NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
390191 |
1o5p   |
5969 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1o5p
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 938
_Distance_constraint_stats_list.Viol_count 17599
_Distance_constraint_stats_list.Viol_total 1023073.625
_Distance_constraint_stats_list.Viol_max 10.626
_Distance_constraint_stats_list.Viol_rms 1.1691
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3030
_Distance_constraint_stats_list.Viol_average_violations_only 0.9689
_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 1.967 0.332 2 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 2 ALA 13.782 0.603 8 5 "[ . + 1 . 2 ** 3 . - 4 * . 5 . 6]"
1 3 PRO 32.689 0.535 45 5 "[ . 1 . 2 . 3 . 4 + * 5* .* -6]"
1 4 THR 231.118 3.181 28 60 [***************************+********-***********************]
1 5 ALA 100.608 1.422 25 60 [************************+******************-****************]
1 6 THR 73.603 0.897 2 60 [*+**********************************************-***********]
1 7 VAL 264.600 2.373 23 60 [**********************+*************************-***********]
1 8 THR 75.638 0.934 19 60 [******************+*******************-*********************]
1 9 PRO 28.475 0.352 9 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 10 SER 200.884 0.934 19 60 [******************+*********************************-*******]
1 11 SER 36.768 0.502 48 1 "[ . 1 . 2 . 3 . 4 . + 5 . 6]"
1 12 GLY 54.210 0.808 48 60 [***********************************************+***-********]
1 13 LEU 355.521 1.438 43 60 [******************************************+****-************]
1 14 SER 63.351 0.416 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 15 ASP 6.546 0.143 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 16 GLY 22.607 0.593 53 14 "[ .* 1 *.* 2* . * ** . 4 . -**+*** 6]"
1 17 THR 97.530 0.785 15 60 [**************+*****-***************************************]
1 18 VAL 118.211 1.438 43 60 [***************************-**************+*****************]
1 19 VAL 8.452 0.339 9 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 20 LYS 19.707 0.352 9 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 21 VAL 235.916 2.373 23 60 [**********************+****************-********************]
1 22 ALA 244.958 1.385 16 60 [***************+*****-**************************************]
1 23 GLY 466.239 1.677 51 60 [*********************-****************************+*********]
1 24 ALA 121.015 1.605 9 60 [********+************************-**************************]
1 25 GLY 113.855 1.207 52 60 [****************-**********************************+********]
1 26 LEU 843.846 3.181 28 60 [***************************+******************************-*]
1 27 GLN 13.402 0.226 29 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 28 ALA 2.891 0.083 17 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 30 THR 85.995 0.812 23 60 [**********************+***-*********************************]
1 31 ALA 63.277 0.812 23 17 "[ . * 1 ** . * + * - ** .** 4** .** 5* .* 6]"
1 32 TYR 33.759 0.630 26 6 "[ * 1 . 2 *.+ 3 . -4 . 5 * *. 6]"
1 33 ASP 28.010 0.451 35 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 34 VAL 133.469 1.852 8 60 [*******+***************-************************************]
1 35 GLY 594.736 9.913 32 60 [*******************************+*********************-******]
1 36 GLN 1219.914 10.626 46 60 [*-*******************************************+**************]
1 37 CYS 873.933 8.850 46 60 [******-**************************************+**************]
1 38 ALA 218.091 1.036 48 60 [***-*******************************************+************]
1 39 TRP 1342.112 5.591 23 60 [************-*********+*************************************]
1 40 VAL 712.630 1.899 22 60 [*********************+*****************-********************]
1 41 ASP 144.812 1.116 10 60 [******-**+**************************************************]
1 42 THR 133.526 1.207 47 60 [*****-****************************************+*************]
1 43 GLY 75.970 1.236 38 60 [*************************************+**************-*******]
1 44 VAL 429.176 1.268 8 60 [*******+*******************************************-********]
1 45 LEU 1702.179 5.626 17 60 [****************+****************************************-**]
1 46 ALA 302.796 1.505 30 60 [***-*************************+******************************]
1 47 CYS 31.101 0.571 5 10 "[ *+* *1 . * -. *3 .* 4* . 5 *. 6]"
1 48 ASN 86.041 0.692 27 34 "[* *.*** 1*** .****** *** + 3* **** 4 ***.* * - ** * * *]"
1 49 PRO 47.328 0.494 24 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 50 ALA 39.423 0.494 24 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 51 ASP 39.338 0.731 17 41 "[*** **** ** * **+ **-* *.* ** * **** *****. ** ** * **** *]"
1 52 PHE 9.976 0.233 43 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 53 SER 159.327 1.852 8 60 [*******+***************-************************************]
1 54 SER 24.096 0.406 58 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 55 VAL 95.801 1.252 20 60 [*******************+**************-*************************]
1 56 THR 85.371 1.252 20 60 [*******************+**************-*************************]
1 57 ALA 65.488 0.758 32 60 [***********-*******************+****************************]
1 58 ASP 43.040 0.351 19 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 59 ALA 72.936 0.733 41 60 [*******************-********************+*******************]
1 60 ASN 67.773 0.733 41 60 [*******************-********************+*******************]
1 61 GLY 138.925 0.852 53 60 [************************************************-***+*******]
1 62 SER 110.189 1.351 34 60 [********-************************+**************************]
1 63 ALA 128.419 0.928 33 60 [********************************+***********-***************]
1 64 SER 1.597 0.146 57 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 65 THR 85.158 0.834 50 48 "[*****-***** * * *********** *3** **** *** *.****+*** *****6]"
1 66 SER 12.340 0.805 1 6 "[+ * 1 * . 2 . 3-* . 4 . 5 * . 6]"
1 67 LEU 117.515 1.177 50 60 [*-***********************************************+**********]
1 68 THR 84.844 0.807 48 60 [***********-***********************************+************]
1 69 VAL 105.488 0.968 47 60 [**********************************************+**********-**]
1 70 ARG 78.769 0.968 47 60 [**********************************************+**-**********]
1 71 ARG 84.941 0.740 33 60 [********************************+**************-************]
1 72 SER 55.858 0.740 33 60 [********************************+**************-************]
1 73 PHE 139.912 1.131 43 60 [******-***********************************+*****************]
1 74 GLU 26.636 0.638 11 2 "[ . 1+ . - 2 . 3 . 4 . 5 . 6]"
1 75 GLY 187.757 1.935 11 60 [**********+********************************-****************]
1 76 PHE 207.459 2.053 53 60 [**************************************************-*+*******]
1 77 LEU 419.949 1.900 59 60 [**************************************************-*******+*]
1 78 PHE 533.951 3.514 44 60 [*******************************************+****************]
1 79 ASP 30.083 0.938 53 18 "[ **** *1* *- * 2* .** * * 4 * *. 5* + . 6]"
1 80 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 81 THR 99.821 1.739 17 60 [****************+***********************************-*******]
1 82 ARG 68.219 0.839 49 60 [************************************************+********-**]
1 83 TRP 245.206 1.592 31 60 [******************************+********-********************]
1 84 GLY 64.882 0.839 49 60 [************************-***********************+***********]
1 85 THR 9.163 1.066 57 1 "[ . 1 . 2 . 3 . 4 . 5 . + 6]"
1 86 VAL 533.361 2.053 53 60 [*******************************************-********+*******]
1 87 ASP 54.854 0.807 10 60 [*********+*********************************-****************]
1 88 CYS 79.586 1.267 25 60 [********-***************+***********************************]
1 89 THR 3.155 0.479 42 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 90 THR 22.622 0.609 47 1 "[ . 1 . 2 . 3 . 4 . + 5 . 6]"
1 91 ALA 34.097 0.685 39 36 "[* **. ** 1 **.* * *** *.** ** **-. * +** * *** **** *.* **]"
1 92 ALA 138.147 1.142 48 60 [*********************************-*************+************]
1 93 CYS 96.770 0.733 10 60 [******-**+**************************************************]
1 94 GLN 958.413 8.237 5 60 [****+*********************-*********************************]
1 95 VAL 1262.870 10.480 59 60 [*****************************************************-****+*]
1 96 GLY 1644.567 10.550 59 60 [*********************************************************-+*]
1 97 LEU 993.626 7.777 46 60 [*********-***********************************+**************]
1 98 SER 505.856 2.784 55 60 [****************************************-*************+*****]
1 99 ASP 4.829 0.112 38 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 100 ALA 4.285 0.112 38 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 101 ALA 36.110 0.674 54 59 "[********************************************* *******+**-***]"
1 102 GLY 46.773 0.674 54 59 "[********************************************* *******+**-***]"
1 103 ASN 21.011 0.233 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 104 GLY 123.755 0.961 8 60 [*******+********************************-*******************]
1 105 PRO 180.382 1.255 49 60 [*********-**************************************+***********]
1 106 GLU 19.787 0.475 1 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 107 GLY 529.408 8.782 27 60 [**************************+***************-*****************]
1 108 VAL 38.888 0.829 57 4 "[ . 1 . 2 . 3 . - 4 * 5* . + 6]"
1 109 ALA 19.919 0.829 57 4 "[ . 1 . 2 . 3 . - 4 * 5* . + 6]"
1 110 ILE 67.641 0.706 16 53 "[***************+ *********** **** **** ** * ** *****-*******]"
1 111 SER 60.629 1.129 17 60 [****************+*********************************-*********]
1 112 PHE 20.835 0.380 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 113 ASN 3.571 0.380 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
2 1 CHR 9871.781 10.626 46 60 [******-**************************************+**************]
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 2 ALA H 1 2 ALA MB 2.640 . 3.140 2.318 2.046 2.514 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
2 1 4 THR H 1 4 THR MG 3.530 2.640 4.030 2.987 2.378 3.489 0.262 51 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
3 1 4 THR H 1 4 THR HB 3.470 2.720 3.970 3.802 3.667 3.870 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
4 1 5 ALA H 1 5 ALA MB 2.940 2.010 3.440 2.745 2.614 2.830 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
5 1 6 THR H 1 6 THR MG 3.210 2.300 3.710 2.545 2.114 3.036 0.186 7 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
6 1 6 THR H 1 6 THR HB 3.500 2.750 4.000 3.224 2.868 3.648 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
7 1 7 VAL H 1 7 VAL QG 3.250 . 3.750 2.468 2.152 2.624 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
8 1 7 VAL H 1 7 VAL HB 2.820 2.070 3.320 2.799 2.697 3.000 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
9 1 8 THR H 1 8 THR HB 3.310 2.560 3.810 2.930 2.755 3.040 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
10 1 8 THR H 1 8 THR MG 3.900 3.020 4.400 3.641 3.569 3.701 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
11 1 10 SER H 1 10 SER QB 3.860 3.000 4.360 2.704 2.565 2.906 0.435 39 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
12 1 11 SER H 1 11 SER QB 2.930 2.040 3.430 2.824 2.621 2.975 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
13 1 13 LEU H 1 13 LEU QD 3.480 2.710 4.080 3.078 3.015 3.096 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
14 1 13 LEU H 1 13 LEU HG 2.800 2.050 3.300 2.398 2.370 2.420 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
15 1 13 LEU H 1 13 LEU QB 2.870 . 3.370 2.178 2.164 2.222 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
16 1 14 SER H 1 14 SER QB 2.540 . 3.040 2.974 2.955 2.982 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
17 1 15 ASP H 1 15 ASP QB 2.610 . 3.110 2.361 2.318 2.632 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
18 1 17 THR H 1 17 THR MG 3.130 2.220 3.630 2.172 2.039 2.228 0.181 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
19 1 17 THR H 1 17 THR HB 2.630 . 3.130 2.866 2.828 2.889 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
20 1 18 VAL H 1 18 VAL HB 2.500 . 3.000 2.779 2.688 2.859 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
21 1 18 VAL H 1 18 VAL MG2 2.990 2.070 3.490 2.658 2.552 2.764 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
22 1 19 VAL H 1 19 VAL HB 3.670 2.920 4.170 3.762 3.712 3.789 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
23 1 19 VAL H 1 19 VAL QG 3.010 . 3.510 1.902 1.813 2.121 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
24 1 21 VAL H 1 21 VAL QG 3.150 . 3.650 1.838 1.801 1.929 0.039 40 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
25 1 21 VAL H 1 21 VAL HB 2.710 . 3.210 3.067 2.843 3.122 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
26 1 22 ALA H 1 22 ALA MB 3.170 2.260 3.670 2.507 2.393 2.616 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
27 1 24 ALA H 1 24 ALA MB 3.090 2.170 3.590 2.541 2.297 2.700 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
28 1 26 LEU H 1 26 LEU QD 3.470 2.570 3.950 2.793 2.730 2.837 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
29 1 26 LEU H 1 26 LEU HG 2.530 . 3.030 1.731 1.712 1.743 0.068 59 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
30 1 26 LEU H 1 26 LEU QB 2.490 . 2.990 2.769 2.738 2.798 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
31 1 27 GLN H 1 27 GLN QB 3.000 2.110 3.600 2.119 2.089 2.141 0.021 51 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
32 1 27 GLN H 1 27 GLN QE 3.580 2.720 4.080 2.533 2.494 2.552 0.226 29 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
33 1 27 GLN H 1 27 GLN QG 3.230 2.350 3.830 3.612 3.598 3.638 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
34 1 28 ALA H 1 28 ALA MB 2.620 . 3.120 2.225 2.184 2.248 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
35 1 30 THR H 1 30 THR MG 3.510 2.610 4.010 2.918 2.578 3.156 0.032 8 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
36 1 31 ALA H 1 31 ALA MB 2.660 . 3.160 2.152 2.040 2.254 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
37 1 32 TYR CG 1 32 TYR H 3.960 2.610 6.060 3.603 3.440 3.778 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
38 1 32 TYR H 1 32 TYR QB 2.910 2.020 3.410 2.340 2.236 2.403 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
39 1 33 ASP H 1 33 ASP HB3 2.990 . 3.590 3.252 3.091 3.538 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
40 1 33 ASP H 1 33 ASP HB2 2.900 . 3.500 2.387 2.313 2.466 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
41 1 34 VAL H 1 34 VAL QG 3.360 2.090 3.860 2.319 2.127 3.116 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
42 1 34 VAL H 1 34 VAL HB 3.010 2.260 3.510 3.015 2.435 3.168 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
43 1 36 GLN QE 1 36 GLN QG 3.240 2.400 3.740 2.140 2.118 2.213 0.282 25 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
44 1 36 GLN H 1 36 GLN HB2 2.900 . 3.400 3.553 3.507 3.584 0.184 57 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
45 1 36 GLN H 1 36 GLN HB3 3.180 2.180 3.680 2.306 2.256 2.360 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
46 1 36 GLN H 1 36 GLN QG 3.480 2.610 3.980 2.941 2.808 3.127 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
47 1 37 CYS H 1 37 CYS QB 3.120 2.120 3.520 2.875 2.656 2.934 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
48 1 38 ALA H 1 38 ALA MB 3.510 2.610 4.010 2.374 2.310 2.489 0.300 3 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
49 1 39 TRP H 1 39 TRP QB 2.820 . 3.320 2.240 2.231 2.246 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
50 1 39 TRP H 1 39 TRP HE3 2.910 2.160 3.410 3.443 3.435 3.464 0.054 35 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
51 1 40 VAL H 1 40 VAL HB 3.190 2.440 3.690 3.701 3.695 3.708 0.018 43 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
52 1 40 VAL H 1 40 VAL QG 3.750 2.860 3.820 1.910 1.792 2.076 1.068 34 60 [**-******************************+**************************] 1
53 1 41 ASP H 1 41 ASP QB 2.930 2.040 3.430 2.996 2.987 3.004 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
54 1 42 THR H 1 42 THR MG 3.720 2.830 4.220 2.575 2.126 3.465 0.704 2 28 "[ +**.-* 1* .****2* * . * 3 * .** *4 * * ***5* **. * **]" 1
55 1 44 VAL H 1 44 VAL HB 2.800 2.050 3.300 2.851 2.800 2.893 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
56 1 44 VAL H 1 44 VAL QG 3.290 2.990 3.790 2.199 2.165 2.224 0.825 43 60 [******************************************+*-***************] 1
57 1 45 LEU H 1 45 LEU QD 5.260 4.490 5.760 3.682 3.646 3.710 0.844 53 60 [****************************************************+****-**] 1
58 1 46 ALA H 1 46 ALA MB 3.400 2.500 3.900 2.185 2.132 2.264 0.368 6 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
59 1 47 CYS H 1 47 CYS HB2 3.440 2.440 4.040 2.627 2.374 2.700 0.066 17 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
60 1 47 CYS H 1 47 CYS HB3 3.580 2.580 4.180 2.919 2.801 3.670 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
61 1 48 ASN H 1 48 ASN QB 3.600 2.740 4.100 2.440 2.343 2.532 0.397 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
