NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
575841 |
4csq   |
19848 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_4csq
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 1717
_Distance_constraint_stats_list.Viol_count 6138
_Distance_constraint_stats_list.Viol_total 39528.754
_Distance_constraint_stats_list.Viol_max 2.026
_Distance_constraint_stats_list.Viol_rms 0.1457
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0476
_Distance_constraint_stats_list.Viol_average_violations_only 0.2927
_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 3 HIS 11.276 0.698 6 10 "[* **-+ ** * .* 2 *]"
1 4 MET 23.106 0.800 5 10 "[* *-+** 1* ** 2 *]"
1 5 THR 34.357 0.776 5 20 "[****+************ ***]"
1 6 THR 31.434 0.800 5 13 "[* * +* **** ** -2**]"
1 7 GLN 26.635 0.685 21 15 "[*** * * *** *.** -*+*]"
1 8 ARG 64.428 0.738 5 20 "[****+* **1*****-******]"
1 9 TYR 45.263 0.735 1 19 "[+***** **-** ******* *]"
1 10 LEU 35.720 0.640 17 10 "[* ** * 1 *- . + ***]"
1 11 LEU 34.018 1.712 15 17 "[*** *-** ** * +*** ***]"
1 12 ASP 9.385 0.628 9 4 "[ - +1 * 2* ]"
1 13 GLU 6.392 0.619 15 1 "[ . 1 + 2 ]"
1 14 LEU 44.323 0.619 15 4 "[ .* 1 * + - ]"
1 15 GLU 44.377 0.571 16 8 "[ .** 1 *.+* **- ]"
1 16 THR 20.769 0.589 21 4 "[ . * 1 *. * 2+ ]"
1 17 ALA 54.159 1.387 13 18 "[*** **** 1 *+******-**]"
1 18 ASP 34.257 0.769 11 14 "[* **- ***1+ *** ** *]"
1 19 MET 57.784 0.888 10 19 "[** *****+*-******** *]"
1 20 LEU 36.613 0.724 14 8 "[ * - * *+. ** *]"
1 21 GLU 10.164 0.634 19 3 "[ . - . +* ]"
1 22 ILE 61.944 1.253 12 22 [***********+-*********]
1 23 ASP 1.991 0.484 16 0 "[ . 1 . 2 ]"
1 24 GLY 0.069 0.037 16 0 "[ . 1 . 2 ]"
1 25 LEU 15.863 0.648 11 6 "[ * * * 1+ .* -2 ]"
1 26 HIS 0.810 0.440 14 0 "[ . 1 . 2 ]"
1 27 ALA 10.496 0.758 10 5 "[ .* +* .* * ]"
1 28 TRP 29.032 0.665 16 17 "[ **** ***1** **+ **-**]"
1 29 ARG 34.478 0.678 9 12 "[ * ** +1* *** **2-*]"
1 30 PHE 57.612 0.710 18 22 [*****************+*-**]
1 31 GLU 25.365 0.798 5 22 [****+**-**************]
1 32 LEU 26.844 0.554 4 4 "[ +. * * . - ]"
1 33 ASN 23.388 1.322 11 22 [*-********+***********]
1 34 GLU 10.182 0.552 15 2 "[ . 1 - + 2 ]"
1 35 ASN 10.506 0.768 12 3 "[* . -1 + . 2 ]"
1 36 LEU 31.032 0.861 19 14 "[*** . ***** **.*- +2* ]"
1 37 LEU 31.751 0.647 4 11 "[ +* * * * *- **** ]"
1 38 ASP 10.545 0.516 6 2 "[ .+ 1 . - 2 ]"
1 39 GLN 47.046 0.861 19 16 "[*** .*********.*- +2* ]"
1 40 ALA 97.265 1.609 14 22 [*************+******-*]
1 41 ASP 41.557 0.990 8 22 [*****-*+**************]
1 42 LEU 6.839 0.311 1 0 "[ . 1 . 2 ]"
1 43 ALA 58.768 0.936 4 22 [***+*************-****]
1 44 ALA 23.045 0.655 3 2 "[ -+ . 1 . 2 ]"
1 45 GLU 4.209 0.655 3 1 "[ + . 1 . 2 ]"
1 46 ALA 14.590 0.543 17 2 "[ . - 1 . + 2 ]"
1 47 ASP 26.722 0.475 2 0 "[ . 1 . 2 ]"
1 48 GLN 42.852 0.554 5 4 "[ - + * 1 . * 2 ]"
1 49 PRO 24.702 0.800 9 11 "[* ** *+* * *. -*2 *]"
1 50 PHE 82.797 1.609 14 22 [*************+******-*]
1 51 ALA 22.052 0.534 9 5 "[ -. +1 . **2* ]"
1 52 SER 24.658 0.821 11 7 "[* . -1+ .* *** ]"
1 53 GLU 18.430 0.821 11 9 "[* -. *1+ .* **** ]"
1 54 ASP 26.903 0.789 10 22 [*****-***+************]
1 55 TRP 79.169 0.789 10 22 [*********+**-*********]
1 56 VAL 63.531 1.712 15 22 [***-**********+*******]
1 57 LEU 62.996 0.747 2 22 [*+********************]
1 58 ALA 34.981 0.637 18 15 "[*-**** *1* *** *+*2* ]"
1 59 VAL 63.105 0.665 18 20 "[-********* ******+*2**]"
1 60 GLU 17.096 0.798 5 9 "[ +* **1 * .* -**]"
1 61 SER 2.671 0.627 3 4 "[ + . * 1 . * - ]"
1 62 LEU 38.451 0.741 18 18 "[** *** *1****-**+****]"
1 63 ASP 45.894 0.779 17 21 [**********-*****+**2**]
1 64 GLY 32.170 0.841 17 21 [****************+**2*-]
1 65 ARG 34.620 0.841 17 22 [**************-*+*****]
1 66 THR 42.146 0.784 13 21 [************+******2**]
1 67 ARG 34.648 0.741 18 18 "[****** * ***-*.**+*2**]"
1 68 ARG 14.876 0.680 5 10 "[ * -+* * ** * .* 2 *]"
1 69 GLU 12.679 0.701 14 9 "[ * * -* * +.* *2 *]"
1 70 TRP 21.481 0.574 4 3 "[ +. 1 *. -2 ]"
1 71 ARG 16.154 0.701 14 5 "[ . **1 +. * 2- ]"
1 72 PHE 43.151 0.568 18 6 "[ * .* *1 * -. + 2 ]"
1 73 SER 2.201 0.395 10 0 "[ . 1 . 2 ]"
1 74 TYR 79.354 1.978 19 22 [**-***************+***]
1 75 ASN 56.111 1.978 19 22 [*******-**********+***]
1 76 ALA 32.028 0.626 22 9 "[ -. ** 1 .****2*+]"
1 77 VAL 35.759 0.635 6 10 "[ ***.+* -1 ** * 2* ]"
1 78 MET 32.952 0.599 17 9 "[ *-*. ** * . +* 2* ]"
1 79 GLU 48.538 0.745 1 13 "[+* *.* **1 * *** **-]"
1 80 ALA 104.099 1.009 5 22 [****+***************-*]
1 81 GLU 38.005 0.749 19 13 "[* * *** ***. *-+* *]"
1 82 PRO 18.175 0.561 8 4 "[ * . + 1 . *- 2 ]"
1 83 GLN 58.061 2.026 5 22 [****+********-********]
1 84 ALA 3.930 0.158 2 0 "[ . 1 . 2 ]"
1 85 ASP 4.922 0.328 2 0 "[ . 1 . 2 ]"
1 86 GLY 10.194 0.482 16 0 "[ . 1 . 2 ]"
1 87 GLU 20.011 0.657 4 10 "[ *+* **-*** *2 ]"
1 88 SER 3.016 0.348 3 0 "[ . 1 . 2 ]"
1 89 TRP 85.637 0.878 13 22 [************+*********]
1 90 ARG 21.769 1.196 9 8 "[ **. * +1 **. * 2 -]"
1 91 LEU 45.484 1.645 9 17 "[ ***** *+** ***** ** -]"
1 92 THR 69.050 1.645 9 18 "[****** *+* *** *-****]"
1 93 THR 45.146 0.885 4 22 [*-*+******************]
1 94 GLY 1.319 0.205 2 0 "[ . 1 . 2 ]"
1 95 GLU 2.541 0.247 13 0 "[ . 1 . 2 ]"
1 96 GLY 13.427 0.540 1 4 "[+ *.- 1 * . 2 ]"
1 97 ALA 50.715 0.885 4 22 [*-*+******************]
1 98 TYR 60.871 1.253 12 21 [*********1-+**********]
1 99 GLN 25.060 2.026 5 16 "[ *- +* * 1****.*******]"
1 100 LEU 70.221 0.878 13 22 [************+-********]
1 101 ARG 29.448 0.611 21 6 "[ - * ** * 2+ ]"
1 102 CYS 11.145 0.569 13 3 "[ . 1 + - 2 *]"
1 103 LEU 59.082 1.387 13 19 "[*** **** * -+*********]"
1 104 GLY 13.838 0.620 11 6 "[ - **1+ .* * ]"
1 105 ALA 19.971 0.769 11 13 "[*** . *-*1+ * * ** * *]"
1 106 VAL 34.241 1.340 11 18 "[*******- *+* **** *** ]"
1 107 SER 25.226 1.340 11 16 "[****.* *+*-**** *** ]"
1 108 ALA 4.262 0.512 15 2 "[ . 1 - + 2 ]"
1 109 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 110 GLY 3.139 0.528 11 1 "[ . 1+ . 2 ]"
1 111 GLU 5.092 0.528 11 2 "[ . - 1+ . 2 ]"
1 112 ASP 1.761 0.526 8 1 "[ . + 1 . 2 ]"
1 113 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 33 ASN HA 1 55 TRP HZ2 . . 4.080 3.256 2.954 3.727 . 0 0 "[ . 1 . 2 ]" 1
2 1 72 PHE QE 1 98 TYR QE . . 3.850 3.329 2.778 3.927 0.077 14 0 "[ . 1 . 2 ]" 1
3 1 61 SER QB 1 70 TRP HZ3 . . 4.500 2.322 1.947 2.915 . 0 0 "[ . 1 . 2 ]" 1
4 1 70 TRP QB 1 72 PHE QE . . 4.360 2.666 2.404 2.985 . 0 0 "[ . 1 . 2 ]" 1
5 1 20 LEU QB 1 30 PHE QE . . 4.660 3.342 2.724 3.940 . 0 0 "[ . 1 . 2 ]" 1
6 1 20 LEU QB 1 30 PHE QD . . 3.490 2.673 2.301 3.299 . 0 0 "[ . 1 . 2 ]" 1
7 1 20 LEU QD 1 30 PHE QD . . 3.750 3.048 2.733 3.444 . 0 0 "[ . 1 . 2 ]" 1
8 1 50 PHE QE 1 52 SER HB2 . . 4.790 2.982 2.389 4.207 . 0 0 "[ . 1 . 2 ]" 1
9 1 28 TRP HB2 1 28 TRP HE3 . . 4.130 2.456 2.371 2.538 . 0 0 "[ . 1 . 2 ]" 1
10 1 55 TRP HA 1 55 TRP HD1 . . 4.670 4.495 4.444 4.551 . 0 0 "[ . 1 . 2 ]" 1
11 1 88 SER HA 1 89 TRP HD1 . . 4.090 3.464 3.182 3.812 . 0 0 "[ . 1 . 2 ]" 1
12 1 55 TRP HB2 1 55 TRP HE3 . . 3.990 2.423 2.385 2.457 . 0 0 "[ . 1 . 2 ]" 1
13 1 55 TRP HB3 1 55 TRP HE3 . . 3.990 3.990 3.959 4.018 0.028 11 0 "[ . 1 . 2 ]" 1
14 1 27 ALA HA 1 28 TRP HD1 . . 4.360 4.078 3.707 4.574 0.214 21 0 "[ . 1 . 2 ]" 1
15 1 59 VAL HB 1 70 TRP HE3 . . 3.930 2.827 2.047 4.162 0.232 9 0 "[ . 1 . 2 ]" 1
16 1 61 SER QB 1 70 TRP HE3 . . 5.260 4.393 3.873 4.806 . 0 0 "[ . 1 . 2 ]" 1
17 1 28 TRP HD1 1 61 SER HA . . 3.920 2.355 1.930 2.902 . 0 0 "[ . 1 . 2 ]" 1
18 1 72 PHE HA 1 72 PHE QE . . 4.740 4.441 4.314 4.618 . 0 0 "[ . 1 . 2 ]" 1
19 1 72 PHE QE 1 93 THR MG . . 3.970 2.225 2.012 2.571 . 0 0 "[ . 1 . 2 ]" 1
20 1 36 LEU QD 1 74 TYR QD . . 3.750 2.742 2.251 3.263 . 0 0 "[ . 1 . 2 ]" 1
21 1 55 TRP HZ2 1 58 ALA MB . . 4.560 4.967 4.675 5.135 0.575 1 8 "[+ *. *1 -*. ***2 ]" 1
22 1 55 TRP HZ3 1 58 ALA MB . . 3.850 2.461 2.169 2.695 . 0 0 "[ . 1 . 2 ]" 1
23 1 17 ALA MB 1 30 PHE QE . . 4.280 3.358 2.906 4.535 0.255 11 0 "[ . 1 . 2 ]" 1
24 1 30 PHE QD 1 59 VAL HA . . 4.330 4.683 4.242 4.920 0.590 16 4 "[ -. 1 * *+ 2 ]" 1
25 1 40 ALA MB 1 50 PHE QD . . 3.640 2.798 2.666 2.982 . 0 0 "[ . 1 . 2 ]" 1
26 1 43 ALA MB 1 50 PHE QE . . 4.230 3.556 3.346 3.938 . 0 0 "[ . 1 . 2 ]" 1
27 1 72 PHE HA 1 72 PHE QD . . 3.530 2.466 2.242 2.856 . 0 0 "[ . 1 . 2 ]" 1
28 1 72 PHE QE 1 91 LEU QD . . 4.330 3.153 2.767 3.529 . 0 0 "[ . 1 . 2 ]" 1
29 1 9 TYR HA 1 9 TYR QD . . 3.440 2.895 2.271 3.172 . 0 0 "[ . 1 . 2 ]" 1
30 1 9 TYR HA 1 9 TYR QE . . 4.240 4.599 4.455 4.721 0.481 5 0 "[ . 1 . 2 ]" 1
31 1 7 GLN HG3 1 9 TYR QE . . 4.040 3.320 2.269 4.624 0.584 5 1 "[ + 1 . 2 ]" 1
32 1 7 GLN HG2 1 9 TYR QE . . 4.040 3.592 2.331 4.546 0.506 10 1 "[ . + . 2 ]" 1
33 1 50 PHE QE 1 74 TYR QD . . 4.700 4.065 3.879 4.480 . 0 0 "[ . 1 . 2 ]" 1
34 1 56 VAL QG 1 74 TYR QE . . 3.930 3.179 2.867 3.494 . 0 0 "[ . 1 . 2 ]" 1
35 1 70 TRP HD1 1 98 TYR QD . . 4.420 4.170 3.685 4.774 0.354 6 0 "[ . 1 . 2 ]" 1
36 1 70 TRP HD1 1 98 TYR QE . . 3.960 3.176 2.260 3.684 . 0 0 "[ . 1 . 2 ]" 1
37 1 97 ALA HA 1 98 TYR QD . . 4.190 3.669 3.245 4.128 . 0 0 "[ . 1 . 2 ]" 1
38 1 98 TYR HA 1 98 TYR QD . . 3.700 2.798 2.474 3.091 . 0 0 "[ . 1 . 2 ]" 1
39 1 93 THR MG 1 98 TYR QD . . 3.960 2.726 2.432 3.329 . 0 0 "[ . 1 . 2 ]" 1
40 1 22 ILE MG 1 98 TYR QD . . 4.200 3.459 1.960 4.356 0.156 17 0 "[ . 1 . 2 ]" 1
41 1 70 TRP HA 1 70 TRP HD1 . . 4.070 3.352 3.174 3.694 . 0 0 "[ . 1 . 2 ]" 1
42 1 70 TRP HD1 1 72 PHE HZ . . 4.140 4.048 3.029 4.606 0.466 14 0 "[ . 1 . 2 ]" 1
43 1 25 LEU QD 1 70 TRP HH2 . . 3.600 2.302 1.853 2.882 . 0 0 "[ . 1 . 2 ]" 1
44 1 61 SER QB 1 70 TRP HH2 . . 4.370 2.520 2.055 3.228 . 0 0 "[ . 1 . 2 ]" 1
45 1 89 TRP HD1 1 101 ARG HA . . 4.560 3.110 2.847 3.403 . 0 0 "[ . 1 . 2 ]" 1
46 1 8 ARG HB3 1 89 TRP HZ2 . . 4.280 3.588 2.928 4.214 . 0 0 "[ . 1 . 2 ]" 1
47 1 8 ARG HB3 1 89 TRP HH2 . . 4.370 3.907 2.379 4.831 0.461 4 0 "[ . 1 . 2 ]" 1
48 1 8 ARG HB2 1 89 TRP HH2 . . 4.370 4.100 2.907 4.889 0.519 14 1 "[ . 1 +. 2 ]" 1
49 1 31 GLU HA 1 32 LEU QD . . 4.350 4.007 3.702 4.306 . 0 0 "[ . 1 . 2 ]" 1
50 1 22 ILE MG 1 70 TRP QB . . 6.090 3.903 3.256 4.470 . 0 0 "[ . 1 . 2 ]" 1
51 1 91 LEU HA 1 92 THR MG . . 5.020 4.281 3.624 5.547 0.527 9 1 "[ . +1 . 2 ]" 1
52 1 88 SER HA 1 101 ARG QB . . 4.780 2.532 2.329 2.797 . 0 0 "[ . 1 . 2 ]" 1
53 1 81 GLU HA 1 81 GLU HG3 . . 4.110 2.861 2.444 3.704 . 0 0 "[ . 1 . 2 ]" 1
54 1 88 SER QB 1 99 GLN QG . . 4.580 2.226 2.005 3.503 . 0 0 "[ . 1 . 2 ]" 1
55 1 43 ALA MB 1 50 PHE HB3 . . 3.500 3.612 3.379 3.766 0.266 6 0 "[ . 1 . 2 ]" 1
56 1 11 LEU HA 1 14 LEU MD2 . . 4.840 2.464 2.125 4.317 . 0 0 "[ . 1 . 2 ]" 1
57 1 72 PHE HB3 1 76 ALA MB . . 4.260 2.665 2.376 3.204 . 0 0 "[ . 1 . 2 ]" 1
58 1 56 VAL QG 1 77 VAL MG2 . . 3.410 2.091 1.981 2.270 . 0 0 "[ . 1 . 2 ]" 1
59 1 43 ALA MB 1 48 GLN HB2 . . 3.750 2.349 2.164 2.580 . 0 0 "[ . 1 . 2 ]" 1
60 1 93 THR MG 1 94 GLY HA3 . . 5.810 5.480 5.272 5.702 . 0 0 "[ . 1 . 2 ]" 1
61 1 28 TRP HB2 1 61 SER HA . . 5.490 5.349 4.560 6.117 0.627 3 4 "[ + . * 1 . * - ]" 1
62 1 72 PHE HB2 1 76 ALA MB . . 4.260 4.145 3.834 4.646 0.386 11 0 "[ . 1 . 2 ]" 1
63 1 77 VAL MG1 1 78 MET HA . . 5.790 3.681 3.284 5.588 . 0 0 "[ . 1 . 2 ]" 1
64 1 74 TYR HA 1 77 VAL MG1 . . 4.850 3.901 3.441 4.406 . 0 0 "[ . 1 . 2 ]" 1
65 1 10 LEU HA 1 10 LEU MD2 . . 4.340 3.863 3.841 3.897 . 0 0 "[ . 1 . 2 ]" 1
66 1 69 GLU HG3 1 71 ARG HG3 . . 5.160 4.144 3.110 5.761 0.601 8 1 "[ . + 1 . 2 ]" 1
67 1 15 GLU HA 1 16 THR MG . . 5.030 4.696 4.482 4.924 . 0 0 "[ . 1 . 2 ]" 1
68 1 100 LEU HA 1 100 LEU QD . . 3.480 2.042 1.980 2.150 . 0 0 "[ . 1 . 2 ]" 1
69 1 22 ILE MG 1 25 LEU HB3 . . 4.820 3.065 2.574 3.855 . 0 0 "[ . 1 . 2 ]" 1
70 1 36 LEU QD 1 54 ASP QB . . 3.150 2.137 1.989 2.386 . 0 0 "[ . 1 . 2 ]" 1
71 1 100 LEU QD 1 101 ARG HA . . 4.510 4.908 4.363 5.121 0.611 21 4 "[ . 1 ** - 2+ ]" 1
72 1 8 ARG HA 1 8 ARG HG2 . . 4.070 2.547 2.298 3.067 . 0 0 "[ . 1 . 2 ]" 1
73 1 58 ALA MB 1 69 GLU HG3 . . 5.020 3.327 2.542 4.474 . 0 0 "[ . 1 . 2 ]" 1
74 1 56 VAL QG 1 73 SER HA . . 5.220 3.525 3.159 3.814 . 0 0 "[ . 1 . 2 ]" 1
75 1 56 VAL QG 1 74 TYR HB2 . . 4.700 3.038 2.818 3.144 . 0 0 "[ . 1 . 2 ]" 1
76 1 81 GLU HG3 1 82 PRO HD2 . . 4.640 4.260 2.889 5.139 0.499 15 0 "[ . 1 . 2 ]" 1
77 1 89 TRP HB2 1 91 LEU QD . . 4.160 3.373 2.649 3.840 . 0 0 "[ . 1 . 2 ]" 1
78 1 58 ALA HA 1 71 ARG HB2 . . 5.260 5.028 4.761 5.558 0.298 8 0 "[ . 1 . 2 ]" 1
79 1 11 LEU HB2 1 11 LEU QD . . 3.220 2.111 2.061 2.254 . 0 0 "[ . 1 . 2 ]" 1
80 1 53 GLU HA 1 53 GLU HG2 . . 4.010 2.594 2.373 3.536 . 0 0 "[ . 1 . 2 ]" 1
81 1 90 ARG HA 1 99 GLN HA . . 3.660 3.009 2.455 3.622 . 0 0 "[ . 1 . 2 ]" 1
82 1 26 HIS HA 1 27 ALA MB . . 4.920 3.997 3.832 4.063 . 0 0 "[ . 1 . 2 ]" 1
83 1 55 TRP HA 1 57 LEU H . . 3.980 3.821 3.687 4.073 0.093 18 0 "[ . 1 . 2 ]" 1
84 1 19 MET ME 1 103 LEU HG . . 4.210 4.200 3.685 4.902 0.692 5 2 "[ + 1 . - ]" 1
85 1 20 LEU HA 1 102 CYS HB2 . . 5.560 5.614 5.073 6.111 0.551 22 1 "[ . 1 . 2 +]" 1
86 1 80 ALA MB 1 89 TRP HB3 . . 4.330 2.233 2.020 2.635 . 0 0 "[ . 1 . 2 ]" 1
87 1 13 GLU HB2 1 102 CYS HB3 . . 5.310 4.154 3.243 4.981 . 0 0 "[ . 1 . 2 ]" 1
88 1 57 LEU HA 1 57 LEU QD . . 3.430 2.101 1.924 2.320 . 0 0 "[ . 1 . 2 ]" 1
89 1 36 LEU HA 1 39 GLN QB . . 4.230 2.903 2.678 3.112 . 0 0 "[ . 1 . 2 ]" 1
90 1 76 ALA HA 1 79 GLU HG3 . . 4.800 3.077 2.260 3.768 . 0 0 "[ . 1 . 2 ]" 1
91 1 56 VAL QG 1 74 TYR HA . . 3.500 2.028 1.926 2.131 . 0 0 "[ . 1 . 2 ]" 1
92 1 36 LEU QD 1 52 SER HA . . 4.700 4.184 3.943 4.500 . 0 0 "[ . 1 . 2 ]" 1
93 1 32 LEU HA 1 32 LEU HG . . 4.220 3.225 3.035 3.421 . 0 0 "[ . 1 . 2 ]" 1
94 1 22 ILE MD 1 70 TRP QB . . 4.380 2.678 2.360 3.043 . 0 0 "[ . 1 . 2 ]" 1
95 1 36 LEU HA 1 36 LEU QD . . 3.140 2.114 2.036 2.213 . 0 0 "[ . 1 . 2 ]" 1
96 1 21 GLU HA 1 21 GLU HG3 . . 4.120 2.941 2.559 3.383 . 0 0 "[ . 1 . 2 ]" 1
97 1 106 VAL HA 1 106 VAL MG2 . . 3.470 2.480 2.231 2.700 . 0 0 "[ . 1 . 2 ]" 1
98 1 11 LEU HA 1 14 LEU HB3 . . 4.330 4.697 4.491 4.844 0.514 6 1 "[ .+ 1 . 2 ]" 1
99 1 30 PHE QB 1 59 VAL HA . . 4.660 2.622 2.132 2.881 . 0 0 "[ . 1 . 2 ]" 1
100 1 22 ILE MD 1 100 LEU HG . . 4.480 3.126 2.242 3.990 . 0 0 "[ . 1 . 2 ]" 1
101 1 91 LEU QD 1 100 LEU HB2 . . 4.080 2.867 2.201 3.464 . 0 0 "[ . 1 . 2 ]" 1
102 1 68 ARG HA 1 68 ARG HG2 . . 4.050 3.292 2.346 3.855 . 0 0 "[ . 1 . 2 ]" 1
103 1 89 TRP HB3 1 91 LEU QD . . 4.160 3.449 2.768 4.011 . 0 0 "[ . 1 . 2 ]" 1
104 1 10 LEU HB2 1 80 ALA MB . . 4.680 2.839 2.463 3.103 . 0 0 "[ . 1 . 2 ]" 1
105 1 58 ALA HA 1 71 ARG HG3 . . 4.890 3.934 2.532 5.300 0.410 8 0 "[ . 1 . 2 ]" 1
106 1 38 ASP HA 1 39 GLN HA . . 5.630 4.766 4.717 4.801 . 0 0 "[ . 1 . 2 ]" 1
107 1 22 ILE MD 1 22 ILE MG . . 3.080 1.955 1.780 2.062 . 0 0 "[ . 1 . 2 ]" 1
108 1 11 LEU HA 1 11 LEU QD . . 3.560 2.085 1.982 2.201 . 0 0 "[ . 1 . 2 ]" 1
109 1 43 ALA MB 1 50 PHE HA . . 3.940 3.377 2.921 3.649 . 0 0 "[ . 1 . 2 ]" 1
110 1 39 GLN QB 1 40 ALA MB . . 5.080 3.918 3.790 4.122 . 0 0 "[ . 1 . 2 ]" 1
111 1 17 ALA MB 1 102 CYS HB3 . . 3.740 2.475 1.888 3.309 . 0 0 "[ . 1 . 2 ]" 1
112 1 20 LEU QD 1 102 CYS HA . . 3.380 2.220 1.949 2.493 . 0 0 "[ . 1 . 2 ]" 1
113 1 82 PRO HA 1 89 TRP HA . . 3.840 3.259 2.949 3.594 . 0 0 "[ . 1 . 2 ]" 1
114 1 88 SER HA 1 101 ARG HG2 . . 4.780 4.602 3.910 4.996 0.216 16 0 "[ . 1 . 2 ]" 1
115 1 56 VAL QG 1 76 ALA MB . . 5.230 4.374 4.072 4.665 . 0 0 "[ . 1 . 2 ]" 1
116 1 56 VAL HA 1 74 TYR HA . . 5.560 5.152 4.832 5.334 . 0 0 "[ . 1 . 2 ]" 1
117 1 56 VAL QG 1 77 VAL MG1 . . 3.410 2.650 2.160 2.926 . 0 0 "[ . 1 . 2 ]" 1
118 1 92 THR MG 1 93 THR HB . . 6.920 6.382 5.406 6.940 0.020 1 0 "[ . 1 . 2 ]" 1
119 1 42 LEU HA 1 42 LEU HG . . 3.990 2.582 2.430 3.099 . 0 0 "[ . 1 . 2 ]" 1
120 1 22 ILE MG 1 98 TYR HA . . 4.390 4.813 3.055 5.643 1.253 12 17 "[*-*** ***1 +*** ***2**]" 1
121 1 62 LEU MD2 1 67 ARG HB2 . . 5.610 3.884 2.628 5.696 0.086 10 0 "[ . 1 . 2 ]" 1
122 1 83 GLN QG 1 89 TRP HA . . 4.020 2.544 2.253 2.852 . 0 0 "[ . 1 . 2 ]" 1
123 1 62 LEU MD2 1 65 ARG HA . . 5.060 3.949 2.164 5.108 0.048 19 0 "[ . 1 . 2 ]" 1
124 1 14 LEU HA 1 17 ALA MB . . 3.500 2.334 2.080 2.680 . 0 0 "[ . 1 . 2 ]" 1
125 1 16 THR MG 1 17 ALA HA . . 5.890 5.518 5.435 5.595 . 0 0 "[ . 1 . 2 ]" 1
126 1 36 LEU QD 1 74 TYR HB2 . . 3.700 2.209 2.023 2.478 . 0 0 "[ . 1 . 2 ]" 1
127 1 20 LEU HA 1 102 CYS HA . . 3.730 2.855 2.489 3.103 . 0 0 "[ . 1 . 2 ]" 1
128 1 14 LEU HB3 1 32 LEU QD . . 3.530 3.284 2.227 3.590 0.060 4 0 "[ . 1 . 2 ]" 1
129 1 103 LEU HA 1 103 LEU HG . . 3.760 3.227 2.990 3.643 . 0 0 "[ . 1 . 2 ]" 1
130 1 102 CYS HA 1 103 LEU QD . . 4.840 4.083 3.392 4.338 . 0 0 "[ . 1 . 2 ]" 1
131 1 78 MET HA 1 78 MET ME . . 3.530 2.230 1.934 3.821 0.291 18 0 "[ . 1 . 2 ]" 1
132 1 39 GLN HA 1 39 GLN QG . . 3.340 2.520 2.409 2.613 . 0 0 "[ . 1 . 2 ]" 1
133 1 40 ALA HA 1 50 PHE HA . . 5.200 4.867 4.587 5.179 . 0 0 "[ . 1 . 2 ]" 1
134 1 76 ALA HA 1 91 LEU QD . . 5.250 3.579 3.273 3.846 . 0 0 "[ . 1 . 2 ]" 1
135 1 15 GLU HB2 1 16 THR MG . . 3.550 3.256 2.956 3.735 0.185 7 0 "[ . 1 . 2 ]" 1
136 1 36 LEU QD 1 39 GLN QB . . 3.940 3.062 2.924 3.263 . 0 0 "[ . 1 . 2 ]" 1
137 1 40 ALA MB 1 50 PHE HA . . 5.020 5.467 5.103 5.625 0.605 22 8 "[* * 1* * - ** +]" 1
138 1 71 ARG HB2 1 71 ARG HD2 . . 3.960 3.125 2.619 3.661 . 0 0 "[ . 1 . 2 ]" 1
139 1 84 ALA MB 1 85 ASP HB2 . . 5.750 4.675 4.395 5.472 . 0 0 "[ . 1 . 2 ]" 1
140 1 92 THR HA 1 92 THR MG . . 2.920 2.609 2.160 3.251 0.331 3 0 "[ . 1 . 2 ]" 1
141 1 58 ALA MB 1 69 GLU HG2 . . 5.020 3.611 2.730 5.116 0.096 19 0 "[ . 1 . 2 ]" 1
142 1 55 TRP HB2 1 73 SER HA . . 4.790 4.112 3.886 4.385 . 0 0 "[ . 1 . 2 ]" 1
143 1 88 SER QB 1 101 ARG HA . . 4.830 4.224 3.826 4.657 . 0 0 "[ . 1 . 2 ]" 1
144 1 101 ARG QB 1 101 ARG HD3 . . 3.590 2.469 2.301 3.295 . 0 0 "[ . 1 . 2 ]" 1
145 1 10 LEU HA 1 13 GLU HG2 . . 6.020 3.127 2.275 5.074 . 0 0 "[ . 1 . 2 ]" 1
146 1 58 ALA MB 1 71 ARG HA . . 4.080 3.485 3.063 3.757 . 0 0 "[ . 1 . 2 ]" 1
147 1 12 ASP HA 1 16 THR MG . . 5.340 4.995 4.039 5.929 0.589 21 1 "[ . 1 . 2+ ]" 1
148 1 22 ILE MD 1 98 TYR HA . . 4.880 4.379 4.010 5.398 0.518 20 2 "[ . 1- . + ]" 1
149 1 83 GLN QG 1 88 SER QB . . 3.570 2.645 2.180 3.066 . 0 0 "[ . 1 . 2 ]" 1
150 1 80 ALA MB 1 89 TRP HA . . 4.700 4.179 3.964 4.492 . 0 0 "[ . 1 . 2 ]" 1
151 1 16 THR H 1 17 ALA MB . . 3.850 3.805 3.601 4.073 0.223 5 0 "[ . 1 . 2 ]" 1
152 1 22 ILE HB 1 100 LEU HA . . 5.300 4.101 3.469 5.570 0.270 10 0 "[ . 1 . 2 ]" 1
153 1 36 LEU QD 1 56 VAL QG . . 3.600 2.699 2.408 3.045 . 0 0 "[ . 1 . 2 ]" 1
154 1 42 LEU HA 1 42 LEU MD2 . . 3.700 3.232 2.083 3.898 0.198 22 0 "[ . 1 . 2 ]" 1
155 1 19 MET QG 1 103 LEU HG . . 4.920 3.957 3.678 4.917 . 0 0 "[ . 1 . 2 ]" 1
156 1 69 GLU HG2 1 71 ARG HG3 . . 5.160 2.892 2.374 4.207 . 0 0 "[ . 1 . 2 ]" 1
157 1 82 PRO HA 1 83 GLN HA . . 5.060 4.380 4.333 4.428 . 0 0 "[ . 1 . 2 ]" 1
158 1 107 SER HA 1 108 ALA MB . . 4.550 4.119 3.864 5.002 0.452 11 0 "[ . 1 . 2 ]" 1
159 1 22 ILE MD 1 100 LEU HA . . 4.390 4.373 3.645 4.824 0.434 21 0 "[ . 1 . 2 ]" 1
160 1 44 ALA MB 1 45 GLU HG2 . . 4.560 4.154 3.278 4.767 0.207 18 0 "[ . 1 . 2 ]" 1
161 1 62 LEU MD2 1 67 ARG HD2 . . 5.270 3.590 2.506 4.816 . 0 0 "[ . 1 . 2 ]" 1
162 1 58 ALA MB 1 71 ARG HD2 . . 4.280 3.682 2.675 4.320 0.040 18 0 "[ . 1 . 2 ]" 1
163 1 22 ILE MD 1 59 VAL QG . . 3.020 2.111 1.851 2.547 . 0 0 "[ . 1 . 2 ]" 1
164 1 10 LEU HA 1 13 GLU HB2 . . 5.420 2.328 2.025 2.888 . 0 0 "[ . 1 . 2 ]" 1
165 1 22 ILE MG 1 100 LEU HA . . 4.520 4.876 4.479 5.058 0.538 15 3 "[* . 1 - + 2 ]" 1
166 1 88 SER HA 1 101 ARG HA . . 4.050 2.288 2.100 2.640 . 0 0 "[ . 1 . 2 ]" 1
