NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
608326 |
5t3y   |
30161 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5t3y
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 1843
_Distance_constraint_stats_list.Viol_count 1861
_Distance_constraint_stats_list.Viol_total 813.838
_Distance_constraint_stats_list.Viol_max 0.373
_Distance_constraint_stats_list.Viol_rms 0.0097
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0219
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ILE 0.401 0.159 14 0 "[ . 1 . 2]"
1 3 ARG 0.297 0.159 14 0 "[ . 1 . 2]"
1 4 THR 0.071 0.017 14 0 "[ . 1 . 2]"
1 5 ILE 0.261 0.013 6 0 "[ . 1 . 2]"
1 6 LEU 0.251 0.031 18 0 "[ . 1 . 2]"
1 7 ALA 0.305 0.038 18 0 "[ . 1 . 2]"
1 8 ILE 0.121 0.036 18 0 "[ . 1 . 2]"
1 9 ASP 0.049 0.043 5 0 "[ . 1 . 2]"
1 10 ASP 0.152 0.035 6 0 "[ . 1 . 2]"
1 11 SER 0.059 0.016 5 0 "[ . 1 . 2]"
1 12 ALA 0.007 0.004 20 0 "[ . 1 . 2]"
1 13 THR 0.031 0.005 2 0 "[ . 1 . 2]"
1 14 MET 0.357 0.053 6 0 "[ . 1 . 2]"
1 15 ARG 0.319 0.096 5 0 "[ . 1 . 2]"
1 16 ALA 0.354 0.030 6 0 "[ . 1 . 2]"
1 17 LEU 0.420 0.027 5 0 "[ . 1 . 2]"
1 18 LEU 1.130 0.217 11 0 "[ . 1 . 2]"
1 19 HIS 1.331 0.217 11 0 "[ . 1 . 2]"
1 20 ALA 0.165 0.030 2 0 "[ . 1 . 2]"
1 21 THR 0.803 0.085 17 0 "[ . 1 . 2]"
1 22 LEU 0.245 0.033 10 0 "[ . 1 . 2]"
1 23 ALA 0.832 0.053 8 0 "[ . 1 . 2]"
1 24 GLN 1.305 0.288 17 0 "[ . 1 . 2]"
1 25 ALA 2.015 0.288 17 0 "[ . 1 . 2]"
1 26 GLY 0.141 0.040 12 0 "[ . 1 . 2]"
1 27 TYR 0.491 0.034 17 0 "[ . 1 . 2]"
1 28 GLU 0.227 0.034 17 0 "[ . 1 . 2]"
1 29 VAL 0.732 0.055 18 0 "[ . 1 . 2]"
1 30 THR 0.267 0.038 18 0 "[ . 1 . 2]"
1 31 VAL 0.657 0.082 18 0 "[ . 1 . 2]"
1 32 ALA 0.229 0.021 5 0 "[ . 1 . 2]"
1 33 ALA 0.007 0.005 14 0 "[ . 1 . 2]"
1 34 ASP 0.110 0.030 18 0 "[ . 1 . 2]"
1 35 GLY 0.091 0.013 2 0 "[ . 1 . 2]"
1 36 GLU 0.349 0.021 20 0 "[ . 1 . 2]"
1 37 ALA 0.138 0.021 20 0 "[ . 1 . 2]"
1 38 GLY 0.147 0.030 18 0 "[ . 1 . 2]"
1 39 PHE 0.787 0.053 18 0 "[ . 1 . 2]"
1 40 ASP 0.052 0.014 3 0 "[ . 1 . 2]"
1 41 LEU 0.047 0.012 19 0 "[ . 1 . 2]"
1 42 ALA 0.578 0.040 7 0 "[ . 1 . 2]"
1 43 ALA 0.150 0.032 18 0 "[ . 1 . 2]"
1 44 THR 3.716 0.185 19 0 "[ . 1 . 2]"
1 45 THR 3.748 0.185 19 0 "[ . 1 . 2]"
1 46 ALA 0.119 0.069 8 0 "[ . 1 . 2]"
1 47 TYR 0.386 0.028 19 0 "[ . 1 . 2]"
1 48 ASP 0.061 0.023 14 0 "[ . 1 . 2]"
1 49 LEU 0.256 0.017 5 0 "[ . 1 . 2]"
1 50 VAL 0.282 0.025 8 0 "[ . 1 . 2]"
1 51 LEU 0.149 0.032 7 0 "[ . 1 . 2]"
1 52 THR 0.144 0.022 15 0 "[ . 1 . 2]"
1 53 ASP 0.078 0.062 15 0 "[ . 1 . 2]"
1 59 LYS 0.009 0.008 14 0 "[ . 1 . 2]"
1 62 LEU 0.473 0.048 13 0 "[ . 1 . 2]"
1 65 ILE 0.771 0.059 18 0 "[ . 1 . 2]"
1 66 ALA 0.359 0.059 18 0 "[ . 1 . 2]"
1 67 ALA 0.004 0.004 2 0 "[ . 1 . 2]"
1 68 LEU 0.808 0.053 18 0 "[ . 1 . 2]"
1 69 ARG 0.044 0.030 18 0 "[ . 1 . 2]"
1 70 GLN 0.245 0.047 19 0 "[ . 1 . 2]"
1 71 LEU 0.705 0.197 19 0 "[ . 1 . 2]"
1 72 SER 0.434 0.197 19 0 "[ . 1 . 2]"
1 73 ALA 1.546 0.076 20 0 "[ . 1 . 2]"
1 74 TYR 2.345 0.076 20 0 "[ . 1 . 2]"
1 75 ALA 0.002 0.002 20 0 "[ . 1 . 2]"
1 76 ASP 0.039 0.014 18 0 "[ . 1 . 2]"
1 77 THR 0.504 0.046 6 0 "[ . 1 . 2]"
1 78 PRO 0.227 0.025 7 0 "[ . 1 . 2]"
1 79 ILE 0.692 0.084 13 0 "[ . 1 . 2]"
1 80 LEU 2.294 0.115 16 0 "[ . 1 . 2]"
1 81 VAL 0.570 0.114 15 0 "[ . 1 . 2]"
1 82 LEU 0.350 0.062 15 0 "[ . 1 . 2]"
1 83 THR 1.645 0.111 20 0 "[ . 1 . 2]"
1 84 THR 0.001 0.001 10 0 "[ . 1 . 2]"
1 85 GLU 0.548 0.151 8 0 "[ . 1 . 2]"
1 86 GLY 0.030 0.008 19 0 "[ . 1 . 2]"
1 87 SER 0.421 0.203 7 0 "[ . 1 . 2]"
1 88 ASP 0.205 0.077 5 0 "[ . 1 . 2]"
1 89 ALA 0.022 0.016 12 0 "[ . 1 . 2]"
1 90 PHE 0.096 0.044 7 0 "[ . 1 . 2]"
1 91 LYS 0.469 0.135 5 0 "[ . 1 . 2]"
1 92 ALA 0.021 0.020 5 0 "[ . 1 . 2]"
1 93 ALA 0.043 0.019 5 0 "[ . 1 . 2]"
1 94 ALA 0.315 0.037 5 0 "[ . 1 . 2]"
1 95 ARG 0.676 0.035 7 0 "[ . 1 . 2]"
1 96 ASP 0.701 0.035 7 0 "[ . 1 . 2]"
1 97 ALA 0.075 0.018 5 0 "[ . 1 . 2]"
1 98 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 ALA 0.424 0.026 5 0 "[ . 1 . 2]"
1 100 THR 0.280 0.025 7 0 "[ . 1 . 2]"
1 101 GLY 0.875 0.052 18 0 "[ . 1 . 2]"
1 102 TRP 7.372 0.216 20 0 "[ . 1 . 2]"
1 103 ILE 7.169 0.290 10 0 "[ . 1 . 2]"
1 104 GLU 2.077 0.130 3 0 "[ . 1 . 2]"
1 105 LYS 2.575 0.328 17 0 "[ . 1 . 2]"
1 106 PRO 1.468 0.328 17 0 "[ . 1 . 2]"
1 107 ILE 1.133 0.077 13 0 "[ . 1 . 2]"
1 108 ASP 3.045 0.126 14 0 "[ . 1 . 2]"
1 109 PRO 2.663 0.126 14 0 "[ . 1 . 2]"
1 110 GLY 0.331 0.043 17 0 "[ . 1 . 2]"
1 111 VAL 0.322 0.029 19 0 "[ . 1 . 2]"
1 112 LEU 0.529 0.043 15 0 "[ . 1 . 2]"
1 113 VAL 0.194 0.016 20 0 "[ . 1 . 2]"
1 114 GLU 0.103 0.029 19 0 "[ . 1 . 2]"
1 115 LEU 0.366 0.063 13 0 "[ . 1 . 2]"
1 116 VAL 0.054 0.015 7 0 "[ . 1 . 2]"
1 117 ALA 0.005 0.003 15 0 "[ . 1 . 2]"
1 118 THR 0.083 0.023 12 0 "[ . 1 . 2]"
1 119 LEU 0.030 0.007 13 0 "[ . 1 . 2]"
1 120 SER 0.094 0.024 19 0 "[ . 1 . 2]"
1 121 GLU 0.483 0.191 19 0 "[ . 1 . 2]"
1 122 PRO 0.014 0.012 19 0 "[ . 1 . 2]"
1 123 ALA 0.548 0.373 19 0 "[ . 1 . 2]"
1 124 ALA 0.534 0.373 19 0 "[ . 1 . 2]"
1 125 ASN 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 1 MET HA 1 2 ILE H . . 2.740 2.241 2.143 2.585 . 0 0 "[ . 1 . 2]" 1
2 1 2 ILE H 1 2 ILE HB . . 2.940 2.592 2.534 2.644 . 0 0 "[ . 1 . 2]" 1
3 1 2 ILE H 1 2 ILE MD . . 3.440 3.152 2.970 3.498 0.058 14 0 "[ . 1 . 2]" 1
4 1 2 ILE H 1 2 ILE QG . . 3.240 2.021 1.941 2.372 . 0 0 "[ . 1 . 2]" 1
5 1 2 ILE H 1 2 ILE MG . . 3.790 3.767 3.763 3.795 0.005 7 0 "[ . 1 . 2]" 1
6 1 2 ILE H 1 3 ARG H . . 4.630 4.423 4.268 4.632 0.002 14 0 "[ . 1 . 2]" 1
7 1 2 ILE H 1 48 ASP QB . . 5.270 4.929 4.614 5.112 . 0 0 "[ . 1 . 2]" 1
8 1 2 ILE H 1 120 SER QB . . 4.780 3.427 2.856 4.190 . 0 0 "[ . 1 . 2]" 1
9 1 2 ILE HA 1 2 ILE MD . . 4.040 2.141 1.976 3.835 . 0 0 "[ . 1 . 2]" 1
10 1 2 ILE HA 1 2 ILE HG12 . . 4.170 3.061 2.544 3.173 . 0 0 "[ . 1 . 2]" 1
11 1 2 ILE HA 1 2 ILE HG13 . . 4.170 3.701 2.954 3.787 . 0 0 "[ . 1 . 2]" 1
12 1 2 ILE HA 1 2 ILE MG . . 3.380 2.310 2.209 2.395 . 0 0 "[ . 1 . 2]" 1
13 1 2 ILE HA 1 3 ARG H . . 3.290 2.166 2.140 2.248 . 0 0 "[ . 1 . 2]" 1
14 1 2 ILE HA 1 3 ARG HB2 . . 4.490 4.361 4.220 4.492 0.002 6 0 "[ . 1 . 2]" 1
15 1 2 ILE HA 1 4 THR H . . 4.240 3.974 3.670 4.240 . 0 0 "[ . 1 . 2]" 1
16 1 2 ILE HA 1 48 ASP H . . 5.240 5.164 4.877 5.243 0.003 20 0 "[ . 1 . 2]" 1
17 1 2 ILE HA 1 48 ASP HB2 . . 4.070 3.030 2.780 3.150 . 0 0 "[ . 1 . 2]" 1
18 1 2 ILE HA 1 48 ASP QB . . 3.530 2.607 2.268 2.780 . 0 0 "[ . 1 . 2]" 1
19 1 2 ILE HA 1 48 ASP HB3 . . 4.070 2.854 2.403 3.104 . 0 0 "[ . 1 . 2]" 1
20 1 2 ILE HB 1 2 ILE MD . . 3.650 3.182 2.413 3.230 . 0 0 "[ . 1 . 2]" 1
21 1 2 ILE HB 1 3 ARG H . . 5.390 4.275 3.908 4.419 . 0 0 "[ . 1 . 2]" 1
22 1 2 ILE HB 1 27 TYR QE . . 4.280 2.831 2.415 3.318 . 0 0 "[ . 1 . 2]" 1
23 1 2 ILE HB 1 120 SER HA . . 4.450 3.940 3.168 4.259 . 0 0 "[ . 1 . 2]" 1
24 1 2 ILE HB 1 120 SER QB . . 4.110 3.200 2.338 3.896 . 0 0 "[ . 1 . 2]" 1
25 1 2 ILE MD 1 3 ARG H . . 4.620 3.773 3.498 4.779 0.159 14 0 "[ . 1 . 2]" 1
26 1 2 ILE MD 1 5 ILE MD . . 4.420 3.916 2.559 4.194 . 0 0 "[ . 1 . 2]" 1
27 1 2 ILE MD 1 27 TYR QE . . 5.280 4.884 3.040 5.228 . 0 0 "[ . 1 . 2]" 1
28 1 2 ILE MD 1 48 ASP HB2 . . 4.270 3.165 2.630 4.293 0.023 14 0 "[ . 1 . 2]" 1
29 1 2 ILE MD 1 48 ASP QB . . 3.690 2.084 1.900 3.156 . 0 0 "[ . 1 . 2]" 1
30 1 2 ILE MD 1 48 ASP HB3 . . 4.270 2.117 1.930 3.247 . 0 0 "[ . 1 . 2]" 1
31 1 2 ILE MD 1 49 LEU H . . 4.870 4.402 4.142 4.715 . 0 0 "[ . 1 . 2]" 1
32 1 2 ILE MD 1 78 PRO HD2 . . 5.380 4.723 4.250 5.390 0.010 14 0 "[ . 1 . 2]" 1
33 1 2 ILE MD 1 78 PRO HG2 . . 4.400 4.293 3.723 4.408 0.008 3 0 "[ . 1 . 2]" 1
34 1 2 ILE MD 1 120 SER H . . 4.270 3.717 2.969 4.100 . 0 0 "[ . 1 . 2]" 1
35 1 2 ILE MD 1 120 SER HA . . 3.670 3.307 2.803 3.674 0.004 3 0 "[ . 1 . 2]" 1
36 1 2 ILE MD 1 120 SER QB . . 4.200 3.640 2.922 4.205 0.005 3 0 "[ . 1 . 2]" 1
37 1 2 ILE QG 1 27 TYR QD . . 4.250 4.125 3.686 4.263 0.013 14 0 "[ . 1 . 2]" 1
38 1 2 ILE QG 1 48 ASP QB . . 4.280 3.883 2.156 4.281 0.001 11 0 "[ . 1 . 2]" 1
39 1 2 ILE QG 1 120 SER HA . . 4.000 2.052 1.976 2.202 . 0 0 "[ . 1 . 2]" 1
40 1 2 ILE QG 1 121 GLU H . . 5.340 4.896 4.568 5.310 . 0 0 "[ . 1 . 2]" 1
41 1 2 ILE HG12 1 2 ILE MG . . 3.350 3.156 2.388 3.202 . 0 0 "[ . 1 . 2]" 1
42 1 2 ILE HG12 1 120 SER HA . . 4.760 2.156 1.999 3.697 . 0 0 "[ . 1 . 2]" 1
43 1 2 ILE HG13 1 2 ILE MG . . 3.350 2.358 2.243 3.191 . 0 0 "[ . 1 . 2]" 1
44 1 2 ILE HG13 1 120 SER HA . . 4.760 3.242 2.059 3.646 . 0 0 "[ . 1 . 2]" 1
45 1 2 ILE MG 1 3 ARG H . . 3.780 2.859 1.915 3.286 . 0 0 "[ . 1 . 2]" 1
46 1 2 ILE MG 1 3 ARG QD . . 5.340 5.215 4.454 5.358 0.018 14 0 "[ . 1 . 2]" 1
47 1 2 ILE MG 1 4 THR H . . 3.950 3.223 2.393 3.847 . 0 0 "[ . 1 . 2]" 1
48 1 2 ILE MG 1 5 ILE HA . . 4.490 4.363 4.086 4.498 0.008 13 0 "[ . 1 . 2]" 1
49 1 2 ILE MG 1 5 ILE MD . . 3.430 2.257 1.952 2.575 . 0 0 "[ . 1 . 2]" 1
50 1 2 ILE MG 1 27 TYR HB2 . . 4.430 4.132 3.755 4.436 0.006 14 0 "[ . 1 . 2]" 1
51 1 2 ILE MG 1 27 TYR HB3 . . 4.550 2.774 2.402 3.075 . 0 0 "[ . 1 . 2]" 1
52 1 2 ILE MG 1 27 TYR QD . . 3.660 2.599 2.278 2.971 . 0 0 "[ . 1 . 2]" 1
53 1 2 ILE MG 1 27 TYR QE . . 4.300 3.703 3.357 3.966 . 0 0 "[ . 1 . 2]" 1
54 1 2 ILE MG 1 48 ASP HB2 . . 3.600 2.622 1.954 3.060 . 0 0 "[ . 1 . 2]" 1
55 1 2 ILE MG 1 48 ASP HB3 . . 3.600 2.612 2.253 3.381 . 0 0 "[ . 1 . 2]" 1
56 1 2 ILE MG 1 49 LEU H . . 4.280 4.183 3.676 4.282 0.002 3 0 "[ . 1 . 2]" 1
57 1 2 ILE MG 1 120 SER HA . . 4.810 4.778 4.483 4.823 0.013 13 0 "[ . 1 . 2]" 1
58 1 3 ARG H 1 3 ARG HB2 . . 4.170 2.493 2.361 3.089 . 0 0 "[ . 1 . 2]" 1
59 1 3 ARG H 1 3 ARG HB3 . . 4.130 2.979 2.596 3.719 . 0 0 "[ . 1 . 2]" 1
60 1 3 ARG H 1 3 ARG HG2 . . 4.700 4.483 3.000 4.753 0.053 14 0 "[ . 1 . 2]" 1
61 1 3 ARG H 1 3 ARG HG3 . . 4.700 4.513 4.152 4.700 . 10 0 "[ . 1 . 2]" 1
62 1 3 ARG H 1 4 THR H . . 3.080 2.267 1.900 2.598 . 0 0 "[ . 1 . 2]" 1
63 1 3 ARG H 1 4 THR MG . . 5.070 4.565 4.252 4.889 . 0 0 "[ . 1 . 2]" 1
64 1 3 ARG H 1 48 ASP H . . 4.500 4.331 4.125 4.507 0.007 2 0 "[ . 1 . 2]" 1
65 1 3 ARG H 1 48 ASP HA . . 5.030 4.812 4.642 5.041 0.011 14 0 "[ . 1 . 2]" 1
66 1 3 ARG H 1 48 ASP HB2 . . 4.000 2.649 2.270 3.195 . 0 0 "[ . 1 . 2]" 1
67 1 3 ARG H 1 48 ASP HB3 . . 4.000 3.593 3.327 3.959 . 0 0 "[ . 1 . 2]" 1
68 1 3 ARG HA 1 3 ARG QD . . 3.830 2.337 1.969 2.979 . 0 0 "[ . 1 . 2]" 1
69 1 3 ARG HA 1 3 ARG HG2 . . 4.040 3.278 2.215 3.810 . 0 0 "[ . 1 . 2]" 1
70 1 3 ARG HA 1 3 ARG HG3 . . 4.040 2.949 2.197 3.705 . 0 0 "[ . 1 . 2]" 1
71 1 3 ARG HA 1 4 THR HA . . 4.930 4.558 4.538 4.579 . 0 0 "[ . 1 . 2]" 1
72 1 3 ARG HB2 1 4 THR H . . 4.090 3.351 2.466 3.961 . 0 0 "[ . 1 . 2]" 1
73 1 3 ARG HB2 1 4 THR MG . . 4.620 4.078 3.161 4.496 . 0 0 "[ . 1 . 2]" 1
74 1 3 ARG HB3 1 3 ARG QD . . 3.680 3.020 2.181 3.501 . 0 0 "[ . 1 . 2]" 1
75 1 3 ARG HB3 1 4 THR H . . 4.090 2.639 2.143 3.339 . 0 0 "[ . 1 . 2]" 1
76 1 3 ARG HB3 1 4 THR HB . . 5.500 5.149 4.988 5.472 . 0 0 "[ . 1 . 2]" 1
77 1 3 ARG HB3 1 4 THR MG . . 4.070 2.748 2.353 3.228 . 0 0 "[ . 1 . 2]" 1
78 1 3 ARG QD 1 4 THR MG . . 5.330 3.875 1.873 5.051 . 0 0 "[ . 1 . 2]" 1
79 1 3 ARG HG2 1 4 THR H . . 5.070 4.786 4.408 5.073 0.003 5 0 "[ . 1 . 2]" 1
80 1 3 ARG HG3 1 4 THR H . . 5.070 4.497 3.928 5.075 0.005 20 0 "[ . 1 . 2]" 1
81 1 4 THR H 1 4 THR HB . . 4.030 3.888 3.808 3.934 . 0 0 "[ . 1 . 2]" 1
82 1 4 THR H 1 4 THR MG . . 3.500 3.047 2.665 3.302 . 0 0 "[ . 1 . 2]" 1
83 1 4 THR H 1 5 ILE H . . 4.590 4.421 4.381 4.480 . 0 0 "[ . 1 . 2]" 1
84 1 4 THR H 1 48 ASP H . . 3.710 3.059 2.823 3.226 . 0 0 "[ . 1 . 2]" 1
85 1 4 THR H 1 48 ASP QB . . 3.540 2.491 2.162 2.831 . 0 0 "[ . 1 . 2]" 1
86 1 4 THR H 1 49 LEU H . . 4.830 4.775 4.630 4.847 0.017 14 0 "[ . 1 . 2]" 1
87 1 4 THR HA 1 4 THR MG . . 3.120 2.325 2.235 2.443 . 0 0 "[ . 1 . 2]" 1
88 1 4 THR HA 1 5 ILE H . . 2.790 2.393 2.278 2.557 . 0 0 "[ . 1 . 2]" 1
89 1 4 THR HA 1 5 ILE HA . . 4.650 4.481 4.436 4.536 . 0 0 "[ . 1 . 2]" 1
90 1 4 THR HA 1 5 ILE HB . . 5.070 4.585 4.499 4.627 . 0 0 "[ . 1 . 2]" 1
91 1 4 THR HA 1 5 ILE MD . . 5.000 4.644 4.520 4.738 . 0 0 "[ . 1 . 2]" 1
92 1 4 THR HA 1 27 TYR HA . . 5.500 5.154 4.906 5.499 . 0 0 "[ . 1 . 2]" 1
93 1 4 THR HA 1 28 GLU HB2 . . 4.330 3.808 3.230 4.340 0.010 18 0 "[ . 1 . 2]" 1
94 1 4 THR HA 1 28 GLU HB3 . . 4.330 2.281 1.998 2.766 . 0 0 "[ . 1 . 2]" 1
95 1 4 THR HA 1 28 GLU QG . . 4.330 3.832 3.326 4.181 . 0 0 "[ . 1 . 2]" 1
96 1 4 THR HA 1 47 TYR QD . . 4.670 3.896 3.759 4.023 . 0 0 "[ . 1 . 2]" 1
97 1 4 THR HA 1 48 ASP QB . . 5.070 4.679 4.400 4.980 . 0 0 "[ . 1 . 2]" 1
98 1 4 THR HB 1 5 ILE H . . 3.400 2.427 2.064 2.716 . 0 0 "[ . 1 . 2]" 1
99 1 4 THR HB 1 47 TYR QD . . 3.610 2.031 1.995 2.105 . 0 0 "[ . 1 . 2]" 1
100 1 4 THR HB 1 47 TYR QE . . 4.340 2.755 2.629 2.984 . 0 0 "[ . 1 . 2]" 1
101 1 4 THR MG 1 5 ILE H . . 3.830 3.689 3.453 3.825 . 0 0 "[ . 1 . 2]" 1
102 1 4 THR MG 1 28 GLU QB . . 2.890 2.344 1.958 2.829 . 0 0 "[ . 1 . 2]" 1
103 1 4 THR MG 1 28 GLU QG . . 3.920 2.932 2.296 3.600 . 0 0 "[ . 1 . 2]" 1
104 1 4 THR MG 1 45 THR MG . . 3.680 3.560 3.320 3.689 0.009 13 0 "[ . 1 . 2]" 1
105 1 4 THR MG 1 47 TYR HB3 . . 5.500 4.925 4.613 5.082 . 0 0 "[ . 1 . 2]" 1
106 1 4 THR MG 1 47 TYR QD . . 3.830 3.598 3.545 3.694 . 0 0 "[ . 1 . 2]" 1
107 1 4 THR MG 1 47 TYR QE . . 3.950 3.681 3.438 3.950 . 13 0 "[ . 1 . 2]" 1
108 1 5 ILE H 1 5 ILE HB . . 3.120 2.859 2.764 2.930 . 0 0 "[ . 1 . 2]" 1
109 1 5 ILE H 1 5 ILE MD . . 4.410 4.175 4.061 4.327 . 0 0 "[ . 1 . 2]" 1
110 1 5 ILE H 1 5 ILE HG12 . . 4.420 4.090 4.023 4.200 . 0 0 "[ . 1 . 2]" 1
111 1 5 ILE H 1 5 ILE HG13 . . 3.440 2.978 2.888 3.124 . 0 0 "[ . 1 . 2]" 1
112 1 5 ILE H 1 5 ILE MG . . 4.010 3.936 3.899 3.967 . 0 0 "[ . 1 . 2]" 1
113 1 5 ILE H 1 6 LEU H . . 4.400 4.366 4.295 4.405 0.005 1 0 "[ . 1 . 2]" 1
114 1 5 ILE H 1 27 TYR HB3 . . 5.480 5.148 4.900 5.479 . 0 0 "[ . 1 . 2]" 1
115 1 5 ILE H 1 28 GLU QG . . 4.390 4.144 3.652 4.396 0.006 18 0 "[ . 1 . 2]" 1
116 1 5 ILE H 1 29 VAL HA . . 3.740 2.690 2.505 2.955 . 0 0 "[ . 1 . 2]" 1
117 1 5 ILE H 1 29 VAL QG . . 5.080 4.089 3.585 4.427 . 0 0 "[ . 1 . 2]" 1
118 1 5 ILE H 1 30 THR H . . 4.420 3.920 3.724 4.072 . 0 0 "[ . 1 . 2]" 1
119 1 5 ILE H 1 47 TYR QD . . 4.070 2.729 2.393 2.958 . 0 0 "[ . 1 . 2]" 1
120 1 5 ILE H 1 47 TYR QE . . 4.700 3.828 3.435 4.121 . 0 0 "[ . 1 . 2]" 1
121 1 5 ILE H 1 49 LEU H . . 5.420 5.121 4.967 5.227 . 0 0 "[ . 1 . 2]" 1
122 1 5 ILE HA 1 5 ILE MD . . 4.260 3.865 3.830 3.881 . 0 0 "[ . 1 . 2]" 1
123 1 5 ILE HA 1 5 ILE MG . . 3.320 2.299 2.232 2.361 . 0 0 "[ . 1 . 2]" 1
124 1 5 ILE HA 1 6 LEU H . . 3.000 2.238 2.193 2.268 . 0 0 "[ . 1 . 2]" 1
125 1 5 ILE HA 1 49 LEU H . . 3.370 2.572 2.429 2.695 . 0 0 "[ . 1 . 2]" 1
126 1 5 ILE HA 1 49 LEU MD1 . . 5.300 5.108 4.897 5.250 . 0 0 "[ . 1 . 2]" 1
127 1 5 ILE HB 1 6 LEU H . . 5.030 3.872 3.762 4.032 . 0 0 "[ . 1 . 2]" 1
128 1 5 ILE HB 1 7 ALA MB . . 5.500 5.073 4.885 5.279 . 0 0 "[ . 1 . 2]" 1
129 1 5 ILE HB 1 27 TYR HB2 . . 5.210 4.700 4.443 4.941 . 0 0 "[ . 1 . 2]" 1
130 1 5 ILE HB 1 29 VAL HA . . 4.060 2.000 1.989 2.015 . 0 0 "[ . 1 . 2]" 1
131 1 5 ILE HB 1 30 THR H . . 3.810 3.642 3.529 3.737 . 0 0 "[ . 1 . 2]" 1
132 1 5 ILE HB 1 47 TYR QD . . 5.070 4.972 4.753 5.080 0.010 2 0 "[ . 1 . 2]" 1
133 1 5 ILE MD 1 5 ILE MG . . 2.930 2.025 1.925 2.181 . 0 0 "[ . 1 . 2]" 1
134 1 5 ILE MD 1 6 LEU H . . 4.950 4.869 4.788 4.956 0.006 6 0 "[ . 1 . 2]" 1
135 1 5 ILE MD 1 22 LEU H . . 5.500 5.422 5.246 5.513 0.013 6 0 "[ . 1 . 2]" 1
136 1 5 ILE MD 1 22 LEU HA . . 4.910 4.335 4.136 4.542 . 0 0 "[ . 1 . 2]" 1
137 1 5 ILE MD 1 22 LEU HB2 . . 4.050 3.731 3.504 3.868 . 0 0 "[ . 1 . 2]" 1
138 1 5 ILE MD 1 22 LEU HB3 . . 3.720 2.652 2.524 2.761 . 0 0 "[ . 1 . 2]" 1
139 1 5 ILE MD 1 22 LEU MD1 . . 3.940 1.953 1.789 2.133 . 0 0 "[ . 1 . 2]" 1
140 1 5 ILE MD 1 22 LEU QD . . 3.130 1.710 1.634 1.804 . 0 0 "[ . 1 . 2]" 1
141 1 5 ILE MD 1 22 LEU MD2 . . 3.940 1.906 1.826 2.196 . 0 0 "[ . 1 . 2]" 1
142 1 5 ILE MD 1 22 LEU HG . . 3.900 3.793 3.649 3.903 0.003 20 0 "[ . 1 . 2]" 1
143 1 5 ILE MD 1 25 ALA MB . . 4.950 4.748 4.523 4.956 0.006 6 0 "[ . 1 . 2]" 1
144 1 5 ILE MD 1 27 TYR H . . 4.780 4.685 4.549 4.783 0.003 8 0 "[ . 1 . 2]" 1
145 1 5 ILE MD 1 27 TYR HA . . 4.560 4.186 4.007 4.374 . 0 0 "[ . 1 . 2]" 1
146 1 5 ILE MD 1 27 TYR HB2 . . 3.790 2.542 2.388 2.624 . 0 0 "[ . 1 . 2]" 1
147 1 5 ILE MD 1 27 TYR HB3 . . 3.740 2.117 1.951 2.291 . 0 0 "[ . 1 . 2]" 1
148 1 5 ILE MD 1 27 TYR QD . . 3.800 3.128 2.871 3.239 . 0 0 "[ . 1 . 2]" 1
149 1 5 ILE MD 1 27 TYR QE . . 4.650 4.305 4.078 4.445 . 0 0 "[ . 1 . 2]" 1
150 1 5 ILE MD 1 28 GLU H . . 4.210 4.000 3.782 4.183 . 0 0 "[ . 1 . 2]" 1
151 1 5 ILE MD 1 29 VAL HA . . 4.660 3.692 3.590 3.805 . 0 0 "[ . 1 . 2]" 1
152 1 5 ILE MD 1 29 VAL HB . . 4.670 3.026 2.327 4.672 0.002 12 0 "[ . 1 . 2]" 1
153 1 5 ILE MD 1 29 VAL MG1 . . 4.040 3.698 3.307 4.032 . 0 0 "[ . 1 . 2]" 1
154 1 5 ILE MD 1 29 VAL MG2 . . 4.040 3.275 1.985 3.861 . 0 0 "[ . 1 . 2]" 1
155 1 5 ILE MD 1 49 LEU H . . 5.270 4.852 4.606 5.052 . 0 0 "[ . 1 . 2]" 1
156 1 5 ILE MD 1 49 LEU MD1 . . 3.620 3.132 2.635 3.557 . 0 0 "[ . 1 . 2]" 1
157 1 5 ILE MD 1 49 LEU MD2 . . 4.920 4.638 4.302 4.924 0.004 17 0 "[ . 1 . 2]" 1
158 1 5 ILE MD 1 116 VAL HA . . 5.500 5.275 4.848 5.509 0.009 13 0 "[ . 1 . 2]" 1
159 1 5 ILE MD 1 116 VAL HB . . 4.950 3.981 3.134 4.320 . 0 0 "[ . 1 . 2]" 1
160 1 5 ILE MD 1 116 VAL QG . . 3.300 2.268 1.929 2.481 . 0 0 "[ . 1 . 2]" 1
161 1 5 ILE HG12 1 27 TYR HB2 . . 5.300 5.249 5.097 5.309 0.009 7 0 "[ . 1 . 2]" 1
162 1 5 ILE HG12 1 27 TYR HB3 . . 4.490 4.209 3.947 4.405 . 0 0 "[ . 1 . 2]" 1
163 1 5 ILE HG12 1 27 TYR QD . . 5.500 5.341 4.779 5.505 0.005 13 0 "[ . 1 . 2]" 1
164 1 5 ILE HG12 1 47 TYR QD . . 5.500 5.414 5.145 5.506 0.006 19 0 "[ . 1 . 2]" 1
165 1 5 ILE HG12 1 49 LEU HA . . 5.500 5.106 4.724 5.499 . 0 0 "[ . 1 . 2]" 1
166 1 5 ILE HG13 1 27 TYR HB2 . . 4.780 4.217 3.992 4.381 . 0 0 "[ . 1 . 2]" 1
167 1 5 ILE HG13 1 27 TYR HB3 . . 4.140 3.004 2.711 3.187 . 0 0 "[ . 1 . 2]" 1
168 1 5 ILE HG13 1 49 LEU H . . 5.500 4.490 4.224 4.851 . 0 0 "[ . 1 . 2]" 1
169 1 5 ILE MG 1 6 LEU H . . 3.280 2.117 1.912 2.371 . 0 0 "[ . 1 . 2]" 1
170 1 5 ILE MG 1 6 LEU HA . . 4.210 3.619 3.499 3.749 . 0 0 "[ . 1 . 2]" 1
171 1 5 ILE MG 1 6 LEU HB2 . . 4.760 4.492 4.348 4.761 0.001 18 0 "[ . 1 . 2]" 1
172 1 5 ILE MG 1 7 ALA H . . 4.480 4.255 4.017 4.451 . 0 0 "[ . 1 . 2]" 1
173 1 5 ILE MG 1 7 ALA HA . . 4.780 4.508 4.389 4.696 . 0 0 "[ . 1 . 2]" 1
174 1 5 ILE MG 1 7 ALA MB . . 3.380 3.293 3.110 3.391 0.011 14 0 "[ . 1 . 2]" 1
175 1 5 ILE MG 1 22 LEU HB2 . . 4.660 4.545 4.342 4.670 0.010 8 0 "[ . 1 . 2]" 1
176 1 5 ILE MG 1 27 TYR HB2 . . 5.340 5.101 4.879 5.305 . 0 0 "[ . 1 . 2]" 1
177 1 5 ILE MG 1 29 VAL HB . . 4.460 3.482 3.024 4.471 0.011 18 0 "[ . 1 . 2]" 1
178 1 5 ILE MG 1 47 TYR QD . . 4.890 4.748 4.584 4.846 . 0 0 "[ . 1 . 2]" 1
179 1 5 ILE MG 1 49 LEU H . . 4.430 3.517 3.338 3.767 . 0 0 "[ . 1 . 2]" 1
180 1 5 ILE MG 1 50 VAL H . . 5.350 4.599 4.334 4.937 . 0 0 "[ . 1 . 2]" 1
