NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
618876 | 5y0h | 36105 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 -15.144 3.881 -2.181 2 H2 GLY 1 HT2 GLY 1 -16.256 2.621 -2.004 3 H3 GLY 1 HT3 GLY 1 -16.156 3.463 -3.467 4 HA2 GLY 1 HA1 GLY 1 -15.089 1.277 -3.597 5 HA3 GLY 1 HA2 GLY 1 -13.984 2.608 -3.911 6 H PHE 2 HN PHE 2 -12.410 0.846 -3.358 7 HA PHE 2 HA PHE 2 -11.883 0.961 -0.471 8 HB2 PHE 2 HB2 PHE 2 -11.009 -1.317 -0.514 9 HB3 PHE 2 HB1 PHE 2 -12.687 -1.296 -1.029 10 HD1 PHE 2 HD1 PHE 2 -13.134 -1.321 -3.557 11 HD2 PHE 2 HD2 PHE 2 -9.395 -2.368 -1.816 12 HE1 PHE 2 HE1 PHE 2 -12.529 -2.543 -5.605 13 HE2 PHE 2 HE2 PHE 2 -8.782 -3.593 -3.859 14 HZ PHE 2 HZ PHE 2 -10.337 -3.707 -5.736 15 H ALA 3 HN ALA 3 -10.978 2.713 -2.448 16 HA ALA 3 HA ALA 3 -8.333 1.899 -3.259 17 HB1 ALA 3 HB1 ALA 3 -9.720 4.564 -3.534 18 HB2 ALA 3 HB2 ALA 3 -9.691 3.278 -4.741 19 HB3 ALA 3 HB3 ALA 3 -8.198 4.107 -4.298 20 H TRP 4 HN TRP 4 -7.421 1.529 -1.178 21 HA TRP 4 HA TRP 4 -6.417 4.034 -0.016 22 HB2 TRP 4 HB2 TRP 4 -5.747 2.182 1.854 23 HB3 TRP 4 HB1 TRP 4 -7.191 3.181 1.927 24 HD1 TRP 4 HD1 TRP 4 -6.210 -0.315 0.530 25 HE1 TRP 4 HE1 TRP 4 -8.222 -1.886 0.899 26 HE3 TRP 4 HE3 TRP 4 -9.464 3.034 2.566 27 HZ2 TRP 4 HZ2 TRP 4 -10.852 -1.708 1.941 28 HZ3 TRP 4 HZ3 TRP 4 -11.706 2.263 3.235 29 HH2 TRP 4 HH2 TRP 4 -12.383 -0.062 2.926 30 H ASN 5 HN ASN 5 -4.413 4.450 -0.544 31 HA ASN 5 HA ASN 5 -2.839 2.384 -1.820 32 HB2 ASN 5 HB2 ASN 5 -2.390 5.354 -1.460 33 HB3 ASN 5 HB1 ASN 5 -1.231 4.291 -2.249 34 HD21 ASN 5 HD21 ASN 5 -4.341 5.820 -2.479 35 HD22 ASN 5 HD22 ASN 5 -4.590 5.505 -4.162 36 H VAL 6 HN VAL 6 -1.867 1.057 -0.505 37 HA VAL 6 HA VAL 6 -0.638 1.995 1.962 38 HB VAL 6 HB VAL 6 -0.865 -0.796 0.806 39 HG11 VAL 6 HG11 VAL 6 1.080 -0.614 2.255 40 HG12 VAL 6 HG12 VAL 6 -0.182 -1.564 3.041 41 HG13 VAL 6 HG13 VAL 6 0.089 0.108 3.524 42 HG21 VAL 6 HG21 VAL 6 -2.409 0.548 3.019 43 HG22 VAL 6 HG22 VAL 6 -2.547 -1.148 2.557 44 HG23 VAL 6 HG23 VAL 6 -3.026 0.117 1.425 45 H CYS 7 HN CYS 7 1.175 3.089 1.456 46 HA CYS 7 HA CYS 7 3.074 1.949 -0.447 47 HB2 CYS 7 HB2 CYS 7 3.269 4.557 1.059 48 HB3 CYS 7 HB1 CYS 7 4.230 4.062 -0.325 49 H VAL 8 HN VAL 8 4.803 0.840 0.165 50 HA VAL 8 HA VAL 8 5.730 1.093 2.946 51 HB VAL 8 HB VAL 8 6.114 -1.391 2.988 52 HG11 VAL 8 HG11 VAL 8 3.785 -1.939 3.549 53 HG12 VAL 8 HG12 VAL 8 3.262 -0.436 2.789 54 HG13 VAL 8 HG13 VAL 8 4.290 -0.388 4.222 55 HG21 VAL 8 HG21 VAL 8 4.278 -1.344 0.596 56 HG22 VAL 8 HG22 VAL 8 4.773 -2.786 1.479 57 HG23 VAL 8 HG23 VAL 8 5.971 -1.835 0.599 58 H TYR 9 HN TYR 9 7.914 0.385 3.284 59 HA TYR 9 HA TYR 9 9.547 0.941 0.942 60 HB2 TYR 9 HB2 TYR 9 10.255 0.760 3.876 61 HB3 TYR 9 HB1 TYR 9 11.373 1.198 2.594 62 HD1 TYR 9 HD1 TYR 9 11.197 3.361 1.467 63 HD2 TYR 9 HD2 TYR 9 8.570 2.319 4.647 64 HE1 TYR 9 HE1 TYR 9 10.517 5.714 1.671 65 HE2 TYR 9 HE2 TYR 9 7.884 4.671 4.860 66 HH TYR 9 HH TYR 9 8.668 6.876 4.320 67 H ARG 10 HN ARG 10 9.968 -0.801 -0.244 68 HA ARG 10 HA ARG 10 10.543 -3.332 1.156 69 HB2 ARG 10 HB2 ARG 10 8.535 -3.312 -0.329 70 HB3 