NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
561124 |
2m5b   |
19045 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m5b
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 1584
_Distance_constraint_stats_list.Viol_count 2922
_Distance_constraint_stats_list.Viol_total 8731.967
_Distance_constraint_stats_list.Viol_max 1.703
_Distance_constraint_stats_list.Viol_rms 0.0929
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0138
_Distance_constraint_stats_list.Viol_average_violations_only 0.1494
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ALA 1.546 0.254 13 0 "[ . 1 . 2]"
1 2 LEU 11.016 0.834 7 1 "[ . + 1 . 2]"
1 3 PRO 32.085 1.088 3 20 [**+***-*************]
1 4 SER 22.858 1.088 3 20 [**+**********-******]
1 5 ALA 20.133 1.287 6 17 "[****.+******* *- ***]"
1 6 SER 27.817 1.287 6 17 "[***-.+******* ** ***]"
1 7 GLU 2.876 0.321 4 0 "[ . 1 . 2]"
1 8 GLU 1.353 0.186 4 0 "[ . 1 . 2]"
1 9 GLN 0.917 0.165 17 0 "[ . 1 . 2]"
1 10 VAL 4.040 0.321 4 0 "[ . 1 . 2]"
1 11 ALA 1.500 0.129 2 0 "[ . 1 . 2]"
1 12 GLN 1.430 0.219 9 0 "[ . 1 . 2]"
1 13 ASP 0.157 0.041 12 0 "[ . 1 . 2]"
1 14 THR 5.161 0.198 7 0 "[ . 1 . 2]"
1 15 GLU 5.120 0.198 7 0 "[ . 1 . 2]"
1 16 GLU 0.005 0.003 5 0 "[ . 1 . 2]"
1 17 VAL 2.251 0.147 18 0 "[ . 1 . 2]"
1 18 PHE 15.018 1.058 6 11 "[ *-*.+* *1 * * ***]"
1 19 ARG 0.005 0.003 5 0 "[ . 1 . 2]"
1 20 SER 0.119 0.053 8 0 "[ . 1 . 2]"
1 21 TYR 1.138 0.062 11 0 "[ . 1 . 2]"
1 22 VAL 0.438 0.080 19 0 "[ . 1 . 2]"
1 23 PHE 0.091 0.024 14 0 "[ . 1 . 2]"
1 24 TYR 8.334 0.739 14 3 "[- . 1 +. * 2]"
1 25 ARG 0.240 0.229 19 0 "[ . 1 . 2]"
1 26 HIS 0.556 0.477 11 0 "[ . 1 . 2]"
1 27 GLN 1.658 0.151 7 0 "[ . 1 . 2]"
1 28 GLN 0.048 0.022 3 0 "[ . 1 . 2]"
1 29 GLU 1.495 0.477 11 0 "[ . 1 . 2]"
1 30 GLN 1.343 0.649 12 2 "[ . 1 + . -2]"
1 32 ALA 0.294 0.130 3 0 "[ . 1 . 2]"
1 33 GLU 0.365 0.096 3 0 "[ . 1 . 2]"
1 34 GLY 0.206 0.096 3 0 "[ . 1 . 2]"
1 35 VAL 0.557 0.119 3 0 "[ . 1 . 2]"
1 36 ALA 0.937 0.119 3 0 "[ . 1 . 2]"
1 37 ALA 0.808 0.108 19 0 "[ . 1 . 2]"
1 38 PRO 2.835 0.649 12 2 "[ . 1 + . -2]"
1 39 ALA 0.331 0.109 1 0 "[ . 1 . 2]"
1 41 PRO 0.315 0.179 4 0 "[ . 1 . 2]"
1 43 MET 0.402 0.134 14 0 "[ . 1 . 2]"
1 44 VAL 0.412 0.134 14 0 "[ . 1 . 2]"
1 45 THR 1.118 0.260 9 0 "[ . 1 . 2]"
1 46 LEU 5.235 0.811 1 4 "[+ . *1 * - 2]"
1 47 PRO 12.493 0.811 1 4 "[+ . *1 * - 2]"
1 48 LEU 8.240 0.275 2 0 "[ . 1 . 2]"
1 49 GLN 1.611 0.951 4 1 "[ +. 1 . 2]"
1 50 PRO 14.948 0.589 1 20 [+***-***************]
1 51 SER 15.997 0.589 1 20 [+***-***************]
1 52 SER 4.312 1.056 1 2 "[+ -. 1 . 2]"
1 53 THR 3.039 1.056 1 1 "[+ . 1 . 2]"
1 54 MET 0.819 0.147 18 0 "[ . 1 . 2]"
1 55 GLY 0.029 0.025 2 0 "[ . 1 . 2]"
1 56 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 VAL 0.384 0.058 8 0 "[ . 1 . 2]"
1 58 GLY 0.587 0.058 18 0 "[ . 1 . 2]"
1 59 ARG 17.229 0.962 19 8 "[- *.* **1 *. * +2]"
1 60 GLN 9.927 0.962 19 6 "[ - *.* **1 . +2]"
1 61 LEU 0.835 0.136 4 0 "[ . 1 . 2]"
1 62 ALA 0.264 0.048 16 0 "[ . 1 . 2]"
1 63 ILE 2.476 0.250 14 0 "[ . 1 . 2]"
1 64 ILE 0.850 0.138 9 0 "[ . 1 . 2]"
1 65 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ASP 0.365 0.053 11 0 "[ . 1 . 2]"
1 67 ASP 0.007 0.007 16 0 "[ . 1 . 2]"
1 68 ILE 1.100 0.150 5 0 "[ . 1 . 2]"
1 69 ASN 0.613 0.229 19 0 "[ . 1 . 2]"
1 70 ARG 0.190 0.145 1 0 "[ . 1 . 2]"
1 71 ARG 6.743 0.925 18 8 "[ **. *1** -. + *]"
1 72 TYR 1.717 0.880 18 1 "[ . 1 . + 2]"
1 73 ASP 0.059 0.059 9 0 "[ . 1 . 2]"
1 74 SER 0.059 0.059 9 0 "[ . 1 . 2]"
1 75 GLU 1.232 0.127 5 0 "[ . 1 . 2]"
1 76 PHE 0.066 0.028 18 0 "[ . 1 . 2]"
1 77 GLN 1.232 0.127 5 0 "[ . 1 . 2]"
1 78 THR 17.486 1.006 11 20 [***-******+*********]
1 79 MET 1.408 0.260 17 0 "[ . 1 . 2]"
1 80 LEU 24.296 1.290 17 20 [****************+**-]
1 81 GLN 39.710 1.290 17 20 [***-************+***]
1 82 HIS 0.963 0.070 2 0 "[ . 1 . 2]"
1 83 LEU 9.999 0.657 13 6 "[ .** -1 + ** 2]"
1 84 GLN 1.388 0.394 8 0 "[ . 1 . 2]"
1 85 PRO 12.832 0.653 3 20 [**+****************-]
1 86 THR 15.257 0.655 12 20 [***********+*******-]
1 87 ALA 1.031 0.110 5 0 "[ . 1 . 2]"
1 88 GLU 0.295 0.269 12 0 "[ . 1 . 2]"
1 89 ASN 0.931 0.655 12 1 "[ . 1 + . 2]"
1 90 ALA 3.723 0.164 19 0 "[ . 1 . 2]"
1 91 TYR 2.276 0.101 12 0 "[ . 1 . 2]"
1 92 GLU 0.321 0.049 20 0 "[ . 1 . 2]"
1 93 TYR 8.993 0.657 13 6 "[ .** -1 + ** 2]"
1 94 PHE 0.370 0.039 8 0 "[ . 1 . 2]"
1 95 THR 2.083 0.093 5 0 "[ . 1 . 2]"
1 96 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 ILE 0.836 0.058 7 0 "[ . 1 . 2]"
1 98 ALA 0.116 0.039 8 0 "[ . 1 . 2]"
1 99 THR 1.935 0.121 14 0 "[ . 1 . 2]"
1 100 SER 0.069 0.033 19 0 "[ . 1 . 2]"
1 101 LEU 0.056 0.026 7 0 "[ . 1 . 2]"
1 102 PHE 8.164 0.535 4 2 "[ +. -1 . 2]"
1 103 GLU 0.066 0.033 19 0 "[ . 1 . 2]"
1 104 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 GLY 0.315 0.167 14 0 "[ . 1 . 2]"
1 106 ILE 3.390 0.167 14 0 "[ . 1 . 2]"
1 107 ASN 1.085 0.110 5 0 "[ . 1 . 2]"
1 108 TRP 3.901 0.154 1 0 "[ . 1 . 2]"
1 109 GLY 0.425 0.110 5 0 "[ . 1 . 2]"
1 110 ARG 0.120 0.062 14 0 "[ . 1 . 2]"
1 111 VAL 2.251 0.107 6 0 "[ . 1 . 2]"
1 112 VAL 1.149 0.128 12 0 "[ . 1 . 2]"
1 113 ALA 0.819 0.128 12 0 "[ . 1 . 2]"
1 114 LEU 3.118 0.535 4 2 "[ +. -1 . 2]"
1 115 LEU 0.056 0.021 5 0 "[ . 1 . 2]"
1 116 GLY 0.096 0.058 20 0 "[ . 1 . 2]"
1 117 PHE 0.020 0.020 15 0 "[ . 1 . 2]"
1 118 GLY 3.109 0.204 12 0 "[ . 1 . 2]"
1 119 TYR 33.838 1.491 3 19 "[**+************* ***]"
1 120 ARG 0.215 0.191 19 0 "[ . 1 . 2]"
1 121 LEU 1.456 0.389 15 0 "[ . 1 . 2]"
1 122 ALA 2.393 0.389 15 0 "[ . 1 . 2]"
1 123 LEU 22.254 1.491 3 18 "[**+ **-********* ***]"
1 124 HIS 0.365 0.064 20 0 "[ . 1 . 2]"
1 125 VAL 0.303 0.126 10 0 "[ . 1 . 2]"
1 126 TYR 22.242 1.703 10 13 "[ **** **+**- * * *2]"
1 127 GLN 25.994 1.703 10 13 "[ **** **+*** - * *2]"
1 128 HIS 6.214 0.545 15 1 "[ . 1 + 2]"
1 129 GLY 0.002 0.002 12 0 "[ . 1 . 2]"
1 130 LEU 0.506 0.405 5 0 "[ . 1 . 2]"
1 133 PHE 19.239 1.247 9 15 "[***** *-+** * .* ***]"
1 134 LEU 0.845 0.214 3 0 "[ . 1 . 2]"
1 135 GLY 7.497 0.632 16 12 "[** -* **** .+ ***]"
1 136 GLN 30.098 1.247 9 15 "[***-* **+** * .* ***]"
1 137 VAL 1.141 0.140 3 0 "[ . 1 . 2]"
1 138 THR 0.907 0.673 10 1 "[ . + . 2]"
1 139 ARG 12.857 0.858 5 9 "[ ** +* 1 - * ** *]"
1 140 PHE 1.335 0.140 3 0 "[ . 1 . 2]"
1 141 VAL 0.946 0.673 10 1 "[ . + . 2]"
1 142 VAL 4.497 0.858 5 4 "[ * +* 1 - . 2]"
1 143 ASP 4.469 1.501 20 3 "[ . 1- . * +]"
1 144 PHE 5.821 0.631 18 5 "[ *. * 1 -. + *]"
1 145 MET 23.934 1.090 18 17 "[****.***** **-.**+**]"
1 146 LEU 1.719 0.219 9 0 "[ . 1 . 2]"
1 147 HIS 4.981 1.501 20 3 "[ . 1- . * +]"
1 148 HIS 8.196 0.735 3 6 "[ +** 1 .* - *]"
1 149 CYS 6.711 0.735 3 6 "[ +** 1 .* - *]"
1 150 ILE 0.520 0.190 4 0 "[ . 1 . 2]"
1 151 ALA 18.401 1.090 18 17 "[****.****- ***.**+**]"
1 152 ARG 0.009 0.009 4 0 "[ . 1 . 2]"
1 153 TRP 3.516 0.098 12 0 "[ . 1 . 2]"
1 154 ILE 4.237 0.136 10 0 "[ . 1 . 2]"
1 155 ALA 0.753 0.143 10 0 "[ . 1 . 2]"
1 156 GLN 0.276 0.143 10 0 "[ . 1 . 2]"
1 157 ARG 8.650 0.359 9 0 "[ . 1 . 2]"
1 158 GLY 6.170 0.359 9 0 "[ . 1 . 2]"
1 159 GLY 1.379 0.077 14 0 "[ . 1 . 2]"
1 160 TRP 2.871 0.096 10 0 "[ . 1 . 2]"
1 161 VAL 0.165 0.058 8 0 "[ . 1 . 2]"
1 162 ALA 18.101 1.676 3 8 "[ +*.* 1-* . ***2]"
1 163 ALA 0.082 0.021 1 0 "[ . 1 . 2]"
1 164 LEU 5.828 0.461 7 0 "[ . 1 . 2]"
1 165 ASN 26.492 1.676 3 8 "[ +*.* 1-* . ***2]"
1 166 LEU 0.552 0.154 1 0 "[ . 1 . 2]"
1 167 GLY 0.302 0.138 9 0 "[ . 1 . 2]"
1 168 ASN 0.551 0.551 2 1 "[ + . 1 . 2]"
1 169 GLY 0.015 0.009 10 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 1 106 ILE HG13 1 153 TRP HE1 . . 5.240 5.291 5.266 5.326 0.086 10 0 "[ . 1 . 2]" 1
2 1 106 ILE H 1 153 TRP HE1 . . 5.310 4.700 4.403 4.860 . 0 0 "[ . 1 . 2]" 1
3 1 106 ILE HB 1 153 TRP HE1 . . 3.520 3.121 2.988 3.237 . 0 0 "[ . 1 . 2]" 1
4 1 106 ILE MG 1 153 TRP HE1 . . 4.180 3.799 3.505 4.017 . 0 0 "[ . 1 . 2]" 1
5 1 107 ASN HA 1 153 TRP HE1 . . 4.610 3.607 3.495 3.791 . 0 0 "[ . 1 . 2]" 1
6 1 108 TRP HE1 1 166 LEU MD1 . . 4.890 3.961 2.969 4.543 . 0 0 "[ . 1 . 2]" 1
7 1 108 TRP HE1 1 157 ARG HA . . 4.500 4.580 4.545 4.625 0.125 4 0 "[ . 1 . 2]" 1
8 1 108 TRP HE1 1 157 ARG HB3 . . 4.560 2.376 2.301 2.450 . 0 0 "[ . 1 . 2]" 1
9 1 108 TRP HE1 1 157 ARG HE . . 5.500 5.340 5.159 5.515 0.015 10 0 "[ . 1 . 2]" 1
10 1 108 TRP HE1 1 153 TRP HH2 . . 4.710 4.312 4.165 4.586 . 0 0 "[ . 1 . 2]" 1
11 1 36 ALA H 1 37 ALA H . . 2.820 2.751 2.022 2.928 0.108 19 0 "[ . 1 . 2]" 1
12 1 35 VAL HB 1 36 ALA H . . 3.520 2.876 1.903 3.639 0.119 3 0 "[ . 1 . 2]" 1
13 1 36 ALA H 1 36 ALA MB . . 2.970 2.752 2.186 2.908 . 0 0 "[ . 1 . 2]" 1
14 1 35 VAL QG 1 36 ALA H . . 3.510 3.310 2.582 3.605 0.095 3 0 "[ . 1 . 2]" 1
15 1 1 ALA H1 1 1 ALA MB . . 2.990 2.730 2.286 3.068 0.078 10 0 "[ . 1 . 2]" 1
16 1 160 TRP HA 1 162 ALA H . . 4.330 3.339 3.235 3.469 . 0 0 "[ . 1 . 2]" 1
17 1 162 ALA H 1 163 ALA H . . 3.330 2.245 2.024 2.445 . 0 0 "[ . 1 . 2]" 1
18 1 46 LEU H 1 46 LEU QD . . 4.210 3.666 3.121 3.902 . 0 0 "[ . 1 . 2]" 1
19 1 95 THR MG 1 96 LYS H . . 4.820 3.980 3.919 4.091 . 0 0 "[ . 1 . 2]" 1
20 1 6 SER HB3 1 7 GLU H . . 3.930 2.799 2.417 4.046 0.116 5 0 "[ . 1 . 2]" 1
21 1 7 GLU H 1 10 VAL MG1 . . 5.500 5.588 5.542 5.821 0.321 4 0 "[ . 1 . 2]" 1
22 1 6 SER H 1 7 GLU H . . 4.520 4.470 4.368 4.524 0.004 6 0 "[ . 1 . 2]" 1
23 1 93 TYR HA 1 96 LYS H . . 5.000 3.537 3.450 3.604 . 0 0 "[ . 1 . 2]" 1
24 1 92 GLU HA 1 96 LYS H . . 5.230 4.886 4.680 5.133 . 0 0 "[ . 1 . 2]" 1
25 1 114 LEU HA 1 117 PHE H . . 5.380 4.056 3.974 4.116 . 0 0 "[ . 1 . 2]" 1
26 1 101 LEU QD 1 117 PHE H . . 5.500 5.350 5.219 5.430 . 0 0 "[ . 1 . 2]" 1
27 1 154 ILE MD 1 155 ALA H . . 5.500 4.642 4.578 4.718 . 0 0 "[ . 1 . 2]" 1
28 1 155 ALA H 1 157 ARG H . . 4.880 4.160 4.089 4.241 . 0 0 "[ . 1 . 2]" 1
29 1 155 ALA H 1 156 GLN H . . 3.600 2.641 2.610 2.667 . 0 0 "[ . 1 . 2]" 1
30 1 155 ALA H 1 159 GLY HA2 . . 4.710 4.204 4.023 4.336 . 0 0 "[ . 1 . 2]" 1
31 1 153 TRP HA 1 155 ALA H . . 4.640 4.529 4.413 4.654 0.014 4 0 "[ . 1 . 2]" 1
32 1 10 VAL MG1 1 155 ALA H . . 5.020 3.564 3.323 3.808 . 0 0 "[ . 1 . 2]" 1
33 1 130 LEU H 1 130 LEU QD . . 4.440 3.393 2.482 4.020 . 0 0 "[ . 1 . 2]" 1
34 1 101 LEU H 1 101 LEU QD . . 4.450 3.631 3.515 3.706 . 0 0 "[ . 1 . 2]" 1
35 1 98 ALA HA 1 101 LEU H . . 3.950 3.331 3.228 3.511 . 0 0 "[ . 1 . 2]" 1
36 1 101 LEU H 1 101 LEU HB3 . . 3.680 2.843 2.377 3.439 . 0 0 "[ . 1 . 2]" 1
37 1 123 LEU HA 1 126 TYR H . . 4.400 3.145 2.936 3.767 . 0 0 "[ . 1 . 2]" 1
38 1 35 VAL HA 1 37 ALA H . . 4.570 3.846 3.464 4.582 0.012 12 0 "[ . 1 . 2]" 1
39 1 35 VAL QG 1 37 ALA H . . 4.840 4.234 1.893 4.841 0.001 11 0 "[ . 1 . 2]" 1
40 1 133 PHE H 1 136 GLN H . . 5.340 5.045 4.754 5.372 0.032 6 0 "[ . 1 . 2]" 1
41 1 91 TYR H 1 92 GLU H . . 3.510 2.565 2.504 2.629 . 0 0 "[ . 1 . 2]" 1
42 1 92 GLU H 1 92 GLU HB3 . . 3.270 2.589 2.417 2.954 . 0 0 "[ . 1 . 2]" 1
43 1 124 HIS H 1 126 TYR H . . 4.690 4.066 3.801 4.553 . 0 0 "[ . 1 . 2]" 1
44 1 122 ALA MB 1 126 TYR H . . 5.500 4.514 4.313 4.651 . 0 0 "[ . 1 . 2]" 1
45 1 125 VAL H 1 126 TYR H . . 3.450 2.143 1.970 2.502 . 0 0 "[ . 1 . 2]" 1
46 1 90 ALA H 1 92 GLU H . . 4.070 4.073 3.966 4.119 0.049 20 0 "[ . 1 . 2]" 1
47 1 102 PHE H 1 103 GLU H . . 3.170 2.729 2.523 3.144 . 0 0 "[ . 1 . 2]" 1
48 1 99 THR MG 1 103 GLU H . . 4.890 4.721 4.473 4.900 0.010 6 0 "[ . 1 . 2]" 1
49 1 102 PHE HB3 1 103 GLU H . . 5.020 4.424 4.197 4.511 . 0 0 "[ . 1 . 2]" 1
50 1 133 PHE H 1 134 LEU H . . 4.510 1.975 1.869 2.227 . 0 0 "[ . 1 . 2]" 1
51 1 133 PHE QD 1 134 LEU H . . 5.100 4.657 4.354 4.876 . 0 0 "[ . 1 . 2]" 1
52 1 1 ALA HA 1 2 LEU H . . 2.860 2.863 2.631 3.114 0.254 13 0 "[ . 1 . 2]" 1
53 1 2 LEU H 1 2 LEU QD . . 4.560 2.411 1.701 2.771 . 0 0 "[ . 1 . 2]" 1
54 1 99 THR HA 1 103 GLU H . . 5.160 4.607 4.132 4.835 . 0 0 "[ . 1 . 2]" 1
55 1 21 TYR H 1 21 TYR QD . . 4.070 4.104 4.018 4.132 0.062 11 0 "[ . 1 . 2]" 1
56 1 21 TYR H 1 58 GLY HA2 . . 4.840 4.236 4.078 4.499 . 0 0 "[ . 1 . 2]" 1
57 1 21 TYR H 1 21 TYR HB3 . . 3.460 2.310 2.222 2.339 . 0 0 "[ . 1 . 2]" 1
58 1 21 TYR H 1 58 GLY H . . 5.330 5.057 4.596 5.370 0.040 3 0 "[ . 1 . 2]" 1
59 1 17 VAL MG1 1 21 TYR H . . 4.980 3.693 3.550 3.825 . 0 0 "[ . 1 . 2]" 1
60 1 46 LEU QD 1 48 LEU H . . 4.980 3.118 2.814 4.161 . 0 0 "[ . 1 . 2]" 1
61 1 21 TYR H 1 22 VAL H . . 4.180 2.876 2.814 2.939 . 0 0 "[ . 1 . 2]" 1
62 1 48 LEU H 1 50 PRO HD3 . . 4.970 4.258 3.990 4.517 . 0 0 "[ . 1 . 2]" 1
63 1 48 LEU H 1 48 LEU HB3 . . 3.460 2.855 2.506 3.330 . 0 0 "[ . 1 . 2]" 1
64 1 47 PRO HB3 1 48 LEU H . . 4.330 4.522 4.472 4.594 0.264 6 0 "[ . 1 . 2]" 1
65 1 48 LEU H 1 48 LEU QD . . 3.860 3.117 1.885 3.779 . 0 0 "[ . 1 . 2]" 1
66 1 10 VAL MG1 1 13 ASP H . . 5.500 4.747 4.689 4.821 . 0 0 "[ . 1 . 2]" 1
67 1 13 ASP H 1 14 THR H . . 3.490 2.602 2.585 2.614 . 0 0 "[ . 1 . 2]" 1
68 1 48 LEU H 1 49 GLN H . . 5.120 4.586 4.500 4.645 . 0 0 "[ . 1 . 2]" 1
69 1 49 GLN H 1 50 PRO HD3 . . 4.820 3.399 3.167 3.716 . 0 0 "[ . 1 . 2]" 1
70 1 134 LEU H 1 136 GLN H . . 5.170 4.215 4.119 4.481 . 0 0 "[ . 1 . 2]" 1
71 1 120 ARG HB3 1 121 LEU H . . 4.410 2.817 2.184 3.951 . 0 0 "[ . 1 . 2]" 1
72 1 121 LEU H 1 121 LEU HB3 . . 3.680 2.375 2.217 3.572 . 0 0 "[ . 1 . 2]" 1
73 1 80 LEU QD 1 121 LEU H . . 4.720 4.009 3.305 4.606 . 0 0 "[ . 1 . 2]" 1
74 1 120 ARG H 1 121 LEU H . . 3.980 2.823 2.736 2.892 . 0 0 "[ . 1 . 2]" 1
75 1 117 PHE HA 1 121 LEU H . . 5.090 3.896 3.389 4.348 . 0 0 "[ . 1 . 2]" 1
76 1 10 VAL HA 1 13 ASP H . . 3.700 3.603 3.550 3.644 . 0 0 "[ . 1 . 2]" 1
77 1 12 GLN H 1 13 ASP H . . 3.320 2.757 2.694 2.809 . 0 0 "[ . 1 . 2]" 1
78 1 13 ASP H 1 13 ASP HB3 . . 3.590 3.570 3.560 3.579 . 0 0 "[ . 1 . 2]" 1
79 1 53 THR H 1 54 MET ME . . 5.500 3.538 2.934 4.515 . 0 0 "[ . 1 . 2]" 1
80 1 52 SER HA 1 53 THR H . . 2.960 2.389 2.281 2.443 . 0 0 "[ . 1 . 2]" 1
81 1 52 SER HB3 1 53 THR H . . 3.010 2.737 2.366 4.066 1.056 1 1 "[+ . 1 . 2]" 1
82 1 53 THR H 1 53 THR MG . . 4.230 3.734 3.637 3.768 . 0 0 "[ . 1 . 2]" 1
83 1 48 LEU HB3 1 49 GLN H . . 4.930 3.469 3.153 3.879 . 0 0 "[ . 1 . 2]" 1
84 1 48 LEU QD 1 49 GLN H . . 5.090 2.810 1.882 3.693 . 0 0 "[ . 1 . 2]" 1
85 1 49 GLN H 1 49 GLN HG3 . . 4.860 4.523 4.429 4.631 . 0 0 "[ . 1 . 2]" 1
86 1 145 MET HG3 1 151 ALA H . . 4.420 4.337 3.448 5.046 0.626 10 1 "[ . + . 2]" 1
87 1 150 ILE H 1 151 ALA H . . 3.600 2.564 2.408 2.932 . 0 0 "[ . 1 . 2]" 1
88 1 56 GLN H 1 57 VAL MG2 . . 4.550 3.701 3.365 4.161 . 0 0 "[ . 1 . 2]" 1
89 1 22 VAL HB 1 119 TYR H . . 5.030 4.915 4.401 5.110 0.080 19 0 "[ . 1 . 2]" 1
90 1 21 TYR QE 1 119 TYR H . . 5.250 5.074 4.706 5.280 0.030 1 0 "[ . 1 . 2]" 1
91 1 119 TYR H 1 119 TYR QD . . 4.200 4.115 3.941 4.193 . 0 0 "[ . 1 . 2]" 1
92 1 18 PHE HZ 1 119 TYR H . . 4.490 3.419 3.055 3.944 . 0 0 "[ . 1 . 2]" 1
93 1 83 LEU H 1 84 GLN H . . 3.600 2.930 2.690 3.069 . 0 0 "[ . 1 . 2]" 1
94 1 56 GLN H 1 57 VAL H . . 3.110 2.427 2.259 2.674 . 0 0 "[ . 1 . 2]" 1
95 1 54 MET HA 1 56 GLN H . . 5.110 4.207 3.811 4.901 . 0 0 "[ . 1 . 2]" 1
96 1 56 GLN H 1 56 GLN HB3 . . 3.420 2.289 2.162 2.367 . 0 0 "[ . 1 . 2]" 1
97 1 24 TYR HB3 1 25 ARG H . . 4.570 3.174 2.882 3.378 . 0 0 "[ . 1 . 2]" 1
98 1 54 MET HA 1 57 VAL H . . 4.080 3.380 3.121 3.654 . 0 0 "[ . 1 . 2]" 1
99 1 56 GLN HB3 1 57 VAL H . . 4.840 3.363 2.975 3.841 . 0 0 "[ . 1 . 2]" 1
100 1 17 VAL MG2 1 57 VAL H . . 4.590 4.145 3.695 4.584 . 0 0 "[ . 1 . 2]" 1
101 1 57 VAL H 1 57 VAL HB . . 3.210 2.541 2.418 2.698 . 0 0 "[ . 1 . 2]" 1
102 1 80 LEU HA 1 83 LEU H . . 4.810 3.327 3.147 3.531 . 0 0 "[ . 1 . 2]" 1
103 1 83 LEU H 1 83 LEU HB3 . . 3.420 2.699 2.509 2.960 . 0 0 "[ . 1 . 2]" 1
104 1 90 ALA H 1 91 TYR H . . 4.520 2.950 2.921 2.978 . 0 0 "[ . 1 . 2]" 1
105 1 90 ALA H 1 90 ALA MB . . 3.160 2.190 2.097 2.240 . 0 0 "[ . 1 . 2]" 1
106 1 86 THR H 1 90 ALA H . . 4.070 4.123 4.074 4.168 0.098 20 0 "[ . 1 . 2]" 1
107 1 152 ARG H 1 153 TRP H . . 3.590 2.807 2.750 2.846 . 0 0 "[ . 1 . 2]" 1
108 1 153 TRP H 1 153 TRP HB3 . . 3.360 2.536 2.464 2.587 . 0 0 "[ . 1 . 2]" 1
109 1 94 PHE QD 1 98 ALA H . . 5.150 4.320 3.994 4.578 . 0 0 "[ . 1 . 2]" 1
110 1 96 LYS HA 1 98 ALA H . . 4.820 4.751 4.678 4.804 . 0 0 "[ . 1 . 2]" 1
111 1 95 THR HA 1 98 ALA H . . 4.600 3.846 3.748 3.910 . 0 0 "[ . 1 . 2]" 1
112 1 98 ALA H 1 114 LEU QD . . 5.010 4.149 3.619 4.613 . 0 0 "[ . 1 . 2]" 1
113 1 97 ILE HB 1 98 ALA H . . 3.740 2.288 2.265 2.352 . 0 0 "[ . 1 . 2]" 1
114 1 98 ALA H 1 98 ALA MB . . 3.230 2.167 2.024 2.233 . 0 0 "[ . 1 . 2]" 1
115 1 58 GLY HA2 1 62 ALA H . . 5.140 3.790 3.596 4.078 . 0 0 "[ . 1 . 2]" 1
116 1 21 TYR QD 1 62 ALA H . . 4.020 2.778 2.643 3.024 . 0 0 "[ . 1 . 2]" 1
117 1 21 TYR QE 1 62 ALA H . . 4.740 3.202 2.879 3.510 . 0 0 "[ . 1 . 2]" 1
118 1 61 LEU HG 1 62 ALA H . . 4.460 4.310 4.162 4.382 . 0 0 "[ . 1 . 2]" 1
119 1 152 ARG HA 1 153 TRP H . . 3.620 3.543 3.531 3.549 . 0 0 "[ . 1 . 2]" 1
120 1 153 TRP H 1 155 ALA H . . 4.400 4.221 4.116 4.289 . 0 0 "[ . 1 . 2]" 1
121 1 149 CYS HA 1 153 TRP H . . 4.630 4.556 4.189 4.728 0.098 12 0 "[ . 1 . 2]" 1
122 1 59 ARG HA 1 62 ALA H . . 4.610 3.836 3.671 3.964 . 0 0 "[ . 1 . 2]" 1
123 1 61 LEU H 1 62 ALA H . . 3.430 2.850 2.813 2.887 . 0 0 "[ . 1 . 2]" 1
124 1 8 GLU H 1 9 GLN H . . 3.410 2.842 2.766 2.899 . 0 0 "[ . 1 . 2]" 1
125 1 14 THR H 1 15 GLU H . . 3.750 2.763 2.612 2.806 . 0 0 "[ . 1 . 2]" 1
126 1 15 GLU H 1 15 GLU HG3 . . 2.980 3.033 2.781 3.169 0.189 7 0 "[ . 1 . 2]" 1
127 1 97 ILE H 1 97 ILE HG13 . . 4.580 3.448 3.404 3.498 . 0 0 "[ . 1 . 2]" 1
128 1 97 ILE H 1 97 ILE MD . . 3.890 2.167 2.074 2.327 . 0 0 "[ . 1 . 2]" 1
129 1 102 PHE QE 1 111 VAL H . . 3.910 3.194 3.040 3.394 . 0 0 "[ . 1 . 2]" 1
130 1 108 TRP HA 1 111 VAL H . . 3.980 3.525 3.412 3.642 . 0 0 "[ . 1 . 2]" 1
131 1 78 THR HB 1 79 MET H . . 3.640 2.367 2.246 2.589 . 0 0 "[ . 1 . 2]" 1
132 1 67 ASP H 1 68 ILE H . . 3.780 2.770 2.645 2.836 . 0 0 "[ . 1 . 2]" 1
133 1 15 GLU H 1 18 PHE H . . 4.600 4.622 4.595 4.658 0.058 12 0 "[ . 1 . 2]" 1
134 1 87 ALA H 1 88 GLU H . . 3.440 2.458 2.433 2.481 . 0 0 "[ . 1 . 2]" 1
135 1 86 THR HA 1 87 ALA H . . 3.170 2.534 2.481 2.584 . 0 0 "[ . 1 . 2]" 1
136 1 17 VAL H 1 17 VAL MG1 . . 4.210 3.747 3.718 3.757 . 0 0 "[ . 1 . 2]" 1
137 1 111 VAL H 1 111 VAL HB . . 3.400 2.532 2.455 2.596 . 0 0 "[ . 1 . 2]" 1
138 1 78 THR MG 1 79 MET H . . 5.400 3.326 3.145 3.538 . 0 0 "[ . 1 . 2]" 1
139 1 63 ILE HA 1 66 ASP H . . 3.840 3.409 3.339 3.499 . 0 0 "[ . 1 . 2]" 1
140 1 144 PHE H 1 144 PHE QD . . 4.200 3.690 2.608 4.184 . 0 0 "[ . 1 . 2]" 1
141 1 144 PHE H 1 144 PHE HB3 . . 3.520 2.318 2.163 2.557 . 0 0 "[ . 1 . 2]" 1
142 1 144 PHE H 1 145 MET HB3 . . 5.260 5.436 4.774 5.891 0.631 18 5 "[ *. * 1 -. + *]" 1
143 1 121 LEU H 1 122 ALA H . . 3.430 2.737 2.661 2.844 . 0 0 "[ . 1 . 2]" 1
144 1 119 TYR QD 1 122 ALA H . . 5.500 5.240 4.708 5.569 0.069 20 0 "[ . 1 . 2]" 1
145 1 122 ALA H 1 137 VAL QG . . 3.750 3.637 3.318 3.796 0.046 3 0 "[ . 1 . 2]" 1
146 1 101 LEU QD 1 114 LEU H . . 4.370 3.457 3.262 3.709 . 0 0 "[ . 1 . 2]" 1
147 1 113 ALA H 1 114 LEU H . . 3.890 2.759 2.718 2.813 . 0 0 "[ . 1 . 2]" 1
148 1 114 LEU H 1 115 LEU H . . 3.930 2.903 2.866 2.946 . 0 0 "[ . 1 . 2]" 1
149 1 102 PHE HZ 1 114 LEU H . . 4.520 3.702 3.473 4.054 . 0 0 "[ . 1 . 2]" 1
150 1 65 GLY HA2 1 66 ASP H . . 3.870 3.215 3.112 3.344 . 0 0 "[ . 1 . 2]" 1
151 1 66 ASP H 1 66 ASP HB3 . . 3.280 2.723 2.255 3.320 0.040 16 0 "[ . 1 . 2]" 1
152 1 63 ILE HB 1 66 ASP H . . 5.250 5.255 5.219 5.303 0.053 11 0 "[ . 1 . 2]" 1
153 1 166 LEU H 1 166 LEU HB3 . . 3.770 3.654 3.532 3.733 . 0 0 "[ . 1 . 2]" 1
154 1 138 THR H 1 139 ARG H . . 3.690 2.840 2.701 3.036 . 0 0 "[ . 1 . 2]" 1
155 1 108 TRP H 1 108 TRP HB3 . . 3.910 3.518 3.501 3.538 . 0 0 "[ . 1 . 2]" 1
156 1 108 TRP H 1 153 TRP HZ2 . . 4.310 2.682 2.563 2.881 . 0 0 "[ . 1 . 2]" 1
157 1 108 TRP H 1 166 LEU MD1 . . 5.360 5.216 4.909 5.514 0.154 1 0 "[ . 1 . 2]" 1
158 1 107 ASN HB3 1 108 TRP H . . 4.050 2.976 2.521 4.102 0.052 5 0 "[ . 1 . 2]" 1
159 1 110 ARG H 1 111 VAL H . . 3.860 2.704 2.606 2.819 . 0 0 "[ . 1 . 2]" 1
160 1 102 PHE QE 1 110 ARG H . . 5.110 4.664 4.343 4.896 . 0 0 "[ . 1 . 2]" 1
161 1 119 TYR HA 1 123 LEU H . . 4.150 3.976 3.683 4.192 0.042 4 0 "[ . 1 . 2]" 1
162 1 142 VAL H 1 143 ASP H . . 4.120 2.689 2.574 2.868 . 0 0 "[ . 1 . 2]" 1
163 1 139 ARG HA 1 142 VAL H . . 4.290 3.717 3.477 3.910 . 0 0 "[ . 1 . 2]" 1
164 1 141 VAL QG 1 142 VAL H . . 3.980 3.005 1.952 3.150 . 0 0 "[ . 1 . 2]" 1
165 1 66 ASP H 1 67 ASP H . . 3.830 3.029 2.920 3.102 . 0 0 "[ . 1 . 2]" 1
166 1 138 THR HB 1 139 ARG H . . 3.440 2.553 2.092 3.262 . 0 0 "[ . 1 . 2]" 1
167 1 135 GLY QA 1 139 ARG H . . 4.140 3.790 3.719 3.843 . 0 0 "[ . 1 . 2]" 1
168 1 139 ARG H 1 139 ARG HB3 . . 3.060 3.491 2.144 3.587 0.527 12 9 "[ ** *- 1 + * ** *]" 1
169 1 108 TRP H 1 108 TRP HD1 . . 4.130 3.523 3.427 3.659 . 0 0 "[ . 1 . 2]" 1
170 1 110 ARG H 1 111 VAL MG2 . . 5.350 4.224 4.130 4.317 . 0 0 "[ . 1 . 2]" 1
171 1 109 GLY H 1 110 ARG H . . 4.050 2.847 2.636 2.921 . 0 0 "[ . 1 . 2]" 1
172 1 112 VAL H 1 113 ALA H . . 3.820 2.692 2.615 2.770 . 0 0 "[ . 1 . 2]" 1
173 1 111 VAL H 1 112 VAL H . . 3.700 2.798 2.752 2.861 . 0 0 "[ . 1 . 2]" 1
174 1 108 TRP HE3 1 112 VAL H . . 5.270 4.307 3.876 4.623 . 0 0 "[ . 1 . 2]" 1
175 1 109 GLY HA2 1 112 VAL H . . 4.730 3.696 3.603 3.842 . 0 0 "[ . 1 . 2]" 1
176 1 112 VAL H 1 112 VAL QG . . 3.120 2.027 1.792 2.338 . 0 0 "[ . 1 . 2]" 1
177 1 64 ILE MD 1 112 VAL H . . 5.320 4.984 4.808 5.250 . 0 0 "[ . 1 . 2]" 1
178 1 120 ARG HA 1 123 LEU H . . 4.090 3.520 3.265 3.876 . 0 0 "[ . 1 . 2]" 1
179 1 122 ALA MB 1 123 LEU H . . 3.800 2.661 2.168 2.887 . 0 0 "[ . 1 . 2]" 1
