011 2.284 4.523 . 0 0 "[ . 1 . 2]" 1
140 1 3 LYS HB3 1 4 LEU H 1.800 . 5.000 4.036 3.194 4.307 . 0 0 "[ . 1 . 2]" 1
141 1 3 LYS HB2 1 4 LEU H 1.800 . 5.000 3.263 2.851 4.202 . 0 0 "[ . 1 . 2]" 1
142 1 3 LYS HA 1 4 LEU QD 1.800 . 7.000 4.137 3.733 4.325 . 0 0 "[ . 1 . 2]" 1
143 1 5 GLN H 1 5 GLN HG3 1.800 . 3.300 2.409 2.012 2.683 . 0 0 "[ . 1 . 2]" 1
144 1 5 GLN H 1 5 GLN HG2 1.800 . 3.300 3.341 3.309 3.362 0.062 2 0 "[ . 1 . 2]" 1
145 1 5 GLN HA 1 5 GLN HG3 1.800 . 3.300 3.336 3.296 3.371 0.071 20 0 "[ . 1 . 2]" 1
146 1 5 GLN HA 1 5 GLN HG2 1.800 . 3.300 2.599 2.409 2.952 . 0 0 "[ . 1 . 2]" 1
147 1 4 LEU MD1 1 5 GLN H 1.800 . 3.800 3.730 3.421 3.834 0.034 2 0 "[ . 1 . 2]" 1
148 1 4 LEU QB 1 5 GLN H 1.800 . 3.800 3.194 2.921 3.359 . 0 0 "[ . 1 . 2]" 1
149 1 6 ILE H 1 6 ILE QG 1.800 . 5.500 3.109 2.292 3.586 . 0 0 "[ . 1 . 2]" 1
150 1 6 ILE H 1 6 ILE MG 1.800 . 3.800 3.843 3.410 3.936 0.136 14 0 "[ . 1 . 2]" 1
151 1 6 ILE H 1 6 ILE MD 1.800 . 6.000 3.590 2.195 4.326 . 0 0 "[ . 1 . 2]" 1
152 1 6 ILE HA 1 6 ILE MG 1.800 . 6.000 2.361 2.116 2.442 . 0 0 "[ . 1 . 2]" 1
153 1 6 ILE HA 1 6 ILE MD 1.800 . 6.000 3.197 1.949 4.169 . 0 0 "[ . 1 . 2]" 1
154 1 5 GLN HB2 1 6 ILE H 1.800 . 3.800 3.610 3.356 3.719 . 0 0 "[ . 1 . 2]" 1
155 1 5 GLN HG3 1 6 ILE H 1.800 . 5.000 5.032 4.989 5.053 0.053 1 0 "[ . 1 . 2]" 1
156 1 5 GLN HG2 1 6 ILE H 1.800 . 5.000 4.367 4.171 4.707 . 0 0 "[ . 1 . 2]" 1
157 1 7 ALA H 1 7 ALA MB 1.800 . 3.800 2.417 2.394 2.467 . 0 0 "[ . 1 . 2]" 1
158 1 6 ILE HB 1 7 ALA H 1.800 . 5.000 4.044 3.133 4.317 . 0 0 "[ . 1 . 2]" 1
159 1 6 ILE MD 1 7 ALA H 1.800 . 4.300 2.585 2.041 3.571 . 0 0 "[ . 1 . 2]" 1
160 1 8 VAL H 1 8 VAL MG1 1.800 . 3.800 2.252 1.930 2.508 . 0 0 "[ . 1 . 2]" 1
161 1 8 VAL H 1 8 VAL MG2 1.800 . 6.000 3.055 2.754 3.505 . 0 0 "[ . 1 . 2]" 1
162 1 8 VAL HA 1 8 VAL MG1 1.800 . 6.000 2.831 2.656 3.062 . 0 0 "[ . 1 . 2]" 1
163 1 8 VAL HA 1 8 VAL MG2 1.800 . 6.000 3.009 2.792 3.114 . 0 0 "[ . 1 . 2]" 1
164 1 7 ALA MB 1 8 VAL H 1.800 . 4.300 3.068 2.537 3.204 . 0 0 "[ . 1 . 2]" 1
165 1 7 ALA HA 1 8 VAL MG1 1.800 . 6.000 3.206 3.013 3.347 . 0 0 "[ . 1 . 2]" 1
166 1 7 ALA HA 1 8 VAL MG2 1.800 . 6.000 4.827 4.523 5.244 . 0 0 "[ . 1 . 2]" 1
167 1 8 VAL MG2 1 9 GLY H 1.800 . 3.800 2.337 1.967 2.590 . 0 0 "[ . 1 . 2]" 1
168 1 8 VAL MG1 1 9 GLY H 1.800 . 6.000 4.084 4.015 4.222 . 0 0 "[ . 1 . 2]" 1
169 1 8 VAL HB 1 9 GLY H 1.800 . 3.300 2.881 2.628 3.327 0.027 7 0 "[ . 1 . 2]" 1
170 1 8 VAL MG2 1 9 GLY HA3 1.800 . 3.800 3.854 3.765 3.908 0.108 6 0 "[ . 1 . 2]" 1
171 1 10 ILE H 1 10 ILE HB 1.800 . 3.300 3.125 2.124 3.459 0.159 1 0 "[ . 1 . 2]" 1
172 1 10 ILE H 1 10 ILE QG 1.800 . 5.500 2.030 1.770 3.657 0.030 10 0 "[ . 1 . 2]" 1
173 1 10 ILE H 1 10 ILE MG 1.800 . 3.800 3.476 3.059 3.756 . 0 0 "[ . 1 . 2]" 1
174 1 10 ILE H 1 10 ILE MD 1.800 . 6.000 2.893 1.932 3.662 . 0 0 "[ . 1 . 2]" 1
175 1 11 ILE H 1 11 ILE HB 1.800 . 3.300 2.991 2.551 3.513 0.213 19 0 "[ . 1 . 2]" 1
176 1 11 ILE H 1 11 ILE MG 1.800 . 3.800 3.554 1.931 3.741 . 0 0 "[ . 1 . 2]" 1
177 1 11 ILE H 1 11 ILE MD 1.800 . 6.000 3.497 2.123 4.288 . 0 0 "[ . 1 . 2]" 1
178 1 10 ILE MD 1 11 ILE H 1.800 . 6.000 5.188 4.284 5.610 . 0 0 "[ . 1 . 2]" 1
179 1 11 ILE HA 1 11 ILE MG 1.800 . 6.000 2.202 2.082 3.184 . 0 0 "[ . 1 . 2]" 1
180 1 11 ILE HA 1 11 ILE MD 1.800 . 5.300 3.742 3.203 4.139 . 0 0 "[ . 1 . 2]" 1
181 1 12 ARG H 1 12 ARG HG3 1.800 . 3.800 3.747 2.482 3.876 0.076 7 0 "[ . 1 . 2]" 1
182 1 12 ARG H 1 12 ARG HG2 1.800 . 3.800 3.690 2.982 3.877 0.077 2 0 "[ . 1 . 2]" 1
183 1 12 ARG H 1 12 ARG QD 1.800 . 5.500 4.666 4.212 4.851 . 0 0 "[ . 1 . 2]" 1
184 1 12 ARG HA 1 12 ARG QG 1.800 . 5.500 2.260 1.999 3.360 . 0 0 "[ . 1 . 2]" 1
185 1 11 ILE MD 1 12 ARG H 1.800 . 5.000 5.070 4.405 5.198 0.198 18 0 "[ . 1 . 2]" 1
186 1 12 ARG HA 1 18 ILE MG 1.800 . 4.300 4.057 3.488 4.400 0.100 19 0 "[ . 1 . 2]" 1
187 1 13 ASN HA 1 13 ASN HB3 1.800 . 2.800 2.602 2.220 2.981 0.181 17 0 "[ . 1 . 2]" 1
188 1 13 ASN HA 1 13 ASN HB2 1.800 . 2.800 2.584 2.318 2.905 0.105 7 0 "[ . 1 . 2]" 1
189 1 12 ARG QB 1 13 ASN H 1.800 . 5.500 3.286 2.942 3.520 . 0 0 "[ . 1 . 2]" 1
190 1 14 GLU H 1 14 GLU QG 1.800 . 5.500 3.944 3.902 4.036 . 0 0 "[ . 1 . 2]" 1
191 1 14 GLU HA 1 14 GLU QG 1.800 . 3.300 2.680 2.407 3.170 . 0 0 "[ . 1 . 2]" 1
192 1 13 ASN HA 1 14 GLU H 1.800 . 3.300 2.607 2.463 2.675 . 0 0 "[ . 1 . 2]" 1
193 1 13 ASN HB3 1 14 GLU H 1.800 . 3.300 2.928 2.306 3.461 0.161 9 0 "[ . 1 . 2]" 1
194 1 13 ASN HB2 1 14 GLU H 1.800 . 3.300 2.545 1.785 3.509 0.209 3 0 "[ . 1 . 2]" 1
195 1 13 ASN H 1 14 GLU H 1.800 . 5.000 4.413 4.350 4.502 . 0 0 "[ . 1 . 2]" 1
196 1 15 ASN H 1 15 ASN HB3 1.800 . 2.800 2.750 2.604 2.843 0.043 9 0 "[ . 1 . 2]" 1
197 1 15 ASN H 1 15 ASN HB2 1.800 . 3.300 3.048 2.488 3.256 . 0 0 "[ . 1 . 2]" 1
198 1 15 ASN HA 1 15 ASN HB2 1.800 . 2.800 2.490 2.429 2.617 . 0 0 "[ . 1 . 2]" 1
199 1 14 GLU HA 1 15 ASN H 1.800 . 3.300 3.321 3.099 3.440 0.140 18 0 "[ . 1 . 2]" 1
200 1 14 GLU HB3 1 15 ASN H 1.800 . 5.000 3.454 2.839 3.926 . 0 0 "[ . 1 . 2]" 1
201 1 14 GLU HB2 1 15 ASN H 1.800 . 5.000 4.383 4.037 4.559 . 0 0 "[ . 1 . 2]" 1
202 1 14 GLU H 1 15 ASN H 1.800 . 2.800 2.748 2.587 2.871 0.071 18 0 "[ . 1 . 2]" 1
203 1 13 ASN HB3 1 15 ASN H 1.800 . 5.500 3.461 2.101 4.476 . 0 0 "[ . 1 . 2]" 1
204 1 13 ASN HB2 1 15 ASN H 1.800 . 5.500 3.384 2.255 4.235 . 0 0 "[ . 1 . 2]" 1
205 1 16 ASN HA 1 16 ASN HB3 1.800 . 2.800 2.615 2.234 2.841 0.041 7 0 "[ . 1 . 2]" 1
206 1 16 ASN HA 1 16 ASN HB2 1.800 . 2.800 2.608 2.369 2.850 0.050 20 0 "[ . 1 . 2]" 1
207 1 15 ASN HA 1 16 ASN H 1.800 . 5.000 2.949 2.663 3.537 . 0 0 "[ . 1 . 2]" 1
208 1 15 ASN HB3 1 16 ASN H 1.800 . 5.000 3.757 1.904 4.344 . 0 0 "[ . 1 . 2]" 1
209 1 15 ASN HB2 1 16 ASN H 1.800 . 5.000 4.378 3.465 4.667 . 0 0 "[ . 1 . 2]" 1
210 1 15 ASN H 1 16 ASN H 1.800 . 2.800 2.758 2.201 2.851 0.051 19 0 "[ . 1 . 2]" 1
211 1 14 GLU QB 1 16 ASN H 1.800 . 5.500 5.246 4.624 5.531 0.031 17 0 "[ . 1 . 2]" 1
212 1 17 GLU H 1 17 GLU QG 1.800 . 3.800 2.347 1.849 3.415 . 0 0 "[ . 1 . 2]" 1
213 1 17 GLU HA 1 17 GLU QG 1.800 . 5.500 2.922 2.239 3.415 . 0 0 "[ . 1 . 2]" 1
214 1 16 ASN H 1 17 GLU H 1.800 . 5.000 2.595 1.800 2.853 . 0 0 "[ . 1 . 2]" 1
215 1 16 ASN HA 1 17 GLU H 1.800 . 3.300 3.035 2.904 3.230 . 0 0 "[ . 1 . 2]" 1
216 1 16 ASN HB3 1 17 GLU H 1.800 . 5.000 4.333 3.897 4.667 . 0 0 "[ . 1 . 2]" 1
217 1 16 ASN HB2 1 17 GLU H 1.800 . 5.000 4.313 3.949 4.540 . 0 0 "[ . 1 . 2]" 1
218 1 16 ASN H 1 17 GLU QG 1.800 . 5.500 3.958 2.488 5.236 . 0 0 "[ . 1 . 2]" 1
219 1 15 ASN H 1 17 GLU QB 1.800 . 5.500 4.448 3.572 5.400 . 0 0 "[ . 1 . 2]" 1
220 1 15 ASN H 1 17 GLU QG 1.800 . 5.500 3.612 2.424 5.502 0.002 19 0 "[ . 1 . 2]" 1
221 1 15 ASN HB3 1 17 GLU H 1.800 . 5.500 3.396 3.058 3.671 . 0 0 "[ . 1 . 2]" 1
222 1 15 ASN HB2 1 17 GLU H 1.800 . 5.500 4.778 4.390 4.951 . 0 0 "[ . 1 . 2]" 1
223 1 18 ILE H 1 18 ILE HB 1.800 . 3.300 2.831 2.429 3.374 0.074 4 0 "[ . 1 . 2]" 1
224 1 18 ILE H 1 18 ILE QG 1.800 . 5.500 3.862 3.191 4.234 . 0 0 "[ . 1 . 2]" 1
225 1 18 ILE H 1 18 ILE MG 1.800 . 6.000 2.818 1.860 3.829 . 0 0 "[ . 1 . 2]" 1
226 1 18 ILE H 1 18 ILE MD 1.800 . 4.300 3.689 2.295 4.327 0.027 4 0 "[ . 1 . 2]" 1
227 1 18 ILE HA 1 18 ILE QG 1.800 . 3.800 2.347 1.936 3.296 . 0 0 "[ . 1 . 2]" 1
228 1 18 ILE HA 1 18 ILE MG 1.800 . 3.800 2.912 2.454 3.187 . 0 0 "[ . 1 . 2]" 1
229 1 18 ILE HA 1 18 ILE MD 1.800 . 6.000 3.344 2.541 3.770 . 0 0 "[ . 1 . 2]" 1
230 1 17 GLU QB 1 18 ILE H 1.800 . 5.500 2.604 2.459 2.814 . 0 0 "[ . 1 . 2]" 1
231 1 17 GLU QG 1 18 ILE H 1.800 . 5.500 4.108 3.460 4.512 . 0 0 "[ . 1 . 2]" 1
232 1 19 PHE H 1 19 PHE QD 1.800 . 5.400 3.819 3.071 4.180 . 0 0 "[ . 1 . 2]" 1
233 1 19 PHE H 1 19 PHE QE 1.800 . 7.100 5.893 5.262 6.222 . 0 0 "[ . 1 . 2]" 1
234 1 18 ILE HB 1 19 PHE HA 1.800 . 5.000 4.544 3.948 4.981 . 0 0 "[ . 1 . 2]" 1
235 1 18 ILE MD 1 19 PHE HA 1.800 . 4.300 3.485 3.116 3.793 . 0 0 "[ . 1 . 2]" 1
236 1 20 ILE H 1 20 ILE HB 1.800 . 3.300 3.354 2.889 3.519 0.219 4 0 "[ . 1 . 2]" 1
237 1 20 ILE H 1 20 ILE MD 1.800 . 4.300 3.220 1.952 3.715 . 0 0 "[ . 1 . 2]" 1
238 1 20 ILE HA 1 20 ILE MG 1.800 . 3.800 2.036 1.925 2.144 . 0 0 "[ . 1 . 2]" 1
239 1 20 ILE HA 1 20 ILE MD 1.800 . 6.000 4.019 3.691 4.159 . 0 0 "[ . 1 . 2]" 1
240 1 19 PHE QB 1 20 ILE H 1.800 . 5.500 3.934 3.651 4.051 . 0 0 "[ . 1 . 2]" 1
241 1 21 THR H 1 21 THR MG 1.800 . 4.300 2.080 1.915 2.324 . 0 0 "[ . 1 . 2]" 1
242 1 21 THR HA 1 21 THR HB 1.800 . 2.800 2.372 2.334 2.515 . 0 0 "[ . 1 . 2]" 1
243 1 21 THR HA 1 21 THR MG 1.800 . 4.300 2.758 2.477 3.223 . 0 0 "[ . 1 . 2]" 1
244 1 20 ILE HB 1 21 THR H 1.800 . 5.000 2.821 2.487 3.340 . 0 0 "[ . 1 . 2]" 1
245 1 20 ILE MG 1 21 THR H 1.800 . 6.000 2.684 2.049 3.254 . 0 0 "[ . 1 . 2]" 1
246 1 21 THR HB 1 22 ARG H 1.800 . 5.000 3.729 2.997 4.310 . 0 0 "[ . 1 . 2]" 1
247 1 21 THR MG 1 22 ARG H 1.800 . 6.000 4.228 3.748 4.370 . 0 0 "[ . 1 . 2]" 1
248 1 23 ARG H 1 23 ARG QG 1.800 . 5.500 3.308 2.368 4.432 . 0 0 "[ . 1 . 2]" 1
249 1 23 ARG HA 1 23 ARG QG 1.800 . 5.500 2.616 2.064 3.288 . 0 0 "[ . 1 . 2]" 1
250 1 24 ALA H 1 24 ALA MB 1.800 . 3.800 2.780 2.163 2.982 . 0 0 "[ . 1 . 2]" 1
251 1 23 ARG H 1 24 ALA H 1.800 . 5.000 3.447 2.675 4.440 . 0 0 "[ . 1 . 2]" 1
252 1 23 ARG HA 1 24 ALA H 1.800 . 3.300 3.074 2.514 3.424 0.124 2 0 "[ . 1 . 2]" 1
253 1 23 ARG QB 1 24 ALA H 1.800 . 5.500 3.118 1.794 4.024 0.006 19 0 "[ . 1 . 2]" 1
254 1 23 ARG QG 1 24 ALA H 1.800 . 5.500 3.720 1.939 4.859 . 0 0 "[ . 1 . 2]" 1
255 1 22 ARG H 1 24 ALA HA 1.800 . 5.000 4.855 4.119 5.086 0.086 1 0 "[ . 1 . 2]" 1
256 1 23 ARG QB 1 24 ALA MB 1.800 . 6.500 4.124 3.530 4.517 . 0 0 "[ . 1 . 2]" 1
257 1 25 ALA H 1 25 ALA MB 1.800 . 3.800 2.655 2.215 2.989 . 0 0 "[ . 1 . 2]" 1
258 1 24 ALA HA 1 25 ALA H 1.800 . 5.000 3.103 2.545 3.570 . 0 0 "[ . 1 . 2]" 1
259 1 24 ALA MB 1 25 ALA H 1.800 . 6.000 2.606 1.903 3.669 . 0 0 "[ . 1 . 2]" 1
260 1 26 ASP HA 1 26 ASP HB3 1.800 . 2.800 2.505 2.364 2.842 0.042 4 0 "[ . 1 . 2]" 1
261 1 26 ASP HA 1 26 ASP HB2 1.800 . 2.800 2.602 2.450 2.851 0.051 12 0 "[ . 1 . 2]" 1
262 1 25 ALA HA 1 26 ASP H 1.800 . 5.000 3.176 2.279 3.573 . 0 0 "[ . 1 . 2]" 1
263 1 25 ALA MB 1 26 ASP H 1.800 . 4.300 2.979 1.956 3.719 . 0 0 "[ . 1 . 2]" 1
264 1 25 ALA H 1 26 ASP H 1.800 . 3.300 2.541 1.984 3.303 0.003 1 0 "[ . 1 . 2]" 1
265 1 25 ALA MB 1 26 ASP QB 1.800 . 6.500 3.812 3.149 5.197 . 0 0 "[ . 1 . 2]" 1
266 1 25 ALA MB 1 26 ASP HA 1.800 . 6.000 4.291 3.647 5.076 . 0 0 "[ . 1 . 2]" 1
267 1 27 ALA H 1 27 ALA MB 1.800 . 6.000 2.574 2.141 2.927 . 0 0 "[ . 1 . 2]" 1
268 1 30 ALA H 1 30 ALA MB 1.800 . 6.000 2.174 2.084 2.298 . 0 0 "[ . 1 . 2]" 1
269 1 29 MET HA 1 30 ALA H 1.800 . 3.300 2.454 2.138 2.838 . 0 0 "[ . 1 . 2]" 1
270 1 29 MET HA 1 30 ALA MB 1.800 . 6.000 4.241 3.998 4.502 . 0 0 "[ . 1 . 2]" 1
271 1 29 MET QB 1 30 ALA MB 1.800 . 6.500 4.887 4.663 5.047 . 0 0 "[ . 1 . 2]" 1
272 1 31 ASN H 1 31 ASN HB3 1.800 . 3.300 3.223 2.885 3.350 0.050 9 0 "[ . 1 . 2]" 1
273 1 31 ASN H 1 31 ASN HB2 1.800 . 3.300 2.707 2.138 3.389 0.089 9 0 "[ . 1 . 2]" 1
274 1 30 ALA HA 1 31 ASN H 1.800 . 5.000 3.422 3.354 3.538 . 0 0 "[ . 1 . 2]" 1
275 1 30 ALA MB 1 31 ASN H 1.800 . 6.000 3.028 2.615 3.220 . 0 0 "[ . 1 . 2]" 1
276 1 30 ALA MB 1 31 ASN HB3 1.800 . 6.000 5.003 4.354 5.564 . 0 0 "[ . 1 . 2]" 1
277 1 30 ALA MB 1 31 ASN HB2 1.800 . 6.000 4.617 3.757 5.578 . 0 0 "[ . 1 . 2]" 1
278 1 32 LYS H 1 32 LYS QG 1.800 . 5.500 3.828 3.573 4.129 . 0 0 "[ . 1 . 2]" 1
279 1 33 LEU H 1 33 LEU HB3 1.800 . 2.800 2.727 2.428 2.832 0.032 11 0 "[ . 1 . 2]" 1
280 1 33 LEU H 1 33 LEU HB2 1.800 . 2.800 2.316 2.195 2.581 . 0 0 "[ . 1 . 2]" 1
281 1 33 LEU H 1 33 LEU HG 1.800 . 5.000 4.301 4.195 4.530 . 0 0 "[ . 1 . 2]" 1
282 1 33 LEU H 1 33 LEU MD1 1.800 . 4.300 4.169 3.978 4.276 . 0 0 "[ . 1 . 2]" 1
283 1 33 LEU H 1 33 LEU MD2 1.800 . 4.300 4.228 4.136 4.274 . 0 0 "[ . 1 . 2]" 1
284 1 33 LEU HA 1 33 LEU HG 1.800 . 3.300 2.744 2.451 3.339 0.039 12 0 "[ . 1 . 2]" 1
285 1 33 LEU HA 1 33 LEU MD1 1.800 . 6.000 3.360 1.946 3.858 . 0 0 "[ . 1 . 2]" 1
286 1 33 LEU HA 1 33 LEU MD2 1.800 . 6.000 2.860 2.102 3.812 . 0 0 "[ . 1 . 2]" 1
287 1 32 LYS HA 1 33 LEU H 1.800 . 2.800 2.922 2.915 2.928 0.128 17 0 "[ . 1 . 2]" 1
288 1 32 LYS QB 1 33 LEU H 1.800 . 5.500 3.730 3.717 3.735 . 0 0 "[ . 1 . 2]" 1
289 1 34 GLU H 1 34 GLU QG 1.800 . 6.000 4.043 3.946 4.220 . 0 0 "[ . 1 . 2]" 1
290 1 33 LEU HA 1 34 GLU H 1.800 . 5.000 2.316 2.156 2.516 . 0 0 "[ . 1 . 2]" 1
291 1 33 LEU HB3 1 34 GLU H 1.800 . 5.000 4.384 4.213 4.497 . 0 0 "[ . 1 . 2]" 1
292 1 33 LEU HB2 1 34 GLU H 1.800 . 5.000 4.617 4.449 4.660 . 0 0 "[ . 1 . 2]" 1
293 1 33 LEU HG 1 34 GLU H 1.800 . 5.000 4.414 3.577 4.846 . 0 0 "[ . 1 . 2]" 1
294 1 33 LEU MD1 1 34 GLU H 1.800 . 6.000 4.775 2.816 5.411 . 0 0 "[ . 1 . 2]" 1
295 1 33 LEU MD2 1 34 GLU H 1.800 . 6.000 3.626 2.491 5.505 . 0 0 "[ . 1 . 2]" 1
296 1 34 GLU HA 1 35 PHE H 1.800 . 3.300 2.641 2.529 2.747 . 0 0 "[ . 1 . 2]" 1
297 1 34 GLU HB3 1 35 PHE H 1.800 . 5.000 2.534 2.195 2.867 . 0 0 "[ . 1 . 2]" 1
298 1 34 GLU HB2 1 35 PHE H 1.800 . 5.000 3.691 3.556 3.835 . 0 0 "[ . 1 . 2]" 1
299 1 36 PRO HA 1 36 PRO QD 1.800 . 6.000 3.205 3.086 3.476 . 0 0 "[ . 1 . 2]" 1
300 1 36 PRO HA 1 37 GLY H 1.800 . 5.000 2.433 2.376 2.460 . 0 0 "[ . 1 . 2]" 1
301 1 37 GLY HA3 1 38 GLY H 1.800 . 3.300 3.469 3.280 3.487 0.187 8 0 "[ . 1 . 2]" 1
302 1 37 GLY HA2 1 38 GLY H 1.800 . 3.300 2.551 2.495 3.307 0.007 16 0 "[ . 1 . 2]" 1
303 1 38 GLY H 1 40 ILE MG 1.800 . 4.300 3.984 3.115 4.402 0.102 16 0 "[ . 1 . 2]" 1
304 1 39 LYS H 1 39 LYS QG 1.800 . 5.500 4.241 3.001 4.324 . 0 0 "[ . 1 . 2]" 1
305 1 38 GLY HA3 1 39 LYS H 1.800 . 5.000 3.266 2.810 3.437 . 0 0 "[ . 1 . 2]" 1
306 1 38 GLY HA2 1 39 LYS H 1.800 . 5.000 2.193 2.153 2.381 . 0 0 "[ . 1 . 2]" 1
307 1 40 ILE H 1 40 ILE QG 1.800 . 5.500 3.111 2.715 3.924 . 0 0 "[ . 1 . 2]" 1
308 1 40 ILE H 1 40 ILE MG 1.800 . 4.300 1.960 1.856 2.029 . 0 0 "[ . 1 . 2]" 1
309 1 40 ILE H 1 40 ILE MD 1.800 . 6.000 4.299 4.178 4.543 . 0 0 "[ . 1 . 2]" 1