167 1 22 ILE MD 1 98 TYR QB . . 4.350 2.258 1.890 3.296 . 0 0 "[ . 1 . 2 ]" 1
168 1 96 GLY HA3 1 97 ALA MB . . 4.780 4.079 3.875 4.448 . 0 0 "[ . 1 . 2 ]" 1
169 1 36 LEU QD 1 74 TYR HB3 . . 3.840 2.962 2.712 3.260 . 0 0 "[ . 1 . 2 ]" 1
170 1 25 LEU QD 1 63 ASP HB3 . . 3.620 3.388 2.060 4.085 0.465 2 0 "[ . 1 . 2 ]" 1
171 1 46 ALA HA 1 47 ASP HB2 . . 5.460 4.339 4.184 4.508 . 0 0 "[ . 1 . 2 ]" 1
172 1 62 LEU MD2 1 67 ARG HA . . 5.370 2.797 2.036 4.684 . 0 0 "[ . 1 . 2 ]" 1
173 1 101 ARG HD2 1 103 LEU QD . . 4.580 2.775 2.135 3.789 . 0 0 "[ . 1 . 2 ]" 1
174 1 77 VAL HA 1 91 LEU HG . . 4.820 4.760 4.427 5.225 0.405 10 0 "[ . 1 . 2 ]" 1
175 1 72 PHE HA 1 91 LEU QD . . 4.810 4.196 3.657 4.703 . 0 0 "[ . 1 . 2 ]" 1
176 1 11 LEU HB3 1 78 MET ME . . 4.370 3.537 2.492 4.827 0.457 9 0 "[ . 1 . 2 ]" 1
177 1 36 LEU HA 1 39 GLN QG . . 4.410 3.210 2.864 3.592 . 0 0 "[ . 1 . 2 ]" 1
178 1 91 LEU QD 1 100 LEU HB3 . . 4.080 4.028 3.464 4.460 0.380 19 0 "[ . 1 . 2 ]" 1
179 1 16 THR HA 1 16 THR MG . . 2.860 2.266 2.192 2.369 . 0 0 "[ . 1 . 2 ]" 1
180 1 25 LEU HA 1 25 LEU QD . . 2.880 2.615 1.949 3.035 0.155 2 0 "[ . 1 . 2 ]" 1
181 1 44 ALA MB 1 45 GLU HA . . 4.270 3.971 3.906 4.093 . 0 0 "[ . 1 . 2 ]" 1
182 1 41 ASP HA 1 44 ALA MB . . 3.200 2.404 2.201 2.826 . 0 0 "[ . 1 . 2 ]" 1
183 1 72 PHE HB2 1 91 LEU QD . . 5.730 3.777 3.178 4.179 . 0 0 "[ . 1 . 2 ]" 1
184 1 62 LEU MD1 1 67 ARG HD2 . . 5.270 4.591 2.170 6.011 0.741 18 3 "[ . 1 -. +*2 ]" 1
185 1 83 GLN HA 1 84 ALA HA . . 5.230 4.304 4.178 4.391 . 0 0 "[ . 1 . 2 ]" 1
186 1 59 VAL QG 1 70 TRP QB . . 4.570 2.106 1.860 3.281 . 0 0 "[ . 1 . 2 ]" 1
187 1 56 VAL QG 1 72 PHE HB2 . . 5.600 3.535 3.084 4.021 . 0 0 "[ . 1 . 2 ]" 1
188 1 44 ALA MB 1 45 GLU HG3 . . 4.560 4.022 3.307 5.215 0.655 3 1 "[ + . 1 . 2 ]" 1
189 1 30 PHE HA 1 59 VAL HB . . 5.380 5.020 4.171 5.813 0.433 19 0 "[ . 1 . 2 ]" 1
190 1 62 LEU MD2 1 67 ARG HB3 . . 5.610 3.801 2.159 5.822 0.212 15 0 "[ . 1 . 2 ]" 1
191 1 27 ALA MB 1 28 TRP HA . . 5.360 4.356 4.084 4.499 . 0 0 "[ . 1 . 2 ]" 1
192 1 10 LEU HA 1 13 GLU HB3 . . 5.420 3.886 3.609 4.327 . 0 0 "[ . 1 . 2 ]" 1
193 1 89 TRP HB2 1 100 LEU HB3 . . 5.130 3.593 2.940 3.929 . 0 0 "[ . 1 . 2 ]" 1
194 1 13 GLU HA 1 13 GLU HG2 . . 3.590 2.986 2.390 3.266 . 0 0 "[ . 1 . 2 ]" 1
195 1 82 PRO QB 1 89 TRP HA . . 5.260 5.040 4.746 5.329 0.069 11 0 "[ . 1 . 2 ]" 1
196 1 56 VAL HB 1 74 TYR HB3 . . 5.420 4.017 3.749 4.234 . 0 0 "[ . 1 . 2 ]" 1
197 1 11 LEU HA 1 14 LEU MD1 . . 4.840 2.772 2.104 3.226 . 0 0 "[ . 1 . 2 ]" 1
198 1 81 GLU HB2 1 82 PRO HD3 . . 4.970 5.002 4.583 5.177 0.207 18 0 "[ . 1 . 2 ]" 1
199 1 34 GLU HA 1 34 GLU QG . . 3.670 2.548 2.372 3.302 . 0 0 "[ . 1 . 2 ]" 1
200 1 96 GLY HA2 1 97 ALA HA . . 5.910 4.583 4.348 4.733 . 0 0 "[ . 1 . 2 ]" 1
201 1 33 ASN HB2 1 56 VAL QG . . 4.520 3.568 3.324 3.858 . 0 0 "[ . 1 . 2 ]" 1
202 1 43 ALA MB 1 48 GLN HB3 . . 3.750 3.332 3.138 3.580 . 0 0 "[ . 1 . 2 ]" 1
203 1 46 ALA MB 1 48 GLN HB2 . . 3.830 3.192 2.954 3.472 . 0 0 "[ . 1 . 2 ]" 1
204 1 58 ALA HA 1 71 ARG HB3 . . 5.300 4.312 3.839 4.934 . 0 0 "[ . 1 . 2 ]" 1
205 1 58 ALA MB 1 59 VAL HA . . 5.710 4.284 4.137 4.398 . 0 0 "[ . 1 . 2 ]" 1
206 1 76 ALA HA 1 79 GLU HG2 . . 4.800 2.589 1.986 4.996 0.196 1 0 "[ . 1 . 2 ]" 1
207 1 92 THR HA 1 97 ALA HA . . 3.260 2.391 2.078 2.717 . 0 0 "[ . 1 . 2 ]" 1
208 1 63 ASP HA 1 66 THR MG . . 4.590 4.786 4.010 5.369 0.779 17 10 "[ ** *** 1 -* . +* 2* ]" 1
209 1 52 SER HB3 1 74 TYR HB2 . . 5.070 3.697 2.768 5.492 0.422 4 0 "[ . 1 . 2 ]" 1
210 1 40 ALA MB 1 41 ASP HA . . 4.810 3.863 3.793 3.936 . 0 0 "[ . 1 . 2 ]" 1
211 1 69 GLU HG2 1 71 ARG HG2 . . 5.130 3.616 2.722 4.510 . 0 0 "[ . 1 . 2 ]" 1
212 1 12 ASP HA 1 15 GLU HG3 . . 5.230 3.419 2.819 4.326 . 0 0 "[ . 1 . 2 ]" 1
213 1 55 TRP HB3 1 73 SER HA . . 4.790 4.418 4.265 4.586 . 0 0 "[ . 1 . 2 ]" 1
214 1 58 ALA HA 1 71 ARG HD2 . . 5.090 5.051 4.098 5.727 0.637 18 3 "[ . *1 . + 2- ]" 1
215 1 15 GLU HB2 1 16 THR HA . . 5.030 4.657 4.437 4.948 . 0 0 "[ . 1 . 2 ]" 1
216 1 30 PHE HA 1 59 VAL HA . . 3.730 2.449 2.126 2.781 . 0 0 "[ . 1 . 2 ]" 1
217 1 29 ARG HA 1 29 ARG HD2 . . 4.850 3.805 2.117 4.837 . 0 0 "[ . 1 . 2 ]" 1
218 1 36 LEU QD 1 52 SER HB2 . . 4.010 2.494 2.148 2.857 . 0 0 "[ . 1 . 2 ]" 1
219 1 36 LEU QB 1 56 VAL HA . . 5.110 3.980 3.706 4.379 . 0 0 "[ . 1 . 2 ]" 1
220 1 33 ASN HB3 1 56 VAL QG . . 4.520 2.651 2.355 3.001 . 0 0 "[ . 1 . 2 ]" 1
221 1 41 ASP HB3 1 44 ALA MB . . 5.320 4.902 4.660 5.227 . 0 0 "[ . 1 . 2 ]" 1
222 1 4 MET HA 1 4 MET HG3 . . 3.980 3.124 2.438 3.875 . 0 0 "[ . 1 . 2 ]" 1
223 1 89 TRP HA 1 91 LEU QD . . 5.930 5.101 4.286 5.715 . 0 0 "[ . 1 . 2 ]" 1
224 1 89 TRP HB3 1 100 LEU HB3 . . 5.130 5.220 4.532 5.591 0.461 7 0 "[ . 1 . 2 ]" 1
225 1 13 GLU HB3 1 102 CYS HB3 . . 5.310 2.857 2.130 3.762 . 0 0 "[ . 1 . 2 ]" 1
226 1 27 ALA MB 1 61 SER HA . . 5.120 3.777 3.236 4.200 . 0 0 "[ . 1 . 2 ]" 1
227 1 91 LEU HA 1 91 LEU QD . . 3.980 1.972 1.906 2.042 . 0 0 "[ . 1 . 2 ]" 1
228 1 6 THR MG 1 7 GLN HA . . 5.090 4.566 3.948 5.648 0.558 22 4 "[ . 1* .* -2 +]" 1
229 1 39 GLN HA 1 42 LEU QB . . 3.720 2.182 2.014 2.387 . 0 0 "[ . 1 . 2 ]" 1
230 1 83 GLN HA 1 84 ALA MB . . 4.800 4.115 4.020 4.197 . 0 0 "[ . 1 . 2 ]" 1
231 1 55 TRP HA 1 73 SER HA . . 3.790 2.008 1.857 2.230 . 0 0 "[ . 1 . 2 ]" 1
232 1 93 THR HA 1 93 THR MG . . 3.160 2.387 2.295 2.520 . 0 0 "[ . 1 . 2 ]" 1
233 1 16 THR HA 1 17 ALA MB . . 5.340 4.827 4.676 4.963 . 0 0 "[ . 1 . 2 ]" 1
234 1 80 ALA MB 1 89 TRP HB2 . . 4.330 3.346 3.068 3.930 . 0 0 "[ . 1 . 2 ]" 1
235 1 96 GLY HA2 1 97 ALA MB . . 4.780 4.032 3.870 4.170 . 0 0 "[ . 1 . 2 ]" 1
236 1 51 ALA MB 1 52 SER HA . . 4.590 4.032 3.902 4.162 . 0 0 "[ . 1 . 2 ]" 1
237 1 27 ALA HA 1 61 SER QB . . 4.470 2.565 2.014 3.445 . 0 0 "[ . 1 . 2 ]" 1
238 1 67 ARG HA 1 67 ARG HD3 . . 4.760 4.566 2.354 5.378 0.618 8 1 "[ . + 1 . 2 ]" 1
239 1 57 LEU HA 1 58 ALA MB . . 4.820 4.061 3.993 4.118 . 0 0 "[ . 1 . 2 ]" 1
240 1 22 ILE MD 1 59 VAL HB . . 4.000 3.661 2.388 4.429 0.429 9 0 "[ . 1 . 2 ]" 1
241 1 21 GLU HA 1 27 ALA MB . . 4.940 3.775 2.907 4.132 . 0 0 "[ . 1 . 2 ]" 1
242 1 71 ARG HB3 1 71 ARG HD3 . . 3.870 3.437 2.371 3.817 . 0 0 "[ . 1 . 2 ]" 1
243 1 77 VAL HA 1 91 LEU QD . . 3.620 2.323 1.999 2.791 . 0 0 "[ . 1 . 2 ]" 1
244 1 46 ALA HA 1 47 ASP HB3 . . 5.460 4.612 4.353 4.766 . 0 0 "[ . 1 . 2 ]" 1
245 1 81 GLU HA 1 81 GLU HG2 . . 4.060 2.697 2.500 2.958 . 0 0 "[ . 1 . 2 ]" 1
246 1 101 ARG HD3 1 103 LEU QD . . 4.580 3.491 2.137 3.998 . 0 0 "[ . 1 . 2 ]" 1
247 1 4 MET ME 1 6 THR MG . . 5.710 5.045 2.787 6.510 0.800 5 2 "[ + 1 - 2 ]" 1
248 1 105 ALA HA 1 106 VAL MG2 . . 5.010 4.400 4.043 5.405 0.395 16 0 "[ . 1 . 2 ]" 1
249 1 43 ALA MB 1 48 GLN HA . . 5.460 4.663 4.494 4.818 . 0 0 "[ . 1 . 2 ]" 1
250 1 10 LEU MD1 1 80 ALA MB . . 4.710 3.883 3.666 4.131 . 0 0 "[ . 1 . 2 ]" 1
251 1 58 ALA MB 1 71 ARG HB2 . . 5.330 4.825 4.527 5.532 0.202 8 0 "[ . 1 . 2 ]" 1
252 1 40 ALA MB 1 44 ALA MB . . 5.080 4.217 4.045 4.401 . 0 0 "[ . 1 . 2 ]" 1
253 1 22 ILE MG 1 27 ALA MB . . 4.260 3.719 2.840 4.862 0.602 11 4 "[ .* -+ .* 2 ]" 1
254 1 72 PHE HB3 1 91 LEU QD . . 5.730 2.763 2.201 3.208 . 0 0 "[ . 1 . 2 ]" 1
255 1 10 LEU MD2 1 100 LEU HB3 . . 6.360 3.319 2.825 3.901 . 0 0 "[ . 1 . 2 ]" 1
256 1 34 GLU HA 1 37 LEU HG . . 4.470 3.343 2.681 4.092 . 0 0 "[ . 1 . 2 ]" 1
257 1 89 TRP HB3 1 100 LEU HB2 . . 5.130 4.089 3.648 4.611 . 0 0 "[ . 1 . 2 ]" 1
258 1 76 ALA MB 1 79 GLU HB3 . . 5.580 5.694 5.105 6.082 0.502 4 1 "[ +. 1 . 2 ]" 1
259 1 71 ARG HA 1 71 ARG HG3 . . 4.190 3.116 2.437 3.761 . 0 0 "[ . 1 . 2 ]" 1
260 1 40 ALA HA 1 43 ALA MB . . 3.400 3.013 2.340 3.307 . 0 0 "[ . 1 . 2 ]" 1
261 1 25 LEU HA 1 25 LEU HG . . 3.940 2.739 2.414 3.714 . 0 0 "[ . 1 . 2 ]" 1
262 1 13 GLU HA 1 13 GLU HG3 . . 3.850 3.660 2.807 3.807 . 0 0 "[ . 1 . 2 ]" 1
263 1 62 LEU MD1 1 67 ARG HB2 . . 5.610 5.254 2.840 6.328 0.718 2 7 "[*+ . 1*-* . 2**]" 1
264 1 90 ARG HA 1 91 LEU QD . . 4.500 4.361 3.529 4.831 0.331 5 0 "[ . 1 . 2 ]" 1
265 1 34 GLU HA 1 37 LEU HB2 . . 4.430 2.362 2.043 3.043 . 0 0 "[ . 1 . 2 ]" 1
266 1 32 LEU HA 1 32 LEU QD . . 3.110 2.164 2.021 2.397 . 0 0 "[ . 1 . 2 ]" 1
267 1 76 ALA MB 1 91 LEU QD . . 3.560 2.090 1.896 2.415 . 0 0 "[ . 1 . 2 ]" 1
268 1 27 ALA MB 1 61 SER QB . . 4.780 3.260 2.387 4.196 . 0 0 "[ . 1 . 2 ]" 1
269 1 20 LEU QB 1 102 CYS HA . . 5.400 4.220 3.581 4.774 . 0 0 "[ . 1 . 2 ]" 1
270 1 3 HIS HA 1 4 MET HG3 . . 5.600 5.476 4.572 6.298 0.698 6 1 "[ .+ 1 . 2 ]" 1
271 1 71 ARG HA 1 71 ARG HD3 . . 4.690 4.490 2.169 4.920 0.230 4 0 "[ . 1 . 2 ]" 1
272 1 99 GLN HA 1 99 GLN QG . . 3.840 2.472 2.318 2.610 . 0 0 "[ . 1 . 2 ]" 1
273 1 22 ILE HA 1 22 ILE QG . . 3.930 2.260 2.087 2.399 . 0 0 "[ . 1 . 2 ]" 1
274 1 74 TYR HA 1 77 VAL HB . . 4.510 2.809 2.405 5.057 0.547 17 1 "[ . 1 . + 2 ]" 1
275 1 21 GLU HA 1 21 GLU HG2 . . 4.120 2.800 2.479 3.290 . 0 0 "[ . 1 . 2 ]" 1
276 1 53 GLU HA 1 53 GLU HG3 . . 4.010 2.981 2.323 3.241 . 0 0 "[ . 1 . 2 ]" 1
277 1 4 MET HA 1 4 MET HG2 . . 3.610 2.760 2.347 3.766 0.156 16 0 "[ . 1 . 2 ]" 1
278 1 43 ALA HA 1 48 GLN HB3 . . 4.350 4.662 4.362 4.849 0.499 21 0 "[ . 1 . 2 ]" 1
279 1 60 GLU HA 1 69 GLU HB2 . . 4.990 3.446 2.979 3.968 . 0 0 "[ . 1 . 2 ]" 1
280 1 10 LEU HG 1 11 LEU HA . . 5.030 4.027 3.831 4.258 . 0 0 "[ . 1 . 2 ]" 1
281 1 80 ALA HA 1 91 LEU QD . . 4.510 3.035 2.803 3.407 . 0 0 "[ . 1 . 2 ]" 1
282 1 10 LEU HB3 1 80 ALA MB . . 4.680 2.924 2.623 3.457 . 0 0 "[ . 1 . 2 ]" 1
283 1 3 HIS HA 1 5 THR MG . . 5.200 5.268 3.629 5.867 0.667 6 10 "[* **-+ ** * .* 2 *]" 1
284 1 89 TRP HB2 1 100 LEU HB2 . . 5.130 2.579 2.251 3.259 . 0 0 "[ . 1 . 2 ]" 1
285 1 20 LEU HA 1 103 LEU QD . . 3.880 4.103 3.588 4.424 0.544 14 2 "[ . 1 +. - ]" 1
286 1 22 ILE MD 1 70 TRP HA . . 5.640 5.023 4.729 5.527 . 0 0 "[ . 1 . 2 ]" 1
287 1 42 LEU QB 1 42 LEU MD1 . . 3.100 2.075 2.037 2.289 . 0 0 "[ . 1 . 2 ]" 1
288 1 69 GLU HG3 1 71 ARG HG2 . . 5.130 4.416 3.762 5.831 0.701 14 1 "[ . 1 +. 2 ]" 1
289 1 97 ALA MB 1 98 TYR HA . . 5.080 4.171 3.981 4.322 . 0 0 "[ . 1 . 2 ]" 1
290 1 71 ARG HA 1 71 ARG HG2 . . 4.030 2.560 2.247 3.663 . 0 0 "[ . 1 . 2 ]" 1
291 1 17 ALA MB 1 102 CYS HB2 . . 3.740 3.162 2.190 3.967 0.227 19 0 "[ . 1 . 2 ]" 1
292 1 83 GLN HA 1 89 TRP HA . . 5.740 5.224 5.065 5.416 . 0 0 "[ . 1 . 2 ]" 1
293 1 36 LEU QD 1 52 SER HB3 . . 4.010 2.337 2.055 3.024 . 0 0 "[ . 1 . 2 ]" 1
294 1 28 TRP HA 1 29 ARG HA . . 5.080 4.526 4.413 4.596 . 0 0 "[ . 1 . 2 ]" 1
295 1 37 LEU HA 1 37 LEU MD2 . . 3.690 2.014 1.915 2.061 . 0 0 "[ . 1 . 2 ]" 1
296 1 101 ARG HA 1 101 ARG HD2 . . 5.020 4.759 4.334 4.941 . 0 0 "[ . 1 . 2 ]" 1
297 1 13 GLU HB3 1 102 CYS HB2 . . 5.310 2.769 1.943 3.205 . 0 0 "[ . 1 . 2 ]" 1
298 1 58 ALA MB 1 71 ARG HB3 . . 5.260 4.001 3.611 4.736 . 0 0 "[ . 1 . 2 ]" 1
299 1 10 LEU MD1 1 100 LEU HB2 . . 6.360 3.286 2.897 4.222 . 0 0 "[ . 1 . 2 ]" 1
300 1 58 ALA HA 1 71 ARG HA . . 3.680 2.469 2.259 2.838 . 0 0 "[ . 1 . 2 ]" 1
301 1 11 LEU QD 1 78 MET ME . . 3.910 2.470 1.939 3.124 . 0 0 "[ . 1 . 2 ]" 1
302 1 45 GLU HA 1 45 GLU HG3 . . 3.640 3.263 2.854 3.714 0.074 1 0 "[ . 1 . 2 ]" 1
303 1 84 ALA MB 1 85 ASP HB3 . . 6.010 4.958 4.196 5.611 . 0 0 "[ . 1 . 2 ]" 1
304 1 76 ALA HA 1 79 GLU HB3 . . 4.310 4.428 4.097 4.840 0.530 4 1 "[ +. 1 . 2 ]" 1
305 1 77 VAL MG2 1 78 MET HA . . 5.790 5.481 3.510 5.622 . 0 0 "[ . 1 . 2 ]" 1
306 1 56 VAL HB 1 74 TYR HA . . 4.270 2.738 2.419 3.034 . 0 0 "[ . 1 . 2 ]" 1
307 1 92 THR HB 1 97 ALA HA . . 4.260 4.594 3.957 5.050 0.790 14 9 "[* - *1 *+. ** ** ]" 1
308 1 106 VAL HA 1 106 VAL MG1 . . 3.470 2.421 2.208 3.198 . 0 0 "[ . 1 . 2 ]" 1
309 1 77 VAL HA 1 80 ALA MB . . 3.970 2.445 2.157 2.778 . 0 0 "[ . 1 . 2 ]" 1
310 1 91 LEU HA 1 91 LEU HG . . 3.730 3.727 3.686 3.774 0.044 10 0 "[ . 1 . 2 ]" 1
311 1 80 ALA HA 1 81 GLU HB3 . . 5.300 5.291 4.587 5.635 0.335 5 0 "[ . 1 . 2 ]" 1
312 1 10 LEU HA 1 10 LEU MD1 . . 4.340 2.232 2.166 2.358 . 0 0 "[ . 1 . 2 ]" 1
313 1 45 GLU HA 1 45 GLU HG2 . . 3.640 2.619 2.218 3.937 0.297 3 0 "[ . 1 . 2 ]" 1
314 1 58 ALA MB 1 71 ARG HG2 . . 3.910 2.466 2.076 3.983 0.073 8 0 "[ . 1 . 2 ]" 1
315 1 76 ALA MB 1 93 THR MG . . 3.390 2.801 2.239 3.623 0.233 22 0 "[ . 1 . 2 ]" 1
316 1 81 GLU HG2 1 82 PRO HD3 . . 4.900 4.535 3.605 5.410 0.510 18 1 "[ . 1 . + 2 ]" 1
317 1 10 LEU HA 1 80 ALA MB . . 5.640 4.832 4.473 5.148 . 0 0 "[ . 1 . 2 ]" 1
318 1 66 THR HA 1 66 THR MG . . 3.090 2.961 2.506 3.252 0.162 11 0 "[ . 1 . 2 ]" 1
319 1 49 PRO HB2 1 50 PHE HA . . 5.490 4.603 4.395 4.771 . 0 0 "[ . 1 . 2 ]" 1
320 1 37 LEU HA 1 56 VAL QG . . 5.000 4.317 4.139 4.528 . 0 0 "[ . 1 . 2 ]" 1
321 1 101 ARG HA 1 101 ARG HD3 . . 5.020 4.352 4.057 5.103 0.083 9 0 "[ . 1 . 2 ]" 1
322 1 32 LEU HA 1 57 LEU HA . . 3.980 3.073 2.604 3.353 . 0 0 "[ . 1 . 2 ]" 1
323 1 80 ALA MB 1 91 LEU HA . . 3.800 3.228 3.020 3.309 . 0 0 "[ . 1 . 2 ]" 1
324 1 11 LEU HB2 1 78 MET ME . . 4.220 2.964 2.030 3.912 . 0 0 "[ . 1 . 2 ]" 1
325 1 22 ILE MD 1 100 LEU HB2 . . 5.640 5.183 3.888 5.908 0.268 16 0 "[ . 1 . 2 ]" 1
326 1 43 ALA HA 1 46 ALA MB . . 3.310 2.531 2.225 2.877 . 0 0 "[ . 1 . 2 ]" 1
327 1 10 LEU MD2 1 80 ALA MB . . 4.710 2.271 2.137 2.444 . 0 0 "[ . 1 . 2 ]" 1
328 1 76 ALA HA 1 93 THR MG . . 5.000 4.795 4.194 5.626 0.626 22 1 "[ . 1 . 2 +]" 1
329 1 11 LEU HA 1 14 LEU HB2 . . 5.190 5.084 3.041 5.421 0.231 8 0 "[ . 1 . 2 ]" 1
330 1 56 VAL QG 1 72 PHE HB3 . . 5.600 4.002 3.507 4.530 . 0 0 "[ . 1 . 2 ]" 1
331 1 10 LEU HG 1 14 LEU HG . . 4.620 3.935 3.153 4.386 . 0 0 "[ . 1 . 2 ]" 1
332 1 74 TYR HA 1 77 VAL MG2 . . 4.850 3.415 2.118 3.739 . 0 0 "[ . 1 . 2 ]" 1
333 1 56 VAL QG 1 57 LEU HA . . 5.260 3.471 3.346 3.554 . 0 0 "[ . 1 . 2 ]" 1
334 1 52 SER HB2 1 74 TYR HB2 . . 5.070 4.580 3.142 5.337 0.267 1 0 "[ . 1 . 2 ]" 1
335 1 41 ASP HB2 1 44 ALA MB . . 5.320 4.483 4.202 4.902 . 0 0 "[ . 1 . 2 ]" 1
336 1 27 ALA HA 1 61 SER HA . . 4.110 2.813 2.253 3.321 . 0 0 "[ . 1 . 2 ]" 1
337 1 62 LEU MD1 1 67 ARG HA . . 5.370 4.251 2.797 4.972 . 0 0 "[ . 1 . 2 ]" 1
338 1 80 ALA MB 1 81 GLU HA . . 5.080 4.422 4.348 4.483 . 0 0 "[ . 1 . 2 ]" 1
339 1 10 LEU HA 1 13 GLU HG3 . . 5.670 3.123 2.278 3.829 . 0 0 "[ . 1 . 2 ]" 1
340 1 79 GLU HA 1 79 GLU HG3 . . 3.710 3.650 2.983 3.855 0.145 2 0 "[ . 1 . 2 ]" 1
341 1 80 ALA HA 1 91 LEU HA . . 3.480 3.108 2.800 3.429 . 0 0 "[ . 1 . 2 ]" 1
342 1 22 ILE MD 1 100 LEU HB3 . . 5.640 5.265 4.748 5.719 0.079 10 0 "[ . 1 . 2 ]" 1
343 1 58 ALA HA 1 71 ARG HD3 . . 5.600 4.910 2.539 5.702 0.102 18 0 "[ . 1 . 2 ]" 1
344 1 63 ASP HB3 1 66 THR MG . . 4.340 3.302 2.102 4.778 0.438 21 0 "[ . 1 . 2 ]" 1
345 1 50 PHE HA 1 51 ALA MB . . 4.560 3.987 3.896 4.125 . 0 0 "[ . 1 . 2 ]" 1
346 1 60 GLU HA 1 69 GLU HB3 . . 4.990 4.259 2.472 5.216 0.226 1 0 "[ . 1 . 2 ]" 1
347 1 58 ALA MB 1 71 ARG HG3 . . 4.190 3.493 2.300 4.615 0.425 8 0 "[ . 1 . 2 ]" 1
348 1 14 LEU HA 1 14 LEU HG . . 4.220 3.674 3.159 3.736 . 0 0 "[ . 1 . 2 ]" 1
349 1 43 ALA HA 1 48 GLN HB2 . . 4.350 3.052 2.724 3.238 . 0 0 "[ . 1 . 2 ]" 1
350 1 62 LEU MD1 1 67 ARG HB3 . . 5.610 5.051 2.538 6.294 0.684 6 4 "[ *-+ 1 . * 2 ]" 1
351 1 37 LEU HA 1 37 LEU MD1 . . 3.690 3.790 3.717 3.845 0.155 19 0 "[ . 1 . 2 ]" 1
352 1 34 GLU HA 1 37 LEU HB3 . . 4.430 4.009 3.682 4.681 0.251 15 0 "[ . 1 . 2 ]" 1
353 1 42 LEU QB 1 42 LEU MD2 . . 3.100 2.205 2.060 2.308 . 0 0 "[ . 1 . 2 ]" 1
354 1 8 ARG HA 1 8 ARG HG3 . . 4.070 3.338 2.848 3.937 . 0 0 "[ . 1 . 2 ]" 1
355 1 4 MET HA 1 5 THR MG . . 4.580 4.522 3.907 5.356 0.776 5 8 "[* * + * 1* *- 2 *]" 1
356 1 6 THR HA 1 6 THR MG . . 2.800 2.752 2.203 3.258 0.458 4 0 "[ . 1 . 2 ]" 1
357 1 19 MET HA 1 19 MET QG . . 3.440 2.661 2.450 3.354 . 0 0 "[ . 1 . 2 ]" 1
358 1 81 GLU HA 1 82 PRO HD3 . . 3.890 2.349 1.985 2.514 . 0 0 "[ . 1 . 2 ]" 1
359 1 62 LEU HA 1 62 LEU MD2 . . 3.890 2.572 2.083 3.735 . 0 0 "[ . 1 . 2 ]" 1
360 1 43 ALA MB 1 50 PHE HB2 . . 3.500 2.123 1.980 2.350 . 0 0 "[ . 1 . 2 ]" 1
361 1 56 VAL QG 1 77 VAL HB . . 4.060 2.585 2.275 3.751 . 0 0 "[ . 1 . 2 ]" 1
362 1 20 LEU HA 1 20 LEU QD . . 3.250 2.086 1.944 2.250 . 0 0 "[ . 1 . 2 ]" 1
363 1 12 ASP HA 1 15 GLU HG2 . . 5.230 4.052 3.084 5.206 . 0 0 "[ . 1 . 2 ]" 1
364 1 87 GLU HA 1 88 SER HA . . 5.990 4.657 4.583 4.744 . 0 0 "[ . 1 . 2 ]" 1
365 1 22 ILE HA 1 100 LEU HG . . 4.450 4.214 3.753 4.746 0.296 16 0 "[ . 1 . 2 ]" 1
366 1 17 ALA HA 1 102 CYS HB3 . . 5.330 4.327 2.898 5.735 0.405 7 0 "[ . 1 . 2 ]" 1
367 1 62 LEU HA 1 62 LEU MD1 . . 3.890 3.565 2.722 3.884 . 0 0 "[ . 1 . 2 ]" 1
368 1 33 ASN HB2 1 56 VAL HA . . 4.120 2.268 2.131 2.510 . 0 0 "[ . 1 . 2 ]" 1
369 1 103 LEU HA 1 103 LEU QD . . 2.900 2.215 1.998 2.548 . 0 0 "[ . 1 . 2 ]" 1
370 1 28 TRP HB3 1 61 SER HA . . 5.660 3.835 2.908 4.748 . 0 0 "[ . 1 . 2 ]" 1
371 1 93 THR HB 1 94 GLY HA3 . . 5.720 4.223 4.044 4.562 . 0 0 "[ . 1 . 2 ]" 1
372 1 10 LEU MD1 1 100 LEU HB3 . . 6.360 2.751 2.408 3.202 . 0 0 "[ . 1 . 2 ]" 1
373 1 14 LEU HA 1 14 LEU MD2 . . 4.440 3.957 2.200 4.064 . 0 0 "[ . 1 . 2 ]" 1
374 1 13 GLU HB2 1 102 CYS HB2 . . 5.310 4.293 3.516 4.723 . 0 0 "[ . 1 . 2 ]" 1
375 1 31 GLU HA 1 32 LEU HG . . 4.900 3.685 3.354 4.034 . 0 0 "[ . 1 . 2 ]" 1
376 1 63 ASP HB2 1 66 THR MG . . 4.800 4.058 2.073 4.703 . 0 0 "[ . 1 . 2 ]" 1
377 1 60 GLU HA 1 69 GLU HA . . 3.930 2.292 2.131 2.680 . 0 0 "[ . 1 . 2 ]" 1
378 1 5 THR HA 1 5 THR MG . . 3.120 2.231 2.158 2.313 . 0 0 "[ . 1 . 2 ]" 1
379 1 80 ALA MB 1 91 LEU QD . . 3.200 1.988 1.885 2.148 . 0 0 "[ . 1 . 2 ]" 1
380 1 14 LEU HA 1 14 LEU MD1 . . 4.440 3.757 3.724 3.919 . 0 0 "[ . 1 . 2 ]" 1
381 1 55 TRP HA 1 56 VAL QG . . 4.770 3.889 3.701 4.038 . 0 0 "[ . 1 . 2 ]" 1
382 1 91 LEU QD 1 93 THR MG . . 3.220 2.459 1.911 3.503 0.283 22 0 "[ . 1 . 2 ]" 1
383 1 68 ARG HA 1 68 ARG HG3 . . 4.050 2.647 2.317 3.213 . 0 0 "[ . 1 . 2 ]" 1
384 1 22 ILE MG 1 98 TYR QB . . 4.260 3.576 2.146 4.197 . 0 0 "[ . 1 . 2 ]" 1
385 1 17 ALA HA 1 102 CYS HB2 . . 5.330 4.697 3.028 5.864 0.534 15 1 "[ . 1 + 2 ]" 1
386 1 58 ALA HA 1 71 ARG HG2 . . 4.440 2.932 2.102 4.274 . 0 0 "[ . 1 . 2 ]" 1
387 1 63 ASP HA 1 64 GLY HA2 . . 5.650 4.379 4.340 4.434 . 0 0 "[ . 1 . 2 ]" 1
388 1 65 ARG HA 1 66 THR MG . . 5.480 5.387 4.602 6.079 0.599 13 1 "[ . 1 + . 2 ]" 1
389 1 36 LEU HA 1 36 LEU HG . . 3.550 2.952 2.870 3.019 . 0 0 "[ . 1 . 2 ]" 1
390 1 22 ILE HA 1 100 LEU HA . . 3.690 2.766 2.547 3.146 . 0 0 "[ . 1 . 2 ]" 1
391 1 36 LEU QD 1 54 ASP HA . . 4.970 4.370 4.190 4.541 . 0 0 "[ . 1 . 2 ]" 1
392 1 33 ASN HB3 1 56 VAL HA . . 4.120 2.347 2.166 2.491 . 0 0 "[ . 1 . 2 ]" 1
393 1 71 ARG HB3 1 71 ARG HD2 . . 4.040 2.673 2.388 4.229 0.189 14 0 "[ . 1 . 2 ]" 1
394 1 79 GLU HA 1 79 GLU HG2 . . 3.710 3.575 2.468 4.217 0.507 12 1 "[ . 1 + . 2 ]" 1
395 1 72 PHE HA 1 93 THR MG . . 4.120 3.998 3.414 4.568 0.448 3 0 "[ . 1 . 2 ]" 1
396 1 81 GLU HG2 1 82 PRO HD2 . . 4.700 3.490 2.337 4.743 0.043 18 0 "[ . 1 . 2 ]" 1
397 1 101 ARG QB 1 101 ARG HD2 . . 3.590 3.088 2.281 3.326 . 0 0 "[ . 1 . 2 ]" 1
398 1 36 LEU QD 1 56 VAL HA . . 4.150 3.293 3.009 3.729 . 0 0 "[ . 1 . 2 ]" 1
399 1 93 THR HA 1 94 GLY HA3 . . 5.530 4.685 4.601 4.733 . 0 0 "[ . 1 . 2 ]" 1
400 1 20 LEU HA 1 102 CYS HB3 . . 5.560 4.962 4.527 5.343 . 0 0 "[ . 1 . 2 ]" 1
401 1 33 ASN HA 1 56 VAL HA . . 4.960 4.511 4.342 4.676 . 0 0 "[ . 1 . 2 ]" 1
402 1 80 ALA HA 1 81 GLU HG3 . . 5.110 4.454 3.271 5.859 0.749 19 8 "[ . *** ***. +- ]" 1
403 1 56 VAL QG 1 74 TYR HB3 . . 4.880 4.045 3.925 4.131 . 0 0 "[ . 1 . 2 ]" 1
404 1 62 LEU MD1 1 65 ARG HA . . 5.060 4.645 3.117 5.704 0.644 16 3 "[ . 1 -+ * ]" 1
