NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
482798 |
1rqv   |
4429 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1rqv
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 630
_Distance_constraint_stats_list.Viol_count 92
_Distance_constraint_stats_list.Viol_total 18.208
_Distance_constraint_stats_list.Viol_max 3.960
_Distance_constraint_stats_list.Viol_rms 0.2005
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0289
_Distance_constraint_stats_list.Viol_average_violations_only 0.1979
_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 SER 0.000 0.000 . 0 "[ ]"
1 2 ILE 0.123 0.066 1 0 "[ ]"
1 3 THR 0.097 0.043 1 0 "[ ]"
1 4 LYS 0.224 0.120 1 0 "[ ]"
1 5 ASP 0.351 0.120 1 0 "[ ]"
1 6 GLN 0.054 0.029 1 0 "[ ]"
1 7 ILE 0.080 0.051 1 0 "[ ]"
1 8 ILE 0.000 0.000 . 0 "[ ]"
1 9 GLU 0.048 0.048 1 0 "[ ]"
1 10 ALA 0.182 0.105 1 0 "[ ]"
1 11 VAL 0.258 0.124 1 0 "[ ]"
1 12 ALA 0.000 0.000 . 0 "[ ]"
1 13 ALA 0.028 0.028 1 0 "[ ]"
1 14 MET 0.081 0.030 1 0 "[ ]"
1 15 SER 0.186 0.089 1 0 "[ ]"
1 16 VAL 0.061 0.061 1 0 "[ ]"
1 17 MET 0.080 0.080 1 0 "[ ]"
1 18 ASP 0.080 0.080 1 0 "[ ]"
1 19 VAL 0.000 0.000 . 0 "[ ]"
1 20 VAL 0.016 0.016 1 0 "[ ]"
1 21 GLU 0.138 0.096 1 0 "[ ]"
1 22 LEU 0.303 0.096 1 0 "[ ]"
1 23 ILE 0.201 0.096 1 0 "[ ]"
1 24 SER 0.153 0.078 1 0 "[ ]"
1 25 ALA 0.203 0.078 1 0 "[ ]"
1 26 MET 0.356 0.127 1 0 "[ ]"
1 27 GLU 0.207 0.123 1 0 "[ ]"
1 28 GLU 0.096 0.054 1 0 "[ ]"
1 29 LYS 0.060 0.060 1 0 "[ ]"
1 30 PHE 5.963 3.960 1 1 [+]
1 31 GLY 1.059 1.040 1 1 [+]
1 32 VAL 7.731 3.960 1 1 [+]
1 33 SER 1.610 0.963 1 1 [+]
1 34 ALA 1.676 0.963 1 1 [+]
1 35 ALA 1.465 0.713 1 1 [+]
1 36 ALA 1.736 0.994 1 1 [+]
1 37 ALA 0.994 0.994 1 1 [+]
2 1 SER 0.083 0.083 1 0 "[ ]"
2 2 ILE 0.068 0.068 1 0 "[ ]"
2 3 THR 0.177 0.093 1 0 "[ ]"
2 4 LYS 0.247 0.110 1 0 "[ ]"
2 5 ASP 0.396 0.110 1 0 "[ ]"
2 6 GLN 0.014 0.014 1 0 "[ ]"
2 7 ILE 0.014 0.014 1 0 "[ ]"
2 8 ILE 0.050 0.050 1 0 "[ ]"
2 9 GLU 0.045 0.045 1 0 "[ ]"
2 10 ALA 0.167 0.109 1 0 "[ ]"
2 11 VAL 0.294 0.127 1 0 "[ ]"
2 12 ALA 0.000 0.000 . 0 "[ ]"
2 13 ALA 0.020 0.020 1 0 "[ ]"
2 14 MET 0.152 0.053 1 0 "[ ]"
2 15 SER 0.143 0.085 1 0 "[ ]"
2 16 VAL 0.000 0.000 . 0 "[ ]"
2 17 MET 0.123 0.099 1 0 "[ ]"
2 18 ASP 0.099 0.099 1 0 "[ ]"
2 19 VAL 0.101 0.101 1 0 "[ ]"
2 20 VAL 0.063 0.063 1 0 "[ ]"
2 21 GLU 0.119 0.091 1 0 "[ ]"
2 22 LEU 0.230 0.104 1 0 "[ ]"
2 23 ILE 0.380 0.119 1 0 "[ ]"
2 24 SER 0.165 0.102 1 0 "[ ]"
2 25 ALA 0.152 0.102 1 0 "[ ]"
2 26 MET 0.410 0.130 1 0 "[ ]"
2 27 GLU 0.317 0.130 1 0 "[ ]"
2 28 GLU 0.071 0.066 1 0 "[ ]"
2 29 LYS 0.059 0.059 1 0 "[ ]"
2 30 PHE 0.194 0.124 1 0 "[ ]"
2 31 GLY 0.000 0.000 . 0 "[ ]"
2 32 VAL 0.000 0.000 . 0 "[ ]"
2 33 SER 0.000 0.000 . 0 "[ ]"
2 34 ALA 0.000 0.000 . 0 "[ ]"
2 35 ALA 0.957 0.892 1 1 [+]
2 36 ALA 2.172 1.011 1 1 [+]
2 37 ALA 1.011 1.011 1 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 1 SER H1 1 1 SER HA . . 2.800 2.169 2.169 2.169 . 0 0 "[ ]" 1
2 1 1 SER H1 1 1 SER QB . . 3.710 3.312 3.312 3.312 . 0 0 "[ ]" 1
3 1 1 SER H1 1 2 ILE H . . 3.240 3.050 3.050 3.050 . 0 0 "[ ]" 1
4 1 1 SER HA 1 2 ILE H . . 2.620 2.492 2.492 2.492 . 0 0 "[ ]" 1
5 1 2 ILE H 1 2 ILE HB . . 2.740 2.584 2.584 2.584 . 0 0 "[ ]" 1
6 1 2 ILE H 1 2 ILE HG12 . . 3.330 3.396 3.396 3.396 0.066 1 0 "[ ]" 1
7 1 2 ILE H 1 2 ILE HG13 . . 3.330 2.231 2.231 2.231 . 0 0 "[ ]" 1
8 1 2 ILE H 1 2 ILE QG . . 3.040 2.202 2.202 2.202 . 0 0 "[ ]" 1
9 1 2 ILE H 1 2 ILE MD . . 5.660 3.713 3.713 3.713 . 0 0 "[ ]" 1
10 1 2 ILE H 1 3 THR H . . 3.390 3.433 3.433 3.433 0.043 1 0 "[ ]" 1
11 1 2 ILE HA 1 3 THR H . . 2.590 2.603 2.603 2.603 0.013 1 0 "[ ]" 1
12 1 2 ILE HB 1 3 THR H . . 4.630 4.473 4.473 4.473 . 0 0 "[ ]" 1
13 1 2 ILE MG 1 3 THR H . . 4.920 4.004 4.004 4.004 . 0 0 "[ ]" 1
14 1 3 THR H 1 3 THR HA . . 2.930 2.871 2.871 2.871 . 0 0 "[ ]" 1
15 1 3 THR H 1 3 THR MG . . 4.080 2.129 2.129 2.129 . 0 0 "[ ]" 1
16 1 3 THR H 1 6 GLN QB . . 4.760 3.194 3.194 3.194 . 0 0 "[ ]" 1
17 1 3 THR H 1 6 GLN QG . . 4.450 2.658 2.658 2.658 . 0 0 "[ ]" 1
18 1 3 THR HA 1 4 LYS H . . 2.710 2.475 2.475 2.475 . 0 0 "[ ]" 1
19 1 3 THR HA 1 5 ASP H . . 4.320 4.360 4.360 4.360 0.040 1 0 "[ ]" 1
20 1 3 THR HB 1 4 LYS H . . 2.710 2.507 2.507 2.507 . 0 0 "[ ]" 1
21 1 3 THR HB 1 5 ASP H . . 2.930 2.827 2.827 2.827 . 0 0 "[ ]" 1
22 1 3 THR MG 1 4 LYS H . . 6.280 3.824 3.824 3.824 . 0 0 "[ ]" 1
23 1 3 THR MG 1 5 ASP H . . 6.530 4.460 4.460 4.460 . 0 0 "[ ]" 1
24 1 4 LYS H 1 4 LYS HB2 . . 2.930 2.118 2.118 2.118 . 0 0 "[ ]" 1
25 1 4 LYS H 1 4 LYS HB3 . . 3.420 3.406 3.406 3.406 . 0 0 "[ ]" 1
26 1 4 LYS H 1 5 ASP H . . 3.390 2.426 2.426 2.426 . 0 0 "[ ]" 1
27 1 4 LYS H 2 14 MET ME . . 6.160 4.629 4.629 4.629 . 0 0 "[ ]" 1
28 1 4 LYS HA 1 7 ILE H . . 4.010 3.273 3.273 3.273 . 0 0 "[ ]" 1
29 1 4 LYS HB2 1 5 ASP H . . 3.270 3.007 3.007 3.007 . 0 0 "[ ]" 1
30 1 4 LYS HB3 1 5 ASP H . . 3.300 3.420 3.420 3.420 0.120 1 0 "[ ]" 1
31 1 4 LYS HB3 2 22 LEU H . . 4.600 4.704 4.704 4.704 0.104 1 0 "[ ]" 1
32 1 4 LYS QG 1 5 ASP H . . 6.380 4.525 4.525 4.525 . 0 0 "[ ]" 1
33 1 4 LYS QD 1 5 ASP H . . 6.380 5.140 5.140 5.140 . 0 0 "[ ]" 1
34 1 4 LYS QD 2 22 LEU H . . 6.380 3.861 3.861 3.861 . 0 0 "[ ]" 1
35 1 5 ASP H 1 5 ASP HA . . 2.900 2.714 2.714 2.714 . 0 0 "[ ]" 1
36 1 5 ASP H 1 5 ASP HB2 . . 2.680 2.259 2.259 2.259 . 0 0 "[ ]" 1
37 1 5 ASP H 1 5 ASP HB3 . . 3.390 3.505 3.505 3.505 0.115 1 0 "[ ]" 1
38 1 5 ASP H 1 6 GLN H . . 2.740 2.766 2.766 2.766 0.026 1 0 "[ ]" 1
39 1 5 ASP HA 1 7 ILE H . . 4.010 4.061 4.061 4.061 0.051 1 0 "[ ]" 1
40 1 5 ASP HA 1 8 ILE H . . 3.980 3.206 3.206 3.206 . 0 0 "[ ]" 1
41 1 5 ASP HB2 1 6 GLN H . . 3.950 2.668 2.668 2.668 . 0 0 "[ ]" 1
42 1 5 ASP HB3 1 6 GLN H . . 4.450 3.378 3.378 3.378 . 0 0 "[ ]" 1
43 1 6 GLN H 1 6 GLN QG . . 3.960 2.747 2.747 2.747 . 0 0 "[ ]" 1
44 1 6 GLN H 1 7 ILE H . . 3.080 2.677 2.677 2.677 . 0 0 "[ ]" 1
45 1 6 GLN HA 1 7 ILE H . . 3.520 3.549 3.549 3.549 0.029 1 0 "[ ]" 1
46 1 6 GLN HA 1 9 GLU H . . 3.580 3.466 3.466 3.466 . 0 0 "[ ]" 1
47 1 6 GLN QB 1 8 ILE H . . 5.350 4.926 4.926 4.926 . 0 0 "[ ]" 1
48 1 6 GLN QG 1 7 ILE H . . 5.630 2.102 2.102 2.102 . 0 0 "[ ]" 1
49 1 7 ILE H 1 7 ILE HB . . 2.550 2.209 2.209 2.209 . 0 0 "[ ]" 1
50 1 7 ILE H 1 8 ILE H . . 3.480 2.447 2.447 2.447 . 0 0 "[ ]" 1
51 1 7 ILE HB 1 8 ILE H . . 3.170 3.142 3.142 3.142 . 0 0 "[ ]" 1
52 1 8 ILE H 1 8 ILE HB . . 2.620 2.437 2.437 2.437 . 0 0 "[ ]" 1
53 1 8 ILE H 1 8 ILE HG12 . . 3.140 2.030 2.030 2.030 . 0 0 "[ ]" 1
54 1 8 ILE H 1 8 ILE HG13 . . 4.040 3.483 3.483 3.483 . 0 0 "[ ]" 1
55 1 8 ILE H 1 9 GLU H . . 3.020 2.673 2.673 2.673 . 0 0 "[ ]" 1
56 1 8 ILE H 2 25 ALA MB . . 6.120 4.903 4.903 4.903 . 0 0 "[ ]" 1
57 1 8 ILE HA 1 11 VAL H . . 4.510 3.517 3.517 3.517 . 0 0 "[ ]" 1
58 1 8 ILE HA 2 30 PHE QE . . 7.620 4.128 4.128 4.128 . 0 0 "[ ]" 1
59 1 8 ILE HB 1 9 GLU H . . 2.740 2.487 2.487 2.487 . 0 0 "[ ]" 1
60 1 8 ILE MG 1 9 GLU H . . 5.010 3.374 3.374 3.374 . 0 0 "[ ]" 1
61 1 8 ILE MG 2 26 MET H . . 5.660 3.697 3.697 3.697 . 0 0 "[ ]" 1
62 1 8 ILE MG 2 30 PHE H . . 6.530 4.429 4.429 4.429 . 0 0 "[ ]" 1
63 1 8 ILE MG 2 30 PHE QD . . 8.650 4.027 4.027 4.027 . 0 0 "[ ]" 1
64 1 8 ILE MG 2 30 PHE QE . . 7.940 3.093 3.093 3.093 . 0 0 "[ ]" 1
65 1 8 ILE MG 2 30 PHE HZ . . 5.160 4.235 4.235 4.235 . 0 0 "[ ]" 1
66 1 8 ILE MD 1 9 GLU H . . 5.910 4.630 4.630 4.630 . 0 0 "[ ]" 1
67 1 8 ILE MD 2 25 ALA H . . 6.530 3.550 3.550 3.550 . 0 0 "[ ]" 1
68 1 8 ILE MD 2 26 MET H . . 5.190 2.422 2.422 2.422 . 0 0 "[ ]" 1
69 1 8 ILE MD 2 27 GLU H . . 6.530 4.821 4.821 4.821 . 0 0 "[ ]" 1
70 1 8 ILE MD 2 29 LYS H . . 6.530 5.058 5.058 5.058 . 0 0 "[ ]" 1
71 1 8 ILE MD 2 30 PHE QD . . 8.650 4.915 4.915 4.915 . 0 0 "[ ]" 1
72 1 8 ILE MD 2 30 PHE QE . . 8.650 4.131 4.131 4.131 . 0 0 "[ ]" 1
73 1 9 GLU H 1 9 GLU HA . . 2.900 2.790 2.790 2.790 . 0 0 "[ ]" 1
74 1 9 GLU H 1 9 GLU QB . . 3.680 2.415 2.415 2.415 . 0 0 "[ ]" 1
75 1 9 GLU H 1 9 GLU HG2 . . 5.470 2.154 2.154 2.154 . 0 0 "[ ]" 1
76 1 9 GLU H 1 9 GLU HG3 . . 5.470 3.280 3.280 3.280 . 0 0 "[ ]" 1
77 1 9 GLU H 1 9 GLU QG . . 5.120 2.127 2.127 2.127 . 0 0 "[ ]" 1
78 1 9 GLU H 1 10 ALA H . . 3.240 2.610 2.610 2.610 . 0 0 "[ ]" 1
79 1 9 GLU HA 1 10 ALA H . . 3.390 3.438 3.438 3.438 0.048 1 0 "[ ]" 1
80 1 9 GLU HA 1 12 ALA H . . 3.580 3.055 3.055 3.055 . 0 0 "[ ]" 1
81 1 9 GLU QB 1 10 ALA H . . 4.080 3.809 3.809 3.809 . 0 0 "[ ]" 1
82 1 9 GLU QB 1 11 VAL H . . 5.910 5.350 5.350 5.350 . 0 0 "[ ]" 1
83 1 10 ALA H 1 10 ALA MB . . 3.550 2.183 2.183 2.183 . 0 0 "[ ]" 1
84 1 10 ALA H 1 11 VAL H . . 2.930 2.504 2.504 2.504 . 0 0 "[ ]" 1
85 1 10 ALA H 1 11 VAL HB . . 4.320 4.425 4.425 4.425 0.105 1 0 "[ ]" 1
86 1 10 ALA H 1 11 VAL MG2 . . 5.810 4.372 4.372 4.372 . 0 0 "[ ]" 1
87 1 10 ALA HA 1 11 VAL H . . 3.580 3.609 3.609 3.609 0.029 1 0 "[ ]" 1
88 1 10 ALA HA 1 13 ALA H . . 4.170 3.505 3.505 3.505 . 0 0 "[ ]" 1
89 1 10 ALA MB 1 11 VAL H . . 3.950 2.554 2.554 2.554 . 0 0 "[ ]" 1
90 1 11 VAL H 1 11 VAL HB . . 2.710 2.182 2.182 2.182 . 0 0 "[ ]" 1
91 1 11 VAL H 1 11 VAL MG1 . . 4.480 3.625 3.625 3.625 . 0 0 "[ ]" 1
92 1 11 VAL H 1 11 VAL MG2 . . 4.020 2.551 2.551 2.551 . 0 0 "[ ]" 1
93 1 11 VAL H 1 12 ALA H . . 2.930 2.489 2.489 2.489 . 0 0 "[ ]" 1
94 1 11 VAL H 1 14 MET ME . . 6.530 5.412 5.412 5.412 . 0 0 "[ ]" 1
95 1 11 VAL H 2 22 LEU QD . . 8.100 5.276 5.276 5.276 . 0 0 "[ ]" 1
96 1 11 VAL H 2 26 MET HG2 . . 5.130 5.254 5.254 5.254 0.124 1 0 "[ ]" 1
97 1 11 VAL H 2 26 MET ME . . 6.530 3.855 3.855 3.855 . 0 0 "[ ]" 1
98 1 11 VAL HA 1 13 ALA H . . 4.170 3.471 3.471 3.471 . 0 0 "[ ]" 1
99 1 11 VAL HA 1 14 MET H . . 3.550 3.361 3.361 3.361 . 0 0 "[ ]" 1
100 1 11 VAL HB 1 12 ALA H . . 3.360 3.070 3.070 3.070 . 0 0 "[ ]" 1
101 1 11 VAL HB 2 30 PHE QE . . 7.620 3.097 3.097 3.097 . 0 0 "[ ]" 1
102 1 11 VAL MG1 1 12 ALA H . . 4.880 3.460 3.460 3.460 . 0 0 "[ ]" 1
103 1 11 VAL MG1 1 13 ALA H . . 6.530 4.435 4.435 4.435 . 0 0 "[ ]" 1
104 1 11 VAL MG1 2 30 PHE QD . . 8.650 4.141 4.141 4.141 . 0 0 "[ ]" 1
105 1 11 VAL MG1 2 30 PHE QE . . 8.530 2.659 2.659 2.659 . 0 0 "[ ]" 1
106 1 11 VAL MG1 2 30 PHE HZ . . 6.530 2.087 2.087 2.087 . 0 0 "[ ]" 1
107 1 11 VAL MG2 1 12 ALA H . . 6.190 4.191 4.191 4.191 . 0 0 "[ ]" 1
108 1 11 VAL MG2 2 30 PHE QE . . 8.650 4.173 4.173 4.173 . 0 0 "[ ]" 1
109 1 11 VAL MG2 2 30 PHE HZ . . 6.530 4.474 4.474 4.474 . 0 0 "[ ]" 1
110 1 12 ALA H 1 12 ALA MB . . 3.430 2.166 2.166 2.166 . 0 0 "[ ]" 1
111 1 12 ALA H 1 13 ALA H . . 3.170 2.507 2.507 2.507 . 0 0 "[ ]" 1
112 1 12 ALA H 2 26 MET ME . . 6.530 5.332 5.332 5.332 . 0 0 "[ ]" 1
113 1 12 ALA H 2 30 PHE HZ . . 5.500 2.909 2.909 2.909 . 0 0 "[ ]" 1
114 1 12 ALA HA 1 13 ALA H . . 3.640 3.232 3.232 3.232 . 0 0 "[ ]" 1
115 1 12 ALA HA 1 14 MET H . . 4.350 4.143 4.143 4.143 . 0 0 "[ ]" 1
116 1 12 ALA HA 2 30 PHE HZ . . 5.500 2.605 2.605 2.605 . 0 0 "[ ]" 1
117 1 12 ALA MB 2 30 PHE QE . . 8.650 2.233 2.233 2.233 . 0 0 "[ ]" 1
118 1 12 ALA MB 2 30 PHE HZ . . 6.250 2.176 2.176 2.176 . 0 0 "[ ]" 1
119 1 13 ALA H 1 13 ALA MB . . 3.490 2.210 2.210 2.210 . 0 0 "[ ]" 1
120 1 13 ALA H 1 14 MET H . . 2.800 1.936 1.936 1.936 . 0 0 "[ ]" 1
121 1 13 ALA H 1 14 MET HB2 . . 4.510 4.211 4.211 4.211 . 0 0 "[ ]" 1
122 1 13 ALA HA 1 14 MET H . . 3.520 3.548 3.548 3.548 0.028 1 0 "[ ]" 1
123 1 14 MET H 1 14 MET HB2 . . 2.710 2.476 2.476 2.476 . 0 0 "[ ]" 1
124 1 14 MET H 1 14 MET HB3 . . 3.580 3.610 3.610 3.610 0.030 1 0 "[ ]" 1
125 1 14 MET H 1 14 MET HG2 . . 4.660 3.899 3.899 3.899 . 0 0 "[ ]" 1
126 1 14 MET H 1 14 MET HG3 . . 3.610 2.498 2.498 2.498 . 0 0 "[ ]" 1
127 1 14 MET H 1 14 MET ME . . 6.530 4.466 4.466 4.466 . 0 0 "[ ]" 1
128 1 14 MET H 1 15 SER H . . 4.850 4.551 4.551 4.551 . 0 0 "[ ]" 1
129 1 14 MET H 1 19 VAL MG2 . . 6.190 4.007 4.007 4.007 . 0 0 "[ ]" 1
130 1 14 MET HA 1 15 SER H . . 2.550 2.562 2.562 2.562 0.012 1 0 "[ ]" 1
131 1 14 MET HB2 1 15 SER H . . 3.450 3.460 3.460 3.460 0.010 1 0 "[ ]" 1
132 1 14 MET HB3 1 15 SER H . . 2.990 2.359 2.359 2.359 . 0 0 "[ ]" 1
133 1 14 MET HG2 1 15 SER H . . 4.320 4.235 4.235 4.235 . 0 0 "[ ]" 1
134 1 14 MET ME 2 4 LYS H . . 6.160 4.298 4.298 4.298 . 0 0 "[ ]" 1
135 1 15 SER H 1 15 SER HB2 . . 3.330 3.419 3.419 3.419 0.089 1 0 "[ ]" 1
136 1 15 SER H 1 15 SER HB3 . . 3.110 3.124 3.124 3.124 0.014 1 0 "[ ]" 1
137 1 15 SER H 1 16 VAL H . . 4.880 4.633 4.633 4.633 . 0 0 "[ ]" 1
138 1 15 SER H 1 18 ASP HB2 . . 3.830 2.995 2.995 2.995 . 0 0 "[ ]" 1
139 1 15 SER H 1 18 ASP HB3 . . 3.170 2.911 2.911 2.911 . 0 0 "[ ]" 1
140 1 15 SER H 1 19 VAL MG2 . . 6.530 4.252 4.252 4.252 . 0 0 "[ ]" 1
141 1 15 SER HA 1 16 VAL H . . 2.550 2.434 2.434 2.434 . 0 0 "[ ]" 1
142 1 15 SER HB2 1 16 VAL H . . 3.110 2.741 2.741 2.741 . 0 0 "[ ]" 1
143 1 15 SER HB3 1 16 VAL H . . 3.420 3.481 3.481 3.481 0.061 1 0 "[ ]" 1
144 1 15 SER HB3 1 17 MET H . . 4.260 4.252 4.252 4.252 . 0 0 "[ ]" 1
145 1 16 VAL H 1 16 VAL HB . . 2.710 2.459 2.459 2.459 . 0 0 "[ ]" 1
146 1 16 VAL H 1 16 VAL MG1 . . 4.790 3.701 3.701 3.701 . 0 0 "[ ]" 1
147 1 16 VAL H 1 16 VAL MG2 . . 4.200 2.092 2.092 2.092 . 0 0 "[ ]" 1
148 1 16 VAL H 1 17 MET H . . 3.270 2.811 2.811 2.811 . 0 0 "[ ]" 1
149 1 16 VAL HA 1 19 VAL H . . 3.450 3.212 3.212 3.212 . 0 0 "[ ]" 1
150 1 16 VAL HB 1 17 MET H . . 2.930 2.629 2.629 2.629 . 0 0 "[ ]" 1
151 1 16 VAL MG1 1 17 MET H . . 4.980 3.477 3.477 3.477 . 0 0 "[ ]" 1
152 1 16 VAL MG2 1 17 MET H . . 6.530 3.870 3.870 3.870 . 0 0 "[ ]" 1
153 1 16 VAL MG2 1 18 ASP H . . 6.530 5.421 5.421 5.421 . 0 0 "[ ]" 1
154 1 16 VAL MG2 2 30 PHE QD . . 8.650 6.191 6.191 6.191 . 0 0 "[ ]" 1
155 1 16 VAL MG2 2 30 PHE QE . . 8.650 5.655 5.655 5.655 . 0 0 "[ ]" 1
156 1 17 MET H 1 17 MET HA . . 2.830 2.719 2.719 2.719 . 0 0 "[ ]" 1
157 1 17 MET H 1 17 MET HB2 . . 2.710 2.144 2.144 2.144 . 0 0 "[ ]" 1
158 1 17 MET H 1 17 MET HG2 . . 5.500 4.000 4.000 4.000 . 0 0 "[ ]" 1
159 1 17 MET H 1 17 MET HG3 . . 3.700 2.760 2.760 2.760 . 0 0 "[ ]" 1
160 1 17 MET H 1 18 ASP H . . 2.930 2.864 2.864 2.864 . 0 0 "[ ]" 1
161 1 17 MET HA 1 20 VAL H . . 3.830 3.177 3.177 3.177 . 0 0 "[ ]" 1
162 1 17 MET HB3 1 18 ASP H . . 3.110 3.190 3.190 3.190 0.080 1 0 "[ ]" 1
163 1 18 ASP H 1 18 ASP HB2 . . 3.240 2.374 2.374 2.374 . 0 0 "[ ]" 1
164 1 18 ASP H 1 18 ASP HB3 . . 2.930 2.539 2.539 2.539 . 0 0 "[ ]" 1
165 1 18 ASP H 1 19 VAL H . . 3.270 2.598 2.598 2.598 . 0 0 "[ ]" 1
166 1 18 ASP H 1 19 VAL MG2 . . 6.220 3.806 3.806 3.806 . 0 0 "[ ]" 1
167 1 18 ASP HA 1 21 GLU H . . 4.040 3.495 3.495 3.495 . 0 0 "[ ]" 1
168 1 18 ASP HB2 1 19 VAL H . . 4.290 3.953 3.953 3.953 . 0 0 "[ ]" 1
169 1 18 ASP HB3 1 19 VAL H . . 3.480 2.837 2.837 2.837 . 0 0 "[ ]" 1
170 1 19 VAL H 1 19 VAL HB . . 2.680 2.392 2.392 2.392 . 0 0 "[ ]" 1
171 1 19 VAL H 1 19 VAL MG2 . . 4.170 2.137 2.137 2.137 . 0 0 "[ ]" 1
172 1 19 VAL H 1 20 VAL H . . 3.300 2.411 2.411 2.411 . 0 0 "[ ]" 1