310 1 40 ILE HA 1 40 ILE QG 1.800 . 3.800 3.118 2.642 3.335 . 0 0 "[ . 1 . 2]" 1
311 1 40 ILE HA 1 40 ILE MG 1.800 . 3.800 2.648 2.421 3.127 . 0 0 "[ . 1 . 2]" 1
312 1 40 ILE HA 1 40 ILE MD 1.800 . 6.000 3.877 3.594 4.004 . 0 0 "[ . 1 . 2]" 1
313 1 40 ILE HB 1 40 ILE MD 1.800 . 4.300 2.148 2.016 2.287 . 0 0 "[ . 1 . 2]" 1
314 1 39 LYS HA 1 40 ILE H 1.800 . 3.300 3.243 2.945 3.339 0.039 7 0 "[ . 1 . 2]" 1
315 1 39 LYS QB 1 40 ILE H 1.800 . 3.800 3.494 3.256 3.940 0.140 20 0 "[ . 1 . 2]" 1
316 1 39 LYS HG3 1 40 ILE H 1.800 . 5.000 4.636 4.548 4.769 . 0 0 "[ . 1 . 2]" 1
317 1 39 LYS HG2 1 40 ILE H 1.800 . 5.000 4.873 3.901 5.047 0.047 12 0 "[ . 1 . 2]" 1
318 1 39 LYS HG3 1 40 ILE HA 1.800 . 5.000 4.977 4.883 5.028 0.028 20 0 "[ . 1 . 2]" 1
319 1 39 LYS HG2 1 40 ILE HA 1.800 . 5.000 4.826 4.508 5.049 0.049 20 0 "[ . 1 . 2]" 1
320 1 41 GLU H 1 41 GLU HB3 1.800 . 3.800 2.778 2.700 2.834 . 0 0 "[ . 1 . 2]" 1
321 1 41 GLU H 1 41 GLU HB2 1.800 . 3.800 3.594 3.538 3.777 . 0 0 "[ . 1 . 2]" 1
322 1 41 GLU H 1 41 GLU HG3 1.800 . 5.000 2.108 1.937 2.639 . 0 0 "[ . 1 . 2]" 1
323 1 41 GLU H 1 41 GLU HG2 1.800 . 5.000 2.701 2.614 3.121 . 0 0 "[ . 1 . 2]" 1
324 1 41 GLU HA 1 41 GLU HG3 1.800 . 3.800 3.535 3.530 3.538 . 0 0 "[ . 1 . 2]" 1
325 1 40 ILE HA 1 41 GLU H 1.800 . 3.300 3.426 3.393 3.486 0.186 9 0 "[ . 1 . 2]" 1
326 1 40 ILE QG 1 41 GLU H 1.800 . 5.500 2.221 1.952 2.812 . 0 0 "[ . 1 . 2]" 1
327 1 40 ILE MD 1 41 GLU H 1.800 . 6.000 3.871 3.533 4.354 . 0 0 "[ . 1 . 2]" 1
328 1 40 ILE QG 1 41 GLU HB3 1.800 . 5.000 3.811 3.615 4.166 . 0 0 "[ . 1 . 2]" 1
329 1 40 ILE QG 1 41 GLU HB2 1.800 . 5.000 4.774 4.667 5.034 0.034 17 0 "[ . 1 . 2]" 1
330 1 39 LYS H 1 41 GLU HG3 1.800 . 3.800 3.876 3.844 3.954 0.154 20 0 "[ . 1 . 2]" 1
331 1 39 LYS H 1 41 GLU HG2 1.800 . 3.800 3.815 3.800 3.864 0.064 20 0 "[ . 1 . 2]" 1
332 1 42 MET H 1 42 MET QG 1.800 . 3.800 2.675 2.376 3.829 0.029 7 0 "[ . 1 . 2]" 1
333 1 42 MET HA 1 42 MET QG 1.800 . 3.800 2.533 2.093 3.285 . 0 0 "[ . 1 . 2]" 1
334 1 41 GLU HB3 1 42 MET H 1.800 . 5.000 3.552 3.511 3.635 . 0 0 "[ . 1 . 2]" 1
335 1 41 GLU HB2 1 42 MET H 1.800 . 5.000 2.425 2.326 2.624 . 0 0 "[ . 1 . 2]" 1
336 1 41 GLU HG3 1 42 MET H 1.800 . 3.300 2.086 1.925 2.212 . 0 0 "[ . 1 . 2]" 1
337 1 41 GLU HG2 1 42 MET H 1.800 . 3.300 3.396 3.367 3.448 0.148 20 0 "[ . 1 . 2]" 1
338 1 42 MET HA 1 43 GLY H 1.800 . 5.000 3.507 3.203 3.534 . 0 0 "[ . 1 . 2]" 1
339 1 42 MET QB 1 43 GLY H 1.800 . 5.500 1.904 1.837 2.075 . 0 0 "[ . 1 . 2]" 1
340 1 42 MET QG 1 43 GLY H 1.800 . 3.800 3.628 1.914 3.856 0.056 16 0 "[ . 1 . 2]" 1
341 1 44 GLU H 1 44 GLU QG 1.800 . 3.800 3.707 3.308 3.808 0.008 18 0 "[ . 1 . 2]" 1
342 1 43 GLY H 1 44 GLU H 1.800 . 2.800 1.912 1.794 2.154 0.006 9 0 "[ . 1 . 2]" 1
343 1 43 GLY HA3 1 44 GLU H 1.800 . 3.300 3.451 3.393 3.476 0.176 5 0 "[ . 1 . 2]" 1
344 1 43 GLY HA2 1 44 GLU H 1.800 . 3.300 2.954 2.875 3.132 . 0 0 "[ . 1 . 2]" 1
345 1 42 MET QB 1 44 GLU H 1.800 . 5.500 3.261 2.526 3.677 . 0 0 "[ . 1 . 2]" 1
346 1 40 ILE MD 1 44 GLU H 1.800 . 6.000 5.464 4.583 6.052 0.052 7 0 "[ . 1 . 2]" 1
347 1 40 ILE QG 1 44 GLU H 1.800 . 5.500 5.392 4.826 5.608 0.108 20 0 "[ . 1 . 2]" 1
348 1 45 THR H 1 45 THR MG 1.800 . 3.800 3.673 3.630 3.703 . 0 0 "[ . 1 . 2]" 1
349 1 45 THR HA 1 45 THR MG 1.800 . 4.300 2.029 2.000 2.056 . 0 0 "[ . 1 . 2]" 1
350 1 44 GLU H 1 45 THR H 1.800 . 5.000 4.450 4.340 4.496 . 0 0 "[ . 1 . 2]" 1
351 1 44 GLU HA 1 45 THR H 1.800 . 5.000 2.722 2.611 2.887 . 0 0 "[ . 1 . 2]" 1
352 1 44 GLU QB 1 45 THR H 1.800 . 3.300 1.938 1.853 2.009 . 0 0 "[ . 1 . 2]" 1
353 1 44 GLU QG 1 45 THR H 1.800 . 3.300 2.970 2.385 3.303 0.003 20 0 "[ . 1 . 2]" 1
354 1 46 PRO HA 1 46 PRO HD3 1.800 . 5.000 3.149 3.139 3.209 . 0 0 "[ . 1 . 2]" 1
355 1 46 PRO HA 1 46 PRO HD2 1.800 . 5.000 3.993 3.989 4.014 . 0 0 "[ . 1 . 2]" 1
356 1 45 THR MG 1 46 PRO HB3 1.800 . 5.000 5.045 5.033 5.058 0.058 4 0 "[ . 1 . 2]" 1
357 1 45 THR MG 1 46 PRO HB2 1.800 . 5.000 4.798 4.715 4.932 . 0 0 "[ . 1 . 2]" 1
358 1 45 THR MG 1 46 PRO QG 1.800 . 5.500 2.867 2.820 2.969 . 0 0 "[ . 1 . 2]" 1
359 1 45 THR HA 1 46 PRO HA 1.800 . 5.000 4.401 4.397 4.404 . 0 0 "[ . 1 . 2]" 1
360 1 46 PRO HA 1 47 GLU H 1.800 . 5.000 3.499 3.496 3.504 . 0 0 "[ . 1 . 2]" 1
361 1 46 PRO HB3 1 47 GLU H 1.800 . 5.000 4.279 4.260 4.284 . 0 0 "[ . 1 . 2]" 1
362 1 46 PRO HB2 1 47 GLU H 1.800 . 5.000 3.267 3.231 3.321 . 0 0 "[ . 1 . 2]" 1
363 1 46 PRO HG3 1 47 GLU H 1.800 . 5.000 4.417 4.348 4.433 . 0 0 "[ . 1 . 2]" 1
364 1 46 PRO HG2 1 47 GLU H 1.800 . 5.000 3.006 2.900 3.038 . 0 0 "[ . 1 . 2]" 1
365 1 48 GLN H 1 48 GLN QG 1.800 . 3.300 2.551 1.871 3.226 . 0 0 "[ . 1 . 2]" 1
366 1 48 GLN HA 1 48 GLN QG 1.800 . 5.500 2.587 2.159 3.340 . 0 0 "[ . 1 . 2]" 1
367 1 47 GLU QB 1 48 GLN H 1.800 . 5.500 2.544 2.342 2.762 . 0 0 "[ . 1 . 2]" 1
368 1 48 GLN HA 1 51 VAL MG2 1.800 . 5.500 2.829 2.604 3.126 . 0 0 "[ . 1 . 2]" 1
369 1 49 ALA H 1 49 ALA MB 1.800 . 3.800 2.217 2.162 2.245 . 0 0 "[ . 1 . 2]" 1
370 1 48 GLN QB 1 49 ALA H 1.800 . 5.500 3.340 2.915 3.859 . 0 0 "[ . 1 . 2]" 1
371 1 48 GLN QG 1 49 ALA H 1.800 . 5.500 4.051 2.610 4.692 . 0 0 "[ . 1 . 2]" 1
372 1 47 GLU HB3 1 49 ALA H 1.800 . 5.000 4.888 4.661 5.015 0.015 1 0 "[ . 1 . 2]" 1
373 1 47 GLU HB2 1 49 ALA H 1.800 . 5.000 4.840 4.526 5.012 0.012 20 0 "[ . 1 . 2]" 1
374 1 46 PRO HA 1 49 ALA MB 1.800 . 6.000 3.087 2.830 3.312 . 0 0 "[ . 1 . 2]" 1
375 1 48 GLN QB 1 49 ALA MB 1.800 . 6.000 4.439 4.112 4.957 . 0 0 "[ . 1 . 2]" 1
376 1 48 GLN QG 1 49 ALA MB 1.800 . 6.000 5.142 3.489 5.828 . 0 0 "[ . 1 . 2]" 1
377 1 50 VAL H 1 50 VAL MG1 1.800 . 6.000 1.973 1.809 2.218 . 0 0 "[ . 1 . 2]" 1
378 1 50 VAL H 1 50 VAL MG2 1.800 . 3.800 3.119 2.286 3.765 . 0 0 "[ . 1 . 2]" 1
379 1 50 VAL HA 1 50 VAL MG1 1.800 . 3.800 2.863 2.451 3.194 . 0 0 "[ . 1 . 2]" 1
380 1 50 VAL HA 1 50 VAL MG2 1.800 . 6.000 2.850 2.414 3.189 . 0 0 "[ . 1 . 2]" 1
381 1 49 ALA HA 1 50 VAL H 1.800 . 5.000 3.564 3.544 3.579 . 0 0 "[ . 1 . 2]" 1
382 1 49 ALA MB 1 50 VAL H 1.800 . 4.300 2.303 2.208 2.439 . 0 0 "[ . 1 . 2]" 1
383 1 49 ALA MB 1 50 VAL MG1 1.800 . 5.300 2.885 2.520 3.252 . 0 0 "[ . 1 . 2]" 1
384 1 49 ALA MB 1 50 VAL MG2 1.800 . 5.300 4.525 3.876 4.897 . 0 0 "[ . 1 . 2]" 1
385 1 51 VAL H 1 51 VAL HB 1.800 . 3.300 2.637 2.533 2.672 . 0 0 "[ . 1 . 2]" 1
386 1 51 VAL H 1 51 VAL MG1 1.800 . 7.000 3.766 3.750 3.780 . 0 0 "[ . 1 . 2]" 1
387 1 51 VAL H 1 51 VAL MG2 1.800 . 7.000 1.930 1.879 2.124 . 0 0 "[ . 1 . 2]" 1
388 1 51 VAL HA 1 51 VAL MG1 1.800 . 5.300 2.291 2.252 2.405 . 0 0 "[ . 1 . 2]" 1
389 1 51 VAL HA 1 51 VAL MG2 1.800 . 5.300 2.452 2.375 2.471 . 0 0 "[ . 1 . 2]" 1
390 1 50 VAL MG1 1 51 VAL H 1.800 . 6.000 2.736 1.896 3.641 . 0 0 "[ . 1 . 2]" 1
391 1 50 VAL MG2 1 51 VAL H 1.800 . 4.300 2.477 1.827 3.497 . 0 0 "[ . 1 . 2]" 1
392 1 48 GLN HA 1 51 VAL HA 1.800 . 5.000 5.027 5.013 5.041 0.041 17 0 "[ . 1 . 2]" 1
393 1 48 GLN H 1 51 VAL MG1 1.800 . 6.000 5.953 5.799 6.024 0.024 10 0 "[ . 1 . 2]" 1
394 1 48 GLN QB 1 51 VAL MG1 1.800 . 6.500 4.668 4.298 4.982 . 0 0 "[ . 1 . 2]" 1
395 1 48 GLN QG 1 51 VAL MG1 1.800 . 6.500 4.615 3.754 5.933 . 0 0 "[ . 1 . 2]" 1
396 1 50 VAL H 1 51 VAL MG1 1.800 . 6.000 5.767 5.741 5.807 . 0 0 "[ . 1 . 2]" 1
397 1 50 VAL MG2 1 51 VAL MG1 1.800 . 7.000 4.318 3.958 5.031 . 0 0 "[ . 1 . 2]" 1
398 1 52 ARG H 1 52 ARG QB 1.800 . 3.800 2.213 2.094 2.345 . 0 0 "[ . 1 . 2]" 1
399 1 52 ARG H 1 52 ARG QG 1.800 . 5.500 3.670 2.602 4.054 . 0 0 "[ . 1 . 2]" 1
400 1 52 ARG HA 1 52 ARG QG 1.800 . 3.800 2.282 2.030 2.740 . 0 0 "[ . 1 . 2]" 1
401 1 51 VAL HB 1 52 ARG H 1.800 . 3.300 2.742 2.661 2.805 . 0 0 "[ . 1 . 2]" 1
402 1 51 VAL MG1 1 52 ARG H 1.800 . 3.800 3.656 3.519 3.693 . 0 0 "[ . 1 . 2]" 1
403 1 51 VAL MG1 1 52 ARG HA 1.800 . 4.300 3.701 3.567 3.777 . 0 0 "[ . 1 . 2]" 1
404 1 51 VAL MG1 1 52 ARG QG 1.800 . 6.500 4.642 3.582 5.576 . 0 0 "[ . 1 . 2]" 1
405 1 50 VAL MG2 1 52 ARG HA 1.800 . 6.000 6.113 6.090 6.153 0.153 6 0 "[ . 1 . 2]" 1
406 1 49 ALA MB 1 52 ARG QG 1.800 . 6.500 6.028 4.852 6.483 . 0 0 "[ . 1 . 2]" 1
407 1 53 GLU H 1 53 GLU QB 1.800 . 3.800 2.133 2.045 2.278 . 0 0 "[ . 1 . 2]" 1
408 1 53 GLU HA 1 53 GLU QG 1.800 . 3.800 2.559 2.012 2.997 . 0 0 "[ . 1 . 2]" 1
409 1 52 ARG QB 1 53 GLU H 1.800 . 5.500 2.474 2.321 2.838 . 0 0 "[ . 1 . 2]" 1
410 1 54 LEU H 1 54 LEU QB 1.800 . 3.800 2.081 2.016 2.242 . 0 0 "[ . 1 . 2]" 1
411 1 54 LEU H 1 54 LEU HG 1.800 . 5.000 4.418 4.253 4.529 . 0 0 "[ . 1 . 2]" 1
412 1 54 LEU H 1 54 LEU MD1 1.800 . 4.300 3.131 2.439 4.110 . 0 0 "[ . 1 . 2]" 1
413 1 54 LEU H 1 54 LEU MD2 1.800 . 6.000 4.059 3.655 4.322 . 0 0 "[ . 1 . 2]" 1
414 1 54 LEU HA 1 54 LEU HG 1.800 . 2.800 2.650 2.306 2.861 0.061 12 0 "[ . 1 . 2]" 1
415 1 54 LEU HA 1 54 LEU MD1 1.800 . 4.300 2.189 1.930 2.587 . 0 0 "[ . 1 . 2]" 1
416 1 54 LEU HA 1 54 LEU MD2 1.800 . 4.300 3.774 3.700 3.933 . 0 0 "[ . 1 . 2]" 1
417 1 54 LEU HB3 1 54 LEU MD1 1.800 . 6.000 3.164 3.108 3.191 . 0 0 "[ . 1 . 2]" 1
418 1 54 LEU HB3 1 54 LEU MD2 1.800 . 6.000 2.292 2.070 2.594 . 0 0 "[ . 1 . 2]" 1
419 1 54 LEU HB2 1 54 LEU MD1 1.800 . 6.000 2.313 2.064 2.584 . 0 0 "[ . 1 . 2]" 1
420 1 54 LEU HB2 1 54 LEU MD2 1.800 . 6.000 2.364 2.059 2.671 . 0 0 "[ . 1 . 2]" 1
421 1 51 VAL HA 1 54 LEU HG 1.800 . 5.000 4.994 4.787 5.066 0.066 12 0 "[ . 1 . 2]" 1
422 1 53 GLU QB 1 54 LEU MD1 1.800 . 6.500 4.076 3.221 5.305 . 0 0 "[ . 1 . 2]" 1
423 1 53 GLU QB 1 54 LEU H 1.800 . 3.800 3.008 2.888 3.098 . 0 0 "[ . 1 . 2]" 1
424 1 50 VAL MG2 1 54 LEU HG 1.800 . 6.000 4.598 3.912 5.779 . 0 0 "[ . 1 . 2]" 1
425 1 50 VAL MG2 1 54 LEU MD1 1.800 . 6.000 2.454 1.756 3.674 0.044 5 0 "[ . 1 . 2]" 1
426 1 55 GLN H 1 55 GLN HB3 1.800 . 3.300 3.160 2.438 3.307 0.007 17 0 "[ . 1 . 2]" 1
427 1 55 GLN H 1 55 GLN QG 1.800 . 5.500 3.656 3.329 4.059 . 0 0 "[ . 1 . 2]" 1
428 1 55 GLN HA 1 55 GLN QG 1.800 . 3.800 2.284 2.029 2.766 . 0 0 "[ . 1 . 2]" 1
429 1 54 LEU QB 1 55 GLN H 1.800 . 3.800 2.563 2.485 2.647 . 0 0 "[ . 1 . 2]" 1
430 1 54 LEU HG 1 55 GLN H 1.800 . 5.000 4.603 3.775 5.000 0.000 4 0 "[ . 1 . 2]" 1
431 1 54 LEU MD1 1 55 GLN H 1.800 . 6.000 4.576 4.332 4.778 . 0 0 "[ . 1 . 2]" 1
432 1 54 LEU MD2 1 55 GLN H 1.800 . 6.000 4.416 3.716 4.611 . 0 0 "[ . 1 . 2]" 1
433 1 55 GLN HA 1 58 VAL QG 1.800 . 7.000 3.442 1.919 3.852 . 0 0 "[ . 1 . 2]" 1
434 1 56 GLU H 1 56 GLU HB3 1.800 . 3.300 2.857 2.699 2.942 . 0 0 "[ . 1 . 2]" 1
435 1 56 GLU H 1 56 GLU HB2 1.800 . 3.300 2.265 2.202 2.398 . 0 0 "[ . 1 . 2]" 1
436 1 56 GLU H 1 56 GLU QG 1.800 . 5.500 3.854 3.793 3.946 . 0 0 "[ . 1 . 2]" 1
437 1 56 GLU HA 1 56 GLU QG 1.800 . 3.800 2.161 2.089 2.358 . 0 0 "[ . 1 . 2]" 1
438 1 55 GLN HA 1 56 GLU H 1.800 . 5.000 3.476 3.448 3.497 . 0 0 "[ . 1 . 2]" 1
439 1 55 GLN HB3 1 56 GLU H 1.800 . 5.000 3.132 2.756 3.325 . 0 0 "[ . 1 . 2]" 1
440 1 55 GLN HB2 1 56 GLU H 1.800 . 5.000 3.404 3.202 4.068 . 0 0 "[ . 1 . 2]" 1
441 1 55 GLN QG 1 56 GLU H 1.800 . 5.500 4.486 3.954 4.667 . 0 0 "[ . 1 . 2]" 1
442 1 53 GLU HA 1 56 GLU QG 1.800 . 5.500 4.136 3.835 4.583 . 0 0 "[ . 1 . 2]" 1
443 1 53 GLU QG 1 56 GLU HB3 1.800 . 5.000 3.737 2.583 4.808 . 0 0 "[ . 1 . 2]" 1
444 1 53 GLU QG 1 56 GLU HB2 1.800 . 5.000 4.128 3.341 5.005 0.005 17 0 "[ . 1 . 2]" 1
445 1 57 GLU H 1 57 GLU QB 1.800 . 3.800 2.431 2.294 2.651 . 0 0 "[ . 1 . 2]" 1
446 1 57 GLU H 1 57 GLU QG 1.800 . 5.500 3.318 2.297 4.082 . 0 0 "[ . 1 . 2]" 1
447 1 57 GLU HA 1 57 GLU QG 1.800 . 3.800 2.387 1.979 3.023 . 0 0 "[ . 1 . 2]" 1
448 1 56 GLU HA 1 57 GLU H 1.800 . 5.000 3.488 3.440 3.525 . 0 0 "[ . 1 . 2]" 1
449 1 56 GLU HB3 1 57 GLU H 1.800 . 5.000 2.990 2.769 3.088 . 0 0 "[ . 1 . 2]" 1
450 1 56 GLU HB2 1 57 GLU H 1.800 . 5.000 3.752 3.691 3.841 . 0 0 "[ . 1 . 2]" 1
451 1 56 GLU QG 1 57 GLU H 1.800 . 5.500 4.492 4.170 4.613 . 0 0 "[ . 1 . 2]" 1
452 1 56 GLU HB3 1 57 GLU HA 1.800 . 5.500 4.196 4.174 4.276 . 0 0 "[ . 1 . 2]" 1
453 1 56 GLU HB2 1 57 GLU HA 1.800 . 5.500 5.560 5.544 5.607 0.107 12 0 "[ . 1 . 2]" 1
454 1 55 GLN QB 1 57 GLU H 1.800 . 5.500 4.647 4.528 4.746 . 0 0 "[ . 1 . 2]" 1
455 1 54 LEU MD2 1 57 GLU H 1.800 . 6.000 6.057 5.733 6.132 0.132 2 0 "[ . 1 . 2]" 1
456 1 54 LEU HA 1 57 GLU QG 1.800 . 5.500 4.644 3.333 5.507 0.007 13 0 "[ . 1 . 2]" 1
457 1 58 VAL H 1 58 VAL HB 1.800 . 3.300 2.886 2.735 3.121 . 0 0 "[ . 1 . 2]" 1
458 1 58 VAL H 1 58 VAL MG1 1.800 . 7.000 3.807 2.899 3.984 . 0 0 "[ . 1 . 2]" 1
459 1 58 VAL H 1 58 VAL MG2 1.800 . 7.000 2.897 2.522 3.886 . 0 0 "[ . 1 . 2]" 1
460 1 58 VAL HA 1 58 VAL MG1 1.800 . 7.000 2.331 2.135 3.097 . 0 0 "[ . 1 . 2]" 1
461 1 58 VAL HA 1 58 VAL MG2 1.800 . 7.000 2.458 1.945 2.706 . 0 0 "[ . 1 . 2]" 1
462 1 57 GLU QB 1 58 VAL H 1.800 . 5.500 3.533 3.459 3.578 . 0 0 "[ . 1 . 2]" 1
463 1 57 GLU QG 1 58 VAL H 1.800 . 5.500 4.565 4.241 4.777 . 0 0 "[ . 1 . 2]" 1
464 1 57 GLU QG 1 58 VAL MG2 1.800 . 7.000 4.555 4.087 5.720 . 0 0 "[ . 1 . 2]" 1
465 1 57 GLU QB 1 58 VAL MG2 1.800 . 7.000 2.999 2.604 4.361 . 0 0 "[ . 1 . 2]" 1
466 1 59 GLY H 1 59 GLY HA2 1.800 . 2.800 2.278 2.263 2.290 . 0 0 "[ . 1 . 2]" 1
467 1 58 VAL HB 1 59 GLY H 1.800 . 3.300 2.635 2.490 3.304 0.004 12 0 "[ . 1 . 2]" 1
468 1 58 VAL MG1 1 59 GLY H 1.800 . 7.000 3.427 1.959 3.913 . 0 0 "[ . 1 . 2]" 1
469 1 58 VAL MG1 1 59 GLY HA3 1.800 . 7.000 4.560 3.711 4.971 . 0 0 "[ . 1 . 2]" 1
470 1 58 VAL MG1 1 59 GLY HA2 1.800 . 7.000 4.620 3.315 5.207 . 0 0 "[ . 1 . 2]" 1
471 1 55 GLN HA 1 59 GLY HA3 1.800 . 5.000 4.769 4.481 5.011 0.011 18 0 "[ . 1 . 2]" 1
472 1 55 GLN HA 1 59 GLY HA2 1.800 . 5.000 3.419 3.085 3.794 . 0 0 "[ . 1 . 2]" 1
473 1 58 VAL MG2 1 59 GLY HA3 1.800 . 7.000 5.539 5.305 5.626 . 0 0 "[ . 1 . 2]" 1
474 1 58 VAL MG2 1 59 GLY HA2 1.800 . 7.000 5.442 5.147 5.589 . 0 0 "[ . 1 . 2]" 1
475 1 60 ILE H 1 60 ILE HB 1.800 . 3.300 3.426 2.999 3.475 0.175 4 0 "[ . 1 . 2]" 1
476 1 60 ILE H 1 60 ILE QG 1.800 . 5.500 1.909 1.740 4.068 0.060 6 0 "[ . 1 . 2]" 1
477 1 60 ILE H 1 60 ILE MD 1.800 . 6.000 3.333 2.007 4.546 . 0 0 "[ . 1 . 2]" 1
478 1 60 ILE HA 1 60 ILE MD 1.800 . 6.000 4.046 3.538 4.170 . 0 0 "[ . 1 . 2]" 1
479 1 59 GLY HA3 1 60 ILE H 1.800 . 5.000 3.225 2.798 3.468 . 0 0 "[ . 1 . 2]" 1