181 1 5 ILE MG 1 51 LEU H . . 4.680 4.600 4.249 4.691 0.011 15 0 "[ . 1 . 2]" 1
182 1 6 LEU H 1 6 LEU HB2 . . 3.680 2.848 2.633 3.353 . 0 0 "[ . 1 . 2]" 1
183 1 6 LEU H 1 6 LEU HB3 . . 3.400 2.902 2.545 3.064 . 0 0 "[ . 1 . 2]" 1
184 1 6 LEU H 1 6 LEU MD1 . . 4.950 4.308 4.216 4.586 . 0 0 "[ . 1 . 2]" 1
185 1 6 LEU H 1 6 LEU QD . . 3.950 3.738 3.607 3.959 0.009 2 0 "[ . 1 . 2]" 1
186 1 6 LEU H 1 6 LEU MD2 . . 4.950 4.115 3.883 4.596 . 0 0 "[ . 1 . 2]" 1
187 1 6 LEU H 1 7 ALA H . . 4.620 4.351 4.203 4.432 . 0 0 "[ . 1 . 2]" 1
188 1 6 LEU H 1 47 TYR HB2 . . 4.500 3.943 3.629 4.492 . 0 0 "[ . 1 . 2]" 1
189 1 6 LEU H 1 47 TYR HB3 . . 4.230 3.499 3.289 3.861 . 0 0 "[ . 1 . 2]" 1
190 1 6 LEU H 1 47 TYR QD . . 4.560 4.030 3.771 4.205 . 0 0 "[ . 1 . 2]" 1
191 1 6 LEU H 1 49 LEU H . . 4.160 3.704 3.572 3.926 . 0 0 "[ . 1 . 2]" 1
192 1 6 LEU H 1 50 VAL H . . 4.910 4.771 4.659 4.911 0.001 14 0 "[ . 1 . 2]" 1
193 1 6 LEU H 1 50 VAL HA . . 3.570 2.863 2.676 3.002 . 0 0 "[ . 1 . 2]" 1
194 1 6 LEU H 1 50 VAL MG1 . . 4.430 4.300 4.025 4.432 0.002 20 0 "[ . 1 . 2]" 1
195 1 6 LEU H 1 50 VAL QG . . 3.550 3.439 3.188 3.560 0.010 4 0 "[ . 1 . 2]" 1
196 1 6 LEU H 1 50 VAL MG2 . . 4.430 3.619 3.342 3.783 . 0 0 "[ . 1 . 2]" 1
197 1 6 LEU H 1 51 LEU H . . 4.360 4.317 4.140 4.366 0.006 6 0 "[ . 1 . 2]" 1
198 1 6 LEU HA 1 6 LEU QD . . 3.270 2.093 1.909 2.590 . 0 0 "[ . 1 . 2]" 1
199 1 6 LEU HA 1 7 ALA H . . 3.030 2.171 2.140 2.198 . 0 0 "[ . 1 . 2]" 1
200 1 6 LEU HA 1 31 VAL HA . . 5.020 4.427 4.164 4.715 . 0 0 "[ . 1 . 2]" 1
201 1 6 LEU HB2 1 7 ALA H . . 4.430 4.310 4.080 4.400 . 0 0 "[ . 1 . 2]" 1
202 1 6 LEU HB2 1 47 TYR QD . . 5.210 3.172 2.923 3.527 . 0 0 "[ . 1 . 2]" 1
203 1 6 LEU HB2 1 47 TYR QE . . 4.550 3.734 3.492 3.986 . 0 0 "[ . 1 . 2]" 1
204 1 6 LEU HB2 1 50 VAL HA . . 5.110 3.900 3.580 4.379 . 0 0 "[ . 1 . 2]" 1
205 1 6 LEU HB2 1 50 VAL MG1 . . 4.330 3.900 3.403 4.275 . 0 0 "[ . 1 . 2]" 1
206 1 6 LEU HB2 1 50 VAL QG . . 3.660 3.216 2.612 3.653 . 0 0 "[ . 1 . 2]" 1
207 1 6 LEU HB2 1 50 VAL MG2 . . 4.330 3.434 2.713 3.972 . 0 0 "[ . 1 . 2]" 1
208 1 6 LEU HB3 1 6 LEU QD . . 3.110 2.205 2.051 2.381 . 0 0 "[ . 1 . 2]" 1
209 1 6 LEU HB3 1 7 ALA H . . 4.830 3.883 3.685 4.412 . 0 0 "[ . 1 . 2]" 1
210 1 6 LEU HB3 1 47 TYR HB2 . . 4.210 3.913 3.513 4.180 . 0 0 "[ . 1 . 2]" 1
211 1 6 LEU HB3 1 47 TYR HB3 . . 5.500 4.573 3.938 4.959 . 0 0 "[ . 1 . 2]" 1
212 1 6 LEU HB3 1 50 VAL HA . . 4.160 2.681 2.392 3.196 . 0 0 "[ . 1 . 2]" 1
213 1 6 LEU HB3 1 50 VAL MG1 . . 4.230 2.497 2.045 2.871 . 0 0 "[ . 1 . 2]" 1
214 1 6 LEU HB3 1 50 VAL QG . . 3.610 2.345 1.980 2.731 . 0 0 "[ . 1 . 2]" 1
215 1 6 LEU HB3 1 50 VAL MG2 . . 4.230 2.913 2.470 3.422 . 0 0 "[ . 1 . 2]" 1
216 1 6 LEU HB3 1 51 LEU H . . 3.830 3.510 3.313 3.838 0.008 18 0 "[ . 1 . 2]" 1
217 1 6 LEU QD 1 7 ALA H . . 3.350 2.125 1.986 3.152 . 0 0 "[ . 1 . 2]" 1
218 1 6 LEU QD 1 7 ALA HA . . 3.920 3.330 3.103 3.926 0.006 2 0 "[ . 1 . 2]" 1
219 1 6 LEU QD 1 30 THR H . . 3.990 3.468 3.101 4.001 0.011 7 0 "[ . 1 . 2]" 1
220 1 6 LEU QD 1 30 THR HA . . 5.390 4.337 4.020 4.811 . 0 0 "[ . 1 . 2]" 1
221 1 6 LEU QD 1 30 THR HB . . 3.600 2.462 1.961 3.446 . 0 0 "[ . 1 . 2]" 1
222 1 6 LEU QD 1 30 THR MG . . 3.220 2.812 2.293 3.227 0.007 14 0 "[ . 1 . 2]" 1
223 1 6 LEU QD 1 31 VAL H . . 5.010 4.232 3.990 4.636 . 0 0 "[ . 1 . 2]" 1
224 1 6 LEU QD 1 31 VAL HA . . 4.060 3.035 2.640 3.743 . 0 0 "[ . 1 . 2]" 1
225 1 6 LEU QD 1 32 ALA H . . 4.560 3.091 2.780 3.527 . 0 0 "[ . 1 . 2]" 1
226 1 6 LEU QD 1 32 ALA HA . . 5.440 4.015 3.511 4.604 . 0 0 "[ . 1 . 2]" 1
227 1 6 LEU QD 1 32 ALA MB . . 3.510 2.380 1.896 2.906 . 0 0 "[ . 1 . 2]" 1
228 1 6 LEU QD 1 38 GLY HA2 . . 3.680 2.427 2.098 2.871 . 0 0 "[ . 1 . 2]" 1
229 1 6 LEU QD 1 39 PHE H . . 5.230 4.270 3.529 4.803 . 0 0 "[ . 1 . 2]" 1
230 1 6 LEU QD 1 41 LEU H . . 5.200 4.742 4.046 5.157 . 0 0 "[ . 1 . 2]" 1
231 1 6 LEU QD 1 41 LEU HB2 . . 3.790 3.571 2.823 3.798 0.008 5 0 "[ . 1 . 2]" 1
232 1 6 LEU QD 1 42 ALA H . . 4.920 4.069 3.033 4.906 . 0 0 "[ . 1 . 2]" 1
233 1 6 LEU QD 1 47 TYR QD . . 4.330 3.245 2.790 3.648 . 0 0 "[ . 1 . 2]" 1
234 1 6 LEU QD 1 47 TYR QE . . 3.980 2.658 2.241 3.325 . 0 0 "[ . 1 . 2]" 1
235 1 6 LEU QD 1 50 VAL HA . . 4.130 3.893 3.278 4.147 0.017 14 0 "[ . 1 . 2]" 1
236 1 6 LEU MD1 1 31 VAL HA . . 5.290 3.404 2.647 5.305 0.015 14 0 "[ . 1 . 2]" 1
237 1 6 LEU MD1 1 38 GLY HA2 . . 4.260 2.636 2.254 3.285 . 0 0 "[ . 1 . 2]" 1
238 1 6 LEU MD1 1 47 TYR QD . . 5.190 4.605 2.807 5.144 . 0 0 "[ . 1 . 2]" 1
239 1 6 LEU MD1 1 47 TYR QE . . 5.000 4.235 2.247 4.958 . 0 0 "[ . 1 . 2]" 1
240 1 6 LEU MD1 1 50 VAL HA . . 5.270 4.292 3.811 5.095 . 0 0 "[ . 1 . 2]" 1
241 1 6 LEU MD2 1 31 VAL HA . . 5.290 4.107 2.657 5.321 0.031 18 0 "[ . 1 . 2]" 1
242 1 6 LEU MD2 1 38 GLY HA2 . . 4.260 3.405 2.128 4.032 . 0 0 "[ . 1 . 2]" 1
243 1 6 LEU MD2 1 47 TYR QD . . 5.190 3.527 3.175 5.054 . 0 0 "[ . 1 . 2]" 1
244 1 6 LEU MD2 1 47 TYR QE . . 5.000 2.961 2.472 4.678 . 0 0 "[ . 1 . 2]" 1
245 1 6 LEU MD2 1 50 VAL HA . . 5.270 4.870 3.323 5.295 0.025 8 0 "[ . 1 . 2]" 1
246 1 6 LEU HG 1 7 ALA H . . 5.310 4.153 2.338 4.625 . 0 0 "[ . 1 . 2]" 1
247 1 7 ALA H 1 7 ALA MB . . 3.020 2.595 2.517 2.675 . 0 0 "[ . 1 . 2]" 1
248 1 7 ALA H 1 8 ILE H . . 4.980 4.368 4.096 4.443 . 0 0 "[ . 1 . 2]" 1
249 1 7 ALA H 1 8 ILE MD . . 4.130 3.637 3.367 4.133 0.003 2 0 "[ . 1 . 2]" 1
250 1 7 ALA H 1 8 ILE HG13 . . 4.350 4.089 3.848 4.301 . 0 0 "[ . 1 . 2]" 1
251 1 7 ALA H 1 30 THR H . . 3.790 3.650 3.195 3.808 0.018 6 0 "[ . 1 . 2]" 1
252 1 7 ALA H 1 30 THR HB . . 4.640 4.524 4.271 4.678 0.038 18 0 "[ . 1 . 2]" 1
253 1 7 ALA H 1 30 THR MG . . 4.850 4.704 4.493 4.859 0.009 18 0 "[ . 1 . 2]" 1
254 1 7 ALA H 1 31 VAL H . . 4.970 4.809 4.507 4.992 0.022 8 0 "[ . 1 . 2]" 1
255 1 7 ALA H 1 31 VAL HA . . 3.400 2.828 2.657 2.959 . 0 0 "[ . 1 . 2]" 1
256 1 7 ALA H 1 31 VAL HB . . 5.340 5.049 4.745 5.332 . 0 0 "[ . 1 . 2]" 1
257 1 7 ALA H 1 31 VAL MG1 . . 4.170 3.672 2.982 4.026 . 0 0 "[ . 1 . 2]" 1
258 1 7 ALA H 1 31 VAL MG2 . . 5.500 5.385 5.156 5.535 0.035 6 0 "[ . 1 . 2]" 1
259 1 7 ALA H 1 32 ALA H . . 5.290 4.068 3.703 4.456 . 0 0 "[ . 1 . 2]" 1
260 1 7 ALA H 1 50 VAL QG . . 5.440 4.790 4.446 4.988 . 0 0 "[ . 1 . 2]" 1
261 1 7 ALA H 1 51 LEU H . . 4.750 4.657 4.486 4.752 0.002 1 0 "[ . 1 . 2]" 1
262 1 7 ALA HA 1 8 ILE H . . 2.870 2.244 2.141 2.333 . 0 0 "[ . 1 . 2]" 1
263 1 7 ALA HA 1 8 ILE HB . . 4.970 4.635 4.548 4.754 . 0 0 "[ . 1 . 2]" 1
264 1 7 ALA HA 1 8 ILE MD . . 4.500 2.718 2.461 3.368 . 0 0 "[ . 1 . 2]" 1
265 1 7 ALA HA 1 29 VAL QG . . 5.170 4.708 4.290 5.134 . 0 0 "[ . 1 . 2]" 1
266 1 7 ALA HA 1 50 VAL QG . . 4.340 4.024 3.822 4.286 . 0 0 "[ . 1 . 2]" 1
267 1 7 ALA HA 1 51 LEU H . . 3.270 2.707 2.437 2.862 . 0 0 "[ . 1 . 2]" 1
268 1 7 ALA HA 1 51 LEU HB2 . . 4.180 2.305 1.996 3.490 . 0 0 "[ . 1 . 2]" 1
269 1 7 ALA HA 1 51 LEU QB . . 3.560 2.097 1.988 2.340 . 0 0 "[ . 1 . 2]" 1
270 1 7 ALA HA 1 51 LEU HB3 . . 4.180 3.182 2.058 3.988 . 0 0 "[ . 1 . 2]" 1
271 1 7 ALA MB 1 8 ILE H . . 3.250 2.839 2.573 3.286 0.036 18 0 "[ . 1 . 2]" 1
272 1 7 ALA MB 1 8 ILE HB . . 5.500 5.162 5.010 5.413 . 0 0 "[ . 1 . 2]" 1
273 1 7 ALA MB 1 29 VAL HA . . 5.420 5.217 5.003 5.406 . 0 0 "[ . 1 . 2]" 1
274 1 7 ALA MB 1 31 VAL HA . . 3.770 3.294 2.765 3.772 0.002 18 0 "[ . 1 . 2]" 1
275 1 7 ALA MB 1 31 VAL HB . . 4.290 4.146 3.754 4.301 0.011 8 0 "[ . 1 . 2]" 1
276 1 7 ALA MB 1 50 VAL HA . . 5.300 5.063 4.860 5.248 . 0 0 "[ . 1 . 2]" 1
277 1 7 ALA MB 1 51 LEU H . . 4.260 4.099 3.729 4.267 0.007 19 0 "[ . 1 . 2]" 1
278 1 7 ALA MB 1 51 LEU QB . . 3.390 2.513 2.000 2.972 . 0 0 "[ . 1 . 2]" 1
279 1 8 ILE H 1 8 ILE HB . . 3.940 2.836 2.621 2.906 . 0 0 "[ . 1 . 2]" 1
280 1 8 ILE H 1 8 ILE MD . . 3.170 2.590 2.230 2.733 . 0 0 "[ . 1 . 2]" 1
281 1 8 ILE H 1 8 ILE HG12 . . 5.120 4.447 4.143 4.577 . 0 0 "[ . 1 . 2]" 1
282 1 8 ILE H 1 8 ILE HG13 . . 3.690 3.440 2.913 3.617 . 0 0 "[ . 1 . 2]" 1
283 1 8 ILE H 1 8 ILE MG . . 4.330 3.926 3.843 3.957 . 0 0 "[ . 1 . 2]" 1
284 1 8 ILE H 1 9 ASP H . . 4.630 4.196 3.966 4.459 . 0 0 "[ . 1 . 2]" 1
285 1 8 ILE H 1 50 VAL QG . . 5.130 4.788 4.218 5.120 . 0 0 "[ . 1 . 2]" 1
286 1 8 ILE H 1 51 LEU H . . 4.410 4.011 3.444 4.353 . 0 0 "[ . 1 . 2]" 1
287 1 8 ILE H 1 51 LEU QB . . 4.670 2.773 2.335 2.932 . 0 0 "[ . 1 . 2]" 1
288 1 8 ILE HA 1 8 ILE MD . . 3.990 3.494 3.419 3.711 . 0 0 "[ . 1 . 2]" 1
289 1 8 ILE HA 1 8 ILE MG . . 3.330 2.316 2.249 2.349 . 0 0 "[ . 1 . 2]" 1
290 1 8 ILE HA 1 9 ASP H . . 2.960 2.159 2.140 2.198 . 0 0 "[ . 1 . 2]" 1
291 1 8 ILE HA 1 15 ARG QD . . 4.270 3.554 2.496 4.280 0.010 5 0 "[ . 1 . 2]" 1
292 1 8 ILE HB 1 8 ILE MD . . 3.550 2.134 2.063 2.233 . 0 0 "[ . 1 . 2]" 1
293 1 8 ILE HB 1 52 THR HA . . 3.750 2.519 2.253 2.933 . 0 0 "[ . 1 . 2]" 1
294 1 8 ILE HB 1 52 THR HB . . 4.300 4.146 3.799 4.303 0.003 12 0 "[ . 1 . 2]" 1
295 1 8 ILE HB 1 52 THR MG . . 5.500 5.136 4.913 5.378 . 0 0 "[ . 1 . 2]" 1
296 1 8 ILE HB 1 53 ASP H . . 4.510 3.520 3.045 4.140 . 0 0 "[ . 1 . 2]" 1
297 1 8 ILE MD 1 35 GLY HA2 . . 5.500 3.171 2.223 3.489 . 0 0 "[ . 1 . 2]" 1
298 1 8 ILE MD 1 35 GLY HA3 . . 5.370 4.458 3.530 4.829 . 0 0 "[ . 1 . 2]" 1
299 1 8 ILE MD 1 38 GLY HA2 . . 4.970 3.674 3.076 4.043 . 0 0 "[ . 1 . 2]" 1
300 1 8 ILE MD 1 38 GLY HA3 . . 4.250 2.350 1.961 2.744 . 0 0 "[ . 1 . 2]" 1
301 1 8 ILE MD 1 39 PHE H . . 4.750 3.651 3.214 3.942 . 0 0 "[ . 1 . 2]" 1
302 1 8 ILE MD 1 52 THR H . . 4.690 4.278 3.975 4.656 . 0 0 "[ . 1 . 2]" 1
303 1 8 ILE MD 1 52 THR HA . . 3.920 2.685 2.300 3.028 . 0 0 "[ . 1 . 2]" 1
304 1 8 ILE MD 1 52 THR HB . . 3.510 3.034 2.705 3.418 . 0 0 "[ . 1 . 2]" 1
305 1 8 ILE HG12 1 32 ALA H . . 5.390 4.152 3.414 4.750 . 0 0 "[ . 1 . 2]" 1
306 1 8 ILE HG12 1 35 GLY HA2 . . 5.110 2.674 2.305 3.056 . 0 0 "[ . 1 . 2]" 1
307 1 8 ILE HG12 1 35 GLY HA3 . . 5.060 4.409 4.034 4.735 . 0 0 "[ . 1 . 2]" 1
308 1 8 ILE HG12 1 38 GLY H . . 3.750 3.245 3.024 3.424 . 0 0 "[ . 1 . 2]" 1
309 1 8 ILE HG12 1 38 GLY HA2 . . 4.530 3.920 3.630 4.182 . 0 0 "[ . 1 . 2]" 1
310 1 8 ILE HG12 1 38 GLY HA3 . . 4.020 2.382 2.096 2.818 . 0 0 "[ . 1 . 2]" 1
311 1 8 ILE HG12 1 39 PHE H . . 4.590 4.093 3.569 4.595 0.005 18 0 "[ . 1 . 2]" 1
312 1 8 ILE HG12 1 52 THR HA . . 5.130 4.720 4.302 5.135 0.005 17 0 "[ . 1 . 2]" 1
313 1 8 ILE HG13 1 8 ILE MG . . 3.500 2.701 2.642 2.846 . 0 0 "[ . 1 . 2]" 1
314 1 8 ILE HG13 1 9 ASP H . . 4.670 4.505 4.413 4.615 . 0 0 "[ . 1 . 2]" 1
315 1 8 ILE HG13 1 32 ALA H . . 3.860 2.830 2.461 3.317 . 0 0 "[ . 1 . 2]" 1
316 1 8 ILE MG 1 9 ASP H . . 3.440 2.471 2.040 2.900 . 0 0 "[ . 1 . 2]" 1
317 1 8 ILE MG 1 32 ALA H . . 4.600 3.888 3.432 4.324 . 0 0 "[ . 1 . 2]" 1
318 1 8 ILE MG 1 32 ALA MB . . 3.380 2.892 2.609 3.143 . 0 0 "[ . 1 . 2]" 1
319 1 8 ILE MG 1 33 ALA H . . 4.780 4.502 4.048 4.785 0.005 14 0 "[ . 1 . 2]" 1
320 1 8 ILE MG 1 34 ASP H . . 3.550 3.326 2.890 3.555 0.005 20 0 "[ . 1 . 2]" 1
321 1 8 ILE MG 1 34 ASP HA . . 3.740 2.674 2.203 3.020 . 0 0 "[ . 1 . 2]" 1
322 1 8 ILE MG 1 34 ASP HB2 . . 4.850 4.578 4.143 4.853 0.003 15 0 "[ . 1 . 2]" 1
323 1 8 ILE MG 1 34 ASP QB . . 4.260 3.940 3.642 4.183 . 0 0 "[ . 1 . 2]" 1
324 1 8 ILE MG 1 34 ASP HB3 . . 4.850 4.314 3.937 4.674 . 0 0 "[ . 1 . 2]" 1
325 1 8 ILE MG 1 35 GLY H . . 4.120 2.588 2.369 2.791 . 0 0 "[ . 1 . 2]" 1
326 1 8 ILE MG 1 35 GLY HA2 . . 4.090 2.190 1.950 2.866 . 0 0 "[ . 1 . 2]" 1
327 1 8 ILE MG 1 35 GLY HA3 . . 3.650 3.027 2.717 3.595 . 0 0 "[ . 1 . 2]" 1
328 1 8 ILE MG 1 37 ALA H . . 4.870 4.763 4.543 4.875 0.005 8 0 "[ . 1 . 2]" 1
329 1 8 ILE MG 1 38 GLY H . . 4.240 3.785 3.508 4.114 . 0 0 "[ . 1 . 2]" 1
330 1 8 ILE MG 1 38 GLY HA3 . . 4.300 3.901 3.544 4.310 0.010 8 0 "[ . 1 . 2]" 1
331 1 8 ILE MG 1 52 THR HA . . 4.300 3.860 3.464 4.284 . 0 0 "[ . 1 . 2]" 1
332 1 9 ASP H 1 9 ASP QB . . 3.350 2.818 2.485 3.350 . 0 0 "[ . 1 . 2]" 1
333 1 9 ASP H 1 10 ASP H . . 4.620 4.401 4.344 4.461 . 0 0 "[ . 1 . 2]" 1
334 1 9 ASP H 1 15 ARG QD . . 3.980 2.670 1.998 3.436 . 0 0 "[ . 1 . 2]" 1
335 1 9 ASP H 1 15 ARG QG . . 3.970 2.798 2.235 3.976 0.006 5 0 "[ . 1 . 2]" 1
336 1 9 ASP H 1 31 VAL HB . . 5.110 4.488 3.994 5.069 . 0 0 "[ . 1 . 2]" 1
337 1 9 ASP H 1 32 ALA H . . 5.110 4.546 4.059 4.848 . 0 0 "[ . 1 . 2]" 1
338 1 9 ASP HA 1 10 ASP H . . 3.380 2.460 2.314 2.501 . 0 0 "[ . 1 . 2]" 1
339 1 9 ASP QB 1 10 ASP H . . 4.170 2.598 2.195 3.268 . 0 0 "[ . 1 . 2]" 1
340 1 9 ASP QB 1 14 MET HB3 . . 4.340 2.955 2.462 3.485 . 0 0 "[ . 1 . 2]" 1
341 1 9 ASP QB 1 15 ARG H . . 4.930 3.378 2.848 4.482 . 0 0 "[ . 1 . 2]" 1
342 1 9 ASP QB 1 15 ARG HA . . 4.880 3.479 2.648 4.541 . 0 0 "[ . 1 . 2]" 1
343 1 9 ASP QB 1 15 ARG QD . . 5.180 3.313 2.258 4.921 . 0 0 "[ . 1 . 2]" 1
344 1 9 ASP QB 1 15 ARG QG . . 4.350 2.200 1.822 4.393 0.043 5 0 "[ . 1 . 2]" 1
345 1 9 ASP QB 1 18 LEU QD . . 4.400 3.615 2.942 4.313 . 0 0 "[ . 1 . 2]" 1
346 1 10 ASP H 1 10 ASP HB2 . . 3.670 2.716 2.319 3.657 . 0 0 "[ . 1 . 2]" 1
347 1 10 ASP H 1 10 ASP HB3 . . 3.670 3.093 2.441 3.639 . 0 0 "[ . 1 . 2]" 1
348 1 10 ASP H 1 11 SER QB . . 4.860 4.093 3.717 4.633 . 0 0 "[ . 1 . 2]" 1
349 1 10 ASP H 1 14 MET HB3 . . 5.170 5.017 4.361 5.205 0.035 6 0 "[ . 1 . 2]" 1
350 1 10 ASP QB 1 11 SER QB . . 4.340 4.070 3.713 4.356 0.016 5 0 "[ . 1 . 2]" 1
351 1 11 SER HA 1 12 ALA HA . . 4.480 4.402 4.352 4.456 . 0 0 "[ . 1 . 2]" 1
352 1 11 SER HA 1 12 ALA MB . . 4.060 3.977 3.928 4.009 . 0 0 "[ . 1 . 2]" 1
353 1 11 SER HA 1 13 THR H . . 4.150 3.832 3.612 4.153 0.003 6 0 "[ . 1 . 2]" 1
354 1 11 SER HA 1 14 MET H . . 4.580 4.379 4.091 4.593 0.013 20 0 "[ . 1 . 2]" 1
355 1 11 SER QB 1 14 MET H . . 3.450 2.721 2.122 3.179 . 0 0 "[ . 1 . 2]" 1
356 1 11 SER QB 1 14 MET HB3 . . 4.130 3.168 2.078 4.128 . 0 0 "[ . 1 . 2]" 1
357 1 11 SER HB2 1 14 MET HB2 . . 4.360 3.444 2.250 4.349 . 0 0 "[ . 1 . 2]" 1
358 1 11 SER HB3 1 14 MET HB2 . . 4.360 2.817 2.002 4.355 . 0 0 "[ . 1 . 2]" 1
359 1 12 ALA H 1 12 ALA MB . . 3.470 2.154 2.026 2.232 . 0 0 "[ . 1 . 2]" 1
360 1 12 ALA H 1 13 THR H . . 5.030 2.804 2.718 2.946 . 0 0 "[ . 1 . 2]" 1
361 1 12 ALA HA 1 14 MET H . . 4.750 4.417 4.145 4.747 . 0 0 "[ . 1 . 2]" 1
362 1 12 ALA HA 1 15 ARG H . . 3.760 3.613 3.404 3.759 . 0 0 "[ . 1 . 2]" 1
363 1 12 ALA HA 1 15 ARG QB . . 3.940 2.710 2.317 3.270 . 0 0 "[ . 1 . 2]" 1
364 1 12 ALA HA 1 16 ALA H . . 4.650 4.167 3.827 4.632 . 0 0 "[ . 1 . 2]" 1
365 1 12 ALA MB 1 13 THR H . . 3.810 2.601 2.212 2.741 . 0 0 "[ . 1 . 2]" 1
366 1 12 ALA MB 1 13 THR HB . . 4.820 4.743 4.474 4.824 0.004 20 0 "[ . 1 . 2]" 1
367 1 12 ALA MB 1 14 MET H . . 5.030 4.589 4.264 4.813 . 0 0 "[ . 1 . 2]" 1
368 1 13 THR H 1 13 THR MG . . 4.360 3.767 3.764 3.772 . 0 0 "[ . 1 . 2]" 1
369 1 13 THR HA 1 13 THR MG . . 2.870 2.337 2.269 2.404 . 0 0 "[ . 1 . 2]" 1
370 1 13 THR HA 1 15 ARG H . . 4.890 4.775 4.460 4.895 0.005 7 0 "[ . 1 . 2]" 1
371 1 13 THR HA 1 16 ALA H . . 3.840 3.691 3.523 3.845 0.005 2 0 "[ . 1 . 2]" 1
372 1 13 THR HA 1 16 ALA MB . . 3.410 2.888 2.360 3.196 . 0 0 "[ . 1 . 2]" 1
373 1 13 THR HB 1 14 MET H . . 3.060 2.585 2.351 2.765 . 0 0 "[ . 1 . 2]" 1
374 1 13 THR HB 1 14 MET HA . . 4.720 4.245 4.172 4.304 . 0 0 "[ . 1 . 2]" 1
375 1 13 THR MG 1 14 MET H . . 3.680 3.485 3.241 3.679 . 0 0 "[ . 1 . 2]" 1
376 1 13 THR MG 1 15 ARG H . . 5.360 5.248 5.124 5.362 0.002 9 0 "[ . 1 . 2]" 1
377 1 13 THR MG 1 17 LEU H . . 4.090 3.935 3.701 4.089 . 0 0 "[ . 1 . 2]" 1
378 1 14 MET H 1 14 MET HB2 . . 3.200 2.347 2.189 2.562 . 0 0 "[ . 1 . 2]" 1
379 1 14 MET H 1 15 ARG H . . 3.090 2.715 2.515 2.865 . 0 0 "[ . 1 . 2]" 1
380 1 14 MET H 1 16 ALA MB . . 5.500 4.828 4.490 5.036 . 0 0 "[ . 1 . 2]" 1
381 1 14 MET HA 1 16 ALA H . . 4.270 4.206 4.122 4.293 0.023 11 0 "[ . 1 . 2]" 1
382 1 14 MET HA 1 17 LEU H . . 3.520 3.346 3.170 3.516 . 0 0 "[ . 1 . 2]" 1
383 1 14 MET HA 1 17 LEU QD . . 3.990 3.743 2.897 4.010 0.020 6 0 "[ . 1 . 2]" 1
384 1 14 MET HA 1 18 LEU H . . 4.140 3.637 3.301 4.193 0.053 6 0 "[ . 1 . 2]" 1
385 1 15 ARG H 1 15 ARG QB . . 3.060 2.231 2.043 2.446 . 0 0 "[ . 1 . 2]" 1
386 1 15 ARG H 1 15 ARG QG . . 3.460 2.781 2.201 3.556 0.096 5 0 "[ . 1 . 2]" 1
387 1 15 ARG H 1 16 ALA H . . 3.160 2.745 2.626 2.797 . 0 0 "[ . 1 . 2]" 1
388 1 15 ARG H 1 16 ALA HA . . 5.420 5.349 5.256 5.395 . 0 0 "[ . 1 . 2]" 1
389 1 15 ARG H 1 17 LEU H . . 4.270 4.226 4.127 4.278 0.008 2 0 "[ . 1 . 2]" 1
390 1 15 ARG H 1 18 LEU H . . 5.070 5.012 4.816 5.082 0.012 18 0 "[ . 1 . 2]" 1
391 1 15 ARG H 1 18 LEU QD . . 4.990 4.482 3.745 4.891 . 0 0 "[ . 1 . 2]" 1
392 1 15 ARG HA 1 17 LEU H . . 4.920 4.607 4.192 4.832 . 0 0 "[ . 1 . 2]" 1
393 1 15 ARG HA 1 18 LEU H . . 4.630 4.136 3.528 4.410 . 0 0 "[ . 1 . 2]" 1
394 1 15 ARG HA 1 18 LEU QB . . 3.840 3.424 2.756 3.797 . 0 0 "[ . 1 . 2]" 1
395 1 15 ARG HA 1 18 LEU QD . . 3.940 3.327 2.455 3.940 0.000 10 0 "[ . 1 . 2]" 1
396 1 15 ARG HA 1 31 VAL MG1 . . 3.600 2.920 2.279 3.567 . 0 0 "[ . 1 . 2]" 1
397 1 15 ARG HA 1 31 VAL MG2 . . 5.240 4.735 4.175 5.266 0.026 8 0 "[ . 1 . 2]" 1
398 1 15 ARG QB 1 16 ALA H . . 3.220 2.743 2.664 2.811 . 0 0 "[ . 1 . 2]" 1
399 1 15 ARG QD 1 31 VAL HB . . 4.440 2.609 1.950 3.970 . 0 0 "[ . 1 . 2]" 1
400 1 15 ARG QD 1 31 VAL MG2 . . 5.280 3.303 2.270 4.552 . 0 0 "[ . 1 . 2]" 1
401 1 15 ARG QD 1 32 ALA H . . 4.700 4.139 3.454 4.709 0.009 5 0 "[ . 1 . 2]" 1
402 1 16 ALA H 1 16 ALA MB . . 2.570 2.190 2.037 2.283 . 0 0 "[ . 1 . 2]" 1
403 1 16 ALA H 1 17 LEU H . . 2.990 2.483 2.376 2.650 . 0 0 "[ . 1 . 2]" 1
404 1 16 ALA H 1 18 LEU H . . 4.430 4.397 3.985 4.458 0.028 20 0 "[ . 1 . 2]" 1
405 1 16 ALA H 1 19 HIS H . . 5.000 4.646 4.511 4.759 . 0 0 "[ . 1 . 2]" 1
406 1 16 ALA H 1 31 VAL MG2 . . 5.500 5.488 5.328 5.523 0.023 5 0 "[ . 1 . 2]" 1
407 1 16 ALA HA 1 19 HIS H . . 3.840 3.699 3.442 3.870 0.030 6 0 "[ . 1 . 2]" 1
408 1 16 ALA HA 1 19 HIS HB2 . . 4.140 3.620 3.410 3.848 . 0 0 "[ . 1 . 2]" 1
409 1 16 ALA HA 1 19 HIS HB3 . . 3.790 2.500 2.264 2.767 . 0 0 "[ . 1 . 2]" 1
410 1 16 ALA HA 1 31 VAL MG1 . . 4.430 4.141 3.770 4.435 0.005 17 0 "[ . 1 . 2]" 1
411 1 16 ALA MB 1 17 LEU H . . 3.130 2.603 2.405 2.785 . 0 0 "[ . 1 . 2]" 1
412 1 16 ALA MB 1 19 HIS H . . 5.190 4.742 4.582 4.900 . 0 0 "[ . 1 . 2]" 1
413 1 16 ALA MB 1 19 HIS HB3 . . 5.280 4.042 3.816 4.283 . 0 0 "[ . 1 . 2]" 1
414 1 17 LEU H 1 17 LEU HB2 . . 2.900 2.457 2.237 2.696 . 0 0 "[ . 1 . 2]" 1
415 1 17 LEU H 1 17 LEU QB . . 2.530 2.206 2.154 2.243 . 0 0 "[ . 1 . 2]" 1
416 1 17 LEU H 1 17 LEU HB3 . . 2.900 2.573 2.344 2.808 . 0 0 "[ . 1 . 2]" 1
417 1 17 LEU H 1 17 LEU MD1 . . 4.520 4.176 3.943 4.264 . 0 0 "[ . 1 . 2]" 1
418 1 17 LEU H 1 17 LEU QD . . 3.930 3.606 3.471 3.716 . 0 0 "[ . 1 . 2]" 1
419 1 17 LEU H 1 17 LEU MD2 . . 4.520 3.958 3.681 4.120 . 0 0 "[ . 1 . 2]" 1
420 1 17 LEU H 1 18 LEU H . . 3.150 2.867 2.521 3.021 . 0 0 "[ . 1 . 2]" 1
421 1 17 LEU H 1 18 LEU QD . . 5.440 4.777 3.569 5.143 . 0 0 "[ . 1 . 2]" 1
422 1 17 LEU H 1 19 HIS H . . 4.280 4.032 3.810 4.283 0.003 12 0 "[ . 1 . 2]" 1
