Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
606171 | 2n3o RC | 25652 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n3o
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 1699
_Distance_constraint_stats_list.Viol_count 3777
_Distance_constraint_stats_list.Viol_total 3725.861
_Distance_constraint_stats_list.Viol_max 0.269
_Distance_constraint_stats_list.Viol_rms 0.0215
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0055
_Distance_constraint_stats_list.Viol_average_violations_only 0.0493
_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 4 SER 0.556 0.126 3 0 "[ . 1 . 2]"
1 5 LYS 1.503 0.168 5 0 "[ . 1 . 2]"
1 6 LYS 0.577 0.120 14 0 "[ . 1 . 2]"
1 7 PHE 0.909 0.093 18 0 "[ . 1 . 2]"
1 8 LYS 1.487 0.093 18 0 "[ . 1 . 2]"
1 9 GLY 0.176 0.048 18 0 "[ . 1 . 2]"
1 10 ASP 0.619 0.213 13 0 "[ . 1 . 2]"
1 11 SER 0.619 0.213 13 0 "[ . 1 . 2]"
1 12 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 SER 0.146 0.045 18 0 "[ . 1 . 2]"
1 14 ALA 0.498 0.054 7 0 "[ . 1 . 2]"
1 15 GLY 0.034 0.028 4 0 "[ . 1 . 2]"
1 16 VAL 2.823 0.149 1 0 "[ . 1 . 2]"
1 17 PRO 2.150 0.149 1 0 "[ . 1 . 2]"
1 18 SER 0.987 0.088 14 0 "[ . 1 . 2]"
1 19 ARG 8.775 0.252 12 0 "[ . 1 . 2]"
1 20 VAL 5.131 0.154 11 0 "[ . 1 . 2]"
1 21 ILE 5.140 0.141 15 0 "[ . 1 . 2]"
1 22 HIS 0.243 0.054 17 0 "[ . 1 . 2]"
1 23 ILE 5.245 0.133 18 0 "[ . 1 . 2]"
1 24 ARG 0.126 0.031 19 0 "[ . 1 . 2]"
1 25 LYS 0.670 0.073 7 0 "[ . 1 . 2]"
1 26 LEU 2.352 0.102 1 0 "[ . 1 . 2]"
1 27 PRO 4.681 0.142 19 0 "[ . 1 . 2]"
1 28 ILE 6.750 0.134 5 0 "[ . 1 . 2]"
1 29 ASP 4.226 0.134 5 0 "[ . 1 . 2]"
1 30 VAL 7.869 0.161 3 0 "[ . 1 . 2]"
1 31 THR 3.503 0.149 1 0 "[ . 1 . 2]"
1 32 GLU 6.049 0.152 13 0 "[ . 1 . 2]"
1 33 GLY 0.140 0.036 7 0 "[ . 1 . 2]"
1 34 GLU 0.216 0.076 17 0 "[ . 1 . 2]"
1 35 VAL 2.831 0.133 18 0 "[ . 1 . 2]"
1 36 ILE 4.006 0.152 13 0 "[ . 1 . 2]"
1 37 SER 0.873 0.104 11 0 "[ . 1 . 2]"
1 38 LEU 4.037 0.100 11 0 "[ . 1 . 2]"
1 39 GLY 1.209 0.171 11 0 "[ . 1 . 2]"
1 40 LEU 7.469 0.241 20 0 "[ . 1 . 2]"
1 41 PRO 6.978 0.241 20 0 "[ . 1 . 2]"
1 42 PHE 0.951 0.059 17 0 "[ . 1 . 2]"
1 43 GLY 0.865 0.121 11 0 "[ . 1 . 2]"
1 44 LYS 5.030 0.151 12 0 "[ . 1 . 2]"
1 45 VAL 1.680 0.117 16 0 "[ . 1 . 2]"
1 46 THR 2.275 0.144 4 0 "[ . 1 . 2]"
1 47 ASN 6.651 0.269 13 0 "[ . 1 . 2]"
1 48 LEU 2.224 0.089 18 0 "[ . 1 . 2]"
1 49 LEU 5.204 0.223 11 0 "[ . 1 . 2]"
1 50 MET 2.853 0.153 14 0 "[ . 1 . 2]"
1 51 LEU 2.491 0.153 14 0 "[ . 1 . 2]"
1 52 LYS 0.859 0.120 14 0 "[ . 1 . 2]"
1 53 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LYS 0.227 0.064 13 0 "[ . 1 . 2]"
1 55 ASN 0.917 0.091 3 0 "[ . 1 . 2]"
1 56 GLN 0.277 0.102 1 0 "[ . 1 . 2]"
1 57 ALA 2.373 0.086 20 0 "[ . 1 . 2]"
1 58 PHE 1.355 0.102 20 0 "[ . 1 . 2]"
1 59 ILE 3.242 0.093 2 0 "[ . 1 . 2]"
1 60 GLU 7.402 0.269 13 0 "[ . 1 . 2]"
1 61 MET 4.181 0.155 12 0 "[ . 1 . 2]"
1 62 ASN 6.532 0.210 6 0 "[ . 1 . 2]"
1 63 THR 10.091 0.210 6 0 "[ . 1 . 2]"
1 64 GLU 3.022 0.097 19 0 "[ . 1 . 2]"
1 65 GLU 5.740 0.101 15 0 "[ . 1 . 2]"
1 66 ALA 4.898 0.153 14 0 "[ . 1 . 2]"
1 67 ALA 0.940 0.103 12 0 "[ . 1 . 2]"
1 68 ASN 2.872 0.081 10 0 "[ . 1 . 2]"
1 69 THR 2.833 0.072 3 0 "[ . 1 . 2]"
1 70 MET 3.745 0.072 3 0 "[ . 1 . 2]"
1 71 VAL 7.986 0.215 15 0 "[ . 1 . 2]"
1 72 ASN 5.588 0.225 13 0 "[ . 1 . 2]"
1 73 TYR 4.273 0.249 17 0 "[ . 1 . 2]"
1 74 TYR 12.285 0.147 19 0 "[ . 1 . 2]"
1 75 THR 6.329 0.225 13 0 "[ . 1 . 2]"
1 76 SER 0.688 0.109 19 0 "[ . 1 . 2]"
1 77 VAL 6.318 0.249 17 0 "[ . 1 . 2]"
1 78 THR 6.853 0.158 17 0 "[ . 1 . 2]"
1 79 PRO 13.200 0.206 7 0 "[ . 1 . 2]"
1 80 VAL 8.440 0.225 7 0 "[ . 1 . 2]"
1 81 LEU 5.111 0.176 15 0 "[ . 1 . 2]"
1 82 ARG 3.852 0.176 15 0 "[ . 1 . 2]"
1 83 GLY 1.046 0.057 18 0 "[ . 1 . 2]"
1 84 GLN 8.745 0.205 11 0 "[ . 1 . 2]"
1 85 PRO 5.703 0.124 6 0 "[ . 1 . 2]"
1 86 ILE 8.992 0.202 15 0 "[ . 1 . 2]"
1 87 TYR 2.443 0.077 19 0 "[ . 1 . 2]"
1 88 ILE 7.700 0.127 12 0 "[ . 1 . 2]"
1 89 GLN 2.879 0.101 20 0 "[ . 1 . 2]"
1 90 PHE 0.874 0.086 15 0 "[ . 1 . 2]"
1 91 SER 1.342 0.117 14 0 "[ . 1 . 2]"
1 92 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 HIS 0.079 0.024 9 0 "[ . 1 . 2]"
1 94 LYS 0.839 0.106 7 0 "[ . 1 . 2]"
1 95 GLU 3.276 0.173 18 0 "[ . 1 . 2]"
1 96 LEU 10.293 0.223 11 0 "[ . 1 . 2]"
1 97 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 THR 0.404 0.066 20 0 "[ . 1 . 2]"
1 99 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 GLN 0.225 0.034 4 0 "[ . 1 . 2]"
1 105 ALA 0.143 0.028 6 0 "[ . 1 . 2]"
1 106 ARG 1.416 0.120 9 0 "[ . 1 . 2]"
1 107 ALA 0.713 0.064 6 0 "[ . 1 . 2]"
1 108 GLN 0.288 0.061 17 0 "[ . 1 . 2]"
1 109 ALA 0.056 0.016 3 0 "[ . 1 . 2]"
1 110 ALA 1.395 0.069 5 0 "[ . 1 . 2]"
1 111 LEU 3.115 0.065 8 0 "[ . 1 . 2]"
1 112 GLN 0.901 0.059 14 0 "[ . 1 . 2]"
1 113 ALA 0.621 0.057 7 0 "[ . 1 . 2]"
1 114 VAL 2.577 0.069 5 0 "[ . 1 . 2]"
1 115 ASN 1.395 0.049 9 0 "[ . 1 . 2]"
1 116 SER 0.258 0.049 9 0 "[ . 1 . 2]"
1 117 VAL 0.580 0.114 7 0 "[ . 1 . 2]"
1 118 GLN 0.616 0.114 7 0 "[ . 1 . 2]"
1 119 SER 0.178 0.039 12 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 74 TYR HA 1 74 TYR QD . . 3.200 2.016 1.985 2.060 . 0 0 "[ . 1 . 2]" 1
2 1 74 TYR QD 1 79 PRO HD2 . . 4.750 4.135 3.897 4.233 . 0 0 "[ . 1 . 2]" 1
3 1 74 TYR QD 1 79 PRO HD3 . . 4.300 2.582 2.367 2.720 . 0 0 "[ . 1 . 2]" 1
4 1 74 TYR QD 1 79 PRO HG3 . . 4.440 4.028 3.981 4.079 . 0 0 "[ . 1 . 2]" 1
5 1 71 VAL HA 1 74 TYR QD . . 4.410 3.481 3.268 3.624 . 0 0 "[ . 1 . 2]" 1
6 1 73 TYR QD 1 74 TYR QD . . 3.510 3.475 3.208 3.564 0.054 15 0 "[ . 1 . 2]" 1
7 1 73 TYR QD 1 74 TYR HA . . 4.020 3.330 3.229 4.046 0.026 17 0 "[ . 1 . 2]" 1
8 1 73 TYR HA 1 73 TYR QD . . 3.200 2.996 2.517 3.123 . 0 0 "[ . 1 . 2]" 1
9 1 73 TYR QD 1 74 TYR HB3 . . 5.500 5.227 4.797 5.417 . 0 0 "[ . 1 . 2]" 1
10 1 73 TYR QD 1 77 VAL HB . . 4.480 4.238 3.400 4.729 0.249 17 0 "[ . 1 . 2]" 1
11 1 87 TYR HA 1 87 TYR QD . . 3.150 2.838 2.750 2.922 . 0 0 "[ . 1 . 2]" 1
12 1 86 ILE HA 1 87 TYR QD . . 3.780 3.631 3.430 3.811 0.031 12 0 "[ . 1 . 2]" 1
13 1 25 LYS QB 1 87 TYR QD . . 3.410 2.661 2.363 2.997 . 0 0 "[ . 1 . 2]" 1
14 1 78 THR MG 1 87 TYR QD . . 4.590 3.992 3.758 4.147 . 0 0 "[ . 1 . 2]" 1
15 1 23 ILE MG 1 87 TYR QD . . 5.500 5.473 5.144 5.541 0.041 14 0 "[ . 1 . 2]" 1
16 1 86 ILE MG 1 87 TYR QD . . 5.070 4.821 4.710 4.983 . 0 0 "[ . 1 . 2]" 1
17 1 67 ALA MB 1 90 PHE QD . . 4.650 3.648 3.445 3.805 . 0 0 "[ . 1 . 2]" 1
18 1 71 VAL HB 1 90 PHE QD . . 5.010 4.324 4.096 4.779 . 0 0 "[ . 1 . 2]" 1
19 1 71 VAL MG2 1 90 PHE QD . . 4.210 2.969 2.860 3.020 . 0 0 "[ . 1 . 2]" 1
20 1 71 VAL MG1 1 90 PHE QD . . 4.210 2.951 2.732 3.150 . 0 0 "[ . 1 . 2]" 1
21 1 67 ALA HA 1 90 PHE QE . . 4.740 3.852 3.632 4.156 . 0 0 "[ . 1 . 2]" 1
22 1 7 PHE HA 1 7 PHE QD . . 3.680 2.871 2.424 3.740 0.060 18 0 "[ . 1 . 2]" 1
23 1 7 PHE QD 1 8 LYS QD . . 5.500 4.642 2.332 5.552 0.052 5 0 "[ . 1 . 2]" 1
24 1 71 VAL HB 1 90 PHE QE . . 4.210 3.114 2.906 4.296 0.086 15 0 "[ . 1 . 2]" 1
25 1 42 PHE QD 1 69 THR HB . . 4.050 3.071 2.825 3.196 . 0 0 "[ . 1 . 2]" 1
26 1 42 PHE HA 1 42 PHE QE . . 4.820 4.356 4.301 4.386 . 0 0 "[ . 1 . 2]" 1
27 1 42 PHE QE 1 69 THR HB . . 5.260 4.891 4.570 5.022 . 0 0 "[ . 1 . 2]" 1
28 1 42 PHE QE 1 70 MET HA . . 4.350 3.706 3.538 3.909 . 0 0 "[ . 1 . 2]" 1
29 1 42 PHE QE 1 70 MET ME . . 5.270 4.886 4.487 5.275 0.005 17 0 "[ . 1 . 2]" 1
30 1 58 PHE HA 1 58 PHE QD . . 3.980 2.792 2.570 2.939 . 0 0 "[ . 1 . 2]" 1
31 1 58 PHE QD 1 91 SER QB . . 4.210 2.625 2.305 3.300 . 0 0 "[ . 1 . 2]" 1
32 1 49 LEU HG 1 58 PHE QD . . 4.500 3.208 2.765 3.766 . 0 0 "[ . 1 . 2]" 1
33 1 20 VAL MG2 1 58 PHE QD . . 5.500 5.341 5.114 5.503 0.003 2 0 "[ . 1 . 2]" 1
34 1 71 VAL HB 1 90 PHE HZ . . 4.780 2.656 2.494 4.830 0.050 15 0 "[ . 1 . 2]" 1
35 1 71 VAL MG2 1 90 PHE HZ . . 4.970 3.302 2.513 3.453 . 0 0 "[ . 1 . 2]" 1
36 1 71 VAL MG1 1 90 PHE HZ . . 4.970 3.456 2.533 3.639 . 0 0 "[ . 1 . 2]" 1
37 1 42 PHE HZ 1 73 TYR HB3 . . 4.710 2.841 2.509 3.222 . 0 0 "[ . 1 . 2]" 1
38 1 42 PHE HZ 1 73 TYR HB2 . . 4.710 3.382 3.174 3.527 . 0 0 "[ . 1 . 2]" 1
39 1 42 PHE HZ 1 69 THR MG . . 4.980 4.888 4.457 4.992 0.012 13 0 "[ . 1 . 2]" 1
40 1 86 ILE HA 1 87 TYR QE . . 4.540 4.551 4.397 4.574 0.034 20 0 "[ . 1 . 2]" 1
41 1 25 LYS QE 1 87 TYR QE . . 4.550 4.389 3.822 4.571 0.021 11 0 "[ . 1 . 2]" 1
42 1 25 LYS QB 1 87 TYR QE . . 4.140 3.976 3.062 4.178 0.038 10 0 "[ . 1 . 2]" 1
43 1 73 TYR QE 1 77 VAL HB . . 3.880 3.688 3.437 3.813 . 0 0 "[ . 1 . 2]" 1
44 1 74 TYR HA 1 74 TYR QE . . 4.130 4.203 4.180 4.221 0.091 4 0 "[ . 1 . 2]" 1
45 1 74 TYR QE 1 79 PRO HA . . 3.510 2.684 2.400 3.048 . 0 0 "[ . 1 . 2]" 1
46 1 38 LEU HA 1 74 TYR QE . . 4.560 4.492 4.080 4.595 0.035 3 0 "[ . 1 . 2]" 1
47 1 74 TYR QE 1 79 PRO HD3 . . 4.900 3.479 3.305 3.563 . 0 0 "[ . 1 . 2]" 1
48 1 70 MET HA 1 74 TYR QE . . 4.900 4.457 4.313 4.551 . 0 0 "[ . 1 . 2]" 1
49 1 74 TYR QE 1 79 PRO HG3 . . 4.110 4.145 4.109 4.205 0.095 15 0 "[ . 1 . 2]" 1
50 1 38 LEU MD2 1 74 TYR QE . . 4.760 4.748 4.149 4.805 0.045 14 0 "[ . 1 . 2]" 1
51 1 35 VAL HA 1 38 LEU HB3 . . 5.500 4.388 4.191 4.738 . 0 0 "[ . 1 . 2]" 1
52 1 48 LEU HA 1 59 ILE HB . . 4.950 4.202 4.111 4.315 . 0 0 "[ . 1 . 2]" 1
53 1 94 LYS HA 1 94 LYS QE . . 4.130 3.822 2.284 4.236 0.106 7 0 "[ . 1 . 2]" 1
54 1 44 LYS QE 1 115 ASN HA . . 5.180 4.717 3.748 5.206 0.026 15 0 "[ . 1 . 2]" 1
55 1 52 LYS QE 1 52 LYS HG2 . . 3.420 2.587 2.458 2.894 . 0 0 "[ . 1 . 2]" 1
56 1 6 LYS HA 1 6 LYS QE . . 4.540 4.210 2.498 4.572 0.032 20 0 "[ . 1 . 2]" 1
57 1 5 LYS QE 1 5 LYS HG3 . . 3.550 2.439 2.330 2.893 . 0 0 "[ . 1 . 2]" 1
58 1 44 LYS QE 1 46 THR MG . . 3.910 3.352 2.194 3.934 0.024 12 0 "[ . 1 . 2]" 1
59 1 25 LYS QE 1 25 LYS QG . . 2.820 2.165 2.090 2.372 . 0 0 "[ . 1 . 2]" 1
60 1 47 ASN HB3 1 96 LEU QB . . 4.370 1.983 1.877 2.079 . 0 0 "[ . 1 . 2]" 1
61 1 47 ASN HB3 1 96 LEU HG . . 4.860 2.317 2.060 4.294 . 0 0 "[ . 1 . 2]" 1
62 1 47 ASN HB3 1 60 GLU HB2 . . 4.680 3.462 3.338 3.632 . 0 0 "[ . 1 . 2]" 1
63 1 19 ARG QD 1 63 THR HB . . 4.980 4.871 4.607 5.046 0.066 10 0 "[ . 1 . 2]" 1
64 1 74 TYR QD 1 88 ILE HB . . 4.840 4.903 4.866 4.938 0.098 16 0 "[ . 1 . 2]" 1
65 1 74 TYR HB2 1 88 ILE HB . . 5.420 5.178 5.110 5.349 . 0 0 "[ . 1 . 2]" 1
66 1 31 THR HB 1 110 ALA MB . . 5.460 5.246 4.933 5.460 . 0 0 "[ . 1 . 2]" 1
67 1 31 THR HB 1 50 MET ME . . 5.500 4.884 4.139 5.515 0.015 20 0 "[ . 1 . 2]" 1
68 1 37 SER HA 1 40 LEU HB3 . . 4.450 4.036 2.066 4.242 . 0 0 "[ . 1 . 2]" 1
69 1 40 LEU HB3 1 41 PRO HA . . 4.980 4.091 3.979 5.042 0.062 11 0 "[ . 1 . 2]" 1
70 1 69 THR MG 1 73 TYR HB3 . . 4.650 4.319 3.990 4.554 . 0 0 "[ . 1 . 2]" 1
71 1 33 GLY HA3 1 36 ILE HB . . 5.010 4.231 4.023 5.005 . 0 0 "[ . 1 . 2]" 1
72 1 49 LEU MD2 1 98 THR HB . . 5.300 3.937 3.292 5.066 . 0 0 "[ . 1 . 2]" 1
73 1 72 ASN HB2 1 75 THR MG . . 4.980 4.433 4.323 4.595 . 0 0 "[ . 1 . 2]" 1
74 1 78 THR HB 1 85 PRO HB2 . . 5.310 2.981 2.654 4.042 . 0 0 "[ . 1 . 2]" 1
75 1 32 GLU HG2 1 107 ALA HA . . 4.400 2.673 2.108 4.004 . 0 0 "[ . 1 . 2]" 1
76 1 74 TYR HB3 1 78 THR HA . . 5.240 4.326 4.224 4.525 . 0 0 "[ . 1 . 2]" 1
77 1 26 LEU QB 1 55 ASN HB2 . . 4.970 4.491 4.305 4.689 . 0 0 "[ . 1 . 2]" 1
78 1 42 PHE HB3 1 69 THR HB . . 4.550 3.541 3.275 3.694 . 0 0 "[ . 1 . 2]" 1
79 1 44 LYS QE 1 46 THR HB . . 4.020 2.821 2.034 4.088 0.068 2 0 "[ . 1 . 2]" 1
80 1 80 VAL HB 1 83 GLY HA2 . . 4.920 4.649 4.313 4.949 0.029 4 0 "[ . 1 . 2]" 1
81 1 69 THR HA 1 72 ASN HB3 . . 3.510 2.241 2.158 2.284 . 0 0 "[ . 1 . 2]" 1
82 1 20 VAL HA 1 60 GLU HB2 . . 5.170 3.975 3.550 4.477 . 0 0 "[ . 1 . 2]" 1
83 1 60 GLU HB2 1 95 GLU HA . . 5.200 3.990 3.669 4.282 . 0 0 "[ . 1 . 2]" 1
84 1 44 LYS HB3 1 62 ASN HB3 . . 3.550 2.274 2.102 2.492 . 0 0 "[ . 1 . 2]" 1
85 1 44 LYS HB3 1 62 ASN HB2 . . 4.350 3.285 2.805 3.628 . 0 0 "[ . 1 . 2]" 1
86 1 84 GLN QG 1 86 ILE MG . . 5.070 4.913 4.652 5.087 0.017 16 0 "[ . 1 . 2]" 1
87 1 74 TYR QD 1 77 VAL HB . . 4.600 3.990 2.676 4.455 . 0 0 "[ . 1 . 2]" 1
88 1 74 TYR HA 1 77 VAL HB . . 4.710 4.185 2.276 4.857 0.147 19 0 "[ . 1 . 2]" 1
89 1 50 MET QB 1 52 LYS QE . . 4.810 3.448 2.517 4.703 . 0 0 "[ . 1 . 2]" 1
90 1 20 VAL HB 1 91 SER QB . . 3.980 2.122 1.949 2.465 . 0 0 "[ . 1 . 2]" 1
91 1 20 VAL MG2 1 91 SER QB . . 4.510 3.604 3.308 3.910 . 0 0 "[ . 1 . 2]" 1
92 1 20 VAL MG1 1 91 SER QB . . 4.510 2.039 1.949 2.205 . 0 0 "[ . 1 . 2]" 1
93 1 52 LYS QB 1 52 LYS QE . . 3.940 3.855 3.701 3.903 . 0 0 "[ . 1 . 2]" 1
94 1 48 LEU MD2 1 50 MET HG3 . . 4.900 4.188 2.920 4.957 0.057 13 0 "[ . 1 . 2]" 1
95 1 50 MET HG3 1 107 ALA HA . . 5.090 4.911 4.372 5.137 0.047 14 0 "[ . 1 . 2]" 1
96 1 78 THR MG 1 85 PRO HB3 . . 3.470 3.212 3.013 3.360 . 0 0 "[ . 1 . 2]" 1
97 1 44 LYS QE 1 45 VAL HB . . 5.270 4.584 3.624 5.276 0.006 18 0 "[ . 1 . 2]" 1
98 1 80 VAL MG2 1 85 PRO HB2 . . 5.110 4.172 3.417 5.225 0.115 16 0 "[ . 1 . 2]" 1
99 1 80 VAL MG1 1 85 PRO HB2 . . 5.110 4.372 3.199 5.144 0.034 17 0 "[ . 1 . 2]" 1
100 1 27 PRO HD2 1 30 VAL HB . . 4.270 3.848 2.696 4.309 0.039 7 0 "[ . 1 . 2]" 1
101 1 34 GLU QG 1 37 SER QB . . 4.770 4.321 3.489 4.786 0.016 11 0 "[ . 1 . 2]" 1
102 1 28 ILE HA 1 28 ILE HG13 . . 3.750 2.760 2.473 3.262 . 0 0 "[ . 1 . 2]" 1
103 1 19 ARG HB2 1 19 ARG QD . . 3.790 2.551 2.277 3.324 . 0 0 "[ . 1 . 2]" 1
104 1 44 LYS QE 1 46 THR HA . . 4.240 3.029 2.633 3.563 . 0 0 "[ . 1 . 2]" 1
105 1 46 THR HA 1 46 THR MG . . 3.220 3.046 2.646 3.233 0.013 16 0 "[ . 1 . 2]" 1
106 1 36 ILE HG12 1 48 LEU MD1 . . 5.770 3.524 2.205 4.719 . 0 0 "[ . 1 . 2]" 1
107 1 117 VAL HA 1 117 VAL MG1 . . 3.320 2.406 2.217 3.225 . 0 0 "[ . 1 . 2]" 1
108 1 74 TYR QD 1 79 PRO HA . . 4.580 4.257 4.139 4.471 . 0 0 "[ . 1 . 2]" 1
109 1 73 TYR HA 1 73 TYR QE . . 4.660 4.635 4.579 4.760 0.100 17 0 "[ . 1 . 2]" 1
110 1 30 VAL HA 1 31 THR MG . . 3.760 3.201 3.003 3.356 . 0 0 "[ . 1 . 2]" 1
111 1 30 VAL HA 1 30 VAL MG2 . . 3.170 2.185 2.041 3.140 . 0 0 "[ . 1 . 2]" 1
112 1 20 VAL MG2 1 93 HIS QB . . 5.500 3.590 2.681 5.487 . 0 0 "[ . 1 . 2]" 1
113 1 20 VAL MG1 1 93 HIS QB . . 5.500 2.951 2.268 5.524 0.024 9 0 "[ . 1 . 2]" 1
114 1 20 VAL HA 1 60 GLU HB3 . . 5.070 5.015 4.654 5.224 0.154 11 0 "[ . 1 . 2]" 1
115 1 20 VAL HA 1 21 ILE HG13 . . 5.500 5.345 5.117 5.509 0.009 12 0 "[ . 1 . 2]" 1
116 1 63 THR HA 1 64 GLU HB3 . . 5.500 4.625 4.556 4.867 . 0 0 "[ . 1 . 2]" 1
117 1 74 TYR QD 1 78 THR HA . . 4.750 3.443 3.060 3.597 . 0 0 "[ . 1 . 2]" 1
118 1 73 TYR QE 1 77 VAL HA . . 5.500 5.550 5.499 5.593 0.093 17 0 "[ . 1 . 2]" 1
119 1 44 LYS QD 1 62 ASN HB2 . . 4.410 4.237 3.948 4.402 . 0 0 "[ . 1 . 2]" 1
120 1 78 THR HA 1 79 PRO HG2 . . 4.360 4.309 4.283 4.362 0.002 1 0 "[ . 1 . 2]" 1
121 1 78 THR HA 1 79 PRO HG3 . . 4.350 4.424 4.390 4.445 0.095 16 0 "[ . 1 . 2]" 1
122 1 77 VAL HA 1 78 THR MG . . 5.500 5.332 5.205 5.421 . 0 0 "[ . 1 . 2]" 1
123 1 7 PHE HA 1 8 LYS QD . . 4.420 4.075 2.917 4.496 0.076 14 0 "[ . 1 . 2]" 1
124 1 94 LYS HA 1 94 LYS QD . . 3.710 2.506 2.000 3.756 0.046 7 0 "[ . 1 . 2]" 1
125 1 21 ILE HA 1 21 ILE HG12 . . 4.070 3.462 3.354 3.511 . 0 0 "[ . 1 . 2]" 1
126 1 21 ILE HG13 1 90 PHE QD . . 5.000 2.829 2.549 2.990 . 0 0 "[ . 1 . 2]" 1
127 1 106 ARG HA 1 106 ARG HG2 . . 3.660 2.916 2.368 3.780 0.120 9 0 "[ . 1 . 2]" 1
128 1 21 ILE HG12 1 74 TYR HB2 . . 5.500 5.597 5.556 5.641 0.141 15 0 "[ . 1 . 2]" 1
129 1 86 ILE HG12 1 87 TYR HA . . 4.380 4.411 4.361 4.444 0.064 5 0 "[ . 1 . 2]" 1
130 1 80 VAL HA 1 85 PRO HB3 . . 4.220 3.685 3.242 3.974 . 0 0 "[ . 1 . 2]" 1
131 1 84 GLN HA 1 85 PRO HG3 . . 4.570 4.421 4.310 4.518 . 0 0 "[ . 1 . 2]" 1
132 1 80 VAL MG2 1 85 PRO HG3 . . 4.790 3.964 3.346 4.836 0.046 7 0 "[ . 1 . 2]" 1
133 1 80 VAL MG1 1 85 PRO HG3 . . 4.790 4.241 3.626 4.689 . 0 0 "[ . 1 . 2]" 1
134 1 21 ILE HB 1 59 ILE HG13 . . 4.540 2.281 2.169 2.416 . 0 0 "[ . 1 . 2]" 1
135 1 74 TYR HA 1 79 PRO HD2 . . 5.460 5.508 5.473 5.546 0.086 15 0 "[ . 1 . 2]" 1
136 1 52 LYS HA 1 52 LYS QE . . 4.390 3.901 3.737 4.140 . 0 0 "[ . 1 . 2]" 1
137 1 52 LYS HA 1 52 LYS QB . . 2.790 2.425 2.358 2.498 . 0 0 "[ . 1 . 2]" 1
138 1 27 PRO HD2 1 81 LEU HG . . 5.220 4.607 3.915 5.254 0.034 3 0 "[ . 1 . 2]" 1
139 1 34 GLU HA 1 34 GLU QG . . 3.140 2.846 2.351 3.059 . 0 0 "[ . 1 . 2]" 1
140 1 34 GLU HA 1 81 LEU MD1 . . 5.420 4.862 4.256 5.445 0.025 20 0 "[ . 1 . 2]" 1
141 1 34 GLU HA 1 81 LEU MD2 . . 5.420 3.699 3.220 5.449 0.029 17 0 "[ . 1 . 2]" 1
142 1 21 ILE HA 1 90 PHE QD . . 4.540 3.303 3.141 3.478 . 0 0 "[ . 1 . 2]" 1
143 1 63 THR HA 1 63 THR MG . . 2.790 2.513 2.456 2.537 . 0 0 "[ . 1 . 2]" 1
144 1 25 LYS QB 1 86 ILE HA . . 3.710 3.296 2.980 3.719 0.009 7 0 "[ . 1 . 2]" 1
145 1 32 GLU HA 1 48 LEU MD2 . . 3.900 3.155 2.696 3.703 . 0 0 "[ . 1 . 2]" 1
146 1 10 ASP HB2 1 11 SER HA . . 5.500 5.251 4.468 5.499 . 0 0 "[ . 1 . 2]" 1
147 1 106 ARG HA 1 108 GLN QB . . 5.500 5.129 4.611 5.539 0.039 8 0 "[ . 1 . 2]" 1
148 1 38 LEU HA 1 38 LEU HG . . 4.220 3.646 3.622 3.763 . 0 0 "[ . 1 . 2]" 1
149 1 38 LEU HA 1 38 LEU MD1 . . 4.250 3.559 3.516 3.602 . 0 0 "[ . 1 . 2]" 1
150 1 108 GLN HA 1 111 LEU HG . . 5.250 3.940 3.538 5.295 0.045 8 0 "[ . 1 . 2]" 1
151 1 74 TYR HB2 1 79 PRO HG3 . . 5.180 5.183 5.147 5.217 0.037 1 0 "[ . 1 . 2]" 1
152 1 42 PHE HA 1 42 PHE QD . . 3.550 2.590 2.541 2.655 . 0 0 "[ . 1 . 2]" 1
153 1 42 PHE HA 1 69 THR MG . . 4.120 4.120 4.044 4.143 0.023 2 0 "[ . 1 . 2]" 1
154 1 40 LEU HA 1 40 LEU QD . . 2.930 1.990 1.949 2.567 . 0 0 "[ . 1 . 2]" 1
155 1 81 LEU HA 1 81 LEU MD2 . . 4.030 2.262 2.010 3.790 . 0 0 "[ . 1 . 2]" 1
156 1 25 LYS QG 1 87 TYR QD . . 4.140 2.657 2.233 3.191 . 0 0 "[ . 1 . 2]" 1
157 1 47 ASN HA 1 111 LEU MD2 . . 3.520 2.704 2.301 2.993 . 0 0 "[ . 1 . 2]" 1
158 1 47 ASN HB3 1 111 LEU MD2 . . 4.840 4.609 4.264 4.851 0.011 8 0 "[ . 1 . 2]" 1
159 1 37 SER HA 1 40 LEU QD . . 2.820 2.088 2.045 2.125 . 0 0 "[ . 1 . 2]" 1
160 1 52 LYS QE 1 52 LYS HG3 . . 3.420 2.817 2.425 3.014 . 0 0 "[ . 1 . 2]" 1
161 1 32 GLU HA 1 48 LEU MD1 . . 3.900 3.544 3.036 3.878 . 0 0 "[ . 1 . 2]" 1
162 1 48 LEU MD1 1 50 MET HG3 . . 4.900 4.126 3.000 4.702 . 0 0 "[ . 1 . 2]" 1
163 1 87 TYR HA 1 87 TYR QE . . 4.890 4.595 4.548 4.794 . 0 0 "[ . 1 . 2]" 1
164 1 79 PRO HG3 1 87 TYR HA . . 5.500 5.338 5.221 5.464 . 0 0 "[ . 1 . 2]" 1
165 1 111 LEU HA 1 111 LEU MD2 . . 4.150 2.153 2.021 3.827 . 0 0 "[ . 1 . 2]" 1
166 1 94 LYS HA 1 94 LYS QG . . 3.520 2.819 2.134 3.456 . 0 0 "[ . 1 . 2]" 1
167 1 44 LYS HA 1 44 LYS HG3 . . 4.100 3.238 3.134 3.348 . 0 0 "[ . 1 . 2]" 1
168 1 44 LYS HG2 1 62 ASN HB3 . . 3.930 3.077 2.813 3.387 . 0 0 "[ . 1 . 2]" 1
169 1 5 LYS QE 1 5 LYS HG2 . . 3.550 2.792 2.291 3.334 . 0 0 "[ . 1 . 2]" 1
170 1 54 LYS QG 1 55 ASN HA . . 4.600 4.116 3.877 4.382 . 0 0 "[ . 1 . 2]" 1
171 1 81 LEU HA 1 81 LEU MD1 . . 4.030 3.730 2.315 3.903 . 0 0 "[ . 1 . 2]" 1
172 1 35 VAL HA 1 81 LEU MD1 . . 3.920 3.069 2.477 3.699 . 0 0 "[ . 1 . 2]" 1
173 1 46 THR MG 1 62 ASN HA . . 3.070 2.621 2.268 3.089 0.019 4 0 "[ . 1 . 2]" 1
174 1 8 LYS HA 1 8 LYS QG . . 3.450 3.180 2.247 3.510 0.060 11 0 "[ . 1 . 2]" 1
175 1 5 LYS HA 1 5 LYS QE . . 4.630 3.752 2.453 4.675 0.045 10 0 "[ . 1 . 2]" 1
176 1 48 LEU HA 1 96 LEU MD2 . . 4.940 4.360 2.382 4.710 . 0 0 "[ . 1 . 2]" 1
177 1 96 LEU HA 1 96 LEU MD2 . . 3.950 2.092 1.953 3.641 . 0 0 "[ . 1 . 2]" 1
178 1 58 PHE QB 1 96 LEU MD2 . . 3.650 2.414 2.245 2.675 . 0 0 "[ . 1 . 2]" 1
179 1 47 ASN HB2 1 96 LEU MD2 . . 4.160 3.638 2.990 3.794 . 0 0 "[ . 1 . 2]" 1
180 1 5 LYS HA 1 7 PHE QD . . 4.990 4.188 2.557 5.022 0.032 5 0 "[ . 1 . 2]" 1
181 1 35 VAL HA 1 57 ALA MB . . 4.670 4.698 4.616 4.756 0.086 20 0 "[ . 1 . 2]" 1
182 1 96 LEU HA 1 96 LEU MD1 . . 3.950 2.268 2.147 2.384 . 0 0 "[ . 1 . 2]" 1
183 1 58 PHE QB 1 96 LEU MD1 . . 3.650 2.287 2.185 2.465 . 0 0 "[ . 1 . 2]" 1
184 1 60 GLU HB3 1 96 LEU MD1 . . 5.030 4.990 3.479 5.129 0.099 9 0 "[ . 1 . 2]" 1
185 1 47 ASN HA 1 111 LEU MD1 . . 3.520 2.348 2.096 2.942 . 0 0 "[ . 1 . 2]" 1
186 1 47 ASN HB3 1 111 LEU MD1 . . 4.840 3.929 3.675 4.469 . 0 0 "[ . 1 . 2]" 1
187 1 58 PHE HA 1 96 LEU MD1 . . 4.660 4.279 4.077 4.537 . 0 0 "[ . 1 . 2]" 1
188 1 18 SER HA 1 19 ARG QD . . 4.950 4.709 3.047 5.038 0.088 14 0 "[ . 1 . 2]" 1
189 1 58 PHE QE 1 91 SER HA . . 4.680 3.572 2.791 4.676 . 0 0 "[ . 1 . 2]" 1
190 1 42 PHE QD 1 66 ALA HA . . 5.270 5.190 4.977 5.285 0.015 11 0 "[ . 1 . 2]" 1
191 1 44 LYS HA 1 44 LYS QE . . 4.220 3.253 1.776 4.011 . 0 0 "[ . 1 . 2]" 1
192 1 20 VAL HA 1 20 VAL MG2 . . 3.630 2.494 2.437 2.578 . 0 0 "[ . 1 . 2]" 1
193 1 104 GLN QG 1 105 ALA HA . . 4.150 3.618 3.189 4.177 0.027 7 0 "[ . 1 . 2]" 1
194 1 60 GLU HA 1 96 LEU QB . . 5.500 5.098 4.431 5.385 . 0 0 "[ . 1 . 2]" 1
195 1 60 GLU HA 1 96 LEU HG . . 5.500 4.614 4.357 5.715 0.215 11 0 "[ . 1 . 2]" 1
196 1 47 ASN HB3 1 60 GLU HA . . 5.340 5.538 5.429 5.609 0.269 13 0 "[ . 1 . 2]" 1
197 1 95 GLU HA 1 96 LEU HG . . 5.500 5.586 5.536 5.673 0.173 18 0 "[ . 1 . 2]" 1
198 1 20 VAL MG2 1 95 GLU HA . . 4.830 2.611 2.238 3.244 . 0 0 "[ . 1 . 2]" 1
199 1 20 VAL MG1 1 95 GLU HA . . 4.830 3.967 3.722 4.416 . 0 0 "[ . 1 . 2]" 1
200 1 48 LEU HA 1 96 LEU MD1 . . 4.940 3.186 3.009 4.485 . 0 0 "[ . 1 . 2]" 1
201 1 26 LEU MD2 1 55 ASN HA . . 5.500 3.803 3.316 5.551 0.051 19 0 "[ . 1 . 2]" 1
202 1 66 ALA HA 1 69 THR MG . . 4.850 4.661 4.553 4.795 . 0 0 "[ . 1 . 2]" 1
203 1 81 LEU HA 1 81 LEU HG . . 3.770 3.153 2.473 3.376 . 0 0 "[ . 1 . 2]" 1
204 1 63 THR MG 1 66 ALA HA . . 5.500 5.441 5.312 5.524 0.024 2 0 "[ . 1 . 2]" 1
205 1 89 GLN HA 1 90 PHE QD . . 5.200 4.829 4.696 4.934 . 0 0 "[ . 1 . 2]" 1
206 1 71 VAL MG1 1 89 GLN HA . . 5.120 3.252 2.935 3.771 . 0 0 "[ . 1 . 2]" 1
207 1 98 THR HA 1 98 THR MG . . 3.440 2.430 2.081 2.613 . 0 0 "[ . 1 . 2]" 1
208 1 88 ILE MD 1 89 GLN HA . . 4.400 4.472 4.435 4.498 0.098 4 0 "[ . 1 . 2]" 1
209 1 28 ILE MG 1 29 ASP HA . . 4.200 3.749 3.593 4.062 . 0 0 "[ . 1 . 2]" 1
210 1 78 THR MG 1 86 ILE HA . . 3.820 3.350 3.115 3.517 . 0 0 "[ . 1 . 2]" 1
211 1 80 VAL HA 1 80 VAL MG1 . . 3.220 2.615 2.419 2.888 . 0 0 "[ . 1 . 2]" 1
212 1 114 VAL HA 1 114 VAL MG2 . . 3.550 3.183 3.167 3.197 . 0 0 "[ . 1 . 2]" 1
213 1 71 VAL MG2 1 89 GLN HA . . 5.120 3.358 3.082 4.483 . 0 0 "[ . 1 . 2]" 1
214 1 74 TYR QD 1 77 VAL MG1 . . 4.370 3.799 2.316 4.405 0.035 17 0 "[ . 1 . 2]" 1
215 1 27 PRO HG3 1 84 GLN HA . . 5.500 5.482 5.206 5.642 0.142 19 0 "[ . 1 . 2]" 1
216 1 80 VAL HA 1 80 VAL MG2 . . 3.220 2.621 2.320 3.052 . 0 0 "[ . 1 . 2]" 1
217 1 42 PHE QD 1 66 ALA MB . . 5.500 5.495 5.393 5.540 0.040 6 0 "[ . 1 . 2]" 1
218 1 61 MET HA 1 66 ALA MB . . 4.660 4.209 3.931 4.668 0.008 11 0 "[ . 1 . 2]" 1
219 1 63 THR HA 1 66 ALA MB . . 5.160 4.367 4.297 4.415 . 0 0 "[ . 1 . 2]" 1
220 1 63 THR HB 1 66 ALA MB . . 5.440 4.035 3.948 4.117 . 0 0 "[ . 1 . 2]" 1
221 1 67 ALA MB 1 90 PHE QE . . 3.340 2.290 2.097 2.650 . 0 0 "[ . 1 . 2]" 1
222 1 19 ARG QD 1 67 ALA MB . . 4.530 4.371 3.640 4.551 0.021 8 0 "[ . 1 . 2]" 1
223 1 41 PRO HD2 1 42 PHE QE . . 5.500 5.262 4.995 5.431 . 0 0 "[ . 1 . 2]" 1
224 1 41 PRO HD3 1 42 PHE QD . . 5.210 5.227 5.205 5.238 0.028 9 0 "[ . 1 . 2]" 1
225 1 21 ILE MG 1 90 PHE QE . . 5.500 5.427 5.297 5.512 0.012 16 0 "[ . 1 . 2]" 1
226 1 21 ILE HA 1 21 ILE MG . . 3.390 2.632 2.566 2.682 . 0 0 "[ . 1 . 2]" 1
227 1 80 VAL HA 1 85 PRO HD2 . . 5.500 5.285 5.042 5.498 . 0 0 "[ . 1 . 2]" 1
228 1 48 LEU HA 1 59 ILE MG . . 4.050 2.204 2.084 2.320 . 0 0 "[ . 1 . 2]" 1
229 1 85 PRO HD3 1 86 ILE MG . . 5.490 5.270 5.154 5.412 . 0 0 "[ . 1 . 2]" 1
230 1 80 VAL HA 1 86 ILE MG . . 4.490 4.140 3.724 4.524 0.034 15 0 "[ . 1 . 2]" 1
231 1 86 ILE HA 1 86 ILE MG . . 3.190 2.409 2.355 2.453 . 0 0 "[ . 1 . 2]" 1
232 1 39 GLY HA3 1 70 MET ME . . 3.680 2.965 2.350 3.687 0.007 16 0 "[ . 1 . 2]" 1