405 1 96 GLY HA3 1 97 ALA HA . . 5.910 4.436 4.381 4.513 . 0 0 "[ . 1 . 2 ]" 1
406 1 42 LEU HA 1 42 LEU MD1 . . 3.700 3.524 2.144 3.853 0.153 6 0 "[ . 1 . 2 ]" 1
407 1 43 ALA MB 1 49 PRO HA . . 4.940 4.492 4.197 4.676 . 0 0 "[ . 1 . 2 ]" 1
408 1 22 ILE MG 1 27 ALA HA . . 5.620 5.124 4.141 6.378 0.758 10 5 "[ .* +- .* * ]" 1
409 1 72 PHE HA 1 76 ALA MB . . 4.310 3.608 3.341 3.889 . 0 0 "[ . 1 . 2 ]" 1
410 1 22 ILE HA 1 22 ILE MD . . 3.850 3.718 3.624 3.808 . 0 0 "[ . 1 . 2 ]" 1
411 1 71 ARG HB2 1 71 ARG HD3 . . 3.810 3.567 2.456 3.860 0.050 15 0 "[ . 1 . 2 ]" 1
412 1 71 ARG HA 1 71 ARG HD2 . . 4.540 4.295 3.326 4.828 0.288 20 0 "[ . 1 . 2 ]" 1
413 1 31 GLU HA 1 58 ALA MB . . 5.560 4.696 4.382 5.089 . 0 0 "[ . 1 . 2 ]" 1
414 1 17 ALA MB 1 102 CYS HA . . 3.930 3.038 2.702 3.369 . 0 0 "[ . 1 . 2 ]" 1
415 1 88 SER HA 1 101 ARG HG3 . . 4.780 3.250 2.561 3.831 . 0 0 "[ . 1 . 2 ]" 1
416 1 63 ASP HA 1 64 GLY HA3 . . 5.650 4.388 4.325 4.419 . 0 0 "[ . 1 . 2 ]" 1
417 1 67 ARG HA 1 67 ARG HD2 . . 4.720 3.791 2.147 4.433 . 0 0 "[ . 1 . 2 ]" 1
418 1 57 LEU HB3 1 72 PHE QD . . 4.390 2.712 2.042 3.389 . 0 0 "[ . 1 . 2 ]" 1
419 1 70 TRP QB 1 72 PHE QD . . 3.850 3.772 3.564 3.909 0.059 18 0 "[ . 1 . 2 ]" 1
420 1 50 PHE QE 1 52 SER HB3 . . 4.790 3.176 2.692 4.337 . 0 0 "[ . 1 . 2 ]" 1
421 1 22 ILE MD 1 70 TRP HD1 . . 4.690 3.914 3.221 4.930 0.240 20 0 "[ . 1 . 2 ]" 1
422 1 14 LEU HB2 1 30 PHE QE . . 4.600 3.602 2.451 4.929 0.329 5 0 "[ . 1 . 2 ]" 1
423 1 22 ILE MD 1 72 PHE HZ . . 3.880 2.112 1.884 2.772 . 0 0 "[ . 1 . 2 ]" 1
424 1 57 LEU HG 1 72 PHE QD . . 4.100 3.220 2.554 4.528 0.428 6 0 "[ . 1 . 2 ]" 1
425 1 97 ALA HA 1 98 TYR QE . . 4.760 4.862 4.591 5.159 0.399 6 0 "[ . 1 . 2 ]" 1
426 1 91 LEU QD 1 98 TYR QD . . 4.570 3.891 2.930 4.606 0.036 2 0 "[ . 1 . 2 ]" 1
427 1 22 ILE MD 1 70 TRP HE3 . . 4.720 3.244 2.496 4.353 . 0 0 "[ . 1 . 2 ]" 1
428 1 19 MET HA 1 30 PHE QD . . 4.840 4.001 3.177 4.621 . 0 0 "[ . 1 . 2 ]" 1
429 1 50 PHE QE 1 74 TYR QE . . 4.200 4.132 3.860 4.475 0.275 4 0 "[ . 1 . 2 ]" 1
430 1 55 TRP HH2 1 58 ALA MB . . 3.710 3.589 3.295 3.799 0.089 4 0 "[ . 1 . 2 ]" 1
431 1 43 ALA MB 1 50 PHE QD . . 3.450 2.164 2.045 2.438 . 0 0 "[ . 1 . 2 ]" 1
432 1 74 TYR HA 1 74 TYR QD . . 4.330 2.914 2.753 3.059 . 0 0 "[ . 1 . 2 ]" 1
433 1 25 LEU QD 1 70 TRP HZ2 . . 3.490 3.145 2.028 3.994 0.504 19 1 "[ . 1 . +2 ]" 1
434 1 50 PHE HA 1 50 PHE QD . . 3.560 2.671 2.404 2.869 . 0 0 "[ . 1 . 2 ]" 1
435 1 55 TRP HZ3 1 57 LEU HA . . 4.630 2.921 2.785 3.148 . 0 0 "[ . 1 . 2 ]" 1
436 1 20 LEU QD 1 30 PHE QE . . 4.860 3.472 2.964 3.956 . 0 0 "[ . 1 . 2 ]" 1
437 1 19 MET HA 1 30 PHE QE . . 4.150 3.133 2.049 3.956 . 0 0 "[ . 1 . 2 ]" 1
438 1 55 TRP HH2 1 57 LEU HA . . 4.260 4.922 4.833 5.007 0.747 2 22 [-+********************] 1
439 1 72 PHE HZ 1 98 TYR QB . . 5.180 2.588 2.115 3.090 . 0 0 "[ . 1 . 2 ]" 1
440 1 70 TRP QB 1 72 PHE HZ . . 5.280 2.874 2.490 3.412 . 0 0 "[ . 1 . 2 ]" 1
441 1 59 VAL HB 1 70 TRP HZ3 . . 4.700 3.806 2.928 5.130 0.430 9 0 "[ . 1 . 2 ]" 1
442 1 33 ASN HA 1 55 TRP HH2 . . 4.080 3.724 3.306 4.078 . 0 0 "[ . 1 . 2 ]" 1
443 1 72 PHE HZ 1 91 LEU QD . . 5.220 4.265 3.836 4.489 . 0 0 "[ . 1 . 2 ]" 1
444 1 70 TRP HD1 1 72 PHE QE . . 4.340 4.449 3.706 4.900 0.560 14 1 "[ . 1 +. 2 ]" 1
445 1 22 ILE MG 1 70 TRP HZ2 . . 4.740 3.753 3.289 4.226 . 0 0 "[ . 1 . 2 ]" 1
446 1 72 PHE QD 1 93 THR MG . . 3.650 2.403 2.019 2.970 . 0 0 "[ . 1 . 2 ]" 1
447 1 40 ALA HA 1 50 PHE QE . . 4.630 3.867 3.642 4.125 . 0 0 "[ . 1 . 2 ]" 1
448 1 72 PHE QE 1 98 TYR QD . . 3.880 2.445 2.121 2.953 . 0 0 "[ . 1 . 2 ]" 1
449 1 59 VAL QG 1 72 PHE QD . . 3.610 2.942 2.250 3.446 . 0 0 "[ . 1 . 2 ]" 1
450 1 14 LEU HB2 1 30 PHE QD . . 5.020 4.464 3.852 5.146 0.126 5 0 "[ . 1 . 2 ]" 1
451 1 17 ALA MB 1 30 PHE HZ . . 4.030 2.869 2.148 4.345 0.315 11 0 "[ . 1 . 2 ]" 1
452 1 72 PHE QD 1 91 LEU QD . . 3.970 2.577 2.378 2.783 . 0 0 "[ . 1 . 2 ]" 1
453 1 50 PHE QD 1 74 TYR QD . . 4.260 3.574 3.196 3.849 . 0 0 "[ . 1 . 2 ]" 1
454 1 36 LEU QD 1 74 TYR QE . . 4.550 4.061 3.580 4.458 . 0 0 "[ . 1 . 2 ]" 1
455 1 51 ALA MB 1 74 TYR QD . . 4.330 4.051 3.515 4.640 0.310 22 0 "[ . 1 . 2 ]" 1
456 1 87 GLU HA 1 89 TRP HZ2 . . 4.540 4.799 3.750 5.197 0.657 4 10 "[ *+* **-*** *2 ]" 1
457 1 32 LEU HA 1 55 TRP HH2 . . 4.290 3.962 3.594 4.639 0.349 11 0 "[ . 1 . 2 ]" 1
458 1 89 TRP HA 1 89 TRP HD1 . . 4.660 4.238 4.020 4.396 . 0 0 "[ . 1 . 2 ]" 1
459 1 56 VAL HB 1 74 TYR QD . . 4.210 2.561 2.207 2.956 . 0 0 "[ . 1 . 2 ]" 1
460 1 72 PHE QE 1 98 TYR QB . . 5.100 3.188 2.805 3.540 . 0 0 "[ . 1 . 2 ]" 1
461 1 72 PHE HZ 1 93 THR MG . . 5.080 4.248 3.960 4.511 . 0 0 "[ . 1 . 2 ]" 1
462 1 59 VAL QG 1 70 TRP HE3 . . 3.710 2.218 1.972 3.154 . 0 0 "[ . 1 . 2 ]" 1
463 1 8 ARG HB2 1 89 TRP HZ2 . . 4.280 4.646 4.234 4.886 0.606 21 6 "[* . 1 -* . **+ ]" 1
464 1 57 LEU HB2 1 72 PHE QD . . 4.390 4.095 2.679 4.909 0.519 6 1 "[ .+ 1 . 2 ]" 1
465 1 30 PHE QE 1 32 LEU QD . . 3.650 2.286 1.989 2.681 . 0 0 "[ . 1 . 2 ]" 1
466 1 22 ILE MD 1 72 PHE QE . . 3.710 2.072 1.928 2.258 . 0 0 "[ . 1 . 2 ]" 1
467 1 39 GLN QB 1 50 PHE QE . . 4.530 2.715 2.435 3.130 . 0 0 "[ . 1 . 2 ]" 1
468 1 51 ALA MB 1 74 TYR QE . . 4.630 4.091 3.580 4.749 0.119 22 0 "[ . 1 . 2 ]" 1
469 1 36 LEU HG 1 50 PHE HZ . . 4.390 3.733 3.238 4.237 . 0 0 "[ . 1 . 2 ]" 1
470 1 50 PHE HA 1 50 PHE QE . . 4.790 4.501 4.367 4.604 . 0 0 "[ . 1 . 2 ]" 1
471 1 74 TYR QE 1 78 MET ME . . 4.610 3.599 2.351 4.375 . 0 0 "[ . 1 . 2 ]" 1
472 1 39 GLN QB 1 50 PHE HZ . . 5.040 2.667 2.371 2.998 . 0 0 "[ . 1 . 2 ]" 1
473 1 22 ILE MG 1 70 TRP HH2 . . 4.990 3.535 3.098 4.282 . 0 0 "[ . 1 . 2 ]" 1
474 1 56 VAL QG 1 74 TYR QD . . 3.610 2.061 1.954 2.159 . 0 0 "[ . 1 . 2 ]" 1
475 1 28 TRP HA 1 28 TRP HE3 . . 4.250 4.306 4.025 4.828 0.578 8 1 "[ . + 1 . 2 ]" 1
476 1 72 PHE QE 1 100 LEU HG . . 4.130 3.687 3.178 4.188 0.058 9 0 "[ . 1 . 2 ]" 1
477 1 22 ILE MG 1 70 TRP HD1 . . 5.210 5.020 4.307 5.683 0.473 17 0 "[ . 1 . 2 ]" 1
478 1 30 PHE QD 1 32 LEU QD . . 3.160 2.489 2.244 2.804 . 0 0 "[ . 1 . 2 ]" 1
479 1 72 PHE QD 1 76 ALA MB . . 4.150 3.229 2.908 3.936 . 0 0 "[ . 1 . 2 ]" 1
480 1 72 PHE HZ 1 98 TYR QE . . 5.360 4.193 3.609 4.905 . 0 0 "[ . 1 . 2 ]" 1
481 1 9 TYR QE 1 78 MET ME . . 3.750 3.970 3.198 4.286 0.536 4 1 "[ +. 1 . 2 ]" 1
482 1 37 LEU MD2 1 74 TYR QE . . 4.240 2.364 2.084 2.757 . 0 0 "[ . 1 . 2 ]" 1
483 1 69 GLU HA 1 70 TRP HE3 . . 4.280 3.275 2.532 3.826 . 0 0 "[ . 1 . 2 ]" 1
484 1 72 PHE QD 1 100 LEU HG . . 4.430 4.807 4.461 4.998 0.568 18 5 "[ * . *1 * -. + 2 ]" 1
485 1 92 THR HA 1 98 TYR QD . . 4.340 4.667 4.212 4.967 0.627 4 5 "[** +.* 1 -. 2 ]" 1
486 1 40 ALA HA 1 50 PHE QD . . 3.940 2.968 2.808 3.188 . 0 0 "[ . 1 . 2 ]" 1
487 1 9 TYR QD 1 78 MET ME . . 4.840 3.226 2.290 3.694 . 0 0 "[ . 1 . 2 ]" 1
488 1 37 LEU MD1 1 74 TYR QE . . 4.240 4.719 4.355 4.887 0.647 4 10 "[ +* * 1 * *- **** ]" 1
489 1 50 PHE QD 1 74 TYR QE . . 3.340 2.577 2.350 2.794 . 0 0 "[ . 1 . 2 ]" 1
490 1 72 PHE HZ 1 98 TYR QD . . 4.440 3.112 2.734 3.818 . 0 0 "[ . 1 . 2 ]" 1
491 1 36 LEU HG 1 50 PHE QE . . 4.320 2.274 2.065 2.572 . 0 0 "[ . 1 . 2 ]" 1
492 1 22 ILE MD 1 72 PHE QD . . 4.500 3.998 3.751 4.197 . 0 0 "[ . 1 . 2 ]" 1
493 1 30 PHE HA 1 30 PHE QD . . 4.020 3.761 3.742 3.786 . 0 0 "[ . 1 . 2 ]" 1
494 1 93 THR MG 1 98 TYR QE . . 3.640 3.072 2.175 4.074 0.434 4 0 "[ . 1 . 2 ]" 1
495 1 40 ALA MB 1 74 TYR QE . . 3.700 2.643 2.447 2.960 . 0 0 "[ . 1 . 2 ]" 1
496 1 10 LEU HA 1 89 TRP HZ2 . . 4.270 3.666 3.287 4.228 . 0 0 "[ . 1 . 2 ]" 1
497 1 30 PHE QB 1 60 GLU H . . 4.310 3.785 3.212 4.172 . 0 0 "[ . 1 . 2 ]" 1
498 1 92 THR HB 1 93 THR H . . 3.810 3.775 3.055 4.262 0.452 6 0 "[ . 1 . 2 ]" 1
499 1 76 ALA MB 1 77 VAL H . . 3.450 2.619 2.386 2.851 . 0 0 "[ . 1 . 2 ]" 1
500 1 83 GLN H 1 84 ALA H . . 4.480 4.550 4.484 4.614 0.134 13 0 "[ . 1 . 2 ]" 1
501 1 56 VAL QG 1 72 PHE H . . 4.920 4.451 4.144 4.800 . 0 0 "[ . 1 . 2 ]" 1
502 1 20 LEU H 1 20 LEU QD . . 4.630 3.856 3.475 4.016 . 0 0 "[ . 1 . 2 ]" 1
503 1 81 GLU H 1 82 PRO HD2 . . 4.890 4.953 4.811 5.349 0.459 13 0 "[ . 1 . 2 ]" 1
504 1 33 ASN QD 1 36 LEU QD . . 4.030 2.649 2.367 2.816 . 0 0 "[ . 1 . 2 ]" 1
505 1 53 GLU H 1 54 ASP H . . 3.340 2.453 2.239 2.675 . 0 0 "[ . 1 . 2 ]" 1
506 1 95 GLU HB2 1 96 GLY H . . 3.900 2.938 2.340 3.826 . 0 0 "[ . 1 . 2 ]" 1
507 1 29 ARG HG3 1 60 GLU H . . 4.990 4.478 3.314 5.668 0.678 9 4 "[ .* +1 .- 2* ]" 1
508 1 65 ARG H 1 66 THR MG . . 5.040 4.205 3.184 5.288 0.248 21 0 "[ . 1 . 2 ]" 1
509 1 72 PHE H 1 72 PHE QD . . 3.860 3.137 2.733 3.369 . 0 0 "[ . 1 . 2 ]" 1
510 1 33 ASN H 1 56 VAL HA . . 3.970 2.826 2.534 3.192 . 0 0 "[ . 1 . 2 ]" 1
511 1 75 ASN HA 1 75 ASN QD . . 4.440 2.708 1.785 3.952 . 0 0 "[ . 1 . 2 ]" 1
512 1 9 TYR H 1 9 TYR QE . . 4.530 4.664 4.336 4.991 0.461 1 0 "[ . 1 . 2 ]" 1
513 1 51 ALA MB 1 75 ASN QD . . 3.770 2.051 1.774 2.550 . 0 0 "[ . 1 . 2 ]" 1
514 1 49 PRO HA 1 50 PHE H . . 2.690 2.159 2.113 2.205 . 0 0 "[ . 1 . 2 ]" 1
515 1 78 MET H 1 78 MET HG3 . . 3.700 3.603 3.388 4.046 0.346 18 0 "[ . 1 . 2 ]" 1
516 1 18 ASP H 1 19 MET H . . 3.040 2.152 1.928 2.552 . 0 0 "[ . 1 . 2 ]" 1
517 1 55 TRP HH2 1 58 ALA H . . 3.920 4.297 4.099 4.405 0.485 3 0 "[ . 1 . 2 ]" 1
518 1 93 THR MG 1 94 GLY H . . 3.920 3.609 3.386 3.864 . 0 0 "[ . 1 . 2 ]" 1
519 1 86 GLY H 1 87 GLU H . . 3.350 2.905 2.723 3.067 . 0 0 "[ . 1 . 2 ]" 1
520 1 67 ARG H 1 67 ARG HB2 . . 3.630 2.833 2.271 3.856 0.226 19 0 "[ . 1 . 2 ]" 1
521 1 81 GLU H 1 90 ARG H . . 3.860 2.924 2.563 3.242 . 0 0 "[ . 1 . 2 ]" 1
522 1 25 LEU QD 1 26 HIS H . . 4.510 3.055 2.277 3.975 . 0 0 "[ . 1 . 2 ]" 1
523 1 32 LEU H 1 32 LEU QD . . 4.080 3.325 3.052 3.496 . 0 0 "[ . 1 . 2 ]" 1
524 1 63 ASP HB3 1 64 GLY H . . 4.290 4.369 3.879 4.505 0.215 3 0 "[ . 1 . 2 ]" 1
525 1 35 ASN H 1 35 ASN QD . . 4.070 4.008 2.501 4.350 0.280 14 0 "[ . 1 . 2 ]" 1
526 1 9 TYR HB2 1 11 LEU H . . 4.650 3.149 2.576 3.741 . 0 0 "[ . 1 . 2 ]" 1
527 1 75 ASN HB2 1 76 ALA H . . 3.940 3.332 2.863 3.705 . 0 0 "[ . 1 . 2 ]" 1
528 1 14 LEU H 1 15 GLU H . . 3.710 2.525 2.352 2.640 . 0 0 "[ . 1 . 2 ]" 1
529 1 5 THR HB 1 6 THR H . . 2.950 3.011 2.148 3.527 0.577 9 2 "[ . +- . 2 ]" 1
530 1 36 LEU H 1 36 LEU QB . . 3.230 2.222 2.180 2.259 . 0 0 "[ . 1 . 2 ]" 1
531 1 13 GLU H 1 14 LEU HG . . 4.550 3.900 3.699 4.102 . 0 0 "[ . 1 . 2 ]" 1
532 1 54 ASP QB 1 55 TRP H . . 3.210 3.012 2.641 3.322 0.112 4 0 "[ . 1 . 2 ]" 1
533 1 77 VAL H 1 91 LEU QD . . 4.330 3.533 3.316 3.685 . 0 0 "[ . 1 . 2 ]" 1
534 1 83 GLN QE 1 89 TRP HA . . 4.030 3.568 3.307 3.761 . 0 0 "[ . 1 . 2 ]" 1
535 1 37 LEU H 1 38 ASP H . . 3.480 2.419 2.332 2.491 . 0 0 "[ . 1 . 2 ]" 1
536 1 56 VAL QG 1 74 TYR H . . 4.140 3.303 3.159 3.453 . 0 0 "[ . 1 . 2 ]" 1
537 1 36 LEU HA 1 39 GLN QE . . 4.070 3.983 3.476 4.319 0.249 5 0 "[ . 1 . 2 ]" 1
538 1 89 TRP HE1 1 102 CYS H . . 5.700 3.779 3.038 4.419 . 0 0 "[ . 1 . 2 ]" 1
539 1 83 GLN H 1 89 TRP HE3 . . 4.160 4.471 4.063 4.685 0.525 15 5 "[ * . 1 * -+ 2 *]" 1
540 1 40 ALA MB 1 44 ALA H . . 4.520 4.756 4.599 4.943 0.423 21 0 "[ . 1 . 2 ]" 1
541 1 40 ALA H 1 50 PHE HZ . . 4.580 4.815 4.423 5.085 0.505 21 1 "[ . 1 . 2+ ]" 1
542 1 68 ARG H 1 68 ARG QB . . 3.530 2.410 2.270 2.641 . 0 0 "[ . 1 . 2 ]" 1
543 1 77 VAL MG1 1 78 MET H . . 4.020 3.524 3.205 4.041 0.021 17 0 "[ . 1 . 2 ]" 1
544 1 91 LEU QD 1 98 TYR H . . 5.060 4.282 4.068 4.429 . 0 0 "[ . 1 . 2 ]" 1
545 1 20 LEU HA 1 101 ARG H . . 4.460 4.578 4.242 4.962 0.502 5 1 "[ + 1 . 2 ]" 1
546 1 35 ASN H 1 36 LEU H . . 3.270 2.683 2.579 2.871 . 0 0 "[ . 1 . 2 ]" 1
547 1 69 GLU HG2 1 70 TRP H . . 4.720 3.295 2.762 4.225 . 0 0 "[ . 1 . 2 ]" 1
548 1 53 GLU HA 1 75 ASN QD . . 5.000 3.772 3.044 4.852 . 0 0 "[ . 1 . 2 ]" 1
549 1 19 MET H 1 30 PHE QE . . 4.810 4.093 3.078 5.013 0.203 13 0 "[ . 1 . 2 ]" 1
550 1 97 ALA H 1 98 TYR QE . . 4.570 4.507 3.513 5.119 0.549 13 1 "[ . 1 + . 2 ]" 1
551 1 84 ALA MB 1 86 GLY H . . 4.420 4.507 4.443 4.578 0.158 2 0 "[ . 1 . 2 ]" 1
552 1 20 LEU H 1 20 LEU HG . . 4.560 4.244 3.360 4.867 0.307 8 0 "[ . 1 . 2 ]" 1
553 1 90 ARG H 1 90 ARG HB3 . . 3.990 2.756 2.384 3.608 . 0 0 "[ . 1 . 2 ]" 1
554 1 72 PHE H 1 73 SER H . . 4.780 4.433 4.341 4.480 . 0 0 "[ . 1 . 2 ]" 1
555 1 105 ALA H 1 106 VAL H . . 3.850 2.748 1.988 3.973 0.123 16 0 "[ . 1 . 2 ]" 1
556 1 40 ALA H 1 40 ALA MB . . 2.960 2.236 2.203 2.268 . 0 0 "[ . 1 . 2 ]" 1
557 1 14 LEU MD2 1 15 GLU H . . 4.540 4.501 4.319 4.642 0.102 9 0 "[ . 1 . 2 ]" 1
558 1 28 TRP HE1 1 62 LEU MD1 . . 5.400 3.413 1.867 4.615 . 0 0 "[ . 1 . 2 ]" 1
559 1 40 ALA HA 1 43 ALA H . . 3.960 3.658 3.315 3.846 . 0 0 "[ . 1 . 2 ]" 1
560 1 52 SER HB3 1 53 GLU H . . 4.370 3.851 2.712 4.226 . 0 0 "[ . 1 . 2 ]" 1
561 1 40 ALA HA 1 50 PHE H . . 4.970 5.091 4.632 5.458 0.488 5 0 "[ . 1 . 2 ]" 1
562 1 21 GLU H 1 101 ARG QB . . 3.580 3.588 3.262 3.912 0.332 10 0 "[ . 1 . 2 ]" 1
563 1 33 ASN H 1 33 ASN HB2 . . 3.880 2.540 2.478 2.640 . 0 0 "[ . 1 . 2 ]" 1
564 1 32 LEU H 1 33 ASN H . . 4.710 4.446 4.363 4.518 . 0 0 "[ . 1 . 2 ]" 1
565 1 74 TYR QE 1 78 MET H . . 5.180 5.617 5.378 5.779 0.599 17 8 "[ *- . ** * . +* 2* ]" 1
566 1 10 LEU HA 1 89 TRP HE1 . . 4.800 3.555 3.047 4.175 . 0 0 "[ . 1 . 2 ]" 1
567 1 52 SER H 1 74 TYR QD . . 3.380 1.918 1.784 2.262 . 0 0 "[ . 1 . 2 ]" 1
568 1 59 VAL QG 1 60 GLU H . . 3.300 3.377 2.749 3.613 0.313 15 0 "[ . 1 . 2 ]" 1
569 1 52 SER HA 1 53 GLU H . . 3.030 2.222 2.114 2.315 . 0 0 "[ . 1 . 2 ]" 1
570 1 35 ASN HB2 1 36 LEU H . . 3.630 3.656 2.701 3.881 0.251 17 0 "[ . 1 . 2 ]" 1
571 1 66 THR MG 1 67 ARG H . . 3.830 3.245 2.612 4.049 0.219 20 0 "[ . 1 . 2 ]" 1
572 1 88 SER QB 1 99 GLN QE . . 4.780 2.974 2.026 3.615 . 0 0 "[ . 1 . 2 ]" 1
573 1 44 ALA H 1 45 GLU H . . 3.130 2.659 2.571 2.726 . 0 0 "[ . 1 . 2 ]" 1
574 1 78 MET H 1 78 MET HG2 . . 3.700 2.585 2.383 2.853 . 0 0 "[ . 1 . 2 ]" 1
575 1 52 SER HA 1 75 ASN QD . . 5.080 3.836 3.450 4.600 . 0 0 "[ . 1 . 2 ]" 1
576 1 21 GLU HA 1 27 ALA H . . 4.390 2.533 2.031 2.790 . 0 0 "[ . 1 . 2 ]" 1
577 1 63 ASP H 1 63 ASP HB2 . . 3.670 3.162 2.439 3.792 0.122 1 0 "[ . 1 . 2 ]" 1
578 1 79 GLU H 1 79 GLU HB3 . . 3.390 2.904 2.595 3.648 0.258 2 0 "[ . 1 . 2 ]" 1
579 1 17 ALA MB 1 19 MET H . . 3.450 3.317 2.738 3.779 0.329 17 0 "[ . 1 . 2 ]" 1
580 1 30 PHE HA 1 60 GLU H . . 4.200 3.012 2.735 3.438 . 0 0 "[ . 1 . 2 ]" 1
581 1 40 ALA H 1 42 LEU H . . 4.070 3.864 3.750 4.177 0.107 6 0 "[ . 1 . 2 ]" 1
582 1 23 ASP QB 1 24 GLY H . . 4.140 3.875 3.764 4.048 . 0 0 "[ . 1 . 2 ]" 1
583 1 22 ILE HA 1 23 ASP H . . 3.530 2.083 2.045 2.138 . 0 0 "[ . 1 . 2 ]" 1
584 1 37 LEU H 1 37 LEU HB3 . . 3.720 3.623 3.575 3.661 . 0 0 "[ . 1 . 2 ]" 1
585 1 80 ALA MB 1 81 GLU H . . 3.410 3.057 2.829 3.214 . 0 0 "[ . 1 . 2 ]" 1
586 1 22 ILE H 1 25 LEU HB3 . . 4.580 3.807 3.441 4.691 0.111 14 0 "[ . 1 . 2 ]" 1
587 1 83 GLN QB 1 85 ASP H . . 3.270 2.504 2.147 2.877 . 0 0 "[ . 1 . 2 ]" 1
588 1 46 ALA HA 1 47 ASP H . . 3.460 3.197 3.129 3.297 . 0 0 "[ . 1 . 2 ]" 1
589 1 36 LEU QB 1 37 LEU H . . 3.580 2.849 2.679 2.936 . 0 0 "[ . 1 . 2 ]" 1
590 1 33 ASN HA 1 36 LEU H . . 4.660 4.220 4.096 4.446 . 0 0 "[ . 1 . 2 ]" 1
591 1 81 GLU H 1 83 GLN QE . . 5.200 4.301 4.072 4.454 . 0 0 "[ . 1 . 2 ]" 1
592 1 71 ARG H 1 71 ARG HG3 . . 4.190 3.064 2.625 4.044 . 0 0 "[ . 1 . 2 ]" 1
593 1 28 TRP HB3 1 29 ARG H . . 5.220 3.977 3.835 4.158 . 0 0 "[ . 1 . 2 ]" 1
594 1 36 LEU QD 1 55 TRP H . . 4.720 4.081 3.926 4.277 . 0 0 "[ . 1 . 2 ]" 1
595 1 51 ALA HA 1 52 SER H . . 3.000 2.144 2.097 2.247 . 0 0 "[ . 1 . 2 ]" 1
596 1 19 MET H 1 19 MET QB . . 3.690 2.501 2.309 3.144 . 0 0 "[ . 1 . 2 ]" 1
597 1 12 ASP H 1 12 ASP HB3 . . 3.830 2.759 2.186 3.612 . 0 0 "[ . 1 . 2 ]" 1
598 1 106 VAL HA 1 107 SER H . . 2.650 2.386 2.052 3.402 0.752 20 4 "[* .- 1 * + ]" 1
599 1 83 GLN HA 1 83 GLN QE . . 3.730 2.600 2.443 2.765 . 0 0 "[ . 1 . 2 ]" 1
600 1 52 SER H 1 53 GLU HG2 . . 5.350 5.677 5.189 6.171 0.821 11 7 "[* . -1+ .* *** ]" 1
601 1 29 ARG HB2 1 30 PHE H . . 3.650 3.708 2.234 4.124 0.474 7 0 "[ . 1 . 2 ]" 1
602 1 55 TRP HZ3 1 57 LEU H . . 3.890 3.890 3.708 4.035 0.145 11 0 "[ . 1 . 2 ]" 1
603 1 40 ALA H 1 50 PHE QD . . 4.600 4.582 4.377 4.893 0.293 19 0 "[ . 1 . 2 ]" 1
604 1 46 ALA MB 1 47 ASP H . . 3.480 3.386 3.228 3.470 . 0 0 "[ . 1 . 2 ]" 1
605 1 84 ALA H 1 84 ALA MB . . 3.040 2.260 2.225 2.286 . 0 0 "[ . 1 . 2 ]" 1
606 1 30 PHE H 1 60 GLU H . . 5.360 4.897 4.659 5.282 . 0 0 "[ . 1 . 2 ]" 1
607 1 78 MET H 1 80 ALA H . . 4.420 3.913 3.738 4.056 . 0 0 "[ . 1 . 2 ]" 1
608 1 10 LEU MD2 1 11 LEU H . . 5.050 4.620 4.477 5.044 . 0 0 "[ . 1 . 2 ]" 1
609 1 59 VAL H 1 60 GLU H . . 4.360 4.353 4.189 4.505 0.145 9 0 "[ . 1 . 2 ]" 1
610 1 69 GLU HG3 1 70 TRP H . . 4.720 3.873 3.112 5.107 0.387 3 0 "[ . 1 . 2 ]" 1
611 1 76 ALA H 1 91 LEU QD . . 5.320 4.532 4.278 4.849 . 0 0 "[ . 1 . 2 ]" 1
612 1 87 GLU QB 1 88 SER H . . 4.810 2.965 2.527 3.812 . 0 0 "[ . 1 . 2 ]" 1
613 1 78 MET HA 1 80 ALA H . . 4.190 3.846 3.640 4.113 . 0 0 "[ . 1 . 2 ]" 1
614 1 14 LEU H 1 32 LEU QD . . 4.740 4.625 4.491 4.718 . 0 0 "[ . 1 . 2 ]" 1
615 1 17 ALA H 1 17 ALA MB . . 3.070 2.355 2.224 2.559 . 0 0 "[ . 1 . 2 ]" 1
616 1 11 LEU HA 1 15 GLU H . . 4.830 4.750 4.224 5.142 0.312 13 0 "[ . 1 . 2 ]" 1
617 1 93 THR H 1 98 TYR H . . 4.570 4.703 4.266 5.043 0.473 15 0 "[ . 1 . 2 ]" 1
618 1 85 ASP H 1 88 SER H . . 4.820 4.465 3.915 4.845 0.025 3 0 "[ . 1 . 2 ]" 1
619 1 39 GLN H 1 39 GLN QB . . 3.340 2.483 2.320 2.568 . 0 0 "[ . 1 . 2 ]" 1
620 1 28 TRP HE1 1 62 LEU MD2 . . 5.400 3.588 2.297 4.977 . 0 0 "[ . 1 . 2 ]" 1
621 1 7 GLN H 1 7 GLN HA . . 2.800 2.752 2.230 2.950 0.150 10 0 "[ . 1 . 2 ]" 1
622 1 25 LEU H 1 25 LEU QD . . 4.130 3.670 2.793 3.949 . 0 0 "[ . 1 . 2 ]" 1
623 1 71 ARG H 1 71 ARG HB2 . . 3.710 2.583 2.492 2.721 . 0 0 "[ . 1 . 2 ]" 1
624 1 37 LEU H 1 37 LEU HG . . 3.370 2.593 2.480 2.720 . 0 0 "[ . 1 . 2 ]" 1
625 1 76 ALA MB 1 92 THR H . . 4.460 4.626 3.919 5.011 0.551 17 2 "[ . 1 . + 2- ]" 1
626 1 33 ASN H 1 33 ASN HB3 . . 3.880 2.649 2.598 2.701 . 0 0 "[ . 1 . 2 ]" 1
627 1 89 TRP HB3 1 90 ARG H . . 4.490 2.968 2.510 3.409 . 0 0 "[ . 1 . 2 ]" 1
628 1 42 LEU H 1 42 LEU QB . . 2.960 2.112 2.044 2.163 . 0 0 "[ . 1 . 2 ]" 1
629 1 81 GLU H 1 81 GLU HB3 . . 3.260 3.291 2.588 3.649 0.389 15 0 "[ . 1 . 2 ]" 1
630 1 44 ALA MB 1 45 GLU H . . 3.150 2.656 2.509 2.858 . 0 0 "[ . 1 . 2 ]" 1
631 1 112 ASP H 1 112 ASP HB3 . . 4.180 3.106 2.422 4.150 . 0 0 "[ . 1 . 2 ]" 1
632 1 77 VAL HA 1 80 ALA H . . 4.060 3.508 3.181 3.775 . 0 0 "[ . 1 . 2 ]" 1
633 1 52 SER H 1 74 TYR HB3 . . 4.200 2.952 2.603 3.382 . 0 0 "[ . 1 . 2 ]" 1
634 1 93 THR HA 1 95 GLU H . . 4.020 4.109 3.916 4.267 0.247 13 0 "[ . 1 . 2 ]" 1
635 1 92 THR H 1 92 THR HB . . 3.430 3.232 2.612 3.644 0.214 12 0 "[ . 1 . 2 ]" 1
636 1 100 LEU H 1 100 LEU HB2 . . 4.020 2.310 2.206 2.388 . 0 0 "[ . 1 . 2 ]" 1
637 1 57 LEU HB2 1 58 ALA H . . 4.590 4.393 4.215 4.503 . 0 0 "[ . 1 . 2 ]" 1
638 1 18 ASP H 1 106 VAL HB . . 4.630 4.993 4.198 5.249 0.619 11 7 "[ ** *- 1+ .* *2 ]" 1
639 1 13 GLU H 1 13 GLU HB2 . . 3.810 2.408 2.238 2.655 . 0 0 "[ . 1 . 2 ]" 1
640 1 83 GLN QE 1 90 ARG H . . 3.670 2.967 2.512 3.514 . 0 0 "[ . 1 . 2 ]" 1
641 1 82 PRO HA 1 90 ARG H . . 4.530 4.381 4.220 4.578 0.048 4 0 "[ . 1 . 2 ]" 1
642 1 16 THR H 1 16 THR MG . . 3.460 2.954 2.513 3.356 . 0 0 "[ . 1 . 2 ]" 1
643 1 11 LEU HB2 1 12 ASP H . . 4.500 3.665 2.491 4.024 . 0 0 "[ . 1 . 2 ]" 1
644 1 77 VAL H 1 78 MET HB2 . . 4.610 4.703 4.461 5.077 0.467 6 0 "[ . 1 . 2 ]" 1
645 1 10 LEU H 1 10 LEU MD1 . . 4.530 4.208 4.124 4.264 . 0 0 "[ . 1 . 2 ]" 1