423 1 17 LEU HA 1 17 LEU MD1 . . 4.120 2.971 2.286 3.447 . 0 0 "[ . 1 . 2]" 1
424 1 17 LEU HA 1 17 LEU QD . . 2.970 2.049 1.907 2.447 . 0 0 "[ . 1 . 2]" 1
425 1 17 LEU HA 1 17 LEU MD2 . . 4.120 2.386 1.932 3.968 . 0 0 "[ . 1 . 2]" 1
426 1 17 LEU HA 1 20 ALA H . . 4.160 3.641 3.426 3.857 . 0 0 "[ . 1 . 2]" 1
427 1 17 LEU HA 1 20 ALA MB . . 3.420 2.977 2.707 3.230 . 0 0 "[ . 1 . 2]" 1
428 1 17 LEU HA 1 21 THR H . . 4.640 4.151 3.800 4.646 0.006 6 0 "[ . 1 . 2]" 1
429 1 17 LEU QB 1 17 LEU QD . . 2.670 1.947 1.823 2.011 . 0 0 "[ . 1 . 2]" 1
430 1 17 LEU QB 1 18 LEU H . . 4.090 2.182 2.049 2.681 . 0 0 "[ . 1 . 2]" 1
431 1 17 LEU QD 1 18 LEU H . . 3.580 2.908 2.571 3.508 . 0 0 "[ . 1 . 2]" 1
432 1 17 LEU QD 1 18 LEU HA . . 4.490 2.916 2.370 3.933 . 0 0 "[ . 1 . 2]" 1
433 1 17 LEU QD 1 20 ALA H . . 4.790 4.219 3.981 4.731 . 0 0 "[ . 1 . 2]" 1
434 1 17 LEU QD 1 20 ALA MB . . 3.570 3.263 2.987 3.562 . 0 0 "[ . 1 . 2]" 1
435 1 17 LEU QD 1 21 THR H . . 3.860 3.486 3.268 3.875 0.015 5 0 "[ . 1 . 2]" 1
436 1 17 LEU QD 1 21 THR HA . . 4.760 4.336 4.104 4.748 . 0 0 "[ . 1 . 2]" 1
437 1 17 LEU QD 1 21 THR HB . . 4.780 4.085 3.637 4.714 . 0 0 "[ . 1 . 2]" 1
438 1 17 LEU QD 1 109 PRO HB3 . . 3.670 2.709 2.215 3.086 . 0 0 "[ . 1 . 2]" 1
439 1 17 LEU QD 1 109 PRO QD . . 4.100 2.730 2.372 3.183 . 0 0 "[ . 1 . 2]" 1
440 1 17 LEU QD 1 109 PRO HG2 . . 4.630 4.436 4.153 4.639 0.009 17 0 "[ . 1 . 2]" 1
441 1 17 LEU QD 1 109 PRO HG3 . . 3.390 3.326 2.989 3.406 0.016 2 0 "[ . 1 . 2]" 1
442 1 17 LEU MD1 1 18 LEU H . . 4.480 3.117 2.598 4.299 . 0 0 "[ . 1 . 2]" 1
443 1 17 LEU MD1 1 21 THR HB . . 5.500 4.264 3.708 5.125 . 0 0 "[ . 1 . 2]" 1
444 1 17 LEU MD1 1 109 PRO HB3 . . 4.210 2.820 2.238 3.282 . 0 0 "[ . 1 . 2]" 1
445 1 17 LEU MD1 1 109 PRO HD2 . . 5.500 4.487 3.989 5.435 . 0 0 "[ . 1 . 2]" 1
446 1 17 LEU MD1 1 109 PRO HD3 . . 5.500 2.969 2.406 4.059 . 0 0 "[ . 1 . 2]" 1
447 1 17 LEU MD2 1 18 LEU H . . 4.480 4.074 3.482 4.421 . 0 0 "[ . 1 . 2]" 1
448 1 17 LEU MD2 1 21 THR HB . . 5.500 5.394 4.841 5.527 0.027 5 0 "[ . 1 . 2]" 1
449 1 17 LEU MD2 1 109 PRO HB3 . . 4.210 3.628 3.152 4.133 . 0 0 "[ . 1 . 2]" 1
450 1 17 LEU MD2 1 109 PRO HD2 . . 5.500 5.319 4.473 5.514 0.014 8 0 "[ . 1 . 2]" 1
451 1 17 LEU MD2 1 109 PRO HD3 . . 5.500 3.920 3.000 4.260 . 0 0 "[ . 1 . 2]" 1
452 1 18 LEU H 1 18 LEU QB . . 2.820 2.478 2.140 2.649 . 0 0 "[ . 1 . 2]" 1
453 1 18 LEU H 1 18 LEU MD1 . . 4.020 3.439 1.970 4.202 0.182 11 0 "[ . 1 . 2]" 1
454 1 18 LEU H 1 18 LEU QD . . 3.450 2.945 1.966 3.444 . 0 0 "[ . 1 . 2]" 1
455 1 18 LEU H 1 18 LEU MD2 . . 4.020 3.347 2.698 4.059 0.039 6 0 "[ . 1 . 2]" 1
456 1 18 LEU H 1 18 LEU HG . . 3.180 2.253 1.948 3.258 0.078 11 0 "[ . 1 . 2]" 1
457 1 18 LEU H 1 19 HIS H . . 3.240 2.733 2.366 2.859 . 0 0 "[ . 1 . 2]" 1
458 1 18 LEU H 1 19 HIS HA . . 5.500 5.320 5.011 5.415 . 0 0 "[ . 1 . 2]" 1
459 1 18 LEU H 1 19 HIS HB2 . . 5.450 5.220 4.947 5.371 . 0 0 "[ . 1 . 2]" 1
460 1 18 LEU H 1 19 HIS HB3 . . 4.970 4.838 4.384 4.993 0.023 5 0 "[ . 1 . 2]" 1
461 1 18 LEU H 1 20 ALA H . . 4.340 4.223 3.991 4.348 0.008 9 0 "[ . 1 . 2]" 1
462 1 18 LEU H 1 21 THR H . . 4.830 4.735 4.651 4.848 0.018 6 0 "[ . 1 . 2]" 1
463 1 18 LEU HA 1 18 LEU QD . . 2.960 2.192 1.947 3.016 0.056 6 0 "[ . 1 . 2]" 1
464 1 18 LEU HA 1 18 LEU HG . . 4.170 3.075 2.366 3.659 . 0 0 "[ . 1 . 2]" 1
465 1 18 LEU HA 1 109 PRO HB3 . . 5.300 5.128 4.334 5.310 0.010 3 0 "[ . 1 . 2]" 1
466 1 18 LEU HA 1 112 LEU QD . . 4.200 2.943 2.233 4.013 . 0 0 "[ . 1 . 2]" 1
467 1 18 LEU QB 1 19 HIS H . . 3.040 2.576 2.294 3.257 0.217 11 0 "[ . 1 . 2]" 1
468 1 18 LEU QB 1 19 HIS HA . . 4.630 3.882 3.776 4.689 0.059 11 0 "[ . 1 . 2]" 1
469 1 18 LEU QB 1 19 HIS HB2 . . 5.330 4.264 4.093 5.216 . 0 0 "[ . 1 . 2]" 1
470 1 18 LEU QB 1 19 HIS HB3 . . 5.230 4.719 4.534 5.321 0.091 11 0 "[ . 1 . 2]" 1
471 1 18 LEU QD 1 19 HIS H . . 4.780 3.957 3.255 4.169 . 0 0 "[ . 1 . 2]" 1
472 1 19 HIS H 1 19 HIS HB2 . . 3.000 2.629 2.557 2.747 . 0 0 "[ . 1 . 2]" 1
473 1 19 HIS H 1 19 HIS HB3 . . 3.010 2.443 2.334 2.509 . 0 0 "[ . 1 . 2]" 1
474 1 19 HIS H 1 19 HIS HD2 . . 5.190 5.063 4.943 5.198 0.008 11 0 "[ . 1 . 2]" 1
475 1 19 HIS H 1 20 ALA MB . . 5.450 4.371 4.173 4.505 . 0 0 "[ . 1 . 2]" 1
476 1 19 HIS H 1 29 VAL QG . . 4.640 4.060 3.761 4.518 . 0 0 "[ . 1 . 2]" 1
477 1 19 HIS H 1 31 VAL MG1 . . 4.090 3.793 3.561 4.042 . 0 0 "[ . 1 . 2]" 1
478 1 19 HIS HA 1 19 HIS HD2 . . 4.020 2.709 2.503 2.939 . 0 0 "[ . 1 . 2]" 1
479 1 19 HIS HA 1 20 ALA MB . . 5.110 5.017 5.000 5.033 . 0 0 "[ . 1 . 2]" 1
480 1 19 HIS HA 1 22 LEU H . . 5.040 3.946 3.857 4.178 . 0 0 "[ . 1 . 2]" 1
481 1 19 HIS HA 1 23 ALA H . . 4.280 4.073 3.875 4.273 . 0 0 "[ . 1 . 2]" 1
482 1 19 HIS HA 1 23 ALA MB . . 4.670 4.226 4.070 4.395 . 0 0 "[ . 1 . 2]" 1
483 1 19 HIS HA 1 29 VAL H . . 5.500 5.508 5.457 5.546 0.046 6 0 "[ . 1 . 2]" 1
484 1 19 HIS HA 1 29 VAL HB . . 4.410 4.070 3.091 4.420 0.010 13 0 "[ . 1 . 2]" 1
485 1 19 HIS HA 1 29 VAL MG1 . . 3.790 2.167 1.967 2.997 . 0 0 "[ . 1 . 2]" 1
486 1 19 HIS HA 1 29 VAL QG . . 3.020 2.055 1.831 2.752 . 0 0 "[ . 1 . 2]" 1
487 1 19 HIS HA 1 29 VAL MG2 . . 3.790 2.605 2.172 3.205 . 0 0 "[ . 1 . 2]" 1
488 1 19 HIS HA 1 31 VAL MG1 . . 3.960 3.689 3.510 3.854 . 0 0 "[ . 1 . 2]" 1
489 1 19 HIS HB2 1 19 HIS HD2 . . 3.970 3.201 3.010 3.516 . 0 0 "[ . 1 . 2]" 1
490 1 19 HIS HB2 1 20 ALA MB . . 5.500 5.312 5.245 5.428 . 0 0 "[ . 1 . 2]" 1
491 1 19 HIS HB2 1 29 VAL MG1 . . 5.500 3.732 3.428 3.906 . 0 0 "[ . 1 . 2]" 1
492 1 19 HIS HB2 1 29 VAL QG . . 3.970 3.313 3.000 3.726 . 0 0 "[ . 1 . 2]" 1
493 1 19 HIS HB2 1 29 VAL MG2 . . 5.500 3.831 3.314 4.975 . 0 0 "[ . 1 . 2]" 1
494 1 19 HIS HB2 1 31 VAL HB . . 5.500 4.972 4.716 5.219 . 0 0 "[ . 1 . 2]" 1
495 1 19 HIS HB2 1 31 VAL MG1 . . 3.500 2.183 1.992 2.481 . 0 0 "[ . 1 . 2]" 1
496 1 19 HIS HB2 1 31 VAL MG2 . . 4.070 3.813 3.477 4.072 0.002 6 0 "[ . 1 . 2]" 1
497 1 19 HIS HB3 1 20 ALA H . . 3.120 2.675 2.566 2.814 . 0 0 "[ . 1 . 2]" 1
498 1 19 HIS HB3 1 20 ALA MB . . 5.500 3.945 3.825 4.141 . 0 0 "[ . 1 . 2]" 1
499 1 19 HIS HB3 1 29 VAL MG1 . . 5.500 4.435 4.138 5.099 . 0 0 "[ . 1 . 2]" 1
500 1 19 HIS HB3 1 29 VAL MG2 . . 5.500 4.894 4.522 5.533 0.033 18 0 "[ . 1 . 2]" 1
501 1 19 HIS HB3 1 31 VAL MG1 . . 4.290 3.472 3.194 3.819 . 0 0 "[ . 1 . 2]" 1
502 1 19 HIS HD2 1 23 ALA MB . . 3.760 3.561 2.608 3.770 0.010 2 0 "[ . 1 . 2]" 1
503 1 19 HIS HD2 1 29 VAL H . . 4.600 4.107 3.639 4.401 . 0 0 "[ . 1 . 2]" 1
504 1 19 HIS HD2 1 29 VAL HB . . 4.440 3.919 1.955 4.453 0.013 5 0 "[ . 1 . 2]" 1
505 1 19 HIS HD2 1 29 VAL MG1 . . 3.660 2.204 1.887 3.377 . 0 0 "[ . 1 . 2]" 1
506 1 19 HIS HD2 1 29 VAL QG . . 3.160 2.022 1.825 2.646 . 0 0 "[ . 1 . 2]" 1
507 1 19 HIS HD2 1 29 VAL MG2 . . 3.660 2.647 2.304 2.853 . 0 0 "[ . 1 . 2]" 1
508 1 19 HIS HD2 1 31 VAL H . . 5.500 4.658 4.212 5.582 0.082 18 0 "[ . 1 . 2]" 1
509 1 19 HIS HD2 1 31 VAL MG1 . . 4.390 3.717 2.970 4.297 . 0 0 "[ . 1 . 2]" 1
510 1 19 HIS HE1 1 23 ALA MB . . 4.580 4.250 3.522 4.602 0.022 18 0 "[ . 1 . 2]" 1
511 1 19 HIS HE1 1 29 VAL QG . . 5.440 4.927 4.399 5.495 0.055 18 0 "[ . 1 . 2]" 1
512 1 19 HIS HE1 1 31 VAL MG1 . . 5.500 5.371 4.794 5.513 0.013 5 0 "[ . 1 . 2]" 1
513 1 20 ALA H 1 20 ALA MB . . 2.640 2.171 2.035 2.256 . 0 0 "[ . 1 . 2]" 1
514 1 20 ALA H 1 21 THR H . . 3.120 2.556 2.466 2.656 . 0 0 "[ . 1 . 2]" 1
515 1 20 ALA H 1 22 LEU H . . 4.780 4.291 4.025 4.678 . 0 0 "[ . 1 . 2]" 1
516 1 20 ALA H 1 23 ALA H . . 4.900 4.540 4.429 4.773 . 0 0 "[ . 1 . 2]" 1
517 1 20 ALA H 1 23 ALA MB . . 4.170 4.175 4.140 4.200 0.030 2 0 "[ . 1 . 2]" 1
518 1 20 ALA HA 1 23 ALA H . . 3.650 3.310 3.167 3.654 0.004 6 0 "[ . 1 . 2]" 1
519 1 20 ALA HA 1 23 ALA MB . . 2.880 2.014 1.959 2.182 . 0 0 "[ . 1 . 2]" 1
520 1 20 ALA MB 1 21 THR H . . 3.000 2.570 2.360 2.795 . 0 0 "[ . 1 . 2]" 1
521 1 20 ALA MB 1 21 THR HA . . 4.260 3.755 3.640 3.810 . 0 0 "[ . 1 . 2]" 1
522 1 21 THR H 1 21 THR HB . . 3.500 2.906 2.713 3.088 . 0 0 "[ . 1 . 2]" 1
523 1 21 THR H 1 21 THR MG . . 3.670 3.679 3.562 3.755 0.085 17 0 "[ . 1 . 2]" 1
524 1 21 THR H 1 22 LEU H . . 3.120 2.876 2.789 3.025 . 0 0 "[ . 1 . 2]" 1
525 1 21 THR H 1 22 LEU HB2 . . 5.220 4.877 4.821 5.014 . 0 0 "[ . 1 . 2]" 1
526 1 21 THR H 1 23 ALA H . . 4.110 4.048 3.947 4.116 0.006 15 0 "[ . 1 . 2]" 1
527 1 21 THR H 1 24 GLN H . . 5.120 4.851 4.628 4.972 . 0 0 "[ . 1 . 2]" 1
528 1 21 THR HA 1 21 THR MG . . 3.050 2.267 2.142 2.380 . 0 0 "[ . 1 . 2]" 1
529 1 21 THR HA 1 24 GLN H . . 4.590 4.138 3.882 4.274 . 0 0 "[ . 1 . 2]" 1
530 1 21 THR HA 1 24 GLN QB . . 4.670 3.721 3.199 4.551 . 0 0 "[ . 1 . 2]" 1
531 1 21 THR HA 1 24 GLN HG2 . . 4.850 4.139 2.631 4.781 . 0 0 "[ . 1 . 2]" 1
532 1 21 THR HA 1 24 GLN QG . . 4.260 3.676 2.509 4.155 . 0 0 "[ . 1 . 2]" 1
533 1 21 THR HA 1 24 GLN HG3 . . 4.850 4.196 3.165 4.604 . 0 0 "[ . 1 . 2]" 1
534 1 21 THR HA 1 112 LEU QD . . 5.310 5.037 4.538 5.290 . 0 0 "[ . 1 . 2]" 1
535 1 21 THR HA 1 113 VAL QG . . 3.970 3.889 3.650 3.986 0.016 20 0 "[ . 1 . 2]" 1
536 1 21 THR HB 1 22 LEU H . . 3.160 2.459 2.168 2.666 . 0 0 "[ . 1 . 2]" 1
537 1 21 THR HB 1 22 LEU HB2 . . 4.800 4.231 4.027 4.441 . 0 0 "[ . 1 . 2]" 1
538 1 21 THR HB 1 22 LEU HG . . 4.540 3.366 3.074 3.581 . 0 0 "[ . 1 . 2]" 1
539 1 21 THR HB 1 23 ALA H . . 5.120 4.787 4.596 4.937 . 0 0 "[ . 1 . 2]" 1
540 1 21 THR HB 1 112 LEU QD . . 4.060 2.708 2.098 3.122 . 0 0 "[ . 1 . 2]" 1
541 1 21 THR HB 1 113 VAL QG . . 3.320 3.225 2.892 3.330 0.010 17 0 "[ . 1 . 2]" 1
542 1 21 THR MG 1 22 LEU H . . 3.970 3.748 3.587 3.891 . 0 0 "[ . 1 . 2]" 1
543 1 21 THR MG 1 24 GLN H . . 5.500 5.378 5.080 5.503 0.003 6 0 "[ . 1 . 2]" 1
544 1 21 THR MG 1 25 ALA H . . 5.500 5.059 4.787 5.213 . 0 0 "[ . 1 . 2]" 1
545 1 21 THR MG 1 109 PRO HB2 . . 3.200 2.197 2.042 2.490 . 0 0 "[ . 1 . 2]" 1
546 1 21 THR MG 1 109 PRO HB3 . . 3.290 2.287 2.053 2.666 . 0 0 "[ . 1 . 2]" 1
547 1 21 THR MG 1 109 PRO HG2 . . 4.590 4.155 3.996 4.371 . 0 0 "[ . 1 . 2]" 1
548 1 21 THR MG 1 111 VAL H . . 5.410 5.326 5.084 5.417 0.007 1 0 "[ . 1 . 2]" 1
549 1 21 THR MG 1 112 LEU H . . 4.820 4.549 4.158 4.755 . 0 0 "[ . 1 . 2]" 1
550 1 21 THR MG 1 112 LEU QD . . 3.070 2.897 2.425 3.084 0.014 17 0 "[ . 1 . 2]" 1
551 1 21 THR MG 1 113 VAL H . . 3.810 3.390 3.199 3.604 . 0 0 "[ . 1 . 2]" 1
552 1 21 THR MG 1 113 VAL HA . . 4.920 4.294 4.088 4.443 . 0 0 "[ . 1 . 2]" 1
553 1 21 THR MG 1 114 GLU H . . 5.500 5.431 5.302 5.507 0.007 7 0 "[ . 1 . 2]" 1
554 1 22 LEU H 1 22 LEU HB2 . . 3.280 2.228 2.167 2.322 . 0 0 "[ . 1 . 2]" 1
555 1 22 LEU H 1 22 LEU HB3 . . 4.190 3.519 3.461 3.559 . 0 0 "[ . 1 . 2]" 1
556 1 22 LEU H 1 22 LEU MD1 . . 4.230 3.608 3.351 3.859 . 0 0 "[ . 1 . 2]" 1
557 1 22 LEU H 1 22 LEU QD . . 3.530 3.356 3.182 3.483 . 0 0 "[ . 1 . 2]" 1
558 1 22 LEU H 1 22 LEU MD2 . . 4.230 4.012 3.859 4.237 0.007 18 0 "[ . 1 . 2]" 1
559 1 22 LEU H 1 22 LEU HG . . 3.580 2.959 2.606 3.254 . 0 0 "[ . 1 . 2]" 1
560 1 22 LEU H 1 23 ALA H . . 3.090 2.443 2.340 2.639 . 0 0 "[ . 1 . 2]" 1
561 1 22 LEU H 1 23 ALA HA . . 5.430 5.070 4.978 5.233 . 0 0 "[ . 1 . 2]" 1
562 1 22 LEU H 1 23 ALA MB . . 4.410 4.081 3.937 4.233 . 0 0 "[ . 1 . 2]" 1
563 1 22 LEU H 1 25 ALA H . . 4.960 4.863 4.762 4.958 . 0 0 "[ . 1 . 2]" 1
564 1 22 LEU H 1 25 ALA MB . . 4.870 4.743 4.515 4.831 . 0 0 "[ . 1 . 2]" 1
565 1 22 LEU H 1 29 VAL QG . . 3.850 3.313 3.121 3.780 . 0 0 "[ . 1 . 2]" 1
566 1 22 LEU HA 1 22 LEU MD1 . . 3.990 3.836 3.785 3.875 . 0 0 "[ . 1 . 2]" 1
567 1 22 LEU HA 1 22 LEU QD . . 2.970 2.275 1.959 2.566 . 0 0 "[ . 1 . 2]" 1
568 1 22 LEU HA 1 22 LEU MD2 . . 3.990 2.293 1.965 2.610 . 0 0 "[ . 1 . 2]" 1
569 1 22 LEU HA 1 22 LEU HG . . 3.810 2.719 2.483 2.883 . 0 0 "[ . 1 . 2]" 1
570 1 22 LEU HA 1 25 ALA H . . 3.480 3.435 3.257 3.513 0.033 10 0 "[ . 1 . 2]" 1
571 1 22 LEU HA 1 25 ALA MB . . 3.210 2.487 2.327 2.551 . 0 0 "[ . 1 . 2]" 1
572 1 22 LEU HA 1 26 GLY H . . 5.210 4.803 4.635 4.916 . 0 0 "[ . 1 . 2]" 1
573 1 22 LEU HA 1 27 TYR QD . . 3.790 2.748 2.534 2.926 . 0 0 "[ . 1 . 2]" 1
574 1 22 LEU HA 1 27 TYR QE . . 4.820 4.250 3.983 4.453 . 0 0 "[ . 1 . 2]" 1
575 1 22 LEU HA 1 29 VAL QG . . 5.440 3.945 3.840 4.045 . 0 0 "[ . 1 . 2]" 1
576 1 22 LEU HA 1 113 VAL QG . . 3.950 3.355 2.949 3.633 . 0 0 "[ . 1 . 2]" 1
577 1 22 LEU HB2 1 22 LEU MD1 . . 3.460 2.249 1.993 2.364 . 0 0 "[ . 1 . 2]" 1
578 1 22 LEU HB2 1 22 LEU QD . . 2.960 2.204 1.970 2.304 . 0 0 "[ . 1 . 2]" 1
579 1 22 LEU HB2 1 22 LEU MD2 . . 3.460 3.166 3.108 3.193 . 0 0 "[ . 1 . 2]" 1
580 1 22 LEU HB2 1 23 ALA H . . 3.630 2.825 2.697 2.914 . 0 0 "[ . 1 . 2]" 1
581 1 22 LEU HB2 1 27 TYR QD . . 4.710 4.652 4.447 4.728 0.018 5 0 "[ . 1 . 2]" 1
582 1 22 LEU HB2 1 29 VAL QG . . 3.380 1.987 1.905 2.191 . 0 0 "[ . 1 . 2]" 1
583 1 22 LEU HB3 1 22 LEU QD . . 3.070 2.027 1.960 2.076 . 0 0 "[ . 1 . 2]" 1
584 1 22 LEU HB3 1 23 ALA H . . 3.730 3.463 3.241 3.602 . 0 0 "[ . 1 . 2]" 1
585 1 22 LEU HB3 1 25 ALA H . . 5.500 5.139 4.960 5.265 . 0 0 "[ . 1 . 2]" 1
586 1 22 LEU HB3 1 27 TYR H . . 4.710 4.633 4.431 4.722 0.012 15 0 "[ . 1 . 2]" 1
587 1 22 LEU HB3 1 27 TYR HB2 . . 4.860 2.529 2.311 2.706 . 0 0 "[ . 1 . 2]" 1
588 1 22 LEU HB3 1 27 TYR HB3 . . 4.780 3.913 3.652 4.128 . 0 0 "[ . 1 . 2]" 1
589 1 22 LEU HB3 1 27 TYR QD . . 4.700 3.228 3.017 3.349 . 0 0 "[ . 1 . 2]" 1
590 1 22 LEU HB3 1 29 VAL QG . . 3.860 2.256 2.009 2.522 . 0 0 "[ . 1 . 2]" 1
591 1 22 LEU QD 1 25 ALA H . . 5.210 4.801 4.635 4.919 . 0 0 "[ . 1 . 2]" 1
592 1 22 LEU QD 1 25 ALA MB . . 3.480 3.201 3.023 3.358 . 0 0 "[ . 1 . 2]" 1
593 1 22 LEU QD 1 27 TYR H . . 4.500 4.186 3.875 4.398 . 0 0 "[ . 1 . 2]" 1
594 1 22 LEU QD 1 27 TYR HB2 . . 4.030 2.425 2.047 2.731 . 0 0 "[ . 1 . 2]" 1
595 1 22 LEU QD 1 27 TYR HB3 . . 4.540 3.180 2.837 3.462 . 0 0 "[ . 1 . 2]" 1
596 1 22 LEU QD 1 27 TYR QD . . 3.200 2.015 1.908 2.191 . 0 0 "[ . 1 . 2]" 1
597 1 22 LEU QD 1 27 TYR QE . . 3.790 3.125 2.801 3.313 . 0 0 "[ . 1 . 2]" 1
598 1 22 LEU QD 1 113 VAL HA . . 3.790 3.138 2.474 3.439 . 0 0 "[ . 1 . 2]" 1
599 1 22 LEU MD1 1 27 TYR QD . . 4.390 4.321 4.042 4.396 0.006 18 0 "[ . 1 . 2]" 1
600 1 22 LEU MD2 1 27 TYR QD . . 4.390 2.019 1.911 2.197 . 0 0 "[ . 1 . 2]" 1
601 1 22 LEU HG 1 27 TYR QD . . 4.840 4.326 4.030 4.610 . 0 0 "[ . 1 . 2]" 1
602 1 22 LEU HG 1 113 VAL HA . . 5.190 4.330 3.692 4.905 . 0 0 "[ . 1 . 2]" 1
603 1 23 ALA H 1 23 ALA MB . . 2.740 2.177 2.060 2.236 . 0 0 "[ . 1 . 2]" 1
604 1 23 ALA H 1 24 GLN H . . 3.010 2.843 2.753 2.912 . 0 0 "[ . 1 . 2]" 1
605 1 23 ALA H 1 25 ALA H . . 4.020 4.036 3.982 4.073 0.053 8 0 "[ . 1 . 2]" 1
606 1 23 ALA H 1 25 ALA MB . . 4.630 4.628 4.577 4.653 0.023 10 0 "[ . 1 . 2]" 1
607 1 23 ALA H 1 26 GLY H . . 5.380 4.948 4.893 5.017 . 0 0 "[ . 1 . 2]" 1
608 1 23 ALA H 1 29 VAL HB . . 5.190 4.673 4.300 4.891 . 0 0 "[ . 1 . 2]" 1
609 1 23 ALA H 1 29 VAL QG . . 3.270 2.619 2.174 3.278 0.008 20 0 "[ . 1 . 2]" 1
610 1 23 ALA HA 1 25 ALA H . . 4.260 4.224 4.172 4.287 0.027 8 0 "[ . 1 . 2]" 1
611 1 23 ALA HA 1 26 GLY H . . 3.800 3.495 3.446 3.603 . 0 0 "[ . 1 . 2]" 1
612 1 23 ALA MB 1 24 GLN H . . 2.990 2.409 2.311 2.516 . 0 0 "[ . 1 . 2]" 1
613 1 23 ALA MB 1 24 GLN HG2 . . 5.490 3.566 3.181 4.228 . 0 0 "[ . 1 . 2]" 1
614 1 23 ALA MB 1 24 GLN QG . . 4.820 3.455 3.127 4.014 . 0 0 "[ . 1 . 2]" 1
615 1 23 ALA MB 1 24 GLN HG3 . . 5.490 4.859 4.150 5.477 . 0 0 "[ . 1 . 2]" 1
616 1 23 ALA MB 1 25 ALA H . . 4.480 4.318 4.272 4.372 . 0 0 "[ . 1 . 2]" 1
617 1 23 ALA MB 1 26 GLY H . . 4.800 4.409 4.369 4.517 . 0 0 "[ . 1 . 2]" 1
618 1 23 ALA MB 1 29 VAL H . . 4.450 4.105 3.597 4.450 . 0 0 "[ . 1 . 2]" 1
619 1 24 GLN H 1 24 GLN QB . . 2.640 2.418 2.290 2.643 0.003 12 0 "[ . 1 . 2]" 1
620 1 24 GLN H 1 24 GLN HG2 . . 4.010 2.336 1.997 2.565 . 0 0 "[ . 1 . 2]" 1
621 1 24 GLN H 1 24 GLN QG . . 3.260 2.261 1.985 2.508 . 0 0 "[ . 1 . 2]" 1
622 1 24 GLN H 1 24 GLN HG3 . . 4.010 3.471 2.157 3.773 . 0 0 "[ . 1 . 2]" 1
623 1 24 GLN H 1 25 ALA H . . 2.870 2.711 2.607 2.758 . 0 0 "[ . 1 . 2]" 1
624 1 24 GLN HA 1 24 GLN HG2 . . 3.990 3.082 2.716 3.966 . 0 0 "[ . 1 . 2]" 1
625 1 24 GLN HA 1 24 GLN HG3 . . 3.990 3.733 3.555 3.968 . 0 0 "[ . 1 . 2]" 1
626 1 24 GLN QB 1 25 ALA H . . 3.140 2.908 2.712 3.428 0.288 17 0 "[ . 1 . 2]" 1
627 1 24 GLN QB 1 26 GLY H . . 5.340 4.554 4.480 4.761 . 0 0 "[ . 1 . 2]" 1
628 1 24 GLN QG 1 25 ALA H . . 4.320 3.689 1.948 4.311 . 0 0 "[ . 1 . 2]" 1
629 1 25 ALA H 1 25 ALA MB . . 2.680 2.150 2.034 2.212 . 0 0 "[ . 1 . 2]" 1
630 1 25 ALA H 1 26 GLY H . . 2.820 2.569 2.562 2.587 . 0 0 "[ . 1 . 2]" 1
631 1 25 ALA H 1 26 GLY HA2 . . 5.030 4.963 4.943 4.982 . 0 0 "[ . 1 . 2]" 1
632 1 25 ALA H 1 26 GLY HA3 . . 5.470 5.226 5.219 5.239 . 0 0 "[ . 1 . 2]" 1
633 1 25 ALA H 1 113 VAL QG . . 4.920 4.521 4.307 4.653 . 0 0 "[ . 1 . 2]" 1
634 1 25 ALA HA 1 27 TYR H . . 4.820 4.626 4.522 4.800 . 0 0 "[ . 1 . 2]" 1
635 1 25 ALA HA 1 113 VAL MG1 . . 5.500 4.987 4.641 5.205 . 0 0 "[ . 1 . 2]" 1
636 1 25 ALA HA 1 113 VAL QG . . 4.730 4.602 4.326 4.735 0.005 3 0 "[ . 1 . 2]" 1
637 1 25 ALA HA 1 113 VAL MG2 . . 5.500 5.411 5.072 5.501 0.001 12 0 "[ . 1 . 2]" 1
638 1 25 ALA MB 1 26 GLY H . . 3.510 2.995 2.967 3.042 . 0 0 "[ . 1 . 2]" 1
639 1 25 ALA MB 1 26 GLY HA2 . . 4.970 4.695 4.674 4.701 . 0 0 "[ . 1 . 2]" 1
640 1 25 ALA MB 1 26 GLY HA3 . . 4.220 4.118 4.019 4.170 . 0 0 "[ . 1 . 2]" 1
641 1 25 ALA MB 1 27 TYR H . . 4.010 2.854 2.733 2.999 . 0 0 "[ . 1 . 2]" 1
642 1 25 ALA MB 1 27 TYR QD . . 3.350 2.283 1.938 2.514 . 0 0 "[ . 1 . 2]" 1
643 1 25 ALA MB 1 27 TYR QE . . 3.150 2.340 1.975 2.537 . 0 0 "[ . 1 . 2]" 1
644 1 25 ALA MB 1 29 VAL QG . . 5.070 4.914 4.776 5.077 0.007 8 0 "[ . 1 . 2]" 1
645 1 25 ALA MB 1 113 VAL HA . . 4.960 4.862 4.534 4.973 0.013 18 0 "[ . 1 . 2]" 1
646 1 25 ALA MB 1 113 VAL MG1 . . 3.280 3.015 2.710 3.256 . 0 0 "[ . 1 . 2]" 1
647 1 25 ALA MB 1 113 VAL MG2 . . 3.280 3.239 2.946 3.292 0.012 9 0 "[ . 1 . 2]" 1
648 1 26 GLY H 1 26 GLY HA2 . . 2.950 2.454 2.424 2.494 . 0 0 "[ . 1 . 2]" 1
649 1 26 GLY H 1 27 TYR HA . . 5.270 5.088 4.993 5.143 . 0 0 "[ . 1 . 2]" 1
650 1 26 GLY H 1 27 TYR HB2 . . 5.500 4.617 4.546 4.677 . 0 0 "[ . 1 . 2]" 1
651 1 26 GLY H 1 29 VAL QG . . 5.430 5.337 5.151 5.470 0.040 12 0 "[ . 1 . 2]" 1
652 1 26 GLY HA3 1 27 TYR H . . 3.420 2.910 2.813 2.934 . 0 0 "[ . 1 . 2]" 1
653 1 27 TYR H 1 27 TYR HB2 . . 3.130 2.706 2.697 2.722 . 0 0 "[ . 1 . 2]" 1
654 1 27 TYR H 1 27 TYR HB3 . . 3.680 3.578 3.576 3.580 . 0 0 "[ . 1 . 2]" 1
655 1 27 TYR H 1 27 TYR QD . . 3.050 2.810 2.417 2.951 . 0 0 "[ . 1 . 2]" 1
656 1 27 TYR H 1 27 TYR QE . . 4.120 4.105 3.941 4.146 0.026 2 0 "[ . 1 . 2]" 1
657 1 27 TYR H 1 28 GLU H . . 4.820 4.644 4.639 4.646 . 0 0 "[ . 1 . 2]" 1
658 1 27 TYR HA 1 28 GLU H . . 2.800 2.309 2.297 2.319 . 0 0 "[ . 1 . 2]" 1
659 1 27 TYR HB2 1 28 GLU H . . 3.660 3.671 3.660 3.694 0.034 17 0 "[ . 1 . 2]" 1
660 1 27 TYR HB2 1 29 VAL H . . 4.820 4.146 3.892 4.820 . 18 0 "[ . 1 . 2]" 1
661 1 27 TYR HB2 1 29 VAL QG . . 3.890 3.621 2.932 3.904 0.014 6 0 "[ . 1 . 2]" 1
662 1 27 TYR HB3 1 28 GLU H . . 3.210 2.696 2.668 2.742 . 0 0 "[ . 1 . 2]" 1