173 1 19 VAL H 1 20 VAL MG1 . . 6.530 5.557 5.557 5.557 . 0 0 "[ ]" 1
174 1 19 VAL H 1 20 VAL MG2 . . 6.340 4.079 4.079 4.079 . 0 0 "[ ]" 1
175 1 19 VAL HA 1 22 LEU H . . 3.580 3.272 3.272 3.272 . 0 0 "[ ]" 1
176 1 19 VAL HA 1 23 ILE H . . 3.980 3.949 3.949 3.949 . 0 0 "[ ]" 1
177 1 19 VAL HB 1 20 VAL H . . 2.990 2.794 2.794 2.794 . 0 0 "[ ]" 1
178 1 19 VAL MG2 1 20 VAL H . . 5.630 3.880 3.880 3.880 . 0 0 "[ ]" 1
179 1 19 VAL MG2 2 30 PHE QE . . 8.650 5.115 5.115 5.115 . 0 0 "[ ]" 1
180 1 19 VAL MG2 2 30 PHE HZ . . 5.910 4.871 4.871 4.871 . 0 0 "[ ]" 1
181 1 20 VAL H 1 20 VAL HB . . 2.740 2.223 2.223 2.223 . 0 0 "[ ]" 1
182 1 20 VAL H 1 20 VAL MG1 . . 4.570 3.650 3.650 3.650 . 0 0 "[ ]" 1
183 1 20 VAL H 1 20 VAL MG2 . . 3.990 2.368 2.368 2.368 . 0 0 "[ ]" 1
184 1 20 VAL H 1 21 GLU H . . 3.140 2.715 2.715 2.715 . 0 0 "[ ]" 1
185 1 20 VAL H 1 23 ILE HB . . 5.250 5.266 5.266 5.266 0.016 1 0 "[ ]" 1
186 1 20 VAL HA 1 23 ILE H . . 3.920 3.792 3.792 3.792 . 0 0 "[ ]" 1
187 1 20 VAL HB 1 21 GLU H . . 2.900 2.620 2.620 2.620 . 0 0 "[ ]" 1
188 1 20 VAL MG1 1 21 GLU H . . 5.320 3.056 3.056 3.056 . 0 0 "[ ]" 1
189 1 20 VAL MG2 1 21 GLU H . . 5.470 4.012 4.012 4.012 . 0 0 "[ ]" 1
190 1 21 GLU H 1 21 GLU HB2 . . 2.900 2.291 2.291 2.291 . 0 0 "[ ]" 1
191 1 21 GLU H 1 21 GLU HB3 . . 3.420 3.516 3.516 3.516 0.096 1 0 "[ ]" 1
192 1 21 GLU H 1 22 LEU H . . 2.860 2.831 2.831 2.831 . 0 0 "[ ]" 1
193 1 21 GLU H 1 22 LEU QD . . 7.940 5.580 5.580 5.580 . 0 0 "[ ]" 1
194 1 21 GLU HA 1 22 LEU H . . 3.580 3.622 3.622 3.622 0.042 1 0 "[ ]" 1
195 1 21 GLU HA 1 24 SER H . . 3.670 3.591 3.591 3.591 . 0 0 "[ ]" 1
196 1 21 GLU HB2 1 22 LEU H . . 3.300 2.659 2.659 2.659 . 0 0 "[ ]" 1
197 1 21 GLU HB3 1 22 LEU H . . 3.580 3.382 3.382 3.382 . 0 0 "[ ]" 1
198 1 22 LEU H 1 22 LEU HA . . 2.830 2.755 2.755 2.755 . 0 0 "[ ]" 1
199 1 22 LEU H 1 22 LEU HB2 . . 2.930 2.403 2.403 2.403 . 0 0 "[ ]" 1
200 1 22 LEU H 1 22 LEU HB3 . . 2.960 2.463 2.463 2.463 . 0 0 "[ ]" 1
201 1 22 LEU H 1 22 LEU HG . . 5.130 4.514 4.514 4.514 . 0 0 "[ ]" 1
202 1 22 LEU H 1 22 LEU MD1 . . 5.780 4.094 4.094 4.094 . 0 0 "[ ]" 1
203 1 22 LEU H 1 22 LEU MD2 . . 5.780 4.006 4.006 4.006 . 0 0 "[ ]" 1
204 1 22 LEU H 1 23 ILE H . . 3.080 3.041 3.041 3.041 . 0 0 "[ ]" 1
205 1 22 LEU H 2 4 LYS HB3 . . 4.600 4.677 4.677 4.677 0.077 1 0 "[ ]" 1
206 1 22 LEU H 2 4 LYS QD . . 6.380 3.060 3.060 3.060 . 0 0 "[ ]" 1
207 1 22 LEU HA 1 25 ALA H . . 4.070 3.308 3.308 3.308 . 0 0 "[ ]" 1
208 1 22 LEU HB2 1 23 ILE H . . 3.610 3.698 3.698 3.698 0.088 1 0 "[ ]" 1
209 1 22 LEU HG 1 23 ILE H . . 4.260 4.356 4.356 4.356 0.096 1 0 "[ ]" 1
210 1 22 LEU QD 1 23 ILE H . . 7.260 2.493 2.493 2.493 . 0 0 "[ ]" 1
211 1 22 LEU QD 1 25 ALA H . . 8.040 3.789 3.789 3.789 . 0 0 "[ ]" 1
212 1 22 LEU QD 2 11 VAL H . . 8.100 5.277 5.277 5.277 . 0 0 "[ ]" 1
213 1 23 ILE H 1 23 ILE HB . . 2.490 2.322 2.322 2.322 . 0 0 "[ ]" 1
214 1 23 ILE H 1 23 ILE MG . . 4.730 3.686 3.686 3.686 . 0 0 "[ ]" 1
215 1 23 ILE H 1 23 ILE HG12 . . 3.730 2.232 2.232 2.232 . 0 0 "[ ]" 1
216 1 23 ILE H 1 23 ILE MD . . 5.230 3.301 3.301 3.301 . 0 0 "[ ]" 1
217 1 23 ILE H 1 24 SER H . . 3.080 2.919 2.919 2.919 . 0 0 "[ ]" 1
218 1 23 ILE HA 1 26 MET H . . 3.920 3.561 3.561 3.561 . 0 0 "[ ]" 1
219 1 23 ILE HB 1 24 SER H . . 2.930 2.720 2.720 2.720 . 0 0 "[ ]" 1
220 1 23 ILE MG 1 24 SER H . . 4.920 3.138 3.138 3.138 . 0 0 "[ ]" 1
221 1 23 ILE MG 1 27 GLU H . . 6.500 3.868 3.868 3.868 . 0 0 "[ ]" 1
222 1 23 ILE HG13 1 24 SER H . . 5.310 5.108 5.108 5.108 . 0 0 "[ ]" 1
223 1 24 SER H 1 24 SER HB2 . . 3.450 2.197 2.197 2.197 . 0 0 "[ ]" 1
224 1 24 SER H 1 24 SER HB3 . . 3.450 3.478 3.478 3.478 0.028 1 0 "[ ]" 1
225 1 24 SER H 1 24 SER QB . . 3.030 2.175 2.175 2.175 . 0 0 "[ ]" 1
226 1 24 SER H 1 25 ALA H . . 2.960 2.738 2.738 2.738 . 0 0 "[ ]" 1
227 1 24 SER HA 1 25 ALA H . . 3.550 3.597 3.597 3.597 0.047 1 0 "[ ]" 1
228 1 24 SER HA 1 27 GLU H . . 3.760 3.527 3.527 3.527 . 0 0 "[ ]" 1
229 1 24 SER HB2 1 25 ALA H . . 3.360 2.870 2.870 2.870 . 0 0 "[ ]" 1
230 1 24 SER HB3 1 25 ALA H . . 3.360 3.438 3.438 3.438 0.078 1 0 "[ ]" 1
231 1 24 SER QB 1 25 ALA H . . 3.070 2.734 2.734 2.734 . 0 0 "[ ]" 1
232 1 25 ALA H 1 25 ALA HA . . 2.770 2.795 2.795 2.795 0.025 1 0 "[ ]" 1
233 1 25 ALA H 1 25 ALA MB . . 3.640 2.103 2.103 2.103 . 0 0 "[ ]" 1
234 1 25 ALA H 1 26 MET H . . 3.020 2.877 2.877 2.877 . 0 0 "[ ]" 1
235 1 25 ALA H 2 8 ILE MD . . 6.530 4.273 4.273 4.273 . 0 0 "[ ]" 1
236 1 25 ALA HA 1 28 GLU H . . 3.610 3.664 3.664 3.664 0.054 1 0 "[ ]" 1
237 1 25 ALA MB 1 26 MET H . . 3.950 2.126 2.126 2.126 . 0 0 "[ ]" 1
238 1 25 ALA MB 1 28 GLU H . . 6.530 4.633 4.633 4.633 . 0 0 "[ ]" 1
239 1 25 ALA MB 2 8 ILE H . . 6.120 5.088 5.088 5.088 . 0 0 "[ ]" 1
240 1 26 MET H 1 26 MET HB2 . . 3.240 2.401 2.401 2.401 . 0 0 "[ ]" 1
241 1 26 MET H 1 26 MET HG2 . . 3.520 3.443 3.443 3.443 . 0 0 "[ ]" 1
242 1 26 MET H 1 26 MET HG3 . . 3.170 2.113 2.113 2.113 . 0 0 "[ ]" 1
243 1 26 MET H 1 26 MET ME . . 6.530 4.480 4.480 4.480 . 0 0 "[ ]" 1
244 1 26 MET H 1 27 GLU H . . 2.860 2.858 2.858 2.858 . 0 0 "[ ]" 1
245 1 26 MET H 2 8 ILE MG . . 5.660 4.095 4.095 4.095 . 0 0 "[ ]" 1
246 1 26 MET H 2 8 ILE MD . . 5.190 3.247 3.247 3.247 . 0 0 "[ ]" 1
247 1 26 MET HA 1 29 LYS H . . 3.550 3.116 3.116 3.116 . 0 0 "[ ]" 1
248 1 26 MET HA 1 30 PHE H . . 3.730 3.233 3.233 3.233 . 0 0 "[ ]" 1
249 1 26 MET HA 1 30 PHE QD . . 7.620 2.548 2.548 2.548 . 0 0 "[ ]" 1
250 1 26 MET HA 1 30 PHE QE . . 7.620 3.555 3.555 3.555 . 0 0 "[ ]" 1
251 1 26 MET HB2 1 27 GLU H . . 3.480 2.706 2.706 2.706 . 0 0 "[ ]" 1
252 1 26 MET HG2 1 30 PHE H . . 4.850 4.957 4.957 4.957 0.107 1 0 "[ ]" 1
253 1 26 MET HG2 1 30 PHE QD . . 7.620 3.071 3.071 3.071 . 0 0 "[ ]" 1
254 1 26 MET HG2 1 30 PHE QE . . 7.620 2.249 2.249 2.249 . 0 0 "[ ]" 1
255 1 26 MET HG2 2 11 VAL H . . 5.130 5.257 5.257 5.257 0.127 1 0 "[ ]" 1
256 1 26 MET HG3 1 27 GLU H . . 4.350 4.473 4.473 4.473 0.123 1 0 "[ ]" 1
257 1 26 MET ME 1 30 PHE QD . . 8.650 3.112 3.112 3.112 . 0 0 "[ ]" 1
258 1 26 MET ME 1 30 PHE QE . . 8.650 2.544 2.544 2.544 . 0 0 "[ ]" 1
259 1 26 MET ME 1 30 PHE HZ . . 6.530 3.717 3.717 3.717 . 0 0 "[ ]" 1
260 1 26 MET ME 2 11 VAL H . . 6.530 4.601 4.601 4.601 . 0 0 "[ ]" 1
261 1 26 MET ME 2 12 ALA H . . 6.530 5.290 5.290 5.290 . 0 0 "[ ]" 1
262 1 27 GLU H 1 27 GLU HB2 . . 3.020 2.169 2.169 2.169 . 0 0 "[ ]" 1
263 1 27 GLU H 1 27 GLU HB3 . . 3.420 3.461 3.461 3.461 0.041 1 0 "[ ]" 1
264 1 27 GLU H 1 27 GLU HG2 . . 5.500 3.828 3.828 3.828 . 0 0 "[ ]" 1
265 1 27 GLU H 1 27 GLU HG3 . . 5.500 2.794 2.794 2.794 . 0 0 "[ ]" 1
266 1 27 GLU H 1 27 GLU QG . . 4.760 2.729 2.729 2.729 . 0 0 "[ ]" 1
267 1 27 GLU H 1 28 GLU H . . 3.240 2.894 2.894 2.894 . 0 0 "[ ]" 1
268 1 27 GLU H 2 8 ILE MD . . 6.530 5.310 5.310 5.310 . 0 0 "[ ]" 1
269 1 27 GLU HA 1 30 PHE H . . 4.510 4.394 4.394 4.394 . 0 0 "[ ]" 1
270 1 27 GLU HA 1 30 PHE QD . . 7.620 4.851 4.851 4.851 . 0 0 "[ ]" 1
271 1 27 GLU HB2 1 28 GLU H . . 3.390 2.925 2.925 2.925 . 0 0 "[ ]" 1
272 1 27 GLU HB3 1 28 GLU H . . 3.240 3.283 3.283 3.283 0.043 1 0 "[ ]" 1
273 1 27 GLU QG 1 28 GLU H . . 6.380 4.438 4.438 4.438 . 0 0 "[ ]" 1
274 1 28 GLU H 1 28 GLU HA . . 2.900 2.840 2.840 2.840 . 0 0 "[ ]" 1
275 1 28 GLU H 1 28 GLU HB2 . . 2.710 2.622 2.622 2.622 . 0 0 "[ ]" 1
276 1 28 GLU H 1 28 GLU HB3 . . 2.800 2.415 2.415 2.415 . 0 0 "[ ]" 1
277 1 28 GLU H 1 28 GLU HG2 . . 4.450 4.397 4.397 4.397 . 0 0 "[ ]" 1
278 1 28 GLU H 1 28 GLU HG3 . . 4.450 4.436 4.436 4.436 . 0 0 "[ ]" 1
279 1 28 GLU H 1 28 GLU QG . . 4.240 3.934 3.934 3.934 . 0 0 "[ ]" 1
280 1 28 GLU H 1 29 LYS H . . 2.960 2.489 2.489 2.489 . 0 0 "[ ]" 1
281 1 28 GLU HA 1 29 LYS H . . 3.640 3.617 3.617 3.617 . 0 0 "[ ]" 1
282 1 28 GLU HA 1 31 GLY H . . 3.860 3.467 3.467 3.467 . 0 0 "[ ]" 1
283 1 28 GLU HB3 1 29 LYS H . . 2.860 2.590 2.590 2.590 . 0 0 "[ ]" 1
284 1 28 GLU QG 1 29 LYS H . . 6.380 3.564 3.564 3.564 . 0 0 "[ ]" 1
285 1 29 LYS H 1 29 LYS HA . . 2.930 2.765 2.765 2.765 . 0 0 "[ ]" 1
286 1 29 LYS H 1 29 LYS HB2 . . 2.930 2.511 2.511 2.511 . 0 0 "[ ]" 1
287 1 29 LYS H 1 29 LYS HB3 . . 2.830 2.410 2.410 2.410 . 0 0 "[ ]" 1
288 1 29 LYS H 1 29 LYS HG2 . . 5.500 4.562 4.562 4.562 . 0 0 "[ ]" 1
289 1 29 LYS H 1 29 LYS HG3 . . 5.500 4.356 4.356 4.356 . 0 0 "[ ]" 1
290 1 29 LYS H 1 30 PHE H . . 3.210 2.979 2.979 2.979 . 0 0 "[ ]" 1
291 1 29 LYS H 2 8 ILE MD . . 6.530 4.460 4.460 4.460 . 0 0 "[ ]" 1
292 1 29 LYS HA 1 30 PHE H . . 3.580 3.640 3.640 3.640 0.060 1 0 "[ ]" 1
293 1 29 LYS HB2 1 30 PHE H . . 3.830 3.784 3.784 3.784 . 0 0 "[ ]" 1
294 1 29 LYS HB2 1 30 PHE QD . . 7.620 4.475 4.475 4.475 . 0 0 "[ ]" 1
295 1 29 LYS HB2 1 30 PHE QE . . 7.620 5.155 5.155 5.155 . 0 0 "[ ]" 1
296 1 29 LYS HB3 1 30 PHE H . . 3.610 2.319 2.319 2.319 . 0 0 "[ ]" 1
297 1 29 LYS HB3 1 30 PHE QD . . 7.620 2.764 2.764 2.764 . 0 0 "[ ]" 1
298 1 29 LYS HB3 1 30 PHE QE . . 7.620 3.852 3.852 3.852 . 0 0 "[ ]" 1
299 1 29 LYS QG 1 30 PHE QD . . 8.500 3.415 3.415 3.415 . 0 0 "[ ]" 1
300 1 29 LYS QG 1 30 PHE QE . . 8.500 3.492 3.492 3.492 . 0 0 "[ ]" 1
301 1 29 LYS HE2 1 30 PHE QE . . 7.620 6.273 6.273 6.273 . 0 0 "[ ]" 1
302 1 30 PHE H 1 30 PHE HB2 . . 3.050 2.202 2.202 2.202 . 0 0 "[ ]" 1
303 1 30 PHE H 1 30 PHE HB3 . . 3.450 3.447 3.447 3.447 . 0 0 "[ ]" 1
304 1 30 PHE H 1 31 GLY H . . 2.860 2.569 2.569 2.569 . 0 0 "[ ]" 1
305 1 30 PHE H 2 8 ILE MG . . 6.530 4.427 4.427 4.427 . 0 0 "[ ]" 1
306 1 30 PHE HA 1 31 GLY H . . 3.360 3.379 3.379 3.379 0.019 1 0 "[ ]" 1
307 1 30 PHE HB2 1 31 GLY H . . 3.860 3.368 3.368 3.368 . 0 0 "[ ]" 1
308 1 30 PHE HB3 1 31 GLY H . . 4.790 4.140 4.140 4.140 . 0 0 "[ ]" 1
309 1 30 PHE QD 1 32 VAL HB . . 7.620 9.438 9.438 9.438 1.818 1 1 [+] 1
310 1 30 PHE QD 2 8 ILE MG . . 8.650 3.490 3.490 3.490 . 0 0 "[ ]" 1
311 1 30 PHE QD 2 8 ILE MD . . 8.650 5.196 5.196 5.196 . 0 0 "[ ]" 1
312 1 30 PHE QD 2 11 VAL MG1 . . 8.650 3.905 3.905 3.905 . 0 0 "[ ]" 1
313 1 30 PHE QD 2 16 VAL MG2 . . 8.650 5.435 5.435 5.435 . 0 0 "[ ]" 1
314 1 30 PHE QE 1 32 VAL HB . . 7.620 11.580 11.580 11.580 3.960 1 1 [+] 1
315 1 30 PHE QE 2 8 ILE HA . . 7.620 3.203 3.203 3.203 . 0 0 "[ ]" 1
316 1 30 PHE QE 2 8 ILE MG . . 7.940 2.516 2.516 2.516 . 0 0 "[ ]" 1
317 1 30 PHE QE 2 8 ILE MD . . 8.650 4.886 4.886 4.886 . 0 0 "[ ]" 1
318 1 30 PHE QE 2 11 VAL HB . . 7.620 2.817 2.817 2.817 . 0 0 "[ ]" 1
319 1 30 PHE QE 2 11 VAL MG1 . . 8.530 2.767 2.767 2.767 . 0 0 "[ ]" 1
320 1 30 PHE QE 2 11 VAL MG2 . . 8.650 3.868 3.868 3.868 . 0 0 "[ ]" 1
321 1 30 PHE QE 2 12 ALA MB . . 8.650 2.791 2.791 2.791 . 0 0 "[ ]" 1
322 1 30 PHE QE 2 16 VAL MG2 . . 8.650 5.238 5.238 5.238 . 0 0 "[ ]" 1
323 1 30 PHE QE 2 19 VAL MG2 . . 8.650 4.661 4.661 4.661 . 0 0 "[ ]" 1
324 1 30 PHE HZ 2 8 ILE MG . . 5.160 4.030 4.030 4.030 . 0 0 "[ ]" 1
325 1 30 PHE HZ 2 11 VAL MG1 . . 6.530 2.204 2.204 2.204 . 0 0 "[ ]" 1
326 1 30 PHE HZ 2 11 VAL MG2 . . 6.530 4.120 4.120 4.120 . 0 0 "[ ]" 1
327 1 30 PHE HZ 2 12 ALA H . . 5.500 2.700 2.700 2.700 . 0 0 "[ ]" 1
328 1 30 PHE HZ 2 12 ALA HA . . 5.500 2.962 2.962 2.962 . 0 0 "[ ]" 1
329 1 30 PHE HZ 2 12 ALA MB . . 6.250 2.116 2.116 2.116 . 0 0 "[ ]" 1
330 1 30 PHE HZ 2 19 VAL MG2 . . 5.910 4.909 4.909 4.909 . 0 0 "[ ]" 1
331 1 31 GLY H 1 32 VAL H . . 3.050 4.090 4.090 4.090 1.040 1 1 [+] 1
332 1 31 GLY H 1 32 VAL QG . . 7.620 4.290 4.290 4.290 . 0 0 "[ ]" 1
333 1 32 VAL H 1 32 VAL HB . . 3.270 3.536 3.536 3.536 0.266 1 0 "[ ]" 1
334 1 32 VAL H 1 33 SER H . . 3.330 2.494 2.494 2.494 . 0 0 "[ ]" 1
335 1 32 VAL HA 1 33 SER H . . 2.830 3.477 3.477 3.477 0.647 1 1 [+] 1
336 1 32 VAL QG 1 33 SER H . . 6.820 2.363 2.363 2.363 . 0 0 "[ ]" 1
337 1 33 SER H 1 33 SER HA . . 2.900 2.826 2.826 2.826 . 0 0 "[ ]" 1
338 1 33 SER H 1 33 SER QB . . 3.830 2.400 2.400 2.400 . 0 0 "[ ]" 1
339 1 33 SER H 1 34 ALA H . . 4.690 2.500 2.500 2.500 . 0 0 "[ ]" 1
340 1 33 SER HA 1 34 ALA H . . 2.650 3.613 3.613 3.613 0.963 1 1 [+] 1
341 1 33 SER QB 1 34 ALA H . . 4.550 2.566 2.566 2.566 . 0 0 "[ ]" 1
342 1 34 ALA H 1 35 ALA H . . 3.360 2.315 2.315 2.315 . 0 0 "[ ]" 1
343 1 34 ALA HA 1 35 ALA H . . 2.830 3.543 3.543 3.543 0.713 1 1 [+] 1
344 1 35 ALA H 1 35 ALA HA . . 2.860 2.905 2.905 2.905 0.045 1 0 "[ ]" 1
345 1 35 ALA H 1 36 ALA H . . 3.890 2.227 2.227 2.227 . 0 0 "[ ]" 1
346 1 35 ALA HA 1 36 ALA H . . 2.740 3.447 3.447 3.447 0.707 1 1 [+] 1
347 1 35 ALA MB 1 36 ALA H . . 4.420 3.119 3.119 3.119 . 0 0 "[ ]" 1
348 1 36 ALA H 1 36 ALA HA . . 2.650 2.686 2.686 2.686 0.036 1 0 "[ ]" 1
349 1 36 ALA HA 1 37 ALA H . . 2.620 3.614 3.614 3.614 0.994 1 1 [+] 1
350 2 1 SER H1 2 1 SER HA . . 2.800 2.883 2.883 2.883 0.083 1 0 "[ ]" 1
351 2 1 SER H1 2 1 SER QB . . 3.710 2.738 2.738 2.738 . 0 0 "[ ]" 1
352 2 1 SER H1 2 2 ILE H . . 3.240 3.227 3.227 3.227 . 0 0 "[ ]" 1
353 2 1 SER HA 2 2 ILE H . . 2.620 2.456 2.456 2.456 . 0 0 "[ ]" 1
354 2 2 ILE H 2 2 ILE HB . . 2.740 2.715 2.715 2.715 . 0 0 "[ ]" 1
355 2 2 ILE H 2 2 ILE HG12 . . 3.330 3.398 3.398 3.398 0.068 1 0 "[ ]" 1
356 2 2 ILE H 2 2 ILE HG13 . . 3.330 2.502 2.502 2.502 . 0 0 "[ ]" 1
357 2 2 ILE H 2 2 ILE QG . . 3.040 2.441 2.441 2.441 . 0 0 "[ ]" 1
358 2 2 ILE H 2 2 ILE MD . . 5.660 4.011 4.011 4.011 . 0 0 "[ ]" 1
359 2 2 ILE H 2 3 THR H . . 3.390 3.359 3.359 3.359 . 0 0 "[ ]" 1
360 2 2 ILE HA 2 3 THR H . . 2.590 2.540 2.540 2.540 . 0 0 "[ ]" 1
361 2 2 ILE HB 2 3 THR H . . 4.630 4.491 4.491 4.491 . 0 0 "[ ]" 1
362 2 2 ILE MG 2 3 THR H . . 4.920 3.972 3.972 3.972 . 0 0 "[ ]" 1
363 2 3 THR H 2 3 THR HA . . 2.930 2.902 2.902 2.902 . 0 0 "[ ]" 1
364 2 3 THR H 2 3 THR MG . . 4.080 2.381 2.381 2.381 . 0 0 "[ ]" 1
365 2 3 THR H 2 6 GLN QB . . 4.760 2.185 2.185 2.185 . 0 0 "[ ]" 1
366 2 3 THR H 2 6 GLN QG . . 4.450 3.888 3.888 3.888 . 0 0 "[ ]" 1
367 2 3 THR HA 2 4 LYS H . . 2.710 2.394 2.394 2.394 . 0 0 "[ ]" 1
368 2 3 THR HA 2 5 ASP H . . 4.320 4.405 4.405 4.405 0.085 1 0 "[ ]" 1
369 2 3 THR HB 2 4 LYS H . . 2.710 2.679 2.679 2.679 . 0 0 "[ ]" 1
370 2 3 THR HB 2 5 ASP H . . 2.930 3.023 3.023 3.023 0.093 1 0 "[ ]" 1
371 2 3 THR MG 2 4 LYS H . . 6.280 3.895 3.895 3.895 . 0 0 "[ ]" 1
372 2 3 THR MG 2 5 ASP H . . 6.530 4.581 4.581 4.581 . 0 0 "[ ]" 1
373 2 4 LYS H 2 4 LYS HB2 . . 2.930 2.208 2.208 2.208 . 0 0 "[ ]" 1
374 2 4 LYS H 2 4 LYS HB3 . . 3.420 3.480 3.480 3.480 0.060 1 0 "[ ]" 1
375 2 4 LYS H 2 5 ASP H . . 3.390 2.795 2.795 2.795 . 0 0 "[ ]" 1
376 2 4 LYS HA 2 7 ILE H . . 4.010 3.579 3.579 3.579 . 0 0 "[ ]" 1
377 2 4 LYS HB2 2 5 ASP H . . 3.270 2.820 2.820 2.820 . 0 0 "[ ]" 1
378 2 4 LYS HB3 2 5 ASP H . . 3.300 3.410 3.410 3.410 0.110 1 0 "[ ]" 1
379 2 4 LYS QG 2 5 ASP H . . 6.380 4.383 4.383 4.383 . 0 0 "[ ]" 1
380 2 4 LYS QD 2 5 ASP H . . 6.380 5.173 5.173 5.173 . 0 0 "[ ]" 1
381 2 5 ASP H 2 5 ASP HA . . 2.900 2.753 2.753 2.753 . 0 0 "[ ]" 1
382 2 5 ASP H 2 5 ASP HB2 . . 2.680 2.247 2.247 2.247 . 0 0 "[ ]" 1