62 1 50 ALA H 1 50 ALA MB 2.810 . 3.310 2.421 2.171 2.527 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
63 1 51 ASP H 1 51 ASP HB3 3.120 2.120 3.720 3.710 2.860 3.862 0.142 59 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
64 1 51 ASP H 1 51 ASP HB2 3.050 2.050 3.650 3.359 2.644 3.658 0.008 21 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
65 1 52 PHE H 1 52 PHE QB 2.610 . 3.110 2.097 2.059 2.118 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
66 1 53 SER H 1 53 SER QB 2.870 . 3.370 2.378 2.282 3.042 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
67 1 54 SER H 1 54 SER QB 2.500 . 3.100 2.970 2.962 2.974 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
68 1 55 VAL H 1 55 VAL QG 3.040 . 3.540 2.239 1.984 2.339 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
69 1 55 VAL H 1 55 VAL HB 3.420 2.670 3.920 3.603 3.397 3.726 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
70 1 56 THR H 1 56 THR MG 3.770 2.880 4.270 3.615 3.601 3.633 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
71 1 56 THR H 1 56 THR HB 3.050 2.300 3.550 2.344 2.337 2.354 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
72 1 58 ASP H 1 58 ASP QB 3.160 2.280 3.660 2.295 2.134 2.392 0.146 22 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
73 1 59 ALA H 1 59 ALA MB 2.660 . 3.160 2.161 2.059 2.268 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
74 1 60 ASN H 1 60 ASN QB 2.620 . 3.120 2.381 2.277 2.649 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
75 1 62 SER H 1 62 SER QB 2.610 . 3.110 2.527 2.461 2.697 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
76 1 63 ALA H 1 63 ALA MB 3.230 2.320 3.730 2.509 2.450 2.557 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
77 1 64 SER H 1 64 SER QB 2.870 . 3.370 2.760 2.362 2.886 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
78 1 65 THR H 1 65 THR HB 3.960 3.210 4.460 3.641 3.361 3.731 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
79 1 65 THR H 1 65 THR MG 3.570 2.680 4.070 2.053 1.846 2.200 0.834 50 46 "[*****-***** * * *********** 3** **** *** *.*** +*** *****6]" 1
80 1 66 SER H 1 66 SER QB 2.810 . 3.310 2.583 2.491 2.716 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
81 1 67 LEU H 1 67 LEU QB 3.170 2.290 3.670 3.175 2.897 3.299 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
82 1 67 LEU H 1 67 LEU QD 3.180 . 3.680 1.990 1.776 3.296 0.094 4 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
83 1 68 THR H 1 68 THR MG 3.630 2.740 4.130 2.126 1.933 2.223 0.807 48 60 [***********-***********************************+************] 1
84 1 68 THR H 1 68 THR HB 3.240 2.490 3.740 3.576 2.615 3.723 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
85 1 69 VAL H 1 69 VAL QG 3.280 2.370 3.620 2.042 1.836 2.240 0.534 25 5 "[ . 1 . 2 * + 3 . * . 5* . - 6]" 1
86 1 69 VAL H 1 69 VAL HB 3.570 2.820 4.070 3.825 3.783 3.897 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
87 1 70 ARG H 1 70 ARG QB 3.530 2.660 4.030 3.201 2.775 3.281 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
88 1 70 ARG H 1 70 ARG QD 4.060 3.210 4.560 4.080 3.991 4.152 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
89 1 71 ARG H 1 71 ARG QG 3.080 2.200 3.580 1.871 1.764 2.081 0.436 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
90 1 71 ARG H 1 71 ARG QB 3.000 2.110 3.500 2.825 2.676 3.029 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
91 1 72 SER H 1 72 SER HB3 2.940 . 3.540 3.485 3.245 3.572 0.032 10 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
92 1 72 SER H 1 72 SER HB2 2.940 . 3.540 3.100 2.872 3.428 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
93 1 73 PHE H 1 73 PHE QB 3.690 2.830 4.190 3.242 3.197 3.271 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
94 1 73 PHE CG 1 73 PHE H 4.100 2.770 6.200 3.080 2.899 3.143 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
95 1 74 GLU H 1 74 GLU QB 2.540 . 3.040 2.330 2.095 2.527 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
96 1 76 PHE H 1 76 PHE HB2 3.730 2.730 4.330 2.432 2.289 2.505 0.441 44 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
97 1 76 PHE H 1 76 PHE HB3 3.710 2.710 4.310 3.649 3.530 3.666 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
98 1 77 LEU H 1 77 LEU QB 3.180 2.300 3.680 2.207 2.082 2.238 0.218 53 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
99 1 78 PHE H 1 78 PHE QB 3.200 2.320 3.700 2.246 2.230 2.306 0.090 9 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
100 1 79 ASP H 1 79 ASP HB2 3.150 2.150 3.750 3.125 2.344 3.870 0.120 9 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
101 1 79 ASP H 1 79 ASP HB3 3.020 2.020 3.620 3.290 3.116 3.629 0.009 7 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
102 1 81 THR H 1 81 THR MG 3.660 2.770 4.160 2.830 2.334 3.337 0.436 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
103 1 82 ARG H 1 82 ARG QB 2.640 . 3.140 2.546 2.075 2.628 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
104 1 82 ARG H 1 82 ARG QD 3.250 2.370 3.750 3.222 1.854 3.373 0.516 58 1 "[ . 1 . 2 . 3 . 4 . 5 . + 6]" 1
105 1 82 ARG H 1 82 ARG QG 3.190 2.310 3.690 2.452 2.231 3.270 0.079 33 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
106 1 83 TRP H 1 83 TRP QB 2.980 2.090 3.480 2.209 2.171 2.237 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
107 1 83 TRP H 1 83 TRP HE3 4.520 3.770 5.020 5.142 5.107 5.191 0.171 43 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
108 1 85 THR H 1 85 THR MG 3.550 2.660 4.050 2.951 2.770 3.538 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
109 1 86 VAL H 1 86 VAL QG 3.310 2.710 3.810 2.532 2.400 2.651 0.310 10 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
110 1 87 ASP H 1 87 ASP HB2 2.770 . 3.370 2.127 2.082 2.184 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
111 1 87 ASP H 1 87 ASP HB3 2.870 . 3.470 3.444 3.333 3.508 0.038 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
112 1 88 CYS H 1 88 CYS HB2 3.410 2.410 4.010 2.353 2.244 2.377 0.166 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
113 1 88 CYS H 1 88 CYS HB3 4.060 3.060 4.660 3.065 2.959 3.625 0.101 21 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
114 1 89 THR H 1 89 THR HB 3.750 3.000 4.250 3.586 3.461 3.669 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
115 1 89 THR H 1 89 THR MG 3.480 2.580 3.980 2.716 2.101 3.161 0.479 42 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
116 1 90 THR H 1 90 THR MG 3.270 2.360 3.770 2.145 1.922 2.469 0.438 5 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
117 1 92 ALA H 1 92 ALA MB 2.910 . 3.410 2.316 2.201 2.405 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
118 1 93 CYS H 1 93 CYS HB3 3.310 2.310 3.910 3.685 3.663 3.693 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
119 1 93 CYS H 1 93 CYS HB2 3.010 2.010 3.610 2.822 2.741 2.885 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
120 1 94 GLN H 1 94 GLN QB 3.100 2.220 3.600 2.244 2.228 2.279 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
121 1 94 GLN H 1 94 GLN HG3 2.900 2.150 3.400 3.399 3.380 3.432 0.032 45 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
122 1 94 GLN HE21 1 94 GLN HG2 3.300 2.300 3.900 3.503 3.443 3.558 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
123 1 94 GLN H 1 94 GLN QG 3.300 2.420 3.800 3.296 3.279 3.323 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
124 1 94 GLN HE21 1 94 GLN HG3 3.150 2.150 3.750 2.332 2.271 2.426 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
125 1 94 GLN HE22 1 94 GLN HG2 3.160 2.160 3.760 4.033 4.006 4.058 0.298 17 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
126 1 94 GLN HE22 1 94 GLN HG3 3.020 2.020 3.620 3.521 3.500 3.554 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
127 1 95 VAL H 1 95 VAL QG 3.160 . 3.660 2.480 2.380 2.613 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
128 1 95 VAL H 1 95 VAL HB 2.680 . 3.180 2.561 2.502 2.637 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
129 1 97 LEU H 1 97 LEU QD 4.100 3.230 4.340 2.261 2.154 2.453 1.076 9 60 [********+**************************************-************] 1
130 1 97 LEU H 1 97 LEU QB 2.970 2.220 3.470 2.922 2.865 2.996 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
131 1 97 LEU H 1 97 LEU HB2 2.860 2.110 3.360 3.041 2.972 3.135 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
132 1 98 SER H 1 98 SER QB 3.420 2.550 3.920 3.052 2.890 3.356 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
133 1 99 ASP H 1 99 ASP HB3 3.540 2.540 4.140 2.875 2.529 3.590 0.011 45 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
134 1 99 ASP H 1 99 ASP HB2 3.350 2.350 3.950 3.504 2.272 3.873 0.078 40 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
135 1 100 ALA H 1 100 ALA MB 2.900 . 3.400 2.510 2.318 3.010 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
136 1 101 ALA H 1 101 ALA MB 2.650 . 3.150 2.458 2.336 2.589 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
137 1 103 ASN HB3 1 103 ASN HD21 2.970 . 3.570 3.564 2.300 3.588 0.018 17 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
138 1 103 ASN HB2 1 103 ASN HD21 2.820 . 3.420 2.807 2.770 3.486 0.066 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
139 1 103 ASN H 1 103 ASN HB2 2.760 . 3.360 2.906 2.822 3.490 0.130 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
140 1 103 ASN H 1 103 ASN HD21 3.340 2.590 3.840 3.833 3.753 3.885 0.045 19 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
141 1 103 ASN H 1 103 ASN HB3 2.930 . 3.530 3.591 3.579 3.704 0.174 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
142 1 106 GLU H 1 106 GLU QG 2.230 . 2.730 1.962 1.821 2.386 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
143 1 108 VAL H 1 108 VAL MG1 3.240 2.330 3.740 3.193 3.165 3.230 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
144 1 108 VAL H 1 108 VAL MG2 3.420 2.520 3.920 3.365 3.341 3.415 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
145 1 108 VAL H 1 108 VAL HB 2.730 . 3.230 2.135 2.112 2.190 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
146 1 109 ALA H 1 109 ALA MB 2.830 . 3.330 2.197 2.060 2.354 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
147 1 110 ILE H 1 110 ILE HG13 2.580 . 3.080 1.982 1.929 3.051 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
148 1 110 ILE H 1 110 ILE MD 3.320 2.420 3.920 3.534 3.456 3.549 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
149 1 111 SER H 1 111 SER QB 3.010 2.120 3.510 2.675 2.513 3.088 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
150 1 112 PHE H 1 112 PHE HB2 3.260 2.260 3.860 2.628 2.558 2.701 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
151 1 112 PHE H 1 112 PHE HB3 3.090 2.090 3.690 3.783 3.735 3.822 0.132 32 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
152 1 112 PHE CG 1 112 PHE H 3.640 2.220 5.740 3.493 3.273 3.699 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
153 1 113 ASN H 1 113 ASN HB3 2.440 . 2.940 2.515 2.395 2.752 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
154 1 113 ASN HB3 1 113 ASN HD22 3.060 2.060 3.560 3.500 3.498 3.508 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
155 1 113 ASN HB2 1 113 ASN HD21 3.010 2.010 3.510 3.330 3.184 3.380 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
156 1 113 ASN H 1 113 ASN HD22 3.400 2.650 3.900 3.644 3.226 3.805 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
157 1 1 ALA MB 1 2 ALA H 3.640 2.750 4.140 3.062 2.418 3.405 0.332 2 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
158 1 1 ALA HA 1 2 ALA H 2.040 . 2.540 2.257 2.191 2.457 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
159 1 2 ALA H 1 3 PRO QD 4.670 3.830 5.170 4.260 3.589 4.344 0.241 6 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
160 1 3 PRO HB2 1 4 THR H 3.730 2.980 4.230 3.097 3.070 3.137 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
161 1 3 PRO QG 1 4 THR H 4.570 3.730 5.070 4.620 4.596 4.641 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
162 1 3 PRO HA 1 4 THR H 2.530 . 3.030 2.303 2.272 2.337 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
163 1 3 PRO HB3 1 4 THR H 3.630 2.880 4.130 3.264 3.207 3.318 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
164 1 4 THR H 1 5 ALA H 4.500 3.600 5.100 4.362 4.325 4.427 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
165 1 4 THR HA 1 5 ALA H 2.430 . 2.930 2.595 2.373 2.789 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
166 1 4 THR HB 1 5 ALA H 3.380 2.630 3.880 3.008 2.646 3.354 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
167 1 4 THR MG 1 5 ALA H 3.600 2.710 4.100 3.397 3.321 3.473 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
168 1 5 ALA H 1 6 THR H 3.600 2.700 4.200 4.128 4.073 4.191 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
169 1 5 ALA HA 1 6 THR H 2.440 . 2.940 2.059 2.025 2.095 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
170 1 6 THR H 1 7 VAL H 4.110 3.210 4.710 4.108 4.061 4.159 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
171 1 6 THR H 1 7 VAL QG 5.300 4.230 5.800 3.583 3.494 3.671 0.736 28 60 [***************************+********************-***********] 1
172 1 6 THR HB 1 7 VAL H 3.710 2.960 4.210 4.075 3.741 4.364 0.154 57 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
173 1 6 THR MG 1 7 VAL H 4.060 3.180 4.560 3.837 3.769 3.874 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
174 1 6 THR HA 1 7 VAL H 2.490 . 2.990 2.053 2.005 2.114 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
175 1 7 VAL HB 1 8 THR H 3.890 3.140 4.390 4.029 3.777 4.288 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
176 1 7 VAL QG 1 8 THR H 4.020 2.840 4.520 2.655 2.404 3.041 0.436 29 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
177 1 9 PRO HB3 1 10 SER H 3.820 3.070 4.320 3.523 3.432 3.593 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
178 1 9 PRO HB2 1 10 SER H 3.850 3.100 4.350 3.176 3.126 3.214 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
179 1 9 PRO HA 1 10 SER H 2.650 . 3.150 2.281 2.260 2.315 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
180 1 9 PRO QD 1 10 SER H 4.780 3.940 5.180 4.909 4.839 4.930 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
181 1 10 SER H 1 11 SER H 2.840 . 3.440 2.217 2.107 2.285 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
182 1 10 SER HA 1 11 SER H 4.460 3.710 4.960 3.472 3.448 3.489 0.262 39 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
183 1 11 SER QB 1 12 GLY H 2.930 2.040 3.430 2.585 2.425 2.971 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
184 1 11 SER HA 1 12 GLY H 2.790 2.040 3.290 2.422 2.330 2.480 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
185 1 11 SER H 1 12 GLY H 4.390 3.490 4.990 4.471 4.452 4.490 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
186 1 12 GLY H 1 13 LEU QD 5.820 4.980 6.160 4.201 4.172 4.230 0.808 48 60 [***********************************************+***-********] 1
187 1 12 GLY H 1 13 LEU QB 4.310 3.460 4.810 4.162 4.139 4.198 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
188 1 12 GLY H 1 13 LEU HG 4.240 3.490 4.740 3.625 3.593 3.671 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
189 1 12 GLY H 1 13 LEU H 3.370 2.470 3.970 2.405 2.373 2.442 0.097 52 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
190 1 12 GLY HA3 1 13 LEU H 3.370 2.620 3.870 3.511 3.499 3.518 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
191 1 12 GLY HA2 1 13 LEU H 3.240 2.490 3.740 2.847 2.825 2.885 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
192 1 13 LEU QD 1 14 SER H 4.410 3.860 4.910 3.812 3.795 3.823 0.065 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
193 1 13 LEU QB 1 14 SER H 3.480 2.610 3.980 2.230 2.194 2.250 0.416 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
194 1 13 LEU HA 1 14 SER H 2.550 . 3.050 3.368 3.360 3.383 0.333 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
195 1 13 LEU HG 1 14 SER H 3.580 2.830 4.080 4.020 3.974 4.039 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
196 1 14 SER QB 1 15 ASP H 3.370 2.500 3.870 3.420 3.385 3.492 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
197 1 14 SER HA 1 15 ASP H 2.730 . 3.230 2.219 2.194 2.249 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
198 1 14 SER H 1 15 ASP H 4.150 3.250 4.750 4.224 4.172 4.301 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
199 1 15 ASP H 1 16 GLY H 4.170 3.270 4.770 4.390 4.347 4.437 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
200 1 15 ASP HA 1 16 GLY H 2.870 2.120 3.370 2.180 2.129 2.197 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
201 1 15 ASP HB3 1 16 GLY H 4.210 3.460 4.710 4.483 3.610 4.522 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
202 1 15 ASP HB2 1 16 GLY H 4.260 3.510 4.760 3.774 3.702 4.253 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
203 1 16 GLY HA2 1 17 THR H 3.700 2.950 4.200 3.292 3.253 3.416 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
204 1 16 GLY HA3 1 17 THR H 3.580 2.830 4.080 3.531 3.429 3.552 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
205 1 16 GLY H 1 17 THR H 3.100 2.200 3.700 2.288 2.231 2.319 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
206 1 17 THR H 1 18 VAL H 3.520 2.620 4.120 4.340 4.325 4.360 0.240 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
207 1 17 THR HB 1 18 VAL H 2.900 2.150 3.400 3.436 3.413 3.467 0.067 31 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
208 1 17 THR HA 1 18 VAL H 2.290 . 2.790 2.577 2.497 2.631 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