663 1 27 TYR QD 1 28 GLU H . . 4.300 4.001 3.971 4.078 . 0 0 "[ . 1 . 2]" 1
664 1 27 TYR QD 1 29 VAL QG . . 4.860 4.611 4.070 4.845 . 0 0 "[ . 1 . 2]" 1
665 1 27 TYR QD 1 113 VAL QG . . 4.900 4.044 3.697 4.270 . 0 0 "[ . 1 . 2]" 1
666 1 27 TYR QD 1 116 VAL QG . . 4.360 3.495 2.984 3.742 . 0 0 "[ . 1 . 2]" 1
667 1 27 TYR QE 1 113 VAL MG1 . . 5.060 3.027 2.531 3.340 . 0 0 "[ . 1 . 2]" 1
668 1 27 TYR QE 1 113 VAL QG . . 3.980 2.966 2.495 3.266 . 0 0 "[ . 1 . 2]" 1
669 1 27 TYR QE 1 113 VAL MG2 . . 5.060 4.274 3.780 4.633 . 0 0 "[ . 1 . 2]" 1
670 1 27 TYR QE 1 116 VAL MG1 . . 4.960 3.277 2.466 3.600 . 0 0 "[ . 1 . 2]" 1
671 1 27 TYR QE 1 116 VAL QG . . 3.860 3.151 2.385 3.507 . 0 0 "[ . 1 . 2]" 1
672 1 27 TYR QE 1 116 VAL MG2 . . 4.960 4.156 3.168 4.960 . 0 0 "[ . 1 . 2]" 1
673 1 28 GLU H 1 28 GLU QB . . 3.500 2.358 2.316 2.406 . 0 0 "[ . 1 . 2]" 1
674 1 28 GLU H 1 28 GLU QG . . 4.640 4.075 3.975 4.143 . 0 0 "[ . 1 . 2]" 1
675 1 28 GLU H 1 29 VAL H . . 4.410 3.903 3.780 4.184 . 0 0 "[ . 1 . 2]" 1
676 1 28 GLU HA 1 28 GLU QG . . 3.380 2.644 2.254 2.991 . 0 0 "[ . 1 . 2]" 1
677 1 28 GLU HA 1 29 VAL H . . 2.710 2.309 2.167 2.377 . 0 0 "[ . 1 . 2]" 1
678 1 28 GLU HA 1 29 VAL HB . . 5.280 5.009 4.920 5.070 . 0 0 "[ . 1 . 2]" 1
679 1 28 GLU HA 1 29 VAL QG . . 4.000 3.774 3.580 3.873 . 0 0 "[ . 1 . 2]" 1
680 1 28 GLU QB 1 29 VAL H . . 4.400 4.015 3.937 4.051 . 0 0 "[ . 1 . 2]" 1
681 1 28 GLU QG 1 29 VAL H . . 4.230 3.861 3.551 4.212 . 0 0 "[ . 1 . 2]" 1
682 1 29 VAL H 1 29 VAL HB . . 3.110 2.825 2.706 2.927 . 0 0 "[ . 1 . 2]" 1
683 1 29 VAL H 1 29 VAL MG1 . . 3.840 2.390 1.907 3.834 . 0 0 "[ . 1 . 2]" 1
684 1 29 VAL H 1 29 VAL QG . . 2.840 2.074 1.902 2.302 . 0 0 "[ . 1 . 2]" 1
685 1 29 VAL H 1 29 VAL MG2 . . 3.840 3.483 2.255 3.793 . 0 0 "[ . 1 . 2]" 1
686 1 29 VAL H 1 30 THR H . . 4.830 4.564 4.538 4.586 . 0 0 "[ . 1 . 2]" 1
687 1 29 VAL HA 1 29 VAL MG1 . . 3.320 2.974 2.099 3.193 . 0 0 "[ . 1 . 2]" 1
688 1 29 VAL HA 1 29 VAL MG2 . . 3.320 2.381 2.314 2.512 . 0 0 "[ . 1 . 2]" 1
689 1 29 VAL HA 1 30 THR H . . 2.790 2.240 2.165 2.378 . 0 0 "[ . 1 . 2]" 1
690 1 29 VAL HB 1 30 THR H . . 4.090 3.883 3.361 4.095 0.005 6 0 "[ . 1 . 2]" 1
691 1 29 VAL QG 1 30 THR H . . 2.950 2.144 1.883 2.401 . 0 0 "[ . 1 . 2]" 1
692 1 29 VAL QG 1 31 VAL H . . 5.440 4.132 3.890 4.411 . 0 0 "[ . 1 . 2]" 1
693 1 29 VAL QG 1 31 VAL HA . . 4.880 4.309 4.167 4.507 . 0 0 "[ . 1 . 2]" 1
694 1 29 VAL MG1 1 30 THR H . . 4.260 3.505 1.887 4.022 . 0 0 "[ . 1 . 2]" 1
695 1 29 VAL MG2 1 30 THR H . . 4.260 2.571 2.027 3.980 . 0 0 "[ . 1 . 2]" 1
696 1 30 THR H 1 30 THR HB . . 3.200 2.819 2.658 2.921 . 0 0 "[ . 1 . 2]" 1
697 1 30 THR H 1 30 THR MG . . 4.030 3.922 3.860 3.959 . 0 0 "[ . 1 . 2]" 1
698 1 30 THR H 1 31 VAL H . . 4.410 4.293 3.943 4.437 0.027 11 0 "[ . 1 . 2]" 1
699 1 30 THR H 1 31 VAL MG1 . . 4.700 4.376 3.852 4.704 0.004 4 0 "[ . 1 . 2]" 1
700 1 30 THR H 1 47 TYR QE . . 4.760 4.655 4.316 4.770 0.010 1 0 "[ . 1 . 2]" 1
701 1 30 THR HA 1 30 THR MG . . 3.270 2.335 2.231 2.404 . 0 0 "[ . 1 . 2]" 1
702 1 30 THR HA 1 31 VAL H . . 2.820 2.210 2.144 2.317 . 0 0 "[ . 1 . 2]" 1
703 1 30 THR HA 1 31 VAL HA . . 5.020 4.389 4.369 4.414 . 0 0 "[ . 1 . 2]" 1
704 1 30 THR HA 1 31 VAL MG1 . . 3.990 3.656 3.322 3.885 . 0 0 "[ . 1 . 2]" 1
705 1 30 THR HA 1 31 VAL MG2 . . 4.270 3.774 3.622 3.863 . 0 0 "[ . 1 . 2]" 1
706 1 30 THR HB 1 31 VAL H . . 4.460 4.020 3.588 4.377 . 0 0 "[ . 1 . 2]" 1
707 1 30 THR HB 1 47 TYR QE . . 3.880 3.285 2.697 3.574 . 0 0 "[ . 1 . 2]" 1
708 1 30 THR MG 1 31 VAL H . . 3.000 2.391 2.049 2.989 . 0 0 "[ . 1 . 2]" 1
709 1 30 THR MG 1 31 VAL HA . . 4.610 3.830 3.676 4.032 . 0 0 "[ . 1 . 2]" 1
710 1 30 THR MG 1 31 VAL MG2 . . 4.210 3.469 3.195 3.992 . 0 0 "[ . 1 . 2]" 1
711 1 30 THR MG 1 47 TYR QE . . 4.380 4.193 3.625 4.391 0.011 13 0 "[ . 1 . 2]" 1
712 1 31 VAL H 1 31 VAL HB . . 3.810 3.716 3.661 3.804 . 0 0 "[ . 1 . 2]" 1
713 1 31 VAL H 1 31 VAL MG1 . . 3.380 2.643 2.420 2.818 . 0 0 "[ . 1 . 2]" 1
714 1 31 VAL H 1 31 VAL MG2 . . 2.840 1.984 1.904 2.119 . 0 0 "[ . 1 . 2]" 1
715 1 31 VAL HA 1 31 VAL MG1 . . 3.310 2.315 2.173 2.436 . 0 0 "[ . 1 . 2]" 1
716 1 31 VAL HA 1 32 ALA H . . 2.860 2.217 2.195 2.383 . 0 0 "[ . 1 . 2]" 1
717 1 31 VAL HA 1 32 ALA HA . . 5.390 4.381 4.369 4.441 . 0 0 "[ . 1 . 2]" 1
718 1 31 VAL HA 1 32 ALA MB . . 4.050 3.857 3.796 3.878 . 0 0 "[ . 1 . 2]" 1
719 1 31 VAL HB 1 32 ALA H . . 3.160 2.933 2.446 3.009 . 0 0 "[ . 1 . 2]" 1
720 1 31 VAL MG1 1 32 ALA H . . 4.200 3.890 3.645 3.981 . 0 0 "[ . 1 . 2]" 1
721 1 31 VAL MG2 1 32 ALA HA . . 4.570 3.959 3.646 4.151 . 0 0 "[ . 1 . 2]" 1
722 1 32 ALA H 1 32 ALA MB . . 3.090 2.263 2.175 2.438 . 0 0 "[ . 1 . 2]" 1
723 1 32 ALA HA 1 33 ALA H . . 2.970 2.619 2.567 2.642 . 0 0 "[ . 1 . 2]" 1
724 1 32 ALA MB 1 33 ALA H . . 3.310 2.192 2.105 2.279 . 0 0 "[ . 1 . 2]" 1
725 1 32 ALA MB 1 34 ASP H . . 3.120 2.487 2.416 2.611 . 0 0 "[ . 1 . 2]" 1
726 1 32 ALA MB 1 36 GLU H . . 5.500 5.510 5.500 5.521 0.021 5 0 "[ . 1 . 2]" 1
727 1 32 ALA MB 1 37 ALA H . . 4.410 4.319 4.138 4.415 0.005 11 0 "[ . 1 . 2]" 1
728 1 32 ALA MB 1 38 GLY H . . 3.550 2.919 2.783 3.030 . 0 0 "[ . 1 . 2]" 1
729 1 32 ALA MB 1 38 GLY HA2 . . 3.310 2.501 2.275 2.726 . 0 0 "[ . 1 . 2]" 1
730 1 32 ALA MB 1 38 GLY HA3 . . 4.000 2.654 2.438 2.893 . 0 0 "[ . 1 . 2]" 1
731 1 32 ALA MB 1 39 PHE H . . 4.840 4.636 4.451 4.826 . 0 0 "[ . 1 . 2]" 1
732 1 33 ALA H 1 33 ALA MB . . 2.770 2.280 2.209 2.331 . 0 0 "[ . 1 . 2]" 1
733 1 33 ALA H 1 34 ASP H . . 2.860 2.317 2.207 2.532 . 0 0 "[ . 1 . 2]" 1
734 1 33 ALA H 1 37 ALA H . . 5.500 5.168 4.966 5.447 . 0 0 "[ . 1 . 2]" 1
735 1 33 ALA H 1 37 ALA MB . . 3.680 2.706 2.285 3.145 . 0 0 "[ . 1 . 2]" 1
736 1 33 ALA MB 1 34 ASP H . . 3.200 2.658 2.470 2.723 . 0 0 "[ . 1 . 2]" 1
737 1 34 ASP H 1 34 ASP HB2 . . 4.130 3.027 2.672 3.826 . 0 0 "[ . 1 . 2]" 1
738 1 34 ASP H 1 34 ASP QB . . 3.430 2.809 2.616 3.312 . 0 0 "[ . 1 . 2]" 1
739 1 34 ASP H 1 34 ASP HB3 . . 4.130 3.545 3.001 3.934 . 0 0 "[ . 1 . 2]" 1
740 1 34 ASP H 1 37 ALA H . . 3.970 3.513 3.266 3.764 . 0 0 "[ . 1 . 2]" 1
741 1 34 ASP H 1 37 ALA MB . . 3.070 2.336 1.884 2.577 . 0 0 "[ . 1 . 2]" 1
742 1 34 ASP H 1 38 GLY H . . 3.860 3.672 3.404 3.833 . 0 0 "[ . 1 . 2]" 1
743 1 34 ASP H 1 38 GLY HA2 . . 5.500 5.416 5.117 5.530 0.030 18 0 "[ . 1 . 2]" 1
744 1 34 ASP HA 1 35 GLY H . . 3.540 2.401 2.272 2.564 . 0 0 "[ . 1 . 2]" 1
745 1 34 ASP HA 1 36 GLU H . . 4.490 4.250 4.097 4.408 . 0 0 "[ . 1 . 2]" 1
746 1 34 ASP HA 1 38 GLY H . . 5.500 5.177 5.040 5.303 . 0 0 "[ . 1 . 2]" 1
747 1 34 ASP QB 1 35 GLY H . . 3.420 2.703 2.096 3.308 . 0 0 "[ . 1 . 2]" 1
748 1 34 ASP QB 1 36 GLU H . . 3.690 2.598 2.399 2.806 . 0 0 "[ . 1 . 2]" 1
749 1 34 ASP QB 1 37 ALA MB . . 3.700 2.916 2.624 3.674 . 0 0 "[ . 1 . 2]" 1
750 1 34 ASP QB 1 38 GLY H . . 5.230 4.437 4.284 5.006 . 0 0 "[ . 1 . 2]" 1
751 1 34 ASP HB2 1 35 GLY H . . 4.130 3.722 2.407 4.095 . 0 0 "[ . 1 . 2]" 1
752 1 34 ASP HB2 1 36 GLU H . . 4.520 3.660 2.540 4.374 . 0 0 "[ . 1 . 2]" 1
753 1 34 ASP HB2 1 37 ALA H . . 4.710 3.415 2.590 4.295 . 0 0 "[ . 1 . 2]" 1
754 1 34 ASP HB3 1 35 GLY H . . 4.130 2.892 2.111 3.584 . 0 0 "[ . 1 . 2]" 1
755 1 34 ASP HB3 1 36 GLU H . . 4.520 2.833 2.436 4.297 . 0 0 "[ . 1 . 2]" 1
756 1 34 ASP HB3 1 37 ALA H . . 4.710 3.307 2.443 4.508 . 0 0 "[ . 1 . 2]" 1
757 1 35 GLY H 1 38 GLY H . . 5.230 4.878 4.782 5.026 . 0 0 "[ . 1 . 2]" 1
758 1 35 GLY H 1 62 LEU QD . . 5.090 4.498 4.107 5.098 0.008 20 0 "[ . 1 . 2]" 1
759 1 35 GLY HA2 1 38 GLY H . . 4.280 3.623 3.420 3.780 . 0 0 "[ . 1 . 2]" 1
760 1 35 GLY HA3 1 38 GLY H . . 5.230 4.776 4.643 4.896 . 0 0 "[ . 1 . 2]" 1
761 1 35 GLY HA3 1 62 LEU QD . . 3.550 2.937 2.538 3.429 . 0 0 "[ . 1 . 2]" 1
762 1 35 GLY HA3 1 62 LEU HG . . 5.450 5.310 4.060 5.463 0.013 2 0 "[ . 1 . 2]" 1
763 1 36 GLU H 1 36 GLU HB3 . . 2.900 2.392 2.338 2.483 . 0 0 "[ . 1 . 2]" 1
764 1 36 GLU H 1 36 GLU QG . . 4.320 3.950 3.926 3.975 . 0 0 "[ . 1 . 2]" 1
765 1 36 GLU H 1 37 ALA H . . 2.970 2.612 2.445 2.681 . 0 0 "[ . 1 . 2]" 1
766 1 36 GLU H 1 37 ALA HA . . 5.270 5.226 5.080 5.275 0.005 2 0 "[ . 1 . 2]" 1
767 1 36 GLU H 1 37 ALA MB . . 4.200 4.185 4.097 4.221 0.021 20 0 "[ . 1 . 2]" 1
768 1 36 GLU H 1 38 GLY H . . 4.100 3.926 3.875 4.028 . 0 0 "[ . 1 . 2]" 1
769 1 36 GLU H 1 39 PHE H . . 5.020 4.732 4.610 4.852 . 0 0 "[ . 1 . 2]" 1
770 1 36 GLU HA 1 36 GLU QG . . 3.360 2.634 2.414 3.111 . 0 0 "[ . 1 . 2]" 1
771 1 36 GLU HA 1 39 PHE H . . 3.850 3.621 3.437 3.857 0.007 20 0 "[ . 1 . 2]" 1
772 1 36 GLU HA 1 39 PHE HB2 . . 4.280 3.031 2.733 3.792 . 0 0 "[ . 1 . 2]" 1
773 1 36 GLU HA 1 39 PHE HB3 . . 4.340 4.161 3.699 4.347 0.007 18 0 "[ . 1 . 2]" 1
774 1 36 GLU HB3 1 37 ALA H . . 3.140 2.508 2.369 2.764 . 0 0 "[ . 1 . 2]" 1
775 1 36 GLU HB3 1 38 GLY H . . 5.360 4.874 4.774 5.082 . 0 0 "[ . 1 . 2]" 1
776 1 36 GLU QG 1 37 ALA H . . 3.730 3.306 3.150 3.463 . 0 0 "[ . 1 . 2]" 1
777 1 36 GLU QG 1 37 ALA MB . . 4.220 4.024 3.893 4.154 . 0 0 "[ . 1 . 2]" 1
778 1 36 GLU QG 1 40 ASP H . . 4.570 4.055 3.773 4.528 . 0 0 "[ . 1 . 2]" 1
779 1 37 ALA H 1 37 ALA MB . . 2.900 2.054 2.024 2.182 . 0 0 "[ . 1 . 2]" 1
780 1 37 ALA H 1 38 GLY H . . 3.210 2.660 2.520 2.748 . 0 0 "[ . 1 . 2]" 1
781 1 37 ALA H 1 39 PHE H . . 4.680 4.406 4.305 4.530 . 0 0 "[ . 1 . 2]" 1
782 1 37 ALA MB 1 38 GLY H . . 3.160 2.783 2.679 2.819 . 0 0 "[ . 1 . 2]" 1
783 1 37 ALA MB 1 38 GLY HA2 . . 4.650 3.769 3.731 3.837 . 0 0 "[ . 1 . 2]" 1
784 1 37 ALA MB 1 38 GLY HA3 . . 4.680 4.224 4.149 4.288 . 0 0 "[ . 1 . 2]" 1
785 1 37 ALA MB 1 39 PHE H . . 4.880 4.791 4.726 4.882 0.002 2 0 "[ . 1 . 2]" 1
786 1 37 ALA MB 1 40 ASP H . . 5.120 4.964 4.761 5.049 . 0 0 "[ . 1 . 2]" 1
787 1 38 GLY H 1 39 PHE H . . 3.240 2.630 2.543 2.730 . 0 0 "[ . 1 . 2]" 1
788 1 38 GLY H 1 39 PHE HB2 . . 5.500 4.482 4.380 4.686 . 0 0 "[ . 1 . 2]" 1
789 1 38 GLY H 1 40 ASP H . . 4.310 4.073 3.908 4.185 . 0 0 "[ . 1 . 2]" 1
790 1 38 GLY HA2 1 41 LEU H . . 4.080 3.770 3.532 3.938 . 0 0 "[ . 1 . 2]" 1
791 1 38 GLY HA2 1 41 LEU MD2 . . 5.500 5.356 5.054 5.500 . 0 0 "[ . 1 . 2]" 1
792 1 38 GLY HA2 1 42 ALA H . . 4.760 4.213 4.059 4.529 . 0 0 "[ . 1 . 2]" 1
793 1 38 GLY HA3 1 40 ASP H . . 4.850 4.786 4.564 4.860 0.010 15 0 "[ . 1 . 2]" 1
794 1 39 PHE H 1 39 PHE HB2 . . 3.170 2.133 2.098 2.183 . 0 0 "[ . 1 . 2]" 1
795 1 39 PHE H 1 39 PHE HB3 . . 3.570 3.398 3.009 3.493 . 0 0 "[ . 1 . 2]" 1
796 1 39 PHE H 1 39 PHE QD . . 4.120 3.421 3.163 3.922 . 0 0 "[ . 1 . 2]" 1
797 1 39 PHE H 1 40 ASP H . . 3.190 2.676 2.544 2.721 . 0 0 "[ . 1 . 2]" 1
798 1 39 PHE HA 1 39 PHE QD . . 4.100 2.384 2.231 2.950 . 0 0 "[ . 1 . 2]" 1
799 1 39 PHE HA 1 42 ALA H . . 3.790 3.174 3.049 3.521 . 0 0 "[ . 1 . 2]" 1
800 1 39 PHE HA 1 42 ALA MB . . 3.370 2.137 1.981 2.750 . 0 0 "[ . 1 . 2]" 1
801 1 39 PHE HA 1 43 ALA H . . 4.860 4.493 4.254 4.777 . 0 0 "[ . 1 . 2]" 1
802 1 39 PHE HA 1 68 LEU MD1 . . 5.500 4.935 4.104 5.508 0.008 8 0 "[ . 1 . 2]" 1
803 1 39 PHE HA 1 68 LEU QD . . 4.370 4.271 3.999 4.423 0.053 18 0 "[ . 1 . 2]" 1
804 1 39 PHE HA 1 68 LEU MD2 . . 5.500 4.973 4.413 5.521 0.021 2 0 "[ . 1 . 2]" 1
805 1 39 PHE HB2 1 40 ASP H . . 3.600 2.893 2.711 3.371 . 0 0 "[ . 1 . 2]" 1
806 1 39 PHE HB2 1 62 LEU QD . . 3.810 3.722 3.510 3.811 0.001 10 0 "[ . 1 . 2]" 1
807 1 39 PHE HB2 1 68 LEU QD . . 5.440 5.307 4.846 5.449 0.009 12 0 "[ . 1 . 2]" 1
808 1 39 PHE HB3 1 40 ASP H . . 3.400 3.034 2.516 3.319 . 0 0 "[ . 1 . 2]" 1
809 1 39 PHE HB3 1 41 LEU H . . 5.450 5.148 4.837 5.435 . 0 0 "[ . 1 . 2]" 1
810 1 39 PHE HB3 1 42 ALA H . . 5.310 5.070 4.959 5.299 . 0 0 "[ . 1 . 2]" 1
811 1 39 PHE HB3 1 43 ALA H . . 5.500 5.479 5.231 5.532 0.032 18 0 "[ . 1 . 2]" 1
812 1 39 PHE HB3 1 62 LEU QD . . 4.460 4.475 4.461 4.495 0.035 2 0 "[ . 1 . 2]" 1
813 1 39 PHE HB3 1 68 LEU QD . . 4.800 4.144 3.523 4.817 0.017 13 0 "[ . 1 . 2]" 1
814 1 39 PHE QD 1 40 ASP H . . 4.790 4.514 4.115 4.662 . 0 0 "[ . 1 . 2]" 1
815 1 39 PHE QD 1 42 ALA H . . 5.330 4.860 4.616 5.137 . 0 0 "[ . 1 . 2]" 1
816 1 39 PHE QD 1 42 ALA MB . . 4.150 3.048 2.841 3.565 . 0 0 "[ . 1 . 2]" 1
817 1 39 PHE QD 1 43 ALA H . . 5.500 5.074 4.074 5.503 0.003 3 0 "[ . 1 . 2]" 1
818 1 39 PHE QD 1 62 LEU MD1 . . 4.880 2.981 1.966 4.928 0.048 13 0 "[ . 1 . 2]" 1
819 1 39 PHE QD 1 62 LEU QD . . 3.460 2.256 1.964 2.624 . 0 0 "[ . 1 . 2]" 1
820 1 39 PHE QD 1 62 LEU MD2 . . 4.880 3.265 2.060 4.752 . 0 0 "[ . 1 . 2]" 1
821 1 39 PHE QD 1 68 LEU MD1 . . 4.800 3.381 2.590 4.414 . 0 0 "[ . 1 . 2]" 1
822 1 39 PHE QD 1 68 LEU QD . . 3.410 2.861 2.571 3.203 . 0 0 "[ . 1 . 2]" 1
823 1 39 PHE QD 1 68 LEU MD2 . . 4.800 3.678 2.828 4.646 . 0 0 "[ . 1 . 2]" 1
824 1 39 PHE HZ 1 65 ILE MD . . 4.200 2.642 2.153 3.684 . 0 0 "[ . 1 . 2]" 1
825 1 39 PHE HZ 1 65 ILE QG . . 4.100 2.652 2.010 3.179 . 0 0 "[ . 1 . 2]" 1
826 1 40 ASP H 1 41 LEU HB2 . . 5.290 4.981 4.530 5.122 . 0 0 "[ . 1 . 2]" 1
827 1 40 ASP H 1 41 LEU HG . . 4.830 4.703 4.495 4.840 0.010 19 0 "[ . 1 . 2]" 1
828 1 40 ASP H 1 42 ALA MB . . 4.760 4.573 4.469 4.774 0.014 3 0 "[ . 1 . 2]" 1
829 1 41 LEU H 1 41 LEU HB2 . . 3.420 2.414 2.254 2.510 . 0 0 "[ . 1 . 2]" 1
830 1 41 LEU H 1 41 LEU MD2 . . 3.660 3.620 3.283 3.672 0.012 19 0 "[ . 1 . 2]" 1
831 1 41 LEU H 1 41 LEU HG . . 2.990 2.520 2.291 2.724 . 0 0 "[ . 1 . 2]" 1
832 1 41 LEU H 1 42 ALA H . . 2.980 2.389 2.291 2.658 . 0 0 "[ . 1 . 2]" 1
833 1 41 LEU HA 1 41 LEU MD2 . . 2.930 2.158 1.953 2.424 . 0 0 "[ . 1 . 2]" 1
834 1 41 LEU HA 1 43 ALA H . . 4.820 3.737 3.615 3.991 . 0 0 "[ . 1 . 2]" 1
835 1 41 LEU HA 1 44 THR H . . 3.710 3.101 2.988 3.673 . 0 0 "[ . 1 . 2]" 1
836 1 41 LEU HB2 1 42 ALA H . . 3.200 2.793 2.536 2.930 . 0 0 "[ . 1 . 2]" 1
837 1 41 LEU HB2 1 47 TYR QE . . 4.930 3.725 3.200 3.959 . 0 0 "[ . 1 . 2]" 1
838 1 41 LEU MD2 1 47 TYR QE . . 5.500 5.014 3.875 5.357 . 0 0 "[ . 1 . 2]" 1
839 1 42 ALA H 1 42 ALA MB . . 2.790 2.044 2.024 2.128 . 0 0 "[ . 1 . 2]" 1
840 1 42 ALA H 1 44 THR H . . 4.410 4.134 3.998 4.389 . 0 0 "[ . 1 . 2]" 1
841 1 42 ALA H 1 47 TYR QD . . 5.500 4.553 4.089 4.772 . 0 0 "[ . 1 . 2]" 1
842 1 42 ALA H 1 47 TYR QE . . 4.040 3.991 3.321 4.051 0.011 13 0 "[ . 1 . 2]" 1
843 1 42 ALA H 1 68 LEU QD . . 5.320 5.051 4.891 5.287 . 0 0 "[ . 1 . 2]" 1
844 1 42 ALA HA 1 44 THR H . . 4.430 4.186 3.727 4.391 . 0 0 "[ . 1 . 2]" 1
845 1 42 ALA HA 1 45 THR H . . 3.930 3.483 3.094 3.702 . 0 0 "[ . 1 . 2]" 1
846 1 42 ALA HA 1 46 ALA H . . 4.730 2.954 1.939 3.215 . 0 0 "[ . 1 . 2]" 1
847 1 42 ALA HA 1 47 TYR H . . 4.060 3.320 2.934 3.625 . 0 0 "[ . 1 . 2]" 1
848 1 42 ALA HA 1 47 TYR QE . . 3.440 2.467 2.205 2.953 . 0 0 "[ . 1 . 2]" 1
849 1 42 ALA HA 1 68 LEU QD . . 5.350 5.063 4.855 5.233 . 0 0 "[ . 1 . 2]" 1
850 1 42 ALA MB 1 43 ALA HA . . 4.100 3.835 3.805 3.877 . 0 0 "[ . 1 . 2]" 1
851 1 42 ALA MB 1 47 TYR QD . . 3.710 2.685 1.964 2.974 . 0 0 "[ . 1 . 2]" 1
852 1 42 ALA MB 1 47 TYR QE . . 3.860 3.723 3.196 3.873 0.013 3 0 "[ . 1 . 2]" 1
853 1 42 ALA MB 1 68 LEU QD . . 2.980 3.000 2.983 3.020 0.040 7 0 "[ . 1 . 2]" 1
854 1 42 ALA MB 1 74 TYR QE . . 4.280 4.133 3.418 4.290 0.010 6 0 "[ . 1 . 2]" 1
855 1 43 ALA H 1 43 ALA MB . . 2.660 2.180 2.097 2.284 . 0 0 "[ . 1 . 2]" 1
856 1 43 ALA H 1 44 THR H . . 3.030 2.350 2.260 2.637 . 0 0 "[ . 1 . 2]" 1
857 1 43 ALA H 1 45 THR H . . 3.880 3.790 3.727 3.864 . 0 0 "[ . 1 . 2]" 1
858 1 43 ALA H 1 47 TYR QD . . 5.500 5.348 5.230 5.519 0.019 3 0 "[ . 1 . 2]" 1
859 1 43 ALA H 1 68 LEU QD . . 4.270 3.824 3.525 4.253 . 0 0 "[ . 1 . 2]" 1
860 1 43 ALA HA 1 74 TYR QE . . 4.570 2.584 2.267 3.554 . 0 0 "[ . 1 . 2]" 1
861 1 43 ALA MB 1 44 THR H . . 3.330 2.876 2.758 3.102 . 0 0 "[ . 1 . 2]" 1
862 1 44 THR H 1 44 THR HB . . 3.450 2.377 2.319 2.743 . 0 0 "[ . 1 . 2]" 1
863 1 44 THR H 1 44 THR MG . . 3.430 2.678 2.406 3.036 . 0 0 "[ . 1 . 2]" 1
864 1 44 THR H 1 45 THR H . . 2.600 2.264 1.935 2.360 . 0 0 "[ . 1 . 2]" 1
865 1 44 THR H 1 45 THR HB . . 4.450 4.394 4.102 4.462 0.012 11 0 "[ . 1 . 2]" 1
866 1 44 THR H 1 45 THR MG . . 5.500 5.538 5.273 5.598 0.098 11 0 "[ . 1 . 2]" 1
867 1 44 THR H 1 46 ALA H . . 4.390 3.688 3.300 3.750 . 0 0 "[ . 1 . 2]" 1
868 1 44 THR H 1 47 TYR QE . . 5.460 5.281 5.121 5.381 . 0 0 "[ . 1 . 2]" 1
869 1 44 THR HA 1 44 THR MG . . 3.300 3.115 2.984 3.164 . 0 0 "[ . 1 . 2]" 1
870 1 44 THR HB 1 45 THR H . . 3.970 3.691 3.399 3.810 . 0 0 "[ . 1 . 2]" 1
871 1 44 THR HB 1 45 THR HB . . 5.500 5.611 5.594 5.685 0.185 19 0 "[ . 1 . 2]" 1
872 1 44 THR MG 1 46 ALA H . . 4.350 4.147 3.974 4.419 0.069 8 0 "[ . 1 . 2]" 1
873 1 45 THR H 1 45 THR HB . . 3.100 2.397 2.363 2.450 . 0 0 "[ . 1 . 2]" 1
874 1 45 THR H 1 45 THR MG . . 3.840 3.707 3.674 3.745 . 0 0 "[ . 1 . 2]" 1
875 1 45 THR H 1 46 ALA H . . 3.360 2.147 2.074 2.436 . 0 0 "[ . 1 . 2]" 1
876 1 45 THR H 1 46 ALA MB . . 4.430 4.209 4.073 4.430 . 0 0 "[ . 1 . 2]" 1
877 1 45 THR H 1 47 TYR H . . 5.440 5.068 4.755 5.444 0.004 19 0 "[ . 1 . 2]" 1
878 1 45 THR H 1 47 TYR QD . . 4.770 4.530 4.410 4.752 . 0 0 "[ . 1 . 2]" 1
879 1 45 THR H 1 47 TYR QE . . 4.040 3.935 3.714 4.068 0.028 19 0 "[ . 1 . 2]" 1
880 1 45 THR H 1 74 TYR QE . . 5.320 5.047 4.814 5.234 . 0 0 "[ . 1 . 2]" 1
881 1 45 THR HA 1 45 THR MG . . 3.120 2.506 2.458 2.552 . 0 0 "[ . 1 . 2]" 1
882 1 45 THR HA 1 46 ALA MB . . 4.270 4.021 4.001 4.044 . 0 0 "[ . 1 . 2]" 1
883 1 45 THR HA 1 47 TYR QE . . 5.190 5.048 4.911 5.209 0.019 3 0 "[ . 1 . 2]" 1
884 1 45 THR HB 1 46 ALA H . . 3.850 2.809 2.694 2.880 . 0 0 "[ . 1 . 2]" 1
885 1 45 THR HB 1 47 TYR QD . . 4.670 3.299 3.155 3.661 . 0 0 "[ . 1 . 2]" 1
886 1 45 THR HB 1 47 TYR QE . . 3.680 2.149 1.995 2.330 . 0 0 "[ . 1 . 2]" 1
887 1 45 THR MG 1 46 ALA H . . 3.390 3.246 3.046 3.341 . 0 0 "[ . 1 . 2]" 1
888 1 45 THR MG 1 46 ALA HA . . 4.700 4.246 4.063 4.323 . 0 0 "[ . 1 . 2]" 1
889 1 45 THR MG 1 46 ALA MB . . 3.870 3.794 3.747 3.896 0.026 8 0 "[ . 1 . 2]" 1
890 1 45 THR MG 1 47 TYR H . . 3.930 3.528 3.105 3.940 0.010 3 0 "[ . 1 . 2]" 1
891 1 45 THR MG 1 47 TYR HA . . 4.580 3.263 3.026 3.511 . 0 0 "[ . 1 . 2]" 1
892 1 45 THR MG 1 47 TYR QD . . 3.890 3.031 2.903 3.215 . 0 0 "[ . 1 . 2]" 1
893 1 45 THR MG 1 47 TYR QE . . 3.550 2.775 2.651 2.888 . 0 0 "[ . 1 . 2]" 1
894 1 46 ALA H 1 46 ALA MB . . 2.990 2.885 2.876 2.895 . 0 0 "[ . 1 . 2]" 1
895 1 46 ALA H 1 74 TYR QE . . 4.770 3.487 3.267 3.785 . 0 0 "[ . 1 . 2]" 1
896 1 46 ALA HA 1 47 TYR H . . 2.750 2.345 2.202 2.484 . 0 0 "[ . 1 . 2]" 1
897 1 46 ALA HA 1 47 TYR QD . . 4.310 3.805 3.439 4.038 . 0 0 "[ . 1 . 2]" 1
898 1 46 ALA HA 1 74 TYR QE . . 3.960 2.123 1.991 2.384 . 0 0 "[ . 1 . 2]" 1
899 1 46 ALA MB 1 47 TYR H . . 3.700 3.643 3.509 3.710 0.010 7 0 "[ . 1 . 2]" 1
900 1 46 ALA MB 1 47 TYR HA . . 4.580 4.347 4.288 4.408 . 0 0 "[ . 1 . 2]" 1
901 1 46 ALA MB 1 74 TYR QE . . 4.120 2.622 2.045 2.944 . 0 0 "[ . 1 . 2]" 1
902 1 47 TYR H 1 47 TYR HB2 . . 3.290 2.430 2.407 2.466 . 0 0 "[ . 1 . 2]" 1
903 1 47 TYR H 1 47 TYR HB3 . . 3.730 3.610 3.585 3.648 . 0 0 "[ . 1 . 2]" 1
