NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
635914 | 6qax | 34340 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LEU 1 H LEU 1 0.964 1.092 -7.189 2 HA LEU 1 HA LEU 1 2.037 -1.123 -5.871 3 HB2 LEU 1 2HB LEU 1 4.085 0.463 -6.444 4 HB3 LEU 1 3HB LEU 1 3.548 1.273 -4.974 5 HG LEU 1 HG LEU 1 4.093 -1.674 -4.979 6 HD11 LEU 1 1HD1 LEU 1 6.018 0.040 -5.805 7 HD12 LEU 1 2HD1 LEU 1 6.327 -1.453 -4.920 8 HD13 LEU 1 3HD1 LEU 1 6.258 0.084 -4.058 9 HD21 LEU 1 1HD2 LEU 1 3.334 0.314 -3.065 10 HD22 LEU 1 2HD2 LEU 1 4.900 -0.368 -2.622 11 HD23 LEU 1 3HD2 LEU 1 3.509 -1.429 -2.853 12 H GLY 2 H GLY 2 0.115 -1.217 -4.798 13 HA2 GLY 2 2HA GLY 2 -0.223 0.048 -2.376 14 HA3 GLY 2 3HA GLY 2 -1.084 1.048 -3.536 15 H GLN 3 H GLN 3 -2.811 0.057 -4.773 16 HA GLN 3 HA GLN 3 -4.742 -1.172 -3.337 17 HB2 GLN 3 2HB GLN 3 -4.234 -1.707 -6.268 18 HB3 GLN 3 3HB GLN 3 -5.769 -1.880 -5.428 19 HG2 GLN 3 2HG GLN 3 -5.820 0.518 -5.004 20 HG3 GLN 3 3HG GLN 3 -4.269 0.700 -5.822 21 HE21 GLN 3 1HE2 GLN 3 -7.636 0.544 -6.172 22 HE22 GLN 3 2HE2 GLN 3 -7.702 0.601 -7.897 23 H GLN 4 H GLN 4 -4.851 -3.020 -2.263 24 HA GLN 4 HA GLN 4 -2.979 -5.045 -2.296 25 HB2 GLN 4 2HB GLN 4 -4.859 -6.464 -1.293 26 HB3 GLN 4 3HB GLN 4 -4.428 -4.984 -0.448 27 HG2 GLN 4 2HG GLN 4 -6.354 -3.871 -1.185 28 HG3 GLN 4 3HG GLN 4 -6.679 -5.081 -2.424 29 HE21 GLN 4 1HE2 GLN 4 -8.749 -5.485 -1.704 30 HE22 GLN 4 2HE2 GLN 4 -9.077 -6.322 -0.228 31 H GLN 5 H GLN 5 -3.024 -7.208 -3.099 32 HA GLN 5 HA GLN 5 -4.141 -7.358 -5.781 33 HB2 GLN 5 2HB GLN 5 -1.819 -7.972 -5.548 34 HB3 GLN 5 3HB GLN 5 -2.208 -9.137 -4.289 35 HG2 GLN 5 2HG GLN 5 -3.558 -10.382 -5.995 36 HG3 GLN 5 3HG GLN 5 -2.885 -9.298 -7.212 37 HE21 GLN 5 1HE2 GLN 5 -2.221 -11.518 -7.989 38 HE22 GLN 5 2HE2 GLN 5 -0.676 -12.088 -7.468 39 HA PRO 6 HA PRO 6 -7.566 -9.861 -4.573 40 HB2 PRO 6 2HB PRO 6 -8.183 -10.870 -7.017 41 HB3 PRO 6 3HB PRO 6 -8.538 -9.203 -6.548 42 HG2 PRO 6 2HG PRO 6 -6.263 -10.270 -8.175 43 HG3 PRO 6 3HG PRO 6 -7.253 -8.825 -8.449 44 HD2 PRO 6 2HD PRO 6 -4.781 -8.709 -7.351 45 HD3 PRO 6 3HD PRO 6 -6.073 -7.571 -6.917 46 H PHE 7 H PHE 7 -7.155 -11.643 -3.410 47 HA PHE 7 HA PHE 7 -5.243 -13.566 -3.819 48 HB2 PHE 7 2HB PHE 7 -6.840 -15.094 -2.499 49 HB3 PHE 7 3HB PHE 7 -6.319 -13.598 -1.731 50 HD1 PHE 7 HD1 PHE 7 -9.107 -15.143 -3.620 51 HD2 PHE 7 HD2 PHE 7 -7.879 -12.022 -0.999 52 HE1 PHE 7 HE1 PHE 7 -11.459 -14.504 -3.283 53 HE2 PHE 7 HE2 PHE 7 -10.229 -11.379 -0.657 54 HZ PHE 7 HZ PHE 7 -12.023 -12.621 -1.799 55 HA PRO 8 HA PRO 8 -6.457 -16.130 -7.166 56 HB2 PRO 8 2HB PRO 8 -5.657 -18.578 -6.308 57 HB3 PRO 8 3HB PRO 8 -4.523 -17.320 -6.814 58 HG2 PRO 8 2HG PRO 8 -5.361 -18.116 -4.052 59 HG3 PRO 8 3HG PRO 8 -3.742 -17.729 -4.662 60 HD2 PRO 8 2HD PRO 8 -5.232 -15.957 -3.258 61 HD3 PRO 8 3HD PRO 8 -4.098 -15.456 -4.529 62 HA PRO 9 HA PRO 9 -10.347 -18.078 -6.528 63 HB2 PRO 9 2HB PRO 9 -10.274 -20.154 -8.275 64 HB3 PRO 9 3HB PRO 9 -10.425 -18.470 -8.790 65 HG2 PRO 9 2HG PRO 9 -7.993 -20.213 -8.705 66 HG3 PRO 9 3HG PRO 9 -8.516 -19.084 -9.968 67 HD2 PRO 9 2HD PRO 9 -6.605 -18.458 -8.156 68 HD3 PRO 9 3HD PRO 9 -7.710 -17.246 -8.835 69 H GLN 10 H GLN 10 -11.219 -19.457 -5.096 70 HA GLN 10 HA GLN 10 -11.424 -21.122 -3.560 71 HB2 GLN 10 2HB GLN 10 -11.153 -22.457 -5.736 72 HB3 GLN 10 3HB GLN 10 -9.500 -22.746 -5.209 73 HG2 GLN 10 2HG GLN 10 -10.117 -24.253 -3.677 74 HG3 GLN 10 3HG GLN 10 -11.533 -23.325 -3.185 75 HE21 GLN 10 1HE2 GLN 10 -13.392 -23.390 -4.666 76 HE22 GLN 10 2HE2 GLN 10 -13.717 -24.861 -5.510 77 H GLN 11 H GLN 11 -10.465 -20.270 -1.774 78 HA GLN 11 HA GLN 11 -7.787 -19.770 -1.338 79 HB2 GLN 11 2HB GLN 11 -8.292 -19.609 0.969 80 HB3 GLN 11 3HB GLN 11 -9.754 -19.118 0.124 81 HG2 GLN 11 2HG GLN 11 -10.172 -21.788 0.436 82 HG3 GLN 11 3HG GLN 11 -9.276 -21.389 1.900 83 HE21 GLN 11 1HE2 GLN 11 -12.257 -21.212 0.269 84 HE22 GLN 11 2HE2 GLN 11 -13.128 -20.322 1.466 85 HA PRO 12 HA PRO 12 -5.756 -23.634 -0.882 86 HB2 PRO 12 2HB PRO 12 -3.862 -23.009 0.959 87 HB3 PRO 12 3HB PRO 12 -3.797 -22.445 -0.715 88 HG2 PRO 12 2HG PRO 12 -4.730 -21.001 1.736 89 HG3 PRO 12 3HG PRO 12 -3.723 -20.407 0.402 90 HD2 PRO 12 2HD PRO 12 -6.368 -19.857 0.587 91 HD3 PRO 12 3HD PRO 12 -5.537 -20.040 -0.971 92 H TYR 13 H TYR 13 -6.960 -25.200 0.049 93 HA TYR 13 HA TYR 13 -8.248 -25.203 2.466 94 HB2 TYR 13 2HB TYR 13 -8.434 -26.953 0.681 95 HB3 TYR 13 3HB TYR 13 -6.911 -27.628 1.251 96 HD1 TYR 13 HD1 TYR 13 -9.925 -26.361 3.064 97 HD2 TYR 13 HD2 TYR 13 -7.336 -29.647 2.289 98 HE1 TYR 13 HE1 TYR 13 -11.147 -27.707 4.720 99 HE2 TYR 13 HE2 TYR 13 -8.552 -31.003 3.941 100 HH TYR 13 HH TYR 13 -10.284 -29.985 6.237 Start of MODEL 2 1 H1 LEU 1 H LEU 1 1.807 0.000 0.855 2 HA LEU 1 HA LEU 1 1.746 0.825 -1.845 3 HB2 LEU 1 2HB LEU 1 3.895 -0.613 -0.296 4 HB3 LEU 1 3HB LEU 1 4.116 0.119 -1.884 5 HG LEU 1 HG LEU 1 3.306 1.699 0.547 6 HD11 LEU 1 1HD1 LEU 1 6.020 0.917 -0.444 7 HD12 LEU 1 2HD1 LEU 1 5.387 0.904 1.201 8 HD13 LEU 1 3HD1 LEU 1 5.769 2.436 0.416 9 HD21 LEU 1 1HD2 LEU 1 3.910 2.284 -2.277 10 HD22 LEU 1 2HD2 LEU 1 4.627 3.379 -1.094 11 HD23 LEU 1 3HD2 LEU 1 2.879 3.142 -1.132 12 H GLY 2 H GLY 2 1.086 -0.290 -3.552 13 HA2 GLY 2 2HA GLY 2 1.424 -2.152 -5.043 14 HA3 GLY 2 3HA GLY 2 1.635 -3.183 -3.635 15 H GLN 3 H GLN 3 -0.649 -1.625 -5.741 16 HA GLN 3 HA GLN 3 -3.055 -1.880 -4.538 17 HB2 GLN 3 2HB GLN 3 -2.490 -2.786 -7.365 18 HB3 GLN 3 3HB GLN 3 -4.046 -2.274 -6.727 19 HG2 GLN 3 2HG GLN 3 -3.173 -0.028 -6.370 20 HG3 GLN 3 3HG GLN 3 -1.601 -0.537 -6.985 21 HE21 GLN 3 1HE2 GLN 3 -4.932 -1.075 -8.082 22 HE22 GLN 3 2HE2 GLN 3 -4.686 -0.464 -9.679 23 H GLN 4 H GLN 4 -3.858 -3.458 -3.330 24 HA GLN 4 HA GLN 4 -2.998 -6.076 -3.204 25 HB2 GLN 4 2HB GLN 4 -5.312 -6.530 -2.208 26 HB3 GLN 4 3HB GLN 4 -4.317 -5.316 -1.415 27 HG2 GLN 4 2HG GLN 4 -5.696 -3.617 -1.972 28 HG3 GLN 4 3HG GLN 4 -6.158 -4.349 -3.508 29 HE21 GLN 4 1HE2 GLN 4 -8.334 -3.867 -3.089 30 HE22 GLN 4 2HE2 GLN 4 -9.265 -4.798 -1.970 31 H GLN 5 H GLN 5 -3.237 -7.825 -4.434 32 HA GLN 5 HA GLN 5 -4.924 -7.648 -6.799 33 HB2 GLN 5 2HB GLN 5 -2.661 -8.407 -7.155 34 HB3 GLN 5 3HB GLN 5 -2.847 -9.665 -5.940 35 HG2 GLN 5 2HG GLN 5 -4.632 -10.665 -7.389 36 HG3 GLN 5 3HG GLN 5 -4.168 -9.505 -8.634 37 HE21 GLN 5 1HE2 GLN 5 -3.085 -10.551 -10.140 38 HE22 GLN 5 2HE2 GLN 5 -1.810 -11.686 -9.873 39 HA PRO 6 HA PRO 6 -8.172 -10.068 -5.050 40 HB2 PRO 6 2HB PRO 6 -9.391 -10.799 -7.363 41 HB3 PRO 6 3HB PRO 6 -9.507 -9.169 -6.690 42 HG2 PRO 6 2HG PRO 6 -7.738 -10.194 -8.876 43 HG3 PRO 6 3HG PRO 6 -8.654 -8.678 -8.797 44 HD2 PRO 6 2HD PRO 6 -5.998 -8.803 -8.287 45 HD3 PRO 6 3HD PRO 6 -7.072 -7.644 -7.477 46 H PHE 7 H PHE 7 -7.263 -11.879 -4.147 47 HA PHE 7 HA PHE 7 -5.824 -13.886 -5.339 48 HB2 PHE 7 2HB PHE 7 -6.853 -15.381 -3.513 49 HB3 PHE 7 3HB PHE 7 -5.960 -13.955 -2.994 50 HD1 PHE 7 HD1 PHE 7 -9.407 -15.138 -3.726 51 HD2 PHE 7 HD2 PHE 7 -6.942 -12.439 -1.547 52 HE1 PHE 7 HE1 PHE 7 -11.370 -14.384 -2.447 53 HE2 PHE 7 HE2 PHE 7 -8.899 -11.681 -0.264 54 HZ PHE 7 HZ PHE 7 -11.117 -12.654 -0.713 55 HA PRO 8 HA PRO 8 -8.470 -16.214 -7.951 56 HB2 PRO 8 2HB PRO 8 -7.569 -18.742 -7.544 57 HB3 PRO 8 3HB PRO 8 -6.651 -17.528 -8.442 58 HG2 PRO 8 2HG PRO 8 -6.352 -18.406 -5.596 59 HG3 PRO 8 3HG PRO 8 -5.095 -18.083 -6.805 60 HD2 PRO 8 2HD PRO 8 -5.758 -16.297 -4.880 61 HD3 PRO 8 3HD PRO 8 -5.203 -15.802 -6.492 62 HA PRO 9 HA PRO 9 -11.896 -17.965 -5.822 63 HB2 PRO 9 2HB PRO 9 -12.686 -19.956 -7.489 64 HB3 PRO 9 3HB PRO 9 -12.913 -18.243 -7.863 65 HG2 PRO 9 2HG PRO 9 -10.787 -20.124 -8.813 66 HG3 PRO 9 3HG PRO 9 -11.695 -18.908 -9.729 67 HD2 PRO 9 2HD PRO 9 -9.173 -18.479 -8.842 68 HD3 PRO 9 3HD PRO 9 -10.369 -17.175 -8.987 69 H GLN 10 H GLN 10 -12.629 -19.726 -4.565 70 HA GLN 10 HA GLN 10 -12.413 -21.538 -3.208 71 HB2 GLN 10 2HB GLN 10 -12.235 -22.642 -5.513 72 HB3 GLN 10 3HB GLN 10 -10.501 -22.697 -5.225 73 HG2 GLN 10 2HG GLN 10 -11.522 -23.771 -2.921 74 HG3 GLN 10 3HG GLN 10 -12.634 -24.363 -4.153 75 HE21 GLN 10 1HE2 GLN 10 -11.480 -25.202 -6.165 76 HE22 GLN 10 2HE2 GLN 10 -10.116 -26.223 -5.884 77 H GLN 11 H GLN 11 -11.375 -20.756 -1.446 78 HA GLN 11 HA GLN 11 -8.778 -19.844 -1.249 79 HB2 GLN 11 2HB GLN 11 -8.983 -20.531 1.206 80 HB3 GLN 11 3HB GLN 11 -10.189 -19.414 0.581 81 HG2 GLN 11 2HG GLN 11 -11.877 -20.916 0.750 82 HG3 GLN 11 3HG GLN 11 -10.826 -22.299 0.455 83 HE21 GLN 11 1HE2 GLN 11 -12.496 -20.530 2.761 84 HE22 GLN 11 2HE2 GLN 11 -11.817 -21.247 4.179 85 HA PRO 12 HA PRO 12 -6.089 -23.304 -1.458 86 HB2 PRO 12 2HB PRO 12 -4.165 -22.605 0.325 87 HB3 PRO 12 3HB PRO 12 -4.347 -21.820 -1.248 88 HG2 PRO 12 2HG PRO 12 -5.279 -20.905 1.446 89 HG3 PRO 12 3HG PRO 12 -4.510 -19.969 0.151 90 HD2 PRO 12 2HD PRO 12 -7.182 -19.926 0.590 91 HD3 PRO 12 3HD PRO 12 -6.477 -19.749 -1.030 92 H TYR 13 H TYR 13 -5.953 -25.294 -0.588 93 HA TYR 13 HA TYR 13 -6.462 -27.033 0.801 94 HB2 TYR 13 2HB TYR 13 -4.506 -26.790 1.956 95 HB3 TYR 13 3HB TYR 13 -4.840 -25.116 2.384 96 HD1 TYR 13 HD1 TYR 13 -5.765 -28.619 3.211 97 HD2 TYR 13 HD2 TYR 13 -5.657 -24.570 4.513 98 HE1 TYR 13 HE1 TYR 13 -6.419 -29.335 5.471 99 HE2 TYR 13 HE2 TYR 13 -6.310 -25.275 6.777 100 HH TYR 13 HH TYR 13 -7.715 -27.619 7.640 Start of MODEL 3 1 H1 LEU 1 H LEU 1 3.904 -2.075 -5.228 2 HA LEU 1 HA LEU 1 1.516 -0.685 -5.997 3 HB2 LEU 1 2HB LEU 1 2.331 -3.539 -5.718 4 HB3 LEU 1 3HB LEU 1 0.616 -3.145 -5.819 5 HG LEU 1 HG LEU 1 1.657 -1.775 -7.953 6 HD11 LEU 1 1HD1 LEU 1 2.993 -3.585 -9.129 7 HD12 LEU 1 2HD1 LEU 1 3.232 -4.298 -7.535 8 HD13 LEU 1 3HD1 LEU 1 3.827 -2.673 -7.871 9 HD21 LEU 1 1HD2 LEU 1 0.379 -4.474 -7.673 10 HD22 LEU 1 2HD2 LEU 1 0.781 -3.806 -9.255 11 HD23 LEU 1 3HD2 LEU 1 -0.343 -2.953 -8.196 12 H GLY 2 H GLY 2 0.664 0.472 -4.320 13 HA2 GLY 2 2HA GLY 2 0.439 -0.550 -1.664 14 HA3 GLY 2 3HA GLY 2 -0.333 0.900 -2.288 15 H GLN 3 H GLN 3 -1.939 -0.053 -4.266 16 HA GLN 3 HA GLN 3 -4.261 -0.751 -3.073 17 HB2 GLN 3 2HB GLN 3 -3.382 -1.792 -5.770 18 HB3 GLN 3 3HB GLN 3 -5.040 -1.607 -5.215 19 HG2 GLN 3 2HG GLN 3 -4.745 0.808 -5.107 20 HG3 GLN 3 3HG GLN 3 -3.073 0.632 -5.638 21 HE21 GLN 3 1HE2 GLN 3 -5.239 2.106 -6.879 22 HE22 GLN 3 2HE2 GLN 3 -5.428 1.452 -8.466 23 H GLN 4 H GLN 4 -4.852 -2.375 -1.812 24 HA GLN 4 HA GLN 4 -3.379 -4.639 -1.255 25 HB2 GLN 4 2HB GLN 4 -5.611 -5.591 -0.439 26 HB3 GLN 4 3HB GLN 4 -5.068 -4.081 0.279 27 HG2 GLN 4 2HG GLN 4 -6.649 -2.821 -0.873 28 HG3 GLN 4 3HG GLN 4 -6.935 -4.095 -2.058 29 HE21 GLN 4 1HE2 GLN 4 -9.190 -3.526 -1.442 30 HE22 GLN 4 2HE2 GLN 4 -9.893 -4.377 -0.112 31 H GLN 5 H GLN 5 -3.086 -6.574 -2.177 32 HA GLN 5 HA GLN 5 -4.118 -7.035 -4.814 33 HB2 GLN 5 2HB GLN 5 -1.850 -7.697 -4.322 34 HB3 GLN 5 3HB GLN 5 -2.391 -8.721 -2.998 35 HG2 GLN 5 2HG GLN 5 -3.641 -10.083 -4.690 36 HG3 GLN 5 3HG GLN 5 -2.826 -9.144 -5.940 37 HE21 GLN 5 1HE2 GLN 5 -1.079 -10.047 -6.734 38 HE22 GLN 5 2HE2 GLN 5 -0.037 -11.156 -5.916 39 HA PRO 6 HA PRO 6 -7.731 -9.298 -3.680 40 HB2 PRO 6 2HB PRO 6 -8.180 -10.519 -6.062 41 HB3 PRO 6 3HB PRO 6 -8.506 -8.804 -5.785 42 HG2 PRO 6 2HG PRO 6 -6.147 -10.096 -7.099 43 HG3 PRO 6 3HG PRO 6 -7.052 -8.654 -7.594 44 HD2 PRO 6 2HD PRO 6 -4.678 -8.511 -6.299 45 HD3 PRO 6 3HD PRO 6 -5.955 -7.295 -6.090 46 H PHE 7 H PHE 7 -8.205 -11.280 -2.876 47 HA PHE 7 HA PHE 7 -6.277 -13.141 -2.295 48 HB2 PHE 7 2HB PHE 7 -8.259 -14.764 -2.039 49 HB3 PHE 7 3HB PHE 7 -8.274 -13.296 -1.067 50 HD1 PHE 7 HD1 PHE 7 -10.066 -11.811 -1.181 51 HD2 PHE 7 HD2 PHE 7 -9.605 -14.785 -4.191 52 HE1 PHE 7 HE1 PHE 7 -12.280 -11.235 -2.084 53 HE2 PHE 7 HE2 PHE 7 -11.818 -14.212 -5.100 54 HZ PHE 7 HZ PHE 7 -13.159 -12.435 -4.047 55 HA PRO 8 HA PRO 8 -5.477 -15.564 -5.864 56 HB2 PRO 8 2HB PRO 8 -5.131 -18.034 -4.792 57 HB3 PRO 8 3HB PRO 8 -3.954 -16.729 -4.599 58 HG2 PRO 8 2HG PRO 8 -6.062 -17.676 -2.696 59 HG3 PRO 8 3HG PRO 8 -4.379 -17.226 -2.367 60 HD2 PRO 8 2HD PRO 8 -6.454 -15.555 -1.884 61 HD3 PRO 8 3HD PRO 8 -4.849 -14.970 -2.368 62 HA PRO 9 HA PRO 9 -9.051 -17.621 -7.391 63 HB2 PRO 9 2HB PRO 9 -7.997 -19.608 -8.912 64 HB3 PRO 9 3HB PRO 9 -7.933 -17.904 -9.379 65 HG2 PRO 9 2HG PRO 9 -5.822 -19.599 -8.101 66 HG3 PRO 9 3HG PRO 9 -5.666 -18.420 -9.417 67 HD2 PRO 9 2HD PRO 9 -4.993 -17.844 -6.859 68 HD3 PRO 9 3HD PRO 9 -5.640 -16.623 -7.974 69 H GLN 10 H GLN 10 -9.946 -18.467 -5.476 70 HA GLN 10 HA GLN 10 -10.742 -20.095 -4.102 71 HB2 GLN 10 2HB GLN 10 -10.388 -21.307 -6.641 72 HB3 GLN 10 3HB GLN 10 -9.853 -22.468 -5.433 73 HG2 GLN 10 2HG GLN 10 -11.929 -22.853 -4.705 74 HG3 GLN 10 3HG GLN 10 -12.378 -21.150 -4.780 75 HE21 GLN 10 1HE2 GLN 10 -13.187 -24.045 -5.923 76 HE22 GLN 10 2HE2 GLN 10 -13.817 -23.616 -7.474 77 H GLN 11 H GLN 11 -9.486 -19.870 -2.311 78 HA GLN 11 HA GLN 11 -6.810 -20.476 -2.005 79 HB2 GLN 11 2HB GLN 11 -7.423 -20.824 0.454 80 HB3 GLN 11 3HB GLN 11 -7.825 -19.269 -0.262 81 HG2 GLN 11 2HG GLN 11 -10.010 -19.555 0.059 82 HG3 GLN 11 3HG GLN 11 -9.966 -21.228 -0.495 83 HE21 GLN 11 1HE2 GLN 11 -9.883 -22.852 0.968 84 HE22 GLN 11 2HE2 GLN 11 -9.925 -22.616 2.679 85 HA PRO 12 HA PRO 12 -6.390 -24.843 -1.984 86 HB2 PRO 12 2HB PRO 12 -4.444 -25.193 -0.123 87 HB3 PRO 12 3HB PRO 12 -4.131 -24.511 -1.724 88 HG2 PRO 12 2HG PRO 12 -4.506 -23.107 0.893 89 HG3 PRO 12 3HG PRO 12 -3.317 -22.793 -0.385 90 HD2 PRO 12 2HD PRO 12 -5.561 -21.307 -0.084 91 HD3 PRO 12 3HD PRO 12 -4.825 -21.615 -1.670 92 H TYR 13 H TYR 13 -7.046 -26.692 -0.919 93 HA TYR 13 HA TYR 13 -8.397 -27.880 0.488 94 HB2 TYR 13 2HB TYR 13 -6.672 -28.288 1.929 95 HB3 TYR 13 3HB TYR 13 -6.330 -26.579 2.176 96 HD1 TYR 13 HD1 TYR 13 -7.280 -25.386 4.003 97 HD2 TYR 13 HD2 TYR 13 -8.533 -29.368 3.181 98 HE1 TYR 13 HE1 TYR 13 -8.437 -25.463 6.172 99 HE2 TYR 13 HE2 TYR 13 -9.695 -29.455 5.347 100 HH TYR 13 HH TYR 13 -10.659 -27.886 6.984 Start of MODEL 4 1 H1 LEU 1 H LEU 1 4.077 -0.061 -0.250 2 HA LEU 1 HA LEU 1 1.810 0.994 -1.182 3 HB2 LEU 1 2HB LEU 1 3.082 2.890 -2.066 4 HB3 LEU 1 3HB LEU 1 4.007 1.791 -3.087 5 HG LEU 1 HG LEU 1 1.950 1.239 -4.323 6 HD11 LEU 1 1HD1 LEU 1 0.727 2.610 -2.115 7 HD12 LEU 1 2HD1 LEU 1 -0.017 1.633 -3.379 8 HD13 LEU 1 3HD1 LEU 1 0.254 3.355 -3.642 9 HD21 LEU 1 1HD2 LEU 1 3.115 2.851 -5.457 10 HD22 LEU 1 2HD2 LEU 1 2.994 4.023 -4.144 11 HD23 LEU 1 3HD2 LEU 1 1.596 3.701 -5.173 12 H GLY 2 H GLY 2 0.723 -0.523 -2.311 13 HA2 GLY 2 2HA GLY 2 1.715 -2.142 -4.347 14 HA3 GLY 2 3HA GLY 2 1.954 -3.017 -2.842 15 H GLN 3 H GLN 3 -0.456 -1.563 -4.956 16 HA GLN 3 HA GLN 3 -2.809 -2.045 -3.719 17 HB2 GLN 3 2HB GLN 3 -2.255 -2.753 -6.604 18 HB3 GLN 3 3HB GLN 3 -3.826 -2.383 -5.905 19 HG2 GLN 3 2HG GLN 3 -3.095 -0.107 -5.441 20 HG3 GLN 3 3HG GLN 3 -1.508 -0.475 -6.116 21 HE21 GLN 3 1HE2 GLN 3 -4.077 1.212 -6.795 22 HE22 GLN 3 2HE2 GLN 3 -4.201 1.001 -8.505 23 H GLN 4 H GLN 4 -3.412 -3.741 -2.547 24 HA GLN 4 HA GLN 4 -2.395 -6.302 -2.637 25 HB2 GLN 4 2HB GLN 4 -4.613 -6.959 -1.542 26 HB3 GLN 4 3HB GLN 4 -3.644 -5.735 -0.731 27 HG2 GLN 4 2HG GLN 4 -5.549 -4.617 -2.626 28 HG3 GLN 4 3HG GLN 4 -6.309 -5.544 -1.333 29 HE21 GLN 4 1HE2 GLN 4 -5.455 -5.027 0.891 30 HE22 GLN 4 2HE2 GLN 4 -5.189 -3.359 1.252 31 H GLN 5 H GLN 5 -2.571 -7.953 -4.000 32 HA GLN 5 HA GLN 5 -4.326 -7.739 -6.286 33 HB2 GLN 5 2HB GLN 5 -2.077 -8.528 -6.664 34 HB3 GLN 5 3HB GLN 5 -2.285 -9.816 -5.485 35 HG2 GLN 5 2HG GLN 5 -4.088 -10.742 -6.959 36 HG3 GLN 5 3HG GLN 5 -3.604 -9.557 -8.171 37 HE21 GLN 5 1HE2 GLN 5 -2.978 -12.589 -6.782 38 HE22 GLN 5 2HE2 GLN 5 -1.555 -12.976 -7.682 39 HA PRO 6 HA PRO 6 -7.616 -10.145 -4.600 40 HB2 PRO 6 2HB PRO 6 -8.850 -10.790 -6.930 41 HB3 PRO 6 3HB PRO 6 -8.935 -9.178 -6.212 42 HG2 PRO 6 2HG PRO 6 -7.187 -10.174 -8.428 43 HG3 PRO 6 3HG PRO 6 -8.075 -8.644 -8.306 44 HD2 PRO 6 2HD PRO 6 -5.421 -8.832 -7.803 45 HD3 PRO 6 3HD PRO 6 -6.473 -7.677 -6.960 46 H PHE 7 H PHE 7 -6.949 -12.045 -3.748 47 HA PHE 7 HA PHE 7 -5.442 -14.031 -4.892 48 HB2 PHE 7 2HB PHE 7 -6.692 -15.586 -3.265 49 HB3 PHE 7 3HB PHE 7 -5.824 -14.216 -2.581 50 HD1 PHE 7 HD1 PHE 7 -6.920 -12.694 -1.211 51 HD2 PHE 7 HD2 PHE 7 -9.198 -15.312 -3.677 52 HE1 PHE 7 HE1 PHE 7 -8.982 -11.945 -0.097 53 HE2 PHE 7 HE2 PHE 7 -11.263 -14.566 -2.567 54 HZ PHE 7 HZ PHE 7 -11.157 -12.880 -0.775 55 HA PRO 8 HA PRO 8 -7.856 -16.142 -7.885 56 HB2 PRO 8 2HB PRO 8 -7.063 -18.714 -7.524 57 HB3 PRO 8 3HB PRO 8 -6.027 -17.483 -8.256 58 HG2 PRO 8 2HG PRO 8 -6.049 -18.514 -5.446 59 HG3 PRO 8 3HG PRO 8 -4.665 -18.167 -6.500 60 HD2 PRO 8 2HD PRO 8 -5.482 -16.463 -4.560 61 HD3 PRO 8 3HD PRO 8 -4.751 -15.902 -6.077 62 HA PRO 9 HA PRO 9 -11.527 -17.898 -6.218 63 HB2 PRO 9 2HB PRO 9 -12.186 -19.777 -8.063 64 HB3 PRO 9 3HB PRO 9 -12.331 -18.042 -8.365 65 HG2 PRO 9 2HG PRO 9 -10.163 -19.934 -9.191 66 HG3 PRO 9 3HG PRO 9 -10.941 -18.646 -10.129 67 HD2 PRO 9 2HD PRO 9 -8.516 -18.338 -8.964 68 HD3 PRO 9 3HD PRO 9 -9.659 -16.993 -9.161 69 H GLN 10 H GLN 10 -12.394 -19.660 -5.084 70 HA GLN 10 HA GLN 10 -12.365 -21.544 -3.811 71 HB2 GLN 10 2HB GLN 10 -12.088 -22.589 -6.100 72 HB3 GLN 10 3HB GLN 10 -10.360 -22.645 -5.778 73 HG2 GLN 10 2HG GLN 10 -10.718 -24.648 -4.900 74 HG3 GLN 10 3HG GLN 10 -11.463 -23.810 -3.539 75 HE21 GLN 10 1HE2 GLN 10 -13.815 -23.257 -3.887 76 HE22 GLN 10 2HE2 GLN 10 -14.798 -24.478 -4.614 77 H GLN 11 H GLN 11 -11.445 -20.829 -1.947 78 HA GLN 11 HA GLN 11 -8.831 -20.066 -1.505 79 HB2 GLN 11 2HB GLN 11 -9.262 -20.281 0.813 80 HB3 GLN 11 3HB GLN 11 -10.804 -19.867 0.076 81 HG2 GLN 11 2HG GLN 11 -11.256 -22.383 0.047 82 HG3 GLN 11 3HG GLN 11 -9.898 -22.504 1.166 83 HE21 GLN 11 1HE2 GLN 11 -12.108 -23.419 2.162 84 HE22 GLN 11 2HE2 GLN 11 -12.857 -22.319 3.262 85 HA PRO 12 HA PRO 12 -6.336 -23.674 -1.634 86 HB2 PRO 12 2HB PRO 12 -4.460 -23.073 0.234 87 HB3 PRO 12 3HB PRO 12 -4.529 -22.285 -1.347 88 HG2 PRO 12 2HG PRO 12 -5.532 -21.311 1.300 89 HG3 PRO 12 3HG PRO 12 -4.656 -20.423 0.040 90 HD2 PRO 12 2HD PRO 12 -7.338 -20.235 0.357 91 HD3 PRO 12 3HD PRO 12 -6.553 -20.102 -1.229 92 H TYR 13 H TYR 13 -6.295 -25.664 -0.739 93 HA TYR 13 HA TYR 13 -6.949 -27.373 0.628 94 HB2 TYR 13 2HB TYR 13 -5.061 -27.186 1.901 95 HB3 TYR 13 3HB TYR 13 -5.364 -25.498 2.296 96 HD1 TYR 13 HD1 TYR 13 -6.137 -28.980 3.198 97 HD2 TYR 13 HD2 TYR 13 -6.612 -24.887 4.255 98 HE1 TYR 13 HE1 TYR 13 -6.953 -29.655 5.418 99 HE2 TYR 13 HE2 TYR 13 -7.428 -25.549 6.479 100 HH TYR 13 HH TYR 13 -8.251 -27.319 7.685 Start of MODEL 5 1 H1 LEU 1 H LEU 1 3.910 -1.571 -2.552 2 HA LEU 1 HA LEU 1 2.316 -1.099 -4.918 3 HB2 LEU 1 2HB LEU 1 2.893 -3.427 -5.219 4 HB3 LEU 1 3HB LEU 1 2.381 -3.796 -3.574 5 HG LEU 1 HG LEU 1 0.051 -3.077 -4.303 6 HD11 LEU 1 1HD1 LEU 1 0.004 -2.052 -6.292 7 HD12 LEU 1 2HD1 LEU 1 0.048 -3.685 -6.956 8 HD13 LEU 1 3HD1 LEU 1 1.539 -2.756 -6.804 9 HD21 LEU 1 1HD2 LEU 1 0.781 -5.419 -3.961 10 HD22 LEU 1 2HD2 LEU 1 1.232 -5.495 -5.664 11 HD23 LEU 1 3HD2 LEU 1 -0.454 -5.249 -5.207 12 H GLY 2 H GLY 2 0.285 -0.404 -4.435 13 HA2 GLY 2 2HA GLY 2 -0.334 -0.151 -1.573 14 HA3 GLY 2 3HA GLY 2 -0.989 0.856 -2.856 15 H GLN 3 H GLN 3 -2.551 -0.126 -4.323 16 HA GLN 3 HA GLN 3 -4.726 -1.215 -3.146 17 HB2 GLN 3 2HB GLN 3 -3.816 -1.898 -5.946 18 HB3 GLN 3 3HB GLN 3 -5.464 -1.974 -5.339 19 HG2 GLN 3 2HG GLN 3 -5.469 0.441 -5.020 20 HG3 GLN 3 3HG GLN 3 -3.807 0.525 -5.603 21 HE21 GLN 3 1HE2 GLN 3 -3.385 0.196 -7.790 22 HE22 GLN 3 2HE2 GLN 3 -4.628 0.291 -8.986 23 H GLN 4 H GLN 4 -5.122 -3.024 -2.074 24 HA GLN 4 HA GLN 4 -3.357 -5.110 -1.704 25 HB2 GLN 4 2HB GLN 4 -5.440 -6.427 -1.012 26 HB3 GLN 4 3HB GLN 4 -5.109 -4.930 -0.151 27 HG2 GLN 4 2HG GLN 4 -6.999 -3.975 -0.844 28 HG3 GLN 4 3HG GLN 4 -6.806 -4.570 -2.493 29 HE21 GLN 4 1HE2 GLN 4 -9.127 -4.885 -2.368 30 HE22 GLN 4 2HE2 GLN 4 -9.744 -6.335 -1.659 31 H GLN 5 H GLN 5 -2.888 -6.985 -2.719 32 HA GLN 5 HA GLN 5 -3.609 -7.286 -5.449 33 HB2 GLN 5 2HB GLN 5 -1.441 -8.027 -4.694 34 HB3 GLN 5 3HB GLN 5 -2.173 -9.138 -3.544 35 HG2 GLN 5 2HG GLN 5 -3.181 -10.343 -5.497 36 HG3 GLN 5 3HG GLN 5 -2.188 -9.328 -6.542 37 HE21 GLN 5 1HE2 GLN 5 -0.664 -10.613 -7.321 38 HE22 GLN 5 2HE2 GLN 5 0.362 -11.641 -6.386 39 HA PRO 6 HA PRO 6 -7.366 -9.557 -5.018 40 HB2 PRO 6 2HB PRO 6 -7.481 -10.585 -7.528 41 HB3 PRO 6 3HB PRO 6 -7.828 -8.890 -7.167 42 HG2 PRO 6 2HG PRO 6 -5.317 -10.124 -8.231 43 HG3 PRO 6 3HG PRO 6 -6.130 -8.631 -8.735 44 HD2 PRO 6 2HD PRO 6 -3.964 -8.633 -7.109 45 HD3 PRO 6 3HD PRO 6 -5.248 -7.412 -6.989 46 H PHE 7 H PHE 7 -7.176 -11.281 -3.685 47 HA PHE 7 HA PHE 7 -5.376 -13.349 -3.759 48 HB2 PHE 7 2HB PHE 7 -7.243 -14.699 -2.612 49 HB3 PHE 7 3HB PHE 7 -6.719 -13.208 -1.836 50 HD1 PHE 7 HD1 PHE 7 -9.362 -14.710 -3.934 51 HD2 PHE 7 HD2 PHE 7 -8.216 -11.430 -1.475 52 HE1 PHE 7 HE1 PHE 7 -11.684 -13.897 -3.944 53 HE2 PHE 7 HE2 PHE 7 -10.536 -10.612 -1.480 54 HZ PHE 7 HZ PHE 7 -12.274 -11.846 -2.714 55 HA PRO 8 HA PRO 8 -6.323 -15.975 -7.143 56 HB2 PRO 8 2HB PRO 8 -5.829 -18.430 -6.096 57 HB3 PRO 8 3HB PRO 8 -4.548 -17.278 -6.489 58 HG2 PRO 8 2HG PRO 8 -5.801 -17.885 -3.839 59 HG3 PRO 8 3HG PRO 8 -4.091 -17.640 -4.238 60 HD2 PRO 8 2HD PRO 8 -5.618 -15.706 -3.115 61 HD3 PRO 8 3HD PRO 8 -4.291 -15.344 -4.238 62 HA PRO 9 HA PRO 9 -10.398 -17.618 -6.967 63 HB2 PRO 9 2HB PRO 9 -10.249 -19.773 -8.611 64 HB3 PRO 9 3HB PRO 9 -10.205 -18.109 -9.203 65 HG2 PRO 9 2HG PRO 9 -7.942 -20.010 -8.725 66 HG3 PRO 9 3HG PRO 9 -8.208 -18.907 -10.088 67 HD2 PRO 9 2HD PRO 9 -6.512 -18.331 -8.058 68 HD3 PRO 9 3HD PRO 9 -7.424 -17.078 -8.925 69 H GLN 10 H GLN 10 -10.925 -18.400 -4.987 70 HA GLN 10 HA GLN 10 -11.351 -19.895 -3.326 71 HB2 GLN 10 2HB GLN 10 -11.640 -21.306 -5.712 72 HB3 GLN 10 3HB GLN 10 -10.627 -22.340 -4.714 73 HG2 GLN 10 2HG GLN 10 -12.880 -22.971 -4.344 74 HG3 GLN 10 3HG GLN 10 -12.325 -22.125 -2.901 75 HE21 GLN 10 1HE2 GLN 10 -14.050 -21.612 -5.945 76 HE22 GLN 10 2HE2 GLN 10 -15.129 -20.409 -5.335 77 H GLN 11 H GLN 11 -9.776 -19.514 -1.854 78 HA GLN 11 HA GLN 11 -7.068 -19.994 -2.074 79 HB2 GLN 11 2HB GLN 11 -6.931 -19.743 0.276 80 HB3 GLN 11 3HB GLN 11 -8.288 -18.747 -0.233 81 HG2 GLN 11 2HG GLN 11 -9.802 -20.627 0.402 82 HG3 GLN 11 3HG GLN 11 -8.399 -21.447 1.083 83 HE21 GLN 11 1HE2 GLN 11 -9.747 -21.340 3.038 84 HE22 GLN 11 2HE2 GLN 11 -9.650 -19.925 4.024 85 HA PRO 12 HA PRO 12 -6.452 -24.336 -1.899 86 HB2 PRO 12 2HB PRO 12 -4.083 -24.470 -0.580 87 HB3 PRO 12 3HB PRO 12 -4.222 -23.910 -2.251 88 HG2 PRO 12 2HG PRO 12 -3.996 -22.312 0.271 89 HG3 PRO 12 3HG PRO 12 -3.188 -22.063 -1.288 90 HD2 PRO 12 2HD PRO 12 -5.357 -20.633 -0.526 91 HD3 PRO 12 3HD PRO 12 -5.031 -21.043 -2.223 92 H TYR 13 H TYR 13 -8.283 -24.703 -0.460 93 HA TYR 13 HA TYR 13 -9.299 -25.406 1.460 94 HB2 TYR 13 2HB TYR 13 -8.303 -27.458 1.331 95 HB3 TYR 13 3HB TYR 13 -6.676 -26.789 1.319 96 HD1 TYR 13 HD1 TYR 13 -5.453 -26.468 3.357 97 HD2 TYR 13 HD2 TYR 13 -9.491 -27.802 3.464 98 HE1 TYR 13 HE1 TYR 13 -5.189 -27.057 5.731 99 HE2 