233 1 38 LEU HA 1 70 MET ME . . 4.980 4.852 4.598 5.017 0.037 16 0 "[ . 1 . 2]" 1
234 1 67 ALA HA 1 70 MET ME . . 5.500 5.341 4.903 5.518 0.018 5 0 "[ . 1 . 2]" 1
235 1 70 MET ME 1 79 PRO HD3 . . 5.500 5.478 5.323 5.539 0.039 16 0 "[ . 1 . 2]" 1
236 1 39 GLY HA2 1 70 MET ME . . 3.680 2.609 2.196 3.293 . 0 0 "[ . 1 . 2]" 1
237 1 104 GLN QG 1 105 ALA MB . . 4.320 3.774 3.039 4.348 0.028 6 0 "[ . 1 . 2]" 1
238 1 87 TYR HA 1 88 ILE MG . . 3.580 3.213 3.027 3.440 . 0 0 "[ . 1 . 2]" 1
239 1 27 PRO HD3 1 86 ILE HG12 . . 4.780 4.716 4.177 4.913 0.133 16 0 "[ . 1 . 2]" 1
240 1 27 PRO HD2 1 86 ILE HG12 . . 5.500 5.354 5.107 5.626 0.126 5 0 "[ . 1 . 2]" 1
241 1 79 PRO HD3 1 88 ILE MG . . 5.070 2.324 2.236 2.400 . 0 0 "[ . 1 . 2]" 1
242 1 70 MET ME 1 88 ILE MG . . 3.940 3.983 3.966 4.006 0.066 6 0 "[ . 1 . 2]" 1
243 1 35 VAL HA 1 50 MET ME . . 5.240 5.020 4.708 5.241 0.001 18 0 "[ . 1 . 2]" 1
244 1 42 PHE QD 1 61 MET ME . . 4.820 4.458 4.094 4.723 . 0 0 "[ . 1 . 2]" 1
245 1 61 MET HA 1 61 MET ME . . 3.790 3.276 2.866 3.880 0.090 14 0 "[ . 1 . 2]" 1
246 1 33 GLY HA2 1 36 ILE MG . . 5.360 4.070 3.784 4.585 . 0 0 "[ . 1 . 2]" 1
247 1 33 GLY HA2 1 36 ILE HB . . 4.260 2.767 2.449 3.778 . 0 0 "[ . 1 . 2]" 1
248 1 79 PRO HD2 1 88 ILE MD . . 5.030 4.698 4.403 4.785 . 0 0 "[ . 1 . 2]" 1
249 1 79 PRO HG2 1 88 ILE MD . . 4.540 4.408 3.851 4.536 . 0 0 "[ . 1 . 2]" 1
250 1 78 THR HA 1 88 ILE MD . . 5.500 5.585 5.521 5.614 0.114 12 0 "[ . 1 . 2]" 1
251 1 27 PRO HD3 1 81 LEU HB3 . . 5.500 5.244 4.127 5.546 0.046 12 0 "[ . 1 . 2]" 1
252 1 23 ILE MD 1 79 PRO HD3 . . 5.500 5.528 5.426 5.569 0.069 19 0 "[ . 1 . 2]" 1
253 1 23 ILE MD 1 35 VAL HA . . 5.200 3.842 3.270 5.200 0.000 14 0 "[ . 1 . 2]" 1
254 1 23 ILE MD 1 79 PRO HD2 . . 5.500 5.526 5.396 5.558 0.058 13 0 "[ . 1 . 2]" 1
255 1 28 ILE HA 1 28 ILE MD . . 3.690 3.211 2.147 3.703 0.013 4 0 "[ . 1 . 2]" 1
256 1 28 ILE HB 1 28 ILE MD . . 3.200 2.291 2.259 2.352 . 0 0 "[ . 1 . 2]" 1
257 1 21 ILE MD 1 90 PHE QE . . 3.830 2.612 2.325 2.991 . 0 0 "[ . 1 . 2]" 1
258 1 21 ILE HA 1 21 ILE MD . . 3.650 3.014 2.838 3.279 . 0 0 "[ . 1 . 2]" 1
259 1 43 GLY HA3 1 66 ALA MB . . 3.680 2.042 1.896 2.171 . 0 0 "[ . 1 . 2]" 1
260 1 83 GLY HA3 1 84 GLN QG . . 5.380 3.737 3.638 3.870 . 0 0 "[ . 1 . 2]" 1
261 1 19 ARG QD 1 63 THR HA . . 3.340 2.871 2.542 3.111 . 0 0 "[ . 1 . 2]" 1
262 1 19 ARG HB3 1 19 ARG QD . . 3.790 2.306 2.026 3.231 . 0 0 "[ . 1 . 2]" 1
263 1 82 ARG QB 1 82 ARG HD2 . . 3.360 2.937 2.250 3.325 . 0 0 "[ . 1 . 2]" 1
264 1 82 ARG QB 1 82 ARG HD3 . . 3.360 2.665 2.268 3.289 . 0 0 "[ . 1 . 2]" 1
265 1 47 ASN HB2 1 96 LEU QB . . 4.290 2.570 2.271 2.893 . 0 0 "[ . 1 . 2]" 1
266 1 19 ARG QD 1 63 THR H . . 4.340 3.917 3.322 4.373 0.033 19 0 "[ . 1 . 2]" 1
267 1 19 ARG QD 1 61 MET H . . 5.450 4.823 3.932 5.463 0.013 16 0 "[ . 1 . 2]" 1
268 1 19 ARG H 1 19 ARG QD . . 3.800 3.624 2.113 3.935 0.135 8 0 "[ . 1 . 2]" 1
269 1 19 ARG QD 1 67 ALA H . . 5.450 5.301 4.275 5.508 0.058 16 0 "[ . 1 . 2]" 1
270 1 19 ARG HA 1 19 ARG QD . . 3.650 3.821 3.711 3.902 0.252 12 0 "[ . 1 . 2]" 1
271 1 106 ARG HA 1 106 ARG QD . . 3.460 2.246 1.996 3.473 0.013 2 0 "[ . 1 . 2]" 1
272 1 106 ARG QB 1 106 ARG QD . . 2.630 2.418 2.221 2.740 0.110 9 0 "[ . 1 . 2]" 1
273 1 106 ARG QD 1 106 ARG HG2 . . 2.580 2.369 2.300 2.423 . 0 0 "[ . 1 . 2]" 1
274 1 106 ARG QD 1 106 ARG HG3 . . 2.580 2.371 2.186 2.442 . 0 0 "[ . 1 . 2]" 1
275 1 106 ARG QD 1 109 ALA MB . . 3.960 2.870 2.503 3.958 . 0 0 "[ . 1 . 2]" 1
276 1 12 ARG QB 1 12 ARG QD . . 3.000 2.640 2.254 2.920 . 0 0 "[ . 1 . 2]" 1
277 1 58 PHE HB3 1 96 LEU MD1 . . 5.220 2.574 2.273 2.918 . 0 0 "[ . 1 . 2]" 1
278 1 96 LEU H 1 96 LEU QB . . 3.690 1.997 1.926 2.157 . 0 0 "[ . 1 . 2]" 1
279 1 47 ASN HD22 1 96 LEU QB . . 4.780 3.514 3.396 4.012 . 0 0 "[ . 1 . 2]" 1
280 1 47 ASN HD21 1 96 LEU QB . . 4.780 2.472 2.161 2.905 . 0 0 "[ . 1 . 2]" 1
281 1 95 GLU HA 1 96 LEU QB . . 4.690 4.063 3.825 4.199 . 0 0 "[ . 1 . 2]" 1
282 1 12 ARG QD 1 12 ARG QG . . 2.460 2.038 2.005 2.119 . 0 0 "[ . 1 . 2]" 1
283 1 38 LEU HB3 1 39 GLY H . . 4.500 4.250 4.186 4.436 . 0 0 "[ . 1 . 2]" 1
284 1 38 LEU H 1 38 LEU HB3 . . 3.900 2.488 2.416 2.738 . 0 0 "[ . 1 . 2]" 1
285 1 38 LEU HB2 1 39 GLY H . . 4.500 4.317 4.251 4.447 . 0 0 "[ . 1 . 2]" 1
286 1 35 VAL HA 1 38 LEU HB2 . . 5.500 5.463 5.318 5.528 0.028 7 0 "[ . 1 . 2]" 1
287 1 38 LEU H 1 38 LEU HB2 . . 3.900 3.581 3.555 3.609 . 0 0 "[ . 1 . 2]" 1
288 1 28 ILE HA 1 52 LYS QE . . 3.990 2.854 2.389 3.222 . 0 0 "[ . 1 . 2]" 1
289 1 21 ILE H 1 59 ILE HB . . 4.860 4.519 4.375 4.642 . 0 0 "[ . 1 . 2]" 1
290 1 59 ILE H 1 59 ILE HB . . 3.840 3.750 3.725 3.793 . 0 0 "[ . 1 . 2]" 1
291 1 59 ILE HB 1 61 MET H . . 5.500 5.041 4.728 5.222 . 0 0 "[ . 1 . 2]" 1
292 1 94 LYS QD 1 94 LYS QE . . 2.400 2.063 2.012 2.120 . 0 0 "[ . 1 . 2]" 1
293 1 44 LYS H 1 44 LYS QE . . 5.500 5.261 4.366 5.651 0.151 12 0 "[ . 1 . 2]" 1
294 1 44 LYS QE 1 45 VAL H . . 4.430 2.719 1.660 3.444 . 0 0 "[ . 1 . 2]" 1
295 1 51 LEU MD2 1 54 LYS QE . . 4.520 2.371 1.658 3.956 . 0 0 "[ . 1 . 2]" 1
296 1 8 LYS QE 1 8 LYS QG . . 2.940 2.265 2.075 2.376 . 0 0 "[ . 1 . 2]" 1
297 1 54 LYS QE 1 54 LYS QG . . 2.940 2.358 2.176 2.535 . 0 0 "[ . 1 . 2]" 1
298 1 111 LEU H 1 111 LEU HB3 . . 3.860 3.456 2.405 3.525 . 0 0 "[ . 1 . 2]" 1
299 1 111 LEU H 1 111 LEU HB2 . . 3.860 2.222 2.150 2.350 . 0 0 "[ . 1 . 2]" 1
300 1 10 ASP HB3 1 11 SER HA . . 5.500 4.864 4.227 5.713 0.213 13 0 "[ . 1 . 2]" 1
301 1 47 ASN HB2 1 96 LEU HG . . 4.970 2.878 2.469 5.040 0.070 11 0 "[ . 1 . 2]" 1
302 1 87 TYR HB3 1 88 ILE H . . 4.360 2.621 2.465 2.742 . 0 0 "[ . 1 . 2]" 1
303 1 87 TYR HB2 1 88 ILE H . . 4.360 3.825 3.466 3.975 . 0 0 "[ . 1 . 2]" 1
304 1 88 ILE HB 1 89 GLN H . . 4.300 3.937 3.825 4.098 . 0 0 "[ . 1 . 2]" 1
305 1 88 ILE HB 1 88 ILE MD . . 3.250 2.487 2.436 2.578 . 0 0 "[ . 1 . 2]" 1
306 1 74 TYR HB3 1 88 ILE HB . . 4.840 4.350 4.281 4.406 . 0 0 "[ . 1 . 2]" 1
307 1 42 PHE HB2 1 61 MET ME . . 4.390 3.061 2.746 3.305 . 0 0 "[ . 1 . 2]" 1
308 1 42 PHE HB3 1 70 MET HA . . 4.830 2.884 2.743 3.158 . 0 0 "[ . 1 . 2]" 1
309 1 42 PHE HB3 1 70 MET HB3 . . 5.280 4.004 3.910 4.211 . 0 0 "[ . 1 . 2]" 1
310 1 42 PHE HB3 1 70 MET H . . 4.780 3.405 3.334 3.471 . 0 0 "[ . 1 . 2]" 1
311 1 42 PHE HB3 1 43 GLY H . . 4.660 4.221 3.938 4.327 . 0 0 "[ . 1 . 2]" 1
312 1 42 PHE HB3 1 61 MET ME . . 4.180 3.423 2.919 3.637 . 0 0 "[ . 1 . 2]" 1
313 1 42 PHE HB3 1 70 MET HB2 . . 5.280 2.335 2.245 2.561 . 0 0 "[ . 1 . 2]" 1
314 1 42 PHE HB3 1 66 ALA MB . . 4.460 4.152 3.996 4.292 . 0 0 "[ . 1 . 2]" 1
315 1 40 LEU H 1 40 LEU HB2 . . 3.910 2.149 2.075 3.014 . 0 0 "[ . 1 . 2]" 1
316 1 21 ILE H 1 21 ILE HB . . 3.850 2.561 2.445 2.625 . 0 0 "[ . 1 . 2]" 1
317 1 21 ILE HB 1 59 ILE H . . 4.530 4.012 3.872 4.119 . 0 0 "[ . 1 . 2]" 1
318 1 20 VAL HA 1 21 ILE HB . . 4.590 4.310 4.247 4.401 . 0 0 "[ . 1 . 2]" 1
319 1 39 GLY H 1 40 LEU HB2 . . 4.850 3.973 3.906 4.101 . 0 0 "[ . 1 . 2]" 1
320 1 37 SER HA 1 40 LEU HB2 . . 3.860 2.641 2.500 3.262 . 0 0 "[ . 1 . 2]" 1
321 1 40 LEU HB2 1 41 PRO HD2 . . 4.290 2.769 2.664 4.302 0.012 11 0 "[ . 1 . 2]" 1
322 1 40 LEU HB2 1 41 PRO HD3 . . 4.400 2.592 2.343 4.170 . 0 0 "[ . 1 . 2]" 1
323 1 40 LEU HB2 1 40 LEU QD . . 2.850 2.224 2.130 2.244 . 0 0 "[ . 1 . 2]" 1
324 1 40 LEU HB3 1 41 PRO HD2 . . 4.440 3.568 2.887 3.720 . 0 0 "[ . 1 . 2]" 1
325 1 39 GLY H 1 40 LEU HB3 . . 5.500 5.410 3.247 5.547 0.047 16 0 "[ . 1 . 2]" 1
326 1 40 LEU H 1 40 LEU HB3 . . 3.780 3.338 1.957 3.448 . 0 0 "[ . 1 . 2]" 1
327 1 40 LEU HB3 1 41 PRO HD3 . . 4.270 2.888 2.598 3.007 . 0 0 "[ . 1 . 2]" 1
328 1 63 THR H 1 63 THR HB . . 4.100 3.873 3.846 3.905 . 0 0 "[ . 1 . 2]" 1
329 1 63 THR HB 1 64 GLU HB3 . . 5.240 4.543 4.368 4.800 . 0 0 "[ . 1 . 2]" 1
330 1 86 ILE HB 1 87 TYR H . . 3.790 2.454 2.324 2.607 . 0 0 "[ . 1 . 2]" 1
331 1 23 ILE MG 1 86 ILE HB . . 3.510 3.440 3.250 3.526 0.016 3 0 "[ . 1 . 2]" 1
332 1 86 ILE HB 1 87 TYR HA . . 5.010 4.904 4.799 5.012 0.002 5 0 "[ . 1 . 2]" 1
333 1 31 THR HB 1 33 GLY H . . 4.300 3.187 2.883 3.653 . 0 0 "[ . 1 . 2]" 1
334 1 67 ALA MB 1 68 ASN HB3 . . 4.790 4.466 4.411 4.586 . 0 0 "[ . 1 . 2]" 1
335 1 68 ASN H 1 68 ASN HB2 . . 3.480 2.596 2.564 2.638 . 0 0 "[ . 1 . 2]" 1
336 1 29 ASP H 1 29 ASP HB3 . . 3.810 2.955 2.497 3.587 . 0 0 "[ . 1 . 2]" 1
337 1 29 ASP HB3 1 30 VAL H . . 4.500 4.110 3.330 4.449 . 0 0 "[ . 1 . 2]" 1
338 1 28 ILE MG 1 29 ASP HB3 . . 4.310 3.772 2.961 4.401 0.091 14 0 "[ . 1 . 2]" 1
339 1 29 ASP HB2 1 30 VAL H . . 4.500 4.114 3.679 4.373 . 0 0 "[ . 1 . 2]" 1
340 1 29 ASP H 1 29 ASP HB2 . . 3.810 2.788 2.283 3.598 . 0 0 "[ . 1 . 2]" 1
341 1 28 ILE MG 1 29 ASP HB2 . . 4.310 3.617 2.877 4.417 0.107 3 0 "[ . 1 . 2]" 1
342 1 65 GLU HA 1 68 ASN HB3 . . 3.980 2.146 2.097 2.189 . 0 0 "[ . 1 . 2]" 1
343 1 68 ASN H 1 68 ASN HB3 . . 3.480 2.249 2.233 2.269 . 0 0 "[ . 1 . 2]" 1
344 1 68 ASN HB3 1 69 THR H . . 4.220 2.578 2.546 2.648 . 0 0 "[ . 1 . 2]" 1
345 1 68 ASN HB2 1 69 THR H . . 4.220 3.977 3.952 4.021 . 0 0 "[ . 1 . 2]" 1
346 1 65 GLU HA 1 68 ASN HB2 . . 3.980 3.254 3.168 3.380 . 0 0 "[ . 1 . 2]" 1
347 1 115 ASN HA 1 115 ASN HB3 . . 3.010 2.532 2.496 2.578 . 0 0 "[ . 1 . 2]" 1
348 1 115 ASN HB3 1 116 SER QB . . 5.270 4.661 3.499 5.319 0.049 9 0 "[ . 1 . 2]" 1
349 1 115 ASN HA 1 115 ASN HB2 . . 3.010 3.032 3.022 3.042 0.032 3 0 "[ . 1 . 2]" 1
350 1 115 ASN HB2 1 116 SER QB . . 5.270 4.560 3.929 5.286 0.016 14 0 "[ . 1 . 2]" 1
351 1 69 THR MG 1 73 TYR HB2 . . 4.650 3.418 3.241 3.770 . 0 0 "[ . 1 . 2]" 1
352 1 73 TYR HB3 1 74 TYR H . . 4.580 2.480 2.396 2.621 . 0 0 "[ . 1 . 2]" 1
353 1 73 TYR HB2 1 74 TYR H . . 4.580 3.727 3.608 3.979 . 0 0 "[ . 1 . 2]" 1
354 1 36 ILE H 1 36 ILE HB . . 3.470 2.382 2.301 2.927 . 0 0 "[ . 1 . 2]" 1
355 1 36 ILE HB 1 37 SER H . . 3.890 2.762 2.613 2.914 . 0 0 "[ . 1 . 2]" 1
356 1 28 ILE HB 1 30 VAL H . . 5.360 5.401 5.318 5.462 0.102 10 0 "[ . 1 . 2]" 1
357 1 35 VAL H 1 36 ILE HB . . 5.500 4.778 4.610 5.405 . 0 0 "[ . 1 . 2]" 1
358 1 72 ASN HB3 1 75 THR MG . . 4.980 4.777 4.695 4.895 . 0 0 "[ . 1 . 2]" 1
359 1 69 THR HA 1 72 ASN HB2 . . 3.510 3.397 3.244 3.447 . 0 0 "[ . 1 . 2]" 1
360 1 34 GLU H 1 34 GLU QG . . 4.270 2.431 1.960 4.042 . 0 0 "[ . 1 . 2]" 1
361 1 28 ILE HA 1 28 ILE HB . . 2.850 2.327 2.263 2.368 . 0 0 "[ . 1 . 2]" 1
362 1 34 GLU QG 1 35 VAL H . . 4.480 3.994 3.742 4.181 . 0 0 "[ . 1 . 2]" 1
363 1 44 LYS HB2 1 62 ASN HB3 . . 4.600 3.929 3.775 4.153 . 0 0 "[ . 1 . 2]" 1
364 1 44 LYS QD 1 62 ASN HB3 . . 5.070 4.583 4.438 4.821 . 0 0 "[ . 1 . 2]" 1
365 1 46 THR MG 1 62 ASN HB3 . . 4.020 3.951 3.520 4.112 0.092 16 0 "[ . 1 . 2]" 1
366 1 61 MET HA 1 62 ASN HB2 . . 5.340 4.590 4.430 4.695 . 0 0 "[ . 1 . 2]" 1
367 1 44 LYS HB2 1 62 ASN HB2 . . 5.280 4.562 4.131 4.904 . 0 0 "[ . 1 . 2]" 1
368 1 62 ASN HB3 1 63 THR HA . . 4.920 4.735 4.593 4.821 . 0 0 "[ . 1 . 2]" 1
369 1 74 TYR HB3 1 79 PRO HG2 . . 5.500 5.558 5.527 5.577 0.077 1 0 "[ . 1 . 2]" 1
370 1 74 TYR HB3 1 88 ILE H . . 5.030 4.840 4.742 4.954 . 0 0 "[ . 1 . 2]" 1
371 1 71 VAL H 1 74 TYR HB2 . . 5.500 4.745 4.622 4.802 . 0 0 "[ . 1 . 2]" 1
372 1 73 TYR H 1 74 TYR HB2 . . 5.500 4.454 4.352 4.629 . 0 0 "[ . 1 . 2]" 1
373 1 78 THR H 1 78 THR HB . . 2.970 2.701 2.420 2.808 . 0 0 "[ . 1 . 2]" 1
374 1 78 THR HB 1 85 PRO HB3 . . 5.420 3.398 3.005 4.718 . 0 0 "[ . 1 . 2]" 1
375 1 26 LEU QB 1 55 ASN HB3 . . 4.970 3.403 3.115 3.805 . 0 0 "[ . 1 . 2]" 1
376 1 25 LYS H 1 55 ASN HB2 . . 5.130 3.393 2.988 3.686 . 0 0 "[ . 1 . 2]" 1
377 1 65 GLU HA 1 65 GLU HG3 . . 3.810 3.740 3.720 3.754 . 0 0 "[ . 1 . 2]" 1
378 1 65 GLU H 1 65 GLU HG2 . . 4.250 2.006 1.972 2.063 . 0 0 "[ . 1 . 2]" 1
379 1 65 GLU HG2 1 66 ALA H . . 4.100 2.687 2.616 2.743 . 0 0 "[ . 1 . 2]" 1
380 1 65 GLU HA 1 65 GLU HG2 . . 3.810 3.764 3.749 3.786 . 0 0 "[ . 1 . 2]" 1
381 1 74 TYR H 1 75 THR HB . . 5.230 4.810 4.781 4.891 . 0 0 "[ . 1 . 2]" 1
382 1 75 THR H 1 75 THR HB . . 3.430 2.431 2.389 2.590 . 0 0 "[ . 1 . 2]" 1
383 1 72 ASN H 1 75 THR HB . . 4.610 4.812 4.723 4.835 0.225 13 0 "[ . 1 . 2]" 1
384 1 80 VAL H 1 80 VAL HB . . 3.640 3.056 2.418 3.865 0.225 7 0 "[ . 1 . 2]" 1
385 1 80 VAL HB 1 85 PRO HD3 . . 5.380 4.401 2.870 5.415 0.035 14 0 "[ . 1 . 2]" 1
386 1 80 VAL HB 1 81 LEU H . . 4.170 3.772 3.052 4.252 0.082 2 0 "[ . 1 . 2]" 1
387 1 79 PRO HA 1 80 VAL HB . . 5.110 4.778 4.324 5.316 0.206 7 0 "[ . 1 . 2]" 1
388 1 66 ALA MB 1 69 THR HB . . 5.000 4.691 4.540 4.828 . 0 0 "[ . 1 . 2]" 1
389 1 69 THR H 1 69 THR HB . . 3.650 2.583 2.551 2.616 . 0 0 "[ . 1 . 2]" 1
390 1 69 THR HB 1 72 ASN H . . 5.500 5.512 5.435 5.531 0.031 4 0 "[ . 1 . 2]" 1
391 1 69 THR HB 1 70 MET H . . 3.740 2.778 2.725 2.826 . 0 0 "[ . 1 . 2]" 1
392 1 69 THR HB 1 70 MET HA . . 4.760 4.153 4.098 4.192 . 0 0 "[ . 1 . 2]" 1
393 1 61 MET ME 1 69 THR HB . . 5.500 5.418 4.946 5.565 0.065 11 0 "[ . 1 . 2]" 1
394 1 44 LYS QD 1 46 THR HB . . 4.750 4.280 4.047 4.631 . 0 0 "[ . 1 . 2]" 1
395 1 95 GLU QG 1 96 LEU H . . 4.230 3.597 2.238 3.905 . 0 0 "[ . 1 . 2]" 1
396 1 95 GLU H 1 95 GLU QG . . 3.920 2.802 2.064 4.056 0.136 1 0 "[ . 1 . 2]" 1
397 1 95 GLU HA 1 95 GLU QG . . 3.410 3.019 2.319 3.471 0.061 15 0 "[ . 1 . 2]" 1
398 1 108 GLN H 1 108 GLN QG . . 4.210 3.366 2.209 3.980 . 0 0 "[ . 1 . 2]" 1
399 1 108 GLN HA 1 108 GLN QG . . 2.940 2.468 2.269 3.001 0.061 17 0 "[ . 1 . 2]" 1
400 1 43 GLY HA2 1 44 LYS HB2 . . 4.870 4.726 4.684 4.795 . 0 0 "[ . 1 . 2]" 1
401 1 43 GLY HA3 1 44 LYS HB3 . . 5.110 4.692 4.611 4.790 . 0 0 "[ . 1 . 2]" 1
402 1 42 PHE QE 1 69 THR HA . . 5.500 5.419 5.192 5.516 0.016 16 0 "[ . 1 . 2]" 1
403 1 112 GLN H 1 112 GLN HG2 . . 3.790 3.450 3.241 3.704 . 0 0 "[ . 1 . 2]" 1
404 1 112 GLN HA 1 112 GLN HG2 . . 3.290 2.518 2.466 2.567 . 0 0 "[ . 1 . 2]" 1
405 1 112 GLN H 1 112 GLN HG3 . . 3.790 2.181 2.019 2.395 . 0 0 "[ . 1 . 2]" 1
406 1 112 GLN HA 1 112 GLN HG3 . . 3.290 2.990 2.739 3.161 . 0 0 "[ . 1 . 2]" 1
407 1 44 LYS HB2 1 45 VAL H . . 4.370 4.178 4.043 4.297 . 0 0 "[ . 1 . 2]" 1
408 1 44 LYS H 1 44 LYS HB2 . . 3.590 2.644 2.555 2.785 . 0 0 "[ . 1 . 2]" 1
409 1 44 LYS HB2 1 44 LYS QE . . 4.120 3.816 3.072 4.165 0.045 20 0 "[ . 1 . 2]" 1
410 1 44 LYS HB2 1 62 ASN H . . 5.500 5.124 4.905 5.511 0.011 16 0 "[ . 1 . 2]" 1
411 1 44 LYS HB3 1 62 ASN H . . 4.420 3.590 3.298 4.064 . 0 0 "[ . 1 . 2]" 1
412 1 44 LYS HB3 1 45 VAL H . . 4.480 4.313 4.134 4.499 0.019 20 0 "[ . 1 . 2]" 1
413 1 44 LYS H 1 44 LYS HB3 . . 3.550 2.254 2.167 2.362 . 0 0 "[ . 1 . 2]" 1
414 1 44 LYS HB3 1 62 ASN HD22 . . 5.500 4.717 4.444 4.869 . 0 0 "[ . 1 . 2]" 1
415 1 44 LYS HB3 1 44 LYS QE . . 4.260 4.095 3.752 4.292 0.032 10 0 "[ . 1 . 2]" 1
416 1 69 THR HA 1 72 ASN H . . 3.790 3.431 3.349 3.474 . 0 0 "[ . 1 . 2]" 1
417 1 35 VAL HA 1 38 LEU HG . . 3.740 3.286 2.619 3.525 . 0 0 "[ . 1 . 2]" 1
418 1 69 THR HA 1 72 ASN HD21 . . 5.500 3.179 3.087 3.217 . 0 0 "[ . 1 . 2]" 1
419 1 81 LEU H 1 84 GLN QG . . 5.340 5.038 4.894 5.227 . 0 0 "[ . 1 . 2]" 1
420 1 84 GLN H 1 84 GLN QG . . 3.180 2.749 2.643 2.883 . 0 0 "[ . 1 . 2]" 1
421 1 84 GLN HA 1 84 GLN QG . . 3.220 2.412 2.354 2.521 . 0 0 "[ . 1 . 2]" 1
422 1 77 VAL HB 1 78 THR H . . 4.140 3.016 2.464 4.150 0.010 12 0 "[ . 1 . 2]" 1
423 1 77 VAL H 1 77 VAL HB . . 3.890 3.628 2.684 3.965 0.075 20 0 "[ . 1 . 2]" 1
424 1 74 TYR QE 1 77 VAL HB . . 5.500 4.741 4.125 5.079 . 0 0 "[ . 1 . 2]" 1
425 1 50 MET QB 1 51 LEU H . . 3.950 3.053 2.554 3.485 . 0 0 "[ . 1 . 2]" 1
426 1 77 VAL HB 1 78 THR HA . . 5.230 4.933 4.886 4.999 . 0 0 "[ . 1 . 2]" 1
427 1 94 LYS HB2 1 95 GLU H . . 5.030 3.252 1.881 4.264 . 0 0 "[ . 1 . 2]" 1
428 1 94 LYS HB3 1 95 GLU H . . 5.030 3.663 1.919 4.324 . 0 0 "[ . 1 . 2]" 1
429 1 5 LYS QB 1 7 PHE QD . . 4.440 3.128 2.126 4.472 0.032 6 0 "[ . 1 . 2]" 1
430 1 5 LYS QB 1 5 LYS QE . . 3.780 3.205 2.012 3.855 0.075 1 0 "[ . 1 . 2]" 1
431 1 35 VAL H 1 36 ILE HA . . 5.500 5.279 5.213 5.369 . 0 0 "[ . 1 . 2]" 1
432 1 8 LYS QB 1 9 GLY H . . 3.330 2.512 2.270 3.349 0.019 18 0 "[ . 1 . 2]" 1
433 1 95 GLU HB2 1 96 LEU H . . 3.950 2.958 2.424 3.954 0.004 1 0 "[ . 1 . 2]" 1
434 1 95 GLU HB3 1 96 LEU H . . 3.950 3.453 2.513 3.953 0.003 1 0 "[ . 1 . 2]" 1
435 1 114 VAL HB 1 115 ASN HA . . 5.330 5.235 5.113 5.345 0.015 3 0 "[ . 1 . 2]" 1
436 1 36 ILE MD 1 114 VAL HB . . 3.920 3.913 3.793 3.980 0.060 13 0 "[ . 1 . 2]" 1
437 1 114 VAL H 1 114 VAL HB . . 3.870 3.761 3.713 3.831 . 0 0 "[ . 1 . 2]" 1
438 1 114 VAL HA 1 114 VAL HB . . 2.780 2.284 2.264 2.307 . 0 0 "[ . 1 . 2]" 1
439 1 45 VAL H 1 45 VAL HB . . 3.710 2.878 2.414 3.554 . 0 0 "[ . 1 . 2]" 1
440 1 52 LYS QB 1 54 LYS H . . 5.070 4.400 4.187 4.665 . 0 0 "[ . 1 . 2]" 1
441 1 50 MET H 1 50 MET HG3 . . 4.560 3.501 2.205 4.238 . 0 0 "[ . 1 . 2]" 1
442 1 50 MET HG3 1 51 LEU H . . 5.190 4.940 4.351 5.330 0.140 7 0 "[ . 1 . 2]" 1
443 1 50 MET H 1 50 MET HG2 . . 4.560 2.938 2.274 3.407 . 0 0 "[ . 1 . 2]" 1
444 1 48 LEU MD1 1 50 MET HG2 . . 4.900 2.894 2.348 3.324 . 0 0 "[ . 1 . 2]" 1
445 1 48 LEU MD2 1 50 MET HG2 . . 4.900 3.153 2.065 3.722 . 0 0 "[ . 1 . 2]" 1
446 1 50 MET HG2 1 51 LEU H . . 5.190 4.864 4.448 5.343 0.153 14 0 "[ . 1 . 2]" 1
447 1 50 MET HG2 1 107 ALA HA . . 5.090 4.604 4.059 5.110 0.020 7 0 "[ . 1 . 2]" 1
448 1 85 PRO HB3 1 86 ILE H . . 4.100 3.878 3.761 3.958 . 0 0 "[ . 1 . 2]" 1
449 1 80 VAL MG1 1 85 PRO HB3 . . 3.950 3.097 1.951 3.878 . 0 0 "[ . 1 . 2]" 1
450 1 45 VAL HB 1 46 THR H . . 4.910 4.137 3.904 4.270 . 0 0 "[ . 1 . 2]" 1
451 1 52 LYS H 1 52 LYS QB . . 3.380 2.430 2.185 2.582 . 0 0 "[ . 1 . 2]" 1
452 1 85 PRO HB2 1 86 ILE H . . 3.710 3.275 3.151 3.339 . 0 0 "[ . 1 . 2]" 1
453 1 75 THR HA 1 75 THR MG . . 3.320 3.192 3.185 3.212 . 0 0 "[ . 1 . 2]" 1
454 1 81 LEU H 1 85 PRO HB3 . . 5.500 5.358 4.924 5.526 0.026 8 0 "[ . 1 . 2]" 1
455 1 79 PRO HA 1 85 PRO HB3 . . 5.500 5.565 5.520 5.624 0.124 6 0 "[ . 1 . 2]" 1
456 1 30 VAL H 1 30 VAL HB . . 3.810 2.088 1.933 3.688 . 0 0 "[ . 1 . 2]" 1
457 1 40 LEU H 1 41 PRO HA . . 5.300 5.208 5.131 5.240 . 0 0 "[ . 1 . 2]" 1
458 1 40 LEU QD 1 41 PRO HA . . 4.670 4.677 3.675 4.749 0.079 15 0 "[ . 1 . 2]" 1
459 1 76 SER QB 1 77 VAL H . . 3.910 3.370 3.137 3.765 . 0 0 "[ . 1 . 2]" 1
460 1 73 TYR QD 1 76 SER QB . . 5.500 5.186 4.758 5.561 0.061 19 0 "[ . 1 . 2]" 1
461 1 35 VAL HB 1 36 ILE H . . 4.130 3.175 2.818 4.158 0.028 5 0 "[ . 1 . 2]" 1
462 1 35 VAL H 1 35 VAL HB . . 3.560 2.531 2.386 2.728 . 0 0 "[ . 1 . 2]" 1
463 1 35 VAL HB 1 57 ALA MB . . 4.620 4.174 3.481 4.526 . 0 0 "[ . 1 . 2]" 1
464 1 32 GLU HA 1 35 VAL HB . . 4.150 3.518 3.195 4.168 0.018 7 0 "[ . 1 . 2]" 1
465 1 71 VAL H 1 71 VAL HB . . 3.650 2.292 2.186 3.675 0.025 15 0 "[ . 1 . 2]" 1
466 1 71 VAL HB 1 75 THR H . . 5.500 5.525 4.748 5.584 0.084 7 0 "[ . 1 . 2]" 1
467 1 117 VAL HB 1 119 SER QB . . 5.500 4.195 2.917 5.511 0.011 8 0 "[ . 1 . 2]" 1
468 1 13 SER QB 1 14 ALA MB . . 4.740 4.560 3.985 4.785 0.045 18 0 "[ . 1 . 2]" 1
469 1 31 THR H 1 34 GLU HB3 . . 5.130 4.420 2.795 5.140 0.010 13 0 "[ . 1 . 2]" 1
470 1 84 GLN H 1 84 GLN HB3 . . 3.740 3.696 3.635 3.737 . 0 0 "[ . 1 . 2]" 1
471 1 81 LEU H 1 84 GLN HB2 . . 4.870 3.649 3.384 3.892 . 0 0 "[ . 1 . 2]" 1
472 1 84 GLN H 1 84 GLN HB2 . . 3.740 2.486 2.384 2.560 . 0 0 "[ . 1 . 2]" 1
473 1 4 SER QB 1 5 LYS QB . . 5.320 4.784 4.013 5.350 0.030 2 0 "[ . 1 . 2]" 1
474 1 4 SER QB 1 5 LYS QD . . 5.500 4.542 2.505 5.543 0.043 5 0 "[ . 1 . 2]" 1
475 1 31 THR H 1 34 GLU HB2 . . 5.130 3.365 2.242 3.884 . 0 0 "[ . 1 . 2]" 1
476 1 106 ARG QB 1 107 ALA H . . 4.810 2.786 2.558 2.987 . 0 0 "[ . 1 . 2]" 1
477 1 40 LEU H 1 41 PRO HB3 . . 5.500 5.449 5.359 5.500 . 0 0 "[ . 1 . 2]" 1
478 1 41 PRO HB2 1 42 PHE QD . . 4.830 4.150 3.863 4.648 . 0 0 "[ . 1 . 2]" 1
479 1 40 LEU H 1 41 PRO HB2 . . 5.500 5.725 5.710 5.741 0.241 20 0 "[ . 1 . 2]" 1
480 1 41 PRO HB2 1 42 PHE QE . . 5.500 4.390 3.996 5.061 . 0 0 "[ . 1 . 2]" 1
481 1 79 PRO HB3 1 80 VAL H . . 4.570 3.826 3.691 3.983 . 0 0 "[ . 1 . 2]" 1
482 1 113 ALA MB 1 114 VAL HA . . 3.950 3.981 3.959 4.007 0.057 7 0 "[ . 1 . 2]" 1
483 1 114 VAL HA 1 114 VAL MG1 . . 3.550 2.526 2.495 2.546 . 0 0 "[ . 1 . 2]" 1
484 1 36 ILE MD 1 114 VAL HA . . 5.360 5.200 5.080 5.283 . 0 0 "[ . 1 . 2]" 1
485 1 28 ILE HA 1 28 ILE MG . . 3.240 3.226 3.179 3.243 0.003 3 0 "[ . 1 . 2]" 1
486 1 37 SER QB 1 38 LEU H . . 4.090 2.854 2.668 3.021 . 0 0 "[ . 1 . 2]" 1
487 1 36 ILE H 1 37 SER QB . . 4.770 4.134 3.952 4.458 . 0 0 "[ . 1 . 2]" 1
488 1 37 SER H 1 37 SER QB . . 3.330 2.235 2.186 2.359 . 0 0 "[ . 1 . 2]" 1
489 1 37 SER QB 1 40 LEU QD . . 3.810 3.592 3.445 3.818 0.008 1 0 "[ . 1 . 2]" 1
490 1 44 LYS QD 1 46 THR HA . . 5.470 4.788 4.547 5.171 . 0 0 "[ . 1 . 2]" 1
491 1 80 VAL MG2 1 85 PRO HA . . 3.880 3.026 2.355 3.771 . 0 0 "[ . 1 . 2]" 1
492 1 80 VAL MG1 1 85 PRO HA . . 3.880 3.074 2.464 3.530 . 0 0 "[ . 1 . 2]" 1
493 1 79 PRO HA 1 88 ILE MG . . 5.500 5.268 5.161 5.385 . 0 0 "[ . 1 . 2]" 1
494 1 79 PRO HA 1 80 VAL H . . 3.220 2.279 2.218 2.342 . 0 0 "[ . 1 . 2]" 1
495 1 64 GLU H 1 64 GLU HB3 . . 4.170 2.381 2.292 2.662 . 0 0 "[ . 1 . 2]" 1
496 1 19 ARG QD 1 64 GLU HB3 . . 5.250 4.740 4.174 5.251 0.001 18 0 "[ . 1 . 2]" 1
497 1 64 GLU H 1 64 GLU HB2 . . 4.170 2.537 2.278 2.639 . 0 0 "[ . 1 . 2]" 1
498 1 63 THR HA 1 64 GLU HB2 . . 4.790 4.501 4.280 4.588 . 0 0 "[ . 1 . 2]" 1
499 1 19 ARG QD 1 64 GLU HB2 . . 4.980 3.611 2.924 4.232 . 0 0 "[ . 1 . 2]" 1
500 1 64 GLU HB2 1 65 GLU H . . 4.260 4.092 3.869 4.204 . 0 0 "[ . 1 . 2]" 1
501 1 27 PRO HA 1 28 ILE H . . 3.240 2.402 2.325 2.621 . 0 0 "[ . 1 . 2]" 1
502 1 73 TYR HA 1 74 TYR HA . . 5.190 4.715 4.655 4.749 . 0 0 "[ . 1 . 2]" 1
503 1 64 GLU HB3 1 68 ASN H . . 5.500 5.536 5.520 5.570 0.070 5 0 "[ . 1 . 2]" 1
504 1 65 GLU HB2 1 68 ASN H . . 5.500 5.276 5.215 5.323 . 0 0 "[ . 1 . 2]" 1
505 1 27 PRO HA 1 28 ILE MG . . 3.980 3.484 3.276 3.611 . 0 0 "[ . 1 . 2]" 1
506 1 37 SER HA 1 40 LEU H . . 4.320 3.469 3.288 3.564 . 0 0 "[ . 1 . 2]" 1
507 1 25 LYS QB 1 87 TYR H . . 4.260 2.781 2.432 3.341 . 0 0 "[ . 1 . 2]" 1
508 1 65 GLU HB3 1 68 ASN H . . 5.500 5.494 5.458 5.512 0.012 2 0 "[ . 1 . 2]" 1
509 1 65 GLU HB3 1 66 ALA H . . 4.100 4.033 3.974 4.064 . 0 0 "[ . 1 . 2]" 1
510 1 65 GLU HB2 1 66 ALA H . . 4.100 3.970 3.953 3.992 . 0 0 "[ . 1 . 2]" 1
511 1 52 LYS H 1 52 LYS QD . . 4.440 3.701 3.114 4.418 . 0 0 "[ . 1 . 2]" 1
512 1 52 LYS HA 1 52 LYS QD . . 3.370 1.999 1.926 2.109 . 0 0 "[ . 1 . 2]" 1
513 1 28 ILE HA 1 52 LYS QD . . 4.280 3.387 2.874 3.940 . 0 0 "[ . 1 . 2]" 1
514 1 52 LYS QD 1 52 LYS QE . . 2.450 2.019 2.006 2.030 . 0 0 "[ . 1 . 2]" 1
515 1 44 LYS HA 1 44 LYS QD . . 3.400 2.379 1.998 3.142 . 0 0 "[ . 1 . 2]" 1
516 1 5 LYS H 1 5 LYS QD . . 4.620 3.336 2.119 4.153 . 0 0 "[ . 1 . 2]" 1
517 1 8 LYS QD 1 9 GLY H . . 5.500 4.591 3.918 5.249 . 0 0 "[ . 1 . 2]" 1
518 1 44 LYS H 1 44 LYS QD . . 4.640 4.378 4.233 4.658 0.018 19 0 "[ . 1 . 2]" 1
519 1 5 LYS HA 1 5 LYS QD . . 3.380 2.300 2.049 3.548 0.168 5 0 "[ . 1 . 2]" 1
520 1 108 GLN QB 1 109 ALA H . . 3.670 2.997 2.802 3.312 . 0 0 "[ . 1 . 2]" 1
521 1 112 GLN H 1 112 GLN QB . . 3.890 2.395 2.285 2.466 . 0 0 "[ . 1 . 2]" 1
522 1 112 GLN QB 1 113 ALA H . . 4.710 3.069 2.880 3.245 . 0 0 "[ . 1 . 2]" 1
523 1 112 GLN HA 1 112 GLN QB . . 2.590 2.371 2.337 2.417 . 0 0 "[ . 1 . 2]" 1
524 1 19 ARG H 1 19 ARG QG . . 4.410 2.382 1.649 3.250 . 0 0 "[ . 1 . 2]" 1
525 1 32 GLU HA 1 110 ALA MB . . 4.740 4.259 4.025 4.802 0.062 14 0 "[ . 1 . 2]" 1
526 1 19 ARG QG 1 63 THR HA . . 5.190 4.096 3.291 5.127 . 0 0 "[ . 1 . 2]" 1
527 1 20 VAL HA 1 59 ILE HB . . 5.500 5.481 5.354 5.530 0.030 4 0 "[ . 1 . 2]" 1
528 1 31 THR MG 1 32 GLU HA . . 5.500 5.625 5.588 5.649 0.149 1 0 "[ . 1 . 2]" 1