209 1 17 THR MG 1 18 VAL H 3.670 2.780 4.170 2.723 2.622 2.934 0.158 43 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
210 1 18 VAL H 1 19 VAL H 5.260 4.430 5.860 4.449 4.429 4.468 0.001 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
211 1 18 VAL HB 1 19 VAL H 4.590 3.840 5.090 3.992 3.917 4.075 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
212 1 19 VAL H 1 20 LYS H 4.910 4.010 5.510 4.533 4.507 4.555 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
213 1 19 VAL QG 1 20 LYS H 3.840 2.640 4.340 3.300 3.122 3.338 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
214 1 20 LYS H 1 21 VAL H 3.750 2.850 4.350 4.232 4.194 4.261 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
215 1 20 LYS QB 1 21 VAL H 4.190 3.340 4.690 3.884 3.726 3.943 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
216 1 20 LYS QG 1 21 VAL H 3.740 2.880 4.240 3.124 2.930 3.533 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
217 1 21 VAL QG 1 22 ALA H 4.280 3.130 4.780 2.352 2.054 2.722 1.076 2 55 "[*+******** * ***** ********************- ********5**********]" 1
218 1 22 ALA MB 1 23 GLY H 3.930 3.050 4.430 2.572 2.511 2.664 0.539 20 12 "[ .* * 1 * *+ -* * 3** . 4* .* 5 . 6]" 1
219 1 22 ALA HA 1 23 GLY H 2.350 . 2.850 2.396 2.340 2.463 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
220 1 23 GLY QA 1 24 ALA H 2.990 2.340 3.490 2.264 2.251 2.288 0.089 58 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
221 1 24 ALA MB 1 25 GLY H 3.900 3.020 4.400 3.162 2.917 3.315 0.103 59 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
222 1 24 ALA HA 1 25 GLY H 2.640 . 3.140 2.275 2.259 2.295 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
223 1 25 GLY H 1 26 LEU QD 5.770 4.930 6.220 3.772 3.723 3.827 1.207 52 60 [****************-**********************************+********] 1
224 1 25 GLY HA2 1 26 LEU H 3.190 2.440 3.690 3.025 3.002 3.051 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
225 1 25 GLY HA3 1 26 LEU H 3.360 2.610 3.860 3.518 3.505 3.531 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
226 1 26 LEU H 1 27 GLN H 3.970 3.070 4.570 4.566 4.551 4.579 0.009 9 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
227 1 26 LEU QB 1 27 GLN H 3.350 2.480 3.850 2.453 2.407 2.525 0.073 23 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
228 1 26 LEU HA 1 27 GLN H 2.860 2.110 3.360 2.564 2.511 2.602 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
229 1 26 LEU QD 1 27 GLN H 4.730 3.620 5.230 3.799 3.742 3.863 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
230 1 27 GLN H 1 28 ALA H 3.750 2.850 4.330 4.213 4.180 4.247 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
231 1 27 GLN HA 1 28 ALA H 2.100 . 2.600 2.134 2.123 2.151 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
232 1 27 GLN QB 1 28 ALA H 3.820 2.960 4.320 3.738 3.717 3.772 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
233 1 27 GLN QG 1 28 ALA H 3.760 2.900 4.260 3.600 3.573 3.621 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
234 1 27 GLN QE 1 28 ALA H 4.380 3.540 4.880 3.910 3.899 3.917 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
235 1 28 ALA HA 1 29 GLY H 2.270 . 2.770 2.411 2.392 2.434 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
236 1 28 ALA H 1 29 GLY H 3.420 2.520 4.020 3.982 3.945 3.994 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
237 1 29 GLY HA2 1 30 THR H 2.990 2.240 3.490 2.946 2.925 2.972 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
238 1 29 GLY HA3 1 30 THR H 3.750 3.000 4.250 3.545 3.531 3.561 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
239 1 30 THR H 1 31 ALA H 3.210 2.310 3.810 3.952 3.919 3.983 0.173 41 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
240 1 30 THR HA 1 31 ALA H 2.180 . 2.680 2.119 2.085 2.157 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
241 1 31 ALA H 1 32 TYR H 3.940 3.040 4.540 4.490 4.427 4.559 0.019 30 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
242 1 31 ALA HA 1 32 TYR H 2.860 2.110 3.360 2.206 2.176 2.236 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
243 1 31 ALA MB 1 32 TYR H 4.260 3.390 4.760 3.315 3.126 3.449 0.264 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
244 1 32 TYR HA 1 33 ASP H 3.010 2.260 3.510 2.392 2.358 2.450 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
245 1 32 TYR QB 1 33 ASP H 3.560 2.690 4.060 2.812 2.620 2.992 0.070 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
246 1 32 TYR CZ 1 33 ASP H 5.690 4.540 7.790 6.309 6.139 6.449 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
247 1 32 TYR H 1 33 ASP H 4.600 3.700 5.200 4.568 4.512 4.618 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
248 1 33 ASP HA 1 34 VAL H 2.350 . 2.850 2.423 2.317 2.511 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
249 1 33 ASP HB3 1 34 VAL H 3.590 2.840 4.090 2.977 2.953 3.071 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
250 1 33 ASP HB2 1 34 VAL H 3.820 3.070 4.320 4.133 4.036 4.206 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
251 1 34 VAL HB 1 35 GLY H 5.600 4.850 6.100 4.663 4.647 4.728 0.203 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
252 1 34 VAL QG 1 35 GLY H 4.100 2.930 4.600 2.916 2.815 3.079 0.115 52 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
253 1 35 GLY QA 1 36 GLN H 3.100 2.220 3.600 2.280 2.253 2.290 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
254 1 36 GLN QB 1 37 CYS H 3.820 2.960 4.320 3.748 3.659 3.789 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
255 1 36 GLN QG 1 37 CYS H 4.220 3.370 4.720 3.653 3.486 3.740 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
256 1 36 GLN H 1 37 CYS H . 3.280 4.000 4.227 4.205 4.265 0.265 6 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
257 1 36 GLN HA 1 37 CYS H 2.680 . 3.180 2.173 2.143 2.187 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
258 1 37 CYS QB 1 38 ALA H 3.180 2.560 3.680 2.821 2.643 2.877 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
259 1 37 CYS HA 1 38 ALA H 2.720 . 3.220 2.301 2.277 2.328 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
260 1 38 ALA HA 1 39 TRP H 2.590 . 3.090 2.266 2.250 2.279 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
261 1 38 ALA MB 1 39 TRP H 4.490 3.630 4.990 3.019 2.967 3.078 0.663 26 60 [************-************+**********************************] 1
262 1 39 TRP H 1 40 VAL QG 6.210 5.190 6.710 4.072 3.977 4.169 1.213 59 60 [*************************-********************************+*] 1
263 1 39 TRP H 1 40 VAL H 4.830 3.930 5.430 4.366 4.360 4.372 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
264 1 39 TRP HA 1 40 VAL H 2.850 2.100 3.350 2.232 2.226 2.242 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
265 1 39 TRP QB 1 40 VAL H 4.440 3.600 4.940 3.502 3.491 3.514 0.109 45 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
266 1 39 TRP HD1 1 40 VAL H 4.500 3.750 5.000 3.894 3.882 3.906 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
267 1 40 VAL QG 1 41 ASP H . 4.040 4.560 3.050 2.924 3.119 1.116 10 60 [*********+************************-*************************] 1
268 1 40 VAL H 1 41 ASP H 2.940 2.040 3.540 2.516 2.501 2.532 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
269 1 40 VAL HA 1 41 ASP H 2.730 . 3.230 3.161 3.152 3.170 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
270 1 41 ASP QB 1 42 THR H 3.640 2.780 4.140 2.184 2.173 2.195 0.607 15 60 [******-*******+*********************************************] 1
271 1 41 ASP H 1 42 THR H 4.250 3.350 4.850 4.389 4.385 4.392 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
272 1 42 THR H 1 43 GLY H 3.620 2.720 4.220 4.239 4.226 4.252 0.032 47 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
273 1 42 THR HA 1 43 GLY H 2.420 . 2.920 2.224 2.206 2.240 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
274 1 42 THR HG1 1 43 GLY H 4.690 3.580 5.190 3.703 3.268 4.062 0.312 11 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
275 1 43 GLY H 1 44 VAL QG 5.770 4.730 6.270 3.522 3.494 3.537 1.236 38 60 [*************************************+**************-*******] 1
276 1 43 GLY H 1 44 VAL H 3.370 2.470 3.970 2.496 2.474 2.513 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
277 1 43 GLY HA3 1 44 VAL H 3.350 2.600 3.850 3.541 3.535 3.545 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
278 1 43 GLY HA2 1 44 VAL H 3.530 2.780 4.030 3.051 3.034 3.069 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
279 1 44 VAL QG 1 45 LEU H 4.760 4.000 5.260 3.260 3.139 3.323 0.861 23 60 [**********************+**********************************-**] 1
280 1 44 VAL HB 1 45 LEU H 4.970 4.220 5.470 4.297 4.279 4.318 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
281 1 44 VAL H 1 45 LEU H 4.450 3.550 5.050 4.153 4.136 4.170 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
282 1 44 VAL HA 1 45 LEU H 3.390 2.640 3.890 2.359 2.350 2.364 0.290 35 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
283 1 45 LEU HA 1 46 ALA H 2.840 2.090 3.340 2.307 2.298 2.317 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
284 1 45 LEU H 1 46 ALA H 4.770 3.870 5.370 4.181 4.161 4.220 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
285 1 46 ALA MB 1 47 CYS H 4.370 3.500 4.870 3.471 3.426 3.484 0.074 6 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
286 1 46 ALA HA 1 47 CYS H 2.730 . 3.230 2.241 2.207 2.257 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
287 1 46 ALA H 1 47 CYS H 5.100 4.200 5.700 4.310 4.296 4.349 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
288 1 47 CYS HA 1 48 ASN H 2.870 2.120 3.370 2.422 2.275 2.486 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
289 1 47 CYS HB3 1 48 ASN H 3.700 2.950 4.200 3.250 2.938 3.381 0.012 43 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
290 1 47 CYS H 1 48 ASN H 4.980 4.080 5.580 4.578 4.558 4.622 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
291 1 47 CYS HB2 1 48 ASN H 3.770 3.020 4.270 3.990 3.902 4.106 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
292 1 49 PRO QG 1 50 ALA H 5.690 4.870 6.190 4.405 4.376 4.457 0.494 24 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
293 1 50 ALA H 1 51 ASP QB 4.730 3.890 5.230 4.472 3.537 4.646 0.353 4 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
294 1 50 ALA HA 1 51 ASP H 2.930 2.180 3.430 3.272 3.167 3.366 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
295 1 50 ALA H 1 51 ASP H 2.770 . 3.370 2.111 2.012 2.239 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
296 1 50 ALA MB 1 51 ASP H 4.000 3.120 4.500 3.273 3.100 3.396 0.020 52 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
297 1 51 ASP H 1 52 PHE CG 5.480 4.310 7.580 4.669 4.510 4.939 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
298 1 51 ASP H 1 52 PHE HA 3.640 2.890 4.140 4.175 4.146 4.225 0.085 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
299 1 51 ASP HA 1 52 PHE H 2.960 2.210 3.460 3.133 3.043 3.284 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
300 1 51 ASP H 1 52 PHE H 2.660 . 3.260 1.907 1.849 2.005 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
301 1 51 ASP QB 1 52 PHE H 4.250 3.400 4.750 3.763 3.392 3.922 0.008 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
302 1 52 PHE H 1 53 SER H 4.020 3.120 4.620 4.131 4.019 4.209 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
303 1 52 PHE QB 1 53 SER H 3.840 2.980 4.340 3.857 3.819 3.907 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
304 1 52 PHE HA 1 53 SER H 2.850 2.100 3.350 2.324 2.281 2.400 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
305 1 52 PHE CG 1 53 SER H 5.280 4.090 7.380 4.604 4.509 4.698 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
306 1 53 SER HA 1 54 SER H 2.450 . 2.950 2.810 2.756 2.853 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
307 1 53 SER QB 1 54 SER H 3.030 2.140 3.530 2.107 2.010 3.034 0.130 43 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
308 1 54 SER H 1 55 VAL H 3.500 2.600 4.100 4.092 4.051 4.126 0.026 58 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
309 1 54 SER HA 1 55 VAL H 2.530 . 3.030 2.171 2.154 2.185 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
310 1 54 SER QB 1 55 VAL H 3.570 2.700 4.070 3.552 3.492 3.596 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
311 1 55 VAL QG 1 56 THR H 4.260 3.110 4.760 1.986 1.858 2.121 1.252 20 60 [*******************+**************-*************************] 1
312 1 55 VAL HB 1 56 THR H 3.500 2.750 4.000 3.803 3.723 3.913 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
313 1 57 ALA HA 1 58 ASP H 2.280 . 2.780 2.113 2.106 2.123 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
314 1 57 ALA MB 1 58 ASP H 3.360 2.460 3.860 3.364 3.341 3.380 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
315 1 58 ASP H 1 59 ALA H 3.600 2.700 4.200 4.210 4.195 4.224 0.024 42 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
316 1 58 ASP QB 1 59 ALA H 3.080 2.200 3.580 1.878 1.849 1.903 0.351 19 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
317 1 58 ASP HA 1 59 ALA H 2.570 . 3.070 3.075 3.062 3.087 0.017 58 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
318 1 59 ALA MB 1 60 ASN H 3.880 3.000 4.380 2.377 2.267 2.497 0.733 41 60 [*******************-********************+*******************] 1
319 1 59 ALA HA 1 60 ASN H 2.750 . 3.250 3.505 3.497 3.513 0.263 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
320 1 60 ASN HA 1 61 GLY H 3.170 2.420 3.670 3.458 3.447 3.475 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
321 1 60 ASN H 1 61 GLY H 2.610 . 3.210 1.902 1.874 1.988 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
322 1 60 ASN QB 1 61 GLY H 3.760 2.900 4.260 2.763 2.511 3.339 0.389 21 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
323 1 61 GLY H 1 62 SER H 2.690 . 3.290 2.546 2.444 2.668 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
324 1 61 GLY HA3 1 62 SER H 3.090 2.340 3.590 3.572 3.566 3.581 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
325 1 61 GLY HA2 1 62 SER H 3.550 2.800 4.050 2.505 2.476 2.539 0.324 45 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
326 1 62 SER H 1 63 ALA MB 5.720 4.880 6.220 4.787 4.717 4.898 0.163 53 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
327 1 62 SER QB 1 63 ALA H 3.200 2.320 3.700 3.195 3.127 3.274 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
328 1 62 SER HA 1 63 ALA H 2.400 . 2.900 2.144 2.120 2.174 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
329 1 63 ALA H 1 64 SER H 3.640 2.740 4.240 4.062 4.035 4.084 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
330 1 63 ALA MB 1 64 SER H 4.010 3.130 4.510 3.433 3.412 3.446 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
331 1 63 ALA HA 1 64 SER H 2.520 . 3.020 2.216 2.195 2.226 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
332 1 64 SER H 1 65 THR H 3.650 2.750 4.250 4.255 4.220 4.303 0.053 22 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
333 1 64 SER H 1 65 THR HB 4.640 3.890 5.140 4.996 4.577 5.072 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
334 1 64 SER QB 1 65 THR H 3.510 2.640 4.010 3.397 3.314 3.488 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
335 1 64 SER HA 1 65 THR H 2.530 . 3.030 2.166 2.152 2.179 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
336 1 65 THR HG1 1 66 SER H 4.190 3.030 4.690 2.932 2.225 3.582 0.805 1 6 "[+ * 1 * . 2 . 3-* . 4 . 5 * . 6]" 1
337 1 65 THR HB 1 66 SER H 4.280 3.530 4.780 3.774 3.655 4.044 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
338 1 65 THR H 1 66 SER H 3.790 2.890 4.390 4.345 4.313 4.376 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
339 1 66 SER H 1 67 LEU HG 4.140 3.390 4.640 4.329 4.058 4.552 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
340 1 66 SER HA 1 67 LEU H 2.700 . 3.200 2.230 2.181 2.324 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
341 1 66 SER H 1 67 LEU H 4.940 4.040 5.540 4.540 4.479 4.590 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
342 1 66 SER QB 1 67 LEU H 3.660 2.800 4.160 3.091 2.737 3.299 0.063 9 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
343 1 67 LEU QD 1 68 THR H 4.880 3.790 5.380 3.810 3.461 4.016 0.329 4 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
344 1 68 THR H 1 69 VAL H 5.130 4.230 5.730 4.505 4.437 4.621 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
345 1 68 THR HB 1 69 VAL H 4.300 3.550 4.800 3.621 3.511 4.317 0.039 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
346 1 68 THR HA 1 69 VAL H 2.480 . 2.980 2.224 2.184 2.246 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
347 1 69 VAL QG 1 70 ARG H . 4.430 5.220 3.479 3.462 3.523 0.968 47 60 [********************-*************************+*************] 1
348 1 69 VAL HB 1 70 ARG H 3.800 3.050 4.300 3.087 3.037 3.188 0.013 39 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
349 1 69 VAL HA 1 70 ARG H 3.110 2.360 3.610 2.345 2.314 2.367 0.046 21 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
350 1 70 ARG HA 1 71 ARG H 3.180 2.430 3.680 2.681 2.565 2.849 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
351 1 70 ARG QD 1 71 ARG H 3.980 3.130 4.480 3.435 3.056 3.999 0.074 42 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
352 1 71 ARG H 1 72 SER H 3.090 2.190 3.690 3.466 2.990 3.764 0.074 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
353 1 71 ARG QG 1 72 SER H 3.650 2.790 4.150 2.863 2.146 3.735 0.644 27 5 "[ * . 1 * -2 . + 3 . 4 . * 5 . 6]" 1