TYR 13 HE2 TYR 13 -9.239 -28.394 5.838 100 HH TYR 13 HH TYR 13 -6.811 -27.309 7.756 Start of MODEL 6 1 H1 LEU 1 H LEU 1 4.090 1.802 -0.195 2 HA LEU 1 HA LEU 1 1.596 1.199 -1.164 3 HB2 LEU 1 2HB LEU 1 3.927 2.597 -2.106 4 HB3 LEU 1 3HB LEU 1 3.146 1.743 -3.436 5 HG LEU 1 HG LEU 1 2.389 4.066 -3.254 6 HD11 LEU 1 1HD1 LEU 1 0.017 2.501 -2.406 7 HD12 LEU 1 2HD1 LEU 1 0.895 1.959 -3.836 8 HD13 LEU 1 3HD1 LEU 1 0.228 3.591 -3.777 9 HD21 LEU 1 1HD2 LEU 1 2.671 4.248 -0.793 10 HD22 LEU 1 2HD2 LEU 1 1.223 3.260 -0.593 11 HD23 LEU 1 3HD2 LEU 1 1.113 4.839 -1.373 12 H GLY 2 H GLY 2 0.737 -0.199 -2.680 13 HA2 GLY 2 2HA GLY 2 1.841 -1.836 -4.498 14 HA3 GLY 2 3HA GLY 2 2.186 -2.693 -3.003 15 H GLN 3 H GLN 3 -0.431 -1.369 -4.977 16 HA GLN 3 HA GLN 3 -2.670 -2.180 -3.699 17 HB2 GLN 3 2HB GLN 3 -2.174 -2.610 -6.649 18 HB3 GLN 3 3HB GLN 3 -3.742 -2.456 -5.868 19 HG2 GLN 3 2HG GLN 3 -3.221 -0.159 -5.251 20 HG3 GLN 3 3HG GLN 3 -1.636 -0.310 -6.010 21 HE21 GLN 3 1HE2 GLN 3 -4.616 0.903 -6.437 22 HE22 GLN 3 2HE2 GLN 3 -4.704 0.906 -8.163 23 H GLN 4 H GLN 4 -3.137 -4.013 -2.692 24 HA GLN 4 HA GLN 4 -1.852 -6.439 -2.954 25 HB2 GLN 4 2HB GLN 4 -3.994 -7.405 -1.940 26 HB3 GLN 4 3HB GLN 4 -3.166 -6.149 -1.029 27 HG2 GLN 4 2HG GLN 4 -4.780 -4.556 -1.510 28 HG3 GLN 4 3HG GLN 4 -5.395 -5.456 -2.895 29 HE21 GLN 4 1HE2 GLN 4 -6.186 -7.738 -2.221 30 HE22 GLN 4 2HE2 GLN 4 -7.236 -7.769 -0.850 31 H GLN 5 H GLN 5 -2.548 -8.476 -3.844 32 HA GLN 5 HA GLN 5 -3.868 -8.121 -6.435 33 HB2 GLN 5 2HB GLN 5 -1.669 -9.104 -6.567 34 HB3 GLN 5 3HB GLN 5 -2.094 -10.322 -5.373 35 HG2 GLN 5 2HG GLN 5 -3.823 -11.159 -6.984 36 HG3 GLN 5 3HG GLN 5 -3.128 -10.067 -8.182 37 HE21 GLN 5 1HE2 GLN 5 -3.130 -12.561 -8.926 38 HE22 GLN 5 2HE2 GLN 5 -1.575 -13.299 -8.783 39 HA PRO 6 HA PRO 6 -7.494 -10.184 -5.003 40 HB2 PRO 6 2HB PRO 6 -8.552 -10.821 -7.421 41 HB3 PRO 6 3HB PRO 6 -8.569 -9.179 -6.767 42 HG2 PRO 6 2HG PRO 6 -6.709 -10.402 -8.768 43 HG3 PRO 6 3HG PRO 6 -7.472 -8.801 -8.782 44 HD2 PRO 6 2HD PRO 6 -4.903 -9.183 -8.016 45 HD3 PRO 6 3HD PRO 6 -5.929 -7.913 -7.318 46 H PHE 7 H PHE 7 -6.856 -12.064 -4.010 47 HA PHE 7 HA PHE 7 -5.519 -14.220 -5.052 48 HB2 PHE 7 2HB PHE 7 -6.858 -15.581 -3.327 49 HB3 PHE 7 3HB PHE 7 -5.881 -14.244 -2.731 50 HD1 PHE 7 HD1 PHE 7 -9.342 -14.849 -3.990 51 HD2 PHE 7 HD2 PHE 7 -6.840 -12.860 -1.179 52 HE1 PHE 7 HE1 PHE 7 -11.331 -13.887 -2.905 53 HE2 PHE 7 HE2 PHE 7 -8.824 -11.896 -0.090 54 HZ PHE 7 HZ PHE 7 -11.073 -12.409 -0.952 55 HA PRO 8 HA PRO 8 -8.128 -16.308 -7.895 56 HB2 PRO 8 2HB PRO 8 -7.525 -18.907 -7.395 57 HB3 PRO 8 3HB PRO 8 -6.410 -17.802 -8.207 58 HG2 PRO 8 2HG PRO 8 -6.468 -18.668 -5.341 59 HG3 PRO 8 3HG PRO 8 -5.078 -18.487 -6.428 60 HD2 PRO 8 2HD PRO 8 -5.737 -16.619 -4.581 61 HD3 PRO 8 3HD PRO 8 -4.987 -16.202 -6.135 62 HA PRO 9 HA PRO 9 -11.895 -17.683 -6.093 63 HB2 PRO 9 2HB PRO 9 -12.720 -19.608 -7.820 64 HB3 PRO 9 3HB PRO 9 -12.739 -17.887 -8.220 65 HG2 PRO 9 2HG PRO 9 -10.731 -19.981 -8.957 66 HG3 PRO 9 3HG PRO 9 -11.424 -18.693 -9.960 67 HD2 PRO 9 2HD PRO 9 -8.966 -18.505 -8.839 68 HD3 PRO 9 3HD PRO 9 -10.007 -17.091 -9.102 69 H GLN 10 H GLN 10 -12.602 -19.084 -4.568 70 HA GLN 10 HA GLN 10 -12.631 -20.830 -3.111 71 HB2 GLN 10 2HB GLN 10 -12.533 -21.962 -5.673 72 HB3 GLN 10 3HB GLN 10 -11.339 -22.847 -4.733 73 HG2 GLN 10 2HG GLN 10 -13.993 -22.407 -3.497 74 HG3 GLN 10 3HG GLN 10 -13.892 -23.553 -4.832 75 HE21 GLN 10 1HE2 GLN 10 -13.932 -23.399 -1.625 76 HE22 GLN 10 2HE2 GLN 10 -12.954 -24.764 -1.221 77 H GLN 11 H GLN 11 -11.189 -20.251 -1.567 78 HA GLN 11 HA GLN 11 -8.447 -20.022 -1.778 79 HB2 GLN 11 2HB GLN 11 -8.362 -20.025 0.587 80 HB3 GLN 11 3HB GLN 11 -9.925 -19.338 0.166 81 HG2 GLN 11 2HG GLN 11 -10.659 -21.883 0.411 82 HG3 GLN 11 3HG GLN 11 -9.268 -21.896 1.494 83 HE21 GLN 11 1HE2 GLN 11 -12.122 -19.918 0.763 84 HE22 GLN 11 2HE2 GLN 11 -12.503 -19.554 2.408 85 HA PRO 12 HA PRO 12 -6.782 -24.070 -2.096 86 HB2 PRO 12 2HB PRO 12 -4.445 -23.776 -0.747 87 HB3 PRO 12 3HB PRO 12 -4.727 -23.072 -2.343 88 HG2 PRO 12 2HG PRO 12 -4.885 -21.778 0.352 89 HG3 PRO 12 3HG PRO 12 -4.173 -21.156 -1.148 90 HD2 PRO 12 2HD PRO 12 -6.623 -20.401 -0.277 91 HD3 PRO 12 3HD PRO 12 -6.216 -20.515 -2.001 92 H TYR 13 H TYR 13 -6.944 -25.973 -1.047 93 HA TYR 13 HA TYR 13 -7.580 -27.434 0.589 94 HB2 TYR 13 2HB TYR 13 -5.444 -27.605 1.380 95 HB3 TYR 13 3HB TYR 13 -5.297 -25.876 1.670 96 HD1 TYR 13 HD1 TYR 13 -6.448 -29.072 3.060 97 HD2 TYR 13 HD2 TYR 13 -5.957 -24.908 3.784 98 HE1 TYR 13 HE1 TYR 13 -6.825 -29.451 5.461 99 HE2 TYR 13 HE2 TYR 13 -6.331 -25.275 6.187 100 HH TYR 13 HH TYR 13 -6.217 -27.037 7.820 Start of MODEL 7 1 H1 LEU 1 H LEU 1 0.915 2.897 -1.199 2 HA LEU 1 HA LEU 1 0.603 2.598 -3.474 3 HB2 LEU 1 2HB LEU 1 2.899 2.538 -4.599 4 HB3 LEU 1 3HB LEU 1 2.527 3.896 -3.538 5 HG LEU 1 HG LEU 1 3.896 1.670 -2.208 6 HD11 LEU 1 1HD1 LEU 1 6.046 2.903 -3.371 7 HD12 LEU 1 2HD1 LEU 1 4.924 2.738 -4.720 8 HD13 LEU 1 3HD1 LEU 1 5.416 1.314 -3.804 9 HD21 LEU 1 1HD2 LEU 1 3.364 4.118 -1.463 10 HD22 LEU 1 2HD2 LEU 1 4.840 4.497 -2.352 11 HD23 LEU 1 3HD2 LEU 1 4.889 3.359 -1.005 12 H GLY 2 H GLY 2 0.309 1.135 -5.110 13 HA2 GLY 2 2HA GLY 2 0.821 -0.874 -6.295 14 HA3 GLY 2 3HA GLY 2 1.574 -1.503 -4.838 15 H GLN 3 H GLN 3 -1.546 -0.639 -6.266 16 HA GLN 3 HA GLN 3 -3.339 -1.492 -4.433 17 HB2 GLN 3 2HB GLN 3 -3.476 -2.200 -7.368 18 HB3 GLN 3 3HB GLN 3 -4.836 -2.094 -6.257 19 HG2 GLN 3 2HG GLN 3 -4.439 0.293 -5.983 20 HG3 GLN 3 3HG GLN 3 -3.060 0.194 -7.076 21 HE21 GLN 3 1HE2 GLN 3 -6.373 -1.077 -7.149 22 HE22 GLN 3 2HE2 GLN 3 -6.769 -0.430 -8.701 23 H GLN 4 H GLN 4 -3.258 -3.220 -3.159 24 HA GLN 4 HA GLN 4 -1.853 -5.558 -3.569 25 HB2 GLN 4 2HB GLN 4 -3.513 -6.560 -1.898 26 HB3 GLN 4 3HB GLN 4 -2.598 -5.151 -1.379 27 HG2 GLN 4 2HG GLN 4 -4.433 -3.761 -1.456 28 HG3 GLN 4 3HG GLN 4 -5.299 -4.794 -2.592 29 HE21 GLN 4 1HE2 GLN 4 -6.812 -6.083 -1.807 30 HE22 GLN 4 2HE2 GLN 4 -7.029 -6.489 -0.142 31 H GLN 5 H GLN 5 -2.446 -7.675 -4.181 32 HA GLN 5 HA GLN 5 -4.555 -7.731 -6.211 33 HB2 GLN 5 2HB GLN 5 -2.384 -8.439 -6.992 34 HB3 GLN 5 3HB GLN 5 -2.235 -9.588 -5.669 35 HG2 GLN 5 2HG GLN 5 -4.234 -10.776 -6.605 36 HG3 GLN 5 3HG GLN 5 -4.113 -9.719 -8.010 37 HE21 GLN 5 1HE2 GLN 5 -1.971 -11.732 -6.016 38 HE22 GLN 5 2HE2 GLN 5 -1.134 -12.455 -7.344 39 HA PRO 6 HA PRO 6 -7.213 -10.094 -3.602 40 HB2 PRO 6 2HB PRO 6 -8.862 -11.074 -5.523 41 HB3 PRO 6 3HB PRO 6 -8.917 -9.395 -4.975 42 HG2 PRO 6 2HG PRO 6 -7.609 -10.551 -7.406 43 HG3 PRO 6 3HG PRO 6 -8.566 -9.067 -7.250 44 HD2 PRO 6 2HD PRO 6 -5.860 -9.053 -7.327 45 HD3 PRO 6 3HD PRO 6 -6.795 -7.863 -6.398 46 H PHE 7 H PHE 7 -7.236 -12.124 -2.808 47 HA PHE 7 HA PHE 7 -5.399 -14.039 -3.501 48 HB2 PHE 7 2HB PHE 7 -7.008 -15.667 -2.325 49 HB3 PHE 7 3HB PHE 7 -6.419 -14.290 -1.400 50 HD1 PHE 7 HD1 PHE 7 -9.259 -15.141 -3.668 51 HD2 PHE 7 HD2 PHE 7 -7.952 -13.142 -0.145 52 HE1 PHE 7 HE1 PHE 7 -11.579 -14.480 -3.187 53 HE2 PHE 7 HE2 PHE 7 -10.271 -12.478 0.342 54 HZ PHE 7 HZ PHE 7 -12.088 -13.147 -1.179 55 HA PRO 8 HA PRO 8 -6.783 -16.145 -7.092 56 HB2 PRO 8 2HB PRO 8 -6.040 -18.700 -6.557 57 HB3 PRO 8 3HB PRO 8 -4.880 -17.424 -6.943 58 HG2 PRO 8 2HG PRO 8 -5.669 -18.522 -4.272 59 HG3 PRO 8 3HG PRO 8 -4.055 -18.111 -4.880 60 HD2 PRO 8 2HD PRO 8 -5.450 -16.478 -3.231 61 HD3 PRO 8 3HD PRO 8 -4.334 -15.861 -4.466 62 HA PRO 9 HA PRO 9 -10.715 -18.042 -6.573 63 HB2 PRO 9 2HB PRO 9 -10.755 -19.894 -8.558 64 HB3 PRO 9 3HB PRO 9 -10.866 -18.157 -8.863 65 HG2 PRO 9 2HG PRO 9 -8.490 -19.967 -9.061 66 HG3 PRO 9 3HG PRO 9 -9.010 -18.679 -10.163 67 HD2 PRO 9 2HD PRO 9 -7.032 -18.331 -8.348 68 HD3 PRO 9 3HD PRO 9 -8.115 -17.015 -8.844 69 H GLN 10 H GLN 10 -11.683 -19.652 -5.438 70 HA GLN 10 HA GLN 10 -11.935 -21.519 -4.165 71 HB2 GLN 10 2HB GLN 10 -10.654 -22.390 -6.571 72 HB3 GLN 10 3HB GLN 10 -10.003 -23.308 -5.220 73 HG2 GLN 10 2HG GLN 10 -11.950 -24.370 -6.318 74 HG3 GLN 10 3HG GLN 10 -12.176 -24.068 -4.596 75 HE21 GLN 10 1HE2 GLN 10 -14.442 -24.254 -5.011 76 HE22 GLN 10 2HE2 GLN 10 -15.321 -22.914 -5.655 77 H GLN 11 H GLN 11 -11.171 -20.880 -2.208 78 HA GLN 11 HA GLN 11 -8.569 -20.313 -1.484 79 HB2 GLN 11 2HB GLN 11 -9.263 -20.484 0.773 80 HB3 GLN 11 3HB GLN 11 -10.680 -19.956 -0.125 81 HG2 GLN 11 2HG GLN 11 -11.425 -22.343 -0.181 82 HG3 GLN 11 3HG GLN 11 -10.098 -22.714 0.919 83 HE21 GLN 11 1HE2 GLN 11 -10.251 -22.157 3.046 84 HE22 GLN 11 2HE2 GLN 11 -11.689 -21.521 3.764 85 HA PRO 12 HA PRO 12 -6.357 -24.101 -1.356 86 HB2 PRO 12 2HB PRO 12 -4.654 -23.637 0.706 87 HB3 PRO 12 3HB PRO 12 -4.491 -22.853 -0.870 88 HG2 PRO 12 2HG PRO 12 -5.697 -21.793 1.657 89 HG3 PRO 12 3HG PRO 12 -4.624 -20.980 0.503 90 HD2 PRO 12 2HD PRO 12 -7.303 -20.587 0.529 91 HD3 PRO 12 3HD PRO 12 -6.343 -20.521 -0.963 92 H TYR 13 H TYR 13 -7.715 -25.740 -0.750 93 HA TYR 13 HA TYR 13 -8.839 -27.219 0.578 94 HB2 TYR 13 2HB TYR 13 -6.901 -28.256 1.202 95 HB3 TYR 13 3HB TYR 13 -6.188 -26.778 1.838 96 HD1 TYR 13 HD1 TYR 13 -8.544 -29.526 2.583 97 HD2 TYR 13 HD2 TYR 13 -6.359 -26.226 4.145 98 HE1 TYR 13 HE1 TYR 13 -9.077 -30.262 4.869 99 HE2 TYR 13 HE2 TYR 13 -6.884 -26.954 6.435 100 HH TYR 13 HH TYR 13 -9.130 -29.559 7.064 Start of MODEL 8 1 H1 LEU 1 H LEU 1 2.629 -2.365 -5.994 2 HA LEU 1 HA LEU 1 2.224 -3.387 -3.896 3 HB2 LEU 1 2HB LEU 1 4.188 -1.253 -4.026 4 HB3 LEU 1 3HB LEU 1 3.622 -1.537 -2.381 5 HG LEU 1 HG LEU 1 5.700 -2.770 -2.995 6 HD11 LEU 1 1HD1 LEU 1 4.852 -3.841 -1.211 7 HD12 LEU 1 2HD1 LEU 1 4.473 -5.100 -2.385 8 HD13 LEU 1 3HD1 LEU 1 3.234 -3.941 -1.906 9 HD21 LEU 1 1HD2 LEU 1 4.383 -3.319 -5.337 10 HD22 LEU 1 2HD2 LEU 1 4.258 -4.843 -4.458 11 HD23 LEU 1 3HD2 LEU 1 5.842 -4.128 -4.764 12 H GLY 2 H GLY 2 0.633 -3.506 -2.460 13 HA2 GLY 2 2HA GLY 2 -0.484 -2.583 -0.525 14 HA3 GLY 2 3HA GLY 2 -0.391 -1.002 -1.287 15 H GLN 3 H GLN 3 -1.384 -1.362 -3.750 16 HA GLN 3 HA GLN 3 -4.072 -1.168 -3.548 17 HB2 GLN 3 2HB GLN 3 -2.656 -2.499 -5.863 18 HB3 GLN 3 3HB GLN 3 -4.235 -1.726 -5.913 19 HG2 GLN 3 2HG GLN 3 -3.208 0.427 -5.422 20 HG3 GLN 3 3HG GLN 3 -1.623 -0.341 -5.344 21 HE21 GLN 3 1HE2 GLN 3 -3.120 1.674 -7.165 22 HE22 GLN 3 2HE2 GLN 3 -2.686 1.148 -8.752 23 H GLN 4 H GLN 4 -5.635 -2.451 -2.848 24 HA GLN 4 HA GLN 4 -5.340 -5.067 -2.026 25 HB2 GLN 4 2HB GLN 4 -7.887 -5.169 -2.258 26 HB3 GLN 4 3HB GLN 4 -7.222 -3.918 -1.217 27 HG2 GLN 4 2HG GLN 4 -7.900 -2.238 -2.564 28 HG3 GLN 4 3HG GLN 4 -7.675 -3.180 -4.037 29 HE21 GLN 4 1HE2 GLN 4 -9.742 -2.950 -1.175 30 HE22 GLN 4 2HE2 GLN 4 -11.200 -3.420 -1.974 31 H GLN 5 H GLN 5 -4.851 -6.820 -3.154 32 HA GLN 5 HA GLN 5 -5.631 -6.981 -5.971 33 HB2 GLN 5 2HB GLN 5 -3.286 -7.364 -5.553 34 HB3 GLN 5 3HB GLN 5 -3.657 -8.580 -4.337 35 HG2 GLN 5 2HG GLN 5 -4.732 -9.929 -6.156 36 HG3 GLN 5 3HG GLN 5 -4.076 -8.765 -7.306 37 HE21 GLN 5 1HE2 GLN 5 -2.289 -9.425 -8.233 38 HE22 GLN 5 2HE2 GLN 5 -1.068 -10.416 -7.517 39 HA PRO 6 HA PRO 6 -8.874 -9.831 -5.062 40 HB2 PRO 6 2HB PRO 6 -9.188 -10.860 -7.555 41 HB3 PRO 6 3HB PRO 6 -9.745 -9.244 -7.106 42 HG2 PRO 6 2HG PRO 6 -7.250 -10.054 -8.549 43 HG3 PRO 6 3HG PRO 6 -8.356 -8.712 -8.893 44 HD2 PRO 6 2HD PRO 6 -6.005 -8.366 -7.596 45 HD3 PRO 6 3HD PRO 6 -7.435 -7.369 -7.262 46 H PHE 7 H PHE 7 -8.333 -11.556 -3.859 47 HA PHE 7 HA PHE 7 -6.224 -13.283 -4.160 48 HB2 PHE 7 2HB PHE 7 -7.732 -14.962 -2.924 49 HB3 PHE 7 3HB PHE 7 -7.402 -13.425 -2.132 50 HD1 PHE 7 HD1 PHE 7 -9.913 -15.136 -4.272 51 HD2 PHE 7 HD2 PHE 7 -9.152 -12.104 -1.383 52 HE1 PHE 7 HE1 PHE 7 -12.331 -14.732 -4.065 53 HE2 PHE 7 HE2 PHE 7 -11.569 -11.696 -1.171 54 HZ PHE 7 HZ PHE 7 -13.162 -13.010 -2.512 55 HA PRO 8 HA PRO 8 -6.999 -15.942 -7.562 56 HB2 PRO 8 2HB PRO 8 -6.012 -18.303 -6.657 57 HB3 PRO 8 3HB PRO 8 -4.981 -16.939 -7.103 58 HG2 PRO 8 2HG PRO 8 -5.885 -17.822 -4.389 59 HG3 PRO 8 3HG PRO 8 -4.280 -17.277 -4.911 60 HD2 PRO 8 2HD PRO 8 -6.010 -15.662 -3.594 61 HD3 PRO 8 3HD PRO 8 -4.863 -15.049 -4.803 62 HA PRO 9 HA PRO 9 -10.709 -18.262 -7.130 63 HB2 PRO 9 2HB PRO 9 -10.340 -20.315 -8.866 64 HB3 PRO 9 3HB PRO 9 -10.627 -18.652 -9.392 65 HG2 PRO 9 2HG PRO 9 -8.045 -20.150 -9.173 66 HG3 PRO 9 3HG PRO 9 -8.607 -19.073 -10.464 67 HD2 PRO 9 2HD PRO 9 -6.866 -18.270 -8.553 68 HD3 PRO 9 3HD PRO 9 -8.046 -17.169 -9.294 69 H GLN 10 H GLN 10 -11.347 -19.501 -5.491 70 HA GLN 10 HA GLN 10 -11.448 -21.152 -3.930 71 HB2 GLN 10 2HB GLN 10 -11.318 -22.505 -6.133 72 HB3 GLN 10 3HB GLN 10 -9.658 -22.837 -5.658 73 HG2 GLN 10 2HG GLN 10 -11.137 -24.643 -5.000 74 HG3 GLN 10 3HG GLN 10 -10.435 -23.851 -3.590 75 HE21 GLN 10 1HE2 GLN 10 -11.843 -23.781 -2.004 76 HE22 GLN 10 2HE2 GLN 10 -13.529 -23.430 -2.148 77 H GLN 11 H GLN 11 -10.357 -20.326 -2.220 78 HA GLN 11 HA GLN 11 -7.653 -19.807 -2.000 79 HB2 GLN 11 2HB GLN 11 -7.974 -19.653 0.341 80 HB3 GLN 11 3HB GLN 11 -9.501 -19.169 -0.384 81 HG2 GLN 11 2HG GLN 11 -10.380 -21.434 0.031 82 HG3 GLN 11 3HG GLN 11 -8.867 -21.846 0.835 83 HE21 GLN 11 1HE2 GLN 11 -11.178 -22.129 2.194 84 HE22 GLN 11 2HE2 GLN 11 -11.314 -20.919 3.419 85 HA PRO 12 HA PRO 12 -5.572 -23.661 -1.715 86 HB2 PRO 12 2HB PRO 12 -3.540 -23.028 -0.029 87 HB3 PRO 12 3HB PRO 12 -3.612 -22.461 -1.702 88 HG2 PRO 12 2HG PRO 12 -4.354 -21.026 0.818 89 HG3 PRO 12 3HG PRO 12 -3.460 -20.424 -0.590 90 HD2 PRO 12 2HD PRO 12 -6.085 -19.890 -0.194 91 HD3 PRO 12 3HD PRO 12 -5.380 -20.066 -1.814 92 H TYR 13 H TYR 13 -5.817 -25.494 -0.581 93 HA TYR 13 HA TYR 13 -6.596 -26.899 1.041 94 HB2 TYR 13 2HB TYR 13 -4.591 -26.879 2.135 95 HB3 TYR 13 3HB TYR 13 -4.590 -25.130 2.329 96 HD1 TYR 13 HD1 TYR 13 -5.582 -24.092 4.266 97 HD2 TYR 13 HD2 TYR 13 -5.758 -28.311 3.746 98 HE1 TYR 13 HE1 TYR 13 -6.279 -24.346 6.611 99 HE2 TYR 13 HE2 TYR 13 -6.456 -28.576 6.089 100 HH TYR 13 HH TYR 13 -7.701 -26.952 7.834 Start of MODEL 9 1 H1 LEU 1 H LEU 1 3.971 0.878 -2.064 2 HA LEU 1 HA LEU 1 1.888 1.940 -2.906 3 HB2 LEU 1 2HB LEU 1 3.978 3.354 -4.376 4 HB3 LEU 1 3HB LEU 1 2.637 2.830 -5.393 5 HG LEU 1 HG LEU 1 1.383 4.002 -3.228 6 HD11 LEU 1 1HD1 LEU 1 3.530 5.918 -4.047 7 HD12 LEU 1 2HD1 LEU 1 3.768 4.827 -2.682 8 HD13 LEU 1 3HD1 LEU 1 2.439 5.985 -2.663 9 HD21 LEU 1 1HD2 LEU 1 1.050 5.905 -4.880 10 HD22 LEU 1 2HD2 LEU 1 0.565 4.295 -5.414 11 HD23 LEU 1 3HD2 LEU 1 2.085 4.991 -5.977 12 H GLY 2 H GLY 2 0.787 0.248 -3.627 13 HA2 GLY 2 2HA GLY 2 1.032 -0.942 -6.104 14 HA3 GLY 2 3HA GLY 2 2.035 -1.902 -5.027 15 H GLN 3 H GLN 3 -1.231 -0.851 -5.734 16 HA GLN 3 HA GLN 3 -2.740 -1.876 -3.740 17 HB2 GLN 3 2HB GLN 3 -3.326 -2.300 -6.674 18 HB3 GLN 3 3HB GLN 3 -4.501 -2.302 -5.366 19 HG2 GLN 3 2HG GLN 3 -4.036 0.048 -4.930 20 HG3 GLN 3 3HG GLN 3 -2.838 0.055 -6.223 21 HE21 GLN 3 1HE2 GLN 3 -6.001 0.685 -5.439 22 HE22 GLN 3 2HE2 GLN 3 -6.671 0.745 -7.030 23 H GLN 4 H GLN 4 -2.603 -3.731 -2.676 24 HA GLN 4 HA GLN 4 -1.257 -6.009 -3.453 25 HB2 GLN 4 2HB GLN 4 -2.756 -7.182 -1.742 26 HB3 GLN 4 3HB GLN 4 -1.788 -5.829 -1.172 27 HG2 GLN 4 2HG GLN 4 -4.435 -5.049 -2.112 28 HG3 GLN 4 3HG GLN 4 -4.467 -6.170 -0.752 29 HE21 GLN 4 1HE2 GLN 4 -2.845 -5.570 1.016 30 HE22 GLN 4 2HE2 GLN 4 -2.808 -3.903 1.468 31 H GLN 5 H GLN 5 -1.915 -8.053 -4.220 32 HA GLN 5 HA GLN 5 -4.131 -7.904 -6.107 33 HB2 GLN 5 2HB GLN 5 -2.037 -8.707 -6.996 34 HB3 GLN 5 3HB GLN 5 -1.922 -9.930 -5.738 35 HG2 GLN 5 2HG GLN 5 -4.022 -10.939 -6.662 36 HG3 GLN 5 3HG GLN 5 -3.877 -9.820 -8.017 37 HE21 GLN 5 1HE2 GLN 5 -2.345 -12.492 -6.342 38 HE22 GLN 5 2HE2 GLN 5 -1.392 -13.031 -7.677 39 HA PRO 6 HA PRO 6 -6.855 -10.225 -3.527 40 HB2 PRO 6 2HB PRO 6 -8.624 -10.997 -5.436 41 HB3 PRO 6 3HB PRO 6 -8.552 -9.348 -4.804 42 HG2 PRO 6 2HG PRO 6 -7.399 -10.459 -7.334 43 HG3 PRO 6 3HG PRO 6 -8.252 -8.927 -7.071 44 HD2 PRO 6 2HD PRO 6 -5.554 -9.081 -7.242 45 HD3 PRO 6 3HD PRO 6 -6.380 -7.884 -6.223 46 H PHE 7 H PHE 7 -6.802 -12.253 -2.782 47 HA PHE 7 HA PHE 7 -5.184 -14.245 -3.747 48 HB2 PHE 7 2HB PHE 7 -6.727 -15.816 -2.414 49 HB3 PHE 7 3HB PHE 7 -5.946 -14.503 -1.540 50 HD1 PHE 7 HD1 PHE 7 -9.113 -15.312 -3.322 51 HD2 PHE 7 HD2 PHE 7 -7.219 -13.124 -0.201 52 HE1 PHE 7 HE1 PHE 7 -11.312 -14.537 -2.536 53 HE2 PHE 7 HE2 PHE 7 -9.415 -12.347 0.591 54 HZ PHE 7 HZ PHE 7 -11.465 -13.054 -0.576 55 HA PRO 8 HA PRO 8 -7.130 -16.159 -7.182 56 HB2 PRO 8 2HB PRO 8 -6.479 -18.768 -6.806 57 HB3 PRO 8 3HB PRO 8 -5.303 -17.547 -7.306 58 HG2 PRO 8 2HG PRO 8 -5.815 -18.681 -4.583 59 HG3 PRO 8 3HG PRO 8 -4.268 -18.342 -5.381 60 HD2 PRO 8 2HD PRO 8 -5.345 -16.686 -3.530 61 HD3 PRO 8 3HD PRO 8 -4.359 -16.094 -4.882 62 HA PRO 9 HA PRO 9 -11.072 -17.849 -6.212 63 HB2 PRO 9 2HB PRO 9 -11.471 -19.634 -8.218 64 HB3 PRO 9 3HB PRO 9 -11.516 -17.884 -8.466 65 HG2 PRO 9 2HG PRO 9 -9.295 -19.818 -9.007 66 HG3 PRO 9 3HG PRO 9 -9.872 -18.469 -10.004 67 HD2 PRO 9 2HD PRO 9 -7.664 -18.289 -8.447 68 HD3 PRO 9 3HD PRO 9 -8.720 -16.899 -8.770 69 H GLN 10 H GLN 10 -12.135 -19.586 -5.252 70 HA GLN 10 HA GLN 10 -12.349 -21.489 -4.026 71 HB2 GLN 10 2HB GLN 10 -11.299 -22.269 -6.493 72 HB3 GLN 10 3HB GLN 10 -10.305 -23.099 -5.304 73 HG2 GLN 10 2HG GLN 10 -11.975 -24.455 -4.652 74 HG3 GLN 10 3HG GLN 10 -13.205 -23.204 -4.831 75 HE21 GLN 10 1HE2 GLN 10 -11.005 -25.146 -6.826 76 HE22 GLN 10 2HE2 GLN 10 -12.144 -25.450 -8.089 77 H GLN 11 H GLN 11 -11.573 -20.923 -2.053 78 HA GLN 11 HA GLN 11 -8.966 -20.361 -1.335 79 HB2 GLN 11 2HB GLN 11 -9.637 -20.618 0.921 80 HB3 GLN 11 3HB GLN 11 -11.066 -20.069 0.056 81 HG2 GLN 11 2HG GLN 11 -11.717 -22.520 -0.106 82 HG3 GLN 11 3HG GLN 11 -10.455 -22.816 1.089 83 HE21 GLN 11 1HE2 GLN 11 -13.606 -22.631 0.866 84 HE22 GLN 11 2HE2 GLN 11 -14.020 -21.895 2.373 85 HA PRO 12 HA PRO 12 -6.729 -24.136 -1.365 86 HB2 PRO 12 2HB PRO 12 -5.008 -23.735 0.696 87 HB3 PRO 12 3HB PRO 12 -4.866 -22.894 -0.852 88 HG2 PRO 12 2HG PRO 12 -6.054 -21.935 1.723 89 HG3 PRO 12 3HG PRO 12 -4.998 -21.073 0.588 90 HD2 PRO 12 2HD PRO 12 -7.679 -20.699 0.654 91 HD3 PRO 12 3HD PRO 12 -6.734 -20.573 -0.843 92 H TYR 13 H TYR 13 -7.798 -25.939 -0.794 93 HA TYR 13 HA TYR 13 -8.860 -27.520 0.465 94 HB2 TYR 13 2HB TYR 13 -6.882 -28.324 1.274 95 HB3 TYR 13 3HB TYR 13 -6.393 -26.767 1.933 96 HD1 TYR 13 HD1 TYR 13 -8.369 -29.807 2.558 97 HD2 TYR 13 HD2 TYR 13 -6.936 -26.149 4.190 98 HE1 TYR 13 HE1 TYR 13 -9.010 -30.567 4.807 99 HE2 TYR 13 HE2 TYR 13 -7.573 -26.899 6.444 100 HH TYR 13 HH TYR 13 -9.464 -28.716 7.313 Start of MODEL 10 1 H1 LEU 1 H LEU 1 0.648 1.330 -8.077 2 HA LEU 1 HA LEU 1 1.309 -0.369 -6.277 3 HB2 LEU 1 2HB LEU 1 2.383 2.347 -6.686 4 HB3 LEU 1 3HB LEU 1 2.895 1.531 -5.210 5 HG LEU 1 HG LEU 1 3.212 0.343 -7.961 6 HD11 LEU 1 1HD1 LEU 1 5.383 1.167 -8.086 7 HD12 LEU 1 2HD1 LEU 1 5.422 1.602 -6.378 8 HD13 LEU 1 3HD1 LEU 1 4.452 2.548 -7.507 9 HD21 LEU 1 1HD2 LEU 1 3.953 -1.465 -6.908 10 HD22 LEU 1 2HD2 LEU 1 3.429 -0.743 -5.386 11 HD23 LEU 1 3HD2 LEU 1 5.082 -0.503 -5.953 12 H GLY 2 H GLY 2 -0.401 -0.833 -4.850 13 HA2 GLY 2 2HA GLY 2 -0.118 -0.028 -2.230 14 HA3 GLY 2 3HA GLY 2 -1.323 1.053 -2.913 15 H GLN 3 H GLN 3 -3.105 -0.136 -4.167 16 HA GLN 3 HA GLN 3 -4.699 -1.564 -2.517 17 HB2 GLN 3 2HB GLN 3 -4.513 -2.040 -5.495 18 HB3 GLN 3 3HB GLN 3 -5.903 -2.375 -4.471 19 HG2 GLN 3 2HG GLN 3 -6.151 0.003 -4.012 20 HG3 GLN 3 3HG GLN 3 -4.744 0.349 -5.016 21 HE21 GLN 3 1HE2 GLN 3 -8.097 -0.336 -4.949 22 HE22 GLN 3 2HE2 GLN 3 -8.386 -0.219 -6.648 23 H GLN 4 H GLN 4 -4.432 -3.395 -1.442 24 HA GLN 4 HA GLN 4 -2.390 -5.218 -1.771 25 HB2 GLN 4 2HB GLN 4 -3.941 -6.814 -0.507 26 HB3 GLN 4 3HB GLN 4 -3.541 -5.290 0.274 27 HG2 GLN 4 2HG GLN 4 -5.662 -4.610 0.290 28 HG3 GLN 4 3HG GLN 4 -5.943 -5.146 -1.365 29 HE21 GLN 4 1HE2 GLN 4 -5.753 -6.226 1.976 30 HE22 GLN 4 2HE2 GLN 4 -6.797 -7.589 1.789 31 H GLN 5 H GLN 5 -2.312 -7.362 -2.597 32 HA GLN 5 HA GLN 5 -3.554 -7.628 -5.157 33 HB2 GLN 5 2HB GLN 5 -1.301 -8.438 -4.852 34 HB3 GLN 5 3HB GLN 5 -1.816 -9.510 -3.556 35 HG2 GLN 5 2HG GLN 5 -3.243 -10.699 -5.240 36 HG3 GLN 5 3HG GLN 5 -2.454 -9.730 -6.484 37 HE21 GLN 5 1HE2 GLN 5 -0.009 -9.798 -6.374 38 HE22 GLN 5 2HE2 GLN 5 0.706 -11.347 -6.103 39 HA PRO 6 HA PRO 6 -7.212 -9.763 -3.923 40 HB2 PRO 6 2HB PRO 6 -7.875 -10.811 -6.338 41 HB3 PRO 6 3HB PRO 6 -8.086 -9.102 -5.943 42 HG2 PRO 6 2HG PRO 6 -5.889 -10.434 -7.479 43 HG3 PRO 6 3HG PRO 6 -6.740 -8.918 -7.830 44 HD2 PRO 6 2HD PRO 6 -4.287 -8.979 -6.685 45 HD3 PRO 6 3HD PRO 6 -5.478 -7.713 -6.324 46 H PHE 7 H PHE 7 -7.533 -11.688 -2.999 47 HA PHE 7 HA PHE 7 -5.684 -13.708 -2.862 48 HB2 PHE 7 2HB PHE 7 -7.694 -15.181 -2.219 49 HB3 PHE 7 3HB PHE 7 -7.388 -13.747 -1.245 50 HD1 PHE 7 HD1 PHE 7 -9.430 -14.986 -4.088 51 HD2 PHE 7 HD2 PHE 7 -9.063 -12.175 -0.913 52 HE1 PHE 7 HE1 PHE 7 -11.730 -14.219 -4.506 53 HE2 PHE 7 HE2 PHE 7 -11.363 -11.404 -1.325 54 HZ PHE 7 HZ PHE 7 -12.700 -12.427 -3.123 55 HA PRO 8 HA PRO 8 -5.844 -16.073 -6.553 56 HB2 PRO 8 2HB PRO 8 -5.484 -18.595 -5.613 57 HB3 PRO 8 3HB PRO 8 -4.191 -17.390 -5.653 58 HG2 PRO 8 2HG PRO 8 -5.926 -18.231 -3.363 59 HG3 PRO 8 3HG PRO 8 -4.181 -17.922 -3.389 60 HD2 PRO 8 2HD PRO 8 -5.967 -16.113 -2.457 61 HD3 PRO 8 3HD PRO 8 -4.456 -15.637 -3.259 62 HA PRO 9 HA PRO 9 -9.812 -17.803 -7.326 63 HB2 PRO 9 2HB PRO 9 -9.263 -19.817 -9.062 64 HB3 PRO 9 3HB PRO 9 -9.159 -18.109 -9.507 65 HG2 PRO 9 2HG PRO 9 -6.973 -19.999 -8.726 66 HG3 PRO 9 3HG PRO 9 -6.999 -18.796 -10.028 67 HD2 PRO 9 2HD PRO 9 -5.764 -18.352 -7.660 68 HD3 PRO 9 3HD PRO 9 -6.527 -17.051 -8.597 69 H GLN 10 H GLN 10 -10.705 -18.755 -5.565 70 HA GLN 10 HA GLN 10 -11.389 -20.379 -4.128 71 HB2 GLN 10 2HB GLN 10 -11.506 -21.532 -6.522 72 HB3 GLN 10 3HB GLN 10 -10.244 -22.541 -5.828 73 HG2 GLN 10 2HG GLN 10 -11.778 -23.751 -4.803 74 HG3 GLN 10 3HG GLN 10 -12.307 -22.327 -3.909 75 HE21 GLN 10 1HE2 GLN 10 -13.050 -24.569 -6.358 76 HE22 GLN 10 2HE2 GLN 10 -14.563 -23.894 -6.844 77 H GLN 11 H GLN 11 -10.093 -20.047 -2.380 78 HA GLN 11 HA GLN 11 -7.379 -20.578 -2.157 79 HB2 GLN 11 2HB GLN 11 -7.636 -20.344 0.184 80 HB3 GLN 11 3HB GLN 11 -8.856 -19.303 -0.537 81 HG2 GLN 11 2HG GLN 11 -10.221 -21.644 -0.238 82 HG3 GLN 11 3HG GLN 11 -9.156 -21.654 1.167 83 HE21 GLN 11 1HE2 GLN 11 -11.237 -19.399 -0.618 84 HE22 GLN 11 2HE2 GLN 11 -11.922 -18.654 0.783 85 HA PRO 12 HA PRO 12 -6.936 -24.939 -1.928 86 HB2 PRO 12 2HB PRO 12 -4.832 -25.156 -0.227 87 HB3 PRO 12 3HB PRO 12 -4.667 -24.582 -1.891 88 HG2 PRO 12 2HG PRO 12 -4.824 -23.007 0.650 89 HG3 PRO 12 3HG PRO 12 -3.755 -22.775 -0.746 90 HD2 PRO 12 2HD PRO 12 -5.978 -21.280 -0.349 91 HD3 PRO 12 3HD PRO 12 -5.380 -21.691 -1.969 92 H TYR 13 H TYR 13 -8.458 -26.114 -0.933 93 HA TYR 13 HA TYR 13 -9.797 -26.995 0.693 94 HB2 TYR 13 2HB TYR 13 -8.162 -28.441 1.367 95 HB3 TYR 13 3HB TYR 13 -7.009 -27.154 1.699 96 HD1 TYR 13 HD1 TYR 13 -9.868 -29.045 3.047 97 HD2 TYR 13 HD2 TYR 13 -6.846 -26.168 3.877 98 HE1 TYR 13 HE1 TYR 13 -10.338 -29.254 5.452 99 HE2 TYR 13 HE2 TYR 13 -7.307 -26.369 6.285 100 HH TYR 13 HH TYR 13 -10.055 -28.057 7.494 Start of MODEL 11 1 H1 LEU 1 H LEU 1 4.382 1.645 -1.225 2 HA LEU 1 HA LEU 1 1.599 1.276 -1.440 3 HB2 LEU 1 2HB LEU 1 3.871 1.584 -3.244 4 HB3 LEU 1 3HB LEU 1 2.595 0.560 -3.901 5 HG LEU 1 HG LEU 1 2.308 2.840 -4.651 6 HD11 LEU 1 1HD1 LEU 1 0.195 2.433 -2.568 7 HD12 LEU 1 2HD1 LEU 1 0.342 1.338 -3.942 8 HD13 LEU 1 3HD1 LEU 1 0.036 3.053 -4.211 9 HD21 LEU 1 1HD2 LEU 1 3.416 4.101 -2.978 10 HD22 LEU 1 2HD2 LEU 1 2.347 3.494 -1.713 11 HD23 LEU 1 3HD2 LEU 1 1.723 4.596 -2.942 12 H GLY 2 H GLY 2 0.352 -0.481 -2.016 13 HA2 GLY 2 2HA GLY 2 1.530 -3.030 -2.643 14 HA3 GLY 2 3HA GLY 2 0.887 -2.957 -1.009 15 H GLN 3 H GLN 3 -0.109 -2.074 -4.319 16 HA GLN 3 HA GLN 3 -2.798 -1.963 -4.070 17 HB2 GLN 3 2HB GLN 3 -1.379 -3.425 -6.303 18 HB3 GLN 3 3HB GLN 3 -2.987 -2.717 -6.378 19 HG2 GLN 3 2HG GLN 3 -2.034 -0.495 -6.085 20 HG3 GLN 3 3HG GLN 3 -0.420 -1.196 -5.984 21 HE21 GLN 3 1HE2 GLN 3 -0.747 0.682 -7.813 22 HE22 GLN 3 2HE2 GLN 3 -0.823 0.018 -9.406 23 H GLN 4 H GLN 4 -4.110 -3.236 -2.942 24 HA GLN 4 HA GLN 4 -3.669 -5.840 -2.148 25 HB2 GLN 4 2HB GLN 4 -6.217 -5.945 -1.926 26 HB3 GLN 4 3HB GLN 4 -5.381 -4.679 -1.036 27 HG2 GLN 4 2HG GLN 4 -6.283 -3.937 -3.732 28 HG3 GLN 4 3HG GLN 4 -7.561 -4.281 -2.568 29 HE21 GLN 4 1HE2 GLN 4 -6.709 -1.762 -3.842 30 HE22 GLN 4 2HE2 GLN 4 -6.385 -0.674 -2.540 31 H GLN 5 H GLN 5 -3.649 -7.737 -3.153 32 HA GLN 5 HA GLN 5 -4.611 -7.878 -5.907 33 HB2 GLN 5 2HB GLN 5 -2.351 -8.649 -5.562 34 HB3 GLN 5 3HB GLN 5 -2.871 -9.735 -4.280 35 HG2 GLN 5 2HG GLN 5 -4.245 -10.942 -5.994 36 HG3 GLN 5 3HG GLN 5 -3.450 -9.956 -7.220 37 HE21 GLN 5 1HE2 GLN 5 -3.332 -12.755 -7.117 38 HE22 GLN 5 2HE2 GLN 5 -1.695 -13.218 -6.816 39 HA PRO 6 HA PRO 6 -8.254 -10.081 -4.750 40 HB2 PRO 6 2HB PRO 6 -8.853 -11.132 -7.180 41 HB3 PRO 6 3HB PRO 6 -9.101 -9.428 -6.783 42 HG2 PRO 6 2HG PRO 6 -6.852 -10.716 -8.282 43 HG3 PRO 6 3HG PRO 6 -7.723 -9.214 -8.644 44 HD2 PRO 6 2HD PRO 6 -5.291 -9.236 -7.454 45 HD3 PRO 6 3HD PRO 6 -6.511 -7.993 -7.111 46 H PHE 7 H PHE 7 -8.083 -11.862 -3.538 47 HA PHE 7 HA PHE 7 -6.286 -13.922 -3.759 48 HB2 PHE 7 2HB PHE 7 -8.076 -15.298 -2.524 49 HB3 PHE 7 3HB PHE 7 -7.509 -13.819 -1.756 50 HD1 PHE 7 HD1 PHE 7 -10.242 -15.180 -3.866 51 HD2 PHE 7 HD2 PHE 7 -9.016 -12.167 -1.121 52 HE1 PHE 7 HE1 PHE 7 -12.562 -14.374 -3.720 53 HE2 PHE 7 HE2 PHE 7 -11.334 -11.357 -0.969 54 HZ PHE 7 HZ PHE 7 -13.111 -12.461 -2.269 55 HA PRO 8 HA PRO 8 -7.432 -16.491 -7.125 56 HB2 PRO 8 2HB PRO 8 -6.869 -18.963 -6.153 57 HB3 PRO 8 3HB PRO 8 -5.617 -17.799 -6.603 58 HG2 PRO 8 2HG PRO 8 -6.704 -18.457 -3.893 59 HG3 PRO 8 3HG PRO 8 -5.022 -18.199 -4.391 60 HD2 PRO 8 2HD PRO 8 -6.482 -16.290 -3.143 61 HD3 PRO 8 3HD PRO 8 -5.227 -15.904 -4.338 62 HA PRO 9 HA PRO 9 -11.484 -18.151 -6.729 63 HB2 PRO 9 2HB PRO 9 -11.431 -20.277 -8.417 64 HB3 PRO 9 3HB PRO 9 -11.427 -18.602 -8.981 65 HG2 PRO 9 2HG PRO 9 -9.135 -20.503 -8.677 66 HG3 PRO 9 3HG PRO 9 -9.486 -19.377 -10.001 67 HD2 PRO 9 2HD PRO 9 -7.671 -18.831 -8.068 68 HD3 PRO 9 3HD PRO 9 -8.637 -17.567 -8.855 69 H GLN 10 H GLN 10 -11.494 -18.852 -4.565 70 HA GLN 10 HA GLN 10 -11.732 -20.350 -2.871 71 HB2 GLN 10 2HB GLN 10 -12.599 -21.696 -5.243 72 HB3 GLN 10 3HB GLN 10 -11.770 -22.851 -4.209 73 HG2 GLN 10 2HG GLN 10 -14.088 -22.907 -3.680 74 HG3 GLN 10 3HG GLN 10 -13.237 -22.143 -2.337 75 HE21 GLN 10 1HE2 GLN 10 -15.413 -21.661 -5.003 76 HE22 GLN 10 2HE2 GLN 10 -15.973 -20.098 -4.528 77 H GLN 11 H GLN 11 -9.797 -20.232 -1.837 78 HA GLN 11 HA GLN 11 -7.341 -21.170 -2.738 79 HB2 GLN 11 2HB GLN 11 -6.548 -20.887 -0.525 80 HB3 GLN 11 3HB GLN 11 -7.801 -19.672 -0.743 81 HG2 GLN 11 2HG GLN 11 -9.392 -21.216 0.396 82 HG3 GLN 11 3HG GLN 11 -8.025 -22.273 0.747 83 HE21 GLN 11 1HE2 GLN 11 -9.816 -19.591 1.739 84 HE22 GLN 11 2HE2 GLN 11 -8.802 -19.084 3.042 85 HA PRO 12 HA PRO 12 -7.455 -25.545 -2.408 86 HB2 PRO 12 2HB PRO 12 -4.881 -26.080 -1.730 87 HB3 PRO 12 3HB PRO 12 -5.358 -25.546 -3.346 88 HG2 PRO 12 2HG PRO 12 -4.204 -23.953 -1.090 89 HG3 PRO 12 3HG PRO 12 -3.806 -23.898 -2.817 90 HD2 PRO 12 2HD PRO 12 -5.419 -22.073 -1.635 91 HD3 PRO 12 3HD PRO 12 -5.627 -22.579 -3.323 92 H TYR 13 H TYR 13 -7.358 -27.313 -0.937 93 HA TYR 13 HA TYR 13 -7.876 -28.251 1.080 94 HB2 TYR 13 2HB TYR 13 -5.671 -28.489 1.628 95 HB3 TYR 13 3HB TYR 13 -5.329 -26.772 1.449 96 HD1 TYR 13 HD1 TYR 13 -6.656 -29.347 3.727 97 HD2 TYR 13 HD2 TYR 13 -5.471 -25.281 3.316 98 HE1 TYR 13 HE1 TYR 13 -6.710 -29.090 6.173 99 HE2 TYR 13 HE2 TYR 13 -5.521 -25.014 5.760 100 HH TYR 13 HH TYR 13 -6.709 -27.568 7.865 Start of MODEL 12 1 H1 LEU 1 H LEU 1 4.027 2.247 -3.749 2 HA LEU 1 HA LEU 1 1.587 1.946 -2.481 3 HB2 LEU 1 2HB LEU 1 1.370 3.910 -4.402 4 HB3 LEU 1 3HB LEU 1 0.765 2.474 -5.226 5 HG LEU 1 HG LEU 1 -0.293 3.592 -2.629 6 HD11 LEU 1 1HD1 LEU 1 -0.685 4.712 -5.012 7 HD12 LEU 1 2HD1 LEU 1 -1.945 4.632 -3.781 8 HD13 LEU 1 3HD1 LEU 1 -1.922 3.458 -5.098 9 HD21 LEU 1 1HD2 LEU 1 -1.102 1.224 -4.305 10 HD22 LEU 1 2HD2 LEU 1 -2.144 1.950 -3.080 11 HD23 LEU 1 3HD2 LEU 1 -0.599 1.236 -2.614 12 H GLY 2 H GLY 2 1.532 -0.197 -2.436 13 HA2 GLY 2 2HA GLY 2 1.990 -1.651 -4.966 14 HA3 GLY 2 3HA GLY 2 2.707 -2.195 -3.456 15 H GLN 3 H GLN 3 -0.510 -1.259 -4.686 16 HA GLN 3 HA GLN 3 -2.143 -2.496 -2.925 17 HB2 GLN 3 2HB GLN 3 -2.507 -2.622 -5.922 18 HB3 GLN 3 3HB GLN 3 -3.774 -2.767 -4.712 19 HG2 GLN 3 2HG GLN 3 -3.379 -0.470 -4.006 20 HG3 GLN 3 3HG GLN 3 -2.090 -0.321 -5.199 21 HE21 GLN 3 1HE2 GLN 3 -5.368 -1.674 -5.304 22 HE22 GLN 3 2HE2 GLN 3 -5.899 -0.731 -6.650 23 H GLN 4 H GLN 4 -2.142 -4.458 -2.070 24 HA GLN 4 HA GLN 4 -0.673 -6.632 -2.919 25 HB2 GLN 4 2HB GLN 4 -2.341 -7.991 -1.532 26 HB3 GLN 4 3HB GLN 4 -1.471 -6.701 -0.711 27 HG2 GLN 4 2HG GLN 4 -3.338 -5.580 -0.250 28 HG3 GLN 4 3HG GLN 4 -3.995 -5.825 -1.867 29 HE21 GLN 4 1HE2 GLN 4 -5.347 -7.538 -2.258 30 HE22 GLN 4 2HE2 GLN 4 -6.008 -8.524 -1.003 31 H GLN 5 H GLN 5 -1.123 -8.513 -4.066 32 HA GLN 5 HA GLN 5 -2.952 -8.189 -6.251 33 HB2 GLN 5 2HB GLN 5 -0.773 -9.261 -6.571 34 HB3 GLN 5 3HB GLN 5 -1.232 -10.548 -5.464 35 HG2 GLN 5 2HG GLN 5 -1.664 -11.578 -7.437 36 HG3 GLN 5 3HG GLN 5 -3.231 -10.821 -7.158 37 HE21 GLN 5 1HE2 GLN 5 -2.274 -11.616 -9.672 38 HE22 GLN 5 2HE2 GLN 5 -2.072 -10.203 -10.646 39 HA PRO 6 HA PRO 6 -6.459 -10.133 -4.407 40 HB2 PRO 6 2HB PRO 6 -7.849 -10.635 -6.684 41 HB3 PRO 6 3HB PRO 6 -7.703 -9.018 -5.984 42 HG2 PRO 6 2HG PRO 6 -6.177 -10.246 -8.247 43 HG3 PRO 6 3HG PRO 6 -6.859 -8.615 -8.113 44 HD2 PRO 6 2HD PRO 6 -4.234 -9.134 -7.701 45 HD3 PRO 6 3HD PRO 6 -5.100 -7.848 -6.837 46 H PHE 7 H PHE 7 -6.056 -12.100 -3.557 47 HA PHE 7 HA PHE 7 -4.832 -14.269 -4.703 48 HB2 PHE 7 2HB PHE 7 -6.251 -15.641 -3.051 49 HB3 PHE 7 3HB PHE 7 -5.206 -14.390 -2.387 50 HD1 PHE 7 HD1 PHE 7 -6.079 -12.754 -0.995 51 HD2 PHE 7 HD2 PHE 7 -8.706 -15.026 -3.456 52 HE1 PHE 7 HE1 PHE 7 -8.013 -11.739 0.138 53 HE2 PHE 7 HE2 PHE 7 -10.644 -14.014 -2.328 54 HZ PHE 7 HZ PHE 7 -10.299 -12.368 -0.529 55 HA PRO 8 HA PRO 8 -7.536 -16.069 -7.653 56 HB2 PRO 8 2HB PRO 8 -7.076 -18.719 -7.283 57 HB3 PRO 8 3HB PRO 8 -5.899 -17.636 -8.036 58 HG2 PRO 8 2HG PRO 8 -6.018 -18.639 -5.218 59 HG3 PRO 8 3HG PRO 8 -4.615 -18.480 -6.291 60 HD2 PRO 8 2HD PRO 8 -5.181 -16.674 -4.353 61 HD3 PRO 8 3HD PRO 8 -4.402 -16.221 -5.883 62 HA PRO 9 HA PRO 9 -11.380 -17.327 -5.930 63 HB2 PRO 9 2HB PRO 9 -12.300 -19.116 -7.753 64 HB3 PRO 9 3HB PRO 9 -12.224 -17.378 -8.066 65 HG2 PRO 9 2HG PRO 9 -10.328 -19.538 -8.904 66 HG3 PRO 9 3HG PRO 9 -10.945 -18.166 -9.842 67 HD2 PRO 9 2HD PRO 9 -8.487 -18.167 -8.708 68 HD3 PRO 9 3HD PRO 9 -9.449 -16.688 -8.901 69 H GLN 10 H GLN 10 -12.388 -18.903 -4.692 70 HA GLN 10 HA GLN 10 -12.572 -20.755 -3.384 71 HB2 GLN 10 2HB GLN 10 -11.930 -21.702 -5.966 72 HB3 GLN 10 3HB GLN 10 -10.956 -22.634 -4.836 73 HG2 GLN 10 2HG GLN 10 -12.834 -23.915 -4.905 74 HG3 GLN 10 3HG GLN 10 -13.230 -22.858 -3.552 75 HE21 GLN 10 1HE2 GLN 10 -15.234 -22.171 -3.601 76 HE22 GLN 10 2HE2 GLN 10 -16.162 -21.816 -5.014 77 H GLN 11 H GLN 11 -11.443 -20.265 -1.578 78 HA GLN 11 HA GLN 11 -8.726 -19.875 -1.305 79 HB2 GLN 11 2HB GLN 11 -9.113 -20.603 1.116 80 HB3 GLN 11 3HB GLN 11 -10.068 -19.253 0.520 81 HG2 GLN 11 2HG GLN 11 -12.007 -20.369 0.702 82 HG3 GLN 11 3HG GLN 11 -11.298 -21.899 0.192 83 HE21 GLN 11 1HE2 GLN 11 -9.584 -22.677 1.894 84 HE22 GLN 11 2HE2 GLN 11 -10.165 -22.705 3.521 85 HA PRO 12 HA PRO 12 -6.740 -23.775 -1.616 86 HB2 PRO 12 2HB PRO 12 -4.758 -23.525 0.223 87 HB3 PRO 12 3HB PRO 12 -4.753 -22.660 -1.319 88 HG2 PRO 12 2HG PRO 12 -5.554 -21.686 1.396 89 HG3 PRO 12 3HG PRO 12 -4.592 -20.866 0.152 90 HD2 PRO 12 2HD PRO 12 -7.216 -20.330 0.553 91 HD3 PRO 12 3HD PRO 12 -6.454 -20.230 -1.048 92 H TYR 13 H TYR 13 -7.349 -25.713 -0.907 93 HA TYR 13 HA TYR 13 -8.274 -27.329 0.416 94 HB2 TYR 13 2HB TYR 13 -6.252 -27.823 1.360 95 HB3 TYR 13 3HB TYR 13 -5.996 -26.178 1.933 96 HD1 TYR 13 HD1 TYR 13 -7.622 -29.398 2.672 97 HD2 TYR 13 HD2 TYR 13 -6.715 -25.501 4.119 98 HE1 TYR 13 HE1 TYR 13 -8.280 -30.093 4.937 99 HE2 TYR 13 HE2 TYR 13 -7.369 -26.185 6.389 100 HH TYR 13 HH TYR 13 -8.580 -27.809 7.545 Start of MODEL 13 1 H1 LEU 1 H LEU 1 3.495 -0.999 1.000 2 HA LEU 1 HA LEU 1 1.620 0.372 -0.541 3 HB2 LEU 1 2HB LEU 1 3.827 1.631 -1.043 4 HB3 LEU 1 3HB LEU 1 4.217 0.219 -2.023 5 HG LEU 1 HG LEU 1 2.104 0.642 -3.307 6 HD11 LEU 1 1HD1 LEU 1 1.705 2.536 -1.232 7 HD12 LEU 1 2HD1 LEU 1 0.642 2.138 -2.582 8 HD13 LEU 1 3HD1 LEU 1 1.851 3.410 -2.757 9 HD21 LEU 1 1HD2 LEU 1 3.071 2.743 -4.429 10 HD22 LEU 1 2HD2 LEU 1 4.060 1.283 -4.398 11 HD23 LEU 1 3HD2 LEU 1 4.382 2.590 -3.259 12 H GLY 2 H GLY 2 0.944 -0.823 -2.440 13 HA2 GLY 2 2HA GLY 2 1.818 -2.926 -3.743 14 HA3 GLY 2 3HA GLY 2 1.601 -3.665 -2.163 15 H GLN 3 H GLN 3 -0.054 -2.077 -4.833 16 HA GLN 3 HA GLN 3 -2.652 -2.048 -4.088 17 HB2 GLN 3 2HB GLN 3 -1.679 -3.133 -6.736 18 HB3 GLN 3 3HB GLN 3 -3.265 -2.448 -6.411 19 HG2 GLN 3 2HG GLN 3 -2.249 -0.281 -5.963 20 HG3 GLN 3 3HG GLN 3 -0.651 -0.963 -6.263 21 HE21 GLN 3 1HE2 GLN 3 -3.591 0.175 -7.667 22 HE22 GLN 3 2HE2 GLN 3 -3.069 0.139 -9.314 23 H GLN 4 H GLN 4 -3.730 -3.500 -2.925 24 HA GLN 4 HA GLN 4 -3.186 -6.190 -2.650 25 HB2 GLN 4 2HB GLN 4 -5.643 -6.364 -1.953 26 HB3 GLN 4 3HB GLN 4 -4.628 -5.241 -1.057 27 HG2 GLN 4 2HG GLN 4 -5.911 -3.989 -3.336 28 HG3 GLN 4 3HG GLN 4 -7.070 -4.691 -2.208 29 HE21 GLN 4 1HE2 GLN 4 -6.848 -4.077 0.060 30 HE22 GLN 4 2HE2 GLN 4 -6.293 -2.486 0.441 31 H GLN 5 H GLN 5 -3.361 -7.887 -3.948 32 HA GLN 5 HA GLN 5 -4.895 -7.619 -6.422 33 HB2 GLN 5 2HB GLN 5 -2.557 -8.325 -6.616 34 HB3 GLN 5 3HB GLN 5 -2.878 -9.706 -5.575 35 HG2 GLN 5 2HG GLN 5 -3.017 -10.725 -7.592 36 HG3 GLN 5 3HG GLN 5 -4.697 -10.220 -7.416 37 HE21 GLN 5 1HE2 GLN 5 -3.644 -10.778 -9.880 38 HE22 GLN 5 2HE2 GLN 5 -3.516 -9.322 -10.801 39 HA PRO 6 HA PRO 6 -8.162 -10.152 -4.877 40 HB2 PRO 6 2HB PRO 6 -9.302 -10.785 -7.259 41 HB3 PRO 6 3HB PRO 6 -9.462 -9.191 -6.510 42 HG2 PRO 6 2HG PRO 6 -7.614 -10.084 -8.690 43 HG3 PRO 6 3HG PRO 6 -8.554 -8.586 -8.564 44 HD2 PRO 6 2HD PRO 6 -5.913 -8.702 -7.981 45 HD3 PRO 6 3HD PRO 6 -7.027 -7.598 -7.149 46 H PHE 7 H PHE 7 -7.123 -11.958 -4.044 47 HA PHE 7 HA PHE 7 -5.690 -13.897 -5.349 48 HB2 PHE 7 2HB PHE 7 -6.625 -15.470 -3.539 49 HB3 PHE 7 3HB PHE 7 -5.741 -14.043 -3.005 50 HD1 PHE 7 HD1 PHE 7 -9.127 -15.446 -3.481 51 HD2 PHE 7 HD2 PHE 7 -6.761 -12.420 -1.648 52 HE1 PHE 7 HE1 PHE 7 -11.057 -14.772 -2.110 53 HE2 PHE 7 HE2 PHE 7 -8.686 -11.742 -0.274 54 HZ PHE 7 HZ PHE 7 -10.837 -12.919 -0.503 55 HA PRO 8 HA PRO 8 -8.383 -16.193 -7.942 56 HB2 PRO 8 2HB PRO 8 -7.420 -18.714 -7.649 57 HB3 PRO 8 3HB PRO 8 -6.557 -17.454 -8.539 58 HG2 PRO 8 2HG PRO 8 -6.141 -18.416 -5.735 59 HG3 PRO 8 3HG PRO 8 -4.934 -18.029 -6.976 60 HD2 PRO 8 2HD PRO 8 -5.562 -16.320 -4.972 61 HD3 PRO 8 3HD PRO 8 -5.074 -15.762 -6.586 62 HA PRO 9 HA PRO 9 -11.697 -18.079 -5.753 63 HB2 PRO 9 2HB PRO 9 -12.508 -20.032 -7.455 64 HB3 PRO 9 3HB PRO 9 -12.780 -18.313 -7.765 65 HG2 PRO 9 2HG PRO 9 -10.654 -20.120 -8.849 66 HG3 PRO 9 3HG PRO 9 -11.617 -18.894 -9.693 67 HD2 PRO 9 2HD PRO 9 -9.074 -18.443 -8.881 68 HD3 PRO 9 3HD PRO 9 -10.298 -17.159 -8.942 69 H GLN 10 H GLN 10 -12.460 -20.029 -4.696 70 HA GLN 10 HA GLN 10 -12.182 -21.908 -3.446 71 HB2 GLN 10 2HB GLN 10 -11.425 -22.625 -5.966 72 HB3 GLN 10 3HB GLN 10 -9.978 -23.021 -5.050 73 HG2 GLN 10 2HG GLN 10 -11.339 -24.394 -3.533 74 HG3 GLN 10 3HG GLN 10 -12.760 -24.034 -4.511 75 HE21 GLN 10 1HE2 GLN 10 -13.291 -25.698 -5.715 76 HE22 GLN 10 2HE2 GLN 10 -12.201 -26.753 -6.541 77 H GLN 11 H GLN 11 -11.336 -21.122 -1.579 78 HA GLN 11 HA GLN 11 -8.834 -20.041 -1.149 79 HB2 GLN 11 2HB GLN 11 -9.160 -20.866 1.251 80 HB3 GLN 11 3HB GLN 11 -10.398 -19.805 0.590 81 HG2 GLN 11 2HG GLN 11 -10.965 -22.613 0.118 82 HG3 GLN 11 3HG GLN 11 -10.813 -22.223 1.831 83 HE21 GLN 11 1HE2 GLN 11 -13.032 -22.647 2.101 84 HE22 GLN 11 2HE2 GLN 11 -14.230 -21.506 1.603 85 HA PRO 12 HA PRO 12 -5.889 -23.288 -1.315 86 HB2 PRO 12 2HB PRO 12 -4.152 -22.548 0.636 87 HB3 PRO 12 3HB PRO 12 -4.280 -21.698 -0.909 88 HG2 PRO 12 2HG PRO 12 -5.465 -20.989 1.747 89 HG3 PRO 12 3HG PRO 12 -4.678 -19.937 0.557 90 HD2 PRO 12 2HD PRO 12 -7.370 -20.104 0.799 91 HD3 PRO 12 3HD PRO 12 -6.568 -19.796 -0.755 92 H TYR 13 H TYR 13 -5.036 -25.126 -0.202 93 HA TYR 13 HA TYR 13 -5.357 -26.991 1.076 94 HB2 TYR 13 2HB TYR 13 -4.048 -26.166 2.756 95 HB3 TYR 13 3HB TYR 13 -5.023 -24.713 2.950 96 HD1 TYR 13 HD1 TYR 13 -6.856 -24.646 4.499 97 HD2 TYR 13 HD2 TYR 13 -4.702 -28.261 3.871 98 HE1 TYR 13 HE1 TYR 13 -7.915 -25.617 6.496 99 HE2 TYR 13 HE2 TYR 13 -5.756 -29.243 5.864 100 HH TYR 13 HH TYR 13 -7.207 -28.948 7.514 Start of MODEL 14 1 H1 LEU 1 H LEU 1 2.401 -2.672 -5.189 2 HA LEU 1 HA LEU 1 2.499 -2.747 -2.846 3 HB2 LEU 1 2HB LEU 1 2.759 0.209 -3.294 4 HB3 LEU 1 3HB LEU 1 3.611 -0.802 -2.129 5 HG LEU 1 HG LEU 1 4.291 -1.774 -4.686 6 HD11 LEU 1 1HD1 LEU 1 5.026 0.060 -5.923 7 HD12 LEU 1 2HD1 LEU 1 4.845 1.170 -4.564 8 HD13 LEU 1 3HD1 LEU 1 3.416 0.534 -5.380 9 HD21 LEU 1 1HD2 LEU 1 6.538 -0.820 -4.016 10 HD22 LEU 1 2HD2 LEU 1 5.791 -1.934 -2.870 11 HD23 LEU 1 3HD2 LEU 1 5.738 -0.195 -2.574 12 H GLY 2 H GLY 2 0.635 -3.249 -1.803 13 HA2 GLY 2 2HA GLY 2 -0.927 -2.637 -0.143 14 HA3 GLY 2 3HA GLY 2 -0.908 -0.993 -0.764 15 H GLN 3 H GLN 3 -1.387 -1.550 -3.481 16 HA GLN 3 HA GLN 3 -4.073 -1.404 -3.733 17 HB2 GLN 3 2HB GLN 3 -2.285 -2.884 -5.669 18 HB3 GLN 3 3HB GLN 3 -3.842 -2.156 -6.038 19 HG2 GLN 3 2HG GLN 3 -2.932 0.054 -5.569 20 HG3 GLN 3 3HG GLN 3 -1.373 -0.667 -5.173 21 HE21 GLN 3 1HE2 GLN 3 -3.746 -0.376 -7.773 22 HE22 GLN 3 2HE2 GLN 3 -2.600 -0.424 -9.065 23 H GLN 4 H GLN 4 -5.606 -2.659 -2.908 24 HA GLN 4 HA GLN 4 -5.358 -5.260 -2.025 25 HB2 GLN 4 2HB GLN 4 -7.899 -5.344 -2.325 26 HB3 GLN 4 3HB GLN 4 -7.251 -4.077 -1.291 27 HG2 GLN 4 2HG GLN 4 -7.532 -3.298 -4.093 28 HG3 GLN 4 3HG GLN 4 -9.051 -3.712 -3.300 29 HE21 GLN 4 1HE2 GLN 4 -7.552 -1.153 -4.187 30 HE22 GLN 4 2HE2 GLN 4 -7.769 -0.095 -2.839 31 H GLN 5 H GLN 5 -4.646 -6.916 -3.207 32 HA GLN 5 HA GLN 5 -5.381 -7.159 -6.008 33 HB2 GLN 5 2HB GLN 5 -3.077 -7.606 -5.449 34 HB3 GLN 5 3HB GLN 5 -3.555 -8.793 -4.243 35 HG2 GLN 5 2HG GLN 5 -4.565 -10.134 -6.105 36 HG3 GLN 5 3HG GLN 5 -3.807 -9.007 -7.229 37 HE21 GLN 5 1HE2 GLN 5 -1.817 -9.438 -7.877 38 HE22 GLN 5 2HE2 GLN 5 -0.738 -10.570 -7.142 39 HA PRO 6 HA PRO 6 -8.758 -9.896 -5.257 40 HB2 PRO 6 2HB PRO 6 -8.957 -10.949 -7.751 41 HB3 PRO 6 3HB PRO 6 -9.490 -9.311 -7.355 42 HG2 PRO 6 2HG PRO 6 -6.941 -10.216 -8.639 43 HG3 PRO 6 3HG PRO 6 -7.983 -8.846 -9.064 44 HD2 PRO 6 2HD PRO 6 -5.702 -8.553 -7.635 45 HD3 PRO 6 3HD PRO 6 -7.118 -7.509 -7.398 46 H PHE 7 H PHE 7 -8.156 -11.538 -3.923 47 HA PHE 7 HA PHE 7 -6.137 -13.370 -4.216 48 HB2 PHE 7 2HB PHE 7 -7.660 -14.914 -2.830 49 HB3 PHE 7 3HB PHE 7 -7.231 -13.353 -2.137 50 HD1 PHE 7 HD1 PHE 7 -8.892 -11.964 -1.336 51 HD2 PHE 7 HD2 PHE 7 -9.900 -15.014 -4.128 52 HE1 PHE 7 HE1 PHE 7 -11.278 -11.436 -1.046 53 HE2 PHE 7 HE2 PHE 7 -12.287 -14.491 -3.843 54 HZ PHE 7 HZ PHE 7 -12.979 -12.700 -2.301 55 HA PRO 8 HA PRO 8 -7.171 -16.167 -7.434 56 HB2 PRO 8 2HB PRO 8 -6.246 -18.519 -6.443 57 HB3 PRO 8 3HB PRO 8 -5.179 -17.227 -7.005 58 HG2 PRO 8 2HG PRO 8 -6.000 -17.925 -4.213 59 HG3 PRO 8 3HG PRO 8 -4.398 -17.481 -4.829 60 HD2 PRO 8 2HD PRO 8 -5.999 -15.724 -3.532 61 HD3 PRO 8 3HD PRO 8 -4.881 -15.227 -4.818 62 HA PRO 9 HA PRO 9 -10.954 -18.293 -6.725 63 HB2 PRO 9 2HB PRO 9 -10.748 -20.449 -8.361 64 HB3 PRO 9 3HB PRO 9 -10.987 -18.805 -8.964 65 HG2 PRO 9 2HG PRO 9 -8.463 -20.403 -8.770 66 HG3 PRO 9 3HG PRO 9 -9.035 -19.371 -10.094 67 HD2 PRO 9 2HD PRO 9 -7.180 -18.547 -8.302 68 HD3 PRO 9 3HD PRO 9 -8.343 -17.435 -9.052 69 H GLN 10 H GLN 10 -11.566 -19.410 -4.991 70 HA GLN 10 HA GLN 10 -11.675 -20.976 -3.346 71 HB2 GLN 10 2HB GLN 10 -11.423 -22.399 -5.634 72 HB3 GLN 10 3HB GLN 10 -9.994 -22.950 -4.768 73 HG2 GLN 10 2HG GLN 10 -11.802 -23.194 -2.814 74 HG3 GLN 10 3HG GLN 10 -12.852 -23.423 -4.212 75 HE21 GLN 10 1HE2 GLN 10 -10.703 -24.881 -2.097 76 HE22 GLN 10 2HE2 GLN 10 -10.474 -26.369 -2.945 77 H GLN 11 H GLN 11 -10.503 -20.158 -1.698 78 HA GLN 11 HA GLN 11 -7.785 -19.690 -1.593 79 HB2 GLN 11 2HB GLN 11 -8.084 -19.959 0.932 80 HB3 GLN 11 3HB GLN 11 -9.083 -18.755 0.129 81 HG2 GLN 11 2HG GLN 11 -11.010 -19.970 0.398 82 HG3 GLN 11 3HG GLN 11 -10.153 -21.507 0.512 83 HE21 GLN 11 1HE2 GLN 11 -10.342 -18.405 2.231 84 HE22 GLN 11 2HE2 GLN 11 -10.349 -19.091 3.817 85 HA PRO 12 HA PRO 12 -5.741 -23.556 -1.243 86 HB2 PRO 12 2HB PRO 12 -3.708 -22.945 0.450 87 HB3 PRO 12 3HB PRO 12 -3.766 -22.382 -1.225 88 HG2 PRO 12 2HG PRO 12 -4.500 -20.930 1.288 89 HG3 PRO 12 3HG PRO 12 -3.591 -20.345 -0.118 90 HD2 PRO 12 2HD PRO 12 -6.210 -19.774 0.265 91 HD3 PRO 12 3HD PRO 12 -5.501 -19.964 -1.351 92 H TYR 13 H TYR 13 -5.802 -25.394 -0.044 93 HA TYR 13 HA TYR 13 -7.501 -25.709 2.081 94 HB2 TYR 13 2HB TYR 13 -6.476 -27.534 0.682 95 HB3 TYR 13 3HB TYR 13 -5.019 -27.381 1.657 96 HD1 TYR 13 HD1 TYR 13 -4.795 -29.122 3.144 97 HD2 TYR 13 HD2 TYR 13 -8.681 -27.550 2.419 98 HE1 TYR 13 HE1 TYR 13 -5.730 -30.690 4.791 99 HE2 TYR 13 HE2 TYR 13 -9.627 -29.113 4.066 100 HH TYR 13 HH TYR 13 -7.925 -30.659 6.322 Start of MODEL 15 1 H1 LEU 1 H LEU 1 -2.711 2.418 -6.859 2 HA LEU 1 HA LEU 1 -0.974 1.040 -7.439 3 HB2 LEU 1 2HB LEU 1 0.202 3.690 -7.762 4 HB3 LEU 1 3HB LEU 1 1.374 2.461 -7.288 5 HG LEU 1 HG LEU 1 1.236 2.820 -9.735 6 HD11 LEU 1 1HD1 LEU 1 1.766 0.587 -8.505 7 HD12 LEU 1 2HD1 LEU 1 1.531 0.596 -10.252 8 HD13 LEU 1 3HD1 LEU 1 0.227 0.064 -9.190 9 HD21 LEU 1 1HD2 LEU 1 -1.332 3.174 -9.559 10 HD22 LEU 1 2HD2 LEU 1 -1.405 1.419 -9.715 11 HD23 LEU 1 3HD2 LEU 1 -0.657 2.388 -10.986 12 H GLY 2 H GLY 2 -0.262 -0.403 -6.017 13 HA2 GLY 2 2HA GLY 2 1.540 -0.679 -4.253 14 HA3 GLY 2 3HA GLY 2 0.670 0.584 -3.395 15 H GLN 3 H GLN 3 -1.962 -0.378 -4.107 16 HA GLN 3 HA GLN 3 -2.677 -1.862 -1.965 17 HB2 GLN 3 2HB GLN 3 -3.880 -2.199 -4.718 18 HB3 GLN 3 3HB GLN 3 -4.663 -2.565 -3.186 19 HG2 GLN 3 2HG GLN 3 -4.598 -0.208 -2.578 20 HG3 GLN 3 3HG GLN 3 -3.790 0.167 -4.099 21 HE21 GLN 3 1HE2 GLN 3 -6.774 -0.733 -2.579 22 HE22 GLN 3 2HE2 GLN 3 -7.796 -0.434 -3.939 23 H GLN 4 H GLN 4 -2.085 -3.769 -1.198 24 HA GLN 4 HA GLN 4 -0.437 -5.592 -2.450 25 HB2 GLN 4 2HB GLN 4 -1.367 -7.244 -0.730 26 HB3 GLN 4 3HB GLN 4 -0.622 -5.774 -0.116 27 HG2 GLN 4 2HG GLN 4 -2.490 -5.153 0.899 28 HG3 GLN 4 3HG GLN 4 -3.447 -5.405 -0.560 29 HE21 GLN 4 1HE2 GLN 4 -3.139 -6.305 2.553 30 HE22 GLN 4 2HE2 GLN 4 -3.865 -7.871 2.491 31 H GLN 5 H GLN 5 -0.713 -7.467 -3.606 32 HA GLN 5 HA GLN 5 -2.892 -7.628 -5.358 33 HB2 GLN 5 2HB GLN 5 -0.757 -8.580 -5.957 34 HB3 GLN 5 3HB GLN 5 -0.828 -9.699 -4.603 35 HG2 GLN 5 2HG GLN 5 -2.867 -10.700 -5.662 36 HG3 GLN 5 3HG GLN 5 -2.533 -9.702 -7.076 37 HE21 GLN 5 1HE2 GLN 5 -2.467 -12.689 -6.403 38 HE22 GLN 5 2HE2 GLN 5 -0.958 -13.214 -7.060 39 HA PRO 6 HA PRO 6 -5.969 -9.624 -2.908 40 HB2 PRO 6 2HB PRO 6 -7.567 -10.483 -4.927 41 HB3 PRO 6 3HB PRO 6 -7.484 -8.791 -4.421 42 HG2 PRO 6 2HG PRO 6 -6.132 -10.148 -6.721 43 HG3 PRO 6 3HG PRO 6 -6.936 -8.569 -6.669 44 HD2 PRO 6 2HD PRO 6 -4.244 -8.838 -6.542 45 HD3 PRO 6 3HD PRO 6 -5.114 -7.532 -5.712 46 H PHE 7 H PHE 7 -6.520 -11.662 -2.211 47 HA PHE 7 HA PHE 7 -4.789 -13.765 -2.529 48 HB2 PHE 7 2HB PHE 7 -6.778 -15.206 -1.758 49 HB3 PHE 7 3HB PHE 7 -6.261 -13.896 -0.702 50 HD1 PHE 7 HD1 PHE 7 -8.660 -14.559 -3.476 51 HD2 PHE 7 HD2 PHE 7 -7.855 -12.476 0.147 52 HE1 PHE 7 HE1 PHE 7 -10.947 -13.651 -3.494 53 HE2 PHE 7 HE2 PHE 7 -10.141 -11.566 0.136 54 HZ PHE 7 HZ PHE 7 -11.690 -12.153 -1.686 55 HA PRO 8 HA PRO 8 -5.580 -15.725 -6.373 56 HB2 PRO 8 2HB PRO 8 -5.244 -18.344 -5.741 57 HB3 PRO 8 3HB PRO 8 -3.900 -17.200 -5.843 58 HG2 PRO 8 2HG PRO 8 -5.359 -18.197 -3.427 59 HG3 PRO 8 3HG PRO 8 -3.617 -17.964 -3.665 60 HD2 PRO 8 2HD PRO 8 -5.155 -16.184 -2.323 61 HD3 PRO 8 3HD PRO 8 -3.740 -15.695 -3.277 62 HA PRO 9 HA PRO 9 -9.709 -17.188 -6.750 63 HB2 PRO 9 2HB PRO 9 -9.515 -19.033 -8.731 64 HB3 PRO 9 3HB PRO 9 -9.373 -17.295 -9.020 65 HG2 PRO 9 2HG PRO 9 -7.215 -19.351 -8.736 66 HG3 PRO 9 3HG PRO 9 -7.346 -18.019 -9.900 67 HD2 PRO 9 2HD PRO 9 -5.781 -17.878 -7.695 68 HD3 PRO 9 3HD PRO 9 -6.586 -16.455 -8.387 69 H GLN 10 H GLN 10 -11.033 -18.637 -5.796 70 HA GLN 10 HA GLN 10 -11.735 -20.438 -4.599 71 HB2 GLN 10 2HB GLN 10 -10.936 -21.504 -6.847 72 HB3 GLN 10 3HB GLN 10 -9.611 -22.127 -5.872 73 HG2 GLN 10 2HG GLN 10 -11.454 -23.008 -4.313 74 HG3 GLN 10 3HG GLN 10 -12.534 -22.729 -5.678 75 HE21 GLN 10 1HE2 GLN 10 -11.714 -25.220 -4.359 76 HE22 GLN 10 2HE2 GLN 10 -11.047 -26.212 -5.605 77 H GLN 11 H GLN 11 -11.182 -19.914 -2.539 78 HA GLN 11 HA GLN 11 -8.659 -19.754 -1.428 79 HB2 GLN 11 2HB GLN 11 -9.857 -20.307 0.763 80 HB3 GLN 11 3HB GLN 11 -10.436 -18.913 -0.139 81 HG2 GLN 11 2HG GLN 11 -12.463 -19.780 -0.339 82 HG3 GLN 11 3HG GLN 11 -11.823 -21.311 -0.934 83 HE21 GLN 11 1HE2 GLN 11 -12.351 -19.457 2.026 84 HE22 GLN 11 2HE2 GLN 11 -12.632 -20.824 3.044 85 HA PRO 12 HA PRO 12 -7.091 -23.829 -1.001 86 HB2 PRO 12 2HB PRO 12 -5.769 -23.658 1.364 87 HB3 PRO 12 3HB PRO 12 -5.192 -22.884 -0.117 88 HG2 PRO 12 2HG PRO 12 -6.697 -21.692 2.181 89 HG3 PRO 12 3HG PRO 12 -5.315 -21.034 1.286 90 HD2 PRO 12 2HD PRO 12 -7.862 -20.240 0.823 91 HD3 PRO 12 3HD PRO 12 -6.632 -20.298 -0.456 92 H TYR 13 H TYR 13 -7.295 -25.805 0.148 93 HA TYR 13 HA TYR 13 -9.753 -26.404 1.197 94 HB2 TYR 13 2HB TYR 13 -7.908 -28.004 0.460 95 HB3 TYR 13 3HB TYR 13 -7.244 -27.826 2.081 96 HD1 TYR 13 HD1 TYR 13 -10.504 -28.610 0.424 97 HD2 TYR 13 HD2 TYR 13 -7.861 -29.381 3.668 98 HE1 TYR 13 HE1 TYR 13 -12.018 -30.373 1.231 99 HE2 TYR 13 HE2 TYR 13 -9.367 -31.146 