180 1 123 LEU H 1 123 LEU QD . . 3.830 3.681 3.587 3.734 . 0 0 "[ . 1 . 2]" 1
181 1 144 PHE QD 1 146 LEU H . . 5.340 5.207 4.971 5.356 0.016 10 0 "[ . 1 . 2]" 1
182 1 114 LEU QD 1 115 LEU H . . 5.160 3.453 3.343 3.574 . 0 0 "[ . 1 . 2]" 1
183 1 56 GLN HA 1 59 ARG H . . 4.150 3.545 3.418 3.743 . 0 0 "[ . 1 . 2]" 1
184 1 59 ARG H 1 59 ARG HB3 . . 3.290 2.518 2.413 2.790 . 0 0 "[ . 1 . 2]" 1
185 1 58 GLY HA3 1 59 ARG H . . 3.740 2.890 2.734 2.975 . 0 0 "[ . 1 . 2]" 1
186 1 93 TYR H 1 94 PHE H . . 3.490 2.448 2.306 2.617 . 0 0 "[ . 1 . 2]" 1
187 1 94 PHE H 1 94 PHE QD . . 4.630 4.175 4.146 4.184 . 0 0 "[ . 1 . 2]" 1
188 1 93 TYR QD 1 94 PHE H . . 5.040 4.135 3.986 4.235 . 0 0 "[ . 1 . 2]" 1
189 1 94 PHE H 1 95 THR HA . . 5.500 5.462 5.437 5.478 . 0 0 "[ . 1 . 2]" 1
190 1 143 ASP HA 1 146 LEU H . . 4.520 3.770 3.582 4.040 . 0 0 "[ . 1 . 2]" 1
191 1 145 MET H 1 146 LEU H . . 4.290 2.770 2.602 2.923 . 0 0 "[ . 1 . 2]" 1
192 1 146 LEU H 1 146 LEU QD . . 4.020 2.975 2.186 3.416 . 0 0 "[ . 1 . 2]" 1
193 1 80 LEU H 1 81 GLN HB3 . . 4.540 5.647 5.337 5.830 1.290 17 20 [****************+**-] 1
194 1 163 ALA H 1 164 LEU H . . 4.350 2.433 2.353 2.823 . 0 0 "[ . 1 . 2]" 1
195 1 115 LEU H 1 116 GLY QA . . 5.100 4.484 4.449 4.522 . 0 0 "[ . 1 . 2]" 1
196 1 25 ARG H 1 26 HIS H . . 3.900 2.697 2.493 2.875 . 0 0 "[ . 1 . 2]" 1
197 1 26 HIS H 1 27 GLN H . . 3.610 2.545 2.498 2.656 . 0 0 "[ . 1 . 2]" 1
198 1 80 LEU H 1 81 GLN H . . 3.220 2.715 2.616 2.772 . 0 0 "[ . 1 . 2]" 1
199 1 7 GLU HA 1 10 VAL H . . 3.730 3.247 3.193 3.315 . 0 0 "[ . 1 . 2]" 1
200 1 10 VAL H 1 10 VAL HB . . 3.130 2.484 2.425 2.531 . 0 0 "[ . 1 . 2]" 1
201 1 9 GLN H 1 10 VAL H . . 3.990 2.460 2.445 2.489 . 0 0 "[ . 1 . 2]" 1
202 1 34 GLY H 1 35 VAL H . . 3.050 2.515 1.905 3.033 . 0 0 "[ . 1 . 2]" 1
203 1 34 GLY HA2 1 35 VAL H . . 3.130 2.867 2.551 3.169 0.039 19 0 "[ . 1 . 2]" 1
204 1 141 VAL H 1 142 VAL H . . 3.810 2.817 2.685 2.937 . 0 0 "[ . 1 . 2]" 1
205 1 140 PHE QD 1 141 VAL H . . 4.730 4.361 4.203 4.596 . 0 0 "[ . 1 . 2]" 1
206 1 141 VAL H 1 142 VAL QG . . 4.320 4.074 3.553 4.276 . 0 0 "[ . 1 . 2]" 1
207 1 75 GLU H 1 77 GLN H . . 4.620 4.175 3.822 4.484 . 0 0 "[ . 1 . 2]" 1
208 1 76 PHE H 1 77 GLN H . . 3.370 2.534 2.265 2.928 . 0 0 "[ . 1 . 2]" 1
209 1 126 TYR QE 1 127 GLN H . . 5.500 4.982 3.817 5.490 . 0 0 "[ . 1 . 2]" 1
210 1 69 ASN H 1 70 ARG H . . 3.660 2.968 2.711 3.060 . 0 0 "[ . 1 . 2]" 1
211 1 68 ILE H 1 69 ASN H . . 3.650 2.838 2.777 2.941 . 0 0 "[ . 1 . 2]" 1
212 1 68 ILE HB 1 69 ASN H . . 3.620 2.393 2.204 2.569 . 0 0 "[ . 1 . 2]" 1
213 1 26 HIS H 1 26 HIS HB3 . . 3.590 3.426 3.023 3.572 . 0 0 "[ . 1 . 2]" 1
214 1 151 ALA MB 1 152 ARG H . . 3.860 2.285 2.015 2.503 . 0 0 "[ . 1 . 2]" 1
215 1 6 SER HA 1 8 GLU H . . 4.350 4.246 4.061 4.536 0.186 4 0 "[ . 1 . 2]" 1
216 1 152 ARG HA 1 154 ILE H . . 5.020 4.718 4.523 4.838 . 0 0 "[ . 1 . 2]" 1
217 1 167 GLY HA2 1 168 ASN H . . 3.720 3.383 3.239 3.520 . 0 0 "[ . 1 . 2]" 1
218 1 168 ASN H 1 168 ASN HB3 . . 3.590 3.034 2.290 3.494 . 0 0 "[ . 1 . 2]" 1
219 1 60 GLN HE22 1 168 ASN H . . 5.130 2.647 1.896 3.887 . 0 0 "[ . 1 . 2]" 1
220 1 139 ARG H 1 140 PHE H . . 3.340 2.705 2.563 2.774 . 0 0 "[ . 1 . 2]" 1
221 1 140 PHE H 1 140 PHE QD . . 3.620 3.179 2.537 3.441 . 0 0 "[ . 1 . 2]" 1
222 1 137 VAL QG 1 140 PHE H . . 4.600 4.361 4.273 4.449 . 0 0 "[ . 1 . 2]" 1
223 1 30 GLN H 1 30 GLN QE . . 4.980 2.780 2.417 3.348 . 0 0 "[ . 1 . 2]" 1
224 1 29 GLU HA 1 30 GLN H . . 3.510 3.485 3.467 3.569 0.059 3 0 "[ . 1 . 2]" 1
225 1 152 ARG H 1 154 ILE H . . 4.660 4.539 4.383 4.669 0.009 4 0 "[ . 1 . 2]" 1
226 1 154 ILE H 1 154 ILE HB . . 3.700 2.435 2.363 2.489 . 0 0 "[ . 1 . 2]" 1
227 1 154 ILE H 1 155 ALA H . . 3.260 2.801 2.754 2.834 . 0 0 "[ . 1 . 2]" 1
228 1 167 GLY HA3 1 168 ASN H . . 3.510 2.181 2.136 2.327 . 0 0 "[ . 1 . 2]" 1
229 1 153 TRP H 1 154 ILE H . . 3.820 2.875 2.797 2.912 . 0 0 "[ . 1 . 2]" 1
230 1 11 ALA H 1 12 GLN H . . 3.690 2.845 2.798 2.933 . 0 0 "[ . 1 . 2]" 1
231 1 59 ARG HA 1 60 GLN H . . 3.920 3.570 3.566 3.572 . 0 0 "[ . 1 . 2]" 1
232 1 59 ARG HB3 1 60 GLN H . . 4.430 2.265 2.171 2.387 . 0 0 "[ . 1 . 2]" 1
233 1 59 ARG H 1 60 GLN H . . 3.660 2.881 2.769 2.965 . 0 0 "[ . 1 . 2]" 1
234 1 71 ARG H 1 71 ARG HD3 . . 4.330 4.571 4.110 5.255 0.925 18 8 "[ **. *1** -. + *]" 1
235 1 68 ILE MG 1 71 ARG H . . 4.990 4.708 4.635 4.791 . 0 0 "[ . 1 . 2]" 1
236 1 106 ILE HB 1 107 ASN H . . 4.390 3.854 3.494 4.245 . 0 0 "[ . 1 . 2]" 1
237 1 106 ILE HG13 1 107 ASN H . . 5.160 5.158 5.000 5.225 0.065 14 0 "[ . 1 . 2]" 1
238 1 157 ARG H 1 157 ARG HE . . 4.350 3.758 3.627 3.870 . 0 0 "[ . 1 . 2]" 1
239 1 157 ARG HA 1 157 ARG HE . . 4.590 2.327 2.031 2.656 . 0 0 "[ . 1 . 2]" 1
240 1 119 TYR QD 1 120 ARG H . . 5.070 3.932 3.072 4.326 . 0 0 "[ . 1 . 2]" 1
241 1 23 PHE QD 1 24 TYR H . . 4.590 3.578 2.736 3.964 . 0 0 "[ . 1 . 2]" 1
242 1 23 PHE H 1 24 TYR H . . 4.500 2.598 2.503 2.772 . 0 0 "[ . 1 . 2]" 1
243 1 24 TYR H 1 24 TYR HB3 . . 3.920 3.468 3.347 3.549 . 0 0 "[ . 1 . 2]" 1
244 1 124 HIS H 1 125 VAL H . . 3.670 2.651 2.328 2.824 . 0 0 "[ . 1 . 2]" 1
245 1 123 LEU QD 1 124 HIS H . . 4.660 3.785 3.180 4.131 . 0 0 "[ . 1 . 2]" 1
246 1 54 MET ME 1 160 TRP H . . 5.150 4.325 3.745 4.921 . 0 0 "[ . 1 . 2]" 1
247 1 159 GLY HA3 1 160 TRP H . . 3.410 2.522 2.453 2.647 . 0 0 "[ . 1 . 2]" 1
248 1 154 ILE MG 1 160 TRP H . . 4.130 3.019 2.789 3.168 . 0 0 "[ . 1 . 2]" 1
249 1 70 ARG H 1 71 ARG H . . 3.990 2.739 2.662 2.790 . 0 0 "[ . 1 . 2]" 1
250 1 10 VAL MG2 1 160 TRP H . . 4.380 4.379 4.099 4.424 0.044 14 0 "[ . 1 . 2]" 1
251 1 153 TRP HE3 1 154 ILE H . . 3.910 2.479 2.440 2.537 . 0 0 "[ . 1 . 2]" 1
252 1 12 GLN H 1 146 LEU QD . . 4.410 4.422 4.190 4.629 0.219 9 0 "[ . 1 . 2]" 1
253 1 9 GLN HA 1 12 GLN H . . 3.590 3.581 3.496 3.678 0.088 18 0 "[ . 1 . 2]" 1
254 1 28 GLN H 1 28 GLN HE21 . . 5.210 4.001 3.354 5.093 . 0 0 "[ . 1 . 2]" 1
255 1 52 SER H 1 53 THR H . . 4.630 4.459 4.369 4.549 . 0 0 "[ . 1 . 2]" 1
256 1 16 GLU H 1 17 VAL HB . . 4.950 4.829 4.692 4.893 . 0 0 "[ . 1 . 2]" 1
257 1 69 ASN HA 1 71 ARG H . . 4.320 4.125 3.849 4.326 0.006 17 0 "[ . 1 . 2]" 1
258 1 16 GLU H 1 18 PHE H . . 5.050 3.930 3.904 3.989 . 0 0 "[ . 1 . 2]" 1
259 1 69 ASN H 1 71 ARG H . . 4.590 3.873 3.738 4.018 . 0 0 "[ . 1 . 2]" 1
260 1 106 ILE H 1 107 ASN H . . 4.980 4.426 4.166 4.565 . 0 0 "[ . 1 . 2]" 1
261 1 102 PHE QE 1 107 ASN H . . 4.040 3.418 3.200 3.725 . 0 0 "[ . 1 . 2]" 1
262 1 107 ASN H 1 110 ARG H . . 4.340 3.741 3.365 4.000 . 0 0 "[ . 1 . 2]" 1
263 1 102 PHE QD 1 107 ASN H . . 4.400 3.586 3.316 3.760 . 0 0 "[ . 1 . 2]" 1
264 1 106 ILE HA 1 107 ASN H . . 3.130 2.200 2.152 2.336 . 0 0 "[ . 1 . 2]" 1
265 1 107 ASN H 1 110 ARG HD3 . . 4.320 3.311 2.509 4.011 . 0 0 "[ . 1 . 2]" 1
266 1 107 ASN H 1 111 VAL H . . 4.890 3.837 3.703 4.077 . 0 0 "[ . 1 . 2]" 1
267 1 18 PHE H 1 115 LEU QD . . 5.040 3.702 3.463 3.934 . 0 0 "[ . 1 . 2]" 1
268 1 17 VAL HB 1 18 PHE H . . 3.530 2.808 2.742 2.897 . 0 0 "[ . 1 . 2]" 1
269 1 17 VAL MG1 1 18 PHE H . . 4.170 3.436 3.272 3.509 . 0 0 "[ . 1 . 2]" 1
270 1 17 VAL H 1 18 PHE H . . 3.640 2.652 2.625 2.722 . 0 0 "[ . 1 . 2]" 1
271 1 18 PHE H 1 18 PHE QD . . 4.510 4.159 4.122 4.183 . 0 0 "[ . 1 . 2]" 1
272 1 20 SER HA 1 24 TYR H . . 5.360 3.883 3.721 4.132 . 0 0 "[ . 1 . 2]" 1
273 1 17 VAL MG2 1 54 MET H . . 4.750 4.650 4.236 4.897 0.147 18 0 "[ . 1 . 2]" 1
274 1 120 ARG HA 1 124 HIS H . . 4.980 4.221 4.074 4.384 . 0 0 "[ . 1 . 2]" 1
275 1 63 ILE H 1 66 ASP H . . 4.980 4.612 4.453 4.733 . 0 0 "[ . 1 . 2]" 1
276 1 62 ALA MB 1 63 ILE H . . 4.940 2.858 2.794 2.892 . 0 0 "[ . 1 . 2]" 1
277 1 91 TYR H 1 140 PHE HZ . . 4.420 4.097 3.991 4.329 . 0 0 "[ . 1 . 2]" 1
278 1 91 TYR H 1 91 TYR HB3 . . 3.150 2.570 2.531 2.610 . 0 0 "[ . 1 . 2]" 1
279 1 54 MET H 1 55 GLY H . . 3.440 2.835 2.624 2.999 . 0 0 "[ . 1 . 2]" 1
280 1 53 THR HB 1 54 MET H . . 3.360 2.904 2.625 3.205 . 0 0 "[ . 1 . 2]" 1
281 1 54 MET H 1 54 MET HG3 . . 3.540 3.476 3.182 3.589 0.049 15 0 "[ . 1 . 2]" 1
282 1 53 THR MG 1 54 MET H . . 4.500 3.874 3.511 4.219 . 0 0 "[ . 1 . 2]" 1
283 1 53 THR H 1 54 MET H . . 3.580 2.651 2.534 2.802 . 0 0 "[ . 1 . 2]" 1
284 1 92 GLU H 1 93 TYR H . . 4.790 2.770 2.637 2.860 . 0 0 "[ . 1 . 2]" 1
285 1 106 ILE H 1 106 ILE HG13 . . 3.760 2.400 2.186 2.756 . 0 0 "[ . 1 . 2]" 1
286 1 156 GLN H 1 157 ARG H . . 3.420 2.507 2.437 2.548 . 0 0 "[ . 1 . 2]" 1
287 1 25 ARG HE 1 69 ASN HD22 . . 4.640 4.062 2.945 4.869 0.229 19 0 "[ . 1 . 2]" 1
288 1 92 GLU HB3 1 93 TYR H . . 3.990 2.640 2.420 2.844 . 0 0 "[ . 1 . 2]" 1
289 1 105 GLY H 1 106 ILE H . . 4.700 4.360 4.103 4.440 . 0 0 "[ . 1 . 2]" 1
290 1 102 PHE HA 1 106 ILE H . . 5.500 5.554 5.409 5.628 0.128 1 0 "[ . 1 . 2]" 1
291 1 105 GLY HA2 1 106 ILE H . . 3.200 2.523 2.138 3.028 . 0 0 "[ . 1 . 2]" 1
292 1 105 GLY HA3 1 106 ILE H . . 3.070 2.636 2.202 3.237 0.167 14 0 "[ . 1 . 2]" 1
293 1 106 ILE H 1 106 ILE HB . . 3.210 2.821 2.679 3.029 . 0 0 "[ . 1 . 2]" 1
294 1 106 ILE H 1 106 ILE MG . . 4.140 3.896 3.830 3.992 . 0 0 "[ . 1 . 2]" 1
295 1 18 PHE H 1 19 ARG H . . 3.680 2.766 2.681 2.846 . 0 0 "[ . 1 . 2]" 1
296 1 19 ARG H 1 20 SER H . . 3.670 2.750 2.685 2.847 . 0 0 "[ . 1 . 2]" 1
297 1 18 PHE QD 1 19 ARG H . . 5.000 2.919 2.548 3.430 . 0 0 "[ . 1 . 2]" 1
298 1 32 ALA H 1 33 GLU H . . 3.060 2.715 2.448 2.953 . 0 0 "[ . 1 . 2]" 1
299 1 81 GLN H 1 82 HIS H . . 3.780 2.659 2.581 2.728 . 0 0 "[ . 1 . 2]" 1
300 1 78 THR HA 1 81 GLN H . . 3.950 3.933 3.841 4.011 0.061 1 0 "[ . 1 . 2]" 1
301 1 81 GLN H 1 81 GLN HB3 . . 3.490 3.139 2.930 3.280 . 0 0 "[ . 1 . 2]" 1
302 1 80 LEU HB3 1 81 GLN H . . 3.760 3.167 2.994 3.449 . 0 0 "[ . 1 . 2]" 1
303 1 137 VAL H 1 137 VAL HB . . 3.310 2.608 2.370 2.727 . 0 0 "[ . 1 . 2]" 1
304 1 66 ASP HB3 1 67 ASP H . . 2.830 2.149 2.075 2.230 . 0 0 "[ . 1 . 2]" 1
305 1 19 ARG H 1 46 LEU QD . . 5.320 4.476 4.030 4.948 . 0 0 "[ . 1 . 2]" 1
306 1 144 PHE QE 1 145 MET H . . 5.240 4.784 3.852 5.268 0.028 14 0 "[ . 1 . 2]" 1
307 1 144 PHE QD 1 145 MET H . . 5.210 2.975 2.758 3.205 . 0 0 "[ . 1 . 2]" 1
308 1 144 PHE HB3 1 145 MET H . . 3.550 2.922 2.356 3.658 0.108 12 0 "[ . 1 . 2]" 1
309 1 145 MET H 1 145 MET HB3 . . 3.870 3.013 2.528 3.332 . 0 0 "[ . 1 . 2]" 1
310 1 141 VAL QG 1 145 MET H . . 5.180 4.008 3.769 4.695 . 0 0 "[ . 1 . 2]" 1
311 1 3 PRO HB3 1 4 SER H . . 3.060 3.300 3.202 3.383 0.323 1 0 "[ . 1 . 2]" 1
312 1 152 ARG HA 1 152 ARG HE . . 5.140 4.342 2.432 5.059 . 0 0 "[ . 1 . 2]" 1
313 1 60 GLN H 1 61 LEU H . . 3.360 2.790 2.699 2.889 . 0 0 "[ . 1 . 2]" 1
314 1 21 TYR QD 1 61 LEU H . . 4.280 4.215 4.088 4.307 0.027 6 0 "[ . 1 . 2]" 1
315 1 61 LEU H 1 61 LEU HB3 . . 3.850 3.586 3.584 3.588 . 0 0 "[ . 1 . 2]" 1
316 1 61 LEU H 1 61 LEU HG . . 3.400 2.233 2.079 2.294 . 0 0 "[ . 1 . 2]" 1
317 1 17 VAL MG1 1 61 LEU H . . 5.500 5.212 4.922 5.529 0.029 18 0 "[ . 1 . 2]" 1
318 1 58 GLY HA2 1 61 LEU H . . 5.110 3.727 3.604 3.803 . 0 0 "[ . 1 . 2]" 1
319 1 22 VAL H 1 23 PHE H . . 4.620 2.670 2.620 2.728 . 0 0 "[ . 1 . 2]" 1
320 1 21 TYR QD 1 22 VAL H . . 3.970 2.424 2.360 2.502 . 0 0 "[ . 1 . 2]" 1
321 1 22 VAL H 1 22 VAL QG . . 3.380 1.866 1.799 2.002 . 0 0 "[ . 1 . 2]" 1
322 1 19 ARG HA 1 22 VAL H . . 4.890 3.929 3.861 3.975 . 0 0 "[ . 1 . 2]" 1
323 1 77 GLN HE21 1 78 THR H . . 5.430 4.328 2.545 5.401 . 0 0 "[ . 1 . 2]" 1
324 1 77 GLN H 1 78 THR H . . 3.440 2.568 2.488 2.655 . 0 0 "[ . 1 . 2]" 1
325 1 78 THR H 1 78 THR HB . . 2.930 2.630 2.557 2.737 . 0 0 "[ . 1 . 2]" 1
326 1 78 THR H 1 78 THR MG . . 3.860 3.763 3.745 3.767 . 0 0 "[ . 1 . 2]" 1
327 1 82 HIS H 1 83 LEU H . . 3.670 2.538 2.343 2.778 . 0 0 "[ . 1 . 2]" 1
328 1 81 GLN HB3 1 82 HIS H . . 3.790 3.170 3.048 3.276 . 0 0 "[ . 1 . 2]" 1
329 1 98 ALA MB 1 100 SER H . . 4.950 4.383 4.231 4.603 . 0 0 "[ . 1 . 2]" 1
330 1 100 SER H 1 101 LEU H . . 3.160 2.566 2.472 2.726 . 0 0 "[ . 1 . 2]" 1
331 1 99 THR HB 1 100 SER H . . 3.080 2.646 2.360 2.803 . 0 0 "[ . 1 . 2]" 1
332 1 99 THR HA 1 100 SER H . . 3.560 3.532 3.507 3.562 0.002 9 0 "[ . 1 . 2]" 1
333 1 148 HIS H 1 148 HIS HB3 . . 3.570 3.494 3.350 3.583 0.013 18 0 "[ . 1 . 2]" 1
334 1 146 LEU QD 1 148 HIS H . . 5.500 5.280 4.762 5.639 0.139 4 0 "[ . 1 . 2]" 1
335 1 82 HIS H 1 82 HIS HD2 . . 4.760 2.690 2.598 2.819 . 0 0 "[ . 1 . 2]" 1
336 1 81 GLN HA 1 82 HIS H . . 3.970 3.461 3.454 3.466 . 0 0 "[ . 1 . 2]" 1
337 1 97 ILE MD 1 100 SER H . . 5.140 5.075 4.982 5.139 . 0 0 "[ . 1 . 2]" 1
338 1 167 GLY H 1 169 GLY H . . 4.490 4.200 3.658 4.499 0.009 10 0 "[ . 1 . 2]" 1
339 1 145 MET HA 1 148 HIS H . . 4.590 4.126 3.401 4.684 0.094 4 0 "[ . 1 . 2]" 1
340 1 73 ASP H 1 74 SER H . . 4.080 2.634 2.374 2.828 . 0 0 "[ . 1 . 2]" 1
341 1 74 SER H 1 75 GLU H . . 3.260 2.776 2.379 2.927 . 0 0 "[ . 1 . 2]" 1
342 1 73 ASP HB3 1 74 SER H . . 3.870 2.767 2.359 3.929 0.059 9 0 "[ . 1 . 2]" 1
343 1 166 LEU HA 1 169 GLY H . . 4.940 4.306 3.863 4.894 . 0 0 "[ . 1 . 2]" 1
344 1 168 ASN HB3 1 169 GLY H . . 4.650 4.010 3.628 4.352 . 0 0 "[ . 1 . 2]" 1
345 1 164 LEU QD 1 165 ASN H . . 4.340 2.127 1.881 3.174 . 0 0 "[ . 1 . 2]" 1
346 1 164 LEU HB3 1 165 ASN H . . 4.000 4.159 3.869 4.461 0.461 7 0 "[ . 1 . 2]" 1
347 1 14 THR H 1 160 TRP HE1 . . 4.150 3.236 3.004 3.450 . 0 0 "[ . 1 . 2]" 1
348 1 135 GLY QA 1 138 THR H . . 4.680 3.676 3.480 3.777 . 0 0 "[ . 1 . 2]" 1
349 1 68 ILE HA 1 72 TYR H . . 4.880 4.122 3.985 4.241 . 0 0 "[ . 1 . 2]" 1
350 1 72 TYR H 1 72 TYR HB3 . . 3.880 3.671 3.603 3.754 . 0 0 "[ . 1 . 2]" 1
351 1 71 ARG HB3 1 72 TYR H . . 4.310 2.824 2.767 2.879 . 0 0 "[ . 1 . 2]" 1
352 1 72 TYR H 1 73 ASP H . . 3.970 2.592 2.160 2.858 . 0 0 "[ . 1 . 2]" 1
353 1 5 ALA HA 1 6 SER H . . 2.720 2.325 2.225 2.619 . 0 0 "[ . 1 . 2]" 1
354 1 6 SER H 1 6 SER HB3 . . 3.070 3.396 2.877 3.660 0.590 4 1 "[ +. 1 . 2]" 1
355 1 18 PHE QE 1 138 THR H . . 5.190 4.203 3.371 4.821 . 0 0 "[ . 1 . 2]" 1
356 1 137 VAL H 1 138 THR H . . 3.500 2.865 2.708 2.924 . 0 0 "[ . 1 . 2]" 1
357 1 138 THR H 1 140 PHE H . . 5.110 4.215 3.896 4.429 . 0 0 "[ . 1 . 2]" 1
358 1 138 THR H 1 138 THR HB . . 3.700 2.906 2.590 3.459 . 0 0 "[ . 1 . 2]" 1
359 1 128 HIS H 1 128 HIS HB3 . . 3.430 2.916 2.334 3.274 . 0 0 "[ . 1 . 2]" 1
360 1 127 GLN H 1 128 HIS H . . 3.340 2.593 2.469 2.718 . 0 0 "[ . 1 . 2]" 1
361 1 164 LEU H 1 164 LEU HG . . 3.940 3.246 1.800 4.025 0.085 6 0 "[ . 1 . 2]" 1
362 1 164 LEU H 1 164 LEU QD . . 3.440 2.030 1.624 2.868 . 0 0 "[ . 1 . 2]" 1
363 1 163 ALA MB 1 164 LEU H . . 4.420 2.856 2.465 3.135 . 0 0 "[ . 1 . 2]" 1
364 1 86 THR H 1 89 ASN H . . 4.030 3.715 3.520 3.878 . 0 0 "[ . 1 . 2]" 1
365 1 87 ALA H 1 89 ASN H . . 4.440 4.106 3.794 4.247 . 0 0 "[ . 1 . 2]" 1
366 1 86 THR H 1 125 VAL QG . . 5.210 3.673 3.071 4.319 . 0 0 "[ . 1 . 2]" 1
367 1 85 PRO HB3 1 86 THR H . . 3.880 3.285 3.191 3.466 . 0 0 "[ . 1 . 2]" 1
368 1 88 GLU H 1 89 ASN H . . 3.270 2.489 2.320 2.612 . 0 0 "[ . 1 . 2]" 1
369 1 137 VAL QG 1 138 THR H . . 4.270 3.077 2.880 3.145 . 0 0 "[ . 1 . 2]" 1
370 1 89 ASN H 1 90 ALA H . . 2.840 2.360 2.157 2.475 . 0 0 "[ . 1 . 2]" 1
371 1 89 ASN H 1 90 ALA MB . . 4.310 3.978 3.762 4.070 . 0 0 "[ . 1 . 2]" 1
372 1 92 GLU HA 1 95 THR H . . 4.620 4.351 4.183 4.560 . 0 0 "[ . 1 . 2]" 1
373 1 94 PHE H 1 95 THR H . . 3.790 2.920 2.885 2.942 . 0 0 "[ . 1 . 2]" 1
374 1 92 GLU H 1 95 THR H . . 5.040 4.813 4.749 4.918 . 0 0 "[ . 1 . 2]" 1
375 1 146 LEU QD 1 147 HIS H . . 4.940 4.246 3.889 4.534 . 0 0 "[ . 1 . 2]" 1
376 1 125 VAL H 1 125 VAL QG . . 4.200 1.955 1.856 2.532 . 0 0 "[ . 1 . 2]" 1
377 1 95 THR H 1 97 ILE MD . . 5.500 5.475 5.303 5.558 0.058 7 0 "[ . 1 . 2]" 1
378 1 94 PHE QD 1 95 THR H . . 4.010 3.244 2.813 3.521 . 0 0 "[ . 1 . 2]" 1
379 1 146 LEU H 1 147 HIS H . . 3.690 2.598 2.455 2.766 . 0 0 "[ . 1 . 2]" 1
380 1 147 HIS H 1 148 HIS H . . 3.920 2.701 2.055 3.592 . 0 0 "[ . 1 . 2]" 1
381 1 147 HIS H 1 147 HIS HB3 . . 3.590 3.599 3.383 3.747 0.157 12 0 "[ . 1 . 2]" 1
382 1 44 VAL H 1 45 THR H . . 2.950 2.499 2.137 2.819 . 0 0 "[ . 1 . 2]" 1
383 1 43 MET HB3 1 44 VAL H . . 4.700 3.352 2.121 4.248 . 0 0 "[ . 1 . 2]" 1
384 1 161 VAL H 1 162 ALA H . . 3.630 2.570 2.523 2.661 . 0 0 "[ . 1 . 2]" 1
385 1 161 VAL H 1 161 VAL MG2 . . 3.300 2.059 1.917 2.217 . 0 0 "[ . 1 . 2]" 1
386 1 161 VAL H 1 162 ALA MB . . 4.800 4.086 3.958 4.283 . 0 0 "[ . 1 . 2]" 1
387 1 99 THR H 1 100 SER H . . 3.710 2.827 2.776 2.921 . 0 0 "[ . 1 . 2]" 1
388 1 99 THR H 1 102 PHE QD . . 4.510 4.546 4.438 4.631 0.121 14 0 "[ . 1 . 2]" 1
389 1 99 THR H 1 99 THR HB . . 3.500 2.620 2.516 2.735 . 0 0 "[ . 1 . 2]" 1
390 1 98 ALA MB 1 99 THR H . . 4.020 2.310 2.186 2.474 . 0 0 "[ . 1 . 2]" 1
391 1 44 VAL H 1 45 THR HA . . 5.230 4.834 4.385 5.241 0.011 17 0 "[ . 1 . 2]" 1
392 1 19 ARG HB3 1 20 SER H . . 4.270 3.258 2.581 3.727 . 0 0 "[ . 1 . 2]" 1
393 1 20 SER H 1 21 TYR H . . 3.430 2.618 2.575 2.694 . 0 0 "[ . 1 . 2]" 1
394 1 20 SER H 1 48 LEU QD . . 4.480 3.996 3.457 4.533 0.053 8 0 "[ . 1 . 2]" 1
395 1 69 ASN HD21 1 70 ARG H . . 4.590 3.545 2.130 4.735 0.145 1 0 "[ . 1 . 2]" 1
396 1 133 PHE HA 1 136 GLN HE21 . . 4.440 3.813 2.973 4.528 0.088 3 0 "[ . 1 . 2]" 1
397 1 69 ASN HA 1 69 ASN HD22 . . 5.330 4.456 3.278 4.954 . 0 0 "[ . 1 . 2]" 1
398 1 60 GLN HE22 1 167 GLY HA3 . . 5.280 3.653 2.170 4.830 . 0 0 "[ . 1 . 2]" 1
399 1 60 GLN HE21 1 168 ASN H . . 4.180 2.815 2.096 3.737 . 0 0 "[ . 1 . 2]" 1
400 1 60 GLN HE21 1 64 ILE MG . . 5.410 3.030 1.932 4.480 . 0 0 "[ . 1 . 2]" 1
401 1 165 ASN HA 1 165 ASN HD22 . . 5.060 4.242 3.316 4.800 . 0 0 "[ . 1 . 2]" 1
402 1 60 GLN HA 1 60 GLN HE22 . . 4.970 3.540 3.179 4.074 . 0 0 "[ . 1 . 2]" 1
403 1 60 GLN HE22 1 168 ASN HB3 . . 5.140 3.769 2.895 5.691 0.551 2 1 "[ + . 1 . 2]" 1
404 1 9 GLN HA 1 12 GLN HE21 . . 4.910 3.887 2.433 4.801 . 0 0 "[ . 1 . 2]" 1
405 1 9 GLN HE22 1 159 GLY HA2 . . 4.220 3.642 2.781 4.269 0.049 14 0 "[ . 1 . 2]" 1
406 1 30 GLN QE 1 38 PRO HD3 . . 4.860 3.842 2.405 5.509 0.649 12 2 "[ . 1 + . -2]" 1
407 1 6 SER H 1 9 GLN HE21 . . 5.500 4.041 3.348 4.654 . 0 0 "[ . 1 . 2]" 1
408 1 51 SER H 1 52 SER H . . 3.080 2.442 2.227 2.599 . 0 0 "[ . 1 . 2]" 1
409 1 50 PRO HA 1 51 SER H . . 3.330 3.387 3.379 3.415 0.085 18 0 "[ . 1 . 2]" 1
410 1 50 PRO HB3 1 51 SER H . . 3.830 4.407 4.368 4.419 0.589 1 20 [+***-***************] 1
411 1 105 GLY H 1 110 ARG HE . . 4.080 3.652 2.871 4.142 0.062 14 0 "[ . 1 . 2]" 1
412 1 5 ALA HA 1 9 GLN HE21 . . 5.150 4.497 3.895 4.874 . 0 0 "[ . 1 . 2]" 1
413 1 104 SER H 1 105 GLY H . . 3.120 2.585 1.978 2.866 . 0 0 "[ . 1 . 2]" 1
414 1 155 ALA MB 1 156 GLN HE21 . . 5.500 4.698 3.956 5.643 0.143 10 0 "[ . 1 . 2]" 1
415 1 56 GLN HE21 1 164 LEU QD . . 4.650 3.567 2.597 4.545 . 0 0 "[ . 1 . 2]" 1
416 1 123 LEU QD 1 127 GLN HE22 . . 5.380 4.342 3.255 5.416 0.036 6 0 "[ . 1 . 2]" 1
417 1 86 THR H 1 89 ASN HD21 . . 4.960 4.465 3.998 4.886 . 0 0 "[ . 1 . 2]" 1
418 1 45 THR H 1 45 THR MG . . 4.440 3.446 2.553 3.980 . 0 0 "[ . 1 . 2]" 1
419 1 101 LEU H 1 102 PHE H . . 3.720 2.670 2.589 2.791 . 0 0 "[ . 1 . 2]" 1
420 1 102 PHE H 1 102 PHE QD . . 3.340 2.432 2.037 2.687 . 0 0 "[ . 1 . 2]" 1
421 1 102 PHE H 1 102 PHE HB3 . . 3.570 3.647 3.594 3.668 0.098 9 0 "[ . 1 . 2]" 1
422 1 101 LEU QD 1 102 PHE H . . 4.400 3.844 3.630 3.964 . 0 0 "[ . 1 . 2]" 1
423 1 99 THR MG 1 102 PHE H . . 5.500 5.048 4.861 5.241 . 0 0 "[ . 1 . 2]" 1
424 1 83 LEU HB3 1 84 GLN H . . 4.930 2.203 1.976 2.565 . 0 0 "[ . 1 . 2]" 1
425 1 44 VAL MG2 1 45 THR H . . 5.400 3.802 3.640 3.949 . 0 0 "[ . 1 . 2]" 1
426 1 148 HIS HA 1 149 CYS H . . 3.700 3.080 2.585 3.558 . 0 0 "[ . 1 . 2]" 1
427 1 149 CYS H 1 149 CYS HB3 . . 3.980 3.805 3.034 4.069 0.089 6 0 "[ . 1 . 2]" 1
428 1 54 MET HB3 1 55 GLY H . . 4.630 3.429 2.847 4.013 . 0 0 "[ . 1 . 2]" 1
429 1 53 THR MG 1 55 GLY H . . 5.280 4.999 4.577 5.305 0.025 2 0 "[ . 1 . 2]" 1
430 1 135 GLY H 1 136 GLN H . . 4.110 2.796 2.705 2.878 . 0 0 "[ . 1 . 2]" 1
431 1 134 LEU HG 1 135 GLY H . . 5.170 1.925 1.886 1.948 . 0 0 "[ . 1 . 2]" 1
432 1 166 LEU H 1 167 GLY H . . 4.660 4.460 4.136 4.643 . 0 0 "[ . 1 . 2]" 1
433 1 103 GLU HA 1 104 SER H . . 3.740 3.490 3.375 3.559 . 0 0 "[ . 1 . 2]" 1
434 1 103 GLU H 1 104 SER H . . 3.760 2.577 2.380 2.864 . 0 0 "[ . 1 . 2]" 1
435 1 104 SER H 1 104 SER HB3 . . 3.760 3.435 2.956 3.705 . 0 0 "[ . 1 . 2]" 1
436 1 166 LEU HB3 1 167 GLY H . . 4.070 2.273 1.738 3.788 . 0 0 "[ . 1 . 2]" 1
437 1 166 LEU HA 1 167 GLY H . . 3.220 2.529 2.145 2.822 . 0 0 "[ . 1 . 2]" 1
438 1 102 PHE HA 1 104 SER H . . 5.050 3.596 3.121 4.058 . 0 0 "[ . 1 . 2]" 1
439 1 107 ASN HB3 1 109 GLY H . . 4.310 3.568 3.042 4.420 0.110 5 0 "[ . 1 . 2]" 1
440 1 155 ALA HA 1 159 GLY H . . 3.350 2.298 2.205 2.355 . 0 0 "[ . 1 . 2]" 1
441 1 159 GLY H 1 162 ALA MB . . 5.150 4.122 3.704 4.526 . 0 0 "[ . 1 . 2]" 1
442 1 157 ARG H 1 159 GLY H . . 3.880 3.701 3.492 3.788 . 0 0 "[ . 1 . 2]" 1
443 1 155 ALA MB 1 159 GLY H . . 3.910 3.924 3.841 3.965 0.055 6 0 "[ . 1 . 2]" 1
444 1 154 ILE MG 1 159 GLY H . . 4.010 3.308 3.257 3.391 . 0 0 "[ . 1 . 2]" 1
445 1 109 GLY H 1 111 VAL H . . 5.330 4.370 4.153 4.556 . 0 0 "[ . 1 . 2]" 1
446 1 114 LEU H 1 116 GLY H . . 5.020 4.207 4.173 4.262 . 0 0 "[ . 1 . 2]" 1
447 1 113 ALA MB 1 116 GLY H . . 5.500 4.551 4.513 4.580 . 0 0 "[ . 1 . 2]" 1
448 1 115 LEU H 1 116 GLY H . . 4.110 2.637 2.593 2.681 . 0 0 "[ . 1 . 2]" 1
449 1 115 LEU HA 1 118 GLY H . . 4.250 3.290 3.219 3.397 . 0 0 "[ . 1 . 2]" 1
450 1 114 LEU QD 1 118 GLY H . . 4.670 4.085 3.621 4.523 . 0 0 "[ . 1 . 2]" 1
451 1 18 PHE QE 1 118 GLY H . . 4.950 4.219 4.074 4.578 . 0 0 "[ . 1 . 2]" 1
452 1 129 GLY H 1 130 LEU H . . 4.090 2.694 1.872 3.607 . 0 0 "[ . 1 . 2]" 1
453 1 128 HIS HA 1 129 GLY H . . 3.630 3.469 3.448 3.482 . 0 0 "[ . 1 . 2]" 1