383 2 5 ASP H 2 5 ASP HB3 . . 3.390 3.498 3.498 3.498 0.108 1 0 "[ ]" 1
384 2 5 ASP H 2 6 GLN H . . 2.740 2.708 2.708 2.708 . 0 0 "[ ]" 1
385 2 5 ASP HA 2 7 ILE H . . 4.010 3.945 3.945 3.945 . 0 0 "[ ]" 1
386 2 5 ASP HA 2 8 ILE H . . 3.980 3.167 3.167 3.167 . 0 0 "[ ]" 1
387 2 5 ASP HB2 2 6 GLN H . . 3.950 2.518 2.518 2.518 . 0 0 "[ ]" 1
388 2 5 ASP HB3 2 6 GLN H . . 4.450 3.276 3.276 3.276 . 0 0 "[ ]" 1
389 2 6 GLN H 2 6 GLN QG . . 3.960 2.846 2.846 2.846 . 0 0 "[ ]" 1
390 2 6 GLN H 2 7 ILE H . . 3.080 2.755 2.755 2.755 . 0 0 "[ ]" 1
391 2 6 GLN HA 2 7 ILE H . . 3.520 3.534 3.534 3.534 0.014 1 0 "[ ]" 1
392 2 6 GLN HA 2 9 GLU H . . 3.580 3.556 3.556 3.556 . 0 0 "[ ]" 1
393 2 6 GLN QB 2 8 ILE H . . 5.350 4.773 4.773 4.773 . 0 0 "[ ]" 1
394 2 6 GLN QG 2 7 ILE H . . 5.630 4.552 4.552 4.552 . 0 0 "[ ]" 1
395 2 7 ILE H 2 7 ILE HB . . 2.550 2.240 2.240 2.240 . 0 0 "[ ]" 1
396 2 7 ILE H 2 8 ILE H . . 3.480 2.433 2.433 2.433 . 0 0 "[ ]" 1
397 2 7 ILE HB 2 8 ILE H . . 3.170 2.950 2.950 2.950 . 0 0 "[ ]" 1
398 2 8 ILE H 2 8 ILE HB . . 2.620 2.429 2.429 2.429 . 0 0 "[ ]" 1
399 2 8 ILE H 2 8 ILE HG12 . . 3.140 3.190 3.190 3.190 0.050 1 0 "[ ]" 1
400 2 8 ILE H 2 8 ILE HG13 . . 4.040 2.004 2.004 2.004 . 0 0 "[ ]" 1
401 2 8 ILE H 2 9 GLU H . . 3.020 2.802 2.802 2.802 . 0 0 "[ ]" 1
402 2 8 ILE HA 2 11 VAL H . . 4.510 3.513 3.513 3.513 . 0 0 "[ ]" 1
403 2 8 ILE HB 2 9 GLU H . . 2.740 2.511 2.511 2.511 . 0 0 "[ ]" 1
404 2 8 ILE MG 2 9 GLU H . . 5.010 3.301 3.301 3.301 . 0 0 "[ ]" 1
405 2 8 ILE MD 2 9 GLU H . . 5.910 4.482 4.482 4.482 . 0 0 "[ ]" 1
406 2 9 GLU H 2 9 GLU HA . . 2.900 2.799 2.799 2.799 . 0 0 "[ ]" 1
407 2 9 GLU H 2 9 GLU QB . . 3.680 2.414 2.414 2.414 . 0 0 "[ ]" 1
408 2 9 GLU H 2 9 GLU HG2 . . 5.470 2.834 2.834 2.834 . 0 0 "[ ]" 1
409 2 9 GLU H 2 9 GLU HG3 . . 5.470 2.465 2.465 2.465 . 0 0 "[ ]" 1
410 2 9 GLU H 2 9 GLU QG . . 5.120 2.322 2.322 2.322 . 0 0 "[ ]" 1
411 2 9 GLU H 2 10 ALA H . . 3.240 2.584 2.584 2.584 . 0 0 "[ ]" 1
412 2 9 GLU HA 2 10 ALA H . . 3.390 3.435 3.435 3.435 0.045 1 0 "[ ]" 1
413 2 9 GLU HA 2 12 ALA H . . 3.580 3.195 3.195 3.195 . 0 0 "[ ]" 1
414 2 9 GLU QB 2 10 ALA H . . 4.080 3.218 3.218 3.218 . 0 0 "[ ]" 1
415 2 9 GLU QB 2 11 VAL H . . 5.910 5.010 5.010 5.010 . 0 0 "[ ]" 1
416 2 10 ALA H 2 10 ALA MB . . 3.550 2.165 2.165 2.165 . 0 0 "[ ]" 1
417 2 10 ALA H 2 11 VAL H . . 2.930 2.424 2.424 2.424 . 0 0 "[ ]" 1
418 2 10 ALA H 2 11 VAL HB . . 4.320 4.429 4.429 4.429 0.109 1 0 "[ ]" 1
419 2 10 ALA H 2 11 VAL MG2 . . 5.810 4.078 4.078 4.078 . 0 0 "[ ]" 1
420 2 10 ALA HA 2 11 VAL H . . 3.580 3.593 3.593 3.593 0.013 1 0 "[ ]" 1
421 2 10 ALA HA 2 13 ALA H . . 4.170 3.596 3.596 3.596 . 0 0 "[ ]" 1
422 2 10 ALA MB 2 11 VAL H . . 3.950 2.660 2.660 2.660 . 0 0 "[ ]" 1
423 2 11 VAL H 2 11 VAL HB . . 2.710 2.254 2.254 2.254 . 0 0 "[ ]" 1
424 2 11 VAL H 2 11 VAL MG1 . . 4.480 3.666 3.666 3.666 . 0 0 "[ ]" 1
425 2 11 VAL H 2 11 VAL MG2 . . 4.020 2.357 2.357 2.357 . 0 0 "[ ]" 1
426 2 11 VAL H 2 12 ALA H . . 2.930 2.489 2.489 2.489 . 0 0 "[ ]" 1
427 2 11 VAL H 2 14 MET ME . . 6.530 5.279 5.279 5.279 . 0 0 "[ ]" 1
428 2 11 VAL HA 2 13 ALA H . . 4.170 3.444 3.444 3.444 . 0 0 "[ ]" 1
429 2 11 VAL HA 2 14 MET H . . 3.550 3.595 3.595 3.595 0.045 1 0 "[ ]" 1
430 2 11 VAL HB 2 12 ALA H . . 3.360 3.016 3.016 3.016 . 0 0 "[ ]" 1
431 2 11 VAL MG1 2 12 ALA H . . 4.880 3.607 3.607 3.607 . 0 0 "[ ]" 1
432 2 11 VAL MG1 2 13 ALA H . . 6.530 4.455 4.455 4.455 . 0 0 "[ ]" 1
433 2 11 VAL MG2 2 12 ALA H . . 6.190 4.102 4.102 4.102 . 0 0 "[ ]" 1
434 2 12 ALA H 2 12 ALA MB . . 3.430 2.232 2.232 2.232 . 0 0 "[ ]" 1
435 2 12 ALA H 2 13 ALA H . . 3.170 2.555 2.555 2.555 . 0 0 "[ ]" 1
436 2 12 ALA HA 2 13 ALA H . . 3.640 3.213 3.213 3.213 . 0 0 "[ ]" 1
437 2 12 ALA HA 2 14 MET H . . 4.350 3.958 3.958 3.958 . 0 0 "[ ]" 1
438 2 13 ALA H 2 13 ALA MB . . 3.490 2.299 2.299 2.299 . 0 0 "[ ]" 1
439 2 13 ALA H 2 14 MET H . . 2.800 2.050 2.050 2.050 . 0 0 "[ ]" 1
440 2 13 ALA H 2 14 MET HB2 . . 4.510 4.313 4.313 4.313 . 0 0 "[ ]" 1
441 2 13 ALA HA 2 14 MET H . . 3.520 3.540 3.540 3.540 0.020 1 0 "[ ]" 1
442 2 14 MET H 2 14 MET HB2 . . 2.710 2.482 2.482 2.482 . 0 0 "[ ]" 1
443 2 14 MET H 2 14 MET HB3 . . 3.580 3.633 3.633 3.633 0.053 1 0 "[ ]" 1
444 2 14 MET H 2 14 MET HG2 . . 4.660 4.047 4.047 4.047 . 0 0 "[ ]" 1
445 2 14 MET H 2 14 MET HG3 . . 3.610 2.704 2.704 2.704 . 0 0 "[ ]" 1
446 2 14 MET H 2 14 MET ME . . 6.530 4.105 4.105 4.105 . 0 0 "[ ]" 1
447 2 14 MET H 2 15 SER H . . 4.850 4.532 4.532 4.532 . 0 0 "[ ]" 1
448 2 14 MET H 2 19 VAL MG2 . . 6.190 3.860 3.860 3.860 . 0 0 "[ ]" 1
449 2 14 MET HA 2 15 SER H . . 2.550 2.571 2.571 2.571 0.021 1 0 "[ ]" 1
450 2 14 MET HB2 2 15 SER H . . 3.450 3.462 3.462 3.462 0.012 1 0 "[ ]" 1
451 2 14 MET HB3 2 15 SER H . . 2.990 2.335 2.335 2.335 . 0 0 "[ ]" 1
452 2 14 MET HG2 2 15 SER H . . 4.320 4.231 4.231 4.231 . 0 0 "[ ]" 1
453 2 15 SER H 2 15 SER HB2 . . 3.330 3.415 3.415 3.415 0.085 1 0 "[ ]" 1
454 2 15 SER H 2 15 SER HB3 . . 3.110 3.106 3.106 3.106 . 0 0 "[ ]" 1
455 2 15 SER H 2 16 VAL H . . 4.880 4.616 4.616 4.616 . 0 0 "[ ]" 1
456 2 15 SER H 2 18 ASP HB2 . . 3.830 2.641 2.641 2.641 . 0 0 "[ ]" 1
457 2 15 SER H 2 18 ASP HB3 . . 3.170 3.063 3.063 3.063 . 0 0 "[ ]" 1
458 2 15 SER H 2 19 VAL MG2 . . 6.530 4.254 4.254 4.254 . 0 0 "[ ]" 1
459 2 15 SER HA 2 16 VAL H . . 2.550 2.537 2.537 2.537 . 0 0 "[ ]" 1
460 2 15 SER HB2 2 16 VAL H . . 3.110 2.486 2.486 2.486 . 0 0 "[ ]" 1
461 2 15 SER HB3 2 16 VAL H . . 3.420 3.344 3.344 3.344 . 0 0 "[ ]" 1
462 2 15 SER HB3 2 17 MET H . . 4.260 4.284 4.284 4.284 0.024 1 0 "[ ]" 1
463 2 16 VAL H 2 16 VAL HB . . 2.710 2.336 2.336 2.336 . 0 0 "[ ]" 1
464 2 16 VAL H 2 16 VAL MG1 . . 4.790 3.688 3.688 3.688 . 0 0 "[ ]" 1
465 2 16 VAL H 2 16 VAL MG2 . . 4.200 2.101 2.101 2.101 . 0 0 "[ ]" 1
466 2 16 VAL H 2 17 MET H . . 3.270 2.707 2.707 2.707 . 0 0 "[ ]" 1
467 2 16 VAL HA 2 19 VAL H . . 3.450 3.336 3.336 3.336 . 0 0 "[ ]" 1
468 2 16 VAL HB 2 17 MET H . . 2.930 2.629 2.629 2.629 . 0 0 "[ ]" 1
469 2 16 VAL MG1 2 17 MET H . . 4.980 3.328 3.328 3.328 . 0 0 "[ ]" 1
470 2 16 VAL MG2 2 17 MET H . . 6.530 3.933 3.933 3.933 . 0 0 "[ ]" 1
471 2 16 VAL MG2 2 18 ASP H . . 6.530 5.464 5.464 5.464 . 0 0 "[ ]" 1
472 2 17 MET H 2 17 MET HA . . 2.830 2.747 2.747 2.747 . 0 0 "[ ]" 1
473 2 17 MET H 2 17 MET HB2 . . 2.710 2.115 2.115 2.115 . 0 0 "[ ]" 1
474 2 17 MET H 2 17 MET HG2 . . 5.500 2.800 2.800 2.800 . 0 0 "[ ]" 1
475 2 17 MET H 2 17 MET HG3 . . 3.700 3.654 3.654 3.654 . 0 0 "[ ]" 1
476 2 17 MET H 2 18 ASP H . . 2.930 2.784 2.784 2.784 . 0 0 "[ ]" 1
477 2 17 MET HA 2 20 VAL H . . 3.830 3.168 3.168 3.168 . 0 0 "[ ]" 1
478 2 17 MET HB3 2 18 ASP H . . 3.110 3.209 3.209 3.209 0.099 1 0 "[ ]" 1
479 2 18 ASP H 2 18 ASP HB2 . . 3.240 2.081 2.081 2.081 . 0 0 "[ ]" 1
480 2 18 ASP H 2 18 ASP HB3 . . 2.930 2.928 2.928 2.928 . 0 0 "[ ]" 1
481 2 18 ASP H 2 19 VAL H . . 3.270 2.600 2.600 2.600 . 0 0 "[ ]" 1
482 2 18 ASP H 2 19 VAL MG2 . . 6.220 4.190 4.190 4.190 . 0 0 "[ ]" 1
483 2 18 ASP HA 2 21 GLU H . . 4.040 3.517 3.517 3.517 . 0 0 "[ ]" 1
484 2 18 ASP HB2 2 19 VAL H . . 4.290 3.647 3.647 3.647 . 0 0 "[ ]" 1
485 2 18 ASP HB3 2 19 VAL H . . 3.480 3.007 3.007 3.007 . 0 0 "[ ]" 1
486 2 19 VAL H 2 19 VAL HB . . 2.680 2.206 2.206 2.206 . 0 0 "[ ]" 1
487 2 19 VAL H 2 19 VAL MG2 . . 4.170 2.484 2.484 2.484 . 0 0 "[ ]" 1
488 2 19 VAL H 2 20 VAL H . . 3.300 2.447 2.447 2.447 . 0 0 "[ ]" 1
489 2 19 VAL H 2 20 VAL MG1 . . 6.530 5.550 5.550 5.550 . 0 0 "[ ]" 1
490 2 19 VAL H 2 20 VAL MG2 . . 6.340 4.138 4.138 4.138 . 0 0 "[ ]" 1
491 2 19 VAL HA 2 22 LEU H . . 3.580 3.001 3.001 3.001 . 0 0 "[ ]" 1
492 2 19 VAL HA 2 23 ILE H . . 3.980 4.081 4.081 4.081 0.101 1 0 "[ ]" 1
493 2 19 VAL HB 2 20 VAL H . . 2.990 2.767 2.767 2.767 . 0 0 "[ ]" 1
494 2 19 VAL MG2 2 20 VAL H . . 5.630 4.060 4.060 4.060 . 0 0 "[ ]" 1
495 2 20 VAL H 2 20 VAL HB . . 2.740 2.242 2.242 2.242 . 0 0 "[ ]" 1
496 2 20 VAL H 2 20 VAL MG1 . . 4.570 3.658 3.658 3.658 . 0 0 "[ ]" 1
497 2 20 VAL H 2 20 VAL MG2 . . 3.990 2.285 2.285 2.285 . 0 0 "[ ]" 1
498 2 20 VAL H 2 21 GLU H . . 3.140 2.785 2.785 2.785 . 0 0 "[ ]" 1
499 2 20 VAL H 2 23 ILE HB . . 5.250 5.313 5.313 5.313 0.063 1 0 "[ ]" 1
500 2 20 VAL HA 2 23 ILE H . . 3.920 3.739 3.739 3.739 . 0 0 "[ ]" 1
501 2 20 VAL HB 2 21 GLU H . . 2.900 2.772 2.772 2.772 . 0 0 "[ ]" 1
502 2 20 VAL MG1 2 21 GLU H . . 5.320 3.196 3.196 3.196 . 0 0 "[ ]" 1
503 2 20 VAL MG2 2 21 GLU H . . 5.470 4.083 4.083 4.083 . 0 0 "[ ]" 1
504 2 21 GLU H 2 21 GLU HB2 . . 2.900 2.272 2.272 2.272 . 0 0 "[ ]" 1
505 2 21 GLU H 2 21 GLU HB3 . . 3.420 3.511 3.511 3.511 0.091 1 0 "[ ]" 1
506 2 21 GLU H 2 22 LEU H . . 2.860 2.680 2.680 2.680 . 0 0 "[ ]" 1
507 2 21 GLU H 2 22 LEU QD . . 7.940 5.454 5.454 5.454 . 0 0 "[ ]" 1
508 2 21 GLU HA 2 22 LEU H . . 3.580 3.608 3.608 3.608 0.028 1 0 "[ ]" 1
509 2 21 GLU HA 2 24 SER H . . 3.670 3.408 3.408 3.408 . 0 0 "[ ]" 1
510 2 21 GLU HB2 2 22 LEU H . . 3.300 2.738 2.738 2.738 . 0 0 "[ ]" 1
511 2 21 GLU HB3 2 22 LEU H . . 3.580 3.500 3.500 3.500 . 0 0 "[ ]" 1
512 2 22 LEU H 2 22 LEU HA . . 2.830 2.752 2.752 2.752 . 0 0 "[ ]" 1
513 2 22 LEU H 2 22 LEU HB2 . . 2.930 2.252 2.252 2.252 . 0 0 "[ ]" 1
514 2 22 LEU H 2 22 LEU HB3 . . 2.960 2.631 2.631 2.631 . 0 0 "[ ]" 1
515 2 22 LEU H 2 22 LEU HG . . 5.130 4.509 4.509 4.509 . 0 0 "[ ]" 1
516 2 22 LEU H 2 22 LEU MD1 . . 5.780 4.169 4.169 4.169 . 0 0 "[ ]" 1
517 2 22 LEU H 2 22 LEU MD2 . . 5.780 3.759 3.759 3.759 . 0 0 "[ ]" 1
518 2 22 LEU H 2 23 ILE H . . 3.080 3.030 3.030 3.030 . 0 0 "[ ]" 1
519 2 22 LEU HA 2 25 ALA H . . 4.070 3.375 3.375 3.375 . 0 0 "[ ]" 1
520 2 22 LEU HB2 2 23 ILE H . . 3.610 3.594 3.594 3.594 . 0 0 "[ ]" 1
521 2 22 LEU HG 2 23 ILE H . . 4.260 4.357 4.357 4.357 0.097 1 0 "[ ]" 1
522 2 22 LEU QD 2 23 ILE H . . 7.260 2.804 2.804 2.804 . 0 0 "[ ]" 1
523 2 22 LEU QD 2 25 ALA H . . 8.040 3.963 3.963 3.963 . 0 0 "[ ]" 1
524 2 23 ILE H 2 23 ILE HB . . 2.490 2.191 2.191 2.191 . 0 0 "[ ]" 1
525 2 23 ILE H 2 23 ILE MG . . 4.730 3.624 3.624 3.624 . 0 0 "[ ]" 1
526 2 23 ILE H 2 23 ILE HG12 . . 3.730 3.849 3.849 3.849 0.119 1 0 "[ ]" 1
527 2 23 ILE H 2 23 ILE MD . . 5.230 1.926 1.926 1.926 . 0 0 "[ ]" 1
528 2 23 ILE H 2 24 SER H . . 3.080 2.815 2.815 2.815 . 0 0 "[ ]" 1
529 2 23 ILE HA 2 26 MET H . . 3.920 3.726 3.726 3.726 . 0 0 "[ ]" 1
530 2 23 ILE HB 2 24 SER H . . 2.930 2.921 2.921 2.921 . 0 0 "[ ]" 1
531 2 23 ILE MG 2 24 SER H . . 4.920 3.076 3.076 3.076 . 0 0 "[ ]" 1
532 2 23 ILE MG 2 27 GLU H . . 6.500 4.187 4.187 4.187 . 0 0 "[ ]" 1
533 2 23 ILE HG13 2 24 SER H . . 5.310 5.133 5.133 5.133 . 0 0 "[ ]" 1
534 2 24 SER H 2 24 SER HB2 . . 3.450 2.182 2.182 2.182 . 0 0 "[ ]" 1
535 2 24 SER H 2 24 SER HB3 . . 3.450 3.469 3.469 3.469 0.019 1 0 "[ ]" 1
536 2 24 SER H 2 24 SER QB . . 3.030 2.160 2.160 2.160 . 0 0 "[ ]" 1
537 2 24 SER H 2 25 ALA H . . 2.960 2.645 2.645 2.645 . 0 0 "[ ]" 1
538 2 24 SER HA 2 25 ALA H . . 3.550 3.594 3.594 3.594 0.044 1 0 "[ ]" 1
539 2 24 SER HA 2 27 GLU H . . 3.760 3.486 3.486 3.486 . 0 0 "[ ]" 1
540 2 24 SER HB2 2 25 ALA H . . 3.360 2.878 2.878 2.878 . 0 0 "[ ]" 1
541 2 24 SER HB3 2 25 ALA H . . 3.360 3.462 3.462 3.462 0.102 1 0 "[ ]" 1
542 2 24 SER QB 2 25 ALA H . . 3.070 2.744 2.744 2.744 . 0 0 "[ ]" 1
543 2 25 ALA H 2 25 ALA HA . . 2.770 2.758 2.758 2.758 . 0 0 "[ ]" 1
544 2 25 ALA H 2 25 ALA MB . . 3.640 2.013 2.013 2.013 . 0 0 "[ ]" 1
545 2 25 ALA H 2 26 MET H . . 3.020 2.863 2.863 2.863 . 0 0 "[ ]" 1
546 2 25 ALA HA 2 28 GLU H . . 3.610 3.616 3.616 3.616 0.006 1 0 "[ ]" 1
547 2 25 ALA MB 2 26 MET H . . 3.950 2.524 2.524 2.524 . 0 0 "[ ]" 1
548 2 25 ALA MB 2 28 GLU H . . 6.530 4.666 4.666 4.666 . 0 0 "[ ]" 1
549 2 26 MET H 2 26 MET HB2 . . 3.240 2.332 2.332 2.332 . 0 0 "[ ]" 1
550 2 26 MET H 2 26 MET HG2 . . 3.520 3.272 3.272 3.272 . 0 0 "[ ]" 1
551 2 26 MET H 2 26 MET HG3 . . 3.170 2.310 2.310 2.310 . 0 0 "[ ]" 1
552 2 26 MET H 2 26 MET ME . . 6.530 4.052 4.052 4.052 . 0 0 "[ ]" 1
553 2 26 MET H 2 27 GLU H . . 2.860 2.891 2.891 2.891 0.031 1 0 "[ ]" 1
554 2 26 MET HA 2 29 LYS H . . 3.550 3.253 3.253 3.253 . 0 0 "[ ]" 1
555 2 26 MET HA 2 30 PHE H . . 3.730 3.215 3.215 3.215 . 0 0 "[ ]" 1
556 2 26 MET HA 2 30 PHE QD . . 7.620 2.653 2.653 2.653 . 0 0 "[ ]" 1
557 2 26 MET HA 2 30 PHE QE . . 7.620 3.272 3.272 3.272 . 0 0 "[ ]" 1
558 2 26 MET HB2 2 27 GLU H . . 3.480 2.518 2.518 2.518 . 0 0 "[ ]" 1
559 2 26 MET HG2 2 30 PHE H . . 4.850 4.974 4.974 4.974 0.124 1 0 "[ ]" 1
560 2 26 MET HG2 2 30 PHE QD . . 7.620 3.348 3.348 3.348 . 0 0 "[ ]" 1
561 2 26 MET HG2 2 30 PHE QE . . 7.620 2.174 2.174 2.174 . 0 0 "[ ]" 1
562 2 26 MET HG3 2 27 GLU H . . 4.350 4.480 4.480 4.480 0.130 1 0 "[ ]" 1
563 2 26 MET ME 2 30 PHE QD . . 8.650 5.202 5.202 5.202 . 0 0 "[ ]" 1
564 2 26 MET ME 2 30 PHE QE . . 8.650 3.835 3.835 3.835 . 0 0 "[ ]" 1
565 2 26 MET ME 2 30 PHE HZ . . 6.530 5.074 5.074 5.074 . 0 0 "[ ]" 1
566 2 27 GLU H 2 27 GLU HB2 . . 3.020 2.266 2.266 2.266 . 0 0 "[ ]" 1
567 2 27 GLU H 2 27 GLU HB3 . . 3.420 3.511 3.511 3.511 0.091 1 0 "[ ]" 1
568 2 27 GLU H 2 27 GLU HG2 . . 5.500 3.623 3.623 3.623 . 0 0 "[ ]" 1
569 2 27 GLU H 2 27 GLU HG3 . . 5.500 2.562 2.562 2.562 . 0 0 "[ ]" 1
570 2 27 GLU H 2 27 GLU QG . . 4.760 2.512 2.512 2.512 . 0 0 "[ ]" 1
571 2 27 GLU H 2 28 GLU H . . 3.240 2.948 2.948 2.948 . 0 0 "[ ]" 1
572 2 27 GLU HA 2 30 PHE H . . 4.510 4.413 4.413 4.413 . 0 0 "[ ]" 1
573 2 27 GLU HA 2 30 PHE QD . . 7.620 4.349 4.349 4.349 . 0 0 "[ ]" 1
574 2 27 GLU HB2 2 28 GLU H . . 3.390 2.751 2.751 2.751 . 0 0 "[ ]" 1
575 2 27 GLU HB3 2 28 GLU H . . 3.240 3.306 3.306 3.306 0.066 1 0 "[ ]" 1
576 2 27 GLU QG 2 28 GLU H . . 6.380 4.346 4.346 4.346 . 0 0 "[ ]" 1
577 2 28 GLU H 2 28 GLU HA . . 2.900 2.832 2.832 2.832 . 0 0 "[ ]" 1
578 2 28 GLU H 2 28 GLU HB2 . . 2.710 2.401 2.401 2.401 . 0 0 "[ ]" 1
579 2 28 GLU H 2 28 GLU HB3 . . 2.800 2.622 2.622 2.622 . 0 0 "[ ]" 1
580 2 28 GLU H 2 28 GLU HG2 . . 4.450 4.445 4.445 4.445 . 0 0 "[ ]" 1
581 2 28 GLU H 2 28 GLU HG3 . . 4.450 4.378 4.378 4.378 . 0 0 "[ ]" 1
582 2 28 GLU H 2 28 GLU QG . . 4.240 3.929 3.929 3.929 . 0 0 "[ ]" 1
583 2 28 GLU H 2 29 LYS H . . 2.960 2.529 2.529 2.529 . 0 0 "[ ]" 1
584 2 28 GLU HA 2 29 LYS H . . 3.640 3.620 3.620 3.620 . 0 0 "[ ]" 1
585 2 28 GLU HA 2 31 GLY H . . 3.860 3.311 3.311 3.311 . 0 0 "[ ]" 1
586 2 28 GLU HB3 2 29 LYS H . . 2.860 2.542 2.542 2.542 . 0 0 "[ ]" 1
587 2 28 GLU QG 2 29 LYS H . . 6.380 3.935 3.935 3.935 . 0 0 "[ ]" 1
588 2 29 LYS H 2 29 LYS HA . . 2.930 2.739 2.739 2.739 . 0 0 "[ ]" 1
589 2 29 LYS H 2 29 LYS HB2 . . 2.930 2.497 2.497 2.497 . 0 0 "[ ]" 1
590 2 29 LYS H 2 29 LYS HB3 . . 2.830 2.424 2.424 2.424 . 0 0 "[ ]" 1
591 2 29 LYS H 2 29 LYS HG2 . . 5.500 4.562 4.562 4.562 . 0 0 "[ ]" 1
592 2 29 LYS H 2 29 LYS HG3 . . 5.500 4.358 4.358 4.358 . 0 0 "[ ]" 1