ARG 10 HB1 ARG 10 9.593 -2.944 -1.684 71 HG2 ARG 10 HG2 ARG 10 10.795 -5.070 -1.260 72 HG3 ARG 10 HG1 ARG 10 9.603 -5.446 -0.011 73 HD2 ARG 10 HD2 ARG 10 8.984 -6.553 -2.058 74 HD3 ARG 10 HD1 ARG 10 7.825 -5.269 -1.715 75 HE ARG 10 HE ARG 10 10.044 -4.721 -3.548 76 HH11 ARG 10 HH11 ARG 10 6.616 -5.248 -3.062 77 HH12 ARG 10 HH12 ARG 10 6.177 -4.608 -4.612 78 HH21 ARG 10 HH21 ARG 10 9.465 -3.877 -5.572 79 HH22 ARG 10 HH22 ARG 10 7.795 -3.812 -6.034 80 H ASN 11 HN ASN 11 12.689 -3.458 1.343 81 HA ASN 11 HA ASN 11 14.884 -3.666 0.791 82 HB2 ASN 11 HB2 ASN 11 13.698 -3.962 -1.969 83 HB3 ASN 11 HB1 ASN 11 15.430 -4.045 -1.682 84 HD21 ASN 11 HD21 ASN 11 13.081 -5.282 0.600 85 HD22 ASN 11 HD22 ASN 11 13.443 -6.954 0.350 86 H GLY 12 HN GLY 12 13.577 -1.050 0.947 87 HA2 GLY 12 HA2 GLY 12 14.968 0.923 1.072 88 HA3 GLY 12 HA1 GLY 12 15.686 0.451 -0.458 89 H VAL 13 HN VAL 13 12.996 -0.209 -1.597 90 HA VAL 13 HA VAL 13 12.421 2.562 -2.344 91 HB VAL 13 HB VAL 13 13.050 1.119 -4.172 92 HG11 VAL 13 HG11 VAL 13 10.655 -0.551 -3.448 93 HG12 VAL 13 HG12 VAL 13 12.349 -1.032 -3.331 94 HG13 VAL 13 HG13 VAL 13 11.623 -0.739 -4.911 95 HG21 VAL 13 HG21 VAL 13 11.501 2.917 -4.655 96 HG22 VAL 13 HG22 VAL 13 10.137 1.862 -4.283 97 HG23 VAL 13 HG23 VAL 13 11.161 1.522 -5.678 98 H ARG 14 HN ARG 14 10.552 3.513 -2.016 99 HA ARG 14 HA ARG 14 8.511 2.194 -0.480 100 HB2 ARG 14 HB2 ARG 14 9.132 4.514 -0.025 101 HB3 ARG 14 HB1 ARG 14 8.658 4.972 -1.654 102 HG2 ARG 14 HG2 ARG 14 6.352 4.390 -1.162 103 HG3 ARG 14 HG1 ARG 14 6.819 3.892 0.469 104 HD2 ARG 14 HD2 ARG 14 5.932 6.108 0.586 105 HD3 ARG 14 HD1 ARG 14 7.674 6.179 0.854 106 HE ARG 14 HE ARG 14 7.304 6.603 -1.843 107 HH11 ARG 14 HH11 ARG 14 6.271 8.138 1.122 108 HH12 ARG 14 HH12 ARG 14 6.288 9.738 0.451 109 HH21 ARG 14 HH21 ARG 14 7.300 8.704 -2.742 110 HH22 ARG 14 HH22 ARG 14 6.866 10.057 -1.750 111 H VAL 15 HN VAL 15 7.116 0.913 -1.442 112 HA VAL 15 HA VAL 15 6.226 1.570 -4.166 113 HB VAL 15 HB VAL 15 7.307 -0.617 -3.932 114 HG11 VAL 15 HG11 VAL 15 6.770 -1.117 -1.626 115 HG12 VAL 15 HG12 VAL 15 6.247 -2.429 -2.684 116 HG13 VAL 15 HG13 VAL 15 5.063 -1.288 -2.044 117 HG21 VAL 15 HG21 VAL 15 5.564 -1.972 -4.992 118 HG22 VAL 15 HG22 VAL 15 5.604 -0.332 -5.638 119 HG23 VAL 15 HG23 VAL 15 4.353 -0.796 -4.485 120 H CYS 16 HN CYS 16 4.143 2.021 -4.547 121 HA CYS 16 HA CYS 16 2.296 1.891 -2.271 122 HB2 CYS 16 HB2 CYS 16 2.201 3.603 -4.757 123 HB3 CYS 16 HB1 CYS 16 0.979 3.601 -3.492 124 H HIS 17 HN HIS 17 0.471 0.758 -2.375 125 HA HIS 17 HA HIS 17 -0.514 -0.233 -4.922 126 HB2 HIS 17 HB2 HIS 17 -0.692 -2.563 -4.008 127 HB3 HIS 17 HB1 HIS 17 0.940 -2.038 -4.360 128 HD1 HIS 17 HD1 HIS 17 2.591 -2.461 -2.548 129 HD2 HIS 17 HD2 HIS 17 -1.305 -2.359 -1.112 130 HE1 HIS 17 HE1 HIS 17 2.755 -3.043 -0.112 131 HE2 HIS 17 HE2 HIS 17 0.366 -3.200 0.667 132 H ARG 18 HN ARG 18 -2.622 -1.278 -4.699 133 HA ARG 18 HA ARG 18 -4.159 0.080 -2.598 134 HB2 ARG 18 HB2 ARG 18 -5.068 -1.240 -5.167 135 HB3 ARG 18 HB1 ARG 18 -6.158 -0.544 -3.978 136 HG2 ARG 18 HG2 ARG 18 -5.959 1.081 -5.642 137 