480 1 59 GLY HA2 1 60 ILE H 1.800 . 3.300 3.323 3.137 3.494 0.194 15 0 "[ . 1 . 2]" 1
481 1 58 VAL MG1 1 60 ILE H 1.800 . 5.000 2.349 1.942 2.835 . 0 0 "[ . 1 . 2]" 1
482 1 58 VAL MG2 1 60 ILE H 1.800 . 5.000 4.184 3.522 4.650 . 0 0 "[ . 1 . 2]" 1
483 1 58 VAL MG1 1 60 ILE MD 1.800 . 7.000 1.978 1.780 3.636 0.020 12 0 "[ . 1 . 2]" 1
484 1 58 VAL MG2 1 60 ILE MG 1.800 . 7.000 5.765 3.678 6.091 . 0 0 "[ . 1 . 2]" 1
485 1 58 VAL MG1 1 60 ILE HB 1.800 . 6.000 3.506 3.227 3.989 . 0 0 "[ . 1 . 2]" 1
486 1 58 VAL MG2 1 60 ILE HB 1.800 . 6.000 5.789 4.529 6.103 0.103 5 0 "[ . 1 . 2]" 1
487 1 61 THR H 1 61 THR HB 1.800 . 3.300 3.458 3.313 3.533 0.233 16 0 "[ . 1 . 2]" 1
488 1 61 THR H 1 61 THR MG 1.800 . 6.000 2.804 1.838 3.218 . 0 0 "[ . 1 . 2]" 1
489 1 61 THR HA 1 61 THR MG 1.800 . 4.300 2.445 2.224 3.176 . 0 0 "[ . 1 . 2]" 1
490 1 60 ILE HA 1 61 THR H 1.800 . 3.300 2.667 2.409 2.763 . 0 0 "[ . 1 . 2]" 1
491 1 60 ILE HB 1 61 THR H 1.800 . 5.000 2.024 1.814 3.846 . 0 0 "[ . 1 . 2]" 1
492 1 60 ILE MG 1 61 THR H 1.800 . 6.000 2.665 2.346 3.440 . 0 0 "[ . 1 . 2]" 1
493 1 62 PRO HA 1 62 PRO HD3 1.800 . 5.000 4.074 4.043 4.109 . 0 0 "[ . 1 . 2]" 1
494 1 62 PRO HA 1 62 PRO HD2 1.800 . 5.000 3.867 3.781 3.924 . 0 0 "[ . 1 . 2]" 1
495 1 63 GLN H 1 63 GLN HG3 1.800 . 3.800 2.338 1.838 3.812 0.012 18 0 "[ . 1 . 2]" 1
496 1 63 GLN H 1 63 GLN HG2 1.800 . 3.800 3.350 1.798 3.826 0.026 15 0 "[ . 1 . 2]" 1
497 1 62 PRO HA 1 63 GLN H 1.800 . 5.000 2.249 2.198 2.313 . 0 0 "[ . 1 . 2]" 1
498 1 62 PRO QB 1 63 GLN H 1.800 . 5.000 3.099 2.868 3.332 . 0 0 "[ . 1 . 2]" 1
499 1 62 PRO QG 1 63 GLN H 1.800 . 5.000 4.435 4.254 4.660 . 0 0 "[ . 1 . 2]" 1
500 1 62 PRO QD 1 63 GLN H 1.800 . 5.000 4.630 4.542 4.713 . 0 0 "[ . 1 . 2]" 1
501 1 64 HIS H 1 64 HIS HB3 1.800 . 3.300 2.405 2.248 3.428 0.128 19 0 "[ . 1 . 2]" 1
502 1 63 GLN H 1 64 HIS H 1.800 . 3.800 3.794 3.707 3.824 0.024 15 0 "[ . 1 . 2]" 1
503 1 63 GLN HA 1 64 HIS H 1.800 . 5.000 2.260 2.225 2.316 . 0 0 "[ . 1 . 2]" 1
504 1 63 GLN QB 1 64 HIS H 1.800 . 5.500 3.807 3.772 3.861 . 0 0 "[ . 1 . 2]" 1
505 1 63 GLN HG3 1 64 HIS H 1.800 . 5.000 4.993 4.780 5.055 0.055 2 0 "[ . 1 . 2]" 1
506 1 63 GLN HG2 1 64 HIS H 1.800 . 5.000 4.936 4.608 5.051 0.051 16 0 "[ . 1 . 2]" 1
507 1 62 PRO HA 1 64 HIS H 1.800 . 5.000 4.681 4.577 4.767 . 0 0 "[ . 1 . 2]" 1
508 1 62 PRO HB3 1 64 HIS HB3 1.800 . 5.000 4.503 3.575 5.086 0.086 19 0 "[ . 1 . 2]" 1
509 1 62 PRO HB2 1 64 HIS HB3 1.800 . 5.000 3.122 2.078 3.538 . 0 0 "[ . 1 . 2]" 1
510 1 62 PRO HB3 1 64 HIS HB2 1.800 . 5.000 4.348 3.704 5.162 0.162 10 0 "[ . 1 . 2]" 1
511 1 62 PRO HB2 1 64 HIS HB2 1.800 . 5.000 2.772 2.016 3.776 . 0 0 "[ . 1 . 2]" 1
512 1 62 PRO HD3 1 64 HIS HB3 1.800 . 5.000 2.067 1.772 3.530 0.028 4 0 "[ . 1 . 2]" 1
513 1 62 PRO HD3 1 64 HIS HB2 1.800 . 5.500 5.582 5.045 5.658 0.158 4 0 "[ . 1 . 2]" 1
514 1 62 PRO HD2 1 64 HIS HB2 1.800 . 5.500 4.788 4.027 4.907 . 0 0 "[ . 1 . 2]" 1
515 1 65 PHE H 1 65 PHE HB3 1.800 . 3.300 3.366 3.339 3.418 0.118 10 0 "[ . 1 . 2]" 1
516 1 65 PHE H 1 65 PHE QD 1.800 . 6.400 4.367 4.248 4.498 . 0 0 "[ . 1 . 2]" 1
517 1 65 PHE HA 1 65 PHE QD 1.800 . 8.100 2.121 1.967 2.528 . 0 0 "[ . 1 . 2]" 1
518 1 64 HIS HA 1 65 PHE H 1.800 . 2.800 2.150 2.115 2.179 . 0 0 "[ . 1 . 2]" 1
519 1 64 HIS H 1 65 PHE H 1.800 . 5.000 4.367 4.286 4.427 . 0 0 "[ . 1 . 2]" 1
520 1 64 HIS H 1 65 PHE QD 1.800 . 7.100 5.426 5.137 5.822 . 0 0 "[ . 1 . 2]" 1
521 1 64 HIS HA 1 65 PHE QD 1.800 . 7.100 5.546 5.248 5.781 . 0 0 "[ . 1 . 2]" 1
522 1 65 PHE HA 1 66 SER H 1.800 . 3.300 2.993 2.490 3.126 . 0 0 "[ . 1 . 2]" 1
523 1 65 PHE HB3 1 66 SER H 1.800 . 5.000 1.986 1.799 3.085 0.001 9 0 "[ . 1 . 2]" 1
524 1 65 PHE HB2 1 66 SER H 1.800 . 5.000 3.379 3.290 3.846 . 0 0 "[ . 1 . 2]" 1
525 1 65 PHE QD 1 66 SER H 1.800 . 8.100 2.394 2.105 2.845 . 0 0 "[ . 1 . 2]" 1
526 1 67 LEU H 1 67 LEU QB 1.800 . 3.300 2.524 2.308 3.053 . 0 0 "[ . 1 . 2]" 1
527 1 67 LEU H 1 67 LEU HG 1.800 . 5.000 4.285 2.563 4.683 . 0 0 "[ . 1 . 2]" 1
528 1 67 LEU H 1 67 LEU MD2 1.800 . 3.800 3.783 3.411 3.826 0.026 19 0 "[ . 1 . 2]" 1
529 1 67 LEU H 1 67 LEU MD1 1.800 . 6.000 4.508 3.939 4.741 . 0 0 "[ . 1 . 2]" 1
530 1 66 SER HA 1 67 LEU H 1.800 . 2.800 2.374 2.257 2.604 . 0 0 "[ . 1 . 2]" 1
531 1 66 SER QB 1 67 LEU H 1.800 . 3.800 2.710 2.246 3.315 . 0 0 "[ . 1 . 2]" 1
532 1 68 PHE H 1 68 PHE QE 1.800 . 7.100 5.560 5.163 5.754 . 0 0 "[ . 1 . 2]" 1
533 1 68 PHE H 1 68 PHE QD 1.800 . 5.400 3.367 2.953 3.577 . 0 0 "[ . 1 . 2]" 1
534 1 68 PHE HA 1 68 PHE QD 1.800 . 7.100 3.363 3.190 3.523 . 0 0 "[ . 1 . 2]" 1
535 1 67 LEU HA 1 68 PHE H 1.800 . 3.300 2.158 2.129 2.251 . 0 0 "[ . 1 . 2]" 1
536 1 67 LEU MD1 1 68 PHE H 1.800 . 6.000 4.232 2.065 4.737 . 0 0 "[ . 1 . 2]" 1
537 1 67 LEU MD2 1 68 PHE H 1.800 . 6.000 3.895 2.672 5.184 . 0 0 "[ . 1 . 2]" 1
538 1 67 LEU HG 1 68 PHE H 1.800 . 5.000 3.370 2.237 4.560 . 0 0 "[ . 1 . 2]" 1
539 1 67 LEU HB3 1 68 PHE H 1.800 . 5.000 4.353 3.752 4.466 . 0 0 "[ . 1 . 2]" 1
540 1 67 LEU HB2 1 68 PHE H 1.800 . 5.000 4.182 3.251 4.393 . 0 0 "[ . 1 . 2]" 1
541 1 67 LEU MD1 1 68 PHE QD 1.800 . 7.100 5.480 3.572 6.012 . 0 0 "[ . 1 . 2]" 1
542 1 67 LEU MD1 1 68 PHE QE 1.800 . 7.100 6.750 5.183 7.110 0.010 8 0 "[ . 1 . 2]" 1
543 1 69 GLU H 1 69 GLU HG3 1.800 . 5.000 4.541 4.226 5.002 0.002 3 0 "[ . 1 . 2]" 1
544 1 69 GLU H 1 69 GLU HG2 1.800 . 5.000 4.675 4.311 5.015 0.015 16 0 "[ . 1 . 2]" 1
545 1 69 GLU HA 1 69 GLU HG3 1.800 . 3.300 2.755 2.162 3.209 . 0 0 "[ . 1 . 2]" 1
546 1 69 GLU HA 1 69 GLU HG2 1.800 . 3.300 2.413 2.062 3.199 . 0 0 "[ . 1 . 2]" 1
547 1 68 PHE HA 1 69 GLU H 1.800 . 5.000 3.543 3.523 3.563 . 0 0 "[ . 1 . 2]" 1
548 1 68 PHE H 1 69 GLU H 1.800 . 3.300 2.485 2.054 2.612 . 0 0 "[ . 1 . 2]" 1
549 1 68 PHE HB3 1 69 GLU H 1.800 . 5.000 2.968 2.720 3.239 . 0 0 "[ . 1 . 2]" 1
550 1 68 PHE HB2 1 69 GLU H 1.800 . 5.000 4.037 3.907 4.172 . 0 0 "[ . 1 . 2]" 1
551 1 68 PHE QD 1 69 GLU H 1.800 . 5.400 2.179 1.981 2.584 . 0 0 "[ . 1 . 2]" 1
552 1 67 LEU HA 1 69 GLU H 1.800 . 5.000 3.985 3.726 4.191 . 0 0 "[ . 1 . 2]" 1
553 1 67 LEU HG 1 69 GLU H 1.800 . 5.000 3.363 2.826 5.009 0.009 7 0 "[ . 1 . 2]" 1
554 1 67 LEU MD1 1 69 GLU H 1.800 . 6.000 3.966 1.935 4.483 . 0 0 "[ . 1 . 2]" 1
555 1 67 LEU MD2 1 69 GLU H 1.800 . 6.000 3.499 2.522 5.372 . 0 0 "[ . 1 . 2]" 1
556 1 70 LYS H 1 70 LYS QB 1.800 . 3.800 3.110 2.884 3.226 . 0 0 "[ . 1 . 2]" 1
557 1 70 LYS H 1 70 LYS QG 1.800 . 5.500 2.287 1.953 3.045 . 0 0 "[ . 1 . 2]" 1
558 1 70 LYS HA 1 70 LYS QE 1.800 . 5.500 4.858 4.172 5.510 0.010 8 0 "[ . 1 . 2]" 1
559 1 69 GLU QB 1 70 LYS H 1.800 . 3.300 3.094 2.551 3.324 0.024 8 0 "[ . 1 . 2]" 1
560 1 69 GLU HA 1 70 LYS QB 1.800 . 5.500 4.332 4.187 4.509 . 0 0 "[ . 1 . 2]" 1
561 1 69 GLU HA 1 70 LYS QG 1.800 . 5.500 3.833 3.354 4.850 . 0 0 "[ . 1 . 2]" 1
562 1 68 PHE QE 1 70 LYS HA 1.800 . 5.400 5.405 5.241 5.432 0.032 10 0 "[ . 1 . 2]" 1
563 1 68 PHE QD 1 70 LYS HA 1.800 . 7.100 5.309 5.079 5.631 . 0 0 "[ . 1 . 2]" 1
564 1 71 LEU H 1 71 LEU QB 1.800 . 3.800 2.504 2.304 3.197 . 0 0 "[ . 1 . 2]" 1
565 1 71 LEU H 1 71 LEU HG 1.800 . 4.300 3.903 2.185 4.362 0.062 11 0 "[ . 1 . 2]" 1
566 1 71 LEU H 1 71 LEU MD1 1.800 . 6.000 4.154 1.828 4.635 . 0 0 "[ . 1 . 2]" 1
567 1 71 LEU H 1 71 LEU MD2 1.800 . 6.000 3.895 1.910 4.353 . 0 0 "[ . 1 . 2]" 1
568 1 71 LEU HA 1 71 LEU MD1 1.800 . 6.000 2.860 1.968 4.060 . 0 0 "[ . 1 . 2]" 1
569 1 71 LEU HA 1 71 LEU MD2 1.800 . 6.000 3.932 3.423 4.124 . 0 0 "[ . 1 . 2]" 1
570 1 71 LEU QB 1 71 LEU MD1 1.800 . 4.300 2.110 1.973 2.382 . 0 0 "[ . 1 . 2]" 1
571 1 71 LEU QB 1 71 LEU MD2 1.800 . 4.300 2.032 1.943 2.193 . 0 0 "[ . 1 . 2]" 1
572 1 70 LYS QG 1 71 LEU H 1.800 . 5.500 4.296 3.961 4.585 . 0 0 "[ . 1 . 2]" 1
573 1 70 LYS QB 1 71 LEU H 1.800 . 5.500 3.155 3.081 3.450 . 0 0 "[ . 1 . 2]" 1
574 1 70 LYS QD 1 71 LEU H 1.800 . 7.000 4.857 3.816 5.733 . 0 0 "[ . 1 . 2]" 1
575 1 72 GLU H 1 72 GLU QG 1.800 . 3.800 3.849 3.828 3.860 0.060 10 0 "[ . 1 . 2]" 1
576 1 72 GLU HA 1 72 GLU QG 1.800 . 5.500 2.675 2.604 3.256 . 0 0 "[ . 1 . 2]" 1
577 1 71 LEU QB 1 72 GLU H 1.800 . 3.800 3.426 2.413 3.816 0.016 2 0 "[ . 1 . 2]" 1
578 1 71 LEU MD2 1 72 GLU H 1.800 . 5.000 4.337 2.536 4.962 . 0 0 "[ . 1 . 2]" 1
579 1 71 LEU MD1 1 72 GLU H 1.800 . 5.000 3.053 2.448 4.564 . 0 0 "[ . 1 . 2]" 1
580 1 73 TYR H 1 73 TYR QB 1.800 . 3.800 2.721 2.489 3.115 . 0 0 "[ . 1 . 2]" 1
581 1 73 TYR H 1 73 TYR QD 1.800 . 7.100 3.915 1.987 4.441 . 0 0 "[ . 1 . 2]" 1
582 1 73 TYR HA 1 73 TYR QD 1.800 . 4.900 2.692 2.068 3.696 . 0 0 "[ . 1 . 2]" 1
583 1 72 GLU QG 1 73 TYR H 1.800 . 3.800 3.143 2.697 3.804 0.004 18 0 "[ . 1 . 2]" 1
584 1 72 GLU QB 1 73 TYR H 1.800 . 5.500 3.870 3.699 3.900 . 0 0 "[ . 1 . 2]" 1
585 1 71 LEU MD1 1 73 TYR QD 1.800 . 5.900 4.237 3.381 4.886 . 0 0 "[ . 1 . 2]" 1
586 1 71 LEU MD1 1 73 TYR QE 1.800 . 8.100 5.535 3.639 6.241 . 0 0 "[ . 1 . 2]" 1
587 1 71 LEU MD1 1 73 TYR QB 1.800 . 6.000 3.252 2.197 5.233 . 0 0 "[ . 1 . 2]" 1
588 1 71 LEU MD2 1 73 TYR QB 1.800 . 6.000 3.533 2.718 5.030 . 0 0 "[ . 1 . 2]" 1
589 1 71 LEU QB 1 73 TYR QB 1.800 . 6.000 4.847 4.256 5.403 . 0 0 "[ . 1 . 2]" 1
590 1 74 GLU H 1 74 GLU HG3 1.800 . 3.300 3.001 2.761 3.211 . 0 0 "[ . 1 . 2]" 1
591 1 74 GLU H 1 74 GLU HG2 1.800 . 3.300 1.899 1.827 1.941 . 0 0 "[ . 1 . 2]" 1
592 1 73 TYR QB 1 74 GLU H 1.800 . 5.500 3.367 2.741 3.740 . 0 0 "[ . 1 . 2]" 1
593 1 73 TYR QD 1 74 GLU H 1.800 . 7.100 3.318 2.532 4.770 . 0 0 "[ . 1 . 2]" 1
594 1 75 PHE H 1 75 PHE HB3 1.800 . 3.300 3.337 3.301 3.388 0.088 10 0 "[ . 1 . 2]" 1
595 1 75 PHE H 1 75 PHE HB2 1.800 . 3.300 2.176 2.068 2.322 . 0 0 "[ . 1 . 2]" 1
596 1 74 GLU QB 1 75 PHE H 1.800 . 3.800 3.057 2.872 3.307 . 0 0 "[ . 1 . 2]" 1
597 1 74 GLU HG3 1 75 PHE H 1.800 . 5.000 4.690 4.406 4.865 . 0 0 "[ . 1 . 2]" 1
598 1 74 GLU HG2 1 75 PHE H 1.800 . 5.000 5.027 5.011 5.046 0.046 6 0 "[ . 1 . 2]" 1
599 1 73 TYR QE 1 75 PHE QE 1.800 . 9.000 3.022 1.995 3.935 . 0 0 "[ . 1 . 2]" 1
600 1 73 TYR QE 1 75 PHE HZ 1.800 . 6.000 4.740 3.656 5.828 . 0 0 "[ . 1 . 2]" 1
601 1 73 TYR QD 1 75 PHE QE 1.800 . 9.000 3.281 2.580 4.417 . 0 0 "[ . 1 . 2]" 1
602 1 73 TYR QD 1 75 PHE HZ 1.800 . 6.000 5.310 4.763 5.714 . 0 0 "[ . 1 . 2]" 1
603 1 76 PRO HA 1 76 PRO HD3 1.800 . 5.000 3.257 3.047 3.390 . 0 0 "[ . 1 . 2]" 1
604 1 76 PRO HA 1 76 PRO HD2 1.800 . 5.000 3.994 3.925 4.042 . 0 0 "[ . 1 . 2]" 1
605 1 75 PHE HA 1 76 PRO HD3 1.800 . 3.800 2.625 2.325 2.836 . 0 0 "[ . 1 . 2]" 1
606 1 75 PHE HA 1 76 PRO HD2 1.800 . 3.800 2.411 2.284 2.663 . 0 0 "[ . 1 . 2]" 1
607 1 75 PHE QD 1 76 PRO QG 1.800 . 7.500 3.210 2.710 3.617 . 0 0 "[ . 1 . 2]" 1
608 1 75 PHE QE 1 76 PRO QG 1.800 . 7.500 4.481 4.263 4.945 . 0 0 "[ . 1 . 2]" 1
609 1 77 ASP H 1 77 ASP QB 1.800 . 3.800 3.273 3.052 3.514 . 0 0 "[ . 1 . 2]" 1
610 1 76 PRO HA 1 77 ASP H 1.800 . 3.300 2.400 2.312 3.457 0.157 18 0 "[ . 1 . 2]" 1
611 1 76 PRO HB3 1 77 ASP H 1.800 . 5.000 4.394 4.185 4.444 . 0 0 "[ . 1 . 2]" 1
612 1 76 PRO HB2 1 77 ASP H 1.800 . 5.000 4.197 3.100 4.325 . 0 0 "[ . 1 . 2]" 1
613 1 76 PRO QG 1 77 ASP H 1.800 . 5.500 4.740 2.931 4.928 . 0 0 "[ . 1 . 2]" 1
614 1 76 PRO HD3 1 77 ASP H 1.800 . 5.000 4.900 4.246 5.001 0.001 3 0 "[ . 1 . 2]" 1
615 1 76 PRO HD2 1 77 ASP H 1.800 . 5.000 5.018 3.493 5.122 0.122 12 0 "[ . 1 . 2]" 1
616 1 78 ARG H 1 78 ARG QG 1.800 . 5.500 4.155 4.003 4.256 . 0 0 "[ . 1 . 2]" 1
617 1 78 ARG HA 1 78 ARG QG 1.800 . 3.800 2.285 2.118 2.564 . 0 0 "[ . 1 . 2]" 1
618 1 77 ASP H 1 78 ARG H 1.800 . 3.300 2.355 1.794 2.777 0.006 18 0 "[ . 1 . 2]" 1
619 1 77 ASP HA 1 78 ARG H 1.800 . 5.000 3.155 3.014 3.506 . 0 0 "[ . 1 . 2]" 1
620 1 76 PRO QG 1 78 ARG HB3 1.800 . 5.500 5.365 4.957 5.529 0.029 5 0 "[ . 1 . 2]" 1
621 1 76 PRO QG 1 78 ARG HB2 1.800 . 5.500 5.259 4.757 5.527 0.027 5 0 "[ . 1 . 2]" 1
622 1 79 HIS H 1 79 HIS QB 1.800 . 3.800 2.386 2.128 2.587 . 0 0 "[ . 1 . 2]" 1
623 1 78 ARG QB 1 79 HIS H 1.800 . 5.500 3.739 3.344 3.981 . 0 0 "[ . 1 . 2]" 1
624 1 78 ARG QG 1 79 HIS H 1.800 . 5.500 2.985 1.977 3.700 . 0 0 "[ . 1 . 2]" 1
625 1 80 ILE H 1 80 ILE QG 1.800 . 3.800 3.822 2.593 3.969 0.169 13 0 "[ . 1 . 2]" 1
626 1 80 ILE H 1 80 ILE MD 1.800 . 6.000 4.465 3.953 4.701 . 0 0 "[ . 1 . 2]" 1
627 1 80 ILE H 1 80 ILE MG 1.800 . 4.300 2.105 1.891 3.063 . 0 0 "[ . 1 . 2]" 1
628 1 80 ILE HA 1 80 ILE HB 1.800 . 2.800 2.434 2.284 2.820 0.020 11 0 "[ . 1 . 2]" 1
629 1 80 ILE HA 1 80 ILE MD 1.800 . 6.000 3.606 3.409 4.149 . 0 0 "[ . 1 . 2]" 1
630 1 80 ILE HA 1 80 ILE MG 1.800 . 4.300 3.134 2.570 3.199 . 0 0 "[ . 1 . 2]" 1
631 1 79 HIS QB 1 80 ILE H 1.800 . 5.500 3.787 3.392 4.005 . 0 0 "[ . 1 . 2]" 1
632 1 81 THR H 1 81 THR HB 1.800 . 3.300 3.108 2.497 3.348 0.048 9 0 "[ . 1 . 2]" 1
633 1 81 THR H 1 81 THR MG 1.800 . 6.000 3.727 3.474 3.909 . 0 0 "[ . 1 . 2]" 1
634 1 81 THR HA 1 81 THR MG 1.800 . 6.000 2.193 2.000 2.447 . 0 0 "[ . 1 . 2]" 1
635 1 80 ILE HG13 1 81 THR H 1.800 . 5.000 3.059 2.372 3.705 . 0 0 "[ . 1 . 2]" 1
636 1 80 ILE HG12 1 81 THR H 1.800 . 5.000 3.864 3.300 4.252 . 0 0 "[ . 1 . 2]" 1
637 1 80 ILE MD 1 81 THR H 1.800 . 6.000 4.491 3.998 4.821 . 0 0 "[ . 1 . 2]" 1
638 1 80 ILE HG12 1 81 THR HA 1.800 . 6.000 4.419 4.038 5.443 . 0 0 "[ . 1 . 2]" 1
639 1 80 ILE MG 1 81 THR HA 1.800 . 6.000 4.191 3.268 5.448 . 0 0 "[ . 1 . 2]" 1
640 1 82 LEU H 1 82 LEU QB 1.800 . 5.500 2.601 2.418 3.128 . 0 0 "[ . 1 . 2]" 1
641 1 82 LEU H 1 82 LEU MD1 1.800 . 4.300 3.887 2.372 4.314 0.014 14 0 "[ . 1 . 2]" 1
642 1 82 LEU H 1 82 LEU MD2 1.800 . 6.000 4.028 3.251 4.556 . 0 0 "[ . 1 . 2]" 1
643 1 81 THR H 1 82 LEU H 1.800 . 5.000 4.417 4.197 4.504 . 0 0 "[ . 1 . 2]" 1
644 1 81 THR MG 1 82 LEU H 1.800 . 6.000 2.951 2.557 3.328 . 0 0 "[ . 1 . 2]" 1
645 1 82 LEU HA 1 82 LEU MD1 1.800 . 6.000 3.180 1.889 3.881 . 0 0 "[ . 1 . 2]" 1
646 1 82 LEU HA 1 82 LEU MD2 1.800 . 6.000 2.755 2.008 3.924 . 0 0 "[ . 1 . 2]" 1
647 1 80 ILE MG 1 82 LEU MD1 1.800 . 6.000 4.678 3.723 6.039 0.039 17 0 "[ . 1 . 2]" 1
648 1 83 TRP H 1 83 TRP HE1 1.800 . 5.000 4.714 4.338 5.037 0.037 14 0 "[ . 1 . 2]" 1