454 1 58 GLY H 1 59 ARG H . . 3.840 2.823 2.797 2.907 . 0 0 "[ . 1 . 2]" 1
455 1 17 VAL MG2 1 58 GLY H . . 5.000 3.639 3.176 3.929 . 0 0 "[ . 1 . 2]" 1
456 1 157 ARG H 1 158 GLY H . . 3.210 2.536 2.488 2.549 . 0 0 "[ . 1 . 2]" 1
457 1 157 ARG HA 1 158 GLY H . . 3.700 3.322 3.289 3.381 . 0 0 "[ . 1 . 2]" 1
458 1 158 GLY H 1 162 ALA MB . . 5.120 4.204 3.795 4.560 . 0 0 "[ . 1 . 2]" 1
459 1 157 ARG HB3 1 158 GLY H . . 4.570 4.263 4.176 4.299 . 0 0 "[ . 1 . 2]" 1
460 1 158 GLY H 1 159 GLY H . . 2.980 2.070 1.944 2.184 . 0 0 "[ . 1 . 2]" 1
461 1 86 THR HA 1 86 THR HB . . 3.030 2.467 2.426 2.550 . 0 0 "[ . 1 . 2]" 1
462 1 86 THR HB 1 88 GLU H . . 3.880 2.770 2.453 4.149 0.269 12 0 "[ . 1 . 2]" 1
463 1 86 THR HB 1 89 ASN H . . 3.680 3.693 3.521 4.335 0.655 12 1 "[ . 1 + . 2]" 1
464 1 45 THR HB 1 46 LEU H . . 3.510 2.540 1.827 3.770 0.260 9 0 "[ . 1 . 2]" 1
465 1 14 THR H 1 14 THR HB . . 2.920 2.480 2.393 2.601 . 0 0 "[ . 1 . 2]" 1
466 1 14 THR HB 1 15 GLU H . . 2.630 2.341 2.249 2.412 . 0 0 "[ . 1 . 2]" 1
467 1 53 THR HB 1 161 VAL QG . . 4.280 2.818 2.022 3.452 . 0 0 "[ . 1 . 2]" 1
468 1 111 VAL HA 1 114 LEU H . . 4.360 3.719 3.598 3.851 . 0 0 "[ . 1 . 2]" 1
469 1 102 PHE HZ 1 111 VAL HA . . 3.410 2.336 2.197 2.529 . 0 0 "[ . 1 . 2]" 1
470 1 111 VAL HA 1 111 VAL MG1 . . 3.520 2.360 2.299 2.398 . 0 0 "[ . 1 . 2]" 1
471 1 101 LEU QD 1 111 VAL HA . . 5.460 5.023 4.745 5.300 . 0 0 "[ . 1 . 2]" 1
472 1 111 VAL HA 1 111 VAL MG2 . . 3.450 2.243 2.205 2.286 . 0 0 "[ . 1 . 2]" 1
473 1 111 VAL HA 1 115 LEU QD . . 5.280 4.131 3.953 4.340 . 0 0 "[ . 1 . 2]" 1
474 1 53 THR H 1 53 THR HB . . 3.520 2.729 2.516 2.985 . 0 0 "[ . 1 . 2]" 1
475 1 53 THR HB 1 54 MET HA . . 4.290 4.100 3.894 4.305 0.015 1 0 "[ . 1 . 2]" 1
476 1 95 THR H 1 95 THR HB . . 3.530 3.618 3.599 3.623 0.093 5 0 "[ . 1 . 2]" 1
477 1 111 VAL HA 1 154 ILE MD . . 4.870 4.878 4.644 4.944 0.074 9 0 "[ . 1 . 2]" 1
478 1 111 VAL HA 1 145 MET ME . . 5.440 4.081 3.701 4.848 . 0 0 "[ . 1 . 2]" 1
479 1 112 VAL HA 1 115 LEU H . . 4.440 3.695 3.638 3.773 . 0 0 "[ . 1 . 2]" 1
480 1 99 THR HA 1 99 THR MG . . 3.360 2.372 2.266 2.436 . 0 0 "[ . 1 . 2]" 1
481 1 98 ALA MB 1 99 THR HA . . 4.910 3.703 3.617 3.758 . 0 0 "[ . 1 . 2]" 1
482 1 141 VAL HA 1 144 PHE H . . 4.810 3.839 3.534 4.167 . 0 0 "[ . 1 . 2]" 1
483 1 142 VAL HA 1 145 MET HB3 . . 4.480 3.081 2.135 3.762 . 0 0 "[ . 1 . 2]" 1
484 1 14 THR MG 1 142 VAL HA . . 3.960 2.865 1.926 3.360 . 0 0 "[ . 1 . 2]" 1
485 1 141 VAL QG 1 142 VAL HA . . 3.480 3.371 3.180 3.484 0.004 8 0 "[ . 1 . 2]" 1
486 1 142 VAL HA 1 145 MET H . . 4.280 3.624 3.280 3.861 . 0 0 "[ . 1 . 2]" 1
487 1 14 THR HB 1 142 VAL HA . . 4.000 3.820 3.098 4.053 0.053 10 0 "[ . 1 . 2]" 1
488 1 142 VAL HA 1 142 VAL QG . . 2.840 2.163 2.061 2.338 . 0 0 "[ . 1 . 2]" 1
489 1 17 VAL MG1 1 57 VAL HA . . 5.140 4.655 4.366 5.020 . 0 0 "[ . 1 . 2]" 1
490 1 18 PHE HZ 1 138 THR HA . . 5.340 4.889 4.146 5.349 0.009 10 0 "[ . 1 . 2]" 1
491 1 52 SER HA 1 53 THR HA . . 4.210 4.300 4.293 4.307 0.097 16 0 "[ . 1 . 2]" 1
492 1 53 THR HA 1 56 GLN H . . 4.040 3.344 3.064 3.699 . 0 0 "[ . 1 . 2]" 1
493 1 53 THR HA 1 53 THR MG . . 3.200 2.254 2.072 2.416 . 0 0 "[ . 1 . 2]" 1
494 1 14 THR HA 1 160 TRP HE1 . . 3.680 2.879 2.686 3.201 . 0 0 "[ . 1 . 2]" 1
495 1 14 THR HA 1 18 PHE H . . 3.850 3.902 3.815 3.970 0.120 19 0 "[ . 1 . 2]" 1
496 1 14 THR HA 1 17 VAL H . . 3.840 3.790 3.716 3.843 0.003 2 0 "[ . 1 . 2]" 1
497 1 14 THR HA 1 160 TRP HZ2 . . 3.920 2.829 2.643 2.951 . 0 0 "[ . 1 . 2]" 1
498 1 14 THR HA 1 17 VAL HB . . 3.160 2.931 2.630 3.014 . 0 0 "[ . 1 . 2]" 1
499 1 14 THR HA 1 17 VAL MG2 . . 3.670 3.700 3.555 3.789 0.119 12 0 "[ . 1 . 2]" 1
500 1 141 VAL HA 1 145 MET H . . 4.880 3.966 3.671 4.250 . 0 0 "[ . 1 . 2]" 1
501 1 54 MET HA 1 57 VAL HA . . 5.500 5.182 4.736 5.513 0.013 5 0 "[ . 1 . 2]" 1
502 1 17 VAL MG2 1 57 VAL HA . . 5.330 4.848 4.578 5.173 . 0 0 "[ . 1 . 2]" 1
503 1 18 PHE QD 1 138 THR HA . . 4.370 3.766 2.894 4.383 0.013 11 0 "[ . 1 . 2]" 1
504 1 138 THR HA 1 141 VAL HB . . 3.790 3.201 2.783 4.463 0.673 10 1 "[ . + . 2]" 1
505 1 18 PHE QE 1 138 THR HA . . 4.410 3.808 3.133 4.418 0.008 10 0 "[ . 1 . 2]" 1
506 1 138 THR HA 1 141 VAL QG . . 4.450 2.705 1.792 3.268 . 0 0 "[ . 1 . 2]" 1
507 1 17 VAL HA 1 58 GLY H . . 4.000 3.910 3.549 4.050 0.050 16 0 "[ . 1 . 2]" 1
508 1 17 VAL HA 1 57 VAL MG1 . . 5.270 4.511 4.146 4.896 . 0 0 "[ . 1 . 2]" 1
509 1 17 VAL HA 1 54 MET HB3 . . 4.380 3.600 2.976 4.298 . 0 0 "[ . 1 . 2]" 1
510 1 10 VAL HA 1 159 GLY HA2 . . 4.930 4.957 4.779 5.007 0.077 14 0 "[ . 1 . 2]" 1
511 1 10 VAL HA 1 160 TRP HE1 . . 4.210 3.571 3.310 3.731 . 0 0 "[ . 1 . 2]" 1
512 1 10 VAL HA 1 160 TRP HD1 . . 3.680 2.922 2.738 3.172 . 0 0 "[ . 1 . 2]" 1
513 1 9 GLN HE21 1 10 VAL HA . . 4.970 2.875 2.339 4.102 . 0 0 "[ . 1 . 2]" 1
514 1 10 VAL HA 1 10 VAL MG2 . . 3.270 2.370 2.199 2.418 . 0 0 "[ . 1 . 2]" 1
515 1 10 VAL HA 1 10 VAL MG1 . . 3.500 2.379 2.328 2.444 . 0 0 "[ . 1 . 2]" 1
516 1 10 VAL HA 1 12 GLN H . . 4.730 4.687 4.635 4.789 0.059 6 0 "[ . 1 . 2]" 1
517 1 7 GLU HA 1 10 VAL HA . . 4.920 4.855 4.745 5.062 0.142 4 0 "[ . 1 . 2]" 1
518 1 53 THR HA 1 54 MET H . . 3.900 3.484 3.401 3.540 . 0 0 "[ . 1 . 2]" 1
519 1 78 THR HA 1 81 GLN HB3 . . 3.640 4.462 4.221 4.646 1.006 11 20 [***-******+*********] 1
520 1 78 THR HA 1 78 THR MG . . 3.390 2.349 2.255 2.413 . 0 0 "[ . 1 . 2]" 1
521 1 138 THR HA 1 141 VAL H . . 5.180 3.643 3.522 3.793 . 0 0 "[ . 1 . 2]" 1
522 1 137 VAL HA 1 140 PHE H . . 4.220 3.564 3.436 3.635 . 0 0 "[ . 1 . 2]" 1
523 1 136 GLN HA 1 137 VAL HA . . 5.120 4.816 4.765 4.842 . 0 0 "[ . 1 . 2]" 1
524 1 137 VAL HA 1 140 PHE QD . . 4.050 2.252 1.980 3.386 . 0 0 "[ . 1 . 2]" 1
525 1 125 VAL HA 1 126 TYR HA . . 5.000 4.787 4.707 4.844 . 0 0 "[ . 1 . 2]" 1
526 1 21 TYR QD 1 22 VAL HA . . 3.680 3.069 2.819 3.421 . 0 0 "[ . 1 . 2]" 1
527 1 22 VAL HA 1 25 ARG H . . 4.320 3.559 3.482 3.694 . 0 0 "[ . 1 . 2]" 1
528 1 97 ILE HA 1 100 SER H . . 4.630 3.756 3.693 3.847 . 0 0 "[ . 1 . 2]" 1
529 1 97 ILE HA 1 97 ILE HG13 . . 3.700 3.729 3.685 3.750 0.050 10 0 "[ . 1 . 2]" 1
530 1 97 ILE HA 1 97 ILE MD . . 3.600 2.035 1.950 2.146 . 0 0 "[ . 1 . 2]" 1
531 1 153 TRP HA 1 154 ILE HA . . 4.830 4.813 4.805 4.821 . 0 0 "[ . 1 . 2]" 1
532 1 154 ILE HA 1 157 ARG H . . 3.870 3.397 3.349 3.447 . 0 0 "[ . 1 . 2]" 1
533 1 108 TRP HH2 1 154 ILE HA . . 5.380 4.406 4.234 4.599 . 0 0 "[ . 1 . 2]" 1
534 1 153 TRP HE3 1 154 ILE HA . . 3.740 2.365 2.308 2.420 . 0 0 "[ . 1 . 2]" 1
535 1 154 ILE HA 1 159 GLY HA2 . . 4.630 4.620 4.566 4.655 0.025 1 0 "[ . 1 . 2]" 1
536 1 154 ILE HA 1 157 ARG HG3 . . 4.710 3.109 3.025 3.256 . 0 0 "[ . 1 . 2]" 1
537 1 50 PRO HA 1 50 PRO HB3 . . 2.910 2.297 2.297 2.298 . 0 0 "[ . 1 . 2]" 1
538 1 52 SER HB3 1 55 GLY H . . 4.850 3.749 3.193 4.678 . 0 0 "[ . 1 . 2]" 1
539 1 52 SER HA 1 52 SER HB3 . . 3.130 2.710 2.441 2.908 . 0 0 "[ . 1 . 2]" 1
540 1 49 GLN HG3 1 52 SER HB3 . . 4.520 4.315 3.634 5.471 0.951 4 1 "[ +. 1 . 2]" 1
541 1 6 SER HB3 1 9 GLN H . . 4.260 3.761 3.152 4.425 0.165 17 0 "[ . 1 . 2]" 1
542 1 161 VAL HA 1 162 ALA H . . 3.740 3.302 3.245 3.417 . 0 0 "[ . 1 . 2]" 1
543 1 160 TRP HB3 1 161 VAL HA . . 4.800 4.496 4.425 4.556 . 0 0 "[ . 1 . 2]" 1
544 1 161 VAL HA 1 164 LEU QD . . 3.820 2.913 1.918 3.643 . 0 0 "[ . 1 . 2]" 1
545 1 161 VAL HA 1 163 ALA H . . 4.110 3.661 3.468 3.828 . 0 0 "[ . 1 . 2]" 1
546 1 161 VAL HA 1 164 LEU H . . 4.560 3.980 3.745 4.265 . 0 0 "[ . 1 . 2]" 1
547 1 161 VAL HA 1 161 VAL QG . . 2.850 2.060 2.026 2.078 . 0 0 "[ . 1 . 2]" 1
548 1 48 LEU QD 1 50 PRO HA . . 4.350 3.208 2.572 3.866 . 0 0 "[ . 1 . 2]" 1
549 1 41 PRO HA 1 45 THR MG . . 5.500 4.394 2.106 5.679 0.179 4 0 "[ . 1 . 2]" 1
550 1 63 ILE MG 1 64 ILE HA . . 3.630 3.392 3.301 3.496 . 0 0 "[ . 1 . 2]" 1
551 1 64 ILE HA 1 66 ASP H . . 4.510 3.929 3.850 4.034 . 0 0 "[ . 1 . 2]" 1
552 1 28 GLN HE22 1 63 ILE HA . . 4.780 4.535 3.495 4.789 0.009 19 0 "[ . 1 . 2]" 1
553 1 24 TYR HA 1 27 GLN H . . 3.620 3.520 3.335 3.665 0.045 9 0 "[ . 1 . 2]" 1
554 1 24 TYR HA 1 27 GLN HB3 . . 3.980 2.616 2.187 3.277 . 0 0 "[ . 1 . 2]" 1
555 1 24 TYR HA 1 24 TYR QD . . 3.410 2.328 1.985 2.593 . 0 0 "[ . 1 . 2]" 1
556 1 24 TYR HA 1 24 TYR QE . . 4.170 4.256 4.176 4.306 0.136 17 0 "[ . 1 . 2]" 1
557 1 68 ILE HA 1 72 TYR QD . . 3.940 3.420 3.186 3.626 . 0 0 "[ . 1 . 2]" 1
558 1 3 PRO HA 1 3 PRO HB3 . . 3.130 2.298 2.297 2.298 . 0 0 "[ . 1 . 2]" 1
559 1 44 VAL HA 1 45 THR H . . 3.980 3.485 3.323 3.552 . 0 0 "[ . 1 . 2]" 1
560 1 44 VAL HA 1 44 VAL MG1 . . 3.140 2.263 2.202 2.385 . 0 0 "[ . 1 . 2]" 1
561 1 23 PHE QD 1 24 TYR HA . . 4.840 3.901 3.244 4.321 . 0 0 "[ . 1 . 2]" 1
562 1 85 PRO HA 1 86 THR H . . 3.020 2.555 2.389 2.658 . 0 0 "[ . 1 . 2]" 1
563 1 85 PRO HA 1 93 TYR QE . . 3.550 2.529 2.028 3.093 . 0 0 "[ . 1 . 2]" 1
564 1 85 PRO HA 1 86 THR MG . . 4.530 3.436 3.280 3.898 . 0 0 "[ . 1 . 2]" 1
565 1 47 PRO HA 1 48 LEU H . . 2.560 2.377 2.317 2.486 . 0 0 "[ . 1 . 2]" 1
566 1 38 PRO HA 1 38 PRO HB3 . . 2.660 2.298 2.297 2.299 . 0 0 "[ . 1 . 2]" 1
567 1 38 PRO HA 1 39 ALA H . . 2.540 2.398 2.240 2.649 0.109 1 0 "[ . 1 . 2]" 1
568 1 144 PHE HA 1 144 PHE QD . . 3.950 3.177 2.873 3.595 . 0 0 "[ . 1 . 2]" 1
569 1 35 VAL HA 1 36 ALA H . . 2.630 2.273 2.150 2.717 0.087 19 0 "[ . 1 . 2]" 1
570 1 35 VAL HA 1 35 VAL HB . . 2.790 2.486 2.406 2.547 . 0 0 "[ . 1 . 2]" 1
571 1 35 VAL HA 1 36 ALA MB . . 4.250 4.111 3.973 4.194 . 0 0 "[ . 1 . 2]" 1
572 1 35 VAL HA 1 35 VAL QG . . 2.890 2.237 2.105 2.358 . 0 0 "[ . 1 . 2]" 1
573 1 94 PHE HA 1 97 ILE H . . 3.670 3.359 3.265 3.440 . 0 0 "[ . 1 . 2]" 1
574 1 51 SER H 1 51 SER HB3 . . 3.830 2.772 2.118 3.505 . 0 0 "[ . 1 . 2]" 1
575 1 150 ILE HA 1 153 TRP HB3 . . 4.520 2.753 2.351 2.912 . 0 0 "[ . 1 . 2]" 1
576 1 150 ILE HA 1 154 ILE H . . 4.810 4.163 3.751 4.412 . 0 0 "[ . 1 . 2]" 1
577 1 106 ILE MG 1 150 ILE HA . . 4.670 3.081 2.541 3.568 . 0 0 "[ . 1 . 2]" 1
578 1 126 TYR HA 1 130 LEU H . . 3.970 3.681 3.011 4.375 0.405 5 0 "[ . 1 . 2]" 1
579 1 17 VAL H 1 18 PHE HA . . 5.270 5.249 5.225 5.312 0.042 18 0 "[ . 1 . 2]" 1
580 1 18 PHE HA 1 21 TYR QD . . 4.130 3.719 3.453 3.901 . 0 0 "[ . 1 . 2]" 1
581 1 17 VAL MG1 1 18 PHE HA . . 4.510 3.382 3.201 3.511 . 0 0 "[ . 1 . 2]" 1
582 1 119 TYR HA 1 119 TYR QD . . 3.760 2.673 1.975 3.144 . 0 0 "[ . 1 . 2]" 1
583 1 119 TYR HA 1 122 ALA MB . . 4.220 2.637 2.383 3.208 . 0 0 "[ . 1 . 2]" 1
584 1 100 SER HA 1 103 GLU H . . 4.220 3.760 3.541 4.253 0.033 19 0 "[ . 1 . 2]" 1
585 1 99 THR MG 1 100 SER HA . . 4.530 3.484 3.238 3.706 . 0 0 "[ . 1 . 2]" 1
586 1 23 PHE HA 1 23 PHE QD . . 3.760 2.543 2.211 2.963 . 0 0 "[ . 1 . 2]" 1
587 1 21 TYR HA 1 62 ALA MB . . 3.900 3.519 3.194 3.891 . 0 0 "[ . 1 . 2]" 1
588 1 94 PHE HA 1 97 ILE HG13 . . 4.350 3.153 2.884 3.286 . 0 0 "[ . 1 . 2]" 1
589 1 153 TRP HA 1 156 GLN H . . 4.170 3.471 3.441 3.501 . 0 0 "[ . 1 . 2]" 1
590 1 153 TRP HA 1 155 ALA MB . . 5.180 5.069 4.950 5.196 0.016 4 0 "[ . 1 . 2]" 1
591 1 106 ILE HA 1 150 ILE MD . . 5.500 4.256 3.666 4.800 . 0 0 "[ . 1 . 2]" 1
592 1 105 GLY H 1 106 ILE HA . . 4.770 4.693 4.540 4.791 0.021 17 0 "[ . 1 . 2]" 1
593 1 150 ILE HA 1 153 TRP H . . 4.230 3.521 3.444 3.674 . 0 0 "[ . 1 . 2]" 1
594 1 154 ILE MD 1 160 TRP HA . . 4.480 4.445 4.291 4.576 0.096 10 0 "[ . 1 . 2]" 1
595 1 160 TRP HA 1 160 TRP HE3 . . 3.510 3.064 2.897 3.279 . 0 0 "[ . 1 . 2]" 1
596 1 108 TRP HA 1 108 TRP HE3 . . 3.350 2.281 2.157 2.400 . 0 0 "[ . 1 . 2]" 1
597 1 108 TRP HA 1 111 VAL HB . . 3.770 2.932 2.771 3.112 . 0 0 "[ . 1 . 2]" 1
598 1 149 CYS HA 1 152 ARG H . . 4.420 3.689 3.483 3.916 . 0 0 "[ . 1 . 2]" 1
599 1 18 PHE HA 1 21 TYR H . . 4.240 3.605 3.523 3.741 . 0 0 "[ . 1 . 2]" 1
600 1 18 PHE HA 1 115 LEU QD . . 4.490 2.162 1.883 2.419 . 0 0 "[ . 1 . 2]" 1
601 1 20 SER HA 1 48 LEU QD . . 3.550 2.208 1.883 2.612 . 0 0 "[ . 1 . 2]" 1
602 1 119 TYR HA 1 122 ALA H . . 4.620 3.572 3.424 3.741 . 0 0 "[ . 1 . 2]" 1
603 1 102 PHE QD 1 106 ILE HA . . 3.850 2.419 2.252 2.594 . 0 0 "[ . 1 . 2]" 1
604 1 102 PHE QE 1 106 ILE HA . . 4.290 3.777 3.500 4.028 . 0 0 "[ . 1 . 2]" 1
605 1 45 THR HA 1 45 THR MG . . 3.100 2.267 1.960 3.180 0.080 1 0 "[ . 1 . 2]" 1
606 1 76 PHE HA 1 80 LEU QD . . 4.990 3.665 3.283 4.301 . 0 0 "[ . 1 . 2]" 1
607 1 76 PHE HA 1 79 MET ME . . 4.700 3.814 2.282 4.724 0.024 4 0 "[ . 1 . 2]" 1
608 1 20 SER HA 1 23 PHE H . . 4.550 3.580 3.468 3.651 . 0 0 "[ . 1 . 2]" 1
609 1 20 SER HA 1 46 LEU QD . . 4.390 3.035 2.506 3.830 . 0 0 "[ . 1 . 2]" 1
610 1 96 LYS HA 1 100 SER H . . 4.530 4.025 3.879 4.166 . 0 0 "[ . 1 . 2]" 1
611 1 14 THR MG 1 15 GLU HA . . 5.220 3.255 3.071 3.551 . 0 0 "[ . 1 . 2]" 1
612 1 15 GLU HA 1 141 VAL QG . . 5.260 4.545 3.584 4.935 . 0 0 "[ . 1 . 2]" 1
613 1 15 GLU HA 1 18 PHE H . . 4.330 3.612 3.559 3.746 . 0 0 "[ . 1 . 2]" 1
614 1 15 GLU HA 1 19 ARG H . . 4.430 4.059 3.920 4.208 . 0 0 "[ . 1 . 2]" 1
615 1 15 GLU HA 1 18 PHE QD . . 4.770 3.956 3.346 4.451 . 0 0 "[ . 1 . 2]" 1
616 1 15 GLU HA 1 142 VAL QG . . 3.750 3.122 2.615 3.626 . 0 0 "[ . 1 . 2]" 1
617 1 14 THR HB 1 15 GLU HA . . 4.850 4.284 4.156 4.371 . 0 0 "[ . 1 . 2]" 1
618 1 91 TYR HA 1 140 PHE QE . . 4.640 4.510 3.813 4.691 0.051 5 0 "[ . 1 . 2]" 1
619 1 91 TYR HA 1 94 PHE QD . . 5.060 3.075 2.866 3.479 . 0 0 "[ . 1 . 2]" 1
620 1 91 TYR HA 1 91 TYR QD . . 3.960 3.741 3.740 3.742 . 0 0 "[ . 1 . 2]" 1
621 1 91 TYR HA 1 95 THR H . . 4.660 3.196 2.952 3.393 . 0 0 "[ . 1 . 2]" 1
622 1 78 THR HB 1 79 MET HA . . 4.230 4.257 4.124 4.316 0.086 14 0 "[ . 1 . 2]" 1
623 1 96 LYS HA 1 97 ILE HA . . 4.850 4.826 4.810 4.839 . 0 0 "[ . 1 . 2]" 1
624 1 8 GLU HA 1 146 LEU QD . . 3.800 3.329 2.738 3.807 0.007 3 0 "[ . 1 . 2]" 1
625 1 110 ARG HA 1 113 ALA H . . 4.350 3.522 3.375 3.700 . 0 0 "[ . 1 . 2]" 1
626 1 101 LEU QD 1 110 ARG HA . . 4.510 3.272 3.015 3.520 . 0 0 "[ . 1 . 2]" 1
627 1 19 ARG HA 1 46 LEU QD . . 3.880 3.190 2.300 3.628 . 0 0 "[ . 1 . 2]" 1
628 1 91 TYR HA 1 94 PHE H . . 4.550 3.405 3.324 3.491 . 0 0 "[ . 1 . 2]" 1
629 1 26 HIS HA 1 29 GLU H . . 4.510 3.276 3.040 3.601 . 0 0 "[ . 1 . 2]" 1
630 1 26 HIS HA 1 29 GLU HG3 . . 4.960 3.129 2.019 5.437 0.477 11 0 "[ . 1 . 2]" 1
631 1 103 GLU HA 1 103 GLU HB3 . . 2.960 2.891 2.873 2.915 . 0 0 "[ . 1 . 2]" 1
632 1 8 GLU HA 1 11 ALA H . . 3.910 3.920 3.701 4.028 0.118 2 0 "[ . 1 . 2]" 1
633 1 8 GLU HA 1 11 ALA MB . . 3.800 3.355 3.017 3.612 . 0 0 "[ . 1 . 2]" 1
634 1 18 PHE QD 1 19 ARG HA . . 4.430 3.037 2.543 3.720 . 0 0 "[ . 1 . 2]" 1
635 1 19 ARG HA 1 22 VAL QG . . 4.090 2.271 2.133 2.441 . 0 0 "[ . 1 . 2]" 1
636 1 152 ARG HA 1 155 ALA MB . . 3.180 2.695 2.559 2.854 . 0 0 "[ . 1 . 2]" 1
637 1 7 GLU HA 1 10 VAL MG1 . . 3.870 3.466 3.397 3.748 . 0 0 "[ . 1 . 2]" 1
638 1 6 SER HA 1 7 GLU HA . . 4.910 4.294 4.290 4.306 . 0 0 "[ . 1 . 2]" 1
639 1 24 TYR QD 1 59 ARG HA . . 3.890 2.309 1.970 3.171 . 0 0 "[ . 1 . 2]" 1
640 1 24 TYR QE 1 59 ARG HA . . 5.380 3.959 3.637 4.239 . 0 0 "[ . 1 . 2]" 1
641 1 24 TYR HB3 1 59 ARG HA . . 3.710 3.107 2.885 3.408 . 0 0 "[ . 1 . 2]" 1
642 1 59 ARG HA 1 62 ALA MB . . 3.930 2.901 2.783 3.101 . 0 0 "[ . 1 . 2]" 1
643 1 86 THR HA 1 125 VAL QG . . 4.020 2.607 1.882 3.609 . 0 0 "[ . 1 . 2]" 1
644 1 12 GLN HA 1 13 ASP H . . 3.720 3.549 3.538 3.555 . 0 0 "[ . 1 . 2]" 1
645 1 12 GLN HA 1 13 ASP HA . . 5.100 4.772 4.766 4.781 . 0 0 "[ . 1 . 2]" 1
646 1 75 GLU HA 1 77 GLN H . . 4.370 4.329 3.839 4.497 0.127 5 0 "[ . 1 . 2]" 1
647 1 139 ARG HA 1 140 PHE H . . 3.700 3.535 3.490 3.559 . 0 0 "[ . 1 . 2]" 1
648 1 139 ARG HA 1 143 ASP H . . 4.350 3.865 3.473 4.017 . 0 0 "[ . 1 . 2]" 1
649 1 92 GLU HA 1 95 THR MG . . 4.580 3.673 3.451 3.837 . 0 0 "[ . 1 . 2]" 1
650 1 120 ARG HA 1 123 LEU QD . . 4.180 3.404 2.892 4.066 . 0 0 "[ . 1 . 2]" 1
651 1 120 ARG HA 1 120 ARG HD3 . . 4.910 3.419 2.600 4.236 . 0 0 "[ . 1 . 2]" 1
652 1 119 TYR QD 1 120 ARG HA . . 4.590 3.828 2.699 4.605 0.015 16 0 "[ . 1 . 2]" 1
653 1 102 PHE HA 1 102 PHE QD . . 3.730 2.860 2.702 3.068 . 0 0 "[ . 1 . 2]" 1
654 1 86 THR HA 1 88 GLU H . . 4.560 4.320 4.118 4.586 0.026 7 0 "[ . 1 . 2]" 1
655 1 86 THR HA 1 86 THR MG . . 3.370 2.337 2.177 3.194 . 0 0 "[ . 1 . 2]" 1
656 1 93 TYR HA 1 97 ILE MD . . 3.870 3.752 3.591 3.880 0.010 8 0 "[ . 1 . 2]" 1
657 1 93 TYR HA 1 93 TYR QD . . 3.310 2.290 2.104 2.627 . 0 0 "[ . 1 . 2]" 1
658 1 4 SER HA 1 5 ALA H . . 2.530 2.403 2.215 2.541 0.011 16 0 "[ . 1 . 2]" 1
659 1 3 PRO HB3 1 4 SER HA . . 4.700 5.602 5.400 5.788 1.088 3 20 [**+**********-******] 1
660 1 81 GLN HA 1 81 GLN QE . . 4.360 3.558 2.002 4.233 . 0 0 "[ . 1 . 2]" 1
661 1 60 GLN HA 1 60 GLN HE21 . . 3.710 2.934 2.014 3.659 . 0 0 "[ . 1 . 2]" 1
662 1 59 ARG HG3 1 60 GLN HA . . 4.570 5.038 4.660 5.532 0.962 19 5 "[ *.* -*1 . +2]" 1
663 1 115 LEU HA 1 116 GLY H . . 3.980 3.547 3.543 3.552 . 0 0 "[ . 1 . 2]" 1
664 1 115 LEU HA 1 115 LEU QD . . 2.940 2.066 1.971 2.157 . 0 0 "[ . 1 . 2]" 1
665 1 16 GLU HA 1 19 ARG H . . 3.850 3.746 3.562 3.853 0.003 5 0 "[ . 1 . 2]" 1
666 1 121 LEU HA 1 121 LEU QD . . 3.520 2.709 1.977 3.204 . 0 0 "[ . 1 . 2]" 1
667 1 133 PHE H 1 134 LEU HA . . 4.600 4.530 4.272 4.748 0.148 12 0 "[ . 1 . 2]" 1
668 1 134 LEU HA 1 137 VAL QG . . 3.140 3.084 2.545 3.192 0.052 2 0 "[ . 1 . 2]" 1
669 1 139 ARG HA 1 142 VAL QG . . 3.890 2.894 1.784 3.497 . 0 0 "[ . 1 . 2]" 1
670 1 138 THR MG 1 139 ARG HA . . 5.430 4.077 3.378 5.186 . 0 0 "[ . 1 . 2]" 1
671 1 66 ASP HA 1 67 ASP H . . 3.980 3.558 3.551 3.566 . 0 0 "[ . 1 . 2]" 1
672 1 51 SER HA 1 52 SER H . . 3.350 3.194 3.096 3.378 0.028 7 0 "[ . 1 . 2]" 1
673 1 51 SER HA 1 51 SER HB3 . . 2.800 2.761 2.241 2.940 0.140 14 0 "[ . 1 . 2]" 1
674 1 123 LEU HA 1 123 LEU QD . . 3.160 2.653 1.920 3.103 . 0 0 "[ . 1 . 2]" 1
675 1 123 LEU HA 1 125 VAL H . . 4.850 3.812 3.561 4.527 . 0 0 "[ . 1 . 2]" 1
676 1 16 GLU HA 1 18 PHE H . . 4.400 4.311 4.176 4.394 . 0 0 "[ . 1 . 2]" 1
677 1 156 GLN HA 1 157 ARG H . . 3.930 3.515 3.505 3.522 . 0 0 "[ . 1 . 2]" 1
678 1 134 LEU HA 1 137 VAL H . . 4.100 3.777 3.554 3.886 . 0 0 "[ . 1 . 2]" 1
679 1 127 GLN HA 1 127 GLN HE21 . . 4.260 3.408 2.532 4.397 0.137 6 0 "[ . 1 . 2]" 1
680 1 127 GLN HA 1 127 GLN HG3 . . 3.500 3.490 3.174 3.640 0.140 18 0 "[ . 1 . 2]" 1
681 1 101 LEU HA 1 101 LEU QD . . 3.410 2.011 1.927 2.179 . 0 0 "[ . 1 . 2]" 1
682 1 80 LEU HA 1 81 GLN H . . 3.510 3.519 3.480 3.538 0.028 14 0 "[ . 1 . 2]" 1
683 1 104 SER HA 1 104 SER HB3 . . 3.140 2.619 2.250 2.968 . 0 0 "[ . 1 . 2]" 1
684 1 6 SER HA 1 7 GLU H . . 2.910 2.411 2.238 2.494 . 0 0 "[ . 1 . 2]" 1
685 1 6 SER HA 1 6 SER HB3 . . 3.000 2.736 2.442 2.939 . 0 0 "[ . 1 . 2]" 1
686 1 6 SER HA 1 155 ALA MB . . 3.830 3.028 2.472 3.437 . 0 0 "[ . 1 . 2]" 1
687 1 146 LEU QD 1 147 HIS HA . . 5.170 4.866 3.987 5.314 0.144 10 0 "[ . 1 . 2]" 1
688 1 143 ASP HA 1 146 LEU QD . . 4.330 3.977 3.086 4.368 0.038 6 0 "[ . 1 . 2]" 1
689 1 142 VAL QG 1 143 ASP HA . . 3.860 3.375 2.955 3.802 . 0 0 "[ . 1 . 2]" 1
690 1 67 ASP HA 1 70 ARG HG3 . . 5.020 2.922 2.205 3.510 . 0 0 "[ . 1 . 2]" 1
691 1 67 ASP HA 1 70 ARG HE . . 4.300 3.048 2.306 4.307 0.007 16 0 "[ . 1 . 2]" 1
692 1 61 LEU HA 1 64 ILE MG . . 4.660 3.849 3.717 4.016 . 0 0 "[ . 1 . 2]" 1
693 1 61 LEU HA 1 64 ILE MD . . 3.110 2.135 1.961 2.328 . 0 0 "[ . 1 . 2]" 1
694 1 123 LEU HA 1 123 LEU HG . . 3.490 2.755 2.294 3.672 0.182 3 0 "[ . 1 . 2]" 1
695 1 90 ALA HA 1 94 PHE H . . 4.160 4.016 3.887 4.161 0.001 17 0 "[ . 1 . 2]" 1
696 1 90 ALA HA 1 93 TYR H . . 4.030 3.876 3.682 3.979 . 0 0 "[ . 1 . 2]" 1
697 1 30 GLN HA 1 30 GLN QE . . 3.880 2.847 2.055 3.889 0.009 3 0 "[ . 1 . 2]" 1
698 1 82 HIS HA 1 83 LEU H . . 3.580 3.520 3.335 3.569 . 0 0 "[ . 1 . 2]" 1
699 1 140 PHE HA 1 140 PHE QD . . 3.300 1.986 1.947 2.063 . 0 0 "[ . 1 . 2]" 1
700 1 140 PHE HA 1 140 PHE QE . . 4.380 4.261 4.122 4.392 0.012 4 0 "[ . 1 . 2]" 1
701 1 17 VAL MG1 1 54 MET HA . . 4.690 4.479 4.045 4.697 0.007 2 0 "[ . 1 . 2]" 1
702 1 32 ALA MB 1 33 GLU HA . . 4.140 4.091 3.923 4.215 0.075 8 0 "[ . 1 . 2]" 1
703 1 33 GLU HA 1 34 GLY H . . 2.700 2.660 2.598 2.796 0.096 3 0 "[ . 1 . 2]" 1
704 1 33 GLU HA 1 35 VAL H . . 5.500 4.520 3.139 5.138 . 0 0 "[ . 1 . 2]" 1
705 1 33 GLU HA 1 35 VAL QG . . 4.360 4.245 2.996 4.413 0.053 8 0 "[ . 1 . 2]" 1
706 1 11 ALA HA 1 14 THR H . . 3.950 3.518 3.431 3.604 . 0 0 "[ . 1 . 2]" 1
707 1 11 ALA HA 1 146 LEU QD . . 4.090 2.768 2.031 3.590 . 0 0 "[ . 1 . 2]" 1
708 1 164 LEU HA 1 166 LEU H . . 4.220 3.663 3.441 4.230 0.010 10 0 "[ . 1 . 2]" 1
709 1 164 LEU HA 1 164 LEU QD . . 3.680 3.249 2.999 3.412 . 0 0 "[ . 1 . 2]" 1
710 1 164 LEU HA 1 165 ASN HA . . 4.520 4.594 4.547 4.638 0.118 13 0 "[ . 1 . 2]" 1
711 1 128 HIS HA 1 129 GLY HA2 . . 5.130 4.885 4.655 5.132 0.002 12 0 "[ . 1 . 2]" 1
712 1 11 ALA HA 1 14 THR HB . . 4.270 2.733 2.597 2.920 . 0 0 "[ . 1 . 2]" 1
713 1 155 ALA HA 1 157 ARG H . . 4.460 4.339 4.277 4.388 . 0 0 "[ . 1 . 2]" 1
714 1 155 ALA HA 1 159 GLY HA3 . . 3.600 3.451 3.043 3.612 0.012 11 0 "[ . 1 . 2]" 1
715 1 10 VAL MG2 1 155 ALA HA . . 3.530 3.108 2.880 3.235 . 0 0 "[ . 1 . 2]" 1
716 1 155 ALA HA 1 158 GLY H . . 3.980 3.612 3.540 3.656 . 0 0 "[ . 1 . 2]" 1
717 1 155 ALA HA 1 159 GLY HA2 . . 3.700 2.526 2.242 2.655 . 0 0 "[ . 1 . 2]" 1
718 1 154 ILE HB 1 155 ALA HA . . 4.890 4.402 4.352 4.478 . 0 0 "[ . 1 . 2]" 1
719 1 166 LEU HA 1 166 LEU MD2 . . 3.400 2.075 1.937 2.414 . 0 0 "[ . 1 . 2]" 1
720 1 166 LEU HA 1 166 LEU MD1 . . 4.250 3.837 3.760 3.938 . 0 0 "[ . 1 . 2]" 1
721 1 113 ALA HA 1 115 LEU H . . 4.670 4.488 4.381 4.584 . 0 0 "[ . 1 . 2]" 1
722 1 101 LEU QD 1 113 ALA HA . . 5.150 4.833 4.530 5.031 . 0 0 "[ . 1 . 2]" 1