529 1 28 ILE HG13 1 29 ASP H . . 4.030 3.808 2.979 4.164 0.134 5 0 "[ . 1 . 2]" 1
530 1 28 ILE HG12 1 29 ASP H . . 4.030 3.553 3.190 4.154 0.124 9 0 "[ . 1 . 2]" 1
531 1 28 ILE HA 1 28 ILE HG12 . . 3.750 3.601 3.423 3.840 0.090 9 0 "[ . 1 . 2]" 1
532 1 21 ILE H 1 21 ILE HG12 . . 5.170 4.759 4.617 4.853 . 0 0 "[ . 1 . 2]" 1
533 1 21 ILE HG12 1 90 PHE QD . . 4.660 4.406 4.088 4.620 . 0 0 "[ . 1 . 2]" 1
534 1 21 ILE H 1 21 ILE HG13 . . 4.350 4.196 4.085 4.271 . 0 0 "[ . 1 . 2]" 1
535 1 21 ILE HG13 1 91 SER H . . 5.180 4.331 3.942 4.666 . 0 0 "[ . 1 . 2]" 1
536 1 21 ILE HG13 1 67 ALA HA . . 5.500 4.927 4.642 5.281 . 0 0 "[ . 1 . 2]" 1
537 1 79 PRO HD3 1 86 ILE HG12 . . 5.500 5.655 5.608 5.702 0.202 15 0 "[ . 1 . 2]" 1
538 1 21 ILE HG13 1 22 HIS H . . 5.240 3.587 3.471 3.781 . 0 0 "[ . 1 . 2]" 1
539 1 106 ARG HA 1 106 ARG HG3 . . 3.660 3.480 3.208 3.690 0.030 19 0 "[ . 1 . 2]" 1
540 1 21 ILE HG12 1 88 ILE MD . . 4.360 2.717 2.531 3.133 . 0 0 "[ . 1 . 2]" 1
541 1 88 ILE H 1 88 ILE HG13 . . 4.980 4.832 4.773 4.904 . 0 0 "[ . 1 . 2]" 1
542 1 74 TYR QD 1 88 ILE HG13 . . 5.020 4.963 4.876 5.050 0.030 17 0 "[ . 1 . 2]" 1
543 1 88 ILE HG13 1 89 GLN H . . 4.520 2.613 2.363 2.938 . 0 0 "[ . 1 . 2]" 1
544 1 88 ILE HG12 1 89 GLN H . . 4.520 2.556 2.199 2.732 . 0 0 "[ . 1 . 2]" 1
545 1 88 ILE H 1 88 ILE HG12 . . 4.980 4.315 4.204 4.509 . 0 0 "[ . 1 . 2]" 1
546 1 74 TYR QD 1 88 ILE HG12 . . 5.020 4.557 4.423 4.792 . 0 0 "[ . 1 . 2]" 1
547 1 78 THR MG 1 85 PRO HG3 . . 4.430 4.426 4.349 4.452 0.022 3 0 "[ . 1 . 2]" 1
548 1 27 PRO HG2 1 30 VAL H . . 4.590 4.051 3.653 4.696 0.106 1 0 "[ . 1 . 2]" 1
549 1 85 PRO HG2 1 86 ILE H . . 5.020 4.795 4.721 4.865 . 0 0 "[ . 1 . 2]" 1
550 1 84 GLN HA 1 85 PRO HG2 . . 4.230 4.223 4.171 4.273 0.043 7 0 "[ . 1 . 2]" 1
551 1 17 PRO HG2 1 18 SER HA . . 5.120 4.161 3.742 5.128 0.008 19 0 "[ . 1 . 2]" 1
552 1 26 LEU HA 1 27 PRO HG3 . . 4.610 4.397 3.988 4.562 . 0 0 "[ . 1 . 2]" 1
553 1 48 LEU HA 1 48 LEU HG . . 3.990 3.376 3.169 3.905 . 0 0 "[ . 1 . 2]" 1
554 1 49 LEU HG 1 58 PHE H . . 5.500 3.974 3.682 4.461 . 0 0 "[ . 1 . 2]" 1
555 1 49 LEU HG 1 50 MET H . . 4.720 3.444 2.714 3.946 . 0 0 "[ . 1 . 2]" 1
556 1 27 PRO HG2 1 29 ASP H . . 5.500 5.431 4.981 5.618 0.118 5 0 "[ . 1 . 2]" 1
557 1 49 LEU H 1 59 ILE HG12 . . 5.500 5.192 5.069 5.371 . 0 0 "[ . 1 . 2]" 1
558 1 8 LYS HA 1 17 PRO HG2 . . 3.870 3.560 2.262 3.955 0.085 7 0 "[ . 1 . 2]" 1
559 1 9 GLY H 1 17 PRO HG2 . . 5.270 4.443 3.038 4.867 . 0 0 "[ . 1 . 2]" 1
560 1 8 LYS HA 1 17 PRO HG3 . . 3.570 2.427 2.198 3.577 0.007 9 0 "[ . 1 . 2]" 1
561 1 59 ILE H 1 59 ILE HG12 . . 4.130 2.695 2.646 2.763 . 0 0 "[ . 1 . 2]" 1
562 1 59 ILE HG12 1 60 GLU H . . 5.340 5.153 5.054 5.331 . 0 0 "[ . 1 . 2]" 1
563 1 58 PHE HA 1 59 ILE HG12 . . 5.320 3.381 3.292 3.466 . 0 0 "[ . 1 . 2]" 1
564 1 23 ILE MD 1 59 ILE HG12 . . 3.650 3.417 3.136 3.582 . 0 0 "[ . 1 . 2]" 1
565 1 65 GLU HA 1 67 ALA H . . 4.800 4.353 4.277 4.492 . 0 0 "[ . 1 . 2]" 1
566 1 81 LEU H 1 81 LEU HG . . 4.740 2.918 2.504 4.458 . 0 0 "[ . 1 . 2]" 1
567 1 19 ARG QG 1 64 GLU HA . . 3.660 2.527 2.069 3.757 0.097 19 0 "[ . 1 . 2]" 1
568 1 63 THR HA 1 64 GLU HA . . 4.680 4.362 4.317 4.390 . 0 0 "[ . 1 . 2]" 1
569 1 111 LEU H 1 111 LEU HG . . 4.440 2.647 2.454 4.382 . 0 0 "[ . 1 . 2]" 1
570 1 111 LEU HA 1 111 LEU HG . . 3.280 2.790 2.582 2.861 . 0 0 "[ . 1 . 2]" 1
571 1 96 LEU H 1 96 LEU HG . . 4.600 3.889 3.754 4.185 . 0 0 "[ . 1 . 2]" 1
572 1 75 THR MG 1 76 SER HA . . 3.920 3.903 3.777 3.947 0.027 2 0 "[ . 1 . 2]" 1
573 1 36 ILE HG12 1 48 LEU MD2 . . 5.770 3.025 2.155 3.551 . 0 0 "[ . 1 . 2]" 1
574 1 16 VAL HA 1 17 PRO HG3 . . 4.580 4.475 4.303 4.572 . 0 0 "[ . 1 . 2]" 1
575 1 73 TYR H 1 74 TYR HA . . 5.170 4.954 4.866 5.122 . 0 0 "[ . 1 . 2]" 1
576 1 74 TYR HA 1 75 THR HA . . 5.240 4.670 4.617 4.716 . 0 0 "[ . 1 . 2]" 1
577 1 38 LEU MD1 1 39 GLY H . . 4.640 3.180 2.397 3.617 . 0 0 "[ . 1 . 2]" 1
578 1 73 TYR QE 1 74 TYR HA . . 5.210 5.004 4.477 5.221 0.011 15 0 "[ . 1 . 2]" 1
579 1 20 VAL H 1 21 ILE HA . . 5.070 5.110 4.935 5.198 0.128 16 0 "[ . 1 . 2]" 1
580 1 70 MET HA 1 88 ILE MD . . 5.500 5.111 4.964 5.520 0.020 16 0 "[ . 1 . 2]" 1
581 1 79 PRO HG2 1 86 ILE MD . . 4.940 2.428 2.377 2.469 . 0 0 "[ . 1 . 2]" 1
582 1 37 SER HA 1 40 LEU HG . . 3.600 3.571 3.413 3.704 0.104 11 0 "[ . 1 . 2]" 1
583 1 38 LEU H 1 38 LEU MD1 . . 3.660 3.648 2.964 3.760 0.100 11 0 "[ . 1 . 2]" 1
584 1 38 LEU MD1 1 74 TYR QE . . 4.760 2.643 2.368 3.043 . 0 0 "[ . 1 . 2]" 1
585 1 26 LEU MD1 1 57 ALA H . . 4.950 4.201 3.914 5.012 0.062 19 0 "[ . 1 . 2]" 1
586 1 26 LEU H 1 26 LEU MD1 . . 4.450 3.993 3.892 4.270 . 0 0 "[ . 1 . 2]" 1
587 1 26 LEU MD1 1 55 ASN HA . . 5.500 5.100 3.828 5.484 . 0 0 "[ . 1 . 2]" 1
588 1 26 LEU MD1 1 27 PRO HD2 . . 4.250 2.189 2.062 2.469 . 0 0 "[ . 1 . 2]" 1
589 1 42 PHE QD 1 70 MET HA . . 4.260 2.935 2.807 3.172 . 0 0 "[ . 1 . 2]" 1
590 1 67 ALA HA 1 70 MET HA . . 5.500 5.321 5.000 5.435 . 0 0 "[ . 1 . 2]" 1
591 1 21 ILE MD 1 70 MET HA . . 5.500 5.494 5.360 5.535 0.035 16 0 "[ . 1 . 2]" 1
592 1 39 GLY H 1 40 LEU HG . . 5.230 4.321 4.088 5.401 0.171 11 0 "[ . 1 . 2]" 1
593 1 40 LEU H 1 40 LEU HG . . 3.730 3.261 3.141 3.737 0.007 11 0 "[ . 1 . 2]" 1
594 1 40 LEU HG 1 41 PRO HD3 . . 5.000 4.843 2.459 5.019 0.019 6 0 "[ . 1 . 2]" 1
595 1 40 LEU HA 1 40 LEU HG . . 3.870 2.628 2.549 3.540 . 0 0 "[ . 1 . 2]" 1
596 1 79 PRO HG3 1 88 ILE MD . . 4.630 2.929 2.295 3.090 . 0 0 "[ . 1 . 2]" 1
597 1 35 VAL HA 1 81 LEU MD2 . . 3.920 3.269 2.203 3.705 . 0 0 "[ . 1 . 2]" 1
598 1 117 VAL HB 1 119 SER HA . . 5.500 5.005 3.767 5.539 0.039 12 0 "[ . 1 . 2]" 1
599 1 51 LEU MD1 1 58 PHE QD . . 4.200 2.295 1.919 2.928 . 0 0 "[ . 1 . 2]" 1
600 1 51 LEU MD1 1 54 LYS QE . . 4.520 3.806 1.772 4.584 0.064 13 0 "[ . 1 . 2]" 1
601 1 25 LYS H 1 25 LYS QG . . 4.180 2.829 2.713 2.937 . 0 0 "[ . 1 . 2]" 1
602 1 25 LYS QG 1 87 TYR QE . . 3.940 3.205 2.329 3.939 . 0 0 "[ . 1 . 2]" 1
603 1 25 LYS HA 1 25 LYS QG . . 3.410 2.828 2.215 2.977 . 0 0 "[ . 1 . 2]" 1
604 1 37 SER H 1 40 LEU QD . . 4.110 4.034 3.936 4.119 0.009 11 0 "[ . 1 . 2]" 1
605 1 40 LEU H 1 40 LEU QD . . 3.760 3.496 3.450 3.629 . 0 0 "[ . 1 . 2]" 1
606 1 40 LEU QD 1 41 PRO HD3 . . 3.900 3.823 3.164 3.902 0.002 12 0 "[ . 1 . 2]" 1
607 1 13 SER HA 1 14 ALA MB . . 4.250 3.956 3.829 4.081 . 0 0 "[ . 1 . 2]" 1
608 1 106 ARG HA 1 109 ALA MB . . 3.040 2.664 2.421 3.055 0.015 14 0 "[ . 1 . 2]" 1
609 1 52 LYS H 1 52 LYS HG3 . . 4.160 3.747 3.560 4.280 0.120 14 0 "[ . 1 . 2]" 1
610 1 52 LYS HA 1 52 LYS HG3 . . 3.710 3.693 3.620 3.752 0.042 17 0 "[ . 1 . 2]" 1
611 1 52 LYS H 1 52 LYS HG2 . . 4.160 2.470 2.035 3.266 . 0 0 "[ . 1 . 2]" 1
612 1 52 LYS HA 1 52 LYS HG2 . . 3.710 2.882 2.538 3.165 . 0 0 "[ . 1 . 2]" 1
613 1 49 LEU MD1 1 50 MET H . . 5.280 2.214 1.751 2.794 . 0 0 "[ . 1 . 2]" 1
614 1 49 LEU HA 1 49 LEU MD1 . . 4.510 2.224 2.112 2.311 . 0 0 "[ . 1 . 2]" 1
615 1 49 LEU MD1 1 98 THR HB . . 5.300 3.680 3.254 4.355 . 0 0 "[ . 1 . 2]" 1
616 1 107 ALA MB 1 108 GLN HA . . 4.040 3.942 3.895 4.002 . 0 0 "[ . 1 . 2]" 1
617 1 108 GLN HA 1 111 LEU H . . 5.000 3.621 3.232 3.887 . 0 0 "[ . 1 . 2]" 1
618 1 19 ARG HA 1 67 ALA H . . 5.190 4.524 4.182 4.884 . 0 0 "[ . 1 . 2]" 1
619 1 44 LYS H 1 44 LYS HG3 . . 4.680 4.274 4.170 4.428 . 0 0 "[ . 1 . 2]" 1
620 1 44 LYS HG3 1 62 ASN HB3 . . 3.930 2.785 2.461 3.279 . 0 0 "[ . 1 . 2]" 1
621 1 44 LYS HA 1 44 LYS HG2 . . 4.100 3.879 3.836 3.931 . 0 0 "[ . 1 . 2]" 1
622 1 44 LYS H 1 44 LYS HG2 . . 4.680 4.500 4.458 4.553 . 0 0 "[ . 1 . 2]" 1
623 1 19 ARG HA 1 19 ARG QG . . 3.690 2.569 2.121 3.530 . 0 0 "[ . 1 . 2]" 1
624 1 54 LYS H 1 54 LYS QG . . 4.700 3.557 2.422 4.168 . 0 0 "[ . 1 . 2]" 1
625 1 54 LYS QG 1 56 GLN H . . 5.160 2.926 2.077 3.872 . 0 0 "[ . 1 . 2]" 1
626 1 26 LEU MD2 1 57 ALA H . . 4.950 4.018 3.719 4.331 . 0 0 "[ . 1 . 2]" 1
627 1 26 LEU H 1 26 LEU MD2 . . 4.450 4.135 3.691 4.234 . 0 0 "[ . 1 . 2]" 1
628 1 26 LEU HA 1 26 LEU MD2 . . 4.010 3.607 1.991 3.904 . 0 0 "[ . 1 . 2]" 1
629 1 26 LEU MD2 1 27 PRO HD2 . . 4.250 3.575 2.034 3.932 . 0 0 "[ . 1 . 2]" 1
630 1 26 LEU MD2 1 50 MET ME . . 4.130 2.588 2.039 3.876 . 0 0 "[ . 1 . 2]" 1
631 1 8 LYS QG 1 9 GLY QA . . 5.500 4.149 3.169 5.548 0.048 18 0 "[ . 1 . 2]" 1
632 1 96 LEU H 1 96 LEU MD2 . . 4.450 2.646 2.360 4.139 . 0 0 "[ . 1 . 2]" 1
633 1 60 GLU HB2 1 96 LEU MD2 . . 4.290 2.079 1.976 3.031 . 0 0 "[ . 1 . 2]" 1
634 1 49 LEU H 1 96 LEU MD2 . . 4.680 4.311 2.177 4.535 . 0 0 "[ . 1 . 2]" 1
635 1 58 PHE HA 1 96 LEU MD2 . . 4.660 4.141 3.845 4.385 . 0 0 "[ . 1 . 2]" 1
636 1 95 GLU HA 1 96 LEU MD2 . . 5.500 3.426 3.190 5.511 0.011 11 0 "[ . 1 . 2]" 1
637 1 47 ASN HB3 1 96 LEU MD2 . . 4.210 3.618 2.413 3.863 . 0 0 "[ . 1 . 2]" 1
638 1 58 PHE HB2 1 96 LEU MD2 . . 5.220 3.517 2.737 3.854 . 0 0 "[ . 1 . 2]" 1
639 1 60 GLU HB3 1 96 LEU MD2 . . 5.030 3.610 3.537 3.749 . 0 0 "[ . 1 . 2]" 1
640 1 57 ALA H 1 57 ALA MB . . 3.670 2.692 2.672 2.709 . 0 0 "[ . 1 . 2]" 1
641 1 51 LEU H 1 57 ALA MB . . 3.930 3.447 3.060 3.955 0.025 9 0 "[ . 1 . 2]" 1
642 1 57 ALA MB 1 58 PHE QD . . 4.960 4.680 4.481 4.877 . 0 0 "[ . 1 . 2]" 1
643 1 57 ALA MB 1 58 PHE HA . . 4.530 3.957 3.925 3.994 . 0 0 "[ . 1 . 2]" 1
644 1 87 TYR HA 1 88 ILE HB . . 4.950 4.507 4.213 4.611 . 0 0 "[ . 1 . 2]" 1
645 1 104 GLN HA 1 107 ALA MB . . 3.160 2.627 2.162 3.167 0.007 9 0 "[ . 1 . 2]" 1
646 1 38 LEU HA 1 42 PHE QE . . 5.500 5.179 4.724 5.502 0.002 10 0 "[ . 1 . 2]" 1
647 1 35 VAL MG2 1 36 ILE H . . 3.890 3.852 3.622 3.934 0.044 3 0 "[ . 1 . 2]" 1
648 1 35 VAL H 1 35 VAL MG2 . . 3.900 2.318 1.759 3.732 . 0 0 "[ . 1 . 2]" 1
649 1 32 GLU HA 1 35 VAL MG2 . . 4.650 3.282 2.319 4.539 . 0 0 "[ . 1 . 2]" 1
650 1 35 VAL HA 1 35 VAL MG2 . . 3.210 2.392 2.248 2.544 . 0 0 "[ . 1 . 2]" 1
651 1 49 LEU H 1 96 LEU MD1 . . 4.680 2.656 2.453 4.378 . 0 0 "[ . 1 . 2]" 1
652 1 96 LEU H 1 96 LEU MD1 . . 4.450 4.077 2.740 4.220 . 0 0 "[ . 1 . 2]" 1
653 1 47 ASN HB3 1 96 LEU MD1 . . 4.210 3.112 2.941 3.817 . 0 0 "[ . 1 . 2]" 1
654 1 58 PHE HB2 1 96 LEU MD1 . . 5.220 2.612 2.354 3.437 . 0 0 "[ . 1 . 2]" 1
655 1 47 ASN HB2 1 96 LEU MD1 . . 4.160 4.130 3.547 4.233 0.073 2 0 "[ . 1 . 2]" 1
656 1 60 GLU HB2 1 96 LEU MD1 . . 4.290 4.037 1.970 4.293 0.003 4 0 "[ . 1 . 2]" 1
657 1 38 LEU HA 1 38 LEU MD2 . . 4.250 4.059 4.036 4.081 . 0 0 "[ . 1 . 2]" 1
658 1 36 ILE MD 1 111 LEU HA . . 3.270 2.766 2.030 3.012 . 0 0 "[ . 1 . 2]" 1
659 1 111 LEU HA 1 114 VAL HB . . 5.040 5.057 5.000 5.105 0.065 8 0 "[ . 1 . 2]" 1
660 1 35 VAL MG2 1 37 SER H . . 5.500 5.238 5.033 5.394 . 0 0 "[ . 1 . 2]" 1
661 1 82 ARG HA 1 84 GLN H . . 4.680 4.473 4.336 4.593 . 0 0 "[ . 1 . 2]" 1
662 1 111 LEU HA 1 111 LEU MD1 . . 4.150 3.782 2.796 3.858 . 0 0 "[ . 1 . 2]" 1
663 1 5 LYS HA 1 5 LYS QB . . 2.550 2.340 2.165 2.427 . 0 0 "[ . 1 . 2]" 1
664 1 24 ARG HA 1 25 LYS HA . . 4.590 4.445 4.372 4.539 . 0 0 "[ . 1 . 2]" 1
665 1 71 VAL MG1 1 90 PHE H . . 5.110 3.408 3.100 3.726 . 0 0 "[ . 1 . 2]" 1
666 1 71 VAL H 1 71 VAL MG1 . . 3.510 3.559 1.920 3.659 0.149 5 0 "[ . 1 . 2]" 1
667 1 71 VAL MG1 1 90 PHE QE . . 3.830 2.621 2.550 2.737 . 0 0 "[ . 1 . 2]" 1
668 1 71 VAL HA 1 71 VAL MG1 . . 3.390 2.484 2.457 2.625 . 0 0 "[ . 1 . 2]" 1
669 1 51 LEU MD2 1 58 PHE QD . . 4.200 3.543 3.117 4.212 0.012 7 0 "[ . 1 . 2]" 1
670 1 30 VAL MG2 1 31 THR H . . 4.120 2.980 2.000 3.463 . 0 0 "[ . 1 . 2]" 1
671 1 30 VAL H 1 30 VAL MG2 . . 3.720 3.084 2.592 3.629 . 0 0 "[ . 1 . 2]" 1
672 1 118 GLN HA 1 118 GLN QG . . 3.340 3.126 2.374 3.443 0.103 2 0 "[ . 1 . 2]" 1
673 1 46 THR MG 1 62 ASN HD22 . . 5.500 5.355 4.966 5.529 0.029 12 0 "[ . 1 . 2]" 1
674 1 46 THR MG 1 62 ASN H . . 4.150 3.448 3.186 3.794 . 0 0 "[ . 1 . 2]" 1
675 1 46 THR MG 1 61 MET HA . . 4.250 3.863 3.457 4.256 0.006 18 0 "[ . 1 . 2]" 1
676 1 46 THR MG 1 62 ASN HB2 . . 3.020 2.597 2.142 2.841 . 0 0 "[ . 1 . 2]" 1
677 1 35 VAL MG1 1 36 ILE H . . 3.890 3.507 2.278 3.923 0.033 17 0 "[ . 1 . 2]" 1
678 1 35 VAL MG1 1 37 SER H . . 5.500 5.046 4.185 5.388 . 0 0 "[ . 1 . 2]" 1
679 1 35 VAL H 1 35 VAL MG1 . . 3.900 3.346 1.720 3.758 . 0 0 "[ . 1 . 2]" 1
680 1 32 GLU HA 1 35 VAL MG1 . . 4.650 4.108 2.080 4.672 0.022 2 0 "[ . 1 . 2]" 1
681 1 35 VAL HA 1 35 VAL MG1 . . 3.210 2.519 2.243 3.226 0.016 7 0 "[ . 1 . 2]" 1
682 1 58 PHE HA 1 59 ILE MG . . 4.890 4.256 4.158 4.370 . 0 0 "[ . 1 . 2]" 1
683 1 58 PHE HA 1 59 ILE HG13 . . 5.300 4.046 3.892 4.120 . 0 0 "[ . 1 . 2]" 1
684 1 46 THR H 1 46 THR MG . . 3.140 2.387 2.247 2.492 . 0 0 "[ . 1 . 2]" 1
685 1 69 THR H 1 69 THR MG . . 3.810 3.752 3.743 3.761 . 0 0 "[ . 1 . 2]" 1
686 1 69 THR MG 1 73 TYR H . . 4.020 4.060 4.035 4.082 0.062 16 0 "[ . 1 . 2]" 1
687 1 69 THR MG 1 70 MET H . . 3.650 3.708 3.690 3.722 0.072 3 0 "[ . 1 . 2]" 1
688 1 42 PHE QD 1 69 THR MG . . 2.850 2.220 2.125 2.287 . 0 0 "[ . 1 . 2]" 1
689 1 42 PHE QE 1 69 THR MG . . 3.170 2.768 2.393 2.869 . 0 0 "[ . 1 . 2]" 1
690 1 69 THR MG 1 73 TYR QD . . 4.970 4.261 3.769 5.036 0.066 17 0 "[ . 1 . 2]" 1
691 1 69 THR HA 1 69 THR MG . . 2.640 2.287 2.271 2.320 . 0 0 "[ . 1 . 2]" 1
692 1 42 PHE HB3 1 69 THR MG . . 4.180 3.959 3.832 4.098 . 0 0 "[ . 1 . 2]" 1
693 1 66 ALA HA 1 70 MET H . . 4.730 4.133 4.012 4.328 . 0 0 "[ . 1 . 2]" 1
694 1 63 THR H 1 66 ALA HA . . 5.500 5.600 5.519 5.653 0.153 14 0 "[ . 1 . 2]" 1
695 1 45 VAL H 1 45 VAL MG1 . . 3.940 3.141 2.089 3.822 . 0 0 "[ . 1 . 2]" 1
696 1 38 LEU MD2 1 39 GLY H . . 4.640 4.287 4.166 4.707 0.067 7 0 "[ . 1 . 2]" 1
697 1 20 VAL MG1 1 58 PHE QD . . 5.500 2.868 2.583 3.107 . 0 0 "[ . 1 . 2]" 1
698 1 20 VAL HA 1 20 VAL MG1 . . 3.630 2.266 2.220 2.318 . 0 0 "[ . 1 . 2]" 1
699 1 44 LYS HA 1 45 VAL HB . . 5.120 4.669 4.422 4.975 . 0 0 "[ . 1 . 2]" 1
700 1 40 LEU QD 1 44 LYS HA . . 4.660 3.236 2.938 3.762 . 0 0 "[ . 1 . 2]" 1
701 1 63 THR MG 1 64 GLU H . . 4.280 4.024 3.928 4.065 . 0 0 "[ . 1 . 2]" 1
702 1 63 THR MG 1 65 GLU H . . 4.860 4.297 4.228 4.352 . 0 0 "[ . 1 . 2]" 1
703 1 63 THR MG 1 66 ALA H . . 4.240 3.987 3.921 4.056 . 0 0 "[ . 1 . 2]" 1
704 1 63 THR H 1 63 THR MG . . 3.110 2.544 2.477 2.609 . 0 0 "[ . 1 . 2]" 1
705 1 19 ARG QD 1 63 THR MG . . 4.660 4.558 4.370 4.727 0.067 19 0 "[ . 1 . 2]" 1
706 1 62 ASN HB3 1 63 THR MG . . 3.710 2.652 2.440 2.815 . 0 0 "[ . 1 . 2]" 1
707 1 62 ASN HB2 1 63 THR MG . . 4.290 4.109 3.942 4.207 . 0 0 "[ . 1 . 2]" 1
708 1 95 GLU HA 1 96 LEU MD1 . . 5.500 5.439 3.256 5.598 0.098 8 0 "[ . 1 . 2]" 1
709 1 32 GLU HG3 1 107 ALA HA . . 4.400 3.474 2.156 4.426 0.026 5 0 "[ . 1 . 2]" 1
710 1 31 THR MG 1 32 GLU H . . 3.780 3.819 3.751 3.866 0.086 17 0 "[ . 1 . 2]" 1
711 1 31 THR MG 1 33 GLY H . . 4.420 4.113 3.959 4.434 0.014 3 0 "[ . 1 . 2]" 1
712 1 31 THR H 1 31 THR MG . . 3.050 2.025 1.900 2.451 . 0 0 "[ . 1 . 2]" 1
713 1 31 THR MG 1 34 GLU H . . 4.810 4.294 3.936 4.604 . 0 0 "[ . 1 . 2]" 1
714 1 21 ILE HB 1 60 GLU HA . . 5.500 4.925 4.493 5.335 . 0 0 "[ . 1 . 2]" 1
715 1 60 GLU HA 1 61 MET ME . . 5.500 5.483 5.176 5.655 0.155 12 0 "[ . 1 . 2]" 1
716 1 49 LEU HA 1 49 LEU MD2 . . 4.510 3.893 3.846 3.927 . 0 0 "[ . 1 . 2]" 1
717 1 26 LEU QB 1 55 ASN HA . . 4.430 2.644 2.453 2.908 . 0 0 "[ . 1 . 2]" 1
718 1 114 VAL H 1 114 VAL MG1 . . 3.690 2.194 2.110 2.305 . 0 0 "[ . 1 . 2]" 1
719 1 111 LEU HA 1 114 VAL MG1 . . 3.010 3.030 3.014 3.051 0.041 14 0 "[ . 1 . 2]" 1
720 1 72 ASN H 1 75 THR MG . . 4.730 4.635 4.574 4.721 . 0 0 "[ . 1 . 2]" 1
721 1 73 TYR H 1 75 THR MG . . 4.940 4.224 4.043 4.308 . 0 0 "[ . 1 . 2]" 1
722 1 74 TYR H 1 75 THR MG . . 4.530 4.393 4.195 4.547 0.017 17 0 "[ . 1 . 2]" 1
723 1 75 THR H 1 75 THR MG . . 3.100 2.245 1.890 2.316 . 0 0 "[ . 1 . 2]" 1
724 1 75 THR MG 1 76 SER H . . 4.850 2.877 2.544 3.002 . 0 0 "[ . 1 . 2]" 1
725 1 72 ASN HA 1 75 THR MG . . 2.850 2.469 2.374 2.604 . 0 0 "[ . 1 . 2]" 1
726 1 71 VAL HA 1 75 THR MG . . 5.000 5.035 5.015 5.052 0.052 16 0 "[ . 1 . 2]" 1
727 1 78 THR H 1 78 THR MG . . 3.720 3.821 3.735 3.878 0.158 17 0 "[ . 1 . 2]" 1
728 1 78 THR MG 1 86 ILE H . . 3.770 2.282 2.090 2.582 . 0 0 "[ . 1 . 2]" 1
729 1 78 THR MG 1 87 TYR QE . . 4.560 4.426 4.140 4.561 0.001 20 0 "[ . 1 . 2]" 1
730 1 78 THR MG 1 85 PRO HA . . 3.520 3.147 3.093 3.211 . 0 0 "[ . 1 . 2]" 1
731 1 78 THR MG 1 87 TYR HA . . 3.800 2.840 2.669 3.044 . 0 0 "[ . 1 . 2]" 1
732 1 78 THR HA 1 78 THR MG . . 2.880 2.275 2.214 2.567 . 0 0 "[ . 1 . 2]" 1
733 1 78 THR MG 1 79 PRO HD2 . . 3.240 2.217 2.110 2.426 . 0 0 "[ . 1 . 2]" 1
734 1 36 ILE MD 1 110 ALA HA . . 5.000 4.586 4.345 5.000 . 0 0 "[ . 1 . 2]" 1
735 1 24 ARG HA 1 57 ALA H . . 4.930 4.053 3.742 4.526 . 0 0 "[ . 1 . 2]" 1
736 1 45 VAL H 1 45 VAL MG2 . . 3.940 3.067 2.430 3.844 . 0 0 "[ . 1 . 2]" 1
737 1 45 VAL MG2 1 61 MET HA . . 4.010 3.134 2.537 3.410 . 0 0 "[ . 1 . 2]" 1
738 1 80 VAL H 1 80 VAL MG1 . . 3.840 3.291 2.510 3.817 . 0 0 "[ . 1 . 2]" 1
739 1 80 VAL MG1 1 84 GLN HA . . 4.440 4.011 3.499 4.645 0.205 11 0 "[ . 1 . 2]" 1
740 1 80 VAL MG1 1 85 PRO HD3 . . 4.490 3.058 2.889 3.265 . 0 0 "[ . 1 . 2]" 1
741 1 80 VAL MG1 1 83 GLY HA2 . . 4.390 3.101 2.142 4.401 0.011 11 0 "[ . 1 . 2]" 1
742 1 23 ILE MG 1 24 ARG HA . . 4.990 3.959 3.802 4.203 . 0 0 "[ . 1 . 2]" 1
743 1 24 ARG HA 1 25 LYS QG . . 4.740 4.570 4.235 4.765 0.025 5 0 "[ . 1 . 2]" 1
744 1 77 VAL H 1 77 VAL MG2 . . 3.710 2.800 2.600 3.172 . 0 0 "[ . 1 . 2]" 1
745 1 74 TYR QD 1 77 VAL MG2 . . 4.370 2.529 1.920 4.379 0.009 10 0 "[ . 1 . 2]" 1
746 1 73 TYR QE 1 77 VAL MG2 . . 3.050 2.261 1.988 2.901 . 0 0 "[ . 1 . 2]" 1
747 1 73 TYR QD 1 77 VAL MG2 . . 3.460 2.408 1.945 3.515 0.055 12 0 "[ . 1 . 2]" 1
748 1 74 TYR HA 1 77 VAL MG2 . . 3.930 2.543 1.947 3.936 0.006 10 0 "[ . 1 . 2]" 1
749 1 77 VAL HA 1 77 VAL MG2 . . 3.190 2.946 2.360 3.150 . 0 0 "[ . 1 . 2]" 1
750 1 28 ILE H 1 30 VAL MG1 . . 5.500 5.288 4.030 5.585 0.085 12 0 "[ . 1 . 2]" 1
751 1 30 VAL MG1 1 31 THR H . . 4.120 2.769 2.258 4.048 . 0 0 "[ . 1 . 2]" 1
752 1 30 VAL H 1 30 VAL MG1 . . 3.720 3.123 1.901 3.557 . 0 0 "[ . 1 . 2]" 1
753 1 30 VAL HA 1 30 VAL MG1 . . 3.170 2.900 2.638 3.183 0.013 15 0 "[ . 1 . 2]" 1
754 1 71 VAL MG2 1 90 PHE H . . 5.110 3.449 3.186 4.241 . 0 0 "[ . 1 . 2]" 1
755 1 71 VAL H 1 71 VAL MG2 . . 3.510 2.379 2.280 2.866 . 0 0 "[ . 1 . 2]" 1
756 1 71 VAL MG2 1 90 PHE QE . . 3.830 2.801 2.012 2.908 . 0 0 "[ . 1 . 2]" 1
757 1 71 VAL HA 1 71 VAL MG2 . . 3.390 2.320 2.243 3.111 . 0 0 "[ . 1 . 2]" 1
758 1 112 GLN H 1 114 VAL MG2 . . 5.500 4.687 4.593 4.806 . 0 0 "[ . 1 . 2]" 1
759 1 114 VAL H 1 114 VAL MG2 . . 3.690 2.446 2.361 2.526 . 0 0 "[ . 1 . 2]" 1
760 1 111 LEU HA 1 114 VAL MG2 . . 3.010 2.202 2.079 2.318 . 0 0 "[ . 1 . 2]" 1
761 1 117 VAL HA 1 117 VAL MG2 . . 3.320 2.801 2.281 3.233 . 0 0 "[ . 1 . 2]" 1
762 1 26 LEU HA 1 26 LEU MD1 . . 4.010 2.397 2.202 2.958 . 0 0 "[ . 1 . 2]" 1
763 1 26 LEU HA 1 57 ALA MB . . 4.860 4.910 4.877 4.943 0.083 5 0 "[ . 1 . 2]" 1
764 1 26 LEU HA 1 86 ILE HG12 . . 5.170 4.192 3.919 4.434 . 0 0 "[ . 1 . 2]" 1
765 1 77 VAL H 1 77 VAL MG1 . . 3.710 2.904 2.550 3.803 0.093 2 0 "[ . 1 . 2]" 1
766 1 73 TYR QE 1 77 VAL MG1 . . 3.050 2.246 2.148 2.327 . 0 0 "[ . 1 . 2]" 1
767 1 73 TYR QD 1 77 VAL MG1 . . 3.460 3.049 2.576 3.515 0.055 12 0 "[ . 1 . 2]" 1
768 1 74 TYR HA 1 77 VAL MG1 . . 3.930 3.638 3.384 3.759 . 0 0 "[ . 1 . 2]" 1
769 1 77 VAL HA 1 77 VAL MG1 . . 3.190 2.556 2.449 2.618 . 0 0 "[ . 1 . 2]" 1
770 1 80 VAL H 1 80 VAL MG2 . . 3.840 3.052 2.705 3.267 . 0 0 "[ . 1 . 2]" 1
771 1 80 VAL MG2 1 85 PRO HD3 . . 4.490 2.952 2.671 3.388 . 0 0 "[ . 1 . 2]" 1
772 1 80 VAL MG2 1 83 GLY HA2 . . 4.390 3.427 2.155 4.394 0.004 4 0 "[ . 1 . 2]" 1
773 1 80 VAL MG2 1 85 PRO HB3 . . 3.950 2.713 1.938 3.841 . 0 0 "[ . 1 . 2]" 1
774 1 62 ASN H 1 66 ALA MB . . 3.870 3.712 3.515 3.885 0.015 20 0 "[ . 1 . 2]" 1
775 1 66 ALA MB 1 69 THR H . . 5.070 4.783 4.664 4.867 . 0 0 "[ . 1 . 2]" 1
776 1 66 ALA H 1 66 ALA MB . . 2.950 2.213 2.163 2.238 . 0 0 "[ . 1 . 2]" 1
777 1 43 GLY H 1 66 ALA MB . . 4.380 4.197 4.044 4.271 . 0 0 "[ . 1 . 2]" 1
778 1 66 ALA MB 1 67 ALA H . . 2.900 2.596 2.481 2.670 . 0 0 "[ . 1 . 2]" 1
779 1 63 THR H 1 66 ALA MB . . 3.060 2.595 2.537 2.656 . 0 0 "[ . 1 . 2]" 1
780 1 67 ALA MB 1 68 ASN H . . 3.280 2.589 2.526 2.709 . 0 0 "[ . 1 . 2]" 1
781 1 67 ALA MB 1 70 MET H . . 5.030 4.631 4.458 4.698 . 0 0 "[ . 1 . 2]" 1
782 1 67 ALA H 1 67 ALA MB . . 2.660 2.202 2.185 2.221 . 0 0 "[ . 1 . 2]" 1
783 1 61 MET HA 1 67 ALA MB . . 5.300 4.888 4.639 5.133 . 0 0 "[ . 1 . 2]" 1
784 1 19 ARG HA 1 67 ALA MB . . 3.060 2.340 2.138 2.535 . 0 0 "[ . 1 . 2]" 1
785 1 64 GLU HA 1 67 ALA MB . . 3.220 2.648 2.492 3.066 . 0 0 "[ . 1 . 2]" 1
786 1 67 ALA MB 1 68 ASN HB2 . . 4.790 4.128 4.038 4.317 . 0 0 "[ . 1 . 2]" 1
787 1 14 ALA MB 1 15 GLY H . . 4.790 2.579 2.019 3.258 . 0 0 "[ . 1 . 2]" 1
788 1 14 ALA MB 1 90 PHE QE . . 4.800 3.481 2.610 4.815 0.015 18 0 "[ . 1 . 2]" 1
789 1 47 ASN HA 1 48 LEU H . . 3.320 2.333 2.265 2.393 . 0 0 "[ . 1 . 2]" 1
790 1 47 ASN HA 1 60 GLU HB3 . . 5.280 4.557 4.307 4.767 . 0 0 "[ . 1 . 2]" 1
791 1 23 ILE MG 1 26 LEU H . . 4.270 4.057 3.759 4.225 . 0 0 "[ . 1 . 2]" 1
792 1 23 ILE MG 1 87 TYR H . . 4.400 4.093 3.898 4.181 . 0 0 "[ . 1 . 2]" 1
793 1 23 ILE MG 1 88 ILE HA . . 4.310 3.054 2.963 3.139 . 0 0 "[ . 1 . 2]" 1
794 1 23 ILE MG 1 26 LEU HA . . 4.190 3.570 3.248 3.755 . 0 0 "[ . 1 . 2]" 1
795 1 23 ILE MG 1 27 PRO HD3 . . 5.090 4.740 4.150 5.006 . 0 0 "[ . 1 . 2]" 1
796 1 23 ILE MG 1 87 TYR HB3 . . 5.500 5.250 5.102 5.525 0.025 7 0 "[ . 1 . 2]" 1
797 1 23 ILE MG 1 87 TYR HB2 . . 5.500 4.658 4.563 4.756 . 0 0 "[ . 1 . 2]" 1
798 1 23 ILE MG 1 70 MET ME . . 5.150 4.992 4.773 5.155 0.005 16 0 "[ . 1 . 2]" 1
799 1 23 ILE MG 1 27 PRO HD2 . . 5.210 4.655 4.320 5.104 . 0 0 "[ . 1 . 2]" 1
800 1 84 GLN HA 1 85 PRO HD3 . . 3.010 2.426 2.205 2.613 . 0 0 "[ . 1 . 2]" 1
801 1 84 GLN HA 1 85 PRO HD2 . . 3.020 2.011 1.960 2.065 . 0 0 "[ . 1 . 2]" 1
802 1 84 GLN HA 1 85 PRO HB2 . . 5.500 5.527 5.491 5.558 0.058 20 0 "[ . 1 . 2]" 1
803 1 80 VAL MG2 1 84 GLN HA . . 4.440 4.173 3.695 4.498 0.058 17 0 "[ . 1 . 2]" 1
804 1 21 ILE MG 1 90 PHE QD . . 4.680 4.715 4.694 4.730 0.050 3 0 "[ . 1 . 2]" 1
805 1 61 MET HA 1 62 ASN HA . . 5.100 4.394 4.250 4.461 . 0 0 "[ . 1 . 2]" 1
806 1 61 MET HA 1 61 MET QG . . 3.780 2.977 2.133 3.251 . 0 0 "[ . 1 . 2]" 1
807 1 60 GLU HB3 1 61 MET HA . . 5.250 4.901 4.582 5.152 . 0 0 "[ . 1 . 2]" 1
808 1 45 VAL MG1 1 61 MET HA . . 4.010 3.734 3.340 4.127 0.117 16 0 "[ . 1 . 2]" 1
809 1 61 MET HA 1 63 THR H . . 5.040 4.121 3.874 4.359 . 0 0 "[ . 1 . 2]" 1
810 1 44 LYS QE 1 61 MET HA . . 5.410 5.462 5.405 5.506 0.096 16 0 "[ . 1 . 2]" 1
811 1 21 ILE H 1 21 ILE MG . . 3.660 3.664 3.633 3.698 0.038 18 0 "[ . 1 . 2]" 1
812 1 21 ILE MG 1 22 HIS H . . 3.530 2.150 2.034 2.397 . 0 0 "[ . 1 . 2]" 1
813 1 21 ILE MG 1 59 ILE H . . 4.380 3.972 3.809 4.111 . 0 0 "[ . 1 . 2]" 1
814 1 21 ILE MG 1 89 GLN H . . 3.620 3.206 2.923 3.415 . 0 0 "[ . 1 . 2]" 1
815 1 21 ILE MG 1 74 TYR QE . . 5.500 5.241 4.983 5.442 . 0 0 "[ . 1 . 2]" 1
816 1 21 ILE MG 1 71 VAL HA . . 5.500 5.078 4.857 5.380 . 0 0 "[ . 1 . 2]" 1
817 1 45 VAL H 1 61 MET HA . . 5.250 4.758 4.555 4.933 . 0 0 "[ . 1 . 2]" 1
818 1 113 ALA MB 1 114 VAL H . . 3.520 2.876 2.818 2.992 . 0 0 "[ . 1 . 2]" 1
819 1 32 GLU H 1 110 ALA MB . . 4.540 4.003 3.736 4.374 . 0 0 "[ . 1 . 2]" 1
820 1 33 GLY H 1 110 ALA MB . . 4.100 3.845 3.487 4.100 . 0 0 "[ . 1 . 2]" 1
821 1 110 ALA MB 1 111 LEU H . . 3.160 2.732 2.580 2.805 . 0 0 "[ . 1 . 2]" 1
822 1 110 ALA H 1 110 ALA MB . . 3.200 2.191 2.176 2.207 . 0 0 "[ . 1 . 2]" 1
823 1 107 ALA HA 1 110 ALA MB . . 2.920 2.908 2.720 2.964 0.044 13 0 "[ . 1 . 2]" 1
824 1 33 GLY HA2 1 110 ALA MB . . 3.900 3.582 2.939 3.919 0.019 10 0 "[ . 1 . 2]" 1