646 1 74 TYR H 1 74 TYR HB2 . . 3.700 2.473 2.360 2.602 . 0 0 "[ . 1 . 2 ]" 1
647 1 54 ASP H 1 54 ASP QB . . 2.930 2.233 2.145 2.338 . 0 0 "[ . 1 . 2 ]" 1
648 1 41 ASP HA 1 43 ALA H . . 4.450 4.350 3.914 4.550 0.100 9 0 "[ . 1 . 2 ]" 1
649 1 80 ALA HA 1 81 GLU H . . 3.060 2.093 2.047 2.147 . 0 0 "[ . 1 . 2 ]" 1
650 1 34 GLU H 1 34 GLU QG . . 3.560 2.063 1.799 2.234 . 0 0 "[ . 1 . 2 ]" 1
651 1 34 GLU HB2 1 35 ASN H . . 3.850 2.804 2.485 3.458 . 0 0 "[ . 1 . 2 ]" 1
652 1 30 PHE QD 1 31 GLU H . . 3.890 3.493 3.323 3.655 . 0 0 "[ . 1 . 2 ]" 1
653 1 61 SER H 1 68 ARG H . . 4.280 3.257 2.913 3.677 . 0 0 "[ . 1 . 2 ]" 1
654 1 95 GLU HB3 1 96 GLY H . . 4.140 3.342 2.362 4.247 0.107 17 0 "[ . 1 . 2 ]" 1
655 1 91 LEU H 1 92 THR H . . 4.720 4.177 4.070 4.470 . 0 0 "[ . 1 . 2 ]" 1
656 1 29 ARG H 1 60 GLU H . . 4.850 3.674 3.265 4.059 . 0 0 "[ . 1 . 2 ]" 1
657 1 12 ASP H 1 13 GLU H . . 3.640 2.456 2.291 2.664 . 0 0 "[ . 1 . 2 ]" 1
658 1 30 PHE HA 1 31 GLU H . . 3.250 2.299 2.165 2.422 . 0 0 "[ . 1 . 2 ]" 1
659 1 72 PHE H 1 72 PHE QE . . 5.070 4.853 4.683 5.004 . 0 0 "[ . 1 . 2 ]" 1
660 1 78 MET H 1 78 MET HB2 . . 3.470 2.408 2.245 2.498 . 0 0 "[ . 1 . 2 ]" 1
661 1 17 ALA HA 1 19 MET H . . 3.680 3.885 3.410 4.155 0.475 15 0 "[ . 1 . 2 ]" 1
662 1 57 LEU HB2 1 72 PHE H . . 4.520 4.473 3.265 5.049 0.529 9 2 "[ . +1 . - 2 ]" 1
663 1 55 TRP HZ3 1 58 ALA H . . 4.580 2.249 1.994 2.456 . 0 0 "[ . 1 . 2 ]" 1
664 1 39 GLN H 1 50 PHE QE . . 5.090 5.253 5.050 5.562 0.472 1 0 "[ . 1 . 2 ]" 1
665 1 63 ASP H 1 68 ARG H . . 4.970 3.887 2.877 5.023 0.053 20 0 "[ . 1 . 2 ]" 1
666 1 22 ILE MG 1 23 ASP H . . 4.500 3.941 3.392 4.265 . 0 0 "[ . 1 . 2 ]" 1
667 1 92 THR H 1 92 THR MG . . 3.790 2.740 1.872 3.958 0.168 9 0 "[ . 1 . 2 ]" 1
668 1 93 THR H 1 98 TYR QD . . 4.610 4.292 3.769 4.578 . 0 0 "[ . 1 . 2 ]" 1
669 1 9 TYR HB3 1 11 LEU H . . 4.650 2.510 2.020 3.067 . 0 0 "[ . 1 . 2 ]" 1
670 1 80 ALA HA 1 90 ARG H . . 4.760 4.326 3.953 4.780 0.020 21 0 "[ . 1 . 2 ]" 1
671 1 8 ARG H 1 9 TYR QE . . 4.550 4.744 3.936 5.085 0.535 11 4 "[ .* -1+ . * ]" 1
672 1 75 ASN HB3 1 76 ALA H . . 3.940 3.051 2.552 3.950 0.010 15 0 "[ . 1 . 2 ]" 1
673 1 18 ASP H 1 104 GLY H . . 5.010 4.708 4.033 5.031 0.021 5 0 "[ . 1 . 2 ]" 1
674 1 15 GLU H 1 15 GLU HG2 . . 3.700 2.747 2.255 3.645 . 0 0 "[ . 1 . 2 ]" 1
675 1 20 LEU HA 1 21 GLU H . . 3.250 2.159 2.049 2.433 . 0 0 "[ . 1 . 2 ]" 1
676 1 37 LEU HB2 1 38 ASP H . . 4.230 3.007 2.845 3.131 . 0 0 "[ . 1 . 2 ]" 1
677 1 28 TRP HE1 1 29 ARG HG3 . . 5.590 5.606 4.257 6.255 0.665 16 6 "[ * * *1 .+ -2* ]" 1
678 1 19 MET QG 1 20 LEU H . . 4.490 3.033 2.247 4.721 0.231 20 0 "[ . 1 . 2 ]" 1
679 1 40 ALA H 1 43 ALA H . . 5.020 4.695 4.513 4.837 . 0 0 "[ . 1 . 2 ]" 1
680 1 80 ALA MB 1 92 THR H . . 4.110 4.567 4.124 4.708 0.598 17 9 "[* . **1 **. +- 2**]" 1
681 1 81 GLU H 1 89 TRP HE3 . . 4.300 4.111 3.484 4.435 0.135 17 0 "[ . 1 . 2 ]" 1
682 1 44 ALA H 1 44 ALA MB . . 2.650 2.235 2.206 2.253 . 0 0 "[ . 1 . 2 ]" 1
683 1 77 VAL MG2 1 78 MET H . . 4.020 4.074 2.686 4.224 0.204 6 0 "[ . 1 . 2 ]" 1
684 1 13 GLU H 1 15 GLU H . . 4.820 4.044 3.757 4.228 . 0 0 "[ . 1 . 2 ]" 1
685 1 22 ILE H 1 101 ARG H . . 4.860 4.901 4.703 5.165 0.305 6 0 "[ . 1 . 2 ]" 1
686 1 22 ILE H 1 25 LEU HB2 . . 4.620 4.696 3.381 5.268 0.648 11 5 "[ * * - 1+ .* 2 ]" 1
687 1 59 VAL H 1 71 ARG H . . 5.490 5.094 4.845 5.348 . 0 0 "[ . 1 . 2 ]" 1
688 1 52 SER H 1 75 ASN QD . . 4.030 2.631 2.113 3.174 . 0 0 "[ . 1 . 2 ]" 1
689 1 3 HIS HB2 1 4 MET H . . 4.360 4.021 2.796 4.602 0.242 14 0 "[ . 1 . 2 ]" 1
690 1 84 ALA H 1 85 ASP H . . 3.500 2.559 2.444 2.729 . 0 0 "[ . 1 . 2 ]" 1
691 1 8 ARG H 1 8 ARG HG2 . . 3.400 3.382 2.273 3.864 0.464 8 0 "[ . 1 . 2 ]" 1
692 1 83 GLN QB 1 86 GLY H . . 4.690 3.264 2.985 3.815 . 0 0 "[ . 1 . 2 ]" 1
693 1 13 GLU HG2 1 14 LEU H . . 4.510 4.544 3.962 5.129 0.619 15 1 "[ . 1 + 2 ]" 1
694 1 13 GLU H 1 14 LEU MD1 . . 5.150 4.908 4.615 5.080 . 0 0 "[ . 1 . 2 ]" 1
695 1 59 VAL HA 1 60 GLU H . . 3.470 2.158 2.098 2.267 . 0 0 "[ . 1 . 2 ]" 1
696 1 14 LEU HA 1 16 THR H . . 4.740 3.915 3.587 4.242 . 0 0 "[ . 1 . 2 ]" 1
697 1 25 LEU H 1 26 HIS H . . 5.660 4.323 4.036 4.604 . 0 0 "[ . 1 . 2 ]" 1
698 1 77 VAL H 1 77 VAL MG1 . . 3.630 3.641 2.191 3.769 0.139 7 0 "[ . 1 . 2 ]" 1
699 1 20 LEU H 1 27 ALA MB . . 4.310 3.504 2.743 4.195 . 0 0 "[ . 1 . 2 ]" 1
700 1 70 TRP HE1 1 98 TYR QD . . 4.220 3.976 3.521 4.536 0.316 4 0 "[ . 1 . 2 ]" 1
701 1 53 GLU H 1 75 ASN QD . . 5.030 4.301 3.671 5.191 0.161 22 0 "[ . 1 . 2 ]" 1
702 1 56 VAL H 1 73 SER HA . . 4.200 3.084 2.639 3.552 . 0 0 "[ . 1 . 2 ]" 1
703 1 23 ASP HA 1 25 LEU H . . 4.970 4.380 4.144 4.570 . 0 0 "[ . 1 . 2 ]" 1
704 1 37 LEU H 1 39 GLN H . . 4.400 3.967 3.808 4.099 . 0 0 "[ . 1 . 2 ]" 1
705 1 13 GLU HB3 1 89 TRP HE1 . . 5.290 3.377 2.967 3.983 . 0 0 "[ . 1 . 2 ]" 1
706 1 65 ARG H 1 66 THR HA . . 4.520 4.436 4.225 4.815 0.295 21 0 "[ . 1 . 2 ]" 1
707 1 13 GLU H 1 14 LEU MD2 . . 5.150 4.904 4.520 5.115 . 0 0 "[ . 1 . 2 ]" 1
708 1 28 TRP H 1 29 ARG H . . 4.190 2.324 2.125 2.479 . 0 0 "[ . 1 . 2 ]" 1
709 1 35 ASN H 1 35 ASN HB2 . . 3.230 2.305 2.200 2.576 . 0 0 "[ . 1 . 2 ]" 1
710 1 99 GLN QE 1 101 ARG QB . . 4.840 2.924 2.214 3.667 . 0 0 "[ . 1 . 2 ]" 1
711 1 43 ALA H 1 44 ALA H . . 3.170 2.575 2.280 2.666 . 0 0 "[ . 1 . 2 ]" 1
712 1 30 PHE H 1 31 GLU H . . 4.530 4.355 4.275 4.445 . 0 0 "[ . 1 . 2 ]" 1
713 1 58 ALA MB 1 72 PHE H . . 4.350 4.553 4.031 4.837 0.487 11 0 "[ . 1 . 2 ]" 1
714 1 93 THR H 1 97 ALA H . . 4.780 4.686 4.540 4.873 0.093 2 0 "[ . 1 . 2 ]" 1
715 1 62 LEU MD2 1 68 ARG H . . 5.660 4.070 2.841 6.075 0.415 15 0 "[ . 1 . 2 ]" 1
716 1 87 GLU H 1 88 SER H . . 3.230 1.896 1.774 2.087 . 0 0 "[ . 1 . 2 ]" 1
717 1 91 LEU H 1 91 LEU QD . . 4.280 3.164 2.536 3.543 . 0 0 "[ . 1 . 2 ]" 1
718 1 81 GLU H 1 90 ARG HB2 . . 4.400 4.091 2.465 4.750 0.350 6 0 "[ . 1 . 2 ]" 1
719 1 10 LEU H 1 10 LEU HB3 . . 3.970 2.432 2.306 2.544 . 0 0 "[ . 1 . 2 ]" 1
720 1 85 ASP H 1 85 ASP HB2 . . 3.310 2.684 2.453 3.638 0.328 2 0 "[ . 1 . 2 ]" 1
721 1 54 ASP H 1 74 TYR H . . 4.990 4.099 3.815 4.368 . 0 0 "[ . 1 . 2 ]" 1
722 1 4 MET HB2 1 5 THR H . . 4.240 4.181 3.366 4.469 0.229 9 0 "[ . 1 . 2 ]" 1
723 1 55 TRP HZ3 1 56 VAL H . . 4.600 5.001 4.779 5.127 0.527 10 3 "[* -. + . 2 ]" 1
724 1 9 TYR H 1 9 TYR QD . . 4.190 2.617 2.349 3.118 . 0 0 "[ . 1 . 2 ]" 1
725 1 72 PHE HA 1 73 SER H . . 3.170 2.166 2.079 2.226 . 0 0 "[ . 1 . 2 ]" 1
726 1 83 GLN QE 1 84 ALA H . . 4.720 4.614 4.416 4.842 0.122 13 0 "[ . 1 . 2 ]" 1
727 1 15 GLU H 1 15 GLU HG3 . . 3.700 3.283 2.147 3.861 0.161 10 0 "[ . 1 . 2 ]" 1
728 1 77 VAL MG1 1 80 ALA H . . 4.870 4.665 4.497 5.060 0.190 17 0 "[ . 1 . 2 ]" 1
729 1 82 PRO HA 1 83 GLN H . . 3.170 2.129 2.100 2.164 . 0 0 "[ . 1 . 2 ]" 1
730 1 19 MET H 1 19 MET QG . . 4.330 3.539 1.981 4.069 . 0 0 "[ . 1 . 2 ]" 1
731 1 10 LEU MD1 1 11 LEU H . . 5.050 4.493 4.416 4.663 . 0 0 "[ . 1 . 2 ]" 1
732 1 50 PHE H 1 50 PHE HB2 . . 3.330 2.662 2.553 2.836 . 0 0 "[ . 1 . 2 ]" 1
733 1 28 TRP HE1 1 29 ARG HG2 . . 5.340 4.877 2.787 5.921 0.581 5 3 "[ + 1 -. *2 ]" 1
734 1 12 ASP HA 1 15 GLU H . . 4.260 3.805 3.280 4.280 0.020 1 0 "[ . 1 . 2 ]" 1
735 1 28 TRP H 1 61 SER QB . . 4.970 3.788 3.219 4.600 . 0 0 "[ . 1 . 2 ]" 1
736 1 22 ILE H 1 25 LEU H . . 3.890 3.272 2.848 3.684 . 0 0 "[ . 1 . 2 ]" 1
737 1 82 PRO HA 1 83 GLN QE . . 4.340 3.780 3.609 3.871 . 0 0 "[ . 1 . 2 ]" 1
738 1 63 ASP H 1 64 GLY H . . 4.010 4.136 3.992 4.399 0.389 9 0 "[ . 1 . 2 ]" 1
739 1 63 ASP H 1 66 THR HB . . 4.530 4.244 2.582 5.204 0.674 14 11 "[* -. **** +** *2 *]" 1
740 1 97 ALA H 1 98 TYR QD . . 4.640 4.488 3.780 5.004 0.364 13 0 "[ . 1 . 2 ]" 1
741 1 59 VAL H 1 71 ARG HA . . 4.180 3.683 3.252 4.087 . 0 0 "[ . 1 . 2 ]" 1
742 1 11 LEU H 1 12 ASP H . . 4.230 2.723 2.546 2.902 . 0 0 "[ . 1 . 2 ]" 1
743 1 73 SER H 1 76 ALA H . . 4.700 3.914 3.618 4.218 . 0 0 "[ . 1 . 2 ]" 1
744 1 98 TYR H 1 99 GLN H . . 4.340 4.306 4.131 4.506 0.166 16 0 "[ . 1 . 2 ]" 1
745 1 15 GLU HB2 1 17 ALA H . . 4.580 4.980 4.615 5.151 0.571 16 6 "[ .-* 1 .+ *** ]" 1
746 1 39 GLN H 1 39 GLN QG . . 3.090 2.105 1.927 2.363 . 0 0 "[ . 1 . 2 ]" 1
747 1 57 LEU QD 1 58 ALA H . . 3.170 2.452 2.243 2.807 . 0 0 "[ . 1 . 2 ]" 1
748 1 28 TRP H 1 61 SER HA . . 4.040 2.521 1.992 3.169 . 0 0 "[ . 1 . 2 ]" 1
749 1 36 LEU QD 1 54 ASP H . . 4.390 3.387 3.251 3.690 . 0 0 "[ . 1 . 2 ]" 1
750 1 56 VAL H 1 56 VAL QG . . 3.820 2.419 2.296 2.530 . 0 0 "[ . 1 . 2 ]" 1
751 1 106 VAL H 1 107 SER H . . 3.370 3.489 1.756 4.198 0.828 16 6 "[ ** . 1 * -.+ 2* ]" 1
752 1 78 MET HB2 1 80 ALA H . . 4.720 4.848 4.655 5.016 0.296 9 0 "[ . 1 . 2 ]" 1
753 1 50 PHE QD 1 51 ALA H . . 3.610 3.599 3.350 3.858 0.248 13 0 "[ . 1 . 2 ]" 1
754 1 19 MET ME 1 104 GLY H . . 4.760 4.631 2.868 5.380 0.620 11 4 "[ . -1+ .* * ]" 1
755 1 89 TRP H 1 89 TRP HB2 . . 4.050 2.709 2.580 2.804 . 0 0 "[ . 1 . 2 ]" 1
756 1 69 GLU H 1 70 TRP H . . 4.960 4.350 4.219 4.468 . 0 0 "[ . 1 . 2 ]" 1
757 1 46 ALA H 1 46 ALA MB . . 2.850 2.288 2.251 2.344 . 0 0 "[ . 1 . 2 ]" 1
758 1 52 SER H 1 52 SER HB2 . . 4.030 3.291 2.725 3.825 . 0 0 "[ . 1 . 2 ]" 1
759 1 5 THR H 1 5 THR MG . . 3.470 3.069 2.442 3.853 0.383 1 0 "[ . 1 . 2 ]" 1
760 1 93 THR H 1 96 GLY H . . 3.670 3.106 2.975 3.305 . 0 0 "[ . 1 . 2 ]" 1
761 1 56 VAL H 1 74 TYR H . . 4.680 3.973 3.674 4.385 . 0 0 "[ . 1 . 2 ]" 1
762 1 90 ARG H 1 90 ARG HB2 . . 3.990 2.612 2.260 2.917 . 0 0 "[ . 1 . 2 ]" 1
763 1 33 ASN QD 1 36 LEU QB . . 3.880 2.642 2.191 2.761 . 0 0 "[ . 1 . 2 ]" 1
764 1 35 ASN HB3 1 36 LEU H . . 3.630 2.561 2.351 3.280 . 0 0 "[ . 1 . 2 ]" 1
765 1 52 SER H 1 52 SER HB3 . . 4.030 3.038 2.614 3.879 . 0 0 "[ . 1 . 2 ]" 1
766 1 91 LEU H 1 98 TYR H . . 3.900 3.035 2.472 3.606 . 0 0 "[ . 1 . 2 ]" 1
767 1 54 ASP H 1 55 TRP H . . 4.400 4.583 4.518 4.635 0.235 9 0 "[ . 1 . 2 ]" 1
768 1 5 THR H 1 6 THR H . . 3.360 2.488 1.771 2.909 . 0 0 "[ . 1 . 2 ]" 1
769 1 88 SER QB 1 89 TRP H . . 3.820 2.860 2.570 3.518 . 0 0 "[ . 1 . 2 ]" 1
770 1 12 ASP H 1 14 LEU H . . 4.750 4.236 4.067 4.502 . 0 0 "[ . 1 . 2 ]" 1
771 1 63 ASP H 1 66 THR H . . 4.040 3.443 2.879 3.859 . 0 0 "[ . 1 . 2 ]" 1
772 1 10 LEU H 1 10 LEU MD2 . . 4.530 4.224 4.131 4.335 . 0 0 "[ . 1 . 2 ]" 1
773 1 91 LEU QD 1 92 THR H . . 4.740 3.008 2.262 3.475 . 0 0 "[ . 1 . 2 ]" 1
774 1 43 ALA H 1 50 PHE QD . . 4.810 4.267 3.991 4.609 . 0 0 "[ . 1 . 2 ]" 1
775 1 38 ASP H 1 39 GLN H . . 3.310 2.548 2.433 2.650 . 0 0 "[ . 1 . 2 ]" 1
776 1 10 LEU H 1 80 ALA MB . . 4.660 3.827 3.351 4.431 . 0 0 "[ . 1 . 2 ]" 1
777 1 77 VAL H 1 78 MET H . . 3.280 2.558 2.380 2.800 . 0 0 "[ . 1 . 2 ]" 1
778 1 36 LEU H 1 37 LEU HG . . 4.160 4.301 4.005 4.524 0.364 2 0 "[ . 1 . 2 ]" 1
779 1 79 GLU HG3 1 80 ALA H . . 4.420 3.736 3.133 5.099 0.679 2 1 "[ + . 1 . 2 ]" 1
780 1 36 LEU QD 1 39 GLN QE . . 4.310 3.811 3.558 4.020 . 0 0 "[ . 1 . 2 ]" 1
781 1 27 ALA MB 1 28 TRP H . . 3.900 2.967 2.560 3.320 . 0 0 "[ . 1 . 2 ]" 1
782 1 18 ASP H 1 104 GLY HA3 . . 3.840 3.145 2.193 4.331 0.491 11 0 "[ . 1 . 2 ]" 1
783 1 15 GLU H 1 15 GLU HB2 . . 3.120 2.369 2.238 2.495 . 0 0 "[ . 1 . 2 ]" 1
784 1 93 THR MG 1 98 TYR H . . 4.490 4.340 3.945 4.927 0.437 15 0 "[ . 1 . 2 ]" 1
785 1 30 PHE QB 1 31 GLU H . . 3.800 2.564 2.263 2.880 . 0 0 "[ . 1 . 2 ]" 1
786 1 61 SER H 1 69 GLU HA . . 4.840 3.505 3.057 3.920 . 0 0 "[ . 1 . 2 ]" 1
787 1 58 ALA H 1 59 VAL H . . 4.650 4.044 3.874 4.188 . 0 0 "[ . 1 . 2 ]" 1
788 1 60 GLU HB2 1 61 SER H . . 4.570 3.950 2.757 4.383 . 0 0 "[ . 1 . 2 ]" 1
789 1 44 ALA H 1 46 ALA H . . 4.450 3.911 3.777 4.017 . 0 0 "[ . 1 . 2 ]" 1
790 1 24 GLY H 1 25 LEU H . . 3.740 2.623 2.317 2.967 . 0 0 "[ . 1 . 2 ]" 1
791 1 86 GLY H 1 88 SER H . . 4.100 3.519 3.180 4.033 . 0 0 "[ . 1 . 2 ]" 1
792 1 89 TRP H 1 89 TRP HD1 . . 4.120 3.059 2.755 3.230 . 0 0 "[ . 1 . 2 ]" 1
793 1 55 TRP H 1 56 VAL H . . 4.520 4.639 4.607 4.660 0.140 13 0 "[ . 1 . 2 ]" 1
794 1 89 TRP HB3 1 100 LEU H . . 4.900 4.512 4.105 4.799 . 0 0 "[ . 1 . 2 ]" 1
795 1 93 THR H 1 95 GLU H . . 4.480 4.272 3.888 4.585 0.105 4 0 "[ . 1 . 2 ]" 1
796 1 74 TYR HA 1 76 ALA H . . 5.140 4.296 4.056 4.535 . 0 0 "[ . 1 . 2 ]" 1
797 1 14 LEU H 1 14 LEU MD2 . . 3.740 3.362 3.120 3.531 . 0 0 "[ . 1 . 2 ]" 1
798 1 6 THR HA 1 7 GLN H . . 2.800 2.562 2.100 3.367 0.567 1 1 "[+ . 1 . 2 ]" 1
799 1 37 LEU HB3 1 38 ASP H . . 4.230 3.878 3.775 3.995 . 0 0 "[ . 1 . 2 ]" 1
800 1 29 ARG HG2 1 30 PHE H . . 4.010 4.125 2.691 4.547 0.537 11 3 "[ . 1+ - 2 *]" 1
801 1 70 TRP H 1 70 TRP HE3 . . 4.050 2.350 2.191 2.608 . 0 0 "[ . 1 . 2 ]" 1
802 1 31 GLU H 1 32 LEU H . . 4.400 4.357 4.173 4.438 0.038 12 0 "[ . 1 . 2 ]" 1
803 1 65 ARG H 1 66 THR H . . 3.200 2.125 1.751 3.515 0.315 21 0 "[ . 1 . 2 ]" 1
804 1 28 TRP H 1 28 TRP HB3 . . 4.120 2.538 2.319 2.734 . 0 0 "[ . 1 . 2 ]" 1
805 1 50 PHE QE 1 51 ALA H . . 4.600 4.591 4.316 4.919 0.319 13 0 "[ . 1 . 2 ]" 1
806 1 28 TRP HB2 1 29 ARG H . . 5.220 4.198 4.021 4.354 . 0 0 "[ . 1 . 2 ]" 1
807 1 22 ILE HA 1 24 GLY H . . 4.700 3.986 3.602 4.737 0.037 16 0 "[ . 1 . 2 ]" 1
808 1 77 VAL H 1 77 VAL MG2 . . 3.630 2.422 2.271 2.562 . 0 0 "[ . 1 . 2 ]" 1
809 1 55 TRP HB2 1 57 LEU H . . 4.700 3.505 3.334 3.676 . 0 0 "[ . 1 . 2 ]" 1
810 1 40 ALA HA 1 44 ALA H . . 4.330 4.257 4.057 4.404 0.074 21 0 "[ . 1 . 2 ]" 1
811 1 23 ASP H 1 24 GLY H . . 3.980 2.756 2.609 3.098 . 0 0 "[ . 1 . 2 ]" 1
812 1 67 ARG HB2 1 68 ARG H . . 4.450 4.189 3.145 4.578 0.128 20 0 "[ . 1 . 2 ]" 1
813 1 56 VAL QG 1 78 MET H . . 4.590 4.806 4.561 5.031 0.441 8 0 "[ . 1 . 2 ]" 1
814 1 101 ARG H 1 102 CYS H . . 4.640 4.261 4.149 4.402 . 0 0 "[ . 1 . 2 ]" 1
815 1 80 ALA MB 1 90 ARG H . . 4.190 3.700 3.121 4.182 . 0 0 "[ . 1 . 2 ]" 1
816 1 59 VAL H 1 70 TRP HE3 . . 4.810 4.004 3.622 4.368 . 0 0 "[ . 1 . 2 ]" 1
817 1 76 ALA H 1 76 ALA MB . . 3.030 2.230 2.189 2.258 . 0 0 "[ . 1 . 2 ]" 1
818 1 18 ASP H 1 103 LEU H . . 3.940 4.190 3.704 4.451 0.511 7 1 "[ . + 1 . 2 ]" 1
819 1 57 LEU HB3 1 72 PHE H . . 4.520 3.153 2.507 3.569 . 0 0 "[ . 1 . 2 ]" 1
820 1 8 ARG H 1 8 ARG HG3 . . 3.400 3.359 2.805 4.138 0.738 5 4 "[ + *1 *- . 2 ]" 1
821 1 85 ASP HB2 1 86 GLY H . . 4.570 4.058 3.044 4.204 . 0 0 "[ . 1 . 2 ]" 1
822 1 63 ASP H 1 65 ARG H . . 5.050 5.009 4.280 5.581 0.531 21 2 "[ - . 1 . 2+ ]" 1
823 1 105 ALA HA 1 106 VAL H . . 2.660 2.727 2.163 3.162 0.502 8 1 "[ . + 1 . 2 ]" 1
824 1 46 ALA HA 1 48 GLN H . . 4.230 4.605 4.363 4.773 0.543 17 2 "[ . - 1 . + 2 ]" 1
825 1 10 LEU H 1 89 TRP HZ3 . . 4.910 4.086 3.415 4.771 . 0 0 "[ . 1 . 2 ]" 1
826 1 90 ARG H 1 91 LEU H . . 4.420 4.178 3.965 4.301 . 0 0 "[ . 1 . 2 ]" 1
827 1 31 GLU H 1 31 GLU HB3 . . 4.040 3.259 2.663 3.793 . 0 0 "[ . 1 . 2 ]" 1
828 1 62 LEU MD2 1 63 ASP H . . 4.750 4.118 3.518 5.159 0.409 3 0 "[ . 1 . 2 ]" 1
829 1 56 VAL H 1 57 LEU H . . 3.250 1.759 1.717 1.800 . 0 0 "[ . 1 . 2 ]" 1
830 1 89 TRP H 1 101 ARG QB . . 4.780 3.909 3.751 4.074 . 0 0 "[ . 1 . 2 ]" 1
831 1 8 ARG H 1 9 TYR H . . 4.120 3.212 2.697 3.703 . 0 0 "[ . 1 . 2 ]" 1
832 1 76 ALA HA 1 80 ALA H . . 4.850 4.806 4.351 5.057 0.207 19 0 "[ . 1 . 2 ]" 1
833 1 9 TYR H 1 10 LEU H . . 4.590 4.539 4.440 4.650 0.060 7 0 "[ . 1 . 2 ]" 1
834 1 17 ALA HA 1 18 ASP H . . 3.030 2.176 2.090 2.351 . 0 0 "[ . 1 . 2 ]" 1
835 1 14 LEU HB3 1 15 GLU H . . 3.920 4.265 3.642 4.344 0.424 6 0 "[ . 1 . 2 ]" 1
836 1 24 GLY H 1 99 GLN HB3 . . 5.010 3.863 3.492 4.259 . 0 0 "[ . 1 . 2 ]" 1
837 1 4 MET H 1 4 MET HG3 . . 4.410 2.832 2.232 4.703 0.293 6 0 "[ . 1 . 2 ]" 1
838 1 35 ASN H 1 35 ASN HB3 . . 3.230 2.684 2.359 3.542 0.312 12 0 "[ . 1 . 2 ]" 1
839 1 99 GLN HA 1 100 LEU H . . 3.200 2.199 2.141 2.236 . 0 0 "[ . 1 . 2 ]" 1
840 1 12 ASP HB2 1 13 GLU H . . 3.950 3.717 2.861 4.184 0.234 1 0 "[ . 1 . 2 ]" 1
841 1 30 PHE H 1 30 PHE QE . . 4.800 4.504 4.297 4.719 . 0 0 "[ . 1 . 2 ]" 1
842 1 50 PHE HA 1 51 ALA H . . 2.800 2.134 2.053 2.177 . 0 0 "[ . 1 . 2 ]" 1
843 1 79 GLU H 1 79 GLU HG2 . . 3.460 2.317 1.900 3.653 0.193 8 0 "[ . 1 . 2 ]" 1
844 1 104 GLY HA2 1 105 ALA H . . 3.170 2.559 2.152 3.529 0.359 3 0 "[ . 1 . 2 ]" 1
845 1 77 VAL H 1 80 ALA MB . . 4.660 4.677 4.384 4.988 0.328 9 0 "[ . 1 . 2 ]" 1
846 1 21 GLU HA 1 22 ILE H . . 3.220 2.278 2.184 2.363 . 0 0 "[ . 1 . 2 ]" 1
847 1 72 PHE QD 1 73 SER H . . 4.300 3.726 3.442 3.899 . 0 0 "[ . 1 . 2 ]" 1
848 1 47 ASP HB2 1 48 GLN H . . 4.220 4.505 4.369 4.561 0.341 7 0 "[ . 1 . 2 ]" 1
849 1 83 GLN H 1 89 TRP HA . . 3.790 3.097 2.862 3.434 . 0 0 "[ . 1 . 2 ]" 1
850 1 89 TRP HB2 1 100 LEU H . . 4.900 3.177 2.881 3.491 . 0 0 "[ . 1 . 2 ]" 1
851 1 43 ALA MB 1 50 PHE H . . 4.100 3.803 3.380 4.141 0.041 13 0 "[ . 1 . 2 ]" 1
852 1 60 GLU H 1 60 GLU HB2 . . 3.930 3.073 2.613 3.844 . 0 0 "[ . 1 . 2 ]" 1
853 1 21 GLU H 1 100 LEU HA . . 4.880 4.278 3.644 4.805 . 0 0 "[ . 1 . 2 ]" 1
854 1 45 GLU HA 1 47 ASP H . . 4.160 3.554 3.356 3.713 . 0 0 "[ . 1 . 2 ]" 1
855 1 55 TRP HA 1 73 SER H . . 4.690 4.348 4.091 4.541 . 0 0 "[ . 1 . 2 ]" 1
856 1 85 ASP H 1 85 ASP HB3 . . 3.460 2.413 2.207 3.625 0.165 20 0 "[ . 1 . 2 ]" 1
857 1 62 LEU HB2 1 63 ASP H . . 4.270 4.372 4.104 4.551 0.281 10 0 "[ . 1 . 2 ]" 1
858 1 37 LEU H 1 37 LEU HB2 . . 3.720 2.447 2.350 2.524 . 0 0 "[ . 1 . 2 ]" 1
859 1 20 LEU H 1 30 PHE QE . . 5.070 3.631 2.875 4.533 . 0 0 "[ . 1 . 2 ]" 1
860 1 70 TRP QB 1 71 ARG H . . 3.870 3.239 3.125 3.324 . 0 0 "[ . 1 . 2 ]" 1
861 1 74 TYR QD 1 75 ASN H . . 3.700 3.643 3.403 3.887 0.187 11 0 "[ . 1 . 2 ]" 1
862 1 90 ARG HB3 1 91 LEU H . . 4.560 4.229 3.553 4.410 . 0 0 "[ . 1 . 2 ]" 1
863 1 67 ARG HD2 1 68 ARG H . . 5.440 5.497 3.848 6.064 0.624 11 8 "[ * -** * 1+ * .* 2 ]" 1
864 1 11 LEU H 1 11 LEU HB2 . . 3.650 2.429 2.321 2.527 . 0 0 "[ . 1 . 2 ]" 1
865 1 30 PHE QD 1 32 LEU H . . 4.630 4.407 3.846 5.041 0.411 15 0 "[ . 1 . 2 ]" 1
866 1 70 TRP H 1 70 TRP HD1 . . 5.650 5.091 4.775 5.442 . 0 0 "[ . 1 . 2 ]" 1
867 1 36 LEU H 1 36 LEU QD . . 3.980 3.684 3.619 3.725 . 0 0 "[ . 1 . 2 ]" 1
868 1 51 ALA H 1 52 SER H . . 4.330 4.174 4.021 4.331 0.001 20 0 "[ . 1 . 2 ]" 1
869 1 83 GLN H 1 83 GLN QE . . 4.480 3.087 2.740 3.339 . 0 0 "[ . 1 . 2 ]" 1
870 1 66 THR HB 1 67 ARG H . . 3.900 4.199 3.803 4.462 0.562 3 3 "[ + . 1 - . 2* ]" 1
871 1 10 LEU HG 1 11 LEU H . . 4.700 3.974 3.831 4.441 . 0 0 "[ . 1 . 2 ]" 1
872 1 83 GLN HA 1 84 ALA H . . 3.160 2.479 2.304 2.675 . 0 0 "[ . 1 . 2 ]" 1
873 1 65 ARG H 1 65 ARG HB3 . . 3.920 3.723 3.320 3.837 . 0 0 "[ . 1 . 2 ]" 1
874 1 75 ASN H 1 76 ALA H . . 3.550 2.640 2.499 2.846 . 0 0 "[ . 1 . 2 ]" 1
875 1 22 ILE H 1 24 GLY H . . 4.620 3.846 3.373 4.522 . 0 0 "[ . 1 . 2 ]" 1
876 1 39 GLN QB 1 40 ALA H . . 3.620 2.779 2.645 3.025 . 0 0 "[ . 1 . 2 ]" 1
877 1 73 SER H 1 74 TYR H . . 4.940 4.572 4.536 4.611 . 0 0 "[ . 1 . 2 ]" 1
878 1 101 ARG H 1 101 ARG QB . . 3.610 2.433 2.345 2.499 . 0 0 "[ . 1 . 2 ]" 1
879 1 58 ALA HA 1 59 VAL H . . 3.270 2.134 2.059 2.179 . 0 0 "[ . 1 . 2 ]" 1
880 1 95 GLU H 1 96 GLY H . . 2.960 2.410 2.245 2.578 . 0 0 "[ . 1 . 2 ]" 1
881 1 67 ARG H 1 67 ARG HG2 . . 4.570 3.546 2.228 4.513 . 0 0 "[ . 1 . 2 ]" 1
882 1 31 GLU H 1 31 GLU HB2 . . 4.040 2.819 2.418 3.782 . 0 0 "[ . 1 . 2 ]" 1
883 1 14 LEU H 1 14 LEU HB2 . . 3.730 3.586 2.567 3.676 . 0 0 "[ . 1 . 2 ]" 1
884 1 64 GLY HA3 1 66 THR H . . 4.620 3.536 3.020 4.362 . 0 0 "[ . 1 . 2 ]" 1
885 1 100 LEU H 1 101 ARG H . . 4.890 4.310 4.245 4.434 . 0 0 "[ . 1 . 2 ]" 1
886 1 14 LEU HA 1 17 ALA H . . 4.290 3.273 2.797 3.564 . 0 0 "[ . 1 . 2 ]" 1
887 1 65 ARG HB2 1 66 THR H . . 4.240 3.914 3.206 4.523 0.283 21 0 "[ . 1 . 2 ]" 1
888 1 38 ASP HB2 1 39 GLN H . . 3.630 3.664 2.511 3.909 0.279 4 0 "[ . 1 . 2 ]" 1