4.483 100 HH TYR 13 HH TYR 13 -12.337 -31.456 3.873 Start of MODEL 16 1 H1 LEU 1 H LEU 1 0.321 1.594 1.176 2 HA LEU 1 HA LEU 1 0.586 1.124 -1.315 3 HB2 LEU 1 2HB LEU 1 2.508 0.858 0.822 4 HB3 LEU 1 3HB LEU 1 2.929 -0.180 -0.538 5 HG LEU 1 HG LEU 1 4.068 1.964 -0.685 6 HD11 LEU 1 1HD1 LEU 1 3.461 2.539 -2.948 7 HD12 LEU 1 2HD1 LEU 1 1.900 1.738 -2.767 8 HD13 LEU 1 3HD1 LEU 1 3.386 0.789 -2.743 9 HD21 LEU 1 1HD2 LEU 1 1.859 3.051 0.426 10 HD22 LEU 1 2HD2 LEU 1 1.618 3.487 -1.266 11 HD23 LEU 1 3HD2 LEU 1 3.093 3.976 -0.430 12 H GLY 2 H GLY 2 0.977 -0.482 -2.869 13 HA2 GLY 2 2HA GLY 2 1.365 -2.770 -3.495 14 HA3 GLY 2 3HA GLY 2 0.665 -3.265 -1.961 15 H GLN 3 H GLN 3 0.025 -2.286 -5.228 16 HA GLN 3 HA GLN 3 -2.627 -1.781 -5.349 17 HB2 GLN 3 2HB GLN 3 -1.202 -3.712 -7.187 18 HB3 GLN 3 3HB GLN 3 -2.666 -2.811 -7.556 19 HG2 GLN 3 2HG GLN 3 -1.430 -0.718 -7.407 20 HG3 GLN 3 3HG GLN 3 0.039 -1.609 -7.012 21 HE21 GLN 3 1HE2 GLN 3 -2.244 -0.797 -9.501 22 HE22 GLN 3 2HE2 GLN 3 -1.290 -1.337 -10.836 23 H GLN 4 H GLN 4 -4.222 -2.699 -4.237 24 HA GLN 4 HA GLN 4 -4.268 -5.214 -3.105 25 HB2 GLN 4 2HB GLN 4 -6.811 -4.933 -3.180 26 HB3 GLN 4 3HB GLN 4 -5.887 -3.691 -2.346 27 HG2 GLN 4 2HG GLN 4 -6.285 -3.101 -5.165 28 HG3 GLN 4 3HG GLN 4 -7.796 -3.276 -4.274 29 HE21 GLN 4 1HE2 GLN 4 -6.374 -0.928 -5.461 30 HE22 GLN 4 2HE2 GLN 4 -6.274 0.220 -4.174 31 H GLN 5 H GLN 5 -4.109 -7.134 -4.041 32 HA GLN 5 HA GLN 5 -5.158 -7.502 -6.751 33 HB2 GLN 5 2HB GLN 5 -2.849 -8.149 -6.479 34 HB3 GLN 5 3HB GLN 5 -3.250 -9.158 -5.095 35 HG2 GLN 5 2HG GLN 5 -4.656 -10.546 -6.638 36 HG3 GLN 5 3HG GLN 5 -3.973 -9.620 -7.974 37 HE21 GLN 5 1HE2 GLN 5 -3.414 -12.051 -5.593 38 HE22 GLN 5 2HE2 GLN 5 -1.862 -12.554 -6.160 39 HA PRO 6 HA PRO 6 -8.628 -9.764 -5.236 40 HB2 PRO 6 2HB PRO 6 -9.306 -11.017 -7.547 41 HB3 PRO 6 3HB PRO 6 -9.611 -9.300 -7.260 42 HG2 PRO 6 2HG PRO 6 -7.388 -10.599 -8.786 43 HG3 PRO 6 3HG PRO 6 -8.345 -9.167 -9.206 44 HD2 PRO 6 2HD PRO 6 -5.855 -8.998 -8.155 45 HD3 PRO 6 3HD PRO 6 -7.111 -7.785 -7.835 46 H PHE 7 H PHE 7 -8.143 -11.382 -3.861 47 HA PHE 7 HA PHE 7 -6.322 -13.412 -4.144 48 HB2 PHE 7 2HB PHE 7 -7.868 -14.701 -2.540 49 HB3 PHE 7 3HB PHE 7 -7.252 -13.142 -2.004 50 HD1 PHE 7 HD1 PHE 7 -8.713 -11.497 -1.275 51 HD2 PHE 7 HD2 PHE 7 -10.204 -14.735 -3.601 52 HE1 PHE 7 HE1 PHE 7 -11.014 -10.727 -0.866 53 HE2 PHE 7 HE2 PHE 7 -12.507 -13.970 -3.196 54 HZ PHE 7 HZ PHE 7 -12.914 -11.963 -1.828 55 HA PRO 8 HA PRO 8 -7.838 -16.325 -7.053 56 HB2 PRO 8 2HB PRO 8 -7.054 -18.676 -5.944 57 HB3 PRO 8 3HB PRO 8 -5.921 -17.535 -6.678 58 HG2 PRO 8 2HG PRO 8 -6.590 -17.948 -3.789 59 HG3 PRO 8 3HG PRO 8 -5.006 -17.702 -4.547 60 HD2 PRO 8 2HD PRO 8 -6.343 -15.713 -3.286 61 HD3 PRO 8 3HD PRO 8 -5.284 -15.418 -4.681 62 HA PRO 9 HA PRO 9 -11.730 -18.029 -5.923 63 HB2 PRO 9 2HB PRO 9 -11.839 -20.308 -7.394 64 HB3 PRO 9 3HB PRO 9 -11.976 -18.697 -8.108 65 HG2 PRO 9 2HG PRO 9 -9.596 -20.507 -7.959 66 HG3 PRO 9 3HG PRO 9 -10.172 -19.525 -9.319 67 HD2 PRO 9 2HD PRO 9 -8.122 -18.751 -7.727 68 HD3 PRO 9 3HD PRO 9 -9.235 -17.592 -8.483 69 H GLN 10 H GLN 10 -11.079 -18.448 -3.695 70 HA GLN 10 HA GLN 10 -10.939 -19.762 -1.844 71 HB2 GLN 10 2HB GLN 10 -12.880 -20.861 -3.162 72 HB3 GLN 10 3HB GLN 10 -11.717 -22.129 -3.523 73 HG2 GLN 10 2HG GLN 10 -11.382 -22.477 -1.112 74 HG3 GLN 10 3HG GLN 10 -12.606 -21.252 -0.785 75 HE21 GLN 10 1HE2 GLN 10 -14.318 -22.274 -0.026 76 HE22 GLN 10 2HE2 GLN 10 -15.061 -23.667 -0.729 77 H GLN 11 H GLN 11 -8.788 -19.771 -1.394 78 HA GLN 11 HA GLN 11 -6.748 -20.992 -2.798 79 HB2 GLN 11 2HB GLN 11 -5.565 -21.064 -0.533 80 HB3 GLN 11 3HB GLN 11 -6.114 -19.493 -1.102 81 HG2 GLN 11 2HG GLN 11 -8.056 -20.937 0.547 82 HG3 GLN 11 3HG GLN 11 -6.564 -20.498 1.376 83 HE21 GLN 11 1HE2 GLN 11 -9.600 -19.479 0.560 84 HE22 GLN 11 2HE2 GLN 11 -9.395 -17.778 0.785 85 HA PRO 12 HA PRO 12 -7.074 -25.324 -2.188 86 HB2 PRO 12 2HB PRO 12 -4.462 -26.049 -2.030 87 HB3 PRO 12 3HB PRO 12 -5.228 -25.539 -3.539 88 HG2 PRO 12 2HG PRO 12 -3.508 -23.965 -1.662 89 HG3 PRO 12 3HG PRO 12 -3.480 -24.009 -3.434 90 HD2 PRO 12 2HD PRO 12 -4.666 -22.010 -2.045 91 HD3 PRO 12 3HD PRO 12 -5.263 -22.561 -3.624 92 H TYR 13 H TYR 13 -7.284 -26.784 -0.564 93 HA TYR 13 HA TYR 13 -7.259 -26.065 2.078 94 HB2 TYR 13 2HB TYR 13 -8.415 -28.050 1.387 95 HB3 TYR 13 3HB TYR 13 -6.919 -28.802 0.846 96 HD1 TYR 13 HD1 TYR 13 -7.667 -27.013 4.030 97 HD2 TYR 13 HD2 TYR 13 -6.676 -30.706 2.162 98 HE1 TYR 13 HE1 TYR 13 -7.397 -28.053 6.242 99 HE2 TYR 13 HE2 TYR 13 -6.405 -31.756 4.369 100 HH TYR 13 HH TYR 13 -7.480 -30.323 7.232 Start of MODEL 17 1 H1 LEU 1 H LEU 1 2.514 1.236 -2.667 2 HA LEU 1 HA LEU 1 0.400 2.417 -3.210 3 HB2 LEU 1 2HB LEU 1 2.426 4.019 -4.641 4 HB3 LEU 1 3HB LEU 1 0.893 3.778 -5.477 5 HG LEU 1 HG LEU 1 -0.239 4.696 -3.415 6 HD11 LEU 1 1HD1 LEU 1 1.179 4.665 -1.644 7 HD12 LEU 1 2HD1 LEU 1 1.518 6.296 -2.223 8 HD13 LEU 1 3HD1 LEU 1 2.606 4.970 -2.634 9 HD21 LEU 1 1HD2 LEU 1 1.559 6.815 -4.444 10 HD22 LEU 1 2HD2 LEU 1 -0.198 6.789 -4.299 11 HD23 LEU 1 3HD2 LEU 1 0.590 5.929 -5.622 12 H GLY 2 H GLY 2 -0.260 0.385 -3.791 13 HA2 GLY 2 2HA GLY 2 -0.783 -0.264 -6.381 14 HA3 GLY 2 3HA GLY 2 0.813 -0.948 -6.109 15 H GLN 3 H GLN 3 -2.542 -1.007 -5.028 16 HA GLN 3 HA GLN 3 -2.579 -2.896 -3.095 17 HB2 GLN 3 2HB GLN 3 -4.472 -2.869 -5.451 18 HB3 GLN 3 3HB GLN 3 -4.790 -3.562 -3.866 19 HG2 GLN 3 2HG GLN 3 -4.665 -1.348 -2.860 20 HG3 GLN 3 3HG GLN 3 -4.320 -0.645 -4.440 21 HE21 GLN 3 1HE2 GLN 3 -6.283 0.589 -3.591 22 HE22 GLN 3 2HE2 GLN 3 -7.824 -0.009 -4.092 23 H GLN 4 H GLN 4 -1.526 -4.755 -2.929 24 HA GLN 4 HA GLN 4 -0.336 -6.194 -4.959 25 HB2 GLN 4 2HB GLN 4 -0.459 -8.150 -3.312 26 HB3 GLN 4 3HB GLN 4 0.360 -6.691 -2.771 27 HG2 GLN 4 2HG GLN 4 -2.495 -6.754 -2.150 28 HG3 GLN 4 3HG GLN 4 -1.555 -8.032 -1.380 29 HE21 GLN 4 1HE2 GLN 4 -2.682 -4.989 -0.996 30 HE22 GLN 4 2HE2 GLN 4 -1.542 -4.391 0.156 31 H GLN 5 H GLN 5 -0.851 -8.202 -5.968 32 HA GLN 5 HA GLN 5 -3.374 -8.316 -7.137 33 HB2 GLN 5 2HB GLN 5 -1.472 -9.362 -8.190 34 HB3 GLN 5 3HB GLN 5 -1.277 -10.469 -6.837 35 HG2 GLN 5 2HG GLN 5 -3.543 -11.388 -7.389 36 HG3 GLN 5 3HG GLN 5 -3.499 -10.415 -8.858 37 HE21 GLN 5 1HE2 GLN 5 -3.523 -12.167 -10.227 38 HE22 GLN 5 2HE2 GLN 5 -2.179 -13.237 -10.404 39 HA PRO 6 HA PRO 6 -5.890 -10.163 -4.019 40 HB2 PRO 6 2HB PRO 6 -7.939 -10.965 -5.608 41 HB3 PRO 6 3HB PRO 6 -7.675 -9.276 -5.161 42 HG2 PRO 6 2HG PRO 6 -6.938 -10.704 -7.687 43 HG3 PRO 6 3HG PRO 6 -7.645 -9.091 -7.479 44 HD2 PRO 6 2HD PRO 6 -5.008 -9.475 -7.962 45 HD3 PRO 6 3HD PRO 6 -5.612 -8.127 -6.977 46 H PHE 7 H PHE 7 -6.099 -12.140 -3.115 47 HA PHE 7 HA PHE 7 -4.663 -14.326 -3.940 48 HB2 PHE 7 2HB PHE 7 -6.302 -15.658 -2.468 49 HB3 PHE 7 3HB PHE 7 -5.402 -14.348 -1.710 50 HD1 PHE 7 HD1 PHE 7 -8.674 -15.157 -3.264 51 HD2 PHE 7 HD2 PHE 7 -6.519 -12.646 -0.587 52 HE1 PHE 7 HE1 PHE 7 -10.789 -14.148 -2.514 53 HE2 PHE 7 HE2 PHE 7 -8.630 -11.633 0.168 54 HZ PHE 7 HZ PHE 7 -10.768 -12.384 -0.795 55 HA PRO 8 HA PRO 8 -6.819 -16.337 -7.188 56 HB2 PRO 8 2HB PRO 8 -6.372 -18.953 -6.614 57 HB3 PRO 8 3HB PRO 8 -5.112 -17.874 -7.223 58 HG2 PRO 8 2HG PRO 8 -5.663 -18.747 -4.413 59 HG3 PRO 8 3HG PRO 8 -4.109 -18.598 -5.254 60 HD2 PRO 8 2HD PRO 8 -5.015 -16.720 -3.528 61 HD3 PRO 8 3HD PRO 8 -4.010 -16.318 -4.934 62 HA PRO 9 HA PRO 9 -10.865 -17.620 -6.040 63 HB2 PRO 9 2HB PRO 9 -11.443 -19.518 -7.894 64 HB3 PRO 9 3HB PRO 9 -11.352 -17.795 -8.279 65 HG2 PRO 9 2HG PRO 9 -9.303 -19.939 -8.691 66 HG3 PRO 9 3HG PRO 9 -9.789 -18.630 -9.784 67 HD2 PRO 9 2HD PRO 9 -7.545 -18.508 -8.273 68 HD3 PRO 9 3HD PRO 9 -8.493 -17.067 -8.693 69 H GLN 10 H GLN 10 -11.990 -19.125 -4.842 70 HA GLN 10 HA GLN 10 -12.338 -20.909 -3.475 71 HB2 GLN 10 2HB GLN 10 -11.248 -21.991 -5.893 72 HB3 GLN 10 3HB GLN 10 -10.627 -22.907 -4.527 73 HG2 GLN 10 2HG GLN 10 -12.545 -23.980 -4.311 74 HG3 GLN 10 3HG GLN 10 -13.428 -22.460 -4.181 75 HE21 GLN 10 1HE2 GLN 10 -14.568 -21.719 -5.895 76 HE22 GLN 10 2HE2 GLN 10 -14.731 -22.571 -7.389 77 H GLN 11 H GLN 11 -11.427 -20.254 -1.588 78 HA GLN 11 HA GLN 11 -8.750 -19.892 -1.013 79 HB2 GLN 11 2HB GLN 11 -9.453 -20.391 1.393 80 HB3 GLN 11 3HB GLN 11 -10.290 -19.083 0.568 81 HG2 GLN 11 2HG GLN 11 -12.243 -20.319 0.324 82 HG3 GLN 11 3HG GLN 11 -11.419 -21.852 0.600 83 HE21 GLN 11 1HE2 GLN 11 -12.863 -19.070 2.056 84 HE22 GLN 11 2HE2 GLN 11 -12.843 -19.650 3.683 85 HA PRO 12 HA PRO 12 -6.866 -23.845 -0.741 86 HB2 PRO 12 2HB PRO 12 -5.117 -23.474 1.302 87 HB3 PRO 12 3HB PRO 12 -4.896 -22.750 -0.296 88 HG2 PRO 12 2HG PRO 12 -5.991 -21.523 2.205 89 HG3 PRO 12 3HG PRO 12 -4.859 -20.837 1.025 90 HD2 PRO 12 2HD PRO 12 -7.493 -20.212 1.050 91 HD3 PRO 12 3HD PRO 12 -6.540 -20.270 -0.447 92 H TYR 13 H TYR 13 -6.844 -25.784 0.417 93 HA TYR 13 HA TYR 13 -8.968 -26.388 2.037 94 HB2 TYR 13 2HB TYR 13 -7.373 -27.995 0.888 95 HB3 TYR 13 3HB TYR 13 -6.299 -27.779 2.266 96 HD1 TYR 13 HD1 TYR 13 -9.970 -28.373 1.824 97 HD2 TYR 13 HD2 TYR 13 -6.353 -29.553 3.727 98 HE1 TYR 13 HE1 TYR 13 -11.190 -30.129 3.040 99 HE2 TYR 13 HE2 TYR 13 -7.562 -31.312 4.948 100 HH TYR 13 HH TYR 13 -9.602 -32.102 5.498 Start of MODEL 18 1 H1 LEU 1 H LEU 1 0.693 0.022 0.037 2 HA LEU 1 HA LEU 1 1.408 1.316 -2.388 3 HB2 LEU 1 2HB LEU 1 3.653 0.226 -0.698 4 HB3 LEU 1 3HB LEU 1 3.799 0.720 -2.383 5 HG LEU 1 HG LEU 1 2.742 2.817 -0.644 6 HD11 LEU 1 1HD1 LEU 1 4.494 1.399 0.724 7 HD12 LEU 1 2HD1 LEU 1 4.498 3.162 0.770 8 HD13 LEU 1 3HD1 LEU 1 5.644 2.305 -0.260 9 HD21 LEU 1 1HD2 LEU 1 3.380 3.363 -2.856 10 HD22 LEU 1 2HD2 LEU 1 4.942 2.564 -2.681 11 HD23 LEU 1 3HD2 LEU 1 4.612 4.057 -1.801 12 H GLY 2 H GLY 2 1.173 -0.092 -4.016 13 HA2 GLY 2 2HA GLY 2 1.546 -2.206 -5.069 14 HA3 GLY 2 3HA GLY 2 1.575 -2.954 -3.479 15 H GLN 3 H GLN 3 -0.494 -1.561 -5.954 16 HA GLN 3 HA GLN 3 -2.987 -1.723 -4.925 17 HB2 GLN 3 2HB GLN 3 -2.223 -2.791 -7.647 18 HB3 GLN 3 3HB GLN 3 -3.816 -2.229 -7.158 19 HG2 GLN 3 2HG GLN 3 -2.941 0.024 -6.860 20 HG3 GLN 3 3HG GLN 3 -1.334 -0.534 -7.325 21 HE21 GLN 3 1HE2 GLN 3 -0.978 -1.186 -9.483 22 HE22 GLN 3 2HE2 GLN 3 -2.000 -0.634 -10.761 23 H GLN 4 H GLN 4 -3.797 -3.230 -3.621 24 HA GLN 4 HA GLN 4 -3.006 -5.861 -3.373 25 HB2 GLN 4 2HB GLN 4 -5.344 -6.214 -2.392 26 HB3 GLN 4 3HB GLN 4 -4.329 -4.993 -1.636 27 HG2 GLN 4 2HG GLN 4 -5.759 -3.360 -2.109 28 HG3 GLN 4 3HG GLN 4 -5.971 -3.910 -3.770 29 HE21 GLN 4 1HE2 GLN 4 -7.662 -3.190 -1.181 30 HE22 GLN 4 2HE2 GLN 4 -8.953 -4.333 -1.285 31 H GLN 5 H GLN 5 -3.356 -7.700 -4.455 32 HA GLN 5 HA GLN 5 -5.042 -7.571 -6.845 33 HB2 GLN 5 2HB GLN 5 -2.773 -8.288 -7.246 34 HB3 GLN 5 3HB GLN 5 -2.897 -9.522 -5.999 35 HG2 GLN 5 2HG GLN 5 -4.699 -10.593 -7.374 36 HG3 GLN 5 3HG GLN 5 -4.296 -9.453 -8.657 37 HE21 GLN 5 1HE2 GLN 5 -1.873 -9.388 -9.148 38 HE22 GLN 5 2HE2 GLN 5 -1.093 -10.924 -9.287 39 HA PRO 6 HA PRO 6 -8.185 -10.018 -4.951 40 HB2 PRO 6 2HB PRO 6 -9.452 -10.829 -7.211 41 HB3 PRO 6 3HB PRO 6 -9.585 -9.186 -6.572 42 HG2 PRO 6 2HG PRO 6 -7.855 -10.223 -8.784 43 HG3 PRO 6 3HG PRO 6 -8.802 -8.726 -8.712 44 HD2 PRO 6 2HD PRO 6 -6.130 -8.782 -8.275 45 HD3 PRO 6 3HD PRO 6 -7.207 -7.628 -7.461 46 H PHE 7 H PHE 7 -7.163 -11.775 -4.039 47 HA PHE 7 HA PHE 7 -5.740 -13.784 -5.246 48 HB2 PHE 7 2HB PHE 7 -6.637 -15.247 -3.328 49 HB3 PHE 7 3HB PHE 7 -5.754 -13.786 -2.897 50 HD1 PHE 7 HD1 PHE 7 -9.155 -15.197 -3.273 51 HD2 PHE 7 HD2 PHE 7 -6.745 -12.122 -1.584 52 HE1 PHE 7 HE1 PHE 7 -11.066 -14.449 -1.915 53 HE2 PHE 7 HE2 PHE 7 -8.652 -11.370 -0.223 54 HZ PHE 7 HZ PHE 7 -10.816 -12.534 -0.386 55 HA PRO 8 HA PRO 8 -8.461 -16.246 -7.650 56 HB2 PRO 8 2HB PRO 8 -7.480 -18.741 -7.219 57 HB3 PRO 8 3HB PRO 8 -6.639 -17.533 -8.198 58 HG2 PRO 8 2HG PRO 8 -6.172 -18.320 -5.347 59 HG3 PRO 8 3HG PRO 8 -4.988 -18.005 -6.629 60 HD2 PRO 8 2HD PRO 8 -5.593 -16.178 -4.723 61 HD3 PRO 8 3HD PRO 8 -5.134 -15.718 -6.376 62 HA PRO 9 HA PRO 9 -11.730 -18.010 -5.295 63 HB2 PRO 9 2HB PRO 9 -12.557 -20.067 -6.862 64 HB3 PRO 9 3HB PRO 9 -12.844 -18.371 -7.272 65 HG2 PRO 9 2HG PRO 9 -10.725 -20.232 -8.278 66 HG3 PRO 9 3HG PRO 9 -11.708 -19.064 -9.180 67 HD2 PRO 9 2HD PRO 9 -9.155 -18.553 -8.438 68 HD3 PRO 9 3HD PRO 9 -10.387 -17.280 -8.557 69 H GLN 10 H GLN 10 -12.560 -20.059 -4.304 70 HA GLN 10 HA GLN 10 -12.260 -21.875 -2.969 71 HB2 GLN 10 2HB GLN 10 -10.837 -22.450 -5.405 72 HB3 GLN 10 3HB GLN 10 -10.001 -23.175 -4.037 73 HG2 GLN 10 2HG GLN 10 -11.546 -24.752 -3.798 74 HG3 GLN 10 3HG GLN 10 -12.868 -23.594 -3.926 75 HE21 GLN 10 1HE2 GLN 10 -10.749 -25.733 -5.668 76 HE22 GLN 10 2HE2 GLN 10 -11.656 -25.762 -7.138 77 H GLN 11 H GLN 11 -11.611 -20.998 -1.065 78 HA GLN 11 HA GLN 11 -9.215 -19.753 -0.482 79 HB2 GLN 11 2HB GLN 11 -9.684 -20.518 1.912 80 HB3 GLN 11 3HB GLN 11 -10.926 -19.558 1.120 81 HG2 GLN 11 2HG GLN 11 -11.191 -22.471 0.820 82 HG3 GLN 11 3HG GLN 11 -11.399 -21.845 2.454 83 HE21 GLN 11 1HE2 GLN 11 -12.907 -22.478 -0.439 84 HE22 GLN 11 2HE2 GLN 11 -14.338 -21.537 -0.212 85 HA PRO 12 HA PRO 12 -6.091 -22.829 -0.309 86 HB2 PRO 12 2HB PRO 12 -4.556 -21.930 1.742 87 HB3 PRO 12 3HB PRO 12 -4.610 -21.137 0.163 88 HG2 PRO 12 2HG PRO 12 -6.037 -20.417 2.694 89 HG3 PRO 12 3HG PRO 12 -5.217 -19.358 1.531 90 HD2 PRO 12 2HD PRO 12 -7.907 -19.672 1.572 91 HD3 PRO 12 3HD PRO 12 -7.004 -19.366 0.075 92 H TYR 13 H TYR 13 -5.435 -24.687 0.774 93 HA TYR 13 HA TYR 13 -7.206 -25.994 2.404 94 HB2 TYR 13 2HB TYR 13 -5.300 -27.051 1.201 95 HB3 TYR 13 3HB TYR 13 -4.209 -26.402 2.420 96 HD1 TYR 13 HD1 TYR 13 -7.408 -28.348 2.341 97 HD2 TYR 13 HD2 TYR 13 -3.532 -27.892 4.036 98 HE1 TYR 13 HE1 TYR 13 -7.787 -30.342 3.730 99 HE2 TYR 13 HE2 TYR 13 -3.900 -29.886 5.428 100 HH TYR 13 HH TYR 13 -6.890 -31.245 5.938 Start of MODEL 19 1 H1 LEU 1 H LEU 1 0.647 1.203 -0.652 2 HA LEU 1 HA LEU 1 -0.257 2.076 -2.552 3 HB2 LEU 1 2HB LEU 1 2.582 2.388 -3.509 4 HB3 LEU 1 3HB LEU 1 1.155 3.189 -4.161 5 HG LEU 1 HG LEU 1 1.097 4.013 -1.566 6 HD11 LEU 1 1HD1 LEU 1 3.887 4.619 -2.015 7 HD12 LEU 1 2HD1 LEU 1 3.619 2.887 -1.825 8 HD13 LEU 1 3HD1 LEU 1 3.083 4.004 -0.570 9 HD21 LEU 1 1HD2 LEU 1 1.932 5.118 -4.151 10 HD22 LEU 1 2HD2 LEU 1 2.553 5.983 -2.745 11 HD23 LEU 1 3HD2 LEU 1 0.815 5.759 -2.947 12 H GLY 2 H GLY 2 -0.882 1.396 -4.636 13 HA2 GLY 2 2HA GLY 2 -1.023 -0.031 -6.451 14 HA3 GLY 2 3HA GLY 2 0.549 -0.683 -6.010 15 H GLN 3 H GLN 3 -2.899 -0.810 -5.257 16 HA GLN 3 HA GLN 3 -3.082 -2.752 -3.386 17 HB2 GLN 3 2HB GLN 3 -4.764 -2.678 -5.897 18 HB3 GLN 3 3HB GLN 3 -5.210 -3.418 -4.365 19 HG2 GLN 3 2HG GLN 3 -5.199 -1.232 -3.293 20 HG3 GLN 3 3HG GLN 3 -4.726 -0.482 -4.817 21 HE21 GLN 3 1HE2 GLN 3 -7.090 -0.046 -3.155 22 HE22 GLN 3 2HE2 GLN 3 -8.451 -0.351 -4.174 23 H GLN 4 H GLN 4 -1.963 -4.574 -3.193 24 HA GLN 4 HA GLN 4 -0.628 -5.953 -5.173 25 HB2 GLN 4 2HB GLN 4 -0.796 -7.937 -3.566 26 HB3 GLN 4 3HB GLN 4 -0.043 -6.469 -2.958 27 HG2 GLN 4 2HG GLN 4 -1.553 -6.252 -1.349 28 HG3 GLN 4 3HG GLN 4 -2.891 -6.482 -2.473 29 HE21 GLN 4 1HE2 GLN 4 -3.972 -8.349 -2.446 30 HE22 GLN 4 2HE2 GLN 4 -3.541 -9.731 -1.503 31 H GLN 5 H GLN 5 -1.036 -7.951 -6.244 32 HA GLN 5 HA GLN 5 -3.473 -8.106 -7.567 33 HB2 GLN 5 2HB GLN 5 -1.491 -9.121 -8.494 34 HB3 GLN 5 3HB GLN 5 -1.371 -10.231 -7.136 35 HG2 GLN 5 2HG GLN 5 -3.582 -11.179 -7.842 36 HG3 GLN 5 3HG GLN 5 -3.453 -10.198 -9.301 37 HE21 GLN 5 1HE2 GLN 5 -3.687 -12.860 -9.574 38 HE22 GLN 5 2HE2 GLN 5 -2.193 -13.556 -10.091 39 HA PRO 6 HA PRO 6 -6.166 -10.003 -4.633 40 HB2 PRO 6 2HB PRO 6 -8.093 -10.826 -6.359 41 HB3 PRO 6 3HB PRO 6 -7.884 -9.135 -5.889 42 HG2 PRO 6 2HG PRO 6 -6.958 -10.541 -8.365 43 HG3 PRO 6 3HG PRO 6 -7.700 -8.939 -8.199 44 HD2 PRO 6 2HD PRO 6 -5.032 -9.284 -8.505 45 HD3 PRO 6 3HD PRO 6 -5.720 -7.949 -7.558 46 H PHE 7 H PHE 7 -6.000 -11.929 -3.687 47 HA PHE 7 HA PHE 7 -4.651 -14.111 -4.653 48 HB2 PHE 7 2HB PHE 7 -6.043 -15.432 -2.937 49 HB3 PHE 7 3HB PHE 7 -5.072 -14.089 -2.342 50 HD1 PHE 7 HD1 PHE 7 -6.055 -12.364 -1.130 51 HD2 PHE 7 HD2 PHE 7 -8.511 -15.005 -3.389 52 HE1 PHE 7 HE1 PHE 7 -8.060 -11.366 -0.110 53 HE2 PHE 7 HE2 PHE 7 -10.520 -14.012 -2.374 54 HZ PHE 7 HZ PHE 7 -10.296 -12.189 -0.733 55 HA PRO 8 HA PRO 8 -7.198 -16.239 -7.522 56 HB2 PRO 8 2HB PRO 8 -6.625 -18.831 -6.957 57 HB3 PRO 8 3HB PRO 8 -5.482 -17.748 -7.761 58 HG2 PRO 8 2HG PRO 8 -5.620 -18.558 -4.882 59 HG3 PRO 8 3HG PRO 8 -4.201 -18.406 -5.935 60 HD2 PRO 8 2HD PRO 8 -4.895 -16.500 -4.142 61 HD3 PRO 8 3HD PRO 8 -4.103 -16.117 -5.684 62 HA PRO 9 HA PRO 9 -11.019 -17.558 -5.792 63 HB2 PRO 9 2HB PRO 9 -11.812 -19.511 -7.503 64 HB3 PRO 9 3HB PRO 9 -11.809 -17.797 -7.936 65 HG2 PRO 9 2HG PRO 9 -9.796 -19.917 -8.582 66 HG3 PRO 9 3HG PRO 9 -10.455 -18.644 -9.626 67 HD2 PRO 9 2HD PRO 9 -8.026 -18.448 -8.446 68 HD3 PRO 9 3HD PRO 9 -9.050 -17.034 -8.762 69 H GLN 10 H GLN 10 -12.067 -19.179 -4.581 70 HA GLN 10 HA GLN 10 -12.197 -20.944 -3.154 71 HB2 GLN 10 2HB GLN 10 -11.259 -21.992 -5.618 72 HB3 GLN 10 3HB GLN 10 -10.362 -22.794 -4.336 73 HG2 GLN 10 2HG GLN 10 -12.090 -24.174 -4.183 74 HG3 GLN 10 3HG GLN 10 -12.947 -22.843 -3.407 75 HE21 GLN 10 1HE2 GLN 10 -13.960 -21.278 -5.013 76 HE22 GLN 10 2HE2 GLN 10 -14.796 -21.991 -6.346 77 H GLN 11 H GLN 11 -11.223 -20.158 -1.344 78 HA GLN 11 HA GLN 11 -8.534 -19.633 -0.948 79 HB2 GLN 11 2HB GLN 11 -9.073 -20.039 1.514 80 HB3 GLN 11 3HB GLN 11 -10.029 -18.821 0.679 81 HG2 GLN 11 2HG GLN 11 -11.936 -20.077 0.731 82 HG3 GLN 11 3HG GLN 11 -11.060 -21.605 0.784 83 HE21 GLN 11 1HE2 GLN 11 -13.120 -21.341 2.447 84 HE22 GLN 11 2HE2 GLN 11 -12.588 -21.121 4.076 85 HA PRO 12 HA PRO 12 -6.455 -23.482 -0.610 86 HB2 PRO 12 2HB PRO 12 -4.610 -22.936 1.306 87 HB3 PRO 12 3HB PRO 12 -4.516 -22.281 -0.334 88 HG2 PRO 12 2HG PRO 12 -5.521 -20.983 2.169 89 HG3 PRO 12 3HG PRO 12 -4.492 -20.306 0.894 90 HD2 PRO 12 2HD PRO 12 -7.147 -19.797 1.047 91 HD3 PRO 12 3HD PRO 12 -6.280 -19.886 -0.499 92 H TYR 13 H TYR 13 -7.330 -25.253 0.250 93 HA TYR 13 HA TYR 13 -8.874 -25.463 2.503 94 HB2 TYR 13 2HB TYR 13 -8.819 -27.265 0.924 95 HB3 TYR 13 3HB TYR 13 -7.102 -27.534 1.202 96 HD1 TYR 13 HD1 TYR 13 -10.481 -28.045 2.522 97 HD2 TYR 13 HD2 TYR 13 -6.331 -28.724 3.172 98 HE1 TYR 13 HE1 TYR 13 -11.029 -29.711 4.247 99 HE2 TYR 13 HE2 TYR 13 -6.868 -30.393 4.897 100 HH TYR 13 HH TYR 13 -9.242 -30.674 6.508 Start of MODEL 20 1 H1 LEU 1 H LEU 1 2.406 -3.311 -5.219 2 HA LEU 1 HA LEU 1 2.551 -3.686 -2.972 3 HB2 LEU 1 2HB LEU 1 3.994 -1.917 -1.789 4 HB3 LEU 1 3HB LEU 1 4.709 -2.863 -3.094 5 HG LEU 1 HG LEU 1 3.531 -0.288 -3.905 6 HD11 LEU 1 1HD1 LEU 1 4.635 0.098 -1.629 7 HD12 LEU 1 2HD1 LEU 1 5.148 1.115 -2.975 8 HD13 LEU 1 3HD1 LEU 1 6.156 -0.236 -2.457 9 HD21 LEU 1 1HD2 LEU 1 5.440 -0.219 -5.333 10 HD22 LEU 1 2HD2 LEU 1 4.803 -1.864 -5.373 11 HD23 LEU 1 3HD2 LEU 1 6.242 -1.497 -4.420 12 H GLY 2 H GLY 2 0.318 -3.487 -2.513 13 HA2 GLY 2 2HA GLY 2 -0.684 -2.354 -0.441 14 HA3 GLY 2 3HA GLY 2 -0.511 -0.889 -1.396 15 H GLN 3 H GLN 3 -1.373 -1.528 -3.840 16 HA GLN 3 HA GLN 3 -4.064 -1.287 -3.822 17 HB2 GLN 3 2HB GLN 3 -2.539 -2.897 -5.875 18 HB3 GLN 3 3HB GLN 3 -4.099 -2.121 -6.110 19 HG2 GLN 3 2HG GLN 3 -3.068 0.066 -5.817 20 HG3 GLN 3 3HG GLN 3 -1.503 -0.702 -5.555 21 HE21 GLN 3 1HE2 GLN 3 -3.277 0.883 -7.758 22 HE22 GLN 3 2HE2 GLN 3 -2.600 0.251 -9.216 23 H GLN 4 H GLN 4 -5.660 -2.459 -3.012 24 HA GLN 4 HA GLN 4 -5.444 -4.979 -1.910 25 HB2 GLN 4 2HB GLN 4 -7.985 -5.060 -2.211 26 HB3 GLN 4 3HB GLN 4 -7.325 -3.717 -1.287 27 HG2 GLN 4 2HG GLN 4 -7.533 -3.099 -4.109 28 HG3 GLN 4 3HG GLN 4 -9.084 -3.555 -3.406 29 HE21 GLN 4 1HE2 GLN 4 -10.110 -1.674 -3.196 30 HE22 GLN 4 2HE2 GLN 4 -9.511 -0.303 -2.332 31 H GLN 5 H GLN 5 -4.691 -6.700 -2.983 32 HA GLN 5 HA GLN 5 -5.439 -7.181 -5.742 33 HB2 GLN 5 2HB GLN 5 -3.129 -7.583 -5.032 34 HB3 GLN 5 3HB GLN 5 -3.686 -8.775 -3.864 35 HG2 GLN 5 2HG GLN 5 -3.064 -10.159 -5.549 36 HG3 GLN 5 3HG GLN 5 -4.742 -9.877 -6.011 37 HE21 GLN 5 1HE2 GLN 5 -3.441 -10.700 -8.023 38 HE22 GLN 5 2HE2 GLN 5 -2.918 -9.447 -9.092 39 HA PRO 6 HA PRO 6 -8.856 -9.801 -4.772 40 HB2 PRO 6 2HB PRO 6 -9.089 -11.021 -7.186 41 HB3 PRO 6 3HB PRO 6 -9.597 -9.352 -6.900 42 HG2 PRO 6 2HG PRO 6 -7.071 -10.377 -8.137 43 HG3 PRO 6 3HG PRO 6 -8.098 -9.025 -8.648 44 HD2 PRO 6 2HD PRO 6 -5.802 -8.666 -7.259 45 HD3 PRO 6 3HD PRO 6 -7.202 -7.589 -7.083 46 H PHE 7 H PHE 7 -8.748 -11.590 -3.582 47 HA PHE 7 HA PHE 7 -6.651 -13.345 -3.386 48 HB2 PHE 7 2HB PHE 7 -8.421 -14.990 -2.499 49 HB3 PHE 7 3HB PHE 7 -8.254 -13.445 -1.671 50 HD1 PHE 7 HD1 PHE 7 -10.096 -12.064 -1.377 51 HD2 PHE 7 HD2 PHE 7 -10.260 -15.186 -4.265 52 HE1 PHE 7 HE1 PHE 7 -12.494 -11.624 -1.713 53 HE2 PHE 7 HE2 PHE 7 -12.657 -14.750 -4.606 54 HZ PHE 7 HZ PHE 7 -13.777 -12.966 -3.330 55 HA PRO 8 HA PRO 8 -6.687 -16.042 -6.845 56 HB2 PRO 8 2HB PRO 8 -5.960 -18.402 -5.717 57 HB3 PRO 8 3HB PRO 8 -4.836 -17.056 -5.937 58 HG2 PRO 8 2HG PRO 8 -6.335 -17.890 -3.484 59 HG3 PRO 8 3HG PRO 8 -4.647 -17.371 -3.641 60 HD2 PRO 8 2HD PRO 8 -6.603 -15.719 -2.761 61 HD3 PRO 8 3HD PRO 8 -5.207 -15.136 -3.690 62 HA PRO 9 HA PRO 9 -10.433 -18.313 -7.226 63 HB2 PRO 9 2HB PRO 9 -9.716 -20.395 -8.814 64 HB3 PRO 9 3HB PRO 9 -9.854 -18.736 -9.409 65 HG2 PRO 9 2HG PRO 9 -7.408 -20.261 -8.602 66 HG3 PRO 9 3HG PRO 9 -7.652 -19.196 -9.999 67 HD2 PRO 9 2HD PRO 9 -6.370 -18.386 -7.756 68 HD3 PRO 9 3HD PRO 9 -7.338 -17.282 -8.753 69 H GLN 10 H GLN 10 -10.840 -19.048 -5.133 70 HA GLN 10 HA GLN 10 -11.182 -20.573 -3.481 71 HB2 GLN 10 2HB GLN 10 -11.226 -22.043 -5.951 72 HB3 GLN 10 3HB GLN 10 -10.526 -23.042 -4.683 73 HG2 GLN 10 2HG GLN 10 -12.518 -22.512 -3.276 74 HG3 GLN 10 3HG GLN 10 -13.226 -21.721 -4.684 75 HE21 GLN 10 1HE2 GLN 10 -11.446 -24.749 -4.164 76 HE22 GLN 10 2HE2 GLN 10 -12.617 -25.766 -4.924 77 H GLN 11 H GLN 11 -9.565 -20.129 -2.058 78 HA GLN 11 HA GLN 11 -6.851 -20.646 -2.375 79 HB2 GLN 11 2HB GLN 11 -6.616 -20.224 -0.058 80 HB3 GLN 11 3HB GLN 11 -7.970 -19.234 -0.589 81 HG2 GLN 11 2HG GLN 11 -9.170 -21.589 0.183 82 HG3 GLN 11 3HG GLN 11 -7.878 -21.378 1.364 83 HE21 GLN 11 1HE2 GLN 11 -10.998 -20.901 1.019 84 HE22 GLN 11 2HE2 GLN 11 -11.223 -19.442 1.916 85 HA PRO 12 HA PRO 12 -6.331 -24.978 -1.898 86 HB2 PRO 12 2HB PRO 12 -3.916 -25.076 -0.662 87 HB3 PRO 12 3HB PRO 12 -4.107 -24.637 -2.363 88 HG2 PRO 12 2HG PRO 12 -3.745 -22.863 0.021 89 HG3 PRO 12 3HG PRO 12 -2.993 -22.752 -1.582 90 HD2 PRO 12 2HD PRO 12 -5.097 -21.213 -0.849 91 HD3 PRO 12 3HD PRO 12 -4.847 -21.756 -2.521 92 H TYR 13 H TYR 13 -7.318 -26.302 -0.520 93 HA TYR 13 HA TYR 13 -8.257 -27.115 1.397 94 HB2 TYR 13 2HB TYR 13 -6.321 -28.173 1.990 95 HB3 TYR 13 3HB TYR 13 -5.374 -26.690 1.966 96 HD1 TYR 13 HD1 TYR 13 -7.783 -28.660 3.970 97 HD2 TYR 13 HD2 TYR 13 -4.970 -25.468 3.953 98 HE1 TYR 13 HE1 TYR 13 -7.887 -28.564 6.426 99 HE2 TYR 13 HE2 TYR 13 -5.065 -25.363 6.409 100 