825 1 106 ARG QD 1 107 ALA MB . . 5.500 4.903 3.788 5.430 . 0 0 "[ . 1 . 2]" 1
826 1 50 MET H 1 107 ALA MB . . 5.170 2.536 2.026 2.992 . 0 0 "[ . 1 . 2]" 1
827 1 107 ALA MB 1 108 GLN H . . 3.960 2.695 2.553 2.930 . 0 0 "[ . 1 . 2]" 1
828 1 48 LEU HA 1 107 ALA MB . . 5.080 4.825 4.226 5.082 0.002 12 0 "[ . 1 . 2]" 1
829 1 109 ALA MB 1 110 ALA H . . 3.460 2.712 2.545 2.800 . 0 0 "[ . 1 . 2]" 1
830 1 106 ARG QD 1 110 ALA MB . . 4.780 3.324 2.647 3.944 . 0 0 "[ . 1 . 2]" 1
831 1 109 ALA H 1 109 ALA MB . . 3.100 2.226 2.200 2.268 . 0 0 "[ . 1 . 2]" 1
832 1 41 PRO HD2 1 42 PHE H . . 5.030 3.156 2.887 3.276 . 0 0 "[ . 1 . 2]" 1
833 1 40 LEU QD 1 41 PRO HD2 . . 4.120 4.158 4.002 4.180 0.060 13 0 "[ . 1 . 2]" 1
834 1 41 PRO HD2 1 42 PHE QD . . 4.780 3.855 3.615 3.958 . 0 0 "[ . 1 . 2]" 1
835 1 40 LEU H 1 41 PRO HD2 . . 4.140 1.762 1.725 1.781 . 0 0 "[ . 1 . 2]" 1
836 1 39 GLY H 1 41 PRO HD3 . . 5.490 4.948 4.253 5.033 . 0 0 "[ . 1 . 2]" 1
837 1 40 LEU H 1 41 PRO HD3 . . 4.030 2.999 2.810 3.069 . 0 0 "[ . 1 . 2]" 1
838 1 37 SER HA 1 41 PRO HD3 . . 4.450 4.184 3.439 4.306 . 0 0 "[ . 1 . 2]" 1
839 1 81 LEU H 1 86 ILE MG . . 4.040 3.880 3.625 4.050 0.010 2 0 "[ . 1 . 2]" 1
840 1 26 LEU H 1 86 ILE MG . . 4.370 4.114 3.861 4.325 . 0 0 "[ . 1 . 2]" 1
841 1 86 ILE H 1 86 ILE MG . . 3.080 2.968 2.856 3.077 . 0 0 "[ . 1 . 2]" 1
842 1 85 PRO HA 1 86 ILE MG . . 4.080 3.480 3.370 3.551 . 0 0 "[ . 1 . 2]" 1
843 1 26 LEU HA 1 86 ILE MG . . 3.230 2.459 2.127 2.817 . 0 0 "[ . 1 . 2]" 1
844 1 27 PRO HD3 1 86 ILE MG . . 3.450 1.836 1.797 1.885 . 0 0 "[ . 1 . 2]" 1
845 1 27 PRO HD2 1 86 ILE MG . . 3.500 3.187 2.962 3.446 . 0 0 "[ . 1 . 2]" 1
846 1 25 LYS QB 1 86 ILE MG . . 3.530 3.011 2.792 3.233 . 0 0 "[ . 1 . 2]" 1
847 1 70 MET ME 1 71 VAL H . . 5.170 5.139 4.636 5.214 0.044 13 0 "[ . 1 . 2]" 1
848 1 70 MET ME 1 74 TYR QD . . 2.980 2.625 2.512 2.695 . 0 0 "[ . 1 . 2]" 1
849 1 70 MET ME 1 74 TYR QE . . 2.870 2.210 2.095 2.326 . 0 0 "[ . 1 . 2]" 1
850 1 59 ILE MD 1 70 MET ME . . 2.550 2.016 1.962 2.091 . 0 0 "[ . 1 . 2]" 1
851 1 70 MET ME 1 88 ILE MD . . 2.660 1.862 1.802 1.912 . 0 0 "[ . 1 . 2]" 1
852 1 84 GLN H 1 85 PRO HD3 . . 4.350 4.365 4.288 4.422 0.072 10 0 "[ . 1 . 2]" 1
853 1 84 GLN QG 1 85 PRO HD3 . . 4.580 4.475 4.287 4.601 0.021 13 0 "[ . 1 . 2]" 1
854 1 78 THR MG 1 85 PRO HD3 . . 5.370 5.391 5.322 5.414 0.044 11 0 "[ . 1 . 2]" 1
855 1 78 THR MG 1 85 PRO HD2 . . 5.500 5.509 5.450 5.543 0.043 20 0 "[ . 1 . 2]" 1
856 1 80 VAL MG1 1 85 PRO HD2 . . 5.500 4.338 4.146 4.597 . 0 0 "[ . 1 . 2]" 1
857 1 80 VAL MG2 1 85 PRO HD2 . . 5.500 4.320 4.057 4.683 . 0 0 "[ . 1 . 2]" 1
858 1 88 ILE MG 1 89 GLN H . . 4.180 3.955 3.689 4.048 . 0 0 "[ . 1 . 2]" 1
859 1 88 ILE H 1 88 ILE MG . . 3.250 2.217 2.148 2.272 . 0 0 "[ . 1 . 2]" 1
860 1 74 TYR H 1 88 ILE MG . . 4.600 4.626 4.564 4.679 0.079 15 0 "[ . 1 . 2]" 1
861 1 74 TYR QD 1 88 ILE MG . . 3.470 3.096 3.046 3.158 . 0 0 "[ . 1 . 2]" 1
862 1 74 TYR QE 1 88 ILE MG . . 4.610 4.268 4.193 4.356 . 0 0 "[ . 1 . 2]" 1
863 1 74 TYR HA 1 88 ILE MG . . 4.320 3.796 3.730 3.837 . 0 0 "[ . 1 . 2]" 1
864 1 74 TYR HB3 1 88 ILE MG . . 3.780 1.837 1.793 1.861 . 0 0 "[ . 1 . 2]" 1
865 1 71 VAL HA 1 88 ILE MG . . 3.860 3.947 3.920 3.987 0.127 12 0 "[ . 1 . 2]" 1
866 1 74 TYR HB2 1 88 ILE MG . . 3.950 2.726 2.678 2.794 . 0 0 "[ . 1 . 2]" 1
867 1 84 GLN H 1 85 PRO HD2 . . 4.800 4.769 4.660 4.854 0.054 7 0 "[ . 1 . 2]" 1
868 1 84 GLN QG 1 85 PRO HD2 . . 3.840 3.794 3.649 3.893 0.053 6 0 "[ . 1 . 2]" 1
869 1 74 TYR HB2 1 79 PRO HD3 . . 4.990 4.520 4.444 4.588 . 0 0 "[ . 1 . 2]" 1
870 1 78 THR MG 1 79 PRO HD3 . . 4.010 3.519 3.398 3.742 . 0 0 "[ . 1 . 2]" 1
871 1 9 GLY H 1 17 PRO HD3 . . 4.830 3.659 2.348 4.818 . 0 0 "[ . 1 . 2]" 1
872 1 9 GLY H 1 17 PRO HD2 . . 4.830 3.424 1.958 4.848 0.018 7 0 "[ . 1 . 2]" 1
873 1 36 ILE MG 1 37 SER H . . 4.050 3.527 3.298 4.105 0.055 13 0 "[ . 1 . 2]" 1
874 1 36 ILE HA 1 36 ILE MG . . 2.960 2.432 2.137 2.496 . 0 0 "[ . 1 . 2]" 1
875 1 26 LEU H 1 27 PRO HD3 . . 4.960 4.827 4.487 5.019 0.059 7 0 "[ . 1 . 2]" 1
876 1 25 LYS QB 1 27 PRO HD3 . . 5.500 5.137 4.734 5.370 . 0 0 "[ . 1 . 2]" 1
877 1 32 GLU H 1 50 MET ME . . 4.370 3.674 3.329 4.282 . 0 0 "[ . 1 . 2]" 1
878 1 35 VAL H 1 50 MET ME . . 4.270 3.821 3.376 4.086 . 0 0 "[ . 1 . 2]" 1
879 1 32 GLU HA 1 50 MET ME . . 3.210 2.245 1.884 3.231 0.021 10 0 "[ . 1 . 2]" 1
880 1 50 MET ME 1 52 LYS QE . . 3.130 2.460 1.831 3.173 0.043 14 0 "[ . 1 . 2]" 1
881 1 26 LEU MD1 1 50 MET ME . . 4.130 3.066 2.044 3.700 . 0 0 "[ . 1 . 2]" 1
882 1 31 THR H 1 50 MET ME . . 4.500 4.349 3.658 4.546 0.046 14 0 "[ . 1 . 2]" 1
883 1 34 GLU H 1 50 MET ME . . 5.040 4.610 4.271 5.010 . 0 0 "[ . 1 . 2]" 1
884 1 30 VAL H 1 50 MET ME . . 4.680 4.678 4.533 4.748 0.068 4 0 "[ . 1 . 2]" 1
885 1 61 MET H 1 61 MET ME . . 4.600 4.295 3.863 4.646 0.046 12 0 "[ . 1 . 2]" 1
886 1 61 MET ME 1 67 ALA HA . . 2.980 2.876 2.314 3.083 0.103 12 0 "[ . 1 . 2]" 1
887 1 21 ILE MD 1 61 MET ME . . 3.790 3.142 2.385 3.773 . 0 0 "[ . 1 . 2]" 1
888 1 59 ILE MD 1 61 MET ME . . 4.250 3.706 3.077 4.073 . 0 0 "[ . 1 . 2]" 1
889 1 81 LEU H 1 86 ILE MD . . 4.010 3.133 2.833 3.332 . 0 0 "[ . 1 . 2]" 1
890 1 86 ILE H 1 86 ILE MD . . 3.230 1.844 1.802 1.921 . 0 0 "[ . 1 . 2]" 1
891 1 85 PRO HA 1 86 ILE MD . . 4.090 3.005 2.914 3.085 . 0 0 "[ . 1 . 2]" 1
892 1 86 ILE HA 1 86 ILE MD . . 3.640 3.662 3.645 3.679 0.039 17 0 "[ . 1 . 2]" 1
893 1 79 PRO HD2 1 86 ILE MD . . 3.850 3.869 3.849 3.892 0.042 8 0 "[ . 1 . 2]" 1
894 1 26 LEU HA 1 86 ILE MD . . 4.130 3.626 3.466 3.757 . 0 0 "[ . 1 . 2]" 1
895 1 27 PRO HD3 1 86 ILE MD . . 4.180 2.864 2.663 3.008 . 0 0 "[ . 1 . 2]" 1
896 1 86 ILE HB 1 86 ILE MD . . 3.350 3.260 3.244 3.270 . 0 0 "[ . 1 . 2]" 1
897 1 81 LEU HG 1 86 ILE MD . . 3.590 2.481 2.018 3.754 0.164 17 0 "[ . 1 . 2]" 1
898 1 88 ILE MD 1 89 GLN H . . 4.170 3.980 3.881 4.090 . 0 0 "[ . 1 . 2]" 1
899 1 74 TYR H 1 88 ILE MD . . 4.760 4.306 4.161 4.597 . 0 0 "[ . 1 . 2]" 1
900 1 74 TYR QD 1 88 ILE MD . . 3.230 2.181 2.102 2.339 . 0 0 "[ . 1 . 2]" 1
901 1 74 TYR QE 1 88 ILE MD . . 3.900 3.474 3.293 3.606 . 0 0 "[ . 1 . 2]" 1
902 1 74 TYR HA 1 88 ILE MD . . 4.710 4.542 4.445 4.714 0.004 16 0 "[ . 1 . 2]" 1
903 1 79 PRO HD3 1 88 ILE MD . . 4.490 3.797 3.535 3.950 . 0 0 "[ . 1 . 2]" 1
904 1 74 TYR HB3 1 88 ILE MD . . 3.510 2.562 2.433 2.810 . 0 0 "[ . 1 . 2]" 1
905 1 71 VAL HA 1 88 ILE MD . . 3.480 3.143 3.008 3.481 0.001 16 0 "[ . 1 . 2]" 1
906 1 74 TYR HB2 1 88 ILE MD . . 3.750 2.257 2.117 2.616 . 0 0 "[ . 1 . 2]" 1
907 1 23 ILE MD 1 70 MET ME . . 3.450 3.181 2.881 3.427 . 0 0 "[ . 1 . 2]" 1
908 1 27 PRO HD2 1 86 ILE MD . . 4.320 3.451 3.283 3.716 . 0 0 "[ . 1 . 2]" 1
909 1 59 ILE H 1 59 ILE MD . . 3.960 3.998 3.979 4.017 0.057 4 0 "[ . 1 . 2]" 1
910 1 39 GLY H 1 59 ILE MD . . 4.050 4.074 4.055 4.098 0.048 17 0 "[ . 1 . 2]" 1
911 1 39 GLY HA3 1 59 ILE MD . . 4.500 3.108 2.998 3.248 . 0 0 "[ . 1 . 2]" 1
912 1 23 ILE MD 1 58 PHE H . . 5.500 5.509 5.350 5.602 0.102 20 0 "[ . 1 . 2]" 1
913 1 23 ILE MD 1 59 ILE H . . 5.500 5.369 4.840 5.542 0.042 13 0 "[ . 1 . 2]" 1
914 1 23 ILE MD 1 58 PHE HA . . 5.160 4.996 4.512 5.194 0.034 6 0 "[ . 1 . 2]" 1
915 1 33 GLY H 1 36 ILE MD . . 4.360 4.310 4.167 4.396 0.036 7 0 "[ . 1 . 2]" 1
916 1 36 ILE H 1 36 ILE MD . . 3.510 3.398 3.275 3.482 . 0 0 "[ . 1 . 2]" 1
917 1 36 ILE MD 1 37 SER H . . 4.510 4.503 4.278 4.556 0.046 10 0 "[ . 1 . 2]" 1
918 1 36 ILE MD 1 114 VAL H . . 4.740 4.280 4.092 4.484 . 0 0 "[ . 1 . 2]" 1
919 1 35 VAL H 1 36 ILE MD . . 5.240 4.914 4.714 5.005 . 0 0 "[ . 1 . 2]" 1
920 1 33 GLY HA2 1 36 ILE MD . . 3.690 2.159 1.965 2.342 . 0 0 "[ . 1 . 2]" 1
921 1 36 ILE HA 1 36 ILE MD . . 4.020 3.905 3.862 4.058 0.038 13 0 "[ . 1 . 2]" 1
922 1 36 ILE HB 1 36 ILE MD . . 2.890 2.288 2.233 2.324 . 0 0 "[ . 1 . 2]" 1
923 1 36 ILE MD 1 111 LEU HG . . 3.190 3.117 2.901 3.227 0.037 8 0 "[ . 1 . 2]" 1
924 1 33 GLY HA2 1 37 SER H . . 5.130 4.194 3.975 4.549 . 0 0 "[ . 1 . 2]" 1
925 1 33 GLY HA3 1 110 ALA MB . . 4.600 4.187 3.485 4.557 . 0 0 "[ . 1 . 2]" 1
926 1 33 GLY HA3 1 36 ILE MD . . 3.980 3.730 3.392 3.932 . 0 0 "[ . 1 . 2]" 1
927 1 21 ILE H 1 21 ILE MD . . 3.640 3.055 2.931 3.253 . 0 0 "[ . 1 . 2]" 1
928 1 21 ILE MD 1 22 HIS H . . 4.870 4.682 4.553 4.832 . 0 0 "[ . 1 . 2]" 1
929 1 21 ILE MD 1 59 ILE H . . 5.500 5.210 5.020 5.313 . 0 0 "[ . 1 . 2]" 1
930 1 21 ILE MD 1 91 SER H . . 5.500 4.569 4.333 4.875 . 0 0 "[ . 1 . 2]" 1
931 1 21 ILE MD 1 71 VAL H . . 3.900 3.832 3.719 3.908 0.008 10 0 "[ . 1 . 2]" 1
932 1 21 ILE MD 1 70 MET H . . 4.670 4.595 4.423 4.693 0.023 19 0 "[ . 1 . 2]" 1
933 1 21 ILE MD 1 90 PHE QD . . 3.320 3.024 2.674 3.319 . 0 0 "[ . 1 . 2]" 1
934 1 21 ILE MD 1 67 ALA HA . . 2.950 2.330 2.110 2.623 . 0 0 "[ . 1 . 2]" 1
935 1 21 ILE HB 1 21 ILE MD . . 2.970 2.251 2.210 2.281 . 0 0 "[ . 1 . 2]" 1
936 1 21 ILE MD 1 67 ALA MB . . 2.560 2.098 2.001 2.210 . 0 0 "[ . 1 . 2]" 1
937 1 81 LEU H 1 81 LEU HB2 . . 3.960 2.656 2.337 2.756 . 0 0 "[ . 1 . 2]" 1
938 1 27 PRO HD3 1 81 LEU HB2 . . 5.500 3.793 3.382 4.029 . 0 0 "[ . 1 . 2]" 1
939 1 39 GLY HA2 1 59 ILE MD . . 4.500 4.137 3.947 4.362 . 0 0 "[ . 1 . 2]" 1
940 1 43 GLY HA3 1 61 MET ME . . 4.380 3.790 3.258 4.410 0.030 11 0 "[ . 1 . 2]" 1
941 1 83 GLY HA2 1 84 GLN QG . . 5.160 4.627 4.536 4.751 . 0 0 "[ . 1 . 2]" 1
942 1 9 GLY QA 1 17 PRO HG3 . . 5.420 5.072 3.976 5.445 0.025 14 0 "[ . 1 . 2]" 1
943 1 21 ILE H 1 58 PHE HA . . 4.620 4.632 4.461 4.680 0.060 10 0 "[ . 1 . 2]" 1
944 1 21 ILE H 1 60 GLU HA . . 3.910 3.440 3.228 3.612 . 0 0 "[ . 1 . 2]" 1
945 1 20 VAL HA 1 21 ILE H . . 3.400 2.213 2.173 2.287 . 0 0 "[ . 1 . 2]" 1
946 1 21 ILE H 1 59 ILE HG12 . . 4.400 4.416 4.351 4.441 0.041 14 0 "[ . 1 . 2]" 1
947 1 21 ILE H 1 59 ILE HG13 . . 3.240 2.954 2.857 3.043 . 0 0 "[ . 1 . 2]" 1
948 1 21 ILE HG12 1 22 HIS H . . 4.970 4.408 4.281 4.662 . 0 0 "[ . 1 . 2]" 1
949 1 22 HIS H 1 58 PHE HA . . 5.130 5.031 4.844 5.159 0.029 18 0 "[ . 1 . 2]" 1
950 1 21 ILE HA 1 22 HIS H . . 3.480 2.244 2.158 2.269 . 0 0 "[ . 1 . 2]" 1
951 1 22 HIS H 1 59 ILE HG13 . . 5.500 5.128 4.947 5.419 . 0 0 "[ . 1 . 2]" 1
952 1 22 HIS H 1 22 HIS HD2 . . 5.500 5.026 3.787 5.554 0.054 17 0 "[ . 1 . 2]" 1
953 1 47 ASN HB3 1 60 GLU H . . 4.440 3.718 3.413 4.022 . 0 0 "[ . 1 . 2]" 1
954 1 48 LEU HA 1 60 GLU H . . 4.120 3.738 3.462 3.923 . 0 0 "[ . 1 . 2]" 1
955 1 59 ILE HA 1 60 GLU H . . 3.180 2.361 2.249 2.422 . 0 0 "[ . 1 . 2]" 1
956 1 47 ASN HB2 1 60 GLU H . . 4.780 2.860 2.086 3.502 . 0 0 "[ . 1 . 2]" 1
957 1 59 ILE HB 1 60 GLU H . . 3.560 2.703 2.522 3.124 . 0 0 "[ . 1 . 2]" 1
958 1 59 ILE MG 1 60 GLU H . . 3.690 3.239 3.065 3.440 . 0 0 "[ . 1 . 2]" 1
959 1 50 MET H 1 51 LEU H . . 4.540 4.499 4.306 4.595 0.055 17 0 "[ . 1 . 2]" 1
960 1 49 LEU HA 1 50 MET H . . 3.240 2.178 2.113 2.284 . 0 0 "[ . 1 . 2]" 1
961 1 50 MET H 1 107 ALA HA . . 5.230 4.746 3.948 5.294 0.064 6 0 "[ . 1 . 2]" 1
962 1 49 LEU MD2 1 50 MET H . . 5.280 4.630 4.132 5.060 . 0 0 "[ . 1 . 2]" 1
963 1 45 VAL H 1 62 ASN HB3 . . 5.370 5.304 4.748 5.445 0.075 20 0 "[ . 1 . 2]" 1
964 1 51 LEU H 1 56 GLN H . . 4.630 4.291 3.826 4.635 0.005 3 0 "[ . 1 . 2]" 1
965 1 51 LEU H 1 57 ALA HA . . 3.750 2.751 2.211 3.660 . 0 0 "[ . 1 . 2]" 1
966 1 44 LYS HA 1 45 VAL H . . 2.970 2.173 2.134 2.231 . 0 0 "[ . 1 . 2]" 1
967 1 44 LYS QD 1 45 VAL H . . 3.910 2.649 1.997 3.826 . 0 0 "[ . 1 . 2]" 1
968 1 13 SER QB 1 14 ALA H . . 4.960 3.161 1.981 3.576 . 0 0 "[ . 1 . 2]" 1
969 1 49 LEU H 1 59 ILE HA . . 4.620 3.272 3.168 3.390 . 0 0 "[ . 1 . 2]" 1
970 1 48 LEU HA 1 49 LEU H . . 3.540 2.140 2.114 2.190 . 0 0 "[ . 1 . 2]" 1
971 1 49 LEU H 1 96 LEU HG . . 3.990 4.178 4.137 4.213 0.223 11 0 "[ . 1 . 2]" 1
972 1 49 LEU H 1 59 ILE HB . . 5.500 5.556 5.512 5.593 0.093 2 0 "[ . 1 . 2]" 1
973 1 51 LEU HA 1 52 LYS H . . 3.100 2.666 2.219 2.937 . 0 0 "[ . 1 . 2]" 1
974 1 66 ALA H 1 67 ALA H . . 3.270 2.581 2.533 2.654 . 0 0 "[ . 1 . 2]" 1
975 1 63 THR HB 1 66 ALA H . . 4.020 3.444 3.410 3.496 . 0 0 "[ . 1 . 2]" 1
976 1 64 GLU HA 1 66 ALA H . . 4.670 4.207 4.078 4.301 . 0 0 "[ . 1 . 2]" 1
977 1 66 ALA H 1 68 ASN QB . . 4.730 4.531 4.468 4.580 . 0 0 "[ . 1 . 2]" 1
978 1 65 GLU HG3 1 66 ALA H . . 4.100 2.515 2.478 2.569 . 0 0 "[ . 1 . 2]" 1
979 1 81 LEU H 1 82 ARG H . . 4.800 4.345 4.206 4.469 . 0 0 "[ . 1 . 2]" 1
980 1 80 VAL HA 1 81 LEU H . . 2.830 2.137 2.097 2.181 . 0 0 "[ . 1 . 2]" 1
981 1 81 LEU H 1 82 ARG QB . . 4.970 4.865 4.696 5.000 0.030 4 0 "[ . 1 . 2]" 1
982 1 81 LEU H 1 83 GLY HA2 . . 5.500 5.056 4.770 5.276 . 0 0 "[ . 1 . 2]" 1
983 1 81 LEU H 1 84 GLN HB3 . . 4.870 4.701 4.556 4.888 0.018 4 0 "[ . 1 . 2]" 1
984 1 81 LEU H 1 81 LEU HB3 . . 3.960 3.774 3.506 3.842 . 0 0 "[ . 1 . 2]" 1
985 1 104 GLN HA 1 107 ALA H . . 4.150 3.223 2.885 3.555 . 0 0 "[ . 1 . 2]" 1
986 1 69 THR HA 1 73 TYR H . . 4.400 4.189 4.104 4.311 . 0 0 "[ . 1 . 2]" 1
987 1 70 MET HA 1 73 TYR H . . 4.500 3.793 3.703 3.853 . 0 0 "[ . 1 . 2]" 1
988 1 88 ILE H 1 88 ILE HB . . 3.530 3.475 3.289 3.545 0.015 7 0 "[ . 1 . 2]" 1
989 1 71 VAL HA 1 73 TYR H . . 4.410 3.909 3.677 3.969 . 0 0 "[ . 1 . 2]" 1
990 1 74 TYR HA 1 77 VAL H . . 3.300 2.601 2.528 2.668 . 0 0 "[ . 1 . 2]" 1
991 1 75 THR HA 1 77 VAL H . . 4.380 4.226 4.082 4.412 0.032 15 0 "[ . 1 . 2]" 1
992 1 60 GLU HA 1 61 MET H . . 3.400 2.141 2.073 2.292 . 0 0 "[ . 1 . 2]" 1
993 1 20 VAL HA 1 61 MET H . . 3.960 3.417 2.864 3.744 . 0 0 "[ . 1 . 2]" 1
994 1 19 ARG HA 1 61 MET H . . 4.530 4.304 4.007 4.648 0.118 10 0 "[ . 1 . 2]" 1
995 1 61 MET H 1 67 ALA HA . . 5.500 5.325 5.063 5.534 0.034 12 0 "[ . 1 . 2]" 1
996 1 60 GLU HB3 1 61 MET H . . 4.340 3.986 3.768 4.141 . 0 0 "[ . 1 . 2]" 1
997 1 67 ALA HA 1 70 MET H . . 3.880 3.466 3.202 3.592 . 0 0 "[ . 1 . 2]" 1
998 1 68 ASN QB 1 70 MET H . . 5.180 4.675 4.625 4.747 . 0 0 "[ . 1 . 2]" 1
999 1 66 ALA MB 1 70 MET H . . 5.060 4.761 4.698 4.873 . 0 0 "[ . 1 . 2]" 1
1000 1 91 SER QB 1 92 ASN H . . 5.240 3.506 3.220 3.597 . 0 0 "[ . 1 . 2]" 1
1001 1 87 TYR HA 1 88 ILE H . . 2.910 2.316 2.249 2.435 . 0 0 "[ . 1 . 2]" 1
1002 1 23 ILE MG 1 88 ILE H . . 4.710 4.562 4.364 4.712 0.002 20 0 "[ . 1 . 2]" 1
1003 1 63 THR HA 1 64 GLU H . . 2.940 2.252 2.212 2.295 . 0 0 "[ . 1 . 2]" 1
1004 1 64 GLU H 1 66 ALA H . . 5.200 4.091 4.038 4.127 . 0 0 "[ . 1 . 2]" 1
1005 1 95 GLU H 1 96 LEU H . . 4.630 4.380 4.114 4.643 0.013 16 0 "[ . 1 . 2]" 1
1006 1 95 GLU HA 1 96 LEU H . . 2.760 2.270 2.086 2.388 . 0 0 "[ . 1 . 2]" 1
1007 1 47 ASN HB3 1 96 LEU H . . 4.870 4.097 3.942 4.235 . 0 0 "[ . 1 . 2]" 1
1008 1 107 ALA MB 1 109 ALA H . . 4.640 4.427 4.263 4.563 . 0 0 "[ . 1 . 2]" 1
1009 1 64 GLU H 1 65 GLU HA . . 5.460 5.214 5.174 5.257 . 0 0 "[ . 1 . 2]" 1
1010 1 82 ARG H 1 84 GLN H . . 4.680 4.205 4.087 4.338 . 0 0 "[ . 1 . 2]" 1
1011 1 80 VAL HA 1 84 GLN H . . 4.680 4.298 4.232 4.399 . 0 0 "[ . 1 . 2]" 1
1012 1 81 LEU HA 1 84 GLN H . . 4.600 4.302 4.125 4.490 . 0 0 "[ . 1 . 2]" 1
1013 1 83 GLY HA3 1 84 GLN H . . 3.370 3.391 3.306 3.427 0.057 18 0 "[ . 1 . 2]" 1
1014 1 83 GLY HA2 1 84 GLN H . . 3.380 3.315 3.248 3.397 0.017 5 0 "[ . 1 . 2]" 1
1015 1 81 LEU HA 1 82 ARG H . . 3.400 2.196 2.148 2.264 . 0 0 "[ . 1 . 2]" 1
1016 1 82 ARG H 1 83 GLY HA2 . . 5.020 5.042 5.018 5.071 0.051 9 0 "[ . 1 . 2]" 1
1017 1 47 ASN HB3 1 48 LEU H . . 3.680 2.436 2.332 2.562 . 0 0 "[ . 1 . 2]" 1
1018 1 48 LEU H 1 96 LEU QB . . 4.750 3.429 3.124 3.666 . 0 0 "[ . 1 . 2]" 1
1019 1 48 LEU H 1 96 LEU HG . . 5.430 3.537 3.275 5.347 . 0 0 "[ . 1 . 2]" 1
1020 1 36 ILE MD 1 110 ALA H . . 5.500 5.079 4.876 5.394 . 0 0 "[ . 1 . 2]" 1
1021 1 36 ILE MD 1 113 ALA H . . 5.500 5.084 4.942 5.243 . 0 0 "[ . 1 . 2]" 1
1022 1 47 ASN HB2 1 48 LEU H . . 4.610 3.745 3.508 3.892 . 0 0 "[ . 1 . 2]" 1
1023 1 48 LEU H 1 60 GLU HB2 . . 5.500 5.517 5.351 5.589 0.089 18 0 "[ . 1 . 2]" 1
1024 1 32 GLU H 1 36 ILE MD . . 5.500 5.602 5.550 5.652 0.152 13 0 "[ . 1 . 2]" 1
1025 1 104 GLN H 1 105 ALA MB . . 5.040 4.246 4.085 4.347 . 0 0 "[ . 1 . 2]" 1
1026 1 33 GLY H 1 34 GLU H . . 3.790 2.439 2.159 2.567 . 0 0 "[ . 1 . 2]" 1
1027 1 34 GLU H 1 35 VAL HB . . 5.240 4.741 4.448 4.972 . 0 0 "[ . 1 . 2]" 1
1028 1 34 GLU H 1 35 VAL HA . . 5.430 5.186 5.098 5.238 . 0 0 "[ . 1 . 2]" 1
1029 1 23 ILE MG 1 89 GLN H . . 4.640 4.681 4.637 4.713 0.073 4 0 "[ . 1 . 2]" 1
1030 1 21 ILE HG13 1 89 GLN H . . 5.260 5.220 4.911 5.290 0.030 17 0 "[ . 1 . 2]" 1
1031 1 74 TYR HA 1 78 THR H . . 5.380 5.199 5.003 5.293 . 0 0 "[ . 1 . 2]" 1
1032 1 77 VAL HA 1 78 THR H . . 2.550 2.351 2.270 2.532 . 0 0 "[ . 1 . 2]" 1
1033 1 32 GLU H 1 34 GLU H . . 4.850 4.156 3.917 4.298 . 0 0 "[ . 1 . 2]" 1
1034 1 28 ILE H 1 30 VAL H . . 4.370 3.726 3.352 4.032 . 0 0 "[ . 1 . 2]" 1
1035 1 28 ILE H 1 84 GLN HE22 . . 5.010 4.676 3.789 5.043 0.033 16 0 "[ . 1 . 2]" 1
1036 1 28 ILE H 1 52 LYS QE . . 5.500 5.311 4.897 5.571 0.071 7 0 "[ . 1 . 2]" 1
1037 1 28 ILE H 1 28 ILE HB . . 3.170 2.992 2.859 3.171 0.001 7 0 "[ . 1 . 2]" 1
1038 1 28 ILE H 1 30 VAL MG2 . . 5.500 4.940 4.183 5.553 0.053 15 0 "[ . 1 . 2]" 1
1039 1 28 ILE H 1 28 ILE MG . . 2.920 1.766 1.664 1.889 . 0 0 "[ . 1 . 2]" 1
1040 1 6 LYS H 1 6 LYS QB . . 3.710 2.443 2.160 2.812 . 0 0 "[ . 1 . 2]" 1
1041 1 15 GLY QA 1 16 VAL H . . 2.990 2.566 2.129 2.993 0.003 5 0 "[ . 1 . 2]" 1
1042 1 6 LYS HA 1 7 PHE H . . 3.470 3.176 2.149 3.482 0.012 19 0 "[ . 1 . 2]" 1
1043 1 7 PHE H 1 8 LYS QD . . 4.250 3.476 2.669 4.343 0.093 18 0 "[ . 1 . 2]" 1
1044 1 7 PHE H 1 7 PHE QD . . 4.880 2.843 1.954 3.910 . 0 0 "[ . 1 . 2]" 1
1045 1 65 GLU H 1 68 ASN QB . . 5.040 4.406 4.382 4.436 . 0 0 "[ . 1 . 2]" 1
1046 1 63 THR H 1 65 GLU H . . 5.500 5.166 5.087 5.215 . 0 0 "[ . 1 . 2]" 1
1047 1 63 THR HB 1 65 GLU H . . 3.380 2.769 2.702 2.829 . 0 0 "[ . 1 . 2]" 1
1048 1 65 GLU H 1 65 GLU HG3 . . 4.250 3.200 3.166 3.241 . 0 0 "[ . 1 . 2]" 1
1049 1 64 GLU HB3 1 65 GLU H . . 3.140 2.903 2.797 3.042 . 0 0 "[ . 1 . 2]" 1
1050 1 65 GLU H 1 67 ALA H . . 4.890 4.053 3.950 4.186 . 0 0 "[ . 1 . 2]" 1
1051 1 111 LEU HA 1 115 ASN H . . 5.220 4.898 4.536 5.221 0.001 8 0 "[ . 1 . 2]" 1
1052 1 89 GLN HA 1 90 PHE H . . 3.040 2.514 2.424 2.605 . 0 0 "[ . 1 . 2]" 1
1053 1 89 GLN QG 1 90 PHE H . . 4.280 2.734 1.890 4.209 . 0 0 "[ . 1 . 2]" 1
1054 1 37 SER HA 1 38 LEU H . . 3.570 3.567 3.547 3.590 0.020 7 0 "[ . 1 . 2]" 1
1055 1 35 VAL HA 1 38 LEU H . . 4.220 3.901 3.723 4.056 . 0 0 "[ . 1 . 2]" 1
1056 1 38 LEU H 1 38 LEU HG . . 2.780 2.137 1.919 2.241 . 0 0 "[ . 1 . 2]" 1
1057 1 38 LEU H 1 38 LEU MD2 . . 3.660 2.966 2.855 3.532 . 0 0 "[ . 1 . 2]" 1
1058 1 38 LEU HA 1 40 LEU H . . 4.650 3.976 3.858 4.080 . 0 0 "[ . 1 . 2]" 1
1059 1 111 LEU H 1 114 VAL MG2 . . 5.500 4.713 4.595 4.785 . 0 0 "[ . 1 . 2]" 1
1060 1 111 LEU H 1 114 VAL MG1 . . 5.500 4.802 4.723 4.884 . 0 0 "[ . 1 . 2]" 1
1061 1 36 ILE MD 1 111 LEU H . . 4.060 3.934 3.538 4.105 0.045 10 0 "[ . 1 . 2]" 1
1062 1 20 VAL H 1 67 ALA MB . . 4.320 3.813 3.606 4.120 . 0 0 "[ . 1 . 2]" 1
1063 1 56 GLN HB2 1 57 ALA H . . 4.560 3.748 3.584 4.091 . 0 0 "[ . 1 . 2]" 1
1064 1 56 GLN HB3 1 57 ALA H . . 4.560 2.635 2.347 3.729 . 0 0 "[ . 1 . 2]" 1
1065 1 33 GLY HA3 1 35 VAL H . . 5.150 4.899 4.689 5.025 . 0 0 "[ . 1 . 2]" 1
1066 1 112 GLN H 1 114 VAL MG1 . . 5.500 4.813 4.729 4.950 . 0 0 "[ . 1 . 2]" 1
1067 1 35 VAL H 1 36 ILE H . . 3.280 2.608 2.521 2.724 . 0 0 "[ . 1 . 2]" 1
1068 1 32 GLU HA 1 35 VAL H . . 3.990 3.559 3.308 3.720 . 0 0 "[ . 1 . 2]" 1
1069 1 64 GLU HA 1 67 ALA H . . 4.290 3.302 3.171 3.571 . 0 0 "[ . 1 . 2]" 1
1070 1 67 ALA H 1 69 THR H . . 4.590 4.223 4.170 4.334 . 0 0 "[ . 1 . 2]" 1
1071 1 43 GLY HA3 1 44 LYS H . . 3.180 2.594 2.508 2.682 . 0 0 "[ . 1 . 2]" 1
1072 1 44 LYS H 1 62 ASN HB2 . . 5.500 5.221 4.863 5.531 0.031 18 0 "[ . 1 . 2]" 1
1073 1 44 LYS H 1 63 THR MG . . 4.200 3.973 3.698 4.226 0.026 19 0 "[ . 1 . 2]" 1
1074 1 44 LYS H 1 62 ASN HB3 . . 4.760 3.981 3.673 4.229 . 0 0 "[ . 1 . 2]" 1
1075 1 67 ALA H 1 68 ASN QB . . 4.470 4.129 4.092 4.210 . 0 0 "[ . 1 . 2]" 1
1076 1 72 ASN H 1 72 ASN HA . . 2.940 2.841 2.822 2.860 . 0 0 "[ . 1 . 2]" 1
1077 1 72 ASN H 1 72 ASN HB3 . . 2.990 2.420 2.310 2.458 . 0 0 "[ . 1 . 2]" 1
1078 1 72 ASN H 1 72 ASN HB2 . . 2.990 2.507 2.470 2.527 . 0 0 "[ . 1 . 2]" 1
1079 1 44 LYS H 1 62 ASN H . . 4.970 4.440 4.207 4.679 . 0 0 "[ . 1 . 2]" 1
1080 1 72 ASN H 1 72 ASN HD21 . . 4.790 4.575 4.459 4.632 . 0 0 "[ . 1 . 2]" 1
1081 1 33 GLY HA2 1 36 ILE H . . 3.870 3.398 3.145 3.543 . 0 0 "[ . 1 . 2]" 1
1082 1 70 MET HA 1 72 ASN H . . 5.040 4.543 4.374 4.591 . 0 0 "[ . 1 . 2]" 1
1083 1 69 THR MG 1 72 ASN H . . 4.800 4.631 4.462 4.682 . 0 0 "[ . 1 . 2]" 1
1084 1 67 ALA HA 1 71 VAL H . . 4.690 4.163 4.034 4.263 . 0 0 "[ . 1 . 2]" 1
1085 1 58 PHE HA 1 59 ILE H . . 3.130 2.272 2.228 2.306 . 0 0 "[ . 1 . 2]" 1
1086 1 20 VAL HA 1 59 ILE H . . 4.870 4.481 4.315 4.624 . 0 0 "[ . 1 . 2]" 1
1087 1 59 ILE H 1 59 ILE HG13 . . 3.410 2.478 2.429 2.537 . 0 0 "[ . 1 . 2]" 1
1088 1 28 ILE MG 1 29 ASP H . . 2.930 1.946 1.726 2.300 . 0 0 "[ . 1 . 2]" 1
1089 1 29 ASP H 1 30 VAL H . . 3.020 2.712 2.466 2.997 . 0 0 "[ . 1 . 2]" 1
1090 1 30 VAL H 1 31 THR H . . 4.730 4.609 4.533 4.681 . 0 0 "[ . 1 . 2]" 1
1091 1 29 ASP HA 1 30 VAL H . . 3.480 3.274 3.152 3.440 . 0 0 "[ . 1 . 2]" 1
1092 1 28 ILE HA 1 30 VAL H . . 3.660 3.682 3.572 3.793 0.133 3 0 "[ . 1 . 2]" 1
1093 1 30 VAL H 1 52 LYS QE . . 4.890 4.078 3.240 4.908 0.018 14 0 "[ . 1 . 2]" 1
1094 1 30 VAL H 1 82 ARG QB . . 5.110 4.932 4.363 5.160 0.050 4 0 "[ . 1 . 2]" 1
1095 1 28 ILE MG 1 30 VAL H . . 4.270 4.168 4.076 4.324 0.054 10 0 "[ . 1 . 2]" 1
1096 1 79 PRO HG2 1 87 TYR H . . 5.490 5.531 5.493 5.567 0.077 19 0 "[ . 1 . 2]" 1
1097 1 86 ILE MG 1 87 TYR H . . 4.000 3.805 3.721 3.900 . 0 0 "[ . 1 . 2]" 1
1098 1 66 ALA HA 1 69 THR H . . 4.280 3.649 3.545 3.740 . 0 0 "[ . 1 . 2]" 1
1099 1 65 GLU HA 1 69 THR H . . 4.020 3.795 3.647 3.967 . 0 0 "[ . 1 . 2]" 1
1100 1 68 ASN H 1 70 MET H . . 4.830 4.080 4.003 4.145 . 0 0 "[ . 1 . 2]" 1
1101 1 67 ALA H 1 68 ASN H . . 3.280 2.504 2.472 2.577 . 0 0 "[ . 1 . 2]" 1
1102 1 66 ALA HA 1 68 ASN H . . 4.780 4.468 4.426 4.526 . 0 0 "[ . 1 . 2]" 1
1103 1 65 GLU HA 1 68 ASN H . . 3.610 3.225 3.173 3.272 . 0 0 "[ . 1 . 2]" 1
1104 1 64 GLU HA 1 68 ASN H . . 4.300 3.911 3.782 4.214 . 0 0 "[ . 1 . 2]" 1
1105 1 68 ASN H 1 68 ASN QB . . 3.000 2.121 2.111 2.132 . 0 0 "[ . 1 . 2]" 1
1106 1 68 ASN HD22 1 69 THR H . . 4.900 4.878 4.819 4.910 0.010 7 0 "[ . 1 . 2]" 1
1107 1 62 ASN H 1 62 ASN HD21 . . 4.600 4.444 4.358 4.557 . 0 0 "[ . 1 . 2]" 1
1108 1 61 MET HA 1 62 ASN H . . 3.010 2.389 2.292 2.538 . 0 0 "[ . 1 . 2]" 1
1109 1 62 ASN H 1 62 ASN HB3 . . 3.380 2.357 2.297 2.435 . 0 0 "[ . 1 . 2]" 1
1110 1 62 ASN H 1 62 ASN HB2 . . 3.330 2.623 2.589 2.721 . 0 0 "[ . 1 . 2]" 1
1111 1 20 VAL HB 1 91 SER H . . 3.330 3.397 3.369 3.447 0.117 14 0 "[ . 1 . 2]" 1
1112 1 62 ASN H 1 63 THR MG . . 4.390 3.957 3.835 4.119 . 0 0 "[ . 1 . 2]" 1
1113 1 80 VAL HA 1 86 ILE H . . 3.600 3.407 3.069 3.644 0.044 15 0 "[ . 1 . 2]" 1
1114 1 79 PRO HG2 1 86 ILE H . . 3.940 3.287 3.213 3.407 . 0 0 "[ . 1 . 2]" 1
1115 1 79 PRO HB2 1 86 ILE H . . 4.730 4.684 4.614 4.766 0.036 7 0 "[ . 1 . 2]" 1
1116 1 81 LEU H 1 86 ILE H . . 4.590 4.657 4.571 4.703 0.113 12 0 "[ . 1 . 2]" 1
1117 1 30 VAL H 1 82 ARG HE . . 4.200 4.149 3.705 4.361 0.161 3 0 "[ . 1 . 2]" 1
1118 1 82 ARG HA 1 82 ARG HE . . 5.140 4.836 4.152 5.203 0.063 3 0 "[ . 1 . 2]" 1
1119 1 30 VAL HB 1 82 ARG HE . . 4.880 4.247 3.289 4.948 0.068 4 0 "[ . 1 . 2]" 1
1120 1 30 VAL HA 1 82 ARG HE . . 4.150 2.919 1.836 4.162 0.012 2 0 "[ . 1 . 2]" 1
1121 1 74 TYR HA 1 76 SER H . . 5.000 3.259 3.173 3.390 . 0 0 "[ . 1 . 2]" 1