889 1 31 GLU H 1 59 VAL HA . . 4.170 3.715 3.284 3.925 . 0 0 "[ . 1 . 2 ]" 1
890 1 28 TRP H 1 28 TRP HD1 . . 4.510 2.390 2.142 2.721 . 0 0 "[ . 1 . 2 ]" 1
891 1 25 LEU H 1 25 LEU HB2 . . 3.670 2.535 2.086 3.034 . 0 0 "[ . 1 . 2 ]" 1
892 1 23 ASP HA 1 99 GLN H . . 4.440 3.126 2.417 4.225 . 0 0 "[ . 1 . 2 ]" 1
893 1 40 ALA H 1 50 PHE QE . . 4.610 4.308 4.068 4.530 . 0 0 "[ . 1 . 2 ]" 1
894 1 5 THR H 1 5 THR HB . . 3.570 3.313 2.749 3.660 0.090 12 0 "[ . 1 . 2 ]" 1
895 1 89 TRP H 1 89 TRP HB3 . . 4.050 3.811 3.746 3.859 . 0 0 "[ . 1 . 2 ]" 1
896 1 41 ASP HB2 1 42 LEU H . . 3.690 3.910 3.675 4.001 0.311 1 0 "[ . 1 . 2 ]" 1
897 1 18 ASP H 1 104 GLY HA2 . . 4.230 3.867 2.097 4.734 0.504 5 1 "[ + 1 . 2 ]" 1
898 1 14 LEU HG 1 15 GLU H . . 4.370 3.133 2.769 4.115 . 0 0 "[ . 1 . 2 ]" 1
899 1 4 MET HB3 1 5 THR H . . 4.240 3.607 2.963 4.224 . 0 0 "[ . 1 . 2 ]" 1
900 1 4 MET H 1 4 MET HG2 . . 4.400 3.581 2.062 4.646 0.246 6 0 "[ . 1 . 2 ]" 1
901 1 41 ASP H 1 43 ALA H . . 3.990 4.085 3.258 4.273 0.283 21 0 "[ . 1 . 2 ]" 1
902 1 98 TYR HA 1 99 GLN H . . 3.120 2.203 2.114 2.380 . 0 0 "[ . 1 . 2 ]" 1
903 1 81 GLU H 1 91 LEU QD . . 5.040 4.228 3.778 4.789 . 0 0 "[ . 1 . 2 ]" 1
904 1 74 TYR HA 1 77 VAL H . . 4.350 3.479 3.190 3.681 . 0 0 "[ . 1 . 2 ]" 1
905 1 4 MET HG2 1 5 THR H . . 5.400 4.474 2.676 5.303 . 0 0 "[ . 1 . 2 ]" 1
906 1 47 ASP H 1 47 ASP HB2 . . 3.700 3.171 3.070 3.314 . 0 0 "[ . 1 . 2 ]" 1
907 1 70 TRP HE1 1 98 TYR QE . . 3.800 2.534 2.272 3.110 . 0 0 "[ . 1 . 2 ]" 1
908 1 97 ALA HA 1 98 TYR H . . 3.210 2.146 2.068 2.291 . 0 0 "[ . 1 . 2 ]" 1
909 1 15 GLU HB2 1 16 THR H . . 3.670 2.918 2.580 3.162 . 0 0 "[ . 1 . 2 ]" 1
910 1 51 ALA MB 1 53 GLU H . . 4.980 5.345 5.045 5.514 0.534 9 5 "[ -. +1 . **2* ]" 1
911 1 23 ASP H 1 99 GLN HB2 . . 4.510 3.804 3.657 4.037 . 0 0 "[ . 1 . 2 ]" 1
912 1 30 PHE QE 1 31 GLU H . . 5.070 5.667 5.579 5.780 0.710 18 22 [*************-***+****] 1
913 1 30 PHE H 1 59 VAL HA . . 4.650 4.952 4.733 5.211 0.561 17 3 "[- . 1 . + *2 ]" 1
914 1 67 ARG H 1 67 ARG HG3 . . 4.570 3.723 2.399 4.615 0.045 6 0 "[ . 1 . 2 ]" 1
915 1 21 GLU H 1 102 CYS HA . . 4.530 3.860 3.534 4.331 . 0 0 "[ . 1 . 2 ]" 1
916 1 75 ASN QD 1 76 ALA H . . 5.060 4.978 4.517 5.381 0.321 22 0 "[ . 1 . 2 ]" 1
917 1 13 GLU H 1 13 GLU HB3 . . 3.810 3.581 3.520 3.620 . 0 0 "[ . 1 . 2 ]" 1
918 1 59 VAL QG 1 70 TRP H . . 4.320 2.769 2.413 3.941 . 0 0 "[ . 1 . 2 ]" 1
919 1 46 ALA MB 1 48 GLN QE . . 3.910 3.398 2.197 3.894 . 0 0 "[ . 1 . 2 ]" 1
920 1 98 TYR H 1 98 TYR QE . . 4.700 4.941 4.654 5.181 0.481 2 0 "[ . 1 . 2 ]" 1
921 1 59 VAL H 1 69 GLU HA . . 4.700 4.508 4.076 4.874 0.174 6 0 "[ . 1 . 2 ]" 1
922 1 93 THR MG 1 97 ALA H . . 4.930 5.592 5.475 5.815 0.885 4 22 [***+*****-************] 1
923 1 36 LEU QD 1 52 SER H . . 4.720 4.315 4.003 4.609 . 0 0 "[ . 1 . 2 ]" 1
924 1 90 ARG HB2 1 91 LEU H . . 4.560 4.477 4.343 4.596 0.036 11 0 "[ . 1 . 2 ]" 1
925 1 103 LEU HA 1 104 GLY H . . 3.110 2.319 2.138 2.846 . 0 0 "[ . 1 . 2 ]" 1
926 1 22 ILE MD 1 23 ASP H . . 5.680 4.895 4.565 5.377 . 0 0 "[ . 1 . 2 ]" 1
927 1 83 GLN QE 1 90 ARG HA . . 4.800 4.518 4.285 4.756 . 0 0 "[ . 1 . 2 ]" 1
928 1 50 PHE H 1 51 ALA H . . 4.100 4.433 4.272 4.534 0.434 15 0 "[ . 1 . 2 ]" 1
929 1 46 ALA H 1 48 GLN H . . 3.900 3.503 3.196 3.660 . 0 0 "[ . 1 . 2 ]" 1
930 1 57 LEU H 1 58 ALA H . . 4.530 4.115 3.891 4.255 . 0 0 "[ . 1 . 2 ]" 1
931 1 78 MET H 1 79 GLU H . . 3.430 2.596 2.477 2.763 . 0 0 "[ . 1 . 2 ]" 1
932 1 57 LEU H 1 57 LEU HB3 . . 3.990 2.873 2.673 3.374 . 0 0 "[ . 1 . 2 ]" 1
933 1 44 ALA H 1 50 PHE QD . . 5.030 5.232 5.022 5.597 0.567 2 1 "[ + . 1 . 2 ]" 1
934 1 89 TRP H 1 101 ARG HA . . 4.790 3.467 3.131 3.805 . 0 0 "[ . 1 . 2 ]" 1
935 1 72 PHE H 1 72 PHE HB3 . . 4.100 3.696 3.648 3.774 . 0 0 "[ . 1 . 2 ]" 1
936 1 59 VAL H 1 59 VAL HB . . 3.830 3.430 2.611 3.750 . 0 0 "[ . 1 . 2 ]" 1
937 1 97 ALA H 1 98 TYR H . . 4.150 4.225 3.949 4.471 0.321 1 0 "[ . 1 . 2 ]" 1
938 1 20 LEU QD 1 21 GLU H . . 4.450 2.630 2.037 3.288 . 0 0 "[ . 1 . 2 ]" 1
939 1 9 TYR HA 1 11 LEU H . . 4.800 4.180 3.959 4.345 . 0 0 "[ . 1 . 2 ]" 1
940 1 39 GLN H 1 40 ALA H . . 3.310 2.470 2.367 2.542 . 0 0 "[ . 1 . 2 ]" 1
941 1 14 LEU H 1 14 LEU MD1 . . 3.740 3.253 3.058 3.504 . 0 0 "[ . 1 . 2 ]" 1
942 1 79 GLU H 1 79 GLU HG3 . . 3.460 2.977 2.159 3.530 0.070 2 0 "[ . 1 . 2 ]" 1
943 1 71 ARG HA 1 72 PHE H . . 3.160 2.076 2.023 2.118 . 0 0 "[ . 1 . 2 ]" 1
944 1 84 ALA H 1 86 GLY H . . 4.880 4.207 3.978 4.347 . 0 0 "[ . 1 . 2 ]" 1
945 1 38 ASP H 1 38 ASP HB3 . . 3.480 2.659 2.398 3.632 0.152 13 0 "[ . 1 . 2 ]" 1
946 1 101 ARG HG3 1 102 CYS H . . 4.470 3.142 2.723 3.667 . 0 0 "[ . 1 . 2 ]" 1
947 1 4 MET H 1 5 THR H . . 4.030 4.295 3.931 4.544 0.514 4 1 "[ +. 1 . 2 ]" 1
948 1 39 GLN H 1 42 LEU H . . 4.900 4.596 4.470 4.826 . 0 0 "[ . 1 . 2 ]" 1
949 1 39 GLN H 1 41 ASP H . . 4.480 4.150 3.904 4.343 . 0 0 "[ . 1 . 2 ]" 1
950 1 15 GLU H 1 16 THR H . . 3.460 2.582 2.430 2.757 . 0 0 "[ . 1 . 2 ]" 1
951 1 9 TYR QD 1 10 LEU H . . 4.660 3.607 3.071 3.903 . 0 0 "[ . 1 . 2 ]" 1
952 1 47 ASP HB3 1 48 GLN H . . 4.220 4.024 3.651 4.204 . 0 0 "[ . 1 . 2 ]" 1
953 1 29 ARG HD2 1 30 PHE H . . 4.600 3.715 2.199 5.147 0.547 16 2 "[ . 1 .+ 2- ]" 1
954 1 14 LEU HB2 1 15 GLU H . . 4.040 3.862 2.478 3.981 . 0 0 "[ . 1 . 2 ]" 1
955 1 67 ARG HB3 1 68 ARG H . . 4.450 3.982 3.293 4.424 . 0 0 "[ . 1 . 2 ]" 1
956 1 76 ALA MB 1 78 MET H . . 4.660 4.457 4.370 4.528 . 0 0 "[ . 1 . 2 ]" 1
957 1 4 MET H 1 4 MET HB2 . . 3.930 2.685 2.348 3.883 . 0 0 "[ . 1 . 2 ]" 1
958 1 91 LEU QD 1 100 LEU H . . 4.570 3.727 2.667 4.503 . 0 0 "[ . 1 . 2 ]" 1
959 1 33 ASN QD 1 56 VAL HA . . 4.190 3.247 3.015 3.428 . 0 0 "[ . 1 . 2 ]" 1
960 1 51 ALA H 1 51 ALA MB . . 3.220 2.580 2.396 2.678 . 0 0 "[ . 1 . 2 ]" 1
961 1 17 ALA H 1 18 ASP H . . 4.250 4.479 4.317 4.603 0.353 15 0 "[ . 1 . 2 ]" 1
962 1 98 TYR H 1 98 TYR QD . . 3.670 3.046 2.584 3.288 . 0 0 "[ . 1 . 2 ]" 1
963 1 44 ALA HA 1 48 GLN H . . 3.590 3.333 3.005 3.868 0.278 22 0 "[ . 1 . 2 ]" 1
964 1 85 ASP HB3 1 86 GLY H . . 4.420 3.114 2.896 4.167 . 0 0 "[ . 1 . 2 ]" 1
965 1 41 ASP H 1 41 ASP HB3 . . 3.340 2.501 2.274 2.655 . 0 0 "[ . 1 . 2 ]" 1
966 1 10 LEU HA 1 14 LEU H . . 4.690 4.090 3.914 4.317 . 0 0 "[ . 1 . 2 ]" 1
967 1 22 ILE MG 1 70 TRP HE1 . . 4.560 4.420 3.739 5.134 0.574 4 1 "[ +. 1 . 2 ]" 1
968 1 41 ASP HB3 1 42 LEU H . . 3.690 2.735 2.380 2.876 . 0 0 "[ . 1 . 2 ]" 1
969 1 16 THR H 1 17 ALA HA . . 4.640 4.699 4.455 4.947 0.307 10 0 "[ . 1 . 2 ]" 1
970 1 66 THR H 1 67 ARG H . . 4.380 4.460 3.900 4.608 0.228 8 0 "[ . 1 . 2 ]" 1
971 1 56 VAL QG 1 77 VAL H . . 3.850 3.709 3.460 3.885 0.035 9 0 "[ . 1 . 2 ]" 1
972 1 23 ASP H 1 99 GLN HB3 . . 4.650 2.218 2.038 2.623 . 0 0 "[ . 1 . 2 ]" 1
973 1 10 LEU H 1 89 TRP HZ2 . . 4.960 4.581 3.876 5.427 0.467 16 0 "[ . 1 . 2 ]" 1
974 1 31 GLU H 1 58 ALA H . . 3.890 2.763 2.502 3.096 . 0 0 "[ . 1 . 2 ]" 1
975 1 39 GLN HA 1 43 ALA H . . 4.560 3.936 3.807 4.250 . 0 0 "[ . 1 . 2 ]" 1
976 1 99 GLN QG 1 100 LEU H . . 4.080 3.348 3.143 3.502 . 0 0 "[ . 1 . 2 ]" 1
977 1 62 LEU HA 1 63 ASP H . . 3.290 2.130 2.052 2.222 . 0 0 "[ . 1 . 2 ]" 1
978 1 44 ALA HA 1 47 ASP H . . 3.690 3.576 3.338 3.765 0.075 15 0 "[ . 1 . 2 ]" 1
979 1 3 HIS HB3 1 4 MET H . . 4.360 3.693 2.550 4.464 0.104 8 0 "[ . 1 . 2 ]" 1
980 1 34 GLU HB3 1 35 ASN H . . 3.850 3.865 3.589 4.309 0.459 13 0 "[ . 1 . 2 ]" 1
981 1 41 ASP H 1 42 LEU H . . 3.300 2.434 2.071 2.538 . 0 0 "[ . 1 . 2 ]" 1
982 1 47 ASP H 1 47 ASP HB3 . . 3.700 3.738 3.625 3.818 0.118 19 0 "[ . 1 . 2 ]" 1
983 1 42 LEU H 1 45 GLU H . . 4.800 4.760 4.669 4.884 0.084 6 0 "[ . 1 . 2 ]" 1
984 1 52 SER H 1 53 GLU H . . 4.300 4.301 4.028 4.403 0.103 19 0 "[ . 1 . 2 ]" 1
985 1 74 TYR H 1 75 ASN H . . 3.870 2.641 2.536 2.765 . 0 0 "[ . 1 . 2 ]" 1
986 1 92 THR H 1 97 ALA HA . . 4.870 4.671 4.396 4.891 0.021 6 0 "[ . 1 . 2 ]" 1
987 1 93 THR H 1 93 THR MG . . 3.580 2.801 2.354 3.190 . 0 0 "[ . 1 . 2 ]" 1
988 1 66 THR H 1 66 THR HB . . 3.270 2.565 2.115 3.204 . 0 0 "[ . 1 . 2 ]" 1
989 1 12 ASP HB3 1 13 GLU H . . 3.950 3.149 2.689 4.357 0.407 5 0 "[ . 1 . 2 ]" 1
990 1 31 GLU HA 1 32 LEU H . . 3.290 2.177 2.090 2.298 . 0 0 "[ . 1 . 2 ]" 1
991 1 30 PHE H 1 30 PHE QD . . 3.750 3.077 2.779 3.431 . 0 0 "[ . 1 . 2 ]" 1
992 1 49 PRO HB3 1 50 PHE H . . 3.510 3.727 3.581 3.846 0.336 17 0 "[ . 1 . 2 ]" 1
993 1 19 MET H 1 103 LEU H . . 3.620 3.490 3.233 3.884 0.264 6 0 "[ . 1 . 2 ]" 1
994 1 92 THR HA 1 98 TYR H . . 3.930 3.741 3.295 4.062 0.132 2 0 "[ . 1 . 2 ]" 1
995 1 87 GLU H 1 88 SER HA . . 5.300 4.618 4.485 4.822 . 0 0 "[ . 1 . 2 ]" 1
996 1 64 GLY H 1 65 ARG HA . . 4.980 5.112 4.700 5.277 0.297 13 0 "[ . 1 . 2 ]" 1
997 1 105 ALA H 1 105 ALA HA . . 2.880 2.791 2.242 2.936 0.056 8 0 "[ . 1 . 2 ]" 1
998 1 84 ALA HA 1 86 GLY H . . 3.880 3.687 3.527 4.017 0.137 2 0 "[ . 1 . 2 ]" 1
999 1 83 GLN H 1 90 ARG H . . 4.360 4.388 4.098 4.761 0.401 14 0 "[ . 1 . 2 ]" 1
1000 1 111 GLU H 1 112 ASP H . . 3.930 2.821 1.754 4.456 0.526 8 1 "[ . + 1 . 2 ]" 1
1001 1 72 PHE H 1 72 PHE HB2 . . 4.100 2.525 2.440 2.633 . 0 0 "[ . 1 . 2 ]" 1
1002 1 60 GLU H 1 60 GLU HB3 . . 3.930 2.823 2.541 3.730 . 0 0 "[ . 1 . 2 ]" 1
1003 1 108 ALA MB 1 109 SER H . . 4.010 3.021 1.826 3.681 . 0 0 "[ . 1 . 2 ]" 1
1004 1 96 GLY H 1 98 TYR QD . . 4.910 4.612 4.013 5.344 0.434 17 0 "[ . 1 . 2 ]" 1
1005 1 60 GLU HA 1 70 TRP H . . 4.720 3.713 3.393 4.079 . 0 0 "[ . 1 . 2 ]" 1
1006 1 80 ALA H 1 91 LEU QD . . 4.550 3.706 3.430 3.954 . 0 0 "[ . 1 . 2 ]" 1
1007 1 86 GLY H 1 87 GLU HA . . 4.850 5.218 5.065 5.332 0.482 16 0 "[ . 1 . 2 ]" 1
1008 1 36 LEU HA 1 40 ALA H . . 4.580 4.284 4.067 4.427 . 0 0 "[ . 1 . 2 ]" 1
1009 1 93 THR HB 1 96 GLY H . . 4.670 3.720 3.275 4.211 . 0 0 "[ . 1 . 2 ]" 1
1010 1 33 ASN HA 1 35 ASN H . . 4.130 3.664 3.472 4.060 . 0 0 "[ . 1 . 2 ]" 1
1011 1 103 LEU H 1 103 LEU HG . . 3.340 2.885 2.450 3.192 . 0 0 "[ . 1 . 2 ]" 1
1012 1 11 LEU H 1 11 LEU HB3 . . 3.600 2.661 2.387 3.590 . 0 0 "[ . 1 . 2 ]" 1
1013 1 47 ASP HA 1 48 GLN H . . 3.150 2.979 2.786 3.265 0.115 22 0 "[ . 1 . 2 ]" 1
1014 1 98 TYR QD 1 99 GLN H . . 4.260 4.146 3.748 4.525 0.265 3 0 "[ . 1 . 2 ]" 1
1015 1 29 ARG HG3 1 30 PHE H . . 4.010 3.086 2.541 3.512 . 0 0 "[ . 1 . 2 ]" 1
1016 1 74 TYR H 1 74 TYR HB3 . . 3.780 2.538 2.467 2.604 . 0 0 "[ . 1 . 2 ]" 1
1017 1 14 LEU H 1 16 THR H . . 4.800 4.120 3.865 4.497 . 0 0 "[ . 1 . 2 ]" 1
1018 1 57 LEU H 1 57 LEU HB2 . . 3.990 2.978 2.507 3.392 . 0 0 "[ . 1 . 2 ]" 1
1019 1 10 LEU H 1 89 TRP HH2 . . 4.460 4.092 3.389 4.949 0.489 16 0 "[ . 1 . 2 ]" 1
1020 1 73 SER H 1 76 ALA MB . . 3.740 2.642 2.397 2.897 . 0 0 "[ . 1 . 2 ]" 1
1021 1 15 GLU H 1 16 THR MG . . 4.390 4.561 4.166 4.894 0.504 21 1 "[ . 1 . 2+ ]" 1
1022 1 4 MET H 1 4 MET HB3 . . 3.930 3.549 2.713 3.790 . 0 0 "[ . 1 . 2 ]" 1
1023 1 82 PRO QB 1 83 GLN H . . 4.060 3.420 3.215 3.575 . 0 0 "[ . 1 . 2 ]" 1
1024 1 57 LEU HA 1 59 VAL H . . 5.190 5.403 5.174 5.577 0.387 21 0 "[ . 1 . 2 ]" 1
1025 1 19 MET H 1 104 GLY HA2 . . 5.070 4.387 3.270 5.161 0.091 16 0 "[ . 1 . 2 ]" 1
1026 1 9 TYR HB2 1 10 LEU H . . 4.620 3.673 3.324 4.052 . 0 0 "[ . 1 . 2 ]" 1
1027 1 23 ASP H 1 100 LEU HA . . 4.730 4.038 3.770 4.286 . 0 0 "[ . 1 . 2 ]" 1
1028 1 14 LEU H 1 14 LEU HG . . 3.450 1.945 1.877 2.104 . 0 0 "[ . 1 . 2 ]" 1
1029 1 33 ASN QD 1 55 TRP HE1 . . 3.740 2.922 2.799 3.245 . 0 0 "[ . 1 . 2 ]" 1
1030 1 57 LEU H 1 72 PHE H . . 4.200 3.170 2.968 3.456 . 0 0 "[ . 1 . 2 ]" 1
1031 1 15 GLU HA 1 17 ALA H . . 4.450 4.082 3.626 4.676 0.226 18 0 "[ . 1 . 2 ]" 1
1032 1 38 ASP HB3 1 39 GLN H . . 3.630 2.643 2.375 3.641 0.011 17 0 "[ . 1 . 2 ]" 1
1033 1 22 ILE HB 1 23 ASP H . . 4.900 4.446 4.330 4.588 . 0 0 "[ . 1 . 2 ]" 1
1034 1 9 TYR H 1 9 TYR HB2 . . 4.020 2.312 2.153 2.506 . 0 0 "[ . 1 . 2 ]" 1
1035 1 56 VAL H 1 72 PHE H . . 4.820 4.026 3.788 4.397 . 0 0 "[ . 1 . 2 ]" 1
1036 1 43 ALA H 1 43 ALA MB . . 2.800 2.236 2.218 2.289 . 0 0 "[ . 1 . 2 ]" 1
1037 1 99 GLN HB3 1 100 LEU H . . 4.440 4.397 4.236 4.495 0.055 15 0 "[ . 1 . 2 ]" 1
1038 1 34 GLU H 1 36 LEU H . . 4.460 4.156 4.031 4.288 . 0 0 "[ . 1 . 2 ]" 1
1039 1 50 PHE H 1 50 PHE HB3 . . 3.330 2.668 2.585 2.728 . 0 0 "[ . 1 . 2 ]" 1
1040 1 20 LEU QB 1 21 GLU H . . 4.100 3.460 2.352 3.836 . 0 0 "[ . 1 . 2 ]" 1
1041 1 13 GLU HB2 1 89 TRP HE1 . . 5.290 3.433 2.716 4.092 . 0 0 "[ . 1 . 2 ]" 1
1042 1 34 GLU QG 1 35 ASN H . . 4.380 3.948 3.525 4.139 . 0 0 "[ . 1 . 2 ]" 1
1043 1 14 LEU MD1 1 15 GLU H . . 4.540 2.571 2.345 4.290 . 0 0 "[ . 1 . 2 ]" 1
1044 1 71 ARG H 1 72 PHE H . . 4.020 4.292 4.194 4.414 0.394 13 0 "[ . 1 . 2 ]" 1
1045 1 52 SER H 1 53 GLU HG3 . . 5.350 5.073 4.518 5.382 0.032 2 0 "[ . 1 . 2 ]" 1
1046 1 40 ALA H 1 41 ASP H . . 3.300 2.588 2.479 2.708 . 0 0 "[ . 1 . 2 ]" 1
1047 1 41 ASP H 1 42 LEU QB . . 4.160 4.024 3.530 4.154 . 0 0 "[ . 1 . 2 ]" 1
1048 1 35 ASN HA 1 37 LEU H . . 4.680 4.308 4.162 4.497 . 0 0 "[ . 1 . 2 ]" 1
1049 1 100 LEU HA 1 101 ARG H . . 3.240 2.132 2.059 2.195 . 0 0 "[ . 1 . 2 ]" 1
1050 1 75 ASN H 1 76 ALA MB . . 4.180 4.312 4.178 4.480 0.300 2 0 "[ . 1 . 2 ]" 1
1051 1 42 LEU HA 1 44 ALA H . . 4.530 4.540 4.435 4.700 0.170 3 0 "[ . 1 . 2 ]" 1
1052 1 52 SER H 1 74 TYR HB2 . . 4.410 4.530 4.234 4.934 0.524 20 1 "[ . 1 . + ]" 1
1053 1 70 TRP H 1 71 ARG H . . 5.150 4.327 4.247 4.403 . 0 0 "[ . 1 . 2 ]" 1
1054 1 79 GLU H 1 79 GLU HB2 . . 3.120 3.399 2.385 3.637 0.517 17 4 "[ .* 1 . + * -]" 1
1055 1 80 ALA HA 1 92 THR H . . 4.500 3.828 3.423 4.377 . 0 0 "[ . 1 . 2 ]" 1
1056 1 63 ASP HA 1 64 GLY H . . 3.200 2.146 2.107 2.215 . 0 0 "[ . 1 . 2 ]" 1
1057 1 13 GLU H 1 14 LEU H . . 3.440 2.619 2.446 2.818 . 0 0 "[ . 1 . 2 ]" 1
1058 1 27 ALA MB 1 60 GLU H . . 4.150 3.024 2.531 3.709 . 0 0 "[ . 1 . 2 ]" 1
1059 1 15 GLU HG3 1 16 THR H . . 4.770 4.940 4.338 5.335 0.565 7 4 "[ . + 1 *. * 2- ]" 1
1060 1 13 GLU H 1 13 GLU HG3 . . 3.680 3.709 2.495 4.050 0.370 5 0 "[ . 1 . 2 ]" 1
1061 1 10 LEU H 1 10 LEU HG . . 4.610 4.456 4.386 4.511 . 0 0 "[ . 1 . 2 ]" 1
1062 1 90 ARG HA 1 91 LEU H . . 3.260 2.122 2.022 2.175 . 0 0 "[ . 1 . 2 ]" 1
1063 1 57 LEU HB3 1 58 ALA H . . 4.590 4.126 3.561 4.438 . 0 0 "[ . 1 . 2 ]" 1
1064 1 85 ASP H 1 86 GLY H . . 3.210 2.483 2.326 2.614 . 0 0 "[ . 1 . 2 ]" 1
1065 1 101 ARG HG2 1 102 CYS H . . 4.470 3.525 2.909 3.999 . 0 0 "[ . 1 . 2 ]" 1
1066 1 92 THR HA 1 97 ALA H . . 4.370 4.816 4.394 4.981 0.611 3 9 "[ -+ * * * * **2 *]" 1
1067 1 18 ASP HA 1 105 ALA H . . 5.270 5.527 4.580 6.039 0.769 11 7 "[* * . -1+ * * *]" 1
1068 1 102 CYS HA 1 103 LEU H . . 3.140 2.111 2.057 2.190 . 0 0 "[ . 1 . 2 ]" 1
1069 1 34 GLU HA 1 36 LEU H . . 4.370 4.283 4.100 4.522 0.152 15 0 "[ . 1 . 2 ]" 1
1070 1 60 GLU QG 1 61 SER H . . 4.360 3.127 2.418 4.279 . 0 0 "[ . 1 . 2 ]" 1
1071 1 22 ILE H 1 22 ILE MG . . 3.820 2.760 2.211 3.795 . 0 0 "[ . 1 . 2 ]" 1
1072 1 74 TYR HA 1 78 MET H . . 4.930 4.394 4.204 4.553 . 0 0 "[ . 1 . 2 ]" 1
1073 1 88 SER HA 1 89 TRP H . . 3.390 2.192 2.120 2.274 . 0 0 "[ . 1 . 2 ]" 1
1074 1 61 SER H 1 70 TRP HZ3 . . 4.670 3.059 1.814 4.028 . 0 0 "[ . 1 . 2 ]" 1
1075 1 15 GLU H 1 17 ALA H . . 4.490 3.998 3.793 4.209 . 0 0 "[ . 1 . 2 ]" 1
1076 1 57 LEU H 1 71 ARG HA . . 5.060 4.484 4.225 4.761 . 0 0 "[ . 1 . 2 ]" 1
1077 1 56 VAL H 1 56 VAL HB . . 4.200 3.131 3.063 3.219 . 0 0 "[ . 1 . 2 ]" 1
1078 1 73 SER H 1 93 THR MG . . 4.740 4.489 3.669 5.135 0.395 10 0 "[ . 1 . 2 ]" 1
1079 1 15 GLU H 1 32 LEU QD . . 4.000 3.966 3.628 4.252 0.252 14 0 "[ . 1 . 2 ]" 1
1080 1 89 TRP HE3 1 90 ARG H . . 4.060 3.827 3.199 4.138 0.078 18 0 "[ . 1 . 2 ]" 1
1081 1 46 ALA MB 1 48 GLN H . . 3.380 3.151 2.854 3.409 0.029 17 0 "[ . 1 . 2 ]" 1
1082 1 79 GLU H 1 80 ALA H . . 3.160 2.525 2.361 2.629 . 0 0 "[ . 1 . 2 ]" 1
1083 1 22 ILE H 1 22 ILE HB . . 3.980 3.032 2.563 3.361 . 0 0 "[ . 1 . 2 ]" 1
1084 1 59 VAL H 1 70 TRP QB . . 4.620 3.410 3.174 3.580 . 0 0 "[ . 1 . 2 ]" 1
1085 1 10 LEU H 1 11 LEU H . . 3.990 2.603 2.438 2.744 . 0 0 "[ . 1 . 2 ]" 1
1086 1 10 LEU HG 1 14 LEU H . . 4.420 4.432 3.993 4.761 0.341 10 0 "[ . 1 . 2 ]" 1
1087 1 58 ALA HA 1 72 PHE H . . 4.150 3.691 3.366 3.985 . 0 0 "[ . 1 . 2 ]" 1
1088 1 83 GLN H 1 85 ASP H . . 4.870 4.652 4.481 4.883 0.013 18 0 "[ . 1 . 2 ]" 1
1089 1 93 THR H 1 98 TYR QE . . 4.470 4.622 3.690 4.993 0.523 2 1 "[ + . 1 . 2 ]" 1
1090 1 67 ARG H 1 67 ARG HB3 . . 3.630 3.261 2.491 3.696 0.066 10 0 "[ . 1 . 2 ]" 1
1091 1 101 ARG QB 1 102 CYS H . . 4.430 3.783 3.677 3.924 . 0 0 "[ . 1 . 2 ]" 1
1092 1 6 THR MG 1 8 ARG H . . 5.040 4.312 2.350 5.552 0.512 1 1 "[+ . 1 . 2 ]" 1
1093 1 80 ALA H 1 80 ALA MB . . 2.880 2.225 2.144 2.259 . 0 0 "[ . 1 . 2 ]" 1
1094 1 63 ASP H 1 63 ASP HB3 . . 3.660 2.769 2.460 3.655 . 0 0 "[ . 1 . 2 ]" 1
1095 1 62 LEU MD1 1 63 ASP H . . 4.750 5.086 4.547 5.367 0.617 17 9 "[ *** *1- * . + 2**]" 1
1096 1 68 ARG HA 1 69 GLU H . . 2.950 2.149 2.079 2.219 . 0 0 "[ . 1 . 2 ]" 1
1097 1 93 THR H 1 94 GLY H . . 4.430 4.412 4.373 4.487 0.057 1 0 "[ . 1 . 2 ]" 1
1098 1 74 TYR QD 1 78 MET H . . 5.280 4.956 4.785 5.087 . 0 0 "[ . 1 . 2 ]" 1
1099 1 27 ALA H 1 28 TRP H . . 5.200 4.526 4.389 4.627 . 0 0 "[ . 1 . 2 ]" 1
1100 1 74 TYR H 1 74 TYR QD . . 4.310 4.175 4.139 4.206 . 0 0 "[ . 1 . 2 ]" 1
1101 1 79 GLU H 1 80 ALA MB . . 4.040 4.111 3.939 4.217 0.177 10 0 "[ . 1 . 2 ]" 1
1102 1 68 ARG H 1 69 GLU H . . 4.640 4.295 4.107 4.406 . 0 0 "[ . 1 . 2 ]" 1
1103 1 94 GLY H 1 95 GLU H . . 3.440 2.477 2.395 2.534 . 0 0 "[ . 1 . 2 ]" 1
1104 1 17 ALA MB 1 18 ASP H . . 3.400 2.878 2.371 3.447 0.047 17 0 "[ . 1 . 2 ]" 1
1105 1 51 ALA MB 1 52 SER H . . 3.190 3.127 2.727 3.281 0.091 4 0 "[ . 1 . 2 ]" 1
1106 1 41 ASP H 1 41 ASP HB2 . . 3.340 2.568 2.427 2.781 . 0 0 "[ . 1 . 2 ]" 1
1107 1 11 LEU HA 1 14 LEU H . . 4.180 3.705 3.403 3.920 . 0 0 "[ . 1 . 2 ]" 1
1108 1 16 THR H 1 16 THR HB . . 3.850 3.663 3.540 3.745 . 0 0 "[ . 1 . 2 ]" 1
1109 1 13 GLU H 1 13 GLU HG2 . . 3.890 2.532 1.964 3.713 . 0 0 "[ . 1 . 2 ]" 1
1110 1 34 GLU H 1 34 GLU HB2 . . 3.570 2.562 2.401 3.456 . 0 0 "[ . 1 . 2 ]" 1
1111 1 22 ILE MD 1 70 TRP HE1 . . 5.340 4.292 3.852 5.044 . 0 0 "[ . 1 . 2 ]" 1
1112 1 80 ALA H 1 91 LEU HA . . 4.870 5.121 4.621 5.449 0.579 14 5 "[ *.* 1 +. * 2 -]" 1
1113 1 34 GLU H 1 34 GLU HB3 . . 3.570 3.562 3.204 3.610 0.040 7 0 "[ . 1 . 2 ]" 1
1114 1 71 ARG HB3 1 72 PHE H . . 3.970 3.352 3.072 3.607 . 0 0 "[ . 1 . 2 ]" 1
1115 1 40 ALA MB 1 41 ASP H . . 3.300 2.498 2.338 3.087 . 0 0 "[ . 1 . 2 ]" 1
1116 1 36 LEU H 1 38 ASP H . . 4.520 3.962 3.827 4.148 . 0 0 "[ . 1 . 2 ]" 1
1117 1 65 ARG HB3 1 66 THR H . . 4.240 4.317 4.024 4.539 0.299 5 0 "[ . 1 . 2 ]" 1
1118 1 93 THR MG 1 96 GLY H . . 4.380 3.953 3.702 4.395 0.015 5 0 "[ . 1 . 2 ]" 1
1119 1 92 THR H 1 93 THR H . . 4.340 4.324 4.048 4.516 0.176 11 0 "[ . 1 . 2 ]" 1
1120 1 5 THR HA 1 7 GLN H . . 4.360 4.618 3.215 5.045 0.685 21 8 "[ * . - * * *. * *+ ]" 1
1121 1 29 ARG HA 1 30 PHE H . . 2.980 2.225 2.061 2.502 . 0 0 "[ . 1 . 2 ]" 1
1122 1 77 VAL HA 1 79 GLU H . . 4.670 4.299 3.896 4.654 . 0 0 "[ . 1 . 2 ]" 1
1123 1 98 TYR QB 1 99 GLN H . . 3.840 3.128 2.459 3.411 . 0 0 "[ . 1 . 2 ]" 1
1124 1 57 LEU HA 1 58 ALA H . . 3.440 2.121 2.068 2.189 . 0 0 "[ . 1 . 2 ]" 1
1125 1 93 THR H 1 97 ALA HA . . 3.810 3.243 2.880 3.527 . 0 0 "[ . 1 . 2 ]" 1
1126 1 81 GLU H 1 81 GLU HG3 . . 3.990 3.084 2.179 4.371 0.381 19 0 "[ . 1 . 2 ]" 1
1127 1 89 TRP H 1 91 LEU QD . . 5.300 5.199 4.283 5.774 0.474 3 0 "[ . 1 . 2 ]" 1
1128 1 96 GLY H 1 98 TYR QE . . 4.180 3.393 2.716 4.334 0.154 5 0 "[ . 1 . 2 ]" 1