593 2 29 LYS H 2 30 PHE H . . 3.210 3.076 3.076 3.076 . 0 0 "[ ]" 1
594 2 29 LYS HA 2 30 PHE H . . 3.580 3.639 3.639 3.639 0.059 1 0 "[ ]" 1
595 2 29 LYS HB2 2 30 PHE H . . 3.830 3.763 3.763 3.763 . 0 0 "[ ]" 1
596 2 29 LYS HB2 2 30 PHE QD . . 7.620 4.875 4.875 4.875 . 0 0 "[ ]" 1
597 2 29 LYS HB2 2 30 PHE QE . . 7.620 5.399 5.399 5.399 . 0 0 "[ ]" 1
598 2 29 LYS HB3 2 30 PHE H . . 3.610 2.282 2.282 2.282 . 0 0 "[ ]" 1
599 2 29 LYS HB3 2 30 PHE QD . . 7.620 3.202 3.202 3.202 . 0 0 "[ ]" 1
600 2 29 LYS HB3 2 30 PHE QE . . 7.620 4.045 4.045 4.045 . 0 0 "[ ]" 1
601 2 29 LYS QG 2 30 PHE QD . . 8.500 3.683 3.683 3.683 . 0 0 "[ ]" 1
602 2 29 LYS QG 2 30 PHE QE . . 8.500 3.766 3.766 3.766 . 0 0 "[ ]" 1
603 2 29 LYS HE2 2 30 PHE QE . . 7.620 5.361 5.361 5.361 . 0 0 "[ ]" 1
604 2 30 PHE H 2 30 PHE HB2 . . 3.050 2.283 2.283 2.283 . 0 0 "[ ]" 1
605 2 30 PHE H 2 30 PHE HB3 . . 3.450 3.461 3.461 3.461 0.011 1 0 "[ ]" 1
606 2 30 PHE H 2 31 GLY H . . 2.860 2.644 2.644 2.644 . 0 0 "[ ]" 1
607 2 30 PHE HA 2 31 GLY H . . 3.360 3.357 3.357 3.357 . 0 0 "[ ]" 1
608 2 30 PHE HB2 2 31 GLY H . . 3.860 3.415 3.415 3.415 . 0 0 "[ ]" 1
609 2 30 PHE HB3 2 31 GLY H . . 4.790 4.227 4.227 4.227 . 0 0 "[ ]" 1
610 2 30 PHE QD 2 32 VAL HB . . 7.620 4.880 4.880 4.880 . 0 0 "[ ]" 1
611 2 30 PHE QE 2 32 VAL HB . . 7.620 6.795 6.795 6.795 . 0 0 "[ ]" 1
612 2 31 GLY H 2 32 VAL H . . 3.050 3.001 3.001 3.001 . 0 0 "[ ]" 1
613 2 31 GLY H 2 32 VAL QG . . 7.620 3.998 3.998 3.998 . 0 0 "[ ]" 1
614 2 32 VAL H 2 32 VAL HB . . 3.270 2.794 2.794 2.794 . 0 0 "[ ]" 1
615 2 32 VAL H 2 33 SER H . . 3.330 3.135 3.135 3.135 . 0 0 "[ ]" 1
616 2 32 VAL HA 2 33 SER H . . 2.830 2.796 2.796 2.796 . 0 0 "[ ]" 1
617 2 32 VAL QG 2 33 SER H . . 6.820 3.545 3.545 3.545 . 0 0 "[ ]" 1
618 2 33 SER H 2 33 SER HA . . 2.900 2.882 2.882 2.882 . 0 0 "[ ]" 1
619 2 33 SER H 2 33 SER QB . . 3.830 2.807 2.807 2.807 . 0 0 "[ ]" 1
620 2 33 SER H 2 34 ALA H . . 4.690 2.990 2.990 2.990 . 0 0 "[ ]" 1
621 2 33 SER HA 2 34 ALA H . . 2.650 2.562 2.562 2.562 . 0 0 "[ ]" 1
622 2 33 SER QB 2 34 ALA H . . 4.550 3.969 3.969 3.969 . 0 0 "[ ]" 1
623 2 34 ALA H 2 35 ALA H . . 3.360 2.922 2.922 2.922 . 0 0 "[ ]" 1
624 2 34 ALA HA 2 35 ALA H . . 2.830 2.378 2.378 2.378 . 0 0 "[ ]" 1
625 2 35 ALA H 2 35 ALA HA . . 2.860 2.925 2.925 2.925 0.065 1 0 "[ ]" 1
626 2 35 ALA H 2 36 ALA H . . 3.890 2.492 2.492 2.492 . 0 0 "[ ]" 1
627 2 35 ALA HA 2 36 ALA H . . 2.740 3.632 3.632 3.632 0.892 1 1 [+] 1
628 2 35 ALA MB 2 36 ALA H . . 4.420 1.911 1.911 1.911 . 0 0 "[ ]" 1
629 2 36 ALA H 2 36 ALA HA . . 2.650 2.919 2.919 2.919 0.269 1 0 "[ ]" 1
630 2 36 ALA HA 2 37 ALA H . . 2.620 3.631 3.631 3.631 1.011 1 1 [+] 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 10
_Distance_constraint_stats_list.Viol_count 2
_Distance_constraint_stats_list.Viol_total 1.184
_Distance_constraint_stats_list.Viol_max 0.814
_Distance_constraint_stats_list.Viol_rms 0.2781
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1184
_Distance_constraint_stats_list.Viol_average_violations_only 0.5918
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 ILE 1.184 0.814 1 1 [+]
1 8 ILE 0.000 0.000 . 0 "[ ]"
1 10 ALA 0.814 0.814 1 1 [+]
1 11 VAL 0.370 0.370 1 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 ILE H 1 7 ILE MG . . 4.700 3.631 3.631 3.631 . 0 0 "[ ]" 2
2 1 7 ILE H 1 7 ILE QG . . 4.390 2.570 2.570 2.570 . 0 0 "[ ]" 2
3 1 7 ILE H 1 7 ILE MD . . 4.450 3.421 3.421 3.421 . 0 0 "[ ]" 2
4 1 7 ILE MG 1 8 ILE H . . 5.720 3.536 3.536 3.536 . 0 0 "[ ]" 2
5 1 7 ILE MG 1 10 ALA H . . 6.000 4.291 4.291 4.291 . 0 0 "[ ]" 2
6 1 7 ILE MD 1 8 ILE H . . 6.530 4.853 4.853 4.853 . 0 0 "[ ]" 2
7 1 7 ILE MD 1 10 ALA H . . 5.540 6.354 6.354 6.354 0.814 1 1 [+] 2
8 1 7 ILE MD 1 11 VAL H . . 6.530 6.900 6.900 6.900 0.370 1 0 "[ ]" 2
9 1 7 ILE HA 1 10 ALA H . . 4.450 3.302 3.302 3.302 . 0 0 "[ ]" 2
10 1 7 ILE HA 1 11 VAL H . . 4.760 4.506 4.506 4.506 . 0 0 "[ ]" 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 668
_Distance_constraint_stats_list.Viol_count 42
_Distance_constraint_stats_list.Viol_total 6.695
_Distance_constraint_stats_list.Viol_max 1.014
_Distance_constraint_stats_list.Viol_rms 0.0765
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0100
_Distance_constraint_stats_list.Viol_average_violations_only 0.1594
_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 47 ALA 1.225 1.014 1 1 [+]
1 48 ALA 2.013 1.014 1 1 [+]
1 49 GLU 2.374 0.999 1 1 [+]
1 50 GLU 2.346 0.934 1 1 [+]
1 51 LYS 1.051 0.775 1 1 [+]
1 52 THR 0.288 0.178 1 0 "[ ]"
1 53 GLU 0.207 0.110 1 0 "[ ]"
1 54 PHE 0.006 0.006 1 0 "[ ]"
1 55 ASP 0.006 0.006 1 0 "[ ]"
1 56 VAL 0.000 0.000 . 0 "[ ]"
1 57 ILE 0.000 0.000 . 0 "[ ]"
1 58 LEU 0.023 0.023 1 0 "[ ]"
1 59 LYS 0.220 0.123 1 0 "[ ]"
1 60 ALA 0.066 0.066 1 0 "[ ]"
1 61 ALA 0.099 0.068 1 0 "[ ]"
1 62 GLY 0.005 0.005 1 0 "[ ]"
1 63 ALA 0.074 0.074 1 0 "[ ]"
1 64 ASN 0.104 0.074 1 0 "[ ]"
1 65 LYS 0.210 0.106 1 0 "[ ]"
1 66 VAL 0.106 0.106 1 0 "[ ]"
1 67 ALA 0.000 0.000 . 0 "[ ]"
1 68 VAL 0.037 0.037 1 0 "[ ]"
1 69 ILE 0.046 0.037 1 0 "[ ]"
1 70 LYS 0.009 0.009 1 0 "[ ]"
1 71 ALA 0.000 0.000 . 0 "[ ]"
1 72 VAL 0.000 0.000 . 0 "[ ]"
1 73 ARG 0.000 0.000 . 0 "[ ]"
1 74 GLY 0.000 0.000 . 0 "[ ]"
1 75 ALA 0.000 0.000 . 0 "[ ]"
1 76 THR 0.013 0.013 1 0 "[ ]"
1 77 GLY 0.013 0.013 1 0 "[ ]"
1 78 LEU 0.085 0.085 1 0 "[ ]"
1 79 GLY 0.066 0.066 1 0 "[ ]"
1 80 LEU 0.160 0.094 1 0 "[ ]"
1 81 LYS 0.094 0.094 1 0 "[ ]"
1 82 GLU 0.169 0.085 1 0 "[ ]"
1 83 ALA 0.000 0.000 . 0 "[ ]"
1 84 LYS 0.000 0.000 . 0 "[ ]"
1 85 ASP 0.084 0.084 1 0 "[ ]"
1 86 LEU 0.000 0.000 . 0 "[ ]"
1 87 VAL 0.000 0.000 . 0 "[ ]"
1 88 GLU 0.042 0.042 1 0 "[ ]"
1 89 SER 0.042 0.042 1 0 "[ ]"
1 90 ALA 0.001 0.001 1 0 "[ ]"
1 91 PRO 0.000 0.000 . 0 "[ ]"
1 92 ALA 0.123 0.123 1 0 "[ ]"
1 93 ALA 0.000 0.000 . 0 "[ ]"
1 94 LEU 0.000 0.000 . 0 "[ ]"
1 95 LYS 0.110 0.110 1 0 "[ ]"
1 96 GLU 0.203 0.110 1 0 "[ ]"
1 97 GLY 0.033 0.033 1 0 "[ ]"
1 98 VAL 0.000 0.000 . 0 "[ ]"
1 99 SER 0.042 0.042 1 0 "[ ]"
1 100 LYS 0.000 0.000 . 0 "[ ]"
1 101 ASP 0.040 0.040 1 0 "[ ]"
1 102 ASP 0.042 0.042 1 0 "[ ]"
1 103 ALA 0.000 0.000 . 0 "[ ]"
1 104 GLU 0.000 0.000 . 0 "[ ]"
1 105 ALA 0.118 0.118 1 0 "[ ]"
1 106 LEU 0.000 0.000 . 0 "[ ]"
1 107 LYS 0.000 0.000 . 0 "[ ]"
1 108 LYS 0.118 0.118 1 0 "[ ]"
1 109 ALA 0.000 0.000 . 0 "[ ]"
1 110 LEU 0.140 0.121 1 0 "[ ]"
1 111 GLU 0.000 0.000 . 0 "[ ]"
1 112 GLU 0.000 0.000 . 0 "[ ]"
1 113 ALA 0.034 0.034 1 0 "[ ]"
1 114 GLY 0.000 0.000 . 0 "[ ]"
1 115 ALA 0.034 0.034 1 0 "[ ]"
1 116 GLU 0.092 0.068 1 0 "[ ]"
1 117 VAL 0.024 0.024 1 0 "[ ]"
1 118 GLU 0.054 0.054 1 0 "[ ]"
1 119 VAL 0.100 0.054 1 0 "[ ]"
1 120 LYS 0.046 0.046 1 0 "[ ]"
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 47 ALA H 1 47 ALA HA . . 2.600 2.811 2.811 2.811 0.211 1 0 "[ ]" 3
2 1 47 ALA HA 1 48 ALA H . . 2.570 3.584 3.584 3.584 1.014 1 1 [+] 3
3 1 47 ALA MB 1 49 GLU H . . 5.570 4.451 4.451 4.451 . 0 0 "[ ]" 3
4 1 48 ALA H 1 48 ALA HA . . 2.910 2.763 2.763 2.763 . 0 0 "[ ]" 3
5 1 48 ALA HA 1 49 GLU H . . 2.570 3.569 3.569 3.569 0.999 1 1 [+] 3
6 1 49 GLU H 1 49 GLU HB2 . . 3.050 2.312 2.312 2.312 . 0 0 "[ ]" 3
7 1 49 GLU H 1 49 GLU HB3 . . 3.640 3.528 3.528 3.528 . 0 0 "[ ]" 3
8 1 49 GLU HA 1 50 GLU H . . 2.570 3.504 3.504 3.504 0.934 1 1 [+] 3
9 1 49 GLU HB3 1 50 GLU H . . 3.510 3.951 3.951 3.951 0.441 1 0 "[ ]" 3
10 1 50 GLU H 1 50 GLU HB2 . . 2.870 2.267 2.267 2.267 . 0 0 "[ ]" 3
11 1 50 GLU H 1 50 GLU HB3 . . 3.330 3.526 3.526 3.526 0.196 1 0 "[ ]" 3
12 1 50 GLU HA 1 51 LYS H . . 2.570 3.345 3.345 3.345 0.775 1 1 [+] 3
13 1 50 GLU HB2 1 51 LYS H . . 4.690 3.607 3.607 3.607 . 0 0 "[ ]" 3
14 1 50 GLU HB3 1 51 LYS H . . 4.320 4.183 4.183 4.183 . 0 0 "[ ]" 3
15 1 50 GLU QG 1 51 LYS H . . 8.100 4.513 4.513 4.513 . 0 0 "[ ]" 3
16 1 51 LYS H 1 51 LYS HG2 . . 5.740 4.552 4.552 4.552 . 0 0 "[ ]" 3
17 1 51 LYS H 1 51 LYS HG3 . . 5.740 3.867 3.867 3.867 . 0 0 "[ ]" 3
18 1 51 LYS HA 1 52 THR H . . 2.570 2.748 2.748 2.748 0.178 1 0 "[ ]" 3
19 1 51 LYS HA 1 53 GLU H . . 3.360 3.457 3.457 3.457 0.097 1 0 "[ ]" 3
20 1 51 LYS QB 1 52 THR H . . 5.050 3.992 3.992 3.992 . 0 0 "[ ]" 3
21 1 51 LYS QB 1 54 PHE QD . . 8.500 5.706 5.706 5.706 . 0 0 "[ ]" 3
22 1 51 LYS QB 1 54 PHE QE . . 8.500 4.030 4.030 4.030 . 0 0 "[ ]" 3
23 1 51 LYS QB 1 54 PHE HZ . . 6.380 5.021 5.021 5.021 . 0 0 "[ ]" 3
24 1 51 LYS QG 1 52 THR H . . 7.620 4.775 4.775 4.775 . 0 0 "[ ]" 3
25 1 51 LYS QG 1 53 GLU H . . 6.480 4.980 4.980 4.980 . 0 0 "[ ]" 3
26 1 51 LYS QG 1 54 PHE QE . . 8.500 5.138 5.138 5.138 . 0 0 "[ ]" 3
27 1 51 LYS QG 1 54 PHE HZ . . 6.380 5.795 5.795 5.795 . 0 0 "[ ]" 3
28 1 52 THR H 1 52 THR HG1 . . 2.800 2.618 2.618 2.618 . 0 0 "[ ]" 3
29 1 52 THR H 1 53 GLU H . . 2.570 2.680 2.680 2.680 0.110 1 0 "[ ]" 3
30 1 52 THR HA 1 53 GLU H . . 3.400 2.837 2.837 2.837 . 0 0 "[ ]" 3
31 1 52 THR HA 1 54 PHE QD . . 7.620 2.892 2.892 2.892 . 0 0 "[ ]" 3
32 1 52 THR HA 1 54 PHE QE . . 7.620 2.994 2.994 2.994 . 0 0 "[ ]" 3
33 1 52 THR HA 1 54 PHE HZ . . 5.500 5.446 5.446 5.446 . 0 0 "[ ]" 3
34 1 52 THR HB 1 53 GLU H . . 5.000 4.564 4.564 4.564 . 0 0 "[ ]" 3
35 1 52 THR MG 1 53 GLU H . . 5.930 4.405 4.405 4.405 . 0 0 "[ ]" 3
36 1 53 GLU H 1 54 PHE H . . 4.870 3.679 3.679 3.679 . 0 0 "[ ]" 3
37 1 53 GLU HA 1 54 PHE H . . 2.570 2.381 2.381 2.381 . 0 0 "[ ]" 3
38 1 53 GLU HA 1 54 PHE QD . . 7.620 3.943 3.943 3.943 . 0 0 "[ ]" 3
39 1 53 GLU HA 1 98 VAL H . . 3.910 3.317 3.317 3.317 . 0 0 "[ ]" 3
40 1 53 GLU QB 1 97 GLY H . . 8.100 3.960 3.960 3.960 . 0 0 "[ ]" 3
41 1 53 GLU QB 1 98 VAL H . . 7.500 4.722 4.722 4.722 . 0 0 "[ ]" 3
42 1 53 GLU QG 1 54 PHE H . . 7.480 4.405 4.405 4.405 . 0 0 "[ ]" 3
43 1 54 PHE H 1 54 PHE HB2 . . 3.210 2.197 2.197 2.197 . 0 0 "[ ]" 3
44 1 54 PHE H 1 54 PHE HB3 . . 4.080 3.479 3.479 3.479 . 0 0 "[ ]" 3
45 1 54 PHE H 1 55 ASP H . . 4.570 4.554 4.554 4.554 . 0 0 "[ ]" 3
46 1 54 PHE H 1 97 GLY HA2 . . 5.340 3.349 3.349 3.349 . 0 0 "[ ]" 3
47 1 54 PHE H 1 97 GLY HA3 . . 6.740 4.962 4.962 4.962 . 0 0 "[ ]" 3
48 1 54 PHE H 1 98 VAL H . . 2.980 2.682 2.682 2.682 . 0 0 "[ ]" 3
49 1 54 PHE H 1 98 VAL MG2 . . 5.340 3.427 3.427 3.427 . 0 0 "[ ]" 3
50 1 54 PHE H 1 103 ALA MB . . 8.340 4.305 4.305 4.305 . 0 0 "[ ]" 3
51 1 54 PHE HA 1 55 ASP H . . 2.570 2.285 2.285 2.285 . 0 0 "[ ]" 3
52 1 54 PHE HB2 1 55 ASP H . . 4.200 4.206 4.206 4.206 0.006 1 0 "[ ]" 3
53 1 54 PHE HB2 1 98 VAL H . . 6.740 3.777 3.777 3.777 . 0 0 "[ ]" 3
54 1 54 PHE HB3 1 55 ASP H . . 3.210 3.075 3.075 3.075 . 0 0 "[ ]" 3
55 1 54 PHE HB3 1 120 LYS H . . 6.740 4.755 4.755 4.755 . 0 0 "[ ]" 3
56 1 54 PHE QD 1 55 ASP H . . 10.140 3.987 3.987 3.987 . 0 0 "[ ]" 3
57 1 54 PHE QD 1 98 VAL H . . 10.140 4.949 4.949 4.949 . 0 0 "[ ]" 3
58 1 54 PHE QD 1 99 SER HA . . 7.620 4.037 4.037 4.037 . 0 0 "[ ]" 3
59 1 54 PHE QD 1 100 LYS H . . 10.140 3.540 3.540 3.540 . 0 0 "[ ]" 3
60 1 54 PHE QD 1 100 LYS HA . . 7.620 3.454 3.454 3.454 . 0 0 "[ ]" 3
61 1 54 PHE QD 1 100 LYS QB . . 8.500 3.114 3.114 3.114 . 0 0 "[ ]" 3
62 1 54 PHE QD 1 100 LYS QG . . 8.500 3.559 3.559 3.559 . 0 0 "[ ]" 3
63 1 54 PHE QD 1 103 ALA MB . . 8.650 3.687 3.687 3.687 . 0 0 "[ ]" 3
64 1 54 PHE QD 1 119 VAL QG . . 9.740 2.501 2.501 2.501 . 0 0 "[ ]" 3
65 1 54 PHE QD 1 120 LYS HA . . 7.620 5.283 5.283 5.283 . 0 0 "[ ]" 3
66 1 54 PHE QE 1 100 LYS H . . 9.940 4.168 4.168 4.168 . 0 0 "[ ]" 3
67 1 54 PHE QE 1 100 LYS HA . . 7.620 4.410 4.410 4.410 . 0 0 "[ ]" 3
68 1 54 PHE QE 1 100 LYS QB . . 8.500 2.782 2.782 2.782 . 0 0 "[ ]" 3
69 1 54 PHE QE 1 100 LYS QG . . 8.500 3.161 3.161 3.161 . 0 0 "[ ]" 3
70 1 54 PHE QE 1 100 LYS QE . . 8.500 4.326 4.326 4.326 . 0 0 "[ ]" 3
71 1 54 PHE QE 1 119 VAL QG . . 9.740 3.551 3.551 3.551 . 0 0 "[ ]" 3
72 1 54 PHE HZ 1 100 LYS H . . 6.740 5.880 5.880 5.880 . 0 0 "[ ]" 3
73 1 54 PHE HZ 1 100 LYS HA . . 5.500 5.456 5.456 5.456 . 0 0 "[ ]" 3
74 1 54 PHE HZ 1 100 LYS QB . . 6.380 3.628 3.628 3.628 . 0 0 "[ ]" 3
75 1 54 PHE HZ 1 100 LYS HG2 . . 5.500 4.738 4.738 4.738 . 0 0 "[ ]" 3
76 1 54 PHE HZ 1 100 LYS HG3 . . 5.500 3.318 3.318 3.318 . 0 0 "[ ]" 3
77 1 54 PHE HZ 1 100 LYS QE . . 6.380 4.761 4.761 4.761 . 0 0 "[ ]" 3
78 1 55 ASP H 1 56 VAL H . . 5.220 4.423 4.423 4.423 . 0 0 "[ ]" 3
79 1 55 ASP H 1 56 VAL MG2 . . 8.340 4.240 4.240 4.240 . 0 0 "[ ]" 3
80 1 55 ASP H 1 96 GLU HA . . 6.740 5.187 5.187 5.187 . 0 0 "[ ]" 3
81 1 55 ASP H 1 103 ALA MB . . 8.340 4.731 4.731 4.731 . 0 0 "[ ]" 3
82 1 55 ASP H 1 119 VAL QG . . 9.420 3.941 3.941 3.941 . 0 0 "[ ]" 3
83 1 55 ASP H 1 120 LYS H . . 3.720 3.128 3.128 3.128 . 0 0 "[ ]" 3
84 1 55 ASP H 1 120 LYS QB . . 7.620 5.105 5.105 5.105 . 0 0 "[ ]" 3
85 1 55 ASP H 1 120 LYS QG . . 7.620 3.680 3.680 3.680 . 0 0 "[ ]" 3
86 1 55 ASP HA 1 56 VAL H . . 2.600 2.269 2.269 2.269 . 0 0 "[ ]" 3
87 1 55 ASP HA 1 56 VAL MG2 . . 6.530 3.699 3.699 3.699 . 0 0 "[ ]" 3
88 1 55 ASP HA 1 96 GLU HA . . 3.210 2.621 2.621 2.621 . 0 0 "[ ]" 3
89 1 55 ASP HA 1 97 GLY H . . 3.560 3.078 3.078 3.078 . 0 0 "[ ]" 3
90 1 55 ASP HA 1 98 VAL MG2 . . 6.530 3.420 3.420 3.420 . 0 0 "[ ]" 3
91 1 55 ASP QB 1 96 GLU HA . . 6.380 3.572 3.572 3.572 . 0 0 "[ ]" 3
92 1 55 ASP QB 1 97 GLY H . . 8.100 4.330 4.330 4.330 . 0 0 "[ ]" 3
93 1 55 ASP QB 1 120 LYS H . . 8.100 3.179 3.179 3.179 . 0 0 "[ ]" 3
94 1 56 VAL H 1 56 VAL HB . . 3.020 2.493 2.493 2.493 . 0 0 "[ ]" 3
95 1 56 VAL H 1 57 ILE H . . 5.700 4.276 4.276 4.276 . 0 0 "[ ]" 3
96 1 56 VAL H 1 57 ILE HA . . 6.740 4.856 4.856 4.856 . 0 0 "[ ]" 3
97 1 56 VAL H 1 93 ALA MB . . 8.340 4.734 4.734 4.734 . 0 0 "[ ]" 3
98 1 56 VAL H 1 94 LEU H . . 5.650 4.212 4.212 4.212 . 0 0 "[ ]" 3
99 1 56 VAL H 1 94 LEU HB3 . . 6.150 5.299 5.299 5.299 . 0 0 "[ ]" 3
100 1 56 VAL H 1 95 LYS H . . 3.210 2.794 2.794 2.794 . 0 0 "[ ]" 3
101 1 56 VAL H 1 95 LYS HB2 . . 6.280 3.237 3.237 3.237 . 0 0 "[ ]" 3
102 1 56 VAL H 1 95 LYS HB3 . . 6.740 4.781 4.781 4.781 . 0 0 "[ ]" 3
103 1 56 VAL H 1 96 GLU HA . . 3.910 3.843 3.843 3.843 . 0 0 "[ ]" 3
104 1 56 VAL H 1 98 VAL MG2 . . 5.970 3.613 3.613 3.613 . 0 0 "[ ]" 3
105 1 56 VAL HA 1 57 ILE H . . 2.640 2.187 2.187 2.187 . 0 0 "[ ]" 3
106 1 56 VAL HA 1 119 VAL HA . . 3.390 3.083 3.083 3.083 . 0 0 "[ ]" 3
107 1 56 VAL HB 1 57 ILE H . . 4.450 4.429 4.429 4.429 . 0 0 "[ ]" 3
108 1 56 VAL HB 1 94 LEU H . . 6.190 4.012 4.012 4.012 . 0 0 "[ ]" 3
109 1 56 VAL HB 1 95 LYS H . . 3.640 2.808 2.808 2.808 . 0 0 "[ ]" 3
110 1 56 VAL MG1 1 57 ILE H . . 5.970 3.138 3.138 3.138 . 0 0 "[ ]" 3
111 1 56 VAL MG2 1 57 ILE H . . 8.340 4.207 4.207 4.207 . 0 0 "[ ]" 3
112 1 56 VAL MG2 1 95 LYS H . . 6.740 4.119 4.119 4.119 . 0 0 "[ ]" 3
113 1 56 VAL MG2 1 103 ALA H . . 7.310 4.030 4.030 4.030 . 0 0 "[ ]" 3
114 1 56 VAL MG2 1 106 LEU H . . 7.360 4.646 4.646 4.646 . 0 0 "[ ]" 3
115 1 56 VAL MG2 1 107 LYS H . . 8.340 4.007 4.007 4.007 . 0 0 "[ ]" 3