649 1 83 TRP H 1 83 TRP HD1 1.800 . 5.000 2.678 2.517 2.966 . 0 0 "[ . 1 . 2]" 1
650 1 82 LEU QB 1 83 TRP H 1.800 . 5.500 3.542 3.369 3.835 . 0 0 "[ . 1 . 2]" 1
651 1 82 LEU MD1 1 83 TRP H 1.800 . 6.000 4.227 2.143 5.342 . 0 0 "[ . 1 . 2]" 1
652 1 82 LEU MD2 1 83 TRP H 1.800 . 6.000 4.097 3.057 5.404 . 0 0 "[ . 1 . 2]" 1
653 1 84 PHE H 1 84 PHE QD 1.800 . 5.400 2.722 2.120 3.558 . 0 0 "[ . 1 . 2]" 1
654 1 84 PHE H 1 84 PHE QE 1.800 . 7.100 4.883 4.431 5.425 . 0 0 "[ . 1 . 2]" 1
655 1 84 PHE HA 1 84 PHE QD 1.800 . 7.100 2.509 1.808 3.211 . 0 0 "[ . 1 . 2]" 1
656 1 83 TRP HB3 1 84 PHE H 1.800 . 5.000 3.424 3.220 3.514 . 0 0 "[ . 1 . 2]" 1
657 1 83 TRP HB2 1 84 PHE H 1.800 . 5.000 4.066 3.683 4.330 . 0 0 "[ . 1 . 2]" 1
658 1 83 TRP HD1 1 84 PHE H 1.800 . 5.000 5.028 4.939 5.120 0.120 9 0 "[ . 1 . 2]" 1
659 1 82 LEU MD1 1 84 PHE QE 1.800 . 6.400 2.863 1.804 3.708 . 0 0 "[ . 1 . 2]" 1
660 1 82 LEU MD2 1 84 PHE QE 1.800 . 6.400 2.947 1.936 3.913 . 0 0 "[ . 1 . 2]" 1
661 1 82 LEU MD1 1 84 PHE HZ 1.800 . 4.300 3.607 2.507 4.323 0.023 7 0 "[ . 1 . 2]" 1
662 1 82 LEU MD2 1 84 PHE HZ 1.800 . 4.300 3.819 1.845 4.344 0.044 16 0 "[ . 1 . 2]" 1
663 1 85 TRP H 1 85 TRP HE1 1.800 . 5.000 4.888 4.587 5.029 0.029 20 0 "[ . 1 . 2]" 1
664 1 84 PHE QD 1 85 TRP H 1.800 . 7.100 4.372 3.742 4.760 . 0 0 "[ . 1 . 2]" 1
665 1 86 LEU H 1 86 LEU QB 1.800 . 5.500 2.322 2.262 2.385 . 0 0 "[ . 1 . 2]" 1
666 1 86 LEU H 1 86 LEU MD1 1.800 . 7.000 4.227 3.929 4.390 . 0 0 "[ . 1 . 2]" 1
667 1 85 TRP HB3 1 86 LEU H 1.800 . 5.000 2.813 2.782 2.853 . 0 0 "[ . 1 . 2]" 1
668 1 85 TRP HB2 1 86 LEU H 1.800 . 5.000 3.924 3.779 4.002 . 0 0 "[ . 1 . 2]" 1
669 1 85 TRP HE3 1 86 LEU H 1.800 . 5.000 3.999 3.657 4.242 . 0 0 "[ . 1 . 2]" 1
670 1 87 VAL H 1 87 VAL MG1 1.800 . 6.000 3.779 3.761 3.891 . 0 0 "[ . 1 . 2]" 1
671 1 87 VAL H 1 87 VAL MG2 1.800 . 4.300 2.151 1.956 2.549 . 0 0 "[ . 1 . 2]" 1
672 1 86 LEU QB 1 87 VAL H 1.800 . 5.000 3.898 3.597 3.935 . 0 0 "[ . 1 . 2]" 1
673 1 86 LEU HG 1 87 VAL H 1.800 . 5.500 4.055 2.892 5.150 . 0 0 "[ . 1 . 2]" 1
674 1 86 LEU MD1 1 87 VAL H 1.800 . 4.300 3.200 2.341 3.795 . 0 0 "[ . 1 . 2]" 1
675 1 88 GLU H 1 88 GLU QG 1.800 . 5.500 3.132 1.902 4.090 . 0 0 "[ . 1 . 2]" 1
676 1 88 GLU HA 1 88 GLU QG 1.800 . 5.500 2.876 2.208 3.485 . 0 0 "[ . 1 . 2]" 1
677 1 87 VAL MG1 1 88 GLU H 1.800 . 4.300 2.090 1.931 2.470 . 0 0 "[ . 1 . 2]" 1
678 1 87 VAL HB 1 88 GLU H 1.800 . 5.000 3.744 3.309 3.834 . 0 0 "[ . 1 . 2]" 1
679 1 87 VAL HB 1 88 GLU HA 1.800 . 4.300 4.490 4.445 4.540 0.240 14 0 "[ . 1 . 2]" 1
680 1 89 ARG H 1 89 ARG QG 1.800 . 5.500 3.108 2.294 4.143 . 0 0 "[ . 1 . 2]" 1
681 1 89 ARG HA 1 89 ARG QG 1.800 . 5.500 3.157 2.629 3.396 . 0 0 "[ . 1 . 2]" 1
682 1 88 GLU QB 1 89 ARG H 1.800 . 5.500 3.116 2.059 3.829 . 0 0 "[ . 1 . 2]" 1
683 1 88 GLU QG 1 89 ARG H 1.800 . 3.800 3.342 2.380 3.819 0.019 18 0 "[ . 1 . 2]" 1
684 1 88 GLU HA 1 89 ARG H 1.800 . 5.000 3.546 3.434 3.632 . 0 0 "[ . 1 . 2]" 1
685 1 88 GLU H 1 89 ARG H 1.800 . 3.300 2.312 2.108 2.928 . 0 0 "[ . 1 . 2]" 1
686 1 88 GLU H 1 89 ARG HA 1.800 . 5.000 4.853 4.776 5.029 0.029 19 0 "[ . 1 . 2]" 1
687 1 88 GLU H 1 89 ARG QB 1.800 . 6.000 4.858 4.253 5.476 . 0 0 "[ . 1 . 2]" 1
688 1 88 GLU H 1 89 ARG QG 1.800 . 6.000 4.817 3.683 5.915 . 0 0 "[ . 1 . 2]" 1
689 1 87 VAL HA 1 89 ARG H 1.800 . 5.000 4.309 4.032 5.061 0.061 19 0 "[ . 1 . 2]" 1
690 1 87 VAL MG1 1 89 ARG H 1.800 . 6.000 2.585 2.252 4.010 . 0 0 "[ . 1 . 2]" 1
691 1 90 TRP H 1 90 TRP HB3 1.800 . 3.300 3.178 3.005 3.261 . 0 0 "[ . 1 . 2]" 1
692 1 90 TRP H 1 90 TRP HD1 1.800 . 5.000 4.540 4.255 4.756 . 0 0 "[ . 1 . 2]" 1
693 1 89 ARG HA 1 90 TRP H 1.800 . 2.800 2.403 2.322 2.434 . 0 0 "[ . 1 . 2]" 1
694 1 89 ARG H 1 90 TRP H 1.800 . 5.000 4.392 4.346 4.426 . 0 0 "[ . 1 . 2]" 1
695 1 89 ARG QB 1 90 TRP H 1.800 . 5.500 2.722 2.315 3.419 . 0 0 "[ . 1 . 2]" 1
696 1 89 ARG QG 1 90 TRP H 1.800 . 5.500 3.291 1.839 4.432 . 0 0 "[ . 1 . 2]" 1
697 1 87 VAL MG1 1 90 TRP HE3 1.800 . 6.000 3.677 3.438 5.371 . 0 0 "[ . 1 . 2]" 1
698 1 89 ARG H 1 90 TRP HE3 1.800 . 5.000 5.021 4.766 5.178 0.178 19 0 "[ . 1 . 2]" 1
699 1 91 GLU H 1 91 GLU QB 1.800 . 3.800 2.235 2.111 2.396 . 0 0 "[ . 1 . 2]" 1
700 1 91 GLU H 1 91 GLU QG 1.800 . 5.500 3.740 2.754 4.104 . 0 0 "[ . 1 . 2]" 1
701 1 91 GLU HA 1 91 GLU QG 1.800 . 5.500 2.293 2.077 2.818 . 0 0 "[ . 1 . 2]" 1
702 1 90 TRP HA 1 91 GLU H 1.800 . 3.300 2.190 2.124 2.420 . 0 0 "[ . 1 . 2]" 1
703 1 90 TRP HB3 1 91 GLU H 1.800 . 5.000 4.291 3.822 4.501 . 0 0 "[ . 1 . 2]" 1
704 1 90 TRP HB2 1 91 GLU H 1.800 . 5.000 3.236 2.486 3.556 . 0 0 "[ . 1 . 2]" 1
705 1 90 TRP HD1 1 91 GLU H 1.800 . 5.000 3.742 3.353 4.343 . 0 0 "[ . 1 . 2]" 1
706 1 91 GLU HA 1 92 GLY H 1.800 . 2.800 2.222 2.135 2.424 . 0 0 "[ . 1 . 2]" 1
707 1 91 GLU H 1 92 GLY H 1.800 . 5.000 4.416 3.643 4.621 . 0 0 "[ . 1 . 2]" 1
708 1 91 GLU QG 1 92 GLY H 1.800 . 5.500 3.275 2.199 4.175 . 0 0 "[ . 1 . 2]" 1
709 1 91 GLU QB 1 92 GLY H 1.800 . 5.500 3.522 2.764 4.031 . 0 0 "[ . 1 . 2]" 1
710 1 90 TRP HD1 1 92 GLY H 1.800 . 5.000 3.730 2.105 4.496 . 0 0 "[ . 1 . 2]" 1
711 1 93 GLU H 1 93 GLU QB 1.800 . 3.800 2.614 2.413 2.806 . 0 0 "[ . 1 . 2]" 1
712 1 93 GLU H 1 93 GLU HG3 1.800 . 5.000 3.843 2.728 4.684 . 0 0 "[ . 1 . 2]" 1
713 1 93 GLU H 1 93 GLU HG2 1.800 . 5.000 4.381 3.716 4.899 . 0 0 "[ . 1 . 2]" 1
714 1 93 GLU HA 1 93 GLU HG3 1.800 . 3.300 2.737 2.099 3.312 0.012 12 0 "[ . 1 . 2]" 1
715 1 93 GLU HA 1 93 GLU HG2 1.800 . 3.300 2.782 2.085 3.345 0.045 10 0 "[ . 1 . 2]" 1
716 1 92 GLY HA3 1 93 GLU H 1.800 . 3.300 2.144 2.135 2.195 . 0 0 "[ . 1 . 2]" 1
717 1 92 GLY HA2 1 93 GLU H 1.800 . 3.300 3.220 3.043 3.309 0.009 10 0 "[ . 1 . 2]" 1
718 1 92 GLY H 1 93 GLU H 1.800 . 5.000 4.460 4.139 4.586 . 0 0 "[ . 1 . 2]" 1
719 1 90 TRP HE1 1 93 GLU HA 1.800 . 3.800 2.328 1.894 3.654 . 0 0 "[ . 1 . 2]" 1
720 1 93 GLU HA 1 94 PRO HD3 1.800 . 3.800 1.815 1.798 1.839 0.002 9 0 "[ . 1 . 2]" 1
721 1 93 GLU HA 1 94 PRO HD2 1.800 . 3.800 2.901 2.702 3.019 . 0 0 "[ . 1 . 2]" 1
722 1 90 TRP HE1 1 94 PRO HD3 1.800 . 5.000 2.153 1.925 2.416 . 0 0 "[ . 1 . 2]" 1
723 1 90 TRP HE1 1 94 PRO HD2 1.800 . 3.800 3.794 3.671 3.855 0.055 10 0 "[ . 1 . 2]" 1
724 1 95 TRP H 1 95 TRP QB 1.800 . 3.800 3.145 3.081 3.226 . 0 0 "[ . 1 . 2]" 1
725 1 95 TRP H 1 95 TRP HD1 1.800 . 3.300 3.073 2.710 3.288 . 0 0 "[ . 1 . 2]" 1
726 1 94 PRO HA 1 95 TRP H 1.800 . 3.800 2.173 2.143 2.190 . 0 0 "[ . 1 . 2]" 1
727 1 94 PRO QB 1 95 TRP H 1.800 . 5.500 3.354 3.326 3.370 . 0 0 "[ . 1 . 2]" 1
728 1 94 PRO QD 1 95 TRP HA 1.800 . 5.000 5.057 5.031 5.114 0.114 17 0 "[ . 1 . 2]" 1
729 1 95 TRP HA 1 96 GLY H 1.800 . 5.000 3.556 3.530 3.567 . 0 0 "[ . 1 . 2]" 1
730 1 95 TRP QB 1 96 GLY H 1.800 . 3.800 2.970 2.563 3.134 . 0 0 "[ . 1 . 2]" 1
731 1 95 TRP QB 1 96 GLY HA3 1.800 . 5.000 4.775 4.500 4.933 . 0 0 "[ . 1 . 2]" 1
732 1 95 TRP QB 1 96 GLY HA2 1.800 . 5.000 4.515 4.254 4.678 . 0 0 "[ . 1 . 2]" 1
733 1 96 GLY HA3 1 97 LYS H 1.800 . 3.800 2.253 2.129 2.481 . 0 0 "[ . 1 . 2]" 1
734 1 96 GLY HA2 1 97 LYS H 1.800 . 3.800 3.452 3.277 3.558 . 0 0 "[ . 1 . 2]" 1
735 1 96 GLY H 1 97 LYS H 1.800 . 5.000 4.189 3.786 4.482 . 0 0 "[ . 1 . 2]" 1
736 1 98 GLU H 1 98 GLU HG3 1.800 . 3.300 2.615 1.904 3.327 0.027 9 0 "[ . 1 . 2]" 1
737 1 98 GLU H 1 98 GLU HG2 1.800 . 3.300 2.455 1.856 3.356 0.056 18 0 "[ . 1 . 2]" 1
738 1 97 LYS H 1 98 GLU H 1.800 . 2.800 2.117 1.841 2.777 . 0 0 "[ . 1 . 2]" 1
739 1 97 LYS HA 1 98 GLU H 1.800 . 5.000 2.806 2.345 3.555 . 0 0 "[ . 1 . 2]" 1
740 1 97 LYS QB 1 98 GLU H 1.800 . 5.500 3.785 1.947 4.060 . 0 0 "[ . 1 . 2]" 1
741 1 97 LYS QG 1 98 GLU H 1.800 . 5.500 4.434 3.872 4.863 . 0 0 "[ . 1 . 2]" 1
742 1 98 GLU QB 1 99 GLY H 1.800 . 5.500 3.449 3.225 3.936 . 0 0 "[ . 1 . 2]" 1
743 1 98 GLU HG3 1 99 GLY H 1.800 . 5.000 2.329 1.949 4.050 . 0 0 "[ . 1 . 2]" 1
744 1 98 GLU HG2 1 99 GLY H 1.800 . 5.000 3.374 2.362 4.818 . 0 0 "[ . 1 . 2]" 1
745 1 98 GLU HA 1 99 GLY H 1.800 . 5.000 3.490 2.950 3.569 . 0 0 "[ . 1 . 2]" 1
746 1 98 GLU H 1 99 GLY H 1.800 . 2.800 2.619 2.301 2.870 0.070 9 0 "[ . 1 . 2]" 1
747 1 97 LYS H 1 99 GLY H 1.800 . 5.000 4.477 4.165 4.872 . 0 0 "[ . 1 . 2]" 1
748 1 98 GLU HA 1 99 GLY HA3 1.800 . 5.500 4.573 4.354 4.813 . 0 0 "[ . 1 . 2]" 1
749 1 98 GLU HA 1 99 GLY HA2 1.800 . 5.500 5.077 4.626 5.284 . 0 0 "[ . 1 . 2]" 1
750 1 99 GLY HA3 1 100 GLN H 1.800 . 5.000 3.117 2.173 3.521 . 0 0 "[ . 1 . 2]" 1
751 1 99 GLY HA2 1 100 GLN H 1.800 . 5.000 3.302 2.925 3.576 . 0 0 "[ . 1 . 2]" 1
752 1 99 GLY HA3 1 100 GLN HA 1.800 . 5.000 4.542 4.360 4.600 . 0 0 "[ . 1 . 2]" 1
753 1 99 GLY HA2 1 100 GLN HA 1.800 . 5.000 4.465 4.380 4.561 . 0 0 "[ . 1 . 2]" 1
754 1 99 GLY HA3 1 100 GLN QB 1.800 . 5.500 4.537 4.079 5.076 . 0 0 "[ . 1 . 2]" 1
755 1 99 GLY HA2 1 100 GLN QB 1.800 . 5.500 5.117 4.755 5.421 . 0 0 "[ . 1 . 2]" 1
756 1 100 GLN HA 1 101 PRO QB 1.800 . 4.300 4.417 4.407 4.450 0.150 7 0 "[ . 1 . 2]" 1
757 1 100 GLN HA 1 101 PRO HD3 1.800 . 3.300 2.313 2.091 2.407 . 0 0 "[ . 1 . 2]" 1
758 1 100 GLN HA 1 101 PRO HD2 1.800 . 3.300 2.172 2.151 2.249 . 0 0 "[ . 1 . 2]" 1
759 1 100 GLN QG 1 101 PRO QB 1.800 . 6.000 5.552 4.135 6.014 0.014 13 0 "[ . 1 . 2]" 1
760 1 100 GLN QG 1 101 PRO HD3 1.800 . 5.500 4.361 4.093 4.908 . 0 0 "[ . 1 . 2]" 1
761 1 100 GLN QG 1 101 PRO HD2 1.800 . 5.500 3.983 3.182 5.084 . 0 0 "[ . 1 . 2]" 1
762 1 101 PRO HA 1 102 GLY H 1.800 . 3.300 2.203 2.158 2.244 . 0 0 "[ . 1 . 2]" 1
763 1 101 PRO HB3 1 102 GLY H 1.800 . 5.000 3.343 3.198 3.620 . 0 0 "[ . 1 . 2]" 1
764 1 101 PRO HB2 1 102 GLY H 1.800 . 5.000 3.887 3.768 4.090 . 0 0 "[ . 1 . 2]" 1
765 1 101 PRO QG 1 102 GLY H 1.800 . 5.500 4.542 4.479 4.640 . 0 0 "[ . 1 . 2]" 1
766 1 103 GLU H 1 103 GLU QB 1.800 . 3.800 2.749 2.450 3.252 . 0 0 "[ . 1 . 2]" 1
767 1 102 GLY HA3 1 103 GLU H 1.800 . 3.300 2.596 2.581 2.685 . 0 0 "[ . 1 . 2]" 1
768 1 102 GLY HA2 1 103 GLU H 1.800 . 3.300 2.512 2.422 2.533 . 0 0 "[ . 1 . 2]" 1
769 1 104 TRP H 1 104 TRP QB 1.800 . 3.800 2.811 2.731 2.945 . 0 0 "[ . 1 . 2]" 1
770 1 103 GLU QB 1 104 TRP H 1.800 . 3.800 2.880 2.562 3.376 . 0 0 "[ . 1 . 2]" 1
771 1 105 MET H 1 105 MET QG 1.800 . 3.800 2.308 1.828 3.586 . 0 0 "[ . 1 . 2]" 1
772 1 105 MET HA 1 105 MET QG 1.800 . 5.500 3.106 2.647 3.349 . 0 0 "[ . 1 . 2]" 1
773 1 104 TRP QB 1 105 MET H 1.800 . 5.500 3.542 3.521 3.567 . 0 0 "[ . 1 . 2]" 1
774 1 106 SER H 1 106 SER HB3 1.800 . 3.300 2.842 2.273 3.300 0.000 9 0 "[ . 1 . 2]" 1
775 1 105 MET H 1 106 SER H 1.800 . 5.000 4.487 4.441 4.501 . 0 0 "[ . 1 . 2]" 1
776 1 105 MET HB3 1 106 SER H 1.800 . 5.000 3.434 2.464 4.029 . 0 0 "[ . 1 . 2]" 1
777 1 105 MET HB2 1 106 SER H 1.800 . 3.300 2.888 2.427 3.343 0.043 9 0 "[ . 1 . 2]" 1
778 1 105 MET QG 1 106 SER H 1.800 . 5.500 3.906 1.974 4.415 . 0 0 "[ . 1 . 2]" 1
779 1 107 LEU H 1 107 LEU QB 1.800 . 3.300 2.168 2.059 2.275 . 0 0 "[ . 1 . 2]" 1
780 1 107 LEU H 1 107 LEU QD 1.800 . 7.000 3.479 3.193 3.754 . 0 0 "[ . 1 . 2]" 1
781 1 107 LEU HA 1 107 LEU QD 1.800 . 5.300 1.979 1.854 2.342 . 0 0 "[ . 1 . 2]" 1
782 1 106 SER H 1 107 LEU H 1.800 . 5.000 4.450 4.390 4.545 . 0 0 "[ . 1 . 2]" 1
783 1 106 SER HB3 1 107 LEU H 1.800 . 5.000 4.161 3.773 4.493 . 0 0 "[ . 1 . 2]" 1
784 1 106 SER HB2 1 107 LEU H 1.800 . 5.000 3.811 3.295 4.568 . 0 0 "[ . 1 . 2]" 1
785 1 105 MET HB3 1 107 LEU QD 1.800 . 6.500 5.982 4.896 6.506 0.006 3 0 "[ . 1 . 2]" 1
786 1 105 MET HB2 1 107 LEU QD 1.800 . 6.500 5.122 3.624 6.132 . 0 0 "[ . 1 . 2]" 1
787 1 106 SER HA 1 107 LEU QB 1.800 . 5.500 4.039 3.996 4.086 . 0 0 "[ . 1 . 2]" 1
788 1 108 VAL H 1 108 VAL HB 1.800 . 3.300 2.562 2.477 2.737 . 0 0 "[ . 1 . 2]" 1
789 1 108 VAL H 1 108 VAL QG 1.800 . 5.300 2.137 1.931 2.322 . 0 0 "[ . 1 . 2]" 1
790 1 108 VAL HA 1 108 VAL QG 1.800 . 4.800 2.210 2.084 2.307 . 0 0 "[ . 1 . 2]" 1
791 1 107 LEU HA 1 108 VAL H 1.800 . 5.000 3.427 3.418 3.456 . 0 0 "[ . 1 . 2]" 1
792 1 107 LEU H 1 108 VAL H 1.800 . 3.300 2.526 2.396 2.651 . 0 0 "[ . 1 . 2]" 1
793 1 107 LEU QB 1 108 VAL H 1.800 . 5.500 3.038 2.911 3.088 . 0 0 "[ . 1 . 2]" 1
794 1 107 LEU QD 1 108 VAL H 1.800 . 7.000 3.901 3.508 4.326 . 0 0 "[ . 1 . 2]" 1
795 1 107 LEU QD 1 108 VAL QG 1.800 . 6.000 4.310 3.702 4.837 . 0 0 "[ . 1 . 2]" 1
796 1 108 VAL HA 1 109 GLY H 1.800 . 5.000 3.429 3.373 3.469 . 0 0 "[ . 1 . 2]" 1
797 1 108 VAL HB 1 109 GLY H 1.800 . 5.000 3.898 3.008 4.304 . 0 0 "[ . 1 . 2]" 1
798 1 108 VAL QG 1 109 GLY H 1.800 . 4.800 2.734 2.250 3.561 . 0 0 "[ . 1 . 2]" 1
799 1 108 VAL H 1 109 GLY H 1.800 . 2.800 2.765 2.693 2.812 0.012 1 0 "[ . 1 . 2]" 1
800 1 107 LEU H 1 109 GLY H 1.800 . 5.000 4.352 4.195 4.448 . 0 0 "[ . 1 . 2]" 1
801 1 108 VAL H 1 109 GLY HA3 1.800 . 5.500 5.103 4.983 5.201 . 0 0 "[ . 1 . 2]" 1
802 1 108 VAL H 1 109 GLY HA2 1.800 . 5.500 5.356 5.289 5.403 . 0 0 "[ . 1 . 2]" 1
803 1 110 LEU H 1 110 LEU HB3 1.800 . 2.800 2.744 2.469 2.853 0.053 6 0 "[ . 1 . 2]" 1
804 1 110 LEU H 1 110 LEU HB2 1.800 . 3.300 2.304 2.164 2.583 . 0 0 "[ . 1 . 2]" 1
805 1 110 LEU H 1 110 LEU HG 1.800 . 5.000 4.503 4.255 4.606 . 0 0 "[ . 1 . 2]" 1
806 1 110 LEU H 1 110 LEU MD1 1.800 . 4.300 3.939 3.632 4.276 . 0 0 "[ . 1 . 2]" 1
807 1 110 LEU H 1 110 LEU MD2 1.800 . 6.000 4.118 3.512 4.331 . 0 0 "[ . 1 . 2]" 1
808 1 110 LEU HA 1 110 LEU HG 1.800 . 3.800 2.815 2.276 3.682 . 0 0 "[ . 1 . 2]" 1
809 1 110 LEU HA 1 110 LEU MD1 1.800 . 4.300 2.668 1.914 3.726 . 0 0 "[ . 1 . 2]" 1
810 1 109 GLY HA3 1 110 LEU H 1.800 . 5.000 3.543 3.522 3.566 . 0 0 "[ . 1 . 2]" 1
811 1 109 GLY HA2 1 110 LEU H 1.800 . 5.000 2.804 2.683 2.902 . 0 0 "[ . 1 . 2]" 1
812 1 109 GLY H 1 110 LEU H 1.800 . 2.800 2.824 2.805 2.863 0.063 5 0 "[ . 1 . 2]" 1
813 1 108 VAL H 1 110 LEU H 1.800 . 5.000 4.789 4.637 5.014 0.014 5 0 "[ . 1 . 2]" 1
814 1 108 VAL HA 1 110 LEU H 1.800 . 5.000 4.111 3.787 4.475 . 0 0 "[ . 1 . 2]" 1
815 1 111 ASN H 1 111 ASN HB3 1.800 . 3.300 3.285 2.954 3.345 0.045 3 0 "[ . 1 . 2]" 1
816 1 111 ASN H 1 111 ASN HB2 1.800 . 3.300 2.466 2.381 2.507 . 0 0 "[ . 1 . 2]" 1
817 1 110 LEU H 1 111 ASN H 1.800 . 5.000 4.622 4.545 4.657 . 0 0 "[ . 1 . 2]" 1