1129 1 79 GLU HB3 1 80 ALA H . . 4.180 4.393 4.108 4.559 0.379 13 0 "[ . 1 . 2 ]" 1
1130 1 16 THR MG 1 17 ALA H . . 4.290 4.380 4.201 4.462 0.172 21 0 "[ . 1 . 2 ]" 1
1131 1 70 TRP HE1 1 72 PHE HZ . . 5.610 5.636 5.050 6.016 0.406 14 0 "[ . 1 . 2 ]" 1
1132 1 60 GLU HA 1 68 ARG H . . 5.380 4.575 4.108 4.912 . 0 0 "[ . 1 . 2 ]" 1
1133 1 70 TRP HA 1 71 ARG H . . 3.040 2.158 2.086 2.189 . 0 0 "[ . 1 . 2 ]" 1
1134 1 77 VAL MG2 1 80 ALA H . . 4.870 5.200 4.994 5.373 0.503 9 1 "[ . +1 . 2 ]" 1
1135 1 66 THR HA 1 67 ARG H . . 3.050 2.242 2.095 2.537 . 0 0 "[ . 1 . 2 ]" 1
1136 1 33 ASN HA 1 34 GLU H . . 3.130 2.189 2.098 2.255 . 0 0 "[ . 1 . 2 ]" 1
1137 1 56 VAL H 1 73 SER H . . 5.320 4.837 4.702 4.989 . 0 0 "[ . 1 . 2 ]" 1
1138 1 4 MET HA 1 5 THR H . . 2.870 2.124 2.038 2.271 . 0 0 "[ . 1 . 2 ]" 1
1139 1 50 PHE H 1 51 ALA MB . . 4.800 4.873 4.665 5.174 0.374 15 0 "[ . 1 . 2 ]" 1
1140 1 34 GLU HB2 1 36 LEU H . . 4.880 5.191 4.911 5.432 0.552 13 1 "[ . 1 + . 2 ]" 1
1141 1 49 PRO HB2 1 50 PHE H . . 3.580 3.868 3.534 3.964 0.384 9 0 "[ . 1 . 2 ]" 1
1142 1 93 THR HA 1 94 GLY H . . 3.370 2.618 2.545 2.690 . 0 0 "[ . 1 . 2 ]" 1
1143 1 22 ILE H 1 23 ASP H . . 4.950 3.958 3.660 4.155 . 0 0 "[ . 1 . 2 ]" 1
1144 1 76 ALA HA 1 79 GLU H . . 3.900 3.452 3.103 3.653 . 0 0 "[ . 1 . 2 ]" 1
1145 1 39 GLN QB 1 41 ASP H . . 4.830 4.830 4.485 4.964 0.134 8 0 "[ . 1 . 2 ]" 1
1146 1 22 ILE HA 1 101 ARG H . . 4.310 3.674 3.205 4.047 . 0 0 "[ . 1 . 2 ]" 1
1147 1 59 VAL H 1 72 PHE QE . . 5.520 4.568 4.081 4.993 . 0 0 "[ . 1 . 2 ]" 1
1148 1 75 ASN H 1 77 VAL H . . 4.680 4.127 3.862 4.344 . 0 0 "[ . 1 . 2 ]" 1
1149 1 19 MET H 1 104 GLY HA3 . . 4.470 3.682 2.717 5.030 0.560 8 1 "[ . + 1 . 2 ]" 1
1150 1 96 GLY H 1 97 ALA H . . 3.800 4.016 3.724 4.340 0.540 1 4 "[+ *.- 1 * . 2 ]" 1
1151 1 14 LEU H 1 14 LEU HB3 . . 3.550 2.926 2.796 3.591 0.041 9 0 "[ . 1 . 2 ]" 1
1152 1 20 LEU H 1 30 PHE QD . . 5.310 3.378 2.664 4.008 . 0 0 "[ . 1 . 2 ]" 1
1153 1 21 GLU H 1 101 ARG H . . 3.850 2.908 2.489 3.190 . 0 0 "[ . 1 . 2 ]" 1
1154 1 55 TRP H 1 73 SER HA . . 4.550 4.331 4.051 4.550 0.000 6 0 "[ . 1 . 2 ]" 1
1155 1 9 TYR H 1 9 TYR HB3 . . 4.020 3.561 3.477 3.640 . 0 0 "[ . 1 . 2 ]" 1
1156 1 42 LEU QB 1 43 ALA H . . 3.470 2.386 2.262 2.788 . 0 0 "[ . 1 . 2 ]" 1
1157 1 112 ASP H 1 113 GLU H . . 4.570 3.444 2.078 4.537 . 0 0 "[ . 1 . 2 ]" 1
1158 1 25 LEU H 1 25 LEU HB3 . . 3.550 2.834 2.503 3.707 0.157 3 0 "[ . 1 . 2 ]" 1
1159 1 79 GLU HG2 1 80 ALA H . . 4.420 3.950 3.419 5.165 0.745 1 3 "[+ . -*1 . 2 ]" 1
1160 1 22 ILE MG 1 99 GLN H . . 4.720 4.614 2.983 5.283 0.563 21 4 "[ - . 1 *. * 2+ ]" 1
1161 1 39 GLN HA 1 42 LEU H . . 3.910 3.303 3.087 3.528 . 0 0 "[ . 1 . 2 ]" 1
1162 1 82 PRO HA 1 89 TRP HE1 . . 5.760 5.950 5.511 6.321 0.561 8 3 "[ * . + 1 . - 2 ]" 1
1163 1 52 SER H 1 74 TYR QE . . 3.410 3.565 3.020 3.821 0.411 5 0 "[ . 1 . 2 ]" 1
1164 1 52 SER HB2 1 53 GLU H . . 4.370 3.882 2.790 4.205 . 0 0 "[ . 1 . 2 ]" 1
1165 1 28 TRP H 1 28 TRP HB2 . . 4.020 3.656 3.585 3.736 . 0 0 "[ . 1 . 2 ]" 1
1166 1 9 TYR HB3 1 10 LEU H . . 4.620 2.433 2.016 2.924 . 0 0 "[ . 1 . 2 ]" 1
1167 1 34 GLU H 1 35 ASN H . . 3.300 2.526 2.411 2.665 . 0 0 "[ . 1 . 2 ]" 1
1168 1 78 MET HB2 1 79 GLU H . . 3.850 2.783 2.460 3.114 . 0 0 "[ . 1 . 2 ]" 1
1169 1 54 ASP QB 1 55 TRP HE1 . . 5.090 5.773 5.662 5.879 0.789 10 22 [*****-***+************] 1
1170 1 79 GLU HB2 1 80 ALA H . . 3.860 4.166 3.111 4.368 0.508 15 2 "[ . 1 + 2- ]" 1
1171 1 57 LEU HG 1 58 ALA H . . 4.480 4.461 3.379 5.039 0.559 6 7 "[ -* *+ *1* * 2 ]" 1
1172 1 15 GLU HG2 1 16 THR H . . 4.770 4.713 4.360 5.215 0.445 6 0 "[ . 1 . 2 ]" 1
1173 1 52 SER H 1 75 ASN H . . 3.910 3.967 3.475 4.327 0.417 14 0 "[ . 1 . 2 ]" 1
1174 1 76 ALA H 1 78 MET H . . 4.130 3.940 3.736 4.132 0.002 1 0 "[ . 1 . 2 ]" 1
1175 1 10 LEU H 1 10 LEU HB2 . . 3.970 2.626 2.533 2.708 . 0 0 "[ . 1 . 2 ]" 1
1176 1 89 TRP HA 1 90 ARG H . . 3.530 2.224 2.150 2.359 . 0 0 "[ . 1 . 2 ]" 1
1177 1 21 GLU H 1 27 ALA H . . 4.960 4.736 4.270 5.225 0.265 4 0 "[ . 1 . 2 ]" 1
1178 1 36 LEU H 1 37 LEU H . . 3.400 2.448 2.357 2.505 . 0 0 "[ . 1 . 2 ]" 1
1179 1 91 LEU HA 1 92 THR H . . 3.010 2.163 2.124 2.214 . 0 0 "[ . 1 . 2 ]" 1
1180 1 37 LEU H 1 56 VAL QG . . 4.280 4.341 3.982 4.698 0.418 1 0 "[ . 1 . 2 ]" 1
1181 1 71 ARG H 1 71 ARG HG2 . . 4.590 3.896 2.983 4.468 . 0 0 "[ . 1 . 2 ]" 1
1182 1 19 MET H 1 105 ALA H . . 4.830 4.956 3.850 5.439 0.609 22 8 "[** . * 1 * - ** 2 +]" 1
1183 1 36 LEU HA 1 39 GLN H . . 3.960 3.366 3.255 3.506 . 0 0 "[ . 1 . 2 ]" 1
1184 1 81 GLU H 1 90 ARG HB3 . . 4.400 3.020 2.375 4.422 0.022 3 0 "[ . 1 . 2 ]" 1
1185 1 12 ASP H 1 12 ASP HB2 . . 3.830 2.579 2.389 3.613 . 0 0 "[ . 1 . 2 ]" 1
1186 1 8 ARG HA 1 9 TYR H . . 3.230 2.305 1.993 2.929 . 0 0 "[ . 1 . 2 ]" 1
1187 1 32 LEU HA 1 33 ASN H . . 3.400 2.227 2.144 2.291 . 0 0 "[ . 1 . 2 ]" 1
1188 1 76 ALA HA 1 78 MET H . . 4.890 4.201 4.071 4.362 . 0 0 "[ . 1 . 2 ]" 1
1189 1 92 THR HA 1 93 THR H . . 2.900 2.084 2.019 2.142 . 0 0 "[ . 1 . 2 ]" 1
1190 1 36 LEU QD 1 74 TYR H . . 4.280 3.671 3.339 4.081 . 0 0 "[ . 1 . 2 ]" 1
1191 1 93 THR HB 1 94 GLY H . . 3.440 2.113 1.981 2.363 . 0 0 "[ . 1 . 2 ]" 1
1192 1 110 GLY H 1 111 GLU H . . 3.790 3.443 2.201 4.318 0.528 11 1 "[ . 1+ . 2 ]" 1
1193 1 11 LEU HB3 1 12 ASP H . . 4.220 2.688 2.284 3.584 . 0 0 "[ . 1 . 2 ]" 1
1194 1 62 LEU MD1 1 68 ARG H . . 5.660 5.412 3.618 6.340 0.680 5 3 "[ + 1 - . 2 *]" 1
1195 1 64 GLY H 1 66 THR H . . 4.910 4.544 4.116 4.867 . 0 0 "[ . 1 . 2 ]" 1
1196 1 94 GLY H 1 96 GLY H . . 4.230 4.230 4.012 4.435 0.205 2 0 "[ . 1 . 2 ]" 1
1197 1 108 ALA H 1 108 ALA MB . . 3.250 2.549 2.233 3.011 . 0 0 "[ . 1 . 2 ]" 1
1198 1 76 ALA H 1 77 VAL H . . 3.440 2.586 2.385 2.771 . 0 0 "[ . 1 . 2 ]" 1
1199 1 23 ASP H 1 99 GLN H . . 4.330 2.853 2.274 3.581 . 0 0 "[ . 1 . 2 ]" 1
1200 1 85 ASP H 1 87 GLU H . . 4.310 4.474 4.072 4.636 0.326 16 0 "[ . 1 . 2 ]" 1
1201 1 99 GLN H 1 99 GLN HB3 . . 3.620 2.560 2.377 2.763 . 0 0 "[ . 1 . 2 ]" 1
1202 1 46 ALA H 1 47 ASP H . . 2.790 2.484 2.360 2.647 . 0 0 "[ . 1 . 2 ]" 1
1203 1 102 CYS H 1 103 LEU H . . 4.840 4.450 4.298 4.544 . 0 0 "[ . 1 . 2 ]" 1
1204 1 63 ASP HB2 1 64 GLY H . . 4.190 4.201 3.349 4.527 0.337 13 0 "[ . 1 . 2 ]" 1
1205 1 22 ILE MG 1 25 LEU H . . 4.940 3.844 3.531 4.399 . 0 0 "[ . 1 . 2 ]" 1
1206 1 76 ALA MB 1 80 ALA H . . 4.870 5.241 4.821 5.485 0.615 7 5 "[ . +* 1 .- **2 ]" 1
1207 1 89 TRP HB2 1 90 ARG H . . 4.490 3.946 3.712 4.232 . 0 0 "[ . 1 . 2 ]" 1
1208 1 89 TRP H 1 89 TRP HE1 . . 5.670 5.218 4.944 5.417 . 0 0 "[ . 1 . 2 ]" 1
1209 1 38 ASP H 1 38 ASP HB2 . . 3.480 2.487 2.219 2.604 . 0 0 "[ . 1 . 2 ]" 1
1210 1 66 THR H 1 66 THR MG . . 3.800 2.903 2.146 3.823 0.023 21 0 "[ . 1 . 2 ]" 1
1211 1 67 ARG HA 1 68 ARG H . . 3.520 2.132 2.046 2.182 . 0 0 "[ . 1 . 2 ]" 1
1212 1 76 ALA MB 1 79 GLU H . . 4.520 4.628 4.285 4.776 0.256 10 0 "[ . 1 . 2 ]" 1
1213 1 95 GLU H 1 98 TYR QE . . 4.950 4.202 3.953 5.076 0.126 8 0 "[ . 1 . 2 ]" 1
1214 1 100 LEU H 1 100 LEU HB3 . . 4.020 3.538 3.239 3.609 . 0 0 "[ . 1 . 2 ]" 1
1215 1 42 LEU H 1 43 ALA H . . 3.250 2.735 2.657 2.849 . 0 0 "[ . 1 . 2 ]" 1
1216 1 59 VAL HB 1 70 TRP H . . 4.340 4.023 2.891 4.806 0.466 9 0 "[ . 1 . 2 ]" 1
1217 1 81 GLU H 1 91 LEU HA . . 4.350 4.188 3.731 4.612 0.262 12 0 "[ . 1 . 2 ]" 1
1218 1 23 ASP H 1 25 LEU H . . 5.220 4.154 3.976 4.301 . 0 0 "[ . 1 . 2 ]" 1
1219 1 60 GLU HB3 1 61 SER H . . 4.570 4.044 3.247 4.290 . 0 0 "[ . 1 . 2 ]" 1
1220 1 6 THR H 1 6 THR MG . . 3.310 3.252 1.937 3.839 0.529 21 1 "[ . 1 . 2+ ]" 1
1221 1 99 GLN H 1 99 GLN HB2 . . 3.600 2.713 2.554 3.180 . 0 0 "[ . 1 . 2 ]" 1
1222 1 56 VAL H 1 57 LEU HA . . 5.290 4.521 4.502 4.547 . 0 0 "[ . 1 . 2 ]" 1
1223 1 65 ARG H 1 65 ARG HB2 . . 3.920 2.776 2.466 3.850 . 0 0 "[ . 1 . 2 ]" 1
1224 1 3 HIS QB 1 4 MET H . . 3.810 3.339 2.517 4.000 0.190 10 0 "[ . 1 . 2 ]" 1
1225 1 4 MET H 1 4 MET QB . . 3.240 2.533 2.319 3.267 0.027 17 0 "[ . 1 . 2 ]" 1
1226 1 4 MET QB 1 5 THR H . . 3.600 3.350 2.893 3.662 0.062 1 0 "[ . 1 . 2 ]" 1
1227 1 4 MET QB 1 5 THR HA . . 5.190 4.509 4.027 4.934 . 0 0 "[ . 1 . 2 ]" 1
1228 1 4 MET QB 1 6 THR H . . 4.220 3.836 2.881 4.828 0.608 6 2 "[- .+ 1 . 2 ]" 1
1229 1 6 THR HA 1 8 ARG QG . . 4.890 4.259 2.655 5.404 0.514 16 1 "[ . 1 .+ 2 ]" 1
1230 1 6 THR MG 1 7 GLN QB . . 5.010 4.810 3.492 5.657 0.647 3 2 "[ + . - 1 . 2 ]" 1
1231 1 6 THR MG 1 7 GLN QG . . 5.420 5.191 3.781 6.027 0.607 16 4 "[ - 1 .+ *2* ]" 1
1232 1 7 GLN H 1 7 GLN QB . . 2.930 2.492 2.224 3.311 0.381 22 0 "[ . 1 . 2 ]" 1
1233 1 7 GLN H 1 7 GLN QG . . 3.770 3.247 2.084 4.179 0.409 19 0 "[ . 1 . 2 ]" 1
1234 1 7 GLN HA 1 7 GLN QG . . 3.560 2.521 2.318 3.020 . 0 0 "[ . 1 . 2 ]" 1
1235 1 7 GLN HA 1 8 ARG QG . . 4.550 4.436 3.805 5.058 0.508 16 1 "[ . 1 .+ 2 ]" 1
1236 1 7 GLN QB 1 7 GLN QG . . 2.370 2.024 1.977 2.095 . 0 0 "[ . 1 . 2 ]" 1
1237 1 7 GLN QB 1 9 TYR QE . . 4.220 3.036 2.059 4.600 0.380 16 0 "[ . 1 . 2 ]" 1
1238 1 8 ARG H 1 8 ARG QB . . 2.960 2.961 2.417 3.368 0.408 20 0 "[ . 1 . 2 ]" 1
1239 1 8 ARG H 1 8 ARG QG . . 2.840 2.853 2.257 3.182 0.342 3 0 "[ . 1 . 2 ]" 1
1240 1 8 ARG H 1 9 TYR QB . . 4.390 4.974 4.695 5.125 0.735 1 16 "[+**** * 1** ******- *]" 1
1241 1 8 ARG H 1 12 ASP QB . . 4.480 4.401 3.417 5.050 0.570 15 2 "[ - 1 + 2 ]" 1
1242 1 8 ARG HA 1 8 ARG QG . . 3.440 2.468 2.232 2.942 . 0 0 "[ . 1 . 2 ]" 1
1243 1 8 ARG QB 1 9 TYR H . . 3.930 3.779 3.525 3.874 . 0 0 "[ . 1 . 2 ]" 1
1244 1 8 ARG QB 1 12 ASP QB . . 4.300 4.107 3.229 4.928 0.628 9 2 "[ - +1 . 2 ]" 1
1245 1 8 ARG QB 1 89 TRP HZ2 . . 3.690 3.463 2.890 3.946 0.256 4 0 "[ . 1 . 2 ]" 1
1246 1 8 ARG QG 1 9 TYR H . . 4.350 4.402 4.018 4.652 0.302 5 0 "[ . 1 . 2 ]" 1
1247 1 9 TYR H 1 9 TYR QB . . 3.490 2.284 2.134 2.461 . 0 0 "[ . 1 . 2 ]" 1
1248 1 9 TYR H 1 12 ASP QB . . 4.510 2.548 1.833 3.985 . 0 0 "[ . 1 . 2 ]" 1
1249 1 9 TYR QB 1 10 LEU H . . 4.030 2.399 2.000 2.856 . 0 0 "[ . 1 . 2 ]" 1
1250 1 9 TYR QB 1 11 LEU H . . 4.030 2.397 1.951 2.737 . 0 0 "[ . 1 . 2 ]" 1
1251 1 9 TYR QB 1 12 ASP H . . 4.450 2.649 1.976 3.089 . 0 0 "[ . 1 . 2 ]" 1
1252 1 10 LEU H 1 10 LEU QB . . 3.490 2.240 2.173 2.328 . 0 0 "[ . 1 . 2 ]" 1
1253 1 10 LEU H 1 77 VAL QG . . 4.850 4.001 3.509 4.448 . 0 0 "[ . 1 . 2 ]" 1
1254 1 10 LEU HA 1 10 LEU QD . . 3.350 2.218 2.155 2.338 . 0 0 "[ . 1 . 2 ]" 1
1255 1 10 LEU HA 1 13 GLU QB . . 4.600 2.310 2.015 2.838 . 0 0 "[ . 1 . 2 ]" 1
1256 1 10 LEU HA 1 14 LEU QD . . 5.060 4.481 4.296 4.649 . 0 0 "[ . 1 . 2 ]" 1
1257 1 10 LEU QB 1 77 VAL QG . . 4.260 2.332 2.003 3.165 . 0 0 "[ . 1 . 2 ]" 1
1258 1 10 LEU QB 1 78 MET ME . . 6.350 4.900 3.988 6.390 0.040 18 0 "[ . 1 . 2 ]" 1
1259 1 10 LEU QB 1 80 ALA MB . . 4.110 2.558 2.258 2.779 . 0 0 "[ . 1 . 2 ]" 1
1260 1 10 LEU HG 1 100 LEU QD . . 3.990 3.704 3.345 3.976 . 0 0 "[ . 1 . 2 ]" 1
1261 1 10 LEU QD 1 11 LEU HA . . 5.260 4.401 4.283 4.579 . 0 0 "[ . 1 . 2 ]" 1
1262 1 10 LEU QD 1 13 GLU H . . 4.540 3.999 3.842 4.126 . 0 0 "[ . 1 . 2 ]" 1
1263 1 10 LEU QD 1 13 GLU HA . . 5.200 4.932 4.529 5.216 0.016 15 0 "[ . 1 . 2 ]" 1
1264 1 10 LEU QD 1 13 GLU QB . . 3.960 2.375 1.976 2.764 . 0 0 "[ . 1 . 2 ]" 1
1265 1 10 LEU QD 1 13 GLU HG2 . . 5.520 4.194 3.458 5.292 . 0 0 "[ . 1 . 2 ]" 1
1266 1 10 LEU QD 1 13 GLU HG3 . . 5.260 3.670 2.886 4.728 . 0 0 "[ . 1 . 2 ]" 1
1267 1 10 LEU QD 1 14 LEU H . . 4.140 3.496 3.249 3.860 . 0 0 "[ . 1 . 2 ]" 1
1268 1 10 LEU QD 1 14 LEU HA . . 5.400 4.260 3.911 4.686 . 0 0 "[ . 1 . 2 ]" 1
1269 1 10 LEU QD 1 14 LEU HB3 . . 4.710 3.388 2.977 5.095 0.385 9 0 "[ . 1 . 2 ]" 1
1270 1 10 LEU QD 1 14 LEU HG . . 3.760 3.877 2.902 4.182 0.422 5 0 "[ . 1 . 2 ]" 1
1271 1 10 LEU QD 1 14 LEU QD . . 2.880 2.894 2.435 3.181 0.301 5 0 "[ . 1 . 2 ]" 1
1272 1 10 LEU QD 1 77 VAL HA . . 4.210 2.388 2.031 2.779 . 0 0 "[ . 1 . 2 ]" 1
1273 1 10 LEU QD 1 77 VAL HB . . 4.650 4.080 2.425 4.489 . 0 0 "[ . 1 . 2 ]" 1
1274 1 10 LEU QD 1 77 VAL QG . . 3.450 1.978 1.858 2.142 . 0 0 "[ . 1 . 2 ]" 1
1275 1 10 LEU QD 1 80 ALA H . . 4.060 4.319 4.027 4.525 0.465 13 0 "[ . 1 . 2 ]" 1
1276 1 10 LEU QD 1 80 ALA HA . . 5.310 4.437 4.253 4.683 . 0 0 "[ . 1 . 2 ]" 1
1277 1 10 LEU QD 1 80 ALA MB . . 3.190 2.256 2.125 2.426 . 0 0 "[ . 1 . 2 ]" 1
1278 1 10 LEU QD 1 81 GLU H . . 4.890 5.291 4.862 5.445 0.555 1 5 "[+ - 1 * . * *]" 1
1279 1 10 LEU QD 1 89 TRP H . . 5.610 4.320 4.045 4.588 . 0 0 "[ . 1 . 2 ]" 1
1280 1 10 LEU QD 1 89 TRP HA . . 6.840 4.527 4.359 4.698 . 0 0 "[ . 1 . 2 ]" 1
1281 1 10 LEU QD 1 89 TRP QB . . 4.300 2.355 2.126 2.531 . 0 0 "[ . 1 . 2 ]" 1
1282 1 10 LEU QD 1 89 TRP HD1 . . 4.030 2.398 2.124 2.746 . 0 0 "[ . 1 . 2 ]" 1
1283 1 10 LEU QD 1 89 TRP HE1 . . 4.070 3.035 2.714 3.271 . 0 0 "[ . 1 . 2 ]" 1
1284 1 10 LEU QD 1 89 TRP HZ2 . . 3.940 4.412 4.120 4.580 0.640 17 8 "[* *. * 1 *- . + ** ]" 1
1285 1 10 LEU QD 1 91 LEU QD . . 5.110 2.006 1.812 2.181 . 0 0 "[ . 1 . 2 ]" 1
1286 1 10 LEU QD 1 100 LEU QB . . 4.270 2.366 2.111 2.498 . 0 0 "[ . 1 . 2 ]" 1
1287 1 10 LEU MD2 1 100 LEU HB2 . . 6.360 2.953 2.576 3.320 . 0 0 "[ . 1 . 2 ]" 1
1288 1 10 LEU QD 1 100 LEU HG . . 7.000 3.920 3.776 4.171 . 0 0 "[ . 1 . 2 ]" 1
1289 1 10 LEU QD 1 100 LEU QD . . 3.040 1.928 1.827 2.140 . 0 0 "[ . 1 . 2 ]" 1
1290 1 10 LEU QD 1 102 CYS QB . . 5.910 3.757 2.976 4.335 . 0 0 "[ . 1 . 2 ]" 1
1291 1 11 LEU H 1 14 LEU QD . . 4.680 4.034 3.844 4.269 . 0 0 "[ . 1 . 2 ]" 1
1292 1 11 LEU H 1 77 VAL QG . . 4.180 3.063 2.722 3.732 . 0 0 "[ . 1 . 2 ]" 1
1293 1 11 LEU HA 1 14 LEU QD . . 3.680 2.213 2.067 2.358 . 0 0 "[ . 1 . 2 ]" 1
1294 1 11 LEU HA 1 77 VAL QG . . 4.200 2.984 2.533 3.474 . 0 0 "[ . 1 . 2 ]" 1
1295 1 11 LEU HB2 1 14 LEU QD . . 4.320 3.912 3.599 4.605 0.285 9 0 "[ . 1 . 2 ]" 1
1296 1 11 LEU HB2 1 77 VAL QG . . 3.920 2.990 2.385 4.320 0.400 14 0 "[ . 1 . 2 ]" 1
1297 1 11 LEU HB3 1 14 LEU QD . . 4.580 4.297 3.319 4.555 . 0 0 "[ . 1 . 2 ]" 1
1298 1 11 LEU HG 1 14 LEU QD . . 4.160 3.567 3.205 4.052 . 0 0 "[ . 1 . 2 ]" 1
1299 1 12 ASP HA 1 15 GLU QG . . 4.610 3.219 2.631 3.946 . 0 0 "[ . 1 . 2 ]" 1
1300 1 12 ASP QB 1 13 GLU H . . 3.460 2.823 2.641 3.674 0.214 5 0 "[ . 1 . 2 ]" 1
1301 1 13 GLU H 1 13 GLU QB . . 3.330 2.372 2.214 2.589 . 0 0 "[ . 1 . 2 ]" 1
1302 1 13 GLU H 1 14 LEU QD . . 4.520 4.363 4.212 4.528 0.008 9 0 "[ . 1 . 2 ]" 1
1303 1 13 GLU HA 1 102 CYS QB . . 5.440 4.068 3.589 4.484 . 0 0 "[ . 1 . 2 ]" 1
1304 1 13 GLU QB 1 14 LEU H . . 3.810 2.728 2.292 3.094 . 0 0 "[ . 1 . 2 ]" 1
1305 1 13 GLU QB 1 89 TRP HE1 . . 4.610 3.018 2.515 3.491 . 0 0 "[ . 1 . 2 ]" 1
1306 1 13 GLU QB 1 102 CYS QB . . 4.020 2.401 1.902 2.881 . 0 0 "[ . 1 . 2 ]" 1
1307 1 14 LEU H 1 15 GLU QG . . 4.310 4.158 3.936 4.524 0.214 14 0 "[ . 1 . 2 ]" 1
1308 1 14 LEU HA 1 14 LEU QD . . 3.310 3.396 2.189 3.467 0.157 17 0 "[ . 1 . 2 ]" 1
1309 1 14 LEU HA 1 20 LEU QD . . 5.170 3.313 2.681 3.928 . 0 0 "[ . 1 . 2 ]" 1
1310 1 14 LEU HG 1 32 LEU QD . . 4.630 3.831 3.757 3.963 . 0 0 "[ . 1 . 2 ]" 1
1311 1 14 LEU QD 1 17 ALA MB . . 4.390 4.481 3.471 4.894 0.504 20 1 "[ . 1 . + ]" 1
1312 1 14 LEU QD 1 20 LEU QD . . 3.290 3.473 1.895 3.770 0.480 8 0 "[ . 1 . 2 ]" 1
1313 1 14 LEU QD 1 32 LEU HG . . 5.120 3.912 3.675 4.079 . 0 0 "[ . 1 . 2 ]" 1
1314 1 14 LEU QD 1 32 LEU QD . . 3.320 1.789 1.704 2.053 . 0 0 "[ . 1 . 2 ]" 1
1315 1 14 LEU QD 1 102 CYS QB . . 5.390 5.431 3.757 5.959 0.569 13 1 "[ . 1 + . 2 ]" 1
1316 1 15 GLU H 1 15 GLU QG . . 3.220 2.380 2.128 2.720 . 0 0 "[ . 1 . 2 ]" 1
1317 1 15 GLU HA 1 15 GLU QG . . 3.590 2.668 2.409 2.855 . 0 0 "[ . 1 . 2 ]" 1
1318 1 15 GLU HA 1 32 LEU QD . . 3.580 2.936 2.331 3.573 . 0 0 "[ . 1 . 2 ]" 1
1319 1 15 GLU HB2 1 32 LEU QD . . 4.840 4.932 4.456 5.241 0.401 14 0 "[ . 1 . 2 ]" 1
1320 1 15 GLU QG 1 16 THR H . . 4.170 4.242 4.071 4.430 0.260 17 0 "[ . 1 . 2 ]" 1
1321 1 15 GLU QG 1 32 LEU QD . . 3.320 3.431 2.545 3.812 0.492 2 0 "[ . 1 . 2 ]" 1
1322 1 17 ALA HA 1 20 LEU QD . . 5.460 5.072 4.041 5.970 0.510 14 1 "[ . 1 +. 2 ]" 1
1323 1 17 ALA HA 1 102 CYS QB . . 4.550 3.732 2.864 4.333 . 0 0 "[ . 1 . 2 ]" 1
1324 1 17 ALA MB 1 20 LEU QD . . 3.280 2.804 2.218 3.478 0.198 1 0 "[ . 1 . 2 ]" 1
1325 1 17 ALA MB 1 102 CYS QB . . 3.230 2.236 1.878 2.835 . 0 0 "[ . 1 . 2 ]" 1
1326 1 18 ASP H 1 19 MET QB . . 4.650 4.319 3.825 4.982 0.332 10 0 "[ . 1 . 2 ]" 1
1327 1 18 ASP H 1 103 LEU QB . . 4.630 4.679 4.153 5.138 0.508 17 1 "[ . 1 . + 2 ]" 1
1328 1 19 MET H 1 103 LEU QB . . 3.840 3.410 3.002 3.920 0.080 20 0 "[ . 1 . 2 ]" 1
1329 1 19 MET H 1 103 LEU QD . . 4.680 4.763 4.295 5.134 0.454 7 0 "[ . 1 . 2 ]" 1
1330 1 19 MET HA 1 103 LEU QD . . 4.700 5.042 4.594 5.267 0.567 1 4 "[+ .* 1 - . * 2 ]" 1
1331 1 19 MET QB 1 20 LEU H . . 3.920 3.444 2.451 3.785 . 0 0 "[ . 1 . 2 ]" 1
1332 1 19 MET QB 1 103 LEU HA . . 5.220 4.751 4.060 6.108 0.888 10 2 "[ .- + . 2 ]" 1
1333 1 19 MET QB 1 103 LEU QB . . 3.750 2.227 1.858 3.417 . 0 0 "[ . 1 . 2 ]" 1
1334 1 19 MET QB 1 103 LEU HG . . 4.800 4.205 2.609 5.357 0.557 10 1 "[ . + . 2 ]" 1
1335 1 19 MET QB 1 103 LEU QD . . 3.270 3.139 2.144 3.529 0.259 7 0 "[ . 1 . 2 ]" 1
1336 1 19 MET QG 1 103 LEU HA . . 5.090 5.298 4.151 5.791 0.701 8 5 "[ * + 1 **. -2 ]" 1
1337 1 19 MET QG 1 103 LEU QB . . 3.830 2.568 1.783 3.447 . 0 0 "[ . 1 . 2 ]" 1
1338 1 19 MET QG 1 103 LEU QD . . 3.810 2.523 2.048 4.065 0.255 13 0 "[ . 1 . 2 ]" 1
1339 1 19 MET ME 1 20 LEU QD . . 5.810 6.176 5.843 6.534 0.724 14 3 "[ . - *+. 2 ]" 1
1340 1 19 MET ME 1 103 LEU QB . . 3.830 2.464 1.906 3.506 . 0 0 "[ . 1 . 2 ]" 1
1341 1 20 LEU H 1 103 LEU QD . . 5.060 4.786 4.168 5.091 0.031 6 0 "[ . 1 . 2 ]" 1
1342 1 20 LEU HA 1 100 LEU QD . . 4.670 4.441 3.501 4.836 0.166 12 0 "[ . 1 . 2 ]" 1
1343 1 20 LEU HA 1 102 CYS QB . . 4.880 4.643 4.259 5.024 0.144 22 0 "[ . 1 . 2 ]" 1
1344 1 20 LEU HG 1 59 VAL QG . . 4.230 3.429 2.553 4.430 0.200 19 0 "[ . 1 . 2 ]" 1
1345 1 20 LEU QD 1 30 PHE HA . . 5.150 4.813 4.354 5.444 0.294 8 0 "[ . 1 . 2 ]" 1
1346 1 20 LEU QD 1 30 PHE QB . . 3.800 2.694 2.187 3.334 . 0 0 "[ . 1 . 2 ]" 1
1347 1 20 LEU QD 1 31 GLU H . . 5.280 5.125 4.548 5.781 0.501 8 1 "[ . + 1 . 2 ]" 1
1348 1 20 LEU QD 1 59 VAL HA . . 5.100 4.407 3.546 5.420 0.320 8 0 "[ . 1 . 2 ]" 1
1349 1 20 LEU QD 1 59 VAL QG . . 3.240 2.200 1.862 2.898 . 0 0 "[ . 1 . 2 ]" 1
1350 1 20 LEU QD 1 101 ARG HA . . 4.870 4.025 3.678 4.756 . 0 0 "[ . 1 . 2 ]" 1
1351 1 20 LEU QD 1 102 CYS QB . . 3.900 3.018 2.373 3.513 . 0 0 "[ . 1 . 2 ]" 1
1352 1 20 LEU QD 1 103 LEU H . . 4.100 3.495 2.837 3.908 . 0 0 "[ . 1 . 2 ]" 1
1353 1 21 GLU H 1 21 GLU QG . . 4.380 3.498 2.499 4.101 . 0 0 "[ . 1 . 2 ]" 1
1354 1 21 GLU H 1 100 LEU QD . . 4.670 3.931 2.933 4.411 . 0 0 "[ . 1 . 2 ]" 1
1355 1 21 GLU H 1 101 ARG QG . . 4.260 4.370 3.527 4.770 0.510 10 1 "[ . + . 2 ]" 1
1356 1 21 GLU H 1 103 LEU QD . . 4.620 3.816 3.027 4.387 . 0 0 "[ . 1 . 2 ]" 1
1357 1 21 GLU HA 1 100 LEU QD . . 5.110 4.638 4.332 5.085 . 0 0 "[ . 1 . 2 ]" 1
1358 1 21 GLU HA 1 103 LEU QD . . 5.110 4.509 3.777 5.404 0.294 14 0 "[ . 1 . 2 ]" 1
1359 1 21 GLU QG 1 22 ILE H . . 4.310 3.049 2.072 4.117 . 0 0 "[ . 1 . 2 ]" 1
1360 1 21 GLU QG 1 103 LEU QD . . 4.030 3.102 2.116 4.015 . 0 0 "[ . 1 . 2 ]" 1
1361 1 22 ILE H 1 22 ILE QG . . 4.400 3.932 3.025 4.204 . 0 0 "[ . 1 . 2 ]" 1
1362 1 22 ILE H 1 25 LEU QD . . 4.650 4.405 3.919 4.897 0.247 14 0 "[ . 1 . 2 ]" 1
1363 1 22 ILE HB 1 59 VAL QG . . 4.760 3.143 2.369 4.364 . 0 0 "[ . 1 . 2 ]" 1
1364 1 22 ILE MG 1 25 LEU QD . . 4.450 3.321 2.781 3.932 . 0 0 "[ . 1 . 2 ]" 1
1365 1 22 ILE QG 1 23 ASP H . . 4.620 3.342 2.919 4.134 . 0 0 "[ . 1 . 2 ]" 1
1366 1 22 ILE QG 1 23 ASP QB . . 5.070 3.516 2.617 5.175 0.105 20 0 "[ . 1 . 2 ]" 1