723 1 122 ALA HA 1 133 PHE QE . . 4.230 2.885 1.977 4.235 0.005 4 0 "[ . 1 . 2]" 1
724 1 122 ALA HA 1 137 VAL QG . . 3.570 3.192 2.309 3.618 0.048 10 0 "[ . 1 . 2]" 1
725 1 122 ALA HA 1 125 VAL H . . 4.860 3.785 3.391 3.956 . 0 0 "[ . 1 . 2]" 1
726 1 21 TYR QE 1 62 ALA HA . . 3.620 2.110 1.991 2.410 . 0 0 "[ . 1 . 2]" 1
727 1 151 ALA HA 1 155 ALA H . . 4.740 4.250 4.089 4.342 . 0 0 "[ . 1 . 2]" 1
728 1 151 ALA HA 1 153 TRP H . . 4.460 4.476 4.430 4.498 0.038 18 0 "[ . 1 . 2]" 1
729 1 10 VAL MG1 1 151 ALA HA . . 3.380 1.930 1.872 2.010 . 0 0 "[ . 1 . 2]" 1
730 1 10 VAL HB 1 151 ALA HA . . 4.040 3.605 2.986 4.066 0.026 20 0 "[ . 1 . 2]" 1
731 1 87 ALA HA 1 130 LEU QD . . 4.300 3.384 3.067 3.781 . 0 0 "[ . 1 . 2]" 1
732 1 98 ALA HA 1 102 PHE QE . . 4.040 3.201 2.961 3.404 . 0 0 "[ . 1 . 2]" 1
733 1 98 ALA HA 1 114 LEU QD . . 4.320 3.113 2.512 3.851 . 0 0 "[ . 1 . 2]" 1
734 1 98 ALA HA 1 101 LEU QD . . 4.270 3.377 3.049 3.726 . 0 0 "[ . 1 . 2]" 1
735 1 98 ALA HA 1 101 LEU HG . . 5.050 4.815 4.502 5.076 0.026 7 0 "[ . 1 . 2]" 1
736 1 48 LEU HA 1 48 LEU HB3 . . 3.110 2.788 2.263 3.017 . 0 0 "[ . 1 . 2]" 1
737 1 48 LEU HA 1 49 GLN H . . 2.990 2.369 2.233 2.471 . 0 0 "[ . 1 . 2]" 1
738 1 48 LEU HA 1 48 LEU QD . . 3.290 2.916 1.904 3.436 0.146 8 0 "[ . 1 . 2]" 1
739 1 21 TYR QD 1 62 ALA HA . . 4.290 3.481 3.028 3.826 . 0 0 "[ . 1 . 2]" 1
740 1 87 ALA HA 1 133 PHE QE . . 3.650 2.368 1.964 3.016 . 0 0 "[ . 1 . 2]" 1
741 1 87 ALA HA 1 133 PHE HZ . . 3.860 2.514 2.142 2.946 . 0 0 "[ . 1 . 2]" 1
742 1 162 ALA HA 1 165 ASN HB3 . . 4.260 4.545 2.983 5.936 1.676 3 7 "[ +*.* 1 * . **-2]" 1
743 1 162 ALA HA 1 164 LEU H . . 4.320 3.916 3.649 4.344 0.024 14 0 "[ . 1 . 2]" 1
744 1 2 LEU HA 1 3 PRO HD3 . . 2.790 2.335 2.322 2.354 . 0 0 "[ . 1 . 2]" 1
745 1 2 LEU HA 1 2 LEU QD . . 3.020 2.122 1.892 3.036 0.016 10 0 "[ . 1 . 2]" 1
746 1 49 GLN HA 1 49 GLN HE22 . . 4.090 3.690 3.231 4.033 . 0 0 "[ . 1 . 2]" 1
747 1 163 ALA HA 1 166 LEU H . . 4.520 3.898 2.781 4.495 . 0 0 "[ . 1 . 2]" 1
748 1 89 ASN HA 1 92 GLU H . . 3.900 3.008 2.950 3.060 . 0 0 "[ . 1 . 2]" 1
749 1 88 GLU HA 1 89 ASN HA . . 4.750 4.576 4.537 4.597 . 0 0 "[ . 1 . 2]" 1
750 1 36 ALA HA 1 37 ALA H . . 2.820 2.790 2.674 2.912 0.092 5 0 "[ . 1 . 2]" 1
751 1 1 ALA HA 1 1 ALA MB . . 2.490 2.124 2.110 2.128 . 0 0 "[ . 1 . 2]" 1
752 1 5 ALA HA 1 6 SER HB3 . . 4.280 5.283 4.239 5.567 1.287 6 17 "[****.+******* *- ***]" 1
753 1 107 ASN HA 1 153 TRP HZ2 . . 3.590 2.018 1.965 2.077 . 0 0 "[ . 1 . 2]" 1
754 1 107 ASN HA 1 108 TRP H . . 3.590 2.340 2.303 2.387 . 0 0 "[ . 1 . 2]" 1
755 1 50 PRO HD3 1 51 SER H . . 4.680 3.943 3.915 3.953 . 0 0 "[ . 1 . 2]" 1
756 1 49 GLN HE21 1 50 PRO HD3 . . 4.980 4.619 4.021 4.983 0.003 1 0 "[ . 1 . 2]" 1
757 1 49 GLN HA 1 50 PRO HD3 . . 3.460 2.884 2.732 2.995 . 0 0 "[ . 1 . 2]" 1
758 1 46 LEU H 1 47 PRO HD3 . . 5.420 3.939 3.541 5.016 . 0 0 "[ . 1 . 2]" 1
759 1 37 ALA HA 1 38 PRO HD3 . . 2.840 2.348 2.340 2.361 . 0 0 "[ . 1 . 2]" 1
760 1 2 LEU H 1 3 PRO HD3 . . 4.940 5.081 5.048 5.087 0.147 5 0 "[ . 1 . 2]" 1
761 1 38 PRO HB3 1 38 PRO HD3 . . 3.410 2.979 2.978 2.980 . 0 0 "[ . 1 . 2]" 1
762 1 47 PRO HD3 1 48 LEU H . . 4.980 5.180 5.046 5.255 0.275 2 0 "[ . 1 . 2]" 1
763 1 46 LEU HA 1 47 PRO HD3 . . 3.160 2.636 2.253 2.759 . 0 0 "[ . 1 . 2]" 1
764 1 109 GLY HA2 1 113 ALA H . . 4.990 4.176 3.931 4.339 . 0 0 "[ . 1 . 2]" 1
765 1 109 GLY HA2 1 110 ARG H . . 3.910 3.544 3.522 3.562 . 0 0 "[ . 1 . 2]" 1
766 1 21 TYR QD 1 116 GLY QA . . 4.520 4.176 4.010 4.477 . 0 0 "[ . 1 . 2]" 1
767 1 21 TYR QE 1 116 GLY QA . . 3.940 2.077 1.956 2.394 . 0 0 "[ . 1 . 2]" 1
768 1 22 VAL HA 1 116 GLY QA . . 5.120 4.815 4.243 5.178 0.058 20 0 "[ . 1 . 2]" 1
769 1 22 VAL QG 1 116 GLY QA . . 4.850 3.867 3.343 4.611 . 0 0 "[ . 1 . 2]" 1
770 1 58 GLY HA3 1 59 ARG HA . . 5.070 4.352 4.320 4.373 . 0 0 "[ . 1 . 2]" 1
771 1 58 GLY HA3 1 61 LEU HG . . 5.010 5.028 5.009 5.068 0.058 18 0 "[ . 1 . 2]" 1
772 1 21 TYR H 1 58 GLY HA3 . . 4.380 3.477 3.208 3.679 . 0 0 "[ . 1 . 2]" 1
773 1 21 TYR QD 1 58 GLY HA2 . . 4.670 2.669 2.021 3.130 . 0 0 "[ . 1 . 2]" 1
774 1 115 LEU QD 1 116 GLY QA . . 5.460 4.705 4.664 4.733 . 0 0 "[ . 1 . 2]" 1
775 1 18 PHE QE 1 118 GLY HA2 . . 4.570 4.628 4.487 4.774 0.204 12 0 "[ . 1 . 2]" 1
776 1 118 GLY HA2 1 141 VAL QG . . 4.710 4.496 4.245 4.639 . 0 0 "[ . 1 . 2]" 1
777 1 118 GLY HA3 1 122 ALA H . . 5.070 5.105 5.002 5.223 0.153 12 0 "[ . 1 . 2]" 1
778 1 18 PHE HZ 1 118 GLY HA3 . . 4.530 3.606 3.146 3.753 . 0 0 "[ . 1 . 2]" 1
779 1 94 PHE QE 1 118 GLY HA3 . . 4.500 3.894 3.410 4.394 . 0 0 "[ . 1 . 2]" 1
780 1 18 PHE QE 1 118 GLY HA3 . . 4.710 2.956 2.799 3.158 . 0 0 "[ . 1 . 2]" 1
781 1 118 GLY HA3 1 141 VAL QG . . 4.940 3.772 3.314 4.013 . 0 0 "[ . 1 . 2]" 1
782 1 18 PHE HZ 1 118 GLY HA2 . . 4.880 4.891 4.596 4.986 0.106 14 0 "[ . 1 . 2]" 1
783 1 55 GLY QA 1 56 GLN H . . 3.890 2.761 2.561 2.879 . 0 0 "[ . 1 . 2]" 1
784 1 135 GLY QA 1 136 GLN HG3 . . 5.120 5.402 4.658 5.752 0.632 16 12 "[** -* **** .+ ***]" 1
785 1 135 GLY QA 1 138 THR HB . . 4.050 3.200 2.736 3.970 . 0 0 "[ . 1 . 2]" 1
786 1 135 GLY QA 1 138 THR MG . . 4.760 4.151 3.831 4.395 . 0 0 "[ . 1 . 2]" 1
787 1 34 GLY HA3 1 35 VAL QG . . 4.580 4.014 3.187 4.395 . 0 0 "[ . 1 . 2]" 1
788 1 65 GLY HA2 1 68 ILE HG13 . . 4.280 2.911 2.586 3.130 . 0 0 "[ . 1 . 2]" 1
789 1 129 GLY HA2 1 130 LEU H . . 3.810 2.676 2.156 3.554 . 0 0 "[ . 1 . 2]" 1
790 1 34 GLY HA2 1 35 VAL QG . . 4.090 3.943 3.579 4.091 0.001 17 0 "[ . 1 . 2]" 1
791 1 64 ILE MG 1 167 GLY HA2 . . 4.260 2.634 1.987 4.398 0.138 9 0 "[ . 1 . 2]" 1
792 1 64 ILE HG13 1 65 GLY HA3 . . 4.080 3.484 3.375 3.582 . 0 0 "[ . 1 . 2]" 1
793 1 158 GLY HA3 1 159 GLY H . . 3.800 3.516 3.446 3.539 . 0 0 "[ . 1 . 2]" 1
794 1 157 ARG H 1 158 GLY HA2 . . 5.050 4.958 4.916 4.996 . 0 0 "[ . 1 . 2]" 1
795 1 158 GLY HA2 1 162 ALA MB . . 4.030 3.727 3.237 4.050 0.020 20 0 "[ . 1 . 2]" 1
796 1 159 GLY HA2 1 160 TRP H . . 3.870 2.604 2.482 2.677 . 0 0 "[ . 1 . 2]" 1
797 1 10 VAL MG2 1 159 GLY HA3 . . 4.440 4.305 4.090 4.436 . 0 0 "[ . 1 . 2]" 1
798 1 9 GLN HE21 1 159 GLY HA3 . . 3.810 3.713 3.320 3.818 0.008 19 0 "[ . 1 . 2]" 1
799 1 71 ARG HB3 1 71 ARG HD3 . . 3.540 2.659 2.509 3.127 . 0 0 "[ . 1 . 2]" 1
800 1 102 PHE QD 1 110 ARG HD3 . . 4.480 2.984 2.419 3.442 . 0 0 "[ . 1 . 2]" 1
801 1 59 ARG HB3 1 59 ARG HD3 . . 3.360 2.581 2.041 3.370 0.010 19 0 "[ . 1 . 2]" 1
802 1 110 ARG H 1 110 ARG HD3 . . 4.830 4.581 4.253 4.844 0.014 16 0 "[ . 1 . 2]" 1
803 1 59 ARG HA 1 59 ARG HD3 . . 4.840 4.561 4.411 4.854 0.014 17 0 "[ . 1 . 2]" 1
804 1 24 TYR QE 1 59 ARG HD3 . . 4.840 4.275 3.146 4.878 0.038 17 0 "[ . 1 . 2]" 1
805 1 106 ILE HA 1 110 ARG HD3 . . 4.660 2.910 2.151 3.400 . 0 0 "[ . 1 . 2]" 1
806 1 68 ILE HA 1 71 ARG HD3 . . 4.210 3.005 2.210 4.324 0.114 18 0 "[ . 1 . 2]" 1
807 1 133 PHE HB3 1 134 LEU H . . 4.880 3.193 2.841 3.800 . 0 0 "[ . 1 . 2]" 1
808 1 130 LEU QD 1 133 PHE HB3 . . 4.830 3.663 2.570 4.641 . 0 0 "[ . 1 . 2]" 1
809 1 13 ASP HB3 1 160 TRP H . . 5.140 4.008 3.571 4.286 . 0 0 "[ . 1 . 2]" 1
810 1 13 ASP HB3 1 14 THR HA . . 4.350 4.349 4.309 4.391 0.041 12 0 "[ . 1 . 2]" 1
811 1 13 ASP HB3 1 54 MET HG3 . . 5.340 3.374 2.994 3.695 . 0 0 "[ . 1 . 2]" 1
812 1 13 ASP HB3 1 54 MET ME . . 5.420 3.568 2.993 4.011 . 0 0 "[ . 1 . 2]" 1
813 1 153 TRP HZ2 1 157 ARG HD3 . . 4.260 3.417 3.011 3.845 . 0 0 "[ . 1 . 2]" 1
814 1 120 ARG HA 1 123 LEU HB3 . . 4.370 2.823 2.330 3.514 . 0 0 "[ . 1 . 2]" 1
815 1 123 LEU H 1 123 LEU HB3 . . 3.400 2.519 2.184 2.789 . 0 0 "[ . 1 . 2]" 1
816 1 13 ASP HB3 1 160 TRP HE1 . . 4.760 3.971 3.769 4.121 . 0 0 "[ . 1 . 2]" 1
817 1 143 ASP H 1 143 ASP HB3 . . 3.440 3.113 2.097 3.520 0.080 10 0 "[ . 1 . 2]" 1
818 1 143 ASP HB3 1 144 PHE H . . 3.630 2.805 2.144 3.413 . 0 0 "[ . 1 . 2]" 1
819 1 63 ILE MG 1 66 ASP HB3 . . 5.050 4.076 3.588 4.728 . 0 0 "[ . 1 . 2]" 1
820 1 101 LEU HB3 1 101 LEU QD . . 3.000 2.194 2.020 2.398 . 0 0 "[ . 1 . 2]" 1
821 1 101 LEU HB3 1 102 PHE H . . 4.290 2.508 2.225 2.964 . 0 0 "[ . 1 . 2]" 1
822 1 98 ALA HA 1 101 LEU HB3 . . 4.590 3.124 2.427 4.353 . 0 0 "[ . 1 . 2]" 1
823 1 102 PHE HZ 1 114 LEU HB3 . . 4.050 3.167 2.780 3.604 . 0 0 "[ . 1 . 2]" 1
824 1 111 VAL HA 1 114 LEU HB3 . . 3.980 3.339 3.038 3.661 . 0 0 "[ . 1 . 2]" 1
825 1 164 LEU H 1 164 LEU HB3 . . 3.490 2.544 2.183 2.920 . 0 0 "[ . 1 . 2]" 1
826 1 21 TYR QD 1 61 LEU HB3 . . 4.080 2.805 2.454 3.258 . 0 0 "[ . 1 . 2]" 1
827 1 21 TYR QE 1 61 LEU HB3 . . 4.510 2.742 2.422 3.020 . 0 0 "[ . 1 . 2]" 1
828 1 61 LEU HB3 1 62 ALA H . . 4.500 3.545 3.445 3.675 . 0 0 "[ . 1 . 2]" 1
829 1 106 ILE HB 1 153 TRP HD1 . . 5.160 2.947 2.748 3.285 . 0 0 "[ . 1 . 2]" 1
830 1 107 ASN HB3 1 110 ARG H . . 4.270 3.776 3.309 4.083 . 0 0 "[ . 1 . 2]" 1
831 1 21 TYR HB3 1 22 VAL H . . 3.940 2.358 2.309 2.447 . 0 0 "[ . 1 . 2]" 1
832 1 68 ILE MG 1 72 TYR HB3 . . 5.290 5.279 4.851 5.440 0.150 5 0 "[ . 1 . 2]" 1
833 1 102 PHE HB3 1 150 ILE MD . . 5.270 2.813 2.231 3.472 . 0 0 "[ . 1 . 2]" 1
834 1 165 ASN HB3 1 165 ASN HD21 . . 3.560 2.853 2.120 3.550 . 0 0 "[ . 1 . 2]" 1
835 1 165 ASN H 1 165 ASN HB3 . . 3.240 3.139 2.298 3.573 0.333 15 0 "[ . 1 . 2]" 1
836 1 22 VAL QG 1 119 TYR HB3 . . 4.600 2.782 1.972 3.181 . 0 0 "[ . 1 . 2]" 1
837 1 119 TYR HB3 1 120 ARG H . . 4.520 2.632 2.204 2.829 . 0 0 "[ . 1 . 2]" 1
838 1 76 PHE H 1 76 PHE HB3 . . 3.980 2.829 2.551 3.247 . 0 0 "[ . 1 . 2]" 1
839 1 17 VAL MG1 1 21 TYR HB3 . . 4.440 3.543 3.384 3.698 . 0 0 "[ . 1 . 2]" 1
840 1 102 PHE HB3 1 106 ILE HG13 . . 4.760 4.304 3.902 4.572 . 0 0 "[ . 1 . 2]" 1
841 1 164 LEU QD 1 165 ASN HB3 . . 5.500 3.520 2.348 4.861 . 0 0 "[ . 1 . 2]" 1
842 1 162 ALA MB 1 165 ASN HB3 . . 4.620 4.818 3.664 5.984 1.364 3 7 "[ +*.* 1-* . * *2]" 1
843 1 63 ILE HB 1 64 ILE H . . 3.850 2.341 2.310 2.400 . 0 0 "[ . 1 . 2]" 1
844 1 115 LEU HB3 1 116 GLY H . . 5.100 3.849 3.719 3.918 . 0 0 "[ . 1 . 2]" 1
845 1 21 TYR QE 1 115 LEU HB3 . . 5.070 3.628 3.095 4.064 . 0 0 "[ . 1 . 2]" 1
846 1 17 VAL MG1 1 115 LEU HB3 . . 5.500 5.426 5.279 5.521 0.021 5 0 "[ . 1 . 2]" 1
847 1 21 TYR QD 1 115 LEU HB3 . . 5.150 3.001 2.375 3.403 . 0 0 "[ . 1 . 2]" 1
848 1 63 ILE H 1 63 ILE HB . . 3.410 2.497 2.465 2.519 . 0 0 "[ . 1 . 2]" 1
849 1 64 ILE H 1 64 ILE HB . . 3.780 3.601 3.584 3.611 . 0 0 "[ . 1 . 2]" 1
850 1 68 ILE H 1 68 ILE HB . . 3.450 2.585 2.536 2.656 . 0 0 "[ . 1 . 2]" 1
851 1 97 ILE H 1 97 ILE HB . . 3.760 2.818 2.778 2.867 . 0 0 "[ . 1 . 2]" 1
852 1 97 ILE HB 1 117 PHE QE . . 4.330 3.098 2.534 3.388 . 0 0 "[ . 1 . 2]" 1
853 1 154 ILE HB 1 159 GLY HA2 . . 5.050 4.287 4.217 4.367 . 0 0 "[ . 1 . 2]" 1
854 1 154 ILE HB 1 155 ALA H . . 3.990 2.590 2.494 2.673 . 0 0 "[ . 1 . 2]" 1
855 1 10 VAL MG2 1 154 ILE HB . . 5.500 3.042 2.327 3.394 . 0 0 "[ . 1 . 2]" 1
856 1 153 TRP HE3 1 154 ILE HB . . 4.820 3.810 3.681 3.927 . 0 0 "[ . 1 . 2]" 1
857 1 151 ALA HA 1 154 ILE HB . . 3.990 3.077 2.908 3.333 . 0 0 "[ . 1 . 2]" 1
858 1 154 ILE HB 1 157 ARG H . . 5.500 5.516 5.475 5.555 0.055 10 0 "[ . 1 . 2]" 1
859 1 91 TYR HB3 1 92 GLU H . . 4.350 3.946 3.913 4.011 . 0 0 "[ . 1 . 2]" 1
860 1 29 GLU H 1 29 GLU HG3 . . 3.640 3.316 2.054 3.989 0.349 11 0 "[ . 1 . 2]" 1
861 1 94 PHE HA 1 97 ILE HB . . 4.570 3.182 3.048 3.298 . 0 0 "[ . 1 . 2]" 1
862 1 93 TYR HB3 1 94 PHE H . . 4.690 3.564 3.287 3.765 . 0 0 "[ . 1 . 2]" 1
863 1 93 TYR H 1 93 TYR HB3 . . 3.990 3.627 3.583 3.671 . 0 0 "[ . 1 . 2]" 1
864 1 93 TYR HB3 1 97 ILE MD . . 4.450 3.386 3.230 3.497 . 0 0 "[ . 1 . 2]" 1
865 1 88 GLU HG3 1 89 ASN H . . 3.910 2.380 2.139 3.824 . 0 0 "[ . 1 . 2]" 1
866 1 14 THR HB 1 15 GLU HG3 . . 5.280 5.325 4.970 5.478 0.198 7 0 "[ . 1 . 2]" 1
867 1 15 GLU HG3 1 142 VAL QG . . 4.160 4.145 3.911 4.268 0.108 12 0 "[ . 1 . 2]" 1
868 1 15 GLU HA 1 15 GLU HG3 . . 3.960 3.776 3.733 3.795 . 0 0 "[ . 1 . 2]" 1
869 1 7 GLU HG3 1 151 ALA MB . . 4.330 3.533 1.999 4.594 0.264 11 0 "[ . 1 . 2]" 1
870 1 7 GLU HG3 1 146 LEU QD . . 4.160 2.351 1.870 3.222 . 0 0 "[ . 1 . 2]" 1
871 1 7 GLU HG3 1 8 GLU H . . 4.150 3.510 2.047 4.199 0.049 9 0 "[ . 1 . 2]" 1
872 1 145 MET HA 1 150 ILE HB . . 3.920 2.621 2.304 3.112 . 0 0 "[ . 1 . 2]" 1
873 1 150 ILE HB 1 151 ALA H . . 4.270 2.444 2.353 2.577 . 0 0 "[ . 1 . 2]" 1
874 1 77 GLN HG3 1 78 THR H . . 4.340 3.230 1.961 4.314 . 0 0 "[ . 1 . 2]" 1
875 1 123 LEU QD 1 127 GLN HG3 . . 4.100 2.557 1.916 3.851 . 0 0 "[ . 1 . 2]" 1
876 1 127 GLN H 1 127 GLN HG3 . . 3.850 3.562 3.147 3.852 0.002 12 0 "[ . 1 . 2]" 1
877 1 127 GLN HE21 1 127 GLN HG3 . . 3.620 3.160 2.789 3.426 . 0 0 "[ . 1 . 2]" 1
878 1 54 MET HA 1 54 MET HG3 . . 3.720 2.720 2.076 3.774 0.054 12 0 "[ . 1 . 2]" 1
879 1 17 VAL MG2 1 54 MET HG3 . . 4.700 2.764 1.973 3.539 . 0 0 "[ . 1 . 2]" 1
880 1 126 TYR QE 1 127 GLN HG3 . . 4.270 4.981 2.274 5.973 1.703 10 13 "[ **** **+**- * * *2]" 1
881 1 27 GLN HA 1 27 GLN HG3 . . 3.520 3.082 2.628 3.506 . 0 0 "[ . 1 . 2]" 1
882 1 27 GLN HB3 1 27 GLN HG3 . . 2.860 2.872 2.723 3.011 0.151 7 0 "[ . 1 . 2]" 1
883 1 136 GLN H 1 136 GLN HG3 . . 3.180 3.306 2.456 3.710 0.530 16 1 "[ . 1 .+ 2]" 1
884 1 133 PHE HB3 1 136 GLN HG3 . . 4.720 5.433 4.485 5.967 1.247 9 14 "[** ** *-+** * .* ***]" 1
885 1 136 GLN HB3 1 136 GLN HG3 . . 3.140 2.486 2.310 2.912 . 0 0 "[ . 1 . 2]" 1
886 1 133 PHE HA 1 136 GLN HG3 . . 4.270 2.830 2.058 3.385 . 0 0 "[ . 1 . 2]" 1
887 1 136 GLN HA 1 136 GLN HG3 . . 3.840 3.706 3.601 3.816 . 0 0 "[ . 1 . 2]" 1
888 1 145 MET HG3 1 150 ILE HB . . 4.090 2.327 1.957 3.541 . 0 0 "[ . 1 . 2]" 1
889 1 79 MET HG3 1 80 LEU QD . . 5.500 2.934 2.080 4.170 . 0 0 "[ . 1 . 2]" 1
890 1 44 VAL HB 1 45 THR H . . 3.550 2.829 2.471 3.421 . 0 0 "[ . 1 . 2]" 1
891 1 44 VAL H 1 44 VAL HB . . 3.340 2.621 2.522 2.708 . 0 0 "[ . 1 . 2]" 1
892 1 44 VAL HA 1 44 VAL HB . . 3.030 3.019 3.011 3.023 . 0 0 "[ . 1 . 2]" 1
893 1 142 VAL HB 1 143 ASP H . . 3.820 2.963 2.394 3.989 0.169 12 0 "[ . 1 . 2]" 1
894 1 139 ARG HA 1 142 VAL HB . . 3.560 3.305 2.689 4.418 0.858 5 4 "[ * +* 1 - . 2]" 1
895 1 142 VAL H 1 142 VAL HB . . 3.430 2.637 2.440 3.614 0.184 5 0 "[ . 1 . 2]" 1
896 1 145 MET HB3 1 146 LEU H . . 3.760 2.662 2.393 3.166 . 0 0 "[ . 1 . 2]" 1
897 1 85 PRO HB3 1 86 THR HA . . 4.900 5.539 5.534 5.553 0.653 3 20 [**+****************-] 1
898 1 85 PRO HB3 1 121 LEU QD . . 4.290 3.680 2.901 4.166 . 0 0 "[ . 1 . 2]" 1
899 1 43 MET HB3 1 44 VAL MG2 . . 4.730 3.848 2.328 4.864 0.134 14 0 "[ . 1 . 2]" 1
900 1 17 VAL H 1 17 VAL HB . . 3.650 2.440 2.355 2.482 . 0 0 "[ . 1 . 2]" 1
901 1 17 VAL HB 1 160 TRP HE1 . . 5.450 5.023 4.817 5.108 . 0 0 "[ . 1 . 2]" 1
902 1 17 VAL HB 1 160 TRP HZ2 . . 4.680 4.648 4.452 4.723 0.043 13 0 "[ . 1 . 2]" 1
903 1 17 VAL HB 1 160 TRP HB3 . . 4.760 4.498 4.180 4.807 0.047 18 0 "[ . 1 . 2]" 1
904 1 54 MET HA 1 57 VAL HB . . 3.770 3.029 2.293 3.741 . 0 0 "[ . 1 . 2]" 1
905 1 57 VAL HB 1 58 GLY H . . 3.240 2.319 2.233 2.422 . 0 0 "[ . 1 . 2]" 1
906 1 17 VAL HA 1 57 VAL HB . . 4.290 4.060 3.511 4.333 0.043 18 0 "[ . 1 . 2]" 1
907 1 10 VAL HB 1 154 ILE MG . . 4.860 4.887 4.689 4.929 0.069 1 0 "[ . 1 . 2]" 1
908 1 7 GLU HA 1 10 VAL HB . . 4.130 2.122 2.030 2.382 . 0 0 "[ . 1 . 2]" 1
909 1 10 VAL HB 1 11 ALA H . . 3.460 2.607 2.483 2.766 . 0 0 "[ . 1 . 2]" 1
910 1 141 VAL H 1 141 VAL HB . . 3.390 2.657 2.507 3.613 0.223 10 0 "[ . 1 . 2]" 1
911 1 141 VAL HB 1 142 VAL H . . 3.620 2.379 2.254 3.638 0.018 10 0 "[ . 1 . 2]" 1
912 1 141 VAL HB 1 142 VAL QG . . 4.090 3.190 2.861 3.975 . 0 0 "[ . 1 . 2]" 1
913 1 38 PRO HB3 1 39 ALA H . . 3.670 3.484 3.201 3.713 0.043 8 0 "[ . 1 . 2]" 1
914 1 54 MET ME 1 160 TRP HB3 . . 4.210 3.844 3.051 4.218 0.008 4 0 "[ . 1 . 2]" 1
915 1 160 TRP H 1 160 TRP HB3 . . 3.630 3.571 3.553 3.582 . 0 0 "[ . 1 . 2]" 1
916 1 17 VAL MG2 1 160 TRP HB3 . . 4.690 2.465 2.148 2.827 . 0 0 "[ . 1 . 2]" 1
917 1 108 TRP HZ3 1 111 VAL HB . . 4.520 4.027 3.894 4.220 . 0 0 "[ . 1 . 2]" 1
918 1 108 TRP HE3 1 111 VAL HB . . 4.200 2.839 2.660 3.046 . 0 0 "[ . 1 . 2]" 1
919 1 111 VAL HB 1 112 VAL H . . 3.880 2.553 2.311 2.791 . 0 0 "[ . 1 . 2]" 1
920 1 111 VAL HB 1 145 MET ME . . 5.500 5.029 4.568 5.541 0.041 5 0 "[ . 1 . 2]" 1
921 1 106 ILE MG 1 111 VAL HB . . 5.200 5.177 5.003 5.273 0.073 14 0 "[ . 1 . 2]" 1
922 1 111 VAL HB 1 112 VAL QG . . 4.660 3.118 3.016 3.342 . 0 0 "[ . 1 . 2]" 1
923 1 112 VAL HB 1 113 ALA H . . 3.930 2.913 2.316 3.603 . 0 0 "[ . 1 . 2]" 1
924 1 112 VAL H 1 112 VAL HB . . 3.570 3.014 2.462 3.608 0.038 3 0 "[ . 1 . 2]" 1
925 1 109 GLY HA2 1 112 VAL HB . . 5.070 3.896 3.015 4.937 . 0 0 "[ . 1 . 2]" 1
926 1 161 VAL H 1 161 VAL HB . . 3.070 2.668 2.641 2.688 . 0 0 "[ . 1 . 2]" 1
927 1 161 VAL HB 1 162 ALA H . . 3.700 3.463 3.145 3.598 . 0 0 "[ . 1 . 2]" 1
928 1 161 VAL HA 1 161 VAL HB . . 3.030 3.014 3.011 3.020 . 0 0 "[ . 1 . 2]" 1
929 1 22 VAL H 1 22 VAL HB . . 3.960 3.305 2.573 3.613 . 0 0 "[ . 1 . 2]" 1
930 1 22 VAL HB 1 119 TYR QD . . 4.370 2.873 2.298 3.669 . 0 0 "[ . 1 . 2]" 1
931 1 137 VAL HB 1 138 THR H . . 3.690 2.349 2.224 2.503 . 0 0 "[ . 1 . 2]" 1
932 1 134 LEU HA 1 137 VAL HB . . 4.000 3.227 2.871 3.459 . 0 0 "[ . 1 . 2]" 1
933 1 108 TRP HB3 1 108 TRP HE3 . . 3.990 3.032 2.978 3.102 . 0 0 "[ . 1 . 2]" 1
934 1 108 TRP HB3 1 153 TRP HH2 . . 5.200 4.017 3.946 4.148 . 0 0 "[ . 1 . 2]" 1
935 1 108 TRP HB3 1 166 LEU MD2 . . 5.500 3.844 2.910 4.630 . 0 0 "[ . 1 . 2]" 1
936 1 125 VAL HB 1 126 TYR H . . 4.650 3.665 2.406 4.091 . 0 0 "[ . 1 . 2]" 1
937 1 71 ARG H 1 71 ARG HB3 . . 3.740 3.464 3.439 3.480 . 0 0 "[ . 1 . 2]" 1
938 1 68 ILE HA 1 71 ARG HB3 . . 4.360 3.701 3.410 4.357 . 0 0 "[ . 1 . 2]" 1
939 1 56 GLN HA 1 59 ARG HB3 . . 4.560 3.176 2.848 3.717 . 0 0 "[ . 1 . 2]" 1
940 1 108 TRP HB3 1 112 VAL QG . . 4.910 3.645 3.381 3.909 . 0 0 "[ . 1 . 2]" 1
941 1 108 TRP HB3 1 166 LEU MD1 . . 4.930 2.548 1.971 3.138 . 0 0 "[ . 1 . 2]" 1
942 1 157 ARG H 1 157 ARG HB3 . . 3.580 3.608 3.603 3.614 0.034 9 0 "[ . 1 . 2]" 1
943 1 153 TRP HB3 1 154 ILE H . . 4.490 2.332 2.256 2.508 . 0 0 "[ . 1 . 2]" 1
944 1 150 ILE MG 1 153 TRP HB3 . . 5.500 3.334 3.124 3.520 . 0 0 "[ . 1 . 2]" 1
945 1 106 ILE MG 1 153 TRP HB3 . . 4.920 2.780 2.496 3.246 . 0 0 "[ . 1 . 2]" 1
946 1 103 GLU H 1 103 GLU HB3 . . 3.390 3.171 3.092 3.250 . 0 0 "[ . 1 . 2]" 1
947 1 89 ASN HA 1 92 GLU HB3 . . 4.450 2.829 2.542 3.535 . 0 0 "[ . 1 . 2]" 1
948 1 27 GLN H 1 27 GLN HB3 . . 3.200 2.494 2.396 2.805 . 0 0 "[ . 1 . 2]" 1
949 1 152 ARG HB3 1 153 TRP H . . 4.030 3.315 2.807 3.710 . 0 0 "[ . 1 . 2]" 1
950 1 120 ARG HB3 1 120 ARG HD3 . . 3.690 2.905 2.001 3.881 0.191 19 0 "[ . 1 . 2]" 1
951 1 96 LYS HD3 1 97 ILE MD . . 4.390 1.955 1.860 3.203 . 0 0 "[ . 1 . 2]" 1
952 1 157 ARG HB3 1 157 ARG HE . . 5.320 3.460 3.253 3.661 . 0 0 "[ . 1 . 2]" 1
953 1 68 ILE H 1 68 ILE HG13 . . 4.160 3.214 2.896 3.358 . 0 0 "[ . 1 . 2]" 1
954 1 147 HIS HB3 1 148 HIS H . . 4.540 4.129 2.896 4.622 0.082 16 0 "[ . 1 . 2]" 1
955 1 49 GLN H 1 49 GLN HB3 . . 3.250 2.995 2.733 3.328 0.078 9 0 "[ . 1 . 2]" 1
956 1 68 ILE HA 1 68 ILE HG13 . . 3.810 3.761 3.747 3.779 . 0 0 "[ . 1 . 2]" 1
957 1 68 ILE HG13 1 69 ASN H . . 4.700 4.542 4.359 4.727 0.027 20 0 "[ . 1 . 2]" 1
958 1 26 HIS HB3 1 27 GLN H . . 4.020 3.326 2.856 3.708 . 0 0 "[ . 1 . 2]" 1
959 1 63 ILE H 1 63 ILE HG13 . . 4.760 2.269 2.166 2.357 . 0 0 "[ . 1 . 2]" 1
960 1 153 TRP HE3 1 154 ILE HG13 . . 4.330 2.109 1.992 2.297 . 0 0 "[ . 1 . 2]" 1
961 1 154 ILE H 1 154 ILE HG13 . . 4.410 2.313 2.215 2.470 . 0 0 "[ . 1 . 2]" 1
962 1 127 GLN H 1 128 HIS HB3 . . 5.250 5.347 4.581 5.795 0.545 15 1 "[ . 1 + 2]" 1
963 1 81 GLN HB3 1 82 HIS HD2 . . 4.490 2.516 2.313 2.756 . 0 0 "[ . 1 . 2]" 1
964 1 102 PHE QE 1 114 LEU HG . . 4.260 3.120 1.987 4.273 0.013 12 0 "[ . 1 . 2]" 1
965 1 48 LEU QD 1 50 PRO HG3 . . 4.290 3.172 2.548 4.300 0.010 18 0 "[ . 1 . 2]" 1
966 1 50 PRO HG3 1 51 SER H . . 4.270 4.383 4.297 4.407 0.137 4 0 "[ . 1 . 2]" 1
967 1 98 ALA MB 1 114 LEU HG . . 5.500 3.765 2.953 4.688 . 0 0 "[ . 1 . 2]" 1
968 1 148 HIS HB3 1 150 ILE MD . . 5.170 2.840 1.979 4.000 . 0 0 "[ . 1 . 2]" 1
969 1 2 LEU HA 1 2 LEU HG . . 3.930 3.523 2.279 4.268 0.338 7 0 "[ . 1 . 2]" 1
970 1 2 LEU HG 1 3 PRO HD3 . . 4.710 4.871 3.850 5.544 0.834 7 1 "[ . + 1 . 2]" 1
971 1 80 LEU H 1 80 LEU HG . . 3.910 3.707 2.988 4.029 0.119 16 0 "[ . 1 . 2]" 1
972 1 130 LEU H 1 130 LEU HG . . 4.460 3.786 1.902 4.469 0.009 14 0 "[ . 1 . 2]" 1
973 1 121 LEU H 1 121 LEU HG . . 4.440 4.299 2.124 4.619 0.179 15 0 "[ . 1 . 2]" 1
974 1 71 ARG H 1 71 ARG HG3 . . 4.420 3.039 2.975 3.279 . 0 0 "[ . 1 . 2]" 1
975 1 61 LEU HA 1 61 LEU HG . . 3.540 3.208 3.045 3.326 . 0 0 "[ . 1 . 2]" 1
976 1 58 GLY HA2 1 61 LEU HG . . 3.760 3.448 3.415 3.503 . 0 0 "[ . 1 . 2]" 1
977 1 61 LEU HG 1 163 ALA MB . . 3.730 2.817 2.378 3.062 . 0 0 "[ . 1 . 2]" 1
978 1 58 GLY H 1 61 LEU HG . . 5.100 4.641 4.559 4.722 . 0 0 "[ . 1 . 2]" 1
979 1 102 PHE QD 1 106 ILE HG13 . . 4.490 4.421 4.131 4.516 0.026 10 0 "[ . 1 . 2]" 1
980 1 148 HIS HB3 1 149 CYS H . . 4.420 3.386 1.942 4.154 . 0 0 "[ . 1 . 2]" 1
981 1 139 ARG H 1 139 ARG HG3 . . 3.670 3.596 3.195 3.981 0.311 8 0 "[ . 1 . 2]" 1
982 1 134 LEU HG 1 136 GLN H . . 4.350 4.356 4.188 4.564 0.214 3 0 "[ . 1 . 2]" 1
983 1 165 ASN H 1 166 LEU HG . . 4.140 3.515 3.149 4.043 . 0 0 "[ . 1 . 2]" 1
984 1 166 LEU H 1 166 LEU HG . . 4.010 2.793 2.158 3.205 . 0 0 "[ . 1 . 2]" 1
985 1 163 ALA HA 1 166 LEU HG . . 3.980 2.245 1.979 2.982 . 0 0 "[ . 1 . 2]" 1
986 1 121 LEU HG 1 122 ALA H . . 3.950 3.784 3.053 4.339 0.389 15 0 "[ . 1 . 2]" 1
987 1 60 GLN H 1 61 LEU QD . . 5.090 4.757 4.569 4.913 . 0 0 "[ . 1 . 2]" 1
988 1 61 LEU QD 1 112 VAL HA . . 4.340 3.280 2.840 3.597 . 0 0 "[ . 1 . 2]" 1