HG3 ARG 18 HG1 ARG 18 -4.907 1.642 -4.343 138 HD2 ARG 18 HD2 ARG 18 -2.968 0.731 -5.522 139 HD3 ARG 18 HD1 ARG 18 -4.020 0.161 -6.813 140 HE ARG 18 HE ARG 18 -4.344 2.947 -6.419 141 HH11 ARG 18 HH11 ARG 18 -2.161 0.586 -7.800 142 HH12 ARG 18 HH12 ARG 18 -1.461 1.702 -8.929 143 HH21 ARG 18 HH21 ARG 18 -3.426 4.420 -7.925 144 HH22 ARG 18 HH22 ARG 18 -2.181 3.873 -9.002 145 H ARG 19 HN ARG 19 -4.597 -1.054 -0.836 146 HA ARG 19 HA ARG 19 -4.167 -3.855 -0.676 147 HB2 ARG 19 HB2 ARG 19 -3.964 -2.368 1.285 148 HB3 ARG 19 HB1 ARG 19 -5.698 -2.096 1.229 149 HG2 ARG 19 HG2 ARG 19 -6.060 -4.508 1.604 150 HG3 ARG 19 HG1 ARG 19 -4.317 -4.707 1.780 151 HD2 ARG 19 HD2 ARG 19 -4.305 -3.232 3.693 152 HD3 ARG 19 HD1 ARG 19 -6.024 -2.900 3.486 153 HE ARG 19 HE ARG 19 -5.310 -5.686 3.882 154 HH11 ARG 19 HH11 ARG 19 -6.384 -2.696 5.342 155 HH12 ARG 19 HH12 ARG 19 -7.050 -3.468 6.744 156 HH21 ARG 19 HH21 ARG 19 -6.173 -6.709 5.734 157 HH22 ARG 19 HH22 ARG 19 -6.929 -5.755 6.970 158 H ALA 20 HN ALA 20 -5.378 -5.308 -1.600 159 HA ALA 20 HA ALA 20 -8.239 -4.826 -1.973 160 HB1 ALA 20 HB1 ALA 20 -6.468 -6.936 -3.206 161 HB2 ALA 20 HB2 ALA 20 -6.936 -5.415 -3.966 162 HB3 ALA 20 HB3 ALA 20 -8.159 -6.633 -3.605 163 H ASN 21 HN ASN 21 -8.600 -5.207 0.312 164 HA ASN 21 HA ASN 21 -8.279 -7.964 1.213 165 HB2 ASN 21 HB2 ASN 21 -7.684 -6.129 2.763 166 HB3 ASN 21 HB1 ASN 21 -9.345 -5.549 2.699 167 HD21 ASN 21 HD21 ASN 21 -10.937 -6.646 3.801 168 HD22 ASN 21 HD22 ASN 21 -10.592 -7.881 4.961 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 -15.511 3.874 0.738 2 H2 GLY 1 HT2 GLY 1 -16.359 3.909 -0.721 3 H3 GLY 1 HT3 GLY 1 -14.711 4.289 -0.692 4 HA2 GLY 1 HA1 GLY 1 -15.890 1.639 -0.086 5 HA3 GLY 1 HA2 GLY 1 -15.057 2.074 -1.571 6 H PHE 2 HN PHE 2 -13.892 0.047 -0.654 7 HA PHE 2 HA PHE 2 -11.921 0.749 1.373 8 HB2 PHE 2 HB2 PHE 2 -11.249 -1.693 1.119 9 HB3 PHE 2 HB1 PHE 2 -12.842 -1.380 1.802 10 HD1 PHE 2 HD1 PHE 2 -14.859 -1.903 0.538 11 HD2 PHE 2 HD2 PHE 2 -10.994 -2.705 -1.049 12 HE1 PHE 2 HE1 PHE 2 -15.865 -3.350 -1.175 13 HE2 PHE 2 HE2 PHE 2 -11.996 -4.154 -2.763 14 HZ PHE 2 HZ PHE 2 -14.452 -4.489 -2.806 15 H ALA 3 HN ALA 3 -11.750 2.047 -1.120 16 HA ALA 3 HA ALA 3 -9.437 0.840 -2.410 17 HB1 ALA 3 HB1 ALA 3 -11.091 1.852 -3.866 18 HB2 ALA 3 HB2 ALA 3 -9.569 2.742 -3.961 19 HB3 ALA 3 HB3 ALA 3 -10.913 3.393 -3.026 20 H TRP 4 HN TRP 4 -7.976 0.962 -0.695 21 HA TRP 4 HA TRP 4 -6.945 3.671 -0.281 22 HB2 TRP 4 HB2 TRP 4 -5.868 2.387 1.801 23 HB3 TRP 4 HB1 TRP 4 -7.402 3.235 1.888 24 HD1 TRP 4 HD1 TRP 4 -6.212 -0.405 1.166 25 HE1 TRP 4 HE1 TRP 4 -7.889 -2.005 2.270 26 HE3 TRP 4 HE3 TRP 4 -9.508 3.045 2.940 27 HZ2 TRP 4 HZ2 TRP 4 -10.316 -1.814 3.720 28 HZ3 TRP 4 HZ3 TRP 4 -11.491 2.262 4.179 29 HH2 TRP 4 HH2 TRP 4 -11.884 -0.117 4.556 30 H ASN 5 HN ASN 5 -4.991 4.024 -1.069 31 HA ASN 5 HA ASN 5 -3.413 1.808 -2.042 32 HB2 ASN 5 HB2 ASN 5 -1.863 3.511 -2.892 33 HB3 ASN 5 HB1 ASN 5 -3.514 3.865 -3.380 34 HD21 ASN 5 HD21 ASN 5 -4.515 5.692 -2.619 35 HD22 ASN 5 HD22 ASN 5 -3.681 6.923 -1.733 36 H VAL 6 HN VAL 6 -1.479 1.114 -1.236 37 HA VAL 6 HA VAL 6 -0.674 2.232 1.354 38 HB VAL 6 HB VAL 6 -1.788 0.238 1.960 39 HG11 VAL 6 HG11 VAL 6 -1.397 -1.930 0.930 40 HG12 VAL 6 HG12 VAL 6 -0.291 -1.180 -0.223 41 HG13 VAL 6 HG13 VAL 6 -2.003 -0.753 -0.235 42 HG21 VAL 6 HG21 VAL 6 -0.028 -1.206 2.839 43 HG22 VAL 6 HG22 VAL 6 0.377 0.498 3.052 44 HG23 VAL 6 HG23 VAL 6 1.141 -0.437 1.765 45 H CYS 7 HN CYS 7 1.275 3.011 1.220 46 HA CYS 7 HA CYS 7 3.186 1.889 -0.692 47 HB2 CYS 7 HB2 CYS 7 3.463 4.375 0.998 48 HB3 CYS 7 HB1 CYS 7 4.475 3.903 -0.359 49 H VAL 8 HN VAL 8 4.854 0.676 -0.057 50 HA VAL 8 HA VAL 8 5.585 0.752 2.794 51 HB VAL 8 HB VAL 8 6.111 -1.708 2.640 52 HG11 VAL 8 HG11 VAL 8 3.227 -0.883 2.343 53 HG12 VAL 8 HG12 VAL 8 4.164 -0.907 3.837 54 HG13 VAL 8 HG13 VAL 8 3.790 -2.417 3.006 55 HG21 VAL 8 HG21 VAL 8 6.124 -1.925 0.209 56 HG22 VAL 8 HG22 VAL 8 4.402 -1.544 0.160 57 HG23 VAL 8 HG23 VAL 8 4.957 -3.027 0.938 58 H TYR 9 HN TYR 9 7.746 0.262 3.262 59 HA TYR 9 HA TYR 9 9.533 0.809 1.010 60 HB2 TYR 9 HB2 TYR 9 9.826 1.221 3.987 61 HB3 TYR 9 HB1 TYR 9 11.175 1.368 2.871 62 HD1 TYR 9 HD1 TYR 9 11.605 3.415 1.838 63 HD2 TYR 9 HD2 TYR 9 7.752 2.700 3.492 64 HE1 TYR 9 HE1 TYR 9 10.978 5.748 1.378 65 HE2 TYR 9 HE2 TYR 9 7.116 5.029 3.039 66 HH TYR 9 HH TYR 9 9.143 7.160 1.159 67 H ARG 10 HN ARG 10 10.253 -0.995 0.141 68 HA ARG 10 HA ARG 10 11.178 -3.135 1.941 69 HB2 ARG 10 HB2 ARG 10 9.770 -3.382 -0.721 70 HB3 ARG 10 HB1 ARG 10 10.611 -4.718 0.055 71 HG2 ARG 10 HG2 ARG 10 9.118 -4.505 1.995 72 HG3 ARG 10 HG1 ARG 10 8.254 -3.210 1.167 73 HD2 ARG 10 HD2 ARG 10 7.513 -4.694 -0.544 74 HD3 ARG 10 HD1 ARG 10 8.570 -5.982 0.034 75 HE ARG 10 HE ARG 10 6.985 -5.473 2.169 76 HH11 ARG 10 HH11 ARG 10 6.304 -6.200 -1.188 77 HH12 ARG 10 HH12 ARG 10 4.812 -7.009 -0.840 78 HH21 ARG 10 HH21 ARG 10 5.036 -6.553 2.630 79 HH22 ARG 10 HH22 ARG 10 4.085 -7.207 1.335 80 H ASN 11 HN ASN 11 13.245 -3.544 1.781 81 HA ASN 11 HA ASN 11 15.401 -3.563 1.083 82 HB2 ASN 11 HB2 ASN 11 14.184 -3.605 -1.691 83 HB3 ASN 11 HB1 ASN 11 15.863 -3.966 -1.307 84 HD21 ASN 11 HD21 ASN 11 12.600 -5.094 -1.231 85 HD22 ASN 11 HD22 ASN 11 12.949 -6.729 -0.795 86 H GLY 12 HN GLY 12 13.951 -1.027 1.465 87 HA2 GLY 12 HA2 GLY 12 14.954 1.096 1.604 88 HA3 GLY 12 HA1 GLY 12 16.014 0.661 0.277 89 H VAL 13 HN VAL 13 13.317 -0.295 -1.071 90 HA VAL 13 HA VAL 13 12.904 2.346 -2.276 91 HB VAL 13 HB VAL 13 13.567 0.429 -3.742 92 HG11 VAL 13 HG11 VAL 13 12.291 -1.351 -2.710 93 HG12 VAL 13 HG12 VAL 13 11.861 -1.191 -4.414 94 HG13 VAL 13 HG13 VAL 13 10.784 -0.558 -3.169 95 HG21 VAL 13 HG21 VAL 13 10.935 1.748 -4.363 96 HG22 VAL 13 HG22 VAL 13 11.990 0.965 -5.540 97 HG23 VAL 13 HG23 VAL 13 12.541 2.405 -4.683 98 H ARG 14 HN ARG 14 10.882 3.208 -2.614 99 HA ARG 14 HA ARG 14 8.829 2.266 -0.757 100 HB2 ARG 14 HB2 ARG 14 9.372 4.585 -0.490 101 HB3 ARG 14 HB1 ARG 14 9.229 4.880 -2.216 102 HG2 ARG 14 HG2 ARG 14 6.820 4.421 -2.080 103 HG3 ARG 14 HG1 ARG 14 6.980 4.190 -0.337 104 HD2 ARG 14 HD2 ARG 14 7.685 6.472 -0.052 105 HD3 ARG 14 HD1 ARG 14 7.724 6.720 -1.796 106 HE ARG 14 HE ARG 