HH TYR 13 HH TYR 13 -6.490 -25.985 8.223 Start of MODEL 21 1 H1 LEU 1 H LEU 1 2.314 0.686 -8.009 2 HA LEU 1 HA LEU 1 -0.366 -0.533 -8.079 3 HB2 LEU 1 2HB LEU 1 0.978 -2.571 -7.211 4 HB3 LEU 1 3HB LEU 1 1.025 -2.156 -8.923 5 HG LEU 1 HG LEU 1 3.167 -1.029 -7.214 6 HD11 LEU 1 1HD1 LEU 1 3.487 -3.070 -6.270 7 HD12 LEU 1 2HD1 LEU 1 4.353 -3.334 -7.783 8 HD13 LEU 1 3HD1 LEU 1 2.705 -3.932 -7.595 9 HD21 LEU 1 1HD2 LEU 1 4.100 -0.691 -9.200 10 HD22 LEU 1 2HD2 LEU 1 2.617 -1.291 -9.943 11 HD23 LEU 1 3HD2 LEU 1 3.953 -2.398 -9.619 12 H GLY 2 H GLY 2 -1.285 0.598 -6.375 13 HA2 GLY 2 2HA GLY 2 0.048 0.387 -3.761 14 HA3 GLY 2 3HA GLY 2 -1.243 1.510 -4.161 15 H GLN 3 H GLN 3 -3.322 0.273 -4.926 16 HA GLN 3 HA GLN 3 -4.546 -0.885 -2.813 17 HB2 GLN 3 2HB GLN 3 -5.033 -1.695 -5.684 18 HB3 GLN 3 3HB GLN 3 -6.170 -1.847 -4.351 19 HG2 GLN 3 2HG GLN 3 -6.255 0.577 -4.133 20 HG3 GLN 3 3HG GLN 3 -5.096 0.740 -5.451 21 HE21 GLN 3 1HE2 GLN 3 -6.698 2.030 -6.505 22 HE22 GLN 3 2HE2 GLN 3 -7.998 1.276 -7.357 23 H GLN 4 H GLN 4 -4.177 -2.630 -1.631 24 HA GLN 4 HA GLN 4 -2.267 -4.557 -2.125 25 HB2 GLN 4 2HB GLN 4 -3.605 -5.961 -0.454 26 HB3 GLN 4 3HB GLN 4 -3.039 -4.386 0.087 27 HG2 GLN 4 2HG GLN 4 -5.125 -3.529 0.238 28 HG3 GLN 4 3HG GLN 4 -5.737 -4.489 -1.108 29 HE21 GLN 4 1HE2 GLN 4 -6.407 -3.974 1.892 30 HE22 GLN 4 2HE2 GLN 4 -6.802 -5.556 2.463 31 H GLN 5 H GLN 5 -2.274 -6.645 -2.932 32 HA GLN 5 HA GLN 5 -4.142 -7.140 -5.048 33 HB2 GLN 5 2HB GLN 5 -1.830 -7.752 -5.366 34 HB3 GLN 5 3HB GLN 5 -1.862 -8.784 -3.943 35 HG2 GLN 5 2HG GLN 5 -3.589 -10.176 -5.111 36 HG3 GLN 5 3HG GLN 5 -3.271 -9.223 -6.560 37 HE21 GLN 5 1HE2 GLN 5 -0.954 -9.137 -7.230 38 HE22 GLN 5 2HE2 GLN 5 -0.032 -10.590 -7.088 39 HA PRO 6 HA PRO 6 -7.099 -9.476 -2.756 40 HB2 PRO 6 2HB PRO 6 -8.313 -10.712 -4.846 41 HB3 PRO 6 3HB PRO 6 -8.559 -9.003 -4.466 42 HG2 PRO 6 2HG PRO 6 -6.768 -10.248 -6.515 43 HG3 PRO 6 3HG PRO 6 -7.817 -8.826 -6.662 44 HD2 PRO 6 2HD PRO 6 -5.147 -8.630 -6.259 45 HD3 PRO 6 3HD PRO 6 -6.300 -7.441 -5.618 46 H PHE 7 H PHE 7 -7.526 -11.594 -2.086 47 HA PHE 7 HA PHE 7 -5.444 -13.374 -1.939 48 HB2 PHE 7 2HB PHE 7 -7.282 -15.117 -1.479 49 HB3 PHE 7 3HB PHE 7 -7.208 -13.710 -0.424 50 HD1 PHE 7 HD1 PHE 7 -8.867 -14.857 -3.559 51 HD2 PHE 7 HD2 PHE 7 -9.149 -12.558 0.013 52 HE1 PHE 7 HE1 PHE 7 -11.221 -14.359 -4.070 53 HE2 PHE 7 HE2 PHE 7 -11.505 -12.058 -0.492 54 HZ PHE 7 HZ PHE 7 -12.544 -12.959 -2.535 55 HA PRO 8 HA PRO 8 -5.118 -15.541 -5.739 56 HB2 PRO 8 2HB PRO 8 -4.489 -18.044 -4.898 57 HB3 PRO 8 3HB PRO 8 -3.358 -16.688 -4.808 58 HG2 PRO 8 2HG PRO 8 -5.086 -17.859 -2.662 59 HG3 PRO 8 3HG PRO 8 -3.394 -17.334 -2.575 60 HD2 PRO 8 2HD PRO 8 -5.440 -15.813 -1.662 61 HD3 PRO 8 3HD PRO 8 -3.964 -15.111 -2.355 62 HA PRO 9 HA PRO 9 -8.791 -17.706 -6.813 63 HB2 PRO 9 2HB PRO 9 -7.904 -19.541 -8.607 64 HB3 PRO 9 3HB PRO 9 -7.996 -17.813 -8.966 65 HG2 PRO 9 2HG PRO 9 -5.630 -19.455 -8.151 66 HG3 PRO 9 3HG PRO 9 -5.743 -18.197 -9.396 67 HD2 PRO 9 2HD PRO 9 -4.694 -17.730 -6.943 68 HD3 PRO 9 3HD PRO 9 -5.568 -16.486 -7.861 69 H GLN 10 H GLN 10 -9.949 -19.142 -5.703 70 HA GLN 10 HA GLN 10 -10.564 -20.987 -4.524 71 HB2 GLN 10 2HB GLN 10 -9.540 -22.025 -6.696 72 HB3 GLN 10 3HB GLN 10 -8.232 -22.511 -5.626 73 HG2 GLN 10 2HG GLN 10 -10.802 -23.157 -4.490 74 HG3 GLN 10 3HG GLN 10 -10.611 -23.862 -6.095 75 HE21 GLN 10 1HE2 GLN 10 -8.717 -25.175 -6.474 76 HE22 GLN 10 2HE2 GLN 10 -8.022 -26.064 -5.166 77 H GLN 11 H GLN 11 -10.179 -20.375 -2.450 78 HA GLN 11 HA GLN 11 -7.751 -19.958 -1.206 79 HB2 GLN 11 2HB GLN 11 -8.901 -20.074 0.861 80 HB3 GLN 11 3HB GLN 11 -10.071 -19.470 -0.305 81 HG2 GLN 11 2HG GLN 11 -10.830 -21.895 -0.534 82 HG3 GLN 11 3HG GLN 11 -9.900 -22.191 0.934 83 HE21 GLN 11 1HE2 GLN 11 -10.592 -21.313 2.876 84 HE22 GLN 11 2HE2 GLN 11 -12.184 -20.675 3.087 85 HA PRO 12 HA PRO 12 -5.838 -23.868 -0.650 86 HB2 PRO 12 2HB PRO 12 -4.567 -23.490 1.719 87 HB3 PRO 12 3HB PRO 12 -4.040 -22.728 0.214 88 HG2 PRO 12 2HG PRO 12 -5.673 -21.583 2.447 89 HG3 PRO 12 3HG PRO 12 -4.341 -20.842 1.540 90 HD2 PRO 12 2HD PRO 12 -6.941 -20.292 1.021 91 HD3 PRO 12 3HD PRO 12 -5.695 -20.293 -0.243 92 H TYR 13 H TYR 13 -7.828 -25.065 -0.384 93 HA TYR 13 HA TYR 13 -9.344 -25.368 1.877 94 HB2 TYR 13 2HB TYR 13 -9.668 -26.461 -0.401 95 HB3 TYR 13 3HB TYR 13 -8.550 -27.707 0.144 96 HD1 TYR 13 HD1 TYR 13 -9.744 -29.645 0.539 97 HD2 TYR 13 HD2 TYR 13 -11.357 -25.939 1.867 98 HE1 TYR 13 HE1 TYR 13 -11.601 -30.846 1.615 99 HE2 TYR 13 HE2 TYR 13 -13.218 -27.129 2.947 100 HH TYR 13 HH TYR 13 -13.809 -29.273 3.758 Start of MODEL 22 1 H1 LEU 1 H LEU 1 1.430 0.501 -6.256 2 HA LEU 1 HA LEU 1 2.541 -1.530 -4.451 3 HB2 LEU 1 2HB LEU 1 3.122 1.399 -4.813 4 HB3 LEU 1 3HB LEU 1 3.742 0.463 -3.454 5 HG LEU 1 HG LEU 1 4.311 -0.616 -6.145 6 HD11 LEU 1 1HD1 LEU 1 5.698 0.998 -6.899 7 HD12 LEU 1 2HD1 LEU 1 6.146 1.527 -5.278 8 HD13 LEU 1 3HD1 LEU 1 4.613 2.043 -5.981 9 HD21 LEU 1 1HD2 LEU 1 6.615 -0.391 -4.600 10 HD22 LEU 1 2HD2 LEU 1 5.617 -1.829 -4.816 11 HD23 LEU 1 3HD2 LEU 1 5.330 -0.752 -3.447 12 H GLY 2 H GLY 2 0.540 -2.052 -3.452 13 HA2 GLY 2 2HA GLY 2 -0.146 -1.421 -1.071 14 HA3 GLY 2 3HA GLY 2 -0.624 0.101 -1.807 15 H GLN 3 H GLN 3 -1.826 -0.719 -4.126 16 HA GLN 3 HA GLN 3 -4.414 -1.167 -3.493 17 HB2 GLN 3 2HB GLN 3 -3.056 -2.333 -5.929 18 HB3 GLN 3 3HB GLN 3 -4.771 -1.977 -5.762 19 HG2 GLN 3 2HG GLN 3 -4.270 0.399 -5.574 20 HG3 GLN 3 3HG GLN 3 -2.548 0.052 -5.715 21 HE21 GLN 3 1HE2 GLN 3 -5.621 -0.401 -7.408 22 HE22 GLN 3 2HE2 GLN 3 -4.969 -0.240 -9.000 23 H GLN 4 H GLN 4 -5.398 -2.697 -2.366 24 HA GLN 4 HA GLN 4 -4.316 -5.097 -1.542 25 HB2 GLN 4 2HB GLN 4 -6.754 -5.796 -1.196 26 HB3 GLN 4 3HB GLN 4 -6.208 -4.341 -0.373 27 HG2 GLN 4 2HG GLN 4 -7.637 -3.035 -1.478 28 HG3 GLN 4 3HG GLN 4 -7.323 -3.832 -3.018 29 HE21 GLN 4 1HE2 GLN 4 -9.606 -3.621 -3.383 30 HE22 GLN 4 2HE2 GLN 4 -10.698 -4.772 -2.699 31 H GLN 5 H GLN 5 -3.604 -6.717 -2.754 32 HA GLN 5 HA GLN 5 -4.450 -7.197 -5.413 33 HB2 GLN 5 2HB GLN 5 -2.223 -7.819 -4.724 34 HB3 GLN 5 3HB GLN 5 -2.859 -8.898 -3.490 35 HG2 GLN 5 2HG GLN 5 -3.904 -10.234 -5.336 36 HG3 GLN 5 3HG GLN 5 -2.998 -9.236 -6.472 37 HE21 GLN 5 1HE2 GLN 5 -2.471 -11.752 -6.732 38 HE22 GLN 5 2HE2 GLN 5 -0.974 -12.209 -6.001 39 HA PRO 6 HA PRO 6 -8.091 -9.584 -4.702 40 HB2 PRO 6 2HB PRO 6 -8.277 -10.737 -7.152 41 HB3 PRO 6 3HB PRO 6 -8.675 -9.041 -6.857 42 HG2 PRO 6 2HG PRO 6 -6.166 -10.231 -7.975 43 HG3 PRO 6 3HG PRO 6 -7.059 -8.796 -8.511 44 HD2 PRO 6 2HD PRO 6 -4.825 -8.637 -6.989 45 HD3 PRO 6 3HD PRO 6 -6.149 -7.461 -6.868 46 H PHE 7 H PHE 7 -8.145 -11.379 -3.517 47 HA PHE 7 HA PHE 7 -6.201 -13.299 -3.281 48 HB2 PHE 7 2HB PHE 7 -8.124 -14.805 -2.470 49 HB3 PHE 7 3HB PHE 7 -7.860 -13.288 -1.616 50 HD1 PHE 7 HD1 PHE 7 -9.592 -11.763 -1.364 51 HD2 PHE 7 HD2 PHE 7 -9.919 -14.839 -4.288 52 HE1 PHE 7 HE1 PHE 7 -11.935 -11.128 -1.766 53 HE2 PHE 7 HE2 PHE 7 -12.261 -14.208 -4.695 54 HZ PHE 7 HZ PHE 7 -13.273 -12.350 -3.434 55 HA PRO 8 HA PRO 8 -6.346 -15.947 -6.776 56 HB2 PRO 8 2HB PRO 8 -5.846 -18.370 -5.657 57 HB3 PRO 8 3HB PRO 8 -4.611 -17.116 -5.826 58 HG2 PRO 8 2HG PRO 8 -6.247 -17.854 -3.430 59 HG3 PRO 8 3HG PRO 8 -4.519 -17.471 -3.529 60 HD2 PRO 8 2HD PRO 8 -6.363 -15.676 -2.686 61 HD3 PRO 8 3HD PRO 8 -4.896 -15.197 -3.565 62 HA PRO 9 HA PRO 9 -10.248 -17.904 -7.299 63 HB2 PRO 9 2HB PRO 9 -9.651 -20.019 -8.893 64 HB3 PRO 9 3HB PRO 9 -9.638 -18.348 -9.469 65 HG2 PRO 9 2HG PRO 9 -7.347 -20.074 -8.610 66 HG3 PRO 9 3HG PRO 9 -7.463 -18.977 -9.999 67 HD2 PRO 9 2HD PRO 9 -6.189 -18.298 -7.708 68 HD3 PRO 9 3HD PRO 9 -7.035 -17.109 -8.719 69 H GLN 10 H GLN 10 -11.001 -18.727 -5.401 70 HA GLN 10 HA GLN 10 -11.550 -20.253 -3.806 71 HB2 GLN 10 2HB GLN 10 -11.747 -21.574 -6.141 72 HB3 GLN 10 3HB GLN 10 -10.503 -22.546 -5.366 73 HG2 GLN 10 2HG GLN 10 -12.733 -21.974 -3.598 74 HG3 GLN 10 3HG GLN 10 -13.221 -22.827 -5.062 75 HE21 GLN 10 1HE2 GLN 10 -11.451 -22.992 -2.103 76 HE22 GLN 10 2HE2 GLN 10 -11.100 -24.682 -2.158 77 H GLN 11 H GLN 11 -10.142 -19.789 -2.179 78 HA GLN 11 HA GLN 11 -7.420 -20.230 -2.086 79 HB2 GLN 11 2HB GLN 11 -7.550 -19.940 0.260 80 HB3 GLN 11 3HB GLN 11 -8.854 -18.972 -0.416 81 HG2 GLN 11 2HG GLN 11 -10.290 -21.095 0.020 82 HG3 GLN 11 3HG GLN 11 -8.992 -21.512 1.137 83 HE21 GLN 11 1HE2 GLN 11 -9.156 -20.770 3.127 84 HE22 GLN 11 2HE2 GLN 11 -10.151 -19.455 3.642 85 HA PRO 12 HA PRO 12 -6.770 -24.559 -1.766 86 HB2 PRO 12 2HB PRO 12 -4.562 -24.635 -0.189 87 HB3 PRO 12 3HB PRO 12 -4.520 -24.104 -1.874 88 HG2 PRO 12 2HG PRO 12 -4.599 -22.463 0.628 89 HG3 PRO 12 3HG PRO 12 -3.625 -22.226 -0.835 90 HD2 PRO 12 2HD PRO 12 -5.885 -20.817 -0.346 91 HD3 PRO 12 3HD PRO 12 -5.365 -21.250 -1.988 92 H TYR 13 H TYR 13 -6.709 -26.368 -0.277 93 HA TYR 13 HA TYR 13 -8.625 -26.344 1.680 94 HB2 TYR 13 2HB TYR 13 -7.801 -28.427 0.800 95 HB3 TYR 13 3HB TYR 13 -6.191 -28.119 1.440 96 HD1 TYR 13 HD1 TYR 13 -5.597 -28.895 3.563 97 HD2 TYR 13 HD2 TYR 13 -9.711 -28.704 2.493 98 HE1 TYR 13 HE1 TYR 13 -6.184 -30.089 5.631 99 HE2 TYR 13 HE2 TYR 13 -10.309 -29.896 4.559 100 HH TYR 13 HH TYR 13 -8.335 -31.649 6.307 Start of MODEL 23 1 H1 LEU 1 H LEU 1 0.860 1.585 -0.007 2 HA LEU 1 HA LEU 1 1.042 1.833 -2.261 3 HB2 LEU 1 2HB LEU 1 3.915 1.605 -1.474 4 HB3 LEU 1 3HB LEU 1 3.470 1.608 -3.179 5 HG LEU 1 HG LEU 1 2.355 3.810 -1.564 6 HD11 LEU 1 1HD1 LEU 1 4.269 4.442 -0.632 7 HD12 LEU 1 2HD1 LEU 1 4.876 4.751 -2.258 8 HD13 LEU 1 3HD1 LEU 1 5.175 3.193 -1.488 9 HD21 LEU 1 1HD2 LEU 1 3.113 5.070 -3.595 10 HD22 LEU 1 2HD2 LEU 1 1.946 3.785 -3.909 11 HD23 LEU 1 3HD2 LEU 1 3.654 3.531 -4.267 12 H GLY 2 H GLY 2 0.793 0.527 -4.034 13 HA2 GLY 2 2HA GLY 2 1.382 -1.433 -5.317 14 HA3 GLY 2 3HA GLY 2 1.787 -2.239 -3.809 15 H GLN 3 H GLN 3 -0.845 -1.105 -5.838 16 HA GLN 3 HA GLN 3 -3.085 -1.704 -4.450 17 HB2 GLN 3 2HB GLN 3 -2.615 -2.539 -7.317 18 HB3 GLN 3 3HB GLN 3 -4.175 -2.258 -6.556 19 HG2 GLN 3 2HG GLN 3 -3.620 0.095 -6.261 20 HG3 GLN 3 3HG GLN 3 -2.043 -0.180 -6.999 21 HE21 GLN 3 1HE2 GLN 3 -5.408 0.277 -7.530 22 HE22 GLN 3 2HE2 GLN 3 -5.353 0.327 -9.256 23 H GLN 4 H GLN 4 -3.434 -3.367 -3.131 24 HA GLN 4 HA GLN 4 -2.219 -5.842 -3.165 25 HB2 GLN 4 2HB GLN 4 -4.287 -6.603 -1.863 26 HB3 GLN 4 3HB GLN 4 -3.364 -5.262 -1.199 27 HG2 GLN 4 2HG GLN 4 -5.113 -3.907 -1.289 28 HG3 GLN 4 3HG GLN 4 -5.430 -4.320 -2.974 29 HE21 GLN 4 1HE2 GLN 4 -6.847 -6.009 -3.449 30 HE22 GLN 4 2HE2 GLN 4 -7.966 -6.617 -2.282 31 H GLN 5 H GLN 5 -2.561 -7.765 -4.152 32 HA GLN 5 HA GLN 5 -4.345 -7.766 -6.444 33 HB2 GLN 5 2HB GLN 5 -2.104 -8.583 -6.809 34 HB3 GLN 5 3HB GLN 5 -2.265 -9.740 -5.494 35 HG2 GLN 5 2HG GLN 5 -4.109 -10.823 -6.802 36 HG3 GLN 5 3HG GLN 5 -3.672 -9.772 -8.148 37 HE21 GLN 5 1HE2 GLN 5 -2.378 -10.661 -9.573 38 HE22 GLN 5 2HE2 GLN 5 -1.215 -11.902 -9.268 39 HA PRO 6 HA PRO 6 -7.563 -9.991 -4.406 40 HB2 PRO 6 2HB PRO 6 -8.866 -10.884 -6.614 41 HB3 PRO 6 3HB PRO 6 -8.940 -9.204 -6.069 42 HG2 PRO 6 2HG PRO 6 -7.256 -10.425 -8.222 43 HG3 PRO 6 3HG PRO 6 -8.150 -8.894 -8.234 44 HD2 PRO 6 2HD PRO 6 -5.480 -9.018 -7.800 45 HD3 PRO 6 3HD PRO 6 -6.513 -7.783 -7.051 46 H PHE 7 H PHE 7 -7.147 -11.855 -3.402 47 HA PHE 7 HA PHE 7 -5.532 -13.915 -4.222 48 HB2 PHE 7 2HB PHE 7 -6.966 -15.351 -2.639 49 HB3 PHE 7 3HB PHE 7 -6.173 -13.932 -1.961 50 HD1 PHE 7 HD1 PHE 7 -9.402 -15.206 -3.243 51 HD2 PHE 7 HD2 PHE 7 -7.415 -12.225 -0.946 52 HE1 PHE 7 HE1 PHE 7 -11.576 -14.388 -2.431 53 HE2 PHE 7 HE2 PHE 7 -9.585 -11.402 -0.130 54 HZ PHE 7 HZ PHE 7 -11.669 -12.484 -0.872 55 HA PRO 8 HA PRO 8 -7.605 -16.243 -7.308 56 HB2 PRO 8 2HB PRO 8 -6.873 -18.780 -6.675 57 HB3 PRO 8 3HB PRO 8 -5.754 -17.602 -7.372 58 HG2 PRO 8 2HG PRO 8 -6.098 -18.427 -4.515 59 HG3 PRO 8 3HG PRO 8 -4.602 -18.154 -5.429 60 HD2 PRO 8 2HD PRO 8 -5.623 -16.316 -3.721 61 HD3 PRO 8 3HD PRO 8 -4.722 -15.865 -5.183 62 HA PRO 9 HA PRO 9 -11.450 -17.883 -5.943 63 HB2 PRO 9 2HB PRO 9 -11.908 -19.892 -7.710 64 HB3 PRO 9 3HB PRO 9 -12.008 -18.184 -8.152 65 HG2 PRO 9 2HG PRO 9 -9.771 -20.125 -8.588 66 HG3 PRO 9 3HG PRO 9 -10.432 -18.911 -9.699 67 HD2 PRO 9 2HD PRO 9 -8.152 -18.513 -8.293 68 HD3 PRO 9 3HD PRO 9 -9.257 -17.189 -8.715 69 H GLN 10 H GLN 10 -12.094 -19.201 -4.351 70 HA GLN 10 HA GLN 10 -12.159 -20.913 -2.855 71 HB2 GLN 10 2HB GLN 10 -12.265 -22.145 -5.201 72 HB3 GLN 10 3HB GLN 10 -10.687 -22.738 -4.698 73 HG2 GLN 10 2HG GLN 10 -11.685 -23.627 -2.646 74 HG3 GLN 10 3HG GLN 10 -13.265 -23.054 -3.178 75 HE21 GLN 10 1HE2 GLN 10 -11.953 -25.772 -2.679 76 HE22 GLN 10 2HE2 GLN 10 -12.388 -26.691 -4.076 77 H GLN 11 H GLN 11 -10.813 -20.230 -1.264 78 HA GLN 11 HA GLN 11 -8.070 -19.933 -1.347 79 HB2 GLN 11 2HB GLN 11 -8.106 -19.842 1.018 80 HB3 GLN 11 3HB GLN 11 -9.662 -19.214 0.491 81 HG2 GLN 11 2HG GLN 11 -10.153 -21.899 0.802 82 HG3 GLN 11 3HG GLN 11 -9.037 -21.538 2.118 83 HE21 GLN 11 1HE2 GLN 11 -12.122 -20.722 0.678 84 HE22 GLN 11 2HE2 GLN 11 -12.813 -20.014 2.094 85 HA PRO 12 HA PRO 12 -6.290 -23.944 -1.418 86 HB2 PRO 12 2HB PRO 12 -4.033 -23.534 0.034 87 HB3 PRO 12 3HB PRO 12 -4.251 -22.901 -1.602 88 HG2 PRO 12 2HG PRO 12 -4.579 -21.508 1.028 89 HG3 PRO 12 3HG PRO 12 -3.807 -20.925 -0.458 90 HD2 PRO 12 2HD PRO 12 -6.316 -20.204 0.258 91 HD3 PRO 12 3HD PRO 12 -5.819 -20.373 -1.438 92 H TYR 13 H TYR 13 -7.071 -25.639 -0.344 93 HA TYR 13 HA TYR 13 -8.106 -25.712 2.191 94 HB2 TYR 13 2HB TYR 13 -8.456 -27.515 0.595 95 HB3 TYR 13 3HB TYR 13 -6.756 -27.962 0.686 96 HD1 TYR 13 HD1 TYR 13 -9.161 -27.132 3.412 97 HD2 TYR 13 HD2 TYR 13 -6.714 -30.101 1.595 98 HE1 TYR 13 HE1 TYR 13 -9.670 -28.675 5.259 99 HE2 TYR 13 HE2 TYR 13 -7.218 -31.652 3.436 100 HH TYR 13 HH TYR 13 -8.656 -30.665 6.329 Start of MODEL 24 1 H1 LEU 1 H LEU 1 4.359 2.868 -2.633 2 HA LEU 1 HA LEU 1 2.226 2.141 -2.995 3 HB2 LEU 1 2HB LEU 1 2.781 4.287 -4.630 4 HB3 LEU 1 3HB LEU 1 2.070 3.115 -5.738 5 HG LEU 1 HG LEU 1 0.209 2.988 -3.873 6 HD11 LEU 1 1HD1 LEU 1 1.652 5.546 -3.325 7 HD12 LEU 1 2HD1 LEU 1 0.975 4.374 -2.195 8 HD13 LEU 1 3HD1 LEU 1 -0.094 5.447 -3.097 9 HD21 LEU 1 1HD2 LEU 1 -0.922 4.937 -5.061 10 HD22 LEU 1 2HD2 LEU 1 -0.378 3.592 -6.063 11 HD23 LEU 1 3HD2 LEU 1 0.566 5.081 -5.997 12 H GLY 2 H GLY 2 1.039 0.442 -3.806 13 HA2 GLY 2 2HA GLY 2 1.494 -0.856 -6.256 14 HA3 GLY 2 3HA GLY 2 2.431 -1.675 -5.014 15 H GLN 3 H GLN 3 -0.843 -0.652 -5.882 16 HA GLN 3 HA GLN 3 -2.384 -1.754 -3.955 17 HB2 GLN 3 2HB GLN 3 -2.918 -2.068 -6.913 18 HB3 GLN 3 3HB GLN 3 -4.116 -2.121 -5.627 19 HG2 GLN 3 2HG GLN 3 -3.663 0.212 -5.094 20 HG3 GLN 3 3HG GLN 3 -2.442 0.270 -6.365 21 HE21 GLN 3 1HE2 GLN 3 -5.872 -0.307 -5.776 22 HE22 GLN 3 2HE2 GLN 3 -6.417 0.266 -7.312 23 H GLN 4 H GLN 4 -2.149 -3.635 -2.943 24 HA GLN 4 HA GLN 4 -0.836 -5.886 -3.843 25 HB2 GLN 4 2HB GLN 4 -2.267 -7.114 -2.112 26 HB3 GLN 4 3HB GLN 4 -1.276 -5.779 -1.539 27 HG2 GLN 4 2HG GLN 4 -3.051 -4.536 -0.958 28 HG3 GLN 4 3HG GLN 4 -4.000 -5.048 -2.352 29 HE21 GLN 4 1HE2 GLN 4 -2.850 -6.069 0.817 30 HE22 GLN 4 2HE2 GLN 4 -4.168 -7.134 1.154 31 H GLN 5 H GLN 5 -1.614 -7.980 -4.501 32 HA GLN 5 HA GLN 5 -3.857 -7.751 -6.361 33 HB2 GLN 5 2HB GLN 5 -1.805 -8.579 -7.323 34 HB3 GLN 5 3HB GLN 5 -1.672 -9.817 -6.082 35 HG2 GLN 5 2HG GLN 5 -3.817 -10.780 -6.951 36 HG3 GLN 5 3HG GLN 5 -3.694 -9.650 -8.298 37 HE21 GLN 5 1HE2 GLN 5 -2.104 -12.330 -6.676 38 HE22 GLN 5 2HE2 GLN 5 -1.222 -12.885 -8.054 39 HA PRO 6 HA PRO 6 -6.540 -10.053 -3.723 40 HB2 PRO 6 2HB PRO 6 -8.379 -10.775 -5.586 41 HB3 PRO 6 3HB PRO 6 -8.260 -9.135 -4.939 42 HG2 PRO 6 2HG PRO 6 -7.203 -10.237 -7.514 43 HG3 PRO 6 3HG PRO 6 -8.022 -8.693 -7.209 44 HD2 PRO 6 2HD PRO 6 -5.334 -8.891 -7.464 45 HD3 PRO 6 3HD PRO 6 -6.107 -7.692 -6.408 46 H PHE 7 H PHE 7 -6.174 -12.032 -2.964 47 HA PHE 7 HA PHE 7 -4.765 -14.048 -4.177 48 HB2 PHE 7 2HB PHE 7 -6.020 -15.586 -2.538 49 HB3 PHE 7 3HB PHE 7 -5.089 -14.254 -1.859 50 HD1 PHE 7 HD1 PHE 7 -8.528 -15.196 -2.900 51 HD2 PHE 7 HD2 PHE 7 -6.094 -12.745 -0.414 52 HE1 PHE 7 HE1 PHE 7 -10.537 -14.400 -1.723 53 HE2 PHE 7 HE2 PHE 7 -8.098 -11.946 0.768 54 HZ PHE 7 HZ PHE 7 -10.324 -12.774 0.114 55 HA PRO 8 HA PRO 8 -7.329 -16.035 -7.130 56 HB2 PRO 8 2HB PRO 8 -6.611 -18.636 -6.827 57 HB3 PRO 8 3HB PRO 8 -5.556 -17.429 -7.571 58 HG2 PRO 8 2HG PRO 8 -5.534 -18.500 -4.776 59 HG3 PRO 8 3HG PRO 8 -4.169 -18.183 -5.863 60 HD2 PRO 8 2HD PRO 8 -4.876 -16.482 -3.877 61 HD3 PRO 8 3HD PRO 8 -4.168 -15.923 -5.407 62 HA PRO 9 HA PRO 9 -11.007 -17.696 -5.385 63 HB2 PRO 9 2HB PRO 9 -11.779 -19.525 -7.237 64 HB3 PRO 9 3HB PRO 9 -11.875 -17.781 -7.511 65 HG2 PRO 9 2HG PRO 9 -9.794 -19.730 -8.423 66 HG3 PRO 9 3HG PRO 9 -10.555 -18.404 -9.321 67 HD2 PRO 9 2HD PRO 9 -8.090 -18.192 -8.221 68 HD3 PRO 9 3HD PRO 9 -9.193 -16.808 -8.367 69 H GLN 10 H GLN 10 -12.107 -19.714 -4.667 70 HA GLN 10 HA GLN 10 -12.120 -21.640 -3.459 71 HB2 GLN 10 2HB GLN 10 -10.683 -22.198 -5.844 72 HB3 GLN 10 3HB GLN 10 -9.855 -23.019 -4.527 73 HG2 GLN 10 2HG GLN 10 -12.050 -24.005 -3.867 74 HG3 GLN 10 3HG GLN 10 -12.735 -23.314 -5.337 75 HE21 GLN 10 1HE2 GLN 10 -11.671 -23.946 -7.377 76 HE22 GLN 10 2HE2 GLN 10 -11.079 -25.563 -7.519 77 H GLN 11 H GLN 11 -11.553 -20.980 -1.442 78 HA GLN 11 HA GLN 11 -9.096 -20.077 -0.562 79 HB2 GLN 11 2HB GLN 11 -9.864 -20.442 1.647 80 HB3 GLN 11 3HB GLN 11 -11.298 -20.082 0.695 81 HG2 GLN 11 2HG GLN 11 -11.502 -22.651 0.479 82 HG3 GLN 11 3HG GLN 11 -10.412 -22.682 1.864 83 HE21 GLN 11 1HE2 GLN 11 -11.274 -22.532 3.815 84 HE22 GLN 11 2HE2 GLN 11 -12.888 -22.029 4.169 85 HA PRO 12 HA PRO 12 -6.371 -23.516 -0.451 86 HB2 PRO 12 2HB PRO 12 -4.851 -22.903 1.713 87 HB3 PRO 12 3HB PRO 12 -4.728 -22.038 0.177 88 HG2 PRO 12 2HG PRO 12 -6.192 -21.268 2.672 89 HG3 PRO 12 3HG PRO 12 -5.194 -20.263 1.605 90 HD2 PRO 12 2HD PRO 12 -7.900 -20.255 1.503 91 HD3 PRO 12 3HD PRO 12 -6.890 -19.990 0.068 92 H TYR 13 H TYR 13 -7.902 -25.164 0.044 93 HA TYR 13 HA TYR 13 -9.040 -25.788 2.456 94 HB2 TYR 13 2HB TYR 13 -9.572 -27.020 0.434 95 HB3 TYR 13 3HB TYR 13 -7.946 -27.690 0.374 96 HD1 TYR 13 HD1 TYR 13 -11.005 -27.608 2.496 97 HD2 TYR 13 HD2 TYR 13 -7.488 -29.735 1.398 98 HE1 TYR 13 HE1 TYR 13 -11.756 -29.529 3.836 99 HE2 TYR 13 HE2 TYR 13 -8.230 -31.663 2.733 100 HH TYR 13 HH TYR 13 -10.762 -32.485 3.529 Start of MODEL 25 1 H1 LEU 1 H LEU 1 1.535 1.385 -1.314 2 HA LEU 1 HA LEU 1 0.791 2.735 -3.780 3 HB2 LEU 1 2HB LEU 1 3.548 2.667 -2.648 4 HB3 LEU 1 3HB LEU 1 3.338 2.558 -4.395 5 HG LEU 1 HG LEU 1 1.974 4.724 -4.165 6 HD11 LEU 1 1HD1 LEU 1 3.002 4.360 -1.429 7 HD12 LEU 1 2HD1 LEU 1 1.580 5.228 -2.006 8 HD13 LEU 1 3HD1 LEU 1 3.172 5.979 -2.109 9 HD21 LEU 1 1HD2 LEU 1 4.532 4.246 -4.832 10 HD22 LEU 1 2HD2 LEU 1 4.777 5.315 -3.451 11 HD23 LEU 1 3HD2 LEU 1 3.813 5.856 -4.826 12 H GLY 2 H GLY 2 0.147 1.183 -5.111 13 HA2 GLY 2 2HA GLY 2 0.722 -0.682 -6.520 14 HA3 GLY 2 3HA GLY 2 1.703 -1.316 -5.208 15 H GLN 3 H GLN 3 -1.655 -0.596 -6.103 16 HA GLN 3 HA GLN 3 -3.078 -1.774 -4.131 17 HB2 GLN 3 2HB GLN 3 -3.628 -2.189 -7.074 18 HB3 GLN 3 3HB GLN 3 -4.800 -2.307 -5.768 19 HG2 GLN 3 2HG GLN 3 -4.522 0.064 -5.288 20 HG3 GLN 3 3HG GLN 3 -3.327 0.189 -6.578 21 HE21 GLN 3 1HE2 GLN 3 -6.492 -1.395 -6.350 22 HE22 GLN 3 2HE2 GLN 3 -7.179 -0.604 -7.723 23 H GLN 4 H GLN 4 -2.611 -3.596 -3.082 24 HA GLN 4 HA GLN 4 -1.175 -5.765 -3.998 25 HB2 GLN 4 2HB GLN 4 -2.416 -7.050 -2.165 26 HB3 GLN 4 3HB GLN 4 -1.504 -5.629 -1.676 27 HG2 GLN 4 2HG GLN 4 -3.319 -4.597 -0.918 28 HG3 GLN 4 3HG GLN 4 -4.252 -4.999 -2.359 29 HE21 GLN 4 1HE2 GLN 4 -5.163 -7.168 -2.466 30 HE22 GLN 4 2HE2 GLN 4 -5.662 -7.939 -1.003 31 H GLN 5 H GLN 5 -1.690 -7.778 -4.848 32 HA GLN 5 HA GLN 5 -3.992 -7.810 -6.576 33 HB2 GLN 5 2HB GLN 5 -1.909 -8.685 -7.425 34 HB3 GLN 5 3HB GLN 5 -1.796 -9.827 -6.092 35 HG2 GLN 5 2HG GLN 5 -3.910 -10.875 -6.937 36 HG3 GLN 5 3HG GLN 5 -3.765 -9.846 -8.361 37 HE21 GLN 5 1HE2 GLN 5 -2.706 -12.682 -6.788 38 HE22 GLN 5 2HE2 GLN 5 -1.586 -13.210 -7.993 39 HA PRO 6 HA PRO 6 -6.717 -9.939 -3.837 40 HB2 PRO 6 2HB PRO 6 -8.504 -10.818 -5.683 41 HB3 PRO 6 3HB PRO 6 -8.415 -9.132 -5.157 42 HG2 PRO 6 2HG PRO 6 -7.287 -10.411 -7.618 43 HG3 PRO 6 3HG PRO 6 -8.127 -8.858 -7.449 44 HD2 PRO 6 2HD PRO 6 -5.431 -9.045 -7.625 45 HD3 PRO 6 3HD PRO 6 -6.241 -7.779 -6.679 46 H PHE 7 H PHE 7 -6.653 -11.913 -2.961 47 HA PHE 7 HA PHE 7 -5.065 -13.977 -3.819 48 HB2 PHE 7 2HB PHE 7 -6.596 -15.444 -2.361 49 HB3 PHE 7 3HB PHE 7 -5.791 -14.083 -1.587 50 HD1 PHE 7 HD1 PHE 7 -9.003 -15.200 -3.046 51 HD2 PHE 7 HD2 PHE 7 -7.023 -12.390 -0.536 52 HE1 PHE 7 HE1 PHE 7 -11.182 -14.358 -2.275 53 HE2 PHE 7 HE2 PHE 7 -9.199 -11.544 0.240 54 HZ PHE 7 HZ PHE 7 -11.283 -12.528 -0.629 55 HA PRO 8 HA PRO 8 -7.082 -16.097 -7.088 56 HB2 PRO 8 2HB PRO 8 -6.442 -18.681 -6.551 57 HB3 PRO 8 3HB PRO 8 -5.266 -17.504 -7.149 58 HG2 PRO 8 2HG PRO 8 -5.741 -18.452 -4.350 59 HG3 PRO 8 3HG PRO 8 -4.205 -18.180 -5.194 60 HD2 PRO 8 2HD PRO 8 -5.240 -16.396 -3.439 61 HD3 PRO 8 3HD PRO 8 -4.272 -15.903 -4.843 62 HA PRO 9 HA PRO 9 -11.018 -17.688 -5.945 63 HB2 PRO 9 2HB PRO 9 -11.463 -19.598 -7.822 64 HB3 PRO 9 3HB PRO 9 -11.500 -17.868 -8.185 65 HG2 PRO 9 2HG PRO 9 -9.302 -19.851 -8.632 66 HG3 PRO 9 3HG PRO 9 -9.886 -18.567 -9.706 67 HD2 PRO 9 2HD PRO 9 -7.651 -18.301 -8.200 68 HD3 PRO 9 3HD PRO 9 -8.704 -16.928 -8.598 69 H GLN 10 H GLN 10 -12.017 -19.278 -4.752 70 HA GLN 10 HA GLN 10 -12.214 -21.084 -3.384 71 HB2 GLN 10 2HB GLN 10 -11.916 -22.208 -5.677 72 HB3 GLN 10 3HB GLN 10 -10.266 -22.534 -5.161 73 HG2 GLN 10 2HG GLN 10 -10.944 -24.326 -4.067 74 HG3 GLN 10 3HG GLN 10 -12.021 -23.339 -3.081 75 HE21 GLN 10 1HE2 GLN 10 -11.852 -25.835 -5.258 76 HE22 GLN 10 2HE2 GLN 10 -13.508 -25.886 -5.748 77 H GLN 11 H GLN 11 -11.277 -20.420 -1.515 78 HA GLN 11 HA GLN 11 -8.607 -19.917 -1.021 79 HB2 GLN 11 2HB GLN 11 -9.122 -19.997 1.288 80 HB3 GLN 11 3HB GLN 11 -10.590 -19.449 0.490 81 HG2 GLN 11 2HG GLN 11 -11.057 -22.086 0.517 82 HG3 GLN 11 3HG GLN 11 -10.043 -21.948 1.952 83 HE21 GLN 11 1HE2 GLN 11 -12.674 -22.742 2.106 84 HE22 GLN 11 2HE2 GLN 11 -13.595 -21.520 2.908 85 HA PRO 12 HA PRO 12 -6.512 -23.772 -0.946 86 HB2 PRO 12 2HB PRO 12 -4.633 -23.304 0.956 87 HB3 PRO 12 3HB PRO 12 -4.574 -22.573 -0.652 88 HG2 PRO 12 2HG PRO 12 -5.538 -21.398 1.927 89 HG3 PRO 12 3HG PRO 12 -4.538 -20.657 0.664 90 HD2 PRO 12 2HD PRO 12 -7.192 -20.173 0.892 91 HD3 PRO 12 3HD PRO 12 -6.354 -20.185 -0.673 92 H TYR 13 H TYR 13 -7.144 -25.652 -0.112 93 HA TYR 13 HA TYR 13 -8.760 -26.029 2.067 94 HB2 TYR 13 2HB TYR 13 -8.252 -27.733 0.316 95 HB3 TYR 13 3HB TYR 13 -6.696 -28.013 1.089 96 HD1 TYR 13 HD1 TYR 13 -10.337 -27.960 1.938 97 HD2 TYR 13 HD2 TYR 13 -6.532 -29.741 2.613 98 HE1 TYR 13 HE1 TYR 13 -11.382 -29.617 3.425 99 HE2 TYR 13 HE2 TYR 13 -7.567 -31.403 4.101 100 HH TYR 13 HH TYR 13 -10.410 -32.294 4.169 