1122 1 57 ALA HA 1 58 PHE H . . 3.480 2.384 2.332 2.443 . 0 0 "[ . 1 . 2]" 1
1123 1 42 PHE HZ 1 74 TYR H . . 5.370 5.042 4.687 5.429 0.059 17 0 "[ . 1 . 2]" 1
1124 1 71 VAL HA 1 74 TYR H . . 3.860 2.974 2.708 3.075 . 0 0 "[ . 1 . 2]" 1
1125 1 70 MET HA 1 74 TYR H . . 4.530 4.158 4.100 4.216 . 0 0 "[ . 1 . 2]" 1
1126 1 26 LEU H 1 57 ALA H . . 5.150 5.126 4.772 5.215 0.065 17 0 "[ . 1 . 2]" 1
1127 1 26 LEU H 1 56 GLN HA . . 4.440 3.173 2.891 3.323 . 0 0 "[ . 1 . 2]" 1
1128 1 26 LEU H 1 55 ASN HA . . 4.240 3.745 3.574 3.957 . 0 0 "[ . 1 . 2]" 1
1129 1 25 LYS QG 1 26 LEU H . . 4.870 4.691 4.503 4.807 . 0 0 "[ . 1 . 2]" 1
1130 1 24 ARG HA 1 26 LEU H . . 4.060 3.045 2.661 3.524 . 0 0 "[ . 1 . 2]" 1
1131 1 25 LYS HA 1 26 LEU H . . 3.450 2.956 2.903 3.068 . 0 0 "[ . 1 . 2]" 1
1132 1 54 LYS HA 1 55 ASN H . . 3.570 2.439 2.231 2.899 . 0 0 "[ . 1 . 2]" 1
1133 1 31 THR H 1 32 GLU H . . 4.760 4.565 4.478 4.625 . 0 0 "[ . 1 . 2]" 1
1134 1 30 VAL HA 1 31 THR H . . 2.970 2.250 2.165 2.353 . 0 0 "[ . 1 . 2]" 1
1135 1 52 LYS HA 1 54 LYS H . . 4.110 2.869 2.614 3.109 . 0 0 "[ . 1 . 2]" 1
1136 1 51 LEU QD 1 54 LYS H . . 4.950 4.508 4.042 4.994 0.044 18 0 "[ . 1 . 2]" 1
1137 1 111 LEU HA 1 114 VAL H . . 3.710 3.309 3.218 3.425 . 0 0 "[ . 1 . 2]" 1
1138 1 110 ALA MB 1 114 VAL H . . 5.120 5.162 5.133 5.189 0.069 5 0 "[ . 1 . 2]" 1
1139 1 114 VAL H 1 115 ASN HA . . 5.500 5.073 4.970 5.142 . 0 0 "[ . 1 . 2]" 1
1140 1 62 ASN HA 1 62 ASN HD22 . . 4.760 4.583 4.534 4.646 . 0 0 "[ . 1 . 2]" 1
1141 1 62 ASN HD22 1 63 THR HA . . 4.870 4.952 4.933 4.981 0.111 19 0 "[ . 1 . 2]" 1
1142 1 62 ASN HB3 1 62 ASN HD22 . . 3.660 3.515 3.501 3.529 . 0 0 "[ . 1 . 2]" 1
1143 1 62 ASN HD21 1 63 THR HA . . 5.300 4.427 4.283 4.563 . 0 0 "[ . 1 . 2]" 1
1144 1 62 ASN HD21 1 63 THR HB . . 5.500 4.698 4.603 4.810 . 0 0 "[ . 1 . 2]" 1
1145 1 62 ASN HA 1 62 ASN HD21 . . 4.500 4.260 4.194 4.322 . 0 0 "[ . 1 . 2]" 1
1146 1 44 LYS QD 1 62 ASN HD21 . . 5.500 5.494 5.409 5.513 0.013 7 0 "[ . 1 . 2]" 1
1147 1 62 ASN HD21 1 63 THR MG . . 3.870 1.940 1.825 2.068 . 0 0 "[ . 1 . 2]" 1
1148 1 25 LYS H 1 55 ASN HB3 . . 5.130 3.400 2.972 3.776 . 0 0 "[ . 1 . 2]" 1
1149 1 18 SER H 1 19 ARG H . . 5.120 4.567 4.381 4.653 . 0 0 "[ . 1 . 2]" 1
1150 1 37 SER H 1 38 LEU HA . . 5.500 5.343 5.300 5.374 . 0 0 "[ . 1 . 2]" 1
1151 1 37 SER H 1 37 SER HA . . 2.910 2.838 2.824 2.860 . 0 0 "[ . 1 . 2]" 1
1152 1 33 GLY HA3 1 37 SER H . . 5.320 4.883 4.690 5.120 . 0 0 "[ . 1 . 2]" 1
1153 1 35 VAL HA 1 37 SER H . . 4.960 4.394 4.219 4.564 . 0 0 "[ . 1 . 2]" 1
1154 1 73 TYR HA 1 75 THR H . . 4.220 3.944 3.702 4.014 . 0 0 "[ . 1 . 2]" 1
1155 1 71 VAL HA 1 75 THR H . . 4.430 3.713 3.622 3.934 . 0 0 "[ . 1 . 2]" 1
1156 1 56 GLN H 1 57 ALA H . . 4.610 4.456 4.416 4.481 . 0 0 "[ . 1 . 2]" 1
1157 1 55 ASN HA 1 56 GLN H . . 3.310 2.661 2.488 2.838 . 0 0 "[ . 1 . 2]" 1
1158 1 29 ASP H 1 84 GLN HE22 . . 5.500 4.976 3.705 5.532 0.032 2 0 "[ . 1 . 2]" 1
1159 1 84 GLN HA 1 84 GLN HE21 . . 5.090 4.762 4.129 5.131 0.041 11 0 "[ . 1 . 2]" 1
1160 1 84 GLN HE21 1 84 GLN QG . . 3.110 2.349 2.165 2.816 . 0 0 "[ . 1 . 2]" 1
1161 1 84 GLN HE22 1 84 GLN QG . . 3.450 3.342 3.257 3.517 0.067 5 0 "[ . 1 . 2]" 1
1162 1 65 GLU HA 1 68 ASN HD21 . . 4.460 2.797 2.774 2.822 . 0 0 "[ . 1 . 2]" 1
1163 1 68 ASN HD21 1 69 THR H . . 4.900 3.870 3.800 3.926 . 0 0 "[ . 1 . 2]" 1
1164 1 65 GLU HA 1 68 ASN HD22 . . 4.460 4.526 4.510 4.541 0.081 10 0 "[ . 1 . 2]" 1
1165 1 72 ASN HD21 1 73 TYR H . . 4.330 4.344 4.329 4.357 0.027 15 0 "[ . 1 . 2]" 1
1166 1 72 ASN HA 1 72 ASN HD21 . . 4.450 4.364 4.326 4.412 . 0 0 "[ . 1 . 2]" 1
1167 1 36 ILE MD 1 115 ASN HD21 . . 4.870 4.866 4.169 4.915 0.045 12 0 "[ . 1 . 2]" 1
1168 1 115 ASN HA 1 115 ASN HD22 . . 4.710 4.414 4.211 4.551 . 0 0 "[ . 1 . 2]" 1
1169 1 36 ILE MD 1 115 ASN HD22 . . 5.250 4.851 3.985 5.106 . 0 0 "[ . 1 . 2]" 1
1170 1 115 ASN HA 1 115 ASN HD21 . . 4.460 4.064 3.803 4.277 . 0 0 "[ . 1 . 2]" 1
1171 1 111 LEU HA 1 115 ASN HD21 . . 4.280 3.240 2.809 3.667 . 0 0 "[ . 1 . 2]" 1
1172 1 111 LEU HA 1 115 ASN HD22 . . 5.100 4.037 3.584 4.638 . 0 0 "[ . 1 . 2]" 1
1173 1 47 ASN HB3 1 47 ASN HD22 . . 4.000 3.803 3.503 3.924 . 0 0 "[ . 1 . 2]" 1
1174 1 42 PHE HA 1 43 GLY H . . 3.450 3.268 3.162 3.424 . 0 0 "[ . 1 . 2]" 1
1175 1 43 GLY H 1 66 ALA HA . . 5.500 5.537 5.414 5.621 0.121 11 0 "[ . 1 . 2]" 1
1176 1 63 THR H 1 66 ALA H . . 4.240 3.983 3.920 4.035 . 0 0 "[ . 1 . 2]" 1
1177 1 62 ASN HB3 1 63 THR H . . 3.850 2.867 2.666 2.977 . 0 0 "[ . 1 . 2]" 1
1178 1 62 ASN HB2 1 63 THR H . . 3.920 4.067 3.959 4.130 0.210 6 0 "[ . 1 . 2]" 1
1179 1 63 THR H 1 64 GLU H . . 4.480 4.536 4.522 4.553 0.073 15 0 "[ . 1 . 2]" 1
1180 1 62 ASN H 1 63 THR H . . 3.410 2.479 2.342 2.616 . 0 0 "[ . 1 . 2]" 1
1181 1 43 GLY HA3 1 63 THR H . . 5.500 5.254 5.057 5.444 . 0 0 "[ . 1 . 2]" 1
1182 1 32 GLU H 1 33 GLY H . . 3.810 2.508 2.275 2.720 . 0 0 "[ . 1 . 2]" 1
1183 1 33 GLY H 1 35 VAL H . . 4.890 4.193 3.844 4.383 . 0 0 "[ . 1 . 2]" 1
1184 1 80 VAL HA 1 83 GLY H . . 5.230 4.987 4.454 5.245 0.015 11 0 "[ . 1 . 2]" 1
1185 1 83 GLY H 1 84 GLN QG . . 4.980 4.573 4.404 4.708 . 0 0 "[ . 1 . 2]" 1
1186 1 82 ARG H 1 83 GLY H . . 4.090 2.749 2.715 2.835 . 0 0 "[ . 1 . 2]" 1
1187 1 81 LEU HA 1 83 GLY H . . 3.970 3.518 3.343 3.691 . 0 0 "[ . 1 . 2]" 1
1188 1 82 ARG HA 1 83 GLY H . . 3.260 2.974 2.877 3.233 . 0 0 "[ . 1 . 2]" 1
1189 1 38 LEU HG 1 39 GLY H . . 3.750 2.693 2.522 3.518 . 0 0 "[ . 1 . 2]" 1
1190 1 4 SER QB 1 5 LYS QG . . 4.390 4.136 3.497 4.516 0.126 3 0 "[ . 1 . 2]" 1
1191 1 5 LYS H 1 5 LYS QG . . 3.830 2.232 1.869 3.417 . 0 0 "[ . 1 . 2]" 1
1192 1 5 LYS HA 1 7 PHE QB . . 5.340 5.035 3.628 5.401 0.061 19 0 "[ . 1 . 2]" 1
1193 1 5 LYS QB 1 7 PHE QB . . 4.680 3.418 2.746 4.714 0.034 20 0 "[ . 1 . 2]" 1
1194 1 5 LYS QE 1 5 LYS QG . . 3.090 2.246 2.085 2.364 . 0 0 "[ . 1 . 2]" 1
1195 1 5 LYS QD 1 7 PHE QD . . 5.340 4.377 2.994 5.371 0.031 10 0 "[ . 1 . 2]" 1
1196 1 6 LYS HA 1 6 LYS QG . . 3.190 2.682 2.329 3.310 0.120 14 0 "[ . 1 . 2]" 1
1197 1 6 LYS QE 1 6 LYS QG . . 3.340 2.438 2.103 2.889 . 0 0 "[ . 1 . 2]" 1
1198 1 8 LYS HA 1 17 PRO QB . . 4.890 3.785 2.226 4.558 . 0 0 "[ . 1 . 2]" 1
1199 1 8 LYS QB 1 17 PRO QD . . 4.300 3.962 3.003 4.336 0.036 6 0 "[ . 1 . 2]" 1
1200 1 9 GLY H 1 17 PRO QD . . 4.140 3.056 1.866 3.882 . 0 0 "[ . 1 . 2]" 1
1201 1 10 ASP QB 1 11 SER HA . . 4.740 4.417 3.996 4.551 . 0 0 "[ . 1 . 2]" 1
1202 1 10 ASP QB 1 11 SER QB . . 4.960 4.300 3.661 4.777 . 0 0 "[ . 1 . 2]" 1
1203 1 14 ALA HA 1 16 VAL QG . . 4.620 3.804 2.609 4.674 0.054 7 0 "[ . 1 . 2]" 1
1204 1 14 ALA HA 1 71 VAL QG . . 5.440 4.152 3.156 5.020 . 0 0 "[ . 1 . 2]" 1
1205 1 14 ALA MB 1 71 VAL QG . . 5.440 3.779 2.726 5.255 . 0 0 "[ . 1 . 2]" 1
1206 1 15 GLY QA 1 16 VAL QG . . 4.090 3.498 2.956 4.118 0.028 4 0 "[ . 1 . 2]" 1
1207 1 16 VAL H 1 16 VAL QG . . 2.580 2.124 1.696 2.454 . 0 0 "[ . 1 . 2]" 1
1208 1 16 VAL H 1 17 PRO QD . . 4.800 4.277 3.979 4.372 . 0 0 "[ . 1 . 2]" 1
1209 1 16 VAL HA 1 16 VAL QG . . 2.660 2.419 2.295 2.481 . 0 0 "[ . 1 . 2]" 1
1210 1 16 VAL HA 1 17 PRO QB . . 5.230 4.483 4.419 4.535 . 0 0 "[ . 1 . 2]" 1
1211 1 16 VAL HA 1 17 PRO QD . . 2.960 2.040 1.912 2.135 . 0 0 "[ . 1 . 2]" 1
1212 1 16 VAL HB 1 17 PRO QD . . 3.450 2.573 1.917 3.599 0.149 1 0 "[ . 1 . 2]" 1
1213 1 16 VAL QG 1 17 PRO QB . . 5.150 4.342 3.996 4.539 . 0 0 "[ . 1 . 2]" 1
1214 1 16 VAL QG 1 17 PRO HG2 . . 3.930 3.722 3.021 4.014 0.084 16 0 "[ . 1 . 2]" 1
1215 1 16 VAL QG 1 17 PRO QD . . 3.510 2.554 1.845 2.944 . 0 0 "[ . 1 . 2]" 1
1216 1 16 VAL QG 1 18 SER H . . 4.630 1.874 1.562 2.137 . 0 0 "[ . 1 . 2]" 1
1217 1 16 VAL QG 1 18 SER HA . . 5.150 3.880 3.602 4.012 . 0 0 "[ . 1 . 2]" 1
1218 1 16 VAL QG 1 18 SER QB . . 4.910 2.883 1.985 3.646 . 0 0 "[ . 1 . 2]" 1
1219 1 16 VAL QG 1 64 GLU HA . . 5.440 5.485 5.453 5.522 0.082 3 0 "[ . 1 . 2]" 1
1220 1 16 VAL QG 1 64 GLU QG . . 4.640 4.272 4.098 4.435 . 0 0 "[ . 1 . 2]" 1
1221 1 16 VAL QG 1 90 PHE HZ . . 5.440 3.855 3.364 4.666 . 0 0 "[ . 1 . 2]" 1
1222 1 17 PRO QB 1 18 SER H . . 4.100 3.616 3.467 4.058 . 0 0 "[ . 1 . 2]" 1
1223 1 17 PRO QB 1 18 SER QB . . 5.180 4.488 3.623 5.098 . 0 0 "[ . 1 . 2]" 1
1224 1 18 SER QB 1 19 ARG H . . 4.400 2.709 2.049 3.557 . 0 0 "[ . 1 . 2]" 1
1225 1 18 SER QB 1 20 VAL H . . 5.340 3.168 2.571 3.873 . 0 0 "[ . 1 . 2]" 1
1226 1 19 ARG H 1 20 VAL QG . . 3.710 2.639 2.469 3.421 . 0 0 "[ . 1 . 2]" 1
1227 1 19 ARG HA 1 20 VAL QG . . 3.990 4.072 4.002 4.127 0.137 15 0 "[ . 1 . 2]" 1
1228 1 19 ARG HA 1 64 GLU QG . . 4.640 4.143 3.755 4.639 . 0 0 "[ . 1 . 2]" 1
1229 1 19 ARG QB 1 19 ARG QD . . 3.120 2.091 1.917 2.295 . 0 0 "[ . 1 . 2]" 1
1230 1 19 ARG QB 1 63 THR H . . 5.100 4.300 3.961 4.819 . 0 0 "[ . 1 . 2]" 1
1231 1 19 ARG QG 1 20 VAL QG . . 4.980 4.128 3.359 4.682 . 0 0 "[ . 1 . 2]" 1
1232 1 19 ARG QD 1 20 VAL QG . . 4.950 4.872 4.270 5.026 0.076 12 0 "[ . 1 . 2]" 1
1233 1 20 VAL H 1 60 GLU QG . . 4.740 4.196 3.631 4.737 . 0 0 "[ . 1 . 2]" 1
1234 1 20 VAL HA 1 60 GLU QG . . 4.790 2.951 2.361 3.360 . 0 0 "[ . 1 . 2]" 1
1235 1 20 VAL QG 1 21 ILE H . . 4.280 2.373 2.260 2.575 . 0 0 "[ . 1 . 2]" 1
1236 1 20 VAL QG 1 58 PHE HA . . 4.660 4.080 3.889 4.261 . 0 0 "[ . 1 . 2]" 1
1237 1 20 VAL QG 1 58 PHE QB . . 4.530 3.207 3.002 3.471 . 0 0 "[ . 1 . 2]" 1
1238 1 20 VAL QG 1 58 PHE QD . . 4.080 2.857 2.577 3.090 . 0 0 "[ . 1 . 2]" 1
1239 1 20 VAL QG 1 60 GLU HA . . 3.810 2.915 2.394 3.215 . 0 0 "[ . 1 . 2]" 1
1240 1 20 VAL QG 1 60 GLU HB2 . . 4.800 2.878 2.631 3.105 . 0 0 "[ . 1 . 2]" 1
1241 1 20 VAL QG 1 60 GLU HB3 . . 4.450 4.030 3.859 4.206 . 0 0 "[ . 1 . 2]" 1
1242 1 20 VAL QG 1 60 GLU QG . . 3.940 2.035 1.976 2.089 . 0 0 "[ . 1 . 2]" 1
1243 1 20 VAL QG 1 91 SER H . . 4.550 3.709 3.500 3.932 . 0 0 "[ . 1 . 2]" 1
1244 1 20 VAL QG 1 91 SER QB . . 3.530 2.028 1.939 2.193 . 0 0 "[ . 1 . 2]" 1
1245 1 20 VAL QG 1 93 HIS HD2 . . 5.440 4.302 2.533 5.462 0.022 1 0 "[ . 1 . 2]" 1
1246 1 20 VAL QG 1 94 LYS HA . . 5.030 3.296 2.332 4.649 . 0 0 "[ . 1 . 2]" 1
1247 1 20 VAL QG 1 95 GLU H . . 5.280 3.346 2.075 4.686 . 0 0 "[ . 1 . 2]" 1
1248 1 20 VAL QG 1 95 GLU HA . . 3.620 2.573 2.225 3.166 . 0 0 "[ . 1 . 2]" 1
1249 1 20 VAL QG 1 95 GLU QG . . 5.440 4.231 3.170 5.444 0.004 15 0 "[ . 1 . 2]" 1
1250 1 21 ILE H 1 96 LEU QD . . 5.060 3.860 3.697 4.244 . 0 0 "[ . 1 . 2]" 1
1251 1 21 ILE HA 1 71 VAL QG . . 4.940 3.891 3.698 4.148 . 0 0 "[ . 1 . 2]" 1
1252 1 21 ILE HA 1 90 PHE QB . . 5.110 4.369 4.208 4.510 . 0 0 "[ . 1 . 2]" 1
1253 1 21 ILE HB 1 71 VAL QG . . 5.010 4.447 4.342 4.680 . 0 0 "[ . 1 . 2]" 1
1254 1 21 ILE HG12 1 71 VAL QG . . 3.150 2.348 2.221 2.552 . 0 0 "[ . 1 . 2]" 1
1255 1 21 ILE HG13 1 71 VAL QG . . 3.570 2.387 2.246 2.596 . 0 0 "[ . 1 . 2]" 1
1256 1 21 ILE MD 1 61 MET QB . . 4.850 3.683 2.875 4.146 . 0 0 "[ . 1 . 2]" 1
1257 1 21 ILE MD 1 90 PHE QB . . 5.340 4.964 4.742 5.207 . 0 0 "[ . 1 . 2]" 1
1258 1 23 ILE MG 1 87 TYR QB . . 4.660 4.358 4.295 4.493 . 0 0 "[ . 1 . 2]" 1
1259 1 23 ILE QG 1 35 VAL HA . . 5.190 5.114 4.315 5.323 0.133 18 0 "[ . 1 . 2]" 1
1260 1 23 ILE QG 1 89 GLN H . . 4.980 4.398 3.976 5.081 0.101 20 0 "[ . 1 . 2]" 1
1261 1 24 ARG H 1 24 ARG QB . . 3.290 2.736 2.289 3.235 . 0 0 "[ . 1 . 2]" 1
1262 1 24 ARG H 1 26 LEU QD . . 5.440 4.832 4.228 5.196 . 0 0 "[ . 1 . 2]" 1
1263 1 24 ARG HA 1 24 ARG QD . . 4.720 4.035 3.422 4.246 . 0 0 "[ . 1 . 2]" 1
1264 1 24 ARG QB 1 24 ARG QD . . 3.160 2.222 2.053 2.364 . 0 0 "[ . 1 . 2]" 1
1265 1 24 ARG QB 1 25 LYS H . . 4.440 2.849 2.266 3.670 . 0 0 "[ . 1 . 2]" 1
1266 1 24 ARG QG 1 87 TYR QB . . 4.150 3.198 2.042 4.181 0.031 19 0 "[ . 1 . 2]" 1
1267 1 24 ARG QD 1 87 TYR QD . . 5.340 5.147 4.678 5.367 0.027 12 0 "[ . 1 . 2]" 1
1268 1 25 LYS H 1 26 LEU QD . . 5.440 5.434 5.336 5.479 0.039 9 0 "[ . 1 . 2]" 1
1269 1 25 LYS H 1 56 GLN QG . . 4.390 3.435 2.803 4.407 0.017 7 0 "[ . 1 . 2]" 1
1270 1 25 LYS HA 1 25 LYS QD . . 3.580 2.114 1.967 3.653 0.073 7 0 "[ . 1 . 2]" 1
1271 1 25 LYS QG 1 87 TYR QB . . 5.340 3.840 3.437 4.635 . 0 0 "[ . 1 . 2]" 1
1272 1 26 LEU H 1 26 LEU QD . . 3.800 3.604 3.483 3.634 . 0 0 "[ . 1 . 2]" 1
1273 1 26 LEU H 1 55 ASN QB . . 3.460 2.720 2.532 2.902 . 0 0 "[ . 1 . 2]" 1
1274 1 26 LEU H 1 56 GLN QG . . 4.610 4.097 3.665 4.712 0.102 1 0 "[ . 1 . 2]" 1
1275 1 26 LEU HA 1 26 LEU QD . . 2.930 2.242 1.961 2.514 . 0 0 "[ . 1 . 2]" 1
1276 1 26 LEU HA 1 27 PRO QB . . 5.230 4.701 4.637 4.827 . 0 0 "[ . 1 . 2]" 1
1277 1 26 LEU QB 1 55 ASN QB . . 4.370 3.305 3.046 3.649 . 0 0 "[ . 1 . 2]" 1
1278 1 26 LEU QD 1 27 PRO QB . . 5.210 4.348 3.622 4.549 . 0 0 "[ . 1 . 2]" 1
1279 1 26 LEU QD 1 27 PRO HD2 . . 3.230 2.146 1.824 2.444 . 0 0 "[ . 1 . 2]" 1
1280 1 26 LEU QD 1 27 PRO HD3 . . 3.580 3.117 2.318 3.519 . 0 0 "[ . 1 . 2]" 1
1281 1 26 LEU QD 1 35 VAL H . . 5.440 4.758 4.399 5.055 . 0 0 "[ . 1 . 2]" 1
1282 1 26 LEU QD 1 50 MET QG . . 4.840 4.091 3.774 4.717 . 0 0 "[ . 1 . 2]" 1
1283 1 26 LEU QD 1 50 MET ME . . 2.740 2.303 2.007 2.666 . 0 0 "[ . 1 . 2]" 1
1284 1 26 LEU QD 1 52 LYS QE . . 4.640 3.111 2.104 4.287 . 0 0 "[ . 1 . 2]" 1
1285 1 26 LEU QD 1 55 ASN HA . . 4.080 3.517 3.279 4.079 . 0 0 "[ . 1 . 2]" 1
1286 1 26 LEU QD 1 55 ASN QB . . 5.280 4.444 4.293 4.718 . 0 0 "[ . 1 . 2]" 1
1287 1 26 LEU QD 1 56 GLN H . . 4.320 3.387 2.903 4.198 . 0 0 "[ . 1 . 2]" 1
1288 1 26 LEU QD 1 56 GLN HA . . 4.750 3.565 3.429 3.941 . 0 0 "[ . 1 . 2]" 1
1289 1 26 LEU QD 1 57 ALA H . . 4.080 3.637 3.457 4.087 0.007 5 0 "[ . 1 . 2]" 1
1290 1 26 LEU QD 1 57 ALA HA . . 4.490 3.556 3.259 4.454 . 0 0 "[ . 1 . 2]" 1
1291 1 27 PRO HA 1 30 VAL QG . . 5.110 4.516 3.819 4.716 . 0 0 "[ . 1 . 2]" 1
1292 1 27 PRO QB 1 28 ILE HA . . 5.260 4.541 4.213 4.668 . 0 0 "[ . 1 . 2]" 1
1293 1 27 PRO QB 1 29 ASP QB . . 4.930 4.499 3.458 4.959 0.029 9 0 "[ . 1 . 2]" 1
1294 1 27 PRO QB 1 30 VAL QG . . 3.190 2.641 1.931 3.108 . 0 0 "[ . 1 . 2]" 1
1295 1 27 PRO QB 1 81 LEU QB . . 4.300 3.919 3.805 4.063 . 0 0 "[ . 1 . 2]" 1
1296 1 27 PRO QB 1 84 GLN H . . 5.040 4.985 4.741 5.142 0.102 5 0 "[ . 1 . 2]" 1
1297 1 27 PRO QB 1 86 ILE MG . . 4.990 3.722 3.620 3.935 . 0 0 "[ . 1 . 2]" 1
1298 1 27 PRO QB 1 86 ILE MD . . 5.340 4.860 4.770 4.969 . 0 0 "[ . 1 . 2]" 1
1299 1 27 PRO HG2 1 30 VAL QG . . 3.260 1.949 1.906 2.035 . 0 0 "[ . 1 . 2]" 1
1300 1 27 PRO HG2 1 81 LEU QD . . 3.090 2.996 2.684 3.134 0.044 10 0 "[ . 1 . 2]" 1
1301 1 27 PRO HG3 1 30 VAL QG . . 4.340 2.764 2.344 3.442 . 0 0 "[ . 1 . 2]" 1
1302 1 27 PRO HD2 1 30 VAL QG . . 4.130 2.863 2.020 3.365 . 0 0 "[ . 1 . 2]" 1
1303 1 27 PRO HD2 1 81 LEU QB . . 4.870 3.452 3.073 3.677 . 0 0 "[ . 1 . 2]" 1
1304 1 27 PRO HD2 1 81 LEU QD . . 3.590 2.442 2.106 2.872 . 0 0 "[ . 1 . 2]" 1
1305 1 27 PRO HD2 1 84 GLN QB . . 5.340 4.916 4.666 5.137 . 0 0 "[ . 1 . 2]" 1
1306 1 27 PRO HD3 1 30 VAL QG . . 5.220 3.805 3.215 4.010 . 0 0 "[ . 1 . 2]" 1
1307 1 27 PRO HD3 1 81 LEU QB . . 4.660 3.706 3.239 3.936 . 0 0 "[ . 1 . 2]" 1
1308 1 27 PRO HD3 1 81 LEU QD . . 3.930 3.214 2.688 3.710 . 0 0 "[ . 1 . 2]" 1
1309 1 27 PRO HD3 1 84 GLN QB . . 5.340 3.927 3.486 4.646 . 0 0 "[ . 1 . 2]" 1
1310 1 28 ILE H 1 29 ASP QB . . 5.180 4.393 3.993 4.662 . 0 0 "[ . 1 . 2]" 1
1311 1 28 ILE H 1 30 VAL QG . . 4.620 4.446 3.882 4.654 0.034 4 0 "[ . 1 . 2]" 1
1312 1 28 ILE HA 1 28 ILE QG . . 3.160 2.669 2.419 3.093 . 0 0 "[ . 1 . 2]" 1
1313 1 28 ILE HA 1 30 VAL QG . . 5.360 4.539 3.635 4.867 . 0 0 "[ . 1 . 2]" 1
1314 1 28 ILE MG 1 29 ASP QB . . 3.530 3.050 2.777 3.266 . 0 0 "[ . 1 . 2]" 1
1315 1 28 ILE QG 1 29 ASP H . . 3.220 3.117 2.915 3.246 0.026 5 0 "[ . 1 . 2]" 1
1316 1 28 ILE QG 1 29 ASP HA . . 5.090 3.201 3.044 3.290 . 0 0 "[ . 1 . 2]" 1
1317 1 28 ILE QG 1 29 ASP QB . . 4.240 3.823 3.392 4.263 0.023 14 0 "[ . 1 . 2]" 1
1318 1 28 ILE QG 1 30 VAL H . . 4.720 4.454 4.368 4.560 . 0 0 "[ . 1 . 2]" 1
1319 1 29 ASP H 1 29 ASP QB . . 3.320 2.384 2.133 2.731 . 0 0 "[ . 1 . 2]" 1
1320 1 29 ASP H 1 30 VAL QG . . 5.110 4.214 3.355 4.616 . 0 0 "[ . 1 . 2]" 1
1321 1 29 ASP QB 1 30 VAL H . . 3.870 3.613 3.204 3.883 0.013 9 0 "[ . 1 . 2]" 1
1322 1 29 ASP QB 1 30 VAL HB . . 5.340 5.017 4.502 5.411 0.071 3 0 "[ . 1 . 2]" 1
1323 1 29 ASP QB 1 30 VAL QG . . 4.900 4.211 3.199 4.679 . 0 0 "[ . 1 . 2]" 1
1324 1 30 VAL H 1 30 VAL QG . . 2.810 2.670 1.863 2.835 0.025 18 0 "[ . 1 . 2]" 1
1325 1 30 VAL H 1 81 LEU QD . . 5.440 5.447 5.053 5.528 0.088 20 0 "[ . 1 . 2]" 1
1326 1 30 VAL H 1 82 ARG QD . . 5.040 4.024 3.203 4.583 . 0 0 "[ . 1 . 2]" 1
1327 1 30 VAL HA 1 81 LEU QB . . 5.340 4.566 4.169 5.146 . 0 0 "[ . 1 . 2]" 1
1328 1 30 VAL HA 1 82 ARG QD . . 4.560 2.551 1.860 3.852 . 0 0 "[ . 1 . 2]" 1
1329 1 30 VAL HB 1 82 ARG QD . . 3.960 3.934 2.633 4.071 0.111 11 0 "[ . 1 . 2]" 1
1330 1 30 VAL QG 1 31 THR H . . 3.230 2.410 1.982 2.834 . 0 0 "[ . 1 . 2]" 1
1331 1 30 VAL QG 1 34 GLU H . . 4.360 3.836 3.583 4.381 0.021 10 0 "[ . 1 . 2]" 1
1332 1 30 VAL QG 1 34 GLU HA . . 5.440 4.623 4.364 5.182 . 0 0 "[ . 1 . 2]" 1
1333 1 30 VAL QG 1 34 GLU QB . . 3.090 2.198 1.951 2.801 . 0 0 "[ . 1 . 2]" 1
1334 1 30 VAL QG 1 34 GLU QG . . 3.950 2.616 2.159 3.695 . 0 0 "[ . 1 . 2]" 1
1335 1 30 VAL QG 1 35 VAL H . . 3.890 3.686 3.293 3.938 0.048 17 0 "[ . 1 . 2]" 1
1336 1 30 VAL QG 1 82 ARG HA . . 5.150 4.073 3.630 4.730 . 0 0 "[ . 1 . 2]" 1
1337 1 30 VAL QG 1 82 ARG QD . . 3.160 2.181 1.893 2.825 . 0 0 "[ . 1 . 2]" 1
1338 1 30 VAL QG 1 84 GLN H . . 4.390 4.417 4.286 4.512 0.122 10 0 "[ . 1 . 2]" 1
1339 1 30 VAL QG 1 84 GLN QB . . 3.890 3.878 3.700 3.955 0.065 17 0 "[ . 1 . 2]" 1
1340 1 31 THR H 1 34 GLU QB . . 4.510 3.253 2.155 3.770 . 0 0 "[ . 1 . 2]" 1
1341 1 31 THR H 1 35 VAL QG . . 5.440 4.958 4.255 5.435 . 0 0 "[ . 1 . 2]" 1
1342 1 31 THR H 1 81 LEU QD . . 5.440 4.859 4.366 5.384 . 0 0 "[ . 1 . 2]" 1
1343 1 32 GLU H 1 32 GLU QG . . 4.660 3.047 1.815 3.260 . 0 0 "[ . 1 . 2]" 1
1344 1 32 GLU H 1 48 LEU QD . . 5.050 4.678 4.386 5.066 0.016 12 0 "[ . 1 . 2]" 1
1345 1 32 GLU HA 1 32 GLU QG . . 3.570 2.527 2.313 3.463 . 0 0 "[ . 1 . 2]" 1
1346 1 32 GLU HA 1 35 VAL QG . . 3.350 2.779 2.077 3.377 0.027 10 0 "[ . 1 . 2]" 1
1347 1 32 GLU HA 1 48 LEU QD . . 3.410 2.935 2.522 3.281 . 0 0 "[ . 1 . 2]" 1
1348 1 32 GLU HA 1 50 MET QG . . 3.450 3.040 2.240 3.555 0.105 16 0 "[ . 1 . 2]" 1
1349 1 32 GLU QB 1 36 ILE MD . . 4.290 3.488 3.125 4.295 0.005 13 0 "[ . 1 . 2]" 1
1350 1 32 GLU QB 1 48 LEU QD . . 2.890 2.020 1.918 2.274 . 0 0 "[ . 1 . 2]" 1
1351 1 32 GLU QB 1 107 ALA HA . . 4.720 2.981 2.309 3.392 . 0 0 "[ . 1 . 2]" 1
1352 1 32 GLU QG 1 35 VAL QG . . 4.840 4.210 3.521 4.886 0.046 17 0 "[ . 1 . 2]" 1
1353 1 32 GLU QG 1 48 LEU QD . . 3.440 2.823 2.261 3.446 0.006 17 0 "[ . 1 . 2]" 1
1354 1 32 GLU QG 1 107 ALA H . . 5.220 3.984 3.210 4.481 . 0 0 "[ . 1 . 2]" 1
1355 1 32 GLU QG 1 107 ALA HA . . 3.740 2.418 2.080 3.104 . 0 0 "[ . 1 . 2]" 1
1356 1 32 GLU QG 1 110 ALA MB . . 3.210 2.829 1.817 3.242 0.032 7 0 "[ . 1 . 2]" 1
1357 1 33 GLY H 1 48 LEU QD . . 5.160 4.701 4.296 5.173 0.013 7 0 "[ . 1 . 2]" 1
1358 1 33 GLY HA2 1 36 ILE QG . . 4.410 3.534 2.283 3.776 . 0 0 "[ . 1 . 2]" 1
1359 1 33 GLY HA3 1 36 ILE QG . . 5.340 5.102 3.786 5.336 . 0 0 "[ . 1 . 2]" 1
1360 1 34 GLU H 1 35 VAL QG . . 4.080 3.620 3.228 3.875 . 0 0 "[ . 1 . 2]" 1
1361 1 34 GLU HA 1 81 LEU QD . . 4.360 3.527 3.153 4.436 0.076 17 0 "[ . 1 . 2]" 1
1362 1 34 GLU QB 1 35 VAL QG . . 5.000 3.203 2.923 3.828 . 0 0 "[ . 1 . 2]" 1
1363 1 34 GLU QB 1 37 SER QB . . 4.930 3.840 3.448 4.267 . 0 0 "[ . 1 . 2]" 1
1364 1 34 GLU QB 1 81 LEU QD . . 3.780 2.158 1.871 3.203 . 0 0 "[ . 1 . 2]" 1
1365 1 34 GLU QG 1 81 LEU QB . . 5.010 3.487 2.048 4.768 . 0 0 "[ . 1 . 2]" 1
1366 1 34 GLU QG 1 81 LEU QD . . 4.140 3.399 1.883 4.138 . 0 0 "[ . 1 . 2]" 1
1367 1 35 VAL H 1 35 VAL QG . . 2.790 1.920 1.717 2.113 . 0 0 "[ . 1 . 2]" 1
1368 1 35 VAL H 1 36 ILE QG . . 4.990 4.228 3.448 4.392 . 0 0 "[ . 1 . 2]" 1
1369 1 35 VAL H 1 48 LEU QD . . 5.440 4.078 3.862 4.465 . 0 0 "[ . 1 . 2]" 1
1370 1 35 VAL H 1 81 LEU QD . . 4.370 3.537 2.916 4.030 . 0 0 "[ . 1 . 2]" 1
1371 1 35 VAL HA 1 35 VAL QG . . 2.700 2.153 2.056 2.381 . 0 0 "[ . 1 . 2]" 1
1372 1 35 VAL HA 1 38 LEU QD . . 3.180 2.078 1.930 2.697 . 0 0 "[ . 1 . 2]" 1
1373 1 35 VAL HA 1 81 LEU QD . . 3.180 2.778 2.120 3.139 . 0 0 "[ . 1 . 2]" 1
1374 1 35 VAL QG 1 36 ILE QG . . 4.360 3.268 2.084 3.656 . 0 0 "[ . 1 . 2]" 1
1375 1 35 VAL QG 1 37 SER H . . 4.840 4.554 3.990 4.774 . 0 0 "[ . 1 . 2]" 1
1376 1 35 VAL QG 1 50 MET QG . . 3.720 3.105 2.103 3.671 . 0 0 "[ . 1 . 2]" 1
1377 1 35 VAL QG 1 50 MET ME . . 2.730 2.199 1.945 2.755 0.025 20 0 "[ . 1 . 2]" 1
1378 1 35 VAL QG 1 57 ALA H . . 5.440 5.037 4.759 5.416 . 0 0 "[ . 1 . 2]" 1
1379 1 35 VAL QG 1 57 ALA HA . . 5.210 4.144 4.040 4.351 . 0 0 "[ . 1 . 2]" 1
1380 1 36 ILE H 1 36 ILE QG . . 4.010 2.361 1.700 2.500 . 0 0 "[ . 1 . 2]" 1
1381 1 36 ILE H 1 38 LEU QD . . 5.290 4.441 4.268 4.708 . 0 0 "[ . 1 . 2]" 1
1382 1 36 ILE H 1 48 LEU QD . . 4.980 3.616 3.437 3.988 . 0 0 "[ . 1 . 2]" 1
1383 1 36 ILE HA 1 36 ILE QG . . 3.740 2.473 2.395 2.865 . 0 0 "[ . 1 . 2]" 1
1384 1 36 ILE HA 1 48 LEU QB . . 5.160 4.663 4.432 4.894 . 0 0 "[ . 1 . 2]" 1
1385 1 36 ILE HA 1 48 LEU QD . . 4.270 3.848 3.611 4.109 . 0 0 "[ . 1 . 2]" 1
1386 1 36 ILE QG 1 48 LEU QD . . 3.350 2.165 1.904 2.530 . 0 0 "[ . 1 . 2]" 1
1387 1 36 ILE HG13 1 48 LEU MD1 . . 5.770 2.938 2.425 4.064 . 0 0 "[ . 1 . 2]" 1
1388 1 36 ILE HG13 1 48 LEU MD2 . . 5.770 2.415 2.098 2.957 . 0 0 "[ . 1 . 2]" 1
1389 1 37 SER QB 1 38 LEU QD . . 4.290 4.303 4.283 4.355 0.065 7 0 "[ . 1 . 2]" 1
1390 1 38 LEU H 1 38 LEU QD . . 2.820 2.824 2.764 2.863 0.043 14 0 "[ . 1 . 2]" 1
1391 1 38 LEU H 1 39 GLY QA . . 5.240 4.452 4.357 4.527 . 0 0 "[ . 1 . 2]" 1
1392 1 38 LEU HA 1 38 LEU QD . . 3.270 3.343 3.320 3.365 0.095 17 0 "[ . 1 . 2]" 1
1393 1 38 LEU HA 1 39 GLY QA . . 5.300 4.333 4.283 4.353 . 0 0 "[ . 1 . 2]" 1
1394 1 38 LEU QB 1 38 LEU QD . . 2.700 1.879 1.868 1.893 . 0 0 "[ . 1 . 2]" 1
1395 1 38 LEU QB 1 39 GLY QA . . 4.760 4.353 4.282 4.410 . 0 0 "[ . 1 . 2]" 1
1396 1 38 LEU QB 1 74 TYR QE . . 3.610 3.512 3.124 3.629 0.019 6 0 "[ . 1 . 2]" 1
1397 1 38 LEU QD 1 39 GLY H . . 4.030 3.090 2.390 3.458 . 0 0 "[ . 1 . 2]" 1
1398 1 38 LEU QD 1 39 GLY QA . . 3.350 2.772 2.564 3.019 . 0 0 "[ . 1 . 2]" 1
1399 1 38 LEU QD 1 70 MET ME . . 2.780 1.768 1.722 1.838 . 0 0 "[ . 1 . 2]" 1
1400 1 38 LEU QD 1 74 TYR QD . . 3.880 3.764 3.572 3.917 0.037 7 0 "[ . 1 . 2]" 1
1401 1 38 LEU QD 1 74 TYR QE . . 3.520 2.627 2.362 2.979 . 0 0 "[ . 1 . 2]" 1
1402 1 39 GLY QA 1 40 LEU HA . . 5.010 4.086 4.068 4.118 . 0 0 "[ . 1 . 2]" 1
1403 1 39 GLY QA 1 40 LEU QD . . 5.270 4.718 4.603 5.135 . 0 0 "[ . 1 . 2]" 1
1404 1 39 GLY QA 1 42 PHE H . . 4.430 3.581 3.327 3.764 . 0 0 "[ . 1 . 2]" 1
1405 1 39 GLY QA 1 42 PHE QD . . 4.130 2.975 2.198 3.408 . 0 0 "[ . 1 . 2]" 1
1406 1 39 GLY QA 1 43 GLY H . . 5.340 5.001 4.655 5.190 . 0 0 "[ . 1 . 2]" 1
1407 1 39 GLY QA 1 45 VAL QG . . 3.540 2.765 2.259 3.285 . 0 0 "[ . 1 . 2]" 1
1408 1 39 GLY QA 1 59 ILE MD . . 3.850 3.022 2.925 3.149 . 0 0 "[ . 1 . 2]" 1
1409 1 39 GLY QA 1 61 MET ME . . 3.490 2.654 2.273 3.053 . 0 0 "[ . 1 . 2]" 1
1410 1 39 GLY QA 1 70 MET QB . . 5.070 3.965 3.698 4.111 . 0 0 "[ . 1 . 2]" 1
1411 1 39 GLY QA 1 70 MET ME . . 3.190 2.443 2.096 3.075 . 0 0 "[ . 1 . 2]" 1
1412 1 40 LEU H 1 45 VAL QG . . 4.430 3.668 3.506 3.920 . 0 0 "[ . 1 . 2]" 1
1413 1 41 PRO QG 1 42 PHE H . . 4.470 3.076 2.875 3.295 . 0 0 "[ . 1 . 2]" 1
1414 1 41 PRO QG 1 42 PHE QD . . 4.480 2.655 2.507 2.984 . 0 0 "[ . 1 . 2]" 1
1415 1 42 PHE HB3 1 70 MET QB . . 4.570 2.320 2.232 2.540 . 0 0 "[ . 1 . 2]" 1
1416 1 42 PHE QD 1 70 MET QB . . 4.650 3.672 3.521 3.793 . 0 0 "[ . 1 . 2]" 1