14 5.298 6.462 -1.785 107 HH11 ARG 14 HH11 ARG 14 6.863 7.144 1.283 108 HH12 ARG 14 HH12 ARG 14 5.434 7.819 1.995 109 HH21 ARG 14 HH21 ARG 14 3.426 7.349 -0.846 110 HH22 ARG 14 HH22 ARG 14 3.478 7.933 0.787 111 H VAL 15 HN VAL 15 7.312 0.978 -1.550 112 HA VAL 15 HA VAL 15 6.508 1.378 -4.351 113 HB VAL 15 HB VAL 15 7.557 -0.776 -4.062 114 HG11 VAL 15 HG11 VAL 15 6.615 -2.515 -2.631 115 HG12 VAL 15 HG12 VAL 15 5.472 -1.342 -1.975 116 HG13 VAL 15 HG13 VAL 15 7.203 -1.137 -1.702 117 HG21 VAL 15 HG21 VAL 15 5.745 -0.637 -5.664 118 HG22 VAL 15 HG22 VAL 15 4.574 -1.016 -4.400 119 HG23 VAL 15 HG23 VAL 15 5.758 -2.225 -4.899 120 H CYS 16 HN CYS 16 4.605 2.257 -4.590 121 HA CYS 16 HA CYS 16 2.570 1.908 -2.516 122 HB2 CYS 16 HB2 CYS 16 2.621 3.780 -4.887 123 HB3 CYS 16 HB1 CYS 16 1.384 3.744 -3.637 124 H HIS 17 HN HIS 17 0.836 0.696 -2.825 125 HA HIS 17 HA HIS 17 0.060 -0.064 -5.525 126 HB2 HIS 17 HB2 HIS 17 -0.153 -2.475 -4.797 127 HB3 HIS 17 HB1 HIS 17 1.484 -1.894 -5.027 128 HD1 HIS 17 HD1 HIS 17 -0.818 -3.275 -2.484 129 HD2 HIS 17 HD2 HIS 17 2.995 -1.629 -2.620 130 HE1 HIS 17 HE1 HIS 17 0.204 -3.751 -0.239 131 HE2 HIS 17 HE2 HIS 17 2.603 -3.020 -0.473 132 H ARG 18 HN ARG 18 -2.019 -1.121 -5.595 133 HA ARG 18 HA ARG 18 -3.806 0.288 -3.799 134 HB2 ARG 18 HB2 ARG 18 -5.586 -0.536 -5.362 135 HB3 ARG 18 HB1 ARG 18 -4.349 0.459 -6.113 136 HG2 ARG 18 HG2 ARG 18 -3.275 -1.505 -7.028 137 HG3 ARG 18 HG1 ARG 18 -4.438 -2.548 -6.207 138 HD2 ARG 18 HD2 ARG 18 -6.249 -1.552 -7.497 139 HD3 ARG 18 HD1 ARG 18 -5.099 -0.488 -8.301 140 HE ARG 18 HE ARG 18 -4.107 -2.922 -8.861 141 HH11 ARG 18 HH11 ARG 18 -7.323 -1.565 -9.135 142 HH12 ARG 18 HH12 ARG 18 -7.765 -2.562 -10.484 143 HH21 ARG 18 HH21 ARG 18 -4.682 -4.228 -10.638 144 HH22 ARG 18 HH22 ARG 18 -6.260 -4.081 -11.340 145 H ARG 19 HN ARG 19 -4.311 -0.620 -1.943 146 HA ARG 19 HA ARG 19 -4.553 -3.511 -1.742 147 HB2 ARG 19 HB2 ARG 19 -3.323 -2.351 -0.006 148 HB3 ARG 19 HB1 ARG 19 -4.703 -1.325 0.335 149 HG2 ARG 19 HG2 ARG 19 -5.950 -3.225 1.158 150 HG3 ARG 19 HG1 ARG 19 -4.623 -4.310 0.733 151 HD2 ARG 19 HD2 ARG 19 -3.167 -3.191 2.311 152 HD3 ARG 19 HD1 ARG 19 -4.429 -2.022 2.685 153 HE ARG 19 HE ARG 19 -5.637 -4.307 3.336 154 HH11 ARG 19 HH11 ARG 19 -2.388 -3.209 4.024 155 HH12 ARG 19 HH12 ARG 19 -2.312 -3.976 5.578 156 HH21 ARG 19 HH21 ARG 19 -5.547 -5.323 5.388 157 HH22 ARG 19 HH22 ARG 19 -4.119 -5.168 6.360 158 H ALA 20 HN ALA 20 -6.405 -4.495 -1.935 159 HA ALA 20 HA ALA 20 -8.891 -3.222 -1.123 160 HB1 ALA 20 HB1 ALA 20 -8.641 -2.544 -3.466 161 HB2 ALA 20 HB2 ALA 20 -9.995 -3.654 -3.263 162 HB3 ALA 20 HB3 ALA 20 -8.474 -4.234 -3.938 163 H ASN 21 HN ASN 21 -7.129 -5.513 -0.401 164 HA ASN 21 HA ASN 21 -8.738 -7.829 -1.104 165 HB2 ASN 21 HB2 ASN 21 -6.959 -9.135 0.043 166 HB3 ASN 21 HB1 ASN 21 -6.354 -8.145 -1.276 167 HD21 ASN 21 HD21 ASN 21 -6.283 -8.741 2.113 168 HD22 ASN 21 HD22 ASN 21 -5.032 -7.608 2.496 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 -16.365 -0.585 -4.909 2 H2 GLY 1 HT2 GLY 1 -15.245 0.649 -5.191 3 H3 GLY 1 HT3 GLY 1 -16.475 0.868 -4.056 4 HA2 GLY 1 HA1 GLY 1 -15.552 -0.856 -2.653 5 HA3 GLY 1 HA2 GLY 1 -14.280 -1.109 -3.841 6 H PHE 2 HN PHE 2 -13.024 -0.666 -1.765 7 HA PHE 2 HA PHE 2 -12.746 2.222 -1.291 8 HB2 PHE 2 HB2 PHE 2 -11.883 -0.166 0.344 9 HB3 PHE 2 HB1 PHE 2 -11.397 1.483 0.715 10 HD1 PHE 2 HD1 PHE 2 -13.004 3.096 1.567 11 HD2 PHE 2 HD2 PHE 2 -14.138 -0.917 0.717 12 HE1 PHE 2 HE1 PHE 2 -15.075 3.410 2.857 13 HE2 PHE 2 HE2 PHE 2 -16.211 -0.609 2.002 14 HZ PHE 2 HZ PHE 2 -16.670 1.573 3.093 15 H ALA 3 HN ALA 3 -11.114 3.232 -2.224 16 HA ALA 3 HA ALA 3 -8.877 1.658 -3.253 17 HB1 ALA 3 HB1 ALA 3 -9.644 4.528 -3.777 18 HB2 ALA 3 HB2 ALA 3 -10.019 3.150 -4.813 19 HB3 ALA 3 HB3 ALA 3 -8.343 3.643 -4.573 20 H TRP 4 HN TRP 4 -7.788 1.314 -1.266 21 HA TRP 4 HA TRP 4 -6.590 3.709 -0.090 22 HB2 TRP 4 HB2 TRP 4 -5.621 1.709 1.453 23 HB3 TRP 4 HB1 TRP 4 -7.088 2.608 1.799 24 HD1 TRP 4 HD1 TRP 4 -6.296 -0.584 -0.309 25 HE1 TRP 4 HE1 TRP 4 -8.110 -2.328 0.247 26 HE3 TRP 4 HE3 TRP 4 -9.022 2.166 2.986 27 HZ2 TRP 4 HZ2 TRP 4 -10.406 -2.500 1.903 28 HZ3 TRP 4 HZ3 TRP 4 -11.014 1.150 4.031 29 HH2 TRP 4 HH2 TRP 4 -11.692 -1.137 3.494 30 H ASN 5 HN ASN 5 -4.684 4.304 -0.770 31 HA ASN 5 HA ASN 5 -2.989 2.407 -2.196 32 HB2 ASN 5 HB2 ASN 5 -2.625 5.388 -1.784 33 HB3 ASN 5 HB1 ASN 5 -1.685 4.370 -2.868 34 HD21 ASN 5 HD21 ASN 5 -4.071 2.854 -3.691 35 HD22 ASN 5 HD22 ASN 5 -4.933 3.893 -4.770 36 H VAL 6 HN VAL 6 -1.814 1.203 -0.876 37 HA VAL 6 HA VAL 6 -0.765 2.343 1.594 38 HB VAL 6 HB VAL 6 -1.012 -0.526 0.671 39 HG11 VAL 6 HG11 VAL 6 0.072 0.531 3.284 40 HG12 VAL 6 HG12 VAL 6 1.019 -0.241 2.013 41 HG13 VAL 6 HG13 VAL 6 -0.202 -1.164 2.888 42 HG21 VAL 6 HG21 VAL 6 -2.593 -0.696 2.551 43 HG22 VAL 6 HG22 VAL 6 -3.118 0.470 1.337 44 HG23 VAL 6 HG23 VAL 6 -2.402 1.032 2.847 45 H CYS 7 HN CYS 7 1.115 3.248 1.377 46 HA CYS 7 HA CYS 7 3.126 2.167 -0.443 47 HB2 CYS 7 HB2 CYS 7 3.324 4.645 1.269 48 HB3 CYS 7 HB1 CYS 7 4.318 4.223 -0.117 49 H VAL 8 HN VAL 8 4.834 1.025 0.232 50 HA VAL 8 HA VAL 8 5.550 1.111 3.082 51 HB VAL 8 HB VAL 8 5.938 -1.369 3.025 52 HG11 VAL 8 HG11 VAL 8 4.018 -0.432 4.165 53 HG12 VAL 8 HG12 VAL 8 3.595 -1.964 3.403 54 HG13 VAL 8 HG13 VAL 8 3.096 -0.443 2.662 55 HG21 VAL 8 HG21 VAL 8 5.972 -1.669 0.606 56 HG22 VAL 8 HG22 VAL 8 4.269 -1.218 0.519 57 HG23 VAL 8 HG23 VAL 8 4.749 -2.695 1.355 58 H TYR 9 HN TYR 9 7.712 0.316 3.512 59 HA TYR 9 HA TYR 9 9.498 0.935 1.296 60 HB2 TYR 9 HB2 TYR 9 10.041 0.536 4.244 61 HB3 TYR 9 HB1 TYR 9 11.243 0.991 3.044 62 HD1 TYR 9 HD1 TYR 9 11.264 3.241 2.093 63 HD2 TYR 9 HD2 TYR 9 8.382 2.121 5.016 64 HE1 TYR 9 HE1 TYR 9 10.715 5.610 2.450 65 HE2 TYR 9 HE2 TYR 9 7.826 4.488 5.378 66 HH TYR 9 HH TYR 9 8.721 6.667 5.063 67 H ARG 10 HN ARG 10 9.698 -0.818 0.043 68 HA ARG 10 HA ARG 10 10.512 -3.322 1.359 69 HB2 ARG 10 HB2 ARG 10 8.205 -3.511 0.526 70 HB3 ARG 10 HB1 ARG 10 8.744 -3.037 -1.079 71 HG2 ARG 10 HG2 ARG 10 10.110 -5.050 -1.225 72 HG3 ARG 10 HG1 ARG 10 9.593 -5.521 0.395 73 HD2 ARG 10 HD2 ARG 10 7.278 -5.641 -0.374 74 HD3 ARG 10 HD1 ARG 10 7.786 -5.154 -1.992 75 HE ARG 10 HE