904 1 47 TYR H 1 47 TYR QD . . 3.140 2.060 1.948 2.194 . 0 0 "[ . 1 . 2]" 1
905 1 47 TYR H 1 47 TYR QE . . 4.510 4.255 4.087 4.394 . 0 0 "[ . 1 . 2]" 1
906 1 47 TYR H 1 48 ASP H . . 4.850 4.560 4.457 4.627 . 0 0 "[ . 1 . 2]" 1
907 1 47 TYR H 1 49 LEU H . . 5.500 5.438 5.240 5.509 0.009 9 0 "[ . 1 . 2]" 1
908 1 47 TYR H 1 74 TYR QE . . 4.160 4.126 3.896 4.170 0.010 7 0 "[ . 1 . 2]" 1
909 1 47 TYR HA 1 47 TYR QD . . 3.960 3.111 3.041 3.164 . 0 0 "[ . 1 . 2]" 1
910 1 47 TYR HA 1 48 ASP H . . 2.850 2.495 2.344 2.651 . 0 0 "[ . 1 . 2]" 1
911 1 47 TYR HB2 1 48 ASP H . . 3.810 3.475 3.179 3.774 . 0 0 "[ . 1 . 2]" 1
912 1 47 TYR HB2 1 49 LEU H . . 3.710 3.551 3.356 3.664 . 0 0 "[ . 1 . 2]" 1
913 1 47 TYR HB2 1 50 VAL QG . . 3.750 2.460 2.142 2.838 . 0 0 "[ . 1 . 2]" 1
914 1 47 TYR HB3 1 48 ASP H . . 4.240 2.236 1.950 2.567 . 0 0 "[ . 1 . 2]" 1
915 1 47 TYR HB3 1 49 LEU H . . 3.270 2.709 2.674 2.753 . 0 0 "[ . 1 . 2]" 1
916 1 47 TYR HB3 1 50 VAL QG . . 4.470 3.568 3.199 3.941 . 0 0 "[ . 1 . 2]" 1
917 1 47 TYR QD 1 48 ASP H . . 3.870 3.681 3.575 3.876 0.006 3 0 "[ . 1 . 2]" 1
918 1 47 TYR QD 1 49 LEU H . . 4.540 4.481 4.411 4.548 0.008 16 0 "[ . 1 . 2]" 1
919 1 47 TYR QD 1 50 VAL QG . . 3.880 3.519 3.127 3.879 . 0 0 "[ . 1 . 2]" 1
920 1 48 ASP H 1 48 ASP HB2 . . 3.650 2.229 2.107 2.339 . 0 0 "[ . 1 . 2]" 1
921 1 48 ASP H 1 48 ASP QB . . 3.100 2.192 2.087 2.310 . 0 0 "[ . 1 . 2]" 1
922 1 48 ASP H 1 48 ASP HB3 . . 3.650 3.316 2.929 3.584 . 0 0 "[ . 1 . 2]" 1
923 1 48 ASP H 1 49 LEU H . . 3.020 2.341 2.131 2.532 . 0 0 "[ . 1 . 2]" 1
924 1 48 ASP H 1 49 LEU HB2 . . 5.060 4.799 4.660 4.913 . 0 0 "[ . 1 . 2]" 1
925 1 48 ASP HA 1 77 THR MG . . 3.920 2.900 2.640 3.194 . 0 0 "[ . 1 . 2]" 1
926 1 48 ASP QB 1 49 LEU H . . 3.510 2.792 2.732 2.864 . 0 0 "[ . 1 . 2]" 1
927 1 49 LEU H 1 49 LEU HB2 . . 3.320 2.853 2.678 2.953 . 0 0 "[ . 1 . 2]" 1
928 1 49 LEU H 1 49 LEU HB3 . . 3.450 3.145 3.062 3.289 . 0 0 "[ . 1 . 2]" 1
929 1 49 LEU H 1 49 LEU MD1 . . 4.710 4.633 4.470 4.683 . 0 0 "[ . 1 . 2]" 1
930 1 49 LEU H 1 49 LEU MD2 . . 5.460 4.315 4.242 4.448 . 0 0 "[ . 1 . 2]" 1
931 1 49 LEU H 1 50 VAL H . . 4.380 4.236 4.141 4.348 . 0 0 "[ . 1 . 2]" 1
932 1 49 LEU H 1 50 VAL HA . . 5.050 4.722 4.664 4.820 . 0 0 "[ . 1 . 2]" 1
933 1 49 LEU H 1 50 VAL QG . . 3.950 3.775 3.563 3.955 0.005 4 0 "[ . 1 . 2]" 1
934 1 49 LEU H 1 77 THR MG . . 4.210 4.026 3.852 4.211 0.001 19 0 "[ . 1 . 2]" 1
935 1 49 LEU HA 1 49 LEU MD2 . . 3.250 2.519 2.270 2.719 . 0 0 "[ . 1 . 2]" 1
936 1 49 LEU HA 1 50 VAL H . . 3.110 2.161 2.141 2.207 . 0 0 "[ . 1 . 2]" 1
937 1 49 LEU HA 1 50 VAL QG . . 3.830 3.533 3.350 3.653 . 0 0 "[ . 1 . 2]" 1
938 1 49 LEU HA 1 77 THR MG . . 3.250 2.900 2.582 3.258 0.008 1 0 "[ . 1 . 2]" 1
939 1 49 LEU HA 1 78 PRO HD2 . . 4.290 3.904 3.699 4.149 . 0 0 "[ . 1 . 2]" 1
940 1 49 LEU HA 1 78 PRO HG2 . . 4.010 3.166 2.841 3.516 . 0 0 "[ . 1 . 2]" 1
941 1 49 LEU HA 1 79 ILE MD . . 4.060 3.774 3.282 4.060 0.000 20 0 "[ . 1 . 2]" 1
942 1 49 LEU HB2 1 49 LEU MD2 . . 3.580 3.181 3.162 3.192 . 0 0 "[ . 1 . 2]" 1
943 1 49 LEU HB2 1 116 VAL HA . . 5.500 5.213 4.531 5.507 0.007 14 0 "[ . 1 . 2]" 1
944 1 49 LEU HB3 1 49 LEU MD2 . . 2.950 2.273 2.172 2.361 . 0 0 "[ . 1 . 2]" 1
945 1 49 LEU HB3 1 50 VAL H . . 3.900 3.793 3.491 3.917 0.017 5 0 "[ . 1 . 2]" 1
946 1 49 LEU HB3 1 78 PRO HG2 . . 5.180 4.979 4.717 5.182 0.002 19 0 "[ . 1 . 2]" 1
947 1 49 LEU HB3 1 116 VAL QG . . 4.180 3.716 3.326 4.195 0.015 7 0 "[ . 1 . 2]" 1
948 1 49 LEU MD1 1 116 VAL HA . . 4.550 2.572 2.303 3.036 . 0 0 "[ . 1 . 2]" 1
949 1 49 LEU MD1 1 116 VAL HB . . 3.970 3.005 2.008 3.949 . 0 0 "[ . 1 . 2]" 1
950 1 49 LEU MD2 1 50 VAL H . . 3.060 2.235 1.885 2.449 . 0 0 "[ . 1 . 2]" 1
951 1 49 LEU MD2 1 51 LEU H . . 4.790 4.301 4.040 4.538 . 0 0 "[ . 1 . 2]" 1
952 1 49 LEU MD2 1 78 PRO HG2 . . 3.460 3.439 3.251 3.473 0.013 18 0 "[ . 1 . 2]" 1
953 1 49 LEU MD2 1 79 ILE HA . . 3.790 3.163 2.640 3.587 . 0 0 "[ . 1 . 2]" 1
954 1 49 LEU MD2 1 116 VAL HA . . 5.500 4.928 4.467 5.499 . 0 0 "[ . 1 . 2]" 1
955 1 49 LEU HG 1 50 VAL H . . 3.900 3.787 3.520 3.913 0.013 18 0 "[ . 1 . 2]" 1
956 1 49 LEU HG 1 78 PRO HB2 . . 3.980 3.342 2.920 3.687 . 0 0 "[ . 1 . 2]" 1
957 1 49 LEU HG 1 78 PRO HB3 . . 4.960 4.711 4.324 4.966 0.006 9 0 "[ . 1 . 2]" 1
958 1 49 LEU HG 1 78 PRO HG2 . . 4.750 2.270 2.001 2.536 . 0 0 "[ . 1 . 2]" 1
959 1 50 VAL H 1 50 VAL HB . . 3.430 2.713 2.646 2.855 . 0 0 "[ . 1 . 2]" 1
960 1 50 VAL H 1 50 VAL MG1 . . 4.210 3.884 3.857 3.943 . 0 0 "[ . 1 . 2]" 1
961 1 50 VAL H 1 50 VAL QG . . 3.290 2.639 2.499 2.827 . 0 0 "[ . 1 . 2]" 1
962 1 50 VAL H 1 50 VAL MG2 . . 4.210 2.686 2.530 2.906 . 0 0 "[ . 1 . 2]" 1
963 1 50 VAL H 1 51 LEU H . . 4.540 4.462 4.354 4.512 . 0 0 "[ . 1 . 2]" 1
964 1 50 VAL H 1 77 THR MG . . 3.800 3.509 3.112 3.806 0.006 12 0 "[ . 1 . 2]" 1
965 1 50 VAL H 1 78 PRO HG2 . . 4.830 4.646 4.355 4.846 0.016 19 0 "[ . 1 . 2]" 1
966 1 50 VAL H 1 79 ILE HA . . 3.420 3.170 2.922 3.431 0.011 20 0 "[ . 1 . 2]" 1
967 1 50 VAL H 1 79 ILE MG . . 4.500 4.224 3.895 4.506 0.006 20 0 "[ . 1 . 2]" 1
968 1 50 VAL H 1 80 LEU H . . 4.160 3.968 3.620 4.168 0.008 13 0 "[ . 1 . 2]" 1
969 1 50 VAL H 1 80 LEU QD . . 4.680 4.187 3.657 4.695 0.015 15 0 "[ . 1 . 2]" 1
970 1 50 VAL HA 1 50 VAL MG1 . . 3.300 2.246 2.208 2.353 . 0 0 "[ . 1 . 2]" 1
971 1 50 VAL HA 1 50 VAL MG2 . . 3.300 2.381 2.315 2.449 . 0 0 "[ . 1 . 2]" 1
972 1 50 VAL HA 1 51 LEU H . . 2.850 2.236 2.180 2.277 . 0 0 "[ . 1 . 2]" 1
973 1 50 VAL HB 1 51 LEU H . . 4.180 3.849 3.726 4.009 . 0 0 "[ . 1 . 2]" 1
974 1 50 VAL HB 1 77 THR MG . . 4.690 4.351 3.946 4.697 0.007 17 0 "[ . 1 . 2]" 1
975 1 50 VAL HB 1 79 ILE HA . . 4.160 3.593 3.140 4.005 . 0 0 "[ . 1 . 2]" 1
976 1 50 VAL HB 1 79 ILE MG . . 3.620 2.979 2.498 3.281 . 0 0 "[ . 1 . 2]" 1
977 1 50 VAL QG 1 51 LEU H . . 2.890 2.155 1.979 2.421 . 0 0 "[ . 1 . 2]" 1
978 1 50 VAL QG 1 52 THR H . . 4.430 3.920 3.558 4.419 . 0 0 "[ . 1 . 2]" 1
979 1 50 VAL QG 1 52 THR HB . . 3.940 3.429 3.123 3.865 . 0 0 "[ . 1 . 2]" 1
980 1 50 VAL QG 1 80 LEU H . . 5.440 4.459 4.021 4.777 . 0 0 "[ . 1 . 2]" 1
981 1 50 VAL MG1 1 51 LEU H . . 4.200 2.165 1.984 2.439 . 0 0 "[ . 1 . 2]" 1
982 1 50 VAL MG2 1 51 LEU H . . 4.200 3.980 3.930 4.060 . 0 0 "[ . 1 . 2]" 1
983 1 51 LEU H 1 51 LEU QB . . 3.200 2.623 2.400 2.828 . 0 0 "[ . 1 . 2]" 1
984 1 51 LEU H 1 51 LEU QD . . 4.450 3.221 2.381 3.914 . 0 0 "[ . 1 . 2]" 1
985 1 51 LEU H 1 52 THR H . . 4.550 4.165 4.018 4.407 . 0 0 "[ . 1 . 2]" 1
986 1 51 LEU HA 1 51 LEU QD . . 3.380 2.163 1.901 2.505 . 0 0 "[ . 1 . 2]" 1
987 1 51 LEU HA 1 52 THR H . . 2.800 2.151 2.138 2.236 . 0 0 "[ . 1 . 2]" 1
988 1 51 LEU HA 1 52 THR MG . . 4.210 3.738 3.503 3.914 . 0 0 "[ . 1 . 2]" 1
989 1 51 LEU HA 1 79 ILE MG . . 4.730 4.192 3.721 4.624 . 0 0 "[ . 1 . 2]" 1
990 1 51 LEU HA 1 80 LEU H . . 3.920 3.477 3.021 3.755 . 0 0 "[ . 1 . 2]" 1
991 1 51 LEU QB 1 52 THR H . . 3.700 3.469 3.096 3.720 0.020 19 0 "[ . 1 . 2]" 1
992 1 51 LEU QD 1 52 THR H . . 4.050 3.433 2.537 4.025 . 0 0 "[ . 1 . 2]" 1
993 1 51 LEU QD 1 80 LEU H . . 3.340 3.008 2.696 3.351 0.011 8 0 "[ . 1 . 2]" 1
994 1 51 LEU QD 1 80 LEU HA . . 4.300 4.130 3.800 4.332 0.032 7 0 "[ . 1 . 2]" 1
995 1 52 THR H 1 52 THR HB . . 3.860 3.179 2.911 3.490 . 0 0 "[ . 1 . 2]" 1
996 1 52 THR H 1 52 THR MG . . 3.050 2.127 1.929 2.373 . 0 0 "[ . 1 . 2]" 1
997 1 52 THR H 1 53 ASP H . . 4.550 4.467 4.286 4.541 . 0 0 "[ . 1 . 2]" 1
998 1 52 THR H 1 53 ASP HA . . 5.240 4.933 4.672 5.132 . 0 0 "[ . 1 . 2]" 1
999 1 52 THR H 1 80 LEU H . . 5.040 4.533 4.141 4.985 . 0 0 "[ . 1 . 2]" 1
1000 1 52 THR H 1 81 VAL H . . 5.240 5.083 4.887 5.246 0.006 13 0 "[ . 1 . 2]" 1
1001 1 52 THR H 1 81 VAL HB . . 4.600 4.456 4.165 4.612 0.012 3 0 "[ . 1 . 2]" 1
1002 1 52 THR H 1 81 VAL MG1 . . 5.500 5.345 5.175 5.487 . 0 0 "[ . 1 . 2]" 1
1003 1 52 THR H 1 81 VAL MG2 . . 4.380 3.898 3.538 4.160 . 0 0 "[ . 1 . 2]" 1
1004 1 52 THR H 1 82 LEU H . . 3.930 3.800 3.208 3.952 0.022 15 0 "[ . 1 . 2]" 1
1005 1 52 THR MG 1 53 ASP HA . . 4.320 4.055 3.703 4.311 . 0 0 "[ . 1 . 2]" 1
1006 1 52 THR MG 1 79 ILE MG . . 3.440 3.144 2.646 3.445 0.005 2 0 "[ . 1 . 2]" 1
1007 1 52 THR MG 1 81 VAL HB . . 3.420 2.689 2.321 3.139 . 0 0 "[ . 1 . 2]" 1
1008 1 52 THR MG 1 82 LEU H . . 3.950 3.280 2.613 3.960 0.010 13 0 "[ . 1 . 2]" 1
1009 1 53 ASP H 1 53 ASP QB . . 3.700 2.743 2.262 3.221 . 0 0 "[ . 1 . 2]" 1
1010 1 53 ASP HA 1 81 VAL MG2 . . 4.060 3.320 2.790 4.047 . 0 0 "[ . 1 . 2]" 1
1011 1 53 ASP HA 1 82 LEU H . . 3.580 2.715 2.413 3.224 . 0 0 "[ . 1 . 2]" 1
1012 1 53 ASP HA 1 82 LEU HA . . 5.160 4.639 4.486 5.124 . 0 0 "[ . 1 . 2]" 1
1013 1 53 ASP HA 1 82 LEU HB2 . . 4.160 2.236 1.991 4.222 0.062 15 0 "[ . 1 . 2]" 1
1014 1 53 ASP HA 1 82 LEU QB . . 3.480 2.161 1.984 2.942 . 0 0 "[ . 1 . 2]" 1
1015 1 53 ASP HA 1 82 LEU HB3 . . 4.160 3.775 3.002 4.168 0.008 18 0 "[ . 1 . 2]" 1
1016 1 53 ASP HA 1 82 LEU QD . . 4.480 2.597 1.929 3.698 . 0 0 "[ . 1 . 2]" 1
1017 1 59 LYS HA 1 59 LYS HD2 . . 4.810 4.156 2.008 4.809 . 0 0 "[ . 1 . 2]" 1
1018 1 59 LYS HA 1 59 LYS HD3 . . 4.810 3.962 2.021 4.811 0.001 14 0 "[ . 1 . 2]" 1
1019 1 59 LYS HA 1 59 LYS QG . . 3.410 2.544 2.101 3.418 0.008 14 0 "[ . 1 . 2]" 1
1020 1 65 ILE HA 1 65 ILE MD . . 4.040 3.875 3.858 3.886 . 0 0 "[ . 1 . 2]" 1
1021 1 65 ILE HA 1 65 ILE MG . . 3.260 2.365 2.315 2.399 . 0 0 "[ . 1 . 2]" 1
1022 1 65 ILE HA 1 68 LEU H . . 3.860 3.372 3.131 3.615 . 0 0 "[ . 1 . 2]" 1
1023 1 65 ILE HA 1 68 LEU HB2 . . 4.770 2.636 2.145 3.279 . 0 0 "[ . 1 . 2]" 1
1024 1 65 ILE HA 1 68 LEU QB . . 4.030 2.608 2.132 3.219 . 0 0 "[ . 1 . 2]" 1
1025 1 65 ILE HA 1 68 LEU HB3 . . 4.770 4.176 3.699 4.687 . 0 0 "[ . 1 . 2]" 1
1026 1 65 ILE HA 1 68 LEU MD1 . . 4.590 2.726 1.951 4.356 . 0 0 "[ . 1 . 2]" 1
1027 1 65 ILE HA 1 68 LEU QD . . 3.840 2.487 1.949 3.174 . 0 0 "[ . 1 . 2]" 1
1028 1 65 ILE HA 1 68 LEU MD2 . . 4.590 3.692 2.768 4.601 0.011 7 0 "[ . 1 . 2]" 1
1029 1 65 ILE HA 1 69 ARG H . . 4.460 4.090 3.743 4.454 . 0 0 "[ . 1 . 2]" 1
1030 1 65 ILE HA 1 97 ALA MB . . 5.500 4.884 4.377 5.170 . 0 0 "[ . 1 . 2]" 1
1031 1 65 ILE HB 1 65 ILE MD . . 3.340 2.277 2.155 2.363 . 0 0 "[ . 1 . 2]" 1
1032 1 65 ILE HB 1 66 ALA H . . 4.120 2.688 2.558 2.773 . 0 0 "[ . 1 . 2]" 1
1033 1 65 ILE MD 1 66 ALA H . . 4.440 4.451 4.410 4.499 0.059 18 0 "[ . 1 . 2]" 1
1034 1 65 ILE MD 1 94 ALA HA . . 4.560 4.530 4.245 4.576 0.016 15 0 "[ . 1 . 2]" 1
1035 1 65 ILE MD 1 97 ALA HA . . 5.090 4.716 4.179 5.108 0.018 5 0 "[ . 1 . 2]" 1
1036 1 65 ILE MD 1 97 ALA MB . . 3.390 2.431 1.922 2.702 . 0 0 "[ . 1 . 2]" 1
1037 1 65 ILE MD 1 99 ALA MB . . 3.260 3.241 3.005 3.285 0.025 20 0 "[ . 1 . 2]" 1
1038 1 65 ILE MG 1 66 ALA H . . 3.640 3.520 3.451 3.613 . 0 0 "[ . 1 . 2]" 1
1039 1 65 ILE MG 1 97 ALA HA . . 4.560 3.828 3.437 4.111 . 0 0 "[ . 1 . 2]" 1
1040 1 65 ILE MG 1 97 ALA MB . . 3.270 2.380 1.841 2.786 . 0 0 "[ . 1 . 2]" 1
1041 1 65 ILE MG 1 98 GLY H . . 3.900 3.285 2.937 3.545 . 0 0 "[ . 1 . 2]" 1
1042 1 65 ILE MG 1 98 GLY HA2 . . 4.430 3.718 3.323 4.125 . 0 0 "[ . 1 . 2]" 1
1043 1 65 ILE MG 1 98 GLY QA . . 3.660 2.442 1.937 3.014 . 0 0 "[ . 1 . 2]" 1
1044 1 65 ILE MG 1 98 GLY HA3 . . 4.430 2.481 1.950 3.097 . 0 0 "[ . 1 . 2]" 1
1045 1 65 ILE MG 1 99 ALA H . . 3.530 3.488 3.270 3.540 0.010 2 0 "[ . 1 . 2]" 1
1046 1 65 ILE MG 1 99 ALA HA . . 3.460 3.413 3.242 3.479 0.019 17 0 "[ . 1 . 2]" 1
1047 1 65 ILE MG 1 100 THR H . . 5.240 5.229 5.111 5.263 0.023 18 0 "[ . 1 . 2]" 1
1048 1 66 ALA H 1 66 ALA MB . . 2.960 2.112 2.028 2.228 . 0 0 "[ . 1 . 2]" 1
1049 1 66 ALA H 1 67 ALA MB . . 4.510 4.339 4.198 4.491 . 0 0 "[ . 1 . 2]" 1
1050 1 66 ALA H 1 68 LEU H . . 4.220 4.063 3.940 4.220 0.000 6 0 "[ . 1 . 2]" 1
1051 1 66 ALA H 1 69 ARG H . . 4.970 4.692 4.593 5.000 0.030 18 0 "[ . 1 . 2]" 1
1052 1 66 ALA H 1 97 ALA MB . . 4.010 3.932 3.580 4.016 0.006 8 0 "[ . 1 . 2]" 1
1053 1 66 ALA HA 1 69 ARG H . . 3.880 3.500 3.283 3.786 . 0 0 "[ . 1 . 2]" 1
1054 1 66 ALA MB 1 70 GLN H . . 5.030 4.818 4.565 5.050 0.020 6 0 "[ . 1 . 2]" 1
1055 1 66 ALA MB 1 70 GLN HE22 . . 5.380 4.549 2.887 5.349 . 0 0 "[ . 1 . 2]" 1
1056 1 67 ALA H 1 67 ALA MB . . 2.970 2.084 2.028 2.250 . 0 0 "[ . 1 . 2]" 1
1057 1 67 ALA H 1 68 LEU H . . 3.300 2.582 2.410 2.827 . 0 0 "[ . 1 . 2]" 1
1058 1 67 ALA H 1 69 ARG H . . 4.200 4.033 3.906 4.177 . 0 0 "[ . 1 . 2]" 1
1059 1 67 ALA HA 1 70 GLN H . . 4.140 3.742 3.141 4.042 . 0 0 "[ . 1 . 2]" 1
1060 1 67 ALA HA 1 70 GLN HE22 . . 4.220 3.186 2.672 3.506 . 0 0 "[ . 1 . 2]" 1
1061 1 67 ALA HA 1 70 GLN QG . . 3.970 2.272 1.966 3.241 . 0 0 "[ . 1 . 2]" 1
1062 1 67 ALA MB 1 68 LEU HA . . 3.920 3.779 3.660 3.857 . 0 0 "[ . 1 . 2]" 1
1063 1 67 ALA MB 1 68 LEU QD . . 4.920 2.930 2.431 3.542 . 0 0 "[ . 1 . 2]" 1
1064 1 67 ALA MB 1 69 ARG H . . 4.790 4.511 4.381 4.568 . 0 0 "[ . 1 . 2]" 1
1065 1 67 ALA MB 1 70 GLN H . . 5.070 4.871 4.370 5.074 0.004 2 0 "[ . 1 . 2]" 1
1066 1 67 ALA MB 1 70 GLN HG2 . . 5.500 3.861 3.301 5.385 . 0 0 "[ . 1 . 2]" 1
1067 1 67 ALA MB 1 70 GLN HG3 . . 5.500 4.387 3.994 5.397 . 0 0 "[ . 1 . 2]" 1
1068 1 68 LEU H 1 68 LEU HB2 . . 3.980 2.362 2.143 2.741 . 0 0 "[ . 1 . 2]" 1
1069 1 68 LEU H 1 68 LEU QB . . 3.350 2.327 2.124 2.663 . 0 0 "[ . 1 . 2]" 1
1070 1 68 LEU H 1 68 LEU HB3 . . 3.980 3.545 3.458 3.616 . 0 0 "[ . 1 . 2]" 1
1071 1 68 LEU H 1 68 LEU MD1 . . 3.990 2.673 2.022 4.004 0.014 18 0 "[ . 1 . 2]" 1
1072 1 68 LEU H 1 68 LEU QD . . 3.430 2.468 1.950 3.028 . 0 0 "[ . 1 . 2]" 1
1073 1 68 LEU H 1 68 LEU MD2 . . 3.990 3.728 1.954 4.030 0.040 13 0 "[ . 1 . 2]" 1
1074 1 68 LEU H 1 69 ARG H . . 3.410 2.491 2.371 2.720 . 0 0 "[ . 1 . 2]" 1
1075 1 68 LEU H 1 70 GLN H . . 4.340 4.294 4.127 4.344 0.004 3 0 "[ . 1 . 2]" 1
1076 1 68 LEU HA 1 68 LEU MD1 . . 4.160 3.192 2.307 3.984 . 0 0 "[ . 1 . 2]" 1
1077 1 68 LEU HA 1 68 LEU QD . . 3.610 2.574 2.047 2.749 . 0 0 "[ . 1 . 2]" 1
1078 1 68 LEU HA 1 68 LEU MD2 . . 4.160 3.201 2.288 3.775 . 0 0 "[ . 1 . 2]" 1
1079 1 68 LEU HA 1 71 LEU H . . 4.680 3.522 3.255 4.045 . 0 0 "[ . 1 . 2]" 1
1080 1 68 LEU HA 1 71 LEU HB2 . . 3.660 2.544 1.987 2.774 . 0 0 "[ . 1 . 2]" 1
1081 1 68 LEU HA 1 71 LEU HB3 . . 4.700 3.965 3.381 4.271 . 0 0 "[ . 1 . 2]" 1
1082 1 68 LEU HA 1 71 LEU QD . . 3.820 2.966 2.071 3.731 . 0 0 "[ . 1 . 2]" 1
1083 1 68 LEU QB 1 69 ARG H . . 3.050 2.751 2.673 2.857 . 0 0 "[ . 1 . 2]" 1
1084 1 68 LEU QB 1 74 TYR HB2 . . 4.460 2.052 1.954 2.518 . 0 0 "[ . 1 . 2]" 1
1085 1 68 LEU QD 1 74 TYR HB2 . . 4.960 3.044 2.264 3.376 . 0 0 "[ . 1 . 2]" 1
1086 1 68 LEU QD 1 74 TYR QE . . 3.910 3.013 2.599 3.710 . 0 0 "[ . 1 . 2]" 1
1087 1 68 LEU MD1 1 74 TYR QE . . 4.920 4.122 3.108 4.556 . 0 0 "[ . 1 . 2]" 1
1088 1 68 LEU MD2 1 74 TYR QE . . 4.920 3.193 2.615 4.316 . 0 0 "[ . 1 . 2]" 1
1089 1 69 ARG H 1 69 ARG QB . . 3.230 2.209 2.039 2.254 . 0 0 "[ . 1 . 2]" 1
1090 1 69 ARG H 1 70 GLN H . . 2.950 2.711 2.411 2.856 . 0 0 "[ . 1 . 2]" 1
1091 1 69 ARG H 1 70 GLN HE21 . . 5.500 5.302 4.229 5.514 0.014 6 0 "[ . 1 . 2]" 1
1092 1 69 ARG H 1 70 GLN QG . . 4.560 3.827 3.662 4.528 . 0 0 "[ . 1 . 2]" 1
1093 1 69 ARG HA 1 69 ARG QG . . 3.480 2.488 2.178 3.094 . 0 0 "[ . 1 . 2]" 1
1094 1 69 ARG QB 1 70 GLN H . . 3.020 2.444 2.300 2.717 . 0 0 "[ . 1 . 2]" 1
1095 1 69 ARG QG 1 98 GLY QA . . 3.690 2.108 1.831 2.659 . 0 0 "[ . 1 . 2]" 1
1096 1 70 GLN H 1 70 GLN HB2 . . 4.040 3.555 2.725 3.671 . 0 0 "[ . 1 . 2]" 1
1097 1 70 GLN H 1 70 GLN QB . . 3.230 2.540 2.490 2.646 . 0 0 "[ . 1 . 2]" 1
1098 1 70 GLN H 1 70 GLN HB3 . . 4.040 2.641 2.539 3.586 . 0 0 "[ . 1 . 2]" 1
1099 1 70 GLN H 1 70 GLN HE22 . . 5.320 5.172 4.500 5.302 . 0 0 "[ . 1 . 2]" 1
1100 1 70 GLN H 1 70 GLN HG2 . . 3.850 2.135 1.961 2.889 . 0 0 "[ . 1 . 2]" 1
1101 1 70 GLN H 1 70 GLN HG3 . . 3.850 3.167 1.945 3.860 0.010 19 0 "[ . 1 . 2]" 1
1102 1 70 GLN H 1 71 LEU H . . 2.960 2.683 2.494 2.779 . 0 0 "[ . 1 . 2]" 1
1103 1 70 GLN H 1 71 LEU HB2 . . 4.820 4.504 4.016 4.606 . 0 0 "[ . 1 . 2]" 1
1104 1 70 GLN H 1 71 LEU QD . . 4.530 4.257 3.632 4.557 0.027 20 0 "[ . 1 . 2]" 1
1105 1 70 GLN HA 1 70 GLN HG2 . . 3.920 3.683 2.685 3.766 . 0 0 "[ . 1 . 2]" 1
1106 1 70 GLN HA 1 70 GLN QG . . 3.380 3.297 2.588 3.339 . 0 0 "[ . 1 . 2]" 1
1107 1 70 GLN HA 1 70 GLN HG3 . . 3.920 3.735 3.390 3.863 . 0 0 "[ . 1 . 2]" 1
1108 1 70 GLN QB 1 70 GLN HE22 . . 4.340 3.547 3.202 4.043 . 0 0 "[ . 1 . 2]" 1
1109 1 70 GLN HE21 1 71 LEU H . . 5.500 5.069 4.477 5.547 0.047 19 0 "[ . 1 . 2]" 1
1110 1 70 GLN QG 1 71 LEU H . . 3.660 2.372 2.116 3.665 0.005 6 0 "[ . 1 . 2]" 1
1111 1 70 GLN QG 1 71 LEU QD . . 3.790 2.408 1.885 3.808 0.018 6 0 "[ . 1 . 2]" 1
1112 1 71 LEU H 1 71 LEU HB2 . . 3.320 2.151 2.078 2.282 . 0 0 "[ . 1 . 2]" 1
1113 1 71 LEU H 1 71 LEU HB3 . . 4.020 3.410 3.156 3.546 . 0 0 "[ . 1 . 2]" 1
1114 1 71 LEU H 1 71 LEU QD . . 3.520 2.729 1.948 3.365 . 0 0 "[ . 1 . 2]" 1
1115 1 71 LEU H 1 72 SER H . . 4.710 4.373 2.104 4.634 . 0 0 "[ . 1 . 2]" 1
1116 1 71 LEU H 1 74 TYR H . . 5.120 4.955 4.266 5.126 0.006 16 0 "[ . 1 . 2]" 1
1117 1 71 LEU H 1 75 ALA H . . 5.020 4.822 4.018 4.973 . 0 0 "[ . 1 . 2]" 1
1118 1 71 LEU HA 1 71 LEU QD . . 3.080 2.193 1.858 2.756 . 0 0 "[ . 1 . 2]" 1
1119 1 71 LEU HA 1 72 SER H . . 3.240 2.400 2.245 3.437 0.197 19 0 "[ . 1 . 2]" 1
1120 1 71 LEU HB2 1 71 LEU QD . . 3.130 2.138 1.933 2.346 . 0 0 "[ . 1 . 2]" 1
1121 1 71 LEU HB2 1 72 SER H . . 4.150 4.052 3.522 4.146 . 0 0 "[ . 1 . 2]" 1
1122 1 71 LEU HB2 1 73 ALA H . . 3.800 3.665 3.425 3.822 0.022 18 0 "[ . 1 . 2]" 1
1123 1 71 LEU HB2 1 74 TYR H . . 3.940 3.831 3.440 3.970 0.030 19 0 "[ . 1 . 2]" 1
1124 1 71 LEU HB2 1 74 TYR HB2 . . 4.700 4.345 3.970 4.666 . 0 0 "[ . 1 . 2]" 1
1125 1 71 LEU HB2 1 74 TYR QE . . 4.230 3.779 3.509 3.904 . 0 0 "[ . 1 . 2]" 1
1126 1 71 LEU HB3 1 72 SER H . . 4.630 2.902 2.766 3.378 . 0 0 "[ . 1 . 2]" 1
1127 1 71 LEU HB3 1 73 ALA H . . 3.910 2.459 2.347 2.696 . 0 0 "[ . 1 . 2]" 1
1128 1 71 LEU HB3 1 73 ALA MB . . 4.150 2.814 2.686 3.009 . 0 0 "[ . 1 . 2]" 1
1129 1 71 LEU HB3 1 74 TYR H . . 3.790 3.273 3.006 3.354 . 0 0 "[ . 1 . 2]" 1
1130 1 71 LEU HB3 1 74 TYR HB2 . . 4.880 4.810 4.515 4.895 0.015 6 0 "[ . 1 . 2]" 1
1131 1 71 LEU HB3 1 74 TYR QE . . 4.060 3.443 2.735 3.587 . 0 0 "[ . 1 . 2]" 1
1132 1 71 LEU HB3 1 75 ALA H . . 4.480 4.406 4.263 4.482 0.002 20 0 "[ . 1 . 2]" 1
1133 1 71 LEU QD 1 72 SER H . . 4.290 3.190 2.383 4.058 . 0 0 "[ . 1 . 2]" 1
1134 1 71 LEU QD 1 73 ALA H . . 5.100 3.808 3.534 4.041 . 0 0 "[ . 1 . 2]" 1
1135 1 71 LEU QD 1 74 TYR H . . 5.440 4.379 4.030 4.658 . 0 0 "[ . 1 . 2]" 1
1136 1 71 LEU QD 1 74 TYR QE . . 4.240 2.777 2.017 3.840 . 0 0 "[ . 1 . 2]" 1
1137 1 72 SER H 1 73 ALA H . . 3.650 2.920 2.598 2.976 . 0 0 "[ . 1 . 2]" 1
1138 1 72 SER HA 1 73 ALA H . . 3.280 2.870 2.853 2.930 . 0 0 "[ . 1 . 2]" 1
1139 1 72 SER HA 1 74 TYR H . . 4.420 4.165 4.091 4.482 0.062 18 0 "[ . 1 . 2]" 1
1140 1 73 ALA H 1 73 ALA MB . . 2.680 2.455 2.376 2.618 . 0 0 "[ . 1 . 2]" 1
1141 1 73 ALA H 1 74 TYR H . . 3.190 1.873 1.788 1.893 . 0 0 "[ . 1 . 2]" 1