354 1 71 ARG QB 1 72 SER H 3.420 2.550 3.920 1.934 1.810 2.041 0.740 33 60 [********************************+**************-************] 1
355 1 72 SER HA 1 73 PHE H 2.830 2.080 3.330 2.229 2.191 2.298 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
356 1 72 SER HB2 1 73 PHE H 3.270 2.520 3.770 3.579 3.238 3.696 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
357 1 72 SER HB3 1 73 PHE H 3.270 2.520 3.770 3.343 3.038 3.696 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
358 1 72 SER H 1 73 PHE H 4.050 3.150 4.650 4.627 4.593 4.643 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
359 1 73 PHE H 1 74 GLU H 4.910 4.010 5.510 4.233 4.167 4.401 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
360 1 73 PHE HA 1 74 GLU H 3.100 2.350 3.600 2.207 2.149 2.362 0.201 22 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
361 1 73 PHE QB 1 74 GLU H 3.530 2.660 4.030 3.017 2.624 3.137 0.036 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
362 1 74 GLU QB 1 75 GLY H 4.350 3.510 4.850 3.431 3.326 3.743 0.184 25 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
363 1 74 GLU HA 1 75 GLY H 2.870 2.120 3.370 2.164 2.151 2.180 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
364 1 74 GLU QG 1 75 GLY H 4.910 4.080 5.410 4.123 3.442 4.569 0.638 11 2 "[ . 1+ . - 2 . 3 . 4 . 5 . 6]" 1
365 1 75 GLY HA2 1 76 PHE H 3.390 2.640 3.890 2.775 2.735 2.835 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
366 1 75 GLY HA3 1 76 PHE H 4.260 3.510 4.760 3.598 3.579 3.616 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
367 1 76 PHE H 1 77 LEU H 4.580 3.680 5.180 4.529 4.494 4.568 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
368 1 76 PHE QB 1 77 LEU H 4.930 4.100 5.430 3.565 3.530 3.614 0.570 6 57 "[*****+**** ******************************** *****5-*********]" 1
369 1 76 PHE HA 1 77 LEU H 2.540 . 3.040 2.240 2.223 2.259 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
370 1 77 LEU QD 1 78 PHE H 5.040 4.550 5.540 3.303 3.260 3.364 1.290 32 60 [*******************************+***********-****************] 1
371 1 77 LEU HG 1 78 PHE H 3.840 3.090 4.340 3.133 3.100 3.164 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
372 1 77 LEU QB 1 78 PHE H 3.880 3.020 4.380 3.713 3.047 3.754 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
373 1 77 LEU HA 1 78 PHE H 2.950 2.200 3.450 2.279 2.265 2.383 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
374 1 78 PHE H 1 79 ASP H 3.280 2.380 3.880 3.649 2.752 3.693 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
375 1 78 PHE HA 1 79 ASP H 3.290 2.540 3.790 2.674 2.646 3.368 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
376 1 78 PHE QB 1 79 ASP H 4.540 3.700 5.040 3.978 3.322 4.015 0.378 53 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
377 1 79 ASP H 1 80 GLY H 2.590 . 3.190 1.843 1.818 2.410 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
378 1 79 ASP HB2 1 80 GLY H 4.040 3.290 4.540 4.336 3.719 4.444 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
379 1 79 ASP HB3 1 80 GLY H 4.070 3.320 4.570 3.964 3.698 4.566 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
380 1 80 GLY H 1 81 THR H 3.020 2.520 3.620 2.941 2.593 2.994 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
381 1 80 GLY HA2 1 81 THR H 3.550 2.800 4.050 3.511 3.388 3.525 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
382 1 80 GLY HA3 1 81 THR H 3.120 2.370 3.620 3.024 2.975 3.202 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
383 1 81 THR H 1 82 ARG H 4.010 3.110 4.610 4.581 4.560 4.622 0.012 44 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
384 1 81 THR HA 1 82 ARG H 2.470 . 2.970 2.344 2.194 2.410 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
385 1 81 THR HG1 1 82 ARG H 4.070 2.900 4.570 3.316 2.869 3.624 0.031 55 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
386 1 82 ARG HA 1 83 TRP H 2.770 2.020 3.270 2.273 2.230 2.308 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
387 1 82 ARG QG 1 83 TRP H 4.300 3.450 4.800 3.661 3.571 3.881 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
388 1 82 ARG QB 1 83 TRP H 4.160 3.310 4.660 3.274 3.146 3.612 0.164 7 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
389 1 83 TRP QB 1 84 GLY H 3.580 2.720 4.080 3.006 2.933 3.073 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
390 1 83 TRP HA 1 84 GLY H 3.400 2.650 3.900 3.445 3.425 3.468 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
391 1 83 TRP H 1 84 GLY H 3.300 2.400 3.900 2.438 2.392 2.460 0.008 44 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
392 1 84 GLY H 1 85 THR H 3.860 2.960 4.460 4.421 4.402 4.441 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
393 1 84 GLY QA 1 85 THR H 2.990 2.100 3.490 2.327 2.321 2.336 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
394 1 85 THR H 1 86 VAL H 3.780 2.880 4.380 4.366 4.317 4.420 0.040 21 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
395 1 85 THR HA 1 86 VAL H 2.630 . 3.130 2.209 2.192 2.228 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
396 1 85 THR MG 1 86 VAL H 4.380 3.510 4.880 3.796 3.234 3.923 0.276 57 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
397 1 86 VAL QG 1 87 ASP H 3.910 3.730 4.410 3.106 2.923 3.207 0.807 10 60 [*********+*********************************-****************] 1
398 1 86 VAL H 1 87 ASP H 3.970 3.070 4.570 4.305 4.233 4.355 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
399 1 86 VAL HA 1 87 ASP H 2.280 . 2.780 2.215 2.198 2.225 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
400 1 87 ASP H 1 88 CYS H 4.370 3.470 4.970 4.488 4.459 4.511 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
401 1 88 CYS HA 1 89 THR H 3.600 2.850 4.100 3.369 3.345 3.423 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
402 1 88 CYS HB2 1 89 THR H 4.390 3.640 4.890 4.121 3.567 4.234 0.073 47 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
403 1 88 CYS HB3 1 89 THR H 4.280 3.530 4.780 3.606 3.538 4.082 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
404 1 89 THR H 1 90 THR H 3.210 2.310 3.810 2.453 2.389 2.585 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
405 1 89 THR HB 1 90 THR H 4.090 3.340 4.590 4.170 3.908 4.379 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
406 1 89 THR HA 1 90 THR H 3.160 2.410 3.660 3.288 3.169 3.404 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
407 1 90 THR HB 1 91 ALA H 4.090 3.340 4.590 3.747 3.651 3.788 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
408 1 90 THR H 1 91 ALA H 2.770 . 3.370 2.154 2.041 2.326 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
409 1 90 THR MG 1 91 ALA H 3.620 2.730 4.120 3.301 3.272 3.346 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
410 1 91 ALA HA 1 92 ALA H 2.180 . 2.680 2.606 2.586 2.623 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
411 1 91 ALA MB 1 92 ALA H 3.620 2.730 4.120 2.195 2.045 2.327 0.685 39 36 "[* **. ** 1 **.* * *** *.** ** **-. * +** * *** **** *.* **]" 1
412 1 92 ALA MB 1 93 CYS H 4.950 4.100 5.450 3.404 3.367 3.440 0.733 10 60 [*********+************************************************-*] 1
413 1 92 ALA H 1 93 CYS H 4.820 3.920 5.420 4.368 4.326 4.415 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
414 1 93 CYS HB2 1 94 GLN H 4.170 3.420 4.670 4.046 4.007 4.097 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
415 1 93 CYS HB3 1 94 GLN H 3.930 3.180 4.430 3.572 3.514 3.664 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
416 1 94 GLN HG3 1 95 VAL H 3.050 2.300 3.550 3.757 3.727 3.781 0.231 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
417 1 94 GLN HG2 1 95 VAL H 3.830 3.080 4.330 3.921 3.817 4.036 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
418 1 94 GLN QB 1 95 VAL H 3.690 2.830 4.190 2.824 2.759 2.886 0.071 57 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
419 1 94 GLN HA 1 95 VAL H 2.640 . 3.140 2.166 2.145 2.191 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
420 1 95 VAL HB 1 96 GLY H 4.130 3.380 4.630 4.371 4.330 4.414 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
421 1 95 VAL QG 1 96 GLY H 3.780 2.570 4.280 3.018 2.919 3.053 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
422 1 95 VAL HA 1 96 GLY H 2.590 . 3.090 2.210 2.195 2.221 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
423 1 96 GLY H 1 97 LEU H 4.280 3.380 4.880 4.398 4.380 4.414 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
424 1 96 GLY QA 1 97 LEU H 3.140 2.410 3.640 2.270 2.264 2.279 0.146 59 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
425 1 97 LEU HA 1 98 SER H 2.880 2.130 3.380 2.588 2.476 2.641 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
426 1 97 LEU HG 1 98 SER H 3.940 3.190 4.440 4.655 4.641 4.673 0.233 32 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
427 1 97 LEU HB2 1 98 SER H 3.460 2.710 3.960 2.731 2.688 2.787 0.022 49 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
428 1 97 LEU HB3 1 98 SER H 3.380 2.630 3.880 2.587 2.533 2.659 0.097 23 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
429 1 97 LEU H 1 98 SER H 4.760 3.860 5.360 4.436 4.416 4.455 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
430 1 97 LEU QD 1 98 SER H 5.800 4.760 6.300 3.820 3.779 3.869 0.981 17 60 [****************+**************-****************************] 1
431 1 99 ASP HB3 1 100 ALA H 3.270 2.520 3.770 3.673 3.591 3.869 0.099 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
432 1 99 ASP HB2 1 100 ALA H 3.080 2.330 3.580 2.623 2.383 3.652 0.072 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
433 1 100 ALA HA 1 101 ALA H 2.750 . 3.250 2.888 2.832 3.157 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
434 1 100 ALA H 1 101 ALA H 3.210 2.310 3.810 2.656 2.367 2.737 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
435 1 101 ALA H 1 102 GLY H 2.840 . 3.440 2.012 1.904 2.083 0.036 40 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
436 1 101 ALA MB 1 102 GLY H 4.190 3.320 4.690 2.724 2.646 2.928 0.674 54 59 "[********************************************* *******+**-***]" 1
437 1 102 GLY H 1 103 ASN HA 3.290 2.540 3.790 3.967 3.914 4.023 0.233 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
438 1 102 GLY H 1 103 ASN QB 4.620 3.780 5.120 4.468 4.441 4.763 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
439 1 102 GLY H 1 103 ASN H 2.860 . 3.460 2.031 1.909 2.064 0.051 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
440 1 103 ASN HB2 1 104 GLY H 3.150 2.400 3.650 3.662 2.493 3.709 0.059 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
441 1 103 ASN HA 1 104 GLY H 2.090 . 2.590 2.566 2.459 2.588 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
442 1 103 ASN HB3 1 104 GLY H 2.950 2.200 3.450 2.273 2.249 3.126 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
443 1 103 ASN H 1 104 GLY H 3.650 2.750 4.250 4.304 4.294 4.335 0.085 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
444 1 103 ASN HD21 1 104 GLY H 4.830 4.080 5.330 4.225 4.171 5.260 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
445 1 105 PRO HA 1 106 GLU H 2.760 2.010 3.260 2.586 2.465 2.667 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
446 1 106 GLU QB 1 107 GLY H 3.240 2.360 3.740 2.074 1.885 2.324 0.475 1 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
447 1 107 GLY QA 1 108 VAL H 2.780 2.030 3.220 2.298 2.271 2.324 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
448 1 108 VAL H 1 109 ALA H 3.760 2.860 4.360 4.399 4.360 4.463 0.103 57 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
449 1 108 VAL MG2 1 109 ALA H 3.900 3.020 4.400 3.261 2.979 3.391 0.041 38 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
450 1 108 VAL HA 1 109 ALA H 2.220 . 2.720 2.165 2.136 2.338 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
451 1 108 VAL MG1 1 109 ALA H 4.010 3.130 4.510 2.856 2.301 3.033 0.829 57 4 "[ . 1 . 2 . 3 . - 4 * 5* . + 6]" 1
452 1 108 VAL HB 1 109 ALA H 3.930 3.180 4.430 4.433 4.233 4.485 0.055 10 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
453 1 109 ALA HA 1 110 ILE H 2.500 . 3.000 2.190 2.179 2.210 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
454 1 110 ILE HG13 1 111 SER H 3.590 2.840 4.090 4.017 3.211 4.065 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
455 1 110 ILE MD 1 111 SER H 4.320 3.450 4.820 3.752 3.709 3.948 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
456 1 110 ILE HA 1 111 SER H 2.700 . 3.200 2.502 2.454 2.578 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
457 1 111 SER H 1 112 PHE H 5.260 4.360 5.860 4.469 4.428 4.489 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
458 1 111 SER HA 1 112 PHE H 2.800 2.050 3.300 2.373 2.332 2.424 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
459 1 111 SER QB 1 112 PHE H 3.560 2.690 4.060 2.983 2.626 3.418 0.064 34 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
460 1 112 PHE QB 1 113 ASN H 4.150 3.300 4.650 3.647 2.920 3.921 0.380 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
461 1 2 ALA H 1 4 THR MG 5.400 4.560 5.900 4.398 3.957 4.740 0.603 8 5 "[ . + 1 . 2 ** 3 . - 4 * . 5 . 6]" 1
462 1 5 ALA HA 1 7 VAL H 4.680 3.930 5.180 5.399 5.377 5.417 0.237 30 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
463 1 8 THR MG 1 10 SER H 5.540 4.700 6.040 3.819 3.766 3.865 0.934 19 60 [******************+*******************-*********************] 1
464 1 9 PRO QG 1 11 SER H 5.300 4.470 5.800 4.775 4.749 4.805 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
465 1 9 PRO HB3 1 11 SER H 3.540 2.790 4.040 3.915 3.820 3.958 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
466 1 9 PRO HB2 1 11 SER H 3.540 2.790 4.040 2.914 2.891 2.948 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
467 1 9 PRO HA 1 11 SER H 3.690 2.940 4.190 3.917 3.859 4.000 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
468 1 11 SER H 1 13 LEU QD 5.040 4.190 5.540 3.818 3.688 3.895 0.502 48 1 "[ . 1 . 2 . 3 . 4 . + 5 . 6]" 1
469 1 11 SER HA 1 13 LEU H 4.140 3.390 4.640 3.518 3.487 3.533 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
470 1 12 GLY QA 1 14 SER H 4.100 3.250 4.600 3.842 3.781 3.887 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
471 1 15 ASP H 1 17 THR H 4.790 3.890 5.390 5.287 5.229 5.304 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
472 1 17 THR MG 1 19 VAL H 5.210 4.360 5.710 4.327 4.216 4.466 0.144 37 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
473 1 24 ALA H 1 26 LEU QD 4.810 3.710 5.310 2.502 2.105 2.985 1.605 9 60 [********+************************-**************************] 1
474 1 38 ALA MB 1 40 VAL H 6.240 5.410 6.740 4.438 4.374 4.502 1.036 48 60 [*************************-*********************+************] 1
475 1 39 TRP HD1 1 41 ASP H 4.200 3.450 4.700 4.003 3.968 4.021 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
476 1 39 TRP HA 1 41 ASP H 4.130 3.380 4.630 3.562 3.546 3.583 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
477 1 42 THR H 1 44 VAL QG 5.270 4.200 5.770 3.012 2.993 3.028 1.207 47 60 [**********************-***********************+*************] 1
478 1 42 THR H 1 44 VAL H 4.120 3.220 4.720 4.603 4.572 4.625 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
479 1 51 ASP H 1 53 SER H 5.910 5.010 6.510 5.501 5.283 5.618 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
480 1 50 ALA HA 1 52 PHE H 4.010 3.260 4.510 3.923 3.783 4.150 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
481 1 50 ALA MB 1 52 PHE H 4.930 4.080 5.430 4.568 4.493 4.623 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
482 1 50 ALA H 1 52 PHE H 3.990 3.090 4.590 3.644 3.477 3.794 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
483 1 56 THR MG 1 58 ASP H 4.190 3.320 4.690 3.805 3.740 3.851 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
484 1 59 ALA H 1 61 GLY H 3.220 2.320 3.820 3.769 3.752 3.790 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
485 1 58 ASP QB 1 60 ASN H 4.260 3.410 4.760 3.778 3.123 4.151 0.287 20 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
486 1 58 ASP H 1 60 ASN H 4.130 3.230 4.730 4.679 4.650 4.702 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
487 1 73 PHE H 1 75 GLY H 4.700 3.800 5.300 5.334 5.289 5.380 0.080 47 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
488 1 77 LEU H 1 79 ASP H 4.190 3.290 4.790 4.519 4.481 4.561 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
489 1 77 LEU QD 1 79 ASP H 5.780 4.740 6.280 4.251 3.802 4.338 0.938 53 18 "[ **** *1* *- * 2* .** * * 4 * *. 5* + . 6]" 1
490 1 77 LEU HG 1 79 ASP H 4.380 3.630 4.880 4.185 3.703 4.305 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
491 1 78 PHE H 1 80 GLY H 5.200 4.300 5.800 5.374 4.422 5.431 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
492 1 79 ASP H 1 81 THR H 4.070 3.170 4.670 3.273 3.236 3.395 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
493 1 82 ARG QB 1 84 GLY H 4.830 4.000 5.330 3.235 3.161 3.269 0.839 49 60 [************************-***********************+***********] 1
494 1 82 ARG QG 1 84 GLY H 3.930 3.080 4.430 2.787 2.649 3.885 0.431 32 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
495 1 84 GLY H 1 86 VAL QG 4.750 3.890 5.250 4.149 4.086 4.223 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
496 1 86 VAL QG 1 88 CYS H 6.010 5.180 6.510 3.970 3.913 4.108 1.267 25 60 [********-***************+***********************************] 1
497 1 88 CYS H 1 90 THR MG 5.450 4.610 5.950 4.688 4.638 4.758 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