116 1 56 VAL MG2 1 120 LYS H . . 8.340 4.573 4.573 4.573 . 0 0 "[ ]" 3
117 1 57 ILE H 1 57 ILE HB . . 3.050 2.379 2.379 2.379 . 0 0 "[ ]" 3
118 1 57 ILE H 1 57 ILE MD . . 5.340 3.547 3.547 3.547 . 0 0 "[ ]" 3
119 1 57 ILE H 1 58 LEU H . . 5.650 4.533 4.533 4.533 . 0 0 "[ ]" 3
120 1 57 ILE H 1 93 ALA MB . . 8.340 5.625 5.625 5.625 . 0 0 "[ ]" 3
121 1 57 ILE H 1 117 VAL QG . . 6.860 3.367 3.367 3.367 . 0 0 "[ ]" 3
122 1 57 ILE H 1 118 GLU H . . 3.560 3.028 3.028 3.028 . 0 0 "[ ]" 3
123 1 57 ILE H 1 118 GLU HB3 . . 6.740 3.185 3.185 3.185 . 0 0 "[ ]" 3
124 1 57 ILE H 1 119 VAL HA . . 3.960 3.731 3.731 3.731 . 0 0 "[ ]" 3
125 1 57 ILE HA 1 58 LEU H . . 2.800 2.307 2.307 2.307 . 0 0 "[ ]" 3
126 1 57 ILE HA 1 92 ALA H . . 5.400 4.345 4.345 4.345 . 0 0 "[ ]" 3
127 1 57 ILE HA 1 94 LEU H . . 3.120 2.383 2.383 2.383 . 0 0 "[ ]" 3
128 1 57 ILE HB 1 118 GLU H . . 4.410 3.881 3.881 3.881 . 0 0 "[ ]" 3
129 1 57 ILE MG 1 58 LEU H . . 5.650 2.202 2.202 2.202 . 0 0 "[ ]" 3
130 1 57 ILE MG 1 91 PRO HA . . 6.530 3.466 3.466 3.466 . 0 0 "[ ]" 3
131 1 57 ILE MG 1 92 ALA H . . 4.950 2.388 2.388 2.388 . 0 0 "[ ]" 3
132 1 57 ILE MG 1 93 ALA H . . 8.340 4.028 4.028 4.028 . 0 0 "[ ]" 3
133 1 57 ILE MG 1 94 LEU H . . 8.340 4.315 4.315 4.315 . 0 0 "[ ]" 3
134 1 57 ILE MG 1 118 GLU H . . 8.240 4.109 4.109 4.109 . 0 0 "[ ]" 3
135 1 57 ILE QG 1 93 ALA H . . 8.100 3.773 3.773 3.773 . 0 0 "[ ]" 3
136 1 57 ILE MD 1 118 GLU H . . 8.340 5.353 5.353 5.353 . 0 0 "[ ]" 3
137 1 58 LEU H 1 58 LEU HA . . 2.910 2.933 2.933 2.933 0.023 1 0 "[ ]" 3
138 1 58 LEU H 1 58 LEU HB2 . . 3.400 3.103 3.103 3.103 . 0 0 "[ ]" 3
139 1 58 LEU H 1 58 LEU HB3 . . 3.180 2.329 2.329 2.329 . 0 0 "[ ]" 3
140 1 58 LEU H 1 58 LEU HG . . 5.220 4.500 4.500 4.500 . 0 0 "[ ]" 3
141 1 58 LEU H 1 59 LYS H . . 4.830 4.380 4.380 4.380 . 0 0 "[ ]" 3
142 1 58 LEU H 1 92 ALA H . . 4.000 2.628 2.628 2.628 . 0 0 "[ ]" 3
143 1 58 LEU H 1 92 ALA MB . . 8.340 3.741 3.741 3.741 . 0 0 "[ ]" 3
144 1 58 LEU H 1 94 LEU MD1 . . 5.390 3.799 3.799 3.799 . 0 0 "[ ]" 3
145 1 58 LEU HA 1 59 LYS H . . 2.870 2.178 2.178 2.178 . 0 0 "[ ]" 3
146 1 58 LEU HA 1 60 ALA H . . 4.260 4.235 4.235 4.235 . 0 0 "[ ]" 3
147 1 58 LEU HA 1 117 VAL HA . . 3.450 2.738 2.738 2.738 . 0 0 "[ ]" 3
148 1 58 LEU HA 1 118 GLU H . . 4.320 3.646 3.646 3.646 . 0 0 "[ ]" 3
149 1 58 LEU HB2 1 59 LYS H . . 6.740 4.225 4.225 4.225 . 0 0 "[ ]" 3
150 1 58 LEU HB3 1 92 ALA H . . 5.260 3.438 3.438 3.438 . 0 0 "[ ]" 3
151 1 58 LEU QD 1 59 LYS H . . 7.720 3.413 3.413 3.413 . 0 0 "[ ]" 3
152 1 58 LEU QD 1 60 ALA H . . 7.480 3.602 3.602 3.602 . 0 0 "[ ]" 3
153 1 58 LEU QD 1 61 ALA H . . 10.160 3.378 3.378 3.378 . 0 0 "[ ]" 3
154 1 58 LEU QD 1 90 ALA H . . 10.160 3.961 3.961 3.961 . 0 0 "[ ]" 3
155 1 58 LEU QD 1 92 ALA H . . 10.160 3.152 3.152 3.152 . 0 0 "[ ]" 3
156 1 58 LEU QD 1 116 GLU H . . 8.660 4.913 4.913 4.913 . 0 0 "[ ]" 3
157 1 59 LYS H 1 59 LYS HB2 . . 3.130 2.394 2.394 2.394 . 0 0 "[ ]" 3
158 1 59 LYS H 1 59 LYS HB3 . . 4.000 3.596 3.596 3.596 . 0 0 "[ ]" 3
159 1 59 LYS H 1 59 LYS QG . . 5.080 2.630 2.630 2.630 . 0 0 "[ ]" 3
160 1 59 LYS H 1 60 ALA H . . 2.830 2.408 2.408 2.408 . 0 0 "[ ]" 3
161 1 59 LYS H 1 61 ALA H . . 5.960 5.991 5.991 5.991 0.031 1 0 "[ ]" 3
162 1 59 LYS H 1 117 VAL HA . . 3.330 2.842 2.842 2.842 . 0 0 "[ ]" 3
163 1 59 LYS H 1 118 GLU H . . 4.240 4.234 4.234 4.234 . 0 0 "[ ]" 3
164 1 59 LYS HA 1 91 PRO HA . . 3.550 2.818 2.818 2.818 . 0 0 "[ ]" 3
165 1 59 LYS HA 1 92 ALA H . . 3.960 4.083 4.083 4.083 0.123 1 0 "[ ]" 3
166 1 59 LYS HB2 1 60 ALA H . . 3.510 2.428 2.428 2.428 . 0 0 "[ ]" 3
167 1 59 LYS HB3 1 60 ALA H . . 3.330 3.396 3.396 3.396 0.066 1 0 "[ ]" 3
168 1 59 LYS HB3 1 118 GLU H . . 6.740 6.613 6.613 6.613 . 0 0 "[ ]" 3
169 1 59 LYS HG2 1 118 GLU H . . 5.780 5.339 5.339 5.339 . 0 0 "[ ]" 3
170 1 59 LYS HG3 1 118 GLU H . . 5.780 3.802 3.802 3.802 . 0 0 "[ ]" 3
171 1 59 LYS QG 1 60 ALA H . . 4.960 4.061 4.061 4.061 . 0 0 "[ ]" 3
172 1 59 LYS QG 1 118 GLU H . . 5.440 3.725 3.725 3.725 . 0 0 "[ ]" 3
173 1 60 ALA H 1 61 ALA H . . 4.570 4.272 4.272 4.272 . 0 0 "[ ]" 3
174 1 60 ALA H 1 90 ALA MB . . 6.600 4.510 4.510 4.510 . 0 0 "[ ]" 3
175 1 60 ALA H 1 116 GLU H . . 3.600 3.255 3.255 3.255 . 0 0 "[ ]" 3
176 1 60 ALA H 1 116 GLU HB2 . . 4.750 3.920 3.920 3.920 . 0 0 "[ ]" 3
177 1 60 ALA H 1 116 GLU HB3 . . 4.320 2.280 2.280 2.280 . 0 0 "[ ]" 3
178 1 60 ALA HA 1 61 ALA H . . 2.570 2.204 2.204 2.204 . 0 0 "[ ]" 3
179 1 60 ALA HA 1 62 GLY H . . 4.370 3.614 3.614 3.614 . 0 0 "[ ]" 3
180 1 60 ALA MB 1 116 GLU H . . 5.480 2.911 2.911 2.911 . 0 0 "[ ]" 3
181 1 61 ALA H 1 62 GLY H . . 3.210 2.521 2.521 2.521 . 0 0 "[ ]" 3
182 1 61 ALA H 1 115 ALA MB . . 5.700 4.548 4.548 4.548 . 0 0 "[ ]" 3
183 1 61 ALA HA 1 62 GLY H . . 3.640 3.519 3.519 3.519 . 0 0 "[ ]" 3
184 1 61 ALA HA 1 115 ALA H . . 6.740 6.212 6.212 6.212 . 0 0 "[ ]" 3
185 1 61 ALA HA 1 116 GLU H . . 4.000 4.068 4.068 4.068 0.068 1 0 "[ ]" 3
186 1 61 ALA MB 1 62 GLY H . . 4.080 2.927 2.927 2.927 . 0 0 "[ ]" 3
187 1 62 GLY H 1 62 GLY HA2 . . 2.640 2.271 2.271 2.271 . 0 0 "[ ]" 3
188 1 62 GLY H 1 62 GLY HA3 . . 2.870 2.875 2.875 2.875 0.005 1 0 "[ ]" 3
189 1 62 GLY H 1 63 ALA H . . 5.040 4.640 4.640 4.640 . 0 0 "[ ]" 3
190 1 62 GLY H 1 115 ALA MB . . 7.640 4.201 4.201 4.201 . 0 0 "[ ]" 3
191 1 62 GLY HA2 1 63 ALA H . . 3.130 2.926 2.926 2.926 . 0 0 "[ ]" 3
192 1 62 GLY HA2 1 64 ASN H . . 5.040 4.347 4.347 4.347 . 0 0 "[ ]" 3
193 1 62 GLY HA3 1 63 ALA H . . 3.440 2.358 2.358 2.358 . 0 0 "[ ]" 3
194 1 62 GLY HA3 1 64 ASN H . . 4.370 3.512 3.512 3.512 . 0 0 "[ ]" 3
195 1 63 ALA H 1 64 ASN H . . 3.020 3.094 3.094 3.094 0.074 1 0 "[ ]" 3
196 1 64 ASN H 1 64 ASN HA . . 2.870 2.862 2.862 2.862 . 0 0 "[ ]" 3
197 1 64 ASN H 1 64 ASN HB2 . . 3.290 3.108 3.108 3.108 . 0 0 "[ ]" 3
198 1 64 ASN H 1 64 ASN HB3 . . 3.250 3.110 3.110 3.110 . 0 0 "[ ]" 3
199 1 64 ASN H 1 65 LYS H . . 3.290 2.708 2.708 2.708 . 0 0 "[ ]" 3
200 1 64 ASN H 1 67 ALA MB . . 8.340 5.465 5.465 5.465 . 0 0 "[ ]" 3
201 1 64 ASN H 1 115 ALA MB . . 8.340 4.540 4.540 4.540 . 0 0 "[ ]" 3
202 1 64 ASN HA 1 65 LYS H . . 2.640 2.670 2.670 2.670 0.030 1 0 "[ ]" 3
203 1 64 ASN HA 1 66 VAL H . . 4.570 3.169 3.169 3.169 . 0 0 "[ ]" 3
204 1 64 ASN HA 1 67 ALA H . . 6.650 3.937 3.937 3.937 . 0 0 "[ ]" 3
205 1 64 ASN HB2 1 65 LYS H . . 6.690 4.702 4.702 4.702 . 0 0 "[ ]" 3
206 1 64 ASN HB3 1 67 ALA H . . 5.430 4.052 4.052 4.052 . 0 0 "[ ]" 3
207 1 64 ASN HD21 1 67 ALA MB . . 6.800 3.442 3.442 3.442 . 0 0 "[ ]" 3
208 1 64 ASN HD22 1 67 ALA MB . . 6.230 2.737 2.737 2.737 . 0 0 "[ ]" 3
209 1 64 ASN HD22 1 113 ALA MB . . 8.340 3.009 3.009 3.009 . 0 0 "[ ]" 3
210 1 65 LYS H 1 65 LYS HB2 . . 3.130 2.086 2.086 2.086 . 0 0 "[ ]" 3
211 1 65 LYS H 1 65 LYS HB3 . . 2.870 2.944 2.944 2.944 0.074 1 0 "[ ]" 3
212 1 65 LYS H 1 65 LYS HG2 . . 5.470 4.425 4.425 4.425 . 0 0 "[ ]" 3
213 1 65 LYS H 1 65 LYS HG3 . . 4.320 3.956 3.956 3.956 . 0 0 "[ ]" 3
214 1 65 LYS H 1 66 VAL H . . 3.180 2.604 2.604 2.604 . 0 0 "[ ]" 3
215 1 65 LYS H 1 66 VAL HB . . 6.690 4.678 4.678 4.678 . 0 0 "[ ]" 3
216 1 65 LYS H 1 66 VAL MG2 . . 8.340 3.914 3.914 3.914 . 0 0 "[ ]" 3
217 1 65 LYS HA 1 68 VAL H . . 3.830 3.470 3.470 3.470 . 0 0 "[ ]" 3
218 1 65 LYS HA 1 69 ILE H . . 4.240 3.738 3.738 3.738 . 0 0 "[ ]" 3
219 1 65 LYS HB2 1 66 VAL H . . 3.680 3.786 3.786 3.786 0.106 1 0 "[ ]" 3
220 1 65 LYS HB3 1 66 VAL H . . 3.800 3.247 3.247 3.247 . 0 0 "[ ]" 3
221 1 65 LYS HG2 1 66 VAL H . . 6.740 4.880 4.880 4.880 . 0 0 "[ ]" 3
222 1 65 LYS HG2 1 68 VAL H . . 6.740 5.313 5.313 5.313 . 0 0 "[ ]" 3
223 1 65 LYS HG2 1 69 ILE H . . 6.740 4.052 4.052 4.052 . 0 0 "[ ]" 3
224 1 65 LYS HG3 1 66 VAL H . . 6.740 5.324 5.324 5.324 . 0 0 "[ ]" 3
225 1 66 VAL H 1 66 VAL HB . . 2.640 2.282 2.282 2.282 . 0 0 "[ ]" 3
226 1 66 VAL H 1 66 VAL MG2 . . 3.920 2.210 2.210 2.210 . 0 0 "[ ]" 3
227 1 66 VAL H 1 67 ALA H . . 3.090 2.827 2.827 2.827 . 0 0 "[ ]" 3
228 1 66 VAL H 1 67 ALA MB . . 8.340 4.364 4.364 4.364 . 0 0 "[ ]" 3
229 1 66 VAL H 1 68 VAL H . . 5.220 3.860 3.860 3.860 . 0 0 "[ ]" 3
230 1 66 VAL HA 1 69 ILE H . . 3.830 3.711 3.711 3.711 . 0 0 "[ ]" 3
231 1 66 VAL HA 1 70 LYS H . . 6.740 4.481 4.481 4.481 . 0 0 "[ ]" 3
232 1 66 VAL HB 1 67 ALA H . . 2.830 2.329 2.329 2.329 . 0 0 "[ ]" 3
233 1 66 VAL MG1 1 67 ALA H . . 5.340 2.900 2.900 2.900 . 0 0 "[ ]" 3
234 1 66 VAL MG1 1 70 LYS H . . 6.930 4.437 4.437 4.437 . 0 0 "[ ]" 3
235 1 66 VAL MG2 1 67 ALA H . . 8.340 3.859 3.859 3.859 . 0 0 "[ ]" 3
236 1 67 ALA H 1 68 VAL H . . 2.910 2.728 2.728 2.728 . 0 0 "[ ]" 3
237 1 67 ALA H 1 68 VAL MG2 . . 8.340 4.349 4.349 4.349 . 0 0 "[ ]" 3
238 1 67 ALA H 1 69 ILE H . . 6.740 4.582 4.582 4.582 . 0 0 "[ ]" 3
239 1 67 ALA H 1 113 ALA MB . . 8.290 4.190 4.190 4.190 . 0 0 "[ ]" 3
240 1 67 ALA HA 1 70 LYS H . . 4.040 3.446 3.446 3.446 . 0 0 "[ ]" 3
241 1 67 ALA MB 1 113 ALA H . . 7.800 4.621 4.621 4.621 . 0 0 "[ ]" 3
242 1 68 VAL H 1 68 VAL HB . . 2.870 2.278 2.278 2.278 . 0 0 "[ ]" 3
243 1 68 VAL H 1 68 VAL MG2 . . 4.120 2.353 2.353 2.353 . 0 0 "[ ]" 3
244 1 68 VAL H 1 69 ILE H . . 3.330 2.881 2.881 2.881 . 0 0 "[ ]" 3
245 1 68 VAL H 1 69 ILE HB . . 4.690 4.727 4.727 4.727 0.037 1 0 "[ ]" 3
246 1 68 VAL H 1 71 ALA MB . . 5.780 4.752 4.752 4.752 . 0 0 "[ ]" 3
247 1 68 VAL HA 1 71 ALA H . . 5.260 3.278 3.278 3.278 . 0 0 "[ ]" 3
248 1 68 VAL HB 1 69 ILE H . . 3.400 2.421 2.421 2.421 . 0 0 "[ ]" 3
249 1 68 VAL MG1 1 69 ILE H . . 5.530 2.889 2.889 2.889 . 0 0 "[ ]" 3
250 1 68 VAL MG1 1 71 ALA H . . 8.290 4.561 4.561 4.561 . 0 0 "[ ]" 3
251 1 68 VAL MG2 1 69 ILE H . . 8.340 3.922 3.922 3.922 . 0 0 "[ ]" 3
252 1 69 ILE H 1 69 ILE HB . . 2.570 2.270 2.270 2.270 . 0 0 "[ ]" 3
253 1 69 ILE H 1 69 ILE MD . . 5.740 3.253 3.253 3.253 . 0 0 "[ ]" 3
254 1 69 ILE H 1 70 LYS H . . 3.440 2.823 2.823 2.823 . 0 0 "[ ]" 3
255 1 69 ILE H 1 87 VAL MG1 . . 5.700 4.532 4.532 4.532 . 0 0 "[ ]" 3
256 1 69 ILE H 1 87 VAL MG2 . . 5.700 4.042 4.042 4.042 . 0 0 "[ ]" 3
257 1 69 ILE HA 1 72 VAL H . . 4.120 3.418 3.418 3.418 . 0 0 "[ ]" 3
258 1 69 ILE HA 1 73 ARG H . . 5.560 3.824 3.824 3.824 . 0 0 "[ ]" 3
259 1 69 ILE HB 1 70 LYS H . . 2.910 2.919 2.919 2.919 0.009 1 0 "[ ]" 3
260 1 69 ILE MG 1 70 LYS H . . 5.530 3.260 3.260 3.260 . 0 0 "[ ]" 3
261 1 69 ILE MG 1 73 ARG H . . 8.340 3.680 3.680 3.680 . 0 0 "[ ]" 3
262 1 69 ILE MG 1 83 ALA H . . 6.930 5.144 5.144 5.144 . 0 0 "[ ]" 3
263 1 69 ILE MG 1 84 LYS H . . 5.530 4.341 4.341 4.341 . 0 0 "[ ]" 3
264 1 70 LYS H 1 70 LYS HG2 . . 4.690 3.551 3.551 3.551 . 0 0 "[ ]" 3
265 1 70 LYS H 1 70 LYS HG3 . . 3.870 2.517 2.517 2.517 . 0 0 "[ ]" 3
266 1 70 LYS H 1 71 ALA H . . 3.180 2.706 2.706 2.706 . 0 0 "[ ]" 3
267 1 70 LYS H 1 72 VAL H . . 6.060 3.983 3.983 3.983 . 0 0 "[ ]" 3
268 1 70 LYS HA 1 72 VAL H . . 5.830 4.351 4.351 4.351 . 0 0 "[ ]" 3
269 1 70 LYS HA 1 73 ARG H . . 4.830 4.049 4.049 4.049 . 0 0 "[ ]" 3
270 1 70 LYS QB 1 71 ALA H . . 4.290 2.542 2.542 2.542 . 0 0 "[ ]" 3
271 1 70 LYS QB 1 72 VAL H . . 8.100 4.625 4.625 4.625 . 0 0 "[ ]" 3
272 1 70 LYS HG2 1 74 GLY H . . 6.000 5.924 5.924 5.924 . 0 0 "[ ]" 3
273 1 70 LYS HG3 1 71 ALA H . . 6.740 4.568 4.568 4.568 . 0 0 "[ ]" 3
274 1 71 ALA H 1 72 VAL H . . 3.210 2.749 2.749 2.749 . 0 0 "[ ]" 3
275 1 71 ALA H 1 72 VAL HB . . 6.450 4.836 4.836 4.836 . 0 0 "[ ]" 3
276 1 71 ALA HA 1 74 GLY H . . 4.160 3.705 3.705 3.705 . 0 0 "[ ]" 3
277 1 71 ALA HA 1 75 ALA H . . 5.870 4.118 4.118 4.118 . 0 0 "[ ]" 3
278 1 71 ALA MB 1 74 GLY H . . 5.880 4.631 4.631 4.631 . 0 0 "[ ]" 3
279 1 72 VAL H 1 72 VAL HB . . 2.800 2.376 2.376 2.376 . 0 0 "[ ]" 3
280 1 72 VAL H 1 72 VAL MG2 . . 4.080 2.178 2.178 2.178 . 0 0 "[ ]" 3
281 1 72 VAL H 1 73 ARG H . . 3.250 3.125 3.125 3.125 . 0 0 "[ ]" 3
282 1 72 VAL H 1 106 LEU MD2 . . 6.100 4.902 4.902 4.902 . 0 0 "[ ]" 3
283 1 72 VAL H 1 110 LEU MD2 . . 5.700 4.625 4.625 4.625 . 0 0 "[ ]" 3
284 1 72 VAL HA 1 75 ALA H . . 4.120 3.432 3.432 3.432 . 0 0 "[ ]" 3
285 1 72 VAL HA 1 76 THR H . . 6.740 4.359 4.359 4.359 . 0 0 "[ ]" 3
286 1 72 VAL HB 1 73 ARG H . . 3.330 2.041 2.041 2.041 . 0 0 "[ ]" 3
287 1 72 VAL MG1 1 73 ARG H . . 5.700 2.587 2.587 2.587 . 0 0 "[ ]" 3
288 1 72 VAL MG1 1 76 THR H . . 7.550 4.293 4.293 4.293 . 0 0 "[ ]" 3
289 1 72 VAL MG2 1 73 ARG H . . 6.230 3.705 3.705 3.705 . 0 0 "[ ]" 3
290 1 73 ARG H 1 73 ARG QG . . 5.130 2.216 2.216 2.216 . 0 0 "[ ]" 3
291 1 73 ARG H 1 73 ARG HD2 . . 6.740 4.351 4.351 4.351 . 0 0 "[ ]" 3
292 1 73 ARG H 1 73 ARG HD3 . . 6.740 4.736 4.736 4.736 . 0 0 "[ ]" 3
293 1 73 ARG H 1 74 GLY H . . 3.330 2.802 2.802 2.802 . 0 0 "[ ]" 3
294 1 73 ARG H 1 75 ALA H . . 4.870 4.315 4.315 4.315 . 0 0 "[ ]" 3
295 1 73 ARG H 1 83 ALA MB . . 5.390 3.088 3.088 3.088 . 0 0 "[ ]" 3
296 1 73 ARG HA 1 75 ALA H . . 4.830 4.192 4.192 4.192 . 0 0 "[ ]" 3
297 1 73 ARG HA 1 76 THR H . . 3.640 3.238 3.238 3.238 . 0 0 "[ ]" 3
298 1 73 ARG HA 1 77 GLY H . . 3.050 2.148 2.148 2.148 . 0 0 "[ ]" 3
299 1 73 ARG HA 1 78 LEU H . . 3.680 2.687 2.687 2.687 . 0 0 "[ ]" 3
300 1 73 ARG QG 1 74 GLY H . . 5.880 2.096 2.096 2.096 . 0 0 "[ ]" 3
301 1 74 GLY H 1 74 GLY HA3 . . 2.710 2.257 2.257 2.257 . 0 0 "[ ]" 3
302 1 74 GLY H 1 75 ALA H . . 2.980 2.525 2.525 2.525 . 0 0 "[ ]" 3
303 1 74 GLY H 1 76 THR H . . 5.780 3.750 3.750 3.750 . 0 0 "[ ]" 3
304 1 74 GLY H 1 77 GLY H . . 6.230 4.769 4.769 4.769 . 0 0 "[ ]" 3
305 1 74 GLY HA3 1 75 ALA H . . 3.400 2.986 2.986 2.986 . 0 0 "[ ]" 3
306 1 74 GLY HA3 1 77 GLY H . . 6.230 5.934 5.934 5.934 . 0 0 "[ ]" 3
307 1 75 ALA H 1 76 THR H . . 2.980 2.267 2.267 2.267 . 0 0 "[ ]" 3
308 1 75 ALA H 1 76 THR MG . . 8.340 3.568 3.568 3.568 . 0 0 "[ ]" 3
309 1 75 ALA H 1 77 GLY H . . 5.180 4.509 4.509 4.509 . 0 0 "[ ]" 3
310 1 76 THR H 1 76 THR HG1 . . 3.150 2.071 2.071 2.071 . 0 0 "[ ]" 3
311 1 76 THR H 1 77 GLY H . . 2.570 2.583 2.583 2.583 0.013 1 0 "[ ]" 3
312 1 76 THR H 1 94 LEU MD2 . . 8.340 4.717 4.717 4.717 . 0 0 "[ ]" 3
313 1 76 THR HA 1 78 LEU H . . 5.390 4.758 4.758 4.758 . 0 0 "[ ]" 3
314 1 76 THR HB 1 77 GLY H . . 4.570 3.076 3.076 3.076 . 0 0 "[ ]" 3
315 1 76 THR HB 1 78 LEU H . . 3.440 3.262 3.262 3.262 . 0 0 "[ ]" 3
316 1 76 THR MG 1 77 GLY H . . 7.550 3.609 3.609 3.609 . 0 0 "[ ]" 3
317 1 76 THR MG 1 78 LEU H . . 7.070 4.158 4.158 4.158 . 0 0 "[ ]" 3
318 1 76 THR MG 1 96 GLU H . . 8.340 6.142 6.142 6.142 . 0 0 "[ ]" 3
319 1 76 THR HG1 1 77 GLY H . . 4.870 2.419 2.419 2.419 . 0 0 "[ ]" 3
320 1 76 THR HG1 1 78 LEU H . . 4.160 3.299 3.299 3.299 . 0 0 "[ ]" 3
321 1 77 GLY H 1 78 LEU H . . 3.130 1.804 1.804 1.804 . 0 0 "[ ]" 3
322 1 77 GLY H 1 78 LEU HB2 . . 4.240 3.903 3.903 3.903 . 0 0 "[ ]" 3
323 1 77 GLY H 1 94 LEU MD2 . . 8.340 5.923 5.923 5.923 . 0 0 "[ ]" 3
324 1 78 LEU H 1 78 LEU HB2 . . 2.800 2.338 2.338 2.338 . 0 0 "[ ]" 3
325 1 78 LEU H 1 78 LEU HB3 . . 3.800 3.530 3.530 3.530 . 0 0 "[ ]" 3