1142 1 73 ALA H 1 74 TYR HA . . 4.660 4.612 4.473 4.640 . 0 0 "[ . 1 . 2]" 1
1143 1 73 ALA H 1 74 TYR HB2 . . 4.560 4.461 4.418 4.510 . 0 0 "[ . 1 . 2]" 1
1144 1 73 ALA H 1 74 TYR QE . . 4.600 4.617 4.601 4.653 0.053 19 0 "[ . 1 . 2]" 1
1145 1 73 ALA H 1 75 ALA H . . 4.070 2.891 2.629 2.963 . 0 0 "[ . 1 . 2]" 1
1146 1 73 ALA H 1 75 ALA MB . . 4.210 3.634 3.337 3.778 . 0 0 "[ . 1 . 2]" 1
1147 1 73 ALA HA 1 74 TYR QE . . 5.500 5.559 5.538 5.576 0.076 20 0 "[ . 1 . 2]" 1
1148 1 73 ALA MB 1 74 TYR H . . 3.490 2.761 2.685 2.857 . 0 0 "[ . 1 . 2]" 1
1149 1 73 ALA MB 1 74 TYR HA . . 4.430 4.018 3.954 4.058 . 0 0 "[ . 1 . 2]" 1
1150 1 73 ALA MB 1 74 TYR HB2 . . 4.630 4.479 4.428 4.528 . 0 0 "[ . 1 . 2]" 1
1151 1 73 ALA MB 1 74 TYR QE . . 3.260 2.749 2.661 2.866 . 0 0 "[ . 1 . 2]" 1
1152 1 73 ALA MB 1 75 ALA H . . 4.440 4.358 4.319 4.395 . 0 0 "[ . 1 . 2]" 1
1153 1 74 TYR H 1 74 TYR HB2 . . 3.060 2.735 2.700 2.803 . 0 0 "[ . 1 . 2]" 1
1154 1 74 TYR H 1 75 ALA H . . 2.790 1.949 1.921 1.977 . 0 0 "[ . 1 . 2]" 1
1155 1 74 TYR H 1 75 ALA MB . . 3.760 3.613 3.548 3.711 . 0 0 "[ . 1 . 2]" 1
1156 1 74 TYR H 1 76 ASP H . . 4.290 3.995 3.909 4.104 . 0 0 "[ . 1 . 2]" 1
1157 1 74 TYR H 1 77 THR HB . . 5.500 5.385 5.296 5.521 0.021 18 0 "[ . 1 . 2]" 1
1158 1 74 TYR HA 1 76 ASP H . . 3.880 3.835 3.756 3.894 0.014 18 0 "[ . 1 . 2]" 1
1159 1 74 TYR HA 1 76 ASP QB . . 5.210 4.704 4.608 4.876 . 0 0 "[ . 1 . 2]" 1
1160 1 74 TYR HA 1 77 THR H . . 3.390 2.896 2.836 2.952 . 0 0 "[ . 1 . 2]" 1
1161 1 74 TYR HA 1 77 THR HB . . 3.990 2.666 2.524 2.893 . 0 0 "[ . 1 . 2]" 1
1162 1 74 TYR HA 1 77 THR MG . . 3.960 3.880 3.741 3.982 0.022 16 0 "[ . 1 . 2]" 1
1163 1 74 TYR HB2 1 75 ALA H . . 3.730 2.997 2.907 3.089 . 0 0 "[ . 1 . 2]" 1
1164 1 74 TYR HB2 1 77 THR HB . . 4.480 4.493 4.384 4.526 0.046 6 0 "[ . 1 . 2]" 1
1165 1 75 ALA H 1 75 ALA HA . . 2.910 2.739 2.735 2.744 . 0 0 "[ . 1 . 2]" 1
1166 1 75 ALA H 1 75 ALA MB . . 2.570 2.129 2.038 2.239 . 0 0 "[ . 1 . 2]" 1
1167 1 75 ALA H 1 76 ASP H . . 3.080 2.843 2.826 2.870 . 0 0 "[ . 1 . 2]" 1
1168 1 75 ALA H 1 77 THR H . . 4.290 4.143 4.110 4.169 . 0 0 "[ . 1 . 2]" 1
1169 1 75 ALA H 1 77 THR HB . . 5.290 5.164 5.119 5.233 . 0 0 "[ . 1 . 2]" 1
1170 1 75 ALA HA 1 77 THR H . . 4.620 4.480 4.425 4.528 . 0 0 "[ . 1 . 2]" 1
1171 1 75 ALA MB 1 76 ASP H . . 2.970 2.703 2.585 2.798 . 0 0 "[ . 1 . 2]" 1
1172 1 76 ASP H 1 76 ASP HB2 . . 3.630 2.387 2.165 2.776 . 0 0 "[ . 1 . 2]" 1
1173 1 76 ASP H 1 76 ASP QB . . 2.980 2.316 2.144 2.691 . 0 0 "[ . 1 . 2]" 1
1174 1 76 ASP H 1 76 ASP HB3 . . 3.630 3.403 2.439 3.618 . 0 0 "[ . 1 . 2]" 1
1175 1 76 ASP H 1 77 THR H . . 2.680 2.399 2.332 2.462 . 0 0 "[ . 1 . 2]" 1
1176 1 76 ASP H 1 77 THR HA . . 5.170 5.017 4.955 5.082 . 0 0 "[ . 1 . 2]" 1
1177 1 76 ASP H 1 77 THR HB . . 4.790 4.664 4.572 4.795 0.005 18 0 "[ . 1 . 2]" 1
1178 1 76 ASP QB 1 77 THR H . . 3.450 2.756 2.692 2.823 . 0 0 "[ . 1 . 2]" 1
1179 1 76 ASP HB2 1 77 THR H . . 4.080 3.026 2.766 3.999 . 0 0 "[ . 1 . 2]" 1
1180 1 76 ASP HB3 1 77 THR H . . 4.080 3.507 2.753 4.036 . 0 0 "[ . 1 . 2]" 1
1181 1 77 THR H 1 77 THR HB . . 2.990 2.591 2.526 2.671 . 0 0 "[ . 1 . 2]" 1
1182 1 77 THR H 1 77 THR MG . . 3.780 3.765 3.761 3.768 . 0 0 "[ . 1 . 2]" 1
1183 1 77 THR HA 1 77 THR MG . . 3.410 2.397 2.378 2.421 . 0 0 "[ . 1 . 2]" 1
1184 1 77 THR HA 1 78 PRO HG2 . . 4.450 4.254 4.219 4.290 . 0 0 "[ . 1 . 2]" 1
1185 1 77 THR HA 1 79 ILE MD . . 5.500 5.060 4.883 5.379 . 0 0 "[ . 1 . 2]" 1
1186 1 77 THR HA 1 79 ILE QG . . 5.340 5.142 4.940 5.345 0.005 9 0 "[ . 1 . 2]" 1
1187 1 77 THR HB 1 79 ILE MD . . 4.650 3.325 3.083 3.676 . 0 0 "[ . 1 . 2]" 1
1188 1 77 THR HB 1 79 ILE QG . . 4.350 3.519 3.152 3.873 . 0 0 "[ . 1 . 2]" 1
1189 1 77 THR MG 1 78 PRO HB2 . . 4.580 4.467 4.409 4.522 . 0 0 "[ . 1 . 2]" 1
1190 1 77 THR MG 1 78 PRO HD2 . . 3.510 1.934 1.899 1.966 . 0 0 "[ . 1 . 2]" 1
1191 1 77 THR MG 1 78 PRO HG2 . . 4.070 3.147 3.049 3.199 . 0 0 "[ . 1 . 2]" 1
1192 1 77 THR MG 1 79 ILE MD . . 3.430 2.386 1.952 2.978 . 0 0 "[ . 1 . 2]" 1
1193 1 77 THR MG 1 79 ILE QG . . 4.270 3.264 2.843 3.797 . 0 0 "[ . 1 . 2]" 1
1194 1 78 PRO HA 1 79 ILE H . . 3.040 2.202 2.151 2.319 . 0 0 "[ . 1 . 2]" 1
1195 1 78 PRO HA 1 80 LEU QD . . 4.340 3.828 3.586 4.353 0.013 3 0 "[ . 1 . 2]" 1
1196 1 78 PRO HA 1 100 THR H . . 4.780 4.644 4.331 4.805 0.025 7 0 "[ . 1 . 2]" 1
1197 1 78 PRO HA 1 100 THR HB . . 4.480 3.093 2.532 3.540 . 0 0 "[ . 1 . 2]" 1
1198 1 78 PRO HB2 1 80 LEU QD . . 3.930 2.765 2.339 3.334 . 0 0 "[ . 1 . 2]" 1
1199 1 78 PRO HB2 1 100 THR HB . . 5.240 4.506 4.012 4.767 . 0 0 "[ . 1 . 2]" 1
1200 1 78 PRO HB2 1 119 LEU MD1 . . 3.180 2.468 1.938 3.156 . 0 0 "[ . 1 . 2]" 1
1201 1 78 PRO HB3 1 79 ILE H . . 4.470 4.234 3.901 4.474 0.004 15 0 "[ . 1 . 2]" 1
1202 1 78 PRO HB3 1 80 LEU QD . . 5.270 3.915 3.649 4.368 . 0 0 "[ . 1 . 2]" 1
1203 1 78 PRO HB3 1 100 THR HB . . 5.030 4.653 4.258 4.889 . 0 0 "[ . 1 . 2]" 1
1204 1 78 PRO HB3 1 119 LEU MD2 . . 3.580 2.929 2.471 3.582 0.002 13 0 "[ . 1 . 2]" 1
1205 1 78 PRO HD2 1 79 ILE MD . . 5.500 4.805 4.439 5.043 . 0 0 "[ . 1 . 2]" 1
1206 1 78 PRO HG2 1 80 LEU QD . . 5.110 4.050 3.404 4.643 . 0 0 "[ . 1 . 2]" 1
1207 1 79 ILE H 1 79 ILE HB . . 3.490 2.553 2.418 2.712 . 0 0 "[ . 1 . 2]" 1
1208 1 79 ILE H 1 79 ILE MD . . 3.900 3.631 3.412 3.828 . 0 0 "[ . 1 . 2]" 1
1209 1 79 ILE H 1 79 ILE MG . . 4.120 3.806 3.747 3.868 . 0 0 "[ . 1 . 2]" 1
1210 1 79 ILE H 1 80 LEU H . . 4.580 4.439 4.274 4.580 0.000 4 0 "[ . 1 . 2]" 1
1211 1 79 ILE H 1 80 LEU QD . . 4.190 3.423 2.987 3.902 . 0 0 "[ . 1 . 2]" 1
1212 1 79 ILE H 1 99 ALA HA . . 4.720 4.529 4.286 4.727 0.007 17 0 "[ . 1 . 2]" 1
1213 1 79 ILE H 1 100 THR H . . 3.730 2.877 2.675 3.091 . 0 0 "[ . 1 . 2]" 1
1214 1 79 ILE H 1 100 THR HA . . 4.670 4.473 4.201 4.675 0.005 14 0 "[ . 1 . 2]" 1
1215 1 79 ILE H 1 100 THR HB . . 3.420 2.220 1.948 2.543 . 0 0 "[ . 1 . 2]" 1
1216 1 79 ILE H 1 101 GLY H . . 4.410 3.794 3.518 4.109 . 0 0 "[ . 1 . 2]" 1
1217 1 79 ILE HA 1 79 ILE MD . . 3.760 1.998 1.956 2.054 . 0 0 "[ . 1 . 2]" 1
1218 1 79 ILE HA 1 79 ILE MG . . 3.250 2.405 2.393 2.439 . 0 0 "[ . 1 . 2]" 1
1219 1 79 ILE HA 1 80 LEU H . . 2.820 2.168 2.141 2.227 . 0 0 "[ . 1 . 2]" 1
1220 1 79 ILE HA 1 100 THR H . . 4.710 4.546 4.283 4.687 . 0 0 "[ . 1 . 2]" 1
1221 1 79 ILE HA 1 100 THR HB . . 5.350 4.550 4.157 4.804 . 0 0 "[ . 1 . 2]" 1
1222 1 79 ILE HB 1 99 ALA HA . . 3.930 2.413 2.204 2.656 . 0 0 "[ . 1 . 2]" 1
1223 1 79 ILE HB 1 99 ALA MB . . 4.110 2.954 2.605 3.332 . 0 0 "[ . 1 . 2]" 1
1224 1 79 ILE HB 1 100 THR H . . 3.770 1.970 1.941 2.080 . 0 0 "[ . 1 . 2]" 1
1225 1 79 ILE HB 1 100 THR HB . . 4.860 3.538 3.306 3.749 . 0 0 "[ . 1 . 2]" 1
1226 1 79 ILE HB 1 101 GLY H . . 4.420 3.968 3.716 4.143 . 0 0 "[ . 1 . 2]" 1
1227 1 79 ILE MD 1 80 LEU H . . 4.440 3.489 3.326 3.575 . 0 0 "[ . 1 . 2]" 1
1228 1 79 ILE MG 1 80 LEU H . . 3.500 2.566 2.250 2.940 . 0 0 "[ . 1 . 2]" 1
1229 1 79 ILE MG 1 80 LEU HA . . 3.960 3.521 3.369 3.720 . 0 0 "[ . 1 . 2]" 1
1230 1 79 ILE MG 1 81 VAL H . . 4.100 3.767 3.643 3.958 . 0 0 "[ . 1 . 2]" 1
1231 1 79 ILE MG 1 81 VAL HA . . 5.090 4.223 4.142 4.298 . 0 0 "[ . 1 . 2]" 1
1232 1 79 ILE MG 1 81 VAL HB . . 3.850 3.491 3.360 3.621 . 0 0 "[ . 1 . 2]" 1
1233 1 79 ILE MG 1 99 ALA HA . . 3.440 2.929 2.765 3.233 . 0 0 "[ . 1 . 2]" 1
1234 1 79 ILE MG 1 99 ALA MB . . 2.850 2.397 2.143 2.710 . 0 0 "[ . 1 . 2]" 1
1235 1 79 ILE MG 1 100 THR H . . 3.610 3.370 3.082 3.549 . 0 0 "[ . 1 . 2]" 1
1236 1 79 ILE MG 1 100 THR HB . . 4.730 4.567 4.333 4.733 0.003 3 0 "[ . 1 . 2]" 1
1237 1 79 ILE MG 1 101 GLY H . . 4.470 4.246 4.081 4.411 . 0 0 "[ . 1 . 2]" 1
1238 1 79 ILE MG 1 102 TRP HA . . 5.500 5.531 5.510 5.584 0.084 13 0 "[ . 1 . 2]" 1
1239 1 80 LEU H 1 80 LEU HB2 . . 3.350 2.668 2.295 2.813 . 0 0 "[ . 1 . 2]" 1
1240 1 80 LEU H 1 80 LEU HB3 . . 4.030 3.773 3.531 3.855 . 0 0 "[ . 1 . 2]" 1
1241 1 80 LEU H 1 80 LEU MD1 . . 4.260 3.642 2.723 4.231 . 0 0 "[ . 1 . 2]" 1
1242 1 80 LEU H 1 80 LEU MD2 . . 4.260 2.736 2.186 3.886 . 0 0 "[ . 1 . 2]" 1
1243 1 80 LEU H 1 80 LEU HG . . 4.350 3.821 2.477 4.440 0.090 15 0 "[ . 1 . 2]" 1
1244 1 80 LEU H 1 81 VAL H . . 4.420 4.238 4.135 4.395 . 0 0 "[ . 1 . 2]" 1
1245 1 80 LEU HA 1 80 LEU MD1 . . 3.850 2.632 1.942 3.879 0.029 14 0 "[ . 1 . 2]" 1
1246 1 80 LEU HA 1 80 LEU QD . . 3.020 2.001 1.929 2.157 . 0 0 "[ . 1 . 2]" 1
1247 1 80 LEU HA 1 80 LEU MD2 . . 3.850 2.902 2.005 3.827 . 0 0 "[ . 1 . 2]" 1
1248 1 80 LEU HA 1 80 LEU HG . . 4.070 3.534 2.682 3.708 . 0 0 "[ . 1 . 2]" 1
1249 1 80 LEU HA 1 81 VAL H . . 2.930 2.141 2.139 2.143 . 0 0 "[ . 1 . 2]" 1
1250 1 80 LEU HA 1 81 VAL HB . . 4.920 4.603 4.522 4.653 . 0 0 "[ . 1 . 2]" 1
1251 1 80 LEU HA 1 81 VAL MG1 . . 4.020 3.737 3.650 3.820 . 0 0 "[ . 1 . 2]" 1
1252 1 80 LEU HA 1 99 ALA MB . . 4.600 4.169 4.003 4.275 . 0 0 "[ . 1 . 2]" 1
1253 1 80 LEU HA 1 100 THR HB . . 5.500 4.594 4.312 4.880 . 0 0 "[ . 1 . 2]" 1
1254 1 80 LEU HA 1 101 GLY H . . 3.430 3.263 2.923 3.380 . 0 0 "[ . 1 . 2]" 1
1255 1 80 LEU HA 1 102 TRP HA . . 4.660 3.244 3.143 3.372 . 0 0 "[ . 1 . 2]" 1
1256 1 80 LEU HA 1 103 ILE H . . 5.270 5.151 4.956 5.322 0.052 14 0 "[ . 1 . 2]" 1
1257 1 80 LEU HB2 1 80 LEU MD1 . . 3.380 2.874 2.301 3.180 . 0 0 "[ . 1 . 2]" 1
1258 1 80 LEU HB2 1 80 LEU QD . . 2.820 2.170 2.047 2.390 . 0 0 "[ . 1 . 2]" 1
1259 1 80 LEU HB2 1 80 LEU MD2 . . 3.380 2.485 2.076 3.183 . 0 0 "[ . 1 . 2]" 1
1260 1 80 LEU HB2 1 81 VAL H . . 4.470 4.254 4.157 4.416 . 0 0 "[ . 1 . 2]" 1
1261 1 80 LEU HB2 1 102 TRP HA . . 5.290 5.299 5.140 5.405 0.115 16 0 "[ . 1 . 2]" 1
1262 1 80 LEU HB3 1 80 LEU MD1 . . 3.600 2.424 2.178 3.178 . 0 0 "[ . 1 . 2]" 1
1263 1 80 LEU HB3 1 80 LEU QD . . 3.020 2.266 2.024 2.433 . 0 0 "[ . 1 . 2]" 1
1264 1 80 LEU HB3 1 80 LEU MD2 . . 3.600 2.841 2.336 3.159 . 0 0 "[ . 1 . 2]" 1
1265 1 80 LEU HB3 1 81 VAL H . . 4.410 3.485 3.397 3.569 . 0 0 "[ . 1 . 2]" 1
1266 1 80 LEU HB3 1 81 VAL HA . . 5.010 4.803 4.507 4.971 . 0 0 "[ . 1 . 2]" 1
1267 1 80 LEU HB3 1 101 GLY H . . 5.340 5.339 5.175 5.392 0.052 18 0 "[ . 1 . 2]" 1
1268 1 80 LEU QD 1 81 VAL H . . 3.740 3.591 3.388 3.854 0.114 15 0 "[ . 1 . 2]" 1
1269 1 80 LEU QD 1 100 THR H . . 4.490 4.363 4.148 4.506 0.016 12 0 "[ . 1 . 2]" 1
1270 1 80 LEU QD 1 100 THR HB . . 3.420 3.019 2.689 3.423 0.003 4 0 "[ . 1 . 2]" 1
1271 1 80 LEU QD 1 101 GLY H . . 3.350 2.706 2.376 3.012 . 0 0 "[ . 1 . 2]" 1
1272 1 80 LEU QD 1 101 GLY QA . . 3.600 2.859 2.599 3.064 . 0 0 "[ . 1 . 2]" 1
1273 1 80 LEU QD 1 102 TRP H . . 4.110 3.989 3.501 4.162 0.052 6 0 "[ . 1 . 2]" 1
1274 1 80 LEU QD 1 102 TRP HA . . 4.370 3.693 3.344 4.186 . 0 0 "[ . 1 . 2]" 1
1275 1 80 LEU QD 1 103 ILE H . . 5.440 5.014 4.757 5.385 . 0 0 "[ . 1 . 2]" 1
1276 1 81 VAL H 1 81 VAL HB . . 3.530 2.915 2.847 3.002 . 0 0 "[ . 1 . 2]" 1
1277 1 81 VAL H 1 81 VAL MG1 . . 3.230 1.974 1.919 2.127 . 0 0 "[ . 1 . 2]" 1
1278 1 81 VAL H 1 81 VAL MG2 . . 3.910 3.840 3.814 3.861 . 0 0 "[ . 1 . 2]" 1
1279 1 81 VAL H 1 82 LEU H . . 5.190 4.499 4.465 4.536 . 0 0 "[ . 1 . 2]" 1
1280 1 81 VAL H 1 99 ALA MB . . 4.040 3.813 3.597 4.054 0.014 7 0 "[ . 1 . 2]" 1
1281 1 81 VAL H 1 101 GLY H . . 4.490 4.421 4.205 4.541 0.051 3 0 "[ . 1 . 2]" 1
1282 1 81 VAL H 1 102 TRP HA . . 3.280 2.168 1.963 2.393 . 0 0 "[ . 1 . 2]" 1
1283 1 81 VAL H 1 102 TRP QB . . 4.060 3.331 3.185 3.440 . 0 0 "[ . 1 . 2]" 1
1284 1 81 VAL H 1 103 ILE H . . 4.120 3.930 3.793 4.074 . 0 0 "[ . 1 . 2]" 1
1285 1 81 VAL HA 1 82 LEU H . . 3.020 2.207 2.166 2.268 . 0 0 "[ . 1 . 2]" 1
1286 1 81 VAL HB 1 82 LEU H . . 4.660 4.079 3.978 4.182 . 0 0 "[ . 1 . 2]" 1
1287 1 81 VAL HB 1 94 ALA HA . . 5.370 4.924 4.597 5.195 . 0 0 "[ . 1 . 2]" 1
1288 1 81 VAL HB 1 94 ALA MB . . 3.800 3.600 3.242 3.810 0.010 20 0 "[ . 1 . 2]" 1
1289 1 81 VAL HB 1 102 TRP HA . . 4.800 4.595 4.389 4.810 0.010 13 0 "[ . 1 . 2]" 1
1290 1 81 VAL HB 1 102 TRP HB2 . . 5.060 4.829 4.628 4.993 . 0 0 "[ . 1 . 2]" 1
1291 1 81 VAL HB 1 102 TRP HB3 . . 5.060 4.923 4.650 5.073 0.013 12 0 "[ . 1 . 2]" 1
1292 1 81 VAL MG1 1 82 LEU H . . 3.950 3.799 3.643 3.924 . 0 0 "[ . 1 . 2]" 1
1293 1 81 VAL MG1 1 82 LEU HA . . 4.270 4.173 4.012 4.288 0.018 12 0 "[ . 1 . 2]" 1
1294 1 81 VAL MG1 1 94 ALA HA . . 4.050 3.493 3.245 3.995 . 0 0 "[ . 1 . 2]" 1
1295 1 81 VAL MG1 1 102 TRP HA . . 3.900 2.381 2.014 2.575 . 0 0 "[ . 1 . 2]" 1
1296 1 81 VAL MG1 1 102 TRP HB2 . . 3.950 2.004 1.901 2.166 . 0 0 "[ . 1 . 2]" 1
1297 1 81 VAL MG1 1 102 TRP QB . . 3.460 1.876 1.785 1.998 . 0 0 "[ . 1 . 2]" 1
1298 1 81 VAL MG1 1 102 TRP HB3 . . 3.950 2.271 2.098 2.394 . 0 0 "[ . 1 . 2]" 1
1299 1 81 VAL MG1 1 102 TRP HE3 . . 4.130 3.151 2.695 3.505 . 0 0 "[ . 1 . 2]" 1
1300 1 81 VAL MG1 1 103 ILE H . . 4.350 3.396 3.210 3.507 . 0 0 "[ . 1 . 2]" 1
1301 1 81 VAL MG2 1 82 LEU H . . 3.680 2.243 1.925 2.532 . 0 0 "[ . 1 . 2]" 1
1302 1 81 VAL MG2 1 82 LEU HA . . 4.210 3.980 3.818 4.117 . 0 0 "[ . 1 . 2]" 1
1303 1 81 VAL MG2 1 94 ALA HA . . 4.400 4.280 4.029 4.411 0.011 20 0 "[ . 1 . 2]" 1
1304 1 81 VAL MG2 1 102 TRP HA . . 4.920 4.639 4.439 4.932 0.012 13 0 "[ . 1 . 2]" 1
1305 1 81 VAL MG2 1 102 TRP HB2 . . 4.690 3.975 3.862 4.090 . 0 0 "[ . 1 . 2]" 1
1306 1 81 VAL MG2 1 102 TRP QB . . 4.080 3.764 3.664 3.847 . 0 0 "[ . 1 . 2]" 1
1307 1 81 VAL MG2 1 102 TRP HB3 . . 4.690 4.660 4.556 4.704 0.014 6 0 "[ . 1 . 2]" 1
1308 1 81 VAL MG2 1 102 TRP HE3 . . 4.640 4.336 4.033 4.623 . 0 0 "[ . 1 . 2]" 1
1309 1 81 VAL MG2 1 103 ILE H . . 5.110 4.736 4.577 5.008 . 0 0 "[ . 1 . 2]" 1
1310 1 82 LEU H 1 82 LEU QB . . 3.340 2.469 2.240 2.702 . 0 0 "[ . 1 . 2]" 1
1311 1 82 LEU H 1 82 LEU HG . . 3.540 2.751 2.126 3.547 0.007 16 0 "[ . 1 . 2]" 1
1312 1 82 LEU H 1 83 THR H . . 4.760 4.585 4.552 4.601 . 0 0 "[ . 1 . 2]" 1
1313 1 82 LEU H 1 103 ILE MD . . 4.750 4.111 3.326 4.793 0.043 12 0 "[ . 1 . 2]" 1
1314 1 82 LEU HA 1 82 LEU HG . . 3.810 2.838 2.336 3.656 . 0 0 "[ . 1 . 2]" 1
1315 1 82 LEU HA 1 83 THR H . . 2.910 2.272 2.191 2.292 . 0 0 "[ . 1 . 2]" 1
1316 1 82 LEU HA 1 83 THR HA . . 5.450 4.442 4.407 4.482 . 0 0 "[ . 1 . 2]" 1
1317 1 82 LEU HA 1 83 THR MG . . 4.180 3.731 3.522 3.864 . 0 0 "[ . 1 . 2]" 1
1318 1 82 LEU HA 1 102 TRP HA . . 5.070 4.712 4.474 4.984 . 0 0 "[ . 1 . 2]" 1
1319 1 82 LEU HA 1 103 ILE H . . 3.520 2.912 2.625 3.282 . 0 0 "[ . 1 . 2]" 1
1320 1 82 LEU HA 1 103 ILE HB . . 5.080 4.504 4.055 4.898 . 0 0 "[ . 1 . 2]" 1
1321 1 82 LEU HA 1 103 ILE MD . . 4.580 2.879 1.880 4.055 . 0 0 "[ . 1 . 2]" 1
1322 1 82 LEU HA 1 103 ILE QG . . 4.950 3.184 2.272 4.038 . 0 0 "[ . 1 . 2]" 1
1323 1 82 LEU HA 1 107 ILE MD . . 4.350 4.123 3.770 4.372 0.022 15 0 "[ . 1 . 2]" 1
1324 1 82 LEU QB 1 83 THR H . . 3.490 2.724 2.658 2.975 . 0 0 "[ . 1 . 2]" 1
1325 1 82 LEU HB2 1 83 THR H . . 4.240 3.755 2.961 4.142 . 0 0 "[ . 1 . 2]" 1
1326 1 82 LEU HB3 1 83 THR H . . 4.240 2.851 2.709 4.166 . 0 0 "[ . 1 . 2]" 1
1327 1 83 THR H 1 83 THR HB . . 4.030 3.256 3.180 3.409 . 0 0 "[ . 1 . 2]" 1
1328 1 83 THR H 1 83 THR MG . . 3.230 2.245 1.968 2.465 . 0 0 "[ . 1 . 2]" 1
1329 1 83 THR H 1 103 ILE H . . 4.280 3.985 3.678 4.283 0.003 13 0 "[ . 1 . 2]" 1
1330 1 83 THR H 1 104 GLU HA . . 3.690 2.584 2.406 2.885 . 0 0 "[ . 1 . 2]" 1
1331 1 83 THR H 1 105 LYS H . . 3.720 2.983 2.619 3.329 . 0 0 "[ . 1 . 2]" 1
1332 1 83 THR H 1 105 LYS QB . . 3.890 3.823 3.274 3.975 0.085 3 0 "[ . 1 . 2]" 1
1333 1 83 THR HA 1 84 THR H . . 3.030 2.378 2.216 2.530 . 0 0 "[ . 1 . 2]" 1
1334 1 83 THR HA 1 84 THR MG . . 4.170 3.652 3.319 3.950 . 0 0 "[ . 1 . 2]" 1
1335 1 83 THR HA 1 85 GLU H . . 4.610 4.280 4.047 4.619 0.009 18 0 "[ . 1 . 2]" 1
1336 1 83 THR HA 1 105 LYS H . . 5.500 5.150 4.787 5.507 0.007 19 0 "[ . 1 . 2]" 1
1337 1 83 THR HB 1 84 THR H . . 4.400 3.794 3.661 4.007 . 0 0 "[ . 1 . 2]" 1
1338 1 83 THR HB 1 85 GLU H . . 5.280 4.882 4.631 5.121 . 0 0 "[ . 1 . 2]" 1
1339 1 83 THR MG 1 84 THR H . . 4.160 3.500 3.130 3.992 . 0 0 "[ . 1 . 2]" 1
1340 1 83 THR MG 1 85 GLU H . . 4.030 3.873 3.074 4.040 0.010 11 0 "[ . 1 . 2]" 1
1341 1 83 THR MG 1 86 GLY H . . 4.470 3.413 2.762 4.478 0.008 19 0 "[ . 1 . 2]" 1
1342 1 83 THR MG 1 102 TRP QB . . 4.000 3.533 3.148 3.987 . 0 0 "[ . 1 . 2]" 1
1343 1 83 THR MG 1 102 TRP HE1 . . 4.960 4.998 4.965 5.038 0.078 17 0 "[ . 1 . 2]" 1
1344 1 83 THR MG 1 102 TRP HE3 . . 4.230 2.704 2.439 3.088 . 0 0 "[ . 1 . 2]" 1
1345 1 83 THR MG 1 102 TRP HH2 . . 4.200 3.359 3.084 3.525 . 0 0 "[ . 1 . 2]" 1
1346 1 83 THR MG 1 102 TRP HZ2 . . 4.830 4.213 4.046 4.381 . 0 0 "[ . 1 . 2]" 1
1347 1 83 THR MG 1 102 TRP HZ3 . . 4.370 2.669 2.455 2.909 . 0 0 "[ . 1 . 2]" 1
1348 1 83 THR MG 1 103 ILE H . . 4.760 3.504 3.121 3.858 . 0 0 "[ . 1 . 2]" 1
1349 1 83 THR MG 1 104 GLU HA . . 3.610 2.042 1.919 2.468 . 0 0 "[ . 1 . 2]" 1
1350 1 83 THR MG 1 104 GLU QG . . 3.820 3.025 1.951 3.931 0.111 20 0 "[ . 1 . 2]" 1
1351 1 83 THR MG 1 105 LYS H . . 4.110 3.518 3.319 3.983 . 0 0 "[ . 1 . 2]" 1
1352 1 84 THR H 1 84 THR MG . . 3.460 2.370 1.919 3.208 . 0 0 "[ . 1 . 2]" 1
1353 1 84 THR HA 1 84 THR MG . . 3.700 2.701 2.124 3.207 . 0 0 "[ . 1 . 2]" 1
1354 1 84 THR HB 1 85 GLU H . . 4.270 3.802 3.150 4.045 . 0 0 "[ . 1 . 2]" 1
1355 1 84 THR MG 1 85 GLU H . . 4.010 3.060 1.919 4.011 0.001 10 0 "[ . 1 . 2]" 1
1356 1 85 GLU H 1 85 GLU HB2 . . 4.090 2.692 2.089 3.988 . 0 0 "[ . 1 . 2]" 1
1357 1 85 GLU H 1 85 GLU QB . . 3.430 2.406 2.067 3.324 . 0 0 "[ . 1 . 2]" 1
1358 1 85 GLU H 1 85 GLU HB3 . . 4.090 3.311 2.222 3.833 . 0 0 "[ . 1 . 2]" 1
1359 1 85 GLU H 1 85 GLU QG . . 3.580 2.886 1.928 3.731 0.151 8 0 "[ . 1 . 2]" 1
1360 1 85 GLU H 1 86 GLY H . . 4.720 3.144 2.126 4.495 . 0 0 "[ . 1 . 2]" 1
1361 1 85 GLU H 1 87 SER H . . 5.160 4.704 3.967 5.121 . 0 0 "[ . 1 . 2]" 1
1362 1 85 GLU QB 1 86 GLY H . . 3.990 2.678 1.939 3.961 . 0 0 "[ . 1 . 2]" 1
1363 1 85 GLU QB 1 87 SER H . . 4.550 3.231 2.562 4.588 0.038 7 0 "[ . 1 . 2]" 1
1364 1 85 GLU QG 1 86 GLY H . . 4.320 3.653 1.892 4.277 . 0 0 "[ . 1 . 2]" 1
1365 1 86 GLY H 1 87 SER H . . 3.500 2.626 2.124 3.507 0.007 19 0 "[ . 1 . 2]" 1
1366 1 86 GLY H 1 87 SER HA . . 5.250 4.936 4.415 5.240 . 0 0 "[ . 1 . 2]" 1
1367 1 87 SER H 1 87 SER HB2 . . 3.440 2.797 2.162 3.452 0.012 2 0 "[ . 1 . 2]" 1
1368 1 87 SER H 1 87 SER QB . . 2.920 2.474 2.140 2.976 0.056 7 0 "[ . 1 . 2]" 1
1369 1 87 SER H 1 87 SER HB3 . . 3.440 2.961 2.342 3.643 0.203 7 0 "[ . 1 . 2]" 1
1370 1 87 SER H 1 89 ALA H . . 5.500 5.317 4.937 5.496 . 0 0 "[ . 1 . 2]" 1
1371 1 87 SER H 1 90 PHE H . . 4.520 4.132 3.719 4.564 0.044 7 0 "[ . 1 . 2]" 1
1372 1 87 SER H 1 90 PHE QB . . 3.750 3.032 2.356 3.672 . 0 0 "[ . 1 . 2]" 1
1373 1 87 SER QB 1 88 ASP H . . 3.870 3.061 2.278 3.764 . 0 0 "[ . 1 . 2]" 1
1374 1 87 SER HB2 1 88 ASP H . . 4.700 3.783 2.602 4.330 . 0 0 "[ . 1 . 2]" 1
1375 1 87 SER HB3 1 88 ASP H . . 4.700 3.353 2.297 4.313 . 0 0 "[ . 1 . 2]" 1
1376 1 88 ASP H 1 88 ASP QB . . 3.360 2.332 2.184 2.685 . 0 0 "[ . 1 . 2]" 1
1377 1 88 ASP H 1 89 ALA H . . 3.750 2.627 2.418 2.927 . 0 0 "[ . 1 . 2]" 1
1378 1 88 ASP H 1 90 PHE H . . 4.750 4.213 4.043 4.437 . 0 0 "[ . 1 . 2]" 1