818 1 110 LEU HA 1 111 ASN H 1.800 . 2.800 2.248 2.173 2.310 . 0 0 "[ . 1 . 2]" 1
819 1 110 LEU HB3 1 111 ASN H 1.800 . 5.000 3.817 3.584 4.035 . 0 0 "[ . 1 . 2]" 1
820 1 110 LEU HB2 1 111 ASN H 1.800 . 5.000 4.225 3.941 4.415 . 0 0 "[ . 1 . 2]" 1
821 1 110 LEU HG 1 111 ASN H 1.800 . 5.000 2.851 2.073 4.290 . 0 0 "[ . 1 . 2]" 1
822 1 110 LEU MD1 1 111 ASN H 1.800 . 6.000 3.072 1.833 4.353 . 0 0 "[ . 1 . 2]" 1
823 1 110 LEU MD2 1 111 ASN H 1.800 . 6.000 3.447 1.935 4.617 . 0 0 "[ . 1 . 2]" 1
824 1 112 ALA H 1 112 ALA MB 1.800 . 3.800 2.225 2.161 2.270 . 0 0 "[ . 1 . 2]" 1
825 1 111 ASN HA 1 112 ALA H 1.800 . 3.300 2.136 2.116 2.172 . 0 0 "[ . 1 . 2]" 1
826 1 111 ASN HB3 1 112 ALA H 1.800 . 5.000 3.585 3.319 4.193 . 0 0 "[ . 1 . 2]" 1
827 1 111 ASN HB2 1 112 ALA H 1.800 . 5.000 4.433 4.327 4.610 . 0 0 "[ . 1 . 2]" 1
828 1 113 ASP H 1 113 ASP HB3 1.800 . 3.300 2.950 2.538 3.323 0.023 14 0 "[ . 1 . 2]" 1
829 1 113 ASP H 1 113 ASP HB2 1.800 . 3.300 2.334 2.105 3.345 0.045 14 0 "[ . 1 . 2]" 1
830 1 112 ALA HA 1 113 ASP H 1.800 . 5.000 3.404 3.397 3.424 . 0 0 "[ . 1 . 2]" 1
831 1 112 ALA MB 1 113 ASP H 1.800 . 4.300 3.069 2.983 3.094 . 0 0 "[ . 1 . 2]" 1
832 1 112 ALA H 1 113 ASP H 1.800 . 2.800 2.490 2.451 2.515 . 0 0 "[ . 1 . 2]" 1
833 1 111 ASN HA 1 113 ASP H 1.800 . 5.000 3.519 3.207 3.649 . 0 0 "[ . 1 . 2]" 1
834 1 111 ASN HB3 1 113 ASP H 1.800 . 5.000 2.719 2.377 3.758 . 0 0 "[ . 1 . 2]" 1
835 1 111 ASN HB2 1 113 ASP H 1.800 . 5.000 4.299 4.079 4.796 . 0 0 "[ . 1 . 2]" 1
836 1 114 ASP H 1 114 ASP HB3 1.800 . 3.300 3.316 3.270 3.340 0.040 4 0 "[ . 1 . 2]" 1
837 1 114 ASP H 1 114 ASP HB2 1.800 . 3.300 2.767 2.060 3.338 0.038 1 0 "[ . 1 . 2]" 1
838 1 114 ASP HA 1 114 ASP HB3 1.800 . 2.800 2.491 2.226 2.823 0.023 2 0 "[ . 1 . 2]" 1
839 1 114 ASP HA 1 114 ASP HB2 1.800 . 2.800 2.843 2.822 2.881 0.081 20 0 "[ . 1 . 2]" 1
840 1 113 ASP HA 1 114 ASP H 1.800 . 5.000 3.562 3.540 3.570 . 0 0 "[ . 1 . 2]" 1
841 1 113 ASP HB3 1 114 ASP H 1.800 . 5.000 2.629 2.409 4.042 . 0 0 "[ . 1 . 2]" 1
842 1 113 ASP HB2 1 114 ASP H 1.800 . 5.000 3.379 2.871 3.766 . 0 0 "[ . 1 . 2]" 1
843 1 113 ASP H 1 114 ASP H 1.800 . 2.800 2.556 2.461 2.630 . 0 0 "[ . 1 . 2]" 1
844 1 112 ALA H 1 114 ASP H 1.800 . 5.000 4.520 4.293 4.580 . 0 0 "[ . 1 . 2]" 1
845 1 114 ASP H 1 115 PHE QE 1.800 . 7.100 5.990 5.894 6.170 . 0 0 "[ . 1 . 2]" 1
846 1 115 PHE H 1 115 PHE QB 1.800 . 3.300 2.237 2.174 2.576 . 0 0 "[ . 1 . 2]" 1
847 1 114 ASP HA 1 115 PHE H 1.800 . 5.000 3.492 3.299 3.524 . 0 0 "[ . 1 . 2]" 1
848 1 115 PHE H 1 115 PHE QD 1.800 . 5.400 2.365 2.169 2.643 . 0 0 "[ . 1 . 2]" 1
849 1 115 PHE H 1 115 PHE QE 1.800 . 7.100 4.667 4.479 4.801 . 0 0 "[ . 1 . 2]" 1
850 1 115 PHE HA 1 115 PHE QD 1.800 . 5.400 3.585 3.477 3.606 . 0 0 "[ . 1 . 2]" 1
851 1 114 ASP HB3 1 115 PHE H 1.800 . 5.000 3.790 3.015 4.294 . 0 0 "[ . 1 . 2]" 1
852 1 114 ASP HB2 1 115 PHE H 1.800 . 5.000 3.209 3.032 3.844 . 0 0 "[ . 1 . 2]" 1
853 1 114 ASP H 1 115 PHE H 1.800 . 2.800 2.609 2.473 2.649 . 0 0 "[ . 1 . 2]" 1
854 1 114 ASP HA 1 115 PHE HA 1.800 . 5.000 4.664 4.491 4.697 . 0 0 "[ . 1 . 2]" 1
855 1 114 ASP HB3 1 115 PHE QB 1.800 . 5.500 4.861 4.000 5.516 0.016 9 0 "[ . 1 . 2]" 1
856 1 114 ASP HB2 1 115 PHE QB 1.800 . 5.500 4.282 4.004 4.733 . 0 0 "[ . 1 . 2]" 1
857 1 114 ASP H 1 115 PHE QD 1.800 . 5.400 4.172 4.068 4.680 . 0 0 "[ . 1 . 2]" 1
858 1 113 ASP H 1 115 PHE H 1.800 . 5.000 3.850 3.719 3.926 . 0 0 "[ . 1 . 2]" 1
859 1 117 PRO HA 1 117 PRO HD3 1.800 . 5.500 3.447 3.365 3.593 . 0 0 "[ . 1 . 2]" 1
860 1 117 PRO HA 1 117 PRO HD2 1.800 . 5.500 4.080 4.063 4.100 . 0 0 "[ . 1 . 2]" 1
861 1 118 ALA H 1 118 ALA MB 1.800 . 6.000 2.154 2.077 2.231 . 0 0 "[ . 1 . 2]" 1
862 1 117 PRO HA 1 118 ALA H 1.800 . 5.000 3.440 3.430 3.472 . 0 0 "[ . 1 . 2]" 1
863 1 117 PRO QB 1 118 ALA H 1.800 . 5.500 3.460 3.400 3.508 . 0 0 "[ . 1 . 2]" 1
864 1 117 PRO QG 1 118 ALA H 1.800 . 5.500 2.919 2.668 3.014 . 0 0 "[ . 1 . 2]" 1
865 1 118 ALA HA 1 119 ASN H 1.800 . 5.000 3.383 3.364 3.408 . 0 0 "[ . 1 . 2]" 1
866 1 118 ALA MB 1 119 ASN H 1.800 . 6.000 3.189 3.123 3.252 . 0 0 "[ . 1 . 2]" 1
867 1 118 ALA HA 1 119 ASN QB 1.800 . 5.000 5.013 4.946 5.068 0.068 2 0 "[ . 1 . 2]" 1
868 1 120 GLU H 1 120 GLU HB3 1.800 . 3.300 3.135 2.090 3.376 0.076 9 0 "[ . 1 . 2]" 1
869 1 120 GLU H 1 120 GLU HB2 1.800 . 3.300 2.407 2.069 3.354 0.054 13 0 "[ . 1 . 2]" 1
870 1 119 ASN HA 1 120 GLU H 1.800 . 5.000 2.869 2.742 3.309 . 0 0 "[ . 1 . 2]" 1
871 1 119 ASN HB3 1 120 GLU H 1.800 . 5.000 4.267 3.788 4.644 . 0 0 "[ . 1 . 2]" 1
872 1 119 ASN HB2 1 120 GLU H 1.800 . 5.000 4.375 3.791 4.521 . 0 0 "[ . 1 . 2]" 1
873 1 119 ASN H 1 120 GLU H 1.800 . 3.300 2.637 2.078 2.787 . 0 0 "[ . 1 . 2]" 1
874 1 119 ASN QB 1 120 GLU HA 1.800 . 5.500 4.312 4.051 4.748 . 0 0 "[ . 1 . 2]" 1
875 1 121 PRO HA 1 121 PRO QD 1.800 . 5.500 3.318 3.266 3.390 . 0 0 "[ . 1 . 2]" 1
876 1 121 PRO HB2 1 121 PRO HD3 1.800 . 4.300 3.871 3.859 3.884 . 0 0 "[ . 1 . 2]" 1
877 1 122 VAL H 1 122 VAL HB 1.800 . 3.300 2.749 2.497 2.957 . 0 0 "[ . 1 . 2]" 1
878 1 122 VAL H 1 122 VAL MG1 1.800 . 6.000 3.758 3.713 3.780 . 0 0 "[ . 1 . 2]" 1
879 1 122 VAL H 1 122 VAL MG2 1.800 . 4.300 2.034 1.908 2.256 . 0 0 "[ . 1 . 2]" 1
880 1 122 VAL HA 1 122 VAL MG1 1.800 . 4.300 2.224 2.033 2.328 . 0 0 "[ . 1 . 2]" 1
881 1 122 VAL HA 1 122 VAL MG2 1.800 . 4.300 2.530 2.357 2.693 . 0 0 "[ . 1 . 2]" 1
882 1 121 PRO HA 1 122 VAL H 1.800 . 5.000 3.538 3.515 3.561 . 0 0 "[ . 1 . 2]" 1
883 1 121 PRO QB 1 122 VAL H 1.800 . 5.500 2.548 2.402 2.700 . 0 0 "[ . 1 . 2]" 1
884 1 121 PRO QG 1 122 VAL H 1.800 . 5.500 3.821 3.723 3.918 . 0 0 "[ . 1 . 2]" 1
885 1 121 PRO QD 1 122 VAL H 1.800 . 3.800 2.892 2.654 3.033 . 0 0 "[ . 1 . 2]" 1
886 1 121 PRO HB2 1 122 VAL HB 1.800 . 5.000 4.995 4.882 5.059 0.059 16 0 "[ . 1 . 2]" 1
887 1 119 ASN HB3 1 122 VAL MG2 1.800 . 6.000 3.680 3.504 4.035 . 0 0 "[ . 1 . 2]" 1
888 1 119 ASN HB2 1 122 VAL MG2 1.800 . 6.000 4.552 3.180 4.843 . 0 0 "[ . 1 . 2]" 1
889 1 123 ILE H 1 123 ILE HB 1.800 . 2.800 2.444 2.309 2.735 . 0 0 "[ . 1 . 2]" 1
890 1 123 ILE H 1 123 ILE MD 1.800 . 4.300 3.833 3.354 4.144 . 0 0 "[ . 1 . 2]" 1
891 1 123 ILE H 1 123 ILE MG 1.800 . 6.000 3.649 1.947 3.767 . 0 0 "[ . 1 . 2]" 1
892 1 123 ILE HA 1 123 ILE MD 1.800 . 3.800 2.472 1.992 2.950 . 0 0 "[ . 1 . 2]" 1
893 1 123 ILE HA 1 123 ILE MG 1.800 . 6.000 2.480 2.272 3.179 . 0 0 "[ . 1 . 2]" 1
894 1 122 VAL HB 1 123 ILE H 1.800 . 3.300 2.348 2.306 2.413 . 0 0 "[ . 1 . 2]" 1
895 1 122 VAL MG1 1 123 ILE H 1.800 . 4.300 3.609 3.287 3.830 . 0 0 "[ . 1 . 2]" 1
896 1 120 GLU HA 1 123 ILE MG 1.800 . 6.000 3.830 1.868 4.215 . 0 0 "[ . 1 . 2]" 1
897 1 120 GLU HA 1 123 ILE MD 1.800 . 6.000 5.042 4.755 5.524 . 0 0 "[ . 1 . 2]" 1
898 1 124 ALA H 1 124 ALA MB 1.800 . 3.800 2.176 2.076 2.237 . 0 0 "[ . 1 . 2]" 1
899 1 123 ILE HB 1 124 ALA H 1.800 . 5.000 2.977 2.811 4.122 . 0 0 "[ . 1 . 2]" 1
900 1 123 ILE MD 1 124 ALA HA 1.800 . 4.300 3.398 3.229 3.680 . 0 0 "[ . 1 . 2]" 1
901 1 123 ILE H 1 124 ALA MB 1.800 . 6.000 4.234 4.182 4.294 . 0 0 "[ . 1 . 2]" 1
902 1 123 ILE MD 1 124 ALA MB 1.800 . 6.000 4.101 3.110 4.328 . 0 0 "[ . 1 . 2]" 1
903 1 125 LYS H 1 125 LYS QB 1.800 . 3.800 2.155 2.064 2.432 . 0 0 "[ . 1 . 2]" 1
904 1 125 LYS H 1 125 LYS QG 1.800 . 5.500 3.633 2.261 4.057 . 0 0 "[ . 1 . 2]" 1
905 1 125 LYS HA 1 125 LYS QG 1.800 . 3.800 2.219 2.018 2.978 . 0 0 "[ . 1 . 2]" 1
906 1 125 LYS QB 1 125 LYS QE 1.800 . 5.500 3.196 2.169 3.774 . 0 0 "[ . 1 . 2]" 1
907 1 124 ALA HA 1 125 LYS H 1.800 . 5.000 3.482 3.469 3.499 . 0 0 "[ . 1 . 2]" 1
908 1 124 ALA MB 1 125 LYS H 1.800 . 6.000 2.809 2.687 2.908 . 0 0 "[ . 1 . 2]" 1
909 1 126 LEU H 1 126 LEU QB 1.800 . 3.300 2.176 2.066 2.260 . 0 0 "[ . 1 . 2]" 1
910 1 126 LEU H 1 126 LEU HG 1.800 . 5.500 4.541 4.222 4.626 . 0 0 "[ . 1 . 2]" 1
911 1 126 LEU H 1 126 LEU MD1 1.800 . 4.300 3.826 3.188 4.275 . 0 0 "[ . 1 . 2]" 1
912 1 126 LEU H 1 126 LEU MD2 1.800 . 6.000 3.943 2.510 4.332 . 0 0 "[ . 1 . 2]" 1
913 1 126 LEU HA 1 126 LEU MD1 1.800 . 6.000 2.512 1.911 3.942 . 0 0 "[ . 1 . 2]" 1
914 1 126 LEU HA 1 126 LEU MD2 1.800 . 3.800 3.233 1.960 3.823 0.023 15 0 "[ . 1 . 2]" 1
915 1 127 LYS H 1 127 LYS QB 1.800 . 3.300 2.220 2.200 2.258 . 0 0 "[ . 1 . 2]" 1
916 1 127 LYS H 1 127 LYS HG3 1.800 . 5.000 4.392 4.338 4.454 . 0 0 "[ . 1 . 2]" 1
917 1 127 LYS H 1 127 LYS HG2 1.800 . 5.000 4.501 4.443 4.553 . 0 0 "[ . 1 . 2]" 1
918 1 127 LYS HA 1 127 LYS HG3 1.800 . 3.300 2.447 2.353 2.613 . 0 0 "[ . 1 . 2]" 1
919 1 127 LYS HA 1 127 LYS HG2 1.800 . 3.300 3.237 2.911 3.314 0.014 11 0 "[ . 1 . 2]" 1
920 1 127 LYS HA 1 127 LYS QD 1.800 . 5.300 3.845 3.724 4.066 . 0 0 "[ . 1 . 2]" 1
921 1 127 LYS HB3 1 127 LYS QD 1.800 . 5.300 2.679 2.283 3.049 . 0 0 "[ . 1 . 2]" 1
922 1 127 LYS HB2 1 127 LYS QD 1.800 . 5.300 2.231 2.102 2.451 . 0 0 "[ . 1 . 2]" 1
923 1 124 ALA MB 1 127 LYS QG 1.800 . 6.500 5.284 5.035 5.374 . 0 0 "[ . 1 . 2]" 1
924 1 124 ALA MB 1 127 LYS QD 1.800 . 6.500 4.467 3.804 4.917 . 0 0 "[ . 1 . 2]" 1
925 1 124 ALA HA 1 127 LYS QG 1.800 . 4.300 4.244 4.014 4.319 0.019 11 0 "[ . 1 . 2]" 1
926 1 123 ILE MD 1 127 LYS HA 1.800 . 5.000 4.907 2.525 5.047 0.047 1 0 "[ . 1 . 2]" 1
927 1 128 ARG H 1 128 ARG HB3 1.800 . 3.300 2.511 2.379 2.868 . 0 0 "[ . 1 . 2]" 1
928 1 128 ARG H 1 128 ARG HB2 1.800 . 3.300 2.560 2.238 2.727 . 0 0 "[ . 1 . 2]" 1
929 1 128 ARG H 1 128 ARG HG3 1.800 . 5.000 4.509 4.246 4.613 . 0 0 "[ . 1 . 2]" 1
930 1 128 ARG H 1 128 ARG HG2 1.800 . 5.000 4.426 4.350 4.657 . 0 0 "[ . 1 . 2]" 1
931 1 128 ARG HA 1 128 ARG HG3 1.800 . 3.300 2.830 2.142 3.351 0.051 17 0 "[ . 1 . 2]" 1
932 1 128 ARG HA 1 128 ARG HG2 1.800 . 3.300 2.959 2.484 3.430 0.130 17 0 "[ . 1 . 2]" 1
933 1 127 LYS HA 1 128 ARG H 1.800 . 5.000 3.530 3.525 3.535 . 0 0 "[ . 1 . 2]" 1
934 1 127 LYS HG3 1 128 ARG H 1.800 . 5.000 4.630 4.558 4.861 . 0 0 "[ . 1 . 2]" 1
935 1 127 LYS HG2 1 128 ARG H 1.800 . 5.000 3.833 3.578 3.932 . 0 0 "[ . 1 . 2]" 1
936 1 127 LYS QG 1 128 ARG HB3 1.800 . 5.500 5.520 5.511 5.525 0.025 7 0 "[ . 1 . 2]" 1
937 1 127 LYS QB 1 128 ARG HB3 1.800 . 5.500 4.655 4.425 5.093 . 0 0 "[ . 1 . 2]" 1
938 1 127 LYS QB 1 128 ARG HB2 1.800 . 5.500 4.013 3.910 4.133 . 0 0 "[ . 1 . 2]" 1
939 1 129 LEU H 1 129 LEU QB 1.800 . 3.300 2.955 2.038 3.372 0.072 14 0 "[ . 1 . 2]" 1
940 1 129 LEU H 1 129 LEU HG 1.800 . 5.500 3.536 2.355 4.458 . 0 0 "[ . 1 . 2]" 1
941 1 129 LEU H 1 129 LEU MD1 1.800 . 6.000 3.248 2.109 4.269 . 0 0 "[ . 1 . 2]" 1
942 1 129 LEU H 1 129 LEU MD2 1.800 . 6.000 3.691 2.370 4.558 . 0 0 "[ . 1 . 2]" 1
943 1 129 LEU HA 1 129 LEU HG 1.800 . 3.300 2.868 2.469 3.414 0.114 5 0 "[ . 1 . 2]" 1
944 1 129 LEU HA 1 129 LEU MD1 1.800 . 6.000 3.320 2.280 4.017 . 0 0 "[ . 1 . 2]" 1
945 1 126 LEU MD2 1 129 LEU H 1.800 . 6.000 5.165 3.785 6.025 0.025 5 0 "[ . 1 . 2]" 1
946 1 126 LEU MD2 1 129 LEU QD 1.800 . 8.000 3.958 1.901 5.585 . 0 0 "[ . 1 . 2]" 1
947 1 127 LYS HB3 1 129 LEU H 1.800 . 5.000 4.513 4.497 4.539 . 0 0 "[ . 1 . 2]" 1
948 1 127 LYS HB2 1 129 LEU H 1.800 . 5.000 5.145 5.134 5.164 0.164 18 0 "[ . 1 . 2]" 1
949 1 127 LYS QG 1 129 LEU H 1.800 . 5.500 4.674 4.524 4.747 . 0 0 "[ . 1 . 2]" 1
950 1 128 ARG QG 1 129 LEU H 1.800 . 5.500 4.258 4.015 4.656 . 0 0 "[ . 1 . 2]" 1
951 1 128 ARG HB3 1 129 LEU H 1.800 . 5.000 3.416 3.293 3.501 . 0 0 "[ . 1 . 2]" 1
952 1 128 ARG HB2 1 129 LEU H 1.800 . 5.000 4.267 4.023 4.387 . 0 0 "[ . 1 . 2]" 1
953 1 2 LYS QB 1 78 ARG HA 1.800 . 5.500 3.523 2.362 5.502 0.002 11 0 "[ . 1 . 2]" 1
954 1 2 LYS QB 1 78 ARG QB 1.800 . 6.000 4.458 3.494 6.002 0.002 11 0 "[ . 1 . 2]" 1
955 1 2 LYS QB 1 78 ARG QG 1.800 . 6.000 3.347 2.473 4.490 . 0 0 "[ . 1 . 2]" 1
956 1 3 LYS H 1 78 ARG QG 1.800 . 5.500 5.411 5.014 5.508 0.008 1 0 "[ . 1 . 2]" 1
957 1 3 LYS HA 1 78 ARG HA 1.800 . 5.000 4.065 3.557 4.788 . 0 0 "[ . 1 . 2]" 1
958 1 3 LYS HA 1 79 HIS H 1.800 . 3.800 2.445 2.173 2.833 . 0 0 "[ . 1 . 2]" 1
959 1 3 LYS HA 1 79 HIS QB 1.800 . 5.500 2.180 1.952 2.623 . 0 0 "[ . 1 . 2]" 1
960 1 3 LYS HB3 1 79 HIS H 1.800 . 5.000 4.148 3.478 5.017 0.017 15 0 "[ . 1 . 2]" 1
961 1 3 LYS HB2 1 79 HIS H 1.800 . 5.000 4.539 3.887 5.003 0.003 8 0 "[ . 1 . 2]" 1
962 1 3 LYS HA 1 80 ILE HA 1.800 . 5.000 4.920 4.188 5.032 0.032 9 0 "[ . 1 . 2]" 1
963 1 4 LEU H 1 79 HIS HA 1.800 . 5.000 4.725 4.549 5.028 0.028 20 0 "[ . 1 . 2]" 1
964 1 4 LEU H 1 79 HIS QB 1.800 . 5.500 3.114 2.728 3.762 . 0 0 "[ . 1 . 2]" 1
965 1 4 LEU QB 1 79 HIS H 1.800 . 5.500 5.453 5.045 5.522 0.022 16 0 "[ . 1 . 2]" 1
966 1 4 LEU QD 1 79 HIS H 1.800 . 6.500 4.246 3.526 4.585 . 0 0 "[ . 1 . 2]" 1
967 1 4 LEU HG 1 79 HIS H 1.800 . 5.000 4.596 3.856 4.966 . 0 0 "[ . 1 . 2]" 1
968 1 4 LEU H 1 80 ILE HA 1.800 . 5.000 3.256 2.428 3.504 . 0 0 "[ . 1 . 2]" 1
969 1 4 LEU QD 1 80 ILE MD 1.800 . 7.500 2.330 1.934 2.771 . 0 0 "[ . 1 . 2]" 1
970 1 4 LEU QD 1 80 ILE QG 1.800 . 6.500 2.205 1.796 3.398 0.004 16 0 "[ . 1 . 2]" 1
971 1 4 LEU H 1 81 THR H 1.800 . 5.000 4.181 3.868 4.657 . 0 0 "[ . 1 . 2]" 1
972 1 4 LEU MD1 1 81 THR H 1.800 . 6.000 3.025 2.572 3.360 . 0 0 "[ . 1 . 2]" 1
973 1 4 LEU HG 1 81 THR H 1.800 . 5.000 3.850 3.402 4.934 . 0 0 "[ . 1 . 2]" 1
974 1 5 GLN HB3 1 40 ILE MD 1.800 . 5.500 3.690 3.177 4.848 . 0 0 "[ . 1 . 2]" 1
975 1 5 GLN HB3 1 40 ILE MG 1.800 . 5.500 5.188 4.251 5.578 0.078 4 0 "[ . 1 . 2]" 1
976 1 5 GLN HB2 1 40 ILE MD 1.800 . 5.500 3.859 3.563 4.581 . 0 0 "[ . 1 . 2]" 1
977 1 5 GLN HB2 1 40 ILE MG 1.800 . 5.500 4.930 3.512 5.539 0.039 11 0 "[ . 1 . 2]" 1
978 1 5 GLN HB3 1 41 GLU HB3 1.800 . 5.000 3.594 3.512 3.879 . 0 0 "[ . 1 . 2]" 1
979 1 5 GLN HB3 1 41 GLU HB2 1.800 . 5.000 5.043 5.034 5.072 0.072 7 0 "[ . 1 . 2]" 1
980 1 5 GLN HB2 1 41 GLU HB3 1.800 . 5.000 1.998 1.836 2.347 . 0 0 "[ . 1 . 2]" 1
981 1 5 GLN HB2 1 41 GLU HB2 1.800 . 5.000 3.359 3.293 3.526 . 0 0 "[ . 1 . 2]" 1
982 1 5 GLN HA 1 81 THR H 1.800 . 5.000 2.423 2.203 2.832 . 0 0 "[ . 1 . 2]" 1
983 1 5 GLN QB 1 81 THR H 1.800 . 5.000 4.353 4.040 4.741 . 0 0 "[ . 1 . 2]" 1
984 1 5 GLN HA 1 80 ILE QG 1.800 . 5.000 4.554 4.198 5.040 0.040 20 0 "[ . 1 . 2]" 1