326 1 78 LEU H 1 78 LEU HG . . 2.940 2.462 2.462 2.462 . 0 0 "[ ]" 3
327 1 78 LEU H 1 78 LEU MD1 . . 5.780 3.313 3.313 3.313 . 0 0 "[ ]" 3
328 1 78 LEU H 1 78 LEU MD2 . . 5.530 3.743 3.743 3.743 . 0 0 "[ ]" 3
329 1 78 LEU H 1 79 GLY H . . 6.740 4.649 4.649 4.649 . 0 0 "[ ]" 3
330 1 78 LEU HA 1 79 GLY H . . 2.600 2.366 2.366 2.366 . 0 0 "[ ]" 3
331 1 78 LEU HB2 1 79 GLY H . . 4.280 3.923 3.923 3.923 . 0 0 "[ ]" 3
332 1 78 LEU HB3 1 79 GLY H . . 3.480 2.719 2.719 2.719 . 0 0 "[ ]" 3
333 1 78 LEU HB3 1 82 GLU H . . 4.570 4.655 4.655 4.655 0.085 1 0 "[ ]" 3
334 1 78 LEU HB3 1 83 ALA H . . 4.830 3.727 3.727 3.727 . 0 0 "[ ]" 3
335 1 78 LEU MD1 1 79 GLY H . . 8.340 4.810 4.810 4.810 . 0 0 "[ ]" 3
336 1 78 LEU MD1 1 82 GLU H . . 8.340 5.936 5.936 5.936 . 0 0 "[ ]" 3
337 1 78 LEU MD1 1 83 ALA H . . 8.340 4.675 4.675 4.675 . 0 0 "[ ]" 3
338 1 78 LEU MD2 1 79 GLY H . . 5.700 3.349 3.349 3.349 . 0 0 "[ ]" 3
339 1 78 LEU MD2 1 82 GLU H . . 8.340 5.574 5.574 5.574 . 0 0 "[ ]" 3
340 1 78 LEU MD2 1 83 ALA H . . 7.120 5.336 5.336 5.336 . 0 0 "[ ]" 3
341 1 79 GLY H 1 79 GLY HA3 . . 2.750 2.248 2.248 2.248 . 0 0 "[ ]" 3
342 1 79 GLY H 1 82 GLU HB2 . . 4.830 2.705 2.705 2.705 . 0 0 "[ ]" 3
343 1 79 GLY H 1 82 GLU HB3 . . 5.870 4.023 4.023 4.023 . 0 0 "[ ]" 3
344 1 79 GLY HA2 1 80 LEU H . . 2.830 2.283 2.283 2.283 . 0 0 "[ ]" 3
345 1 79 GLY HA3 1 80 LEU H . . 2.980 3.046 3.046 3.046 0.066 1 0 "[ ]" 3
346 1 80 LEU H 1 80 LEU HB2 . . 2.830 2.109 2.109 2.109 . 0 0 "[ ]" 3
347 1 80 LEU H 1 80 LEU HB3 . . 2.940 2.861 2.861 2.861 . 0 0 "[ ]" 3
348 1 80 LEU H 1 80 LEU HG . . 5.180 4.483 4.483 4.483 . 0 0 "[ ]" 3
349 1 80 LEU H 1 81 LYS H . . 3.400 2.987 2.987 2.987 . 0 0 "[ ]" 3
350 1 80 LEU HA 1 83 ALA H . . 4.240 3.726 3.726 3.726 . 0 0 "[ ]" 3
351 1 80 LEU HB2 1 81 LYS H . . 3.560 3.654 3.654 3.654 0.094 1 0 "[ ]" 3
352 1 80 LEU HB3 1 81 LYS H . . 2.910 2.587 2.587 2.587 . 0 0 "[ ]" 3
353 1 80 LEU HG 1 81 LYS H . . 5.220 4.337 4.337 4.337 . 0 0 "[ ]" 3
354 1 80 LEU QD 1 81 LYS H . . 10.160 4.061 4.061 4.061 . 0 0 "[ ]" 3
355 1 80 LEU QD 1 83 ALA H . . 9.070 4.996 4.996 4.996 . 0 0 "[ ]" 3
356 1 80 LEU QD 1 84 LYS H . . 8.370 4.681 4.681 4.681 . 0 0 "[ ]" 3
357 1 81 LYS H 1 81 LYS HB2 . . 2.870 2.413 2.413 2.413 . 0 0 "[ ]" 3
358 1 81 LYS H 1 81 LYS HB3 . . 2.870 2.509 2.509 2.509 . 0 0 "[ ]" 3
359 1 81 LYS H 1 82 GLU H . . 2.940 2.934 2.934 2.934 . 0 0 "[ ]" 3
360 1 81 LYS HA 1 84 LYS H . . 3.760 3.293 3.293 3.293 . 0 0 "[ ]" 3
361 1 81 LYS HA 1 85 ASP H . . 4.160 3.961 3.961 3.961 . 0 0 "[ ]" 3
362 1 81 LYS HB2 1 82 GLU H . . 5.220 3.709 3.709 3.709 . 0 0 "[ ]" 3
363 1 81 LYS HB3 1 82 GLU H . . 2.940 2.259 2.259 2.259 . 0 0 "[ ]" 3
364 1 81 LYS HG2 1 82 GLU H . . 5.390 3.441 3.441 3.441 . 0 0 "[ ]" 3
365 1 81 LYS HG3 1 82 GLU H . . 5.390 4.555 4.555 4.555 . 0 0 "[ ]" 3
366 1 82 GLU H 1 82 GLU HB2 . . 2.830 2.397 2.397 2.397 . 0 0 "[ ]" 3
367 1 82 GLU H 1 82 GLU HG2 . . 3.760 2.350 2.350 2.350 . 0 0 "[ ]" 3
368 1 82 GLU H 1 82 GLU HG3 . . 3.760 3.314 3.314 3.314 . 0 0 "[ ]" 3
369 1 82 GLU H 1 82 GLU QG . . 3.440 2.304 2.304 2.304 . 0 0 "[ ]" 3
370 1 82 GLU H 1 83 ALA H . . 3.210 3.003 3.003 3.003 . 0 0 "[ ]" 3
371 1 82 GLU HA 1 85 ASP H . . 3.560 3.644 3.644 3.644 0.084 1 0 "[ ]" 3
372 1 82 GLU HB2 1 83 ALA H . . 3.400 2.670 2.670 2.670 . 0 0 "[ ]" 3
373 1 82 GLU HB3 1 83 ALA H . . 3.960 3.424 3.424 3.424 . 0 0 "[ ]" 3
374 1 83 ALA H 1 84 LYS H . . 3.050 2.698 2.698 2.698 . 0 0 "[ ]" 3
375 1 83 ALA H 1 84 LYS HB3 . . 6.320 4.780 4.780 4.780 . 0 0 "[ ]" 3
376 1 83 ALA H 1 85 ASP H . . 4.530 4.405 4.405 4.405 . 0 0 "[ ]" 3
377 1 83 ALA H 1 86 LEU QB . . 6.620 4.533 4.533 4.533 . 0 0 "[ ]" 3
378 1 83 ALA HA 1 86 LEU H . . 3.680 3.481 3.481 3.481 . 0 0 "[ ]" 3
379 1 83 ALA HA 1 87 VAL H . . 4.690 3.975 3.975 3.975 . 0 0 "[ ]" 3
380 1 83 ALA MB 1 87 VAL H . . 7.550 4.473 4.473 4.473 . 0 0 "[ ]" 3
381 1 84 LYS H 1 84 LYS HB2 . . 2.870 2.516 2.516 2.516 . 0 0 "[ ]" 3
382 1 84 LYS H 1 84 LYS HB3 . . 2.910 2.403 2.403 2.403 . 0 0 "[ ]" 3
383 1 84 LYS H 1 84 LYS QG . . 5.050 3.916 3.916 3.916 . 0 0 "[ ]" 3
384 1 84 LYS H 1 84 LYS HD3 . . 4.830 4.742 4.742 4.742 . 0 0 "[ ]" 3
385 1 84 LYS H 1 85 ASP H . . 3.090 2.866 2.866 2.866 . 0 0 "[ ]" 3
386 1 84 LYS H 1 86 LEU H . . 4.950 4.176 4.176 4.176 . 0 0 "[ ]" 3
387 1 84 LYS HA 1 87 VAL H . . 3.680 3.672 3.672 3.672 . 0 0 "[ ]" 3
388 1 84 LYS HB2 1 85 ASP H . . 3.960 3.888 3.888 3.888 . 0 0 "[ ]" 3
389 1 84 LYS HB3 1 85 ASP H . . 2.980 2.489 2.489 2.489 . 0 0 "[ ]" 3
390 1 84 LYS QG 1 85 ASP H . . 6.340 3.292 3.292 3.292 . 0 0 "[ ]" 3
391 1 84 LYS QG 1 88 GLU H . . 8.100 4.170 4.170 4.170 . 0 0 "[ ]" 3
392 1 84 LYS HD3 1 85 ASP H . . 5.600 4.752 4.752 4.752 . 0 0 "[ ]" 3
393 1 85 ASP H 1 85 ASP HB2 . . 2.910 2.536 2.536 2.536 . 0 0 "[ ]" 3
394 1 85 ASP H 1 85 ASP HB3 . . 3.680 3.549 3.549 3.549 . 0 0 "[ ]" 3
395 1 85 ASP H 1 86 LEU H . . 2.940 2.799 2.799 2.799 . 0 0 "[ ]" 3
396 1 85 ASP H 1 86 LEU QB . . 5.480 4.431 4.431 4.431 . 0 0 "[ ]" 3
397 1 85 ASP H 1 86 LEU QD . . 9.910 5.569 5.569 5.569 . 0 0 "[ ]" 3
398 1 85 ASP HA 1 88 GLU H . . 4.280 3.367 3.367 3.367 . 0 0 "[ ]" 3
399 1 85 ASP HA 1 89 SER H . . 6.000 4.439 4.439 4.439 . 0 0 "[ ]" 3
400 1 85 ASP HB2 1 86 LEU H . . 3.480 2.387 2.387 2.387 . 0 0 "[ ]" 3
401 1 85 ASP HB3 1 86 LEU H . . 3.800 3.548 3.548 3.548 . 0 0 "[ ]" 3
402 1 86 LEU H 1 86 LEU QB . . 3.920 2.165 2.165 2.165 . 0 0 "[ ]" 3
403 1 86 LEU H 1 86 LEU HG . . 4.610 4.370 4.370 4.370 . 0 0 "[ ]" 3
404 1 86 LEU H 1 87 VAL H . . 3.210 2.981 2.981 2.981 . 0 0 "[ ]" 3
405 1 86 LEU H 1 87 VAL HB . . 5.700 4.955 4.955 4.955 . 0 0 "[ ]" 3
406 1 86 LEU H 1 87 VAL MG2 . . 8.290 4.518 4.518 4.518 . 0 0 "[ ]" 3
407 1 86 LEU HA 1 88 GLU H . . 6.060 4.412 4.412 4.412 . 0 0 "[ ]" 3
408 1 86 LEU QB 1 87 VAL H . . 4.470 2.373 2.373 2.373 . 0 0 "[ ]" 3
409 1 86 LEU QB 1 89 SER H . . 8.100 4.804 4.804 4.804 . 0 0 "[ ]" 3
410 1 86 LEU HG 1 87 VAL H . . 5.780 4.335 4.335 4.335 . 0 0 "[ ]" 3
411 1 86 LEU MD1 1 93 ALA H . . 8.340 4.519 4.519 4.519 . 0 0 "[ ]" 3
412 1 86 LEU MD1 1 94 LEU H . . 6.800 5.481 5.481 5.481 . 0 0 "[ ]" 3
413 1 86 LEU MD2 1 93 ALA H . . 8.340 4.613 4.613 4.613 . 0 0 "[ ]" 3
414 1 86 LEU MD2 1 94 LEU H . . 6.800 4.964 4.964 4.964 . 0 0 "[ ]" 3
415 1 86 LEU QD 1 87 VAL H . . 7.760 2.876 2.876 2.876 . 0 0 "[ ]" 3
416 1 86 LEU QD 1 93 ALA H . . 7.870 4.066 4.066 4.066 . 0 0 "[ ]" 3
417 1 86 LEU QD 1 94 LEU H . . 6.510 4.614 4.614 4.614 . 0 0 "[ ]" 3
418 1 87 VAL H 1 87 VAL HB . . 2.750 2.304 2.304 2.304 . 0 0 "[ ]" 3
419 1 87 VAL H 1 87 VAL MG2 . . 4.250 2.157 2.157 2.157 . 0 0 "[ ]" 3
420 1 87 VAL H 1 88 GLU H . . 3.290 2.695 2.695 2.695 . 0 0 "[ ]" 3
421 1 87 VAL H 1 88 GLU HB2 . . 5.220 4.757 4.757 4.757 . 0 0 "[ ]" 3
422 1 87 VAL H 1 89 SER H . . 5.910 3.912 3.912 3.912 . 0 0 "[ ]" 3
423 1 87 VAL H 1 92 ALA MB . . 7.020 4.470 4.470 4.470 . 0 0 "[ ]" 3
424 1 87 VAL HA 1 89 SER H . . 5.180 3.759 3.759 3.759 . 0 0 "[ ]" 3
425 1 87 VAL HA 1 90 ALA H . . 4.650 4.203 4.203 4.203 . 0 0 "[ ]" 3
426 1 87 VAL HB 1 88 GLU H . . 3.020 2.783 2.783 2.783 . 0 0 "[ ]" 3
427 1 87 VAL MG1 1 88 GLU H . . 8.340 3.407 3.407 3.407 . 0 0 "[ ]" 3
428 1 87 VAL MG1 1 89 SER H . . 8.340 4.586 4.586 4.586 . 0 0 "[ ]" 3
429 1 87 VAL MG2 1 88 GLU H . . 8.340 4.018 4.018 4.018 . 0 0 "[ ]" 3
430 1 88 GLU H 1 88 GLU HB2 . . 3.230 2.276 2.276 2.276 . 0 0 "[ ]" 3
431 1 88 GLU H 1 88 GLU HB3 . . 3.870 3.519 3.519 3.519 . 0 0 "[ ]" 3
432 1 88 GLU H 1 88 GLU HG2 . . 4.240 3.675 3.675 3.675 . 0 0 "[ ]" 3
433 1 88 GLU H 1 88 GLU HG3 . . 4.240 2.578 2.578 2.578 . 0 0 "[ ]" 3
434 1 88 GLU H 1 88 GLU QG . . 3.820 2.530 2.530 2.530 . 0 0 "[ ]" 3
435 1 88 GLU H 1 89 SER H . . 2.940 2.540 2.540 2.540 . 0 0 "[ ]" 3
436 1 88 GLU H 1 90 ALA H . . 5.040 4.421 4.421 4.421 . 0 0 "[ ]" 3
437 1 88 GLU HA 1 90 ALA H . . 4.450 3.521 3.521 3.521 . 0 0 "[ ]" 3
438 1 88 GLU HB2 1 89 SER H . . 3.540 3.421 3.421 3.421 . 0 0 "[ ]" 3
439 1 88 GLU HB3 1 89 SER H . . 4.060 4.102 4.102 4.102 0.042 1 0 "[ ]" 3
440 1 88 GLU QG 1 89 SER H . . 7.620 4.441 4.441 4.441 . 0 0 "[ ]" 3
441 1 89 SER H 1 89 SER HG . . 5.510 3.619 3.619 3.619 . 0 0 "[ ]" 3
442 1 89 SER H 1 90 ALA H . . 2.940 2.657 2.657 2.657 . 0 0 "[ ]" 3
443 1 89 SER H 1 90 ALA MB . . 6.800 4.137 4.137 4.137 . 0 0 "[ ]" 3
444 1 89 SER H 1 92 ALA MB . . 6.740 3.902 3.902 3.902 . 0 0 "[ ]" 3
445 1 90 ALA H 1 90 ALA HA . . 2.750 2.751 2.751 2.751 0.001 1 0 "[ ]" 3
446 1 90 ALA H 1 91 PRO HA . . 6.650 4.478 4.478 4.478 . 0 0 "[ ]" 3
447 1 90 ALA HA 1 91 PRO HA . . 3.140 2.025 2.025 2.025 . 0 0 "[ ]" 3
448 1 90 ALA HA 1 92 ALA H . . 3.050 2.907 2.907 2.907 . 0 0 "[ ]" 3
449 1 91 PRO HA 1 92 ALA H . . 2.680 2.312 2.312 2.312 . 0 0 "[ ]" 3
450 1 91 PRO HB2 1 92 ALA H . . 3.870 3.040 3.040 3.040 . 0 0 "[ ]" 3
451 1 91 PRO HB3 1 92 ALA H . . 4.040 3.574 3.574 3.574 . 0 0 "[ ]" 3
452 1 92 ALA H 1 93 ALA H . . 5.910 4.264 4.264 4.264 . 0 0 "[ ]" 3
453 1 92 ALA HA 1 93 ALA H . . 2.570 2.222 2.222 2.222 . 0 0 "[ ]" 3
454 1 93 ALA H 1 94 LEU MD2 . . 8.340 6.265 6.265 6.265 . 0 0 "[ ]" 3
455 1 93 ALA HA 1 94 LEU H . . 2.910 2.191 2.191 2.191 . 0 0 "[ ]" 3
456 1 93 ALA HA 1 95 LYS H . . 4.080 3.985 3.985 3.985 . 0 0 "[ ]" 3
457 1 93 ALA MB 1 95 LYS H . . 6.600 3.725 3.725 3.725 . 0 0 "[ ]" 3
458 1 94 LEU H 1 94 LEU HB2 . . 3.210 2.122 2.122 2.122 . 0 0 "[ ]" 3
459 1 94 LEU H 1 94 LEU HB3 . . 3.960 3.386 3.386 3.386 . 0 0 "[ ]" 3
460 1 94 LEU H 1 94 LEU HG . . 4.690 3.325 3.325 3.325 . 0 0 "[ ]" 3
461 1 94 LEU H 1 95 LYS H . . 2.830 2.383 2.383 2.383 . 0 0 "[ ]" 3
462 1 94 LEU HB2 1 95 LYS H . . 3.800 2.844 2.844 2.844 . 0 0 "[ ]" 3
463 1 94 LEU HB3 1 95 LYS H . . 3.700 3.171 3.171 3.171 . 0 0 "[ ]" 3
464 1 94 LEU HG 1 95 LYS H . . 6.740 4.891 4.891 4.891 . 0 0 "[ ]" 3
465 1 94 LEU MD1 1 95 LYS H . . 5.830 4.626 4.626 4.626 . 0 0 "[ ]" 3
466 1 94 LEU MD2 1 95 LYS H . . 6.510 4.663 4.663 4.663 . 0 0 "[ ]" 3
467 1 95 LYS H 1 95 LYS HB2 . . 3.610 3.019 3.019 3.019 . 0 0 "[ ]" 3
468 1 95 LYS H 1 95 LYS HB3 . . 4.000 3.922 3.922 3.922 . 0 0 "[ ]" 3
469 1 95 LYS H 1 96 GLU H . . 6.230 4.405 4.405 4.405 . 0 0 "[ ]" 3
470 1 95 LYS HA 1 96 GLU H . . 2.570 2.386 2.386 2.386 . 0 0 "[ ]" 3
471 1 95 LYS HB2 1 96 GLU H . . 3.440 3.550 3.550 3.550 0.110 1 0 "[ ]" 3
472 1 95 LYS HB3 1 96 GLU H . . 3.800 2.794 2.794 2.794 . 0 0 "[ ]" 3
473 1 96 GLU H 1 96 GLU HB2 . . 2.980 2.767 2.767 2.767 . 0 0 "[ ]" 3
474 1 96 GLU H 1 96 GLU HB3 . . 4.040 3.833 3.833 3.833 . 0 0 "[ ]" 3
475 1 96 GLU H 1 96 GLU HG2 . . 3.960 4.020 4.020 4.020 0.060 1 0 "[ ]" 3
476 1 96 GLU H 1 96 GLU HG3 . . 3.330 3.158 3.158 3.158 . 0 0 "[ ]" 3
477 1 96 GLU H 1 98 VAL MG1 . . 6.980 2.628 2.628 2.628 . 0 0 "[ ]" 3
478 1 96 GLU HA 1 97 GLY H . . 2.570 2.211 2.211 2.211 . 0 0 "[ ]" 3
479 1 96 GLU HA 1 98 VAL H . . 5.120 4.081 4.081 4.081 . 0 0 "[ ]" 3
480 1 96 GLU HB2 1 97 GLY H . . 4.610 4.319 4.319 4.319 . 0 0 "[ ]" 3
481 1 96 GLU HB3 1 97 GLY H . . 3.400 3.433 3.433 3.433 0.033 1 0 "[ ]" 3
482 1 96 GLU HG2 1 97 GLY H . . 6.740 4.399 4.399 4.399 . 0 0 "[ ]" 3
483 1 97 GLY H 1 97 GLY HA2 . . 2.910 2.249 2.249 2.249 . 0 0 "[ ]" 3
484 1 97 GLY H 1 98 VAL H . . 3.400 2.744 2.744 2.744 . 0 0 "[ ]" 3
485 1 97 GLY H 1 98 VAL MG2 . . 8.340 3.633 3.633 3.633 . 0 0 "[ ]" 3
486 1 97 GLY HA2 1 98 VAL H . . 3.440 2.754 2.754 2.754 . 0 0 "[ ]" 3
487 1 98 VAL H 1 98 VAL MG1 . . 4.330 2.889 2.889 2.889 . 0 0 "[ ]" 3
488 1 98 VAL H 1 98 VAL MG2 . . 3.960 2.066 2.066 2.066 . 0 0 "[ ]" 3
489 1 98 VAL H 1 99 SER H . . 5.300 4.516 4.516 4.516 . 0 0 "[ ]" 3
490 1 98 VAL HA 1 99 SER H . . 2.880 2.418 2.418 2.418 . 0 0 "[ ]" 3
491 1 98 VAL HB 1 99 SER H . . 2.600 2.599 2.599 2.599 . 0 0 "[ ]" 3
492 1 98 VAL MG1 1 99 SER H . . 5.610 3.687 3.687 3.687 . 0 0 "[ ]" 3
493 1 98 VAL MG2 1 99 SER H . . 5.930 3.682 3.682 3.682 . 0 0 "[ ]" 3
494 1 98 VAL MG2 1 102 ASP H . . 8.340 4.783 4.783 4.783 . 0 0 "[ ]" 3
495 1 99 SER H 1 99 SER HB2 . . 3.560 3.549 3.549 3.549 . 0 0 "[ ]" 3
496 1 99 SER H 1 99 SER HB3 . . 3.050 2.510 2.510 2.510 . 0 0 "[ ]" 3
497 1 99 SER H 1 99 SER HG . . 3.290 2.197 2.197 2.197 . 0 0 "[ ]" 3
498 1 99 SER H 1 100 LYS H . . 5.390 4.658 4.658 4.658 . 0 0 "[ ]" 3
499 1 99 SER H 1 102 ASP HB2 . . 3.680 3.215 3.215 3.215 . 0 0 "[ ]" 3
500 1 99 SER H 1 102 ASP HB3 . . 4.530 4.572 4.572 4.572 0.042 1 0 "[ ]" 3
501 1 99 SER H 1 103 ALA H . . 5.830 4.887 4.887 4.887 . 0 0 "[ ]" 3
502 1 99 SER HA 1 100 LYS H . . 2.870 2.334 2.334 2.334 . 0 0 "[ ]" 3
503 1 99 SER HA 1 101 ASP H . . 4.570 4.291 4.291 4.291 . 0 0 "[ ]" 3
504 1 99 SER HB2 1 100 LYS H . . 3.330 2.914 2.914 2.914 . 0 0 "[ ]" 3
505 1 99 SER HB2 1 101 ASP H . . 3.680 2.973 2.973 2.973 . 0 0 "[ ]" 3
506 1 99 SER HB3 1 100 LYS H . . 4.080 4.049 4.049 4.049 . 0 0 "[ ]" 3
507 1 99 SER HB3 1 101 ASP H . . 5.700 4.649 4.649 4.649 . 0 0 "[ ]" 3
508 1 99 SER HG 1 102 ASP H . . 5.220 3.185 3.185 3.185 . 0 0 "[ ]" 3
509 1 100 LYS H 1 100 LYS HD2 . . 6.740 4.814 4.814 4.814 . 0 0 "[ ]" 3
510 1 100 LYS H 1 101 ASP H . . 3.330 2.780 2.780 2.780 . 0 0 "[ ]" 3
511 1 100 LYS HA 1 103 ALA H . . 4.320 3.224 3.224 3.224 . 0 0 "[ ]" 3
512 1 100 LYS HA 1 104 GLU H . . 5.700 3.940 3.940 3.940 . 0 0 "[ ]" 3
513 1 100 LYS QB 1 101 ASP H . . 4.250 2.633 2.633 2.633 . 0 0 "[ ]" 3
514 1 100 LYS QB 1 102 ASP H . . 7.500 4.824 4.824 4.824 . 0 0 "[ ]" 3
515 1 100 LYS HG2 1 101 ASP H . . 6.740 4.464 4.464 4.464 . 0 0 "[ ]" 3
516 1 100 LYS HG3 1 101 ASP H . . 6.740 5.096 5.096 5.096 . 0 0 "[ ]" 3
517 1 100 LYS HD2 1 101 ASP H . . 6.740 4.139 4.139 4.139 . 0 0 "[ ]" 3
518 1 101 ASP H 1 101 ASP HB2 . . 2.870 2.489 2.489 2.489 . 0 0 "[ ]" 3
519 1 101 ASP H 1 101 ASP HB3 . . 3.510 3.550 3.550 3.550 0.040 1 0 "[ ]" 3
520 1 101 ASP H 1 102 ASP H . . 2.870 2.805 2.805 2.805 . 0 0 "[ ]" 3
521 1 101 ASP H 1 102 ASP HB2 . . 6.740 4.806 4.806 4.806 . 0 0 "[ ]" 3
522 1 101 ASP H 1 103 ALA H . . 5.910 4.189 4.189 4.189 . 0 0 "[ ]" 3
523 1 101 ASP H 1 103 ALA MB . . 8.340 4.738 4.738 4.738 . 0 0 "[ ]" 3
524 1 101 ASP H 1 104 GLU QB . . 8.100 4.981 4.981 4.981 . 0 0 "[ ]" 3
525 1 101 ASP HA 1 104 GLU H . . 3.960 3.664 3.664 3.664 . 0 0 "[ ]" 3
526 1 101 ASP HB2 1 102 ASP H . . 3.180 2.498 2.498 2.498 . 0 0 "[ ]" 3
527 1 101 ASP HB3 1 102 ASP H . . 4.000 3.568 3.568 3.568 . 0 0 "[ ]" 3
528 1 102 ASP H 1 102 ASP HA . . 2.910 2.778 2.778 2.778 . 0 0 "[ ]" 3
529 1 102 ASP H 1 102 ASP HB2 . . 3.050 2.269 2.269 2.269 . 0 0 "[ ]" 3
530 1 102 ASP H 1 102 ASP HB3 . . 3.910 3.507 3.507 3.507 . 0 0 "[ ]" 3
531 1 102 ASP H 1 103 ALA H . . 3.050 2.602 2.602 2.602 . 0 0 "[ ]" 3
532 1 102 ASP H 1 103 ALA MB . . 8.130 4.197 4.197 4.197 . 0 0 "[ ]" 3
533 1 102 ASP HA 1 105 ALA H . . 3.360 3.325 3.325 3.325 . 0 0 "[ ]" 3
534 1 102 ASP HB2 1 103 ALA H . . 3.720 2.585 2.585 2.585 . 0 0 "[ ]" 3