498 1 89 THR H 1 91 ALA H 3.770 2.870 4.370 4.303 4.276 4.323 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
499 1 91 ALA H 1 93 CYS H 5.530 4.630 6.130 5.808 5.679 5.878 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
500 1 99 ASP HB2 1 101 ALA H 3.790 3.040 4.290 3.954 3.191 4.117 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
501 1 99 ASP HB3 1 101 ALA H 4.450 3.700 4.950 4.210 3.770 4.353 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
502 1 101 ALA H 1 103 ASN H 3.520 2.620 4.120 3.615 3.521 3.663 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
503 1 100 ALA H 1 102 GLY H 4.200 3.300 4.800 4.497 3.411 4.728 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
504 1 10 SER H 1 13 LEU QD 5.750 5.050 6.250 4.234 4.120 4.355 0.930 48 60 [********-**************************************+************] 1
505 1 14 SER H 1 17 THR MG 4.650 3.790 5.150 3.480 3.437 3.576 0.353 25 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
506 1 23 GLY H 1 26 LEU QD 5.390 4.550 5.660 3.716 3.609 3.872 0.941 27 60 [**************************+******************-**************] 1
507 1 41 ASP H 1 44 VAL QG 4.720 3.860 5.160 3.106 2.995 3.196 0.865 38 60 [*************************************+**************-*******] 1
508 1 41 ASP QB 1 44 VAL H 4.580 3.740 5.080 3.716 3.662 3.756 0.078 53 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
509 1 55 VAL QG 1 58 ASP H 5.310 4.250 5.810 3.997 3.901 4.130 0.349 32 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
510 1 58 ASP H 1 61 GLY H 3.520 2.620 4.120 3.402 3.312 3.465 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
511 1 77 LEU H 1 80 GLY H 5.070 4.170 5.670 5.251 4.338 5.358 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
512 1 87 ASP H 1 90 THR MG 4.520 3.660 5.020 3.504 3.051 3.772 0.609 47 1 "[ . 1 . 2 . 3 . 4 . + 5 . 6]" 1
513 1 99 ASP H 1 102 GLY H 4.510 3.610 5.110 4.374 4.182 4.609 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
514 1 13 LEU H 1 17 THR MG 4.470 3.610 4.970 3.916 3.891 3.953 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
515 1 13 LEU QD 1 17 THR H . 5.140 5.930 4.402 4.355 4.461 0.785 15 60 [**************+********************************-************] 1
516 1 13 LEU QB 1 17 THR H 4.060 3.060 5.060 3.770 3.709 3.871 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
517 1 40 VAL H 1 44 VAL QG 5.490 4.660 5.990 3.431 3.392 3.470 1.268 8 60 [*******+********************************************-*******] 1
518 1 39 TRP HD1 1 43 GLY H 4.300 3.550 4.800 3.867 3.844 3.901 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
519 1 39 TRP HE1 1 43 GLY H 4.380 3.630 4.880 4.801 4.787 4.825 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
520 1 40 VAL H 1 44 VAL H 4.140 3.240 4.740 4.231 4.178 4.258 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
521 1 40 VAL QG 1 44 VAL H 5.830 4.800 6.330 4.260 4.212 4.310 0.588 28 55 "[****.******* ** **** ******+***********************-****** *]" 1
522 1 58 ASP QB 1 62 SER H 3.840 2.980 4.340 3.510 3.070 3.722 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
523 1 58 ASP H 1 62 SER H 3.120 2.220 3.720 2.780 2.675 2.895 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
524 1 77 LEU H 1 81 THR H 4.520 3.620 5.120 4.981 4.270 5.026 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
525 1 77 LEU HG 1 81 THR H 4.770 4.020 5.270 5.230 5.189 5.422 0.152 53 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
526 1 77 LEU HB2 1 81 THR H 4.220 3.470 4.720 4.613 3.538 4.675 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
527 1 77 LEU QD 1 81 THR H 6.480 5.470 6.980 3.921 3.731 4.052 1.739 17 60 [****************+***********************************-*******] 1
528 1 77 LEU HB3 1 81 THR H 3.930 3.180 4.430 3.251 3.163 3.266 0.017 53 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
529 1 83 TRP HZ3 1 87 ASP H 5.350 4.600 5.850 4.520 4.485 4.578 0.115 17 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
530 1 99 ASP H 1 103 ASN H 3.810 2.910 4.410 4.373 4.342 4.412 0.002 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
531 1 13 LEU QD 1 18 VAL H 5.750 5.230 6.250 3.823 3.792 3.856 1.438 43 60 [***************************-**************+*****************] 1
532 1 40 VAL H 1 45 LEU QD 7.150 6.170 7.650 4.295 4.271 4.339 1.899 22 60 [*********************+********************-*****************] 1
533 1 40 VAL H 1 45 LEU H 6.060 5.160 6.660 5.227 5.213 5.246 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
534 1 39 TRP HE1 1 44 VAL H 4.070 3.320 4.570 4.594 4.585 4.600 0.030 23 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
535 1 39 TRP HD1 1 44 VAL H 3.420 2.670 3.920 2.809 2.798 2.820 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
536 1 47 CYS H 1 52 PHE HZ 5.110 4.360 5.610 5.036 4.600 5.376 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
537 1 57 ALA MB 1 62 SER H 4.360 3.490 4.860 4.146 4.129 4.168 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
538 1 57 ALA HA 1 62 SER H 3.280 2.530 3.780 3.415 3.324 3.469 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
539 1 39 TRP H 1 45 LEU QD 6.630 5.630 7.130 3.554 3.538 3.611 2.092 45 60 [*************************************-******+***************] 1
540 1 39 TRP HD1 1 45 LEU H 3.720 2.970 4.220 4.167 4.133 4.200 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
541 1 40 VAL QG 1 46 ALA H 4.760 4.520 5.260 3.331 3.236 3.460 1.284 49 60 [*************************************-**********+***********] 1
542 1 40 VAL H 1 46 ALA H 4.600 3.700 5.200 3.972 3.900 4.106 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
543 1 77 LEU QD 1 83 TRP H 5.400 4.340 5.900 3.148 3.089 3.255 1.251 14 60 [-************+**********************************************] 1
544 1 98 SER QB 1 104 GLY H 5.240 4.390 5.740 4.180 3.785 4.695 0.605 8 19 "[ *** + 1 * *. 2** *.* * 3 * .* 4-* *. * * .* 6]" 1
545 1 38 ALA H 1 45 LEU HA 3.890 3.140 4.390 4.317 4.147 4.358 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
546 1 38 ALA H 1 45 LEU HG 4.360 3.610 4.860 4.283 4.178 4.360 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
547 1 39 TRP HA 1 46 ALA H 3.870 3.120 4.370 3.679 3.617 3.737 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
548 1 76 PHE HA 1 83 TRP H 3.690 2.940 4.190 3.690 3.535 3.753 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
549 1 86 VAL QG 1 93 CYS H 6.450 5.620 6.950 5.574 5.497 5.621 0.123 38 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
550 1 38 ALA H 1 46 ALA H . 2.710 3.500 3.222 2.998 3.317 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
551 1 38 ALA H 1 46 ALA MB 5.030 4.180 5.530 3.626 3.452 3.748 0.728 43 50 "[***-.****************** *** ******* **** *+*.****** .*****]" 1
552 1 38 ALA MB 1 46 ALA H 4.660 3.800 5.160 3.809 3.714 3.932 0.086 35 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
553 1 55 VAL MG1 1 63 ALA H 5.400 4.560 5.900 4.411 4.160 4.474 0.400 15 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
554 1 76 PHE HA 1 84 GLY H 4.640 3.890 5.140 5.029 4.894 5.085 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
555 1 97 LEU H 1 105 PRO QB 5.010 4.180 5.510 3.422 3.394 3.605 0.786 42 60 [*****************************************+**************-***] 1
556 1 97 LEU H 1 105 PRO QG 4.890 4.060 5.390 3.859 3.536 4.201 0.524 35 2 "[ . - . 2 . 3 + 4 . 5 . 6]" 1
557 1 55 VAL MG1 1 64 SER H 4.380 3.510 4.880 3.598 3.364 3.836 0.146 57 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
558 1 75 GLY H 1 84 GLY H 4.300 3.400 4.900 3.403 3.381 3.420 0.019 52 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
559 1 97 LEU H 1 106 GLU H 4.030 3.030 5.030 5.074 5.057 5.093 0.063 19 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
560 1 75 GLY H 1 85 THR H 5.280 4.380 5.880 4.575 4.491 4.701 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
561 1 76 PHE H 1 86 VAL QG 7.340 6.370 7.840 4.600 4.317 4.749 2.053 53 60 [**********************************-*****************+*******] 1
562 1 75 GLY H 1 86 VAL QG 5.270 5.170 5.770 3.342 3.235 3.442 1.935 11 60 [**********+*******************************-*****************] 1
563 1 75 GLY H 1 86 VAL H 3.960 3.060 4.560 3.103 3.063 3.150 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
564 1 97 LEU H 1 108 VAL H 5.180 4.280 5.780 5.718 5.528 5.770 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
565 1 8 THR H 1 20 LYS QB 3.880 3.020 4.380 3.323 3.011 3.503 0.009 35 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
566 1 8 THR H 1 20 LYS H 3.080 2.180 3.680 2.876 2.790 3.060 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
567 1 36 GLN QE 1 48 ASN QB 4.490 3.650 4.820 3.851 3.729 3.916 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
568 1 36 GLN QB 1 48 ASN H 4.930 4.100 5.430 4.500 4.193 4.651 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
569 1 73 PHE H 1 85 THR HG1 4.770 3.670 5.270 3.735 2.604 3.991 1.066 57 1 "[ . 1 . 2 . 3 . 4 . 5 . + 6]" 1
570 1 73 PHE H 1 86 VAL QG . 4.910 5.050 3.806 3.779 3.849 1.131 43 60 [******************************************+************-****] 1
571 1 73 PHE H 1 86 VAL H 3.350 2.450 3.950 2.870 2.776 2.939 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
572 1 73 PHE CG 1 86 VAL H 5.000 4.250 5.500 4.648 4.497 4.729 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
573 1 53 SER H 1 67 LEU QD 4.950 3.860 5.450 2.949 2.683 3.148 1.177 50 60 [*************************************************+***-******] 1
574 1 72 SER QB 1 86 VAL H 4.840 4.010 5.340 4.700 4.574 4.821 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
575 1 95 VAL H 1 109 ALA H 4.080 3.180 4.680 4.652 4.627 4.687 0.007 51 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
576 1 95 VAL H 1 109 ALA HA 4.110 3.360 4.610 3.869 3.702 3.952 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
577 1 94 GLN QG 1 108 VAL H 3.870 3.010 4.370 3.805 3.775 3.840 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
578 1 94 GLN HA 1 108 VAL H 3.770 3.020 4.270 4.077 3.988 4.195 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
579 1 94 GLN QB 1 108 VAL H 3.620 2.760 4.120 3.084 2.929 3.127 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
580 1 7 VAL H 1 22 ALA H 4.210 3.310 4.810 4.085 4.030 4.171 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
581 1 7 VAL QG 1 22 ALA H 4.440 3.310 4.940 2.297 1.986 2.521 1.324 14 60 [*************+*******************************-**************] 1
582 1 7 VAL HB 1 22 ALA H 4.710 3.960 5.210 5.025 4.828 5.162 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
583 1 73 PHE QB 1 88 CYS H 4.550 3.550 5.550 5.059 4.965 5.229 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
584 1 73 PHE CG 1 88 CYS H 5.330 4.150 7.430 4.961 4.769 5.197 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
585 1 95 VAL H 1 110 ILE H 4.240 3.340 4.840 4.141 3.932 4.333 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
586 1 6 THR MG 1 22 ALA H 4.800 3.940 5.300 3.775 3.043 4.539 0.897 2 32 "[*+ ** * ** * *.* * 2* *.***** * *****4 **. *5 * ** - *]" 1
587 1 36 GLN H 1 52 PHE H 5.170 4.270 5.770 5.106 4.851 5.254 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
588 1 72 SER HA 1 88 CYS H 3.070 2.320 3.570 2.394 2.333 2.503 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
589 1 72 SER HB2 1 88 CYS H 4.920 4.170 5.420 5.028 4.951 5.156 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
590 1 72 SER HB3 1 88 CYS H 5.100 4.350 5.600 4.368 4.311 4.416 0.039 31 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
591 1 94 GLN HG3 1 110 ILE H 3.830 3.080 4.330 3.480 3.413 3.531 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
592 1 94 GLN HG2 1 110 ILE H 4.410 3.660 4.910 4.855 4.821 4.883 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
593 1 5 ALA HA 1 22 ALA H 3.650 2.900 4.150 4.121 4.047 4.188 0.038 14 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
594 1 51 ASP QB 1 68 THR H 5.130 4.300 5.630 3.730 3.569 4.597 0.731 17 41 "[*** **** ** * **+ **-* *.* ** * **** *****. ** ** * **** *]" 1
595 1 50 ALA HA 1 68 THR H 3.950 2.950 4.950 4.987 4.862 5.058 0.108 59 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
596 1 50 ALA MB 1 68 THR H 5.380 3.880 5.880 3.791 3.495 4.022 0.385 59 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
597 1 5 ALA MB 1 24 ALA H 4.200 3.330 4.700 3.833 3.706 3.944 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
598 1 5 ALA HA 1 24 ALA H 3.200 2.450 3.700 3.133 2.813 3.364 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
599 1 34 VAL H 1 53 SER H 3.740 2.840 4.340 2.997 2.951 3.107 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
600 1 34 VAL H 1 53 SER QB 4.410 3.570 4.910 3.850 3.336 4.143 0.234 24 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
601 1 34 VAL QG 1 53 SER H 4.800 3.700 5.300 2.035 1.848 3.035 1.852 8 60 [*******+***************-************************************] 1
602 1 34 VAL HB 1 53 SER H 4.130 3.380 4.630 4.500 3.489 4.657 0.027 58 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
603 1 4 THR H 1 24 ALA MB 4.370 3.500 4.870 3.718 3.334 3.979 0.166 12 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
604 1 34 VAL H 1 54 SER HA 3.810 3.060 4.310 3.238 3.161 3.399 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
605 1 34 VAL QG 1 54 SER H 4.490 3.360 4.990 3.060 2.954 3.795 0.406 58 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
606 1 4 THR H 1 25 GLY QA 4.200 3.350 4.700 3.625 3.289 3.819 0.061 3 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
607 1 48 ASN H 1 69 VAL QG 6.660 5.660 8.460 5.315 5.176 5.602 0.484 41 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
608 1 4 THR H 1 26 LEU QD 6.160 5.330 6.660 2.324 2.149 2.498 3.181 28 60 [*****************-*********+********************************] 1
609 1 3 PRO HA 1 25 GLY H 3.890 3.140 4.390 3.989 3.892 4.194 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
610 1 33 ASP HA 1 55 VAL H 3.870 3.120 4.370 3.764 3.579 3.927 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
611 1 32 TYR H 1 55 VAL QG 4.600 3.480 5.100 3.657 3.524 3.710 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
612 1 32 TYR H 1 55 VAL H 3.680 2.780 4.280 3.121 2.935 3.315 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
613 1 32 TYR QB 1 55 VAL H 4.500 3.660 5.000 3.654 3.449 3.845 0.211 37 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
614 1 32 TYR H 1 56 THR HB 5.070 4.320 5.570 5.089 5.024 5.170 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
615 1 31 ALA H 1 56 THR HB 3.490 2.490 4.490 4.603 4.582 4.621 0.131 19 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
616 1 31 ALA H 1 56 THR MG 3.460 2.560 3.960 3.191 3.152 3.212 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
617 1 29 GLY H 1 56 THR MG 3.650 2.760 4.150 2.888 2.767 3.027 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
618 1 30 THR H 1 57 ALA MB 4.130 3.260 4.630 2.529 2.502 2.671 0.758 32 60 [***********-*******************+****************************] 1
619 1 30 THR H 1 58 ASP H 5.260 4.360 5.860 5.538 5.511 5.564 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
620 1 46 ALA MB 1 75 GLY H 5.430 4.590 5.930 3.894 3.790 4.156 0.800 35 59 "[**********************************+********-******** *******]" 1
621 1 46 ALA H 1 76 PHE QB 6.310 5.310 7.110 6.386 6.327 6.476 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
622 1 46 ALA MB 1 76 PHE H 5.450 4.610 5.950 3.755 3.670 3.793 0.940 53 60 [****-***********************************************+*******] 1
623 1 36 GLN H 1 67 LEU QD 5.130 4.050 5.630 3.710 3.255 4.183 0.795 24 13 "[ -* ** 1* * 2 * +.* 3 *.* * . * 5 . 6]" 1
624 1 45 LEU H 1 77 LEU QD 5.800 4.760 6.300 3.009 2.860 3.301 1.900 59 60 [****************-*****************************************+*] 1
625 1 36 GLN QE 1 70 ARG H 3.570 2.700 4.070 2.774 2.593 2.985 0.107 27 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
626 1 26 LEU H 1 61 GLY HA2 3.950 3.200 4.450 4.074 4.051 4.103 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
627 1 26 LEU H 1 61 GLY H 4.050 3.150 4.650 4.622 4.604 4.646 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
628 1 26 LEU H 1 61 GLY HA3 3.280 2.530 3.780 2.556 2.530 2.588 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
629 1 26 LEU QD 1 61 GLY H 7.080 6.100 7.580 5.292 5.248 5.347 0.852 53 60 [************************************************-***+*******] 1
630 1 25 GLY H 1 61 GLY HA2 3.920 3.170 4.420 4.663 4.640 4.683 0.263 59 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
631 1 25 GLY H 1 61 GLY HA3 4.590 3.840 5.090 3.717 3.702 3.739 0.138 50 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
632 1 26 LEU H 1 62 SER HA 4.090 3.340 4.590 4.397 4.338 4.474 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
633 1 26 LEU H 1 62 SER H 4.780 3.880 5.380 4.949 4.898 5.001 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
634 1 25 GLY H 1 61 GLY H 3.520 2.620 4.120 4.132 4.103 4.159 0.039 5 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
635 1 26 LEU QD 1 62 SER H 6.540 5.710 7.040 4.420 4.359 4.518 1.351 34 60 [********-************************+**************************] 1
636 1 25 GLY H 1 62 SER HA 4.470 3.720 4.970 3.562 3.527 3.616 0.193 55 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
637 1 25 GLY H 1 62 SER H 5.120 4.220 5.720 4.405 4.347 4.488 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
638 1 36 GLN QE 1 73 PHE HZ 4.070 3.340 4.570 3.373 3.330 3.469 0.010 39 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