989 1 61 LEU QD 1 112 VAL HB . . 4.740 3.888 3.483 4.370 . 0 0 "[ . 1 . 2]" 1
990 1 157 ARG H 1 157 ARG HG3 . . 3.600 3.271 3.231 3.300 . 0 0 "[ . 1 . 2]" 1
991 1 112 VAL HA 1 115 LEU HG . . 3.300 2.860 2.694 3.018 . 0 0 "[ . 1 . 2]" 1
992 1 59 ARG H 1 59 ARG HG3 . . 4.740 4.459 4.249 4.521 . 0 0 "[ . 1 . 2]" 1
993 1 83 LEU H 1 83 LEU HG . . 4.600 4.386 4.120 4.564 . 0 0 "[ . 1 . 2]" 1
994 1 114 LEU H 1 114 LEU QD . . 4.730 3.718 3.685 3.736 . 0 0 "[ . 1 . 2]" 1
995 1 102 PHE QE 1 114 LEU QD . . 3.300 1.926 1.821 2.028 . 0 0 "[ . 1 . 2]" 1
996 1 114 LEU QD 1 115 LEU HA . . 5.500 3.565 3.103 4.010 . 0 0 "[ . 1 . 2]" 1
997 1 98 ALA MB 1 114 LEU QD . . 3.480 2.201 1.849 2.553 . 0 0 "[ . 1 . 2]" 1
998 1 111 VAL HA 1 114 LEU QD . . 4.340 3.253 3.037 3.475 . 0 0 "[ . 1 . 2]" 1
999 1 114 LEU QD 1 145 MET ME . . 4.620 2.998 2.599 3.671 . 0 0 "[ . 1 . 2]" 1
1000 1 17 VAL MG1 1 61 LEU QD . . 4.540 2.189 1.894 2.628 . 0 0 "[ . 1 . 2]" 1
1001 1 61 LEU HB3 1 61 LEU QD . . 2.960 2.086 2.015 2.126 . 0 0 "[ . 1 . 2]" 1
1002 1 115 LEU HG 1 116 GLY H . . 3.990 3.771 3.568 3.996 0.006 8 0 "[ . 1 . 2]" 1
1003 1 157 ARG HA 1 157 ARG HG3 . . 3.900 3.827 3.821 3.836 . 0 0 "[ . 1 . 2]" 1
1004 1 157 ARG HG3 1 158 GLY H . . 4.910 5.216 5.100 5.269 0.359 9 0 "[ . 1 . 2]" 1
1005 1 115 LEU H 1 115 LEU HG . . 3.600 2.032 1.925 2.232 . 0 0 "[ . 1 . 2]" 1
1006 1 76 PHE QE 1 80 LEU QD . . 3.440 2.542 1.964 2.806 . 0 0 "[ . 1 . 2]" 1
1007 1 148 HIS HA 1 149 CYS HB3 . . 5.070 5.285 4.605 5.805 0.735 3 6 "[ +** 1 .* - *]" 1
1008 1 101 LEU HA 1 101 LEU HG . . 3.770 2.999 2.651 3.358 . 0 0 "[ . 1 . 2]" 1
1009 1 123 LEU QD 1 124 HIS HD2 . . 4.520 4.038 1.984 4.535 0.015 3 0 "[ . 1 . 2]" 1
1010 1 23 PHE H 1 46 LEU QD . . 4.290 3.778 3.078 4.168 . 0 0 "[ . 1 . 2]" 1
1011 1 46 LEU HA 1 46 LEU QD . . 3.280 2.409 1.908 3.216 . 0 0 "[ . 1 . 2]" 1
1012 1 22 VAL QG 1 46 LEU QD . . 3.890 3.106 2.298 3.658 . 0 0 "[ . 1 . 2]" 1
1013 1 23 PHE QD 1 46 LEU QD . . 3.990 3.005 2.250 3.646 . 0 0 "[ . 1 . 2]" 1
1014 1 80 LEU H 1 80 LEU QD . . 4.930 2.818 2.235 3.540 . 0 0 "[ . 1 . 2]" 1
1015 1 80 LEU HA 1 80 LEU QD . . 3.920 2.206 1.860 2.896 . 0 0 "[ . 1 . 2]" 1
1016 1 80 LEU QD 1 121 LEU QD . . 3.460 1.915 1.579 2.481 . 0 0 "[ . 1 . 2]" 1
1017 1 83 LEU H 1 83 LEU MD1 . . 4.270 4.064 3.953 4.218 . 0 0 "[ . 1 . 2]" 1
1018 1 101 LEU QD 1 114 LEU HA . . 5.500 3.036 2.886 3.237 . 0 0 "[ . 1 . 2]" 1
1019 1 109 GLY HA2 1 112 VAL QG . . 5.210 2.459 1.972 3.053 . 0 0 "[ . 1 . 2]" 1
1020 1 108 TRP HZ3 1 112 VAL QG . . 4.560 4.297 3.950 4.537 . 0 0 "[ . 1 . 2]" 1
1021 1 1 ALA H1 1 2 LEU QD . . 4.460 3.219 2.302 4.646 0.186 10 0 "[ . 1 . 2]" 1
1022 1 164 LEU MD1 1 164 LEU MD2 . . 2.500 2.029 1.949 2.087 . 0 0 "[ . 1 . 2]" 1
1023 1 46 LEU QD 1 47 PRO HD3 . . 3.680 3.853 3.401 4.491 0.811 1 4 "[+ . *1 * - 2]" 1
1024 1 46 LEU QD 1 48 LEU QD . . 3.200 2.494 1.756 3.174 . 0 0 "[ . 1 . 2]" 1
1025 1 7 GLU HA 1 146 LEU QD . . 4.220 3.510 2.925 4.263 0.043 9 0 "[ . 1 . 2]" 1
1026 1 83 LEU MD1 1 84 GLN H . . 4.460 4.219 3.447 4.854 0.394 8 0 "[ . 1 . 2]" 1
1027 1 83 LEU HA 1 83 LEU MD1 . . 4.020 2.840 1.896 3.801 . 0 0 "[ . 1 . 2]" 1
1028 1 23 PHE QE 1 48 LEU QD . . 4.530 2.501 1.954 3.571 . 0 0 "[ . 1 . 2]" 1
1029 1 48 LEU QD 1 50 PRO HD3 . . 4.760 2.164 1.862 2.733 . 0 0 "[ . 1 . 2]" 1
1030 1 83 LEU MD1 1 93 TYR HB3 . . 4.070 3.528 2.900 4.093 0.023 14 0 "[ . 1 . 2]" 1
1031 1 112 VAL QG 1 113 ALA H . . 3.870 2.579 1.907 3.203 . 0 0 "[ . 1 . 2]" 1
1032 1 108 TRP HE3 1 112 VAL QG . . 5.050 3.234 3.015 3.401 . 0 0 "[ . 1 . 2]" 1
1033 1 61 LEU HA 1 112 VAL QG . . 4.060 2.869 2.534 3.277 . 0 0 "[ . 1 . 2]" 1
1034 1 112 VAL HA 1 112 VAL QG . . 3.210 2.170 2.012 2.299 . 0 0 "[ . 1 . 2]" 1
1035 1 61 LEU HB3 1 112 VAL QG . . 3.510 2.171 1.803 2.600 . 0 0 "[ . 1 . 2]" 1
1036 1 64 ILE MD 1 112 VAL QG . . 3.200 1.950 1.852 2.103 . 0 0 "[ . 1 . 2]" 1
1037 1 111 VAL H 1 112 VAL QG . . 4.700 3.859 3.478 4.274 . 0 0 "[ . 1 . 2]" 1
1038 1 87 ALA H 1 130 LEU QD . . 4.080 3.136 2.130 3.710 . 0 0 "[ . 1 . 2]" 1
1039 1 125 VAL HB 1 130 LEU QD . . 4.100 3.415 2.198 4.182 0.082 7 0 "[ . 1 . 2]" 1
1040 1 130 LEU HA 1 130 LEU QD . . 3.740 2.491 2.032 3.365 . 0 0 "[ . 1 . 2]" 1
1041 1 126 TYR QD 1 130 LEU QD . . 5.040 3.583 2.867 4.804 . 0 0 "[ . 1 . 2]" 1
1042 1 166 LEU MD1 1 166 LEU MD2 . . 2.850 1.993 1.902 2.086 . 0 0 "[ . 1 . 2]" 1
1043 1 166 LEU H 1 166 LEU MD1 . . 4.570 3.938 3.579 4.200 . 0 0 "[ . 1 . 2]" 1
1044 1 108 TRP HZ2 1 166 LEU MD1 . . 5.030 4.308 3.214 5.040 0.010 1 0 "[ . 1 . 2]" 1
1045 1 10 VAL MG2 1 154 ILE MD . . 4.860 4.024 3.718 4.322 . 0 0 "[ . 1 . 2]" 1
1046 1 10 VAL MG2 1 155 ALA H . . 4.080 2.911 2.081 3.226 . 0 0 "[ . 1 . 2]" 1
1047 1 10 VAL H 1 10 VAL MG2 . . 3.040 2.209 2.100 2.450 . 0 0 "[ . 1 . 2]" 1
1048 1 10 VAL MG2 1 160 TRP HD1 . . 4.080 3.972 3.705 4.083 0.003 14 0 "[ . 1 . 2]" 1
1049 1 10 VAL MG2 1 159 GLY HA2 . . 3.460 3.366 3.167 3.499 0.039 10 0 "[ . 1 . 2]" 1
1050 1 7 GLU HA 1 10 VAL MG2 . . 3.090 2.296 1.959 2.563 . 0 0 "[ . 1 . 2]" 1
1051 1 10 VAL MG1 1 10 VAL MG2 . . 3.080 2.060 1.968 2.092 . 0 0 "[ . 1 . 2]" 1
1052 1 10 VAL MG2 1 154 ILE MG . . 3.610 2.746 2.644 2.881 . 0 0 "[ . 1 . 2]" 1
1053 1 121 LEU H 1 121 LEU QD . . 4.350 3.586 2.306 3.727 . 0 0 "[ . 1 . 2]" 1
1054 1 121 LEU QD 1 122 ALA H . . 4.450 3.158 2.332 3.951 . 0 0 "[ . 1 . 2]" 1
1055 1 117 PHE QE 1 121 LEU QD . . 4.060 2.560 1.886 4.080 0.020 15 0 "[ . 1 . 2]" 1
1056 1 2 LEU QD 1 3 PRO HD3 . . 3.640 2.838 2.527 4.214 0.574 7 1 "[ . + 1 . 2]" 1
1057 1 114 LEU MD1 1 114 LEU MD2 . . 2.700 2.035 1.936 2.084 . 0 0 "[ . 1 . 2]" 1
1058 1 163 ALA HA 1 166 LEU MD1 . . 3.790 2.151 1.974 2.548 . 0 0 "[ . 1 . 2]" 1
1059 1 112 VAL MG1 1 112 VAL MG2 . . 3.060 2.021 1.903 2.097 . 0 0 "[ . 1 . 2]" 1
1060 1 57 VAL H 1 57 VAL MG2 . . 3.140 2.115 1.980 2.262 . 0 0 "[ . 1 . 2]" 1
1061 1 57 VAL MG2 1 160 TRP HE3 . . 4.470 3.843 3.107 4.443 . 0 0 "[ . 1 . 2]" 1
1062 1 54 MET HA 1 57 VAL MG2 . . 3.350 2.124 1.918 2.581 . 0 0 "[ . 1 . 2]" 1
1063 1 54 MET H 1 57 VAL MG2 . . 4.260 3.959 3.636 4.241 . 0 0 "[ . 1 . 2]" 1
1064 1 57 VAL MG2 1 161 VAL HA . . 3.330 2.919 2.233 3.388 0.058 8 0 "[ . 1 . 2]" 1
1065 1 57 VAL MG2 1 160 TRP HB3 . . 3.820 2.642 2.025 3.281 . 0 0 "[ . 1 . 2]" 1
1066 1 17 VAL MG1 1 57 VAL MG2 . . 5.300 3.645 3.199 4.142 . 0 0 "[ . 1 . 2]" 1
1067 1 57 VAL HA 1 57 VAL MG1 . . 3.230 2.328 2.196 2.419 . 0 0 "[ . 1 . 2]" 1
1068 1 137 VAL H 1 137 VAL QG . . 2.760 2.027 1.882 2.396 . 0 0 "[ . 1 . 2]" 1
1069 1 83 LEU MD2 1 84 GLN H . . 4.840 3.695 2.969 4.588 . 0 0 "[ . 1 . 2]" 1
1070 1 83 LEU MD2 1 93 TYR HB3 . . 4.590 3.136 2.594 4.025 . 0 0 "[ . 1 . 2]" 1
1071 1 83 LEU MD2 1 93 TYR HA . . 4.750 4.856 4.525 5.270 0.520 9 1 "[ . +1 . 2]" 1
1072 1 14 THR MG 1 160 TRP HE1 . . 3.970 3.693 3.509 3.959 . 0 0 "[ . 1 . 2]" 1
1073 1 14 THR MG 1 18 PHE H . . 4.080 4.079 3.964 4.159 0.079 20 0 "[ . 1 . 2]" 1
1074 1 14 THR H 1 14 THR MG . . 3.750 3.757 3.739 3.768 0.018 12 0 "[ . 1 . 2]" 1
1075 1 14 THR MG 1 160 TRP HZ2 . . 3.320 2.375 1.963 2.672 . 0 0 "[ . 1 . 2]" 1
1076 1 14 THR HA 1 14 THR MG . . 3.170 2.408 2.272 2.474 . 0 0 "[ . 1 . 2]" 1
1077 1 14 THR MG 1 141 VAL QG . . 3.190 2.652 2.450 2.833 . 0 0 "[ . 1 . 2]" 1
1078 1 14 THR MG 1 17 VAL MG1 . . 5.390 4.771 4.286 4.966 . 0 0 "[ . 1 . 2]" 1
1079 1 14 THR MG 1 142 VAL QG . . 3.130 2.533 2.028 3.057 . 0 0 "[ . 1 . 2]" 1
1080 1 14 THR MG 1 17 VAL MG2 . . 5.140 5.104 4.996 5.160 0.020 10 0 "[ . 1 . 2]" 1
1081 1 53 THR MG 1 57 VAL MG2 . . 2.850 2.652 2.030 2.901 0.051 15 0 "[ . 1 . 2]" 1
1082 1 17 VAL MG2 1 57 VAL MG2 . . 4.270 2.713 2.268 3.141 . 0 0 "[ . 1 . 2]" 1
1083 1 57 VAL HA 1 57 VAL MG2 . . 2.980 2.398 2.330 2.438 . 0 0 "[ . 1 . 2]" 1
1084 1 57 VAL MG1 1 160 TRP HE3 . . 3.570 2.139 1.885 2.506 . 0 0 "[ . 1 . 2]" 1
1085 1 17 VAL MG2 1 57 VAL MG1 . . 3.560 2.598 2.154 2.901 . 0 0 "[ . 1 . 2]" 1
1086 1 57 VAL MG1 1 58 GLY H . . 3.530 3.205 2.996 3.475 . 0 0 "[ . 1 . 2]" 1
1087 1 57 VAL MG1 1 160 TRP HB3 . . 3.370 2.577 1.978 3.133 . 0 0 "[ . 1 . 2]" 1
1088 1 115 LEU QD 1 116 GLY H . . 3.950 3.901 3.830 3.959 0.009 1 0 "[ . 1 . 2]" 1
1089 1 114 LEU H 1 115 LEU QD . . 4.820 4.187 4.076 4.276 . 0 0 "[ . 1 . 2]" 1
1090 1 163 ALA H 1 164 LEU QD . . 4.180 3.225 2.456 3.958 . 0 0 "[ . 1 . 2]" 1
1091 1 111 VAL MG2 1 112 VAL H . . 4.120 3.849 3.760 3.943 . 0 0 "[ . 1 . 2]" 1
1092 1 111 VAL H 1 111 VAL MG2 . . 3.230 2.297 2.219 2.401 . 0 0 "[ . 1 . 2]" 1
1093 1 107 ASN H 1 111 VAL MG2 . . 3.900 3.505 3.227 3.839 . 0 0 "[ . 1 . 2]" 1
1094 1 108 TRP HA 1 111 VAL MG2 . . 3.440 2.663 2.416 2.849 . 0 0 "[ . 1 . 2]" 1
1095 1 111 VAL MG2 1 154 ILE MD . . 3.740 2.776 2.506 2.911 . 0 0 "[ . 1 . 2]" 1
1096 1 106 ILE MG 1 111 VAL MG2 . . 3.700 2.792 2.633 2.913 . 0 0 "[ . 1 . 2]" 1
1097 1 18 PHE QE 1 22 VAL QG . . 4.390 2.920 2.438 3.502 . 0 0 "[ . 1 . 2]" 1
1098 1 22 VAL QG 1 119 TYR QE . . 4.430 2.926 2.282 3.939 . 0 0 "[ . 1 . 2]" 1
1099 1 21 TYR H 1 22 VAL QG . . 4.140 3.666 3.568 3.826 . 0 0 "[ . 1 . 2]" 1
1100 1 22 VAL QG 1 119 TYR QD . . 3.300 2.380 1.775 3.024 . 0 0 "[ . 1 . 2]" 1
1101 1 22 VAL MG1 1 22 VAL MG2 . . 3.090 2.058 1.941 2.095 . 0 0 "[ . 1 . 2]" 1
1102 1 22 VAL QG 1 23 PHE H . . 4.110 2.097 1.904 2.185 . 0 0 "[ . 1 . 2]" 1
1103 1 18 PHE QD 1 22 VAL QG . . 5.210 3.239 2.780 3.802 . 0 0 "[ . 1 . 2]" 1
1104 1 101 LEU MD1 1 101 LEU MD2 . . 2.900 1.956 1.900 2.045 . 0 0 "[ . 1 . 2]" 1
1105 1 83 LEU H 1 83 LEU MD2 . . 4.660 4.214 3.566 4.347 . 0 0 "[ . 1 . 2]" 1
1106 1 83 LEU MD2 1 93 TYR QD . . 3.990 3.279 2.717 3.799 . 0 0 "[ . 1 . 2]" 1
1107 1 83 LEU MD1 1 83 LEU MD2 . . 2.940 2.044 1.970 2.092 . 0 0 "[ . 1 . 2]" 1
1108 1 80 LEU HA 1 83 LEU MD2 . . 5.240 4.443 3.685 5.571 0.331 9 0 "[ . 1 . 2]" 1
1109 1 17 VAL MG2 1 160 TRP HE1 . . 4.610 4.620 4.494 4.660 0.050 3 0 "[ . 1 . 2]" 1
1110 1 17 VAL MG2 1 18 PHE H . . 4.070 3.995 3.942 4.107 0.037 18 0 "[ . 1 . 2]" 1
1111 1 17 VAL H 1 17 VAL MG2 . . 3.230 2.353 2.149 2.557 . 0 0 "[ . 1 . 2]" 1
1112 1 17 VAL MG2 1 160 TRP HD1 . . 4.040 4.000 3.819 4.067 0.027 1 0 "[ . 1 . 2]" 1
1113 1 17 VAL MG2 1 54 MET HA . . 3.650 2.629 2.188 3.023 . 0 0 "[ . 1 . 2]" 1
1114 1 17 VAL HA 1 17 VAL MG2 . . 3.210 2.299 2.166 2.398 . 0 0 "[ . 1 . 2]" 1
1115 1 17 VAL MG2 1 57 VAL HB . . 3.820 2.235 1.943 2.524 . 0 0 "[ . 1 . 2]" 1
1116 1 17 VAL MG2 1 54 MET HB3 . . 3.680 2.318 1.899 2.923 . 0 0 "[ . 1 . 2]" 1
1117 1 86 THR MG 1 93 TYR QE . . 3.770 3.740 3.074 3.809 0.039 18 0 "[ . 1 . 2]" 1
1118 1 108 TRP HE3 1 111 VAL MG1 . . 3.910 3.436 3.200 3.627 . 0 0 "[ . 1 . 2]" 1
1119 1 111 VAL MG1 1 160 TRP HZ3 . . 3.500 2.968 2.784 3.160 . 0 0 "[ . 1 . 2]" 1
1120 1 111 VAL MG1 1 111 VAL MG2 . . 3.050 1.907 1.900 1.924 . 0 0 "[ . 1 . 2]" 1
1121 1 111 VAL MG1 1 154 ILE MD . . 3.530 2.221 2.007 2.335 . 0 0 "[ . 1 . 2]" 1
1122 1 142 VAL H 1 142 VAL QG . . 2.970 2.046 1.808 2.241 . 0 0 "[ . 1 . 2]" 1
1123 1 14 THR HB 1 142 VAL QG . . 3.350 2.512 1.904 3.178 . 0 0 "[ . 1 . 2]" 1
1124 1 142 VAL QG 1 143 ASP H . . 3.930 2.949 2.026 3.381 . 0 0 "[ . 1 . 2]" 1
1125 1 15 GLU H 1 142 VAL QG . . 3.690 2.755 2.263 3.030 . 0 0 "[ . 1 . 2]" 1
1126 1 115 LEU H 1 115 LEU QD . . 4.330 2.382 2.262 2.464 . 0 0 "[ . 1 . 2]" 1
1127 1 18 PHE QE 1 115 LEU QD . . 3.790 2.702 2.288 2.889 . 0 0 "[ . 1 . 2]" 1
1128 1 18 PHE QD 1 115 LEU QD . . 3.390 1.843 1.806 1.862 . 0 0 "[ . 1 . 2]" 1
1129 1 17 VAL MG1 1 115 LEU QD . . 4.000 2.829 2.620 3.027 . 0 0 "[ . 1 . 2]" 1
1130 1 141 VAL H 1 141 VAL QG . . 3.530 2.104 1.861 2.275 . 0 0 "[ . 1 . 2]" 1
1131 1 15 GLU H 1 138 THR MG . . 4.580 4.337 4.043 4.655 0.075 1 0 "[ . 1 . 2]" 1
1132 1 138 THR MG 1 139 ARG H . . 4.180 3.710 3.243 4.235 0.055 10 0 "[ . 1 . 2]" 1
1133 1 138 THR H 1 138 THR MG . . 4.420 3.595 3.022 3.767 . 0 0 "[ . 1 . 2]" 1
1134 1 18 PHE QD 1 138 THR MG . . 3.480 2.632 1.870 3.481 0.001 19 0 "[ . 1 . 2]" 1
1135 1 15 GLU HA 1 138 THR MG . . 3.260 2.320 1.879 2.823 . 0 0 "[ . 1 . 2]" 1
1136 1 138 THR HA 1 138 THR MG . . 3.270 2.228 1.996 2.401 . 0 0 "[ . 1 . 2]" 1
1137 1 86 THR H 1 86 THR MG . . 3.700 3.004 2.175 3.261 . 0 0 "[ . 1 . 2]" 1
1138 1 86 THR MG 1 87 ALA H . . 3.720 3.561 3.089 3.703 . 0 0 "[ . 1 . 2]" 1
1139 1 111 VAL MG1 1 112 VAL H . . 4.470 3.372 3.094 3.612 . 0 0 "[ . 1 . 2]" 1
1140 1 95 THR HA 1 95 THR MG . . 3.330 2.335 2.227 2.378 . 0 0 "[ . 1 . 2]" 1
1141 1 45 THR MG 1 46 LEU H . . 3.270 2.316 1.932 3.216 . 0 0 "[ . 1 . 2]" 1
1142 1 10 VAL MG1 1 11 ALA H . . 3.970 3.356 3.169 3.464 . 0 0 "[ . 1 . 2]" 1
1143 1 10 VAL H 1 10 VAL MG1 . . 3.960 3.757 3.746 3.763 . 0 0 "[ . 1 . 2]" 1
1144 1 10 VAL MG1 1 154 ILE HB . . 3.380 2.288 1.934 2.524 . 0 0 "[ . 1 . 2]" 1
1145 1 10 VAL MG1 1 154 ILE MG . . 3.780 2.594 2.492 2.724 . 0 0 "[ . 1 . 2]" 1
1146 1 10 VAL MG1 1 160 TRP HE1 . . 4.040 2.266 2.084 2.448 . 0 0 "[ . 1 . 2]" 1
1147 1 141 VAL HA 1 141 VAL QG . . 3.170 2.133 2.105 2.324 . 0 0 "[ . 1 . 2]" 1
1148 1 141 VAL MG1 1 141 VAL MG2 . . 3.040 2.049 1.938 2.085 . 0 0 "[ . 1 . 2]" 1
1149 1 108 TRP HE1 1 166 LEU MD2 . . 4.460 3.608 2.943 4.084 . 0 0 "[ . 1 . 2]" 1
1150 1 166 LEU MD2 1 167 GLY H . . 4.160 3.239 2.609 3.727 . 0 0 "[ . 1 . 2]" 1
1151 1 166 LEU H 1 166 LEU MD2 . . 4.340 3.619 3.217 3.986 . 0 0 "[ . 1 . 2]" 1
1152 1 163 ALA HA 1 166 LEU MD2 . . 4.050 3.646 3.242 4.066 0.016 7 0 "[ . 1 . 2]" 1
1153 1 165 ASN HB3 1 166 LEU MD2 . . 4.560 4.136 3.369 4.644 0.084 6 0 "[ . 1 . 2]" 1
1154 1 141 VAL QG 1 143 ASP H . . 5.180 4.495 4.019 4.708 . 0 0 "[ . 1 . 2]" 1
1155 1 94 PHE HZ 1 141 VAL QG . . 3.770 2.160 1.905 2.496 . 0 0 "[ . 1 . 2]" 1
1156 1 137 VAL QG 1 141 VAL QG . . 3.760 2.425 2.132 2.760 . 0 0 "[ . 1 . 2]" 1
1157 1 137 VAL HA 1 141 VAL QG . . 5.130 3.794 3.459 4.036 . 0 0 "[ . 1 . 2]" 1
1158 1 54 MET H 1 54 MET ME . . 3.480 2.531 2.050 3.209 . 0 0 "[ . 1 . 2]" 1
1159 1 99 THR H 1 99 THR MG . . 4.080 3.764 3.749 3.771 . 0 0 "[ . 1 . 2]" 1
1160 1 99 THR MG 1 148 HIS HD2 . . 4.080 4.087 3.792 4.146 0.066 20 0 "[ . 1 . 2]" 1
1161 1 99 THR MG 1 100 SER H . . 3.700 3.495 3.224 3.712 0.012 16 0 "[ . 1 . 2]" 1
1162 1 95 THR H 1 95 THR MG . . 3.470 2.220 2.111 2.499 . 0 0 "[ . 1 . 2]" 1
1163 1 95 THR MG 1 98 ALA MB . . 4.590 4.461 4.313 4.555 . 0 0 "[ . 1 . 2]" 1
1164 1 142 VAL QG 1 146 LEU QD . . 3.550 2.442 1.951 2.965 . 0 0 "[ . 1 . 2]" 1
1165 1 161 VAL QG 1 164 LEU QD . . 3.060 2.374 1.945 2.721 . 0 0 "[ . 1 . 2]" 1
1166 1 161 VAL H 1 161 VAL QG . . 3.010 2.050 1.911 2.203 . 0 0 "[ . 1 . 2]" 1
1167 1 34 GLY H 1 35 VAL QG . . 3.980 2.901 2.606 3.639 . 0 0 "[ . 1 . 2]" 1
1168 1 35 VAL H 1 35 VAL QG . . 2.880 1.981 1.822 2.278 . 0 0 "[ . 1 . 2]" 1
1169 1 44 VAL H 1 44 VAL MG2 . . 3.020 2.164 1.938 2.459 . 0 0 "[ . 1 . 2]" 1
1170 1 125 VAL QG 1 133 PHE QE . . 3.980 2.508 2.009 3.666 . 0 0 "[ . 1 . 2]" 1
1171 1 53 THR HB 1 54 MET ME . . 3.070 2.435 1.982 3.076 0.006 18 0 "[ . 1 . 2]" 1
1172 1 54 MET HA 1 54 MET ME . . 3.130 2.877 2.579 3.133 0.003 6 0 "[ . 1 . 2]" 1
1173 1 54 MET ME 1 161 VAL QG . . 3.080 2.209 1.816 3.053 . 0 0 "[ . 1 . 2]" 1
1174 1 17 VAL MG2 1 54 MET ME . . 3.800 3.702 3.105 3.810 0.010 5 0 "[ . 1 . 2]" 1
1175 1 122 ALA HA 1 125 VAL QG . . 3.800 2.406 1.870 2.953 . 0 0 "[ . 1 . 2]" 1
1176 1 125 VAL QG 1 126 TYR H . . 4.270 2.194 1.867 3.241 . 0 0 "[ . 1 . 2]" 1
1177 1 44 VAL HA 1 44 VAL MG2 . . 3.040 2.405 2.328 2.475 . 0 0 "[ . 1 . 2]" 1
1178 1 17 VAL MG1 1 160 TRP HE3 . . 3.970 2.389 2.099 2.786 . 0 0 "[ . 1 . 2]" 1
1179 1 17 VAL MG1 1 160 TRP HZ3 . . 4.330 2.669 2.370 3.004 . 0 0 "[ . 1 . 2]" 1
1180 1 17 VAL MG1 1 58 GLY HA3 . . 4.140 3.295 2.811 3.653 . 0 0 "[ . 1 . 2]" 1
1181 1 17 VAL MG1 1 57 VAL MG1 . . 3.230 1.953 1.795 2.401 . 0 0 "[ . 1 . 2]" 1
1182 1 17 VAL MG1 1 17 VAL MG2 . . 3.060 2.025 1.922 2.097 . 0 0 "[ . 1 . 2]" 1
1183 1 17 VAL MG1 1 58 GLY H . . 4.050 2.971 2.522 3.544 . 0 0 "[ . 1 . 2]" 1
1184 1 17 VAL MG1 1 58 GLY HA2 . . 3.490 2.844 2.349 3.155 . 0 0 "[ . 1 . 2]" 1
1185 1 17 VAL HA 1 17 VAL MG1 . . 3.330 2.427 2.372 2.523 . 0 0 "[ . 1 . 2]" 1
1186 1 17 VAL MG1 1 57 VAL HB . . 4.940 2.702 2.142 3.370 . 0 0 "[ . 1 . 2]" 1
1187 1 5 ALA H 1 5 ALA MB . . 2.910 2.626 2.061 2.917 0.007 14 0 "[ . 1 . 2]" 1
1188 1 5 ALA MB 1 6 SER H . . 2.880 2.648 2.169 2.878 . 0 0 "[ . 1 . 2]" 1
1189 1 1 ALA MB 1 2 LEU HA . . 4.380 4.141 4.076 4.162 . 0 0 "[ . 1 . 2]" 1
1190 1 1 ALA MB 1 2 LEU QD . . 3.210 3.134 1.888 3.406 0.196 10 0 "[ . 1 . 2]" 1
1191 1 125 VAL QG 1 133 PHE HB3 . . 4.570 4.366 3.834 4.696 0.126 10 0 "[ . 1 . 2]" 1
1192 1 125 VAL QG 1 130 LEU QD . . 4.540 2.367 1.616 3.274 . 0 0 "[ . 1 . 2]" 1
1193 1 32 ALA MB 1 33 GLU H . . 2.980 2.286 2.157 2.472 . 0 0 "[ . 1 . 2]" 1
1194 1 32 ALA H 1 32 ALA MB . . 2.640 2.169 2.075 2.252 . 0 0 "[ . 1 . 2]" 1
1195 1 32 ALA HA 1 32 ALA MB . . 2.490 2.106 2.082 2.127 . 0 0 "[ . 1 . 2]" 1
1196 1 29 GLU HA 1 32 ALA MB . . 3.150 2.953 1.966 3.280 0.130 3 0 "[ . 1 . 2]" 1
1197 1 36 ALA HA 1 36 ALA MB . . 2.530 2.112 2.086 2.126 . 0 0 "[ . 1 . 2]" 1
1198 1 5 ALA MB 1 155 ALA HA . . 3.310 2.884 1.916 3.317 0.007 16 0 "[ . 1 . 2]" 1
1199 1 5 ALA MB 1 9 GLN HE21 . . 4.630 2.236 1.932 3.317 . 0 0 "[ . 1 . 2]" 1
1200 1 86 THR H 1 90 ALA MB . . 4.710 4.274 4.168 4.370 . 0 0 "[ . 1 . 2]" 1
1201 1 90 ALA MB 1 91 TYR H . . 3.800 2.310 2.271 2.395 . 0 0 "[ . 1 . 2]" 1
1202 1 90 ALA MB 1 93 TYR H . . 5.020 4.800 4.614 4.922 . 0 0 "[ . 1 . 2]" 1
1203 1 43 MET ME 1 44 VAL H . . 3.560 3.461 3.105 3.633 0.073 1 0 "[ . 1 . 2]" 1
1204 1 43 MET ME 1 44 VAL MG2 . . 3.210 2.572 1.873 3.244 0.034 17 0 "[ . 1 . 2]" 1
1205 1 108 TRP HE1 1 162 ALA MB . . 4.300 3.510 2.965 4.134 . 0 0 "[ . 1 . 2]" 1
1206 1 162 ALA MB 1 163 ALA H . . 3.570 3.239 3.122 3.347 . 0 0 "[ . 1 . 2]" 1
1207 1 162 ALA H 1 162 ALA MB . . 2.740 2.266 2.106 2.440 . 0 0 "[ . 1 . 2]" 1
1208 1 108 TRP HZ2 1 162 ALA MB . . 3.170 2.240 1.876 2.674 . 0 0 "[ . 1 . 2]" 1
1209 1 108 TRP HH2 1 162 ALA MB . . 3.820 3.563 3.104 3.847 0.027 17 0 "[ . 1 . 2]" 1
1210 1 158 GLY HA3 1 162 ALA MB . . 3.480 2.357 1.930 2.653 . 0 0 "[ . 1 . 2]" 1
1211 1 11 ALA H 1 11 ALA MB . . 2.990 2.065 2.024 2.229 . 0 0 "[ . 1 . 2]" 1
1212 1 11 ALA MB 1 12 GLN H . . 3.350 2.414 2.285 2.532 . 0 0 "[ . 1 . 2]" 1
1213 1 11 ALA MB 1 142 VAL QG . . 3.470 2.032 1.794 2.936 . 0 0 "[ . 1 . 2]" 1
1214 1 11 ALA MB 1 146 LEU QD . . 3.060 1.771 1.625 1.918 . 0 0 "[ . 1 . 2]" 1
1215 1 30 GLN QE 1 37 ALA MB . . 4.070 2.347 1.841 3.138 . 0 0 "[ . 1 . 2]" 1
1216 1 37 ALA H 1 37 ALA MB . . 2.690 2.150 2.031 2.269 . 0 0 "[ . 1 . 2]" 1
1217 1 37 ALA MB 1 38 PRO HD3 . . 3.120 3.118 3.060 3.170 0.050 12 0 "[ . 1 . 2]" 1
1218 1 68 ILE HG13 1 68 ILE MG . . 3.440 2.595 2.450 2.805 . 0 0 "[ . 1 . 2]" 1
1219 1 68 ILE MG 1 69 ASN H . . 3.980 3.275 3.024 3.460 . 0 0 "[ . 1 . 2]" 1
1220 1 68 ILE H 1 68 ILE MG . . 3.830 3.764 3.762 3.766 . 0 0 "[ . 1 . 2]" 1
1221 1 68 ILE MG 1 69 ASN HA . . 4.380 3.381 3.262 3.493 . 0 0 "[ . 1 . 2]" 1
1222 1 68 ILE HA 1 68 ILE MG . . 3.240 2.332 2.294 2.365 . 0 0 "[ . 1 . 2]" 1
1223 1 150 ILE MG 1 154 ILE H . . 5.310 3.795 3.459 3.944 . 0 0 "[ . 1 . 2]" 1
1224 1 150 ILE MG 1 151 ALA H . . 4.510 3.474 3.210 3.735 . 0 0 "[ . 1 . 2]" 1
1225 1 150 ILE H 1 150 ILE MG . . 4.100 3.774 3.738 3.794 . 0 0 "[ . 1 . 2]" 1
1226 1 150 ILE MG 1 153 TRP HE3 . . 4.760 3.587 3.272 3.822 . 0 0 "[ . 1 . 2]" 1
1227 1 145 MET HA 1 150 ILE MG . . 4.360 3.616 3.182 4.416 0.056 4 0 "[ . 1 . 2]" 1
1228 1 150 ILE HA 1 150 ILE MG . . 3.270 2.254 2.141 2.393 . 0 0 "[ . 1 . 2]" 1
1229 1 145 MET HG3 1 150 ILE MG . . 4.010 2.224 1.989 3.173 . 0 0 "[ . 1 . 2]" 1
1230 1 106 ILE MD 1 150 ILE MG . . 4.120 3.444 2.726 4.122 0.002 18 0 "[ . 1 . 2]" 1
1231 1 150 ILE MD 1 150 ILE MG . . 3.120 2.074 1.935 2.160 . 0 0 "[ . 1 . 2]" 1
1232 1 145 MET ME 1 160 TRP HE1 . . 4.030 3.858 2.998 4.054 0.024 6 0 "[ . 1 . 2]" 1
1233 1 145 MET ME 1 160 TRP HZ2 . . 3.200 2.113 1.905 2.467 . 0 0 "[ . 1 . 2]" 1
1234 1 14 THR MG 1 145 MET ME . . 3.330 2.083 1.806 2.718 . 0 0 "[ . 1 . 2]" 1
1235 1 111 VAL MG1 1 145 MET ME . . 3.070 2.547 2.178 3.050 . 0 0 "[ . 1 . 2]" 1
1236 1 141 VAL QG 1 145 MET ME . . 3.250 3.100 2.506 3.279 0.029 10 0 "[ . 1 . 2]" 1
1237 1 145 MET ME 1 150 ILE MG . . 3.030 2.314 1.845 3.008 . 0 0 "[ . 1 . 2]" 1
1238 1 145 MET ME 1 154 ILE MD . . 3.050 2.137 1.860 2.690 . 0 0 "[ . 1 . 2]" 1
1239 1 90 ALA MB 1 91 TYR HB3 . . 4.810 3.806 3.739 3.966 . 0 0 "[ . 1 . 2]" 1
1240 1 90 ALA MB 1 92 GLU H . . 4.770 4.326 4.240 4.377 . 0 0 "[ . 1 . 2]" 1
1241 1 90 ALA MB 1 140 PHE QE . . 3.230 2.504 1.922 3.083 . 0 0 "[ . 1 . 2]" 1
1242 1 90 ALA MB 1 140 PHE QD . . 4.690 3.463 3.121 3.820 . 0 0 "[ . 1 . 2]" 1
1243 1 90 ALA MB 1 91 TYR HA . . 4.610 3.778 3.704 3.810 . 0 0 "[ . 1 . 2]" 1
1244 1 119 TYR QD 1 122 ALA MB . . 5.500 3.896 2.807 4.738 . 0 0 "[ . 1 . 2]" 1
1245 1 122 ALA H 1 122 ALA MB . . 3.010 2.151 2.032 2.246 . 0 0 "[ . 1 . 2]" 1
1246 1 122 ALA MB 1 133 PHE QD . . 4.310 2.597 1.996 3.301 . 0 0 "[ . 1 . 2]" 1
1247 1 11 ALA MB 1 14 THR HB . . 4.260 4.103 4.010 4.210 . 0 0 "[ . 1 . 2]" 1
1248 1 122 ALA MB 1 137 VAL QG . . 3.110 1.669 1.576 1.780 . 0 0 "[ . 1 . 2]" 1
1249 1 121 LEU H 1 122 ALA MB . . 4.340 4.366 4.260 4.445 0.105 7 0 "[ . 1 . 2]" 1
1250 1 119 TYR H 1 122 ALA MB . . 5.150 4.635 4.481 5.019 . 0 0 "[ . 1 . 2]" 1
1251 1 87 ALA MB 1 88 GLU H . . 3.380 2.883 2.666 3.062 . 0 0 "[ . 1 . 2]" 1
1252 1 87 ALA MB 1 130 LEU QD . . 3.620 1.851 1.639 2.398 . 0 0 "[ . 1 . 2]" 1
1253 1 87 ALA MB 1 133 PHE QE . . 3.580 2.271 2.045 2.594 . 0 0 "[ . 1 . 2]" 1
1254 1 87 ALA H 1 87 ALA MB . . 2.970 2.113 2.052 2.258 . 0 0 "[ . 1 . 2]" 1
1255 1 163 ALA H 1 163 ALA MB . . 3.430 2.137 2.075 2.246 . 0 0 "[ . 1 . 2]" 1