Start of MODEL 26 1 H1 LEU 1 H LEU 1 0.001 1.585 -0.716 2 HA LEU 1 HA LEU 1 0.086 2.677 -2.888 3 HB2 LEU 1 2HB LEU 1 2.052 4.015 -2.270 4 HB3 LEU 1 3HB LEU 1 3.061 2.576 -2.403 5 HG LEU 1 HG LEU 1 1.841 2.740 -4.877 6 HD11 LEU 1 1HD1 LEU 1 2.262 5.459 -3.731 7 HD12 LEU 1 2HD1 LEU 1 0.984 4.869 -4.793 8 HD13 LEU 1 3HD1 LEU 1 2.596 5.176 -5.440 9 HD21 LEU 1 1HD2 LEU 1 4.529 3.785 -3.993 10 HD22 LEU 1 2HD2 LEU 1 4.070 3.405 -5.654 11 HD23 LEU 1 3HD2 LEU 1 4.152 2.122 -4.446 12 H GLY 2 H GLY 2 -0.438 1.198 -4.350 13 HA2 GLY 2 2HA GLY 2 0.220 -0.532 -5.889 14 HA3 GLY 2 3HA GLY 2 1.293 -1.166 -4.650 15 H GLN 3 H GLN 3 -2.127 -0.693 -5.449 16 HA GLN 3 HA GLN 3 -3.415 -2.055 -3.503 17 HB2 GLN 3 2HB GLN 3 -3.970 -2.416 -6.452 18 HB3 GLN 3 3HB GLN 3 -5.108 -2.679 -5.137 19 HG2 GLN 3 2HG GLN 3 -5.028 -0.311 -4.578 20 HG3 GLN 3 3HG GLN 3 -3.867 -0.039 -5.877 21 HE21 GLN 3 1HE2 GLN 3 -6.926 -1.821 -5.599 22 HE22 GLN 3 2HE2 GLN 3 -7.680 -1.075 -6.962 23 H GLN 4 H GLN 4 -2.952 -3.914 -2.541 24 HA GLN 4 HA GLN 4 -1.267 -5.896 -3.454 25 HB2 GLN 4 2HB GLN 4 -2.520 -7.386 -1.792 26 HB3 GLN 4 3HB GLN 4 -1.775 -5.923 -1.161 27 HG2 GLN 4 2HG GLN 4 -3.779 -4.905 -0.762 28 HG3 GLN 4 3HG GLN 4 -4.615 -5.806 -2.025 29 HE21 GLN 4 1HE2 GLN 4 -5.453 -7.819 -1.573 30 HE22 GLN 4 2HE2 GLN 4 -5.595 -8.434 0.035 31 H GLN 5 H GLN 5 -1.491 -7.798 -4.565 32 HA GLN 5 HA GLN 5 -3.511 -7.946 -6.527 33 HB2 GLN 5 2HB GLN 5 -1.332 -8.890 -6.951 34 HB3 GLN 5 3HB GLN 5 -1.500 -9.996 -5.594 35 HG2 GLN 5 2HG GLN 5 -3.447 -11.020 -6.796 36 HG3 GLN 5 3HG GLN 5 -3.010 -10.035 -8.191 37 HE21 GLN 5 1HE2 GLN 5 -2.346 -12.851 -6.383 38 HE22 GLN 5 2HE2 GLN 5 -1.034 -13.438 -7.342 39 HA PRO 6 HA PRO 6 -6.757 -9.937 -4.300 40 HB2 PRO 6 2HB PRO 6 -8.190 -10.826 -6.427 41 HB3 PRO 6 3HB PRO 6 -8.156 -9.129 -5.933 42 HG2 PRO 6 2HG PRO 6 -6.623 -10.501 -8.108 43 HG3 PRO 6 3HG PRO 6 -7.437 -8.926 -8.135 44 HD2 PRO 6 2HD PRO 6 -4.762 -9.177 -7.799 45 HD3 PRO 6 3HD PRO 6 -5.700 -7.868 -7.052 46 H PHE 7 H PHE 7 -6.664 -11.839 -3.301 47 HA PHE 7 HA PHE 7 -5.083 -13.981 -3.960 48 HB2 PHE 7 2HB PHE 7 -6.732 -15.336 -2.522 49 HB3 PHE 7 3HB PHE 7 -5.939 -13.954 -1.772 50 HD1 PHE 7 HD1 PHE 7 -7.193 -12.268 -0.782 51 HD2 PHE 7 HD2 PHE 7 -9.080 -14.988 -3.457 52 HE1 PHE 7 HE1 PHE 7 -9.388 -11.334 -0.178 53 HE2 PHE 7 HE2 PHE 7 -11.278 -14.058 -2.858 54 HZ PHE 7 HZ PHE 7 -11.434 -12.228 -1.217 55 HA PRO 8 HA PRO 8 -6.962 -16.220 -7.230 56 HB2 PRO 8 2HB PRO 8 -6.422 -18.786 -6.528 57 HB3 PRO 8 3HB PRO 8 -5.183 -17.670 -7.115 58 HG2 PRO 8 2HG PRO 8 -5.842 -18.461 -4.304 59 HG3 PRO 8 3HG PRO 8 -4.254 -18.267 -5.069 60 HD2 PRO 8 2HD PRO 8 -5.341 -16.372 -3.469 61 HD3 PRO 8 3HD PRO 8 -4.282 -15.974 -4.837 62 HA PRO 9 HA PRO 9 -10.998 -17.660 -6.242 63 HB2 PRO 9 2HB PRO 9 -11.383 -19.654 -8.044 64 HB3 PRO 9 3HB PRO 9 -11.355 -17.945 -8.494 65 HG2 PRO 9 2HG PRO 9 -9.186 -19.997 -8.712 66 HG3 PRO 9 3HG PRO 9 -9.674 -18.757 -9.882 67 HD2 PRO 9 2HD PRO 9 -7.524 -18.465 -8.262 68 HD3 PRO 9 3HD PRO 9 -8.516 -17.091 -8.789 69 H GLN 10 H GLN 10 -11.706 -18.837 -4.585 70 HA GLN 10 HA GLN 10 -11.971 -20.513 -3.071 71 HB2 GLN 10 2HB GLN 10 -11.825 -21.769 -5.580 72 HB3 GLN 10 3HB GLN 10 -10.790 -22.714 -4.518 73 HG2 GLN 10 2HG GLN 10 -12.520 -23.576 -3.416 74 HG3 GLN 10 3HG GLN 10 -13.335 -22.017 -3.296 75 HE21 GLN 10 1HE2 GLN 10 -12.556 -24.524 -5.679 76 HE22 GLN 10 2HE2 GLN 10 -14.062 -24.435 -6.520 77 H GLN 11 H GLN 11 -10.540 -19.935 -1.502 78 HA GLN 11 HA GLN 11 -7.778 -20.009 -1.597 79 HB2 GLN 11 2HB GLN 11 -7.793 -19.809 0.762 80 HB3 GLN 11 3HB GLN 11 -9.250 -18.998 0.204 81 HG2 GLN 11 2HG GLN 11 -10.486 -21.137 0.696 82 HG3 GLN 11 3HG GLN 11 -9.020 -21.697 1.500 83 HE21 GLN 11 1HE2 GLN 11 -11.075 -21.683 3.072 84 HE22 GLN 11 2HE2 GLN 11 -11.095 -20.328 4.144 85 HA PRO 12 HA PRO 12 -6.563 -24.225 -1.485 86 HB2 PRO 12 2HB PRO 12 -4.267 -24.064 -0.047 87 HB3 PRO 12 3HB PRO 12 -4.402 -23.480 -1.710 88 HG2 PRO 12 2HG PRO 12 -4.527 -21.940 0.854 89 HG3 PRO 12 3HG PRO 12 -3.687 -21.535 -0.654 90 HD2 PRO 12 2HD PRO 12 -6.072 -20.446 0.023 91 HD3 PRO 12 3HD PRO 12 -5.609 -20.757 -1.662 92 H TYR 13 H TYR 13 -7.501 -25.786 -0.339 93 HA TYR 13 HA TYR 13 -8.573 -25.613 2.175 94 HB2 TYR 13 2HB TYR 13 -8.931 -27.461 0.505 95 HB3 TYR 13 3HB TYR 13 -7.396 -28.148 1.024 96 HD1 TYR 13 HD1 TYR 13 -10.676 -27.030 2.415 97 HD2 TYR 13 HD2 TYR 13 -7.387 -29.710 2.736 98 HE1 TYR 13 HE1 TYR 13 -11.832 -28.222 4.230 99 HE2 TYR 13 HE2 TYR 13 -8.534 -30.910 4.551 100 HH TYR 13 HH TYR 13 -10.829 -29.797 6.327 Start of MODEL 27 1 H1 LEU 1 H LEU 1 3.707 0.392 0.380 2 HA LEU 1 HA LEU 1 1.413 0.643 -1.154 3 HB2 LEU 1 2HB LEU 1 4.267 0.783 -2.114 4 HB3 LEU 1 3HB LEU 1 2.863 1.458 -2.937 5 HG LEU 1 HG LEU 1 3.891 2.361 -0.248 6 HD11 LEU 1 1HD1 LEU 1 5.190 2.790 -2.539 7 HD12 LEU 1 2HD1 LEU 1 5.101 3.990 -1.250 8 HD13 LEU 1 3HD1 LEU 1 4.014 4.102 -2.635 9 HD21 LEU 1 1HD2 LEU 1 2.224 4.220 -1.666 10 HD22 LEU 1 2HD2 LEU 1 2.021 3.541 -0.051 11 HD23 LEU 1 3HD2 LEU 1 1.383 2.684 -1.455 12 H GLY 2 H GLY 2 0.763 -0.260 -3.155 13 HA2 GLY 2 2HA GLY 2 1.569 -1.978 -4.888 14 HA3 GLY 2 3HA GLY 2 1.672 -3.042 -3.493 15 H GLN 3 H GLN 3 -0.404 -1.551 -5.808 16 HA GLN 3 HA GLN 3 -2.914 -1.724 -4.824 17 HB2 GLN 3 2HB GLN 3 -2.099 -2.783 -7.535 18 HB3 GLN 3 3HB GLN 3 -3.702 -2.227 -7.073 19 HG2 GLN 3 2HG GLN 3 -2.839 0.028 -6.754 20 HG3 GLN 3 3HG GLN 3 -1.223 -0.524 -7.191 21 HE21 GLN 3 1HE2 GLN 3 -2.236 1.521 -8.575 22 HE22 GLN 3 2HE2 GLN 3 -2.691 1.032 -10.168 23 H GLN 4 H GLN 4 -3.715 -3.239 -3.519 24 HA GLN 4 HA GLN 4 -2.926 -5.871 -3.286 25 HB2 GLN 4 2HB GLN 4 -5.266 -6.230 -2.312 26 HB3 GLN 4 3HB GLN 4 -4.252 -5.014 -1.546 27 HG2 GLN 4 2HG GLN 4 -5.620 -3.332 -2.104 28 HG3 GLN 4 3HG GLN 4 -5.968 -4.004 -3.696 29 HE21 GLN 4 1HE2 GLN 4 -8.158 -3.660 -3.571 30 HE22 GLN 4 2HE2 GLN 4 -9.190 -4.549 -2.509 31 H GLN 5 H GLN 5 -3.281 -7.707 -4.375 32 HA GLN 5 HA GLN 5 -4.976 -7.563 -6.759 33 HB2 GLN 5 2HB GLN 5 -2.702 -8.246 -7.190 34 HB3 GLN 5 3HB GLN 5 -2.799 -9.497 -5.957 35 HG2 GLN 5 2HG GLN 5 -4.600 -10.573 -7.330 36 HG3 GLN 5 3HG GLN 5 -4.222 -9.412 -8.602 37 HE21 GLN 5 1HE2 GLN 5 -1.704 -9.283 -8.933 38 HE22 GLN 5 2HE2 GLN 5 -0.945 -10.818 -9.168 39 HA PRO 6 HA PRO 6 -8.072 -10.073 -4.869 40 HB2 PRO 6 2HB PRO 6 -9.348 -10.872 -7.128 41 HB3 PRO 6 3HB PRO 6 -9.496 -9.239 -6.467 42 HG2 PRO 6 2HG PRO 6 -7.773 -10.227 -8.707 43 HG3 PRO 6 3HG PRO 6 -8.737 -8.742 -8.608 44 HD2 PRO 6 2HD PRO 6 -6.062 -8.770 -8.195 45 HD3 PRO 6 3HD PRO 6 -7.145 -7.640 -7.358 46 H PHE 7 H PHE 7 -7.053 -11.837 -3.984 47 HA PHE 7 HA PHE 7 -5.597 -13.809 -5.213 48 HB2 PHE 7 2HB PHE 7 -6.492 -15.314 -3.327 49 HB3 PHE 7 3HB PHE 7 -5.628 -13.852 -2.865 50 HD1 PHE 7 HD1 PHE 7 -6.630 -12.262 -1.486 51 HD2 PHE 7 HD2 PHE 7 -9.028 -15.253 -3.336 52 HE1 PHE 7 HE1 PHE 7 -8.555 -11.555 -0.127 53 HE2 PHE 7 HE2 PHE 7 -10.957 -14.550 -1.980 54 HZ PHE 7 HZ PHE 7 -10.723 -12.698 -0.373 55 HA PRO 8 HA PRO 8 -8.271 -16.261 -7.680 56 HB2 PRO 8 2HB PRO 8 -7.263 -18.751 -7.283 57 HB3 PRO 8 3HB PRO 8 -6.429 -17.517 -8.235 58 HG2 PRO 8 2HG PRO 8 -5.975 -18.347 -5.395 59 HG3 PRO 8 3HG PRO 8 -4.785 -17.997 -6.662 60 HD2 PRO 8 2HD PRO 8 -5.425 -16.210 -4.730 61 HD3 PRO 8 3HD PRO 8 -4.960 -15.717 -6.371 62 HA PRO 9 HA PRO 9 -11.536 -18.102 -5.382 63 HB2 PRO 9 2HB PRO 9 -12.328 -20.141 -6.990 64 HB3 PRO 9 3HB PRO 9 -12.631 -18.443 -7.373 65 HG2 PRO 9 2HG PRO 9 -10.483 -20.261 -8.394 66 HG3 PRO 9 3HG PRO 9 -11.472 -19.089 -9.283 67 HD2 PRO 9 2HD PRO 9 -8.931 -18.562 -8.512 68 HD3 PRO 9 3HD PRO 9 -10.177 -17.302 -8.620 69 H GLN 10 H GLN 10 -12.299 -20.079 -4.310 70 HA GLN 10 HA GLN 10 -11.973 -21.885 -2.967 71 HB2 GLN 10 2HB GLN 10 -11.470 -22.850 -5.316 72 HB3 GLN 10 3HB GLN 10 -9.786 -22.803 -4.811 73 HG2 GLN 10 2HG GLN 10 -10.042 -24.485 -3.304 74 HG3 GLN 10 3HG GLN 10 -11.734 -24.100 -2.993 75 HE21 GLN 10 1HE2 GLN 10 -13.148 -24.413 -5.019 76 HE22 GLN 10 2HE2 GLN 10 -12.908 -25.899 -5.866 77 H GLN 11 H GLN 11 -11.155 -20.968 -1.138 78 HA GLN 11 HA GLN 11 -8.645 -19.861 -0.764 79 HB2 GLN 11 2HB GLN 11 -9.052 -19.985 1.564 80 HB3 GLN 11 3HB GLN 11 -10.630 -19.794 0.812 81 HG2 GLN 11 2HG GLN 11 -10.602 -22.431 0.911 82 HG3 GLN 11 3HG GLN 11 -9.469 -22.126 2.227 83 HE21 GLN 11 1HE2 GLN 11 -10.482 -22.314 4.085 84 HE22 GLN 11 2HE2 GLN 11 -12.047 -21.686 4.462 85 HA PRO 12 HA PRO 12 -5.755 -23.164 -0.691 86 HB2 PRO 12 2HB PRO 12 -3.963 -22.242 1.128 87 HB3 PRO 12 3HB PRO 12 -4.118 -21.563 -0.497 88 HG2 PRO 12 2HG PRO 12 -5.230 -20.553 2.093 89 HG3 PRO 12 3HG PRO 12 -4.458 -19.648 0.777 90 HD2 PRO 12 2HD PRO 12 -7.145 -19.748 1.097 91 HD3 PRO 12 3HD PRO 12 -6.378 -19.622 -0.499 92 H TYR 13 H TYR 13 -6.652 -24.989 0.156 93 HA TYR 13 HA TYR 13 -7.692 -25.431 2.652 94 HB2 TYR 13 2HB TYR 13 -7.792 -27.042 0.772 95 HB3 TYR 13 3HB TYR 13 -6.095 -27.428 1.034 96 HD1 TYR 13 HD1 TYR 13 -8.954 -26.997 3.403 97 HD2 TYR 13 HD2 TYR 13 -5.949 -29.583 1.857 98 HE1 TYR 13 HE1 TYR 13 -9.604 -28.718 5.035 99 HE2 TYR 13 HE2 TYR 13 -6.592 -31.312 3.485 100 HH TYR 13 HH TYR 13 -9.296 -30.810 5.727 Start of MODEL 28 1 H1 LEU 1 H LEU 1 2.727 3.288 -1.085 2 HA LEU 1 HA LEU 1 0.818 2.607 -2.121 3 HB2 LEU 1 2HB LEU 1 0.633 3.289 -4.545 4 HB3 LEU 1 3HB LEU 1 0.980 4.574 -3.390 5 HG LEU 1 HG LEU 1 3.481 3.731 -4.280 6 HD11 LEU 1 1HD1 LEU 1 3.441 3.546 -6.589 7 HD12 LEU 1 2HD1 LEU 1 1.813 4.209 -6.717 8 HD13 LEU 1 3HD1 LEU 1 2.052 2.576 -6.097 9 HD21 LEU 1 1HD2 LEU 1 2.429 6.042 -3.778 10 HD22 LEU 1 2HD2 LEU 1 2.018 6.043 -5.494 11 HD23 LEU 1 3HD2 LEU 1 3.705 5.925 -4.991 12 H GLY 2 H GLY 2 -0.122 0.919 -3.318 13 HA2 GLY 2 2HA GLY 2 0.970 -0.657 -5.268 14 HA3 GLY 2 3HA GLY 2 1.634 -1.306 -3.776 15 H GLN 3 H GLN 3 -1.344 -0.663 -5.540 16 HA GLN 3 HA GLN 3 -3.296 -1.580 -3.912 17 HB2 GLN 3 2HB GLN 3 -3.013 -2.387 -6.810 18 HB3 GLN 3 3HB GLN 3 -4.506 -2.342 -5.883 19 HG2 GLN 3 2HG GLN 3 -4.305 0.074 -5.656 20 HG3 GLN 3 3HG GLN 3 -2.794 0.038 -6.564 21 HE21 GLN 3 1HE2 GLN 3 -5.871 -1.634 -7.081 22 HE22 GLN 3 2HE2 GLN 3 -6.151 -0.998 -8.663 23 H GLN 4 H GLN 4 -3.392 -3.288 -2.623 24 HA GLN 4 HA GLN 4 -1.758 -5.509 -2.674 25 HB2 GLN 4 2HB GLN 4 -3.629 -6.613 -1.320 26 HB3 GLN 4 3HB GLN 4 -2.944 -5.123 -0.684 27 HG2 GLN 4 2HG GLN 4 -4.828 -3.884 -1.192 28 HG3 GLN 4 3HG GLN 4 -5.389 -5.043 -2.396 29 HE21 GLN 4 1HE2 GLN 4 -7.275 -5.775 -1.716 30 HE22 GLN 4 2HE2 GLN 4 -7.618 -6.369 -0.130 31 H GLN 5 H GLN 5 -2.094 -7.699 -3.278 32 HA GLN 5 HA GLN 5 -3.517 -7.958 -5.788 33 HB2 GLN 5 2HB GLN 5 -1.290 -8.882 -5.679 34 HB3 GLN 5 3HB GLN 5 -1.715 -9.851 -4.274 35 HG2 GLN 5 2HG GLN 5 -3.381 -11.041 -5.721 36 HG3 GLN 5 3HG GLN 5 -2.684 -10.189 -7.098 37 HE21 GLN 5 1HE2 GLN 5 -2.359 -12.782 -4.899 38 HE22 GLN 5 2HE2 GLN 5 -0.885 -13.430 -5.524 39 HA PRO 6 HA PRO 6 -7.124 -9.801 -4.042 40 HB2 PRO 6 2HB PRO 6 -8.106 -10.937 -6.305 41 HB3 PRO 6 3HB PRO 6 -8.180 -9.199 -5.992 42 HG2 PRO 6 2HG PRO 6 -6.241 -10.739 -7.673 43 HG3 PRO 6 3HG PRO 6 -7.044 -9.197 -8.021 44 HD2 PRO 6 2HD PRO 6 -4.486 -9.343 -7.145 45 HD3 PRO 6 3HD PRO 6 -5.560 -7.990 -6.734 46 H PHE 7 H PHE 7 -7.441 -11.651 -2.974 47 HA PHE 7 HA PHE 7 -5.699 -13.768 -2.918 48 HB2 PHE 7 2HB PHE 7 -7.700 -15.082 -1.973 49 HB3 PHE 7 3HB PHE 7 -7.210 -13.619 -1.126 50 HD1 PHE 7 HD1 PHE 7 -8.823 -12.085 -0.553 51 HD2 PHE 7 HD2 PHE 7 -9.550 -14.732 -3.806 52 HE1 PHE 7 HE1 PHE 7 -11.110 -11.201 -0.756 53 HE2 PHE 7 HE2 PHE 7 -11.838 -13.851 -4.015 54 HZ PHE 7 HZ PHE 7 -12.620 -12.083 -2.490 55 HA PRO 8 HA PRO 8 -6.396 -16.315 -6.421 56 HB2 PRO 8 2HB PRO 8 -6.069 -18.799 -5.376 57 HB3 PRO 8 3HB PRO 8 -4.726 -17.677 -5.628 58 HG2 PRO 8 2HG PRO 8 -6.237 -18.289 -3.117 59 HG3 PRO 8 3HG PRO 8 -4.491 -18.086 -3.351 60 HD2 PRO 8 2HD PRO 8 -6.063 -16.127 -2.341 61 HD3 PRO 8 3HD PRO 8 -4.628 -15.786 -3.329 62 HA PRO 9 HA PRO 9 -10.513 -17.843 -6.653 63 HB2 PRO 9 2HB PRO 9 -10.269 -19.977 -8.314 64 HB3 PRO 9 3HB PRO 9 -10.125 -18.305 -8.870 65 HG2 PRO 9 2HG PRO 9 -7.969 -20.277 -8.218 66 HG3 PRO 9 3HG PRO 9 -8.077 -19.146 -9.580 67 HD2 PRO 9 2HD PRO 9 -6.563 -18.650 -7.391 68 HD3 PRO 9 3HD PRO 9 -7.355 -17.359 -8.317 69 H GLN 10 H GLN 10 -10.595 -18.496 -4.395 70 HA GLN 10 HA GLN 10 -11.084 -19.970 -2.735 71 HB2 GLN 10 2HB GLN 10 -12.366 -20.927 -4.904 72 HB3 GLN 10 3HB GLN 10 -11.308 -22.290 -4.563 73 HG2 GLN 10 2HG GLN 10 -12.351 -22.796 -2.607 74 HG3 GLN 10 3HG GLN 10 -12.833 -21.128 -2.303 75 HE21 GLN 10 1HE2 GLN 10 -14.482 -20.261 -3.860 76 HE22 GLN 10 2HE2 GLN 10 -15.768 -21.323 -4.311 77 H GLN 11 H GLN 11 -9.216 -20.151 -1.608 78 HA GLN 11 HA GLN 11 -6.846 -21.334 -2.423 79 HB2 GLN 11 2HB GLN 11 -6.161 -21.274 -0.158 80 HB3 GLN 11 3HB GLN 11 -7.249 -19.908 -0.365 81 HG2 GLN 11 2HG GLN 11 -8.887 -22.015 0.422 82 HG3 GLN 11 3HG GLN 11 -7.440 -22.159 1.419 83 HE21 GLN 11 1HE2 GLN 11 -6.666 -19.887 2.198 84 HE22 GLN 11 2HE2 GLN 11 -7.902 -18.915 2.915 85 HA PRO 12 HA PRO 12 -7.479 -25.677 -2.379 86 HB2 PRO 12 2HB PRO 12 -5.028 -26.548 -1.601 87 HB3 PRO 12 3HB PRO 12 -5.343 -25.871 -3.203 88 HG2 PRO 12 2HG PRO 12 -4.152 -24.557 -0.792 89 HG3 PRO 12 3HG PRO 12 -3.647 -24.450 -2.489 90 HD2 PRO 12 2HD PRO 12 -5.109 -22.518 -1.280 91 HD3 PRO 12 3HD PRO 12 -5.272 -22.900 -3.006 92 H TYR 13 H TYR 13 -8.605 -26.819 -0.947 93 HA TYR 13 HA TYR 13 -8.849 -26.351 1.741 94 HB2 TYR 13 2HB TYR 13 -10.390 -27.784 0.497 95 HB3 TYR 13 3HB TYR 13 -9.136 -29.007 0.321 96 HD1 TYR 13 HD1 TYR 13 -9.863 -30.861 1.515 97 HD2 TYR 13 HD2 TYR 13 -10.161 -27.011 3.301 98 HE1 TYR 13 HE1 TYR 13 -10.579 -31.902 3.626 99 HE2 TYR 13 HE2 TYR 13 -10.876 -28.041 5.417 100 HH TYR 13 HH TYR 13 -10.469 -30.534 6.480 Start of MODEL 29 1 H1 LEU 1 H LEU 1 0.395 0.819 -8.747 2 HA LEU 1 HA LEU 1 1.060 -0.648 -7.086 3 HB2 LEU 1 2HB LEU 1 3.234 0.270 -6.041 4 HB3 LEU 1 3HB LEU 1 3.165 -0.013 -7.779 5 HG LEU 1 HG LEU 1 2.540 2.719 -6.786 6 HD11 LEU 1 1HD1 LEU 1 5.374 1.761 -7.102 7 HD12 LEU 1 2HD1 LEU 1 4.575 1.935 -5.540 8 HD13 LEU 1 3HD1 LEU 1 4.817 3.347 -6.569 9 HD21 LEU 1 1HD2 LEU 1 3.950 3.189 -8.885 10 HD22 LEU 1 2HD2 LEU 1 2.339 2.502 -9.097 11 HD23 LEU 1 3HD2 LEU 1 3.763 1.468 -9.220 12 H GLY 2 H GLY 2 0.235 -1.180 -5.179 13 HA2 GLY 2 2HA GLY 2 0.611 -0.221 -2.729 14 HA3 GLY 2 3HA GLY 2 -0.575 0.927 -3.334 15 H GLN 3 H GLN 3 -2.593 -0.080 -4.261 16 HA GLN 3 HA GLN 3 -4.055 -1.397 -2.409 17 HB2 GLN 3 2HB GLN 3 -4.338 -1.830 -5.386 18 HB3 GLN 3 3HB GLN 3 -5.592 -2.064 -4.176 19 HG2 GLN 3 2HG GLN 3 -5.562 0.318 -3.669 20 HG3 GLN 3 3HG GLN 3 -4.287 0.560 -4.863 21 HE21 GLN 3 1HE2 GLN 3 -6.276 2.099 -5.328 22 HE22 GLN 3 2HE2 GLN 3 -7.322 1.525 -6.577 23 H GLN 4 H GLN 4 -3.942 -3.306 -1.446 24 HA GLN 4 HA GLN 4 -2.086 -5.274 -1.981 25 HB2 GLN 4 2HB GLN 4 -3.676 -6.788 -0.665 26 HB3 GLN 4 3HB GLN 4 -3.099 -5.334 0.137 27 HG2 GLN 4 2HG GLN 4 -5.146 -4.312 0.069 28 HG3 GLN 4 3HG GLN 4 -5.676 -5.227 -1.341 29 HE21 GLN 4 1HE2 GLN 4 -7.101 -4.800 1.114 30 HE22 GLN 4 2HE2 GLN 4 -7.386 -6.355 1.809 31 H GLN 5 H GLN 5 -2.111 -7.246 -3.046 32 HA GLN 5 HA GLN 5 -3.792 -7.351 -5.379 33 HB2 GLN 5 2HB GLN 5 -1.472 -7.973 -5.609 34 HB3 GLN 5 3HB GLN 5 -1.632 -9.198 -4.357 35 HG2 GLN 5 2HG GLN 5 -3.283 -10.360 -5.841 36 HG3 GLN 5 3HG GLN 5 -2.838 -9.218 -7.108 37 HE21 GLN 5 1HE2 GLN 5 -1.526 -11.651 -4.918 38 HE22 GLN 5 2HE2 GLN 5 -0.234 -12.146 -5.952 39 HA PRO 6 HA PRO 6 -6.956 -9.912 -3.680 40 HB2 PRO 6 2HB PRO 6 -8.021 -10.802 -6.013 41 HB3 PRO 6 3HB PRO 6 -8.270 -9.160 -5.408 42 HG2 PRO 6 2HG PRO 6 -6.343 -10.145 -7.476 43 HG3 PRO 6 3HG PRO 6 -7.356 -8.689 -7.493 44 HD2 PRO 6 2HD PRO 6 -4.722 -8.624 -6.866 45 HD3 PRO 6 3HD PRO 6 -5.903 -7.510 -6.148 46 H PHE 7 H PHE 7 -6.618 -11.832 -2.769 47 HA PHE 7 HA PHE 7 -4.731 -13.703 -3.446 48 HB2 PHE 7 2HB PHE 7 -6.263 -15.350 -2.196 49 HB3 PHE 7 3HB PHE 7 -5.704 -13.930 -1.320 50 HD1 PHE 7 HD1 PHE 7 -7.224 -12.486 -0.318 51 HD2 PHE 7 HD2 PHE 7 -8.581 -15.251 -3.256 52 HE1 PHE 7 HE1 PHE 7 -9.554 -11.884 0.196 53 HE2 PHE 7 HE2 PHE 7 -10.912 -14.653 -2.747 54 HZ PHE 7 HZ PHE 7 -11.402 -12.968 -1.020 55 HA PRO 8 HA PRO 8 -6.109 -15.950 -6.952 56 HB2 PRO 8 2HB PRO 8 -5.271 -18.465 -6.364 57 HB3 PRO 8 3HB PRO 8 -4.162 -17.162 -6.806 58 HG2 PRO 8 2HG PRO 8 -4.866 -18.212 -4.092 59 HG3 PRO 8 3HG PRO 8 -3.277 -17.765 -4.741 60 HD2 PRO 8 2HD PRO 8 -4.695 -16.135 -3.110 61 HD3 PRO 8 3HD PRO 8 -3.624 -15.515 -4.382 62 HA PRO 9 HA PRO 9 -9.965 -17.962 -6.308 63 HB2 PRO 9 2HB PRO 9 -9.980 -19.868 -8.241 64 HB3 PRO 9 3HB PRO 9 -10.154 -18.144 -8.591 65 HG2 PRO 9 2HG PRO 9 -7.723 -19.880 -8.785 66 HG3 PRO 9 3HG PRO 9 -8.306 -18.641 -9.911 67 HD2 PRO 9 2HD PRO 9 -6.307 -18.178 -8.144 68 HD3 PRO 9 3HD PRO 9 -7.442 -16.912 -8.654 69 H GLN 10 H GLN 10 -11.009 -19.852 -5.528 70 HA GLN 10 HA GLN 10 -11.196 -21.744 -4.281 71 HB2 GLN 10 2HB GLN 10 -9.921 -22.574 -6.433 72 HB3 GLN 10 3HB GLN 10 -8.584 -22.772 -5.308 73 HG2 GLN 10 2HG GLN 10 -9.609 -24.858 -5.364 74 HG3 GLN 10 3HG GLN 10 -10.206 -24.119 -3.879 75 HE21 GLN 10 1HE2 GLN 10 -11.213 -26.136 -5.999 76 HE22 GLN 10 2HE2 GLN 10 -12.846 -25.636 -6.259 77 H GLN 11 H GLN 11 -10.967 -21.077 -2.215 78 HA GLN 11 HA GLN 11 -8.691 -20.060 -1.001 79 HB2 GLN 11 2HB GLN 11 -9.791 -20.365 1.073 80 HB3 GLN 11 3HB GLN 11 -11.063 -20.071 -0.104 81 HG2 GLN 11 2HG GLN 11 -10.958 -22.754 -0.198 82 HG3 GLN 11 3HG GLN 11 -10.455 -22.481 1.470 83 HE21 GLN 11 1HE2 GLN 11 -12.011 -22.339 2.911 84 HE22 GLN 11 2HE2 GLN 11 -13.661 -21.934 2.594 85 HA PRO 12 HA PRO 12 -5.961 -23.432 -0.339 86 HB2 PRO 12 2HB PRO 12 -4.810 -22.711 2.012 87 HB3 PRO 12 3HB PRO 12 -4.462 -21.896 0.482 88 HG2 PRO 12 2HG PRO 12 -6.312 -21.075 2.688 89 HG3 PRO 12 3HG PRO 12 -5.176 -20.085 1.754 90 HD2 PRO 12 2HD PRO 12 -7.832 -20.140 1.231 91 HD3 PRO 12 3HD PRO 12 -6.613 -19.902 -0.038 92 H TYR 13 H TYR 13 -7.688 -24.999 -0.027 93 HA TYR 13 HA TYR 13 -9.068 -25.562 2.271 94 HB2 TYR 13 2HB TYR 13 -9.207 -26.739 0.017 95 HB3 TYR 13 3HB TYR 13 -7.848 -27.722 0.552 96 HD1 TYR 13 HD1 TYR 13 -10.855 -26.527 2.412 97 HD2 TYR 13 HD2 TYR 13 -8.679 -29.859 0.906 98 HE1 TYR 13 HE1 TYR 13 -12.414 -28.052 3.550 99 HE2 TYR 13 HE2 TYR 13 -10.233 -31.393 2.039 100 HH TYR 13 HH TYR 13 -12.055 -30.730 4.429 Start of MODEL 30 1 H1 LEU 1 H LEU 1 4.391 2.218 -2.771 2 HA LEU 1 HA LEU 1 2.044 1.908 -1.872 3 HB2 LEU 1 2HB LEU 1 0.345 2.262 -3.750 4 HB3 LEU 1 3HB LEU 1 0.933 3.679 -2.883 5 HG LEU 1 HG LEU 1 2.413 3.015 -5.338 6 HD11 LEU 1 1HD1 LEU 1 -0.459 3.108 -5.375 7 HD12 LEU 1 2HD1 LEU 1 0.671 2.817 -6.696 8 HD13 LEU 1 3HD1 LEU 1 0.216 4.467 -6.273 9 HD21 LEU 1 1HD2 LEU 1 2.906 5.014 -4.085 10 HD22 LEU 1 2HD2 LEU 1 1.221 5.528 -4.172 11 HD23 LEU 1 3HD2 LEU 1 2.200 5.461 -5.638 12 H GLY 2 H GLY 2 0.729 0.068 -2.573 13 HA2 GLY 2 2HA GLY 2 1.592 -1.459 -4.861 14 HA3 GLY 2 3HA GLY 2 2.126 -2.135 -3.330 15 H GLN 3 H GLN 3 -0.744 -1.137 -5.143 16 HA GLN 3 HA GLN 3 -2.795 -1.925 -3.570 17 HB2 GLN 3 2HB GLN 3 -2.570 -2.614 -6.504 18 HB3 GLN 3 3HB GLN 3 -4.059 -2.459 -5.581 19 HG2 GLN 3 2HG GLN 3 -3.610 -0.091 -5.234 20 HG3 GLN 3 3HG GLN 3 -2.103 -0.240 -6.136 21 HE21 GLN 3 1HE2 GLN 3 -5.280 0.622 -6.333 22 HE22 GLN 3 2HE2 GLN 3 -5.497 0.517 -8.043 23 H GLN 4 H GLN 4 -3.035 -3.670 -2.348 24 HA GLN 4 HA GLN 4 -1.654 -6.050 -2.535 25 HB2 GLN 4 2HB GLN 4 -3.614 -7.009 -1.196 26 HB3 GLN 4 3HB GLN 4 -2.761 -5.635 -0.505 27 HG2 GLN 4 2HG GLN 4 -4.563 -4.322 -0.583 28 HG3 GLN 4 3HG GLN 4 -5.024 -4.886 -2.188 29 HE21 GLN 4 1HE2 GLN 4 -5.458 -5.247 1.204 30 HE22 GLN 4 2HE2 GLN 4 -6.737 -6.406 1.139 31 H GLN 5 H GLN 5 -1.896 -7.946 -3.598 32 HA GLN 5 HA GLN 5 -3.647 -7.971 -5.886 33 HB2 GLN 5 2HB GLN 5 -1.361 -8.831 -6.061 34 HB3 GLN 5 3HB GLN 5 -1.720 -10.060 -4.856 35 HG2 GLN 5 2HG GLN 5 -1.990 -11.300 -6.731 36 HG3 GLN 5 3HG GLN 5 -3.631 -10.674 -6.572 37 HE21 GLN 5 1HE2 GLN 5 -2.925 -11.541 -8.978 38 HE22 GLN 5 2HE2 GLN 5 -2.653 -10.230 -10.069 39 HA PRO 6 HA PRO 6 -6.993 -10.109 -3.959 40 HB2 PRO 6 2HB PRO 6 -8.251 -10.946 -6.215 41 HB3 PRO 6 3HB PRO 6 -8.295 -9.270 -5.656 42 HG2 PRO 6 2HG PRO 6 -6.578 -10.518 -7.767 43 HG3 PRO 6 3HG PRO 6 -7.429 -8.962 -7.792 44 HD2 PRO 6 2HD PRO 6 -4.778 -9.166 -7.276 45 HD3 PRO 6 3HD PRO 6 -5.799 -7.909 -6.548 46 H PHE 7 H PHE 7 -6.818 -12.025 -2.997 47 HA PHE 7 HA PHE 7 -5.176 -14.109 -3.689 48 HB2 PHE 7 2HB PHE 7 -6.815 -15.543 -2.317 49 HB3 PHE 7 3HB PHE 7 -6.067 -14.165 -1.516 50 HD1 PHE 7 HD1 PHE 7 -7.382 -12.579 -0.458 51 HD2 PHE 7 HD2 PHE 7 -9.151 -15.183 -3.322 52 HE1 PHE 7 HE1 PHE 7 -9.608 -11.714 0.136 53 HE2 PHE 7 HE2 PHE 7 -11.379 -14.322 -2.734 54 HZ PHE 7 HZ PHE 7 -11.610 -12.585 -1.004 55 HA PRO 8 HA PRO 8 -6.950 -16.298 -7.052 56 HB2 PRO 8 2HB PRO 8 -6.360 -18.870 -6.414 57 HB3 PRO 8 3HB PRO 8 -5.139 -17.709 -6.948 58 HG2 PRO 8 2HG PRO 8 -5.823 -18.595 -4.172 59 HG3 PRO 8 3HG PRO 8 -4.228 -18.342 -4.905 60 HD2 PRO 8 2HD PRO 8 -5.385 -16.520 -3.271 61 HD3 PRO 8 3HD PRO 8 -4.314 -16.058 -4.610 62 HA PRO 9 HA PRO 9 -10.965 -17.859 -6.171 63 HB2 PRO 9 2HB PRO 9 -11.274 -19.810 -8.034 64 HB3 PRO 9 3HB PRO 9 -11.280 -18.088 -8.435 65 HG2 PRO 9 2HG PRO 9 -9.060 -20.082 -8.675 66 HG3 PRO 9 3HG PRO 9 -9.559 -18.821 -9.817 67 HD2 PRO 9 2HD PRO 9 -7.442 -18.526 -8.156 68 HD3 PRO 9 3HD PRO 9 -8.458 -17.160 -8.660 69 H GLN 10 H GLN 10 -11.461 -18.991 -4.406 70 HA GLN 10 HA GLN 10 -11.671 -20.692 -2.911 71 HB2 GLN 10 2HB GLN 10 -12.299 -21.848 -5.167 72 HB3 GLN 10 3HB GLN 10 -10.746 -22.652 -4.981 73 HG2 GLN 10 2HG GLN 10 -11.451 -23.540 -2.826 74 HG3 GLN 10 3HG GLN 10 -13.001 -22.716 -2.989 75 HE21 GLN 10 1HE2 GLN 10 -13.494 -25.129 -2.585 76 HE22 GLN 10 2HE2 GLN 10 -13.776 -26.071 -4.005 77 H GLN 11 H GLN 11 -10.065 -20.257 -1.475 78 HA GLN 11 HA GLN 11 -7.336 -20.458 -1.839 79 HB2 GLN 11 2HB GLN 11 -7.276 -20.850 0.687 80 HB3 GLN 11 3HB GLN 11 -8.062 -19.383 0.121 81 HG2 GLN 11 2HG GLN 11 -10.202 -20.226 0.561 82 HG3 GLN 11 3HG GLN 11 -9.611 -21.880 0.709 83 HE21 GLN 11 1HE2 GLN 11 -11.211 -20.424 2.589 84 HE22 GLN 11 2HE2 GLN 11 -10.303 -20.323 4.055 85 HA PRO 12 HA PRO 12 -6.284 -24.713 -2.006 86 HB2 PRO 12 2HB PRO 12 -3.915 -24.740 -0.680 87 HB3 PRO 12 3HB PRO 12 -4.104 -24.047 -2.295 88 HG2 PRO 12 2HG PRO 12 -4.035 -22.669 0.361 89 HG3 PRO 12 3HG PRO 12 -3.252 -22.205 -1.161 90 HD2 PRO 12 2HD PRO 12 -5.550 -21.062 -0.296 91 HD3 PRO 12 3HD PRO 12 -5.183 -21.284 -2.019 92 H TYR 13 H TYR 13 -7.947 -25.610 -0.719 93 HA TYR 13 HA TYR 13 -8.210 -25.619 2.008 94 HB2 TYR 13 2HB TYR 13 -9.761 -26.672 0.312 95 HB3 TYR 13 3HB TYR 13 -8.680 -28.061 0.294 96 HD1 TYR 13 HD1 TYR 13 -10.675 -25.969 2.653 97 HD2 TYR 13 HD2 TYR 13 -9.041 -29.801 1.787 98 HE1 TYR 13 HE1 TYR 13 -11.860 -26.907 4.594 99 HE2 TYR 13 HE2 TYR 13 -10.223 -30.749 3.725 100 HH TYR 13 HH TYR 13 -12.717 -29.438 5.181 Start of MODEL 31 1 H1 LEU 1 