1379 1 88 ASP HA 1 91 LYS H . . 3.650 3.369 3.049 3.511 . 0 0 "[ . 1 . 2]" 1
1380 1 88 ASP HA 1 91 LYS HA . . 5.500 5.347 4.895 5.562 0.062 5 0 "[ . 1 . 2]" 1
1381 1 88 ASP HA 1 91 LYS QB . . 3.530 3.217 2.465 3.607 0.077 5 0 "[ . 1 . 2]" 1
1382 1 88 ASP HA 1 91 LYS QD . . 3.580 2.592 1.968 3.580 0.000 6 0 "[ . 1 . 2]" 1
1383 1 88 ASP HA 1 91 LYS HE2 . . 5.100 4.197 2.701 4.907 . 0 0 "[ . 1 . 2]" 1
1384 1 88 ASP HA 1 91 LYS QE . . 4.250 3.508 1.967 4.250 0.000 4 0 "[ . 1 . 2]" 1
1385 1 88 ASP HA 1 91 LYS HE3 . . 5.100 3.970 2.021 5.136 0.036 5 0 "[ . 1 . 2]" 1
1386 1 88 ASP QB 1 89 ALA H . . 3.300 2.694 2.468 3.027 . 0 0 "[ . 1 . 2]" 1
1387 1 88 ASP QB 1 89 ALA HA . . 5.200 3.980 3.818 4.332 . 0 0 "[ . 1 . 2]" 1
1388 1 88 ASP QB 1 89 ALA MB . . 4.230 3.951 3.820 4.246 0.016 12 0 "[ . 1 . 2]" 1
1389 1 89 ALA H 1 89 ALA MB . . 2.930 2.160 2.028 2.233 . 0 0 "[ . 1 . 2]" 1
1390 1 89 ALA H 1 90 PHE H . . 3.370 2.739 2.622 2.854 . 0 0 "[ . 1 . 2]" 1
1391 1 89 ALA H 1 90 PHE QB . . 4.890 4.469 4.357 4.580 . 0 0 "[ . 1 . 2]" 1
1392 1 89 ALA H 1 91 LYS H . . 4.570 4.266 4.173 4.442 . 0 0 "[ . 1 . 2]" 1
1393 1 89 ALA H 1 92 ALA H . . 5.500 5.216 4.753 5.389 . 0 0 "[ . 1 . 2]" 1
1394 1 89 ALA MB 1 90 PHE H . . 2.990 2.631 2.377 2.770 . 0 0 "[ . 1 . 2]" 1
1395 1 89 ALA MB 1 90 PHE QB . . 3.910 3.845 3.728 3.913 0.003 18 0 "[ . 1 . 2]" 1
1396 1 90 PHE H 1 90 PHE HB2 . . 3.070 2.275 2.184 2.452 . 0 0 "[ . 1 . 2]" 1
1397 1 90 PHE H 1 90 PHE HB3 . . 3.070 2.837 2.652 2.952 . 0 0 "[ . 1 . 2]" 1
1398 1 90 PHE H 1 90 PHE QD . . 4.250 4.068 3.925 4.184 . 0 0 "[ . 1 . 2]" 1
1399 1 90 PHE HA 1 90 PHE QD . . 3.800 3.033 2.824 3.116 . 0 0 "[ . 1 . 2]" 1
1400 1 90 PHE HA 1 93 ALA MB . . 3.710 2.913 2.551 3.637 . 0 0 "[ . 1 . 2]" 1
1401 1 90 PHE HA 1 94 ALA MB . . 5.500 5.453 5.141 5.519 0.019 5 0 "[ . 1 . 2]" 1
1402 1 90 PHE QB 1 91 LYS H . . 3.690 2.600 2.323 2.714 . 0 0 "[ . 1 . 2]" 1
1403 1 90 PHE QD 1 91 LYS H . . 4.180 3.958 3.649 4.182 0.002 15 0 "[ . 1 . 2]" 1
1404 1 90 PHE QD 1 91 LYS HA . . 4.370 3.564 3.163 3.945 . 0 0 "[ . 1 . 2]" 1
1405 1 90 PHE QD 1 94 ALA H . . 4.580 3.604 3.188 4.452 . 0 0 "[ . 1 . 2]" 1
1406 1 91 LYS H 1 91 LYS QB . . 3.150 2.476 2.276 2.622 . 0 0 "[ . 1 . 2]" 1
1407 1 91 LYS H 1 91 LYS QE . . 4.870 4.500 3.835 4.952 0.082 5 0 "[ . 1 . 2]" 1
1408 1 91 LYS H 1 91 LYS HG2 . . 3.740 3.222 2.410 3.734 . 0 0 "[ . 1 . 2]" 1
1409 1 91 LYS H 1 91 LYS QG . . 3.230 2.170 1.961 2.550 . 0 0 "[ . 1 . 2]" 1
1410 1 91 LYS H 1 91 LYS HG3 . . 3.740 2.270 1.978 3.504 . 0 0 "[ . 1 . 2]" 1
1411 1 91 LYS H 1 92 ALA H . . 3.240 2.768 2.641 2.792 . 0 0 "[ . 1 . 2]" 1
1412 1 91 LYS H 1 94 ALA MB . . 5.280 5.149 4.695 5.282 0.002 2 0 "[ . 1 . 2]" 1
1413 1 91 LYS HA 1 91 LYS HD2 . . 5.500 4.596 3.763 4.894 . 0 0 "[ . 1 . 2]" 1
1414 1 91 LYS HA 1 91 LYS QD . . 4.740 4.026 3.584 4.359 . 0 0 "[ . 1 . 2]" 1
1415 1 91 LYS HA 1 91 LYS HD3 . . 5.500 4.507 4.001 5.464 . 0 0 "[ . 1 . 2]" 1
1416 1 91 LYS HA 1 91 LYS QG . . 3.720 2.464 2.254 3.331 . 0 0 "[ . 1 . 2]" 1
1417 1 91 LYS HA 1 93 ALA H . . 4.330 4.177 3.899 4.337 0.007 7 0 "[ . 1 . 2]" 1
1418 1 91 LYS HA 1 94 ALA H . . 4.100 3.653 3.022 3.894 . 0 0 "[ . 1 . 2]" 1
1419 1 91 LYS HA 1 94 ALA MB . . 3.550 3.016 2.230 3.236 . 0 0 "[ . 1 . 2]" 1
1420 1 91 LYS HA 1 95 ARG H . . 4.610 4.056 3.800 4.276 . 0 0 "[ . 1 . 2]" 1
1421 1 91 LYS HA 1 102 TRP HE3 . . 5.000 4.328 3.639 4.768 . 0 0 "[ . 1 . 2]" 1
1422 1 91 LYS QB 1 92 ALA H . . 4.010 2.719 2.655 3.505 . 0 0 "[ . 1 . 2]" 1
1423 1 91 LYS HB2 1 92 ALA H . . 4.610 2.806 2.711 3.980 . 0 0 "[ . 1 . 2]" 1
1424 1 91 LYS HB3 1 92 ALA H . . 4.610 3.743 3.503 3.891 . 0 0 "[ . 1 . 2]" 1
1425 1 91 LYS QD 1 102 TRP HE1 . . 3.650 3.260 2.282 3.635 . 0 0 "[ . 1 . 2]" 1
1426 1 91 LYS QD 1 102 TRP HZ2 . . 4.150 3.101 2.263 4.084 . 0 0 "[ . 1 . 2]" 1
1427 1 91 LYS QE 1 102 TRP HE1 . . 3.950 3.053 2.008 3.950 . 0 0 "[ . 1 . 2]" 1
1428 1 91 LYS QG 1 92 ALA H . . 4.770 4.008 2.268 4.325 . 0 0 "[ . 1 . 2]" 1
1429 1 91 LYS QG 1 102 TRP HE1 . . 4.400 3.244 2.521 4.535 0.135 5 0 "[ . 1 . 2]" 1
1430 1 91 LYS QG 1 102 TRP HE3 . . 5.340 4.426 3.522 5.388 0.048 5 0 "[ . 1 . 2]" 1
1431 1 92 ALA H 1 92 ALA MB . . 2.560 2.118 2.027 2.220 . 0 0 "[ . 1 . 2]" 1
1432 1 92 ALA HA 1 94 ALA MB . . 5.500 5.300 5.087 5.500 0.000 6 0 "[ . 1 . 2]" 1
1433 1 92 ALA HA 1 95 ARG H . . 3.930 3.799 3.696 3.905 . 0 0 "[ . 1 . 2]" 1
1434 1 92 ALA HA 1 95 ARG QB . . 3.480 2.841 2.596 3.343 . 0 0 "[ . 1 . 2]" 1
1435 1 92 ALA HA 1 96 ASP H . . 4.150 3.951 3.886 4.170 0.020 5 0 "[ . 1 . 2]" 1
1436 1 93 ALA H 1 93 ALA MB . . 2.670 2.116 2.030 2.233 . 0 0 "[ . 1 . 2]" 1
1437 1 93 ALA H 1 94 ALA H . . 3.320 2.815 2.454 2.882 . 0 0 "[ . 1 . 2]" 1
1438 1 93 ALA H 1 94 ALA HA . . 5.420 5.367 5.087 5.421 0.001 2 0 "[ . 1 . 2]" 1
1439 1 93 ALA H 1 94 ALA MB . . 4.480 4.360 4.016 4.446 . 0 0 "[ . 1 . 2]" 1
1440 1 93 ALA H 1 95 ARG H . . 4.260 4.112 3.869 4.255 . 0 0 "[ . 1 . 2]" 1
1441 1 93 ALA H 1 95 ARG QB . . 5.210 4.891 4.653 5.221 0.011 5 0 "[ . 1 . 2]" 1
1442 1 93 ALA H 1 96 ASP H . . 4.590 4.482 4.416 4.609 0.019 5 0 "[ . 1 . 2]" 1
1443 1 93 ALA HA 1 94 ALA MB . . 5.080 5.039 4.995 5.048 . 0 0 "[ . 1 . 2]" 1
1444 1 93 ALA HA 1 96 ASP H . . 3.480 3.444 3.381 3.485 0.005 17 0 "[ . 1 . 2]" 1
1445 1 93 ALA HA 1 96 ASP QB . . 3.440 2.433 2.222 2.582 . 0 0 "[ . 1 . 2]" 1
1446 1 93 ALA HA 1 97 ALA H . . 4.360 4.152 3.984 4.349 . 0 0 "[ . 1 . 2]" 1
1447 1 93 ALA MB 1 94 ALA H . . 3.270 2.263 2.101 2.629 . 0 0 "[ . 1 . 2]" 1
1448 1 94 ALA H 1 94 ALA MB . . 3.060 2.162 2.026 2.233 . 0 0 "[ . 1 . 2]" 1
1449 1 94 ALA H 1 95 ARG QB . . 4.950 4.629 4.543 4.738 . 0 0 "[ . 1 . 2]" 1
1450 1 94 ALA HA 1 97 ALA H . . 3.820 3.661 3.510 3.828 0.008 15 0 "[ . 1 . 2]" 1
1451 1 94 ALA HA 1 97 ALA MB . . 3.310 3.054 2.788 3.310 . 0 0 "[ . 1 . 2]" 1
1452 1 94 ALA HA 1 98 GLY H . . 4.960 4.515 4.217 4.825 . 0 0 "[ . 1 . 2]" 1
1453 1 94 ALA HA 1 99 ALA H . . 4.950 4.464 4.059 4.911 . 0 0 "[ . 1 . 2]" 1
1454 1 94 ALA HA 1 99 ALA MB . . 3.860 3.296 3.013 3.540 . 0 0 "[ . 1 . 2]" 1
1455 1 94 ALA MB 1 95 ARG H . . 3.510 2.509 2.370 2.765 . 0 0 "[ . 1 . 2]" 1
1456 1 94 ALA MB 1 95 ARG HA . . 4.280 3.779 3.693 3.836 . 0 0 "[ . 1 . 2]" 1
1457 1 94 ALA MB 1 97 ALA H . . 4.810 4.719 4.581 4.816 0.006 20 0 "[ . 1 . 2]" 1
1458 1 94 ALA MB 1 98 GLY H . . 5.370 4.920 4.722 5.119 . 0 0 "[ . 1 . 2]" 1
1459 1 94 ALA MB 1 99 ALA H . . 4.440 4.189 3.914 4.466 0.026 5 0 "[ . 1 . 2]" 1
1460 1 94 ALA MB 1 99 ALA MB . . 3.100 2.407 2.201 2.661 . 0 0 "[ . 1 . 2]" 1
1461 1 94 ALA MB 1 101 GLY H . . 5.500 5.465 5.225 5.517 0.017 5 0 "[ . 1 . 2]" 1
1462 1 94 ALA MB 1 102 TRP H . . 5.500 5.137 4.875 5.484 . 0 0 "[ . 1 . 2]" 1
1463 1 94 ALA MB 1 102 TRP HA . . 5.130 4.582 4.388 4.790 . 0 0 "[ . 1 . 2]" 1
1464 1 94 ALA MB 1 102 TRP QB . . 3.940 2.873 2.647 3.105 . 0 0 "[ . 1 . 2]" 1
1465 1 94 ALA MB 1 102 TRP HE3 . . 4.120 3.845 3.512 4.157 0.037 5 0 "[ . 1 . 2]" 1
1466 1 95 ARG H 1 95 ARG QB . . 2.970 2.231 2.153 2.297 . 0 0 "[ . 1 . 2]" 1
1467 1 95 ARG H 1 95 ARG QG . . 4.390 3.553 2.504 4.052 . 0 0 "[ . 1 . 2]" 1
1468 1 95 ARG H 1 99 ALA MB . . 4.630 4.284 3.523 4.636 0.006 18 0 "[ . 1 . 2]" 1
1469 1 95 ARG HA 1 95 ARG QD . . 4.150 3.539 1.980 4.146 . 0 0 "[ . 1 . 2]" 1
1470 1 95 ARG HA 1 95 ARG QG . . 3.620 2.421 2.156 3.073 . 0 0 "[ . 1 . 2]" 1
1471 1 95 ARG HA 1 96 ASP H . . 3.480 3.513 3.511 3.515 0.035 7 0 "[ . 1 . 2]" 1
1472 1 95 ARG HA 1 97 ALA H . . 4.640 4.351 4.134 4.476 . 0 0 "[ . 1 . 2]" 1
1473 1 95 ARG HA 1 98 GLY H . . 3.810 3.405 3.185 3.607 . 0 0 "[ . 1 . 2]" 1
1474 1 95 ARG HA 1 99 ALA H . . 3.270 2.815 2.076 3.186 . 0 0 "[ . 1 . 2]" 1
1475 1 95 ARG QB 1 95 ARG QD . . 3.170 2.192 2.003 2.445 . 0 0 "[ . 1 . 2]" 1
1476 1 95 ARG QB 1 96 ASP H . . 2.950 2.700 2.676 2.741 . 0 0 "[ . 1 . 2]" 1
1477 1 95 ARG QG 1 96 ASP H . . 4.730 4.097 3.589 4.518 . 0 0 "[ . 1 . 2]" 1
1478 1 96 ASP H 1 96 ASP QB . . 2.820 2.224 2.153 2.262 . 0 0 "[ . 1 . 2]" 1
1479 1 96 ASP H 1 97 ALA H . . 2.890 2.659 2.529 2.764 . 0 0 "[ . 1 . 2]" 1
1480 1 96 ASP H 1 98 GLY H . . 4.320 4.084 4.035 4.139 . 0 0 "[ . 1 . 2]" 1
1481 1 96 ASP QB 1 97 ALA H . . 3.160 2.637 2.535 2.754 . 0 0 "[ . 1 . 2]" 1
1482 1 96 ASP QB 1 98 GLY H . . 5.190 4.723 4.620 4.810 . 0 0 "[ . 1 . 2]" 1
1483 1 97 ALA H 1 97 ALA MB . . 2.610 2.206 2.090 2.248 . 0 0 "[ . 1 . 2]" 1
1484 1 97 ALA H 1 98 GLY H . . 3.050 2.605 2.503 2.674 . 0 0 "[ . 1 . 2]" 1
1485 1 97 ALA H 1 99 ALA H . . 4.200 4.103 3.961 4.205 0.005 16 0 "[ . 1 . 2]" 1
1486 1 97 ALA MB 1 98 GLY H . . 3.440 2.657 2.620 2.780 . 0 0 "[ . 1 . 2]" 1
1487 1 97 ALA MB 1 98 GLY QA . . 4.820 3.778 3.743 3.809 . 0 0 "[ . 1 . 2]" 1
1488 1 98 GLY H 1 99 ALA H . . 2.800 1.971 1.886 2.054 . 0 0 "[ . 1 . 2]" 1
1489 1 98 GLY H 1 99 ALA MB . . 3.780 3.633 3.499 3.712 . 0 0 "[ . 1 . 2]" 1
1490 1 98 GLY QA 1 99 ALA H . . 3.110 2.751 2.664 2.785 . 0 0 "[ . 1 . 2]" 1
1491 1 99 ALA H 1 99 ALA MB . . 2.800 2.332 2.212 2.411 . 0 0 "[ . 1 . 2]" 1
1492 1 99 ALA H 1 100 THR H . . 4.740 4.525 4.378 4.558 . 0 0 "[ . 1 . 2]" 1
1493 1 99 ALA HA 1 100 THR H . . 2.850 2.259 2.143 2.490 . 0 0 "[ . 1 . 2]" 1
1494 1 99 ALA HA 1 100 THR HB . . 4.930 4.757 4.642 4.826 . 0 0 "[ . 1 . 2]" 1
1495 1 99 ALA MB 1 100 THR H . . 3.270 2.737 2.237 3.173 . 0 0 "[ . 1 . 2]" 1
1496 1 99 ALA MB 1 101 GLY H . . 3.660 3.548 3.335 3.673 0.013 18 0 "[ . 1 . 2]" 1
1497 1 100 THR H 1 100 THR HB . . 3.220 2.553 2.501 2.626 . 0 0 "[ . 1 . 2]" 1
1498 1 100 THR H 1 101 GLY H . . 3.130 2.856 2.407 3.137 0.007 17 0 "[ . 1 . 2]" 1
1499 1 100 THR HB 1 101 GLY H . . 3.350 2.110 1.951 2.324 . 0 0 "[ . 1 . 2]" 1
1500 1 100 THR MG 1 101 GLY H . . 3.180 2.972 2.683 3.183 0.003 4 0 "[ . 1 . 2]" 1
1501 1 101 GLY H 1 102 TRP H . . 4.430 4.429 4.390 4.469 0.039 4 0 "[ . 1 . 2]" 1
1502 1 101 GLY QA 1 102 TRP H . . 2.670 2.276 2.257 2.283 . 0 0 "[ . 1 . 2]" 1
1503 1 101 GLY HA2 1 102 TRP H . . 3.050 2.515 2.405 2.623 . 0 0 "[ . 1 . 2]" 1
1504 1 101 GLY HA3 1 102 TRP H . . 3.050 2.613 2.504 2.735 . 0 0 "[ . 1 . 2]" 1
1505 1 102 TRP H 1 102 TRP HD1 . . 3.820 1.905 1.864 1.928 . 0 0 "[ . 1 . 2]" 1
1506 1 102 TRP H 1 103 ILE MD . . 5.500 5.046 3.789 5.649 0.149 12 0 "[ . 1 . 2]" 1
1507 1 102 TRP H 1 103 ILE QG . . 5.340 5.029 4.536 5.556 0.216 20 0 "[ . 1 . 2]" 1
1508 1 102 TRP H 1 103 ILE MG . . 4.270 4.213 3.988 4.311 0.041 15 0 "[ . 1 . 2]" 1
1509 1 102 TRP HA 1 102 TRP HD1 . . 4.790 3.926 3.888 3.943 . 0 0 "[ . 1 . 2]" 1
1510 1 102 TRP HA 1 102 TRP HE3 . . 5.170 4.859 4.838 4.909 . 0 0 "[ . 1 . 2]" 1
1511 1 102 TRP HA 1 103 ILE H . . 2.980 2.421 2.395 2.472 . 0 0 "[ . 1 . 2]" 1
1512 1 102 TRP HA 1 103 ILE HA . . 5.210 4.507 4.493 4.527 . 0 0 "[ . 1 . 2]" 1
1513 1 102 TRP HA 1 103 ILE HB . . 5.500 5.573 5.525 5.635 0.135 17 0 "[ . 1 . 2]" 1
1514 1 102 TRP HA 1 103 ILE QG . . 5.180 3.276 2.934 3.617 . 0 0 "[ . 1 . 2]" 1
1515 1 102 TRP QB 1 103 ILE H . . 3.350 2.496 2.415 2.537 . 0 0 "[ . 1 . 2]" 1
1516 1 102 TRP HB2 1 103 ILE H . . 3.910 2.526 2.440 2.569 . 0 0 "[ . 1 . 2]" 1
1517 1 102 TRP HB3 1 103 ILE H . . 3.910 3.911 3.854 3.938 0.028 2 0 "[ . 1 . 2]" 1
1518 1 102 TRP HD1 1 103 ILE H . . 4.540 4.558 4.468 4.595 0.055 2 0 "[ . 1 . 2]" 1
1519 1 102 TRP HE3 1 103 ILE H . . 4.580 4.282 4.149 4.491 . 0 0 "[ . 1 . 2]" 1
1520 1 103 ILE H 1 103 ILE HB . . 3.990 3.765 3.712 3.893 . 0 0 "[ . 1 . 2]" 1
1521 1 103 ILE H 1 103 ILE MD . . 4.250 2.565 1.903 4.004 . 0 0 "[ . 1 . 2]" 1
1522 1 103 ILE H 1 103 ILE HG12 . . 4.160 3.081 2.134 3.946 . 0 0 "[ . 1 . 2]" 1
1523 1 103 ILE H 1 103 ILE QG . . 3.420 2.354 2.123 2.547 . 0 0 "[ . 1 . 2]" 1
1524 1 103 ILE H 1 103 ILE HG13 . . 4.160 3.018 2.504 3.790 . 0 0 "[ . 1 . 2]" 1
1525 1 103 ILE H 1 103 ILE MG . . 3.720 3.533 3.303 3.655 . 0 0 "[ . 1 . 2]" 1
1526 1 103 ILE H 1 104 GLU HA . . 4.850 4.720 4.678 4.753 . 0 0 "[ . 1 . 2]" 1
1527 1 103 ILE HA 1 103 ILE MD . . 3.830 3.554 3.280 4.120 0.290 10 0 "[ . 1 . 2]" 1
1528 1 103 ILE HA 1 103 ILE QG . . 3.510 3.354 3.191 3.393 . 0 0 "[ . 1 . 2]" 1
1529 1 103 ILE HA 1 103 ILE MG . . 3.090 2.137 2.013 2.210 . 0 0 "[ . 1 . 2]" 1
1530 1 103 ILE HA 1 104 GLU H . . 2.670 2.443 2.355 2.478 . 0 0 "[ . 1 . 2]" 1
1531 1 103 ILE HB 1 103 ILE MD . . 3.250 2.647 2.356 3.176 . 0 0 "[ . 1 . 2]" 1
1532 1 103 ILE HB 1 104 GLU H . . 4.090 2.348 2.253 2.617 . 0 0 "[ . 1 . 2]" 1
1533 1 103 ILE MD 1 104 GLU H . . 4.720 4.097 3.438 4.781 0.061 20 0 "[ . 1 . 2]" 1
1534 1 103 ILE QG 1 103 ILE MG . . 3.140 2.279 2.075 2.497 . 0 0 "[ . 1 . 2]" 1
1535 1 103 ILE QG 1 104 GLU HA . . 5.340 5.042 4.236 5.470 0.130 3 0 "[ . 1 . 2]" 1
1536 1 103 ILE HG12 1 104 GLU H . . 4.970 4.609 4.299 4.977 0.007 15 0 "[ . 1 . 2]" 1
1537 1 103 ILE HG13 1 104 GLU H . . 4.970 4.633 3.838 4.988 0.018 3 0 "[ . 1 . 2]" 1
1538 1 103 ILE MG 1 104 GLU H . . 3.590 3.130 2.909 3.497 . 0 0 "[ . 1 . 2]" 1
1539 1 103 ILE MG 1 104 GLU QG . . 5.160 4.487 3.926 5.072 . 0 0 "[ . 1 . 2]" 1
1540 1 104 GLU H 1 104 GLU QB . . 2.950 2.720 2.296 2.999 0.049 20 0 "[ . 1 . 2]" 1
1541 1 104 GLU H 1 104 GLU QG . . 3.210 2.437 1.903 3.114 . 0 0 "[ . 1 . 2]" 1
1542 1 104 GLU H 1 105 LYS H . . 4.630 4.380 4.112 4.516 . 0 0 "[ . 1 . 2]" 1
1543 1 104 GLU HA 1 104 GLU QG . . 3.500 2.887 2.245 3.460 . 0 0 "[ . 1 . 2]" 1
1544 1 104 GLU HA 1 105 LYS H . . 3.040 2.164 2.137 2.218 . 0 0 "[ . 1 . 2]" 1
1545 1 104 GLU HA 1 105 LYS HA . . 4.440 4.385 4.353 4.450 0.010 4 0 "[ . 1 . 2]" 1
1546 1 104 GLU HA 1 105 LYS QD . . 4.940 4.255 3.268 4.997 0.057 17 0 "[ . 1 . 2]" 1
1547 1 104 GLU QB 1 105 LYS H . . 4.290 3.221 2.868 3.603 . 0 0 "[ . 1 . 2]" 1
1548 1 104 GLU QG 1 105 LYS H . . 4.760 4.312 3.777 4.508 . 0 0 "[ . 1 . 2]" 1
1549 1 105 LYS H 1 105 LYS QB . . 3.140 2.276 2.063 2.493 . 0 0 "[ . 1 . 2]" 1
1550 1 105 LYS H 1 105 LYS QD . . 4.640 2.735 1.873 3.684 . 0 0 "[ . 1 . 2]" 1
1551 1 105 LYS H 1 105 LYS HG2 . . 4.420 3.671 2.668 4.538 0.118 17 0 "[ . 1 . 2]" 1
1552 1 105 LYS H 1 105 LYS QG . . 3.790 3.270 2.633 3.797 0.007 15 0 "[ . 1 . 2]" 1
1553 1 105 LYS H 1 105 LYS HG3 . . 4.420 3.966 3.599 4.098 . 0 0 "[ . 1 . 2]" 1
1554 1 105 LYS H 1 107 ILE MD . . 4.480 3.745 3.289 4.096 . 0 0 "[ . 1 . 2]" 1
1555 1 105 LYS HA 1 105 LYS QD . . 4.580 3.758 2.867 4.455 . 0 0 "[ . 1 . 2]" 1
1556 1 105 LYS HA 1 106 PRO HA . . 3.390 2.466 2.414 2.502 . 0 0 "[ . 1 . 2]" 1
1557 1 105 LYS HA 1 106 PRO QB . . 4.650 4.010 3.977 4.034 . 0 0 "[ . 1 . 2]" 1
1558 1 105 LYS HA 1 107 ILE MD . . 3.770 2.392 1.980 2.815 . 0 0 "[ . 1 . 2]" 1
1559 1 105 LYS HA 1 107 ILE QG . . 4.200 2.804 2.296 3.181 . 0 0 "[ . 1 . 2]" 1
1560 1 105 LYS QB 1 105 LYS QD . . 3.030 2.234 1.978 2.516 . 0 0 "[ . 1 . 2]" 1
1561 1 105 LYS QB 1 105 LYS QE . . 4.510 3.197 2.095 3.793 . 0 0 "[ . 1 . 2]" 1
1562 1 105 LYS QB 1 106 PRO HA . . 3.280 1.974 1.848 2.324 . 0 0 "[ . 1 . 2]" 1
1563 1 105 LYS HB2 1 106 PRO HA . . 3.910 2.318 1.855 3.639 . 0 0 "[ . 1 . 2]" 1
1564 1 105 LYS HB3 1 106 PRO HA . . 3.910 3.204 2.215 3.533 . 0 0 "[ . 1 . 2]" 1
1565 1 105 LYS QE 1 105 LYS QG . . 3.160 2.217 2.002 2.460 . 0 0 "[ . 1 . 2]" 1
1566 1 105 LYS HE2 1 105 LYS HG2 . . 4.150 3.154 2.087 3.734 . 0 0 "[ . 1 . 2]" 1
1567 1 105 LYS HE2 1 105 LYS HG3 . . 4.150 2.947 2.115 4.196 0.046 13 0 "[ . 1 . 2]" 1
1568 1 105 LYS HE3 1 105 LYS HG2 . . 4.150 3.315 2.108 4.210 0.060 10 0 "[ . 1 . 2]" 1
1569 1 105 LYS HE3 1 105 LYS HG3 . . 4.150 3.374 2.302 3.769 . 0 0 "[ . 1 . 2]" 1
1570 1 105 LYS QG 1 106 PRO HA . . 3.590 2.536 1.919 3.074 . 0 0 "[ . 1 . 2]" 1
1571 1 105 LYS QG 1 106 PRO QB . . 4.460 3.575 3.318 3.958 . 0 0 "[ . 1 . 2]" 1
1572 1 105 LYS QG 1 106 PRO QD . . 4.280 3.443 2.883 4.608 0.328 17 0 "[ . 1 . 2]" 1
1573 1 105 LYS HG2 1 106 PRO HA . . 4.220 2.977 1.946 3.904 . 0 0 "[ . 1 . 2]" 1
1574 1 105 LYS HG3 1 106 PRO HA . . 4.220 3.120 1.973 3.929 . 0 0 "[ . 1 . 2]" 1
1575 1 106 PRO HA 1 107 ILE H . . 2.850 2.457 2.337 2.493 . 0 0 "[ . 1 . 2]" 1
1576 1 106 PRO HA 1 107 ILE HB . . 4.860 4.812 4.614 4.874 0.014 3 0 "[ . 1 . 2]" 1
1577 1 106 PRO HA 1 107 ILE MD . . 4.470 3.974 3.641 4.483 0.013 13 0 "[ . 1 . 2]" 1
1578 1 106 PRO QB 1 107 ILE H . . 3.080 2.419 2.342 2.685 . 0 0 "[ . 1 . 2]" 1
1579 1 106 PRO HB2 1 107 ILE H . . 3.600 2.478 2.391 2.781 . 0 0 "[ . 1 . 2]" 1
1580 1 106 PRO HB3 1 107 ILE H . . 3.600 3.388 3.345 3.542 . 0 0 "[ . 1 . 2]" 1
1581 1 106 PRO QG 1 107 ILE H . . 4.700 4.070 4.008 4.276 . 0 0 "[ . 1 . 2]" 1
1582 1 106 PRO HG2 1 107 ILE H . . 5.500 4.315 4.245 4.544 . 0 0 "[ . 1 . 2]" 1
1583 1 106 PRO HG3 1 107 ILE H . . 5.500 4.987 4.922 5.208 . 0 0 "[ . 1 . 2]" 1
1584 1 107 ILE H 1 107 ILE HB . . 3.050 2.676 2.557 2.718 . 0 0 "[ . 1 . 2]" 1
1585 1 107 ILE H 1 107 ILE MD . . 3.920 3.546 3.334 3.808 . 0 0 "[ . 1 . 2]" 1
1586 1 107 ILE H 1 107 ILE HG12 . . 3.960 2.573 2.497 2.780 . 0 0 "[ . 1 . 2]" 1
1587 1 107 ILE H 1 107 ILE QG . . 3.180 2.542 2.470 2.734 . 0 0 "[ . 1 . 2]" 1
1588 1 107 ILE H 1 107 ILE HG13 . . 3.960 3.971 3.918 4.037 0.077 13 0 "[ . 1 . 2]" 1
1589 1 107 ILE H 1 107 ILE MG . . 4.260 3.864 3.815 3.883 . 0 0 "[ . 1 . 2]" 1
1590 1 107 ILE HA 1 107 ILE MD . . 3.460 2.027 1.966 2.104 . 0 0 "[ . 1 . 2]" 1
1591 1 107 ILE HA 1 107 ILE HG12 . . 4.080 3.119 2.937 3.228 . 0 0 "[ . 1 . 2]" 1
1592 1 107 ILE HA 1 107 ILE QG . . 3.530 2.978 2.834 3.053 . 0 0 "[ . 1 . 2]" 1
1593 1 107 ILE HA 1 107 ILE HG13 . . 4.080 3.774 3.728 3.794 . 0 0 "[ . 1 . 2]" 1
1594 1 107 ILE HA 1 107 ILE MG . . 3.160 2.331 2.277 2.373 . 0 0 "[ . 1 . 2]" 1
1595 1 107 ILE HA 1 108 ASP H . . 2.570 2.219 2.188 2.274 . 0 0 "[ . 1 . 2]" 1
1596 1 107 ILE HA 1 108 ASP HA . . 4.600 4.353 4.331 4.370 . 0 0 "[ . 1 . 2]" 1
1597 1 107 ILE HA 1 108 ASP HB2 . . 4.350 4.180 4.146 4.218 . 0 0 "[ . 1 . 2]" 1
1598 1 107 ILE HA 1 108 ASP HB3 . . 5.500 5.520 5.468 5.577 0.077 2 0 "[ . 1 . 2]" 1
1599 1 107 ILE HB 1 107 ILE MD . . 3.440 3.227 3.215 3.230 . 0 0 "[ . 1 . 2]" 1
1600 1 107 ILE HB 1 108 ASP H . . 4.030 3.884 3.723 4.062 0.032 13 0 "[ . 1 . 2]" 1
1601 1 107 ILE MD 1 111 VAL HB . . 5.180 4.756 4.442 4.980 . 0 0 "[ . 1 . 2]" 1
1602 1 107 ILE QG 1 107 ILE MG . . 2.910 2.321 2.269 2.346 . 0 0 "[ . 1 . 2]" 1
1603 1 107 ILE QG 1 108 ASP H . . 5.120 4.562 4.500 4.634 . 0 0 "[ . 1 . 2]" 1
1604 1 107 ILE QG 1 112 LEU HB2 . . 5.000 4.681 4.300 5.005 0.005 17 0 "[ . 1 . 2]" 1
1605 1 107 ILE HG12 1 107 ILE MG . . 3.390 3.200 3.189 3.202 . 0 0 "[ . 1 . 2]" 1
1606 1 107 ILE HG13 1 107 ILE MG . . 3.390 2.382 2.321 2.412 . 0 0 "[ . 1 . 2]" 1
1607 1 107 ILE MG 1 108 ASP H . . 3.160 2.249 2.083 2.373 . 0 0 "[ . 1 . 2]" 1
1608 1 107 ILE MG 1 108 ASP HA . . 4.790 3.924 3.839 4.001 . 0 0 "[ . 1 . 2]" 1
1609 1 107 ILE MG 1 109 PRO HD2 . . 5.500 5.466 5.381 5.508 0.008 17 0 "[ . 1 . 2]" 1
1610 1 107 ILE MG 1 109 PRO HD3 . . 5.500 5.338 5.093 5.508 0.008 5 0 "[ . 1 . 2]" 1
1611 1 107 ILE MG 1 110 GLY H . . 5.500 5.487 5.399 5.543 0.043 17 0 "[ . 1 . 2]" 1
1612 1 107 ILE MG 1 111 VAL H . . 4.550 4.354 4.131 4.560 0.010 3 0 "[ . 1 . 2]" 1