ARG 10 9.295 -7.348 -1.493 76 HH11 ARG 10 HH11 ARG 10 5.854 -6.730 -1.351 77 HH12 ARG 10 HH12 ARG 10 5.415 -8.361 -1.735 78 HH21 ARG 10 HH21 ARG 10 8.730 -9.487 -2.003 79 HH22 ARG 10 HH22 ARG 10 7.057 -9.932 -2.114 80 H ASN 11 HN ASN 11 12.422 -4.040 0.716 81 HA ASN 11 HA ASN 11 14.371 -4.274 -0.428 82 HB2 ASN 11 HB2 ASN 11 12.647 -3.653 -2.838 83 HB3 ASN 11 HB1 ASN 11 14.282 -4.298 -2.898 84 HD21 ASN 11 HD21 ASN 11 11.792 -5.395 -3.910 85 HD22 ASN 11 HD22 ASN 11 11.619 -6.950 -3.172 86 H GLY 12 HN GLY 12 13.543 -1.646 0.611 87 HA2 GLY 12 HA2 GLY 12 14.735 0.326 0.807 88 HA3 GLY 12 HA1 GLY 12 15.734 -0.183 -0.544 89 H VAL 13 HN VAL 13 12.275 -0.104 -0.915 90 HA VAL 13 HA VAL 13 12.385 2.601 -2.019 91 HB VAL 13 HB VAL 13 12.725 1.039 -3.908 92 HG11 VAL 13 HG11 VAL 13 10.879 -0.356 -4.696 93 HG12 VAL 13 HG12 VAL 13 9.964 0.049 -3.244 94 HG13 VAL 13 HG13 VAL 13 11.463 -0.869 -3.114 95 HG21 VAL 13 HG21 VAL 13 11.002 1.981 -5.376 96 HG22 VAL 13 HG22 VAL 13 11.707 3.199 -4.310 97 HG23 VAL 13 HG23 VAL 13 10.111 2.533 -3.956 98 H ARG 14 HN ARG 14 10.431 3.710 -1.977 99 HA ARG 14 HA ARG 14 8.456 2.612 -0.143 100 HB2 ARG 14 HB2 ARG 14 9.311 4.927 0.157 101 HB3 ARG 14 HB1 ARG 14 8.623 5.358 -1.402 102 HG2 ARG 14 HG2 ARG 14 6.383 4.801 -0.531 103 HG3 ARG 14 HG1 ARG 14 7.109 4.479 1.043 104 HD2 ARG 14 HD2 ARG 14 7.917 6.782 1.144 105 HD3 ARG 14 HD1 ARG 14 7.208 7.101 -0.438 106 HE ARG 14 HE ARG 14 5.472 6.230 1.757 107 HH11 ARG 14 HH11 ARG 14 6.505 8.728 -0.467 108 HH12 ARG 14 HH12 ARG 14 5.128 9.741 -0.172 109 HH21 ARG 14 HH21 ARG 14 3.653 7.568 2.148 110 HH22 ARG 14 HH22 ARG 14 3.515 9.089 1.321 111 H VAL 15 HN VAL 15 7.361 1.105 -1.348 112 HA VAL 15 HA VAL 15 6.338 1.873 -3.968 113 HB VAL 15 HB VAL 15 7.451 -0.278 -3.827 114 HG11 VAL 15 HG11 VAL 15 5.318 -1.061 -1.853 115 HG12 VAL 15 HG12 VAL 15 7.032 -0.828 -1.505 116 HG13 VAL 15 HG13 VAL 15 6.516 -2.147 -2.556 117 HG21 VAL 15 HG21 VAL 15 4.483 -0.588 -4.250 118 HG22 VAL 15 HG22 VAL 15 5.729 -1.686 -4.844 119 HG23 VAL 15 HG23 VAL 15 5.651 -0.031 -5.448 120 H CYS 16 HN CYS 16 4.332 2.514 -4.287 121 HA CYS 16 HA CYS 16 2.363 2.144 -2.151 122 HB2 CYS 16 HB2 CYS 16 2.256 3.951 -4.565 123 HB3 CYS 16 HB1 CYS 16 1.087 3.912 -3.253 124 H HIS 17 HN HIS 17 0.741 0.787 -2.370 125 HA HIS 17 HA HIS 17 -0.184 -0.007 -5.004 126 HB2 HIS 17 HB2 HIS 17 -0.042 -2.427 -4.420 127 HB3 HIS 17 HB1 HIS 17 1.510 -1.662 -4.673 128 HD1 HIS 17 HD1 HIS 17 -0.409 -3.623 -2.257 129 HD2 HIS 17 HD2 HIS 17 2.974 -1.210 -2.195 130 HE1 HIS 17 HE1 HIS 17 0.762 -4.158 -0.104 131 HE2 HIS 17 HE2 HIS 17 2.924 -2.881 -0.220 132 H ARG 18 HN ARG 18 -2.121 -1.307 -4.907 133 HA ARG 18 HA ARG 18 -3.903 -0.243 -2.907 134 HB2 ARG 18 HB2 ARG 18 -4.296 -1.971 -5.335 135 HB3 ARG 18 HB1 ARG 18 -5.596 -1.731 -4.181 136 HG2 ARG 18 HG2 ARG 18 -5.931 -0.186 -5.930 137 HG3 ARG 18 HG1 ARG 18 -5.342 0.736 -4.548 138 HD2 ARG 18 HD2 ARG 18 -4.262 1.495 -6.572 139 HD3 ARG 18 HD1 ARG 18 -3.085 0.708 -5.526 140 HE ARG 18 HE ARG 18 -3.635 -1.319 -7.059 141 HH11 ARG 18 HH11 ARG 18 -3.350 2.035 -8.047 142 HH12 