1417 1 42 PHE QD 1 70 MET QG . . 4.830 3.152 2.635 3.412 . 0 0 "[ . 1 . 2]" 1
1418 1 42 PHE QE 1 73 TYR QB . . 4.920 2.373 2.223 2.836 . 0 0 "[ . 1 . 2]" 1
1419 1 42 PHE HZ 1 73 TYR QB . . 3.970 2.692 2.423 2.959 . 0 0 "[ . 1 . 2]" 1
1420 1 44 LYS H 1 44 LYS QG . . 4.100 3.898 3.838 3.982 . 0 0 "[ . 1 . 2]" 1
1421 1 44 LYS H 1 45 VAL QG . . 5.370 4.841 4.668 5.014 . 0 0 "[ . 1 . 2]" 1
1422 1 44 LYS HA 1 44 LYS QG . . 3.220 3.083 3.010 3.165 . 0 0 "[ . 1 . 2]" 1
1423 1 44 LYS HA 1 45 VAL QG . . 3.750 3.520 3.154 3.766 0.016 11 0 "[ . 1 . 2]" 1
1424 1 44 LYS QE 1 44 LYS QG . . 2.480 2.111 1.996 2.278 . 0 0 "[ . 1 . 2]" 1
1425 1 44 LYS QG 1 45 VAL H . . 3.800 3.143 2.732 3.639 . 0 0 "[ . 1 . 2]" 1
1426 1 44 LYS QG 1 46 THR HA . . 5.340 4.447 4.215 5.015 . 0 0 "[ . 1 . 2]" 1
1427 1 44 LYS QG 1 46 THR HB . . 4.100 3.303 2.673 4.244 0.144 4 0 "[ . 1 . 2]" 1
1428 1 44 LYS QG 1 62 ASN H . . 5.050 3.275 3.019 3.574 . 0 0 "[ . 1 . 2]" 1
1429 1 44 LYS QG 1 62 ASN HB2 . . 4.210 2.121 2.020 2.197 . 0 0 "[ . 1 . 2]" 1
1430 1 44 LYS QG 1 62 ASN HB3 . . 3.390 2.570 2.352 2.872 . 0 0 "[ . 1 . 2]" 1
1431 1 44 LYS QG 1 63 THR H . . 4.970 4.863 4.657 5.046 0.076 19 0 "[ . 1 . 2]" 1
1432 1 44 LYS QE 1 114 VAL QG . . 5.210 3.994 3.329 4.903 . 0 0 "[ . 1 . 2]" 1
1433 1 45 VAL H 1 45 VAL QG . . 2.980 2.409 2.078 2.856 . 0 0 "[ . 1 . 2]" 1
1434 1 45 VAL QG 1 46 THR H . . 3.290 2.589 2.359 2.687 . 0 0 "[ . 1 . 2]" 1
1435 1 45 VAL QG 1 47 ASN HA . . 4.690 4.451 4.185 4.672 . 0 0 "[ . 1 . 2]" 1
1436 1 45 VAL QG 1 47 ASN HB2 . . 4.650 4.495 3.996 4.696 0.046 11 0 "[ . 1 . 2]" 1
1437 1 45 VAL QG 1 60 GLU H . . 4.300 2.989 2.619 3.472 . 0 0 "[ . 1 . 2]" 1
1438 1 45 VAL QG 1 61 MET HA . . 3.470 2.943 2.515 3.174 . 0 0 "[ . 1 . 2]" 1
1439 1 47 ASN HA 1 47 ASN QD . . 4.480 3.822 2.974 4.113 . 0 0 "[ . 1 . 2]" 1
1440 1 47 ASN HA 1 48 LEU QB . . 4.650 3.690 3.569 3.788 . 0 0 "[ . 1 . 2]" 1
1441 1 47 ASN HA 1 96 LEU QD . . 4.400 4.464 3.975 4.510 0.110 6 0 "[ . 1 . 2]" 1
1442 1 47 ASN HA 1 111 LEU QB . . 5.340 4.416 4.138 4.869 . 0 0 "[ . 1 . 2]" 1
1443 1 47 ASN HA 1 111 LEU QD . . 2.820 2.186 2.016 2.532 . 0 0 "[ . 1 . 2]" 1
1444 1 47 ASN HB2 1 47 ASN QD . . 3.440 2.444 2.161 3.321 . 0 0 "[ . 1 . 2]" 1
1445 1 47 ASN HB2 1 96 LEU QD . . 3.490 3.412 2.841 3.526 0.036 16 0 "[ . 1 . 2]" 1
1446 1 47 ASN HB2 1 111 LEU QD . . 5.130 4.260 4.091 4.484 . 0 0 "[ . 1 . 2]" 1
1447 1 47 ASN HB3 1 47 ASN QD . . 3.350 2.790 2.183 3.034 . 0 0 "[ . 1 . 2]" 1
1448 1 47 ASN HB3 1 96 LEU QD . . 3.370 2.901 2.388 3.098 . 0 0 "[ . 1 . 2]" 1
1449 1 47 ASN HB3 1 111 LEU QD . . 4.230 3.717 3.470 4.127 . 0 0 "[ . 1 . 2]" 1
1450 1 47 ASN QD 1 48 LEU H . . 5.340 4.701 3.630 5.030 . 0 0 "[ . 1 . 2]" 1
1451 1 47 ASN QD 1 60 GLU HB3 . . 5.180 2.932 1.955 3.941 . 0 0 "[ . 1 . 2]" 1
1452 1 47 ASN QD 1 96 LEU H . . 5.100 3.098 2.781 3.953 . 0 0 "[ . 1 . 2]" 1
1453 1 47 ASN QD 1 96 LEU QB . . 4.030 2.424 2.139 2.841 . 0 0 "[ . 1 . 2]" 1
1454 1 47 ASN QD 1 96 LEU QD . . 3.890 3.836 3.507 3.916 0.026 8 0 "[ . 1 . 2]" 1
1455 1 48 LEU H 1 48 LEU QD . . 4.350 3.955 3.595 4.089 . 0 0 "[ . 1 . 2]" 1
1456 1 48 LEU H 1 111 LEU QD . . 3.830 2.198 1.919 3.002 . 0 0 "[ . 1 . 2]" 1
1457 1 48 LEU HA 1 48 LEU QD . . 3.000 2.340 2.208 2.446 . 0 0 "[ . 1 . 2]" 1
1458 1 48 LEU HA 1 96 LEU QD . . 3.910 3.026 2.373 3.171 . 0 0 "[ . 1 . 2]" 1
1459 1 48 LEU QB 1 49 LEU H . . 4.160 3.737 3.653 3.841 . 0 0 "[ . 1 . 2]" 1
1460 1 48 LEU QB 1 96 LEU QD . . 4.660 4.219 3.758 4.315 . 0 0 "[ . 1 . 2]" 1
1461 1 48 LEU QB 1 107 ALA HA . . 5.340 4.608 3.996 5.125 . 0 0 "[ . 1 . 2]" 1
1462 1 48 LEU HG 1 50 MET QG . . 4.250 3.774 3.134 4.258 0.008 10 0 "[ . 1 . 2]" 1
1463 1 48 LEU QD 1 49 LEU H . . 3.310 2.215 2.058 2.442 . 0 0 "[ . 1 . 2]" 1
1464 1 48 LEU QD 1 50 MET H . . 4.200 3.476 2.658 4.035 . 0 0 "[ . 1 . 2]" 1
1465 1 48 LEU QD 1 50 MET QB . . 4.330 3.582 2.915 4.136 . 0 0 "[ . 1 . 2]" 1
1466 1 48 LEU QD 1 50 MET QG . . 2.990 2.566 1.969 2.997 0.007 6 0 "[ . 1 . 2]" 1
1467 1 48 LEU QD 1 106 ARG QD . . 5.440 5.183 4.495 5.481 0.041 8 0 "[ . 1 . 2]" 1
1468 1 48 LEU QD 1 107 ALA H . . 4.880 4.695 4.357 4.902 0.022 2 0 "[ . 1 . 2]" 1
1469 1 48 LEU QD 1 107 ALA HA . . 3.480 2.570 2.255 3.052 . 0 0 "[ . 1 . 2]" 1
1470 1 48 LEU QD 1 109 ALA H . . 5.420 5.244 4.841 5.436 0.016 3 0 "[ . 1 . 2]" 1
1471 1 48 LEU QD 1 110 ALA H . . 4.670 4.162 3.960 4.369 . 0 0 "[ . 1 . 2]" 1
1472 1 48 LEU QD 1 110 ALA HA . . 5.440 5.084 4.806 5.415 . 0 0 "[ . 1 . 2]" 1
1473 1 48 LEU QD 1 111 LEU H . . 3.670 3.659 3.563 3.703 0.033 7 0 "[ . 1 . 2]" 1
1474 1 48 LEU QD 1 111 LEU QB . . 4.160 4.152 3.125 4.222 0.062 15 0 "[ . 1 . 2]" 1
1475 1 49 LEU H 1 96 LEU QD . . 3.810 2.531 2.172 2.702 . 0 0 "[ . 1 . 2]" 1
1476 1 49 LEU HA 1 49 LEU QD . . 3.810 2.211 2.103 2.296 . 0 0 "[ . 1 . 2]" 1
1477 1 49 LEU QB 1 58 PHE QB . . 4.230 2.234 2.032 2.651 . 0 0 "[ . 1 . 2]" 1
1478 1 49 LEU QB 1 58 PHE QD . . 4.440 3.580 3.296 4.012 . 0 0 "[ . 1 . 2]" 1
1479 1 49 LEU QB 1 96 LEU QD . . 3.870 1.978 1.914 2.439 . 0 0 "[ . 1 . 2]" 1
1480 1 49 LEU QB 1 98 THR HB . . 5.340 5.280 4.927 5.406 0.066 20 0 "[ . 1 . 2]" 1
1481 1 49 LEU QD 1 50 MET H . . 4.260 2.210 1.750 2.781 . 0 0 "[ . 1 . 2]" 1
1482 1 49 LEU QD 1 58 PHE QB . . 4.440 2.875 2.624 3.320 . 0 0 "[ . 1 . 2]" 1
1483 1 49 LEU QD 1 58 PHE QD . . 3.730 2.764 2.429 3.274 . 0 0 "[ . 1 . 2]" 1
1484 1 49 LEU QD 1 98 THR HA . . 4.930 3.241 2.714 3.912 . 0 0 "[ . 1 . 2]" 1
1485 1 49 LEU QD 1 98 THR HB . . 4.180 3.352 2.959 4.094 . 0 0 "[ . 1 . 2]" 1
1486 1 49 LEU QD 1 99 ASP H . . 5.390 4.291 3.778 4.800 . 0 0 "[ . 1 . 2]" 1
1487 1 50 MET H 1 50 MET QG . . 3.740 2.721 1.993 3.274 . 0 0 "[ . 1 . 2]" 1
1488 1 50 MET HA 1 50 MET QG . . 3.700 2.823 2.362 3.338 . 0 0 "[ . 1 . 2]" 1
1489 1 50 MET QG 1 52 LYS QG . . 5.180 3.705 3.087 5.190 0.010 7 0 "[ . 1 . 2]" 1
1490 1 50 MET QG 1 57 ALA MB . . 4.350 4.048 3.184 4.363 0.013 6 0 "[ . 1 . 2]" 1
1491 1 50 MET QG 1 107 ALA MB . . 4.440 3.243 2.408 3.980 . 0 0 "[ . 1 . 2]" 1
1492 1 51 LEU H 1 51 LEU QD . . 4.200 3.308 2.478 3.733 . 0 0 "[ . 1 . 2]" 1
1493 1 51 LEU HA 1 51 LEU QD . . 3.780 2.159 1.921 2.717 . 0 0 "[ . 1 . 2]" 1
1494 1 51 LEU QB 1 54 LYS H . . 4.070 3.724 3.077 4.085 0.015 10 0 "[ . 1 . 2]" 1
1495 1 51 LEU QB 1 55 ASN H . . 5.340 5.300 4.709 5.431 0.091 3 0 "[ . 1 . 2]" 1
1496 1 51 LEU QB 1 55 ASN HA . . 5.330 5.204 4.824 5.379 0.049 17 0 "[ . 1 . 2]" 1
1497 1 51 LEU QB 1 56 GLN H . . 3.830 2.946 2.833 3.156 . 0 0 "[ . 1 . 2]" 1
1498 1 51 LEU QD 1 54 LYS QB . . 4.740 3.119 2.113 4.645 . 0 0 "[ . 1 . 2]" 1
1499 1 51 LEU QD 1 54 LYS QE . . 3.790 2.092 1.656 3.075 . 0 0 "[ . 1 . 2]" 1
1500 1 51 LEU QD 1 56 GLN H . . 4.510 3.903 3.635 4.078 . 0 0 "[ . 1 . 2]" 1
1501 1 51 LEU QD 1 56 GLN HA . . 4.740 4.566 4.215 4.759 0.019 2 0 "[ . 1 . 2]" 1
1502 1 51 LEU QD 1 56 GLN QB . . 4.150 2.249 2.066 2.447 . 0 0 "[ . 1 . 2]" 1
1503 1 51 LEU QD 1 57 ALA H . . 5.000 4.222 3.730 4.596 . 0 0 "[ . 1 . 2]" 1
1504 1 51 LEU QD 1 58 PHE QD . . 3.630 2.255 1.911 2.684 . 0 0 "[ . 1 . 2]" 1
1505 1 52 LYS H 1 52 LYS QG . . 3.560 2.432 2.023 3.170 . 0 0 "[ . 1 . 2]" 1
1506 1 52 LYS HA 1 52 LYS QG . . 3.170 2.781 2.491 3.007 . 0 0 "[ . 1 . 2]" 1
1507 1 52 LYS QB 1 53 GLY QA . . 4.980 3.922 3.710 4.110 . 0 0 "[ . 1 . 2]" 1
1508 1 52 LYS QB 1 103 ASN QB . . 4.830 3.412 2.355 4.706 . 0 0 "[ . 1 . 2]" 1
1509 1 52 LYS QE 1 52 LYS QG . . 2.690 2.360 2.305 2.416 . 0 0 "[ . 1 . 2]" 1
1510 1 55 ASN QB 1 56 GLN H . . 4.410 3.980 3.951 3.996 . 0 0 "[ . 1 . 2]" 1
1511 1 56 GLN QB 1 57 ALA H . . 3.990 2.568 2.320 3.456 . 0 0 "[ . 1 . 2]" 1
1512 1 58 PHE QB 1 96 LEU QD . . 3.050 2.085 1.988 2.237 . 0 0 "[ . 1 . 2]" 1
1513 1 58 PHE HB3 1 96 LEU MD2 . . 5.220 2.471 2.271 2.744 . 0 0 "[ . 1 . 2]" 1
1514 1 58 PHE QD 1 96 LEU QD . . 3.900 3.446 3.256 3.656 . 0 0 "[ . 1 . 2]" 1
1515 1 60 GLU H 1 60 GLU QG . . 4.830 4.148 4.063 4.189 . 0 0 "[ . 1 . 2]" 1
1516 1 60 GLU HA 1 96 LEU QD . . 4.530 3.430 2.598 3.656 . 0 0 "[ . 1 . 2]" 1
1517 1 60 GLU QG 1 61 MET H . . 3.610 2.661 2.405 2.969 . 0 0 "[ . 1 . 2]" 1
1518 1 60 GLU QG 1 95 GLU HA . . 3.990 3.568 2.928 4.034 0.044 15 0 "[ . 1 . 2]" 1
1519 1 60 GLU QG 1 96 LEU H . . 4.390 3.989 3.519 4.328 . 0 0 "[ . 1 . 2]" 1
1520 1 61 MET QB 1 66 ALA H . . 5.070 4.358 3.891 5.067 . 0 0 "[ . 1 . 2]" 1
1521 1 61 MET QB 1 67 ALA HA . . 4.610 3.611 3.224 4.035 . 0 0 "[ . 1 . 2]" 1
1522 1 63 THR HB 1 65 GLU QB . . 4.120 4.201 4.184 4.221 0.101 15 0 "[ . 1 . 2]" 1
1523 1 63 THR HB 1 65 GLU QG . . 4.360 2.303 2.240 2.384 . 0 0 "[ . 1 . 2]" 1
1524 1 63 THR MG 1 65 GLU QG . . 4.270 3.238 3.184 3.298 . 0 0 "[ . 1 . 2]" 1
1525 1 64 GLU HA 1 64 GLU QG . . 3.280 2.467 2.384 2.669 . 0 0 "[ . 1 . 2]" 1
1526 1 64 GLU QG 1 67 ALA H . . 5.280 4.742 4.611 5.090 . 0 0 "[ . 1 . 2]" 1
1527 1 65 GLU H 1 65 GLU QB . . 3.560 2.490 2.453 2.534 . 0 0 "[ . 1 . 2]" 1
1528 1 65 GLU H 1 65 GLU QG . . 3.520 1.987 1.954 2.041 . 0 0 "[ . 1 . 2]" 1
1529 1 65 GLU HA 1 65 GLU QB . . 2.580 2.172 2.166 2.178 . 0 0 "[ . 1 . 2]" 1
1530 1 65 GLU HA 1 65 GLU QG . . 3.290 3.343 3.338 3.349 0.059 19 0 "[ . 1 . 2]" 1
1531 1 65 GLU HA 1 68 ASN QB . . 3.370 2.118 2.069 2.158 . 0 0 "[ . 1 . 2]" 1
1532 1 65 GLU HA 1 68 ASN QD . . 3.900 2.772 2.750 2.796 . 0 0 "[ . 1 . 2]" 1
1533 1 65 GLU QB 1 66 ALA H . . 3.480 3.564 3.543 3.577 0.097 17 0 "[ . 1 . 2]" 1
1534 1 65 GLU QB 1 67 ALA H . . 5.340 5.193 5.139 5.259 . 0 0 "[ . 1 . 2]" 1
1535 1 65 GLU QB 1 68 ASN QB . . 4.350 3.722 3.629 3.768 . 0 0 "[ . 1 . 2]" 1
1536 1 65 GLU QB 1 68 ASN QD . . 4.650 3.577 3.435 3.624 . 0 0 "[ . 1 . 2]" 1
1537 1 65 GLU QG 1 66 ALA H . . 3.520 2.308 2.279 2.341 . 0 0 "[ . 1 . 2]" 1
1538 1 65 GLU QG 1 66 ALA HA . . 4.860 3.445 3.362 3.498 . 0 0 "[ . 1 . 2]" 1
1539 1 65 GLU QG 1 68 ASN H . . 5.340 5.065 5.023 5.105 . 0 0 "[ . 1 . 2]" 1
1540 1 67 ALA HA 1 71 VAL QG . . 4.770 4.136 4.069 4.286 . 0 0 "[ . 1 . 2]" 1
1541 1 67 ALA MB 1 68 ASN QB . . 4.130 3.808 3.744 3.953 . 0 0 "[ . 1 . 2]" 1
1542 1 67 ALA MB 1 71 VAL QG . . 4.180 3.905 3.763 3.988 . 0 0 "[ . 1 . 2]" 1
1543 1 68 ASN H 1 68 ASN QD . . 4.220 4.251 4.242 4.262 0.042 2 0 "[ . 1 . 2]" 1
1544 1 68 ASN H 1 71 VAL QG . . 5.440 5.418 4.889 5.465 0.025 16 0 "[ . 1 . 2]" 1
1545 1 68 ASN QB 1 69 THR H . . 3.610 2.547 2.517 2.613 . 0 0 "[ . 1 . 2]" 1
1546 1 68 ASN QD 1 69 THR HA . . 4.760 4.265 4.174 4.335 . 0 0 "[ . 1 . 2]" 1
1547 1 68 ASN QD 1 69 THR MG . . 5.340 4.944 4.854 5.034 . 0 0 "[ . 1 . 2]" 1
1548 1 69 THR H 1 72 ASN QB . . 4.440 4.434 4.393 4.450 0.010 17 0 "[ . 1 . 2]" 1
1549 1 69 THR HA 1 70 MET QB . . 5.340 5.165 5.144 5.181 . 0 0 "[ . 1 . 2]" 1
1550 1 69 THR HA 1 72 ASN QB . . 3.020 2.211 2.131 2.253 . 0 0 "[ . 1 . 2]" 1
1551 1 69 THR HB 1 70 MET QB . . 5.080 4.154 4.085 4.237 . 0 0 "[ . 1 . 2]" 1
1552 1 69 THR HB 1 72 ASN QB . . 4.950 4.892 4.799 4.917 . 0 0 "[ . 1 . 2]" 1
1553 1 69 THR MG 1 72 ASN QB . . 3.430 3.406 3.285 3.444 0.014 11 0 "[ . 1 . 2]" 1
1554 1 70 MET H 1 70 MET QG . . 4.460 3.923 3.908 3.933 . 0 0 "[ . 1 . 2]" 1
1555 1 70 MET H 1 72 ASN QB . . 4.740 4.593 4.508 4.628 . 0 0 "[ . 1 . 2]" 1
1556 1 70 MET HA 1 71 VAL QG . . 5.440 4.725 4.559 4.762 . 0 0 "[ . 1 . 2]" 1
1557 1 70 MET QB 1 71 VAL QG . . 4.480 3.076 2.991 3.184 . 0 0 "[ . 1 . 2]" 1
1558 1 70 MET QB 1 74 TYR QD . . 4.110 4.149 4.128 4.170 0.060 15 0 "[ . 1 . 2]" 1
1559 1 70 MET QG 1 71 VAL H . . 4.490 3.233 3.128 3.388 . 0 0 "[ . 1 . 2]" 1
1560 1 70 MET QG 1 74 TYR QD . . 3.970 2.107 2.050 2.149 . 0 0 "[ . 1 . 2]" 1
1561 1 70 MET QG 1 74 TYR QE . . 3.810 2.555 2.395 2.649 . 0 0 "[ . 1 . 2]" 1
1562 1 70 MET QG 1 88 ILE MD . . 4.280 2.628 2.447 3.072 . 0 0 "[ . 1 . 2]" 1
1563 1 70 MET ME 1 71 VAL QG . . 4.350 3.832 3.156 4.037 . 0 0 "[ . 1 . 2]" 1
1564 1 70 MET ME 1 88 ILE QG . . 4.490 3.431 3.271 3.595 . 0 0 "[ . 1 . 2]" 1
1565 1 71 VAL H 1 71 VAL QG . . 2.830 2.304 1.892 2.418 . 0 0 "[ . 1 . 2]" 1
1566 1 71 VAL HA 1 71 VAL QG . . 2.670 2.124 2.095 2.494 . 0 0 "[ . 1 . 2]" 1
1567 1 71 VAL HA 1 88 ILE QG . . 5.270 4.132 3.823 4.735 . 0 0 "[ . 1 . 2]" 1
1568 1 71 VAL HB 1 72 ASN QB . . 5.340 4.314 4.200 5.555 0.215 15 0 "[ . 1 . 2]" 1
1569 1 71 VAL QG 1 72 ASN H . . 3.630 3.193 2.650 3.249 . 0 0 "[ . 1 . 2]" 1
1570 1 71 VAL QG 1 72 ASN HA . . 3.410 3.283 3.026 3.334 . 0 0 "[ . 1 . 2]" 1
1571 1 71 VAL QG 1 72 ASN QB . . 3.950 3.948 3.253 3.994 0.044 17 0 "[ . 1 . 2]" 1
1572 1 71 VAL QG 1 73 TYR H . . 4.610 4.368 4.188 4.411 . 0 0 "[ . 1 . 2]" 1
1573 1 71 VAL QG 1 74 TYR HB2 . . 5.050 3.366 3.227 3.627 . 0 0 "[ . 1 . 2]" 1
1574 1 71 VAL QG 1 74 TYR QD . . 4.630 3.923 3.694 4.043 . 0 0 "[ . 1 . 2]" 1
1575 1 71 VAL QG 1 75 THR H . . 4.510 3.625 3.513 4.159 . 0 0 "[ . 1 . 2]" 1
1576 1 71 VAL QG 1 75 THR HA . . 3.920 3.798 3.658 4.044 0.124 15 0 "[ . 1 . 2]" 1
1577 1 71 VAL QG 1 75 THR HB . . 5.040 2.589 2.485 2.873 . 0 0 "[ . 1 . 2]" 1
1578 1 71 VAL QG 1 75 THR MG . . 3.980 3.663 3.574 3.988 0.008 15 0 "[ . 1 . 2]" 1
1579 1 71 VAL QG 1 88 ILE HB . . 5.440 5.195 5.044 5.455 0.015 15 0 "[ . 1 . 2]" 1
1580 1 71 VAL QG 1 88 ILE QG . . 3.960 2.809 2.604 3.239 . 0 0 "[ . 1 . 2]" 1
1581 1 71 VAL QG 1 89 GLN HA . . 4.360 2.936 2.694 3.585 . 0 0 "[ . 1 . 2]" 1
1582 1 71 VAL QG 1 90 PHE H . . 3.940 3.048 2.832 3.409 . 0 0 "[ . 1 . 2]" 1
1583 1 71 VAL QG 1 90 PHE QB . . 4.820 3.587 3.401 3.742 . 0 0 "[ . 1 . 2]" 1
1584 1 71 VAL QG 1 90 PHE QD . . 3.580 2.635 2.487 2.735 . 0 0 "[ . 1 . 2]" 1
1585 1 71 VAL QG 1 90 PHE QE . . 3.080 2.396 1.945 2.469 . 0 0 "[ . 1 . 2]" 1
1586 1 71 VAL QG 1 90 PHE HZ . . 4.120 3.002 2.248 3.119 . 0 0 "[ . 1 . 2]" 1
1587 1 72 ASN QB 1 73 TYR H . . 3.370 2.986 2.851 3.033 . 0 0 "[ . 1 . 2]" 1
1588 1 72 ASN QB 1 73 TYR HA . . 4.890 4.548 4.524 4.636 . 0 0 "[ . 1 . 2]" 1
1589 1 72 ASN QB 1 75 THR MG . . 4.290 4.082 3.994 4.213 . 0 0 "[ . 1 . 2]" 1
1590 1 73 TYR H 1 73 TYR QB . . 3.520 2.265 2.179 2.288 . 0 0 "[ . 1 . 2]" 1
1591 1 73 TYR HA 1 77 VAL QG . . 4.780 3.776 3.317 4.014 . 0 0 "[ . 1 . 2]" 1
1592 1 73 TYR QB 1 74 TYR H . . 4.010 2.446 2.364 2.587 . 0 0 "[ . 1 . 2]" 1
1593 1 74 TYR H 1 77 VAL QG . . 5.270 4.069 3.517 4.720 . 0 0 "[ . 1 . 2]" 1
1594 1 74 TYR HA 1 77 VAL QG . . 3.340 2.359 1.940 3.218 . 0 0 "[ . 1 . 2]" 1
1595 1 74 TYR HB2 1 77 VAL QG . . 5.440 4.640 4.269 5.248 . 0 0 "[ . 1 . 2]" 1
1596 1 74 TYR HB2 1 88 ILE QG . . 4.600 3.939 3.760 4.343 . 0 0 "[ . 1 . 2]" 1
1597 1 74 TYR HB3 1 77 VAL QG . . 5.290 4.101 3.844 4.638 . 0 0 "[ . 1 . 2]" 1
1598 1 74 TYR HB3 1 88 ILE QG . . 4.520 3.979 3.804 4.269 . 0 0 "[ . 1 . 2]" 1
1599 1 74 TYR QD 1 77 VAL QG . . 3.270 2.043 1.917 2.417 . 0 0 "[ . 1 . 2]" 1
1600 1 74 TYR QE 1 77 VAL QG . . 3.380 2.556 2.474 2.650 . 0 0 "[ . 1 . 2]" 1
1601 1 75 THR MG 1 76 SER QB . . 4.120 3.014 2.645 3.427 . 0 0 "[ . 1 . 2]" 1
1602 1 76 SER HA 1 77 VAL QG . . 4.790 4.114 3.980 4.257 . 0 0 "[ . 1 . 2]" 1
1603 1 76 SER QB 1 77 VAL HB . . 5.290 5.124 4.573 5.399 0.109 19 0 "[ . 1 . 2]" 1
1604 1 76 SER QB 1 77 VAL QG . . 3.300 2.776 2.641 3.026 . 0 0 "[ . 1 . 2]" 1
1605 1 77 VAL H 1 77 VAL QG . . 3.010 2.518 2.310 3.022 0.012 2 0 "[ . 1 . 2]" 1
1606 1 77 VAL HA 1 77 VAL QG . . 2.450 2.392 2.142 2.492 0.042 19 0 "[ . 1 . 2]" 1
1607 1 77 VAL QG 1 78 THR H . . 2.960 2.731 2.275 2.972 0.012 5 0 "[ . 1 . 2]" 1
1608 1 77 VAL QG 1 78 THR HA . . 3.480 3.514 3.435 3.534 0.054 18 0 "[ . 1 . 2]" 1
1609 1 77 VAL QG 1 79 PRO HA . . 4.210 3.975 3.785 4.217 0.007 17 0 "[ . 1 . 2]" 1
1610 1 77 VAL QG 1 79 PRO HD3 . . 4.700 3.744 3.583 3.943 . 0 0 "[ . 1 . 2]" 1
1611 1 79 PRO HA 1 80 VAL QG . . 3.780 3.412 3.167 3.689 . 0 0 "[ . 1 . 2]" 1
1612 1 80 VAL H 1 80 VAL QG . . 3.010 2.680 2.429 2.917 . 0 0 "[ . 1 . 2]" 1
1613 1 80 VAL HA 1 80 VAL QG . . 2.800 2.327 2.118 2.621 . 0 0 "[ . 1 . 2]" 1
1614 1 80 VAL QG 1 81 LEU H . . 2.830 2.669 2.481 2.856 0.026 16 0 "[ . 1 . 2]" 1
1615 1 80 VAL QG 1 82 ARG H . . 5.170 3.891 3.637 4.125 . 0 0 "[ . 1 . 2]" 1
1616 1 80 VAL QG 1 82 ARG HA . . 4.850 4.669 4.457 4.871 0.021 18 0 "[ . 1 . 2]" 1
1617 1 80 VAL QG 1 83 GLY H . . 3.140 2.215 1.981 2.338 . 0 0 "[ . 1 . 2]" 1
1618 1 80 VAL QG 1 83 GLY HA2 . . 2.970 2.232 2.135 2.372 . 0 0 "[ . 1 . 2]" 1
1619 1 80 VAL QG 1 83 GLY HA3 . . 3.670 3.485 3.397 3.606 . 0 0 "[ . 1 . 2]" 1
1620 1 80 VAL QG 1 84 GLN H . . 2.810 2.623 2.438 2.829 0.019 5 0 "[ . 1 . 2]" 1
1621 1 80 VAL QG 1 84 GLN HA . . 3.530 3.504 3.379 3.603 0.073 8 0 "[ . 1 . 2]" 1
1622 1 80 VAL QG 1 84 GLN QB . . 4.060 4.052 3.967 4.106 0.046 1 0 "[ . 1 . 2]" 1
1623 1 80 VAL QG 1 84 GLN QG . . 4.580 4.359 4.315 4.429 . 0 0 "[ . 1 . 2]" 1
1624 1 80 VAL QG 1 85 PRO HA . . 3.390 2.479 2.312 2.695 . 0 0 "[ . 1 . 2]" 1
1625 1 80 VAL QG 1 85 PRO HB2 . . 4.250 3.334 3.172 3.502 . 0 0 "[ . 1 . 2]" 1
1626 1 80 VAL QG 1 85 PRO HB3 . . 3.330 1.966 1.932 2.010 . 0 0 "[ . 1 . 2]" 1
1627 1 80 VAL QG 1 85 PRO HG2 . . 5.270 4.156 4.033 4.309 . 0 0 "[ . 1 . 2]" 1
1628 1 80 VAL QG 1 85 PRO HG3 . . 4.150 3.403 3.272 3.561 . 0 0 "[ . 1 . 2]" 1
1629 1 80 VAL QG 1 85 PRO HD2 . . 4.200 3.855 3.671 4.121 . 0 0 "[ . 1 . 2]" 1
1630 1 80 VAL QG 1 85 PRO HD3 . . 3.390 2.666 2.474 2.960 . 0 0 "[ . 1 . 2]" 1
1631 1 81 LEU H 1 81 LEU QB . . 3.250 2.605 2.304 2.695 . 0 0 "[ . 1 . 2]" 1
1632 1 81 LEU H 1 81 LEU QD . . 4.190 3.303 2.714 3.567 . 0 0 "[ . 1 . 2]" 1
1633 1 81 LEU H 1 84 GLN QB . . 4.180 3.530 3.298 3.747 . 0 0 "[ . 1 . 2]" 1
1634 1 81 LEU HA 1 81 LEU QD . . 2.720 2.109 2.003 2.354 . 0 0 "[ . 1 . 2]" 1
1635 1 81 LEU QB 1 82 ARG HA . . 5.080 4.813 4.675 4.923 . 0 0 "[ . 1 . 2]" 1
1636 1 81 LEU QB 1 82 ARG QD . . 5.180 4.540 3.093 5.204 0.024 15 0 "[ . 1 . 2]" 1
1637 1 81 LEU QB 1 82 ARG HE . . 5.340 5.163 4.619 5.445 0.105 8 0 "[ . 1 . 2]" 1
1638 1 81 LEU QB 1 84 GLN H . . 4.460 3.966 3.557 4.172 . 0 0 "[ . 1 . 2]" 1
1639 1 81 LEU QD 1 82 ARG HA . . 5.440 5.458 5.319 5.616 0.176 15 0 "[ . 1 . 2]" 1
1640 1 82 ARG HA 1 82 ARG QD . . 4.590 4.036 2.350 4.340 . 0 0 "[ . 1 . 2]" 1
1641 1 82 ARG QB 1 82 ARG QD . . 2.870 2.308 2.152 2.471 . 0 0 "[ . 1 . 2]" 1
1642 1 84 GLN H 1 84 GLN QB . . 3.040 2.449 2.354 2.518 . 0 0 "[ . 1 . 2]" 1
1643 1 84 GLN QB 1 84 GLN HE22 . . 3.960 3.765 3.269 4.075 0.115 4 0 "[ . 1 . 2]" 1
1644 1 84 GLN QB 1 85 PRO HD2 . . 3.690 3.412 3.220 3.614 . 0 0 "[ . 1 . 2]" 1
1645 1 84 GLN QB 1 85 PRO HD3 . . 4.700 4.272 4.094 4.414 . 0 0 "[ . 1 . 2]" 1
1646 1 84 GLN QB 1 86 ILE MG . . 4.640 3.141 2.866 3.319 . 0 0 "[ . 1 . 2]" 1
1647 1 88 ILE H 1 88 ILE QG . . 4.180 4.029 3.945 4.153 . 0 0 "[ . 1 . 2]" 1
1648 1 94 LYS QB 1 94 LYS QE . . 3.810 3.209 1.917 3.870 0.060 13 0 "[ . 1 . 2]" 1
1649 1 94 LYS QB 1 95 GLU H . . 4.310 2.884 1.870 3.825 . 0 0 "[ . 1 . 2]" 1
1650 1 94 LYS QE 1 94 LYS QG . . 2.510 2.292 2.098 2.612 0.102 10 0 "[ . 1 . 2]" 1
1651 1 95 GLU H 1 95 GLU QB . . 3.500 3.005 2.355 3.295 . 0 0 "[ . 1 . 2]" 1
1652 1 95 GLU HA 1 96 LEU QD . . 4.280 3.289 3.168 3.436 . 0 0 "[ . 1 . 2]" 1
1653 1 95 GLU QB 1 96 LEU H . . 3.440 2.547 2.393 3.522 0.082 1 0 "[ . 1 . 2]" 1
1654 1 96 LEU H 1 96 LEU QD . . 3.900 2.551 2.345 2.756 . 0 0 "[ . 1 . 2]" 1
1655 1 96 LEU HA 1 96 LEU QD . . 3.440 1.903 1.842 2.354 . 0 0 "[ . 1 . 2]" 1
1656 1 96 LEU QB 1 96 LEU QD . . 2.840 2.017 1.961 2.033 . 0 0 "[ . 1 . 2]" 1
1657 1 96 LEU QD 1 107 ALA MB . . 5.260 4.628 4.190 5.118 . 0 0 "[ . 1 . 2]" 1
1658 1 97 LYS H 1 97 LYS QG . . 4.830 3.716 2.418 4.252 . 0 0 "[ . 1 . 2]" 1
1659 1 97 LYS QB 1 97 LYS QE . . 4.110 2.952 1.862 3.660 . 0 0 "[ . 1 . 2]" 1
1660 1 98 THR HB 1 104 GLN QG . . 4.710 3.955 2.470 4.744 0.034 4 0 "[ . 1 . 2]" 1
1661 1 98 THR MG 1 104 GLN QG . . 4.230 3.195 2.216 4.131 . 0 0 "[ . 1 . 2]" 1
1662 1 101 SER H 1 102 PRO QD . . 4.860 4.047 2.579 4.376 . 0 0 "[ . 1 . 2]" 1
1663 1 101 SER QB 1 104 GLN H . . 5.340 4.182 2.707 4.972 . 0 0 "[ . 1 . 2]" 1
1664 1 102 PRO QB 1 103 ASN H . . 4.060 3.636 3.218 3.971 . 0 0 "[ . 1 . 2]" 1
1665 1 104 GLN QB 1 107 ALA H . . 5.340 4.730 4.265 5.158 . 0 0 "[ . 1 . 2]" 1
1666 1 106 ARG HA 1 106 ARG QG . . 3.030 2.647 2.336 3.089 0.059 8 0 "[ . 1 . 2]" 1
1667 1 108 GLN HA 1 111 LEU QB . . 3.460 2.996 2.385 3.425 . 0 0 "[ . 1 . 2]" 1
1668 1 108 GLN HA 1 111 LEU QD . . 3.020 2.343 2.140 3.051 0.031 8 0 "[ . 1 . 2]" 1
1669 1 108 GLN QB 1 111 LEU QD . . 4.640 3.949 3.651 4.216 . 0 0 "[ . 1 . 2]" 1
1670 1 108 GLN QG 1 111 LEU QB . . 4.970 4.226 3.570 4.985 0.015 12 0 "[ . 1 . 2]" 1
1671 1 108 GLN QG 1 111 LEU QD . . 4.170 3.520 2.970 4.202 0.032 17 0 "[ . 1 . 2]" 1
1672 1 111 LEU H 1 111 LEU QB . . 3.350 2.189 2.117 2.225 . 0 0 "[ . 1 . 2]" 1
1673 1 111 LEU H 1 111 LEU QD . . 4.660 3.199 3.107 3.625 . 0 0 "[ . 1 . 2]" 1
1674 1 111 LEU H 1 114 VAL QG . . 4.410 4.237 4.164 4.277 . 0 0 "[ . 1 . 2]" 1
1675 1 111 LEU HA 1 111 LEU QD . . 2.700 2.090 2.014 2.731 0.031 8 0 "[ . 1 . 2]" 1
1676 1 111 LEU QB 1 111 LEU QD . . 2.600 1.881 1.849 1.892 . 0 0 "[ . 1 . 2]" 1
1677 1 111 LEU QB 1 112 GLN H . . 4.070 2.922 2.781 3.038 . 0 0 "[ . 1 . 2]" 1
1678 1 111 LEU QB 1 112 GLN QG . . 4.160 3.122 3.091 3.268 . 0 0 "[ . 1 . 2]" 1
1679 1 111 LEU QB 1 113 ALA H . . 4.880 4.647 4.516 4.806 . 0 0 "[ . 1 . 2]" 1
1680 1 111 LEU QB 1 114 VAL H . . 5.340 4.659 4.511 5.094 . 0 0 "[ . 1 . 2]" 1
1681 1 111 LEU QD 1 112 GLN H . . 5.160 4.263 3.966 4.312 . 0 0 "[ . 1 . 2]" 1
1682 1 111 LEU QD 1 112 GLN QG . . 4.230 4.233 3.399 4.289 0.059 14 0 "[ . 1 . 2]" 1
1683 1 112 GLN H 1 112 GLN QG . . 3.320 2.159 2.002 2.367 . 0 0 "[ . 1 . 2]" 1
1684 1 112 GLN HA 1 112 GLN QG . . 2.800 2.390 2.312 2.449 . 0 0 "[ . 1 . 2]" 1
1685 1 112 GLN HA 1 115 ASN QB . . 3.800 3.032 2.747 3.559 . 0 0 "[ . 1 . 2]" 1
1686 1 113 ALA H 1 114 VAL QG . . 4.700 3.334 3.189 3.451 . 0 0 "[ . 1 . 2]" 1
1687 1 114 VAL H 1 114 VAL QG . . 3.000 2.046 1.981 2.136 . 0 0 "[ . 1 . 2]" 1
1688 1 114 VAL HA 1 114 VAL QG . . 2.680 2.434 2.410 2.449 . 0 0 "[ . 1 . 2]" 1
1689 1 114 VAL QG 1 115 ASN HA . . 4.640 3.839 3.610 3.975 . 0 0 "[ . 1 . 2]" 1
1690 1 114 VAL QG 1 115 ASN QB . . 3.950 3.553 3.326 3.631 . 0 0 "[ . 1 . 2]" 1
1691 1 115 ASN HA 1 115 ASN QB . . 2.570 2.412 2.387 2.443 . 0 0 "[ . 1 . 2]" 1
1692 1 115 ASN QB 1 115 ASN HD22 . . 3.490 3.321 3.296 3.355 . 0 0 "[ . 1 . 2]" 1
1693 1 115 ASN QB 1 116 SER QB . . 4.550 4.079 3.272 4.586 0.036 5 0 "[ . 1 . 2]" 1
1694 1 117 VAL HA 1 117 VAL QG . . 2.900 2.235 2.076 2.452 . 0 0 "[ . 1 . 2]" 1
1695 1 117 VAL QG 1 118 GLN HA . . 4.300 4.062 3.517 4.365 0.065 3 0 "[ . 1 . 2]" 1
1696 1 117 VAL QG 1 118 GLN QB . . 5.220 4.117 3.297 4.665 . 0 0 "[ . 1 . 2]" 1
1697 1 117 VAL QG 1 118 GLN QG . . 3.820 3.509 2.528 3.934 0.114 7 0 "[ . 1 . 2]" 1
1698 1 117 VAL QG 1 119 SER HA . . 4.410 3.610 2.602 4.405 . 0 0 "[ . 1 . 2]" 1
1699 1 117 VAL QG 1 119 SER QB . . 3.820 2.848 1.965 3.837 0.017 18 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 90
_Distance_constraint_stats_list.Viol_count 515
_Distance_constraint_stats_list.Viol_total 1079.847
_Distance_constraint_stats_list.Viol_max 0.400
_Distance_constraint_stats_list.Viol_rms 0.0645
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0300
_Distance_constraint_stats_list.Viol_average_violations_only 0.1048
_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
2 8 G 1.103 0.121 20 0 "[ . 1 . 2]"
2 9 G 8.411 0.395 19 0 "[ . 1 . 2]"
2 10 U 7.414 0.225 15 0 "[ . 1 . 2]"
2 11 C 8.289 0.315 2 0 "[ . 1 . 2]"
2 12 U 0.957 0.108 11 0 "[ . 1 . 2]"
2 13 U 7.148 0.210 7 0 "[ . 1 . 2]"
2 14 U 17.738 0.307 19 0 "[ . 1 . 2]"
2 15 C 17.969 0.400 18 0 "[ . 1 . 2]"
2 16 C 3.920 0.400 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 2 8 G H2' 2 9 G H1' . . 4.000 4.055 4.006 4.121 0.121 20 0 "[ . 1 . 2]" 2