985 1 5 GLN QB 1 83 TRP HD1 1.800 . 5.000 5.047 5.012 5.067 0.067 20 0 "[ . 1 . 2]" 1
986 1 6 ILE HB 1 80 ILE MG 1.800 . 6.500 6.234 4.566 6.510 0.010 10 0 "[ . 1 . 2]" 1
987 1 6 ILE H 1 81 THR H 1.800 . 5.000 3.676 3.238 4.010 . 0 0 "[ . 1 . 2]" 1
988 1 6 ILE H 1 81 THR HB 1.800 . 5.000 2.874 2.515 3.496 . 0 0 "[ . 1 . 2]" 1
989 1 6 ILE H 1 82 LEU HA 1.800 . 5.000 3.289 2.923 3.677 . 0 0 "[ . 1 . 2]" 1
990 1 6 ILE MD 1 82 LEU MD1 1.800 . 6.000 4.057 1.798 6.005 0.005 15 0 "[ . 1 . 2]" 1
991 1 6 ILE H 1 83 TRP HD1 1.800 . 5.000 4.331 3.985 4.620 . 0 0 "[ . 1 . 2]" 1
992 1 6 ILE HB 1 83 TRP H 1.800 . 5.000 4.050 3.629 4.944 . 0 0 "[ . 1 . 2]" 1
993 1 6 ILE QG 1 83 TRP H 1.800 . 6.000 5.440 3.544 5.817 . 0 0 "[ . 1 . 2]" 1
994 1 6 ILE H 1 40 ILE MG 1.800 . 6.000 4.763 3.767 5.387 . 0 0 "[ . 1 . 2]" 1
995 1 6 ILE H 1 40 ILE MD 1.800 . 6.000 4.317 3.843 5.384 . 0 0 "[ . 1 . 2]" 1
996 1 6 ILE HA 1 40 ILE H 1.800 . 5.000 3.597 3.182 4.447 . 0 0 "[ . 1 . 2]" 1
997 1 6 ILE HA 1 40 ILE MG 1.800 . 4.300 2.975 2.233 3.802 . 0 0 "[ . 1 . 2]" 1
998 1 6 ILE MG 1 38 GLY H 1.800 . 6.000 4.644 4.272 5.220 . 0 0 "[ . 1 . 2]" 1
999 1 7 ALA H 1 38 GLY H 1.800 . 5.000 5.095 5.056 5.134 0.134 7 0 "[ . 1 . 2]" 1
1000 1 7 ALA MB 1 38 GLY H 1.800 . 6.000 5.628 4.982 5.858 . 0 0 "[ . 1 . 2]" 1
1001 1 7 ALA H 1 40 ILE H 1.800 . 5.000 3.397 2.849 4.008 . 0 0 "[ . 1 . 2]" 1
1002 1 7 ALA HA 1 40 ILE MD 1.800 . 6.000 3.612 3.427 4.042 . 0 0 "[ . 1 . 2]" 1
1003 1 7 ALA H 1 40 ILE MG 1.800 . 3.800 1.796 1.748 2.131 0.052 20 0 "[ . 1 . 2]" 1
1004 1 7 ALA H 1 40 ILE MD 1.800 . 6.000 3.563 3.350 4.097 . 0 0 "[ . 1 . 2]" 1
1005 1 7 ALA MB 1 40 ILE MG 1.800 . 4.800 1.769 1.712 1.829 0.088 16 0 "[ . 1 . 2]" 1
1006 1 7 ALA MB 1 40 ILE MD 1.800 . 7.000 1.757 1.684 1.790 0.116 9 0 "[ . 1 . 2]" 1
1007 1 7 ALA MB 1 40 ILE HB 1.800 . 6.000 2.700 2.351 3.066 . 0 0 "[ . 1 . 2]" 1
1008 1 7 ALA MB 1 40 ILE HA 1.800 . 4.300 4.434 4.364 4.493 0.193 12 0 "[ . 1 . 2]" 1
1009 1 7 ALA H 1 50 VAL MG1 1.800 . 6.000 5.349 4.611 6.064 0.064 7 0 "[ . 1 . 2]" 1
1010 1 7 ALA HA 1 82 LEU QD 1.800 . 7.000 4.328 3.022 5.729 . 0 0 "[ . 1 . 2]" 1
1011 1 7 ALA HA 1 83 TRP H 1.800 . 5.000 2.386 2.086 2.627 . 0 0 "[ . 1 . 2]" 1
1012 1 7 ALA MB 1 83 TRP H 1.800 . 6.000 3.749 3.361 4.071 . 0 0 "[ . 1 . 2]" 1
1013 1 7 ALA HA 1 83 TRP HB3 1.800 . 5.000 4.136 3.673 4.713 . 0 0 "[ . 1 . 2]" 1
1014 1 7 ALA HA 1 83 TRP HB2 1.800 . 5.000 2.506 2.050 3.148 . 0 0 "[ . 1 . 2]" 1
1015 1 7 ALA MB 1 83 TRP HB3 1.800 . 6.000 3.977 3.171 4.391 . 0 0 "[ . 1 . 2]" 1
1016 1 7 ALA MB 1 83 TRP HB2 1.800 . 6.000 2.629 1.872 3.101 . 0 0 "[ . 1 . 2]" 1
1017 1 8 VAL H 1 50 VAL MG1 1.800 . 6.000 4.886 3.894 5.815 . 0 0 "[ . 1 . 2]" 1
1018 1 8 VAL MG1 1 82 LEU MD1 1.800 . 4.300 3.582 1.787 4.325 0.025 15 0 "[ . 1 . 2]" 1
1019 1 8 VAL MG1 1 83 TRP H 1.800 . 6.000 3.556 3.123 3.915 . 0 0 "[ . 1 . 2]" 1
1020 1 8 VAL H 1 83 TRP HB3 1.800 . 5.500 4.698 4.093 5.415 . 0 0 "[ . 1 . 2]" 1
1021 1 8 VAL H 1 83 TRP HB2 1.800 . 5.500 3.455 2.957 3.977 . 0 0 "[ . 1 . 2]" 1
1022 1 8 VAL H 1 84 PHE QB 1.800 . 6.000 5.062 4.790 5.393 . 0 0 "[ . 1 . 2]" 1
1023 1 8 VAL MG1 1 84 PHE QD 1.800 . 7.100 2.710 1.911 3.926 . 0 0 "[ . 1 . 2]" 1
1024 1 8 VAL MG1 1 84 PHE QE 1.800 . 7.100 2.628 1.933 3.928 . 0 0 "[ . 1 . 2]" 1
1025 1 8 VAL MG1 1 37 GLY HA3 1.800 . 4.300 3.647 3.146 4.242 . 0 0 "[ . 1 . 2]" 1
1026 1 8 VAL MG1 1 37 GLY HA2 1.800 . 6.000 4.956 4.433 5.565 . 0 0 "[ . 1 . 2]" 1
1027 1 8 VAL MG2 1 37 GLY HA3 1.800 . 6.000 4.461 4.259 4.577 . 0 0 "[ . 1 . 2]" 1
1028 1 8 VAL MG2 1 37 GLY HA2 1.800 . 6.000 5.864 5.606 5.990 . 0 0 "[ . 1 . 2]" 1
1029 1 8 VAL H 1 85 TRP H 1.800 . 5.000 3.696 3.035 4.257 . 0 0 "[ . 1 . 2]" 1
1030 1 8 VAL H 1 85 TRP HD1 1.800 . 5.000 3.114 2.170 3.547 . 0 0 "[ . 1 . 2]" 1
1031 1 8 VAL MG1 1 85 TRP H 1.800 . 6.000 4.442 3.576 5.116 . 0 0 "[ . 1 . 2]" 1
1032 1 10 ILE MD 1 18 ILE MD 1.800 . 5.300 3.712 2.356 4.888 . 0 0 "[ . 1 . 2]" 1
1033 1 10 ILE HB 1 18 ILE MD 1.800 . 4.300 3.074 1.862 4.315 0.015 8 0 "[ . 1 . 2]" 1
1034 1 10 ILE MD 1 20 ILE MG 1.800 . 5.300 4.501 2.785 5.348 0.048 13 0 "[ . 1 . 2]" 1
1035 1 10 ILE MG 1 20 ILE MG 1.800 . 5.300 2.545 1.888 4.476 . 0 0 "[ . 1 . 2]" 1
1036 1 10 ILE H 1 85 TRP H 1.800 . 5.000 4.011 3.362 4.417 . 0 0 "[ . 1 . 2]" 1
1037 1 10 ILE H 1 86 LEU HA 1.800 . 5.000 3.781 3.615 3.883 . 0 0 "[ . 1 . 2]" 1
1038 1 10 ILE H 1 86 LEU QB 1.800 . 5.500 5.538 5.501 5.557 0.057 5 0 "[ . 1 . 2]" 1
1039 1 10 ILE H 1 87 VAL H 1.800 . 5.000 3.567 3.132 4.240 . 0 0 "[ . 1 . 2]" 1
1040 1 10 ILE H 1 87 VAL MG2 1.800 . 6.000 2.874 2.458 3.070 . 0 0 "[ . 1 . 2]" 1
1041 1 10 ILE HA 1 20 ILE HA 1.800 . 5.000 5.050 5.012 5.100 0.100 4 0 "[ . 1 . 2]" 1
1042 1 10 ILE HB 1 87 VAL H 1.800 . 5.000 3.342 2.685 4.310 . 0 0 "[ . 1 . 2]" 1
1043 1 10 ILE MD 1 87 VAL H 1.800 . 6.000 3.786 2.080 4.531 . 0 0 "[ . 1 . 2]" 1
1044 1 11 ILE MG 1 20 ILE MG 1.800 . 7.000 6.404 4.067 7.014 0.014 1 0 "[ . 1 . 2]" 1
1045 1 11 ILE MG 1 19 PHE H 1.800 . 6.000 4.289 2.350 5.094 . 0 0 "[ . 1 . 2]" 1
1046 1 11 ILE MD 1 63 GLN QB 1.800 . 6.000 5.999 5.752 6.123 0.123 19 0 "[ . 1 . 2]" 1
1047 1 11 ILE MD 1 87 VAL QG 1.800 . 6.000 1.988 1.749 2.712 0.051 18 0 "[ . 1 . 2]" 1
1048 1 11 ILE MD 1 19 PHE H 1.800 . 6.000 4.575 3.076 5.200 . 0 0 "[ . 1 . 2]" 1
1049 1 11 ILE HB 1 19 PHE H 1.800 . 5.000 3.154 2.580 4.968 . 0 0 "[ . 1 . 2]" 1
1050 1 11 ILE H 1 19 PHE QB 1.800 . 5.500 4.696 4.217 5.413 . 0 0 "[ . 1 . 2]" 1
1051 1 11 ILE HA 1 87 VAL H 1.800 . 5.000 4.204 4.044 4.491 . 0 0 "[ . 1 . 2]" 1
1052 1 11 ILE HA 1 87 VAL MG2 1.800 . 6.000 2.478 2.148 2.940 . 0 0 "[ . 1 . 2]" 1
1053 1 11 ILE MD 1 90 TRP HE3 1.800 . 6.000 1.930 1.768 2.750 0.032 14 0 "[ . 1 . 2]" 1
1054 1 11 ILE MD 1 95 TRP HA 1.800 . 6.000 6.055 6.004 6.126 0.126 15 0 "[ . 1 . 2]" 1
1055 1 12 ARG HG3 1 16 ASN HA 1.800 . 5.300 5.227 4.259 5.341 0.041 20 0 "[ . 1 . 2]" 1
1056 1 12 ARG HG2 1 16 ASN HA 1.800 . 5.300 4.830 4.407 5.327 0.027 14 0 "[ . 1 . 2]" 1
1057 1 12 ARG HA 1 18 ILE HA 1.800 . 3.800 2.473 1.788 3.131 0.012 19 0 "[ . 1 . 2]" 1
1058 1 12 ARG H 1 87 VAL H 1.800 . 5.000 4.500 4.214 4.826 . 0 0 "[ . 1 . 2]" 1
1059 1 12 ARG H 1 87 VAL MG2 1.800 . 5.000 3.761 3.536 4.269 . 0 0 "[ . 1 . 2]" 1
1060 1 12 ARG H 1 88 GLU HA 1.800 . 5.000 3.964 3.222 4.217 . 0 0 "[ . 1 . 2]" 1
1061 1 12 ARG H 1 90 TRP HE3 1.800 . 5.000 3.207 2.889 3.887 . 0 0 "[ . 1 . 2]" 1
1062 1 13 ASN H 1 90 TRP HE3 1.800 . 5.000 2.743 2.278 3.666 . 0 0 "[ . 1 . 2]" 1
1063 1 13 ASN H 1 18 ILE HA 1.800 . 5.000 2.861 2.315 3.571 . 0 0 "[ . 1 . 2]" 1
1064 1 13 ASN H 1 18 ILE HB 1.800 . 5.000 4.812 4.079 5.130 0.130 14 0 "[ . 1 . 2]" 1
1065 1 13 ASN H 1 18 ILE MD 1.800 . 6.000 4.964 2.498 6.069 0.069 18 0 "[ . 1 . 2]" 1
1066 1 13 ASN H 1 18 ILE MG 1.800 . 6.000 4.929 4.387 5.681 . 0 0 "[ . 1 . 2]" 1
1067 1 14 GLU HB3 1 104 TRP QB 1.800 . 6.000 6.093 6.057 6.148 0.148 18 0 "[ . 1 . 2]" 1
1068 1 17 GLU QB 1 105 MET H 1.800 . 5.500 3.269 2.597 3.793 . 0 0 "[ . 1 . 2]" 1
1069 1 17 GLU QG 1 105 MET H 1.800 . 5.500 4.925 3.388 5.540 0.040 7 0 "[ . 1 . 2]" 1
1070 1 17 GLU HA 1 106 SER HA 1.800 . 3.300 2.378 1.993 2.616 . 0 0 "[ . 1 . 2]" 1
1071 1 17 GLU HA 1 107 LEU H 1.800 . 5.000 2.574 2.047 2.968 . 0 0 "[ . 1 . 2]" 1
1072 1 17 GLU HB3 1 107 LEU H 1.800 . 5.000 4.003 3.289 4.718 . 0 0 "[ . 1 . 2]" 1
1073 1 17 GLU HB2 1 107 LEU H 1.800 . 5.000 4.805 3.875 5.066 0.066 7 0 "[ . 1 . 2]" 1
1074 1 17 GLU HB3 1 106 SER H 1.800 . 5.500 3.755 3.161 4.525 . 0 0 "[ . 1 . 2]" 1
1075 1 17 GLU HB2 1 106 SER H 1.800 . 5.500 4.643 3.317 5.372 . 0 0 "[ . 1 . 2]" 1
1076 1 17 GLU QB 1 106 SER HA 1.800 . 4.300 2.420 1.833 3.126 . 0 0 "[ . 1 . 2]" 1
1077 1 17 GLU QG 1 106 SER HA 1.800 . 5.500 3.423 1.841 4.963 . 0 0 "[ . 1 . 2]" 1
1078 1 18 ILE H 1 105 MET H 1.800 . 5.000 3.466 2.714 3.955 . 0 0 "[ . 1 . 2]" 1
1079 1 18 ILE H 1 105 MET HA 1.800 . 5.000 4.828 4.436 5.016 0.016 15 0 "[ . 1 . 2]" 1
1080 1 18 ILE H 1 106 SER HA 1.800 . 5.000 3.239 2.806 3.697 . 0 0 "[ . 1 . 2]" 1
1081 1 18 ILE H 1 90 TRP HH2 1.800 . 6.000 5.586 4.806 6.067 0.067 15 0 "[ . 1 . 2]" 1
1082 1 18 ILE HA 1 90 TRP HH2 1.800 . 6.000 3.826 3.060 4.391 . 0 0 "[ . 1 . 2]" 1
1083 1 18 ILE MG 1 90 TRP HZ3 1.800 . 6.000 4.679 3.545 5.794 . 0 0 "[ . 1 . 2]" 1
1084 1 19 PHE QB 1 94 PRO HB3 1.800 . 5.000 4.691 4.216 5.027 0.027 13 0 "[ . 1 . 2]" 1
1085 1 19 PHE QB 1 94 PRO HB2 1.800 . 5.000 4.313 3.388 4.947 . 0 0 "[ . 1 . 2]" 1
1086 1 19 PHE QE 1 96 GLY H 1.800 . 7.100 6.757 5.489 7.112 0.012 12 0 "[ . 1 . 2]" 1
1087 1 19 PHE QE 1 95 TRP H 1.800 . 7.100 5.393 4.370 5.925 . 0 0 "[ . 1 . 2]" 1
1088 1 19 PHE QE 1 102 GLY HA2 1.800 . 5.400 3.957 3.446 4.500 . 0 0 "[ . 1 . 2]" 1
1089 1 19 PHE QB 1 103 GLU H 1.800 . 5.500 4.691 3.647 5.498 . 0 0 "[ . 1 . 2]" 1
1090 1 19 PHE QE 1 103 GLU H 1.800 . 7.100 4.120 3.644 4.850 . 0 0 "[ . 1 . 2]" 1
1091 1 19 PHE QD 1 104 TRP HE1 1.800 . 7.100 4.262 3.075 5.874 . 0 0 "[ . 1 . 2]" 1
1092 1 19 PHE HA 1 104 TRP HA 1.800 . 5.000 2.565 2.256 3.119 . 0 0 "[ . 1 . 2]" 1
1093 1 19 PHE H 1 104 TRP HD1 1.800 . 5.000 4.847 4.430 5.024 0.024 20 0 "[ . 1 . 2]" 1
1094 1 20 ILE H 1 105 MET H 1.800 . 5.000 3.681 3.334 3.968 . 0 0 "[ . 1 . 2]" 1
1095 1 20 ILE MD 1 105 MET QB 1.800 . 6.500 3.320 2.051 4.135 . 0 0 "[ . 1 . 2]" 1
1096 1 20 ILE QG 1 105 MET QB 1.800 . 5.500 3.757 2.437 5.371 . 0 0 "[ . 1 . 2]" 1
1097 1 20 ILE H 1 104 TRP HA 1.800 . 5.000 4.381 3.969 4.680 . 0 0 "[ . 1 . 2]" 1
1098 1 20 ILE MG 1 33 LEU MD2 1.800 . 6.000 3.259 1.870 5.173 . 0 0 "[ . 1 . 2]" 1
1099 1 20 ILE MG 1 33 LEU MD1 1.800 . 7.000 4.272 2.943 5.166 . 0 0 "[ . 1 . 2]" 1
1100 1 20 ILE HB 1 34 GLU HA 1.800 . 5.000 4.999 4.872 5.044 0.044 14 0 "[ . 1 . 2]" 1
1101 1 20 ILE HB 1 34 GLU H 1.800 . 5.000 5.005 4.892 5.031 0.031 20 0 "[ . 1 . 2]" 1
1102 1 20 ILE MD 1 34 GLU HA 1.800 . 6.000 5.377 4.847 6.020 0.020 7 0 "[ . 1 . 2]" 1
1103 1 20 ILE QG 1 33 LEU MD1 1.800 . 7.000 4.078 3.162 5.186 . 0 0 "[ . 1 . 2]" 1
1104 1 20 ILE QG 1 33 LEU MD2 1.800 . 7.000 3.524 2.673 4.924 . 0 0 "[ . 1 . 2]" 1
1105 1 20 ILE MD 1 103 GLU H 1.800 . 6.000 5.585 4.183 6.023 0.023 15 0 "[ . 1 . 2]" 1
1106 1 21 THR H 1 34 GLU H 1.800 . 5.000 4.262 3.416 5.016 0.016 18 0 "[ . 1 . 2]" 1
1107 1 21 THR MG 1 34 GLU H 1.800 . 6.000 3.782 1.937 5.656 . 0 0 "[ . 1 . 2]" 1
1108 1 21 THR HA 1 102 GLY HA3 1.800 . 5.000 2.807 2.171 3.297 . 0 0 "[ . 1 . 2]" 1
1109 1 21 THR HA 1 102 GLY HA2 1.800 . 5.000 2.882 2.077 3.470 . 0 0 "[ . 1 . 2]" 1
1110 1 21 THR MG 1 102 GLY HA3 1.800 . 6.000 4.057 2.586 5.231 . 0 0 "[ . 1 . 2]" 1
1111 1 21 THR MG 1 102 GLY HA2 1.800 . 6.000 4.738 3.498 5.814 . 0 0 "[ . 1 . 2]" 1
1112 1 21 THR HB 1 102 GLY HA3 1.800 . 5.000 4.522 3.841 5.010 0.010 2 0 "[ . 1 . 2]" 1
1113 1 21 THR HB 1 102 GLY HA2 1.800 . 5.000 4.734 4.084 5.021 0.021 18 0 "[ . 1 . 2]" 1
1114 1 22 ARG H 1 33 LEU HA 1.800 . 5.000 4.797 4.472 5.010 0.010 6 0 "[ . 1 . 2]" 1
1115 1 22 ARG HA 1 33 LEU HA 1.800 . 5.000 2.443 1.918 3.160 . 0 0 "[ . 1 . 2]" 1
1116 1 22 ARG HA 1 33 LEU MD2 1.800 . 6.000 3.454 2.481 4.562 . 0 0 "[ . 1 . 2]" 1
1117 1 22 ARG QD 1 114 ASP HB3 1.800 . 6.000 4.994 3.395 6.010 0.010 10 0 "[ . 1 . 2]" 1
1118 1 22 ARG QD 1 114 ASP HB2 1.800 . 6.000 5.312 3.470 6.011 0.011 15 0 "[ . 1 . 2]" 1
1119 1 23 ARG H 1 33 LEU HA 1.800 . 5.000 3.321 2.514 4.054 . 0 0 "[ . 1 . 2]" 1
1120 1 23 ARG H 1 33 LEU HB3 1.800 . 5.500 5.465 5.100 5.571 0.071 18 0 "[ . 1 . 2]" 1
1121 1 23 ARG H 1 33 LEU HB2 1.800 . 5.500 4.078 3.643 4.828 . 0 0 "[ . 1 . 2]" 1
1122 1 23 ARG H 1 33 LEU MD1 1.800 . 6.500 4.480 3.416 5.671 . 0 0 "[ . 1 . 2]" 1
1123 1 23 ARG H 1 33 LEU MD2 1.800 . 6.500 4.890 4.095 5.502 . 0 0 "[ . 1 . 2]" 1
1124 1 23 ARG HB3 1 24 ALA MB 1.800 . 5.000 4.543 3.804 5.100 0.100 20 0 "[ . 1 . 2]" 1
1125 1 23 ARG HB2 1 24 ALA MB 1.800 . 5.000 4.834 3.627 5.126 0.126 12 0 "[ . 1 . 2]" 1
1126 1 24 ALA MB 1 101 PRO HG3 1.800 . 6.000 5.585 4.580 6.010 0.010 20 0 "[ . 1 . 2]" 1
1127 1 24 ALA MB 1 101 PRO HG2 1.800 . 6.000 4.582 3.137 5.348 . 0 0 "[ . 1 . 2]" 1
1128 1 30 ALA MB 1 114 ASP HB3 1.800 . 6.500 5.407 4.509 5.841 . 0 0 "[ . 1 . 2]" 1
1129 1 30 ALA MB 1 114 ASP HB2 1.800 . 6.500 6.110 5.351 6.509 0.009 4 0 "[ . 1 . 2]" 1
1130 1 32 LYS QB 1 115 PHE QB 1.800 . 6.000 6.044 6.015 6.082 0.082 16 0 "[ . 1 . 2]" 1
1131 1 32 LYS QG 1 115 PHE QB 1.800 . 6.000 5.986 5.790 6.022 0.022 8 0 "[ . 1 . 2]" 1
1132 1 33 LEU QB 1 107 LEU QD 1.800 . 6.500 6.455 5.953 6.534 0.034 19 0 "[ . 1 . 2]" 1
1133 1 33 LEU QD 1 110 LEU QD 1.800 . 8.000 3.028 2.542 3.843 . 0 0 "[ . 1 . 2]" 1
1134 1 33 LEU H 1 115 PHE HA 1.800 . 5.000 2.308 1.896 3.043 . 0 0 "[ . 1 . 2]" 1
1135 1 33 LEU H 1 115 PHE QB 1.800 . 5.500 4.047 3.625 4.687 . 0 0 "[ . 1 . 2]" 1
1136 1 33 LEU HB3 1 115 PHE H 1.800 . 5.000 3.265 3.005 3.615 . 0 0 "[ . 1 . 2]" 1
1137 1 33 LEU HB2 1 115 PHE H 1.800 . 5.000 4.244 3.666 4.847 . 0 0 "[ . 1 . 2]" 1
1138 1 33 LEU QD 1 115 PHE H 1.800 . 6.000 3.730 3.288 4.217 . 0 0 "[ . 1 . 2]" 1
1139 1 33 LEU H 1 114 ASP HA 1.800 . 5.000 4.329 3.967 4.994 . 0 0 "[ . 1 . 2]" 1
1140 1 33 LEU H 1 114 ASP QB 1.800 . 5.000 3.774 3.325 3.958 . 0 0 "[ . 1 . 2]" 1
1141 1 33 LEU QB 1 114 ASP H 1.800 . 5.000 4.546 4.148 4.833 . 0 0 "[ . 1 . 2]" 1
1142 1 33 LEU QD 1 114 ASP H 1.800 . 5.000 4.238 3.706 4.795 . 0 0 "[ . 1 . 2]" 1
1143 1 33 LEU HG 1 114 ASP HB3 1.800 . 5.000 4.452 3.459 5.036 0.036 4 0 "[ . 1 . 2]" 1
1144 1 33 LEU HG 1 114 ASP HB2 1.800 . 5.000 4.429 3.858 5.037 0.037 12 0 "[ . 1 . 2]" 1
1145 1 34 GLU HA 1 115 PHE HA 1.800 . 5.000 4.477 3.938 4.869 . 0 0 "[ . 1 . 2]" 1
1146 1 35 PHE QD 1 84 PHE QD 1.800 . 7.500 4.842 4.215 5.600 . 0 0 "[ . 1 . 2]" 1
1147 1 35 PHE QD 1 123 ILE MD 1.800 . 6.400 4.688 3.965 6.365 . 0 0 "[ . 1 . 2]" 1
1148 1 35 PHE QE 1 123 ILE MD 1.800 . 5.000 2.848 1.922 4.535 . 0 0 "[ . 1 . 2]" 1
1149 1 36 PRO HB3 1 54 LEU MD1 1.800 . 6.000 5.959 5.660 6.050 0.050 16 0 "[ . 1 . 2]" 1
1150 1 36 PRO HB2 1 54 LEU MD1 1.800 . 6.000 4.544 4.303 4.805 . 0 0 "[ . 1 . 2]" 1
1151 1 36 PRO HB3 1 98 GLU HB3 1.800 . 5.000 2.473 1.989 3.164 . 0 0 "[ . 1 . 2]" 1