639 1 26 LEU QD 1 63 ALA H 4.810 3.870 5.230 3.084 2.942 3.199 0.928 33 60 [********************************+***********-***************] 1
640 1 25 GLY H 1 63 ALA H 4.800 3.900 5.400 5.414 5.384 5.456 0.056 45 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
641 1 23 GLY H 1 63 ALA MB 4.780 3.920 5.280 3.173 3.059 3.235 0.861 17 60 [****-***********+*******************************************] 1
642 1 23 GLY QA 1 63 ALA H 4.160 3.310 4.660 3.071 2.870 3.259 0.440 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
643 1 23 GLY H 1 63 ALA H 3.000 2.100 3.600 2.287 2.241 2.336 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
644 1 23 GLY H 1 64 SER HA 3.220 2.470 3.720 3.480 3.314 3.625 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
645 1 22 ALA MB 1 63 ALA H 4.490 3.630 4.990 4.059 3.977 4.147 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
646 1 71 ARG H 1 112 PHE CZ 5.090 3.890 5.590 4.037 3.996 4.170 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
647 1 70 ARG H 1 112 PHE HZ 4.730 3.980 5.230 4.080 4.007 4.633 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
648 1 22 ALA MB 1 65 THR H 5.140 4.290 5.640 3.986 3.624 4.312 0.666 32 5 "[ . **1 . 2 . 3 + . 4* . 5 - 6]" 1
649 1 40 VAL QG 1 83 TRP HE1 4.800 3.700 5.300 3.249 3.144 3.310 0.556 44 7 "[ * . 1* . 2 . 3* . - +.* 5 *. 6]" 1
650 1 21 VAL QG 1 65 THR H 4.370 3.230 4.770 2.957 2.695 3.200 0.535 29 3 "[ . 1 . 2 . * +3 . 4 . -5 . 6]" 1
651 1 21 VAL H 1 66 SER QB 4.560 3.720 5.060 4.550 4.526 4.599 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
652 1 21 VAL H 1 66 SER HA 3.700 2.950 4.200 3.026 2.959 3.057 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
653 1 20 LYS QE 1 65 THR H 3.960 3.110 4.460 3.707 3.054 3.965 0.056 47 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
654 1 21 VAL H 1 67 LEU MD2 5.240 4.540 5.740 4.334 3.938 4.776 0.602 32 1 "[ . 1 . 2 . 3 + . 4 . 5 . 6]" 1
655 1 21 VAL H 1 67 LEU MD1 3.890 3.190 4.390 2.827 2.344 3.428 0.846 46 19 "[* . * *. * *- * . * * * . 4 * *+ * 5** .* **]" 1
656 1 19 VAL H 1 66 SER HA 4.580 3.830 5.080 4.627 4.458 4.843 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
657 1 19 VAL H 1 66 SER QB 5.020 4.190 5.520 4.451 4.294 4.552 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
658 1 19 VAL H 1 67 LEU QB 4.980 4.150 5.480 4.281 3.811 4.536 0.339 9 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
659 1 38 ALA H 1 86 VAL QG 4.960 3.870 5.460 3.901 3.851 4.039 0.019 40 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
660 1 19 VAL H 1 67 LEU H 3.730 2.830 4.330 2.951 2.926 2.990 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
661 1 19 VAL H 1 68 THR HB 5.040 4.290 5.540 5.577 5.492 5.630 0.090 13 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
662 1 40 VAL QG 1 91 ALA H 5.520 4.770 6.020 4.739 4.542 4.794 0.228 47 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
663 1 17 THR H 1 69 VAL H . 3.840 4.000 4.105 4.049 4.153 0.153 28 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
664 1 40 VAL QG 1 92 ALA H 5.510 4.460 6.010 4.687 4.615 4.751 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
665 1 17 THR H 1 70 ARG QG 4.930 4.100 5.430 4.507 3.484 4.704 0.616 28 5 "[ . 1 . 2- . + ** . 4 . 5* . 6]" 1
666 1 39 TRP H 1 92 ALA MB 6.610 5.780 7.110 4.709 4.638 4.784 1.142 48 60 [***************************************-*******+************] 1
667 1 16 GLY H 1 70 ARG QD 4.390 3.550 4.890 3.281 2.957 3.662 0.593 53 14 "[ .* 1 *.* 2* . * ** . 4 . -**+*** 6]" 1
668 1 16 GLY H 1 70 ARG HA 4.220 3.470 4.720 3.734 3.456 3.888 0.014 52 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
669 1 15 ASP H 1 70 ARG QB 4.790 3.790 5.690 3.837 3.724 3.956 0.066 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
670 1 15 ASP H 1 70 ARG QD 4.650 3.650 5.550 5.001 4.784 5.075 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
671 1 16 GLY H 1 71 ARG H 4.150 3.250 4.750 4.854 4.802 5.089 0.339 52 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
672 1 39 TRP H 1 94 GLN QE 3.910 3.060 4.410 3.886 3.826 3.923 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
673 1 38 ALA MB 1 93 CYS H 4.950 4.100 5.450 3.817 3.720 3.938 0.380 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
674 1 15 ASP H 1 71 ARG H 3.990 3.090 4.590 4.269 3.873 4.471 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
675 1 15 ASP HB3 1 71 ARG H 3.890 3.140 4.390 3.689 3.284 3.842 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
676 1 15 ASP HB2 1 71 ARG H 3.990 3.240 4.490 4.393 4.133 4.439 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
677 1 15 ASP HA 1 71 ARG H 4.010 3.260 4.510 3.159 3.117 3.206 0.143 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
678 1 38 ALA MB 1 94 GLN H 5.570 4.730 6.070 3.796 3.766 3.863 0.964 22 60 [*********************+****-*********************************] 1
679 1 36 GLN QE 1 93 CYS HB3 3.370 2.620 3.790 2.562 2.531 2.589 0.089 59 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
680 1 36 GLN QE 1 93 CYS HB2 3.400 2.970 3.900 3.065 2.863 3.251 0.107 59 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
681 1 37 CYS H 1 94 GLN H 3.910 3.010 4.000 3.764 3.640 3.847 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
682 1 37 CYS H 1 95 VAL QG 5.340 4.280 5.840 4.171 4.058 4.234 0.222 39 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
683 1 36 GLN HA 1 94 GLN H 4.710 3.960 5.210 4.980 4.804 5.115 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
684 1 36 GLN H 1 95 VAL QG 5.390 4.330 5.890 4.084 3.913 4.235 0.417 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
685 1 37 CYS H 1 96 GLY H 4.810 3.910 5.410 4.103 4.027 4.216 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
686 1 36 GLN HA 1 96 GLY H 4.000 3.250 4.500 3.783 3.662 3.922 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
687 1 35 GLY H 1 96 GLY H 3.520 2.620 4.120 3.279 3.131 3.391 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
688 1 35 GLY H 1 97 LEU HA 4.020 3.270 4.520 3.595 3.454 3.761 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
689 1 33 ASP H 1 97 LEU QB 3.500 2.500 4.400 4.006 3.969 4.046 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
690 1 33 ASP QB 1 98 SER H 4.910 4.080 5.410 3.688 3.629 3.733 0.451 35 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
691 1 32 TYR QB 1 98 SER H 3.800 2.940 4.300 2.679 2.310 2.978 0.630 26 6 "[ * 1 . 2 *.+ 3 . -4 . 5 * *. 6]" 1
692 1 32 TYR CZ 1 99 ASP H 4.410 4.140 6.510 5.430 4.926 6.000 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
693 1 23 GLY H 1 97 LEU QD 5.390 4.330 5.890 3.355 3.146 3.595 1.184 14 60 [*************+******************************-***************] 1
694 1 22 ALA H 1 97 LEU QD 6.150 5.130 6.650 4.062 3.745 4.434 1.385 16 60 [***************+-*******************************************] 1
695 1 15 ASP H 1 112 PHE CZ 4.990 3.780 7.090 6.743 5.613 7.118 0.028 10 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
696 1 13 LEU QD 1 111 SER H 5.980 4.950 6.480 3.947 3.821 4.092 1.129 17 60 [****************+*********************************-*********] 1
697 1 11 SER H 1 110 ILE HB 4.790 4.040 5.290 5.163 5.048 5.205 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
698 1 12 GLY H 1 111 SER H 3.780 2.880 4.380 4.270 4.122 4.346 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
699 1 13 LEU H 1 112 PHE QB 5.530 4.710 6.030 5.122 4.868 5.263 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
700 1 13 LEU H 1 112 PHE CG 5.800 4.660 7.900 4.922 4.796 5.340 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
701 1 13 LEU H 1 112 PHE HA 3.230 2.480 3.730 3.628 3.493 3.673 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
702 1 13 LEU H 1 113 ASN H 4.580 3.680 5.180 4.578 4.167 5.080 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
703 1 10 SER H 1 111 SER H 4.990 4.090 5.590 5.561 5.520 5.641 0.051 39 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
704 1 12 GLY H 1 113 ASN HB3 4.590 3.840 5.090 4.682 4.128 5.000 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
705 1 12 GLY QA 1 113 ASN H 4.340 3.500 4.840 3.588 3.189 4.049 0.311 18 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
706 1 1 ALA HA 1 1 ALA MB 2.760 . 3.260 2.130 2.108 2.152 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
707 1 3 PRO HA 1 3 PRO HB3 2.760 2.010 3.260 2.265 2.256 2.268 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
708 1 6 THR HA 1 6 THR HB 2.280 . 2.780 2.569 2.531 2.622 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
709 1 7 VAL HA 1 7 VAL QG 3.210 . 3.710 2.004 1.934 2.078 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
710 1 7 VAL HA 1 7 VAL HB 2.940 2.190 3.440 3.005 2.973 3.019 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
711 1 8 THR HA 1 8 THR HB 2.760 2.010 3.260 2.953 2.938 2.983 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
712 1 8 THR HA 1 8 THR MG 2.850 . 3.350 2.760 2.667 2.818 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
713 1 9 PRO HA 1 9 PRO HB3 2.570 . 3.070 2.285 2.281 2.289 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
714 1 9 PRO HA 1 9 PRO HB2 2.580 . 3.080 2.845 2.815 2.868 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
715 1 9 PRO HA 1 9 PRO QD 3.500 2.630 4.000 3.493 3.478 3.503 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
716 1 10 SER HA 1 10 SER QB 2.800 . 3.300 2.232 2.188 2.331 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
717 1 15 ASP HA 1 15 ASP HB3 2.970 2.220 3.470 2.502 2.408 2.527 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
718 1 15 ASP HA 1 15 ASP HB2 2.990 2.240 3.490 2.418 2.384 3.021 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
719 1 18 VAL HA 1 18 VAL MG2 3.350 2.450 3.850 2.404 2.309 2.507 0.141 4 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
720 1 18 VAL HA 1 18 VAL MG1 3.440 2.540 3.940 2.353 2.325 2.395 0.215 43 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
721 1 18 VAL HA 1 18 VAL HB 3.230 2.480 3.730 3.024 3.020 3.028 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
722 1 26 LEU HA 1 26 LEU QD 3.450 2.190 3.950 2.425 2.259 2.589 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
723 1 33 ASP HA 1 33 ASP HB3 3.410 2.660 3.910 2.883 2.732 2.956 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
724 1 33 ASP HA 1 33 ASP HB2 3.480 2.730 3.980 2.851 2.777 2.978 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
725 1 39 TRP HA 1 39 TRP QB 3.360 2.490 3.860 2.486 2.483 2.494 0.007 23 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
726 1 39 TRP QB 1 39 TRP HE3 3.930 3.080 4.430 2.421 2.416 2.425 0.664 59 60 [******************************************************-***+*] 1
727 1 39 TRP HB3 1 39 TRP HD1 3.600 2.850 4.100 2.959 2.952 2.972 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
728 1 39 TRP HB2 1 39 TRP HD1 3.600 2.850 4.100 3.904 3.899 3.907 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
729 1 40 VAL HA 1 40 VAL QG 3.470 2.970 3.970 2.345 2.283 2.412 0.687 1 60 [+***-*******************************************************] 1
730 1 40 VAL HA 1 40 VAL HB 2.820 2.330 3.320 2.442 2.426 2.452 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
731 1 41 ASP HA 1 41 ASP QB 3.460 2.590 3.960 2.541 2.539 2.543 0.051 47 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
732 1 45 LEU HA 1 45 LEU QD 3.510 3.320 4.010 1.828 1.809 1.859 1.511 49 60 [************************************************+********-**] 1
733 1 51 ASP HA 1 51 ASP HB2 2.780 2.030 3.280 2.822 2.579 3.033 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
734 1 51 ASP HA 1 51 ASP HB3 2.840 2.090 3.340 2.345 2.283 3.030 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
735 1 54 SER HA 1 54 SER QB 2.520 . 3.020 2.484 2.406 2.497 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
736 1 56 THR HA 1 56 THR MG 3.330 2.430 3.830 2.599 2.562 2.634 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
737 1 56 THR HA 1 56 THR HB 2.770 2.050 3.270 3.001 2.997 3.004 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
738 1 58 ASP HA 1 58 ASP HB3 2.510 . 3.010 2.678 2.507 2.978 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
739 1 58 ASP HA 1 58 ASP HB2 2.530 . 3.030 2.496 2.404 2.659 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
740 1 60 ASN HA 1 60 ASN HB2 2.490 . 2.990 2.781 2.393 3.025 0.035 32 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
741 1 60 ASN HA 1 60 ASN HB3 2.540 . 3.040 2.856 2.505 3.031 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
742 1 62 SER HA 1 62 SER QB 2.540 . 3.040 2.323 2.185 2.374 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
743 1 64 SER HA 1 64 SER QB 2.480 . 2.980 2.266 2.187 2.541 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
744 1 65 THR HA 1 65 THR HB 2.270 . 2.770 2.304 2.274 2.439 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
745 1 65 THR HA 1 65 THR MG 3.130 2.220 3.630 3.104 3.072 3.149 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
746 1 66 SER HA 1 66 SER QB 2.610 . 3.110 2.182 2.174 2.190 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
747 1 68 THR HA 1 68 THR HB 2.800 2.050 3.300 2.345 2.302 2.509 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
748 1 68 THR HA 1 68 THR MG 2.910 . 3.410 2.635 2.501 3.135 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
749 1 69 VAL HA 1 69 VAL HB 3.070 2.320 3.570 2.543 2.523 2.556 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
750 1 72 SER HA 1 72 SER QB 2.670 . 3.170 2.200 2.165 2.245 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
751 1 73 PHE HA 1 73 PHE QB 3.010 2.120 3.510 2.181 2.171 2.187 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
752 1 73 PHE HA 1 73 PHE HD1 3.250 2.500 3.750 3.756 3.728 3.860 0.110 13 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
753 1 77 LEU HA 1 77 LEU QD 3.260 . 3.760 1.983 1.805 2.077 0.165 15 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
754 1 77 LEU HA 1 77 LEU HG 2.880 2.130 3.380 2.675 2.652 2.735 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
755 1 77 LEU HA 1 77 LEU QB 3.480 2.610 3.980 2.518 2.512 2.555 0.098 6 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
756 1 78 PHE HA 1 78 PHE HB2 3.130 2.380 3.630 2.585 2.512 2.608 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
757 1 78 PHE HA 1 78 PHE HB3 3.310 2.560 3.810 3.017 3.011 3.032 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
758 1 79 ASP HA 1 79 ASP HB2 2.880 2.130 3.380 2.689 2.555 3.021 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
759 1 79 ASP HA 1 79 ASP HB3 2.970 2.220 3.470 2.954 2.368 3.019 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
760 1 81 THR HA 1 81 THR MG 2.950 2.030 3.450 2.195 1.930 2.380 0.100 5 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
761 1 83 TRP HA 1 83 TRP QB 3.360 2.490 3.860 2.473 2.462 2.495 0.028 27 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
762 1 83 TRP HB3 1 83 TRP HD1 3.380 2.630 3.880 3.835 3.824 3.839 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
763 1 83 TRP HB3 1 83 TRP HE3 3.370 2.620 3.870 2.519 2.510 2.532 0.110 33 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
764 1 83 TRP HB2 1 83 TRP HE3 3.370 2.620 3.870 4.032 4.022 4.048 0.178 44 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
765 1 83 TRP HB2 1 83 TRP HD1 3.340 2.590 3.840 2.713 2.685 2.725 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
766 1 85 THR HA 1 85 THR HB 2.720 . 3.220 2.728 2.661 2.983 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
767 1 85 THR HA 1 85 THR MG 2.820 . 3.320 2.080 1.925 2.704 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
768 1 86 VAL HA 1 86 VAL QG 3.340 2.640 3.840 2.065 2.033 2.096 0.607 9 60 [********+************************************************-**] 1
769 1 89 THR HA 1 89 THR HB 2.320 . 2.820 2.580 2.415 2.720 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
770 1 89 THR HA 1 89 THR MG 2.870 . 3.370 2.218 1.988 2.484 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
771 1 90 THR HA 1 90 THR HB 2.210 . 2.710 2.331 2.327 2.348 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
772 1 90 THR HA 1 90 THR MG 2.640 . 3.140 2.573 2.509 2.600 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
773 1 95 VAL HA 1 95 VAL HB 3.540 2.790 4.040 3.036 3.033 3.039 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
774 1 97 LEU HA 1 97 LEU QB 3.050 2.160 3.550 2.230 2.214 2.243 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
775 1 97 LEU HA 1 97 LEU QD 4.630 3.520 5.130 3.162 3.077 3.244 0.443 23 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
776 1 98 SER HA 1 98 SER QB 3.000 2.110 3.500 2.265 2.161 2.532 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
777 1 103 ASN HA 1 103 ASN HB3 2.550 . 3.050 2.818 2.240 2.840 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
778 1 103 ASN HA 1 103 ASN HB2 2.610 . 3.110 2.870 2.776 2.890 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
779 1 108 VAL HA 1 108 VAL MG1 3.140 2.230 3.640 2.871 2.837 2.894 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
780 1 108 VAL HA 1 108 VAL MG2 3.220 2.310 3.720 2.004 1.869 2.119 0.441 60 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
781 1 108 VAL HA 1 108 VAL HB 3.000 2.250 3.500 2.891 2.879 2.906 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
782 1 110 ILE HA 1 110 ILE MG 3.060 2.140 3.560 2.173 2.084 2.387 0.056 58 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