535 1 102 ASP HB3 1 103 ALA H . . 3.800 3.432 3.432 3.432 . 0 0 "[ ]" 3
536 1 103 ALA H 1 104 GLU H . . 3.290 2.765 2.765 2.765 . 0 0 "[ ]" 3
537 1 103 ALA H 1 104 GLU QB . . 8.100 4.504 4.504 4.504 . 0 0 "[ ]" 3
538 1 103 ALA H 1 105 ALA MB . . 8.340 4.545 4.545 4.545 . 0 0 "[ ]" 3
539 1 103 ALA H 1 119 VAL QG . . 7.610 5.693 5.693 5.693 . 0 0 "[ ]" 3
540 1 103 ALA HA 1 106 LEU H . . 4.650 3.875 3.875 3.875 . 0 0 "[ ]" 3
541 1 103 ALA HA 1 107 LYS H . . 6.000 4.271 4.271 4.271 . 0 0 "[ ]" 3
542 1 103 ALA MB 1 105 ALA H . . 8.340 4.263 4.263 4.263 . 0 0 "[ ]" 3
543 1 103 ALA MB 1 107 LYS H . . 8.290 4.721 4.721 4.721 . 0 0 "[ ]" 3
544 1 103 ALA MB 1 120 LYS H . . 8.340 5.490 5.490 5.490 . 0 0 "[ ]" 3
545 1 104 GLU H 1 104 GLU HG2 . . 4.490 4.456 4.456 4.456 . 0 0 "[ ]" 3
546 1 104 GLU H 1 104 GLU HG3 . . 4.490 4.288 4.288 4.288 . 0 0 "[ ]" 3
547 1 104 GLU H 1 104 GLU QG . . 4.280 3.890 3.890 3.890 . 0 0 "[ ]" 3
548 1 104 GLU H 1 105 ALA H . . 2.910 2.524 2.524 2.524 . 0 0 "[ ]" 3
549 1 104 GLU H 1 105 ALA MB . . 6.600 4.128 4.128 4.128 . 0 0 "[ ]" 3
550 1 104 GLU H 1 106 LEU H . . 5.260 4.566 4.566 4.566 . 0 0 "[ ]" 3
551 1 104 GLU H 1 119 VAL QG . . 9.720 4.936 4.936 4.936 . 0 0 "[ ]" 3
552 1 104 GLU HA 1 107 LYS H . . 3.600 3.244 3.244 3.244 . 0 0 "[ ]" 3
553 1 104 GLU HA 1 108 LYS H . . 6.000 3.732 3.732 3.732 . 0 0 "[ ]" 3
554 1 104 GLU QB 1 105 ALA H . . 4.430 3.039 3.039 3.039 . 0 0 "[ ]" 3
555 1 104 GLU QG 1 105 ALA H . . 7.620 4.320 4.320 4.320 . 0 0 "[ ]" 3
556 1 105 ALA H 1 108 LYS QB . . 6.980 5.584 5.584 5.584 . 0 0 "[ ]" 3
557 1 105 ALA HA 1 108 LYS H . . 3.680 3.798 3.798 3.798 0.118 1 0 "[ ]" 3
558 1 105 ALA MB 1 106 LEU H . . 4.170 2.392 2.392 2.392 . 0 0 "[ ]" 3
559 1 106 LEU H 1 106 LEU HA . . 3.010 2.831 2.831 2.831 . 0 0 "[ ]" 3
560 1 106 LEU H 1 106 LEU HB2 . . 2.980 2.311 2.311 2.311 . 0 0 "[ ]" 3
561 1 106 LEU H 1 106 LEU HB3 . . 2.680 2.609 2.609 2.609 . 0 0 "[ ]" 3
562 1 106 LEU H 1 107 LYS H . . 3.020 2.545 2.545 2.545 . 0 0 "[ ]" 3
563 1 106 LEU H 1 108 LYS H . . 5.910 4.364 4.364 4.364 . 0 0 "[ ]" 3
564 1 106 LEU H 1 110 LEU MD2 . . 8.080 5.423 5.423 5.423 . 0 0 "[ ]" 3
565 1 106 LEU HA 1 110 LEU H . . 4.280 4.195 4.195 4.195 . 0 0 "[ ]" 3
566 1 106 LEU HB2 1 107 LYS H . . 5.260 3.832 3.832 3.832 . 0 0 "[ ]" 3
567 1 106 LEU HB3 1 107 LYS H . . 2.800 2.761 2.761 2.761 . 0 0 "[ ]" 3
568 1 106 LEU HG 1 107 LYS H . . 4.720 4.334 4.334 4.334 . 0 0 "[ ]" 3
569 1 106 LEU MD1 1 107 LYS H . . 5.830 4.785 4.785 4.785 . 0 0 "[ ]" 3
570 1 106 LEU MD2 1 107 LYS H . . 6.470 4.541 4.541 4.541 . 0 0 "[ ]" 3
571 1 107 LYS H 1 108 LYS H . . 3.290 2.898 2.898 2.898 . 0 0 "[ ]" 3
572 1 107 LYS H 1 110 LEU MD2 . . 8.340 4.638 4.638 4.638 . 0 0 "[ ]" 3
573 1 107 LYS HA 1 110 LEU H . . 5.180 3.353 3.353 3.353 . 0 0 "[ ]" 3
574 1 107 LYS HA 1 111 GLU H . . 5.470 4.315 4.315 4.315 . 0 0 "[ ]" 3
575 1 107 LYS QB 1 108 LYS H . . 4.550 2.444 2.444 2.444 . 0 0 "[ ]" 3
576 1 107 LYS HG2 1 111 GLU H . . 6.500 4.353 4.353 4.353 . 0 0 "[ ]" 3
577 1 107 LYS HG3 1 111 GLU H . . 6.500 5.981 5.981 5.981 . 0 0 "[ ]" 3
578 1 107 LYS QG 1 108 LYS H . . 6.180 3.980 3.980 3.980 . 0 0 "[ ]" 3
579 1 107 LYS QG 1 111 GLU H . . 5.680 4.253 4.253 4.253 . 0 0 "[ ]" 3
580 1 108 LYS H 1 108 LYS HG3 . . 3.330 3.044 3.044 3.044 . 0 0 "[ ]" 3
581 1 108 LYS H 1 109 ALA H . . 2.940 2.645 2.645 2.645 . 0 0 "[ ]" 3
582 1 108 LYS HA 1 111 GLU H . . 3.870 3.228 3.228 3.228 . 0 0 "[ ]" 3
583 1 108 LYS QB 1 109 ALA H . . 4.370 3.627 3.627 3.627 . 0 0 "[ ]" 3
584 1 109 ALA H 1 109 ALA HA . . 3.000 2.808 2.808 2.808 . 0 0 "[ ]" 3
585 1 109 ALA H 1 110 LEU H . . 3.180 2.634 2.634 2.634 . 0 0 "[ ]" 3
586 1 109 ALA H 1 110 LEU HG . . 6.740 5.867 5.867 5.867 . 0 0 "[ ]" 3
587 1 109 ALA H 1 111 GLU H . . 5.910 4.052 4.052 4.052 . 0 0 "[ ]" 3
588 1 109 ALA HA 1 112 GLU H . . 4.120 3.393 3.393 3.393 . 0 0 "[ ]" 3
589 1 110 LEU H 1 110 LEU HB2 . . 3.050 2.168 2.168 2.168 . 0 0 "[ ]" 3
590 1 110 LEU H 1 110 LEU HB3 . . 3.440 3.459 3.459 3.459 0.019 1 0 "[ ]" 3
591 1 110 LEU H 1 110 LEU HG . . 3.480 3.601 3.601 3.601 0.121 1 0 "[ ]" 3
592 1 110 LEU H 1 110 LEU MD1 . . 5.880 4.091 4.091 4.091 . 0 0 "[ ]" 3
593 1 110 LEU H 1 110 LEU MD2 . . 5.570 2.129 2.129 2.129 . 0 0 "[ ]" 3
594 1 110 LEU H 1 111 GLU H . . 3.180 2.670 2.670 2.670 . 0 0 "[ ]" 3
595 1 110 LEU HA 1 113 ALA H . . 4.080 3.423 3.423 3.423 . 0 0 "[ ]" 3
596 1 110 LEU HB2 1 111 GLU H . . 3.090 2.836 2.836 2.836 . 0 0 "[ ]" 3
597 1 110 LEU HB2 1 115 ALA H . . 6.740 4.933 4.933 4.933 . 0 0 "[ ]" 3
598 1 110 LEU HB3 1 111 GLU H . . 4.080 3.438 3.438 3.438 . 0 0 "[ ]" 3
599 1 110 LEU HB3 1 115 ALA H . . 6.060 3.549 3.549 3.549 . 0 0 "[ ]" 3
600 1 110 LEU HB3 1 117 VAL H . . 6.740 4.787 4.787 4.787 . 0 0 "[ ]" 3
601 1 110 LEU HG 1 111 GLU H . . 6.740 5.068 5.068 5.068 . 0 0 "[ ]" 3
602 1 110 LEU MD1 1 111 GLU H . . 6.600 4.874 4.874 4.874 . 0 0 "[ ]" 3
603 1 110 LEU MD2 1 111 GLU H . . 8.340 4.199 4.199 4.199 . 0 0 "[ ]" 3
604 1 110 LEU MD2 1 118 GLU H . . 8.340 7.031 7.031 7.031 . 0 0 "[ ]" 3
605 1 111 GLU H 1 111 GLU HB2 . . 2.940 2.370 2.370 2.370 . 0 0 "[ ]" 3
606 1 111 GLU H 1 111 GLU HB3 . . 4.120 3.536 3.536 3.536 . 0 0 "[ ]" 3
607 1 111 GLU H 1 111 GLU HG2 . . 4.200 3.346 3.346 3.346 . 0 0 "[ ]" 3
608 1 111 GLU H 1 111 GLU HG3 . . 3.360 2.330 2.330 2.330 . 0 0 "[ ]" 3
609 1 111 GLU H 1 112 GLU H . . 3.130 2.703 2.703 2.703 . 0 0 "[ ]" 3
610 1 111 GLU H 1 113 ALA H . . 5.300 4.069 4.069 4.069 . 0 0 "[ ]" 3
611 1 111 GLU H 1 115 ALA MB . . 8.340 4.747 4.747 4.747 . 0 0 "[ ]" 3
612 1 111 GLU HA 1 113 ALA H . . 4.570 4.073 4.073 4.073 . 0 0 "[ ]" 3
613 1 111 GLU HA 1 114 GLY H . . 3.910 2.960 2.960 2.960 . 0 0 "[ ]" 3
614 1 111 GLU HA 1 115 ALA H . . 3.220 2.658 2.658 2.658 . 0 0 "[ ]" 3
615 1 111 GLU HB2 1 112 GLU H . . 3.510 2.682 2.682 2.682 . 0 0 "[ ]" 3
616 1 111 GLU HB3 1 112 GLU H . . 5.390 3.601 3.601 3.601 . 0 0 "[ ]" 3
617 1 111 GLU HG2 1 115 ALA H . . 6.740 4.384 4.384 4.384 . 0 0 "[ ]" 3
618 1 111 GLU HG3 1 117 VAL H . . 6.740 5.207 5.207 5.207 . 0 0 "[ ]" 3
619 1 112 GLU H 1 112 GLU HB2 . . 2.680 2.318 2.318 2.318 . 0 0 "[ ]" 3
620 1 112 GLU H 1 112 GLU HB3 . . 4.000 3.523 3.523 3.523 . 0 0 "[ ]" 3
621 1 112 GLU H 1 112 GLU HG2 . . 4.450 2.431 2.431 2.431 . 0 0 "[ ]" 3
622 1 112 GLU H 1 112 GLU HG3 . . 4.450 3.426 3.426 3.426 . 0 0 "[ ]" 3
623 1 112 GLU H 1 112 GLU QG . . 4.200 2.383 2.383 2.383 . 0 0 "[ ]" 3
624 1 112 GLU H 1 113 ALA H . . 2.940 2.747 2.747 2.747 . 0 0 "[ ]" 3
625 1 112 GLU H 1 113 ALA MB . . 5.930 4.359 4.359 4.359 . 0 0 "[ ]" 3
626 1 112 GLU H 1 114 GLY H . . 5.000 3.955 3.955 3.955 . 0 0 "[ ]" 3
627 1 112 GLU HA 1 114 GLY H . . 5.040 4.325 4.325 4.325 . 0 0 "[ ]" 3
628 1 112 GLU HB2 1 113 ALA H . . 3.720 2.904 2.904 2.904 . 0 0 "[ ]" 3
629 1 112 GLU HB3 1 113 ALA H . . 3.870 3.681 3.681 3.681 . 0 0 "[ ]" 3
630 1 113 ALA H 1 113 ALA HA . . 2.940 2.880 2.880 2.880 . 0 0 "[ ]" 3
631 1 113 ALA H 1 114 GLY H . . 3.020 2.316 2.316 2.316 . 0 0 "[ ]" 3
632 1 113 ALA H 1 115 ALA H . . 4.200 4.234 4.234 4.234 0.034 1 0 "[ ]" 3
633 1 113 ALA H 1 115 ALA MB . . 8.340 4.618 4.618 4.618 . 0 0 "[ ]" 3
634 1 113 ALA MB 1 115 ALA H . . 5.610 3.931 3.931 3.931 . 0 0 "[ ]" 3
635 1 114 GLY H 1 114 GLY HA2 . . 2.870 2.347 2.347 2.347 . 0 0 "[ ]" 3
636 1 114 GLY H 1 115 ALA H . . 2.910 2.398 2.398 2.398 . 0 0 "[ ]" 3
637 1 114 GLY H 1 115 ALA MB . . 8.340 3.768 3.768 3.768 . 0 0 "[ ]" 3
638 1 115 ALA H 1 116 GLU H . . 5.870 4.458 4.458 4.458 . 0 0 "[ ]" 3
639 1 115 ALA H 1 117 VAL QG . . 8.360 4.229 4.229 4.229 . 0 0 "[ ]" 3
640 1 115 ALA HA 1 116 GLU H . . 2.570 2.433 2.433 2.433 . 0 0 "[ ]" 3
641 1 115 ALA MB 1 116 GLU H . . 4.290 2.539 2.539 2.539 . 0 0 "[ ]" 3
642 1 115 ALA MB 1 117 VAL H . . 8.340 4.856 4.856 4.856 . 0 0 "[ ]" 3
643 1 116 GLU H 1 116 GLU HB2 . . 3.180 2.648 2.648 2.648 . 0 0 "[ ]" 3
644 1 116 GLU H 1 116 GLU HB3 . . 3.330 2.596 2.596 2.596 . 0 0 "[ ]" 3
645 1 116 GLU H 1 117 VAL H . . 4.410 4.434 4.434 4.434 0.024 1 0 "[ ]" 3
646 1 116 GLU HA 1 117 VAL H . . 2.570 2.204 2.204 2.204 . 0 0 "[ ]" 3
647 1 116 GLU HG2 1 117 VAL H . . 5.080 4.633 4.633 4.633 . 0 0 "[ ]" 3
648 1 116 GLU HG3 1 117 VAL H . . 5.080 3.028 3.028 3.028 . 0 0 "[ ]" 3
649 1 116 GLU QG 1 117 VAL H . . 4.920 2.990 2.990 2.990 . 0 0 "[ ]" 3
650 1 117 VAL H 1 117 VAL HB . . 2.980 2.562 2.562 2.562 . 0 0 "[ ]" 3
651 1 117 VAL H 1 118 GLU H . . 5.870 4.511 4.511 4.511 . 0 0 "[ ]" 3
652 1 117 VAL HA 1 118 GLU H . . 2.570 2.471 2.471 2.471 . 0 0 "[ ]" 3
653 1 117 VAL QG 1 118 GLU H . . 6.050 1.898 1.898 1.898 . 0 0 "[ ]" 3
654 1 118 GLU H 1 118 GLU HB2 . . 3.560 3.337 3.337 3.337 . 0 0 "[ ]" 3
655 1 118 GLU H 1 118 GLU HB3 . . 3.290 2.622 2.622 2.622 . 0 0 "[ ]" 3
656 1 118 GLU H 1 119 VAL H . . 5.780 4.305 4.305 4.305 . 0 0 "[ ]" 3
657 1 118 GLU HA 1 119 VAL H . . 2.570 2.227 2.227 2.227 . 0 0 "[ ]" 3
658 1 118 GLU HB2 1 119 VAL H . . 4.110 4.164 4.164 4.164 0.054 1 0 "[ ]" 3
659 1 118 GLU HG2 1 119 VAL H . . 6.410 3.379 3.379 3.379 . 0 0 "[ ]" 3
660 1 118 GLU HG3 1 119 VAL H . . 6.410 2.736 2.736 2.736 . 0 0 "[ ]" 3
661 1 118 GLU QG 1 119 VAL H . . 6.000 2.625 2.625 2.625 . 0 0 "[ ]" 3
662 1 119 VAL H 1 119 VAL HB . . 2.850 2.556 2.556 2.556 . 0 0 "[ ]" 3
663 1 119 VAL HA 1 120 LYS H . . 2.640 2.185 2.185 2.185 . 0 0 "[ ]" 3
664 1 119 VAL HB 1 120 LYS H . . 4.280 4.326 4.326 4.326 0.046 1 0 "[ ]" 3
665 1 119 VAL QG 1 120 LYS H . . 7.470 2.856 2.856 2.856 . 0 0 "[ ]" 3
666 1 120 LYS H 1 120 LYS HB2 . . 4.040 3.926 3.926 3.926 . 0 0 "[ ]" 3
667 1 120 LYS H 1 120 LYS HB3 . . 4.040 3.257 3.257 3.257 . 0 0 "[ ]" 3
668 1 120 LYS H 1 120 LYS QB . . 3.840 3.108 3.108 3.108 . 0 0 "[ ]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 88
_Distance_constraint_stats_list.Viol_count 14
_Distance_constraint_stats_list.Viol_total 0.903
_Distance_constraint_stats_list.Viol_max 0.100
_Distance_constraint_stats_list.Viol_rms 0.0253
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0103
_Distance_constraint_stats_list.Viol_average_violations_only 0.0645
_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 3 THR 0.160 0.088 1 0 "[ ]"
1 4 LYS 0.100 0.100 1 0 "[ ]"
1 5 ASP 0.000 0.000 . 0 "[ ]"
1 6 GLN 0.160 0.088 1 0 "[ ]"
1 7 ILE 0.154 0.095 1 0 "[ ]"
1 8 ILE 0.152 0.100 1 0 "[ ]"
1 9 GLU 0.000 0.000 . 0 "[ ]"
1 10 ALA 0.060 0.060 1 0 "[ ]"
1 11 VAL 0.095 0.095 1 0 "[ ]"
1 12 ALA 0.052 0.052 1 0 "[ ]"
1 15 SER 0.000 0.000 . 0 "[ ]"
1 16 VAL 0.000 0.000 . 0 "[ ]"
1 17 MET 0.000 0.000 . 0 "[ ]"
1 18 ASP 0.000 0.000 . 0 "[ ]"
1 19 VAL 0.000 0.000 . 0 "[ ]"
1 20 VAL 0.000 0.000 . 0 "[ ]"
1 21 GLU 0.000 0.000 . 0 "[ ]"
1 22 LEU 0.000 0.000 . 0 "[ ]"
1 23 ILE 0.000 0.000 . 0 "[ ]"
1 25 ALA 0.000 0.000 . 0 "[ ]"
1 26 MET 0.000 0.000 . 0 "[ ]"
1 27 GLU 0.000 0.000 . 0 "[ ]"
2 3 THR 0.000 0.000 . 0 "[ ]"
2 4 LYS 0.086 0.086 1 0 "[ ]"
2 5 ASP 0.000 0.000 . 0 "[ ]"
2 6 GLN 0.000 0.000 . 0 "[ ]"
2 7 ILE 0.000 0.000 . 0 "[ ]"
2 8 ILE 0.151 0.086 1 0 "[ ]"
2 9 GLU 0.000 0.000 . 0 "[ ]"
2 10 ALA 0.000 0.000 . 0 "[ ]"
2 11 VAL 0.000 0.000 . 0 "[ ]"
2 12 ALA 0.065 0.065 1 0 "[ ]"
2 15 SER 0.000 0.000 . 0 "[ ]"
2 16 VAL 0.000 0.000 . 0 "[ ]"
2 17 MET 0.000 0.000 . 0 "[ ]"
2 18 ASP 0.069 0.069 1 0 "[ ]"
2 19 VAL 0.000 0.000 . 0 "[ ]"
2 20 VAL 0.000 0.000 . 0 "[ ]"
2 21 GLU 0.024 0.024 1 0 "[ ]"
2 22 LEU 0.159 0.069 1 0 "[ ]"
2 23 ILE 0.103 0.063 1 0 "[ ]"
2 25 ALA 0.024 0.024 1 0 "[ ]"
2 26 MET 0.090 0.050 1 0 "[ ]"
2 27 GLU 0.103 0.063 1 0 "[ ]"
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 THR OG1 1 6 GLN N . 2.600 3.400 3.488 3.488 3.488 0.088 1 0 "[ ]" 4
2 1 3 THR OG1 1 6 GLN H . . 2.500 2.572 2.572 2.572 0.072 1 0 "[ ]" 4
3 1 4 LYS O 1 7 ILE N . 2.700 3.400 2.803 2.803 2.803 . 0 0 "[ ]" 4
4 1 4 LYS C 1 7 ILE H . 2.300 3.500 2.621 2.621 2.621 . 0 0 "[ ]" 4
5 1 4 LYS O 1 7 ILE H . . 2.400 2.039 2.039 2.039 . 0 0 "[ ]" 4
6 1 4 LYS O 1 8 ILE N . 2.600 3.300 3.141 3.141 3.141 . 0 0 "[ ]" 4
7 1 4 LYS C 1 8 ILE H . 2.600 3.500 3.416 3.416 3.416 . 0 0 "[ ]" 4
8 1 4 LYS O 1 8 ILE H . . 2.300 2.400 2.400 2.400 0.100 1 0 "[ ]" 4
9 1 5 ASP O 1 9 GLU N . 2.600 3.300 3.154 3.154 3.154 . 0 0 "[ ]" 4
10 1 5 ASP C 1 9 GLU H . 2.600 3.500 3.413 3.413 3.413 . 0 0 "[ ]" 4
11 1 5 ASP O 1 9 GLU H . . 2.300 2.235 2.235 2.235 . 0 0 "[ ]" 4
12 1 7 ILE O 1 10 ALA N . 2.700 3.400 3.222 3.222 3.222 . 0 0 "[ ]" 4
13 1 7 ILE C 1 10 ALA H . 2.300 3.500 2.607 2.607 2.607 . 0 0 "[ ]" 4
14 1 7 ILE O 1 10 ALA H . . 2.400 2.460 2.460 2.460 0.060 1 0 "[ ]" 4
15 1 7 ILE O 1 11 VAL N . 2.600 3.300 3.264 3.264 3.264 . 0 0 "[ ]" 4
16 1 7 ILE C 1 11 VAL H . 2.600 3.500 3.428 3.428 3.428 . 0 0 "[ ]" 4
17 1 7 ILE O 1 11 VAL H . . 2.300 2.395 2.395 2.395 0.095 1 0 "[ ]" 4
18 1 8 ILE O 1 12 ALA N . 2.700 3.300 3.205 3.205 3.205 . 0 0 "[ ]" 4
19 1 8 ILE C 1 12 ALA H . 2.300 3.500 3.369 3.369 3.369 . 0 0 "[ ]" 4
20 1 8 ILE O 1 12 ALA H . . 2.300 2.352 2.352 2.352 0.052 1 0 "[ ]" 4
21 1 15 SER O 1 19 VAL N . 2.600 3.300 3.018 3.018 3.018 . 0 0 "[ ]" 4
22 1 15 SER C 1 19 VAL H . 2.600 3.500 3.269 3.269 3.269 . 0 0 "[ ]" 4
23 1 15 SER O 1 19 VAL H . . 2.300 2.199 2.199 2.199 . 0 0 "[ ]" 4
24 1 16 VAL O 1 20 VAL N . 2.600 3.300 2.701 2.701 2.701 . 0 0 "[ ]" 4
25 1 16 VAL C 1 20 VAL H . 2.600 3.500 2.947 2.947 2.947 . 0 0 "[ ]" 4
26 1 16 VAL O 1 20 VAL H . . 2.300 1.813 1.813 1.813 . 0 0 "[ ]" 4
27 1 17 MET O 1 21 GLU N . 2.600 3.300 2.884 2.884 2.884 . 0 0 "[ ]" 4
28 1 17 MET C 1 21 GLU H . 2.600 3.500 3.083 3.083 3.083 . 0 0 "[ ]" 4
29 1 17 MET O 1 21 GLU H . . 2.300 1.908 1.908 1.908 . 0 0 "[ ]" 4
30 1 18 ASP O 1 22 LEU N . 2.600 3.300 3.161 3.161 3.161 . 0 0 "[ ]" 4
31 1 18 ASP C 1 22 LEU H . 2.600 3.500 3.169 3.169 3.169 . 0 0 "[ ]" 4
32 1 18 ASP O 1 22 LEU H . . 2.300 2.211 2.211 2.211 . 0 0 "[ ]" 4
33 1 19 VAL O 1 23 ILE N . 2.600 3.300 2.976 2.976 2.976 . 0 0 "[ ]" 4
34 1 19 VAL C 1 23 ILE H . 2.600 3.500 3.186 3.186 3.186 . 0 0 "[ ]" 4
35 1 19 VAL O 1 23 ILE H . . 2.300 2.002 2.002 2.002 . 0 0 "[ ]" 4
36 1 21 GLU O 1 25 ALA N . 2.600 3.300 2.711 2.711 2.711 . 0 0 "[ ]" 4
37 1 21 GLU C 1 25 ALA H . 2.600 3.500 2.947 2.947 2.947 . 0 0 "[ ]" 4
38 1 21 GLU O 1 25 ALA H . . 2.300 1.851 1.851 1.851 . 0 0 "[ ]" 4
39 1 22 LEU O 1 26 MET N . 2.600 3.300 2.931 2.931 2.931 . 0 0 "[ ]" 4
40 1 22 LEU C 1 26 MET H . 2.600 3.500 3.199 3.199 3.199 . 0 0 "[ ]" 4
41 1 22 LEU O 1 26 MET H . . 2.300 2.026 2.026 2.026 . 0 0 "[ ]" 4
42 1 23 ILE O 1 27 GLU N . 2.600 3.300 2.762 2.762 2.762 . 0 0 "[ ]" 4
43 1 23 ILE C 1 27 GLU H . 2.600 3.500 2.970 2.970 2.970 . 0 0 "[ ]" 4
44 1 23 ILE O 1 27 GLU H . . 2.300 1.819 1.819 1.819 . 0 0 "[ ]" 4
45 2 3 THR OG1 2 6 GLN N . 2.600 3.400 3.294 3.294 3.294 . 0 0 "[ ]" 4
46 2 3 THR OG1 2 6 GLN H . . 2.500 2.364 2.364 2.364 . 0 0 "[ ]" 4
47 2 4 LYS O 2 7 ILE N . 2.700 3.400 3.065 3.065 3.065 . 0 0 "[ ]" 4