1367 1 22 ILE QG 1 59 VAL QG . . 3.990 3.561 2.627 3.967 . 0 0 "[ . 1 . 2 ]" 1
1368 1 22 ILE QG 1 98 TYR HA . . 4.530 3.770 3.232 5.068 0.538 11 2 "[ . 1+ .- 2 ]" 1
1369 1 22 ILE QG 1 98 TYR QD . . 4.570 3.076 2.435 4.303 . 0 0 "[ . 1 . 2 ]" 1
1370 1 22 ILE QG 1 100 LEU HA . . 5.140 3.190 2.276 3.710 . 0 0 "[ . 1 . 2 ]" 1
1371 1 22 ILE MD 1 57 LEU QD . . 4.120 4.159 3.542 4.563 0.443 16 0 "[ . 1 . 2 ]" 1
1372 1 22 ILE MD 1 100 LEU QB . . 4.850 4.645 3.721 5.127 0.277 16 0 "[ . 1 . 2 ]" 1
1373 1 23 ASP QB 1 25 LEU H . . 4.790 3.621 3.114 4.202 . 0 0 "[ . 1 . 2 ]" 1
1374 1 23 ASP QB 1 25 LEU QD . . 4.420 4.352 3.441 4.904 0.484 16 0 "[ . 1 . 2 ]" 1
1375 1 25 LEU QD 1 63 ASP HA . . 4.340 3.662 2.719 4.735 0.395 1 0 "[ . 1 . 2 ]" 1
1376 1 25 LEU QD 1 63 ASP HB2 . . 4.460 2.984 2.080 4.402 . 0 0 "[ . 1 . 2 ]" 1
1377 1 26 HIS HA 1 103 LEU QD . . 5.340 4.857 3.681 5.780 0.440 14 0 "[ . 1 . 2 ]" 1
1378 1 27 ALA HA 1 59 VAL QG . . 4.430 4.507 3.812 4.836 0.406 9 0 "[ . 1 . 2 ]" 1
1379 1 28 TRP H 1 59 VAL QG . . 4.970 5.371 4.640 5.635 0.665 18 9 "[ *** *1 * *- + 2 *]" 1
1380 1 28 TRP HD1 1 29 ARG QB . . 4.050 4.092 3.423 4.627 0.577 11 2 "[ . 1+ . - 2 ]" 1
1381 1 28 TRP HE1 1 29 ARG QB . . 5.790 3.747 3.087 4.961 . 0 0 "[ . 1 . 2 ]" 1
1382 1 30 PHE H 1 59 VAL QG . . 4.900 4.812 4.576 5.294 0.394 17 0 "[ . 1 . 2 ]" 1
1383 1 30 PHE QD 1 32 LEU QB . . 4.570 4.693 4.421 5.060 0.490 15 0 "[ . 1 . 2 ]" 1
1384 1 30 PHE QE 1 32 LEU QB . . 4.500 4.703 4.279 5.004 0.504 20 1 "[ . 1 . + ]" 1
1385 1 31 GLU H 1 57 LEU QD . . 3.390 3.218 2.740 3.767 0.377 5 0 "[ . 1 . 2 ]" 1
1386 1 31 GLU QB 1 32 LEU H . . 3.750 3.189 2.547 3.695 . 0 0 "[ . 1 . 2 ]" 1
1387 1 31 GLU QB 1 55 TRP HH2 . . 4.550 2.524 2.051 3.260 . 0 0 "[ . 1 . 2 ]" 1
1388 1 31 GLU QB 1 58 ALA H . . 5.160 3.325 2.697 4.429 . 0 0 "[ . 1 . 2 ]" 1
1389 1 32 LEU H 1 32 LEU QB . . 3.600 2.548 2.396 2.677 . 0 0 "[ . 1 . 2 ]" 1
1390 1 32 LEU H 1 37 LEU QD . . 4.920 5.206 4.912 5.474 0.554 4 3 "[ +. * - . 2 ]" 1
1391 1 32 LEU HA 1 37 LEU QD . . 4.680 3.890 3.540 4.194 . 0 0 "[ . 1 . 2 ]" 1
1392 1 32 LEU QB 1 37 LEU QD . . 4.240 2.245 2.011 2.496 . 0 0 "[ . 1 . 2 ]" 1
1393 1 32 LEU QD 1 33 ASN H . . 3.850 3.551 3.300 3.973 0.123 20 0 "[ . 1 . 2 ]" 1
1394 1 32 LEU QD 1 37 LEU HG . . 4.750 4.420 3.999 4.747 . 0 0 "[ . 1 . 2 ]" 1
1395 1 32 LEU QD 1 37 LEU QD . . 3.070 2.449 2.037 2.746 . 0 0 "[ . 1 . 2 ]" 1
1396 1 32 LEU QD 1 57 LEU HA . . 3.660 2.953 2.472 3.483 . 0 0 "[ . 1 . 2 ]" 1
1397 1 33 ASN H 1 33 ASN QD . . 4.970 4.551 4.509 4.621 . 0 0 "[ . 1 . 2 ]" 1
1398 1 33 ASN H 1 37 LEU QD . . 4.320 3.449 3.160 3.665 . 0 0 "[ . 1 . 2 ]" 1
1399 1 33 ASN QB 1 36 LEU H . . 4.830 3.436 3.253 3.656 . 0 0 "[ . 1 . 2 ]" 1
1400 1 33 ASN QB 1 36 LEU QB . . 5.420 2.387 2.228 2.684 . 0 0 "[ . 1 . 2 ]" 1
1401 1 33 ASN QB 1 36 LEU QD . . 4.980 2.965 2.728 3.232 . 0 0 "[ . 1 . 2 ]" 1
1402 1 33 ASN QB 1 55 TRP HE1 . . 5.880 3.912 3.505 4.647 . 0 0 "[ . 1 . 2 ]" 1
1403 1 33 ASN QB 1 56 VAL QG . . 3.860 2.582 2.311 2.883 . 0 0 "[ . 1 . 2 ]" 1
1404 1 33 ASN QB 1 57 LEU H . . 5.130 4.645 4.466 4.757 . 0 0 "[ . 1 . 2 ]" 1
1405 1 34 GLU H 1 34 GLU QB . . 3.090 2.493 2.366 2.952 . 0 0 "[ . 1 . 2 ]" 1
1406 1 34 GLU H 1 37 LEU QD . . 4.690 4.368 3.986 4.744 0.054 15 0 "[ . 1 . 2 ]" 1
1407 1 34 GLU HA 1 37 LEU QB . . 3.670 2.346 2.033 3.006 . 0 0 "[ . 1 . 2 ]" 1
1408 1 34 GLU HA 1 37 LEU QD . . 3.740 2.832 2.424 3.402 . 0 0 "[ . 1 . 2 ]" 1
1409 1 34 GLU QB 1 35 ASN H . . 3.360 2.740 2.451 3.324 . 0 0 "[ . 1 . 2 ]" 1
1410 1 34 GLU QB 1 37 LEU H . . 4.790 4.661 4.452 4.933 0.143 15 0 "[ . 1 . 2 ]" 1
1411 1 34 GLU QG 1 37 LEU QD . . 4.380 3.551 2.542 4.932 0.552 15 1 "[ . 1 + 2 ]" 1
1412 1 35 ASN H 1 35 ASN QB . . 2.810 2.164 2.095 2.221 . 0 0 "[ . 1 . 2 ]" 1
1413 1 35 ASN HA 1 35 ASN QD . . 4.580 2.715 1.797 3.730 . 0 0 "[ . 1 . 2 ]" 1
1414 1 35 ASN HA 1 38 ASP QB . . 3.880 2.974 2.662 3.633 . 0 0 "[ . 1 . 2 ]" 1
1415 1 35 ASN QB 1 36 LEU HA . . 5.370 4.051 3.834 4.188 . 0 0 "[ . 1 . 2 ]" 1
1416 1 35 ASN QB 1 36 LEU QD . . 4.740 4.430 4.277 4.599 . 0 0 "[ . 1 . 2 ]" 1
1417 1 35 ASN QB 1 39 GLN QE . . 4.620 4.702 3.567 5.127 0.507 1 2 "[+ . -1 . 2 ]" 1
1418 1 35 ASN QD 1 39 GLN QE . . 5.200 4.243 2.785 5.968 0.768 12 1 "[ . 1 + . 2 ]" 1
1419 1 36 LEU H 1 37 LEU QB . . 4.330 4.518 4.378 4.642 0.312 22 0 "[ . 1 . 2 ]" 1
1420 1 36 LEU H 1 37 LEU QD . . 4.560 4.560 4.189 4.775 0.215 9 0 "[ . 1 . 2 ]" 1
1421 1 36 LEU QD 1 39 GLN QG . . 4.370 4.006 3.698 4.275 . 0 0 "[ . 1 . 2 ]" 1
1422 1 37 LEU H 1 37 LEU QB . . 3.220 2.410 2.320 2.482 . 0 0 "[ . 1 . 2 ]" 1
1423 1 37 LEU H 1 37 LEU QD . . 3.580 3.147 2.957 3.323 . 0 0 "[ . 1 . 2 ]" 1
1424 1 37 LEU HA 1 37 LEU QD . . 3.000 2.006 1.910 2.052 . 0 0 "[ . 1 . 2 ]" 1
1425 1 37 LEU QB 1 38 ASP H . . 3.590 2.909 2.768 3.013 . 0 0 "[ . 1 . 2 ]" 1
1426 1 37 LEU QD 1 56 VAL QG . . 3.710 1.977 1.824 2.216 . 0 0 "[ . 1 . 2 ]" 1
1427 1 37 LEU QD 1 74 TYR QE . . 3.520 2.357 2.081 2.739 . 0 0 "[ . 1 . 2 ]" 1
1428 1 38 ASP H 1 38 ASP QB . . 3.010 2.255 2.135 2.526 . 0 0 "[ . 1 . 2 ]" 1
1429 1 38 ASP QB 1 39 GLN HA . . 4.660 4.123 3.901 4.270 . 0 0 "[ . 1 . 2 ]" 1
1430 1 38 ASP QB 1 39 GLN QG . . 5.380 2.900 2.713 3.068 . 0 0 "[ . 1 . 2 ]" 1
1431 1 38 ASP QB 1 39 GLN QE . . 4.340 4.630 3.971 4.856 0.516 6 2 "[ .+ 1 . - 2 ]" 1
1432 1 39 GLN HA 1 39 GLN QE . . 4.670 4.758 4.633 4.858 0.188 7 0 "[ . 1 . 2 ]" 1
1433 1 39 GLN QG 1 40 ALA H . . 4.220 4.006 3.791 4.192 . 0 0 "[ . 1 . 2 ]" 1
1434 1 40 ALA H 1 41 ASP QB . . 4.330 4.350 4.122 4.501 0.171 1 0 "[ . 1 . 2 ]" 1
1435 1 40 ALA MB 1 50 PHE QB . . 5.060 2.983 2.665 3.224 . 0 0 "[ . 1 . 2 ]" 1
1436 1 41 ASP H 1 41 ASP QB . . 2.910 2.249 2.159 2.305 . 0 0 "[ . 1 . 2 ]" 1
1437 1 41 ASP QB 1 44 ALA MB . . 4.620 4.151 3.911 4.496 . 0 0 "[ . 1 . 2 ]" 1
1438 1 42 LEU HA 1 45 GLU QG . . 4.570 3.737 2.011 4.493 . 0 0 "[ . 1 . 2 ]" 1
1439 1 43 ALA HA 1 48 GLN QB . . 3.700 3.014 2.698 3.192 . 0 0 "[ . 1 . 2 ]" 1
1440 1 43 ALA HA 1 48 GLN QG . . 4.050 4.245 3.407 4.548 0.498 21 0 "[ . 1 . 2 ]" 1
1441 1 43 ALA HA 1 50 PHE QB . . 5.150 4.956 4.722 5.084 . 0 0 "[ . 1 . 2 ]" 1
1442 1 43 ALA MB 1 48 GLN QB . . 3.240 2.303 2.132 2.515 . 0 0 "[ . 1 . 2 ]" 1
1443 1 43 ALA MB 1 48 GLN QG . . 3.890 4.153 3.668 4.400 0.510 3 1 "[ + . 1 . 2 ]" 1
1444 1 44 ALA H 1 50 PHE QB . . 4.450 4.038 3.797 4.545 0.095 6 0 "[ . 1 . 2 ]" 1
1445 1 45 GLU H 1 45 GLU QG . . 3.680 2.511 2.309 2.804 . 0 0 "[ . 1 . 2 ]" 1
1446 1 45 GLU HA 1 45 GLU QG . . 3.170 2.500 2.168 3.323 0.153 3 0 "[ . 1 . 2 ]" 1
1447 1 46 ALA H 1 47 ASP QB . . 4.720 4.950 4.848 5.059 0.339 14 0 "[ . 1 . 2 ]" 1
1448 1 46 ALA HA 1 47 ASP QB . . 4.660 3.970 3.826 4.064 . 0 0 "[ . 1 . 2 ]" 1
1449 1 46 ALA HA 1 48 GLN QG . . 4.440 4.432 4.230 4.727 0.287 14 0 "[ . 1 . 2 ]" 1
1450 1 46 ALA MB 1 47 ASP QB . . 4.720 4.217 4.101 4.285 . 0 0 "[ . 1 . 2 ]" 1
1451 1 46 ALA MB 1 48 GLN QG . . 3.070 2.608 2.284 2.944 . 0 0 "[ . 1 . 2 ]" 1
1452 1 47 ASP H 1 47 ASP QB . . 3.220 3.006 2.933 3.079 . 0 0 "[ . 1 . 2 ]" 1
1453 1 47 ASP HA 1 48 GLN QG . . 5.050 4.632 4.447 4.836 . 0 0 "[ . 1 . 2 ]" 1
1454 1 47 ASP QB 1 48 GLN QG . . 5.000 3.734 3.508 4.261 . 0 0 "[ . 1 . 2 ]" 1
1455 1 47 ASP QB 1 48 GLN QE . . 5.100 5.286 3.847 5.457 0.357 16 0 "[ . 1 . 2 ]" 1
1456 1 48 GLN H 1 48 GLN QB . . 3.230 2.491 2.403 2.558 . 0 0 "[ . 1 . 2 ]" 1
1457 1 48 GLN H 1 48 GLN QG . . 3.330 2.573 2.112 2.754 . 0 0 "[ . 1 . 2 ]" 1
1458 1 48 GLN H 1 49 PRO QD . . 4.330 4.235 3.946 4.445 0.115 3 0 "[ . 1 . 2 ]" 1
1459 1 48 GLN HA 1 48 GLN QG . . 3.380 2.503 2.394 3.001 . 0 0 "[ . 1 . 2 ]" 1
1460 1 48 GLN QG 1 49 PRO QD . . 3.650 3.746 3.500 4.204 0.554 5 1 "[ + 1 . 2 ]" 1
1461 1 49 PRO QD 1 50 PHE H . . 4.980 4.916 4.845 4.985 0.005 10 0 "[ . 1 . 2 ]" 1
1462 1 50 PHE QB 1 51 ALA H . . 3.700 3.714 3.632 3.851 0.151 5 0 "[ . 1 . 2 ]" 1
1463 1 50 PHE QE 1 52 SER QB . . 4.190 2.666 2.278 3.244 . 0 0 "[ . 1 . 2 ]" 1
1464 1 50 PHE HZ 1 52 SER QB . . 4.600 3.471 3.038 4.450 . 0 0 "[ . 1 . 2 ]" 1
1465 1 52 SER H 1 53 GLU QG . . 4.680 4.717 4.402 4.948 0.268 9 0 "[ . 1 . 2 ]" 1
1466 1 52 SER H 1 75 ASN QB . . 4.610 4.071 3.188 4.809 0.199 5 0 "[ . 1 . 2 ]" 1
1467 1 52 SER HA 1 53 GLU QG . . 4.570 3.801 3.575 4.503 . 0 0 "[ . 1 . 2 ]" 1
1468 1 52 SER QB 1 53 GLU H . . 3.820 3.378 2.664 3.742 . 0 0 "[ . 1 . 2 ]" 1
1469 1 52 SER QB 1 54 ASP H . . 4.170 2.983 2.233 3.451 . 0 0 "[ . 1 . 2 ]" 1
1470 1 52 SER QB 1 74 TYR H . . 4.550 4.437 3.959 5.047 0.497 4 0 "[ . 1 . 2 ]" 1
1471 1 53 GLU H 1 53 GLU QB . . 3.340 2.425 2.317 2.521 . 0 0 "[ . 1 . 2 ]" 1
1472 1 53 GLU H 1 53 GLU QG . . 3.860 2.728 2.493 3.511 . 0 0 "[ . 1 . 2 ]" 1
1473 1 53 GLU H 1 54 ASP QB . . 4.350 4.039 3.744 4.370 0.020 10 0 "[ . 1 . 2 ]" 1
1474 1 53 GLU HA 1 73 SER QB . . 3.480 2.636 2.193 3.307 . 0 0 "[ . 1 . 2 ]" 1
1475 1 53 GLU QB 1 73 SER QB . . 5.160 3.824 3.396 4.402 . 0 0 "[ . 1 . 2 ]" 1
1476 1 53 GLU QG 1 54 ASP H . . 4.890 4.463 4.294 4.708 . 0 0 "[ . 1 . 2 ]" 1
1477 1 53 GLU QG 1 75 ASN QD . . 4.010 3.088 2.597 3.727 . 0 0 "[ . 1 . 2 ]" 1
1478 1 54 ASP QB 1 55 TRP HD1 . . 3.990 4.335 4.143 4.452 0.462 10 0 "[ . 1 . 2 ]" 1
1479 1 55 TRP HA 1 73 SER QB . . 3.970 3.735 3.166 4.251 0.281 7 0 "[ . 1 . 2 ]" 1
1480 1 55 TRP QB 1 55 TRP HE3 . . 3.480 2.403 2.367 2.436 . 0 0 "[ . 1 . 2 ]" 1
1481 1 55 TRP QB 1 56 VAL H . . 4.250 2.885 2.680 2.992 . 0 0 "[ . 1 . 2 ]" 1
1482 1 55 TRP QB 1 57 LEU H . . 4.020 3.449 3.285 3.612 . 0 0 "[ . 1 . 2 ]" 1
1483 1 55 TRP QB 1 71 ARG HB3 . . 4.910 2.904 2.450 3.634 . 0 0 "[ . 1 . 2 ]" 1
1484 1 55 TRP QB 1 71 ARG HD2 . . 5.550 3.819 2.892 5.945 0.395 14 0 "[ . 1 . 2 ]" 1
1485 1 55 TRP QB 1 72 PHE H . . 4.820 4.080 3.792 4.531 . 0 0 "[ . 1 . 2 ]" 1
1486 1 56 VAL H 1 57 LEU QB . . 4.720 3.781 3.624 3.992 . 0 0 "[ . 1 . 2 ]" 1
1487 1 56 VAL H 1 57 LEU QD . . 5.100 4.951 4.379 5.237 0.137 18 0 "[ . 1 . 2 ]" 1
1488 1 56 VAL H 1 72 PHE QB . . 5.080 4.167 3.979 4.414 . 0 0 "[ . 1 . 2 ]" 1
1489 1 56 VAL H 1 77 VAL QG . . 4.910 4.401 4.043 4.636 . 0 0 "[ . 1 . 2 ]" 1
1490 1 56 VAL QG 1 72 PHE QB . . 4.750 3.312 2.909 3.763 . 0 0 "[ . 1 . 2 ]" 1
1491 1 57 LEU H 1 57 LEU QB . . 3.440 2.548 2.443 2.675 . 0 0 "[ . 1 . 2 ]" 1
1492 1 57 LEU H 1 57 LEU QD . . 4.110 3.816 3.357 4.032 . 0 0 "[ . 1 . 2 ]" 1
1493 1 57 LEU H 1 72 PHE QB . . 4.730 3.553 3.177 3.918 . 0 0 "[ . 1 . 2 ]" 1
1494 1 57 LEU H 1 77 VAL QG . . 4.500 4.170 3.628 4.534 0.034 11 0 "[ . 1 . 2 ]" 1
1495 1 57 LEU QB 1 58 ALA H . . 3.980 3.761 3.425 3.918 . 0 0 "[ . 1 . 2 ]" 1
1496 1 57 LEU QB 1 59 VAL H . . 4.650 4.841 3.879 5.245 0.595 9 6 "[* .- +1 . * *2* ]" 1
1497 1 57 LEU QB 1 72 PHE H . . 3.860 3.084 2.479 3.500 . 0 0 "[ . 1 . 2 ]" 1
1498 1 57 LEU QB 1 72 PHE HA . . 5.290 4.839 4.371 5.208 . 0 0 "[ . 1 . 2 ]" 1
1499 1 57 LEU QB 1 72 PHE QB . . 4.760 2.269 2.009 2.560 . 0 0 "[ . 1 . 2 ]" 1
1500 1 57 LEU HG 1 59 VAL QG . . 3.640 3.142 1.936 4.005 0.365 21 0 "[ . 1 . 2 ]" 1
1501 1 57 LEU QD 1 59 VAL H . . 3.490 3.430 2.938 4.057 0.567 10 1 "[ . + . 2 ]" 1
1502 1 57 LEU QD 1 59 VAL HA . . 4.840 3.624 3.388 3.790 . 0 0 "[ . 1 . 2 ]" 1
1503 1 57 LEU QD 1 59 VAL QG . . 3.190 1.918 1.781 2.096 . 0 0 "[ . 1 . 2 ]" 1
1504 1 57 LEU QD 1 72 PHE H . . 4.650 4.064 3.347 4.450 . 0 0 "[ . 1 . 2 ]" 1
1505 1 57 LEU QD 1 72 PHE QB . . 4.000 3.270 2.636 3.860 . 0 0 "[ . 1 . 2 ]" 1
1506 1 57 LEU QD 1 72 PHE QD . . 3.520 2.496 1.953 3.388 . 0 0 "[ . 1 . 2 ]" 1
1507 1 57 LEU QD 1 72 PHE QE . . 4.230 3.554 2.984 4.176 . 0 0 "[ . 1 . 2 ]" 1
1508 1 57 LEU QD 1 77 VAL HB . . 4.760 5.176 4.369 5.395 0.635 6 9 "[ ***.+* *1 -* 2* ]" 1
1509 1 58 ALA H 1 59 VAL QG . . 4.420 3.980 3.784 4.144 . 0 0 "[ . 1 . 2 ]" 1
1510 1 58 ALA HA 1 59 VAL QG . . 4.820 3.405 3.233 3.480 . 0 0 "[ . 1 . 2 ]" 1
1511 1 59 VAL H 1 59 VAL QG . . 3.750 1.976 1.777 2.196 . 0 0 "[ . 1 . 2 ]" 1
1512 1 59 VAL H 1 69 GLU QB . . 5.020 4.945 3.696 5.650 0.630 8 7 "[ - * + * *.* 2 *]" 1
1513 1 59 VAL H 1 69 GLU QG . . 4.830 4.032 3.038 5.406 0.576 19 2 "[ . - 1 . +2 ]" 1
1514 1 59 VAL HB 1 100 LEU QD . . 5.660 4.148 3.628 4.603 . 0 0 "[ . 1 . 2 ]" 1
1515 1 59 VAL QG 1 60 GLU HA . . 5.270 4.216 3.900 4.412 . 0 0 "[ . 1 . 2 ]" 1
1516 1 59 VAL QG 1 70 TRP HA . . 5.480 4.313 4.037 5.262 . 0 0 "[ . 1 . 2 ]" 1
1517 1 59 VAL QG 1 70 TRP HZ3 . . 4.260 3.663 2.803 4.055 . 0 0 "[ . 1 . 2 ]" 1
1518 1 59 VAL QG 1 72 PHE H . . 4.810 4.406 3.746 4.895 0.085 3 0 "[ . 1 . 2 ]" 1
1519 1 60 GLU H 1 60 GLU QB . . 3.370 2.585 2.348 3.170 . 0 0 "[ . 1 . 2 ]" 1
1520 1 60 GLU QB 1 61 SER H . . 4.020 3.506 2.695 3.849 . 0 0 "[ . 1 . 2 ]" 1
1521 1 60 GLU QB 1 69 GLU HA . . 5.240 3.642 2.686 4.133 . 0 0 "[ . 1 . 2 ]" 1
1522 1 60 GLU QG 1 62 LEU QD . . 4.630 3.461 2.554 4.984 0.354 8 0 "[ . 1 . 2 ]" 1
1523 1 61 SER H 1 68 ARG QB . . 4.710 3.521 2.956 3.985 . 0 0 "[ . 1 . 2 ]" 1
1524 1 62 LEU HA 1 62 LEU QD . . 3.200 2.312 2.075 2.873 . 0 0 "[ . 1 . 2 ]" 1
1525 1 62 LEU QD 1 63 ASP H . . 4.150 3.866 3.471 4.407 0.257 20 0 "[ . 1 . 2 ]" 1
1526 1 62 LEU QD 1 63 ASP HA . . 5.230 5.302 5.000 5.430 0.200 16 0 "[ . 1 . 2 ]" 1
1527 1 62 LEU QD 1 65 ARG HA . . 4.280 3.523 2.161 4.446 0.166 6 0 "[ . 1 . 2 ]" 1
1528 1 62 LEU QD 1 65 ARG QB . . 4.900 4.639 3.406 5.442 0.542 6 1 "[ .+ 1 . 2 ]" 1
1529 1 62 LEU QD 1 66 THR H . . 5.300 4.300 2.298 4.804 . 0 0 "[ . 1 . 2 ]" 1
1530 1 62 LEU QD 1 67 ARG H . . 4.910 4.031 3.215 4.737 . 0 0 "[ . 1 . 2 ]" 1
1531 1 62 LEU QD 1 67 ARG HA . . 4.280 2.454 2.033 3.210 . 0 0 "[ . 1 . 2 ]" 1
1532 1 62 LEU QD 1 67 ARG QB . . 3.820 3.019 2.074 4.078 0.258 20 0 "[ . 1 . 2 ]" 1
1533 1 62 LEU QD 1 67 ARG QG . . 5.150 2.644 1.929 3.923 . 0 0 "[ . 1 . 2 ]" 1
1534 1 62 LEU QD 1 67 ARG HD2 . . 4.130 3.344 2.094 4.354 0.224 3 0 "[ . 1 . 2 ]" 1
1535 1 62 LEU QD 1 68 ARG H . . 4.650 3.577 2.831 4.402 . 0 0 "[ . 1 . 2 ]" 1
1536 1 63 ASP HA 1 64 GLY QA . . 4.880 3.905 3.860 3.932 . 0 0 "[ . 1 . 2 ]" 1
1537 1 64 GLY H 1 65 ARG QG . . 5.020 5.613 5.502 5.861 0.841 17 21 [****************+**2*-] 1
1538 1 64 GLY QA 1 65 ARG H . . 3.090 2.133 2.072 2.214 . 0 0 "[ . 1 . 2 ]" 1
1539 1 64 GLY QA 1 65 ARG QG . . 4.440 3.610 3.212 4.658 0.218 17 0 "[ . 1 . 2 ]" 1
1540 1 64 GLY QA 1 66 THR H . . 3.840 3.435 2.963 4.132 0.292 21 0 "[ . 1 . 2 ]" 1
1541 1 64 GLY QA 1 66 THR MG . . 4.620 4.631 3.993 5.404 0.784 13 9 "[ ** *** 1 -+ . * 2* ]" 1
1542 1 65 ARG H 1 65 ARG QB . . 3.380 2.669 2.431 3.182 . 0 0 "[ . 1 . 2 ]" 1
1543 1 65 ARG H 1 65 ARG QD . . 4.700 4.132 2.940 4.548 . 0 0 "[ . 1 . 2 ]" 1
1544 1 65 ARG HA 1 65 ARG QG . . 3.270 2.839 2.181 3.384 0.114 5 0 "[ . 1 . 2 ]" 1
1545 1 65 ARG HA 1 65 ARG QD . . 3.520 2.365 1.923 4.175 0.655 14 2 "[ . 1 -+. 2 ]" 1
1546 1 65 ARG QB 1 65 ARG QD . . 2.830 2.451 2.066 2.874 0.044 11 0 "[ . 1 . 2 ]" 1
1547 1 65 ARG QB 1 66 THR H . . 3.710 3.618 3.086 3.917 0.207 5 0 "[ . 1 . 2 ]" 1
1548 1 65 ARG QB 1 66 THR HA . . 5.070 4.215 3.849 4.470 . 0 0 "[ . 1 . 2 ]" 1
1549 1 66 THR HA 1 67 ARG QB . . 4.470 4.357 4.030 4.652 0.182 3 0 "[ . 1 . 2 ]" 1
1550 1 67 ARG H 1 67 ARG QG . . 3.990 3.078 2.213 4.056 0.066 5 0 "[ . 1 . 2 ]" 1
1551 1 67 ARG QG 1 68 ARG H . . 4.350 4.132 3.205 4.896 0.546 10 1 "[ . + . 2 ]" 1
1552 1 68 ARG H 1 68 ARG QG . . 4.430 3.972 2.967 4.186 . 0 0 "[ . 1 . 2 ]" 1
1553 1 68 ARG HA 1 69 GLU QB . . 5.010 4.147 3.920 4.499 . 0 0 "[ . 1 . 2 ]" 1
1554 1 68 ARG QB 1 69 GLU H . . 4.060 3.765 3.350 3.895 . 0 0 "[ . 1 . 2 ]" 1
1555 1 68 ARG QG 1 69 GLU H . . 3.620 3.162 2.565 4.009 0.389 19 0 "[ . 1 . 2 ]" 1
1556 1 68 ARG QG 1 70 TRP HE1 . . 5.190 4.026 3.191 5.578 0.388 10 0 "[ . 1 . 2 ]" 1
1557 1 69 GLU H 1 69 GLU QG . . 4.210 3.778 2.962 4.114 . 0 0 "[ . 1 . 2 ]" 1
1558 1 69 GLU QB 1 70 TRP H . . 4.100 3.468 2.718 3.809 . 0 0 "[ . 1 . 2 ]" 1
1559 1 69 GLU QG 1 70 TRP H . . 4.130 3.114 2.624 4.033 . 0 0 "[ . 1 . 2 ]" 1
1560 1 72 PHE H 1 72 PHE QB . . 3.520 2.484 2.406 2.586 . 0 0 "[ . 1 . 2 ]" 1
1561 1 72 PHE H 1 77 VAL QG . . 4.880 4.768 4.297 5.192 0.312 8 0 "[ . 1 . 2 ]" 1
1562 1 72 PHE HA 1 77 VAL QG . . 4.820 4.617 4.222 5.081 0.261 15 0 "[ . 1 . 2 ]" 1
1563 1 72 PHE QB 1 73 SER H . . 4.390 2.925 2.737 3.153 . 0 0 "[ . 1 . 2 ]" 1
1564 1 72 PHE QB 1 76 ALA MB . . 3.690 2.634 2.356 3.150 . 0 0 "[ . 1 . 2 ]" 1
1565 1 72 PHE QB 1 77 VAL QG . . 3.700 2.448 2.069 2.775 . 0 0 "[ . 1 . 2 ]" 1
1566 1 72 PHE QB 1 91 LEU QD . . 4.980 2.696 2.163 3.107 . 0 0 "[ . 1 . 2 ]" 1
1567 1 72 PHE QD 1 77 VAL QG . . 4.440 3.807 3.569 4.032 . 0 0 "[ . 1 . 2 ]" 1
1568 1 72 PHE QD 1 100 LEU QD . . 4.730 2.782 2.475 3.050 . 0 0 "[ . 1 . 2 ]" 1
1569 1 73 SER H 1 73 SER QB . . 3.390 2.544 2.385 2.703 . 0 0 "[ . 1 . 2 ]" 1
1570 1 73 SER H 1 77 VAL QG . . 5.030 4.375 4.055 4.739 . 0 0 "[ . 1 . 2 ]" 1
1571 1 73 SER QB 1 74 TYR H . . 3.440 2.498 2.364 2.719 . 0 0 "[ . 1 . 2 ]" 1
1572 1 74 TYR HA 1 77 VAL QG . . 4.190 3.196 2.099 3.396 . 0 0 "[ . 1 . 2 ]" 1
1573 1 74 TYR QE 1 78 MET QG . . 4.100 2.815 2.474 3.003 . 0 0 "[ . 1 . 2 ]" 1
1574 1 75 ASN QB 1 76 ALA H . . 3.460 2.762 2.472 3.103 . 0 0 "[ . 1 . 2 ]" 1
1575 1 75 ASN QB 1 79 GLU H . . 4.930 5.115 4.433 5.474 0.544 16 3 "[ *. - 1 .+ 2 ]" 1
1576 1 75 ASN QD 1 78 MET QG . . 4.290 4.056 3.641 4.313 0.023 12 0 "[ . 1 . 2 ]" 1
1577 1 76 ALA H 1 77 VAL QG . . 4.410 4.164 3.682 4.416 0.006 6 0 "[ . 1 . 2 ]" 1
1578 1 76 ALA HA 1 77 VAL QG . . 6.240 4.790 4.505 4.899 . 0 0 "[ . 1 . 2 ]" 1
1579 1 76 ALA MB 1 77 VAL QG . . 4.240 3.087 2.936 3.284 . 0 0 "[ . 1 . 2 ]" 1
1580 1 77 VAL H 1 77 VAL QG . . 2.980 2.379 1.985 2.518 . 0 0 "[ . 1 . 2 ]" 1
1581 1 77 VAL H 1 78 MET QG . . 4.760 4.404 4.026 4.671 . 0 0 "[ . 1 . 2 ]" 1
1582 1 77 VAL QG 1 78 MET HA . . 4.320 3.545 3.259 3.654 . 0 0 "[ . 1 . 2 ]" 1
1583 1 77 VAL QG 1 78 MET ME . . 3.990 3.380 2.325 4.454 0.464 20 0 "[ . 1 . 2 ]" 1
1584 1 77 VAL QG 1 79 GLU H . . 4.820 4.691 4.435 4.876 0.056 10 0 "[ . 1 . 2 ]" 1
1585 1 77 VAL QG 1 80 ALA H . . 4.260 4.346 4.217 4.489 0.229 6 0 "[ . 1 . 2 ]" 1
1586 1 77 VAL QG 1 80 ALA MB . . 3.590 3.261 3.075 3.496 . 0 0 "[ . 1 . 2 ]" 1
1587 1 77 VAL QG 1 91 LEU QD . . 3.570 2.330 1.902 2.777 . 0 0 "[ . 1 . 2 ]" 1
1588 1 78 MET H 1 78 MET QG . . 2.980 2.527 2.343 2.799 . 0 0 "[ . 1 . 2 ]" 1
1589 1 78 MET HA 1 78 MET QG . . 3.730 2.703 2.482 3.018 . 0 0 "[ . 1 . 2 ]" 1
1590 1 79 GLU HA 1 79 GLU QG . . 3.210 3.201 2.364 3.467 0.257 12 0 "[ . 1 . 2 ]" 1
1591 1 80 ALA MB 1 89 TRP QB . . 3.750 2.201 1.994 2.598 . 0 0 "[ . 1 . 2 ]" 1
1592 1 81 GLU H 1 89 TRP QB . . 5.010 3.999 3.721 4.339 . 0 0 "[ . 1 . 2 ]" 1
1593 1 81 GLU H 1 90 ARG QB . . 3.850 2.836 2.355 3.550 . 0 0 "[ . 1 . 2 ]" 1
1594 1 81 GLU HA 1 82 PRO QG . . 4.660 3.886 3.831 3.936 . 0 0 "[ . 1 . 2 ]" 1
1595 1 81 GLU HB2 1 90 ARG QD . . 3.730 3.412 2.616 4.334 0.604 17 1 "[ . 1 . + 2 ]" 1
1596 1 82 PRO HA 1 89 TRP QB . . 5.620 4.372 4.233 4.598 . 0 0 "[ . 1 . 2 ]" 1
1597 1 82 PRO QG 1 83 GLN H . . 4.590 4.801 4.674 4.980 0.390 13 0 "[ . 1 . 2 ]" 1
1598 1 82 PRO QG 1 83 GLN QE . . 5.290 5.023 4.664 5.339 0.049 17 0 "[ . 1 . 2 ]" 1
1599 1 83 GLN H 1 83 GLN QB . . 3.140 2.463 2.386 2.537 . 0 0 "[ . 1 . 2 ]" 1
1600 1 83 GLN H 1 83 GLN QG . . 3.340 2.414 2.217 2.619 . 0 0 "[ . 1 . 2 ]" 1
1601 1 83 GLN H 1 90 ARG QB . . 5.080 5.197 4.823 5.738 0.658 4 3 "[ *+. - 1 . 2 ]" 1
1602 1 83 GLN HA 1 88 SER QB . . 5.180 5.133 4.751 5.528 0.348 3 0 "[ . 1 . 2 ]" 1
1603 1 83 GLN QB 1 84 ALA H . . 3.340 2.279 2.033 2.598 . 0 0 "[ . 1 . 2 ]" 1
1604 1 83 GLN QB 1 84 ALA MB . . 4.540 3.839 3.606 4.059 . 0 0 "[ . 1 . 2 ]" 1