1256 1 163 ALA MB 1 166 LEU MD1 . . 4.160 2.649 1.976 3.316 . 0 0 "[ . 1 . 2]" 1
1257 1 61 LEU H 1 163 ALA MB . . 4.580 4.189 3.564 4.594 0.014 18 0 "[ . 1 . 2]" 1
1258 1 62 ALA H 1 62 ALA MB . . 3.020 2.110 2.029 2.233 . 0 0 "[ . 1 . 2]" 1
1259 1 21 TYR QD 1 62 ALA MB . . 3.920 3.153 2.878 3.387 . 0 0 "[ . 1 . 2]" 1
1260 1 24 TYR HB3 1 62 ALA MB . . 3.890 3.059 2.527 3.342 . 0 0 "[ . 1 . 2]" 1
1261 1 97 ILE MG 1 117 PHE QE . . 4.470 2.413 2.210 2.729 . 0 0 "[ . 1 . 2]" 1
1262 1 97 ILE HA 1 97 ILE MG . . 3.720 2.213 2.115 2.291 . 0 0 "[ . 1 . 2]" 1
1263 1 97 ILE MD 1 97 ILE MG . . 3.200 2.209 2.093 2.302 . 0 0 "[ . 1 . 2]" 1
1264 1 97 ILE MG 1 101 LEU QD . . 3.930 3.492 3.100 3.777 . 0 0 "[ . 1 . 2]" 1
1265 1 76 PHE QD 1 79 MET ME . . 5.140 3.637 2.303 4.641 . 0 0 "[ . 1 . 2]" 1
1266 1 79 MET H 1 79 MET ME . . 4.860 4.268 3.889 4.737 . 0 0 "[ . 1 . 2]" 1
1267 1 76 PHE QE 1 79 MET ME . . 4.190 3.260 2.295 4.218 0.028 18 0 "[ . 1 . 2]" 1
1268 1 79 MET ME 1 80 LEU HA . . 3.810 3.097 2.000 4.070 0.260 17 0 "[ . 1 . 2]" 1
1269 1 79 MET ME 1 80 LEU QD . . 4.150 2.491 1.760 3.864 . 0 0 "[ . 1 . 2]" 1
1270 1 113 ALA H 1 113 ALA MB . . 3.040 2.202 2.095 2.234 . 0 0 "[ . 1 . 2]" 1
1271 1 113 ALA MB 1 114 LEU H . . 4.140 2.573 2.472 2.690 . 0 0 "[ . 1 . 2]" 1
1272 1 112 VAL HB 1 113 ALA MB . . 4.660 4.274 3.792 4.788 0.128 12 0 "[ . 1 . 2]" 1
1273 1 101 LEU QD 1 113 ALA MB . . 3.840 2.620 2.332 2.816 . 0 0 "[ . 1 . 2]" 1
1274 1 154 ILE MG 1 155 ALA MB . . 4.480 3.789 3.670 3.911 . 0 0 "[ . 1 . 2]" 1
1275 1 7 GLU H 1 155 ALA MB . . 4.450 3.956 3.252 4.258 . 0 0 "[ . 1 . 2]" 1
1276 1 25 ARG H 1 62 ALA MB . . 3.930 3.048 2.578 3.383 . 0 0 "[ . 1 . 2]" 1
1277 1 25 ARG HA 1 62 ALA MB . . 4.080 2.816 2.438 3.096 . 0 0 "[ . 1 . 2]" 1
1278 1 28 GLN HE22 1 62 ALA MB . . 4.670 3.578 2.985 4.089 . 0 0 "[ . 1 . 2]" 1
1279 1 63 ILE H 1 63 ILE MG . . 3.900 3.767 3.761 3.771 . 0 0 "[ . 1 . 2]" 1
1280 1 97 ILE H 1 97 ILE MG . . 4.290 3.721 3.701 3.735 . 0 0 "[ . 1 . 2]" 1
1281 1 97 ILE MG 1 98 ALA H . . 3.990 3.543 3.471 3.604 . 0 0 "[ . 1 . 2]" 1
1282 1 94 PHE HA 1 97 ILE MG . . 4.720 4.286 4.147 4.403 . 0 0 "[ . 1 . 2]" 1
1283 1 151 ALA MB 1 154 ILE MD . . 4.770 4.413 4.232 4.705 . 0 0 "[ . 1 . 2]" 1
1284 1 155 ALA H 1 155 ALA MB . . 3.110 2.075 2.025 2.208 . 0 0 "[ . 1 . 2]" 1
1285 1 155 ALA MB 1 156 GLN H . . 3.430 2.806 2.642 2.957 . 0 0 "[ . 1 . 2]" 1
1286 1 155 ALA HA 1 155 ALA MB . . 2.610 2.094 2.082 2.121 . 0 0 "[ . 1 . 2]" 1
1287 1 10 VAL MG2 1 155 ALA MB . . 3.330 2.143 1.864 2.428 . 0 0 "[ . 1 . 2]" 1
1288 1 61 LEU H 1 64 ILE MG . . 5.230 5.182 4.986 5.366 0.136 4 0 "[ . 1 . 2]" 1
1289 1 64 ILE H 1 64 ILE MG . . 3.570 2.401 2.305 2.622 . 0 0 "[ . 1 . 2]" 1
1290 1 64 ILE MG 1 65 GLY H . . 4.670 4.124 4.065 4.192 . 0 0 "[ . 1 . 2]" 1
1291 1 60 GLN HE22 1 64 ILE MG . . 4.460 3.438 1.896 4.466 0.006 18 0 "[ . 1 . 2]" 1
1292 1 64 ILE HA 1 64 ILE MG . . 3.070 2.236 2.170 2.290 . 0 0 "[ . 1 . 2]" 1
1293 1 64 ILE MG 1 167 GLY HA3 . . 3.600 2.247 1.954 2.974 . 0 0 "[ . 1 . 2]" 1
1294 1 64 ILE MD 1 64 ILE MG . . 2.780 2.075 1.930 2.280 . 0 0 "[ . 1 . 2]" 1
1295 1 63 ILE HA 1 63 ILE MG . . 3.000 2.321 2.294 2.355 . 0 0 "[ . 1 . 2]" 1
1296 1 63 ILE HG13 1 63 ILE MG . . 3.320 3.162 3.123 3.184 . 0 0 "[ . 1 . 2]" 1
1297 1 63 ILE MG 1 64 ILE MG . . 3.350 3.269 3.120 3.352 0.002 17 0 "[ . 1 . 2]" 1
1298 1 63 ILE MD 1 63 ILE MG . . 2.900 2.337 2.149 2.521 . 0 0 "[ . 1 . 2]" 1
1299 1 60 GLN HE22 1 63 ILE MG . . 4.660 3.277 2.618 4.215 . 0 0 "[ . 1 . 2]" 1
1300 1 94 PHE HA 1 98 ALA MB . . 4.870 4.806 4.670 4.909 0.039 8 0 "[ . 1 . 2]" 1
1301 1 11 ALA H 1 151 ALA MB . . 4.080 4.001 3.680 4.209 0.129 2 0 "[ . 1 . 2]" 1
1302 1 151 ALA H 1 151 ALA MB . . 3.120 2.135 2.029 2.236 . 0 0 "[ . 1 . 2]" 1
1303 1 146 LEU HA 1 151 ALA MB . . 3.360 2.412 1.939 3.137 . 0 0 "[ . 1 . 2]" 1
1304 1 7 GLU HA 1 151 ALA MB . . 3.560 2.280 1.925 3.298 . 0 0 "[ . 1 . 2]" 1
1305 1 145 MET HG3 1 151 ALA MB . . 4.180 4.960 4.013 5.270 1.090 18 17 "[****.***-* ***.**+**]" 1
1306 1 10 VAL HB 1 151 ALA MB . . 3.930 2.440 1.974 3.009 . 0 0 "[ . 1 . 2]" 1
1307 1 10 VAL MG1 1 151 ALA MB . . 3.420 2.427 2.013 2.843 . 0 0 "[ . 1 . 2]" 1
1308 1 150 ILE H 1 151 ALA MB . . 4.770 4.142 3.943 4.490 . 0 0 "[ . 1 . 2]" 1
1309 1 98 ALA MB 1 102 PHE QE . . 3.740 2.763 2.367 3.147 . 0 0 "[ . 1 . 2]" 1
1310 1 95 THR HA 1 98 ALA MB . . 3.880 3.111 2.943 3.326 . 0 0 "[ . 1 . 2]" 1
1311 1 98 ALA MB 1 102 PHE QD . . 5.130 2.705 2.495 2.998 . 0 0 "[ . 1 . 2]" 1
1312 1 106 ILE MG 1 107 ASN H . . 3.510 2.315 1.959 3.065 . 0 0 "[ . 1 . 2]" 1
1313 1 106 ILE MG 1 107 ASN HA . . 4.750 3.606 3.351 3.772 . 0 0 "[ . 1 . 2]" 1
1314 1 106 ILE HA 1 106 ILE MG . . 3.610 2.277 2.212 2.318 . 0 0 "[ . 1 . 2]" 1
1315 1 106 ILE MG 1 150 ILE MG . . 3.720 2.811 2.353 3.263 . 0 0 "[ . 1 . 2]" 1
1316 1 106 ILE MD 1 106 ILE MG . . 3.170 1.995 1.907 2.096 . 0 0 "[ . 1 . 2]" 1
1317 1 106 ILE MG 1 111 VAL MG1 . . 5.500 4.759 4.578 4.898 . 0 0 "[ . 1 . 2]" 1
1318 1 154 ILE MG 1 155 ALA H . . 4.560 3.121 2.999 3.261 . 0 0 "[ . 1 . 2]" 1
1319 1 154 ILE H 1 154 ILE MG . . 3.780 3.744 3.719 3.757 . 0 0 "[ . 1 . 2]" 1
1320 1 154 ILE MG 1 160 TRP HD1 . . 4.530 3.128 2.838 3.385 . 0 0 "[ . 1 . 2]" 1
1321 1 153 TRP HE3 1 154 ILE MG . . 5.100 3.965 3.912 4.021 . 0 0 "[ . 1 . 2]" 1
1322 1 154 ILE MG 1 159 GLY HA2 . . 3.310 1.974 1.948 2.074 . 0 0 "[ . 1 . 2]" 1
1323 1 151 ALA HA 1 154 ILE MG . . 4.980 4.371 4.209 4.611 . 0 0 "[ . 1 . 2]" 1
1324 1 154 ILE MG 1 155 ALA HA . . 4.030 3.126 3.037 3.228 . 0 0 "[ . 1 . 2]" 1
1325 1 154 ILE MG 1 159 GLY HA3 . . 3.630 3.488 3.454 3.589 . 0 0 "[ . 1 . 2]" 1
1326 1 154 ILE HA 1 154 ILE MG . . 3.540 2.484 2.452 2.527 . 0 0 "[ . 1 . 2]" 1
1327 1 145 MET ME 1 154 ILE MG . . 4.650 4.415 3.820 4.786 0.136 10 0 "[ . 1 . 2]" 1
1328 1 154 ILE MD 1 154 ILE MG . . 3.380 1.941 1.883 1.985 . 0 0 "[ . 1 . 2]" 1
1329 1 64 ILE H 1 64 ILE MD . . 4.070 3.598 3.525 3.634 . 0 0 "[ . 1 . 2]" 1
1330 1 97 ILE MD 1 98 ALA H . . 4.290 4.243 4.212 4.297 0.007 8 0 "[ . 1 . 2]" 1
1331 1 94 PHE HA 1 97 ILE MD . . 4.100 3.805 3.637 3.920 . 0 0 "[ . 1 . 2]" 1
1332 1 106 ILE MD 1 153 TRP HE1 . . 4.640 4.573 4.376 4.667 0.027 6 0 "[ . 1 . 2]" 1
1333 1 106 ILE H 1 106 ILE MD . . 4.170 3.914 3.738 4.187 0.017 19 0 "[ . 1 . 2]" 1
1334 1 102 PHE QD 1 106 ILE MD . . 4.210 4.017 3.720 4.219 0.009 5 0 "[ . 1 . 2]" 1
1335 1 106 ILE HA 1 106 ILE MD . . 4.000 3.874 3.861 3.890 . 0 0 "[ . 1 . 2]" 1
1336 1 106 ILE MD 1 150 ILE HA . . 3.750 2.507 1.962 3.007 . 0 0 "[ . 1 . 2]" 1
1337 1 106 ILE MD 1 153 TRP HB3 . . 3.680 3.083 2.700 3.444 . 0 0 "[ . 1 . 2]" 1
1338 1 106 ILE MD 1 154 ILE H . . 5.320 5.039 4.593 5.336 0.016 4 0 "[ . 1 . 2]" 1
1339 1 63 ILE H 1 64 ILE MD . . 5.040 5.037 4.953 5.101 0.061 8 0 "[ . 1 . 2]" 1
1340 1 64 ILE HB 1 64 ILE MD . . 3.170 2.335 2.186 2.415 . 0 0 "[ . 1 . 2]" 1
1341 1 64 ILE MD 1 167 GLY H . . 4.370 4.093 3.424 4.404 0.034 18 0 "[ . 1 . 2]" 1
1342 1 64 ILE MD 1 112 VAL HB . . 4.160 3.802 3.494 4.147 . 0 0 "[ . 1 . 2]" 1
1343 1 64 ILE MD 1 65 GLY HA3 . . 5.010 4.715 4.522 4.896 . 0 0 "[ . 1 . 2]" 1
1344 1 63 ILE MD 1 168 ASN H . . 5.500 4.634 3.797 5.384 . 0 0 "[ . 1 . 2]" 1
1345 1 63 ILE H 1 63 ILE MD . . 4.060 3.316 3.182 3.573 . 0 0 "[ . 1 . 2]" 1
1346 1 28 GLN HE22 1 63 ILE MD . . 4.980 4.787 4.254 5.002 0.022 3 0 "[ . 1 . 2]" 1
1347 1 60 GLN HA 1 63 ILE MD . . 3.200 1.972 1.891 2.333 . 0 0 "[ . 1 . 2]" 1
1348 1 59 ARG HA 1 63 ILE MD . . 5.130 4.115 3.881 4.540 . 0 0 "[ . 1 . 2]" 1
1349 1 59 ARG HD3 1 63 ILE MD . . 4.450 4.259 3.486 4.700 0.250 14 0 "[ . 1 . 2]" 1
1350 1 63 ILE HB 1 63 ILE MD . . 3.490 2.163 2.081 2.302 . 0 0 "[ . 1 . 2]" 1
1351 1 153 TRP HE3 1 154 ILE MD . . 4.190 3.628 3.584 3.724 . 0 0 "[ . 1 . 2]" 1
1352 1 154 ILE H 1 154 ILE MD . . 4.010 3.727 3.695 3.809 . 0 0 "[ . 1 . 2]" 1
1353 1 154 ILE MD 1 160 TRP HZ2 . . 4.160 2.501 2.384 2.673 . 0 0 "[ . 1 . 2]" 1
1354 1 154 ILE MD 1 160 TRP HH2 . . 3.940 3.471 3.239 3.644 . 0 0 "[ . 1 . 2]" 1
1355 1 151 ALA HA 1 154 ILE MD . . 3.740 3.285 3.049 3.590 . 0 0 "[ . 1 . 2]" 1
1356 1 154 ILE HA 1 154 ILE MD . . 4.130 3.750 3.722 3.770 . 0 0 "[ . 1 . 2]" 1
1357 1 154 ILE HB 1 154 ILE MD . . 3.610 2.427 2.396 2.464 . 0 0 "[ . 1 . 2]" 1
1358 1 10 VAL MG1 1 154 ILE MD . . 4.180 2.439 2.141 2.654 . 0 0 "[ . 1 . 2]" 1
1359 1 150 ILE MG 1 154 ILE MD . . 3.840 2.672 2.204 2.965 . 0 0 "[ . 1 . 2]" 1
1360 1 68 ILE MD 1 72 TYR QE . . 4.020 3.481 2.721 3.828 . 0 0 "[ . 1 . 2]" 1
1361 1 68 ILE HA 1 68 ILE MD . . 2.990 2.388 2.157 2.783 . 0 0 "[ . 1 . 2]" 1
1362 1 68 ILE MD 1 71 ARG HD3 . . 5.420 3.596 2.645 4.670 . 0 0 "[ . 1 . 2]" 1
1363 1 68 ILE HB 1 68 ILE MD . . 3.350 3.169 3.076 3.211 . 0 0 "[ . 1 . 2]" 1
1364 1 68 ILE MD 1 68 ILE MG . . 3.070 1.865 1.746 1.953 . 0 0 "[ . 1 . 2]" 1
1365 1 68 ILE MD 1 69 ASN H . . 4.820 4.766 4.671 4.866 0.046 10 0 "[ . 1 . 2]" 1
1366 1 154 ILE MD 1 159 GLY HA2 . . 5.050 4.902 4.840 5.018 . 0 0 "[ . 1 . 2]" 1
1367 1 68 ILE H 1 68 ILE MD . . 4.320 3.583 3.365 3.750 . 0 0 "[ . 1 . 2]" 1
1368 1 150 ILE MD 1 151 ALA H . . 4.710 4.523 4.341 4.651 . 0 0 "[ . 1 . 2]" 1
1369 1 150 ILE H 1 150 ILE MD . . 3.720 3.071 2.365 3.643 . 0 0 "[ . 1 . 2]" 1
1370 1 145 MET HA 1 150 ILE MD . . 4.620 4.276 3.777 4.810 0.190 4 0 "[ . 1 . 2]" 1
1371 1 150 ILE HA 1 150 ILE MD . . 3.690 2.103 1.969 2.259 . 0 0 "[ . 1 . 2]" 1
1372 1 106 ILE MD 1 150 ILE MD . . 3.260 1.979 1.795 2.173 . 0 0 "[ . 1 . 2]" 1
1373 1 106 ILE MG 1 150 ILE MD . . 3.970 2.314 1.824 2.845 . 0 0 "[ . 1 . 2]" 1
1374 1 145 MET ME 1 150 ILE MD . . 5.500 4.572 3.755 5.213 . 0 0 "[ . 1 . 2]" 1
1375 1 145 MET HG3 1 150 ILE MD . . 5.340 4.079 3.715 5.022 . 0 0 "[ . 1 . 2]" 1
1376 1 128 HIS HA 1 128 HIS HE1 . . 4.820 4.763 4.385 5.038 0.218 2 0 "[ . 1 . 2]" 1
1377 1 81 GLN HA 1 124 HIS HE1 . . 3.350 2.871 2.009 3.372 0.022 20 0 "[ . 1 . 2]" 1
1378 1 81 GLN H 1 124 HIS HE1 . . 4.640 3.828 3.007 4.654 0.014 7 0 "[ . 1 . 2]" 1
1379 1 124 HIS HA 1 124 HIS HE1 . . 5.100 5.088 4.782 5.164 0.064 20 0 "[ . 1 . 2]" 1
1380 1 81 GLN QE 1 124 HIS HE1 . . 4.870 2.551 1.981 4.710 . 0 0 "[ . 1 . 2]" 1
1381 1 78 THR MG 1 82 HIS HE1 . . 3.610 3.624 3.609 3.642 0.032 2 0 "[ . 1 . 2]" 1
1382 1 143 ASP HB3 1 147 HIS HE1 . . 4.690 4.689 3.754 6.191 1.501 20 3 "[ . 1- . * +]" 1
1383 1 99 THR HA 1 148 HIS HE1 . . 4.750 4.771 4.733 4.806 0.056 4 0 "[ . 1 . 2]" 1
1384 1 148 HIS HA 1 148 HIS HE1 . . 4.520 4.553 4.439 4.614 0.094 19 0 "[ . 1 . 2]" 1
1385 1 99 THR MG 1 148 HIS HE1 . . 4.000 3.577 3.173 3.842 . 0 0 "[ . 1 . 2]" 1
1386 1 24 TYR HB3 1 24 TYR QD . . 3.490 2.444 2.304 2.737 . 0 0 "[ . 1 . 2]" 1
1387 1 24 TYR QD 1 27 GLN HB3 . . 5.000 4.272 3.170 5.122 0.122 9 0 "[ . 1 . 2]" 1
1388 1 23 PHE QE 1 24 TYR QD . . 4.340 3.797 3.368 4.357 0.017 17 0 "[ . 1 . 2]" 1
1389 1 24 TYR QD 1 59 ARG HB3 . . 4.140 4.106 3.596 4.879 0.739 14 3 "[- . 1 +. * 2]" 1
1390 1 24 TYR H 1 24 TYR QD . . 3.880 2.903 2.566 3.546 . 0 0 "[ . 1 . 2]" 1
1391 1 24 TYR QD 1 62 ALA MB . . 4.020 4.001 3.866 4.068 0.048 16 0 "[ . 1 . 2]" 1
1392 1 23 PHE QD 1 24 TYR QD . . 4.310 2.697 1.984 3.792 . 0 0 "[ . 1 . 2]" 1
1393 1 72 TYR HA 1 72 TYR QD . . 3.500 3.090 2.781 3.173 . 0 0 "[ . 1 . 2]" 1
1394 1 71 ARG HB3 1 72 TYR QD . . 4.370 2.562 2.141 3.738 . 0 0 "[ . 1 . 2]" 1
1395 1 68 ILE MG 1 72 TYR QD . . 3.380 2.958 2.421 3.289 . 0 0 "[ . 1 . 2]" 1
1396 1 72 TYR H 1 72 TYR QD . . 3.830 2.243 1.997 2.663 . 0 0 "[ . 1 . 2]" 1
1397 1 101 LEU HB3 1 102 PHE QD . . 4.740 3.128 2.571 3.749 . 0 0 "[ . 1 . 2]" 1
1398 1 102 PHE QD 1 150 ILE MD . . 4.100 2.993 2.471 3.445 . 0 0 "[ . 1 . 2]" 1
1399 1 102 PHE QD 1 106 ILE MG . . 3.910 2.458 2.252 2.741 . 0 0 "[ . 1 . 2]" 1
1400 1 133 PHE HA 1 133 PHE QD . . 3.660 2.219 1.984 3.028 . 0 0 "[ . 1 . 2]" 1
1401 1 122 ALA HA 1 133 PHE QD . . 4.010 3.461 1.990 4.054 0.044 20 0 "[ . 1 . 2]" 1
1402 1 133 PHE QD 1 137 VAL QG . . 3.520 2.492 1.877 2.996 . 0 0 "[ . 1 . 2]" 1
1403 1 130 LEU QD 1 133 PHE QD . . 3.720 2.556 1.901 3.335 . 0 0 "[ . 1 . 2]" 1
1404 1 87 ALA HA 1 133 PHE QD . . 4.290 4.255 3.954 4.400 0.110 5 0 "[ . 1 . 2]" 1
1405 1 21 TYR HA 1 21 TYR QD . . 3.890 2.954 2.877 3.053 . 0 0 "[ . 1 . 2]" 1
1406 1 76 PHE H 1 76 PHE QD . . 4.320 4.027 3.699 4.224 . 0 0 "[ . 1 . 2]" 1
1407 1 91 TYR QD 1 140 PHE HZ . . 4.600 2.872 2.790 3.027 . 0 0 "[ . 1 . 2]" 1
1408 1 91 TYR QD 1 92 GLU HA . . 4.410 3.028 2.963 3.104 . 0 0 "[ . 1 . 2]" 1
1409 1 91 TYR H 1 91 TYR QD . . 3.920 2.157 2.099 2.215 . 0 0 "[ . 1 . 2]" 1
1410 1 91 TYR QD 1 140 PHE QE . . 4.600 3.221 2.881 3.393 . 0 0 "[ . 1 . 2]" 1
1411 1 91 TYR QD 1 95 THR MG . . 4.710 2.902 2.641 3.242 . 0 0 "[ . 1 . 2]" 1
1412 1 90 ALA MB 1 91 TYR QD . . 4.680 3.393 3.281 3.574 . 0 0 "[ . 1 . 2]" 1
1413 1 90 ALA MB 1 133 PHE QD . . 4.300 4.296 3.838 4.464 0.164 19 0 "[ . 1 . 2]" 1
1414 1 125 VAL QG 1 133 PHE QD . . 3.660 3.020 2.438 3.596 . 0 0 "[ . 1 . 2]" 1
1415 1 91 TYR QD 1 92 GLU H . . 3.880 3.080 3.034 3.192 . 0 0 "[ . 1 . 2]" 1
1416 1 18 PHE HA 1 18 PHE QD . . 4.020 2.907 2.574 3.165 . 0 0 "[ . 1 . 2]" 1
1417 1 18 PHE QD 1 115 LEU HB3 . . 4.140 2.171 1.946 2.998 . 0 0 "[ . 1 . 2]" 1
1418 1 94 PHE QD 1 140 PHE QD . . 4.250 4.186 3.503 4.279 0.029 20 0 "[ . 1 . 2]" 1
1419 1 20 SER HA 1 23 PHE QD . . 3.880 2.966 2.802 3.256 . 0 0 "[ . 1 . 2]" 1
1420 1 126 TYR H 1 126 TYR QD . . 4.030 3.776 2.244 4.137 0.107 4 0 "[ . 1 . 2]" 1
1421 1 94 PHE QD 1 97 ILE MD . . 5.500 5.199 5.014 5.460 . 0 0 "[ . 1 . 2]" 1
1422 1 94 PHE HA 1 94 PHE QD . . 3.770 2.488 2.315 2.753 . 0 0 "[ . 1 . 2]" 1
1423 1 94 PHE QD 1 95 THR HA . . 3.880 3.696 3.299 3.905 0.025 6 0 "[ . 1 . 2]" 1
1424 1 94 PHE QD 1 95 THR MG . . 3.400 2.828 2.349 3.139 . 0 0 "[ . 1 . 2]" 1
1425 1 94 PHE QD 1 140 PHE HB3 . . 4.210 2.589 2.318 3.164 . 0 0 "[ . 1 . 2]" 1
1426 1 94 PHE QD 1 140 PHE HA . . 4.800 4.720 4.485 4.832 0.032 6 0 "[ . 1 . 2]" 1
1427 1 23 PHE H 1 23 PHE QD . . 4.250 4.129 3.969 4.173 . 0 0 "[ . 1 . 2]" 1
1428 1 23 PHE QD 1 48 LEU QD . . 4.110 2.098 1.891 2.540 . 0 0 "[ . 1 . 2]" 1
1429 1 18 PHE QE 1 119 TYR HB3 . . 4.560 5.080 4.711 5.618 1.058 6 11 "[ *-*.+* *1 * * ***]" 1
1430 1 18 PHE QE 1 119 TYR H . . 4.490 3.428 3.088 4.109 . 0 0 "[ . 1 . 2]" 1
1431 1 18 PHE QE 1 141 VAL QG . . 4.910 3.024 2.171 3.632 . 0 0 "[ . 1 . 2]" 1
1432 1 18 PHE HA 1 18 PHE QE . . 4.870 4.737 4.633 4.802 . 0 0 "[ . 1 . 2]" 1
1433 1 80 LEU QD 1 117 PHE QD . . 4.420 3.419 2.822 3.853 . 0 0 "[ . 1 . 2]" 1
1434 1 114 LEU QD 1 117 PHE QD . . 4.130 3.496 3.237 3.663 . 0 0 "[ . 1 . 2]" 1
1435 1 18 PHE QE 1 137 VAL QG . . 3.880 2.944 2.403 3.613 . 0 0 "[ . 1 . 2]" 1
1436 1 18 PHE QE 1 115 LEU HA . . 4.710 2.075 1.978 2.448 . 0 0 "[ . 1 . 2]" 1
1437 1 117 PHE H 1 117 PHE QD . . 4.750 2.613 2.568 2.692 . 0 0 "[ . 1 . 2]" 1
1438 1 117 PHE HA 1 117 PHE QD . . 4.010 3.580 3.543 3.592 . 0 0 "[ . 1 . 2]" 1
1439 1 117 PHE QD 1 121 LEU H . . 4.690 3.785 3.517 4.098 . 0 0 "[ . 1 . 2]" 1
1440 1 101 LEU QD 1 117 PHE QD . . 4.530 3.543 3.383 3.669 . 0 0 "[ . 1 . 2]" 1
1441 1 98 ALA MB 1 117 PHE QE . . 4.920 3.941 3.441 4.466 . 0 0 "[ . 1 . 2]" 1
1442 1 91 TYR HB3 1 140 PHE QE . . 4.180 2.909 2.344 3.255 . 0 0 "[ . 1 . 2]" 1
1443 1 137 VAL HA 1 140 PHE QE . . 4.500 4.020 3.456 4.640 0.140 3 0 "[ . 1 . 2]" 1
1444 1 114 LEU HA 1 117 PHE QE . . 4.680 1.989 1.963 2.031 . 0 0 "[ . 1 . 2]" 1
1445 1 101 LEU QD 1 117 PHE QE . . 4.110 3.093 2.855 3.524 . 0 0 "[ . 1 . 2]" 1
1446 1 114 LEU QD 1 117 PHE QE . . 4.100 1.959 1.882 2.104 . 0 0 "[ . 1 . 2]" 1
1447 1 114 LEU HB3 1 117 PHE QE . . 4.650 4.400 4.261 4.518 . 0 0 "[ . 1 . 2]" 1
1448 1 90 ALA MB 1 133 PHE QE . . 3.500 2.506 1.897 2.767 . 0 0 "[ . 1 . 2]" 1
1449 1 133 PHE QE 1 136 GLN HB3 . . 4.160 3.884 3.000 4.878 0.718 3 1 "[ + . 1 . 2]" 1
1450 1 133 PHE QE 1 137 VAL QG . . 3.580 2.832 2.358 3.187 . 0 0 "[ . 1 . 2]" 1
1451 1 102 PHE QE 1 111 VAL MG2 . . 3.260 2.507 2.255 2.728 . 0 0 "[ . 1 . 2]" 1
1452 1 102 PHE QE 1 114 LEU HB3 . . 3.890 3.898 3.532 4.425 0.535 4 2 "[ +. -1 . 2]" 1
1453 1 102 PHE QE 1 106 ILE MG . . 3.780 2.953 2.663 3.342 . 0 0 "[ . 1 . 2]" 1
1454 1 102 PHE QE 1 111 VAL HA . . 3.740 3.003 2.780 3.224 . 0 0 "[ . 1 . 2]" 1
1455 1 94 PHE QE 1 141 VAL QG . . 4.240 2.673 2.385 2.973 . 0 0 "[ . 1 . 2]" 1
1456 1 83 LEU HG 1 93 TYR QD . . 4.750 4.604 4.234 4.836 0.086 18 0 "[ . 1 . 2]" 1
1457 1 130 LEU QD 1 133 PHE QE . . 4.050 3.057 2.288 3.633 . 0 0 "[ . 1 . 2]" 1
1458 1 133 PHE HA 1 133 PHE QE . . 4.640 4.237 4.126 4.508 . 0 0 "[ . 1 . 2]" 1
1459 1 133 PHE HB3 1 133 PHE QE . . 4.520 4.380 4.369 4.457 . 0 0 "[ . 1 . 2]" 1
1460 1 144 PHE QE 1 145 MET HA . . 4.320 3.876 3.468 4.182 . 0 0 "[ . 1 . 2]" 1
1461 1 144 PHE HB3 1 144 PHE QE . . 4.570 4.404 4.392 4.421 . 0 0 "[ . 1 . 2]" 1
1462 1 102 PHE QE 1 114 LEU H . . 4.890 4.563 4.247 4.898 0.008 9 0 "[ . 1 . 2]" 1
1463 1 101 LEU QD 1 102 PHE QE . . 3.930 3.201 2.645 3.546 . 0 0 "[ . 1 . 2]" 1
1464 1 102 PHE QE 1 114 LEU HA . . 4.900 4.236 3.835 4.731 . 0 0 "[ . 1 . 2]" 1
1465 1 94 PHE QE 1 141 VAL HA . . 4.070 2.066 1.976 2.500 . 0 0 "[ . 1 . 2]" 1
1466 1 137 VAL QG 1 140 PHE QD . . 4.670 3.275 3.075 3.895 . 0 0 "[ . 1 . 2]" 1
1467 1 93 TYR H 1 93 TYR QD . . 3.820 3.103 2.674 3.262 . 0 0 "[ . 1 . 2]" 1
1468 1 86 THR H 1 93 TYR QD . . 4.130 3.084 2.696 3.313 . 0 0 "[ . 1 . 2]" 1
1469 1 83 LEU MD1 1 93 TYR QD . . 3.910 3.574 2.925 3.957 0.047 6 0 "[ . 1 . 2]" 1
1470 1 90 ALA HA 1 93 TYR QD . . 4.320 3.102 2.726 3.390 . 0 0 "[ . 1 . 2]" 1
1471 1 85 PRO HA 1 93 TYR QD . . 3.820 3.381 2.880 3.851 0.031 2 0 "[ . 1 . 2]" 1
1472 1 85 PRO HB3 1 93 TYR QD . . 4.180 2.369 1.991 2.869 . 0 0 "[ . 1 . 2]" 1
1473 1 98 ALA MB 1 117 PHE HZ . . 4.450 3.559 2.918 4.068 . 0 0 "[ . 1 . 2]" 1
1474 1 23 PHE HZ 1 48 LEU QD . . 4.990 4.111 3.183 5.005 0.015 18 0 "[ . 1 . 2]" 1
1475 1 23 PHE HZ 1 27 GLN HG3 . . 4.660 4.181 3.553 4.666 0.006 12 0 "[ . 1 . 2]" 1
1476 1 98 ALA HA 1 117 PHE HZ . . 4.690 4.006 3.589 4.375 . 0 0 "[ . 1 . 2]" 1
1477 1 90 ALA MB 1 133 PHE HZ . . 3.600 1.946 1.866 2.276 . 0 0 "[ . 1 . 2]" 1
1478 1 90 ALA H 1 133 PHE HZ . . 4.810 4.268 3.695 4.576 . 0 0 "[ . 1 . 2]" 1
1479 1 130 LEU QD 1 133 PHE HZ . . 4.540 3.995 3.459 4.458 . 0 0 "[ . 1 . 2]" 1
1480 1 90 ALA MB 1 140 PHE HZ . . 3.620 3.650 3.580 3.695 0.075 16 0 "[ . 1 . 2]" 1
1481 1 94 PHE HZ 1 141 VAL HA . . 4.310 2.551 2.165 3.223 . 0 0 "[ . 1 . 2]" 1
1482 1 18 PHE HZ 1 137 VAL QG . . 3.380 2.453 1.942 3.061 . 0 0 "[ . 1 . 2]" 1
1483 1 18 PHE HZ 1 137 VAL HB . . 4.420 4.259 3.447 4.473 0.053 3 0 "[ . 1 . 2]" 1
1484 1 18 PHE HZ 1 119 TYR HA . . 4.470 3.129 2.814 3.448 . 0 0 "[ . 1 . 2]" 1
1485 1 87 ALA H 1 133 PHE HZ . . 5.030 4.978 4.305 5.092 0.062 4 0 "[ . 1 . 2]" 1
1486 1 91 TYR HB3 1 140 PHE HZ . . 4.300 3.559 3.243 3.850 . 0 0 "[ . 1 . 2]" 1
1487 1 101 LEU QD 1 102 PHE HZ . . 4.740 3.658 3.338 4.010 . 0 0 "[ . 1 . 2]" 1
1488 1 102 PHE HZ 1 114 LEU QD . . 4.070 2.379 1.961 2.819 . 0 0 "[ . 1 . 2]" 1
1489 1 102 PHE HZ 1 111 VAL MG2 . . 3.390 3.455 3.391 3.497 0.107 6 0 "[ . 1 . 2]" 1
1490 1 18 PHE HZ 1 141 VAL QG . . 4.570 3.606 3.021 4.033 . 0 0 "[ . 1 . 2]" 1
1491 1 18 PHE HZ 1 22 VAL QG . . 4.390 3.410 2.882 4.220 . 0 0 "[ . 1 . 2]" 1
1492 1 87 ALA MB 1 133 PHE HZ . . 4.090 3.502 2.808 4.109 0.019 1 0 "[ . 1 . 2]" 1
1493 1 133 PHE HZ 1 137 VAL QG . . 4.390 4.075 3.528 4.437 0.047 20 0 "[ . 1 . 2]" 1
1494 1 102 PHE HZ 1 114 LEU HA . . 4.520 4.531 4.379 4.606 0.086 12 0 "[ . 1 . 2]" 1
1495 1 108 TRP HD1 1 153 TRP HH2 . . 4.320 3.704 3.487 3.975 . 0 0 "[ . 1 . 2]" 1
1496 1 108 TRP HD1 1 166 LEU MD2 . . 4.080 3.214 2.493 3.729 . 0 0 "[ . 1 . 2]" 1
1497 1 108 TRP HA 1 108 TRP HD1 . . 4.390 4.368 4.321 4.406 0.016 19 0 "[ . 1 . 2]" 1
1498 1 108 TRP HD1 1 166 LEU MD1 . . 4.470 3.620 3.228 4.095 . 0 0 "[ . 1 . 2]" 1
1499 1 108 TRP HD1 1 153 TRP HZ2 . . 4.610 4.380 4.212 4.622 0.012 7 0 "[ . 1 . 2]" 1
1500 1 160 TRP HA 1 160 TRP HD1 . . 4.350 4.129 4.022 4.216 . 0 0 "[ . 1 . 2]" 1
1501 1 10 VAL MG1 1 160 TRP HD1 . . 4.000 3.207 2.999 3.402 . 0 0 "[ . 1 . 2]" 1
1502 1 13 ASP HB3 1 160 TRP HD1 . . 3.770 2.298 2.082 2.510 . 0 0 "[ . 1 . 2]" 1
1503 1 13 ASP H 1 160 TRP HD1 . . 4.490 4.387 4.285 4.500 0.010 2 0 "[ . 1 . 2]" 1
1504 1 153 TRP HA 1 153 TRP HD1 . . 4.000 3.259 3.232 3.328 . 0 0 "[ . 1 . 2]" 1
1505 1 106 ILE MG 1 153 TRP HD1 . . 4.030 3.656 3.301 3.942 . 0 0 "[ . 1 . 2]" 1
1506 1 153 TRP HB3 1 153 TRP HD1 . . 3.740 3.804 3.791 3.811 0.071 17 0 "[ . 1 . 2]" 1
1507 1 160 TRP H 1 160 TRP HD1 . . 4.590 2.665 2.438 2.922 . 0 0 "[ . 1 . 2]" 1
1508 1 106 ILE MD 1 153 TRP HD1 . . 3.530 3.085 2.720 3.370 . 0 0 "[ . 1 . 2]" 1
1509 1 108 TRP HH2 1 160 TRP HA . . 4.080 2.472 2.208 2.604 . 0 0 "[ . 1 . 2]" 1
1510 1 108 TRP HH2 1 163 ALA MB . . 4.240 3.198 2.610 4.261 0.021 1 0 "[ . 1 . 2]" 1
1511 1 108 TRP HH2 1 160 TRP HE3 . . 4.330 4.269 3.958 4.358 0.028 2 0 "[ . 1 . 2]" 1
1512 1 108 TRP HH2 1 154 ILE MD . . 4.210 4.247 4.219 4.268 0.058 4 0 "[ . 1 . 2]" 1
1513 1 108 TRP HH2 1 154 ILE MG . . 3.680 2.745 2.601 2.911 . 0 0 "[ . 1 . 2]" 1
1514 1 108 TRP HH2 1 162 ALA H . . 4.230 3.833 3.596 4.229 . 0 0 "[ . 1 . 2]" 1
1515 1 108 TRP H 1 153 TRP HH2 . . 4.160 2.493 2.449 2.620 . 0 0 "[ . 1 . 2]" 1
1516 1 14 THR HA 1 160 TRP HH2 . . 4.420 4.287 4.043 4.444 0.024 11 0 "[ . 1 . 2]" 1
1517 1 14 THR MG 1 160 TRP HH2 . . 4.350 3.660 3.182 3.902 . 0 0 "[ . 1 . 2]" 1
1518 1 108 TRP HA 1 153 TRP HH2 . . 3.740 2.138 2.069 2.170 . 0 0 "[ . 1 . 2]" 1
1519 1 107 ASN HA 1 153 TRP HH2 . . 4.470 3.419 3.336 3.471 . 0 0 "[ . 1 . 2]" 1
1520 1 17 VAL MG1 1 160 TRP HH2 . . 4.420 3.760 3.364 4.049 . 0 0 "[ . 1 . 2]" 1