783 1 112 PHE HA 1 112 PHE QB 3.490 2.620 3.990 2.410 2.373 2.459 0.247 32 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
784 1 2 ALA HA 1 3 PRO HD2 2.460 . 2.960 2.538 1.964 2.822 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
785 1 2 ALA HA 1 3 PRO HD3 2.430 . 2.930 2.083 1.981 2.333 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
786 1 8 THR HA 1 9 PRO HA 2.250 . 2.750 2.168 2.102 2.235 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
787 1 8 THR MG 1 9 PRO QD 4.030 3.050 4.530 2.870 2.845 2.960 0.205 38 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
788 1 39 TRP HA 1 40 VAL QG 4.840 3.740 5.340 3.339 3.261 3.439 0.479 22 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
789 1 72 SER HA 1 73 PHE CG 4.180 2.860 6.280 4.418 4.234 4.519 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
790 1 104 GLY QA 1 105 PRO QD 3.990 2.990 4.360 2.063 2.029 2.101 0.961 8 60 [*******+*******-********************************************] 1
791 1 23 GLY QA 1 26 LEU QD 3.420 3.350 3.920 1.950 1.835 2.123 1.515 27 60 [*-************************+*********************************] 1
792 1 83 TRP HE3 1 86 VAL QG 3.720 3.680 4.220 2.137 2.088 2.185 1.592 31 60 [******************************+***********-*****************] 1
793 1 57 ALA HA 1 61 GLY HA2 2.150 . 2.650 1.795 1.773 1.815 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
794 1 57 ALA HA 1 61 GLY HA3 1.900 . 2.400 2.713 2.685 2.742 0.342 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
795 1 26 LEU QD 1 32 TYR CZ 4.390 3.800 6.490 4.048 3.535 4.450 0.265 37 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
796 1 40 VAL QG 1 46 ALA MB 4.640 4.180 5.140 2.784 2.675 2.912 1.505 30 60 [*****************************+***************************-**] 1
797 1 39 TRP HD1 1 45 LEU QD 4.000 3.710 4.500 2.484 2.450 2.543 1.260 49 60 [**-*********************************************+***********] 1
798 1 39 TRP HA 1 45 LEU HA 2.710 . 3.210 2.594 2.564 2.646 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
799 1 76 PHE CG 1 82 ARG HA 4.040 2.700 6.140 5.232 4.979 5.440 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
800 1 76 PHE HA 1 82 ARG HA 2.880 2.130 3.380 2.933 2.805 3.168 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
801 1 98 SER HA 1 104 GLY QA 3.770 2.910 4.270 2.115 2.092 2.158 0.818 20 60 [*********-*********+****************************************] 1
802 1 37 CYS QB 1 45 LEU QD 3.730 3.590 4.230 2.337 2.226 2.420 1.364 35 60 [******-***************************+*************************] 1
803 1 9 PRO HD2 1 19 VAL HA 2.890 2.140 3.390 2.250 2.200 2.291 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
804 1 9 PRO HD3 1 19 VAL HA 2.900 2.150 3.400 3.351 3.321 3.379 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
805 1 73 PHE CZ 1 86 VAL HB 3.890 2.520 5.990 3.398 3.188 3.535 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
806 1 73 PHE CG 1 86 VAL HB 4.220 2.910 6.320 3.791 3.702 3.905 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
807 1 7 VAL HB 1 21 VAL HA 3.440 2.690 3.940 3.944 3.861 4.039 0.099 23 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
808 1 7 VAL HA 1 21 VAL HA 2.320 . 2.820 1.839 1.800 1.862 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
809 1 72 SER HA 1 87 ASP HA 2.660 . 3.160 1.865 1.829 1.910 0.081 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
810 1 94 GLN HA 1 109 ALA HA 2.990 2.240 3.300 2.410 2.370 2.510 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
811 1 35 GLY QA 1 52 PHE CG 5.470 4.230 7.570 4.326 4.059 4.712 0.171 43 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
812 1 5 ALA HA 1 23 GLY QA 3.100 2.350 3.560 2.086 2.072 2.112 0.278 24 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
813 1 5 ALA MB 1 23 GLY QA 4.590 3.640 5.090 2.454 2.218 2.660 1.422 25 60 [************************+******************-****************] 1
814 1 33 ASP HA 1 54 SER HA 2.470 . 2.970 2.328 2.155 2.555 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
815 1 3 PRO HA 1 25 GLY HA3 2.230 . 2.830 1.920 1.848 2.001 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
816 1 3 PRO HA 1 25 GLY HA2 2.600 . 3.200 3.373 3.333 3.424 0.224 18 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
817 1 3 PRO HA 1 26 LEU QD 4.470 3.340 4.970 2.976 2.805 3.097 0.535 45 5 "[ . 1 . 2 . 3 . 4 + * 5* .* -6]" 1
818 1 48 ASN QB 1 73 PHE CG 4.890 3.580 6.990 3.076 2.888 3.262 0.692 27 34 "[* *.*** 1*** .****** *** + 3* **** 4 ***.* * - ** * * *]" 1
819 1 28 ALA HA 1 61 GLY HA3 2.530 . 3.030 3.078 3.050 3.113 0.083 17 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
820 1 28 ALA HA 1 61 GLY HA2 3.110 2.360 3.610 3.285 3.195 3.350 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
821 1 26 LEU QD 1 61 GLY QA 4.750 3.560 5.250 3.259 3.178 3.361 0.382 42 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
822 1 26 LEU QD 1 62 SER HA 4.290 3.140 4.790 3.383 3.230 3.508 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
823 1 24 ALA HA 1 62 SER HA 2.300 . 2.800 2.071 1.862 2.192 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
824 1 22 ALA HA 1 64 SER HA 2.270 . 2.770 1.916 1.860 2.125 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
825 1 20 LYS HA 1 66 SER HA 2.300 . 2.800 2.015 1.870 2.140 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
826 1 15 ASP HA 1 70 ARG HA 2.820 2.070 3.320 3.255 2.332 3.355 0.035 43 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
827 1 36 GLN HA 1 95 VAL HA 3.210 2.460 3.710 2.480 2.439 2.512 0.021 27 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
828 1 34 VAL HA 1 97 LEU HA 2.830 2.080 3.330 2.179 2.127 2.323 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
829 1 32 TYR CG 1 97 LEU QD 4.120 2.380 6.220 4.580 4.358 4.670 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
830 1 26 LEU QD 1 97 LEU QD 5.240 3.850 5.740 2.158 1.924 2.476 1.926 19 60 [******************+**-**************************************] 1
831 1 23 GLY QA 1 97 LEU QD . 3.640 3.850 2.067 1.963 2.206 1.677 51 60 [*****************-********************************+*********] 1
832 1 26 LEU QD 1 105 PRO HB2 4.110 2.940 4.610 3.643 3.596 3.692 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
833 1 26 LEU QD 1 105 PRO HB3 3.820 2.620 4.320 3.088 2.902 3.204 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
834 1 14 SER HA 1 112 PHE CG 3.490 2.040 5.590 5.282 4.621 5.572 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
835 1 10 SER HA 1 110 ILE MG 3.390 2.490 3.890 1.944 1.840 2.488 0.650 2 43 "[*+********** ** *** ***. ** ** * .*** ** * .* * ***-******6]" 1
836 1 10 SER QB 1 110 ILE HA 3.430 2.560 3.930 1.992 1.854 2.439 0.706 16 40 "[ ** *-* *******+ **2******** 3** * * ** * * *5*** **** *]" 1
837 1 10 SER HA 1 110 ILE HA . 3.000 3.290 3.218 3.141 3.250 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
838 1 7 VAL HA 1 8 THR H 2.400 2.100 2.700 2.200 2.150 2.261 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
839 1 18 VAL HA 1 19 VAL H 2.400 2.100 2.700 2.221 2.201 2.264 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
840 1 19 VAL HA 1 20 LYS H 2.400 2.100 2.700 2.360 2.337 2.392 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
841 1 19 VAL HB 1 20 LYS H 2.400 2.100 2.700 2.721 2.686 2.737 0.037 18 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
842 1 20 LYS HA 1 21 VAL H 2.400 2.100 2.700 2.193 2.181 2.199 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
843 1 21 VAL HA 1 22 ALA H 2.400 2.100 2.700 2.269 2.234 2.305 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
844 1 30 THR MG 1 31 ALA H 5.000 4.500 6.000 3.984 3.688 4.154 0.812 23 17 "[ . * 1 ** . * + * - ** .** 4** .** 5* .* 6]" 1
845 1 32 TYR CG 1 33 ASP H 5.000 4.140 7.100 4.068 3.986 4.110 0.154 23 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
846 1 34 VAL HA 1 35 GLY H 2.400 2.100 2.700 2.333 2.318 2.367 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
847 1 41 ASP HA 1 42 THR H 2.400 2.100 2.700 2.651 2.633 2.666 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
848 1 48 ASN HA 1 49 PRO QD 2.400 2.100 2.700 1.816 1.792 1.857 0.308 8 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
849 1 49 PRO HA 1 50 ALA H 3.500 3.200 4.000 3.160 3.092 3.213 0.108 59 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
850 1 55 VAL HA 1 56 THR H 2.400 2.100 2.700 2.426 2.382 2.475 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
851 1 56 THR HA 1 57 ALA H 2.400 2.100 2.700 2.196 2.166 2.218 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
852 1 65 THR HA 1 66 SER H 2.400 2.100 2.700 2.251 2.208 2.318 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
853 1 67 LEU HA 1 68 THR H 2.400 2.100 2.700 2.481 2.375 2.653 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
854 1 79 ASP HA 1 80 GLY H 3.500 3.000 4.000 3.110 3.084 3.321 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
855 1 87 ASP HA 1 88 CYS H 2.400 2.100 2.700 2.265 2.244 2.292 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
856 1 92 ALA HA 1 93 CYS H 2.400 2.100 2.700 2.237 2.222 2.244 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
857 1 93 CYS HA 1 94 GLN H 2.400 2.100 2.700 2.197 2.184 2.207 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
858 1 98 SER HA 1 99 ASP H 2.400 2.100 2.700 2.511 2.365 2.633 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
859 1 99 ASP HA 1 100 ALA H 3.500 3.000 4.000 3.021 2.888 3.445 0.112 38 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
860 1 112 PHE HA 1 113 ASN H 2.400 2.100 2.700 2.296 2.191 2.541 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
861 1 40 VAL H 1 45 LEU HA 3.500 3.000 4.000 3.791 3.762 3.868 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
862 1 47 CYS QB 1 52 PHE CZ 3.000 . 6.000 2.996 2.444 3.419 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
863 1 26 LEU QD 1 32 TYR CG 4.000 2.580 7.900 3.393 2.969 3.763 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
864 1 39 TRP HH2 1 45 LEU QD 4.400 3.610 6.200 3.782 3.645 3.853 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
865 1 39 TRP HZ2 1 45 LEU QD 3.500 2.600 5.300 2.582 2.468 2.661 0.132 58 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
866 1 38 ALA H 1 47 CYS HA 3.000 2.600 3.500 3.267 3.157 3.597 0.097 35 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
867 1 37 CYS HA 1 47 CYS HA 2.400 . 2.700 1.898 1.860 2.101 0.140 27 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
868 1 74 GLU HA 1 85 THR HA 2.400 . 2.700 2.799 2.767 2.840 0.140 53 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
869 1 73 PHE CZ 1 86 VAL QG 2.600 . 5.700 2.701 2.336 2.943 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
870 1 95 VAL H 1 108 VAL H 3.000 2.500 3.500 2.497 2.475 2.660 0.025 5 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
871 1 7 VAL QG 1 21 VAL QG 5.000 3.930 8.600 1.708 1.557 1.825 2.373 23 60 [**********************+***************-*********************] 1
872 1 36 GLN H 1 52 PHE HA 4.400 3.400 5.400 4.859 4.690 5.191 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
873 1 94 GLN HA 1 110 ILE H 3.500 2.500 4.000 2.934 2.791 3.084 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
874 1 35 GLY QA 1 52 PHE HA 3.500 2.980 4.400 2.880 2.747 3.167 0.233 43 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
875 1 93 CYS QB 1 112 PHE CZ 4.400 3.370 7.400 4.839 4.258 5.414 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
876 1 73 PHE CZ 1 93 CYS QB 4.400 3.370 7.400 2.907 2.738 3.193 0.632 43 28 "[ **.*-**1* ******* * *. *3 **** * 4 +*. 5 .*** *]" 1
877 1 88 CYS QB 1 112 PHE CZ 3.500 2.500 6.500 3.592 2.612 3.956 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
878 1 31 ALA HA 1 56 THR HA 3.000 . 3.500 1.814 1.799 1.827 0.201 49 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
879 1 48 ASN QB 1 73 PHE CZ 5.000 4.060 8.000 4.764 3.982 4.907 0.078 27 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
880 1 32 TYR CG 1 57 ALA H 3.500 2.400 6.600 4.696 4.500 4.900 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
881 1 30 THR H 1 57 ALA H 3.500 2.500 4.000 2.458 2.434 2.493 0.066 38 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
882 1 47 CYS H 1 75 GLY QA 5.000 4.000 6.000 3.633 3.429 4.010 0.571 5 10 "[ *+* *1 . * -. *3 .* 4* . 5 *. 6]" 1
883 1 47 CYS H 1 76 PHE H 3.500 2.500 4.000 3.348 3.170 3.543 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
884 1 46 ALA HA 1 76 PHE H 4.400 3.400 5.400 3.996 3.905 4.142 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
885 1 38 ALA H 1 73 PHE CZ 5.000 4.140 7.100 4.180 4.068 4.756 0.072 33 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
886 1 24 ALA HA 1 63 ALA H 3.000 . 3.500 3.603 3.439 3.696 0.196 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
887 1 44 VAL QG 1 83 TRP HZ2 5.000 4.500 5.400 4.151 4.067 4.227 0.433 6 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
888 1 44 VAL QG 1 83 TRP HD1 3.500 2.950 4.500 2.965 2.794 3.276 0.156 59 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
889 1 22 ALA HA 1 65 THR H 3.000 . 3.500 3.216 2.912 3.499 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
890 1 20 LYS HA 1 67 LEU H 3.000 . 3.500 3.495 3.393 3.558 0.058 49 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
891 1 38 ALA HA 1 93 CYS HA 3.000 . 3.500 2.393 2.237 2.588 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
892 1 38 ALA HA 1 94 GLN H 3.000 . 3.500 2.964 2.862 3.089 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
893 1 37 CYS H 1 95 VAL HA 3.000 . 3.500 3.576 3.534 3.599 0.099 32 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
894 1 34 VAL HA 1 98 SER H 4.000 3.500 4.500 4.146 4.034 4.188 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
895 1 32 TYR CG 1 97 LEU QB 5.000 4.060 8.000 4.008 3.793 4.105 0.267 8 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
896 1 32 TYR CG 1 98 SER H 3.500 2.400 5.600 4.107 3.939 4.327 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
897 1 32 TYR CG 1 99 ASP H 3.500 2.400 5.600 5.254 4.844 5.597 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
898 1 26 LEU QD 1 105 PRO QD 5.000 4.500 6.000 3.384 3.245 3.500 1.255 49 60 [********************************************-***+***********] 1
899 1 12 GLY H 1 112 PHE HA 3.500 3.000 4.000 2.980 2.952 3.007 0.048 25 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
900 1 11 SER HA 1 111 SER H 2.400 2.100 2.700 2.126 2.066 2.181 0.034 31 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
901 1 15 ASP HA 1 17 THR H 4.400 3.400 4.900 3.960 3.749 4.011 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
902 1 9 PRO QD 1 20 LYS H 4.400 3.400 5.300 3.105 3.048 3.254 0.352 9 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
903 1 36 GLN H 1 48 ASN QB 4.400 3.400 5.300 4.135 3.914 4.383 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
904 1 72 SER QB 1 88 CYS H 3.500 2.500 4.400 4.115 4.096 4.135 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
905 1 4 THR MG 1 24 ALA H 5.000 4.000 6.000 3.719 2.811 4.766 1.189 23 31 "[** ******* *. * *2* + ** * *** .** 4* * .* 5- * * ***6]" 1
906 1 4 THR HB 1 24 ALA H 4.400 3.400 5.400 4.600 3.776 5.296 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
907 1 32 TYR H 1 57 ALA H 3.500 2.500 4.000 3.850 3.614 4.028 0.028 37 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
908 1 36 GLN QE 1 73 PHE CZ 2.600 2.100 4.400 2.828 2.727 3.090 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
909 1 36 GLN QE 1 93 CYS QB 3.500 2.500 5.300 2.439 2.372 2.484 0.128 59 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
910 1 35 GLY H 2 1 CHR H14 3.000 2.600 3.400 12.961 12.626 13.313 9.913 32 60 [*******************************+*********************-******] 1
911 1 36 GLN HA 2 1 CHR C15 5.000 4.000 6.000 14.572 14.405 14.690 8.690 49 60 [**********************************-*************+***********] 1
912 1 36 GLN HA 2 1 CHR H14 3.800 3.400 4.200 14.595 14.276 14.826 10.626 46 60 [*********************************************+*******-******] 1
913 1 37 CYS H 2 1 CHR H14 3.800 3.400 4.200 12.859 12.500 13.050 8.850 46 60 [*********************************************+*******-******] 1
914 1 37 CYS QB 2 1 CHR H14 4.400 3.900 4.900 9.032 8.712 9.247 4.347 53 60 [****************************************************+-******] 1
915 1 39 TRP HZ3 2 1 CHR C15 5.000 4.000 6.000 11.208 11.037 11.401 5.401 51 60 [**************************************************+**-******] 1
916 1 39 TRP HH2 2 1 CHR H8 2.400 . 2.700 8.088 7.842 8.291 5.591 23 60 [**********************+**********************************-**] 1
917 1 39 TRP HZ3 2 1 CHR H8 4.400 3.900 4.900 9.325 9.124 9.455 4.555 24 60 [**-********************+************************************] 1
918 1 45 LEU QD 2 1 CHR C15 5.000 4.000 6.000 4.415 4.316 4.499 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
919 1 45 LEU QB 2 1 CHR H33 3.000 2.600 3.400 8.375 8.113 8.461 5.061 2 60 [*+**************************************************-*******] 1
920 1 45 LEU QD 2 1 CHR H33 3.000 2.600 3.400 7.707 7.484 7.817 4.417 23 60 [**********************+*****************************-*******] 1
921 1 45 LEU H 2 1 CHR H33 4.400 3.900 4.900 10.452 10.232 10.526 5.626 17 60 [****************+***********************************-*******] 1
922 1 45 LEU QD 2 1 CHR H8 5.000 4.000 6.000 1.992 1.867 2.110 2.133 43 60 [******************************************+**********-******] 1
923 1 78 PHE H 2 1 CHR H33 3.800 3.400 4.200 7.434 7.384 7.714 3.514 44 60 [*******************************************+************-***] 1