2 2 9 G H1' 2 9 G H8 . . 3.700 3.735 3.658 3.832 0.132 20 0 "[ . 1 . 2]" 2
3 2 9 G H1' 2 10 U H6 . . 5.000 5.069 5.025 5.110 0.110 5 0 "[ . 1 . 2]" 2
4 2 9 G H2' 2 9 G H8 . . 4.500 4.148 3.880 4.296 . 0 0 "[ . 1 . 2]" 2
5 2 9 G H2' 2 10 U H1' . . 4.900 4.686 4.402 5.005 0.105 17 0 "[ . 1 . 2]" 2
6 2 9 G H2' 2 10 U H5 . . 4.300 4.041 3.685 4.346 0.046 1 0 "[ . 1 . 2]" 2
7 2 9 G H2' 2 10 U H6 . . 3.600 2.633 2.461 2.892 . 0 0 "[ . 1 . 2]" 2
8 2 9 G H2' 2 10 U Q5' . . 4.200 2.469 2.214 2.714 . 0 0 "[ . 1 . 2]" 2
9 2 9 G H3' 2 9 G H8 . . 3.700 3.134 2.633 3.413 . 0 0 "[ . 1 . 2]" 2
10 2 9 G H3' 2 10 U H5 . . 4.400 3.069 2.908 3.325 . 0 0 "[ . 1 . 2]" 2
11 2 9 G H3' 2 10 U H6 . . 4.000 2.472 2.032 2.936 . 0 0 "[ . 1 . 2]" 2
12 2 9 G H4' 2 9 G H8 . . 4.700 4.266 4.169 4.429 . 0 0 "[ . 1 . 2]" 2
13 2 9 G H5'' 2 9 G H8 . . 4.500 2.815 2.150 4.313 . 0 0 "[ . 1 . 2]" 2
14 2 9 G H5' 2 9 G H8 . . 3.700 3.884 2.765 4.095 0.395 19 0 "[ . 1 . 2]" 2
15 2 11 C H2' 2 11 C H5 . . 4.600 4.621 4.425 4.737 0.137 20 0 "[ . 1 . 2]" 2
16 2 11 C H2' 2 11 C H6 . . 3.500 3.036 2.752 3.241 . 0 0 "[ . 1 . 2]" 2
17 2 11 C H4' 2 11 C H5 . . 6.000 6.036 5.962 6.102 0.102 5 0 "[ . 1 . 2]" 2
18 2 11 C H4' 2 11 C H6 . . 4.800 3.698 3.630 3.774 . 0 0 "[ . 1 . 2]" 2
19 2 10 U H1' 2 11 C H5'' . . 4.800 4.525 4.306 4.635 . 0 0 "[ . 1 . 2]" 2
20 2 11 C H5 2 11 C H5'' . . 5.100 4.442 3.805 5.415 0.315 2 0 "[ . 1 . 2]" 2
21 2 11 C H5'' 2 11 C H6 . . 4.600 2.571 1.999 3.560 . 0 0 "[ . 1 . 2]" 2
22 2 10 U H1' 2 11 C H5' . . 4.700 4.280 3.159 4.850 0.150 17 0 "[ . 1 . 2]" 2
23 2 11 C H5' 2 11 C H6 . . 4.500 3.049 2.031 3.609 . 0 0 "[ . 1 . 2]" 2
24 2 13 U H2' 2 13 U H5 . . 4.500 4.152 4.033 4.302 . 0 0 "[ . 1 . 2]" 2
25 2 13 U H2' 2 13 U H6 . . 2.800 2.072 1.940 2.296 . 0 0 "[ . 1 . 2]" 2
26 2 13 U H3' 2 13 U H6 . . 3.700 3.814 3.740 3.910 0.210 7 0 "[ . 1 . 2]" 2
27 2 13 U H3' 2 14 U H6 . . 4.500 4.589 4.452 4.694 0.194 14 0 "[ . 1 . 2]" 2
28 2 13 U H4' 2 13 U H6 . . 4.200 4.292 4.092 4.379 0.179 20 0 "[ . 1 . 2]" 2
29 2 13 U H4' 2 14 U H6 . . 4.000 3.880 3.481 4.141 0.141 9 0 "[ . 1 . 2]" 2
30 2 13 U H5' 2 13 U H6 . . 3.700 3.230 2.891 3.624 . 0 0 "[ . 1 . 2]" 2
31 2 14 U H1' 2 15 C H1' . . 5.000 5.029 4.868 5.097 0.097 1 0 "[ . 1 . 2]" 2
32 2 14 U H2' 2 15 C H1' . . 4.100 2.945 2.524 3.582 . 0 0 "[ . 1 . 2]" 2
33 2 15 C H1' 2 15 C H5 . . 5.000 5.213 5.181 5.253 0.253 1 0 "[ . 1 . 2]" 2
34 2 15 C H1' 2 15 C H6 . . 3.700 3.421 3.340 3.539 . 0 0 "[ . 1 . 2]" 2
35 2 15 C H1' 2 16 C H1' . . 5.000 5.121 5.094 5.161 0.161 3 0 "[ . 1 . 2]" 2
36 2 15 C H2' 2 15 C H6 . . 4.500 4.222 3.929 4.426 . 0 0 "[ . 1 . 2]" 2
37 2 15 C H3' 2 15 C H5 . . 5.100 4.488 4.183 4.690 . 0 0 "[ . 1 . 2]" 2
38 2 15 C H3' 2 15 C H6 . . 3.700 3.129 2.580 3.487 . 0 0 "[ . 1 . 2]" 2
39 2 15 C H3' 2 16 C H5 . . 3.700 3.590 3.166 4.100 0.400 18 0 "[ . 1 . 2]" 2
40 2 15 C H4' 2 15 C H5 . . 6.000 6.037 5.837 6.186 0.186 6 0 "[ . 1 . 2]" 2
41 2 15 C H4' 2 15 C H6 . . 4.100 3.757 3.572 3.877 . 0 0 "[ . 1 . 2]" 2
42 2 15 C H5'' 2 15 C H6 . . 4.000 2.471 1.826 3.818 . 0 0 "[ . 1 . 2]" 2
43 2 15 C H5 2 15 C H5' . . 4.800 5.003 4.960 5.079 0.279 1 0 "[ . 1 . 2]" 2
44 2 15 C H5' 2 15 C H6 . . 3.700 3.324 2.877 3.614 . 0 0 "[ . 1 . 2]" 2
45 2 10 U H1' 2 10 U H5 . . 5.500 5.442 5.422 5.460 . 0 0 "[ . 1 . 2]" 2
46 2 10 U H1' 2 10 U H6 . . 4.100 3.733 3.715 3.741 . 0 0 "[ . 1 . 2]" 2
47 2 10 U H1' 2 11 C H5 . . 4.500 4.650 4.561 4.725 0.225 15 0 "[ . 1 . 2]" 2
48 2 10 U H1' 2 11 C H6 . . 4.600 3.994 3.608 4.466 . 0 0 "[ . 1 . 2]" 2
49 2 10 U H2' 2 10 U H5 . . 4.300 4.286 4.224 4.334 0.034 14 0 "[ . 1 . 2]" 2
50 2 10 U H2' 2 10 U H6 . . 3.400 2.244 2.194 2.314 . 0 0 "[ . 1 . 2]" 2
51 2 10 U H2' 2 11 C H5 . . 4.700 3.195 2.336 3.837 . 0 0 "[ . 1 . 2]" 2
52 2 10 U H2' 2 11 C H6 . . 4.300 4.051 3.562 4.367 0.067 4 0 "[ . 1 . 2]" 2
53 2 10 U H3' 2 10 U H6 . . 4.500 4.219 4.087 4.410 . 0 0 "[ . 1 . 2]" 2
54 2 10 U H4' 2 10 U H6 . . 4.500 4.541 4.485 4.607 0.107 2 0 "[ . 1 . 2]" 2
55 2 10 U H4' 2 11 C H5 . . 5.000 4.606 4.448 4.784 . 0 0 "[ . 1 . 2]" 2
56 2 10 U H4' 2 11 C H6 . . 5.000 5.034 4.950 5.125 0.125 12 0 "[ . 1 . 2]" 2
57 2 10 U H5'' 2 10 U H6 . . 4.600 4.256 4.142 4.496 . 0 0 "[ . 1 . 2]" 2
58 2 9 G H1' 2 10 U H5' . . 4.700 4.605 4.416 4.763 0.063 4 0 "[ . 1 . 2]" 2
59 2 10 U H5' 2 10 U H6 . . 4.400 3.593 3.392 3.852 . 0 0 "[ . 1 . 2]" 2
60 2 12 U H1' 2 12 U H6 . . 3.900 3.613 3.525 3.663 . 0 0 "[ . 1 . 2]" 2
61 2 12 U H1' 2 13 U H6 . . 3.900 3.422 3.210 3.740 . 0 0 "[ . 1 . 2]" 2
62 2 12 U H1' 2 13 U H5 . . 3.500 2.399 2.032 2.964 . 0 0 "[ . 1 . 2]" 2
63 2 12 U H2' 2 12 U H6 . . 3.300 3.081 2.858 3.292 . 0 0 "[ . 1 . 2]" 2
64 2 12 U H3' 2 12 U H6 . . 4.600 4.630 4.581 4.708 0.108 11 0 "[ . 1 . 2]" 2
65 2 12 U H3' 2 13 U H6 . . 5.400 4.787 4.337 5.155 . 0 0 "[ . 1 . 2]" 2
66 2 12 U H4' 2 12 U H6 . . 5.000 4.129 3.856 4.313 . 0 0 "[ . 1 . 2]" 2
67 2 12 U H4' 2 13 U H6 . . 4.300 3.904 3.190 4.400 0.100 12 0 "[ . 1 . 2]" 2
68 2 12 U H5'' 2 12 U H6 . . 4.900 3.609 2.745 4.428 . 0 0 "[ . 1 . 2]" 2
69 2 12 U H5' 2 12 U H6 . . 4.400 2.510 2.096 3.212 . 0 0 "[ . 1 . 2]" 2
70 2 14 U H1' 2 14 U H5 . . 5.500 5.356 5.334 5.369 . 0 0 "[ . 1 . 2]" 2
71 2 14 U H1' 2 14 U H6 . . 3.300 3.575 3.544 3.607 0.307 19 0 "[ . 1 . 2]" 2
72 2 14 U H1' 2 15 C H6 . . 5.000 4.786 4.321 5.046 0.046 14 0 "[ . 1 . 2]" 2
73 2 14 U H2' 2 14 U H5 . . 5.000 5.026 4.946 5.110 0.110 10 0 "[ . 1 . 2]" 2
74 2 14 U H2' 2 14 U H6 . . 3.500 3.602 3.547 3.682 0.182 14 0 "[ . 1 . 2]" 2
75 2 14 U H2' 2 15 C H5 . . 4.500 4.254 3.603 4.555 0.055 18 0 "[ . 1 . 2]" 2
76 2 14 U H2' 2 15 C H6 . . 3.500 2.398 1.863 2.743 . 0 0 "[ . 1 . 2]" 2
77 2 14 U H3' 2 14 U H5 . . 5.400 4.043 3.926 4.238 . 0 0 "[ . 1 . 2]" 2
78 2 14 U H3' 2 14 U H6 . . 3.600 2.321 2.097 2.478 . 0 0 "[ . 1 . 2]" 2
79 2 14 U H3' 2 15 C H5 . . 4.400 2.993 2.456 3.395 . 0 0 "[ . 1 . 2]" 2
80 2 14 U H3' 2 15 C H6 . . 3.800 2.060 1.882 2.401 . 0 0 "[ . 1 . 2]" 2
81 2 14 U H4' 2 14 U H5 . . 6.000 6.118 6.070 6.177 0.177 14 0 "[ . 1 . 2]" 2
82 2 14 U H4' 2 14 U H6 . . 4.200 3.713 3.650 3.809 . 0 0 "[ . 1 . 2]" 2
83 2 14 U H4' 2 15 C H5 . . 6.000 5.917 5.416 6.214 0.214 13 0 "[ . 1 . 2]" 2
84 2 14 U H4' 2 15 C H6 . . 5.000 4.808 4.694 5.115 0.115 3 0 "[ . 1 . 2]" 2
85 2 14 U H5 2 14 U H5'' . . 4.400 3.843 3.768 3.981 . 0 0 "[ . 1 . 2]" 2
86 2 14 U H5'' 2 14 U H6 . . 3.600 1.914 1.828 2.034 . 0 0 "[ . 1 . 2]" 2
87 2 14 U H5'' 2 15 C H5 . . 4.500 4.031 3.318 4.412 . 0 0 "[ . 1 . 2]" 2
88 2 14 U H5'' 2 15 C H6 . . 4.200 4.295 4.005 4.490 0.290 6 0 "[ . 1 . 2]" 2
89 2 9 G H8 2 10 U H5 . . 4.500 3.328 2.960 3.890 . 0 0 "[ . 1 . 2]" 2
90 2 9 G H8 2 10 U H6 . . 5.000 4.564 4.159 4.976 . 0 0 "[ . 1 . 2]" 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 89
_Distance_constraint_stats_list.Viol_count 357
_Distance_constraint_stats_list.Viol_total 348.060
_Distance_constraint_stats_list.Viol_max 0.343
_Distance_constraint_stats_list.Viol_rms 0.0301
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0098
_Distance_constraint_stats_list.Viol_average_violations_only 0.0487
_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 11 SER 0.289 0.053 4 0 "[ . 1 . 2]"
1 12 ARG 0.262 0.052 2 0 "[ . 1 . 2]"
1 24 ARG 0.601 0.171 2 0 "[ . 1 . 2]"
1 25 LYS 0.461 0.085 2 0 "[ . 1 . 2]"
1 49 LEU 1.400 0.112 14 0 "[ . 1 . 2]"
1 51 LEU 7.299 0.343 4 0 "[ . 1 . 2]"
1 52 LYS 1.558 0.205 11 0 "[ . 1 . 2]"
1 53 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LYS 2.338 0.199 14 0 "[ . 1 . 2]"
1 58 PHE 1.073 0.115 4 0 "[ . 1 . 2]"
1 93 HIS 0.495 0.053 14 0 "[ . 1 . 2]"
1 96 LEU 0.171 0.109 11 0 "[ . 1 . 2]"
1 98 THR 0.551 0.077 12 0 "[ . 1 . 2]"
1 99 ASP 0.446 0.046 5 0 "[ . 1 . 2]"
1 100 SER 0.117 0.040 12 0 "[ . 1 . 2]"
1 101 SER 0.085 0.085 19 0 "[ . 1 . 2]"
1 103 ASN 0.257 0.054 3 0 "[ . 1 . 2]"
2 9 G 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 U 1.224 0.171 2 0 "[ . 1 . 2]"
2 11 C 1.014 0.115 4 0 "[ . 1 . 2]"
2 12 U 6.784 0.211 14 0 "[ . 1 . 2]"
2 13 U 8.086 0.343 4 0 "[ . 1 . 2]"
2 14 U 0.296 0.199 14 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 SER QB 2 11 C H5 . . 5.500 4.890 4.036 5.518 0.018 7 0 "[ . 1 . 2]" 3
2 1 11 SER QB 2 11 C H6 . . 5.500 5.258 4.477 5.553 0.053 4 0 "[ . 1 . 2]" 3
3 1 12 ARG QD 2 10 U H4' . . 6.000 5.468 4.182 6.052 0.052 2 0 "[ . 1 . 2]" 3
4 1 12 ARG QD 2 11 C H2' . . 6.000 5.586 4.436 6.017 0.017 14 0 "[ . 1 . 2]" 3
5 1 12 ARG QD 2 11 C H5 . . 6.000 4.012 2.763 5.085 . 0 0 "[ . 1 . 2]" 3
6 1 12 ARG QD 2 11 C H6 . . 6.000 5.346 4.523 6.035 0.035 4 0 "[ . 1 . 2]" 3
7 1 25 LYS QE 2 9 G H8 . . 5.000 3.129 2.264 4.793 . 0 0 "[ . 1 . 2]" 3
8 1 25 LYS HA 2 10 U H5 . . 5.500 5.350 4.269 5.585 0.085 2 0 "[ . 1 . 2]" 3
9 1 24 ARG QD 2 10 U H1' . . 5.000 4.871 4.248 5.171 0.171 2 0 "[ . 1 . 2]" 3
10 1 24 ARG QD 2 10 U H5 . . 4.000 3.154 2.145 4.033 0.033 15 0 "[ . 1 . 2]" 3
11 1 24 ARG QD 2 10 U H6 . . 4.500 2.761 2.184 3.332 . 0 0 "[ . 1 . 2]" 3
12 1 24 ARG QD 2 11 C H5 . . 5.000 3.821 2.449 5.002 0.002 3 0 "[ . 1 . 2]" 3
13 1 25 LYS QD 2 10 U H5 . . 5.000 3.967 2.215 5.026 0.026 7 0 "[ . 1 . 2]" 3
14 1 25 LYS QE 2 10 U H5 . . 4.500 3.050 1.963 4.523 0.023 1 0 "[ . 1 . 2]" 3
15 1 25 LYS QG 2 10 U H5 . . 5.500 3.719 2.955 4.453 . 0 0 "[ . 1 . 2]" 3
16 1 58 PHE HZ 2 11 C H1' . . 5.100 2.128 1.831 2.618 . 0 0 "[ . 1 . 2]" 3
17 1 58 PHE HZ 2 11 C H4' . . 5.100 4.449 3.613 5.115 0.015 16 0 "[ . 1 . 2]" 3
18 1 58 PHE QD 2 11 C H1' . . 5.100 5.043 4.706 5.215 0.115 4 0 "[ . 1 . 2]" 3
19 1 51 LEU QD 2 11 C H4' . . 5.600 4.893 3.939 5.391 . 0 0 "[ . 1 . 2]" 3
20 1 58 PHE QE 2 11 C H1' . . 5.100 2.929 2.383 3.282 . 0 0 "[ . 1 . 2]" 3
21 1 58 PHE QE 2 11 C H4' . . 5.500 5.175 4.490 5.603 0.103 20 0 "[ . 1 . 2]" 3
22 1 51 LEU HA 2 12 U H1' . . 5.500 5.583 5.509 5.688 0.188 14 0 "[ . 1 . 2]" 3
23 1 98 THR MG 2 12 U H1' . . 5.000 4.990 4.732 5.077 0.077 12 0 "[ . 1 . 2]" 3
24 1 98 THR HA 2 12 U H3 . . 5.000 2.798 2.124 3.516 . 0 0 "[ . 1 . 2]" 3
25 1 51 LEU HB2 2 12 U H4' . . 5.500 5.508 5.333 5.593 0.093 1 0 "[ . 1 . 2]" 3
26 1 93 HIS HE1 2 12 U H1' . . 6.000 5.962 5.589 6.053 0.053 14 0 "[ . 1 . 2]" 3
27 1 93 HIS HE1 2 12 U H2' . . 4.500 3.564 2.657 4.533 0.033 15 0 "[ . 1 . 2]" 3
28 1 93 HIS HE1 2 12 U H5' . . 5.400 3.954 2.323 5.425 0.025 10 0 "[ . 1 . 2]" 3
29 1 93 HIS HE1 2 12 U H6 . . 6.000 3.695 2.216 4.646 . 0 0 "[ . 1 . 2]" 3
30 1 51 LEU HG 2 12 U H1' . . 5.100 4.547 3.762 5.114 0.014 18 0 "[ . 1 . 2]" 3
31 1 51 LEU HG 2 12 U H4' . . 5.000 4.235 3.157 5.055 0.055 4 0 "[ . 1 . 2]" 3
32 1 58 PHE HZ 2 12 U H5' . . 4.400 3.261 2.239 4.157 . 0 0 "[ . 1 . 2]" 3
33 1 58 PHE HZ 2 12 U H5'' . . 5.100 3.601 2.230 5.110 0.010 6 0 "[ . 1 . 2]" 3
34 1 58 PHE QD 2 12 U H1' . . 5.100 5.087 4.878 5.157 0.057 14 0 "[ . 1 . 2]" 3
35 1 58 PHE QD 2 12 U H5' . . 5.000 4.838 4.128 5.057 0.057 18 0 "[ . 1 . 2]" 3
36 1 49 LEU MD2 2 12 U H3 . . 5.500 2.776 2.549 3.079 . 0 0 "[ . 1 . 2]" 3
37 1 49 LEU MD2 2 12 U H4' . . 5.000 4.996 4.904 5.052 0.052 16 0 "[ . 1 . 2]" 3
38 1 51 LEU MD2 2 12 U H1' . . 4.500 3.444 2.347 4.124 . 0 0 "[ . 1 . 2]" 3
39 1 51 LEU MD2 2 12 U H2' . . 4.900 4.762 4.444 4.963 0.063 17 0 "[ . 1 . 2]" 3
40 1 51 LEU MD1 2 12 U H3' . . 4.900 4.833 4.613 5.111 0.211 14 0 "[ . 1 . 2]" 3
41 1 51 LEU MD1 2 12 U H4' . . 4.500 2.945 2.357 3.407 . 0 0 "[ . 1 . 2]" 3
42 1 51 LEU MD1 2 12 U H5' . . 4.200 3.788 2.807 4.261 0.061 12 0 "[ . 1 . 2]" 3
43 1 51 LEU MD1 2 12 U H5'' . . 4.500 3.925 2.661 4.658 0.158 2 0 "[ . 1 . 2]" 3
44 1 96 LEU MD2 2 12 U H3 . . 5.500 5.095 4.650 5.520 0.020 11 0 "[ . 1 . 2]" 3
45 1 96 LEU MD2 2 12 U H6 . . 6.000 5.788 5.089 6.109 0.109 11 0 "[ . 1 . 2]" 3
46 1 49 LEU MD2 2 12 U H1' . . 5.000 2.769 2.527 2.984 . 0 0 "[ . 1 . 2]" 3
47 1 49 LEU MD2 2 12 U H6 . . 5.500 3.375 3.016 3.868 . 0 0 "[ . 1 . 2]" 3
48 1 51 LEU MD1 2 12 U H6 . . 5.000 3.332 2.740 3.719 . 0 0 "[ . 1 . 2]" 3
49 1 54 LYS QE 2 12 U H4' . . 5.000 3.390 2.855 3.813 . 0 0 "[ . 1 . 2]" 3
50 1 54 LYS QE 2 12 U H5' . . 5.400 5.294 4.650 5.559 0.159 14 0 "[ . 1 . 2]" 3
51 1 58 PHE QE 2 12 U H4' . . 5.500 3.797 2.948 4.178 . 0 0 "[ . 1 . 2]" 3
52 1 58 PHE QE 2 12 U H5' . . 5.000 2.953 2.326 3.609 . 0 0 "[ . 1 . 2]" 3
53 1 58 PHE QE 2 12 U H5'' . . 5.400 3.244 2.088 4.441 . 0 0 "[ . 1 . 2]" 3
54 1 98 THR MG 2 12 U H3 . . 5.000 3.465 2.345 4.450 . 0 0 "[ . 1 . 2]" 3
55 1 51 LEU MD1 2 13 U H6 . . 5.000 3.876 3.052 4.787 . 0 0 "[ . 1 . 2]" 3
56 1 51 LEU HA 2 13 U H1' . . 5.000 3.369 2.413 3.871 . 0 0 "[ . 1 . 2]" 3
57 1 52 LYS HA 2 13 U H1' . . 5.000 5.063 4.873 5.205 0.205 11 0 "[ . 1 . 2]" 3
58 1 99 ASP QB 2 13 U H5 . . 5.000 4.981 4.348 5.046 0.046 5 0 "[ . 1 . 2]" 3
59 1 100 SER QB 2 13 U H5 . . 5.000 3.622 2.076 4.857 . 0 0 "[ . 1 . 2]" 3
60 1 100 SER QB 2 13 U H6 . . 5.500 4.363 2.845 5.540 0.040 12 0 "[ . 1 . 2]" 3
61 1 101 SER QB 2 13 U H5 . . 5.000 3.688 2.680 5.085 0.085 19 0 "[ . 1 . 2]" 3
62 1 51 LEU HB3 2 13 U H1' . . 5.000 4.155 3.130 5.013 0.013 3 0 "[ . 1 . 2]" 3
63 1 51 LEU HB3 2 13 U H4' . . 5.000 4.141 2.422 5.102 0.102 19 0 "[ . 1 . 2]" 3
64 1 51 LEU HB3 2 13 U Q5' . . 5.500 4.551 3.000 5.591 0.091 12 0 "[ . 1 . 2]" 3
65 1 51 LEU HG 2 13 U H1' . . 5.000 3.651 2.899 5.224 0.224 16 0 "[ . 1 . 2]" 3
66 1 51 LEU HG 2 13 U H4' . . 5.000 4.318 3.563 5.343 0.343 4 0 "[ . 1 . 2]" 3
67 1 51 LEU HG 2 13 U Q5' . . 5.500 3.933 2.805 4.750 . 0 0 "[ . 1 . 2]" 3
68 1 103 ASN QB 2 13 U H1' . . 5.000 4.772 4.045 5.054 0.054 3 0 "[ . 1 . 2]" 3
69 1 54 LYS QD 2 13 U H1' . . 6.000 5.823 4.157 6.076 0.076 17 0 "[ . 1 . 2]" 3
70 1 54 LYS QD 2 13 U H4' . . 4.900 3.521 2.383 4.120 . 0 0 "[ . 1 . 2]" 3
71 1 54 LYS QD 2 13 U H5' . . 5.200 4.084 3.238 5.287 0.087 7 0 "[ . 1 . 2]" 3
72 1 54 LYS QB 2 13 U H1' . . 5.500 4.572 3.707 5.566 0.066 4 0 "[ . 1 . 2]" 3
73 1 49 LEU MD1 2 13 U H1' . . 5.500 5.526 5.072 5.612 0.112 14 0 "[ . 1 . 2]" 3
74 1 51 LEU MD2 2 13 U H2' . . 5.000 4.566 3.876 4.951 . 0 0 "[ . 1 . 2]" 3
75 1 51 LEU MD2 2 13 U H4' . . 4.900 3.233 2.864 3.578 . 0 0 "[ . 1 . 2]" 3
76 1 51 LEU MD2 2 13 U H5' . . 4.500 2.527 2.105 4.172 . 0 0 "[ . 1 . 2]" 3
77 1 49 LEU MD1 2 13 U H5 . . 5.500 4.320 3.841 4.657 . 0 0 "[ . 1 . 2]" 3
78 1 51 LEU MD2 2 13 U H1' . . 4.500 3.894 3.229 4.524 0.024 13 0 "[ . 1 . 2]" 3
79 1 51 LEU MD2 2 13 U H3' . . 5.000 4.897 4.586 5.072 0.072 14 0 "[ . 1 . 2]" 3
80 1 54 LYS QE 2 13 U H1' . . 5.000 4.751 2.688 5.087 0.087 15 0 "[ . 1 . 2]" 3
81 1 54 LYS QE 2 13 U H3' . . 5.000 4.303 3.795 4.817 . 0 0 "[ . 1 . 2]" 3
82 1 54 LYS QE 2 13 U H4' . . 4.500 2.195 1.899 2.885 . 0 0 "[ . 1 . 2]" 3
83 1 54 LYS QE 2 13 U H5' . . 4.500 2.438 1.763 3.601 . 0 0 "[ . 1 . 2]" 3
84 1 54 LYS QE 2 13 U Q5' . . 5.000 2.261 1.729 3.358 . 0 0 "[ . 1 . 2]" 3
85 1 54 LYS QG 2 13 U H4' . . 5.000 3.406 2.080 4.225 . 0 0 "[ . 1 . 2]" 3
86 1 54 LYS HA 2 14 U H5 . . 5.000 3.375 2.417 4.002 . 0 0 "[ . 1 . 2]" 3
87 1 54 LYS HA 2 14 U H6 . . 5.000 4.673 3.962 5.199 0.199 14 0 "[ . 1 . 2]" 3
88 1 53 GLY QA 2 13 U H1' . . 5.000 3.630 1.972 4.673 . 0 0 "[ . 1 . 2]" 3
89 1 54 LYS QE 2 14 U H6 . . 5.000 3.637 2.686 5.007 0.007 15 0 "[ . 1 . 2]" 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 337
_Distance_constraint_stats_list.Viol_count 1997
_Distance_constraint_stats_list.Viol_total 10208.413
_Distance_constraint_stats_list.Viol_max 3.399
_Distance_constraint_stats_list.Viol_rms 0.1895
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0757
_Distance_constraint_stats_list.Viol_average_violations_only 0.2556
_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
2 1 G 38.296 1.175 5 20 [****+**-************]
2 2 G 62.548 1.175 5 20 [****+**-************]
2 3 G 58.753 0.862 2 20 [*+**********-*******]
2 4 A 66.247 0.842 16 20 [************-**+****]
2 5 C 69.726 1.042 1 20 [+****************-**]
2 6 C 49.042 1.042 1 20 [+*******************]
2 7 U 47.779 1.094 5 20 [-***+***************]
2 8 G 68.269 2.040 18 20 [*****************+**]
2 9 G 40.530 2.040 18 18 "[ * **************+**]"
2 10 U 13.412 0.802 10 11 "[ * *** *+ * *-**]"
2 11 C 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 U 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 U 0.000 0.000 . 0 "[ . 1 . 2]"
2 14 U 13.412 0.802 10 11 "[ * *** *+ * *-**]"
2 15 C 37.633 1.694 18 17 "[ ********1****.**+**]"
2 16 C 41.762 1.694 18 17 "[ ********1****.**+**]"
2 17 A 37.654 0.884 16 20 [-**************+****]
2 18 G 55.083 0.884 16 20 [-**************+****]
2 19 G 71.218 0.940 12 20 [**-********+********]
2 20 U 79.964 1.007 16 20 [***************+-***]
2 21 C 65.103 1.007 16 20 [*******-*******+****]
2 22 C 48.601 3.399 8 20 [*******+************]
2 23 C 27.428 3.399 8 4 "[ - * + 1 . * 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 2 1 G C4' 2 1 G O4' . . 1.440 1.421 1.419 1.423 . 0 0 "[ . 1 . 2]" 4
2 2 2 G C4' 2 2 G O4' . . 1.440 1.421 1.418 1.424 . 0 0 "[ . 1 . 2]" 4
3 2 3 G C4' 2 3 G O4' . . 1.440 1.420 1.418 1.425 . 0 0 "[ . 1 . 2]" 4
4 2 8 G C4' 2 8 G O4' . . 1.440 1.420 1.418 1.425 . 0 0 "[ . 1 . 2]" 4
5 2 9 G C4' 2 9 G O4' . . 1.440 1.418 1.415 1.421 . 0 0 "[ . 1 . 2]" 4
6 2 18 G C4' 2 18 G O4' . . 1.440 1.420 1.418 1.424 . 0 0 "[ . 1 . 2]" 4
7 2 19 G C4' 2 19 G O4' . . 1.440 1.420 1.418 1.423 . 0 0 "[ . 1 . 2]" 4
8 2 4 A C4' 2 4 A O4' . . 1.440 1.420 1.418 1.423 . 0 0 "[ . 1 . 2]" 4
9 2 17 A C4' 2 17 A O4' . . 1.440 1.420 1.418 1.423 . 0 0 "[ . 1 . 2]" 4
10 2 7 U C4' 2 7 U O4' . . 1.440 1.422 1.420 1.424 . 0 0 "[ . 1 . 2]" 4
11 2 10 U C4' 2 10 U O4' . . 1.440 1.423 1.418 1.430 . 0 0 "[ . 1 . 2]" 4
12 2 12 U C4' 2 12 U O4' . . 1.440 1.418 1.413 1.423 . 0 0 "[ . 1 . 2]" 4
13 2 13 U C4' 2 13 U O4' . . 1.440 1.414 1.409 1.422 . 0 0 "[ . 1 . 2]" 4
14 2 14 U C4' 2 14 U O4' . . 1.440 1.424 1.420 1.427 . 0 0 "[ . 1 . 2]" 4
15 2 20 U C4' 2 20 U O4' . . 1.440 1.421 1.419 1.423 . 0 0 "[ . 1 . 2]" 4
16 2 5 C C4' 2 5 C O4' . . 1.440 1.421 1.419 1.424 . 0 0 "[ . 1 . 2]" 4
17 2 6 C C4' 2 6 C O4' . . 1.440 1.422 1.419 1.425 . 0 0 "[ . 1 . 2]" 4
18 2 11 C C4' 2 11 C O4' . . 1.440 1.419 1.417 1.422 . 0 0 "[ . 1 . 2]" 4
19 2 15 C C4' 2 15 C O4' . . 1.440 1.422 1.415 1.427 . 0 0 "[ . 1 . 2]" 4
20 2 16 C C4' 2 16 C O4' . . 1.440 1.420 1.416 1.422 . 0 0 "[ . 1 . 2]" 4
21 2 21 C C4' 2 21 C O4' . . 1.440 1.421 1.420 1.423 . 0 0 "[ . 1 . 2]" 4
22 2 22 C C4' 2 22 C O4' . . 1.440 1.422 1.420 1.423 . 0 0 "[ . 1 . 2]" 4
23 2 23 C C4' 2 23 C O4' . . 1.440 1.421 1.418 1.423 . 0 0 "[ . 1 . 2]" 4
24 2 1 G H4' 2 1 G O4' . . 2.100 2.053 2.042 2.060 . 0 0 "[ . 1 . 2]" 4
25 2 2 G H4' 2 2 G O4' . . 2.100 2.046 2.042 2.050 . 0 0 "[ . 1 . 2]" 4
26 2 3 G H4' 2 3 G O4' . . 2.100 2.046 2.040 2.054 . 0 0 "[ . 1 . 2]" 4
27 2 8 G H4' 2 8 G O4' . . 2.100 2.043 2.038 2.051 . 0 0 "[ . 1 . 2]" 4
28 2 9 G H4' 2 9 G O4' . . 2.100 2.048 2.021 2.056 . 0 0 "[ . 1 . 2]" 4
29 2 18 G H4' 2 18 G O4' . . 2.100 2.046 2.041 2.050 . 0 0 "[ . 1 . 2]" 4
30 2 19 G H4' 2 19 G O4' . . 2.100 2.045 2.042 2.049 . 0 0 "[ . 1 . 2]" 4
31 2 4 A H4' 2 4 A O4' . . 2.100 2.045 2.039 2.051 . 0 0 "[ . 1 . 2]" 4
32 2 17 A H4' 2 17 A O4' . . 2.100 2.044 2.035 2.049 . 0 0 "[ . 1 . 2]" 4
33 2 7 U H4' 2 7 U O4' . . 2.100 2.048 2.042 2.052 . 0 0 "[ . 1 . 2]" 4
34 2 10 U H4' 2 10 U O4' . . 2.100 2.075 2.063 2.092 . 0 0 "[ . 1 . 2]" 4
35 2 12 U H4' 2 12 U O4' . . 2.100 2.063 2.036 2.077 . 0 0 "[ . 1 . 2]" 4
36 2 13 U H4' 2 13 U O4' . . 2.100 2.047 2.023 2.087 . 0 0 "[ . 1 . 2]" 4
37 2 14 U H4' 2 14 U O4' . . 2.100 2.050 2.040 2.060 . 0 0 "[ . 1 . 2]" 4
38 2 20 U H4' 2 20 U O4' . . 2.100 2.046 2.042 2.051 . 0 0 "[ . 1 . 2]" 4
39 2 5 C H4' 2 5 C O4' . . 2.100 2.047 2.041 2.051 . 0 0 "[ . 1 . 2]" 4
40 2 6 C H4' 2 6 C O4' . . 2.100 2.045 2.039 2.049 . 0 0 "[ . 1 . 2]" 4
41 2 11 C H4' 2 11 C O4' . . 2.100 2.067 2.048 2.083 . 0 0 "[ . 1 . 2]" 4
42 2 15 C H4' 2 15 C O4' . . 2.100 2.038 2.017 2.054 . 0 0 "[ . 1 . 2]" 4
43 2 16 C H4' 2 16 C O4' . . 2.100 2.046 2.041 2.051 . 0 0 "[ . 1 . 2]" 4
44 2 21 C H4' 2 21 C O4' . . 2.100 2.046 2.042 2.050 . 0 0 "[ . 1 . 2]" 4
45 2 22 C H4' 2 22 C O4' . . 2.100 2.044 2.038 2.049 . 0 0 "[ . 1 . 2]" 4
46 2 23 C H4' 2 23 C O4' . . 2.100 2.042 2.037 2.056 . 0 0 "[ . 1 . 2]" 4
47 2 1 G H21 2 23 C O2 . . 1.800 1.865 1.822 1.944 0.144 8 0 "[ . 1 . 2]" 4
48 2 1 G N2 2 23 C O2 . . 3.000 2.873 2.830 2.938 . 0 0 "[ . 1 . 2]" 4
49 2 1 G H1 2 23 C N3 . . 1.800 1.948 1.935 2.001 0.201 8 0 "[ . 1 . 2]" 4
50 2 1 G N1 2 23 C N3 . . 3.000 2.948 2.875 2.963 . 0 0 "[ . 1 . 2]" 4
51 2 1 G O6 2 23 C H41 . . 1.800 1.937 1.916 2.014 0.214 8 0 "[ . 1 . 2]" 4
52 2 1 G O6 2 23 C N4 . . 3.000 2.903 2.885 2.961 . 0 0 "[ . 1 . 2]" 4
53 2 1 G C1' 2 23 C C1' . . 10.900 10.631 9.977 10.693 . 0 0 "[ . 1 . 2]" 4
54 2 2 G H21 2 22 C O2 . . 1.800 1.857 1.832 1.896 0.096 8 0 "[ . 1 . 2]" 4
55 2 2 G N2 2 22 C O2 . . 3.000 2.866 2.842 2.901 . 0 0 "[ . 1 . 2]" 4
56 2 2 G H1 2 22 C N3 . . 1.800 1.954 1.943 1.968 0.168 18 0 "[ . 1 . 2]" 4
57 2 2 G N1 2 22 C N3 . . 3.000 2.962 2.951 2.976 . 0 0 "[ . 1 . 2]" 4
58 2 2 G O6 2 22 C H41 . . 1.800 1.926 1.896 1.962 0.162 9 0 "[ . 1 . 2]" 4
59 2 2 G O6 2 22 C N4 . . 3.000 2.928 2.901 2.956 . 0 0 "[ . 1 . 2]" 4
60 2 2 G C1' 2 22 C C1' . . 10.900 10.728 10.699 10.786 . 0 0 "[ . 1 . 2]" 4
61 2 3 G H21 2 21 C O2 . . 1.800 1.833 1.818 1.861 0.061 8 0 "[ . 1 . 2]" 4
62 2 3 G N2 2 21 C O2 . . 3.000 2.839 2.823 2.866 . 0 0 "[ . 1 . 2]" 4
63 2 3 G H1 2 21 C N3 . . 1.800 1.950 1.936 1.965 0.165 4 0 "[ . 1 . 2]" 4
64 2 3 G N1 2 21 C N3 . . 3.000 2.956 2.941 2.973 . 0 0 "[ . 1 . 2]" 4
65 2 3 G O6 2 21 C H41 . . 1.800 1.960 1.923 2.001 0.201 18 0 "[ . 1 . 2]" 4
66 2 3 G O6 2 21 C N4 . . 3.000 2.963 2.929 2.996 . 0 0 "[ . 1 . 2]" 4
67 2 3 G C1' 2 21 C C1' . . 10.900 10.685 10.650 10.722 . 0 0 "[ . 1 . 2]" 4
68 2 4 A N1 2 20 U H3 . . 1.800 1.926 1.913 1.937 0.137 19 0 "[ . 1 . 2]" 4
69 2 4 A N1 2 20 U N3 . . 3.000 2.933 2.920 2.945 . 0 0 "[ . 1 . 2]" 4
70 2 4 A H61 2 20 U O4 . . 1.800 1.970 1.933 2.007 0.207 8 0 "[ . 1 . 2]" 4
71 2 4 A N6 2 20 U O4 . . 3.000 2.973 2.938 3.006 0.006 12 0 "[ . 1 . 2]" 4
72 2 4 A C1' 2 20 U C1' . . 10.650 10.686 10.622 10.726 0.076 19 0 "[ . 1 . 2]" 4
73 2 5 C O2 2 19 G H21 . . 1.800 1.846 1.817 1.878 0.078 1 0 "[ . 1 . 2]" 4
74 2 5 C O2 2 19 G N2 . . 3.000 2.851 2.824 2.874 . 0 0 "[ . 1 . 2]" 4
75 2 5 C N3 2 19 G H1 . . 1.800 1.936 1.925 1.953 0.153 5 0 "[ . 1 . 2]" 4
76 2 5 C N3 2 19 G N1 . . 3.000 2.940 2.927 2.956 . 0 0 "[ . 1 . 2]" 4
77 2 5 C H41 2 19 G O6 . . 1.800 1.957 1.922 2.002 0.202 9 0 "[ . 1 . 2]" 4
78 2 5 C N4 2 19 G O6 . . 3.000 2.958 2.922 3.003 0.003 9 0 "[ . 1 . 2]" 4
79 2 5 C C1' 2 19 G C1' . . 10.900 10.680 10.644 10.709 . 0 0 "[ . 1 . 2]" 4
80 2 6 C O2 2 18 G H21 . . 1.800 1.831 1.818 1.847 0.047 14 0 "[ . 1 . 2]" 4
81 2 6 C O2 2 18 G N2 . . 3.000 2.836 2.825 2.856 . 0 0 "[ . 1 . 2]" 4
82 2 6 C N3 2 18 G H1 . . 1.800 1.930 1.917 1.944 0.144 1 0 "[ . 1 . 2]" 4
83 2 6 C N3 2 18 G N1 . . 3.000 2.933 2.922 2.950 . 0 0 "[ . 1 . 2]" 4
84 2 6 C H41 2 18 G O6 . . 1.800 1.925 1.906 1.947 0.147 7 0 "[ . 1 . 2]" 4
85 2 6 C N4 2 18 G O6 . . 3.000 2.928 2.908 2.949 . 0 0 "[ . 1 . 2]" 4
86 2 6 C C1' 2 18 G C1' . . 10.900 10.667 10.629 10.729 . 0 0 "[ . 1 . 2]" 4
87 2 7 U H3 2 17 A N1 . . 1.800 1.884 1.861 1.939 0.139 1 0 "[ . 1 . 2]" 4
88 2 7 U N3 2 17 A N1 . . 3.000 2.885 2.858 2.931 . 0 0 "[ . 1 . 2]" 4
89 2 7 U O4 2 17 A H61 . . 1.800 1.983 1.905 2.015 0.215 4 0 "[ . 1 . 2]" 4
90 2 7 U O4 2 17 A N6 . . 3.000 2.988 2.913 3.020 0.020 18 0 "[ . 1 . 2]" 4
91 2 7 U C1' 2 17 A C1' . . 10.650 10.546 10.458 10.710 0.060 1 0 "[ . 1 . 2]" 4
92 2 8 G H21 2 16 C O2 . . 1.800 1.936 1.890 2.012 0.212 18 0 "[ . 1 . 2]" 4