H LEU 1 3.880 2.957 -1.925 2 HA LEU 1 HA LEU 1 1.567 1.558 -1.566 3 HB2 LEU 1 2HB LEU 1 2.596 3.344 -3.485 4 HB3 LEU 1 3HB LEU 1 1.913 1.987 -4.377 5 HG LEU 1 HG LEU 1 0.255 3.708 -4.184 6 HD11 LEU 1 1HD1 LEU 1 -1.534 2.488 -3.068 7 HD12 LEU 1 2HD1 LEU 1 -0.347 1.461 -2.266 8 HD13 LEU 1 3HD1 LEU 1 -0.523 1.400 -4.020 9 HD21 LEU 1 1HD2 LEU 1 0.428 5.104 -2.453 10 HD22 LEU 1 2HD2 LEU 1 1.317 3.927 -1.486 11 HD23 LEU 1 3HD2 LEU 1 -0.446 3.886 -1.523 12 H GLY 2 H GLY 2 0.617 -0.294 -2.393 13 HA2 GLY 2 2HA GLY 2 1.918 -1.977 -4.301 14 HA3 GLY 2 3HA GLY 2 2.133 -2.575 -2.663 15 H GLN 3 H GLN 3 -0.438 -1.411 -4.837 16 HA GLN 3 HA GLN 3 -2.673 -2.304 -3.609 17 HB2 GLN 3 2HB GLN 3 -2.106 -2.696 -6.552 18 HB3 GLN 3 3HB GLN 3 -3.693 -2.598 -5.801 19 HG2 GLN 3 2HG GLN 3 -3.259 -0.290 -5.158 20 HG3 GLN 3 3HG GLN 3 -1.656 -0.384 -5.886 21 HE21 GLN 3 1HE2 GLN 3 -4.769 0.583 -6.366 22 HE22 GLN 3 2HE2 GLN 3 -4.783 0.654 -8.092 23 H GLN 4 H GLN 4 -2.979 -4.153 -2.556 24 HA GLN 4 HA GLN 4 -1.642 -6.540 -2.901 25 HB2 GLN 4 2HB GLN 4 -3.703 -7.573 -1.789 26 HB3 GLN 4 3HB GLN 4 -2.865 -6.301 -0.911 27 HG2 GLN 4 2HG GLN 4 -4.616 -4.909 -0.999 28 HG3 GLN 4 3HG GLN 4 -5.025 -5.362 -2.652 29 HE21 GLN 4 1HE2 GLN 4 -7.221 -5.436 -2.118 30 HE22 GLN 4 2HE2 GLN 4 -7.892 -6.747 -1.215 31 H GLN 5 H GLN 5 -2.055 -8.461 -3.981 32 HA GLN 5 HA GLN 5 -3.537 -8.163 -6.453 33 HB2 GLN 5 2HB GLN 5 -1.311 -9.186 -6.493 34 HB3 GLN 5 3HB GLN 5 -1.867 -10.460 -5.415 35 HG2 GLN 5 2HG GLN 5 -2.043 -11.543 -7.399 36 HG3 GLN 5 3HG GLN 5 -3.649 -10.820 -7.322 37 HE21 GLN 5 1HE2 GLN 5 -2.009 -11.651 -9.619 38 HE22 GLN 5 2HE2 GLN 5 -1.875 -10.252 -10.624 39 HA PRO 6 HA PRO 6 -7.189 -10.156 -4.980 40 HB2 PRO 6 2HB PRO 6 -8.293 -10.741 -7.390 41 HB3 PRO 6 3HB PRO 6 -8.267 -9.107 -6.717 42 HG2 PRO 6 2HG PRO 6 -6.460 -10.344 -8.758 43 HG3 PRO 6 3HG PRO 6 -7.191 -8.728 -8.743 44 HD2 PRO 6 2HD PRO 6 -4.620 -9.172 -8.018 45 HD3 PRO 6 3HD PRO 6 -5.610 -7.889 -7.291 46 H PHE 7 H PHE 7 -6.353 -12.031 -4.026 47 HA PHE 7 HA PHE 7 -5.190 -14.210 -5.216 48 HB2 PHE 7 2HB PHE 7 -6.325 -15.545 -3.331 49 HB3 PHE 7 3HB PHE 7 -5.260 -14.222 -2.868 50 HD1 PHE 7 HD1 PHE 7 -8.849 -14.953 -3.532 51 HD2 PHE 7 HD2 PHE 7 -6.008 -12.640 -1.367 52 HE1 PHE 7 HE1 PHE 7 -10.671 -13.957 -2.213 53 HE2 PHE 7 HE2 PHE 7 -7.825 -11.640 -0.044 54 HZ PHE 7 HZ PHE 7 -10.160 -12.298 -0.465 55 HA PRO 8 HA PRO 8 -8.164 -16.265 -7.702 56 HB2 PRO 8 2HB PRO 8 -7.543 -18.872 -7.269 57 HB3 PRO 8 3HB PRO 8 -6.521 -17.787 -8.218 58 HG2 PRO 8 2HG PRO 8 -6.236 -18.643 -5.364 59 HG3 PRO 8 3HG PRO 8 -4.989 -18.487 -6.615 60 HD2 PRO 8 2HD PRO 8 -5.384 -16.604 -4.710 61 HD3 PRO 8 3HD PRO 8 -4.827 -16.204 -6.347 62 HA PRO 9 HA PRO 9 -11.698 -17.576 -5.439 63 HB2 PRO 9 2HB PRO 9 -12.761 -19.493 -7.041 64 HB3 PRO 9 3HB PRO 9 -12.803 -17.772 -7.444 65 HG2 PRO 9 2HG PRO 9 -10.935 -19.900 -8.415 66 HG3 PRO 9 3HG PRO 9 -11.727 -18.604 -9.330 67 HD2 PRO 9 2HD PRO 9 -9.146 -18.451 -8.525 68 HD3 PRO 9 3HD PRO 9 -10.190 -17.022 -8.663 69 H GLN 10 H GLN 10 -12.240 -18.966 -3.837 70 HA GLN 10 HA GLN 10 -12.110 -20.705 -2.378 71 HB2 GLN 10 2HB GLN 10 -12.157 -21.872 -4.997 72 HB3 GLN 10 3HB GLN 10 -11.117 -22.834 -3.955 73 HG2 GLN 10 2HG GLN 10 -13.153 -22.584 -2.293 74 HG3 GLN 10 3HG GLN 10 -14.038 -22.347 -3.799 75 HE21 GLN 10 1HE2 GLN 10 -11.643 -24.511 -2.334 76 HE22 GLN 10 2HE2 GLN 10 -12.268 -25.960 -3.036 77 H GLN 11 H GLN 11 -10.468 -20.103 -1.047 78 HA GLN 11 HA GLN 11 -7.763 -19.980 -1.631 79 HB2 GLN 11 2HB GLN 11 -7.373 -19.859 0.701 80 HB3 GLN 11 3HB GLN 11 -8.951 -19.129 0.442 81 HG2 GLN 11 2HG GLN 11 -9.986 -21.298 1.085 82 HG3 GLN 11 3HG GLN 11 -8.376 -21.885 1.498 83 HE21 GLN 11 1HE2 GLN 11 -7.270 -20.927 3.247 84 HE22 GLN 11 2HE2 GLN 11 -8.125 -20.085 4.491 85 HA PRO 12 HA PRO 12 -6.301 -24.108 -1.919 86 HB2 PRO 12 2HB PRO 12 -3.800 -23.843 -0.897 87 HB3 PRO 12 3HB PRO 12 -4.261 -23.215 -2.484 88 HG2 PRO 12 2HG PRO 12 -4.022 -21.773 0.129 89 HG3 PRO 12 3HG PRO 12 -3.487 -21.263 -1.484 90 HD2 PRO 12 2HD PRO 12 -5.775 -20.357 -0.353 91 HD3 PRO 12 3HD PRO 12 -5.599 -20.580 -2.106 92 H TYR 13 H TYR 13 -7.713 -25.109 -0.407 93 HA TYR 13 HA TYR 13 -7.603 -25.087 2.330 94 HB2 TYR 13 2HB TYR 13 -9.278 -26.299 0.890 95 HB3 TYR 13 3HB TYR 13 -8.089 -27.583 0.697 96 HD1 TYR 13 HD1 TYR 13 -9.392 -25.584 3.583 97 HD2 TYR 13 HD2 TYR 13 -8.561 -29.435 1.975 98 HE1 TYR 13 HE1 TYR 13 -10.180 -26.619 5.670 99 HE2 TYR 13 HE2 TYR 13 -9.349 -30.481 4.057 100 HH TYR 13 HH TYR 13 -10.877 -28.610 6.590 Start of MODEL 32 1 H1 LEU 1 H LEU 1 3.249 0.803 -6.177 2 HA LEU 1 HA LEU 1 2.020 -1.559 -5.122 3 HB2 LEU 1 2HB LEU 1 4.382 -0.140 -4.681 4 HB3 LEU 1 3HB LEU 1 3.483 -0.014 -3.170 5 HG LEU 1 HG LEU 1 3.759 -2.710 -4.385 6 HD11 LEU 1 1HD1 LEU 1 6.020 -1.120 -4.086 7 HD12 LEU 1 2HD1 LEU 1 5.968 -2.876 -4.237 8 HD13 LEU 1 3HD1 LEU 1 5.982 -2.129 -2.639 9 HD21 LEU 1 1HD2 LEU 1 2.615 -2.883 -2.426 10 HD22 LEU 1 2HD2 LEU 1 3.402 -1.476 -1.710 11 HD23 LEU 1 3HD2 LEU 1 4.257 -3.017 -1.796 12 H GLY 2 H GLY 2 -0.072 -1.384 -4.544 13 HA2 GLY 2 2HA GLY 2 -0.761 0.030 -2.187 14 HA3 GLY 2 3HA GLY 2 -1.379 0.880 -3.595 15 H GLN 3 H GLN 3 -3.045 -0.024 -4.806 16 HA GLN 3 HA GLN 3 -5.075 -1.304 -3.563 17 HB2 GLN 3 2HB GLN 3 -4.348 -1.733 -6.465 18 HB3 GLN 3 3HB GLN 3 -5.942 -1.936 -5.749 19 HG2 GLN 3 2HG GLN 3 -6.030 0.445 -5.245 20 HG3 GLN 3 3HG GLN 3 -4.423 0.656 -5.938 21 HE21 GLN 3 1HE2 GLN 3 -4.151 0.424 -8.183 22 HE22 GLN 3 2HE2 GLN 3 -5.485 0.577 -9.270 23 H GLN 4 H GLN 4 -5.076 -3.132 -2.441 24 HA GLN 4 HA GLN 4 -3.234 -5.182 -2.562 25 HB2 GLN 4 2HB GLN 4 -5.095 -6.587 -1.505 26 HB3 GLN 4 3HB GLN 4 -4.614 -5.121 -0.662 27 HG2 GLN 4 2HG GLN 4 -6.606 -4.131 -0.963 28 HG3 GLN 4 3HG GLN 4 -6.813 -4.799 -2.582 29 HE21 GLN 4 1HE2 GLN 4 -7.078 -7.288 -2.518 30 HE22 GLN 4 2HE2 GLN 4 -8.232 -7.870 -1.371 31 H GLN 5 H GLN 5 -2.967 -7.004 -3.736 32 HA GLN 5 HA GLN 5 -4.320 -7.208 -6.244 33 HB2 GLN 5 2HB GLN 5 -1.952 -7.791 -6.015 34 HB3 GLN 5 3HB GLN 5 -2.370 -9.097 -4.914 35 HG2 GLN 5 2HG GLN 5 -2.157 -10.294 -6.821 36 HG3 GLN 5 3HG GLN 5 -3.859 -9.856 -6.963 37 HE21 GLN 5 1HE2 GLN 5 -3.462 -10.285 -9.248 38 HE22 GLN 5 2HE2 GLN 5 -2.821 -9.020 -10.235 39 HA PRO 6 HA PRO 6 -7.673 -9.789 -4.988 40 HB2 PRO 6 2HB PRO 6 -8.399 -10.682 -7.447 41 HB3 PRO 6 3HB PRO 6 -8.743 -9.044 -6.880 42 HG2 PRO 6 2HG PRO 6 -6.541 -10.007 -8.664 43 HG3 PRO 6 3HG PRO 6 -7.554 -8.560 -8.819 44 HD2 PRO 6 2HD PRO 6 -5.034 -8.474 -7.834 45 HD3 PRO 6 3HD PRO 6 -6.312 -7.371 -7.284 46 H PHE 7 H PHE 7 -6.787 -11.485 -3.851 47 HA PHE 7 HA PHE 7 -5.042 -13.426 -4.695 48 HB2 PHE 7 2HB PHE 7 -6.253 -14.920 -2.985 49 HB3 PHE 7 3HB PHE 7 -5.554 -13.414 -2.402 50 HD1 PHE 7 HD1 PHE 7 -8.737 -14.944 -3.536 51 HD2 PHE 7 HD2 PHE 7 -6.869 -11.850 -1.287 52 HE1 PHE 7 HE1 PHE 7 -10.927 -14.287 -2.627 53 HE2 PHE 7 HE2 PHE 7 -9.056 -11.189 -0.374 54 HZ PHE 7 HZ PHE 7 -11.089 -12.408 -1.043 55 HA PRO 8 HA PRO 8 -7.065 -16.042 -7.577 56 HB2 PRO 8 2HB PRO 8 -6.076 -18.479 -6.904 57 HB3 PRO 8 3HB PRO 8 -5.106 -17.236 -7.703 58 HG2 PRO 8 2HG PRO 8 -5.218 -17.978 -4.806 59 HG3 PRO 8 3HG PRO 8 -3.806 -17.611 -5.813 60 HD2 PRO 8 2HD PRO 8 -4.891 -15.806 -4.111 61 HD3 PRO 8 3HD PRO 8 -4.115 -15.333 -5.636 62 HA PRO 9 HA PRO 9 -10.668 -17.957 -5.938 63 HB2 PRO 9 2HB PRO 9 -11.041 -20.065 -7.608 64 HB3 PRO 9 3HB PRO 9 -11.317 -18.389 -8.099 65 HG2 PRO 9 2HG PRO 9 -8.944 -20.144 -8.601 66 HG3 PRO 9 3HG PRO 9 -9.770 -19.034 -9.710 67 HD2 PRO 9 2HD PRO 9 -7.461 -18.386 -8.453 68 HD3 PRO 9 3HD PRO 9 -8.701 -17.181 -8.853 69 H GLN 10 H GLN 10 -11.511 -19.785 -4.803 70 HA GLN 10 HA GLN 10 -11.404 -21.536 -3.356 71 HB2 GLN 10 2HB GLN 10 -10.603 -22.632 -5.557 72 HB3 GLN 10 3HB GLN 10 -9.000 -22.564 -4.838 73 HG2 GLN 10 2HG GLN 10 -9.730 -23.928 -2.986 74 HG3 GLN 10 3HG GLN 10 -11.382 -23.927 -3.603 75 HE21 GLN 10 1HE2 GLN 10 -11.895 -25.781 -4.494 76 HE22 GLN 10 2HE2 GLN 10 -10.853 -26.794 -5.427 77 H GLN 11 H GLN 11 -10.831 -20.563 -1.471 78 HA GLN 11 HA GLN 11 -8.412 -19.414 -0.800 79 HB2 GLN 11 2HB GLN 11 -9.110 -19.501 1.461 80 HB3 GLN 11 3HB GLN 11 -10.583 -19.360 0.510 81 HG2 GLN 11 2HG GLN 11 -10.383 -22.041 0.693 82 HG3 GLN 11 3HG GLN 11 -9.628 -21.557 2.211 83 HE21 GLN 11 1HE2 GLN 11 -12.536 -21.984 0.520 84 HE22 GLN 11 2HE2 GLN 11 -13.610 -21.383 1.732 85 HA PRO 12 HA PRO 12 -5.490 -22.648 -0.286 86 HB2 PRO 12 2HB PRO 12 -3.962 -21.651 1.724 87 HB3 PRO 12 3HB PRO 12 -3.923 -21.008 0.078 88 HG2 PRO 12 2HG PRO 12 -5.375 -19.972 2.482 89 HG3 PRO 12 3HG PRO 12 -4.461 -19.076 1.255 90 HD2 PRO 12 2HD PRO 12 -7.164 -19.230 1.234 91 HD3 PRO 12 3HD PRO 12 -6.202 -19.118 -0.254 92 H TYR 13 H TYR 13 -6.607 -24.425 0.473 93 HA TYR 13 HA TYR 13 -7.854 -24.807 2.882 94 HB2 TYR 13 2HB TYR 13 -7.693 -26.395 0.876 95 HB3 TYR 13 3HB TYR 13 -6.199 -26.977 1.603 96 HD1 TYR 13 HD1 TYR 13 -9.502 -26.056 3.090 97 HD2 TYR 13 HD2 TYR 13 -6.581 -29.087 2.466 98 HE1 TYR 13 HE1 TYR 13 -10.798 -27.589 4.511 99 HE2 TYR 13 HE2 TYR 13 -7.870 -30.629 3.884 100 HH TYR 13 HH TYR 13 -11.071 -29.952 4.900 Start of MODEL 33 1 H1 LEU 1 H LEU 1 2.970 0.103 1.485 2 HA LEU 1 HA LEU 1 0.830 0.822 -0.397 3 HB2 LEU 1 2HB LEU 1 2.673 2.309 -0.569 4 HB3 LEU 1 3HB LEU 1 3.828 0.978 -0.586 5 HG LEU 1 HG LEU 1 2.930 0.314 -2.814 6 HD11 LEU 1 1HD1 LEU 1 0.766 1.200 -2.880 7 HD12 LEU 1 2HD1 LEU 1 1.685 2.192 -4.011 8 HD13 LEU 1 3HD1 LEU 1 1.312 2.808 -2.401 9 HD21 LEU 1 1HD2 LEU 1 3.975 2.223 -4.032 10 HD22 LEU 1 2HD2 LEU 1 4.963 1.573 -2.724 11 HD23 LEU 1 3HD2 LEU 1 4.079 3.082 -2.495 12 H GLY 2 H GLY 2 0.168 -0.565 -1.942 13 HA2 GLY 2 2HA GLY 2 1.476 -2.513 -3.288 14 HA3 GLY 2 3HA GLY 2 1.075 -3.303 -1.771 15 H GLN 3 H GLN 3 -0.137 -2.065 -4.771 16 HA GLN 3 HA GLN 3 -2.825 -1.960 -4.512 17 HB2 GLN 3 2HB GLN 3 -1.411 -3.433 -6.741 18 HB3 GLN 3 3HB GLN 3 -3.021 -2.730 -6.814 19 HG2 GLN 3 2HG GLN 3 -2.074 -0.503 -6.541 20 HG3 GLN 3 3HG GLN 3 -0.457 -1.199 -6.441 21 HE21 GLN 3 1HE2 GLN 3 -3.009 -0.204 -8.494 22 HE22 GLN 3 2HE2 GLN 3 -2.233 -0.544 -10.000 23 H GLN 4 H GLN 4 -4.091 -3.229 -3.321 24 HA GLN 4 HA GLN 4 -3.639 -5.839 -2.554 25 HB2 GLN 4 2HB GLN 4 -6.179 -5.932 -2.250 26 HB3 GLN 4 3HB GLN 4 -5.308 -4.675 -1.382 27 HG2 GLN 4 2HG GLN 4 -6.279 -3.902 -4.041 28 HG3 GLN 4 3HG GLN 4 -7.534 -4.266 -2.857 29 HE21 GLN 4 1HE2 GLN 4 -6.462 -1.740 -4.155 30 HE22 GLN 4 2HE2 GLN 4 -6.210 -0.666 -2.826 31 H GLN 5 H GLN 5 -3.601 -7.707 -3.603 32 HA GLN 5 HA GLN 5 -4.694 -7.838 -6.307 33 HB2 GLN 5 2HB GLN 5 -2.410 -8.580 -6.073 34 HB3 GLN 5 3HB GLN 5 -2.857 -9.686 -4.781 35 HG2 GLN 5 2HG GLN 5 -4.291 -10.895 -6.444 36 HG3 GLN 5 3HG GLN 5 -3.566 -9.885 -7.693 37 HE21 GLN 5 1HE2 GLN 5 -2.269 -11.178 -8.800 38 HE22 GLN 5 2HE2 GLN 5 -1.054 -12.204 -8.126 39 HA PRO 6 HA PRO 6 -8.250 -10.102 -5.010 40 HB2 PRO 6 2HB PRO 6 -8.945 -11.137 -7.421 41 HB3 PRO 6 3HB PRO 6 -9.198 -9.441 -6.995 42 HG2 PRO 6 2HG PRO 6 -7.003 -10.682 -8.608 43 HG3 PRO 6 3HG PRO 6 -7.909 -9.189 -8.914 44 HD2 PRO 6 2HD PRO 6 -5.426 -9.189 -7.836 45 HD3 PRO 6 3HD PRO 6 -6.645 -7.966 -7.424 46 H PHE 7 H PHE 7 -7.857 -11.851 -3.778 47 HA PHE 7 HA PHE 7 -6.091 -13.906 -4.198 48 HB2 PHE 7 2HB PHE 7 -7.711 -15.279 -2.745 49 HB3 PHE 7 3HB PHE 7 -7.063 -13.791 -2.062 50 HD1 PHE 7 HD1 PHE 7 -8.495 -12.190 -1.202 51 HD2 PHE 7 HD2 PHE 7 -10.019 -15.130 -3.876 52 HE1 PHE 7 HE1 PHE 7 -10.782 -11.387 -0.776 53 HE2 PHE 7 HE2 PHE 7 -12.307 -14.332 -3.455 54 HZ PHE 7 HZ PHE 7 -12.691 -12.458 -1.904 55 HA PRO 8 HA PRO 8 -7.622 -16.508 -7.381 56 HB2 PRO 8 2HB PRO 8 -6.934 -18.969 -6.465 57 HB3 PRO 8 3HB PRO 8 -5.751 -17.804 -7.072 58 HG2 PRO 8 2HG PRO 8 -6.500 -18.444 -4.245 59 HG3 PRO 8 3HG PRO 8 -4.891 -18.183 -4.945 60 HD2 PRO 8 2HD PRO 8 -6.199 -16.270 -3.545 61 HD3 PRO 8 3HD PRO 8 -5.100 -15.888 -4.886 62 HA PRO 9 HA PRO 9 -11.589 -18.181 -6.485 63 HB2 PRO 9 2HB PRO 9 -11.729 -20.320 -8.150 64 HB3 PRO 9 3HB PRO 9 -11.802 -18.650 -8.724 65 HG2 PRO 9 2HG PRO 9 -9.480 -20.539 -8.683 66 HG3 PRO 9 3HG PRO 9 -9.995 -19.427 -9.964 67 HD2 PRO 9 2HD PRO 9 -7.961 -18.857 -8.269 68 HD3 PRO 9 3HD PRO 9 -9.022 -17.603 -8.944 69 H GLN 10 H GLN 10 -12.366 -19.347 -4.844 70 HA GLN 10 HA GLN 10 -12.587 -20.927 -3.224 71 HB2 GLN 10 2HB GLN 10 -12.176 -22.322 -5.607 72 HB3 GLN 10 3HB GLN 10 -11.078 -23.074 -4.458 73 HG2 GLN 10 2HG GLN 10 -13.292 -22.956 -2.951 74 HG3 GLN 10 3HG GLN 10 -14.022 -23.076 -4.552 75 HE21 GLN 10 1HE2 GLN 10 -14.591 -25.086 -4.933 76 HE22 GLN 10 2HE2 GLN 10 -13.666 -26.498 -4.565 77 H GLN 11 H GLN 11 -11.348 -20.111 -1.599 78 HA GLN 11 HA GLN 11 -8.599 -19.906 -1.473 79 HB2 GLN 11 2HB GLN 11 -8.826 -19.595 0.863 80 HB3 GLN 11 3HB GLN 11 -10.310 -18.974 0.151 81 HG2 GLN 11 2HG GLN 11 -11.421 -21.112 0.704 82 HG3 GLN 11 3HG GLN 11 -9.943 -21.631 1.514 83 HE21 GLN 11 1HE2 GLN 11 -12.135 -18.838 1.459 84 HE22 GLN 11 2HE2 GLN 11 -12.162 -18.610 3.171 85 HA PRO 12 HA PRO 12 -6.966 -23.955 -1.030 86 HB2 PRO 12 2HB PRO 12 -4.823 -23.477 0.566 87 HB3 PRO 12 3HB PRO 12 -4.883 -22.993 -1.133 88 HG2 PRO 12 2HG PRO 12 -5.375 -21.353 1.322 89 HG3 PRO 12 3HG PRO 12 -4.462 -20.933 -0.139 90 HD2 PRO 12 2HD PRO 12 -6.994 -20.077 0.294 91 HD3 PRO 12 3HD PRO 12 -6.366 -20.417 -1.332 92 H TYR 13 H TYR 13 -6.817 -25.717 0.380 93 HA TYR 13 HA TYR 13 -8.611 -25.918 2.439 94 HB2 TYR 13 2HB TYR 13 -7.645 -28.007 2.967 95 HB3 TYR 13 3HB TYR 13 -7.326 -27.781 1.251 96 HD1 TYR 13 HD1 TYR 13 -4.999 -26.537 0.770 97 HD2 TYR 13 HD2 TYR 13 -5.909 -28.780 4.269 98 HE1 TYR 13 HE1 TYR 13 -2.596 -26.881 1.167 99 HE2 TYR 13 HE2 TYR 13 -3.509 -29.128 4.677 100 HH TYR 13 HH TYR 13 -1.276 -27.658 3.895 Start of MODEL 34 1 H1 LEU 1 H LEU 1 2.084 2.392 0.052 2 HA LEU 1 HA LEU 1 0.886 2.062 -1.853 3 HB2 LEU 1 2HB LEU 1 3.184 3.379 -2.650 4 HB3 LEU 1 3HB LEU 1 3.094 1.998 -3.741 5 HG LEU 1 HG LEU 1 2.045 3.860 -4.803 6 HD11 LEU 1 1HD1 LEU 1 -0.068 2.948 -5.326 7 HD12 LEU 1 2HD1 LEU 1 -0.204 2.165 -3.752 8 HD13 LEU 1 3HD1 LEU 1 0.970 1.579 -4.930 9 HD21 LEU 1 1HD2 LEU 1 1.244 4.528 -2.169 10 HD22 LEU 1 2HD2 LEU 1 -0.214 4.354 -3.148 11 HD23 LEU 1 3HD2 LEU 1 1.056 5.472 -3.647 12 H GLY 2 H GLY 2 0.174 0.345 -3.084 13 HA2 GLY 2 2HA GLY 2 1.527 -1.731 -4.203 14 HA3 GLY 2 3HA GLY 2 1.412 -2.193 -2.511 15 H GLN 3 H GLN 3 -0.477 -1.347 -5.370 16 HA GLN 3 HA GLN 3 -3.040 -1.659 -4.573 17 HB2 GLN 3 2HB GLN 3 -1.890 -2.932 -7.061 18 HB3 GLN 3 3HB GLN 3 -3.572 -2.491 -6.799 19 HG2 GLN 3 2HG GLN 3 -2.950 -0.140 -6.691 20 HG3 GLN 3 3HG GLN 3 -1.258 -0.572 -6.928 21 HE21 GLN 3 1HE2 GLN 3 -1.292 0.801 -8.777 22 HE22 GLN 3 2HE2 GLN 3 -1.953 0.240 -10.271 23 H GLN 4 H GLN 4 -3.913 -3.100 -3.245 24 HA GLN 4 HA GLN 4 -2.902 -5.568 -2.544 25 HB2 GLN 4 2HB GLN 4 -5.314 -6.089 -1.863 26 HB3 GLN 4 3HB GLN 4 -4.559 -4.674 -1.140 27 HG2 GLN 4 2HG GLN 4 -5.989 -4.103 -3.618 28 HG3 GLN 4 3HG GLN 4 -7.013 -4.736 -2.330 29 HE21 GLN 4 1HE2 GLN 4 -6.644 -2.025 -3.616 30 HE22 GLN 4 2HE2 GLN 4 -6.457 -0.947 -2.279 31 H GLN 5 H GLN 5 -2.931 -7.569 -3.381 32 HA GLN 5 HA GLN 5 -4.012 -7.907 -6.053 33 HB2 GLN 5 2HB GLN 5 -1.770 -8.713 -5.672 34 HB3 GLN 5 3HB GLN 5 -2.308 -9.695 -4.315 35 HG2 GLN 5 2HG GLN 5 -3.728 -10.978 -5.933 36 HG3 GLN 5 3HG GLN 5 -2.919 -10.099 -7.229 37 HE21 GLN 5 1HE2 GLN 5 -1.902 -11.825 -8.137 38 HE22 GLN 5 2HE2 GLN 5 -0.651 -12.721 -7.353 39 HA PRO 6 HA PRO 6 -7.701 -9.927 -4.722 40 HB2 PRO 6 2HB PRO 6 -8.350 -11.124 -7.071 41 HB3 PRO 6 3HB PRO 6 -8.549 -9.391 -6.789 42 HG2 PRO 6 2HG PRO 6 -6.349 -10.837 -8.212 43 HG3 PRO 6 3HG PRO 6 -7.183 -9.341 -8.670 44 HD2 PRO 6 2HD PRO 6 -4.742 -9.348 -7.498 45 HD3 PRO 6 3HD PRO 6 -5.925 -8.051 -7.232 46 H PHE 7 H PHE 7 -7.459 -11.595 -3.354 47 HA PHE 7 HA PHE 7 -5.751 -13.734 -3.520 48 HB2 PHE 7 2HB PHE 7 -7.500 -14.937 -2.064 49 HB3 PHE 7 3HB PHE 7 -6.834 -13.425 -1.457 50 HD1 PHE 7 HD1 PHE 7 -8.282 -11.836 -0.650 51 HD2 PHE 7 HD2 PHE 7 -9.702 -14.677 -3.484 52 HE1 PHE 7 HE1 PHE 7 -10.556 -10.927 -0.417 53 HE2 PHE 7 HE2 PHE 7 -11.978 -13.772 -3.256 54 HZ PHE 7 HZ PHE 7 -12.408 -11.894 -1.721 55 HA PRO 8 HA PRO 8 -7.205 -16.516 -6.584 56 HB2 PRO 8 2HB PRO 8 -6.661 -18.923 -5.451 57 HB3 PRO 8 3HB PRO 8 -5.403 -17.848 -6.074 58 HG2 PRO 8 2HG PRO 8 -6.329 -18.246 -3.255 59 HG3 PRO 8 3HG PRO 8 -4.676 -18.093 -3.879 60 HD2 PRO 8 2HD PRO 8 -5.985 -16.036 -2.701 61 HD3 PRO 8 3HD PRO 8 -4.800 -15.795 -4.001 62 HA PRO 9 HA PRO 9 -11.275 -17.981 -5.796 63 HB2 PRO 9 2HB PRO 9 -11.405 -20.235 -7.304 64 HB3 PRO 9 3HB PRO 9 -11.383 -18.611 -8.003 65 HG2 PRO 9 2HG PRO 9 -9.141 -20.570 -7.690 66 HG3 PRO 9 3HG PRO 9 -9.542 -19.540 -9.077 67 HD2 PRO 9 2HD PRO 9 -7.584 -18.913 -7.315 68 HD3 PRO 9 3HD PRO 9 -8.557 -17.678 -8.140 69 H GLN 10 H GLN 10 -10.828 -18.462 -3.528 70 HA GLN 10 HA GLN 10 -10.942 -19.802 -1.694 71 HB2 GLN 10 2HB GLN 10 -12.792 -20.798 -3.229 72 HB3 GLN 10 3HB GLN 10 -11.661 -22.127 -3.450 73 HG2 GLN 10 2HG GLN 10 -11.585 -22.216 -0.885 74 HG3 GLN 10 3HG GLN 10 -13.049 -21.237 -0.955 75 HE21 GLN 10 1HE2 GLN 10 -12.912 -23.810 0.152 76 HE22 GLN 10 2HE2 GLN 10 -13.897 -24.863 -0.800 77 H GLN 11 H GLN 11 -8.884 -19.975 -0.985 78 HA GLN 11 HA GLN 11 -6.745 -21.216 -2.209 79 HB2 GLN 11 2HB GLN 11 -5.620 -21.113 -0.128 80 HB3 GLN 11 3HB GLN 11 -6.723 -19.744 -0.144 81 HG2 GLN 11 2HG GLN 11 -8.296 -20.988 1.244 82 HG3 GLN 11 3HG GLN 11 -7.197 -22.366 1.255 83 HE21 GLN 11 1HE2 GLN 11 -7.255 -18.900 1.994 84 HE22 GLN 11 2HE2 GLN 11 -6.249 -19.006 3.394 85 HA PRO 12 HA PRO 12 -7.371 -25.551 -1.942 86 HB2 PRO 12 2HB PRO 12 -4.817 -26.426 -1.651 87 HB3 PRO 12 3HB PRO 12 -5.444 -25.781 -3.172 88 HG2 PRO 12 2HG PRO 12 -3.790 -24.424 -1.078 89 HG3 PRO 12 3HG PRO 12 -3.635 -24.358 -2.843 90 HD2 PRO 12 2HD PRO 12 -4.819 -22.389 -1.410 91 HD3 PRO 12 3HD PRO 12 -5.325 -22.806 -3.059 92 H TYR 13 H TYR 13 -8.511 -25.648 0.050 93 HA TYR 13 HA TYR 13 -7.539 -25.462 2.604 94 HB2 TYR 13 2HB TYR 13 -9.427 -26.688 3.322 95 HB3 TYR 13 3HB TYR 13 -9.937 -25.896 1.835 96 HD1 TYR 13 HD1 TYR 13 -9.718 -27.313 -0.343 97 HD2 TYR 13 HD2 TYR 13 -9.766 -28.970 3.576 98 HE1 TYR 13 HE1 TYR 13 -10.385 -29.489 -1.277 99 HE2 TYR 13 HE2 TYR 13 -10.432 -31.150 2.652 100 HH TYR 13 HH TYR 13 -10.923 -31.594 -0.840 Start of MODEL 35 1 H1 LEU 1 H LEU 1 1.012 -0.656 -7.644 2 HA LEU 1 HA LEU 1 2.204 -0.211 -5.349 3 HB2 LEU 1 2HB LEU 1 0.639 1.918 -6.798 4 HB3 LEU 1 3HB LEU 1 1.912 2.225 -5.619 5 HG LEU 1 HG LEU 1 3.166 0.617 -7.465 6 HD11 LEU 1 1HD1 LEU 1 1.475 2.582 -8.997 7 HD12 LEU 1 2HD1 LEU 1 1.158 0.849 -8.925 8 HD13 LEU 1 3HD1 LEU 1 2.654 1.442 -9.645 9 HD21 LEU 1 1HD2 LEU 1 4.160 2.811 -8.246 10 HD22 LEU 1 2HD2 LEU 1 4.243 2.489 -6.513 11 HD23 LEU 1 3HD2 LEU 1 3.032 3.605 -7.146 12 H GLY 2 H GLY 2 1.126 -1.168 -3.595 13 HA2 GLY 2 2HA GLY 2 0.119 -0.705 -1.520 14 HA3 GLY 2 3HA GLY 2 -0.728 0.646 -2.258 15 H GLN 3 H GLN 3 -1.952 -0.590 -4.404 16 HA GLN 3 HA GLN 3 -4.338 -1.446 -3.469 17 HB2 GLN 3 2HB GLN 3 -3.006 -2.566 -5.940 18 HB3 GLN 3 3HB GLN 3 -4.734 -2.517 -5.619 19 HG2 GLN 3 2HG GLN 3 -4.686 -0.083 -5.665 20 HG3 GLN 3 3HG GLN 3 -2.948 -0.119 -5.961 21 HE21 GLN 3 1HE2 GLN 3 -6.068 -1.077 -7.284 22 HE22 GLN 3 2HE2 GLN 3 -5.585 -1.031 -8.942 23 H GLN 4 H GLN 4 -4.824 -2.979 -2.052 24 HA GLN 4 HA GLN 4 -3.231 -5.081 -1.246 25 HB2 GLN 4 2HB GLN 4 -5.432 -6.128 -0.464 26 HB3 GLN 4 3HB GLN 4 -5.033 -4.532 0.156 27 HG2 GLN 4 2HG GLN 4 -6.633 -4.565 -2.309 28 HG3 GLN 4 3HG GLN 4 -7.427 -5.208 -0.872 29 HE21 GLN 4 1HE2 GLN 4 -7.553 -3.837 1.001 30 HE22 GLN 4 2HE2 GLN 4 -7.600 -2.121 0.807 31 H GLN 5 H GLN 5 -2.562 -6.866 -2.221 32 HA GLN 5 HA GLN 5 -3.291 -7.642 -4.789 33 HB2 GLN 5 2HB GLN 5 -1.199 -8.357 -3.823 34 HB3 GLN 5 3HB GLN 5 -2.037 -9.252 -2.562 35 HG2 GLN 5 2HG GLN 5 -3.016 -10.688 -4.368 36 HG3 GLN 5 3HG GLN 5 -1.928 -9.883 -5.498 37 HE21 GLN 5 1HE2 GLN 5 -1.703 -12.517 -5.334 38 HE22 GLN 5 2HE2 GLN 5 -0.282 -12.981 -4.467 39 HA PRO 6 HA PRO 6 -7.174 -9.658 -4.223 40 HB2 PRO 6 2HB PRO 6 -7.230 -11.040 -6.559 41 HB3 PRO 6 3HB PRO 6 -7.507 -9.297 -6.468 42 HG2 PRO 6 2HG PRO 6 -5.017 -10.784 -7.210 43 HG3 PRO 6 3HG PRO 6 -5.730 -9.348 -7.967 44 HD2 PRO 6 2HD PRO 6 -3.641 -9.203 -6.251 45 HD3 PRO 6 3HD PRO 6 -4.865 -7.923 -6.375 46 H PHE 7 H PHE 7 -7.684 -11.409 -3.077 47 HA PHE 7 HA PHE 7 -5.949 -13.376 -2.275 48 HB2 PHE 7 2HB PHE 7 -8.083 -14.749 -1.842 49 HB3 PHE 7 3HB PHE 7 -7.943 -13.184 -1.047 50 HD1 PHE 7 HD1 PHE 7 -9.498 -14.952 -3.897 51 HD2 PHE 7 HD2 PHE 7 -9.517 -11.483 -1.430 52 HE1 PHE 7 HE1 PHE 7 -11.649 -14.269 -4.878 53 HE2 PHE 7 HE2 PHE 7 -11.668 -10.796 -2.407 54 HZ PHE 7 HZ PHE 7 -12.737 -12.190 -4.132 55 HA PRO 8 HA PRO 8 -5.423 -16.264 -5.536 56 HB2 PRO 8 2HB PRO 8 -5.320 -18.615 -4.183 57 HB3 PRO 8 3HB PRO 8 -4.016 -17.423 -4.137 58 HG2 PRO 8 2HG PRO 8 -6.195 -17.925 -2.147 59 HG3 PRO 8 3HG PRO 8 -4.473 -17.612 -1.865 60 HD2 PRO 8 2HD PRO 8 -6.366 -15.696 -1.588 61 HD3 PRO 8 3HD PRO 8 -4.714 -15.335 -2.129 62 HA PRO 9 HA PRO 9 -9.197 -18.112 -6.831 63 HB2 PRO 9 2HB PRO 9 -8.359 -20.358 -8.106 64 HB3 PRO 9 3HB PRO 9 -8.128 -18.735 -8.767 65 HG2 PRO 9 2HG PRO 9 -6.188 -20.475 -7.292 66 HG3 PRO 9 3HG PRO 9 -5.924 -19.478 -8.735 67 HD2 PRO 9 2HD PRO 9 -5.178 -18.680 -6.257 68 HD3 PRO 9 3HD PRO 9 -5.707 -17.538 -7.510 69 H GLN 10 H GLN 10 -9.840 -18.551 -4.576 70 HA GLN 10 HA GLN 10 -10.751 -19.908 -2.994 71 HB2 GLN 10 2HB GLN 10 -10.350 -22.189 -4.925 72 HB3 GLN 10 3HB GLN 10 -11.544 -22.062 -3.641 73 HG2 GLN 10 2HG GLN 10 -12.100 -19.871 -5.186 74 HG3 GLN 10 3HG GLN 10 -11.621 -21.077 -6.380 75 HE21 GLN 10 1HE2 GLN 10 -14.226 -19.787 -5.155 76 HE22 GLN 10 2HE2 GLN 10 -15.296 -21.142 -5.092 77 H GLN 11 H GLN 11 -9.255 -19.880 -1.392 78 HA GLN 11 HA GLN 11 -6.722 -20.976 -1.388 79 HB2 GLN 11 2HB GLN 11 -6.729 -20.738 0.968 80 HB3 GLN 11 3HB GLN 11 -7.770 -19.460 0.355 81 HG2 GLN 11 2HG GLN 11 -9.716 -21.004 0.817 82 HG3 GLN 11 3HG GLN 11 -8.575 -22.021 1.696 83 HE21 GLN 11 1HE2 GLN 11 -10.714 -21.016 3.004 84 HE22 GLN 11 2HE2 GLN 11 -10.220 -19.788 4.114 85 HA PRO 12 HA PRO 12 -7.147 -25.340 -1.201 86 HB2 PRO 12 2HB PRO 12 -4.993 -26.005 0.311 87 HB3 PRO 12 3HB PRO 12 -4.857 -25.446 -1.360 88 HG2 PRO 12 2HG PRO 12 -4.479 -23.917 1.186 89 HG3 PRO 12 3HG PRO 12 -3.507 -23.878 -0.297 90 HD2 PRO 12 2HD PRO 12 -5.343 -21.977 0.292 91 HD3 PRO 12 3HD PRO 12 -4.979 -22.469 -1.374 92 H TYR 13 H TYR 13 -8.939 -25.920 -0.059 93 HA TYR 13 HA TYR 13 -9.578 -25.434 2.559 94 HB2 TYR 13 2HB TYR 13 -11.181 -27.161 2.402 95 HB3 TYR 13 3HB TYR 13 -10.986 -26.572 0.755 96 HD1 TYR 13 HD1 TYR 13 -10.926 -29.432 2.875 97 HD2 TYR 13 HD2 TYR 13 -9.382 -27.883 -0.775 98 HE1 TYR 13 HE1 TYR 13 -10.424 -31.719 2.124 99 HE2 TYR 13 HE2 TYR 13 -8.877 -30.166 -1.537 100 HH TYR 13 HH TYR 13 -8.440 -32.392 -0.516 Start of MODEL 36 1 H1 LEU 1 H LEU 1 1.199 