1152 1 36 PRO HB2 1 98 GLU HB3 1.800 . 5.000 3.737 3.381 4.395 . 0 0 "[ . 1 . 2]" 1
1153 1 36 PRO HB3 1 98 GLU HB2 1.800 . 5.000 3.672 3.255 4.220 . 0 0 "[ . 1 . 2]" 1
1154 1 36 PRO HB2 1 98 GLU HB2 1.800 . 5.000 4.950 4.603 5.029 0.029 12 0 "[ . 1 . 2]" 1
1155 1 38 GLY H 1 98 GLU QB 1.800 . 5.500 4.677 3.569 5.290 . 0 0 "[ . 1 . 2]" 1
1156 1 38 GLY HA3 1 98 GLU HA 1.800 . 5.500 5.546 5.510 5.589 0.089 12 0 "[ . 1 . 2]" 1
1157 1 42 MET QB 1 52 ARG QB 1.800 . 6.000 5.714 5.380 6.031 0.031 20 0 "[ . 1 . 2]" 1
1158 1 42 MET QB 1 49 ALA HA 1.800 . 5.500 5.269 4.633 5.515 0.015 17 0 "[ . 1 . 2]" 1
1159 1 40 ILE MD 1 45 THR H 1.800 . 6.000 5.834 5.355 6.031 0.031 18 0 "[ . 1 . 2]" 1
1160 1 45 THR MG 1 47 GLU H 1.800 . 6.000 3.480 3.345 3.597 . 0 0 "[ . 1 . 2]" 1
1161 1 45 THR H 1 48 GLN H 1.800 . 3.300 3.372 3.338 3.409 0.109 13 0 "[ . 1 . 2]" 1
1162 1 45 THR HB 1 48 GLN H 1.800 . 5.000 2.563 2.229 2.961 . 0 0 "[ . 1 . 2]" 1
1163 1 45 THR MG 1 48 GLN H 1.800 . 6.000 4.181 3.914 4.496 . 0 0 "[ . 1 . 2]" 1
1164 1 45 THR HA 1 49 ALA H 1.800 . 5.000 4.628 4.382 4.786 . 0 0 "[ . 1 . 2]" 1
1165 1 40 ILE MD 1 49 ALA H 1.800 . 6.000 4.033 3.815 4.250 . 0 0 "[ . 1 . 2]" 1
1166 1 40 ILE MD 1 49 ALA HA 1.800 . 6.000 3.627 3.360 4.131 . 0 0 "[ . 1 . 2]" 1
1167 1 9 GLY HA2 1 50 VAL MG2 1.800 . 6.000 5.775 5.236 6.035 0.035 19 0 "[ . 1 . 2]" 1
1168 1 40 ILE HB 1 50 VAL MG2 1.800 . 6.000 4.773 3.372 5.506 . 0 0 "[ . 1 . 2]" 1
1169 1 40 ILE MG 1 50 VAL MG2 1.800 . 4.800 4.210 2.792 4.814 0.014 20 0 "[ . 1 . 2]" 1
1170 1 50 VAL MG2 1 54 LEU MD2 1.800 . 7.000 3.044 2.009 3.945 . 0 0 "[ . 1 . 2]" 1
1171 1 50 VAL MG2 1 85 TRP QB 1.800 . 4.800 3.739 3.378 4.106 . 0 0 "[ . 1 . 2]" 1
1172 1 50 VAL MG2 1 85 TRP HD1 1.800 . 4.800 3.738 2.476 4.699 . 0 0 "[ . 1 . 2]" 1
1173 1 50 VAL MG1 1 85 TRP HE3 1.800 . 4.800 4.752 4.183 4.823 0.023 7 0 "[ . 1 . 2]" 1
1174 1 50 VAL MG1 1 85 TRP H 1.800 . 6.000 5.578 4.862 6.030 0.030 18 0 "[ . 1 . 2]" 1
1175 1 50 VAL MG2 1 65 PHE QD 1.800 . 5.400 4.545 3.615 5.405 0.005 9 0 "[ . 1 . 2]" 1
1176 1 50 VAL MG1 1 85 TRP HD1 1.800 . 7.100 3.636 2.931 4.438 . 0 0 "[ . 1 . 2]" 1
1177 1 7 ALA MB 1 50 VAL MG1 1.800 . 4.800 2.357 1.765 3.045 0.035 11 0 "[ . 1 . 2]" 1
1178 1 48 GLN HA 1 51 VAL MG1 1.800 . 6.000 3.677 3.509 3.753 . 0 0 "[ . 1 . 2]" 1
1179 1 51 VAL MG1 1 65 PHE QE 1.800 . 6.900 3.820 2.988 4.714 . 0 0 "[ . 1 . 2]" 1
1180 1 51 VAL MG2 1 65 PHE QE 1.800 . 6.900 2.436 1.805 3.890 . 0 0 "[ . 1 . 2]" 1
1181 1 51 VAL MG1 1 65 PHE HZ 1.800 . 4.800 4.786 4.434 4.827 0.027 8 0 "[ . 1 . 2]" 1
1182 1 51 VAL MG2 1 65 PHE HZ 1.800 . 4.800 3.417 2.614 3.690 . 0 0 "[ . 1 . 2]" 1
1183 1 54 LEU MD2 1 60 ILE MD 1.800 . 7.000 6.344 5.143 7.076 0.076 10 0 "[ . 1 . 2]" 1
1184 1 54 LEU MD2 1 65 PHE HB3 1.800 . 6.000 5.980 5.620 6.052 0.052 4 0 "[ . 1 . 2]" 1
1185 1 54 LEU MD2 1 65 PHE HB2 1.800 . 6.000 4.950 4.261 5.319 . 0 0 "[ . 1 . 2]" 1
1186 1 54 LEU MD2 1 65 PHE QD 1.800 . 5.400 3.913 3.262 4.948 . 0 0 "[ . 1 . 2]" 1
1187 1 54 LEU MD1 1 65 PHE QD 1.800 . 7.100 5.221 4.039 6.282 . 0 0 "[ . 1 . 2]" 1
1188 1 55 GLN HA 1 60 ILE H 1.800 . 5.000 4.396 3.916 5.015 0.015 12 0 "[ . 1 . 2]" 1
1189 1 58 VAL QG 1 93 GLU QG 1.800 . 7.500 6.639 5.408 7.186 . 0 0 "[ . 1 . 2]" 1
1190 1 58 VAL H 1 95 TRP HE3 1.800 . 5.500 5.667 5.645 5.688 0.188 7 0 "[ . 1 . 2]" 1
1191 1 58 VAL MG1 1 95 TRP H 1.800 . 7.000 3.440 2.800 4.330 . 0 0 "[ . 1 . 2]" 1
1192 1 58 VAL MG2 1 95 TRP H 1.800 . 7.000 4.798 3.611 5.643 . 0 0 "[ . 1 . 2]" 1
1193 1 59 GLY HA3 1 95 TRP HE1 1.800 . 5.000 3.733 3.548 3.881 . 0 0 "[ . 1 . 2]" 1
1194 1 59 GLY HA2 1 95 TRP HE1 1.800 . 5.000 4.801 4.478 5.015 0.015 15 0 "[ . 1 . 2]" 1
1195 1 60 ILE HB 1 90 TRP HD1 1.800 . 5.000 4.446 3.707 5.084 0.084 15 0 "[ . 1 . 2]" 1
1196 1 60 ILE MD 1 91 GLU H 1.800 . 6.000 3.554 1.986 4.281 . 0 0 "[ . 1 . 2]" 1
1197 1 60 ILE HB 1 91 GLU H 1.800 . 5.000 3.949 3.303 5.082 0.082 10 0 "[ . 1 . 2]" 1
1198 1 60 ILE MG 1 93 GLU H 1.800 . 6.000 2.661 2.107 4.967 . 0 0 "[ . 1 . 2]" 1
1199 1 60 ILE MG 1 93 GLU HG3 1.800 . 6.000 5.517 4.900 6.037 0.037 10 0 "[ . 1 . 2]" 1
1200 1 60 ILE MG 1 93 GLU HG2 1.800 . 6.000 5.736 4.903 6.012 0.012 12 0 "[ . 1 . 2]" 1
1201 1 60 ILE MG 1 93 GLU HA 1.800 . 6.000 4.335 3.609 4.936 . 0 0 "[ . 1 . 2]" 1
1202 1 60 ILE HB 1 93 GLU H 1.800 . 5.000 4.749 4.182 5.018 0.018 17 0 "[ . 1 . 2]" 1
1203 1 60 ILE MD 1 95 TRP H 1.800 . 6.000 3.457 2.541 4.489 . 0 0 "[ . 1 . 2]" 1
1204 1 61 THR MG 1 95 TRP HE1 1.800 . 6.000 6.094 6.046 6.119 0.119 3 0 "[ . 1 . 2]" 1
1205 1 61 THR H 1 91 GLU H 1.800 . 5.000 4.003 3.117 4.477 . 0 0 "[ . 1 . 2]" 1
1206 1 61 THR MG 1 91 GLU H 1.800 . 6.000 5.250 2.801 5.941 . 0 0 "[ . 1 . 2]" 1
1207 1 61 THR HB 1 91 GLU H 1.800 . 5.000 5.095 5.032 5.171 0.171 8 0 "[ . 1 . 2]" 1
1208 1 61 THR HB 1 91 GLU QG 1.800 . 5.500 5.133 3.751 5.514 0.014 14 0 "[ . 1 . 2]" 1
1209 1 61 THR HB 1 91 GLU QB 1.800 . 5.500 3.892 3.564 4.087 . 0 0 "[ . 1 . 2]" 1
1210 1 62 PRO HA 1 90 TRP HA 1.800 . 5.000 1.844 1.703 1.924 0.097 8 0 "[ . 1 . 2]" 1
1211 1 62 PRO HA 1 90 TRP HB3 1.800 . 5.000 4.141 3.709 4.410 . 0 0 "[ . 1 . 2]" 1
1212 1 62 PRO HA 1 90 TRP HB2 1.800 . 5.000 3.672 3.053 3.941 . 0 0 "[ . 1 . 2]" 1
1213 1 62 PRO QB 1 90 TRP QB 1.800 . 5.000 1.815 1.744 2.025 0.056 15 0 "[ . 1 . 2]" 1
1214 1 62 PRO QG 1 90 TRP QB 1.800 . 5.000 3.238 3.065 3.472 . 0 0 "[ . 1 . 2]" 1
1215 1 62 PRO HA 1 91 GLU H 1.800 . 5.000 2.279 1.902 2.965 . 0 0 "[ . 1 . 2]" 1
1216 1 63 GLN QG 1 90 TRP HA 1.800 . 5.500 4.715 3.950 5.301 . 0 0 "[ . 1 . 2]" 1
1217 1 63 GLN H 1 90 TRP HA 1.800 . 5.000 3.032 2.293 3.641 . 0 0 "[ . 1 . 2]" 1
1218 1 63 GLN H 1 91 GLU H 1.800 . 5.000 4.144 3.502 4.892 . 0 0 "[ . 1 . 2]" 1
1219 1 63 GLN HA 1 89 ARG H 1.800 . 5.000 4.958 4.514 5.101 0.101 19 0 "[ . 1 . 2]" 1
1220 1 63 GLN QB 1 89 ARG H 1.800 . 5.000 3.337 2.721 4.342 . 0 0 "[ . 1 . 2]" 1
1221 1 63 GLN QG 1 89 ARG H 1.800 . 5.500 4.713 2.380 5.461 . 0 0 "[ . 1 . 2]" 1
1222 1 64 HIS QB 1 89 ARG QG 1.800 . 5.500 5.370 4.853 5.547 0.047 2 0 "[ . 1 . 2]" 1
1223 1 64 HIS H 1 89 ARG H 1.800 . 5.000 4.743 4.553 5.037 0.037 4 0 "[ . 1 . 2]" 1
1224 1 64 HIS HB3 1 89 ARG H 1.800 . 5.000 5.073 4.657 5.188 0.188 18 0 "[ . 1 . 2]" 1
1225 1 64 HIS HB3 1 88 GLU H 1.800 . 5.000 5.028 4.457 5.145 0.145 12 0 "[ . 1 . 2]" 1
1226 1 64 HIS HB2 1 88 GLU H 1.800 . 5.000 4.079 3.654 5.028 0.028 19 0 "[ . 1 . 2]" 1
1227 1 65 PHE QD 1 85 TRP HE3 1.800 . 5.400 3.796 2.352 5.406 0.006 7 0 "[ . 1 . 2]" 1
1228 1 65 PHE QD 1 85 TRP HZ3 1.800 . 7.100 3.949 1.978 6.032 . 0 0 "[ . 1 . 2]" 1
1229 1 65 PHE QE 1 85 TRP HE3 1.800 . 7.100 4.539 3.348 5.745 . 0 0 "[ . 1 . 2]" 1
1230 1 65 PHE QB 1 88 GLU H 1.800 . 5.000 5.086 5.021 5.132 0.132 14 0 "[ . 1 . 2]" 1
1231 1 65 PHE HA 1 87 VAL HA 1.800 . 5.000 4.556 3.841 4.829 . 0 0 "[ . 1 . 2]" 1
1232 1 65 PHE HB3 1 87 VAL HA 1.800 . 5.500 5.240 5.095 5.379 . 0 0 "[ . 1 . 2]" 1
1233 1 65 PHE HB2 1 87 VAL HA 1.800 . 5.500 5.249 5.133 5.405 . 0 0 "[ . 1 . 2]" 1
1234 1 65 PHE HB3 1 87 VAL MG2 1.800 . 6.000 6.037 5.888 6.223 0.223 19 0 "[ . 1 . 2]" 1
1235 1 65 PHE HB2 1 87 VAL MG2 1.800 . 6.000 5.798 5.632 6.029 0.029 19 0 "[ . 1 . 2]" 1
1236 1 66 SER H 1 86 LEU H 1.800 . 5.000 5.049 5.004 5.096 0.096 16 0 "[ . 1 . 2]" 1
1237 1 66 SER HA 1 86 LEU H 1.800 . 5.000 4.443 4.372 4.862 . 0 0 "[ . 1 . 2]" 1
1238 1 66 SER H 1 87 VAL MG2 1.800 . 6.000 6.063 5.189 6.167 0.167 17 0 "[ . 1 . 2]" 1
1239 1 67 LEU MD2 1 83 TRP HA 1.800 . 6.000 5.863 4.704 6.022 0.022 10 0 "[ . 1 . 2]" 1
1240 1 67 LEU MD2 1 84 PHE H 1.800 . 6.000 5.113 4.187 5.806 . 0 0 "[ . 1 . 2]" 1
1241 1 67 LEU H 1 85 TRP HE3 1.800 . 5.000 4.559 3.783 5.010 0.010 17 0 "[ . 1 . 2]" 1
1242 1 67 LEU HA 1 86 LEU H 1.800 . 5.000 2.342 1.900 2.586 . 0 0 "[ . 1 . 2]" 1
1243 1 68 PHE H 1 85 TRP HA 1.800 . 5.000 2.305 2.012 2.868 . 0 0 "[ . 1 . 2]" 1
1244 1 68 PHE QD 1 85 TRP HA 1.800 . 7.100 4.539 3.965 4.948 . 0 0 "[ . 1 . 2]" 1
1245 1 68 PHE H 1 86 LEU H 1.800 . 5.000 2.576 2.397 3.005 . 0 0 "[ . 1 . 2]" 1
1246 1 68 PHE H 1 86 LEU MD2 1.800 . 7.000 4.638 3.909 5.340 . 0 0 "[ . 1 . 2]" 1
1247 1 68 PHE QD 1 86 LEU MD2 1.800 . 7.100 4.280 3.162 4.897 . 0 0 "[ . 1 . 2]" 1
1248 1 68 PHE QE 1 86 LEU MD2 1.800 . 7.100 6.014 4.816 6.693 . 0 0 "[ . 1 . 2]" 1
1249 1 68 PHE QD 1 122 VAL MG1 1.800 . 5.000 3.761 3.442 4.112 . 0 0 "[ . 1 . 2]" 1
1250 1 68 PHE QE 1 122 VAL MG1 1.800 . 5.000 2.044 1.801 2.377 . 0 0 "[ . 1 . 2]" 1
1251 1 68 PHE QE 1 123 ILE MD 1.800 . 5.400 4.519 4.191 4.754 . 0 0 "[ . 1 . 2]" 1
1252 1 68 PHE HZ 1 126 LEU H 1.800 . 5.000 3.456 2.788 3.960 . 0 0 "[ . 1 . 2]" 1
1253 1 68 PHE HZ 1 126 LEU MD2 1.800 . 3.800 3.567 2.791 3.812 0.012 10 0 "[ . 1 . 2]" 1
1254 1 68 PHE HZ 1 126 LEU MD1 1.800 . 6.000 4.191 3.292 5.001 . 0 0 "[ . 1 . 2]" 1
1255 1 69 GLU H 1 84 PHE H 1.800 . 5.000 3.855 3.567 4.046 . 0 0 "[ . 1 . 2]" 1
1256 1 69 GLU H 1 85 TRP HA 1.800 . 5.000 3.920 3.395 4.542 . 0 0 "[ . 1 . 2]" 1
1257 1 69 GLU H 1 84 PHE HB3 1.800 . 3.800 3.565 3.219 3.802 0.002 13 0 "[ . 1 . 2]" 1
1258 1 69 GLU H 1 84 PHE HB2 1.800 . 3.800 2.963 2.528 3.251 . 0 0 "[ . 1 . 2]" 1
1259 1 70 LYS HA 1 84 PHE HA 1.800 . 5.000 5.048 5.026 5.084 0.084 20 0 "[ . 1 . 2]" 1
1260 1 71 LEU QD 1 80 ILE HB 1.800 . 7.000 6.663 5.625 7.010 0.010 20 0 "[ . 1 . 2]" 1
1261 1 71 LEU H 1 82 LEU QB 1.800 . 5.500 3.565 2.463 4.440 . 0 0 "[ . 1 . 2]" 1
1262 1 71 LEU H 1 82 LEU QD 1.800 . 7.000 4.221 2.132 5.026 . 0 0 "[ . 1 . 2]" 1
1263 1 71 LEU H 1 83 TRP HA 1.800 . 5.000 3.104 2.830 3.388 . 0 0 "[ . 1 . 2]" 1
1264 1 71 LEU QD 1 83 TRP H 1.800 . 7.000 5.953 4.227 6.685 . 0 0 "[ . 1 . 2]" 1
1265 1 71 LEU H 1 84 PHE H 1.800 . 5.000 3.825 3.539 4.228 . 0 0 "[ . 1 . 2]" 1
1266 1 71 LEU H 1 84 PHE QD 1.800 . 7.100 4.266 3.277 5.409 . 0 0 "[ . 1 . 2]" 1
1267 1 71 LEU MD1 1 84 PHE HZ 1.800 . 7.100 6.615 4.242 7.106 0.006 6 0 "[ . 1 . 2]" 1
1268 1 71 LEU MD2 1 84 PHE HZ 1.800 . 7.100 4.933 4.231 6.714 . 0 0 "[ . 1 . 2]" 1
1269 1 71 LEU MD1 1 84 PHE QE 1.800 . 6.400 5.823 3.181 6.408 0.008 3 0 "[ . 1 . 2]" 1
1270 1 71 LEU MD2 1 84 PHE QE 1.800 . 6.400 4.417 2.984 5.874 . 0 0 "[ . 1 . 2]" 1
1271 1 71 LEU QD 1 121 PRO QB 1.800 . 6.500 2.494 1.833 4.539 . 0 0 "[ . 1 . 2]" 1
1272 1 71 LEU QD 1 121 PRO QG 1.800 . 6.500 2.947 2.423 4.486 . 0 0 "[ . 1 . 2]" 1
1273 1 72 GLU HA 1 81 THR HA 1.800 . 2.800 2.601 2.299 2.802 0.002 17 0 "[ . 1 . 2]" 1
1274 1 72 GLU QG 1 81 THR MG 1.800 . 7.000 2.664 1.941 3.724 . 0 0 "[ . 1 . 2]" 1
1275 1 72 GLU QB 1 81 THR MG 1.800 . 7.000 2.426 1.812 2.802 . 0 0 "[ . 1 . 2]" 1
1276 1 72 GLU HA 1 81 THR MG 1.800 . 5.000 2.734 2.129 3.167 . 0 0 "[ . 1 . 2]" 1
1277 1 72 GLU H 1 82 LEU H 1.800 . 5.000 4.925 4.688 5.020 0.020 4 0 "[ . 1 . 2]" 1
1278 1 73 TYR H 1 80 ILE H 1.800 . 5.000 4.562 4.061 4.957 . 0 0 "[ . 1 . 2]" 1
1279 1 73 TYR H 1 80 ILE MD 1.800 . 6.000 5.824 4.197 6.009 0.009 11 0 "[ . 1 . 2]" 1
1280 1 73 TYR QB 1 80 ILE H 1.800 . 5.500 4.847 4.313 5.526 0.026 18 0 "[ . 1 . 2]" 1
1281 1 73 TYR QD 1 80 ILE MD 1.800 . 8.100 5.213 3.075 6.012 . 0 0 "[ . 1 . 2]" 1
1282 1 73 TYR H 1 81 THR HA 1.800 . 5.000 3.069 2.793 3.320 . 0 0 "[ . 1 . 2]" 1
1283 1 73 TYR H 1 81 THR MG 1.800 . 5.000 3.872 2.992 4.566 . 0 0 "[ . 1 . 2]" 1
1284 1 73 TYR QD 1 81 THR MG 1.800 . 8.100 6.523 4.706 7.369 . 0 0 "[ . 1 . 2]" 1
1285 1 73 TYR H 1 82 LEU H 1.800 . 5.000 3.977 3.743 4.233 . 0 0 "[ . 1 . 2]" 1
1286 1 74 GLU HB3 1 79 HIS H 1.800 . 5.000 5.020 5.013 5.029 0.029 18 0 "[ . 1 . 2]" 1
1287 1 74 GLU HB2 1 79 HIS H 1.800 . 5.000 4.774 4.075 5.003 0.003 19 0 "[ . 1 . 2]" 1
1288 1 74 GLU QG 1 79 HIS H 1.800 . 7.100 6.436 5.872 6.593 . 0 0 "[ . 1 . 2]" 1
1289 1 74 GLU HB3 1 79 HIS QB 1.800 . 5.500 3.390 2.314 3.789 . 0 0 "[ . 1 . 2]" 1
1290 1 74 GLU HB2 1 79 HIS QB 1.800 . 5.500 3.950 2.682 4.528 . 0 0 "[ . 1 . 2]" 1
1291 1 74 GLU QG 1 79 HIS QB 1.800 . 6.000 5.102 4.129 5.475 . 0 0 "[ . 1 . 2]" 1
1292 1 74 GLU HA 1 79 HIS HA 1.800 . 3.300 2.029 1.892 2.266 . 0 0 "[ . 1 . 2]" 1
1293 1 74 GLU HA 1 79 HIS QB 1.800 . 5.000 4.035 3.513 4.473 . 0 0 "[ . 1 . 2]" 1
1294 1 75 PHE H 1 80 ILE H 1.800 . 5.000 2.973 2.744 3.543 . 0 0 "[ . 1 . 2]" 1
1295 1 75 PHE H 1 78 ARG H 1.800 . 5.000 3.495 3.225 4.059 . 0 0 "[ . 1 . 2]" 1
1296 1 75 PHE H 1 79 HIS HA 1.800 . 5.000 2.851 2.510 3.313 . 0 0 "[ . 1 . 2]" 1
1297 1 75 PHE H 1 79 HIS QB 1.800 . 5.500 4.804 4.431 5.244 . 0 0 "[ . 1 . 2]" 1
1298 1 74 GLU HA 1 80 ILE H 1.800 . 5.000 2.202 1.926 2.429 . 0 0 "[ . 1 . 2]" 1
1299 1 5 GLN HA 1 81 THR HB 1.800 . 5.000 2.606 2.307 3.145 . 0 0 "[ . 1 . 2]" 1
1300 1 5 GLN HB3 1 81 THR HB 1.800 . 5.000 2.903 2.572 3.632 . 0 0 "[ . 1 . 2]" 1
1301 1 5 GLN HB2 1 81 THR HB 1.800 . 5.000 4.466 4.190 5.021 0.021 15 0 "[ . 1 . 2]" 1
1302 1 5 GLN QG 1 81 THR HB 1.800 . 5.500 3.195 2.456 4.051 . 0 0 "[ . 1 . 2]" 1
1303 1 5 GLN QG 1 81 THR MG 1.800 . 6.500 3.534 3.286 4.107 . 0 0 "[ . 1 . 2]" 1
1304 1 5 GLN QB 1 81 THR MG 1.800 . 6.500 3.856 3.583 4.013 . 0 0 "[ . 1 . 2]" 1
1305 1 5 GLN H 1 81 THR MG 1.800 . 6.000 6.011 5.871 6.036 0.036 18 0 "[ . 1 . 2]" 1
1306 1 6 ILE H 1 81 THR MG 1.800 . 6.000 4.292 3.455 4.581 . 0 0 "[ . 1 . 2]" 1
1307 1 81 THR MG 1 83 TRP HE1 1.800 . 6.000 1.950 1.826 2.021 . 0 0 "[ . 1 . 2]" 1
1308 1 72 GLU QB 1 81 THR HB 1.800 . 5.500 4.952 4.256 5.339 . 0 0 "[ . 1 . 2]" 1
1309 1 72 GLU QG 1 81 THR HB 1.800 . 5.500 5.329 4.694 5.517 0.017 18 0 "[ . 1 . 2]" 1
1310 1 72 GLU HA 1 82 LEU H 1.800 . 5.000 2.948 2.483 3.204 . 0 0 "[ . 1 . 2]" 1
1311 1 71 LEU QD 1 82 LEU H 1.800 . 7.000 3.829 2.504 4.605 . 0 0 "[ . 1 . 2]" 1
1312 1 68 PHE QD 1 84 PHE QE 1.800 . 7.000 5.463 5.300 5.735 . 0 0 "[ . 1 . 2]" 1
1313 1 68 PHE HA 1 86 LEU HA 1.800 . 5.000 5.031 5.001 5.049 0.049 17 0 "[ . 1 . 2]" 1
1314 1 90 TRP HH2 1 105 MET H 1.800 . 5.000 4.799 4.459 5.035 0.035 19 0 "[ . 1 . 2]" 1
1315 1 107 LEU QD 1 126 LEU QB 1.800 . 7.500 3.698 2.562 4.676 . 0 0 "[ . 1 . 2]" 1
1316 1 109 GLY HA3 1 129 LEU MD2 1.800 . 5.000 5.018 5.012 5.028 0.028 6 0 "[ . 1 . 2]" 1
1317 1 109 GLY HA2 1 129 LEU MD2 1.800 . 5.000 3.902 3.701 4.095 . 0 0 "[ . 1 . 2]" 1