93 2 8 G N2 2 16 C O2 . . 3.000 2.942 2.883 3.020 0.020 18 0 "[ . 1 . 2]" 4
94 2 8 G H1 2 16 C N3 . . 1.800 1.944 1.896 2.013 0.213 18 0 "[ . 1 . 2]" 4
95 2 8 G N1 2 16 C N3 . . 3.000 2.940 2.892 3.009 0.009 18 0 "[ . 1 . 2]" 4
96 2 8 G O6 2 16 C H41 . . 1.800 1.878 1.818 1.963 0.163 1 0 "[ . 1 . 2]" 4
97 2 8 G O6 2 16 C N4 . . 3.000 2.882 2.822 2.953 . 0 0 "[ . 1 . 2]" 4
98 2 8 G C1' 2 16 C C1' . . 10.900 10.803 10.701 10.918 0.018 18 0 "[ . 1 . 2]" 4
99 2 9 G H21 2 15 C O2 . . 1.800 1.874 1.766 1.960 0.160 16 0 "[ . 1 . 2]" 4
100 2 9 G H1 2 15 C N3 . . 1.800 1.992 1.947 2.029 0.229 20 0 "[ . 1 . 2]" 4
101 2 9 G O6 2 15 C H41 . . 1.800 2.039 1.977 2.087 0.287 1 0 "[ . 1 . 2]" 4
102 2 10 U H3 2 14 U O4 . . 1.800 1.960 1.825 2.171 0.371 5 0 "[ . 1 . 2]" 4
103 2 10 U N3 2 14 U O4 . . 3.500 2.873 2.742 3.053 . 0 0 "[ . 1 . 2]" 4
104 2 1 G H8 2 17 A H8 . . 18.000 16.895 15.933 17.627 . 0 0 "[ . 1 . 2]" 4
105 2 2 G H8 2 16 C H6 . . 18.000 16.124 15.069 16.926 . 0 0 "[ . 1 . 2]" 4
106 2 10 U O2 2 14 U H3 . . 1.800 2.310 1.853 2.602 0.802 10 11 "[ * *** *+ * *-**]" 4
107 2 10 U O2 2 14 U N3 . . 3.500 3.180 2.733 3.492 . 0 0 "[ . 1 . 2]" 4
108 2 1 G H1' 2 2 G H1' . . 5.000 5.830 5.595 6.175 1.175 5 20 [****+**-************] 4
109 2 1 G H8 2 2 G H8 . . 5.000 4.979 4.878 5.204 0.204 18 0 "[ . 1 . 2]" 4
110 2 1 G H2' 2 1 G H8 . . 4.500 4.091 3.937 4.191 . 0 0 "[ . 1 . 2]" 4
111 2 1 G H3' 2 1 G H8 . . 3.000 2.799 2.663 2.932 . 0 0 "[ . 1 . 2]" 4
112 2 1 G H4' 2 1 G H8 . . 4.500 4.219 4.151 4.296 . 0 0 "[ . 1 . 2]" 4
113 2 1 G H5' 2 1 G H8 . . 3.700 3.534 2.202 3.968 0.268 18 0 "[ . 1 . 2]" 4
114 2 1 G H5'' 2 1 G H8 . . 4.500 2.758 2.210 4.248 . 0 0 "[ . 1 . 2]" 4
115 2 1 G H1' 2 1 G H8 . . 3.700 3.764 3.726 3.804 0.104 8 0 "[ . 1 . 2]" 4
116 2 2 G H1' 2 3 G H1' . . 5.000 5.728 5.640 5.862 0.862 2 20 [*+*****-************] 4
117 2 2 G H8 2 3 G H8 . . 5.000 4.909 4.756 4.981 . 0 0 "[ . 1 . 2]" 4
118 2 1 G H1' 2 2 G H8 . . 4.500 4.732 4.661 4.801 0.301 5 0 "[ . 1 . 2]" 4
119 2 1 G H2' 2 2 G H8 . . 2.500 2.218 2.079 2.319 . 0 0 "[ . 1 . 2]" 4
120 2 1 G H3' 2 2 G H8 . . 3.000 3.277 3.215 3.393 0.393 18 0 "[ . 1 . 2]" 4
121 2 2 G H1' 2 2 G H8 . . 3.700 3.787 3.770 3.813 0.113 8 0 "[ . 1 . 2]" 4
122 2 2 G H2' 2 2 G H8 . . 4.500 4.008 3.927 4.062 . 0 0 "[ . 1 . 2]" 4
123 2 2 G H3' 2 2 G H8 . . 3.700 2.776 2.640 2.846 . 0 0 "[ . 1 . 2]" 4
124 2 2 G H4' 2 2 G H8 . . 4.500 4.308 4.276 4.326 . 0 0 "[ . 1 . 2]" 4
125 2 2 G H5' 2 2 G H8 . . 3.700 3.799 3.738 3.842 0.142 14 0 "[ . 1 . 2]" 4
126 2 2 G H5'' 2 2 G H8 . . 4.500 4.203 4.137 4.235 . 0 0 "[ . 1 . 2]" 4
127 2 3 G H1' 2 4 A H1' . . 5.000 5.676 5.561 5.842 0.842 16 20 [************-**+****] 4
128 2 3 G H8 2 4 A H8 . . 5.000 4.836 4.768 4.885 . 0 0 "[ . 1 . 2]" 4
129 2 3 G H1' 2 3 G H8 . . 3.700 3.794 3.782 3.809 0.109 18 0 "[ . 1 . 2]" 4
130 2 3 G H2' 2 3 G H8 . . 4.500 3.994 3.939 4.022 . 0 0 "[ . 1 . 2]" 4
131 2 3 G H3' 2 3 G H8 . . 3.700 2.765 2.704 2.799 . 0 0 "[ . 1 . 2]" 4
132 2 3 G H4' 2 3 G H8 . . 4.500 4.313 4.299 4.327 . 0 0 "[ . 1 . 2]" 4
133 2 3 G H5' 2 3 G H8 . . 3.700 3.813 3.786 3.843 0.143 10 0 "[ . 1 . 2]" 4
134 2 3 G H5'' 2 3 G H8 . . 4.500 4.203 4.179 4.223 . 0 0 "[ . 1 . 2]" 4
135 2 2 G H1' 2 3 G H8 . . 4.500 4.687 4.653 4.739 0.239 18 0 "[ . 1 . 2]" 4
136 2 2 G H2' 2 3 G H8 . . 2.500 2.125 2.086 2.152 . 0 0 "[ . 1 . 2]" 4
137 2 2 G H3' 2 3 G H8 . . 3.000 3.321 3.246 3.383 0.383 9 0 "[ . 1 . 2]" 4
138 2 2 G H4' 2 3 G H8 . . 6.000 5.574 5.549 5.616 . 0 0 "[ . 1 . 2]" 4
139 2 4 A H1' 2 5 C H1' . . 5.000 5.686 5.623 5.758 0.758 3 20 [**+**************-**] 4
140 2 4 A H8 2 5 C H6 . . 5.000 4.977 4.877 5.053 0.053 14 0 "[ . 1 . 2]" 4
141 2 4 A H1' 2 4 A H8 . . 3.700 3.798 3.785 3.813 0.113 18 0 "[ . 1 . 2]" 4
142 2 4 A H2' 2 4 A H8 . . 4.500 3.993 3.945 4.039 . 0 0 "[ . 1 . 2]" 4
143 2 4 A H3' 2 4 A H8 . . 3.700 2.775 2.713 2.831 . 0 0 "[ . 1 . 2]" 4
144 2 4 A H4' 2 4 A H8 . . 4.500 4.314 4.300 4.329 . 0 0 "[ . 1 . 2]" 4
145 2 4 A H5' 2 4 A H8 . . 3.700 3.818 3.769 3.847 0.147 9 0 "[ . 1 . 2]" 4
146 2 4 A H5'' 2 4 A H8 . . 4.500 4.188 4.156 4.226 . 0 0 "[ . 1 . 2]" 4
147 2 4 A H1' 2 4 A H2 . . 6.000 4.658 4.626 4.682 . 0 0 "[ . 1 . 2]" 4
148 2 4 A H2 2 4 A H2' . . 6.000 4.709 4.648 4.798 . 0 0 "[ . 1 . 2]" 4
149 2 4 A H2 2 21 C H1' . . 4.500 3.400 3.242 3.535 . 0 0 "[ . 1 . 2]" 4
150 2 4 A H2 2 5 C H1' . . 3.700 3.549 3.474 3.690 . 0 0 "[ . 1 . 2]" 4
151 2 4 A H2 2 5 C H6 . . 5.000 5.052 4.940 5.254 0.254 18 0 "[ . 1 . 2]" 4
152 2 4 A H2 2 21 C H6 . . 6.000 5.142 5.037 5.269 . 0 0 "[ . 1 . 2]" 4
153 2 3 G H1' 2 4 A H8 . . 4.500 4.721 4.648 4.770 0.270 18 0 "[ . 1 . 2]" 4
154 2 3 G H2' 2 4 A H8 . . 2.500 2.152 2.075 2.191 . 0 0 "[ . 1 . 2]" 4
155 2 3 G H3' 2 4 A H8 . . 3.000 3.254 3.200 3.304 0.304 18 0 "[ . 1 . 2]" 4
156 2 3 G H4' 2 4 A H8 . . 6.000 5.557 5.503 5.594 . 0 0 "[ . 1 . 2]" 4
157 2 5 C H1' 2 6 C H1' . . 5.000 5.787 5.625 6.042 1.042 1 20 [+*********-*********] 4
158 2 5 C H6 2 6 C H6 . . 5.000 4.920 4.812 5.066 0.066 1 0 "[ . 1 . 2]" 4
159 2 5 C H1' 2 5 C H5 . . 6.000 5.361 5.354 5.373 . 0 0 "[ . 1 . 2]" 4
160 2 5 C H2' 2 5 C H5 . . 6.000 5.249 5.227 5.277 . 0 0 "[ . 1 . 2]" 4
161 2 5 C H3' 2 5 C H5 . . 6.000 4.389 4.359 4.420 . 0 0 "[ . 1 . 2]" 4
162 2 5 C H2' 2 5 C H6 . . 4.500 3.819 3.792 3.848 . 0 0 "[ . 1 . 2]" 4
163 2 5 C H3' 2 5 C H6 . . 3.700 2.546 2.499 2.589 . 0 0 "[ . 1 . 2]" 4
164 2 5 C H4' 2 5 C H6 . . 4.500 4.040 4.030 4.056 . 0 0 "[ . 1 . 2]" 4
165 2 5 C H5' 2 5 C H6 . . 3.700 3.624 3.598 3.655 . 0 0 "[ . 1 . 2]" 4
166 2 5 C H5'' 2 5 C H6 . . 4.500 3.995 3.976 4.019 . 0 0 "[ . 1 . 2]" 4
167 2 4 A H1' 2 5 C H6 . . 4.500 4.780 4.750 4.828 0.328 5 0 "[ . 1 . 2]" 4
168 2 4 A H2' 2 5 C H6 . . 2.500 2.178 2.146 2.228 . 0 0 "[ . 1 . 2]" 4
169 2 4 A H3' 2 5 C H6 . . 3.000 3.344 3.285 3.386 0.386 15 0 "[ . 1 . 2]" 4
170 2 4 A H4' 2 5 C H6 . . 6.000 5.599 5.573 5.635 . 0 0 "[ . 1 . 2]" 4
171 2 4 A H1' 2 5 C H5 . . 6.000 5.789 5.714 5.827 . 0 0 "[ . 1 . 2]" 4
172 2 4 A H2' 2 5 C H5 . . 3.700 3.815 3.742 3.873 0.173 2 0 "[ . 1 . 2]" 4
173 2 4 A H3' 2 5 C H5 . . 3.700 3.814 3.757 3.875 0.175 4 0 "[ . 1 . 2]" 4
174 2 4 A H8 2 5 C H5 . . 4.500 4.332 4.175 4.424 . 0 0 "[ . 1 . 2]" 4
175 2 5 C H5 2 6 C H5 . . 5.000 3.929 3.772 4.070 . 0 0 "[ . 1 . 2]" 4
176 2 6 C H1' 2 6 C H5 . . 6.000 5.346 5.339 5.358 . 0 0 "[ . 1 . 2]" 4
177 2 6 C H2' 2 6 C H5 . . 6.000 5.220 5.187 5.243 . 0 0 "[ . 1 . 2]" 4
178 2 6 C H3' 2 6 C H5 . . 6.000 4.348 4.322 4.376 . 0 0 "[ . 1 . 2]" 4
179 2 6 C H2' 2 6 C H6 . . 4.500 3.798 3.728 3.832 . 0 0 "[ . 1 . 2]" 4
180 2 6 C H3' 2 6 C H6 . . 3.700 2.514 2.426 2.565 . 0 0 "[ . 1 . 2]" 4
181 2 6 C H4' 2 6 C H6 . . 4.500 4.039 4.022 4.063 . 0 0 "[ . 1 . 2]" 4
182 2 6 C H5' 2 6 C H6 . . 3.700 3.619 3.586 3.652 . 0 0 "[ . 1 . 2]" 4
183 2 6 C H5'' 2 6 C H6 . . 4.500 4.003 3.988 4.025 . 0 0 "[ . 1 . 2]" 4
184 2 5 C H1' 2 6 C H6 . . 4.500 4.757 4.685 4.898 0.398 1 0 "[ . 1 . 2]" 4
185 2 5 C H2' 2 6 C H6 . . 2.500 2.149 2.083 2.279 . 0 0 "[ . 1 . 2]" 4
186 2 5 C H3' 2 6 C H6 . . 3.000 3.396 3.334 3.492 0.492 3 0 "[ . 1 . 2]" 4
187 2 5 C H4' 2 6 C H6 . . 6.000 5.585 5.537 5.693 . 0 0 "[ . 1 . 2]" 4
188 2 5 C H1' 2 6 C H5 . . 6.000 5.646 5.584 5.703 . 0 0 "[ . 1 . 2]" 4
189 2 5 C H2' 2 6 C H5 . . 3.700 3.685 3.625 3.742 0.042 16 0 "[ . 1 . 2]" 4
190 2 5 C H3' 2 6 C H5 . . 3.700 3.783 3.715 3.847 0.147 9 0 "[ . 1 . 2]" 4
191 2 7 U H1' 2 8 G H1' . . 5.000 5.881 5.571 6.094 1.094 5 20 [-***+***************] 4
192 2 7 U H1' 2 7 U H5 . . 6.000 5.365 5.350 5.392 . 0 0 "[ . 1 . 2]" 4
193 2 7 U H2' 2 7 U H5 . . 6.000 5.272 5.177 5.323 . 0 0 "[ . 1 . 2]" 4
194 2 7 U H3' 2 7 U H5 . . 6.000 4.380 4.250 4.450 . 0 0 "[ . 1 . 2]" 4
195 2 7 U H2' 2 7 U H6 . . 4.500 3.833 3.699 3.887 . 0 0 "[ . 1 . 2]" 4
196 2 7 U H3' 2 7 U H6 . . 3.700 2.581 2.373 2.672 . 0 0 "[ . 1 . 2]" 4
197 2 7 U H4' 2 7 U H6 . . 4.500 4.052 4.015 4.074 . 0 0 "[ . 1 . 2]" 4
198 2 7 U H5' 2 7 U H6 . . 3.700 3.655 3.627 3.678 . 0 0 "[ . 1 . 2]" 4
199 2 7 U H5'' 2 7 U H6 . . 4.500 4.020 3.965 4.057 . 0 0 "[ . 1 . 2]" 4
200 2 6 C H2' 2 7 U H6 . . 2.500 2.081 2.018 2.159 . 0 0 "[ . 1 . 2]" 4
201 2 6 C H3' 2 7 U H6 . . 3.000 3.385 3.320 3.546 0.546 1 1 "[+ . 1 . 2]" 4
202 2 6 C H4' 2 7 U H6 . . 6.000 5.550 5.504 5.637 . 0 0 "[ . 1 . 2]" 4
203 2 6 C H1' 2 7 U H6 . . 4.500 4.660 4.585 4.762 0.262 1 0 "[ . 1 . 2]" 4
204 2 6 C H6 2 7 U H6 . . 5.000 4.840 4.763 4.962 . 0 0 "[ . 1 . 2]" 4
205 2 6 C H1' 2 7 U H5 . . 6.000 5.661 5.520 5.754 . 0 0 "[ . 1 . 2]" 4
206 2 6 C H2' 2 7 U H5 . . 4.500 3.694 3.576 3.766 . 0 0 "[ . 1 . 2]" 4
207 2 6 C H3' 2 7 U H5 . . 3.700 3.783 3.734 3.863 0.163 1 0 "[ . 1 . 2]" 4
208 2 6 C H6 2 7 U H5 . . 4.500 4.296 4.223 4.382 . 0 0 "[ . 1 . 2]" 4
209 2 8 G H8 2 9 G H8 . . 5.000 4.868 4.631 5.303 0.303 18 0 "[ . 1 . 2]" 4
210 2 8 G H1' 2 9 G H1' . . 5.000 5.429 5.318 5.699 0.699 20 5 "[ * . *1 * . - +]" 4
211 2 8 G H1' 2 8 G H8 . . 4.500 3.795 3.769 3.830 . 0 0 "[ . 1 . 2]" 4
212 2 8 G H2' 2 8 G H8 . . 4.500 3.988 3.897 4.072 . 0 0 "[ . 1 . 2]" 4
213 2 8 G H3' 2 8 G H8 . . 3.700 2.749 2.648 2.855 . 0 0 "[ . 1 . 2]" 4
214 2 8 G H4' 2 8 G H8 . . 4.500 4.276 4.210 4.304 . 0 0 "[ . 1 . 2]" 4
215 2 8 G H5' 2 8 G H8 . . 3.700 3.741 3.582 3.791 0.091 6 0 "[ . 1 . 2]" 4
216 2 8 G H5'' 2 8 G H8 . . 4.500 4.144 4.055 4.199 . 0 0 "[ . 1 . 2]" 4
217 2 7 U H1' 2 8 G H8 . . 4.500 4.686 4.560 4.877 0.377 12 0 "[ . 1 . 2]" 4
218 2 7 U H2' 2 8 G H8 . . 2.500 2.099 1.958 2.283 . 0 0 "[ . 1 . 2]" 4
219 2 7 U H3' 2 8 G H8 . . 3.000 3.414 3.294 3.485 0.485 18 0 "[ . 1 . 2]" 4
220 2 7 U H4' 2 8 G H8 . . 6.000 5.569 5.410 5.704 . 0 0 "[ . 1 . 2]" 4
221 2 8 G H2' 2 9 G H8 . . 2.500 2.795 1.924 4.540 2.040 18 3 "[ . 1 . -+*2]" 4
222 2 8 G H3' 2 9 G H8 . . 3.000 3.692 3.055 4.893 1.893 18 14 "[ -**** *** ****+*2]" 4
223 2 15 C H5 2 16 C H6 . . 6.000 6.048 5.491 6.542 0.542 18 1 "[ . 1 . + 2]" 4
224 2 16 C H1' 2 16 C H5 . . 6.000 5.330 5.302 5.359 . 0 0 "[ . 1 . 2]" 4
225 2 16 C H2' 2 16 C H5 . . 6.000 5.323 5.224 5.413 . 0 0 "[ . 1 . 2]" 4
226 2 16 C H3' 2 16 C H5 . . 6.000 4.463 4.371 4.583 . 0 0 "[ . 1 . 2]" 4
227 2 16 C H2' 2 16 C H6 . . 4.500 3.889 3.767 4.016 . 0 0 "[ . 1 . 2]" 4
228 2 16 C H3' 2 16 C H6 . . 3.700 2.659 2.495 2.866 . 0 0 "[ . 1 . 2]" 4
229 2 16 C H4' 2 16 C H6 . . 4.500 4.051 4.025 4.089 . 0 0 "[ . 1 . 2]" 4
230 2 16 C H5' 2 16 C H6 . . 3.700 3.620 3.516 3.724 0.024 18 0 "[ . 1 . 2]" 4
231 2 16 C H5'' 2 16 C H6 . . 4.500 3.983 3.942 4.028 . 0 0 "[ . 1 . 2]" 4
232 2 15 C H1' 2 16 C H6 . . 4.500 4.682 4.592 4.765 0.265 15 0 "[ . 1 . 2]" 4
233 2 15 C H2' 2 16 C H6 . . 2.500 2.119 2.033 2.189 . 0 0 "[ . 1 . 2]" 4
234 2 15 C H3' 2 16 C H6 . . 3.000 3.039 2.699 3.420 0.420 19 0 "[ . 1 . 2]" 4
235 2 15 C H4' 2 16 C H6 . . 6.000 5.451 5.214 5.662 . 0 0 "[ . 1 . 2]" 4
236 2 15 C H1' 2 16 C H5 . . 6.000 5.858 5.747 6.170 0.170 18 0 "[ . 1 . 2]" 4
237 2 15 C H2' 2 16 C H5 . . 3.700 3.901 3.762 4.082 0.382 18 0 "[ . 1 . 2]" 4
238 2 15 C H6 2 16 C H5 . . 4.500 5.246 4.697 6.194 1.694 18 17 "[ *-******1****.**+**]" 4
239 2 17 A H1' 2 18 G H1' . . 5.000 5.712 5.501 5.884 0.884 16 20 [-**************+****] 4
240 2 17 A H8 2 18 G H8 . . 5.000 4.820 4.745 4.955 . 0 0 "[ . 1 . 2]" 4
241 2 17 A H1' 2 17 A H8 . . 3.700 3.800 3.777 3.825 0.125 1 0 "[ . 1 . 2]" 4
242 2 17 A H2' 2 17 A H8 . . 4.500 3.993 3.908 4.057 . 0 0 "[ . 1 . 2]" 4
243 2 17 A H3' 2 17 A H8 . . 3.700 2.706 2.621 2.777 . 0 0 "[ . 1 . 2]" 4
244 2 17 A H4' 2 17 A H8 . . 4.500 4.256 4.232 4.278 . 0 0 "[ . 1 . 2]" 4
245 2 17 A H5' 2 17 A H8 . . 3.700 3.637 3.562 3.760 0.060 1 0 "[ . 1 . 2]" 4
246 2 17 A H5'' 2 17 A H8 . . 4.500 4.138 4.109 4.171 . 0 0 "[ . 1 . 2]" 4
247 2 17 A H1' 2 17 A H2 . . 6.000 4.655 4.614 4.683 . 0 0 "[ . 1 . 2]" 4
248 2 17 A H2 2 17 A H2' . . 6.000 4.702 4.625 4.807 . 0 0 "[ . 1 . 2]" 4
249 2 8 G H1' 2 17 A H2 . . 4.500 3.330 3.129 3.645 . 0 0 "[ . 1 . 2]" 4
250 2 17 A H2 2 18 G H1' . . 3.700 3.783 3.509 4.003 0.303 10 0 "[ . 1 . 2]" 4
251 2 17 A H2 2 18 G H8 . . 5.000 4.815 4.704 4.983 . 0 0 "[ . 1 . 2]" 4
252 2 8 G H8 2 17 A H2 . . 6.000 4.830 4.599 5.187 . 0 0 "[ . 1 . 2]" 4
253 2 16 C H1' 2 17 A H8 . . 4.500 4.713 4.653 4.787 0.287 3 0 "[ . 1 . 2]" 4
254 2 16 C H2' 2 17 A H8 . . 2.500 2.094 2.037 2.194 . 0 0 "[ . 1 . 2]" 4
255 2 16 C H3' 2 17 A H8 . . 3.000 3.138 3.018 3.404 0.404 1 0 "[ . 1 . 2]" 4
256 2 16 C H4' 2 17 A H8 . . 6.000 5.448 5.369 5.610 . 0 0 "[ . 1 . 2]" 4
257 2 18 G H1' 2 19 G H1' . . 5.000 5.728 5.572 5.819 0.819 4 20 [**-+****************] 4
258 2 18 G H8 2 19 G H8 . . 5.000 4.835 4.752 4.890 . 0 0 "[ . 1 . 2]" 4
259 2 18 G H1' 2 18 G H8 . . 3.700 3.776 3.761 3.796 0.096 1 0 "[ . 1 . 2]" 4
260 2 18 G H2' 2 18 G H8 . . 4.500 4.046 3.990 4.071 . 0 0 "[ . 1 . 2]" 4
261 2 18 G H3' 2 18 G H8 . . 3.700 2.825 2.757 2.866 . 0 0 "[ . 1 . 2]" 4
262 2 18 G H4' 2 18 G H8 . . 4.500 4.332 4.308 4.360 . 0 0 "[ . 1 . 2]" 4
263 2 18 G H5' 2 18 G H8 . . 3.700 3.813 3.735 3.896 0.196 3 0 "[ . 1 . 2]" 4
264 2 18 G H5'' 2 18 G H8 . . 4.500 4.235 4.190 4.269 . 0 0 "[ . 1 . 2]" 4
265 2 17 A H1' 2 18 G H8 . . 4.500 4.574 4.540 4.612 0.112 14 0 "[ . 1 . 2]" 4
266 2 17 A H2' 2 18 G H8 . . 2.500 2.034 1.996 2.084 . 0 0 "[ . 1 . 2]" 4
267 2 17 A H3' 2 18 G H8 . . 3.000 3.266 3.223 3.331 0.331 1 0 "[ . 1 . 2]" 4
268 2 17 A H4' 2 18 G H8 . . 6.000 5.514 5.478 5.564 . 0 0 "[ . 1 . 2]" 4
269 2 19 G H1' 2 20 U H1' . . 5.000 5.848 5.740 5.940 0.940 12 20 [***********+******-*] 4
270 2 19 G H8 2 20 U H6 . . 5.000 5.110 5.075 5.175 0.175 5 0 "[ . 1 . 2]" 4
271 2 18 G H1' 2 19 G H8 . . 4.500 4.643 4.592 4.681 0.181 2 0 "[ . 1 . 2]" 4
272 2 18 G H2' 2 19 G H8 . . 2.500 2.112 2.067 2.159 . 0 0 "[ . 1 . 2]" 4
273 2 18 G H3' 2 19 G H8 . . 3.000 3.258 3.212 3.319 0.319 3 0 "[ . 1 . 2]" 4
274 2 19 G H1' 2 19 G H8 . . 3.700 3.772 3.759 3.786 0.086 20 0 "[ . 1 . 2]" 4
275 2 19 G H2' 2 19 G H8 . . 4.500 4.062 4.031 4.090 . 0 0 "[ . 1 . 2]" 4
276 2 19 G H3' 2 19 G H8 . . 3.700 2.878 2.843 2.906 . 0 0 "[ . 1 . 2]" 4
277 2 19 G H4' 2 19 G H8 . . 4.500 4.347 4.326 4.363 . 0 0 "[ . 1 . 2]" 4
278 2 19 G H5' 2 19 G H8 . . 3.700 3.842 3.812 3.881 0.181 5 0 "[ . 1 . 2]" 4
279 2 19 G H5'' 2 19 G H8 . . 4.500 4.262 4.224 4.295 . 0 0 "[ . 1 . 2]" 4
280 2 20 U H1' 2 21 C H1' . . 5.000 5.837 5.694 6.007 1.007 16 20 [***************+-***] 4
281 2 20 U H1' 2 20 U H5 . . 6.000 5.371 5.363 5.378 . 0 0 "[ . 1 . 2]" 4
282 2 20 U H2' 2 20 U H5 . . 6.000 5.260 5.228 5.288 . 0 0 "[ . 1 . 2]" 4
283 2 20 U H3' 2 20 U H5 . . 6.000 4.360 4.314 4.397 . 0 0 "[ . 1 . 2]" 4
284 2 20 U H2' 2 20 U H6 . . 4.500 3.812 3.776 3.835 . 0 0 "[ . 1 . 2]" 4
285 2 20 U H3' 2 20 U H6 . . 3.700 2.549 2.493 2.592 . 0 0 "[ . 1 . 2]" 4
286 2 20 U H4' 2 20 U H6 . . 4.500 4.034 4.013 4.046 . 0 0 "[ . 1 . 2]" 4
287 2 20 U H5' 2 20 U H6 . . 3.700 3.623 3.595 3.648 . 0 0 "[ . 1 . 2]" 4
288 2 20 U H5'' 2 20 U H6 . . 4.500 4.007 3.975 4.035 . 0 0 "[ . 1 . 2]" 4
289 2 19 G H2' 2 20 U H6 . . 2.500 2.226 2.168 2.296 . 0 0 "[ . 1 . 2]" 4
290 2 19 G H3' 2 20 U H6 . . 3.000 3.408 3.363 3.446 0.446 9 0 "[ . 1 . 2]" 4
291 2 19 G H4' 2 20 U H6 . . 6.000 5.660 5.628 5.705 . 0 0 "[ . 1 . 2]" 4
292 2 19 G H1' 2 20 U H6 . . 4.500 4.816 4.760 4.868 0.368 12 0 "[ . 1 . 2]" 4
293 2 19 G H1' 2 20 U H5 . . 6.000 5.781 5.733 5.829 . 0 0 "[ . 1 . 2]" 4
294 2 19 G H2' 2 20 U H5 . . 3.700 3.804 3.752 3.880 0.180 12 0 "[ . 1 . 2]" 4
295 2 19 G H3' 2 20 U H5 . . 3.700 3.793 3.726 3.844 0.144 9 0 "[ . 1 . 2]" 4
296 2 19 G H8 2 20 U H5 . . 4.500 4.429 4.365 4.499 . 0 0 "[ . 1 . 2]" 4
297 2 21 C H1' 2 21 C H5 . . 6.000 5.369 5.358 5.379 . 0 0 "[ . 1 . 2]" 4
298 2 21 C H2' 2 21 C H5 . . 6.000 5.233 5.205 5.266 . 0 0 "[ . 1 . 2]" 4
299 2 21 C H3' 2 21 C H5 . . 6.000 4.384 4.364 4.415 . 0 0 "[ . 1 . 2]" 4
300 2 21 C H2' 2 21 C H6 . . 4.500 3.765 3.733 3.811 . 0 0 "[ . 1 . 2]" 4
301 2 21 C H3' 2 21 C H6 . . 3.700 2.493 2.451 2.550 . 0 0 "[ . 1 . 2]" 4
302 2 21 C H4' 2 21 C H6 . . 4.500 4.040 4.028 4.052 . 0 0 "[ . 1 . 2]" 4
303 2 21 C H5' 2 21 C H6 . . 3.700 3.633 3.612 3.667 . 0 0 "[ . 1 . 2]" 4
304 2 21 C H5'' 2 21 C H6 . . 4.500 4.002 3.987 4.020 . 0 0 "[ . 1 . 2]" 4
305 2 20 U H1' 2 21 C H6 . . 4.500 4.824 4.770 4.870 0.370 6 0 "[ . 1 . 2]" 4
306 2 20 U H2' 2 21 C H6 . . 2.500 2.226 2.176 2.269 . 0 0 "[ . 1 . 2]" 4
307 2 20 U H3' 2 21 C H6 . . 3.000 3.432 3.377 3.481 0.481 10 0 "[ . 1 . 2]" 4
308 2 20 U H4' 2 21 C H6 . . 6.000 5.655 5.607 5.696 . 0 0 "[ . 1 . 2]" 4
309 2 20 U H1' 2 21 C H5 . . 6.000 5.716 5.635 5.780 . 0 0 "[ . 1 . 2]" 4
310 2 20 U H2' 2 21 C H5 . . 3.700 3.768 3.726 3.829 0.129 18 0 "[ . 1 . 2]" 4
311 2 20 U H3' 2 21 C H5 . . 3.700 3.824 3.758 3.882 0.182 6 0 "[ . 1 . 2]" 4
312 2 22 C H1' 2 22 C H5 . . 6.000 5.379 5.373 5.387 . 0 0 "[ . 1 . 2]" 4
313 2 22 C H2' 2 22 C H5 . . 6.000 5.142 5.099 5.166 . 0 0 "[ . 1 . 2]" 4
314 2 22 C H3' 2 22 C H5 . . 6.000 4.281 4.267 4.294 . 0 0 "[ . 1 . 2]" 4
315 2 22 C H2' 2 22 C H6 . . 4.500 3.647 3.620 3.671 . 0 0 "[ . 1 . 2]" 4
316 2 22 C H3' 2 22 C H6 . . 3.700 2.343 2.317 2.389 . 0 0 "[ . 1 . 2]" 4
317 2 22 C H4' 2 22 C H6 . . 4.500 4.016 3.998 4.035 . 0 0 "[ . 1 . 2]" 4
318 2 22 C H5' 2 22 C H6 . . 3.700 3.649 3.606 3.681 . 0 0 "[ . 1 . 2]" 4
319 2 22 C H5'' 2 22 C H6 . . 4.500 3.960 3.938 3.978 . 0 0 "[ . 1 . 2]" 4
320 2 21 C H1' 2 22 C H6 . . 4.500 4.882 4.812 4.934 0.434 16 0 "[ . 1 . 2]" 4
321 2 21 C H2' 2 22 C H6 . . 2.500 2.268 2.195 2.315 . 0 0 "[ . 1 . 2]" 4
322 2 21 C H3' 2 22 C H6 . . 3.000 3.588 3.506 3.634 0.634 18 20 [*******-*********+**] 4
323 2 21 C H4' 2 22 C H6 . . 6.000 5.718 5.640 5.752 . 0 0 "[ . 1 . 2]" 4
324 2 21 C H1' 2 22 C H5 . . 6.000 5.629 5.587 5.672 . 0 0 "[ . 1 . 2]" 4
325 2 21 C H2' 2 22 C H5 . . 3.700 3.614 3.571 3.651 . 0 0 "[ . 1 . 2]" 4
326 2 21 C H3' 2 22 C H5 . . 3.700 3.857 3.779 3.908 0.208 9 0 "[ . 1 . 2]" 4
327 2 23 C H2' 2 23 C H5 . . 6.000 5.103 4.293 5.500 . 0 0 "[ . 1 . 2]" 4
328 2 23 C H3' 2 23 C H5 . . 6.000 4.232 4.042 4.546 . 0 0 "[ . 1 . 2]" 4
329 2 23 C H2' 2 23 C H6 . . 4.500 3.595 1.935 4.141 . 0 0 "[ . 1 . 2]" 4
330 2 23 C H3' 2 23 C H6 . . 3.700 2.364 2.155 3.034 . 0 0 "[ . 1 . 2]" 4
331 2 23 C H4' 2 23 C H6 . . 4.500 4.011 3.905 4.686 0.186 8 0 "[ . 1 . 2]" 4
332 2 23 C H5' 2 23 C H6 . . 3.700 3.667 3.624 3.825 0.125 8 0 "[ . 1 . 2]" 4
333 2 23 C H5'' 2 23 C H6 . . 4.500 3.721 2.035 5.235 0.735 8 1 "[ . + 1 . 2]" 4
334 2 22 C H4' 2 23 C H6 . . 6.000 5.920 5.659 9.278 3.278 8 1 "[ . + 1 . 2]" 4
335 2 22 C H1' 2 23 C H5 . . 6.000 5.849 5.543 9.274 3.274 8 1 "[ . + 1 . 2]" 4
336 2 22 C H2' 2 23 C H5 . . 3.700 3.835 3.523 6.801 3.101 8 4 "[ - * + 1 . * 2]" 4
337 2 22 C H3' 2 23 C H5 . . 3.700 4.084 3.787 7.099 3.399 8 4 "[ - * + 1 . * 2]" 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 30
_Distance_constraint_stats_list.Viol_count 509
_Distance_constraint_stats_list.Viol_total 4918.607
_Distance_constraint_stats_list.Viol_max 2.727
_Distance_constraint_stats_list.Viol_rms 0.4329
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4099
_Distance_constraint_stats_list.Viol_average_violations_only 0.4832
_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 21 ILE 10.291 0.499 3 0 "[ . 1 . 2]"
1 22 HIS 0.385 0.091 18 0 "[ . 1 . 2]"
1 23 ILE 9.888 0.521 4 4 "[ +. - 1 * . *]"
1 24 ARG 4.914 0.510 12 2 "[ - . 1 + . 2]"
1 33 GLY 5.415 0.428 13 0 "[ . 1 . 2]"
1 34 GLU 11.312 0.620 12 20 [*-*********+********]
1 37 SER 5.415 0.428 13 0 "[ . 1 . 2]"
1 38 LEU 11.312 0.620 12 20 [*-*********+********]
1 47 ASN 11.505 0.629 2 20 [*+*********-********]
1 49 LEU 3.030 0.494 20 0 "[ . 1 . 2]"
1 57 ALA 9.888 0.521 4 4 "[ +. - 1 * . *]"
1 58 PHE 3.030 0.494 20 0 "[ . 1 . 2]"
1 59 ILE 10.291 0.499 3 0 "[ . 1 . 2]"
1 60 GLU 11.505 0.629 2 20 [*+*********-********]
1 63 THR 9.289 0.574 12 11 "[*** . **-* + *. ** 2]"
1 64 GLU 1.950 0.335 12 0 "[ . 1 . 2]"
1 65 GLU 4.986 0.419 19 0 "[ . 1 . 2]"
1 66 ALA 8.738 0.522 19 3 "[ . 1 .*- +2]"
1 67 ALA 19.634 0.574 12 19 "[********-**+****** *]"
1 68 ASN 9.723 0.529 15 1 "[ . 1 + 2]"
1 69 THR 12.980 0.508 15 1 "[ . 1 + 2]"
1 70 MET 11.425 0.522 19 3 "[ . 1 .*- +2]"
1 71 VAL 10.345 0.569 15 17 "[* *-*****1****+*** *]"
1 72 ASN 7.773 0.529 15 1 "[ . 1 + 2]"
1 73 TYR 7.993 0.508 15 1 "[ . 1 + 2]"
1 74 TYR 2.686 0.168 15 0 "[ . 1 . 2]"
1 87 TYR 4.914 0.510 12 2 "[ - . 1 + . 2]"
1 89 GLN 0.385 0.091 18 0 "[ . 1 . 2]"
1 97 LYS 0.349 0.084 4 0 "[ . 1 . 2]"
1 104 GLN 7.112 0.899 2 4 "[ + . *1 * . - 2]"
1 105 ALA 25.437 2.727 20 20 [********-**********+]
1 106 ARG 8.957 0.964 14 6 "[ * *.-* 1 +. * 2]"
1 107 ALA 15.909 1.121 16 18 "[** *** -*******+****]"
1 108 GLN 36.279 2.044 12 20 [***********+*****-**]
1 109 ALA 53.418 2.727 20 20 [********-**********+]
1 110 ALA 29.472 1.092 14 20 [*****-*******+******]
1 111 LEU 15.909 1.121 16 18 "[** *** -*******+****]"
1 112 GLN 29.168 2.044 12 20 [******-****+********]
1 113 ALA 27.981 1.821 14 20 [**********-**+******]
1 114 VAL 20.515 1.092 14 20 [*********-***+******]
2 12 U 0.349 0.084 4 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 97 LYS O 2 12 U H3 . . 2.400 1.831 1.783 1.951 . 0 0 "[ . 1 . 2]" 5
2 1 97 LYS O 2 12 U N3 . . 3.400 2.752 2.664 2.822 . 0 0 "[ . 1 . 2]" 5
3 1 97 LYS H 2 12 U O4 . . 2.400 2.254 1.913 2.484 0.084 4 0 "[ . 1 . 2]" 5
4 1 97 LYS N 2 12 U O4 . . 3.400 3.206 2.903 3.412 0.012 8 0 "[ . 1 . 2]" 5
5 1 21 ILE H 1 59 ILE O . . 1.800 1.975 1.883 2.127 0.327 16 0 "[ . 1 . 2]" 5
6 1 22 HIS H 1 89 GLN O . . 1.800 1.802 1.723 1.891 0.091 18 0 "[ . 1 . 2]" 5
7 1 23 ILE H 1 57 ALA O . . 1.800 1.981 1.896 2.080 0.280 4 0 "[ . 1 . 2]" 5
8 1 24 ARG H 1 87 TYR O . . 1.800 2.046 1.842 2.310 0.510 12 2 "[ - . 1 + . 2]" 5
9 1 33 GLY O 1 37 SER H . . 1.800 2.071 1.910 2.228 0.428 13 0 "[ . 1 . 2]" 5
10 1 34 GLU O 1 38 LEU H . . 1.800 2.366 2.325 2.420 0.620 12 20 [*-*********+********] 5
11 1 47 ASN H 1 60 GLU O . . 1.800 2.375 2.309 2.429 0.629 2 20 [*+*********-********] 5
12 1 49 LEU H 1 58 PHE O . . 1.800 1.824 1.782 1.900 0.100 20 0 "[ . 1 . 2]" 5
13 1 23 ILE O 1 57 ALA H . . 1.800 2.114 1.922 2.321 0.521 4 4 "[ +. - 1 * . *]" 5
14 1 49 LEU O 1 58 PHE H . . 1.800 1.918 1.749 2.294 0.494 20 0 "[ . 1 . 2]" 5
15 1 21 ILE O 1 59 ILE H . . 1.800 2.140 1.996 2.299 0.499 3 0 "[ . 1 . 2]" 5
16 1 63 THR O 1 67 ALA H . . 1.800 2.264 2.061 2.374 0.574 12 11 "[*** . **-* + *. ** 2]" 5
17 1 64 GLU O 1 68 ASN H . . 1.800 1.898 1.850 2.135 0.335 12 0 "[ . 1 . 2]" 5
18 1 65 GLU O 1 69 THR H . . 1.800 2.049 1.980 2.219 0.419 19 0 "[ . 1 . 2]" 5
19 1 66 ALA O 1 70 MET H . . 1.800 2.237 2.138 2.322 0.522 19 3 "[ . 1 .*- +2]" 5
20 1 67 ALA O 1 71 VAL H . . 1.800 2.317 2.213 2.369 0.569 15 17 "[* *-*****1****+*** *]" 5
21 1 68 ASN O 1 72 ASN H . . 1.800 2.189 2.104 2.329 0.529 15 1 "[ . 1 + 2]" 5
22 1 69 THR O 1 73 TYR H . . 1.800 2.200 2.122 2.308 0.508 15 1 "[ . 1 + 2]" 5
23 1 70 MET O 1 74 TYR H . . 1.800 1.934 1.888 1.968 0.168 15 0 "[ . 1 . 2]" 5
24 1 104 GLN O 1 108 GLN H . . 1.800 2.156 1.811 2.699 0.899 2 4 "[ + . *1 * . - 2]" 5
25 1 105 ALA O 1 109 ALA H . . 1.800 3.072 2.422 4.527 2.727 20 20 [********-**********+] 5
26 1 106 ARG O 1 110 ALA H . . 1.800 2.248 1.923 2.764 0.964 14 6 "[ * *.-* 1 +. * 2]" 5
27 1 107 ALA O 1 111 LEU H . . 1.800 2.595 2.173 2.921 1.121 16 18 "[** *** -*******+****]" 5
28 1 108 GLN O 1 112 GLN H . . 1.800 3.258 2.394 3.844 2.044 12 20 [******-****+********] 5
29 1 109 ALA O 1 113 ALA H . . 1.800 3.199 3.026 3.621 1.821 14 20 [**********-**+******] 5
30 1 110 ALA O 1 114 VAL H . . 1.800 2.826 2.751 2.892 1.092 14 20 [*********-***+******] 5
stop_
save_