1.385 0.084 2 HA LEU 1 HA LEU 1 1.684 0.362 -2.183 3 HB2 LEU 1 2HB LEU 1 3.802 -0.812 -1.376 4 HB3 LEU 1 3HB LEU 1 3.614 0.900 -1.003 5 HG LEU 1 HG LEU 1 2.694 -0.985 1.076 6 HD11 LEU 1 1HD1 LEU 1 5.203 -1.002 1.834 7 HD12 LEU 1 2HD1 LEU 1 5.506 -0.876 0.101 8 HD13 LEU 1 3HD1 LEU 1 4.583 -2.237 0.738 9 HD21 LEU 1 1HD2 LEU 1 2.619 1.076 1.965 10 HD22 LEU 1 2HD2 LEU 1 3.791 1.728 0.819 11 HD23 LEU 1 3HD2 LEU 1 4.345 0.828 2.232 12 H GLY 2 H GLY 2 0.480 -1.157 -3.173 13 HA2 GLY 2 2HA GLY 2 0.972 -3.726 -3.432 14 HA3 GLY 2 3HA GLY 2 0.125 -3.766 -1.892 15 H GLN 3 H GLN 3 -0.189 -2.901 -5.299 16 HA GLN 3 HA GLN 3 -2.762 -2.107 -5.536 17 HB2 GLN 3 2HB GLN 3 -1.476 -4.186 -7.315 18 HB3 GLN 3 3HB GLN 3 -2.815 -3.130 -7.746 19 HG2 GLN 3 2HG GLN 3 -1.364 -1.186 -7.536 20 HG3 GLN 3 3HG GLN 3 -0.021 -2.233 -7.078 21 HE21 GLN 3 1HE2 GLN 3 -1.669 -0.765 -9.616 22 HE22 GLN 3 2HE2 GLN 3 -0.884 -1.570 -10.927 23 H GLN 4 H GLN 4 -4.475 -2.845 -4.461 24 HA GLN 4 HA GLN 4 -4.845 -5.350 -3.367 25 HB2 GLN 4 2HB GLN 4 -7.335 -4.773 -3.507 26 HB3 GLN 4 3HB GLN 4 -6.297 -3.657 -2.630 27 HG2 GLN 4 2HG GLN 4 -6.538 -2.988 -5.447 28 HG3 GLN 4 3HG GLN 4 -8.088 -3.003 -4.608 29 HE21 GLN 4 1HE2 GLN 4 -5.884 -0.970 -5.603 30 HE22 GLN 4 2HE2 GLN 4 -5.888 0.201 -4.334 31 H GLN 5 H GLN 5 -4.567 -7.169 -4.521 32 HA GLN 5 HA GLN 5 -5.905 -7.412 -7.120 33 HB2 GLN 5 2HB GLN 5 -3.550 -7.936 -7.184 34 HB3 GLN 5 3HB GLN 5 -3.719 -9.053 -5.836 35 HG2 GLN 5 2HG GLN 5 -5.238 -10.421 -7.287 36 HG3 GLN 5 3HG GLN 5 -4.780 -9.373 -8.628 37 HE21 GLN 5 1HE2 GLN 5 -4.076 -12.181 -7.008 38 HE22 GLN 5 2HE2 GLN 5 -2.478 -12.451 -7.606 39 HA PRO 6 HA PRO 6 -9.033 -9.969 -5.350 40 HB2 PRO 6 2HB PRO 6 -9.936 -11.110 -7.641 41 HB3 PRO 6 3HB PRO 6 -10.289 -9.436 -7.198 42 HG2 PRO 6 2HG PRO 6 -8.216 -10.501 -9.077 43 HG3 PRO 6 3HG PRO 6 -9.291 -9.104 -9.272 44 HD2 PRO 6 2HD PRO 6 -6.699 -8.855 -8.529 45 HD3 PRO 6 3HD PRO 6 -7.964 -7.742 -7.970 46 H PHE 7 H PHE 7 -8.181 -11.597 -4.151 47 HA PHE 7 HA PHE 7 -6.358 -13.516 -4.865 48 HB2 PHE 7 2HB PHE 7 -7.528 -14.952 -3.078 49 HB3 PHE 7 3HB PHE 7 -6.891 -13.388 -2.581 50 HD1 PHE 7 HD1 PHE 7 -10.013 -15.063 -3.698 51 HD2 PHE 7 HD2 PHE 7 -8.265 -11.853 -1.517 52 HE1 PHE 7 HE1 PHE 7 -12.234 -14.437 -2.845 53 HE2 PHE 7 HE2 PHE 7 -10.483 -11.223 -0.660 54 HZ PHE 7 HZ PHE 7 -12.472 -12.516 -1.323 55 HA PRO 8 HA PRO 8 -8.255 -16.373 -7.601 56 HB2 PRO 8 2HB PRO 8 -7.181 -18.727 -6.778 57 HB3 PRO 8 3HB PRO 8 -6.251 -17.497 -7.643 58 HG2 PRO 8 2HG PRO 8 -6.362 -18.071 -4.707 59 HG3 PRO 8 3HG PRO 8 -4.955 -17.710 -5.724 60 HD2 PRO 8 2HD PRO 8 -6.123 -15.850 -4.140 61 HD3 PRO 8 3HD PRO 8 -5.351 -15.440 -5.685 62 HA PRO 9 HA PRO 9 -11.798 -18.324 -5.877 63 HB2 PRO 9 2HB PRO 9 -12.077 -20.539 -7.421 64 HB3 PRO 9 3HB PRO 9 -12.411 -18.907 -8.013 65 HG2 PRO 9 2HG PRO 9 -9.969 -20.597 -8.392 66 HG3 PRO 9 3HG PRO 9 -10.825 -19.587 -9.572 67 HD2 PRO 9 2HD PRO 9 -8.554 -18.779 -8.339 68 HD3 PRO 9 3HD PRO 9 -9.834 -17.647 -8.819 69 H GLN 10 H GLN 10 -12.403 -19.782 -4.331 70 HA GLN 10 HA GLN 10 -12.209 -21.364 -2.710 71 HB2 GLN 10 2HB GLN 10 -12.024 -22.806 -4.814 72 HB3 GLN 10 3HB GLN 10 -10.291 -22.820 -4.519 73 HG2 GLN 10 2HG GLN 10 -10.579 -23.933 -2.433 74 HG3 GLN 10 3HG GLN 10 -12.329 -23.736 -2.509 75 HE21 GLN 10 1HE2 GLN 10 -10.503 -26.118 -2.366 76 HE22 GLN 10 2HE2 GLN 10 -11.029 -27.142 -3.654 77 H GLN 11 H GLN 11 -11.181 -20.304 -1.087 78 HA GLN 11 HA GLN 11 -8.551 -19.437 -1.021 79 HB2 GLN 11 2HB GLN 11 -8.816 -19.151 1.315 80 HB3 GLN 11 3HB GLN 11 -10.412 -18.902 0.618 81 HG2 GLN 11 2HG GLN 11 -10.963 -21.255 1.203 82 HG3 GLN 11 3HG GLN 11 -9.414 -21.357 2.039 83 HE21 GLN 11 1HE2 GLN 11 -12.641 -20.177 2.132 84 HE22 GLN 11 2HE2 GLN 11 -12.596 -19.540 3.737 85 HA PRO 12 HA PRO 12 -6.019 -22.990 -0.553 86 HB2 PRO 12 2HB PRO 12 -4.026 -22.004 1.004 87 HB3 PRO 12 3HB PRO 12 -4.216 -21.573 -0.700 88 HG2 PRO 12 2HG PRO 12 -5.046 -20.054 1.743 89 HG3 PRO 12 3HG PRO 12 -4.273 -19.457 0.263 90 HD2 PRO 12 2HD PRO 12 -6.929 -19.204 0.724 91 HD3 PRO 12 3HD PRO 12 -6.259 -19.414 -0.907 92 H TYR 13 H TYR 13 -6.582 -24.703 0.628 93 HA TYR 13 HA TYR 13 -7.784 -24.754 3.088 94 HB2 TYR 13 2HB TYR 13 -7.359 -27.076 3.155 95 HB3 TYR 13 3HB TYR 13 -7.427 -26.677 1.442 96 HD1 TYR 13 HD1 TYR 13 -5.396 -27.980 4.128 97 HD2 TYR 13 HD2 TYR 13 -5.292 -26.483 0.146 98 HE1 TYR 13 HE1 TYR 13 -3.174 -28.988 3.813 99 HE2 TYR 13 HE2 TYR 13 -3.071 -27.488 -0.180 100 HH TYR 13 HH TYR 13 -1.826 -29.817 1.601 Start of MODEL 37 1 H1 LEU 1 H LEU 1 -2.654 5.275 -7.019 2 HA LEU 1 HA LEU 1 -2.618 2.622 -8.214 3 HB2 LEU 1 2HB LEU 1 -0.637 4.083 -6.478 4 HB3 LEU 1 3HB LEU 1 -0.396 2.450 -7.096 5 HG LEU 1 HG LEU 1 -0.871 3.800 -9.399 6 HD11 LEU 1 1HD1 LEU 1 -0.970 5.983 -8.613 7 HD12 LEU 1 2HD1 LEU 1 0.703 5.823 -9.145 8 HD13 LEU 1 3HD1 LEU 1 0.311 5.722 -7.429 9 HD21 LEU 1 1HD2 LEU 1 0.937 2.328 -9.270 10 HD22 LEU 1 2HD2 LEU 1 1.666 3.192 -7.917 11 HD23 LEU 1 3HD2 LEU 1 1.688 3.903 -9.532 12 H GLY 2 H GLY 2 -2.347 0.696 -6.947 13 HA2 GLY 2 2HA GLY 2 -2.624 0.663 -4.125 14 HA3 GLY 2 3HA GLY 2 -4.185 0.393 -4.884 15 H GLN 3 H GLN 3 -0.898 -0.839 -4.589 16 HA GLN 3 HA GLN 3 -0.889 -3.076 -6.105 17 HB2 GLN 3 2HB GLN 3 0.030 -2.997 -3.227 18 HB3 GLN 3 3HB GLN 3 0.585 -4.113 -4.468 19 HG2 GLN 3 2HG GLN 3 1.557 -2.261 -5.715 20 HG3 GLN 3 3HG GLN 3 0.985 -1.130 -4.489 21 HE21 GLN 3 1HE2 GLN 3 3.584 -1.080 -5.041 22 HE22 GLN 3 2HE2 GLN 3 4.512 -1.798 -3.773 23 H GLN 4 H GLN 4 -2.496 -4.465 -6.444 24 HA GLN 4 HA GLN 4 -4.636 -5.017 -4.793 25 HB2 GLN 4 2HB GLN 4 -4.769 -7.209 -6.109 26 HB3 GLN 4 3HB GLN 4 -4.828 -5.711 -7.029 27 HG2 GLN 4 2HG GLN 4 -2.917 -6.148 -8.102 28 HG3 GLN 4 3HG GLN 4 -2.134 -6.787 -6.658 29 HE21 GLN 4 1HE2 GLN 4 -4.948 -7.711 -8.618 30 HE22 GLN 4 2HE2 GLN 4 -4.472 -9.357 -8.832 31 H GLN 5 H GLN 5 -5.179 -6.859 -3.502 32 HA GLN 5 HA GLN 5 -2.900 -7.807 -1.945 33 HB2 GLN 5 2HB GLN 5 -4.711 -6.849 -0.669 34 HB3 GLN 5 3HB GLN 5 -5.876 -7.916 -1.442 35 HG2 GLN 5 2HG GLN 5 -4.645 -9.844 -0.416 36 HG3 GLN 5 3HG GLN 5 -3.712 -8.664 0.503 37 HE21 GLN 5 1HE2 GLN 5 -5.618 -10.771 1.339 38 HE22 GLN 5 2HE2 GLN 5 -6.796 -9.959 2.307 39 HA PRO 6 HA PRO 6 -2.951 -11.792 -3.837 40 HB2 PRO 6 2HB PRO 6 -1.557 -13.136 -1.934 41 HB3 PRO 6 3HB PRO 6 -0.798 -12.009 -3.065 42 HG2 PRO 6 2HG PRO 6 -1.632 -11.567 -0.224 43 HG3 PRO 6 3HG PRO 6 -0.146 -11.057 -1.045 44 HD2 PRO 6 2HD PRO 6 -2.221 -9.373 -0.609 45 HD3 PRO 6 3HD PRO 6 -1.164 -9.239 -2.030 46 H PHE 7 H PHE 7 -5.163 -12.303 -3.715 47 HA PHE 7 HA PHE 7 -5.804 -14.390 -1.865 48 HB2 PHE 7 2HB PHE 7 -6.324 -12.511 -0.418 49 HB3 PHE 7 3HB PHE 7 -7.305 -11.771 -1.679 50 HD1 PHE 7 HD1 PHE 7 -9.560 -11.908 -1.340 51 HD2 PHE 7 HD2 PHE 7 -7.086 -15.105 -0.008 52 HE1 PHE 7 HE1 PHE 7 -11.545 -13.083 -0.484 53 HE2 PHE 7 HE2 PHE 7 -9.068 -16.286 0.849 54 HZ PHE 7 HZ PHE 7 -11.301 -15.275 0.610 55 HA PRO 8 HA PRO 8 -7.812 -14.585 -6.039 56 HB2 PRO 8 2HB PRO 8 -7.075 -17.152 -6.525 57 HB3 PRO 8 3HB PRO 8 -6.042 -15.768 -6.902 58 HG2 PRO 8 2HG PRO 8 -5.954 -17.611 -4.545 59 HG3 PRO 8 3HG PRO 8 -4.615 -16.974 -5.517 60 HD2 PRO 8 2HD PRO 8 -5.287 -15.937 -3.107 61 HD3 PRO 8 3HD PRO 8 -4.616 -14.947 -4.419 62 HA PRO 9 HA PRO 9 -11.444 -16.724 -4.788 63 HB2 PRO 9 2HB PRO 9 -12.246 -17.939 -7.079 64 HB3 PRO 9 3HB PRO 9 -12.356 -16.193 -6.828 65 HG2 PRO 9 2HG PRO 9 -10.285 -17.766 -8.311 66 HG3 PRO 9 3HG PRO 9 -11.072 -16.244 -8.766 67 HD2 PRO 9 2HD PRO 9 -8.585 -16.336 -7.699 68 HD3 PRO 9 3HD PRO 9 -9.698 -14.982 -7.413 69 H GLN 10 H GLN 10 -12.486 -18.850 -4.576 70 HA GLN 10 HA GLN 10 -12.462 -21.044 -3.980 71 HB2 GLN 10 2HB GLN 10 -11.308 -20.918 -6.518 72 HB3 GLN 10 3HB GLN 10 -10.218 -21.936 -5.586 73 HG2 GLN 10 2HG GLN 10 -11.952 -23.473 -5.078 74 HG3 GLN 10 3HG GLN 10 -13.186 -22.386 -5.714 75 HE21 GLN 10 1HE2 GLN 10 -13.841 -24.195 -7.015 76 HE22 GLN 10 2HE2 GLN 10 -13.004 -24.545 -8.485 77 H GLN 11 H GLN 11 -11.775 -20.970 -1.891 78 HA GLN 11 HA GLN 11 -9.262 -20.353 -0.932 79 HB2 GLN 11 2HB GLN 11 -9.914 -21.851 1.036 80 HB3 GLN 11 3HB GLN 11 -10.987 -20.511 0.656 81 HG2 GLN 11 2HG GLN 11 -12.628 -21.898 -0.207 82 HG3 GLN 11 3HG GLN 11 -11.503 -23.229 -0.471 83 HE21 GLN 11 1HE2 GLN 11 -13.410 -24.290 0.634 84 HE22 GLN 11 2HE2 GLN 11 -13.333 -24.411 2.355 85 HA PRO 12 HA PRO 12 -6.569 -23.678 -1.902 86 HB2 PRO 12 2HB PRO 12 -5.009 -23.780 0.318 87 HB3 PRO 12 3HB PRO 12 -4.901 -22.479 -0.873 88 HG2 PRO 12 2HG PRO 12 -6.317 -22.520 1.764 89 HG3 PRO 12 3HG PRO 12 -5.325 -21.237 1.047 90 HD2 PRO 12 2HD PRO 12 -8.032 -21.183 1.002 91 HD3 PRO 12 3HD PRO 12 -7.041 -20.488 -0.297 92 H TYR 13 H TYR 13 -8.316 -25.277 -1.833 93 HA TYR 13 HA TYR 13 -9.353 -27.170 -1.087 94 HB2 TYR 13 2HB TYR 13 -7.473 -28.426 -1.414 95 HB3 TYR 13 3HB TYR 13 -6.485 -27.418 -0.361 96 HD1 TYR 13 HD1 TYR 13 -6.218 -27.940 1.955 97 HD2 TYR 13 HD2 TYR 13 -8.931 -30.177 -0.441 98 HE1 TYR 13 HE1 TYR 13 -6.407 -29.616 3.745 99 HE2 TYR 13 HE2 TYR 13 -9.129 -31.859 1.343 100 HH TYR 13 HH TYR 13 -7.559 -31.410 4.474 Start of MODEL 38 1 H1 LEU 1 H LEU 1 -2.867 5.313 -5.024 2 HA LEU 1 HA LEU 1 -1.799 3.451 -5.914 3 HB2 LEU 1 2HB LEU 1 0.287 4.535 -4.192 4 HB3 LEU 1 3HB LEU 1 0.280 2.773 -4.240 5 HG LEU 1 HG LEU 1 1.836 3.650 -5.870 6 HD11 LEU 1 1HD1 LEU 1 0.111 2.854 -7.930 7 HD12 LEU 1 2HD1 LEU 1 -0.399 1.967 -6.494 8 HD13 LEU 1 3HD1 LEU 1 1.271 1.861 -7.049 9 HD21 LEU 1 1HD2 LEU 1 0.896 5.835 -6.250 10 HD22 LEU 1 2HD2 LEU 1 -0.550 5.129 -6.974 11 HD23 LEU 1 3HD2 LEU 1 1.008 4.979 -7.788 12 H GLY 2 H GLY 2 -1.984 1.240 -5.417 13 HA2 GLY 2 2HA GLY 2 -2.349 0.313 -2.736 14 HA3 GLY 2 3HA GLY 2 -3.883 0.498 -3.573 15 H GLN 3 H GLN 3 -0.678 -0.996 -3.944 16 HA GLN 3 HA GLN 3 -1.044 -2.675 -6.030 17 HB2 GLN 3 2HB GLN 3 0.218 -3.503 -3.411 18 HB3 GLN 3 3HB GLN 3 0.521 -4.222 -4.987 19 HG2 GLN 3 2HG GLN 3 1.493 -2.130 -5.767 20 HG3 GLN 3 3HG GLN 3 1.171 -1.391 -4.199 21 HE21 GLN 3 1HE2 GLN 3 2.765 -4.241 -5.585 22 HE22 GLN 3 2HE2 GLN 3 4.127 -4.208 -4.523 23 H GLN 4 H GLN 4 -2.604 -4.035 -6.571 24 HA GLN 4 HA GLN 4 -4.703 -4.850 -4.978 25 HB2 GLN 4 2HB GLN 4 -4.952 -6.734 -6.693 26 HB3 GLN 4 3HB GLN 4 -4.993 -5.083 -7.297 27 HG2 GLN 4 2HG GLN 4 -2.985 -5.270 -8.361 28 HG3 GLN 4 3HG GLN 4 -2.383 -6.496 -7.246 29 HE21 GLN 4 1HE2 GLN 4 -2.755 -8.627 -7.659 30 HE22 GLN 4 2HE2 GLN 4 -3.474 -9.205 -9.120 31 H GLN 5 H GLN 5 -5.134 -6.557 -3.660 32 HA GLN 5 HA GLN 5 -2.832 -8.074 -2.723 33 HB2 GLN 5 2HB GLN 5 -4.193 -7.037 -1.021 34 HB3 GLN 5 3HB GLN 5 -5.645 -7.798 -1.657 35 HG2 GLN 5 2HG GLN 5 -4.608 -10.013 -1.106 36 HG3 GLN 5 3HG GLN 5 -3.335 -9.127 -0.269 37 HE21 GLN 5 1HE2 GLN 5 -4.386 -10.679 1.389 38 HE22 GLN 5 2HE2 GLN 5 -5.607 -9.969 2.384 39 HA PRO 6 HA PRO 6 -3.914 -11.705 -4.982 40 HB2 PRO 6 2HB PRO 6 -2.462 -13.494 -3.546 41 HB3 PRO 6 3HB PRO 6 -1.730 -12.351 -4.677 42 HG2 PRO 6 2HG PRO 6 -1.958 -12.183 -1.697 43 HG3 PRO 6 3HG PRO 6 -0.575 -11.797 -2.736 44 HD2 PRO 6 2HD PRO 6 -2.212 -9.893 -1.723 45 HD3 PRO 6 3HD PRO 6 -1.417 -9.727 -3.301 46 H PHE 7 H PHE 7 -5.931 -12.468 -4.781 47 HA PHE 7 HA PHE 7 -6.567 -14.312 -2.686 48 HB2 PHE 7 2HB PHE 7 -7.060 -12.267 -1.473 49 HB3 PHE 7 3HB PHE 7 -8.049 -11.678 -2.805 50 HD1 PHE 7 HD1 PHE 7 -10.309 -11.796 -2.487 51 HD2 PHE 7 HD2 PHE 7 -7.825 -14.747 -0.687 52 HE1 PHE 7 HE1 PHE 7 -12.292 -12.844 -1.477 53 HE2 PHE 7 HE2 PHE 7 -9.805 -15.800 0.325 54 HZ PHE 7 HZ PHE 7 -12.042 -14.850 -0.070 55 HA PRO 8 HA PRO 8 -8.618 -14.993 -6.788 56 HB2 PRO 8 2HB PRO 8 -7.902 -17.605 -6.969 57 HB3 PRO 8 3HB PRO 8 -6.865 -16.284 -7.519 58 HG2 PRO 8 2HG PRO 8 -6.764 -17.830 -4.958 59 HG3 PRO 8 3HG PRO 8 -5.431 -17.325 -6.013 60 HD2 PRO 8 2HD PRO 8 -6.072 -16.001 -3.739 61 HD3 PRO 8 3HD PRO 8 -5.408 -15.181 -5.167 62 HA PRO 9 HA PRO 9 -12.250 -16.939 -5.253 63 HB2 PRO 9 2HB PRO 9 -13.084 -18.415 -7.374 64 HB3 PRO 9 3HB PRO 9 -13.181 -16.650 -7.334 65 HG2 PRO 9 2HG PRO 9 -11.135 -18.406 -8.636 66 HG3 PRO 9 3HG PRO 9 -11.917 -16.943 -9.264 67 HD2 PRO 9 2HD PRO 9 -9.420 -16.925 -8.218 68 HD3 PRO 9 3HD PRO 9 -10.521 -15.538 -8.085 69 H GLN 10 H GLN 10 -12.947 -18.758 -4.206 70 HA GLN 10 HA GLN 10 -12.868 -20.819 -3.248 71 HB2 GLN 10 2HB GLN 10 -12.785 -21.264 -5.953 72 HB3 GLN 10 3HB GLN 10 -11.361 -22.133 -5.397 73 HG2 GLN 10 2HG GLN 10 -13.993 -22.525 -4.040 74 HG3 GLN 10 3HG GLN 10 -13.626 -23.362 -5.548 75 HE21 GLN 10 1HE2 GLN 10 -13.917 -24.110 -2.582 76 HE22 GLN 10 2HE2 GLN 10 -12.554 -25.132 -2.297 77 H GLN 11 H GLN 11 -11.508 -20.554 -1.550 78 HA GLN 11 HA GLN 11 -8.788 -20.088 -1.587 79 HB2 GLN 11 2HB GLN 11 -8.813 -21.210 0.711 80 HB3 GLN 11 3HB GLN 11 -9.875 -19.828 0.480 81 HG2 GLN 11 2HG GLN 11 -11.767 -21.075 0.617 82 HG3 GLN 11 3HG GLN 11 -10.998 -22.516 -0.045 83 HE21 GLN 11 1HE2 GLN 11 -9.132 -23.300 1.463 84 HE22 GLN 11 2HE2 GLN 11 -9.572 -23.457 3.126 85 HA PRO 12 HA PRO 12 -6.781 -23.795 -2.804 86 HB2 PRO 12 2HB PRO 12 -4.565 -23.754 -1.235 87 HB3 PRO 12 3HB PRO 12 -4.797 -22.655 -2.599 88 HG2 PRO 12 2HG PRO 12 -5.228 -22.165 0.322 89 HG3 PRO 12 3HG PRO 12 -4.469 -21.114 -0.888 90 HD2 PRO 12 2HD PRO 12 -7.021 -20.767 -0.052 91 HD3 PRO 12 3HD PRO 12 -6.496 -20.378 -1.703 92 H TYR 13 H TYR 13 -8.311 -25.326 -2.035 93 HA TYR 13 HA TYR 13 -9.129 -27.007 -0.723 94 HB2 TYR 13 2HB TYR 13 -7.359 -28.363 -1.217 95 HB3 TYR 13 3HB TYR 13 -6.169 -27.207 -0.630 96 HD1 TYR 13 HD1 TYR 13 -5.482 -27.199 1.690 97 HD2 TYR 13 HD2 TYR 13 -8.431 -29.937 0.310 98 HE1 TYR 13 HE1 TYR 13 -5.240 -28.496 3.766 99 HE2 TYR 13 HE2 TYR 13 -8.198 -31.242 2.382 100 HH TYR 13 HH TYR 13 -6.828 -30.134 5.109 Start of MODEL 39 1 H1 LEU 1 H LEU 1 -5.467 -0.285 -6.636 2 HA LEU 1 HA LEU 1 -4.786 -1.690 -8.367 3 HB2 LEU 1 2HB LEU 1 -5.807 -0.029 -9.965 4 HB3 LEU 1 3HB LEU 1 -4.242 0.782 -9.996 5 HG LEU 1 HG LEU 1 -3.217 -1.213 -10.958 6 HD11 LEU 1 1HD1 LEU 1 -4.215 -3.151 -10.456 7 HD12 LEU 1 2HD1 LEU 1 -5.243 -2.809 -11.847 8 HD13 LEU 1 3HD1 LEU 1 -5.790 -2.392 -10.223 9 HD21 LEU 1 1HD2 LEU 1 -4.880 0.572 -12.225 10 HD22 LEU 1 2HD2 LEU 1 -5.469 -0.991 -12.793 11 HD23 LEU 1 3HD2 LEU 1 -3.775 -0.552 -13.016 12 H GLY 2 H GLY 2 -3.145 -1.948 -6.700 13 HA2 GLY 2 2HA GLY 2 -0.530 -1.668 -7.727 14 HA3 GLY 2 3HA GLY 2 -0.808 -0.427 -6.514 15 H GLN 3 H GLN 3 -1.083 -1.019 -4.347 16 HA GLN 3 HA GLN 3 0.502 -2.934 -3.288 17 HB2 GLN 3 2HB GLN 3 -2.170 -2.134 -2.123 18 HB3 GLN 3 3HB GLN 3 -0.807 -2.805 -1.238 19 HG2 GLN 3 2HG GLN 3 0.515 -0.826 -1.753 20 HG3 GLN 3 3HG GLN 3 -0.837 -0.155 -2.664 21 HE21 GLN 3 1HE2 GLN 3 -0.197 -1.549 0.539 22 HE22 GLN 3 2HE2 GLN 3 -1.113 -0.379 1.419 23 H GLN 4 H GLN 4 0.612 -5.050 -3.588 24 HA GLN 4 HA GLN 4 -1.270 -6.651 -4.815 25 HB2 GLN 4 2HB GLN 4 -0.046 -8.568 -3.639 26 HB3 GLN 4 3HB GLN 4 0.910 -7.513 -4.672 27 HG2 GLN 4 2HG GLN 4 0.824 -6.589 -1.923 28 HG3 GLN 4 3HG GLN 4 1.480 -8.219 -2.073 29 HE21 GLN 4 1HE2 GLN 4 2.381 -5.154 -1.845 30 HE22 GLN 4 2HE2 GLN 4 3.834 -5.167 -2.780 31 H GLN 5 H GLN 5 -3.186 -7.411 -4.229 32 HA GLN 5 HA GLN 5 -3.947 -7.284 -1.403 33 HB2 GLN 5 2HB GLN 5 -5.440 -6.113 -2.893 34 HB3 GLN 5 3HB GLN 5 -5.601 -7.533 -3.918 35 HG2 GLN 5 2HG GLN 5 -6.628 -8.711 -1.959 36 HG3 GLN 5 3HG GLN 5 -6.648 -7.157 -1.127 37 HE21 GLN 5 1HE2 GLN 5 -8.623 -6.376 -1.122 38 HE22 GLN 5 2HE2 GLN 5 -9.728 -6.383 -2.450 39 HA PRO 6 HA PRO 6 -3.679 -11.669 -1.001 40 HB2 PRO 6 2HB PRO 6 -5.196 -11.941 1.234 41 HB3 PRO 6 3HB PRO 6 -3.551 -11.293 1.262 42 HG2 PRO 6 2HG PRO 6 -6.164 -9.832 1.299 43 HG3 PRO 6 3HG PRO 6 -4.700 -9.529 2.251 44 HD2 PRO 6 2HD PRO 6 -5.339 -8.074 0.059 45 HD3 PRO 6 3HD PRO 6 -3.659 -8.408 0.527 46 H PHE 7 H PHE 7 -4.853 -12.280 -2.870 47 HA PHE 7 HA PHE 7 -7.360 -13.542 -2.305 48 HB2 PHE 7 2HB PHE 7 -8.214 -11.309 -2.729 49 HB3 PHE 7 3HB PHE 7 -7.306 -11.213 -4.234 50 HD1 PHE 7 HD1 PHE 7 -9.671 -13.642 -2.664 51 HD2 PHE 7 HD2 PHE 7 -8.597 -11.388 -6.111 52 HE1 PHE 7 HE1 PHE 7 -11.593 -14.586 -3.877 53 HE2 PHE 7 HE2 PHE 7 -10.517 -12.327 -7.329 54 HZ PHE 7 HZ PHE 7 -12.019 -13.928 -6.212 55 HA PRO 8 HA PRO 8 -4.680 -15.528 -5.525 56 HB2 PRO 8 2HB PRO 8 -4.775 -17.999 -4.405 57 HB3 PRO 8 3HB PRO 8 -3.589 -16.776 -3.934 58 HG2 PRO 8 2HG PRO 8 -6.151 -17.546 -2.592 59 HG3 PRO 8 3HG PRO 8 -4.568 -17.208 -1.869 60 HD2 PRO 8 2HD PRO 8 -6.575 -15.391 -1.893 61 HD3 PRO 8 3HD PRO 8 -4.864 -14.925 -1.979 62 HA PRO 9 HA PRO 9 -7.922 -17.358 -7.865 63 HB2 PRO 9 2HB PRO 9 -6.679 -19.436 -9.093 64 HB3 PRO 9 3HB PRO 9 -6.385 -17.748 -9.528 65 HG2 PRO 9 2HG PRO 9 -4.765 -19.563 -7.786 66 HG3 PRO 9 3HG PRO 9 -4.217 -18.419 -9.025 67 HD2 PRO 9 2HD PRO 9 -4.135 -17.851 -6.378 68 HD3 PRO 9 3HD PRO 9 -4.409 -16.606 -7.614 69 H GLN 10 H GLN 10 -9.225 -18.079 -6.095 70 HA GLN 10 HA GLN 10 -10.430 -19.623 -4.939 71 HB2 GLN 10 2HB GLN 10 -9.661 -20.896 -7.382 72 HB3 GLN 10 3HB GLN 10 -9.611 -22.086 -6.088 73 HG2 GLN 10 2HG GLN 10 -11.987 -20.645 -5.725 74 HG3 GLN 10 3HG GLN 10 -11.869 -20.975 -7.452 75 HE21 GLN 10 1HE2 GLN 10 -11.279 -22.654 -4.378 76 HE22 GLN 10 2HE2 GLN 10 -12.032 -24.136 -4.848 77 H GLN 11 H GLN 11 -9.519 -19.538 -2.940 78 HA GLN 11 HA GLN 11 -7.024 -20.411 -2.150 79 HB2 GLN 11 2HB GLN 11 -7.801 -20.306 0.083 80 HB3 GLN 11 3HB GLN 11 -8.715 -19.090 -0.799 81 HG2 GLN 11 2HG GLN 11 -10.432 -21.075 -1.057 82 HG3 GLN 11 3HG GLN 11 -9.617 -21.652 0.395 83 HE21 GLN 11 1HE2 GLN 11 -10.092 -20.750 2.307 84 HE22 GLN 11 2HE2 GLN 11 -11.173 -19.421 2.527 85 HA PRO 12 HA PRO 12 -7.051 -24.799 -2.220 86 HB2 PRO 12 2HB PRO 12 -5.433 -25.360 -0.114 87 HB3 PRO 12 3HB PRO 12 -4.830 -24.699 -1.638 88 HG2 PRO 12 2HG PRO 12 -5.433 -23.288 0.932 89 HG3 PRO 12 3HG PRO 12 -4.050 -23.084 -0.159 90 HD2 PRO 12 2HD PRO 12 -6.156 -21.382 -0.142 91 HD3 PRO 12 3HD PRO 12 -5.236 -21.748 -1.616 92 H TYR 13 H TYR 13 -8.968 -25.718 -1.723 93 HA TYR 13 HA TYR 13 -10.734 -26.517 -0.517 94 HB2 TYR 13 2HB TYR 13 -9.518 -28.298 0.237 95 HB3 TYR 13 3HB TYR 13 -8.273 -27.282 0.956 96 HD1 TYR 13 HD1 TYR 13 -11.699 -28.600 1.455 97 HD2 TYR 13 HD2 TYR 13 -8.320 -26.749 3.258 98 HE1 TYR 13 HE1 TYR 13 -12.684 -28.981 3.676 99 HE2 TYR 13 HE2 TYR 13 -9.294 -27.126 5.485 100 HH TYR 13 HH TYR 13 -12.552 -28.341 5.883 Start of MODEL 40 1 H1 LEU 1 H LEU 1 0.216 1.808 -2.068 2 HA LEU 1 HA LEU 1 1.894 1.714 -3.631 3 HB2 LEU 1 2HB LEU 1 3.409 0.139 -1.554 4 HB3 LEU 1 3HB LEU 1 4.066 0.733 -3.078 5 HG LEU 1 HG LEU 1 3.100 3.016 -1.851 6 HD11 LEU 1 1HD1 LEU 1 4.743 1.764 0.268 7 HD12 LEU 1 2HD1 LEU 1 3.044 1.301 0.185 8 HD13 LEU 1 3HD1 LEU 1 3.487 2.996 0.382 9 HD21 LEU 1 1HD2 LEU 1 5.228 2.593 -3.135 10 HD22 LEU 1 2HD2 LEU 1 5.918 1.982 -1.631 11 HD23 LEU 1 3HD2 LEU 1 5.377 3.658 -1.737 12 H GLY 2 H GLY 2 0.548 0.483 -4.950 13 HA2 GLY 2 2HA GLY 2 0.527 -1.370 -6.416 14 HA3 GLY 2 3HA GLY 2 1.373 -2.314 -5.198 15 H GLN 3 H GLN 3 -1.736 -1.073 -6.227 16 HA GLN 3 HA GLN 3 -3.456 -1.785 -4.268 17 HB2 GLN 3 2HB GLN 3 -3.880 -2.433 -7.189 18 HB3 GLN 3 3HB GLN 3 -5.136 -2.220 -5.977 19 HG2 GLN 3 2HG GLN 3 -4.501 0.116 -5.715 20 HG3 GLN 3 3HG GLN 3 -3.223 -0.092 -6.911 21 HE21 GLN 3 1HE2 GLN 3 -4.589 1.801 -7.724 22 HE22 GLN 3 2HE2 GLN 3 -5.832 1.400 -8.855 23 H GLN 4 H GLN 4 -3.440 -3.533 -3.018 24 HA GLN 4 HA GLN 4 -2.293 -5.983 -3.554 25 HB2 GLN 4 2HB GLN 4 -3.907 -6.854 -1.769 26 HB3 GLN 4 3HB GLN 4 -2.829 -5.542 -1.310 27 HG2 GLN 4 2HG GLN 4 -5.330 -4.548 -2.364 28 HG3 GLN 4 3HG GLN 4 -5.577 -5.629 -0.993 29 HE21 GLN 4 1HE2 GLN 4 -4.090 -5.183 0.894 30 HE22 GLN 4 2HE2 GLN 4 -3.851 -3.524 1.312 31 H GLN 5 H GLN 5 -2.843 -7.749 -4.676 32 HA GLN 5 HA GLN 5 -5.299 -7.674 -6.228 33 HB2 GLN 5 2HB GLN 5 -3.279 -8.227 -7.425 34 HB3 GLN 5 3HB GLN 5 -2.914 -9.526 -6.297 35 HG2 GLN 5 2HG GLN 5 -5.032 -10.639 -7.045 36 HG3 GLN 5 3HG GLN 5 -5.143 -9.415 -8.309 37 HE21 GLN 5 1HE2 GLN 5 -4.779 -10.573 -10.097 38 HE22 GLN 5 2HE2 GLN 5 -3.357 -11.505 -10.400 39 HA PRO 6 HA PRO 6 -7.494 -10.405 -3.547 40 HB2 PRO 6 2HB PRO 6 -9.425 -11.181 -5.290 41 HB3 PRO 6 3HB PRO 6 -9.400 -9.584 -4.534 42 HG2 PRO 6 2HG PRO 6 -8.492 -10.400 -7.268 43 HG3 PRO 6 3HG PRO 6 -9.420 -8.971 -6.777 44 HD2 PRO 6 2HD PRO 6 -6.760 -8.881 -7.280 45 HD3 PRO 6 3HD PRO 6 -7.540 -7.838 -6.073 46 H PHE 7 H PHE 7 -7.148 -12.459 -2.982 47 HA PHE 7 HA PHE 7 -5.540 -14.229 -4.323 48 HB2 PHE 7 2HB PHE 7 -6.739 -16.017 -2.913 49 HB3 PHE 7 3HB PHE 7 -5.942 -14.701 -2.057 50 HD1 PHE 7 HD1 PHE 7 -7.101 -13.574 -0.421 51 HD2 PHE 7 HD2 PHE 7 -9.270 -15.630 -3.451 52 HE1 PHE 7 HE1 PHE 7 -9.208 -13.051 0.737 53 HE2 PHE 7 HE2 PHE 7 -11.380 -15.110 -2.299 54 HZ PHE 7 HZ PHE 7 -11.352 -13.818 -0.203 55 HA PRO 8 HA PRO 8 -7.819 -16.074 -7.586 56 HB2 PRO 8 2HB PRO 8 -6.916 -18.634 -7.515 57 HB3 PRO 8 3HB PRO 8 -5.927 -17.281 -8.079 58 HG2 PRO 8 2HG PRO 8 -5.938 -18.637 -5.410 59 HG3 PRO 8 3HG PRO 8 -4.558 -18.109 -6.391 60 HD2 PRO 8 2HD PRO 8 -5.475 -16.683 -4.280 61 HD3 PRO 8 3HD PRO 8 -4.750 -15.916 -5.708 62 HA PRO 9 HA PRO 9 -11.427 -18.170 -6.202 63 HB2 PRO 9 2HB PRO 9 -11.979 -19.845 -8.266 64 HB3 PRO 9 3HB PRO 9 -12.198 -18.094 -8.365 65 HG2 PRO 9 2HG PRO 9 -9.937 -19.780 -9.369 66 HG3 PRO 9 3HG PRO 9 -10.760 -18.425 -10.163 67 HD2 PRO 9 2HD PRO 9 -8.366 -18.153 -8.927 68 HD3 PRO 9 3HD PRO 9 -9.565 -16.845 -8.985 69 H GLN 10 H GLN 10 -12.102 -19.973 -5.102 70 HA GLN 10 HA GLN 10 -11.973 -21.958 -4.001 71 HB2 GLN 10 2HB GLN 10 -11.866 -22.692 -6.503 72 HB3 GLN 10 3HB GLN 10 -10.180 -23.043 -6.145 73 HG2 GLN 10 2HG GLN 10 -10.749 -24.679 -4.554 74 HG3 GLN 10 3HG GLN 10 -12.432 -24.155 -4.506 75 HE21 GLN 10 1HE2 GLN 10 -10.024 -25.341 -6.826 76 HE22 GLN 10 2HE2 GLN 10 -11.110 -26.371 -7.688 77 H GLN 11 H GLN 11 -10.822 -21.469 -2.200 78 HA GLN 11 HA GLN 11 -7.935 -21.249 -2.302 79 HB2 GLN 11 2HB GLN 11 -10.033 -20.438 -0.496 80 HB3 GLN 11 3HB GLN 11 -8.775 -21.300 0.380 81 HG2 GLN 11 2HG GLN 11 -7.440 -19.541 0.309 82 HG3 GLN 11 3HG GLN 11 -7.590 -19.437 -1.444 83 HE21 GLN 11 1HE2 GLN 11 -10.103 -18.750 -1.901 84 HE22 GLN 11 2HE2 GLN 11 -10.498 -17.242 -1.156 85 HA PRO 12 HA PRO 12 -6.925 -25.367 -1.176 86 HB2 PRO 12 2HB PRO 12 -4.743 -24.976 0.391 87 HB3 PRO 12 3HB PRO 12 -4.719 -24.754 -1.363 88 HG2 PRO 12 2HG PRO 12 -4.970 -22.702 0.802 89 HG3 PRO 12 3HG PRO 12 -3.996 -22.653 -0.679 90 HD2 PRO 12 2HD PRO 12 -6.371 -21.371 -0.453 91 HD3 PRO 12 3HD PRO 12 -5.792 -22.047 -1.990 92 H TYR 13 H TYR 13 -7.181 -26.889 0.440 93 HA TYR 13 HA TYR 13 -8.178 -27.751 2.305 94 HB2 TYR 13 2HB TYR 13 -6.258 -27.546 3.525 95 HB3 TYR 13 3HB TYR 13 -6.134 -25.813 3.242 96 HD1 TYR 13 HD1 TYR 13 -7.223 -24.230 4.717 97 HD2 TYR 13 HD2 TYR 13 -7.593 -28.418 5.369 98 HE1 TYR 13 HE1 TYR 13 -8.098 -23.795 6.974 99 HE2 TYR 13 HE2 TYR 13 -8.470 -27.994 7.628 100 HH TYR 13 HH TYR 13 -8.526 -24.768 9.002
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