1318 1 110 LEU QD 1 123 ILE MD 1.800 . 7.000 1.782 1.733 1.825 0.067 20 0 "[ . 1 . 2]" 1
1319 1 110 LEU MD2 1 127 LYS HA 1.800 . 4.300 4.187 3.602 4.335 0.035 6 0 "[ . 1 . 2]" 1
1320 1 110 LEU MD1 1 127 LYS HA 1.800 . 6.000 5.267 3.758 5.905 . 0 0 "[ . 1 . 2]" 1
1321 1 110 LEU QD 1 127 LYS QG 1.800 . 6.500 4.125 2.685 4.960 . 0 0 "[ . 1 . 2]" 1
1322 1 111 ASN H 1 115 PHE QE 1.800 . 7.100 7.014 6.920 7.103 0.003 11 0 "[ . 1 . 2]" 1
1323 1 111 ASN HA 1 115 PHE QB 1.800 . 5.500 5.594 5.565 5.620 0.120 1 0 "[ . 1 . 2]" 1
1324 1 111 ASN HB3 1 115 PHE QB 1.800 . 5.500 4.889 4.091 5.178 . 0 0 "[ . 1 . 2]" 1
1325 1 111 ASN HB2 1 115 PHE QB 1.800 . 5.500 5.497 5.366 5.541 0.041 19 0 "[ . 1 . 2]" 1
1326 1 112 ALA H 1 123 ILE MD 1.800 . 6.000 5.581 4.293 5.859 . 0 0 "[ . 1 . 2]" 1
1327 1 112 ALA H 1 123 ILE MG 1.800 . 6.000 3.795 3.188 4.425 . 0 0 "[ . 1 . 2]" 1
1328 1 112 ALA HA 1 123 ILE MD 1.800 . 4.300 4.356 4.335 4.391 0.091 20 0 "[ . 1 . 2]" 1
1329 1 112 ALA HA 1 123 ILE MG 1.800 . 6.000 2.981 2.514 3.465 . 0 0 "[ . 1 . 2]" 1
1330 1 112 ALA MB 1 123 ILE MD 1.800 . 5.300 4.630 3.987 4.850 . 0 0 "[ . 1 . 2]" 1
1331 1 112 ALA MB 1 123 ILE MG 1.800 . 5.300 2.790 1.855 3.394 . 0 0 "[ . 1 . 2]" 1
1332 1 112 ALA MB 1 123 ILE HB 1.800 . 4.300 3.633 2.535 4.305 0.005 10 0 "[ . 1 . 2]" 1
1333 1 112 ALA MB 1 120 GLU HA 1.800 . 6.000 3.289 2.840 3.720 . 0 0 "[ . 1 . 2]" 1
1334 1 112 ALA MB 1 120 GLU HB3 1.800 . 4.300 4.144 3.004 4.435 0.135 20 0 "[ . 1 . 2]" 1
1335 1 112 ALA MB 1 120 GLU HB2 1.800 . 4.300 4.188 2.821 4.336 0.036 6 0 "[ . 1 . 2]" 1
1336 1 115 PHE QB 1 119 ASN HB3 1.800 . 5.500 5.513 5.196 5.570 0.070 1 0 "[ . 1 . 2]" 1
1337 1 115 PHE QB 1 119 ASN HB2 1.800 . 5.500 5.513 5.371 5.544 0.044 2 0 "[ . 1 . 2]" 1
1338 1 115 PHE QD 1 122 VAL MG2 1.800 . 6.400 6.417 6.318 6.471 0.071 16 0 "[ . 1 . 2]" 1
1339 1 115 PHE QE 1 122 VAL MG2 1.800 . 6.400 4.837 4.581 5.209 . 0 0 "[ . 1 . 2]" 1
1340 1 115 PHE HZ 1 122 VAL MG2 1.800 . 6.000 5.596 4.439 6.015 0.015 20 0 "[ . 1 . 2]" 1
1341 1 115 PHE QD 1 123 ILE MD 1.800 . 6.400 3.121 2.583 4.783 . 0 0 "[ . 1 . 2]" 1
1342 1 115 PHE QE 1 123 ILE MD 1.800 . 7.100 3.587 3.060 4.766 . 0 0 "[ . 1 . 2]" 1
1343 1 84 PHE QD 1 122 VAL MG2 1.800 . 5.900 4.008 3.363 4.850 . 0 0 "[ . 1 . 2]" 1
1344 1 84 PHE QE 1 122 VAL MG2 1.800 . 6.400 3.576 1.974 4.842 . 0 0 "[ . 1 . 2]" 1
1345 1 84 PHE HZ 1 122 VAL MG2 1.800 . 6.000 3.975 1.959 5.538 . 0 0 "[ . 1 . 2]" 1
1346 1 84 PHE QD 1 122 VAL MG1 1.800 . 5.900 2.705 1.905 3.331 . 0 0 "[ . 1 . 2]" 1
1347 1 84 PHE QE 1 122 VAL MG1 1.800 . 6.400 3.253 2.415 4.237 . 0 0 "[ . 1 . 2]" 1
1348 1 84 PHE HZ 1 122 VAL MG1 1.800 . 6.000 4.303 3.221 5.948 . 0 0 "[ . 1 . 2]" 1
1349 1 84 PHE QD 1 123 ILE MG 1.800 . 5.900 5.962 5.929 5.992 0.092 17 0 "[ . 1 . 2]" 1
1350 1 68 PHE QD 1 122 VAL MG2 1.800 . 5.900 5.869 5.638 5.956 0.056 20 0 "[ . 1 . 2]" 1
1351 1 68 PHE QE 1 122 VAL MG2 1.800 . 6.400 4.386 4.168 4.508 . 0 0 "[ . 1 . 2]" 1
1352 1 84 PHE QE 1 123 ILE MD 1.800 . 7.100 2.865 2.085 5.327 . 0 0 "[ . 1 . 2]" 1
1353 1 68 PHE QD 1 123 ILE MD 1.800 . 7.100 5.874 5.321 6.318 . 0 0 "[ . 1 . 2]" 1
1354 1 68 PHE HZ 1 123 ILE MD 1.800 . 4.300 4.316 4.195 4.347 0.047 20 0 "[ . 1 . 2]" 1
1355 1 34 GLU QG 1 119 ASN HB3 1.800 . 5.500 4.914 3.654 5.508 0.008 13 0 "[ . 1 . 2]" 1
1356 1 34 GLU QG 1 119 ASN HB2 1.800 . 5.500 4.383 3.908 5.220 . 0 0 "[ . 1 . 2]" 1
1357 1 34 GLU QB 1 119 ASN HB3 1.800 . 7.000 6.864 5.560 7.027 0.027 4 0 "[ . 1 . 2]" 1
1358 1 34 GLU QB 1 119 ASN HB2 1.800 . 7.000 6.203 5.834 6.410 . 0 0 "[ . 1 . 2]" 1
1359 1 8 VAL HB 1 37 GLY HA3 1.800 . 3.800 3.367 3.306 3.682 . 0 0 "[ . 1 . 2]" 1
1360 1 8 VAL HB 1 37 GLY HA2 1.800 . 5.000 5.043 5.010 5.112 0.112 17 0 "[ . 1 . 2]" 1
1361 1 8 VAL HA 1 37 GLY HA3 1.800 . 4.300 1.953 1.790 2.271 0.010 5 0 "[ . 1 . 2]" 1
1362 1 8 VAL HA 1 37 GLY HA2 1.800 . 4.300 3.583 3.373 3.929 . 0 0 "[ . 1 . 2]" 1
1363 1 82 LEU MD1 1 122 VAL MG1 1.800 . 5.300 4.940 3.025 5.344 0.044 20 0 "[ . 1 . 2]" 1
1364 1 71 LEU MD1 1 122 VAL MG1 1.800 . 5.800 4.331 3.164 5.463 . 0 0 "[ . 1 . 2]" 1
1365 1 75 PHE QD 1 80 ILE MD 1.800 . 5.800 4.450 2.314 5.276 . 0 0 "[ . 1 . 2]" 1
1366 1 75 PHE QD 1 80 ILE MG 1.800 . 7.100 3.017 2.182 4.572 . 0 0 "[ . 1 . 2]" 1
1367 1 75 PHE QD 1 80 ILE HB 1.800 . 5.000 4.684 3.444 5.012 0.012 20 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 6
_Distance_constraint_stats_list.Viol_count 76
_Distance_constraint_stats_list.Viol_total 444.426
_Distance_constraint_stats_list.Viol_max 2.983
_Distance_constraint_stats_list.Viol_rms 0.4735
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1852
_Distance_constraint_stats_list.Viol_average_violations_only 0.2924
_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 38 GLY 7.157 1.432 17 5 "[ - 1 * . +* *]"
1 53 GLU 19.807 2.983 18 10 "[ * *-* 1 ***. *+ *]"
1 56 GLU 3.051 0.570 6 4 "[ -*+ 1 *. 2]"
1 57 GLU 14.427 2.983 18 7 "[ * ** 1 -* . + *]"
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 56 GLU OE1 1 57 GLU OE2 3.000 3.000 4.500 3.869 2.961 5.070 0.570 6 2 "[ -+ 1 . 2]" 2
2 1 53 GLU OE2 1 57 GLU OE2 3.000 3.000 4.500 4.370 2.426 7.483 2.983 18 7 "[ * ** 1 -* . + *]" 2
3 1 38 GLY O 1 57 GLU OE2 3.000 3.000 4.500 3.193 2.556 3.779 0.444 13 0 "[ . 1 . 2]" 2
4 1 53 GLU OE2 1 56 GLU OE1 3.000 3.000 4.500 3.191 2.480 4.502 0.520 14 2 "[ -. 1 +. 2]" 2
5 1 38 GLY O 1 56 GLU OE1 3.000 3.000 4.500 4.528 4.511 4.559 0.059 16 0 "[ . 1 . 2]" 2
6 1 38 GLY O 1 53 GLU OE2 3.000 3.000 4.500 4.071 2.409 5.932 1.432 17 5 "[ - 1 * . +* *]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 82
_Distance_constraint_stats_list.Viol_count 88
_Distance_constraint_stats_list.Viol_total 73.389
_Distance_constraint_stats_list.Viol_max 0.207
_Distance_constraint_stats_list.Viol_rms 0.0148
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0022
_Distance_constraint_stats_list.Viol_average_violations_only 0.0417
_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 4 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ILE 0.038 0.024 15 0 "[ . 1 . 2]"
1 8 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ILE 0.138 0.024 8 0 "[ . 1 . 2]"
1 12 ARG 2.531 0.207 19 0 "[ . 1 . 2]"
1 13 ASN 0.190 0.050 7 0 "[ . 1 . 2]"
1 16 ASN 0.120 0.041 14 0 "[ . 1 . 2]"
1 17 GLU 0.190 0.050 7 0 "[ . 1 . 2]"
1 18 ILE 0.018 0.014 14 0 "[ . 1 . 2]"
1 19 PHE 0.138 0.024 8 0 "[ . 1 . 2]"
1 20 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 VAL 0.071 0.041 12 0 "[ . 1 . 2]"
1 51 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LEU 0.071 0.041 12 0 "[ . 1 . 2]"
1 55 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 THR 0.038 0.024 15 0 "[ . 1 . 2]"
1 82 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ARG 2.531 0.207 19 0 "[ . 1 . 2]"
1 103 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 MET 0.018 0.014 14 0 "[ . 1 . 2]"
1 107 LEU 0.120 0.041 14 0 "[ . 1 . 2]"
1 119 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 GLU 0.229 0.031 20 0 "[ . 1 . 2]"
1 121 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 ILE 0.336 0.044 18 0 "[ . 1 . 2]"
1 124 ALA 0.229 0.031 20 0 "[ . 1 . 2]"
1 125 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 LYS 0.336 0.044 18 0 "[ . 1 . 2]"
1 128 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 ILE H 1 19 PHE O 1.500 . 4.000 3.890 3.552 4.024 0.024 8 0 "[ . 1 . 2]" 3
2 1 11 ILE N 1 19 PHE O 2.500 2.500 6.000 4.657 4.216 4.899 . 0 0 "[ . 1 . 2]" 3
3 1 13 ASN H 1 17 GLU O 1.500 . 4.000 1.598 1.511 1.875 . 0 0 "[ . 1 . 2]" 3
4 1 13 ASN N 1 17 GLU O 2.500 2.500 6.000 2.515 2.450 2.654 0.050 7 0 "[ . 1 . 2]" 3
5 1 11 ILE O 1 19 PHE H 1.500 . 4.000 2.149 1.642 2.705 . 0 0 "[ . 1 . 2]" 3
6 1 11 ILE O 1 19 PHE N 2.500 2.500 6.000 2.998 2.571 3.471 . 0 0 "[ . 1 . 2]" 3
7 1 4 LEU H 1 79 HIS O 1.500 . 4.000 1.751 1.623 2.030 . 0 0 "[ . 1 . 2]" 3
8 1 4 LEU N 1 79 HIS O 2.500 2.500 6.000 2.666 2.567 2.924 . 0 0 "[ . 1 . 2]" 3
9 1 6 ILE H 1 81 THR O 1.500 . 4.000 1.851 1.679 2.026 . 0 0 "[ . 1 . 2]" 3
10 1 6 ILE N 1 81 THR O 2.500 2.500 6.000 2.535 2.476 2.594 0.024 15 0 "[ . 1 . 2]" 3
11 1 8 VAL H 1 83 TRP O 1.500 . 4.000 1.677 1.586 1.877 . 0 0 "[ . 1 . 2]" 3
12 1 8 VAL N 1 83 TRP O 2.500 2.500 6.000 2.595 2.520 2.811 . 0 0 "[ . 1 . 2]" 3
13 1 10 ILE H 1 85 TRP O 1.500 . 4.000 2.445 2.193 2.681 . 0 0 "[ . 1 . 2]" 3
14 1 10 ILE N 1 85 TRP O 2.500 2.500 6.000 3.273 3.025 3.550 . 0 0 "[ . 1 . 2]" 3
15 1 12 ARG H 1 87 VAL O 1.500 . 4.000 3.166 2.687 3.428 . 0 0 "[ . 1 . 2]" 3
16 1 12 ARG N 1 87 VAL O 2.500 2.500 6.000 3.755 3.456 4.016 . 0 0 "[ . 1 . 2]" 3
17 1 4 LEU O 1 81 THR H 1.500 . 4.000 2.030 1.807 2.583 . 0 0 "[ . 1 . 2]" 3
18 1 4 LEU O 1 81 THR N 2.500 2.500 6.000 2.950 2.699 3.310 . 0 0 "[ . 1 . 2]" 3
19 1 6 ILE O 1 83 TRP H 1.500 . 4.000 1.838 1.691 2.094 . 0 0 "[ . 1 . 2]" 3
20 1 6 ILE O 1 83 TRP N 2.500 2.500 6.000 2.762 2.639 3.013 . 0 0 "[ . 1 . 2]" 3
21 1 8 VAL O 1 85 TRP H 1.500 . 4.000 1.683 1.572 1.961 . 0 0 "[ . 1 . 2]" 3
22 1 8 VAL O 1 85 TRP N 2.500 2.500 6.000 2.616 2.504 2.818 . 0 0 "[ . 1 . 2]" 3
23 1 10 ILE O 1 87 VAL H 1.500 . 4.000 2.603 2.349 2.868 . 0 0 "[ . 1 . 2]" 3
24 1 10 ILE O 1 87 VAL N 2.500 2.500 6.000 3.341 3.128 3.573 . 0 0 "[ . 1 . 2]" 3
25 1 12 ARG O 1 89 ARG H 1.500 . 4.000 4.127 4.078 4.207 0.207 19 0 "[ . 1 . 2]" 3
26 1 12 ARG O 1 89 ARG N 2.500 2.500 6.000 3.459 3.279 3.638 . 0 0 "[ . 1 . 2]" 3
27 1 75 PHE H 1 78 ARG O 1.500 . 4.000 1.881 1.670 2.287 . 0 0 "[ . 1 . 2]" 3
28 1 75 PHE N 1 78 ARG O 2.500 2.500 6.000 2.565 2.513 2.612 . 0 0 "[ . 1 . 2]" 3
29 1 73 TYR H 1 80 ILE O 1.500 . 4.000 2.465 2.185 2.774 . 0 0 "[ . 1 . 2]" 3
30 1 73 TYR N 1 80 ILE O 2.500 2.500 6.000 3.331 3.013 3.654 . 0 0 "[ . 1 . 2]" 3
31 1 71 LEU H 1 82 LEU O 1.500 . 4.000 1.906 1.668 2.177 . 0 0 "[ . 1 . 2]" 3
32 1 71 LEU N 1 82 LEU O 2.500 2.500 6.000 2.763 2.568 3.022 . 0 0 "[ . 1 . 2]" 3
33 1 69 GLU H 1 84 PHE O 1.500 . 4.000 2.068 1.735 2.561 . 0 0 "[ . 1 . 2]" 3
34 1 69 GLU N 1 84 PHE O 2.500 2.500 6.000 3.025 2.702 3.481 . 0 0 "[ . 1 . 2]" 3
35 1 73 TYR O 1 80 ILE H 1.500 . 4.000 2.422 2.090 2.853 . 0 0 "[ . 1 . 2]" 3
36 1 73 TYR O 1 80 ILE N 2.500 2.500 6.000 3.082 2.880 3.646 . 0 0 "[ . 1 . 2]" 3
37 1 71 LEU O 1 82 LEU H 1.500 . 4.000 2.055 1.782 2.391 . 0 0 "[ . 1 . 2]" 3
38 1 71 LEU O 1 82 LEU N 2.500 2.500 6.000 2.944 2.592 3.250 . 0 0 "[ . 1 . 2]" 3
39 1 69 GLU O 1 84 PHE H 1.500 . 4.000 2.047 1.770 2.566 . 0 0 "[ . 1 . 2]" 3
40 1 69 GLU O 1 84 PHE N 2.500 2.500 6.000 2.793 2.537 3.302 . 0 0 "[ . 1 . 2]" 3
41 1 20 ILE H 1 103 GLU O 1.500 . 4.000 3.066 2.515 3.586 . 0 0 "[ . 1 . 2]" 3
42 1 20 ILE N 1 103 GLU O 2.500 2.500 6.000 3.800 3.336 4.183 . 0 0 "[ . 1 . 2]" 3
43 1 18 ILE H 1 105 MET O 1.500 . 4.000 1.788 1.636 1.909 . 0 0 "[ . 1 . 2]" 3
44 1 18 ILE N 1 105 MET O 2.500 2.500 6.000 2.563 2.486 2.634 0.014 14 0 "[ . 1 . 2]" 3
45 1 16 ASN O 1 107 LEU H 1.500 . 4.000 3.622 2.539 4.041 0.041 14 0 "[ . 1 . 2]" 3
46 1 16 ASN O 1 107 LEU N 2.500 2.500 6.000 4.546 3.449 5.022 . 0 0 "[ . 1 . 2]" 3
47 1 18 ILE O 1 105 MET H 1.500 . 4.000 2.107 1.825 2.501 . 0 0 "[ . 1 . 2]" 3
48 1 18 ILE O 1 105 MET N 2.500 2.500 6.000 3.020 2.726 3.366 . 0 0 "[ . 1 . 2]" 3
49 1 20 ILE O 1 103 GLU H 1.500 . 4.000 2.941 2.117 3.566 . 0 0 "[ . 1 . 2]" 3
50 1 20 ILE O 1 103 GLU N 2.500 2.500 6.000 3.739 2.993 4.260 . 0 0 "[ . 1 . 2]" 3
51 1 47 GLU O 1 51 VAL H 1.500 . 4.000 2.625 2.443 2.770 . 0 0 "[ . 1 . 2]" 3
52 1 47 GLU O 1 51 VAL N 2.500 2.500 6.000 3.550 3.366 3.691 . 0 0 "[ . 1 . 2]" 3
53 1 48 GLN O 1 52 ARG H 1.500 . 4.000 2.137 1.688 2.601 . 0 0 "[ . 1 . 2]" 3
54 1 48 GLN O 1 52 ARG N 2.500 2.500 6.000 2.988 2.566 3.442 . 0 0 "[ . 1 . 2]" 3
55 1 49 ALA O 1 53 GLU H 1.500 . 4.000 2.346 2.057 2.666 . 0 0 "[ . 1 . 2]" 3
56 1 49 ALA O 1 53 GLU N 2.500 2.500 6.000 3.278 2.907 3.528 . 0 0 "[ . 1 . 2]" 3
57 1 50 VAL O 1 54 LEU H 1.500 . 4.000 1.738 1.673 1.807 . 0 0 "[ . 1 . 2]" 3
58 1 50 VAL O 1 54 LEU N 2.500 2.500 6.000 2.542 2.459 2.632 0.041 12 0 "[ . 1 . 2]" 3
59 1 51 VAL O 1 55 GLN H 1.500 . 4.000 3.129 2.737 3.276 . 0 0 "[ . 1 . 2]" 3
60 1 51 VAL O 1 55 GLN N 2.500 2.500 6.000 4.002 3.640 4.151 . 0 0 "[ . 1 . 2]" 3
61 1 52 ARG O 1 56 GLU H 1.500 . 4.000 2.960 2.670 3.228 . 0 0 "[ . 1 . 2]" 3
62 1 52 ARG O 1 56 GLU N 2.500 2.500 6.000 3.815 3.531 4.085 . 0 0 "[ . 1 . 2]" 3
63 1 53 GLU O 1 57 GLU H 1.500 . 4.000 2.045 1.718 2.363 . 0 0 "[ . 1 . 2]" 3
64 1 53 GLU O 1 57 GLU N 2.500 2.500 6.000 2.799 2.557 3.091 . 0 0 "[ . 1 . 2]" 3
65 1 54 LEU O 1 58 VAL H 1.500 . 4.000 2.267 2.039 2.754 . 0 0 "[ . 1 . 2]" 3
66 1 54 LEU O 1 58 VAL N 2.500 2.500 6.000 2.687 2.522 3.107 . 0 0 "[ . 1 . 2]" 3
67 1 55 GLN O 1 59 GLY H 1.500 . 4.000 2.042 1.764 2.307 . 0 0 "[ . 1 . 2]" 3
68 1 55 GLN O 1 59 GLY N 2.500 2.500 6.000 2.722 2.531 2.987 . 0 0 "[ . 1 . 2]" 3
69 1 119 ASN O 1 123 ILE N 2.500 2.500 6.000 3.240 2.972 3.562 . 0 0 "[ . 1 . 2]" 3
70 1 119 ASN O 1 123 ILE H 1.500 . 4.000 2.290 2.022 2.592 . 0 0 "[ . 1 . 2]" 3
71 1 120 GLU O 1 124 ALA N 2.500 2.500 6.000 2.504 2.469 2.620 0.031 20 0 "[ . 1 . 2]" 3
72 1 120 GLU O 1 124 ALA H 1.500 . 4.000 1.610 1.542 1.680 . 0 0 "[ . 1 . 2]" 3
73 1 121 PRO O 1 125 LYS H 1.500 . 4.000 3.199 3.139 3.243 . 0 0 "[ . 1 . 2]" 3
74 1 121 PRO O 1 125 LYS N 2.500 2.500 6.000 3.931 3.875 3.987 . 0 0 "[ . 1 . 2]" 3
75 1 122 VAL O 1 126 LEU H 1.500 . 4.000 2.747 2.506 3.032 . 0 0 "[ . 1 . 2]" 3
76 1 122 VAL O 1 126 LEU N 2.500 2.500 6.000 3.686 3.449 3.964 . 0 0 "[ . 1 . 2]" 3
77 1 123 ILE O 1 127 LYS H 1.500 . 4.000 1.595 1.562 1.672 . 0 0 "[ . 1 . 2]" 3
78 1 123 ILE O 1 127 LYS N 2.500 2.500 6.000 2.483 2.456 2.500 0.044 18 0 "[ . 1 . 2]" 3
79 1 124 ALA O 1 128 ARG H 1.500 . 4.000 2.695 2.245 2.983 . 0 0 "[ . 1 . 2]" 3
80 1 124 ALA O 1 128 ARG N 2.500 2.500 6.000 3.591 3.128 3.877 . 0 0 "[ . 1 . 2]" 3
81 1 125 LYS O 1 129 LEU H 1.500 . 4.000 3.413 3.097 3.531 . 0 0 "[ . 1 . 2]" 3
82 1 125 LYS O 1 129 LEU N 2.500 2.500 6.000 3.897 3.611 4.062 . 0 0 "[ . 1 . 2]" 3
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