1521 1 115 LEU QD 1 160 TRP HH2 . . 4.010 2.351 2.068 2.758 . 0 0 "[ . 1 . 2]" 1
1522 1 111 VAL MG1 1 160 TRP HH2 . . 3.730 2.258 1.940 2.629 . 0 0 "[ . 1 . 2]" 1
1523 1 145 MET ME 1 160 TRP HH2 . . 3.800 3.048 2.590 3.816 0.016 16 0 "[ . 1 . 2]" 1
1524 1 17 VAL HB 1 160 TRP HZ3 . . 4.950 4.357 4.114 4.943 . 0 0 "[ . 1 . 2]" 1
1525 1 115 LEU QD 1 160 TRP HZ3 . . 3.700 2.996 2.567 3.473 . 0 0 "[ . 1 . 2]" 1
1526 1 108 TRP HZ3 1 160 TRP HE3 . . 4.450 3.586 3.440 3.849 . 0 0 "[ . 1 . 2]" 1
1527 1 108 TRP HZ3 1 111 VAL MG1 . . 4.070 3.178 2.961 3.423 . 0 0 "[ . 1 . 2]" 1
1528 1 108 TRP HZ3 1 154 ILE MD . . 4.560 3.734 3.632 3.858 . 0 0 "[ . 1 . 2]" 1
1529 1 108 TRP HZ3 1 160 TRP HA . . 4.490 3.793 3.575 4.007 . 0 0 "[ . 1 . 2]" 1
1530 1 154 ILE MD 1 160 TRP HE3 . . 4.520 4.553 4.417 4.591 0.071 16 0 "[ . 1 . 2]" 1
1531 1 160 TRP HE3 1 163 ALA MB . . 4.230 3.053 2.363 3.563 . 0 0 "[ . 1 . 2]" 1
1532 1 99 THR HA 1 148 HIS HD2 . . 4.920 3.403 2.914 3.801 . 0 0 "[ . 1 . 2]" 1
1533 1 26 HIS HD2 1 37 ALA MB . . 4.720 3.740 1.976 4.773 0.053 4 0 "[ . 1 . 2]" 1
1534 1 26 HIS HA 1 26 HIS HD2 . . 4.580 3.901 2.361 4.586 0.006 20 0 "[ . 1 . 2]" 1
1535 1 26 HIS HD2 1 37 ALA HA . . 4.560 3.409 2.284 4.565 0.005 12 0 "[ . 1 . 2]" 1
1536 1 108 TRP HE3 1 111 VAL MG2 . . 4.040 3.543 3.340 3.797 . 0 0 "[ . 1 . 2]" 1
1537 1 108 TRP HE3 1 166 LEU MD1 . . 4.840 3.402 2.685 3.816 . 0 0 "[ . 1 . 2]" 1
1538 1 82 HIS HA 1 82 HIS HD2 . . 3.810 2.614 2.582 2.638 . 0 0 "[ . 1 . 2]" 1
1539 1 81 GLN H 1 82 HIS HD2 . . 4.240 4.275 4.249 4.310 0.070 2 0 "[ . 1 . 2]" 1
1540 1 128 HIS H 1 128 HIS HD2 . . 4.690 4.646 4.268 4.931 0.241 2 0 "[ . 1 . 2]" 1
1541 1 128 HIS HA 1 128 HIS HD2 . . 4.690 4.210 3.858 4.724 0.034 2 0 "[ . 1 . 2]" 1
1542 1 124 HIS H 1 124 HIS HD2 . . 4.780 3.730 3.088 4.643 . 0 0 "[ . 1 . 2]" 1
1543 1 126 TYR QE 1 127 GLN HE21 . . 4.940 4.177 2.556 4.949 0.009 6 0 "[ . 1 . 2]" 1
1544 1 123 LEU QD 1 126 TYR QE . . 3.500 3.169 1.952 3.513 0.013 12 0 "[ . 1 . 2]" 1
1545 1 23 PHE QD 1 24 TYR QE . . 4.380 3.190 2.510 4.404 0.024 14 0 "[ . 1 . 2]" 1
1546 1 24 TYR QE 1 48 LEU QD . . 3.920 2.378 1.774 3.938 0.018 2 0 "[ . 1 . 2]" 1
1547 1 20 SER HA 1 24 TYR QE . . 5.130 4.485 4.131 5.149 0.019 1 0 "[ . 1 . 2]" 1
1548 1 24 TYR QE 1 59 ARG HB3 . . 4.020 4.011 3.571 4.491 0.471 10 0 "[ . 1 . 2]" 1
1549 1 86 THR H 1 93 TYR QE . . 4.270 2.565 2.351 2.832 . 0 0 "[ . 1 . 2]" 1
1550 1 89 ASN HD21 1 93 TYR QE . . 4.520 3.198 2.870 3.451 . 0 0 "[ . 1 . 2]" 1
1551 1 90 ALA HA 1 93 TYR QE . . 4.660 4.692 4.662 4.745 0.085 18 0 "[ . 1 . 2]" 1
1552 1 93 TYR H 1 93 TYR QE . . 4.810 4.579 4.363 4.840 0.030 11 0 "[ . 1 . 2]" 1
1553 1 91 TYR H 1 91 TYR QE . . 4.090 4.011 3.984 4.058 . 0 0 "[ . 1 . 2]" 1
1554 1 119 TYR QE 1 123 LEU HB3 . . 3.690 4.763 4.083 5.181 1.491 3 18 "[**+ **-********* ***]" 1
1555 1 83 LEU MD2 1 93 TYR QE . . 4.510 3.817 2.726 4.569 0.059 4 0 "[ . 1 . 2]" 1
1556 1 83 LEU MD1 1 93 TYR QE . . 3.880 4.039 3.241 4.537 0.657 13 5 "[ .*- 1 + ** 2]" 1
1557 1 85 PRO HB3 1 93 TYR QE . . 3.820 3.377 2.999 3.684 . 0 0 "[ . 1 . 2]" 1
1558 1 91 TYR QE 1 92 GLU HA . . 3.980 3.839 3.763 3.985 0.005 11 0 "[ . 1 . 2]" 1
1559 1 91 TYR QE 1 92 GLU H . . 4.010 3.885 3.841 4.014 0.004 4 0 "[ . 1 . 2]" 1
1560 1 90 ALA H 1 91 TYR QE . . 4.730 4.699 4.611 4.760 0.030 20 0 "[ . 1 . 2]" 1
1561 1 38 PRO HA 1 119 TYR QE . . 4.120 4.106 3.727 4.383 0.263 12 0 "[ . 1 . 2]" 1
1562 1 38 PRO HD3 1 119 TYR QE . . 4.350 3.814 2.731 4.693 0.343 12 0 "[ . 1 . 2]" 1
1563 1 119 TYR QE 1 123 LEU QD . . 3.980 2.620 1.888 3.766 . 0 0 "[ . 1 . 2]" 1
1564 1 72 TYR H 1 72 TYR QE . . 4.840 4.406 4.259 4.614 . 0 0 "[ . 1 . 2]" 1
1565 1 68 ILE HA 1 72 TYR QE . . 4.100 3.842 3.375 4.106 0.006 3 0 "[ . 1 . 2]" 1
1566 1 71 ARG HB3 1 72 TYR QE . . 4.050 3.070 2.723 4.083 0.033 18 0 "[ . 1 . 2]" 1
1567 1 91 TYR QE 1 140 PHE HZ . . 4.500 4.469 4.369 4.512 0.012 11 0 "[ . 1 . 2]" 1
1568 1 91 TYR HB3 1 91 TYR QE . . 4.320 4.418 4.414 4.421 0.101 12 0 "[ . 1 . 2]" 1
1569 1 119 TYR QE 1 123 LEU HA . . 5.020 4.993 4.613 5.101 0.081 12 0 "[ . 1 . 2]" 1
1570 1 68 ILE MG 1 72 TYR QE . . 3.780 3.377 1.962 3.790 0.010 16 0 "[ . 1 . 2]" 1
1571 1 71 ARG HD3 1 72 TYR QE . . 4.070 3.262 2.651 4.950 0.880 18 1 "[ . 1 . + 2]" 1
1572 1 21 TYR QE 1 22 VAL HA . . 3.790 3.741 3.606 3.827 0.037 10 0 "[ . 1 . 2]" 1
1573 1 21 TYR QE 1 62 ALA MB . . 4.130 3.301 3.068 3.548 . 0 0 "[ . 1 . 2]" 1
1574 1 21 TYR QE 1 116 GLY H . . 4.120 3.115 2.610 3.418 . 0 0 "[ . 1 . 2]" 1
1575 1 111 VAL MG1 1 160 TRP HZ2 . . 4.440 3.306 3.061 3.605 . 0 0 "[ . 1 . 2]" 1
1576 1 14 THR HB 1 160 TRP HZ2 . . 4.480 4.385 3.973 4.525 0.045 6 0 "[ . 1 . 2]" 1
1577 1 154 ILE MG 1 160 TRP HZ2 . . 4.600 4.166 3.959 4.368 . 0 0 "[ . 1 . 2]" 1
1578 1 10 VAL MG1 1 160 TRP HZ2 . . 4.200 4.117 3.896 4.227 0.027 12 0 "[ . 1 . 2]" 1
1579 1 108 TRP HA 1 153 TRP HZ2 . . 4.210 4.221 4.164 4.248 0.038 5 0 "[ . 1 . 2]" 1
1580 1 106 ILE MG 1 153 TRP HZ2 . . 4.270 3.987 3.696 4.190 . 0 0 "[ . 1 . 2]" 1
1581 1 106 ILE HB 1 153 TRP HZ2 . . 4.900 4.696 4.522 4.809 . 0 0 "[ . 1 . 2]" 1
1582 1 108 TRP HZ2 1 154 ILE HA . . 4.580 4.600 4.494 4.639 0.059 10 0 "[ . 1 . 2]" 1
1583 1 108 TRP HZ2 1 157 ARG HB3 . . 4.860 3.058 2.893 3.298 . 0 0 "[ . 1 . 2]" 1
1584 1 108 TRP HZ2 1 154 ILE MG . . 4.200 4.006 3.831 4.081 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 162
_Distance_constraint_stats_list.Viol_count 315
_Distance_constraint_stats_list.Viol_total 413.604
_Distance_constraint_stats_list.Viol_max 0.528
_Distance_constraint_stats_list.Viol_rms 0.0305
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0064
_Distance_constraint_stats_list.Viol_average_violations_only 0.0657
_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 GLU 1.875 0.222 13 0 "[ . 1 . 2]"
2 2 ASP 1.524 0.222 13 0 "[ . 1 . 2]"
2 3 ILE 2.718 0.261 17 0 "[ . 1 . 2]"
2 4 ILE 3.045 0.237 7 0 "[ . 1 . 2]"
2 5 ARG 0.959 0.147 11 0 "[ . 1 . 2]"
2 6 ASN 0.059 0.023 6 0 "[ . 1 . 2]"
2 7 ILE 1.488 0.177 1 0 "[ . 1 . 2]"
2 8 ALA 2.976 0.471 9 0 "[ . 1 . 2]"
2 9 ARG 1.654 0.149 15 0 "[ . 1 . 2]"
2 10 HIS 0.049 0.015 13 0 "[ . 1 . 2]"
2 11 LEU 8.121 0.528 17 1 "[ . 1 . + 2]"
2 12 ALA 1.941 0.149 15 0 "[ . 1 . 2]"
2 14 VAL 5.538 0.528 17 1 "[ . 1 . + 2]"
2 15 GLY 0.015 0.007 10 0 "[ . 1 . 2]"
2 16 ASP 0.920 0.112 10 0 "[ . 1 . 2]"
2 18 NLE 1.485 0.100 12 0 "[ . 1 . 2]"
2 19 ASP 0.758 0.103 1 0 "[ . 1 . 2]"
2 20 ARG 1.583 0.112 10 0 "[ . 1 . 2]"
2 21 SER 0.011 0.010 20 0 "[ . 1 . 2]"
2 22 ILE 0.758 0.103 1 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 20 ARG HB3 2 21 SER H . . 4.180 4.079 3.662 4.190 0.010 20 0 "[ . 1 . 2]" 2
2 2 22 ILE H 2 22 ILE HG13 . . 4.250 2.662 2.487 3.068 . 0 0 "[ . 1 . 2]" 2
3 2 5 ARG H 2 5 ARG HG3 . . 4.580 2.818 2.236 4.046 . 0 0 "[ . 1 . 2]" 2
4 2 4 ILE HA 2 4 ILE MD . . 3.690 2.740 1.985 3.783 0.093 17 0 "[ . 1 . 2]" 2
5 2 4 ILE HB 2 4 ILE MD . . 3.490 2.561 2.105 3.230 . 0 0 "[ . 1 . 2]" 2
6 2 9 ARG HA 2 12 ALA MB . . 4.240 3.688 3.472 3.882 . 0 0 "[ . 1 . 2]" 2
7 2 11 LEU HA 2 14 VAL HB . . 4.960 4.233 3.154 5.132 0.172 10 0 "[ . 1 . 2]" 2
8 2 11 LEU HA 2 11 LEU MD1 . . 3.860 3.895 3.728 4.107 0.247 9 0 "[ . 1 . 2]" 2
9 2 11 LEU HA 2 14 VAL H . . 3.940 3.138 2.682 3.414 . 0 0 "[ . 1 . 2]" 2
10 2 11 LEU HA 2 11 LEU HG . . 3.600 3.009 2.746 3.622 0.022 9 0 "[ . 1 . 2]" 2
11 2 1 GLU H1 2 2 ASP H . . 3.870 3.487 3.102 4.092 0.222 13 0 "[ . 1 . 2]" 2
12 2 18 NLE HA 2 18 NLE HE1 . . 4.850 4.815 4.551 4.938 0.088 12 0 "[ . 1 . 2]" 2
13 2 14 VAL H 2 14 VAL HB . . 3.740 3.081 2.510 3.671 . 0 0 "[ . 1 . 2]" 2
14 2 16 ASP HA 2 19 ASP H . . 4.390 4.185 4.130 4.310 . 0 0 "[ . 1 . 2]" 2
15 2 19 ASP HA 2 22 ILE HG13 . . 4.370 3.141 1.980 3.503 . 0 0 "[ . 1 . 2]" 2
16 2 19 ASP HA 2 22 ILE H . . 4.620 4.075 3.478 4.501 . 0 0 "[ . 1 . 2]" 2
17 2 19 ASP HA 2 22 ILE MD . . 3.610 2.045 1.944 2.512 . 0 0 "[ . 1 . 2]" 2
18 2 7 ILE HA 2 7 ILE HG13 . . 3.780 2.591 2.294 3.408 . 0 0 "[ . 1 . 2]" 2
19 2 6 ASN HA 2 9 ARG H . . 4.110 3.274 3.002 3.641 . 0 0 "[ . 1 . 2]" 2
20 2 8 ALA H 2 9 ARG H . . 2.990 2.505 2.214 2.798 . 0 0 "[ . 1 . 2]" 2
21 2 9 ARG H 2 10 HIS H . . 2.950 2.583 2.402 2.778 . 0 0 "[ . 1 . 2]" 2
22 2 9 ARG H 2 9 ARG HB3 . . 4.030 2.404 2.171 2.726 . 0 0 "[ . 1 . 2]" 2
23 2 8 ALA HA 2 9 ARG H . . 3.580 3.502 3.444 3.551 . 0 0 "[ . 1 . 2]" 2
24 2 8 ALA HA 2 11 LEU H . . 3.520 3.468 3.253 3.604 0.084 4 0 "[ . 1 . 2]" 2
25 2 4 ILE HA 2 4 ILE HG13 . . 4.020 2.800 2.089 3.766 . 0 0 "[ . 1 . 2]" 2
26 2 4 ILE HA 2 4 ILE MG . . 3.460 2.527 2.279 3.175 . 0 0 "[ . 1 . 2]" 2
27 2 4 ILE HA 2 7 ILE HB . . 4.190 3.949 3.652 4.236 0.046 9 0 "[ . 1 . 2]" 2
28 2 4 ILE HA 2 7 ILE H . . 4.770 4.034 3.839 4.202 . 0 0 "[ . 1 . 2]" 2
29 2 19 ASP HA 2 22 ILE HB . . 4.550 4.147 2.198 4.653 0.103 1 0 "[ . 1 . 2]" 2
30 2 4 ILE H 2 4 ILE HG13 . . 4.710 3.528 2.130 4.334 . 0 0 "[ . 1 . 2]" 2
31 2 8 ALA HA 2 11 LEU MD1 . . 3.600 2.290 1.914 3.621 0.021 8 0 "[ . 1 . 2]" 2
32 2 3 ILE MG 2 4 ILE H . . 3.900 3.224 1.899 4.137 0.237 7 0 "[ . 1 . 2]" 2
33 2 3 ILE MD 2 3 ILE MG . . 2.900 2.285 1.818 2.910 0.010 12 0 "[ . 1 . 2]" 2
34 2 3 ILE H 2 3 ILE MG . . 3.880 3.080 1.906 3.844 . 0 0 "[ . 1 . 2]" 2
35 2 18 NLE HA 2 21 SER H . . 4.080 3.111 3.022 3.403 . 0 0 "[ . 1 . 2]" 2
36 2 20 ARG H 2 21 SER H . . 2.980 2.334 2.259 2.576 . 0 0 "[ . 1 . 2]" 2
37 2 5 ARG HA 2 5 ARG HG3 . . 3.850 2.928 2.185 3.978 0.128 8 0 "[ . 1 . 2]" 2
38 2 5 ARG HA 2 5 ARG HE . . 5.140 5.035 4.729 5.195 0.055 8 0 "[ . 1 . 2]" 2
39 2 2 ASP H 2 2 ASP HB3 . . 4.090 3.215 2.349 3.980 . 0 0 "[ . 1 . 2]" 2
40 2 1 GLU HB3 2 2 ASP H . . 4.280 3.174 2.128 4.275 . 0 0 "[ . 1 . 2]" 2
41 2 22 ILE H 2 22 ILE HB . . 4.040 3.438 2.406 3.785 . 0 0 "[ . 1 . 2]" 2
42 2 21 SER H 2 22 ILE H . . 3.040 2.638 2.543 3.012 . 0 0 "[ . 1 . 2]" 2
43 2 6 ASN H 2 6 ASN HD21 . . 5.500 4.238 2.701 4.940 . 0 0 "[ . 1 . 2]" 2
44 2 14 VAL H 2 14 VAL MG2 . . 4.390 2.639 1.962 3.870 . 0 0 "[ . 1 . 2]" 2
45 2 10 HIS HB3 2 11 LEU H . . 4.920 3.649 3.103 4.235 . 0 0 "[ . 1 . 2]" 2
46 2 10 HIS H 2 11 LEU H . . 2.920 2.460 1.846 2.667 . 0 0 "[ . 1 . 2]" 2
47 2 11 LEU H 2 11 LEU MD1 . . 5.160 3.539 3.107 3.977 . 0 0 "[ . 1 . 2]" 2
48 2 11 LEU H 2 11 LEU HG . . 4.500 2.659 2.076 4.046 . 0 0 "[ . 1 . 2]" 2
49 2 11 LEU H 2 12 ALA H . . 3.070 3.031 2.666 3.171 0.101 1 0 "[ . 1 . 2]" 2
50 2 16 ASP HA 2 19 ASP HB3 . . 4.120 3.498 3.325 3.797 . 0 0 "[ . 1 . 2]" 2
51 2 7 ILE HA 2 7 ILE MD . . 4.170 3.755 3.151 3.883 . 0 0 "[ . 1 . 2]" 2
52 2 7 ILE MD 2 7 ILE MG . . 3.400 2.021 1.788 2.331 . 0 0 "[ . 1 . 2]" 2
53 2 7 ILE HB 2 7 ILE MD . . 3.610 2.401 2.154 3.166 . 0 0 "[ . 1 . 2]" 2
54 2 7 ILE H 2 7 ILE MD . . 4.580 4.077 3.260 4.392 . 0 0 "[ . 1 . 2]" 2
55 2 15 GLY H 2 16 ASP H . . 3.090 2.678 2.453 2.928 . 0 0 "[ . 1 . 2]" 2
56 2 18 NLE H 2 19 ASP H . . 3.030 2.423 2.183 2.707 . 0 0 "[ . 1 . 2]" 2
57 2 1 GLU H1 2 1 GLU HB3 . . 3.820 3.592 2.836 4.018 0.198 7 0 "[ . 1 . 2]" 2
58 2 8 ALA MB 2 9 ARG H . . 3.080 2.773 2.498 3.010 . 0 0 "[ . 1 . 2]" 2
59 2 5 ARG HA 2 8 ALA MB . . 3.890 3.008 2.827 3.380 . 0 0 "[ . 1 . 2]" 2
60 2 22 ILE HB 2 22 ILE MD . . 3.280 2.295 2.146 2.660 . 0 0 "[ . 1 . 2]" 2
61 2 22 ILE H 2 22 ILE MD . . 4.940 3.961 3.869 4.222 . 0 0 "[ . 1 . 2]" 2
62 2 22 ILE HA 2 22 ILE MD . . 4.470 3.997 3.563 4.133 . 0 0 "[ . 1 . 2]" 2
63 2 22 ILE MD 2 22 ILE MG . . 3.400 2.263 1.847 2.495 . 0 0 "[ . 1 . 2]" 2
64 2 5 ARG HA 2 8 ALA H . . 4.030 3.742 3.560 4.077 0.047 8 0 "[ . 1 . 2]" 2
65 2 8 ALA H 2 8 ALA MB . . 3.230 2.161 2.084 2.235 . 0 0 "[ . 1 . 2]" 2
66 2 7 ILE HA 2 8 ALA H . . 3.760 3.524 3.472 3.570 . 0 0 "[ . 1 . 2]" 2
67 2 7 ILE HB 2 8 ALA H . . 3.850 3.364 2.037 3.942 0.092 15 0 "[ . 1 . 2]" 2
68 2 7 ILE H 2 8 ALA H . . 3.020 2.877 2.722 3.138 0.118 8 0 "[ . 1 . 2]" 2
69 2 11 LEU HA 2 11 LEU MD2 . . 3.860 2.420 1.943 3.415 . 0 0 "[ . 1 . 2]" 2
70 2 8 ALA HA 2 11 LEU MD2 . . 4.600 4.431 1.784 4.712 0.112 8 0 "[ . 1 . 2]" 2
71 2 11 LEU H 2 11 LEU MD2 . . 5.160 3.599 1.849 4.037 . 0 0 "[ . 1 . 2]" 2
72 2 3 ILE HB 2 4 ILE H . . 3.770 3.310 2.711 3.941 0.171 3 0 "[ . 1 . 2]" 2
73 2 3 ILE H 2 3 ILE HB . . 3.350 2.748 2.345 3.611 0.261 17 0 "[ . 1 . 2]" 2
74 2 8 ALA HA 2 11 LEU HG . . 3.700 3.543 2.512 4.171 0.471 9 0 "[ . 1 . 2]" 2
75 2 7 ILE HA 2 10 HIS H . . 4.200 3.726 3.450 4.206 0.006 16 0 "[ . 1 . 2]" 2
76 2 3 ILE HA 2 3 ILE MG . . 3.500 2.580 1.961 3.201 . 0 0 "[ . 1 . 2]" 2
77 2 3 ILE HA 2 6 ASN HB3 . . 4.600 3.644 3.340 4.220 . 0 0 "[ . 1 . 2]" 2
78 2 3 ILE HA 2 6 ASN H . . 4.010 3.191 2.987 3.519 . 0 0 "[ . 1 . 2]" 2
79 2 4 ILE MG 2 5 ARG H . . 4.030 3.252 2.001 3.725 . 0 0 "[ . 1 . 2]" 2
80 2 4 ILE HB 2 5 ARG H . . 3.670 2.946 2.631 3.817 0.147 11 0 "[ . 1 . 2]" 2
81 2 4 ILE H 2 5 ARG H . . 3.000 2.639 2.448 2.760 . 0 0 "[ . 1 . 2]" 2
82 2 1 GLU HA 2 5 ARG H . . 4.850 4.646 3.697 4.890 0.040 11 0 "[ . 1 . 2]" 2
83 2 18 NLE H 2 18 NLE HE1 . . 5.210 4.783 3.252 5.254 0.044 1 0 "[ . 1 . 2]" 2
84 2 22 ILE HA 2 22 ILE MG . . 3.180 2.304 2.233 2.491 . 0 0 "[ . 1 . 2]" 2
85 2 5 ARG H 2 5 ARG HE . . 5.460 4.714 3.136 5.363 . 0 0 "[ . 1 . 2]" 2
86 2 20 ARG HA 2 20 ARG HE . . 4.970 3.373 2.299 4.953 . 0 0 "[ . 1 . 2]" 2
87 2 20 ARG HB3 2 20 ARG HE . . 5.500 3.207 1.944 4.439 . 0 0 "[ . 1 . 2]" 2
88 2 12 ALA H 2 12 ALA MB . . 3.340 2.195 2.113 2.315 . 0 0 "[ . 1 . 2]" 2
89 2 10 HIS HA 2 12 ALA H . . 4.580 3.432 3.282 3.545 . 0 0 "[ . 1 . 2]" 2
90 2 9 ARG HA 2 12 ALA H . . 4.720 4.786 4.467 4.869 0.149 15 0 "[ . 1 . 2]" 2
91 2 6 ASN HB3 2 7 ILE H . . 4.700 3.067 2.651 3.377 . 0 0 "[ . 1 . 2]" 2
92 2 3 ILE HG13 2 3 ILE MG . . 3.220 3.035 2.362 3.204 . 0 0 "[ . 1 . 2]" 2
93 2 3 ILE HA 2 3 ILE HG13 . . 3.900 2.977 2.242 3.767 . 0 0 "[ . 1 . 2]" 2
94 2 3 ILE H 2 3 ILE HG13 . . 4.670 3.089 1.975 4.651 . 0 0 "[ . 1 . 2]" 2
95 2 6 ASN H 2 8 ALA H . . 4.770 4.212 3.888 4.793 0.023 6 0 "[ . 1 . 2]" 2
96 2 5 ARG H 2 6 ASN H . . 3.080 2.319 2.223 2.425 . 0 0 "[ . 1 . 2]" 2
97 2 6 ASN H 2 6 ASN HB3 . . 3.950 3.455 3.247 3.566 . 0 0 "[ . 1 . 2]" 2
98 2 6 ASN H 2 6 ASN HD22 . . 5.500 4.908 4.324 5.409 . 0 0 "[ . 1 . 2]" 2
99 2 14 VAL H 2 14 VAL MG1 . . 4.390 3.067 1.985 3.864 . 0 0 "[ . 1 . 2]" 2
100 2 14 VAL HB 2 15 GLY H . . 4.480 3.600 2.709 4.213 . 0 0 "[ . 1 . 2]" 2
101 2 14 VAL H 2 15 GLY H . . 3.080 2.055 2.003 2.310 . 0 0 "[ . 1 . 2]" 2
102 2 7 ILE MG 2 8 ALA H . . 4.460 2.293 1.911 2.987 . 0 0 "[ . 1 . 2]" 2
103 2 7 ILE HA 2 7 ILE MG . . 3.610 2.943 2.306 3.199 . 0 0 "[ . 1 . 2]" 2
104 2 7 ILE H 2 7 ILE MG . . 4.780 2.772 2.220 3.768 . 0 0 "[ . 1 . 2]" 2
105 2 9 ARG HA 2 9 ARG HE . . 5.500 4.682 4.064 5.539 0.039 13 0 "[ . 1 . 2]" 2
106 2 4 ILE MD 2 4 ILE MG . . 3.500 2.656 1.896 3.247 . 0 0 "[ . 1 . 2]" 2
107 2 4 ILE H 2 4 ILE MG . . 4.250 3.564 2.542 3.768 . 0 0 "[ . 1 . 2]" 2
108 2 7 ILE H 2 7 ILE HB . . 3.800 2.432 2.283 2.608 . 0 0 "[ . 1 . 2]" 2
109 2 19 ASP HB3 2 20 ARG H . . 4.920 2.972 2.848 3.060 . 0 0 "[ . 1 . 2]" 2
110 2 19 ASP H 2 20 ARG H . . 3.090 2.734 2.705 2.803 . 0 0 "[ . 1 . 2]" 2
111 2 20 ARG H 2 20 ARG HE . . 4.770 4.440 3.530 4.775 0.005 14 0 "[ . 1 . 2]" 2
112 2 20 ARG H 2 20 ARG HB3 . . 3.900 3.633 3.566 3.653 . 0 0 "[ . 1 . 2]" 2
113 2 20 ARG H 2 20 ARG HG3 . . 4.150 3.171 2.482 3.762 . 0 0 "[ . 1 . 2]" 2
114 2 4 ILE H 2 4 ILE HB . . 3.420 2.445 2.271 2.652 . 0 0 "[ . 1 . 2]" 2
115 2 19 ASP HA 2 22 ILE MG . . 4.410 3.133 2.734 4.223 . 0 0 "[ . 1 . 2]" 2
116 2 22 ILE H 2 22 ILE MG . . 4.010 3.224 2.928 3.965 . 0 0 "[ . 1 . 2]" 2
117 2 4 ILE H 2 4 ILE MD . . 4.460 2.693 1.869 4.033 . 0 0 "[ . 1 . 2]" 2
118 2 1 GLU HA 2 4 ILE H . . 4.900 3.526 3.070 4.069 . 0 0 "[ . 1 . 2]" 2
119 2 2 ASP HA 2 6 ASN H . . 4.900 4.445 4.022 4.920 0.020 19 0 "[ . 1 . 2]" 2
120 2 4 ILE HA 2 8 ALA H . . 4.900 4.858 4.576 4.982 0.082 18 0 "[ . 1 . 2]" 2
121 2 5 ARG HA 2 9 ARG H . . 4.900 4.341 4.008 4.726 . 0 0 "[ . 1 . 2]" 2
122 2 6 ASN HA 2 10 HIS H . . 4.900 4.045 3.371 4.649 . 0 0 "[ . 1 . 2]" 2
123 2 7 ILE HA 2 11 LEU H . . 4.900 4.759 4.246 5.077 0.177 1 0 "[ . 1 . 2]" 2
124 2 11 LEU HA 2 15 GLY H . . 4.900 4.655 4.184 4.907 0.007 10 0 "[ . 1 . 2]" 2
125 2 14 VAL HA 2 18 NLE H . . 4.900 4.915 4.626 5.000 0.100 12 0 "[ . 1 . 2]" 2
126 2 16 ASP HA 2 20 ARG H . . 5.300 5.339 5.161 5.412 0.112 10 0 "[ . 1 . 2]" 2
127 2 1 GLU HA 2 4 ILE MD . . 4.020 3.437 2.080 4.039 0.019 3 0 "[ . 1 . 2]" 2
128 2 1 GLU HA 2 4 ILE MG . . 4.730 4.150 2.552 4.752 0.022 13 0 "[ . 1 . 2]" 2
129 2 1 GLU HA 2 4 ILE HB . . 3.370 3.244 2.991 3.516 0.146 7 0 "[ . 1 . 2]" 2
130 2 3 ILE HB 2 3 ILE MD . . 3.390 2.371 2.025 3.224 . 0 0 "[ . 1 . 2]" 2
131 2 3 ILE HA 2 3 ILE MD . . 4.220 3.579 2.488 4.159 . 0 0 "[ . 1 . 2]" 2
132 2 7 ILE H 2 7 ILE HG13 . . 4.870 3.658 1.966 4.480 . 0 0 "[ . 1 . 2]" 2
133 2 6 ASN H 2 7 ILE H . . 3.070 2.684 2.639 2.838 . 0 0 "[ . 1 . 2]" 2
134 2 2 ASP H 2 3 ILE H . . 5.090 2.601 2.175 3.190 . 0 0 "[ . 1 . 2]" 2
135 2 3 ILE H 2 4 ILE H . . 3.110 2.330 1.860 2.673 . 0 0 "[ . 1 . 2]" 2
136 2 3 ILE HA 2 4 ILE H . . 3.500 3.499 3.429 3.563 0.063 18 0 "[ . 1 . 2]" 2
137 2 20 ARG HA 2 20 ARG HG3 . . 3.730 3.676 3.192 3.809 0.079 9 0 "[ . 1 . 2]" 2
138 2 2 ASP HA 2 5 ARG H . . 4.390 3.885 3.346 4.505 0.115 7 0 "[ . 1 . 2]" 2
139 2 2 ASP HA 2 3 ILE H . . 3.450 3.460 3.376 3.524 0.074 4 0 "[ . 1 . 2]" 2
140 2 9 ARG H 2 9 ARG HE . . 5.430 5.027 4.682 5.430 . 6 0 "[ . 1 . 2]" 2
141 2 1 GLU HA 2 2 ASP H . . 3.520 3.230 2.140 3.570 0.050 1 0 "[ . 1 . 2]" 2
142 2 6 ASN HA 2 6 ASN HD22 . . 5.100 4.286 3.370 4.590 . 0 0 "[ . 1 . 2]" 2
143 2 3 ILE HA 2 6 ASN QD . . 4.890 3.457 2.224 4.776 . 0 0 "[ . 1 . 2]" 2
144 2 5 ARG HA 2 6 ASN H . . 3.560 3.489 3.435 3.535 . 0 0 "[ . 1 . 2]" 2
145 2 6 ASN HA 2 6 ASN QD . . 4.400 3.668 2.261 4.008 . 0 0 "[ . 1 . 2]" 2
146 2 6 ASN HA 2 7 ILE H . . 4.420 3.557 3.550 3.566 . 0 0 "[ . 1 . 2]" 2
147 2 9 ARG HA 2 10 HIS H . . 4.080 3.486 3.239 3.569 . 0 0 "[ . 1 . 2]" 2
148 2 9 ARG HE 2 10 HIS HE1 . . 4.580 4.432 3.900 4.595 0.015 13 0 "[ . 1 . 2]" 2
149 2 9 ARG HE 2 10 HIS HD2 . . 5.080 3.899 2.744 5.093 0.013 13 0 "[ . 1 . 2]" 2
150 2 10 HIS HA 2 11 LEU H . . 4.560 3.426 3.350 3.477 . 0 0 "[ . 1 . 2]" 2
151 2 11 LEU H 2 11 LEU QD . . 4.370 3.075 1.845 3.448 . 0 0 "[ . 1 . 2]" 2
152 2 11 LEU HA 2 11 LEU QD . . 3.120 2.391 1.938 3.256 0.136 9 0 "[ . 1 . 2]" 2
153 2 11 LEU HA 2 14 VAL MG1 . . 4.750 3.747 2.194 4.962 0.212 1 0 "[ . 1 . 2]" 2
154 2 11 LEU HA 2 14 VAL MG2 . . 4.350 2.947 2.102 4.878 0.528 17 1 "[ . 1 . + 2]" 2
155 2 11 LEU QD 2 12 ALA H . . 5.440 4.360 2.736 4.600 . 0 0 "[ . 1 . 2]" 2
156 2 11 LEU QD 2 14 VAL HB . . 4.910 3.584 2.873 4.985 0.075 9 0 "[ . 1 . 2]" 2
157 2 11 LEU QD 2 14 VAL QG . . 4.180 2.148 1.738 3.330 . 0 0 "[ . 1 . 2]" 2
158 2 14 VAL H 2 14 VAL QG . . 3.810 2.114 1.936 2.436 . 0 0 "[ . 1 . 2]" 2
159 2 14 VAL QG 2 15 GLY H . . 4.900 2.710 1.977 3.422 . 0 0 "[ . 1 . 2]" 2
160 2 19 ASP HA 2 20 ARG H . . 3.580 3.474 3.444 3.512 . 0 0 "[ . 1 . 2]" 2
161 2 20 ARG HA 2 21 SER H . . 3.580 3.420 3.393 3.509 . 0 0 "[ . 1 . 2]" 2
162 2 21 SER HA 2 22 ILE H . . 3.480 2.982 2.758 3.028 . 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 101
_Distance_constraint_stats_list.Viol_count 327
_Distance_constraint_stats_list.Viol_total 456.964
_Distance_constraint_stats_list.Viol_max 0.765
_Distance_constraint_stats_list.Viol_rms 0.0404
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0113
_Distance_constraint_stats_list.Viol_average_violations_only 0.0699
_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 64 ILE 6.018 0.317 1 0 "[ . 1 . 2]"
1 68 ILE 2.191 0.142 1 0 "[ . 1 . 2]"
1 72 TYR 0.363 0.184 6 0 "[ . 1 . 2]"
1 76 PHE 0.999 0.765 9 1 "[ . +1 . 2]"
1 79 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LEU 0.440 0.142 18 0 "[ . 1 . 2]"
1 83 LEU 2.806 0.340 8 0 "[ . 1 . 2]"
1 84 GLN 0.213 0.086 4 0 "[ . 1 . 2]"
1 96 LYS 0.170 0.170 1 0 "[ . 1 . 2]"
1 97 ILE 2.411 0.363 1 0 "[ . 1 . 2]"
1 100 SER 2.503 0.187 5 0 "[ . 1 . 2]"
1 101 LEU 1.978 0.138 10 0 "[ . 1 . 2]"
1 108 TRP 0.033 0.023 15 0 "[ . 1 . 2]"
1 109 GLY 1.372 0.112 8 0 "[ . 1 . 2]"
1 112 VAL 0.052 0.052 19 0 "[ . 1 . 2]"
1 113 ALA 0.871 0.103 14 0 "[ . 1 . 2]"
1 166 LEU 0.052 0.027 1 0 "[ . 1 . 2]"
1 167 GLY 0.374 0.107 9 0 "[ . 1 . 2]"
2 3 ILE 2.587 0.340 8 0 "[ . 1 . 2]"
2 4 ILE 0.432 0.047 9 0 "[ . 1 . 2]"
2 7 ILE 2.428 0.363 1 0 "[ . 1 . 2]"
2 8 ALA 3.844 0.187 5 0 "[ . 1 . 2]"
2 11 LEU 0.765 0.765 9 1 "[ . +1 . 2]"
2 12 ALA 1.465 0.138 10 0 "[ . 1 . 2]"
2 14 VAL 1.144 0.184 6 0 "[ . 1 . 2]"
2 15 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 18 NLE 1.761 0.142 1 0 "[ . 1 . 2]"
2 19 ASP 0.398 0.082 16 0 "[ . 1 . 2]"
2 20 ARG 0.572 0.097 16 0 "[ . 1 . 2]"
2 22 ILE 7.452 0.317 1 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 68 ILE MD 2 18 NLE H . . 4.920 3.054 2.638 3.264 . 0 0 "[ . 1 . 2]" 3
2 1 68 ILE MD 2 18 NLE HE1 . . 4.420 4.415 3.822 4.562 0.142 1 0 "[ . 1 . 2]" 3
3 1 68 ILE MD 2 20 ARG H . . 5.320 5.275 4.881 5.417 0.097 16 0 "[ . 1 . 2]" 3
4 1 68 ILE MD 2 18 NLE HA . . 3.590 2.444 1.932 2.653 . 0 0 "[ . 1 . 2]" 3
5 1 100 SER HB3 2 8 ALA MB . . 4.650 2.213 1.966 2.596 . 0 0 "[ . 1 . 2]" 3
6 1 79 MET ME 2 7 ILE HA . . 4.230 2.177 1.866 3.306 . 0 0 "[ . 1 . 2]" 3
7 1 79 MET ME 2 7 ILE HG13 . . 4.460 2.319 1.871 3.241 . 0 0 "[ . 1 . 2]" 3
8 1 79 MET ME 2 7 ILE MD . . 4.660 3.008 2.209 3.512 . 0 0 "[ . 1 . 2]" 3
9 1 79 MET ME 2 7 ILE MG . . 5.500 3.300 2.492 4.029 . 0 0 "[ . 1 . 2]" 3
10 1 79 MET ME 2 7 ILE HB . . 4.570 2.787 1.887 4.177 . 0 0 "[ . 1 . 2]" 3
11 1 112 VAL QG 2 18 NLE HE1 . . 3.280 2.492 2.002 3.332 0.052 19 0 "[ . 1 . 2]" 3