48 2 4 LYS C 2 7 ILE H . 2.300 3.500 2.729 2.729 2.729 . 0 0 "[ ]" 4
49 2 4 LYS O 2 7 ILE H . . 2.400 2.286 2.286 2.286 . 0 0 "[ ]" 4
50 2 4 LYS O 2 8 ILE N . 2.600 3.300 3.207 3.207 3.207 . 0 0 "[ ]" 4
51 2 4 LYS C 2 8 ILE H . 2.600 3.500 3.397 3.397 3.397 . 0 0 "[ ]" 4
52 2 4 LYS O 2 8 ILE H . . 2.300 2.386 2.386 2.386 0.086 1 0 "[ ]" 4
53 2 5 ASP O 2 9 GLU N . 2.600 3.300 3.192 3.192 3.192 . 0 0 "[ ]" 4
54 2 5 ASP C 2 9 GLU H . 2.600 3.500 3.453 3.453 3.453 . 0 0 "[ ]" 4
55 2 5 ASP O 2 9 GLU H . . 2.300 2.276 2.276 2.276 . 0 0 "[ ]" 4
56 2 7 ILE O 2 10 ALA N . 2.700 3.400 2.928 2.928 2.928 . 0 0 "[ ]" 4
57 2 7 ILE C 2 10 ALA H . 2.300 3.500 2.455 2.455 2.455 . 0 0 "[ ]" 4
58 2 7 ILE O 2 10 ALA H . . 2.400 2.163 2.163 2.163 . 0 0 "[ ]" 4
59 2 7 ILE O 2 11 VAL N . 2.600 3.300 3.009 3.009 3.009 . 0 0 "[ ]" 4
60 2 7 ILE C 2 11 VAL H . 2.600 3.500 3.281 3.281 3.281 . 0 0 "[ ]" 4
61 2 7 ILE O 2 11 VAL H . . 2.300 2.167 2.167 2.167 . 0 0 "[ ]" 4
62 2 8 ILE O 2 12 ALA N . 2.700 3.400 3.318 3.318 3.318 . 0 0 "[ ]" 4
63 2 8 ILE C 2 12 ALA H . 2.300 3.500 3.486 3.486 3.486 . 0 0 "[ ]" 4
64 2 8 ILE O 2 12 ALA H . . 2.400 2.465 2.465 2.465 0.065 1 0 "[ ]" 4
65 2 15 SER O 2 19 VAL N . 2.600 3.300 2.999 2.999 2.999 . 0 0 "[ ]" 4
66 2 15 SER C 2 19 VAL H . 2.600 3.500 3.240 3.240 3.240 . 0 0 "[ ]" 4
67 2 15 SER O 2 19 VAL H . . 2.300 2.231 2.231 2.231 . 0 0 "[ ]" 4
68 2 16 VAL O 2 20 VAL N . 2.600 3.300 2.836 2.836 2.836 . 0 0 "[ ]" 4
69 2 16 VAL C 2 20 VAL H . 2.600 3.500 3.050 3.050 3.050 . 0 0 "[ ]" 4
70 2 16 VAL O 2 20 VAL H . . 2.300 1.930 1.930 1.930 . 0 0 "[ ]" 4
71 2 17 MET O 2 21 GLU N . 2.600 3.300 3.144 3.144 3.144 . 0 0 "[ ]" 4
72 2 17 MET C 2 21 GLU H . 2.600 3.500 3.341 3.341 3.341 . 0 0 "[ ]" 4
73 2 17 MET O 2 21 GLU H . . 2.300 2.226 2.226 2.226 . 0 0 "[ ]" 4
74 2 18 ASP O 2 22 LEU N . 2.600 3.300 3.274 3.274 3.274 . 0 0 "[ ]" 4
75 2 18 ASP C 2 22 LEU H . 2.600 3.500 3.281 3.281 3.281 . 0 0 "[ ]" 4
76 2 18 ASP O 2 22 LEU H . . 2.300 2.369 2.369 2.369 0.069 1 0 "[ ]" 4
77 2 19 VAL O 2 23 ILE N . 2.600 3.300 2.922 2.922 2.922 . 0 0 "[ ]" 4
78 2 19 VAL C 2 23 ILE H . 2.600 3.500 3.214 3.214 3.214 . 0 0 "[ ]" 4
79 2 19 VAL O 2 23 ILE H . . 2.300 1.987 1.987 1.987 . 0 0 "[ ]" 4
80 2 21 GLU O 2 25 ALA N . 2.600 3.300 2.637 2.637 2.637 . 0 0 "[ ]" 4
81 2 21 GLU C 2 25 ALA H . 2.600 3.500 2.889 2.889 2.889 . 0 0 "[ ]" 4
82 2 21 GLU O 2 25 ALA H . . 2.300 1.776 1.776 1.776 0.024 1 0 "[ ]" 4
83 2 22 LEU O 2 26 MET N . 2.600 3.300 3.278 3.278 3.278 . 0 0 "[ ]" 4
84 2 22 LEU C 2 26 MET H . 2.600 3.500 3.540 3.540 3.540 0.040 1 0 "[ ]" 4
85 2 22 LEU O 2 26 MET H . . 2.300 2.350 2.350 2.350 0.050 1 0 "[ ]" 4
86 2 23 ILE O 2 27 GLU N . 2.600 3.300 3.340 3.340 3.340 0.040 1 0 "[ ]" 4
87 2 23 ILE C 2 27 GLU H . 2.600 3.500 3.467 3.467 3.467 . 0 0 "[ ]" 4
88 2 23 ILE O 2 27 GLU H . . 2.300 2.363 2.363 2.363 0.063 1 0 "[ ]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 133
_Distance_constraint_stats_list.Viol_count 17
_Distance_constraint_stats_list.Viol_total 0.779
_Distance_constraint_stats_list.Viol_max 0.103
_Distance_constraint_stats_list.Viol_rms 0.0199
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0059
_Distance_constraint_stats_list.Viol_average_violations_only 0.0458
_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 54 PHE 0.000 0.000 . 0 "[ ]"
1 55 ASP 0.126 0.070 1 0 "[ ]"
1 56 VAL 0.164 0.103 1 0 "[ ]"
1 57 ILE 0.000 0.000 . 0 "[ ]"
1 58 LEU 0.000 0.000 . 0 "[ ]"
1 59 LYS 0.080 0.080 1 0 "[ ]"
1 60 ALA 0.099 0.099 1 0 "[ ]"
1 64 ASN 0.000 0.000 . 0 "[ ]"
1 65 LYS 0.000 0.000 . 0 "[ ]"
1 66 VAL 0.000 0.000 . 0 "[ ]"
1 67 ALA 0.000 0.000 . 0 "[ ]"
1 68 VAL 0.018 0.018 1 0 "[ ]"
1 69 ILE 0.000 0.000 . 0 "[ ]"
1 70 LYS 0.000 0.000 . 0 "[ ]"
1 71 ALA 0.000 0.000 . 0 "[ ]"
1 72 VAL 0.018 0.018 1 0 "[ ]"
1 73 ARG 0.000 0.000 . 0 "[ ]"
1 76 THR 0.080 0.075 1 0 "[ ]"
1 78 LEU 0.080 0.075 1 0 "[ ]"
1 79 GLY 0.018 0.018 1 0 "[ ]"
1 80 LEU 0.000 0.000 . 0 "[ ]"
1 81 LYS 0.000 0.000 . 0 "[ ]"
1 82 GLU 0.000 0.000 . 0 "[ ]"
1 83 ALA 0.018 0.018 1 0 "[ ]"
1 84 LYS 0.000 0.000 . 0 "[ ]"
1 85 ASP 0.000 0.000 . 0 "[ ]"
1 86 LEU 0.000 0.000 . 0 "[ ]"
1 87 VAL 0.000 0.000 . 0 "[ ]"
1 88 GLU 0.000 0.000 . 0 "[ ]"
1 89 SER 0.000 0.000 . 0 "[ ]"
1 90 ALA 0.000 0.000 . 0 "[ ]"
1 92 ALA 0.000 0.000 . 0 "[ ]"
1 94 LEU 0.000 0.000 . 0 "[ ]"
1 95 LYS 0.164 0.103 1 0 "[ ]"
1 97 GLY 0.056 0.052 1 0 "[ ]"
1 98 VAL 0.000 0.000 . 0 "[ ]"
1 99 SER 0.027 0.017 1 0 "[ ]"
1 100 LYS 0.005 0.005 1 0 "[ ]"
1 101 ASP 0.000 0.000 . 0 "[ ]"
1 102 ASP 0.027 0.017 1 0 "[ ]"
1 103 ALA 0.000 0.000 . 0 "[ ]"
1 104 GLU 0.005 0.005 1 0 "[ ]"
1 105 ALA 0.098 0.098 1 0 "[ ]"
1 106 LEU 0.000 0.000 . 0 "[ ]"
1 107 LYS 0.000 0.000 . 0 "[ ]"
1 108 LYS 0.000 0.000 . 0 "[ ]"
1 109 ALA 0.121 0.098 1 0 "[ ]"
1 110 LEU 0.042 0.042 1 0 "[ ]"
1 111 GLU 0.000 0.000 . 0 "[ ]"
1 112 GLU 0.000 0.000 . 0 "[ ]"
1 113 ALA 0.023 0.023 1 0 "[ ]"
1 114 GLY 0.042 0.042 1 0 "[ ]"
1 115 ALA 0.000 0.000 . 0 "[ ]"
1 116 GLU 0.179 0.099 1 0 "[ ]"
1 118 GLU 0.000 0.000 . 0 "[ ]"
1 120 LYS 0.070 0.070 1 0 "[ ]"
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 54 PHE N 1 98 VAL O . 2.600 3.300 3.055 3.055 3.055 . 0 0 "[ ]" 5
2 1 54 PHE H 1 98 VAL C . 2.600 3.500 3.155 3.155 3.155 . 0 0 "[ ]" 5
3 1 54 PHE H 1 98 VAL O . . 2.200 2.060 2.060 2.060 . 0 0 "[ ]" 5
4 1 55 ASP H 1 120 LYS C . 2.600 3.500 3.154 3.154 3.154 . 0 0 "[ ]" 5
5 1 56 VAL N 1 95 LYS O . 2.600 3.300 3.149 3.149 3.149 . 0 0 "[ ]" 5
6 1 56 VAL H 1 95 LYS C . 2.600 3.500 3.159 3.159 3.159 . 0 0 "[ ]" 5
7 1 56 VAL H 1 95 LYS O . . 2.200 2.261 2.261 2.261 0.061 1 0 "[ ]" 5
8 1 57 ILE N 1 118 GLU O . 2.600 3.300 2.901 2.901 2.901 . 0 0 "[ ]" 5
9 1 57 ILE H 1 118 GLU C . 2.600 3.500 3.036 3.036 3.036 . 0 0 "[ ]" 5
10 1 57 ILE H 1 118 GLU O . . 2.200 1.917 1.917 1.917 . 0 0 "[ ]" 5
11 1 58 LEU N 1 92 ALA O . 2.600 3.300 2.771 2.771 2.771 . 0 0 "[ ]" 5
12 1 58 LEU H 1 92 ALA C . 2.600 3.500 2.911 2.911 2.911 . 0 0 "[ ]" 5
13 1 58 LEU H 1 92 ALA O . . 2.200 1.783 1.783 1.783 . 0 0 "[ ]" 5
14 1 59 LYS N 1 116 GLU O . 2.600 3.300 3.208 3.208 3.208 . 0 0 "[ ]" 5
15 1 59 LYS H 1 116 GLU C . 2.600 3.500 3.364 3.364 3.364 . 0 0 "[ ]" 5
16 1 59 LYS H 1 116 GLU O . . 2.200 2.280 2.280 2.280 0.080 1 0 "[ ]" 5
17 1 60 ALA N 1 116 GLU O . 2.600 3.300 3.272 3.272 3.272 . 0 0 "[ ]" 5
18 1 60 ALA H 1 116 GLU C . 2.600 3.500 3.228 3.228 3.228 . 0 0 "[ ]" 5
19 1 60 ALA H 1 116 GLU O . . 2.200 2.299 2.299 2.299 0.099 1 0 "[ ]" 5
20 1 64 ASN O 1 68 VAL N . 2.600 3.300 3.024 3.024 3.024 . 0 0 "[ ]" 5
21 1 64 ASN C 1 68 VAL H . 2.600 3.500 3.184 3.184 3.184 . 0 0 "[ ]" 5
22 1 64 ASN O 1 68 VAL H . . 2.300 2.051 2.051 2.051 . 0 0 "[ ]" 5
23 1 65 LYS O 1 69 ILE N . 2.600 3.300 2.840 2.840 2.840 . 0 0 "[ ]" 5
24 1 65 LYS C 1 69 ILE H . 2.600 3.500 2.937 2.937 2.937 . 0 0 "[ ]" 5
25 1 65 LYS O 1 69 ILE H . . 2.300 1.845 1.845 1.845 . 0 0 "[ ]" 5
26 1 66 VAL O 1 70 LYS N . 2.600 3.300 3.101 3.101 3.101 . 0 0 "[ ]" 5
27 1 66 VAL C 1 70 LYS H . 2.600 3.500 3.291 3.291 3.291 . 0 0 "[ ]" 5
28 1 66 VAL O 1 70 LYS H . . 2.300 2.188 2.188 2.188 . 0 0 "[ ]" 5
29 1 67 ALA O 1 71 ALA N . 2.600 3.300 2.856 2.856 2.856 . 0 0 "[ ]" 5
30 1 67 ALA C 1 71 ALA H . 2.600 3.500 3.046 3.046 3.046 . 0 0 "[ ]" 5
31 1 67 ALA O 1 71 ALA H . . 2.300 1.898 1.898 1.898 . 0 0 "[ ]" 5
32 1 68 VAL O 1 72 VAL N . 2.600 3.300 2.743 2.743 2.743 . 0 0 "[ ]" 5
33 1 68 VAL C 1 72 VAL H . 2.600 3.500 2.974 2.974 2.974 . 0 0 "[ ]" 5
34 1 68 VAL O 1 72 VAL H . . 2.300 1.782 1.782 1.782 0.018 1 0 "[ ]" 5
35 1 69 ILE O 1 73 ARG N . 2.600 3.300 2.989 2.989 2.989 . 0 0 "[ ]" 5
36 1 69 ILE C 1 73 ARG H . 2.600 3.500 3.263 3.263 3.263 . 0 0 "[ ]" 5
37 1 69 ILE O 1 73 ARG H . . 2.300 2.084 2.084 2.084 . 0 0 "[ ]" 5
38 1 72 VAL O 1 76 THR N . 2.600 3.300 2.823 2.823 2.823 . 0 0 "[ ]" 5
39 1 72 VAL C 1 76 THR H . 2.600 3.500 3.120 3.120 3.120 . 0 0 "[ ]" 5
40 1 72 VAL O 1 76 THR H . . 2.300 1.991 1.991 1.991 . 0 0 "[ ]" 5
41 1 79 GLY O 1 83 ALA N . 2.600 3.300 2.768 2.768 2.768 . 0 0 "[ ]" 5
42 1 79 GLY C 1 83 ALA H . 2.600 3.500 3.002 3.002 3.002 . 0 0 "[ ]" 5
43 1 79 GLY O 1 83 ALA H . . 2.300 1.782 1.782 1.782 0.018 1 0 "[ ]" 5
44 1 80 LEU O 1 84 LYS N . 2.600 3.300 2.849 2.849 2.849 . 0 0 "[ ]" 5
45 1 80 LEU C 1 84 LYS H . 2.600 3.500 3.007 3.007 3.007 . 0 0 "[ ]" 5
46 1 80 LEU O 1 84 LYS H . . 2.300 1.914 1.914 1.914 . 0 0 "[ ]" 5
47 1 81 LYS O 1 85 ASP N . 2.600 3.300 2.826 2.826 2.826 . 0 0 "[ ]" 5
48 1 81 LYS C 1 85 ASP H . 2.600 3.500 3.066 3.066 3.066 . 0 0 "[ ]" 5
49 1 81 LYS O 1 85 ASP H . . 2.300 1.882 1.882 1.882 . 0 0 "[ ]" 5
50 1 82 GLU O 1 86 LEU N . 2.600 3.300 2.784 2.784 2.784 . 0 0 "[ ]" 5
51 1 82 GLU C 1 86 LEU H . 2.600 3.500 2.945 2.945 2.945 . 0 0 "[ ]" 5
52 1 82 GLU O 1 86 LEU H . . 2.300 1.802 1.802 1.802 . 0 0 "[ ]" 5
53 1 83 ALA O 1 87 VAL N . 2.600 3.300 2.873 2.873 2.873 . 0 0 "[ ]" 5
54 1 83 ALA C 1 87 VAL H . 2.600 3.500 3.070 3.070 3.070 . 0 0 "[ ]" 5
55 1 83 ALA O 1 87 VAL H . . 2.300 1.883 1.883 1.883 . 0 0 "[ ]" 5
56 1 84 LYS O 1 88 GLU N . 2.600 3.300 2.797 2.797 2.797 . 0 0 "[ ]" 5
57 1 84 LYS C 1 88 GLU H . 2.600 3.500 2.995 2.995 2.995 . 0 0 "[ ]" 5
58 1 84 LYS O 1 88 GLU H . . 2.300 1.865 1.865 1.865 . 0 0 "[ ]" 5
59 1 86 LEU O 1 89 SER N . 2.700 3.400 2.836 2.836 2.836 . 0 0 "[ ]" 5
60 1 86 LEU C 1 89 SER H . 2.300 3.500 2.504 2.504 2.504 . 0 0 "[ ]" 5
61 1 86 LEU O 1 89 SER H . . 2.400 1.950 1.950 1.950 . 0 0 "[ ]" 5
62 1 87 VAL O 1 90 ALA N . 2.700 3.400 3.228 3.228 3.228 . 0 0 "[ ]" 5
63 1 87 VAL C 1 90 ALA H . 2.300 3.500 3.127 3.127 3.127 . 0 0 "[ ]" 5
64 1 87 VAL O 1 90 ALA H . . 2.400 2.396 2.396 2.396 . 0 0 "[ ]" 5
65 1 58 LEU O 1 92 ALA N . 2.600 3.300 3.079 3.079 3.079 . 0 0 "[ ]" 5
66 1 58 LEU C 1 92 ALA H . 2.600 3.500 3.174 3.174 3.174 . 0 0 "[ ]" 5
67 1 58 LEU O 1 92 ALA H . . 2.200 2.191 2.191 2.191 . 0 0 "[ ]" 5
68 1 56 VAL O 1 94 LEU N . 2.600 3.300 2.665 2.665 2.665 . 0 0 "[ ]" 5
69 1 56 VAL C 1 94 LEU H . 2.600 3.500 2.877 2.877 2.877 . 0 0 "[ ]" 5
70 1 56 VAL O 1 94 LEU H . . 2.200 1.728 1.728 1.728 . 0 0 "[ ]" 5
71 1 56 VAL O 1 95 LYS N . 2.600 3.300 3.226 3.226 3.226 . 0 0 "[ ]" 5
72 1 56 VAL C 1 95 LYS H . 2.600 3.500 3.282 3.282 3.282 . 0 0 "[ ]" 5
73 1 56 VAL O 1 95 LYS H . . 2.200 2.303 2.303 2.303 0.103 1 0 "[ ]" 5
74 1 54 PHE O 1 98 VAL N . 2.600 3.300 3.185 3.185 3.185 . 0 0 "[ ]" 5
75 1 54 PHE C 1 98 VAL H . 2.600 3.500 3.225 3.225 3.225 . 0 0 "[ ]" 5
76 1 54 PHE O 1 98 VAL H . . 2.200 2.186 2.186 2.186 . 0 0 "[ ]" 5
77 1 99 SER O 1 103 ALA N . 2.600 3.300 2.876 2.876 2.876 . 0 0 "[ ]" 5
78 1 99 SER C 1 103 ALA H . 2.600 3.500 3.066 3.066 3.066 . 0 0 "[ ]" 5
79 1 99 SER O 1 103 ALA H . . 2.300 1.923 1.923 1.923 . 0 0 "[ ]" 5
80 1 100 LYS O 1 104 GLU N . 2.600 3.300 2.765 2.765 2.765 . 0 0 "[ ]" 5
81 1 100 LYS C 1 104 GLU H . 2.600 3.500 3.002 3.002 3.002 . 0 0 "[ ]" 5
82 1 100 LYS O 1 104 GLU H . . 2.300 1.795 1.795 1.795 0.005 1 0 "[ ]" 5
83 1 101 ASP O 1 105 ALA N . 2.600 3.300 2.917 2.917 2.917 . 0 0 "[ ]" 5
84 1 101 ASP C 1 105 ALA H . 2.600 3.500 3.158 3.158 3.158 . 0 0 "[ ]" 5
85 1 101 ASP O 1 105 ALA H . . 2.300 2.198 2.198 2.198 . 0 0 "[ ]" 5
86 1 102 ASP O 1 106 LEU N . 2.600 3.300 3.191 3.191 3.191 . 0 0 "[ ]" 5
87 1 102 ASP C 1 106 LEU H . 2.600 3.500 3.421 3.421 3.421 . 0 0 "[ ]" 5
88 1 102 ASP O 1 106 LEU H . . 2.300 2.238 2.238 2.238 . 0 0 "[ ]" 5
89 1 103 ALA O 1 107 LYS N . 2.600 3.300 3.001 3.001 3.001 . 0 0 "[ ]" 5
90 1 103 ALA C 1 107 LYS H . 2.600 3.500 3.125 3.125 3.125 . 0 0 "[ ]" 5
91 1 103 ALA O 1 107 LYS H . . 2.300 2.041 2.041 2.041 . 0 0 "[ ]" 5
92 1 104 GLU O 1 108 LYS N . 2.600 3.300 2.853 2.853 2.853 . 0 0 "[ ]" 5
93 1 104 GLU C 1 108 LYS H . 2.600 3.500 2.949 2.949 2.949 . 0 0 "[ ]" 5
94 1 104 GLU O 1 108 LYS H . . 2.300 1.869 1.869 1.869 . 0 0 "[ ]" 5
95 1 105 ALA O 1 109 ALA N . 2.600 3.300 3.237 3.237 3.237 . 0 0 "[ ]" 5
96 1 105 ALA C 1 109 ALA H . 2.600 3.500 3.307 3.307 3.307 . 0 0 "[ ]" 5
97 1 105 ALA O 1 109 ALA H . . 2.300 2.398 2.398 2.398 0.098 1 0 "[ ]" 5
98 1 106 LEU O 1 110 LEU N . 2.600 3.300 2.788 2.788 2.788 . 0 0 "[ ]" 5
99 1 106 LEU C 1 110 LEU H . 2.600 3.500 3.045 3.045 3.045 . 0 0 "[ ]" 5
100 1 106 LEU O 1 110 LEU H . . 2.300 1.885 1.885 1.885 . 0 0 "[ ]" 5
101 1 107 LYS O 1 111 GLU N . 2.600 3.300 2.953 2.953 2.953 . 0 0 "[ ]" 5
102 1 107 LYS C 1 111 GLU H . 2.600 3.500 3.144 3.144 3.144 . 0 0 "[ ]" 5
103 1 107 LYS O 1 111 GLU H . . 2.300 2.008 2.008 2.008 . 0 0 "[ ]" 5
104 1 108 LYS O 1 112 GLU N . 2.600 3.300 2.843 2.843 2.843 . 0 0 "[ ]" 5
105 1 108 LYS C 1 112 GLU H . 2.600 3.500 2.991 2.991 2.991 . 0 0 "[ ]" 5
106 1 108 LYS O 1 112 GLU H . . 2.300 1.895 1.895 1.895 . 0 0 "[ ]" 5
107 1 109 ALA O 1 113 ALA N . 2.600 3.300 3.164 3.164 3.164 . 0 0 "[ ]" 5
108 1 109 ALA C 1 113 ALA H . 2.600 3.500 3.344 3.344 3.344 . 0 0 "[ ]" 5
109 1 109 ALA O 1 113 ALA H . . 2.300 2.323 2.323 2.323 0.023 1 0 "[ ]" 5
110 1 110 LEU O 1 114 GLY N . 2.400 3.500 2.692 2.692 2.692 . 0 0 "[ ]" 5
111 1 110 LEU C 1 114 GLY H . 2.300 3.600 2.912 2.912 2.912 . 0 0 "[ ]" 5
112 1 110 LEU O 1 114 GLY H . . 2.500 1.858 1.858 1.858 0.042 1 0 "[ ]" 5
113 1 111 GLU O 1 114 GLY N . 2.400 3.500 2.875 2.875 2.875 . 0 0 "[ ]" 5
114 1 111 GLU C 1 114 GLY H . 2.300 3.600 2.595 2.595 2.595 . 0 0 "[ ]" 5
115 1 111 GLU O 1 114 GLY H . . 2.500 2.335 2.335 2.335 . 0 0 "[ ]" 5
116 1 110 LEU O 1 115 ALA N . 2.600 3.300 2.948 2.948 2.948 . 0 0 "[ ]" 5
117 1 110 LEU C 1 115 ALA H . 2.600 3.500 2.983 2.983 2.983 . 0 0 "[ ]" 5
118 1 110 LEU O 1 115 ALA H . . 2.200 2.190 2.190 2.190 . 0 0 "[ ]" 5
119 1 60 ALA O 1 116 GLU N . 2.600 3.300 2.780 2.780 2.780 . 0 0 "[ ]" 5
120 1 60 ALA C 1 116 GLU H . 2.600 3.500 2.984 2.984 2.984 . 0 0 "[ ]" 5
121 1 60 ALA O 1 116 GLU H . . 2.200 1.863 1.863 1.863 . 0 0 "[ ]" 5
122 1 57 ILE O 1 118 GLU N . 2.600 3.300 2.802 2.802 2.802 . 0 0 "[ ]" 5
123 1 57 ILE C 1 118 GLU H . 2.600 3.500 3.084 3.084 3.084 . 0 0 "[ ]" 5
124 1 57 ILE O 1 118 GLU H . . 2.200 1.917 1.917 1.917 . 0 0 "[ ]" 5
125 1 55 ASP O 1 120 LYS N . 2.600 3.300 3.245 3.245 3.245 . 0 0 "[ ]" 5
126 1 55 ASP C 1 120 LYS H . 2.600 3.500 3.397 3.397 3.397 . 0 0 "[ ]" 5
127 1 55 ASP O 1 120 LYS H . . 2.200 2.270 2.270 2.270 0.070 1 0 "[ ]" 5
128 1 76 THR OG1 1 78 LEU N . 2.600 3.400 3.475 3.475 3.475 0.075 1 0 "[ ]" 5
129 1 76 THR OG1 1 78 LEU H . . 2.500 2.505 2.505 2.505 0.005 1 0 "[ ]" 5
130 1 55 ASP OD1 1 97 GLY N . 2.600 3.400 3.404 3.404 3.404 0.004 1 0 "[ ]" 5
131 1 55 ASP OD1 1 97 GLY H . . 2.400 2.452 2.452 2.452 0.052 1 0 "[ ]" 5
132 1 99 SER OG 1 102 ASP N . 2.600 3.400 3.417 3.417 3.417 0.017 1 0 "[ ]" 5
133 1 99 SER OG 1 102 ASP H . . 2.500 2.510 2.510 2.510 0.010 1 0 "[ ]" 5
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