1613 1 107 ILE MG 1 111 VAL HB . . 4.140 2.988 2.627 3.320 . 0 0 "[ . 1 . 2]" 1
1614 1 107 ILE MG 1 112 LEU H . . 3.160 3.036 2.668 3.175 0.015 15 0 "[ . 1 . 2]" 1
1615 1 107 ILE MG 1 112 LEU HA . . 3.430 3.227 2.821 3.448 0.018 13 0 "[ . 1 . 2]" 1
1616 1 107 ILE MG 1 112 LEU HB2 . . 3.350 2.211 1.916 2.521 . 0 0 "[ . 1 . 2]" 1
1617 1 108 ASP H 1 108 ASP HB2 . . 3.080 2.167 2.089 2.242 . 0 0 "[ . 1 . 2]" 1
1618 1 108 ASP H 1 108 ASP HB3 . . 3.520 3.354 3.283 3.397 . 0 0 "[ . 1 . 2]" 1
1619 1 108 ASP H 1 109 PRO HD2 . . 5.190 4.776 4.758 4.799 . 0 0 "[ . 1 . 2]" 1
1620 1 108 ASP H 1 109 PRO HD3 . . 5.190 5.074 5.047 5.088 . 0 0 "[ . 1 . 2]" 1
1621 1 108 ASP H 1 111 VAL H . . 4.440 4.299 4.142 4.449 0.009 13 0 "[ . 1 . 2]" 1
1622 1 108 ASP H 1 111 VAL HB . . 3.710 3.073 2.813 3.224 . 0 0 "[ . 1 . 2]" 1
1623 1 108 ASP H 1 111 VAL MG1 . . 4.480 4.119 3.889 4.311 . 0 0 "[ . 1 . 2]" 1
1624 1 108 ASP H 1 111 VAL QG . . 3.700 3.339 3.199 3.539 . 0 0 "[ . 1 . 2]" 1
1625 1 108 ASP H 1 111 VAL MG2 . . 4.480 3.534 3.356 3.761 . 0 0 "[ . 1 . 2]" 1
1626 1 108 ASP H 1 112 LEU H . . 4.230 4.211 3.986 4.248 0.018 18 0 "[ . 1 . 2]" 1
1627 1 108 ASP H 1 112 LEU HB2 . . 4.740 4.594 4.308 4.749 0.009 5 0 "[ . 1 . 2]" 1
1628 1 108 ASP HA 1 109 PRO HB2 . . 5.500 5.608 5.575 5.626 0.126 14 0 "[ . 1 . 2]" 1
1629 1 108 ASP HA 1 109 PRO HB3 . . 5.000 4.854 4.840 4.862 . 0 0 "[ . 1 . 2]" 1
1630 1 108 ASP HA 1 109 PRO HD2 . . 3.160 2.449 2.376 2.489 . 0 0 "[ . 1 . 2]" 1
1631 1 108 ASP HA 1 109 PRO QD . . 2.760 2.118 2.076 2.142 . 0 0 "[ . 1 . 2]" 1
1632 1 108 ASP HA 1 109 PRO HD3 . . 3.160 2.318 2.289 2.336 . 0 0 "[ . 1 . 2]" 1
1633 1 108 ASP HA 1 109 PRO HG2 . . 4.550 4.552 4.492 4.584 0.034 14 0 "[ . 1 . 2]" 1
1634 1 108 ASP HA 1 109 PRO HG3 . . 4.530 4.501 4.456 4.526 . 0 0 "[ . 1 . 2]" 1
1635 1 108 ASP HA 1 110 GLY H . . 4.420 4.255 4.167 4.328 . 0 0 "[ . 1 . 2]" 1
1636 1 108 ASP HA 1 111 VAL H . . 4.910 4.732 4.624 4.812 . 0 0 "[ . 1 . 2]" 1
1637 1 108 ASP HB2 1 109 PRO HD2 . . 4.960 3.742 3.685 3.850 . 0 0 "[ . 1 . 2]" 1
1638 1 108 ASP HB2 1 109 PRO QD . . 4.370 3.612 3.562 3.705 . 0 0 "[ . 1 . 2]" 1
1639 1 108 ASP HB2 1 109 PRO HD3 . . 4.960 4.759 4.721 4.822 . 0 0 "[ . 1 . 2]" 1
1640 1 108 ASP HB2 1 110 GLY H . . 4.430 4.261 4.162 4.437 0.007 5 0 "[ . 1 . 2]" 1
1641 1 108 ASP HB2 1 111 VAL H . . 3.550 3.421 3.239 3.527 . 0 0 "[ . 1 . 2]" 1
1642 1 108 ASP HB2 1 111 VAL HA . . 5.500 5.431 5.069 5.502 0.002 17 0 "[ . 1 . 2]" 1
1643 1 108 ASP HB2 1 111 VAL HB . . 3.770 3.159 2.771 3.281 . 0 0 "[ . 1 . 2]" 1
1644 1 108 ASP HB2 1 111 VAL QG . . 3.270 2.410 2.120 2.688 . 0 0 "[ . 1 . 2]" 1
1645 1 108 ASP HB2 1 112 LEU H . . 4.670 4.618 4.489 4.682 0.012 20 0 "[ . 1 . 2]" 1
1646 1 108 ASP HB3 1 109 PRO HA . . 4.830 4.720 4.700 4.760 . 0 0 "[ . 1 . 2]" 1
1647 1 108 ASP HB3 1 109 PRO HD2 . . 4.630 2.412 2.310 2.643 . 0 0 "[ . 1 . 2]" 1
1648 1 108 ASP HB3 1 109 PRO QD . . 4.050 2.386 2.288 2.606 . 0 0 "[ . 1 . 2]" 1
1649 1 108 ASP HB3 1 109 PRO HD3 . . 4.630 3.779 3.698 3.961 . 0 0 "[ . 1 . 2]" 1
1650 1 108 ASP HB3 1 110 GLY H . . 4.620 2.562 2.484 2.694 . 0 0 "[ . 1 . 2]" 1
1651 1 108 ASP HB3 1 111 VAL H . . 3.810 2.554 2.377 2.717 . 0 0 "[ . 1 . 2]" 1
1652 1 108 ASP HB3 1 111 VAL HB . . 3.840 3.628 3.287 3.834 . 0 0 "[ . 1 . 2]" 1
1653 1 108 ASP HB3 1 111 VAL QG . . 3.470 2.722 2.268 3.093 . 0 0 "[ . 1 . 2]" 1
1654 1 108 ASP HB3 1 112 LEU H . . 4.420 4.238 4.058 4.415 . 0 0 "[ . 1 . 2]" 1
1655 1 109 PRO HA 1 112 LEU H . . 4.080 3.792 3.608 3.997 . 0 0 "[ . 1 . 2]" 1
1656 1 109 PRO HA 1 112 LEU HB3 . . 3.850 2.976 2.610 3.151 . 0 0 "[ . 1 . 2]" 1
1657 1 109 PRO HA 1 112 LEU QD . . 3.770 3.495 2.919 3.773 0.003 16 0 "[ . 1 . 2]" 1
1658 1 109 PRO HB2 1 110 GLY H . . 3.340 3.281 3.194 3.363 0.023 17 0 "[ . 1 . 2]" 1
1659 1 109 PRO HB2 1 112 LEU QD . . 5.440 5.344 4.958 5.445 0.005 14 0 "[ . 1 . 2]" 1
1660 1 109 PRO HB3 1 110 GLY H . . 4.300 4.112 4.061 4.159 . 0 0 "[ . 1 . 2]" 1
1661 1 109 PRO HB3 1 112 LEU QD . . 5.430 4.945 4.330 5.277 . 0 0 "[ . 1 . 2]" 1
1662 1 109 PRO QD 1 110 GLY H . . 3.740 2.606 2.604 2.613 . 0 0 "[ . 1 . 2]" 1
1663 1 109 PRO HD2 1 110 GLY H . . 4.270 2.651 2.648 2.659 . 0 0 "[ . 1 . 2]" 1
1664 1 109 PRO HD3 1 110 GLY H . . 4.270 3.839 3.838 3.841 . 0 0 "[ . 1 . 2]" 1
1665 1 109 PRO HG2 1 110 GLY H . . 3.330 2.304 2.203 2.403 . 0 0 "[ . 1 . 2]" 1
1666 1 109 PRO HG3 1 110 GLY H . . 3.980 3.834 3.759 3.907 . 0 0 "[ . 1 . 2]" 1
1667 1 110 GLY H 1 110 GLY HA3 . . 2.640 2.306 2.302 2.319 . 0 0 "[ . 1 . 2]" 1
1668 1 110 GLY H 1 111 VAL H . . 2.910 2.548 2.439 2.579 . 0 0 "[ . 1 . 2]" 1
1669 1 110 GLY H 1 111 VAL HA . . 5.190 5.187 5.091 5.214 0.023 20 0 "[ . 1 . 2]" 1
1670 1 110 GLY H 1 111 VAL QG . . 4.030 3.939 3.632 4.031 0.001 6 0 "[ . 1 . 2]" 1
1671 1 110 GLY H 1 112 LEU H . . 4.310 4.144 3.905 4.334 0.024 13 0 "[ . 1 . 2]" 1
1672 1 110 GLY HA2 1 113 VAL H . . 4.300 3.947 3.539 4.301 0.001 10 0 "[ . 1 . 2]" 1
1673 1 110 GLY HA2 1 113 VAL HB . . 4.120 3.259 2.918 3.511 . 0 0 "[ . 1 . 2]" 1
1674 1 110 GLY HA2 1 113 VAL QG . . 3.920 3.430 3.103 3.705 . 0 0 "[ . 1 . 2]" 1
1675 1 110 GLY HA3 1 111 VAL H . . 3.220 2.871 2.787 2.916 . 0 0 "[ . 1 . 2]" 1
1676 1 110 GLY HA3 1 111 VAL QG . . 3.900 3.793 3.671 3.869 . 0 0 "[ . 1 . 2]" 1
1677 1 111 VAL H 1 111 VAL HB . . 2.840 2.524 2.497 2.596 . 0 0 "[ . 1 . 2]" 1
1678 1 111 VAL H 1 111 VAL MG1 . . 3.930 3.772 3.765 3.787 . 0 0 "[ . 1 . 2]" 1
1679 1 111 VAL H 1 111 VAL QG . . 2.680 2.238 2.043 2.396 . 0 0 "[ . 1 . 2]" 1
1680 1 111 VAL H 1 111 VAL MG2 . . 3.930 2.256 2.052 2.424 . 0 0 "[ . 1 . 2]" 1
1681 1 111 VAL H 1 112 LEU H . . 2.910 2.537 2.364 2.718 . 0 0 "[ . 1 . 2]" 1
1682 1 111 VAL H 1 112 LEU HB2 . . 4.980 4.830 4.559 4.991 0.011 3 0 "[ . 1 . 2]" 1
1683 1 111 VAL H 1 112 LEU HB3 . . 4.880 4.724 4.489 4.880 . 0 0 "[ . 1 . 2]" 1
1684 1 111 VAL HA 1 111 VAL MG1 . . 3.080 2.319 2.250 2.378 . 0 0 "[ . 1 . 2]" 1
1685 1 111 VAL HA 1 111 VAL QG . . 2.670 2.078 2.049 2.108 . 0 0 "[ . 1 . 2]" 1
1686 1 111 VAL HA 1 111 VAL MG2 . . 3.080 2.351 2.284 2.424 . 0 0 "[ . 1 . 2]" 1
1687 1 111 VAL HA 1 114 GLU H . . 3.720 3.498 3.196 3.718 . 0 0 "[ . 1 . 2]" 1
1688 1 111 VAL HA 1 114 GLU QB . . 3.540 2.600 2.222 3.569 0.029 19 0 "[ . 1 . 2]" 1
1689 1 111 VAL HA 1 114 GLU HG2 . . 4.550 3.962 1.986 4.561 0.011 3 0 "[ . 1 . 2]" 1
1690 1 111 VAL HA 1 114 GLU QG . . 3.920 3.238 1.923 3.774 . 0 0 "[ . 1 . 2]" 1
1691 1 111 VAL HA 1 114 GLU HG3 . . 4.550 3.503 2.204 4.026 . 0 0 "[ . 1 . 2]" 1
1692 1 111 VAL HA 1 115 LEU H . . 4.780 4.069 3.789 4.399 . 0 0 "[ . 1 . 2]" 1
1693 1 111 VAL HB 1 112 LEU H . . 3.170 2.552 2.356 2.852 . 0 0 "[ . 1 . 2]" 1
1694 1 111 VAL QG 1 112 LEU H . . 3.740 3.207 3.079 3.373 . 0 0 "[ . 1 . 2]" 1
1695 1 111 VAL QG 1 114 GLU QG . . 4.610 3.945 2.701 4.400 . 0 0 "[ . 1 . 2]" 1
1696 1 111 VAL QG 1 115 LEU H . . 3.930 3.826 3.597 3.939 0.009 19 0 "[ . 1 . 2]" 1
1697 1 112 LEU H 1 112 LEU HB2 . . 3.030 2.461 2.294 2.645 . 0 0 "[ . 1 . 2]" 1
1698 1 112 LEU H 1 112 LEU HB3 . . 2.930 2.557 2.417 2.737 . 0 0 "[ . 1 . 2]" 1
1699 1 112 LEU H 1 113 VAL HA . . 5.500 5.370 5.139 5.495 . 0 0 "[ . 1 . 2]" 1
1700 1 112 LEU HA 1 112 LEU QD . . 2.950 2.449 1.936 2.981 0.031 17 0 "[ . 1 . 2]" 1
1701 1 112 LEU HA 1 115 LEU H . . 3.740 3.594 3.328 3.783 0.043 15 0 "[ . 1 . 2]" 1
1702 1 112 LEU HA 1 115 LEU QB . . 3.910 2.881 2.519 3.678 . 0 0 "[ . 1 . 2]" 1
1703 1 112 LEU HA 1 115 LEU QD . . 3.240 2.623 1.880 3.249 0.009 13 0 "[ . 1 . 2]" 1
1704 1 112 LEU HA 1 116 VAL H . . 4.790 4.540 4.087 4.801 0.011 20 0 "[ . 1 . 2]" 1
1705 1 112 LEU HB2 1 113 VAL H . . 3.990 3.764 3.530 3.981 . 0 0 "[ . 1 . 2]" 1
1706 1 112 LEU HB3 1 113 VAL H . . 3.320 2.425 2.129 2.761 . 0 0 "[ . 1 . 2]" 1
1707 1 112 LEU HB3 1 113 VAL HA . . 4.430 4.224 4.010 4.424 . 0 0 "[ . 1 . 2]" 1
1708 1 112 LEU QD 1 113 VAL H . . 3.860 3.309 2.567 3.864 0.004 13 0 "[ . 1 . 2]" 1
1709 1 113 VAL H 1 113 VAL HB . . 2.820 2.529 2.465 2.600 . 0 0 "[ . 1 . 2]" 1
1710 1 113 VAL H 1 113 VAL MG1 . . 3.800 3.765 3.763 3.771 . 0 0 "[ . 1 . 2]" 1
1711 1 113 VAL H 1 113 VAL QG . . 2.650 2.206 1.948 2.387 . 0 0 "[ . 1 . 2]" 1
1712 1 113 VAL H 1 113 VAL MG2 . . 3.800 2.222 1.954 2.414 . 0 0 "[ . 1 . 2]" 1
1713 1 113 VAL H 1 114 GLU H . . 2.880 2.632 2.388 2.795 . 0 0 "[ . 1 . 2]" 1
1714 1 113 VAL H 1 114 GLU QG . . 5.010 4.663 4.040 5.002 . 0 0 "[ . 1 . 2]" 1
1715 1 113 VAL H 1 115 LEU H . . 4.340 4.131 3.794 4.269 . 0 0 "[ . 1 . 2]" 1
1716 1 113 VAL HA 1 113 VAL MG1 . . 3.220 2.335 2.307 2.389 . 0 0 "[ . 1 . 2]" 1
1717 1 113 VAL HA 1 113 VAL QG . . 2.790 2.099 2.081 2.132 . 0 0 "[ . 1 . 2]" 1
1718 1 113 VAL HA 1 113 VAL MG2 . . 3.220 2.380 2.355 2.433 . 0 0 "[ . 1 . 2]" 1
1719 1 113 VAL HA 1 115 LEU H . . 4.510 4.339 4.167 4.516 0.006 13 0 "[ . 1 . 2]" 1
1720 1 113 VAL HA 1 116 VAL H . . 4.260 3.512 3.328 3.678 . 0 0 "[ . 1 . 2]" 1
1721 1 113 VAL HA 1 116 VAL HB . . 4.550 3.738 2.976 4.494 . 0 0 "[ . 1 . 2]" 1
1722 1 113 VAL HA 1 116 VAL QG . . 3.540 2.392 1.886 3.142 . 0 0 "[ . 1 . 2]" 1
1723 1 113 VAL HB 1 114 GLU H . . 3.610 2.704 2.364 2.933 . 0 0 "[ . 1 . 2]" 1
1724 1 113 VAL QG 1 114 GLU HA . . 3.950 3.491 3.309 3.601 . 0 0 "[ . 1 . 2]" 1
1725 1 113 VAL QG 1 114 GLU QG . . 5.280 3.844 3.556 4.654 . 0 0 "[ . 1 . 2]" 1
1726 1 113 VAL QG 1 116 VAL H . . 4.830 4.272 4.071 4.373 . 0 0 "[ . 1 . 2]" 1
1727 1 113 VAL MG1 1 114 GLU H . . 4.040 3.521 3.208 3.682 . 0 0 "[ . 1 . 2]" 1
1728 1 113 VAL MG2 1 114 GLU H . . 4.040 3.882 3.768 3.969 . 0 0 "[ . 1 . 2]" 1
1729 1 114 GLU H 1 114 GLU QB . . 2.580 2.247 2.149 2.372 . 0 0 "[ . 1 . 2]" 1
1730 1 114 GLU H 1 114 GLU HG2 . . 4.040 3.099 2.501 4.047 0.007 3 0 "[ . 1 . 2]" 1
1731 1 114 GLU H 1 114 GLU QG . . 3.200 2.674 2.406 2.947 . 0 0 "[ . 1 . 2]" 1
1732 1 114 GLU H 1 114 GLU HG3 . . 4.040 3.429 2.461 3.999 . 0 0 "[ . 1 . 2]" 1
1733 1 114 GLU H 1 115 LEU H . . 2.960 2.604 2.498 2.770 . 0 0 "[ . 1 . 2]" 1
1734 1 114 GLU H 1 115 LEU QD . . 5.110 4.701 3.768 5.108 . 0 0 "[ . 1 . 2]" 1
1735 1 114 GLU H 1 116 VAL H . . 4.320 4.103 3.947 4.244 . 0 0 "[ . 1 . 2]" 1
1736 1 114 GLU H 1 117 ALA MB . . 4.820 4.341 4.168 4.526 . 0 0 "[ . 1 . 2]" 1
1737 1 114 GLU HA 1 114 GLU QG . . 3.550 2.654 2.321 3.437 . 0 0 "[ . 1 . 2]" 1
1738 1 114 GLU HA 1 117 ALA H . . 3.940 3.304 3.160 3.446 . 0 0 "[ . 1 . 2]" 1
1739 1 114 GLU HA 1 117 ALA MB . . 3.320 2.253 2.075 2.528 . 0 0 "[ . 1 . 2]" 1
1740 1 114 GLU QB 1 115 LEU H . . 3.630 2.805 2.549 3.507 . 0 0 "[ . 1 . 2]" 1
1741 1 114 GLU QG 1 115 LEU H . . 4.720 3.993 2.019 4.400 . 0 0 "[ . 1 . 2]" 1
1742 1 115 LEU H 1 115 LEU HA . . 2.940 2.818 2.756 2.849 . 0 0 "[ . 1 . 2]" 1
1743 1 115 LEU H 1 115 LEU QB . . 2.600 2.229 2.127 2.365 . 0 0 "[ . 1 . 2]" 1
1744 1 115 LEU H 1 115 LEU MD1 . . 4.190 3.667 2.474 4.028 . 0 0 "[ . 1 . 2]" 1
1745 1 115 LEU H 1 115 LEU QD . . 3.380 3.118 2.124 3.379 . 0 0 "[ . 1 . 2]" 1
1746 1 115 LEU H 1 115 LEU MD2 . . 4.190 3.566 2.134 4.193 0.003 4 0 "[ . 1 . 2]" 1
1747 1 115 LEU H 1 115 LEU HG . . 3.790 2.894 2.433 3.853 0.063 13 0 "[ . 1 . 2]" 1
1748 1 115 LEU H 1 116 VAL H . . 2.970 2.625 2.518 2.830 . 0 0 "[ . 1 . 2]" 1
1749 1 115 LEU H 1 117 ALA H . . 4.100 3.971 3.877 4.049 . 0 0 "[ . 1 . 2]" 1
1750 1 115 LEU H 1 118 THR H . . 5.430 5.212 4.967 5.378 . 0 0 "[ . 1 . 2]" 1
1751 1 115 LEU HA 1 115 LEU QD . . 3.220 2.240 1.906 3.271 0.051 15 0 "[ . 1 . 2]" 1
1752 1 115 LEU HA 1 116 VAL H . . 3.540 3.516 3.503 3.539 . 0 0 "[ . 1 . 2]" 1
1753 1 115 LEU QB 1 115 LEU QD . . 2.750 1.909 1.775 2.070 . 0 0 "[ . 1 . 2]" 1
1754 1 115 LEU QB 1 116 VAL H . . 3.610 2.782 2.626 3.455 . 0 0 "[ . 1 . 2]" 1
1755 1 115 LEU QD 1 116 VAL H . . 4.260 4.010 2.830 4.215 . 0 0 "[ . 1 . 2]" 1
1756 1 115 LEU QD 1 116 VAL HA . . 5.440 4.741 2.579 5.138 . 0 0 "[ . 1 . 2]" 1
1757 1 115 LEU MD1 1 116 VAL H . . 4.850 4.479 2.928 4.741 . 0 0 "[ . 1 . 2]" 1
1758 1 115 LEU MD2 1 116 VAL H . . 4.850 4.570 3.747 4.829 . 0 0 "[ . 1 . 2]" 1
1759 1 116 VAL H 1 116 VAL HB . . 2.780 2.665 2.579 2.728 . 0 0 "[ . 1 . 2]" 1
1760 1 116 VAL H 1 116 VAL MG1 . . 3.830 2.766 1.916 3.796 . 0 0 "[ . 1 . 2]" 1
1761 1 116 VAL H 1 116 VAL QG . . 2.720 2.093 1.910 2.341 . 0 0 "[ . 1 . 2]" 1
1762 1 116 VAL H 1 116 VAL MG2 . . 3.830 3.131 2.295 3.794 . 0 0 "[ . 1 . 2]" 1
1763 1 116 VAL H 1 117 ALA H . . 2.920 2.354 2.340 2.377 . 0 0 "[ . 1 . 2]" 1
1764 1 116 VAL H 1 117 ALA MB . . 4.190 4.004 3.906 4.060 . 0 0 "[ . 1 . 2]" 1
1765 1 116 VAL HA 1 116 VAL MG1 . . 3.270 2.771 2.201 3.204 . 0 0 "[ . 1 . 2]" 1
1766 1 116 VAL HA 1 116 VAL MG2 . . 3.270 2.332 2.229 2.415 . 0 0 "[ . 1 . 2]" 1
1767 1 116 VAL HA 1 118 THR H . . 4.670 4.547 4.396 4.612 . 0 0 "[ . 1 . 2]" 1
1768 1 116 VAL HA 1 119 LEU H . . 3.790 3.409 3.375 3.556 . 0 0 "[ . 1 . 2]" 1
1769 1 116 VAL HA 1 119 LEU QB . . 4.610 3.100 2.919 3.297 . 0 0 "[ . 1 . 2]" 1
1770 1 116 VAL HA 1 119 LEU MD1 . . 3.770 2.150 1.967 2.666 . 0 0 "[ . 1 . 2]" 1
1771 1 116 VAL HA 1 119 LEU HG . . 3.420 2.647 2.213 3.138 . 0 0 "[ . 1 . 2]" 1
1772 1 116 VAL HA 1 120 SER H . . 4.460 4.242 4.128 4.444 . 0 0 "[ . 1 . 2]" 1
1773 1 116 VAL HB 1 117 ALA H . . 4.140 3.430 2.729 3.994 . 0 0 "[ . 1 . 2]" 1
1774 1 116 VAL QG 1 117 ALA H . . 3.390 2.688 2.133 3.368 . 0 0 "[ . 1 . 2]" 1
1775 1 116 VAL QG 1 117 ALA HA . . 4.310 3.322 2.936 3.826 . 0 0 "[ . 1 . 2]" 1
1776 1 116 VAL QG 1 119 LEU H . . 4.420 3.973 3.879 4.114 . 0 0 "[ . 1 . 2]" 1
1777 1 116 VAL QG 1 120 SER H . . 4.460 3.468 3.289 3.665 . 0 0 "[ . 1 . 2]" 1
1778 1 116 VAL QG 1 120 SER QB . . 4.260 3.038 2.742 3.840 . 0 0 "[ . 1 . 2]" 1
1779 1 116 VAL MG1 1 117 ALA H . . 3.890 2.874 2.146 3.776 . 0 0 "[ . 1 . 2]" 1
1780 1 116 VAL MG2 1 117 ALA H . . 3.890 3.732 3.659 3.813 . 0 0 "[ . 1 . 2]" 1
1781 1 117 ALA H 1 117 ALA HA . . 2.940 2.760 2.751 2.805 . 0 0 "[ . 1 . 2]" 1
1782 1 117 ALA H 1 117 ALA MB . . 2.600 2.189 2.043 2.234 . 0 0 "[ . 1 . 2]" 1
1783 1 117 ALA H 1 118 THR MG . . 4.170 3.936 3.756 4.039 . 0 0 "[ . 1 . 2]" 1
1784 1 117 ALA HA 1 119 LEU H . . 4.210 4.128 4.039 4.184 . 0 0 "[ . 1 . 2]" 1
1785 1 117 ALA HA 1 120 SER H . . 3.460 3.266 3.122 3.387 . 0 0 "[ . 1 . 2]" 1
1786 1 117 ALA MB 1 118 THR H . . 3.120 2.357 2.248 2.466 . 0 0 "[ . 1 . 2]" 1
1787 1 117 ALA MB 1 118 THR HA . . 4.400 3.731 3.625 3.768 . 0 0 "[ . 1 . 2]" 1
1788 1 117 ALA MB 1 118 THR HB . . 4.490 4.088 3.947 4.195 . 0 0 "[ . 1 . 2]" 1
1789 1 117 ALA MB 1 120 SER H . . 4.560 4.441 4.341 4.563 0.003 15 0 "[ . 1 . 2]" 1
1790 1 117 ALA MB 1 120 SER QB . . 4.780 4.230 3.713 4.771 . 0 0 "[ . 1 . 2]" 1
1791 1 118 THR H 1 118 THR HB . . 3.190 2.525 2.466 2.653 . 0 0 "[ . 1 . 2]" 1
1792 1 118 THR H 1 118 THR MG . . 3.170 2.198 1.958 2.328 . 0 0 "[ . 1 . 2]" 1
1793 1 118 THR H 1 119 LEU H . . 2.900 2.791 2.781 2.797 . 0 0 "[ . 1 . 2]" 1
1794 1 118 THR H 1 119 LEU MD2 . . 5.000 4.768 4.438 4.856 . 0 0 "[ . 1 . 2]" 1
1795 1 118 THR H 1 119 LEU HG . . 4.510 4.110 4.024 4.332 . 0 0 "[ . 1 . 2]" 1
1796 1 118 THR H 1 120 SER H . . 4.420 4.260 4.143 4.421 0.001 3 0 "[ . 1 . 2]" 1
1797 1 118 THR HA 1 118 THR MG . . 3.280 3.196 3.194 3.201 . 0 0 "[ . 1 . 2]" 1
1798 1 118 THR HA 1 119 LEU MD2 . . 4.950 4.867 4.657 4.955 0.005 1 0 "[ . 1 . 2]" 1
1799 1 118 THR HA 1 121 GLU H . . 4.000 3.824 3.667 4.005 0.005 13 0 "[ . 1 . 2]" 1
1800 1 118 THR HA 1 121 GLU QG . . 4.370 2.953 2.140 4.372 0.002 14 0 "[ . 1 . 2]" 1
1801 1 118 THR HB 1 119 LEU H . . 4.100 3.997 3.975 4.077 . 0 0 "[ . 1 . 2]" 1
1802 1 118 THR HB 1 119 LEU MD2 . . 4.610 4.585 4.399 4.614 0.004 14 0 "[ . 1 . 2]" 1
1803 1 118 THR HB 1 119 LEU HG . . 5.210 4.953 4.790 5.205 . 0 0 "[ . 1 . 2]" 1
1804 1 118 THR MG 1 119 LEU H . . 3.920 1.955 1.916 2.112 . 0 0 "[ . 1 . 2]" 1
1805 1 118 THR MG 1 121 GLU H . . 5.230 5.143 4.978 5.253 0.023 12 0 "[ . 1 . 2]" 1
1806 1 119 LEU H 1 119 LEU QB . . 3.600 2.619 2.520 2.679 . 0 0 "[ . 1 . 2]" 1
1807 1 119 LEU H 1 119 LEU MD1 . . 3.820 3.569 3.476 3.735 . 0 0 "[ . 1 . 2]" 1
1808 1 119 LEU H 1 119 LEU MD2 . . 3.100 2.987 2.668 3.107 0.007 13 0 "[ . 1 . 2]" 1
1809 1 119 LEU H 1 119 LEU HG . . 2.750 2.025 1.945 2.227 . 0 0 "[ . 1 . 2]" 1
1810 1 119 LEU HA 1 119 LEU MD1 . . 4.040 3.929 3.842 3.977 . 0 0 "[ . 1 . 2]" 1
1811 1 119 LEU HA 1 119 LEU MD2 . . 2.830 2.328 2.144 2.481 . 0 0 "[ . 1 . 2]" 1
1812 1 119 LEU QB 1 120 SER H . . 3.490 2.579 2.409 2.698 . 0 0 "[ . 1 . 2]" 1
1813 1 119 LEU HB2 1 119 LEU MD1 . . 3.250 2.297 2.196 2.407 . 0 0 "[ . 1 . 2]" 1
1814 1 119 LEU HB2 1 120 SER H . . 4.240 2.619 2.439 2.745 . 0 0 "[ . 1 . 2]" 1
1815 1 119 LEU HB3 1 119 LEU MD1 . . 3.250 2.353 2.214 2.427 . 0 0 "[ . 1 . 2]" 1
1816 1 119 LEU HB3 1 120 SER H . . 4.240 3.868 3.671 3.978 . 0 0 "[ . 1 . 2]" 1
1817 1 119 LEU MD1 1 120 SER H . . 5.000 4.382 4.193 4.603 . 0 0 "[ . 1 . 2]" 1
1818 1 119 LEU HG 1 120 SER H . . 4.580 3.911 3.716 4.112 . 0 0 "[ . 1 . 2]" 1
1819 1 120 SER H 1 120 SER QB . . 2.820 2.344 2.154 2.809 . 0 0 "[ . 1 . 2]" 1
1820 1 120 SER H 1 121 GLU QG . . 4.980 4.290 3.892 5.004 0.024 19 0 "[ . 1 . 2]" 1
1821 1 120 SER HA 1 121 GLU H . . 3.560 3.538 3.514 3.564 0.004 8 0 "[ . 1 . 2]" 1
1822 1 121 GLU H 1 121 GLU QB . . 2.890 2.732 2.191 3.081 0.191 19 0 "[ . 1 . 2]" 1
1823 1 121 GLU H 1 121 GLU QG . . 3.410 2.293 1.937 3.372 . 0 0 "[ . 1 . 2]" 1
1824 1 121 GLU H 1 122 PRO HD2 . . 5.310 4.786 4.689 4.813 . 0 0 "[ . 1 . 2]" 1
1825 1 121 GLU H 1 122 PRO QD . . 4.500 4.357 4.087 4.378 . 0 0 "[ . 1 . 2]" 1
1826 1 121 GLU H 1 122 PRO HD3 . . 5.310 5.017 4.500 5.095 . 0 0 "[ . 1 . 2]" 1
1827 1 121 GLU HA 1 121 GLU QG . . 3.740 3.162 2.151 3.402 . 0 0 "[ . 1 . 2]" 1
1828 1 121 GLU HA 1 122 PRO HD2 . . 3.210 2.429 2.398 2.510 . 0 0 "[ . 1 . 2]" 1
1829 1 121 GLU HA 1 122 PRO HD3 . . 3.210 2.310 2.296 2.346 . 0 0 "[ . 1 . 2]" 1
1830 1 121 GLU QB 1 122 PRO QD . . 3.070 1.956 1.936 2.227 . 0 0 "[ . 1 . 2]" 1
1831 1 122 PRO HA 1 123 ALA H . . 2.750 2.573 2.356 2.639 . 0 0 "[ . 1 . 2]" 1
1832 1 122 PRO HA 1 123 ALA MB . . 4.530 4.228 3.783 4.346 . 0 0 "[ . 1 . 2]" 1
1833 1 122 PRO QB 1 123 ALA H . . 3.290 2.181 2.046 2.640 . 0 0 "[ . 1 . 2]" 1
1834 1 122 PRO HB2 1 123 ALA H . . 3.810 2.218 2.070 2.728 . 0 0 "[ . 1 . 2]" 1
1835 1 122 PRO HB3 1 123 ALA H . . 3.810 3.274 3.208 3.514 . 0 0 "[ . 1 . 2]" 1
1836 1 122 PRO QD 1 123 ALA H . . 4.960 4.835 4.789 4.972 0.012 19 0 "[ . 1 . 2]" 1
1837 1 123 ALA H 1 123 ALA MB . . 2.930 2.265 2.030 2.788 . 0 0 "[ . 1 . 2]" 1
1838 1 123 ALA HA 1 124 ALA H . . 2.690 2.326 2.183 2.851 0.161 19 0 "[ . 1 . 2]" 1
1839 1 123 ALA MB 1 124 ALA H . . 3.290 2.723 2.110 3.663 0.373 19 0 "[ . 1 . 2]" 1
1840 1 124 ALA H 1 124 ALA MB . . 3.580 2.830 2.711 2.888 . 0 0 "[ . 1 . 2]" 1
1841 1 124 ALA H 1 125 ASN H . . 4.020 2.399 2.018 2.863 . 0 0 "[ . 1 . 2]" 1
1842 1 124 ALA H 1 125 ASN HA . . 4.040 3.980 3.912 4.039 . 0 0 "[ . 1 . 2]" 1
1843 1 125 ASN H 1 125 ASN QB . . 3.380 2.442 2.135 2.944 . 0 0 "[ . 1 . 2]" 1
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