924 1 78 PHE HA 2 1 CHR H33 4.400 3.900 4.900 5.191 4.901 5.346 0.446 5 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
925 1 78 PHE CB 2 1 CHR H33 3.800 3.400 4.200 6.796 6.686 7.000 2.800 44 60 [*******************************************+************-***] 1
926 1 78 PHE CG 2 1 CHR H33 4.400 3.900 4.900 6.347 6.164 6.705 1.805 44 60 [*********-*********************************+****************] 1
927 1 94 GLN QB 2 1 CHR C15 5.000 4.000 6.000 12.440 12.232 12.599 6.599 17 60 [****************+***************-***************************] 1
928 1 94 GLN H 2 1 CHR C15 5.000 4.000 6.000 14.102 13.950 14.237 8.237 5 60 [****+*************************************-*****************] 1
929 1 95 VAL HA 2 1 CHR C15 4.400 3.900 4.900 15.251 15.080 15.380 10.480 59 60 [*******-**************************************************+*] 1
930 1 95 VAL HA 2 1 CHR H14 4.400 3.900 4.900 14.933 14.529 15.192 10.292 46 60 [*********************************************+*******-******] 1
931 1 96 GLY H 2 1 CHR C15 3.000 2.600 3.400 13.817 13.698 13.950 10.550 59 60 [*********************************************************-+*] 1
932 1 96 GLY H 2 1 CHR H14 3.000 2.600 3.400 13.291 12.934 13.563 10.163 46 60 [*********************************************+*******-******] 1
933 1 96 GLY QA 2 1 CHR H14 4.400 3.900 4.900 11.861 11.580 12.167 7.267 32 60 [*******************************+*************************-**] 1
934 1 97 LEU H 2 1 CHR C15 5.000 4.000 6.000 13.523 13.269 13.777 7.777 46 60 [*********************************************+**********-***] 1
935 1 98 SER QB 2 1 CHR H13 3.000 2.600 3.400 4.508 4.201 4.889 1.489 32 60 [******-************************+****************************] 1
936 1 98 SER H 2 1 CHR H13 5.000 4.000 6.000 8.528 8.303 8.784 2.784 55 60 [******************************-***********************+*****] 1
937 1 98 SER HA 2 1 CHR H13 4.400 3.900 4.900 6.789 6.412 7.151 2.251 19 60 [******************+********************************-********] 1
938 1 107 GLY QA 2 1 CHR C15 . 3.900 4.200 12.737 12.466 12.982 8.782 27 60 [**************************+***************-*****************] 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 6
_Distance_constraint_stats_list.Viol_count 4
_Distance_constraint_stats_list.Viol_total 0.575
_Distance_constraint_stats_list.Viol_max 0.006
_Distance_constraint_stats_list.Viol_rms 0.0003
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0024
_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 37 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 47 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 88 CYS 0.010 0.006 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 93 CYS 0.010 0.006 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
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 37 CYS CB 1 47 CYS SG 3.100 3.000 3.200 3.059 3.006 3.073 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
2 1 37 CYS SG 1 47 CYS CB 3.100 3.000 3.200 3.055 3.021 3.065 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
3 1 37 CYS SG 1 47 CYS SG 2.100 . 2.200 2.025 2.018 2.028 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
4 1 88 CYS CB 1 93 CYS SG 3.100 3.000 3.200 3.020 3.010 3.030 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
5 1 88 CYS SG 1 93 CYS CB 3.100 3.000 3.200 3.008 2.994 3.013 0.006 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
6 1 88 CYS SG 1 93 CYS SG 2.100 . 2.200 2.017 2.015 2.019 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 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 80
_Distance_constraint_stats_list.Viol_count 2226
_Distance_constraint_stats_list.Viol_total 9016.963
_Distance_constraint_stats_list.Viol_max 0.252
_Distance_constraint_stats_list.Viol_rms 0.0523
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0313
_Distance_constraint_stats_list.Viol_average_violations_only 0.0675
_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 THR 7.745 0.146 32 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 8 THR 0.011 0.011 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 10 SER 3.597 0.086 39 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 14 SER 11.931 0.229 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 17 THR 23.858 0.252 31 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 19 VAL 1.991 0.064 10 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 20 LYS 0.011 0.011 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 21 VAL 3.795 0.083 32 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 22 ALA 7.745 0.146 32 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 23 GLY 7.855 0.157 23 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 26 LEU 7.256 0.164 13 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 27 GLN 10.925 0.198 39 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 30 THR 24.385 0.198 39 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 32 TYR 4.621 0.088 58 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 33 ASP 1.322 0.049 41 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 34 VAL 1.875 0.074 32 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 35 GLY 15.112 0.208 52 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 36 GLN 1.553 0.084 30 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 37 CYS 5.646 0.092 22 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 38 ALA 0.019 0.013 55 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 40 VAL 6.315 0.112 33 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 44 VAL 6.315 0.112 33 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 46 ALA 0.019 0.013 55 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 47 CYS 1.106 0.062 59 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 48 ASN 1.553 0.084 30 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 53 SER 1.875 0.074 32 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 55 VAL 4.621 0.088 58 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 57 ALA 13.460 0.191 17 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 61 GLY 7.256 0.164 13 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 63 ALA 7.855 0.157 23 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 65 THR 3.795 0.083 32 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 67 LEU 1.991 0.064 10 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 69 VAL 11.927 0.252 31 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 71 ARG 2.667 0.097 43 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 73 PHE 3.494 0.118 44 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 75 GLY 7.230 0.108 53 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 76 PHE 1.106 0.062 59 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 77 LEU 6.261 0.136 21 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 81 THR 6.261 0.136 21 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 83 TRP 3.013 0.108 53 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 84 GLY 4.218 0.083 44 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 86 VAL 3.494 0.118 44 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 88 CYS 2.667 0.097 43 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 93 CYS 6.152 0.134 57 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 94 GLN 5.646 0.092 22 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 95 VAL 6.417 0.072 58 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 96 GLY 15.112 0.208 52 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 98 SER 1.322 0.049 41 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 108 VAL 6.417 0.072 58 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 110 ILE 6.152 0.134 57 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 111 SER 3.597 0.086 39 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
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 THR H 1 22 ALA O 2.000 . 2.200 2.241 2.195 2.280 0.080 12 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
2 1 6 THR N 1 22 ALA O 3.000 2.700 3.300 2.891 2.817 2.949 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
3 1 8 THR H 1 20 LYS O 2.000 . 2.200 2.063 1.878 2.211 0.011 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
4 1 8 THR N 1 20 LYS O 3.000 2.700 3.300 2.952 2.797 3.097 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
5 1 14 SER O 1 17 THR H 2.000 . 2.200 2.399 2.363 2.429 0.229 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
6 1 14 SER O 1 17 THR N 3.000 2.700 3.300 3.129 3.106 3.205 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
7 1 19 VAL H 1 67 LEU O 2.000 . 2.200 1.805 1.778 1.863 0.022 15 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
8 1 19 VAL N 1 67 LEU O 3.000 2.700 3.300 2.676 2.636 2.786 0.064 10 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
9 1 8 THR O 1 20 LYS H 2.000 . 2.200 1.919 1.807 2.039 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
10 1 8 THR O 1 20 LYS N 3.000 2.700 3.300 2.866 2.756 2.983 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
11 1 21 VAL H 1 65 THR O 2.000 . 2.200 2.250 2.207 2.283 0.083 32 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
12 1 21 VAL N 1 65 THR O 3.000 2.700 3.300 3.131 3.089 3.158 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
13 1 6 THR O 1 22 ALA H 2.000 . 2.200 1.991 1.737 2.215 0.063 11 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
14 1 6 THR O 1 22 ALA N 3.000 2.700 3.300 2.683 2.554 2.831 0.146 32 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
15 1 23 GLY H 1 63 ALA O 2.000 . 2.200 1.910 1.825 2.021 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
16 1 23 GLY N 1 63 ALA O 3.000 2.700 3.300 2.602 2.543 2.664 0.157 23 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
17 1 26 LEU H 1 61 GLY O 2.000 . 2.200 2.321 2.275 2.364 0.164 13 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
18 1 26 LEU N 1 61 GLY O 3.000 2.700 3.300 3.271 3.233 3.306 0.006 13 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
19 1 27 GLN O 1 30 THR H 2.000 . 2.200 2.382 2.364 2.398 0.198 39 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
20 1 27 GLN O 1 30 THR N 3.000 2.700 3.300 2.954 2.928 2.990 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
21 1 32 TYR H 1 55 VAL O 2.000 . 2.200 1.742 1.712 1.767 0.088 58 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
22 1 32 TYR N 1 55 VAL O 3.000 2.700 3.300 2.686 2.657 2.723 0.043 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
23 1 34 VAL H 1 53 SER O 2.000 . 2.200 2.198 1.960 2.257 0.057 32 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
24 1 34 VAL N 1 53 SER O 3.000 2.700 3.300 3.109 2.877 3.217 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
25 1 35 GLY H 1 96 GLY O 2.000 . 2.200 2.259 2.218 2.282 0.082 36 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
26 1 35 GLY N 1 96 GLY O 3.000 2.700 3.300 3.167 3.151 3.198 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
27 1 37 CYS H 1 94 GLN O 2.000 . 2.200 2.273 2.246 2.292 0.092 22 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
28 1 37 CYS N 1 94 GLN O 3.000 2.700 3.300 3.190 3.163 3.218 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
29 1 38 ALA H 1 46 ALA O 2.000 . 2.200 2.120 2.029 2.180 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
30 1 38 ALA N 1 46 ALA O 3.000 2.700 3.300 3.083 2.991 3.141 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
31 1 40 VAL H 1 44 VAL O 2.000 . 2.200 2.305 2.296 2.312 0.112 33 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
32 1 40 VAL N 1 44 VAL O 3.000 2.700 3.300 3.156 3.149 3.165 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
33 1 38 ALA O 1 46 ALA H 2.000 . 2.200 2.159 2.076 2.213 0.013 55 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
34 1 38 ALA O 1 46 ALA N 3.000 2.700 3.300 3.070 2.991 3.113 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
35 1 47 CYS H 1 76 PHE O 2.000 . 2.200 2.189 1.894 2.245 0.045 4 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
36 1 47 CYS N 1 76 PHE O 3.000 2.700 3.300 3.085 2.804 3.139 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
37 1 36 GLN O 1 48 ASN H 2.000 . 2.200 2.220 1.973 2.284 0.084 30 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
38 1 36 GLN O 1 48 ASN N 3.000 2.700 3.300 3.129 2.927 3.185 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
39 1 34 VAL O 1 53 SER H 2.000 . 2.200 1.803 1.726 1.944 0.074 32 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
40 1 34 VAL O 1 53 SER N 3.000 2.700 3.300 2.776 2.664 2.917 0.036 32 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
41 1 32 TYR O 1 55 VAL H 2.000 . 2.200 2.169 2.067 2.234 0.034 15 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
42 1 32 TYR O 1 55 VAL N 3.000 2.700 3.300 3.027 2.917 3.135 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
43 1 30 THR O 1 57 ALA H 2.000 . 2.200 2.380 2.361 2.391 0.191 17 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
44 1 30 THR O 1 57 ALA N 3.000 2.700 3.300 3.345 3.326 3.354 0.054 15 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
45 1 23 GLY O 1 63 ALA H 2.000 . 2.200 1.791 1.758 1.846 0.042 20 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
46 1 23 GLY O 1 63 ALA N 3.000 2.700 3.300 2.684 2.628 2.729 0.072 15 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
47 1 21 VAL O 1 65 THR H 2.000 . 2.200 2.143 2.025 2.243 0.043 6 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
48 1 21 VAL O 1 65 THR N 3.000 2.700 3.300 3.102 2.970 3.218 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
49 1 19 VAL O 1 67 LEU H 2.000 . 2.200 1.957 1.871 2.061 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
50 1 19 VAL O 1 67 LEU N 3.000 2.700 3.300 2.890 2.786 3.015 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
51 1 17 THR O 1 69 VAL H 2.000 . 2.200 2.399 2.333 2.452 0.252 31 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
52 1 17 THR O 1 69 VAL N 3.000 2.700 3.300 3.138 3.085 3.212 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
53 1 73 PHE H 1 86 VAL O 2.000 . 2.200 2.256 2.236 2.318 0.118 44 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
54 1 73 PHE N 1 86 VAL O 3.000 2.700 3.300 3.060 3.011 3.132 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
55 1 75 GLY H 1 84 GLY O 2.000 . 2.200 2.270 2.252 2.283 0.083 44 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
56 1 75 GLY N 1 84 GLY O 3.000 2.700 3.300 2.963 2.894 3.009 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
57 1 47 CYS O 1 76 PHE H 2.000 . 2.200 2.134 1.949 2.262 0.062 59 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
58 1 47 CYS O 1 76 PHE N 3.000 2.700 3.300 2.860 2.710 3.025 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
59 1 77 LEU H 1 81 THR O 2.000 . 2.200 2.304 2.229 2.336 0.136 21 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
60 1 77 LEU N 1 81 THR O 3.000 2.700 3.300 3.047 2.971 3.157 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
61 1 75 GLY O 1 83 TRP H 2.000 . 2.200 2.250 2.218 2.308 0.108 53 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
62 1 75 GLY O 1 83 TRP N 3.000 2.700 3.300 3.194 3.152 3.224 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
63 1 73 PHE O 1 86 VAL H 2.000 . 2.200 2.115 1.796 2.220 0.020 37 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
64 1 73 PHE O 1 86 VAL N 3.000 2.700 3.300 2.979 2.682 3.102 0.018 53 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
65 1 71 ARG O 1 88 CYS H 2.000 . 2.200 2.172 1.799 2.297 0.097 43 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
66 1 71 ARG O 1 88 CYS N 3.000 2.700 3.300 3.005 2.662 3.157 0.038 52 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
67 1 37 CYS O 1 94 GLN H 2.000 . 2.200 2.217 2.115 2.249 0.049 27 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
68 1 37 CYS O 1 94 GLN N 3.000 2.700 3.300 3.046 2.912 3.111 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
69 1 95 VAL H 1 108 VAL O 2.000 . 2.200 1.754 1.728 1.786 0.072 58 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
70 1 95 VAL N 1 108 VAL O 3.000 2.700 3.300 2.700 2.649 2.733 0.051 38 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
71 1 35 GLY O 1 96 GLY H 2.000 . 2.200 2.390 2.372 2.408 0.208 52 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
72 1 35 GLY O 1 96 GLY N 3.000 2.700 3.300 3.295 3.269 3.323 0.023 14 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
73 1 33 ASP O 1 98 SER H 2.000 . 2.200 2.220 2.147 2.249 0.049 41 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
74 1 33 ASP O 1 98 SER N 3.000 2.700 3.300 2.919 2.761 3.060 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
75 1 95 VAL O 1 108 VAL H 2.000 . 2.200 1.755 1.744 1.777 0.056 59 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
76 1 95 VAL O 1 108 VAL N 3.000 2.700 3.300 2.690 2.675 2.703 0.025 22 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
77 1 93 CYS O 1 110 ILE H 2.000 . 2.200 2.302 2.273 2.334 0.134 57 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
78 1 93 CYS O 1 110 ILE N 3.000 2.700 3.300 3.279 3.249 3.312 0.012 57 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
79 1 10 SER O 1 111 SER H 2.000 . 2.200 1.783 1.754 1.825 0.046 17 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
80 1 10 SER O 1 111 SER N 3.000 2.700 3.300 2.658 2.614 2.699 0.086 39 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
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