1605 1 83 GLN QG 1 84 ALA MB . . 5.810 5.483 5.292 5.635 . 0 0 "[ . 1 . 2 ]" 1
1606 1 83 GLN QG 1 89 TRP H . . 4.390 3.809 3.510 4.194 . 0 0 "[ . 1 . 2 ]" 1
1607 1 83 GLN QG 1 90 ARG H . . 4.270 3.029 2.622 3.490 . 0 0 "[ . 1 . 2 ]" 1
1608 1 83 GLN QE 1 88 SER QB . . 5.270 5.037 4.580 5.341 0.071 14 0 "[ . 1 . 2 ]" 1
1609 1 83 GLN QE 1 90 ARG QB . . 3.640 2.436 2.142 3.173 . 0 0 "[ . 1 . 2 ]" 1
1610 1 83 GLN QE 1 90 ARG QD . . 4.130 3.109 2.148 4.650 0.520 9 2 "[ . +1 . 2 -]" 1
1611 1 85 ASP H 1 88 SER QB . . 4.940 3.955 3.273 4.601 . 0 0 "[ . 1 . 2 ]" 1
1612 1 87 GLU QB 1 101 ARG QD . . 4.150 2.979 2.119 4.402 0.252 9 0 "[ . 1 . 2 ]" 1
1613 1 88 SER QB 1 101 ARG QB . . 5.310 3.263 2.989 3.698 . 0 0 "[ . 1 . 2 ]" 1
1614 1 89 TRP H 1 89 TRP QB . . 3.540 2.655 2.537 2.740 . 0 0 "[ . 1 . 2 ]" 1
1615 1 89 TRP H 1 100 LEU QB . . 4.100 3.682 3.472 3.911 . 0 0 "[ . 1 . 2 ]" 1
1616 1 89 TRP H 1 100 LEU QD . . 4.910 4.988 4.817 5.174 0.264 13 0 "[ . 1 . 2 ]" 1
1617 1 89 TRP HA 1 100 LEU QB . . 5.770 5.128 4.894 5.303 . 0 0 "[ . 1 . 2 ]" 1
1618 1 89 TRP QB 1 90 ARG H . . 3.890 2.884 2.472 3.275 . 0 0 "[ . 1 . 2 ]" 1
1619 1 89 TRP QB 1 100 LEU H . . 4.280 3.116 2.829 3.412 . 0 0 "[ . 1 . 2 ]" 1
1620 1 89 TRP QB 1 100 LEU QB . . 3.880 2.473 2.211 2.752 . 0 0 "[ . 1 . 2 ]" 1
1621 1 89 TRP QB 1 100 LEU QD . . 4.460 3.667 3.397 3.881 . 0 0 "[ . 1 . 2 ]" 1
1622 1 89 TRP HD1 1 100 LEU QD . . 4.370 4.496 4.281 4.698 0.328 13 0 "[ . 1 . 2 ]" 1
1623 1 89 TRP HE1 1 100 LEU QD . . 5.220 5.954 5.719 6.098 0.878 13 21 [****.*******+******-**] 1
1624 1 90 ARG H 1 90 ARG QB . . 3.440 2.330 2.216 2.431 . 0 0 "[ . 1 . 2 ]" 1
1625 1 90 ARG HA 1 90 ARG QD . . 3.850 3.925 3.322 4.205 0.355 12 0 "[ . 1 . 2 ]" 1
1626 1 90 ARG QB 1 90 ARG QD . . 2.780 2.166 2.049 2.568 . 0 0 "[ . 1 . 2 ]" 1
1627 1 90 ARG QB 1 91 LEU H . . 3.960 3.856 3.415 3.965 0.005 14 0 "[ . 1 . 2 ]" 1
1628 1 90 ARG QG 1 99 GLN HA . . 5.050 4.461 3.154 5.144 0.094 12 0 "[ . 1 . 2 ]" 1
1629 1 91 LEU HG 1 100 LEU QD . . 4.800 2.448 2.059 2.796 . 0 0 "[ . 1 . 2 ]" 1
1630 1 95 GLU HA 1 96 GLY QA . . 5.690 4.232 4.095 4.263 . 0 0 "[ . 1 . 2 ]" 1
1631 1 96 GLY QA 1 97 ALA H . . 2.760 2.142 2.088 2.268 . 0 0 "[ . 1 . 2 ]" 1
1632 1 96 GLY QA 1 97 ALA MB . . 4.180 3.607 3.490 3.771 . 0 0 "[ . 1 . 2 ]" 1
1633 1 98 TYR QB 1 100 LEU QD . . 5.270 3.674 3.426 4.000 . 0 0 "[ . 1 . 2 ]" 1
1634 1 99 GLN QE 1 101 ARG QD . . 4.640 3.566 2.656 4.553 . 0 0 "[ . 1 . 2 ]" 1
1635 1 100 LEU H 1 100 LEU QB . . 3.400 2.281 2.175 2.356 . 0 0 "[ . 1 . 2 ]" 1
1636 1 100 LEU H 1 100 LEU QD . . 4.500 3.534 3.394 3.809 . 0 0 "[ . 1 . 2 ]" 1
1637 1 100 LEU QB 1 101 ARG H . . 4.250 3.489 3.283 3.656 . 0 0 "[ . 1 . 2 ]" 1
1638 1 100 LEU QD 1 101 ARG H . . 3.950 3.327 2.677 3.585 . 0 0 "[ . 1 . 2 ]" 1
1639 1 100 LEU QD 1 102 CYS HA . . 5.160 5.102 4.205 5.431 0.271 16 0 "[ . 1 . 2 ]" 1
1640 1 101 ARG H 1 101 ARG QG . . 3.570 3.973 3.832 4.058 0.488 8 0 "[ . 1 . 2 ]" 1
1641 1 101 ARG HA 1 101 ARG QD . . 4.420 4.002 3.842 4.358 . 0 0 "[ . 1 . 2 ]" 1
1642 1 101 ARG HA 1 103 LEU QD . . 4.680 4.591 4.028 5.037 0.357 9 0 "[ . 1 . 2 ]" 1
1643 1 101 ARG QB 1 101 ARG QD . . 3.380 2.296 2.108 2.423 . 0 0 "[ . 1 . 2 ]" 1
1644 1 101 ARG QG 1 102 CYS H . . 3.750 2.905 2.613 3.244 . 0 0 "[ . 1 . 2 ]" 1
1645 1 101 ARG QG 1 103 LEU QD . . 3.910 2.159 1.906 2.546 . 0 0 "[ . 1 . 2 ]" 1
1646 1 101 ARG QD 1 103 LEU QD . . 3.310 2.526 2.094 3.091 . 0 0 "[ . 1 . 2 ]" 1
1647 1 102 CYS H 1 102 CYS QB . . 3.670 2.571 2.335 2.801 . 0 0 "[ . 1 . 2 ]" 1
1648 1 103 LEU H 1 103 LEU QD . . 3.790 3.376 2.817 3.599 . 0 0 "[ . 1 . 2 ]" 1
1649 1 103 LEU QD 1 104 GLY H . . 3.770 3.599 3.194 4.203 0.433 8 0 "[ . 1 . 2 ]" 1
1650 1 106 VAL HB 1 107 SER QB . . 4.690 5.100 4.244 6.030 1.340 11 11 "[ **-. *+* *.** *2* ]" 1
1651 1 107 SER QB 1 108 ALA H . . 3.770 3.116 1.861 3.994 0.224 15 0 "[ . 1 . 2 ]" 1
1652 1 107 SER QB 1 108 ALA MB . . 4.470 4.447 3.570 4.982 0.512 15 2 "[ . 1 - + 2 ]" 1
1653 1 110 GLY QA 1 111 GLU H . . 3.110 2.304 2.042 2.850 . 0 0 "[ . 1 . 2 ]" 1
1654 1 111 GLU H 1 111 GLU QB . . 3.460 2.639 2.266 3.391 . 0 0 "[ . 1 . 2 ]" 1
1655 1 111 GLU H 1 111 GLU QG . . 4.030 2.954 2.034 4.192 0.162 12 0 "[ . 1 . 2 ]" 1
1656 1 113 GLU QB 1 113 GLU QG . . 2.340 2.069 1.975 2.098 . 0 0 "[ . 1 . 2 ]" 1
1657 1 39 GLN HA 1 41 ASP H . . 4.200 4.353 3.735 4.581 0.381 1 0 "[ . 1 . 2 ]" 1
1658 1 40 ALA MB 1 50 PHE QE . . 3.560 3.379 3.036 3.652 0.092 6 0 "[ . 1 . 2 ]" 1
1659 1 86 GLY HA3 1 87 GLU HA . . 5.630 4.498 4.413 4.572 . 0 0 "[ . 1 . 2 ]" 1
1660 1 37 LEU HA 1 40 ALA H . . 3.550 2.886 2.687 3.155 . 0 0 "[ . 1 . 2 ]" 1
1661 1 14 LEU HA 1 32 LEU QD . . 5.050 3.807 3.502 4.135 . 0 0 "[ . 1 . 2 ]" 1
1662 1 80 ALA MB 1 83 GLN QE . . 4.830 5.643 5.520 5.839 1.009 5 22 [****+******-**********] 1
1663 1 11 LEU HG 1 56 VAL QG . . 3.950 4.911 3.799 5.662 1.712 15 16 "[*-* * ** ** * +*** ***]" 1
1664 1 83 GLN QB 1 83 GLN QE . . 3.510 3.385 3.338 3.431 . 0 0 "[ . 1 . 2 ]" 1
1665 1 30 PHE HA 1 59 VAL QG . . 3.910 3.401 3.049 3.913 0.003 19 0 "[ . 1 . 2 ]" 1
1666 1 22 ILE QG 1 72 PHE QE . . 4.370 3.806 3.465 4.193 . 0 0 "[ . 1 . 2 ]" 1
1667 1 8 ARG HB3 1 9 TYR H . . 3.950 4.123 3.702 4.418 0.468 13 0 "[ . 1 . 2 ]" 1
1668 1 90 ARG HA 1 92 THR MG . . 5.640 5.343 4.110 6.836 1.196 9 4 "[ . +1 -*. * 2 ]" 1
1669 1 91 LEU QB 1 98 TYR QB . . 4.630 2.247 1.985 2.686 . 0 0 "[ . 1 . 2 ]" 1
1670 1 43 ALA HA 1 46 ALA H . . 3.760 3.324 3.172 3.554 . 0 0 "[ . 1 . 2 ]" 1
1671 1 20 LEU QB 1 30 PHE QB . . 4.500 3.080 2.633 3.630 . 0 0 "[ . 1 . 2 ]" 1
1672 1 39 GLN H 1 40 ALA MB . . 3.810 4.158 4.084 4.264 0.454 6 0 "[ . 1 . 2 ]" 1
1673 1 40 ALA H 1 43 ALA MB . . 4.200 4.925 4.483 5.136 0.936 4 21 "[***+* ************-***]" 1
1674 1 40 ALA MB 1 50 PHE HZ . . 3.460 4.693 4.405 5.069 1.609 14 22 [************-+********] 1
1675 1 83 GLN QG 1 88 SER H . . 5.170 4.522 4.082 4.941 . 0 0 "[ . 1 . 2 ]" 1
1676 1 91 LEU H 1 92 THR MG . . 4.580 5.070 4.189 6.225 1.645 9 11 "[ ** .* +* **- * *2 *]" 1
1677 1 83 GLN QG 1 90 ARG HA . . 4.870 4.152 3.689 4.581 . 0 0 "[ . 1 . 2 ]" 1
1678 1 75 ASN HA 1 78 MET H . . 3.400 3.326 2.644 3.556 0.156 2 0 "[ . 1 . 2 ]" 1
1679 1 20 LEU HG 1 21 GLU H . . 4.490 3.893 2.779 5.124 0.634 19 2 "[ . 1 . +- ]" 1
1680 1 20 LEU QD 1 100 LEU QD . . 3.150 1.978 1.787 2.253 . 0 0 "[ . 1 . 2 ]" 1
1681 1 25 LEU QD 1 63 ASP H . . 5.000 4.427 3.867 4.952 . 0 0 "[ . 1 . 2 ]" 1
1682 1 55 TRP HA 1 74 TYR H . . 3.220 3.495 3.089 3.819 0.599 15 2 "[ . 1- + 2 ]" 1
1683 1 11 LEU HA 1 32 LEU QD . . 5.330 4.917 3.866 5.386 0.056 5 0 "[ . 1 . 2 ]" 1
1684 1 75 ASN HA 1 77 VAL H . . 4.260 4.340 3.898 4.643 0.383 2 0 "[ . 1 . 2 ]" 1
1685 1 82 PRO QB 1 89 TRP HE3 . . 4.110 3.815 3.534 4.313 0.203 10 0 "[ . 1 . 2 ]" 1
1686 1 22 ILE MG 1 59 VAL HB . . 5.790 4.013 3.171 5.615 . 0 0 "[ . 1 . 2 ]" 1
1687 1 33 ASN H 1 36 LEU QB . . 4.770 4.699 4.493 4.914 0.144 7 0 "[ . 1 . 2 ]" 1
1688 1 20 LEU HG 1 100 LEU QD . . 4.070 3.059 2.051 4.555 0.485 19 0 "[ . 1 . 2 ]" 1
1689 1 21 GLU QB 1 103 LEU QD . . 3.460 2.842 1.916 3.856 0.396 14 0 "[ . 1 . 2 ]" 1
1690 1 51 ALA HA 1 74 TYR QE . . 3.560 2.671 2.216 3.389 . 0 0 "[ . 1 . 2 ]" 1
1691 1 17 ALA MB 1 19 MET HA . . 4.550 4.688 4.253 4.992 0.442 18 0 "[ . 1 . 2 ]" 1
1692 1 36 LEU HG 1 39 GLN QB . . 5.130 4.020 3.813 4.196 . 0 0 "[ . 1 . 2 ]" 1
1693 1 20 LEU QD 1 101 ARG H . . 4.660 3.304 2.881 4.164 . 0 0 "[ . 1 . 2 ]" 1
1694 1 31 GLU H 1 59 VAL QG . . 4.240 4.022 3.412 4.432 0.192 1 0 "[ . 1 . 2 ]" 1
1695 1 83 GLN QB 1 99 GLN QE . . 4.740 5.502 4.057 6.766 2.026 5 13 "[ * +* - 1****.* *** *]" 1
1696 1 80 ALA MB 1 89 TRP HZ3 . . 4.470 4.369 3.625 4.871 0.401 17 0 "[ . 1 . 2 ]" 1
1697 1 22 ILE MG 1 72 PHE QE . . 4.470 4.357 4.134 4.565 0.095 17 0 "[ . 1 . 2 ]" 1
1698 1 31 GLU H 1 60 GLU H . . 4.460 4.857 4.555 5.258 0.798 5 6 "[ + * 1 * .* - *]" 1
1699 1 39 GLN H 1 42 LEU QB . . 4.450 4.327 4.230 4.730 0.280 6 0 "[ . 1 . 2 ]" 1
1700 1 19 MET HA 1 20 LEU H . . 3.880 2.239 2.162 2.363 . 0 0 "[ . 1 . 2 ]" 1
1701 1 82 PRO HA 1 83 GLN QB . . 5.520 4.420 4.331 4.505 . 0 0 "[ . 1 . 2 ]" 1
1702 1 40 ALA H 1 41 ASP HA . . 4.330 5.231 5.063 5.320 0.990 8 22 [*****-*+**************] 1
1703 1 77 VAL MG1 1 80 ALA MB . . 4.440 3.561 3.374 3.914 . 0 0 "[ . 1 . 2 ]" 1
1704 1 80 ALA MB 1 91 LEU H . . 3.970 4.470 4.196 4.720 0.750 15 10 "[ ** * * 1* -+* ** ]" 1
1705 1 22 ILE QG 1 72 PHE HZ . . 4.960 3.721 3.262 3.966 . 0 0 "[ . 1 . 2 ]" 1
1706 1 36 LEU HG 1 39 GLN QG . . 4.920 5.458 5.164 5.781 0.861 19 14 "[*** . ***** **.*- +2* ]" 1
1707 1 17 ALA MB 1 103 LEU QB . . 3.830 4.610 4.100 5.217 1.387 13 18 "[*** ***- 1 *+*********]" 1
1708 1 43 ALA MB 1 49 PRO HD2 . . 4.890 5.381 5.010 5.690 0.800 9 10 "[* .* *+* * *. -*2 *]" 1
1709 1 33 ASN H 1 56 VAL HB . . 3.840 4.883 4.622 5.162 1.322 11 22 [*-********+***********] 1
1710 1 83 GLN QB 1 88 SER HA . . 5.450 4.625 4.357 4.945 . 0 0 "[ . 1 . 2 ]" 1
1711 1 74 TYR QE 1 75 ASN H . . 3.980 5.755 5.459 5.958 1.978 19 22 [******************+**-] 1
1712 1 97 ALA MB 1 98 TYR QD . . 4.550 4.748 4.566 4.913 0.363 14 0 "[ . 1 . 2 ]" 1
1713 1 51 ALA HA 1 74 TYR QD . . 3.600 2.653 2.223 3.278 . 0 0 "[ . 1 . 2 ]" 1
1714 1 41 ASP QB 1 43 ALA H . . 4.510 4.875 4.517 5.006 0.496 21 0 "[ . 1 . 2 ]" 1
1715 1 44 ALA MB 1 47 ASP H . . 4.130 4.516 4.394 4.605 0.475 2 0 "[ . 1 . 2 ]" 1
1716 1 93 THR HA 1 96 GLY H . . 4.340 4.612 4.379 4.819 0.479 2 0 "[ . 1 . 2 ]" 1
1717 1 89 TRP HE1 1 100 LEU QB . . 4.960 5.309 5.088 5.589 0.629 5 1 "[ + 1 . 2 ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 82
_Distance_constraint_stats_list.Viol_count 1254
_Distance_constraint_stats_list.Viol_total 7242.198
_Distance_constraint_stats_list.Viol_max 1.576
_Distance_constraint_stats_list.Viol_rms 0.2480
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1825
_Distance_constraint_stats_list.Viol_average_violations_only 0.2625
_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 10 LEU 24.505 0.870 14 21 "[ ************+**-*****]"
1 11 LEU 33.954 1.317 22 18 "[* *-**** **** ** ****+]"
1 13 GLU 21.030 0.870 14 21 "[ ************+**-*****]"
1 14 LEU 32.961 1.201 15 20 "[******** *****+-**** *]"
1 15 GLU 33.954 1.317 22 18 "[* *-**** **** ** ****+]"
1 17 ALA 29.487 1.201 15 20 "[******** *****+-**** *]"
1 19 MET 3.443 0.739 11 1 "[ . 1+ . 2 ]"
1 21 GLU 2.334 0.408 6 0 "[ . 1 . 2 ]"
1 22 ILE 2.926 0.402 13 0 "[ . 1 . 2 ]"
1 23 ASP 0.540 0.241 11 0 "[ . 1 . 2 ]"
1 25 LEU 2.926 0.402 13 0 "[ . 1 . 2 ]"
1 28 TRP 14.752 1.207 20 9 "[**- * 1 * . **+ *]"
1 29 ARG 3.058 0.381 8 0 "[ . 1 . 2 ]"
1 31 GLU 4.295 0.269 13 0 "[ . 1 . 2 ]"
1 32 LEU 15.581 0.974 15 20 "[********** * *+**-****]"
1 33 ASN 9.829 0.376 17 0 "[ . 1 . 2 ]"
1 34 GLU 20.569 0.974 15 20 "[********** * *+**-****]"
1 36 LEU 4.046 0.301 19 0 "[ . 1 . 2 ]"
1 37 LEU 12.584 0.633 6 1 "[ .+ 1 . 2 ]"
1 38 ASP 8.602 0.436 15 0 "[ . 1 . 2 ]"
1 39 GLN 4.004 0.448 3 0 "[ . 1 . 2 ]"
1 40 ALA 10.806 0.426 21 0 "[ . 1 . 2 ]"
1 41 ASP 10.314 0.633 6 1 "[ .+ 1 . 2 ]"
1 42 LEU 3.614 0.297 22 0 "[ . 1 . 2 ]"
1 43 ALA 12.545 0.471 10 0 "[ . 1 . 2 ]"
1 44 ALA 20.149 0.559 12 3 "[ - . 1 + . 2* ]"
1 45 GLU 2.110 0.365 6 0 "[ . 1 . 2 ]"
1 46 ALA 8.158 0.471 10 0 "[ . 1 . 2 ]"
1 47 ASP 13.389 0.559 12 3 "[ - . 1 + . 2* ]"
1 48 GLN 0.383 0.208 22 0 "[ . 1 . 2 ]"
1 52 SER 9.462 0.710 22 6 "[ . -1 *. *** +]"
1 54 ASP 0.390 0.134 11 0 "[ . 1 . 2 ]"
1 56 VAL 6.255 0.364 15 0 "[ . 1 . 2 ]"
1 57 LEU 17.102 0.701 12 4 "[ - . * 1 + * 2 ]"
1 58 ALA 4.295 0.269 13 0 "[ . 1 . 2 ]"
1 59 VAL 3.450 0.250 8 0 "[ . 1 . 2 ]"
1 60 GLU 17.810 1.207 20 9 "[**- * 1 * . **+ *]"
1 61 SER 3.661 0.888 9 2 "[ . +1 . - ]"
1 68 ARG 3.661 0.888 9 2 "[ . +1 . - ]"
1 70 TRP 3.450 0.250 8 0 "[ . 1 . 2 ]"
1 72 PHE 17.908 0.701 12 4 "[ - . * 1 + * 2 ]"
1 73 SER 9.970 0.516 15 1 "[ . 1 + 2 ]"
1 74 TYR 6.383 0.428 17 0 "[ . 1 . 2 ]"
1 75 ASN 20.355 0.710 22 8 "[ . *-1 *.* *** +]"
1 77 VAL 9.970 0.516 15 1 "[ . 1 + 2 ]"
1 78 MET 5.993 0.428 17 0 "[ . 1 . 2 ]"
1 79 GLU 10.893 0.528 8 3 "[ . + 1 .- *2 ]"
1 81 GLU 8.434 0.514 12 1 "[ . 1 + . 2 ]"
1 83 GLN 19.094 0.819 5 4 "[ - + 1* *. 2 ]"
1 86 GLY 7.903 0.511 3 1 "[ + . 1 . 2 ]"
1 88 SER 11.191 0.819 5 4 "[ - + 1* *. 2 ]"
1 90 ARG 8.434 0.514 12 1 "[ . 1 + . 2 ]"
1 91 LEU 1.456 0.160 15 0 "[ . 1 . 2 ]"
1 93 THR 38.121 1.576 2 22 [*+**-*****************]
1 96 GLY 38.121 1.576 2 22 [*+**-*****************]
1 98 TYR 1.456 0.160 15 0 "[ . 1 . 2 ]"
1 99 GLN 0.540 0.241 11 0 "[ . 1 . 2 ]"
1 101 ARG 2.334 0.408 6 0 "[ . 1 . 2 ]"
1 103 LEU 3.443 0.739 11 1 "[ . 1+ . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 10 LEU O 1 13 GLU H . . 2.000 2.680 2.485 2.870 0.870 14 21 "[ ************+**-*****]" 2
2 1 10 LEU O 1 13 GLU N . . 3.000 3.276 3.182 3.422 0.422 14 0 "[ . 1 . 2 ]" 2
3 1 10 LEU O 1 14 LEU H . . 2.000 2.127 1.976 2.324 0.324 10 0 "[ . 1 . 2 ]" 2
4 1 10 LEU O 1 14 LEU N . . 3.000 3.004 2.875 3.109 0.109 9 0 "[ . 1 . 2 ]" 2
5 1 11 LEU O 1 15 GLU H . . 2.000 2.848 2.251 3.317 1.317 22 18 "[* ***-** **** ** ****+]" 2
6 1 11 LEU O 1 15 GLU N . . 3.000 3.695 3.139 4.119 1.119 22 16 "[* *-* ** **** ** * **+]" 2
7 1 14 LEU O 1 17 ALA H . . 2.000 2.721 2.227 3.201 1.201 15 20 "[*-****** *****+***** *]" 2
8 1 14 LEU O 1 17 ALA N . . 3.000 3.619 3.171 4.003 1.003 15 17 "[* ****** 1* **+-**** *]" 2
9 1 19 MET H 1 103 LEU O . . 2.000 2.063 1.826 2.739 0.739 11 1 "[ . 1+ . 2 ]" 2
10 1 19 MET N 1 103 LEU O . . 3.000 3.004 2.803 3.696 0.696 11 1 "[ . 1+ . 2 ]" 2
11 1 21 GLU H 1 101 ARG O . . 2.000 2.063 1.919 2.408 0.408 6 0 "[ . 1 . 2 ]" 2
12 1 21 GLU N 1 101 ARG O . . 3.000 2.998 2.878 3.257 0.257 6 0 "[ . 1 . 2 ]" 2
13 1 23 ASP H 1 99 GLN O . . 2.000 1.960 1.832 2.241 0.241 11 0 "[ . 1 . 2 ]" 2
14 1 23 ASP N 1 99 GLN O . . 3.000 2.895 2.792 3.069 0.069 11 0 "[ . 1 . 2 ]" 2
15 1 22 ILE O 1 25 LEU H . . 2.000 2.100 1.934 2.402 0.402 13 0 "[ . 1 . 2 ]" 2
16 1 22 ILE O 1 25 LEU N . . 3.000 2.975 2.846 3.138 0.138 13 0 "[ . 1 . 2 ]" 2
17 1 28 TRP H 1 60 GLU O . . 2.000 2.460 2.090 3.207 1.207 20 9 "[**- * 1 * . **+ *]" 2
18 1 28 TRP N 1 60 GLU O . . 3.000 3.197 2.878 3.827 0.827 20 1 "[ . 1 . + ]" 2
19 1 33 ASN H 1 56 VAL O . . 2.000 2.167 2.011 2.364 0.364 15 0 "[ . 1 . 2 ]" 2
20 1 33 ASN N 1 56 VAL O . . 3.000 3.068 2.934 3.216 0.216 2 0 "[ . 1 . 2 ]" 2
21 1 32 LEU O 1 34 GLU H . . 2.000 2.588 2.416 2.974 0.974 15 20 "[********** * *+**-****]" 2
22 1 32 LEU O 1 34 GLU N . . 3.000 3.120 2.985 3.302 0.302 15 0 "[ . 1 . 2 ]" 2
23 1 33 ASN O 1 37 LEU H . . 2.000 2.179 2.017 2.376 0.376 17 0 "[ . 1 . 2 ]" 2
24 1 33 ASN O 1 37 LEU N . . 3.000 2.985 2.871 3.140 0.140 17 0 "[ . 1 . 2 ]" 2
25 1 34 GLU O 1 38 ASP H . . 2.000 2.198 2.072 2.436 0.436 15 0 "[ . 1 . 2 ]" 2
26 1 34 GLU O 1 38 ASP N . . 3.000 2.992 2.879 3.229 0.229 15 0 "[ . 1 . 2 ]" 2
27 1 36 LEU O 1 40 ALA H . . 2.000 2.182 2.065 2.301 0.301 19 0 "[ . 1 . 2 ]" 2
28 1 36 LEU O 1 40 ALA N . . 3.000 2.947 2.893 3.027 0.027 2 0 "[ . 1 . 2 ]" 2
29 1 37 LEU O 1 41 ASP H . . 2.000 2.244 2.130 2.633 0.633 6 1 "[ .+ 1 . 2 ]" 2
30 1 37 LEU O 1 41 ASP N . . 3.000 3.129 3.053 3.205 0.205 14 0 "[ . 1 . 2 ]" 2
31 1 38 ASP O 1 42 LEU H . . 2.000 2.136 1.999 2.297 0.297 22 0 "[ . 1 . 2 ]" 2
32 1 38 ASP O 1 42 LEU N . . 3.000 3.002 2.888 3.168 0.168 22 0 "[ . 1 . 2 ]" 2
33 1 39 GLN O 1 43 ALA H . . 2.000 2.142 2.035 2.448 0.448 3 0 "[ . 1 . 2 ]" 2
34 1 39 GLN O 1 43 ALA N . . 3.000 3.036 2.966 3.218 0.218 4 0 "[ . 1 . 2 ]" 2
35 1 40 ALA O 1 44 ALA H . . 2.000 2.213 2.069 2.426 0.426 21 0 "[ . 1 . 2 ]" 2
36 1 40 ALA O 1 44 ALA N . . 3.000 3.092 2.966 3.305 0.305 21 0 "[ . 1 . 2 ]" 2
37 1 41 ASP O 1 45 GLU H . . 2.000 2.074 1.947 2.365 0.365 6 0 "[ . 1 . 2 ]" 2
38 1 41 ASP O 1 45 GLU N . . 3.000 2.970 2.851 3.255 0.255 6 0 "[ . 1 . 2 ]" 2
39 1 43 ALA O 1 46 ALA H . . 2.000 2.328 2.140 2.471 0.471 10 0 "[ . 1 . 2 ]" 2
40 1 43 ALA O 1 46 ALA N . . 3.000 3.038 2.969 3.143 0.143 20 0 "[ . 1 . 2 ]" 2
41 1 44 ALA O 1 47 ASP H . . 2.000 2.359 2.070 2.559 0.559 12 3 "[ - . 1 + . 2* ]" 2
42 1 44 ALA O 1 47 ASP N . . 3.000 3.246 2.933 3.451 0.451 12 0 "[ . 1 . 2 ]" 2
43 1 43 ALA O 1 48 GLN H . . 2.000 1.948 1.820 2.208 0.208 22 0 "[ . 1 . 2 ]" 2
44 1 43 ALA O 1 48 GLN N . . 3.000 2.856 2.785 2.945 . 0 0 "[ . 1 . 2 ]" 2
45 1 56 VAL H 1 72 PHE O . . 2.000 1.975 1.848 2.169 0.169 6 0 "[ . 1 . 2 ]" 2
46 1 56 VAL N 1 72 PHE O . . 3.000 2.938 2.822 3.146 0.146 6 0 "[ . 1 . 2 ]" 2
47 1 57 LEU H 1 72 PHE O . . 2.000 2.419 2.179 2.701 0.701 12 4 "[ - . * 1 + * 2 ]" 2
48 1 57 LEU N 1 72 PHE O . . 3.000 3.344 3.106 3.646 0.646 12 2 "[ . - 1 + . 2 ]" 2
49 1 31 GLU O 1 58 ALA H . . 2.000 2.113 1.924 2.269 0.269 13 0 "[ . 1 . 2 ]" 2
50 1 31 GLU O 1 58 ALA N . . 3.000 3.065 2.897 3.211 0.211 13 0 "[ . 1 . 2 ]" 2
51 1 59 VAL H 1 70 TRP O . . 2.000 2.048 1.888 2.250 0.250 8 0 "[ . 1 . 2 ]" 2
52 1 59 VAL N 1 70 TRP O . . 3.000 2.998 2.872 3.199 0.199 8 0 "[ . 1 . 2 ]" 2
53 1 29 ARG O 1 60 GLU H . . 2.000 2.071 1.860 2.381 0.381 8 0 "[ . 1 . 2 ]" 2
54 1 29 ARG O 1 60 GLU N . . 3.000 2.996 2.835 3.360 0.360 8 0 "[ . 1 . 2 ]" 2
55 1 61 SER O 1 68 ARG H . . 2.000 2.075 1.867 2.888 0.888 9 2 "[ . +1 . - ]" 2
56 1 61 SER O 1 68 ARG N . . 3.000 3.009 2.820 3.617 0.617 9 2 "[ . +1 . - ]" 2
57 1 59 VAL O 1 70 TRP H . . 2.000 2.009 1.828 2.193 0.193 2 0 "[ . 1 . 2 ]" 2
58 1 59 VAL O 1 70 TRP N . . 3.000 2.955 2.806 3.132 0.132 2 0 "[ . 1 . 2 ]" 2
59 1 57 LEU O 1 72 PHE H . . 2.000 1.950 1.855 2.101 0.101 11 0 "[ . 1 . 2 ]" 2
60 1 57 LEU O 1 72 PHE N . . 3.000 2.905 2.822 3.014 0.014 11 0 "[ . 1 . 2 ]" 2
61 1 54 ASP O 1 74 TYR H . . 2.000 1.970 1.847 2.134 0.134 11 0 "[ . 1 . 2 ]" 2
62 1 54 ASP O 1 74 TYR N . . 3.000 2.909 2.821 3.065 0.065 11 0 "[ . 1 . 2 ]" 2
63 1 52 SER O 1 75 ASN H . . 2.000 2.384 2.120 2.710 0.710 22 6 "[ . -1 *. *** +]" 2
64 1 52 SER O 1 75 ASN N . . 3.000 3.000 2.870 3.478 0.478 22 0 "[ . 1 . 2 ]" 2
65 1 73 SER O 1 77 VAL H . . 2.000 2.280 2.081 2.516 0.516 15 1 "[ . 1 + 2 ]" 2
66 1 73 SER O 1 77 VAL N . . 3.000 3.173 2.988 3.380 0.380 15 0 "[ . 1 . 2 ]" 2
67 1 74 TYR O 1 78 MET H . . 2.000 2.226 2.111 2.428 0.428 17 0 "[ . 1 . 2 ]" 2
68 1 74 TYR O 1 78 MET N . . 3.000 3.038 2.928 3.217 0.217 17 0 "[ . 1 . 2 ]" 2
69 1 75 ASN O 1 79 GLU H . . 2.000 2.320 2.148 2.528 0.528 8 3 "[ . + 1 .- *2 ]" 2
70 1 75 ASN O 1 79 GLU N . . 3.000 3.175 3.025 3.387 0.387 19 0 "[ . 1 . 2 ]" 2
71 1 81 GLU H 1 90 ARG O . . 2.000 2.221 2.011 2.514 0.514 12 1 "[ . 1 + . 2 ]" 2
72 1 81 GLU N 1 90 ARG O . . 3.000 3.161 2.983 3.382 0.382 12 0 "[ . 1 . 2 ]" 2
73 1 83 GLN H 1 88 SER O . . 2.000 2.293 1.982 2.819 0.819 5 4 "[ - + 1* *. 2 ]" 2
74 1 83 GLN N 1 88 SER O . . 3.000 3.209 2.951 3.598 0.598 5 4 "[ - + 1* *. 2 ]" 2
75 1 83 GLN O 1 86 GLY H . . 2.000 2.236 2.091 2.511 0.511 3 1 "[ + . 1 . 2 ]" 2
76 1 83 GLN O 1 86 GLY N . . 3.000 3.119 2.929 3.418 0.418 3 0 "[ . 1 . 2 ]" 2
77 1 91 LEU H 1 98 TYR O . . 2.000 1.987 1.858 2.115 0.115 12 0 "[ . 1 . 2 ]" 2
78 1 91 LEU N 1 98 TYR O . . 3.000 2.921 2.816 3.061 0.061 12 0 "[ . 1 . 2 ]" 2
79 1 93 THR O 1 96 GLY H . . 2.000 3.103 2.521 3.576 1.576 2 22 [*+**-*****************] 2
80 1 93 THR O 1 96 GLY N . . 3.000 3.629 3.317 3.935 0.935 21 16 "[ ** . ***-********2+*]" 2
81 1 91 LEU O 1 98 TYR H . . 2.000 2.000 1.884 2.160 0.160 15 0 "[ . 1 . 2 ]" 2
82 1 91 LEU O 1 98 TYR N . . 3.000 2.921 2.839 3.020 0.020 22 0 "[ . 1 . 2 ]" 2
stop_
save_
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