12 1 96 LYS HD3 2 7 ILE MD . . 4.780 4.177 3.231 4.950 0.170 1 0 "[ . 1 . 2]" 3
13 1 96 LYS HD3 2 7 ILE MG . . 5.350 3.347 2.916 4.361 . 0 0 "[ . 1 . 2]" 3
14 1 97 ILE MD 2 7 ILE HA . . 5.090 4.836 4.580 5.046 . 0 0 "[ . 1 . 2]" 3
15 1 97 ILE MD 2 4 ILE HA . . 5.150 4.040 3.623 4.454 . 0 0 "[ . 1 . 2]" 3
16 1 97 ILE MD 2 7 ILE MD . . 3.450 1.812 1.783 1.869 . 0 0 "[ . 1 . 2]" 3
17 1 97 ILE MD 2 7 ILE MG . . 3.910 1.797 1.698 1.938 . 0 0 "[ . 1 . 2]" 3
18 1 97 ILE MD 2 7 ILE HB . . 4.320 3.441 2.716 4.041 . 0 0 "[ . 1 . 2]" 3
19 1 64 ILE MG 2 22 ILE MD . . 3.660 3.733 3.232 3.907 0.247 19 0 "[ . 1 . 2]" 3
20 1 64 ILE MG 2 22 ILE MG . . 3.770 2.279 1.854 3.674 . 0 0 "[ . 1 . 2]" 3
21 1 64 ILE MG 2 22 ILE HB . . 5.010 3.417 2.651 5.068 0.058 6 0 "[ . 1 . 2]" 3
22 1 64 ILE MG 2 22 ILE HG13 . . 4.660 4.712 3.450 4.977 0.317 1 0 "[ . 1 . 2]" 3
23 1 68 ILE MG 2 14 VAL HB . . 4.490 4.269 3.435 4.620 0.130 15 0 "[ . 1 . 2]" 3
24 1 68 ILE MG 2 18 NLE HE1 . . 3.900 3.601 2.769 3.956 0.056 10 0 "[ . 1 . 2]" 3
25 1 68 ILE MG 2 18 NLE HA . . 5.010 4.090 3.910 4.303 . 0 0 "[ . 1 . 2]" 3
26 1 113 ALA MB 2 14 VAL MG1 . . 4.110 2.315 1.762 3.401 . 0 0 "[ . 1 . 2]" 3
27 1 113 ALA MB 2 15 GLY QA . . 4.530 2.697 2.156 3.110 . 0 0 "[ . 1 . 2]" 3
28 1 113 ALA MB 2 15 GLY H . . 4.690 3.928 3.464 4.157 . 0 0 "[ . 1 . 2]" 3
29 1 113 ALA MB 2 14 VAL MG2 . . 4.110 2.707 1.750 3.877 . 0 0 "[ . 1 . 2]" 3
30 1 113 ALA MB 2 18 NLE HE1 . . 4.240 4.164 3.039 4.343 0.103 14 0 "[ . 1 . 2]" 3
31 1 64 ILE MD 2 22 ILE MD . . 3.700 2.808 1.846 3.360 . 0 0 "[ . 1 . 2]" 3
32 1 64 ILE MD 2 22 ILE HA . . 5.140 4.382 3.587 4.794 . 0 0 "[ . 1 . 2]" 3
33 1 64 ILE MD 2 22 ILE MG . . 3.960 2.168 1.917 3.062 . 0 0 "[ . 1 . 2]" 3
34 1 64 ILE MD 2 22 ILE HB . . 4.570 3.714 3.045 4.719 0.149 8 0 "[ . 1 . 2]" 3
35 1 64 ILE MD 2 22 ILE HG13 . . 5.340 4.763 3.312 5.339 . 0 0 "[ . 1 . 2]" 3
36 1 101 LEU QD 2 11 LEU HB3 . . 5.050 2.120 1.863 4.482 . 0 0 "[ . 1 . 2]" 3
37 1 101 LEU QD 2 11 LEU MD2 . . 4.940 2.508 1.975 3.869 . 0 0 "[ . 1 . 2]" 3
38 1 80 LEU QD 2 7 ILE MG . . 4.180 3.954 3.167 4.322 0.142 18 0 "[ . 1 . 2]" 3
39 1 97 ILE HA 2 8 ALA MB . . 4.170 3.608 3.339 3.831 . 0 0 "[ . 1 . 2]" 3
40 1 97 ILE HA 2 7 ILE MD . . 4.890 4.057 3.296 4.723 . 0 0 "[ . 1 . 2]" 3
41 1 97 ILE HA 2 7 ILE MG . . 4.970 3.118 2.730 3.407 . 0 0 "[ . 1 . 2]" 3
42 1 166 LEU MD1 2 22 ILE MD . . 4.150 2.482 1.897 3.194 . 0 0 "[ . 1 . 2]" 3
43 1 166 LEU MD1 2 22 ILE MG . . 4.250 3.117 2.013 4.153 . 0 0 "[ . 1 . 2]" 3
44 1 83 LEU MD2 2 3 ILE HB . . 5.270 4.665 2.526 5.382 0.112 1 0 "[ . 1 . 2]" 3
45 1 83 LEU MD2 2 3 ILE MD . . 4.310 3.824 1.988 4.650 0.340 8 0 "[ . 1 . 2]" 3
46 1 83 LEU MD2 2 4 ILE MD . . 3.700 3.623 3.001 3.744 0.044 12 0 "[ . 1 . 2]" 3
47 1 83 LEU MD2 2 3 ILE MG . . 4.790 3.513 2.197 4.809 0.019 18 0 "[ . 1 . 2]" 3
48 1 97 ILE MG 2 8 ALA MB . . 4.690 4.181 3.914 4.358 . 0 0 "[ . 1 . 2]" 3
49 1 97 ILE MG 2 8 ALA HA . . 3.950 3.747 3.351 3.973 0.023 6 0 "[ . 1 . 2]" 3
50 1 97 ILE MG 2 7 ILE MD . . 4.040 2.630 1.737 4.037 . 0 0 "[ . 1 . 2]" 3
51 1 97 ILE MG 2 8 ALA H . . 4.820 4.791 4.466 4.926 0.106 13 0 "[ . 1 . 2]" 3
52 1 97 ILE MG 2 7 ILE MG . . 3.660 2.587 1.835 2.985 . 0 0 "[ . 1 . 2]" 3
53 1 97 ILE MG 2 7 ILE HB . . 4.640 4.521 3.941 5.003 0.363 1 0 "[ . 1 . 2]" 3
54 1 101 LEU QD 2 11 LEU MD1 . . 4.940 2.695 2.095 3.140 . 0 0 "[ . 1 . 2]" 3
55 1 101 LEU QD 2 12 ALA HA . . 3.880 3.945 3.718 4.018 0.138 10 0 "[ . 1 . 2]" 3
56 1 101 LEU QD 2 12 ALA MB . . 4.870 4.830 4.763 4.874 0.004 6 0 "[ . 1 . 2]" 3
57 1 166 LEU MD2 2 22 ILE MD . . 4.150 2.600 1.806 3.820 . 0 0 "[ . 1 . 2]" 3
58 1 166 LEU MD2 2 22 ILE MG . . 4.250 3.393 1.823 4.277 0.027 1 0 "[ . 1 . 2]" 3
59 1 112 VAL HB 2 18 NLE HE1 . . 4.770 3.323 2.510 3.812 . 0 0 "[ . 1 . 2]" 3
60 1 97 ILE HB 2 7 ILE MG . . 4.990 4.696 3.995 5.034 0.044 15 0 "[ . 1 . 2]" 3
61 1 83 LEU MD1 2 3 ILE HB . . 5.270 3.484 2.353 5.368 0.098 9 0 "[ . 1 . 2]" 3
62 1 83 LEU MD1 2 3 ILE MD . . 4.610 3.268 1.994 4.248 . 0 0 "[ . 1 . 2]" 3
63 1 83 LEU MD1 2 4 ILE MD . . 3.700 3.040 1.894 3.747 0.047 9 0 "[ . 1 . 2]" 3
64 1 83 LEU MD1 2 3 ILE MG . . 4.790 2.484 1.866 4.812 0.022 17 0 "[ . 1 . 2]" 3
65 1 97 ILE HG13 2 7 ILE MD . . 4.880 2.465 1.935 3.712 . 0 0 "[ . 1 . 2]" 3
66 1 97 ILE HG13 2 7 ILE MG . . 5.090 3.515 2.709 3.997 . 0 0 "[ . 1 . 2]" 3
67 1 68 ILE MG 2 14 VAL QG . . 3.770 2.591 2.144 3.327 . 0 0 "[ . 1 . 2]" 3
68 1 80 LEU QD 2 7 ILE MD . . 4.040 2.397 1.837 3.499 . 0 0 "[ . 1 . 2]" 3
69 1 83 LEU QD 2 3 ILE HB . . 4.160 3.248 2.348 4.256 0.096 1 0 "[ . 1 . 2]" 3
70 1 83 LEU QD 2 3 ILE MG . . 3.520 2.337 1.856 3.650 0.130 17 0 "[ . 1 . 2]" 3
71 1 83 LEU QD 2 3 ILE MD . . 3.610 3.006 1.773 3.614 0.004 20 0 "[ . 1 . 2]" 3
72 1 83 LEU QD 2 4 ILE H . . 5.100 4.208 3.232 4.899 . 0 0 "[ . 1 . 2]" 3
73 1 83 LEU QD 2 4 ILE HA . . 4.880 3.490 2.345 4.125 . 0 0 "[ . 1 . 2]" 3
74 1 83 LEU QD 2 4 ILE MD . . 3.240 2.812 1.889 3.275 0.035 18 0 "[ . 1 . 2]" 3
75 1 97 ILE MG 2 11 LEU QD . . 3.710 1.726 1.647 1.867 . 0 0 "[ . 1 . 2]" 3
76 1 101 LEU QD 2 11 LEU QD . . 3.670 2.216 1.924 2.831 . 0 0 "[ . 1 . 2]" 3
77 1 101 LEU QD 2 15 GLY H . . 5.220 2.808 2.295 3.189 . 0 0 "[ . 1 . 2]" 3
78 1 166 LEU QD 2 22 ILE HA . . 5.290 4.463 3.724 5.257 . 0 0 "[ . 1 . 2]" 3
79 1 166 LEU QD 2 22 ILE HB . . 5.070 3.033 1.954 3.821 . 0 0 "[ . 1 . 2]" 3
80 1 83 LEU H 2 3 ILE MD . . 3.460 2.824 1.942 3.536 0.076 17 0 "[ . 1 . 2]" 3
81 1 83 LEU H 2 3 ILE MG . . 4.970 3.423 2.425 4.836 . 0 0 "[ . 1 . 2]" 3
82 1 97 ILE H 2 7 ILE MD . . 4.810 4.607 4.415 4.918 0.108 5 0 "[ . 1 . 2]" 3
83 1 97 ILE H 2 7 ILE MG . . 4.600 4.525 4.358 4.649 0.049 2 0 "[ . 1 . 2]" 3
84 1 109 GLY H 2 22 ILE MD . . 3.860 3.233 2.611 3.871 0.011 1 0 "[ . 1 . 2]" 3
85 1 109 GLY H 2 19 ASP HA . . 4.370 3.275 2.775 3.544 . 0 0 "[ . 1 . 2]" 3
86 1 109 GLY H 2 19 ASP HB3 . . 4.030 4.003 3.567 4.112 0.082 16 0 "[ . 1 . 2]" 3
87 1 109 GLY H 2 22 ILE MG . . 4.790 4.815 4.526 4.902 0.112 8 0 "[ . 1 . 2]" 3
88 1 101 LEU H 2 8 ALA MB . . 4.650 4.660 4.542 4.723 0.073 9 0 "[ . 1 . 2]" 3
89 1 84 GLN H 2 3 ILE MD . . 4.740 4.619 4.217 4.826 0.086 4 0 "[ . 1 . 2]" 3
90 1 108 TRP H 2 22 ILE MD . . 4.700 4.429 4.182 4.723 0.023 15 0 "[ . 1 . 2]" 3
91 1 167 GLY H 2 22 ILE MD . . 4.330 3.976 3.284 4.348 0.018 8 0 "[ . 1 . 2]" 3
92 1 167 GLY H 2 22 ILE HA . . 3.650 2.816 1.943 3.561 . 0 0 "[ . 1 . 2]" 3
93 1 167 GLY H 2 22 ILE MG . . 3.950 3.058 1.824 3.956 0.006 20 0 "[ . 1 . 2]" 3
94 1 167 GLY H 2 22 ILE HB . . 4.220 2.898 2.049 4.327 0.107 9 0 "[ . 1 . 2]" 3
95 1 100 SER H 2 8 ALA MB . . 4.200 4.325 4.235 4.387 0.187 5 0 "[ . 1 . 2]" 3
96 1 76 PHE HZ 2 11 LEU MD1 . . 5.400 2.776 1.966 4.000 . 0 0 "[ . 1 . 2]" 3
97 1 76 PHE HZ 2 11 LEU MD2 . . 4.500 2.915 1.903 5.265 0.765 9 1 "[ . +1 . 2]" 3
98 1 76 PHE HZ 2 7 ILE MD . . 4.500 3.497 2.492 4.542 0.042 10 0 "[ . 1 . 2]" 3
99 1 76 PHE QE 2 11 LEU MD2 . . 4.800 2.681 1.992 4.130 . 0 0 "[ . 1 . 2]" 3
100 1 76 PHE QE 2 7 ILE MD . . 4.500 3.636 2.897 4.579 0.079 10 0 "[ . 1 . 2]" 3
101 1 72 TYR HB3 2 14 VAL MG2 . . 5.340 3.973 2.465 5.524 0.184 6 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 126
_Distance_constraint_stats_list.Viol_count 2054
_Distance_constraint_stats_list.Viol_total 7308.602
_Distance_constraint_stats_list.Viol_max 0.525
_Distance_constraint_stats_list.Viol_rms 0.1205
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1450
_Distance_constraint_stats_list.Viol_average_violations_only 0.1779
_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 6 SER 3.010 0.241 8 0 "[ . 1 . 2]"
1 7 GLU 9.444 0.350 20 0 "[ . 1 . 2]"
1 9 GLN 6.245 0.346 4 0 "[ . 1 . 2]"
1 10 VAL 6.871 0.257 6 0 "[ . 1 . 2]"
1 11 ALA 24.054 0.525 6 2 "[ .+ 1 . -]"
1 12 GLN 8.107 0.454 18 0 "[ . 1 . 2]"
1 13 ASP 10.084 0.346 4 0 "[ . 1 . 2]"
1 14 THR 5.833 0.257 6 0 "[ . 1 . 2]"
1 15 GLU 28.029 0.525 6 2 "[ .+ 1 . -]"
1 16 GLU 20.054 0.454 18 0 "[ . 1 . 2]"
1 17 VAL 4.920 0.326 18 0 "[ . 1 . 2]"
1 18 PHE 12.961 0.372 14 0 "[ . 1 . 2]"
1 19 ARG 14.487 0.400 12 0 "[ . 1 . 2]"
1 20 SER 16.344 0.391 14 0 "[ . 1 . 2]"
1 21 TYR 9.753 0.325 12 0 "[ . 1 . 2]"
1 22 VAL 20.772 0.372 14 0 "[ . 1 . 2]"
1 23 PHE 8.164 0.302 20 0 "[ . 1 . 2]"
1 24 TYR 4.397 0.248 1 0 "[ . 1 . 2]"
1 25 ARG 8.673 0.325 12 0 "[ . 1 . 2]"
1 26 HIS 9.783 0.359 6 0 "[ . 1 . 2]"
1 27 GLN 7.095 0.302 20 0 "[ . 1 . 2]"
1 57 VAL 0.468 0.072 8 0 "[ . 1 . 2]"
1 58 GLY 0.121 0.036 17 0 "[ . 1 . 2]"
1 60 GLN 1.597 0.093 17 0 "[ . 1 . 2]"
1 61 LEU 8.513 0.309 1 0 "[ . 1 . 2]"
1 62 ALA 0.121 0.036 17 0 "[ . 1 . 2]"
1 63 ILE 0.643 0.067 8 0 "[ . 1 . 2]"
1 64 ILE 0.954 0.093 17 0 "[ . 1 . 2]"
1 65 GLY 15.644 0.309 1 0 "[ . 1 . 2]"
1 66 ASP 1.678 0.171 6 0 "[ . 1 . 2]"
1 67 ASP 3.982 0.284 18 0 "[ . 1 . 2]"
1 68 ILE 2.365 0.141 5 0 "[ . 1 . 2]"
1 69 ASN 7.599 0.293 16 0 "[ . 1 . 2]"
1 70 ARG 1.678 0.171 6 0 "[ . 1 . 2]"
1 71 ARG 3.982 0.284 18 0 "[ . 1 . 2]"
1 72 TYR 2.365 0.141 5 0 "[ . 1 . 2]"
1 73 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 PHE 10.617 0.407 4 0 "[ . 1 . 2]"
1 77 GLN 8.077 0.298 6 0 "[ . 1 . 2]"
1 80 LEU 10.617 0.407 4 0 "[ . 1 . 2]"
1 81 GLN 8.077 0.298 6 0 "[ . 1 . 2]"
1 89 ASN 10.163 0.350 10 0 "[ . 1 . 2]"
1 90 ALA 5.424 0.292 18 0 "[ . 1 . 2]"
1 91 TYR 0.013 0.013 11 0 "[ . 1 . 2]"
1 93 TYR 23.144 0.380 9 0 "[ . 1 . 2]"
1 94 PHE 16.323 0.343 3 0 "[ . 1 . 2]"
1 95 THR 11.415 0.333 14 0 "[ . 1 . 2]"
1 96 LYS 8.676 0.315 9 0 "[ . 1 . 2]"
1 97 ILE 14.856 0.380 9 0 "[ . 1 . 2]"
1 98 ALA 10.899 0.343 3 0 "[ . 1 . 2]"
1 99 THR 11.403 0.333 14 0 "[ . 1 . 2]"
1 100 SER 8.676 0.315 9 0 "[ . 1 . 2]"
1 101 LEU 1.875 0.129 14 0 "[ . 1 . 2]"
1 102 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 ASN 2.684 0.148 17 0 "[ . 1 . 2]"
1 109 GLY 2.310 0.178 1 0 "[ . 1 . 2]"
1 110 ARG 9.481 0.314 6 0 "[ . 1 . 2]"
1 111 VAL 2.684 0.148 17 0 "[ . 1 . 2]"
1 112 VAL 5.878 0.314 9 0 "[ . 1 . 2]"
1 113 ALA 3.928 0.178 1 0 "[ . 1 . 2]"
1 114 LEU 17.555 0.314 6 0 "[ . 1 . 2]"
1 115 LEU 5.678 0.214 12 0 "[ . 1 . 2]"
1 116 GLY 5.878 0.314 9 0 "[ . 1 . 2]"
1 117 PHE 6.910 0.316 19 0 "[ . 1 . 2]"
1 118 GLY 10.443 0.311 4 0 "[ . 1 . 2]"
1 119 TYR 5.694 0.214 12 0 "[ . 1 . 2]"
1 120 ARG 1.307 0.176 20 0 "[ . 1 . 2]"
1 121 LEU 5.292 0.316 19 0 "[ . 1 . 2]"
1 122 ALA 7.304 0.348 7 0 "[ . 1 . 2]"
1 123 LEU 0.016 0.013 19 0 "[ . 1 . 2]"
1 124 HIS 1.307 0.176 20 0 "[ . 1 . 2]"
1 126 TYR 4.935 0.348 7 0 "[ . 1 . 2]"
1 133 PHE 7.623 0.312 3 0 "[ . 1 . 2]"
1 134 LEU 11.416 0.372 2 0 "[ . 1 . 2]"
1 135 GLY 8.933 0.321 20 0 "[ . 1 . 2]"
1 136 GLN 6.111 0.410 3 0 "[ . 1 . 2]"
1 137 VAL 8.262 0.312 3 0 "[ . 1 . 2]"
1 138 THR 13.815 0.372 2 0 "[ . 1 . 2]"
1 139 ARG 12.833 0.321 20 0 "[ . 1 . 2]"
1 140 PHE 7.119 0.410 3 0 "[ . 1 . 2]"
1 141 VAL 6.319 0.333 4 0 "[ . 1 . 2]"
1 142 VAL 12.823 0.367 10 0 "[ . 1 . 2]"
1 143 ASP 3.900 0.262 10 0 "[ . 1 . 2]"
1 144 PHE 1.008 0.130 5 0 "[ . 1 . 2]"
1 145 MET 5.681 0.333 4 0 "[ . 1 . 2]"
1 146 LEU 10.424 0.367 10 0 "[ . 1 . 2]"
1 150 ILE 1.253 0.145 10 0 "[ . 1 . 2]"
1 151 ALA 11.328 0.382 5 0 "[ . 1 . 2]"
1 152 ARG 9.076 0.322 20 0 "[ . 1 . 2]"
1 153 TRP 10.476 0.331 10 0 "[ . 1 . 2]"
1 154 ILE 1.253 0.145 10 0 "[ . 1 . 2]"
1 155 ALA 11.328 0.382 5 0 "[ . 1 . 2]"
1 156 GLN 9.076 0.322 20 0 "[ . 1 . 2]"
1 157 ARG 10.476 0.331 10 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 6 SER O 1 10 VAL H . . 1.800 1.951 1.827 2.041 0.241 8 0 "[ . 1 . 2]" 4
2 1 6 SER O 1 10 VAL N . . 3.000 2.855 2.670 2.977 . 0 0 "[ . 1 . 2]" 4
3 1 7 GLU O 1 11 ALA H . . 1.800 2.025 1.850 2.104 0.304 20 0 "[ . 1 . 2]" 4
4 1 7 GLU O 1 11 ALA N . . 2.700 2.947 2.796 3.050 0.350 20 0 "[ . 1 . 2]" 4
5 1 9 GLN O 1 13 ASP H . . 1.800 2.078 2.018 2.146 0.346 4 0 "[ . 1 . 2]" 4
6 1 9 GLN O 1 13 ASP N . . 3.000 3.030 2.953 3.092 0.092 4 0 "[ . 1 . 2]" 4
7 1 10 VAL O 1 14 THR H . . 1.800 1.946 1.889 2.057 0.257 6 0 "[ . 1 . 2]" 4
8 1 10 VAL O 1 14 THR N . . 2.700 2.747 2.694 2.832 0.132 6 0 "[ . 1 . 2]" 4
9 1 11 ALA O 1 15 GLU H . . 1.800 2.132 2.069 2.282 0.482 20 0 "[ . 1 . 2]" 4
10 1 11 ALA O 1 15 GLU N . . 2.700 3.099 3.044 3.225 0.525 6 2 "[ .+ 1 . -]" 4
11 1 12 GLN O 1 16 GLU H . . 1.800 2.125 2.084 2.254 0.454 18 0 "[ . 1 . 2]" 4
12 1 12 GLN O 1 16 GLU N . . 3.000 3.080 3.033 3.233 0.233 18 0 "[ . 1 . 2]" 4
13 1 13 ASP O 1 17 VAL H . . 1.800 1.879 1.776 2.126 0.326 18 0 "[ . 1 . 2]" 4
14 1 13 ASP O 1 17 VAL N . . 2.700 2.809 2.696 3.019 0.319 18 0 "[ . 1 . 2]" 4
15 1 14 THR O 1 18 PHE H . . 1.800 1.865 1.809 1.923 0.123 20 0 "[ . 1 . 2]" 4
16 1 14 THR O 1 18 PHE N . . 2.700 2.731 2.665 2.805 0.105 20 0 "[ . 1 . 2]" 4
17 1 15 GLU O 1 19 ARG H . . 1.800 2.105 2.082 2.136 0.336 18 0 "[ . 1 . 2]" 4
18 1 15 GLU O 1 19 ARG N . . 2.700 3.066 3.020 3.100 0.400 12 0 "[ . 1 . 2]" 4
19 1 16 GLU O 1 20 SER H . . 1.800 2.064 1.996 2.115 0.315 14 0 "[ . 1 . 2]" 4
20 1 16 GLU O 1 20 SER N . . 2.700 3.033 2.953 3.091 0.391 14 0 "[ . 1 . 2]" 4
21 1 17 VAL O 1 21 TYR H . . 1.800 1.847 1.785 1.943 0.143 18 0 "[ . 1 . 2]" 4
22 1 17 VAL O 1 21 TYR N . . 2.700 2.692 2.667 2.811 0.111 18 0 "[ . 1 . 2]" 4
23 1 18 PHE O 1 22 VAL H . . 1.800 2.038 1.951 2.096 0.296 20 0 "[ . 1 . 2]" 4
24 1 18 PHE O 1 22 VAL N . . 2.700 3.011 2.920 3.072 0.372 14 0 "[ . 1 . 2]" 4
25 1 19 ARG O 1 23 PHE H . . 2.000 2.053 2.000 2.109 0.109 18 0 "[ . 1 . 2]" 4
26 1 19 ARG O 1 23 PHE N . . 3.000 2.916 2.868 2.996 . 0 0 "[ . 1 . 2]" 4
27 1 20 SER O 1 24 TYR H . . 1.800 1.928 1.842 2.026 0.226 18 0 "[ . 1 . 2]" 4
28 1 20 SER O 1 24 TYR N . . 2.700 2.791 2.726 2.948 0.248 1 0 "[ . 1 . 2]" 4
29 1 21 TYR O 1 25 ARG H . . 1.800 1.987 1.833 2.060 0.260 12 0 "[ . 1 . 2]" 4
30 1 21 TYR O 1 25 ARG N . . 2.700 2.947 2.811 3.025 0.325 12 0 "[ . 1 . 2]" 4
31 1 22 VAL O 1 26 HIS H . . 1.800 2.034 1.818 2.124 0.324 15 0 "[ . 1 . 2]" 4
32 1 22 VAL O 1 26 HIS N . . 2.700 2.956 2.752 3.059 0.359 6 0 "[ . 1 . 2]" 4
33 1 23 PHE O 1 27 GLN H . . 1.800 2.011 1.936 2.065 0.265 9 0 "[ . 1 . 2]" 4
34 1 23 PHE O 1 27 GLN N . . 2.700 2.844 2.739 3.002 0.302 20 0 "[ . 1 . 2]" 4
35 1 57 VAL O 1 61 LEU H . . 2.000 2.013 1.949 2.072 0.072 8 0 "[ . 1 . 2]" 4
36 1 57 VAL O 1 61 LEU N . . 3.000 2.984 2.927 3.033 0.033 8 0 "[ . 1 . 2]" 4
37 1 58 GLY O 1 62 ALA H . . 2.000 1.965 1.821 2.036 0.036 17 0 "[ . 1 . 2]" 4
38 1 58 GLY O 1 62 ALA N . . 3.000 2.880 2.749 2.951 . 0 0 "[ . 1 . 2]" 4
39 1 60 GLN O 1 63 ILE H . . 2.000 2.031 1.976 2.067 0.067 8 0 "[ . 1 . 2]" 4
40 1 60 GLN O 1 63 ILE N . . 3.000 2.754 2.708 2.798 . 0 0 "[ . 1 . 2]" 4
41 1 60 GLN O 1 64 ILE H . . 2.000 2.037 1.921 2.093 0.093 17 0 "[ . 1 . 2]" 4
42 1 60 GLN O 1 64 ILE N . . 3.000 2.990 2.879 3.041 0.041 17 0 "[ . 1 . 2]" 4
43 1 61 LEU O 1 65 GLY H . . 1.800 2.047 2.008 2.109 0.309 1 0 "[ . 1 . 2]" 4
44 1 61 LEU O 1 65 GLY N . . 2.700 2.855 2.749 2.951 0.251 19 0 "[ . 1 . 2]" 4
45 1 65 GLY O 1 69 ASN H . . 1.800 1.997 1.895 2.054 0.254 16 0 "[ . 1 . 2]" 4
46 1 65 GLY O 1 69 ASN N . . 2.700 2.883 2.746 2.993 0.293 16 0 "[ . 1 . 2]" 4
47 1 66 ASP O 1 70 ARG N . . 3.000 3.077 2.916 3.171 0.171 6 0 "[ . 1 . 2]" 4
48 1 67 ASP O 1 71 ARG H . . 1.800 1.958 1.874 2.084 0.284 18 0 "[ . 1 . 2]" 4
49 1 67 ASP O 1 71 ARG N . . 2.700 2.740 2.693 2.820 0.120 18 0 "[ . 1 . 2]" 4
50 1 68 ILE O 1 72 TYR H . . 2.000 2.069 1.933 2.141 0.141 5 0 "[ . 1 . 2]" 4
51 1 68 ILE O 1 72 TYR N . . 3.000 3.038 2.909 3.104 0.104 5 0 "[ . 1 . 2]" 4
52 1 69 ASN O 1 73 ASP N . . 3.000 2.633 2.496 2.741 . 0 0 "[ . 1 . 2]" 4
53 1 76 PHE O 1 80 LEU H . . 1.800 2.081 1.900 2.191 0.391 11 0 "[ . 1 . 2]" 4
54 1 76 PHE O 1 80 LEU N . . 2.700 2.950 2.726 3.107 0.407 4 0 "[ . 1 . 2]" 4
55 1 77 GLN O 1 81 GLN H . . 1.800 2.010 1.800 2.089 0.289 6 0 "[ . 1 . 2]" 4
56 1 77 GLN O 1 81 GLN N . . 2.700 2.894 2.736 2.998 0.298 6 0 "[ . 1 . 2]" 4
57 1 89 ASN O 1 93 TYR H . . 1.800 2.054 1.987 2.121 0.321 5 0 "[ . 1 . 2]" 4
58 1 89 ASN O 1 93 TYR N . . 2.700 2.955 2.816 3.050 0.350 10 0 "[ . 1 . 2]" 4
59 1 90 ALA O 1 94 PHE H . . 1.800 1.911 1.797 2.028 0.228 17 0 "[ . 1 . 2]" 4
60 1 90 ALA O 1 94 PHE N . . 2.700 2.860 2.721 2.992 0.292 18 0 "[ . 1 . 2]" 4
61 1 91 TYR O 1 95 THR H . . 2.000 1.872 1.800 2.013 0.013 11 0 "[ . 1 . 2]" 4
62 1 91 TYR O 1 95 THR N . . 3.000 2.804 2.733 2.935 . 0 0 "[ . 1 . 2]" 4
63 1 93 TYR O 1 97 ILE H . . 1.800 2.107 2.059 2.138 0.338 10 0 "[ . 1 . 2]" 4
64 1 93 TYR O 1 97 ILE N . . 2.700 3.042 3.004 3.080 0.380 9 0 "[ . 1 . 2]" 4
65 1 94 PHE O 1 98 ALA H . . 1.800 2.039 1.963 2.081 0.281 3 0 "[ . 1 . 2]" 4
66 1 94 PHE O 1 98 ALA N . . 2.700 3.006 2.932 3.043 0.343 3 0 "[ . 1 . 2]" 4
67 1 95 THR O 1 99 THR H . . 1.800 2.068 2.043 2.092 0.292 4 0 "[ . 1 . 2]" 4
68 1 95 THR O 1 99 THR N . . 2.700 3.002 2.975 3.033 0.333 14 0 "[ . 1 . 2]" 4
69 1 96 LYS O 1 100 SER H . . 1.800 2.020 1.925 2.061 0.261 14 0 "[ . 1 . 2]" 4
70 1 96 LYS O 1 100 SER N . . 2.700 2.914 2.823 3.015 0.315 9 0 "[ . 1 . 2]" 4
71 1 97 ILE O 1 101 LEU H . . 2.000 2.087 2.021 2.129 0.129 14 0 "[ . 1 . 2]" 4
72 1 97 ILE O 1 101 LEU N . . 3.000 2.960 2.898 3.066 0.066 14 0 "[ . 1 . 2]" 4
73 1 98 ALA O 1 102 PHE H . . 2.000 1.789 1.741 1.937 . 0 0 "[ . 1 . 2]" 4
74 1 98 ALA O 1 102 PHE N . . 3.000 2.758 2.719 2.906 . 0 0 "[ . 1 . 2]" 4
75 1 107 ASN O 1 111 VAL H . . 2.000 2.096 2.022 2.148 0.148 17 0 "[ . 1 . 2]" 4
76 1 107 ASN O 1 111 VAL N . . 3.000 3.036 2.983 3.095 0.095 4 0 "[ . 1 . 2]" 4
77 1 109 GLY O 1 113 ALA H . . 2.000 2.076 1.976 2.178 0.178 1 0 "[ . 1 . 2]" 4
78 1 109 GLY O 1 113 ALA N . . 3.000 3.025 2.894 3.106 0.106 1 0 "[ . 1 . 2]" 4
79 1 110 ARG O 1 114 LEU H . . 1.800 2.022 1.909 2.114 0.314 6 0 "[ . 1 . 2]" 4
80 1 110 ARG O 1 114 LEU N . . 2.700 2.952 2.863 3.013 0.313 6 0 "[ . 1 . 2]" 4
81 1 112 VAL O 1 116 GLY H . . 1.800 2.062 1.992 2.114 0.314 9 0 "[ . 1 . 2]" 4
82 1 112 VAL O 1 116 GLY N . . 3.000 3.025 2.931 3.089 0.089 9 0 "[ . 1 . 2]" 4
83 1 113 ALA O 1 117 PHE H . . 2.000 2.045 1.867 2.113 0.113 1 0 "[ . 1 . 2]" 4
84 1 113 ALA O 1 117 PHE N . . 3.000 3.018 2.838 3.083 0.083 1 0 "[ . 1 . 2]" 4
85 1 114 LEU O 1 118 GLY H . . 1.800 2.069 2.031 2.111 0.311 4 0 "[ . 1 . 2]" 4
86 1 114 LEU O 1 118 GLY N . . 2.700 2.834 2.751 2.899 0.199 19 0 "[ . 1 . 2]" 4
87 1 115 LEU O 1 119 TYR H . . 2.000 2.161 2.118 2.214 0.214 12 0 "[ . 1 . 2]" 4
88 1 115 LEU O 1 119 TYR N . . 3.000 3.123 3.086 3.175 0.175 12 0 "[ . 1 . 2]" 4
89 1 117 PHE O 1 121 LEU H . . 1.800 1.901 1.788 2.057 0.257 19 0 "[ . 1 . 2]" 4
90 1 117 PHE O 1 121 LEU N . . 2.700 2.862 2.732 3.016 0.316 19 0 "[ . 1 . 2]" 4
91 1 118 GLY O 1 122 ALA H . . 2.000 2.091 2.043 2.183 0.183 12 0 "[ . 1 . 2]" 4
92 1 118 GLY O 1 122 ALA N . . 3.000 3.022 2.969 3.112 0.112 19 0 "[ . 1 . 2]" 4
93 1 119 TYR O 1 123 LEU H . . 2.000 1.904 1.794 2.013 0.013 19 0 "[ . 1 . 2]" 4
94 1 119 TYR O 1 123 LEU N . . 3.000 2.771 2.673 2.932 . 0 0 "[ . 1 . 2]" 4
95 1 120 ARG O 1 124 HIS H . . 2.000 2.055 1.888 2.176 0.176 20 0 "[ . 1 . 2]" 4
96 1 120 ARG O 1 124 HIS N . . 3.000 2.867 2.734 3.083 0.083 20 0 "[ . 1 . 2]" 4
97 1 122 ALA O 1 126 TYR H . . 1.800 2.031 1.817 2.148 0.348 7 0 "[ . 1 . 2]" 4
98 1 122 ALA O 1 126 TYR N . . 3.000 2.942 2.723 3.120 0.120 7 0 "[ . 1 . 2]" 4
99 1 133 PHE O 1 137 VAL H . . 1.800 1.957 1.774 2.112 0.312 3 0 "[ . 1 . 2]" 4
100 1 133 PHE O 1 137 VAL N . . 2.700 2.923 2.747 3.006 0.306 10 0 "[ . 1 . 2]" 4
101 1 134 LEU O 1 138 THR H . . 1.800 2.049 2.003 2.100 0.300 20 0 "[ . 1 . 2]" 4
102 1 134 LEU O 1 138 THR N . . 2.700 3.021 2.981 3.072 0.372 2 0 "[ . 1 . 2]" 4
103 1 135 GLY O 1 139 ARG H . . 1.800 2.010 1.969 2.064 0.264 20 0 "[ . 1 . 2]" 4
104 1 135 GLY O 1 139 ARG N . . 2.700 2.936 2.843 3.021 0.321 20 0 "[ . 1 . 2]" 4
105 1 136 GLN O 1 140 PHE H . . 1.800 1.942 1.798 2.196 0.396 3 0 "[ . 1 . 2]" 4
106 1 136 GLN O 1 140 PHE N . . 2.700 2.862 2.681 3.110 0.410 3 0 "[ . 1 . 2]" 4
107 1 137 VAL O 1 141 VAL H . . 2.000 1.996 1.771 2.141 0.141 20 0 "[ . 1 . 2]" 4
108 1 137 VAL O 1 141 VAL N . . 3.000 2.947 2.751 3.045 0.045 3 0 "[ . 1 . 2]" 4
109 1 138 THR O 1 142 VAL H . . 2.000 2.072 2.000 2.248 0.248 20 0 "[ . 1 . 2]" 4
110 1 138 THR O 1 142 VAL N . . 3.000 3.043 2.964 3.210 0.210 20 0 "[ . 1 . 2]" 4
111 1 139 ARG O 1 143 ASP H . . 1.800 1.905 1.741 2.061 0.261 10 0 "[ . 1 . 2]" 4
112 1 139 ARG O 1 143 ASP N . . 2.700 2.787 2.698 2.962 0.262 10 0 "[ . 1 . 2]" 4
113 1 140 PHE O 1 144 PHE H . . 2.000 1.975 1.798 2.130 0.130 5 0 "[ . 1 . 2]" 4
114 1 140 PHE O 1 144 PHE N . . 3.000 2.926 2.747 3.095 0.095 5 0 "[ . 1 . 2]" 4
115 1 141 VAL O 1 145 MET H . . 1.800 1.933 1.768 2.115 0.315 4 0 "[ . 1 . 2]" 4
116 1 141 VAL O 1 145 MET N . . 2.700 2.848 2.722 3.033 0.333 4 0 "[ . 1 . 2]" 4
117 1 142 VAL O 1 146 LEU H . . 1.800 2.051 1.936 2.109 0.309 10 0 "[ . 1 . 2]" 4
118 1 142 VAL O 1 146 LEU N . . 2.700 2.970 2.813 3.067 0.367 10 0 "[ . 1 . 2]" 4
119 1 150 ILE O 1 154 ILE H . . 2.000 2.011 1.767 2.145 0.145 10 0 "[ . 1 . 2]" 4
120 1 150 ILE O 1 154 ILE N . . 3.000 2.976 2.744 3.087 0.087 10 0 "[ . 1 . 2]" 4
121 1 151 ALA O 1 155 ALA H . . 1.800 2.053 2.002 2.113 0.313 5 0 "[ . 1 . 2]" 4
122 1 151 ALA O 1 155 ALA N . . 2.700 3.013 2.935 3.082 0.382 5 0 "[ . 1 . 2]" 4
123 1 152 ARG O 1 156 GLN H . . 1.800 2.068 2.031 2.122 0.322 20 0 "[ . 1 . 2]" 4
124 1 152 ARG O 1 156 GLN N . . 2.700 2.886 2.758 2.952 0.252 20 0 "[ . 1 . 2]" 4
125 1 153 TRP O 1 157 ARG H . . 1.800 2.071 2.013 2.131 0.331 10 0 "[ . 1 . 2]" 4
126 1 153 TRP O 1 157 ARG N . . 2.700 2.953 2.894 3.002 0.302 10 0 "[ . 1 . 2]" 4
stop_
save_
Contact the webmaster for help, if required. Sunday, May 12, 2024 7:16:44 PM GMT (wattos1)