ARG 18 HH12 ARG 18 -2.832 1.641 -9.656 143 HH21 ARG 18 HH21 ARG 18 -2.933 -1.828 -9.159 144 HH22 ARG 18 HH22 ARG 18 -2.574 -0.557 -10.283 145 H ARG 19 HN ARG 19 -4.206 -1.146 -1.000 146 HA ARG 19 HA ARG 19 -3.381 -3.783 -0.342 147 HB2 ARG 19 HB2 ARG 19 -3.778 -1.752 1.216 148 HB3 ARG 19 HB1 ARG 19 -5.468 -2.226 1.178 149 HG2 ARG 19 HG2 ARG 19 -3.302 -4.140 1.988 150 HG3 ARG 19 HG1 ARG 19 -4.049 -3.034 3.132 151 HD2 ARG 19 HD2 ARG 19 -6.244 -4.007 2.624 152 HD3 ARG 19 HD1 ARG 19 -5.477 -5.126 1.496 153 HE ARG 19 HE ARG 19 -4.227 -5.392 3.985 154 HH11 ARG 19 HH11 ARG 19 -7.341 -6.034 2.505 155 HH12 ARG 19 HH12 ARG 19 -7.718 -7.344 3.583 156 HH21 ARG 19 HH21 ARG 19 -4.734 -7.127 5.390 157 HH22 ARG 19 HH22 ARG 19 -6.237 -7.971 5.199 158 H ALA 20 HN ALA 20 -4.436 -5.679 -0.523 159 HA ALA 20 HA ALA 20 -6.919 -5.590 -2.036 160 HB1 ALA 20 HB1 ALA 20 -6.399 -7.840 -2.712 161 HB2 ALA 20 HB2 ALA 20 -5.088 -7.930 -1.535 162 HB3 ALA 20 HB3 ALA 20 -4.964 -6.839 -2.911 163 H ASN 21 HN ASN 21 -7.015 -8.554 -0.977 164 HA ASN 21 HA ASN 21 -8.238 -8.108 1.600 165 HB2 ASN 21 HB2 ASN 21 -10.428 -9.091 0.854 166 HB3 ASN 21 HB1 ASN 21 -10.098 -7.487 0.214 167 HD21 ASN 21 HD21 ASN 21 -10.400 -10.858 -0.524 168 HD22 ASN 21 HD22 ASN 21 -10.450 -10.691 -2.243 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 -15.965 -1.738 -0.532 2 H2 GLY 1 HT2 GLY 1 -16.406 -1.592 -2.159 3 H3 GLY 1 HT3 GLY 1 -16.219 -0.210 -1.209 4 HA2 GLY 1 HA1 GLY 1 -14.057 -2.094 -1.953 5 HA3 GLY 1 HA2 GLY 1 -14.326 -0.515 -2.677 6 H PHE 2 HN PHE 2 -11.922 -1.237 -1.474 7 HA PHE 2 HA PHE 2 -11.846 0.699 0.728 8 HB2 PHE 2 HB2 PHE 2 -10.430 -1.980 0.766 9 HB3 PHE 2 HB1 PHE 2 -10.296 -0.727 1.993 10 HD1 PHE 2 HD1 PHE 2 -12.476 -0.045 3.185 11 HD2 PHE 2 HD2 PHE 2 -12.001 -3.655 0.985 12 HE1 PHE 2 HE1 PHE 2 -14.372 -1.032 4.402 13 HE2 PHE 2 HE2 PHE 2 -13.900 -4.647 2.193 14 HZ PHE 2 HZ PHE 2 -15.094 -3.329 3.892 15 H ALA 3 HN ALA 3 -11.222 1.496 -1.715 16 HA ALA 3 HA ALA 3 -8.559 0.817 -2.519 17 HB1 ALA 3 HB1 ALA 3 -10.375 3.003 -3.504 18 HB2 ALA 3 HB2 ALA 3 -10.210 1.387 -4.193 19 HB3 ALA 3 HB3 ALA 3 -8.853 2.517 -4.250 20 H TRP 4 HN TRP 4 -7.370 1.381 -0.607 21 HA TRP 4 HA TRP 4 -6.549 4.174 -0.873 22 HB2 TRP 4 HB2 TRP 4 -5.495 3.662 1.488 23 HB3 TRP 4 HB1 TRP 4 -7.135 4.259 1.329 24 HD1 TRP 4 HD1 TRP 4 -5.291 0.877 1.850 25 HE1 TRP 4 HE1 TRP 4 -6.816 -0.617 3.294 26 HE3 TRP 4 HE3 TRP 4 -9.361 3.936 2.144 27 HZ2 TRP 4 HZ2 TRP 4 -9.408 -0.501 4.414 28 HZ3 TRP 4 HZ3 TRP 4 -11.325 3.181 3.425 29 HH2 TRP 4 HH2 TRP 4 -11.345 1.006 4.537 30 H ASN 5 HN ASN 5 -4.487 4.523 -1.375 31 HA ASN 5 HA ASN 5 -2.864 2.292 -2.152 32 HB2 ASN 5 HB2 ASN 5 -2.411 5.272 -2.185 33 HB3 ASN 5 HB1 ASN 5 -1.146 4.135 -2.632 34 HD21 ASN 5 HD21 ASN 5 -4.148 5.585 -3.537 35 HD22 ASN 5 HD22 ASN 5 -4.193 4.976 -5.157 36 H VAL 6 HN VAL 6 -1.932 1.127 -0.663 37 HA VAL 6 HA VAL 6 -0.773 2.394 1.687 38 HB VAL 6 HB VAL 6 -2.099 0.596 2.392 39 HG11 VAL 6 HG11 VAL 6 -2.524 -0.425 0.240 40 HG12 VAL 6 HG12 VAL 6 -2.042 -1.648 1.416 41 HG13 VAL 6 HG13 VAL 6 -0.889 -1.084 0.206 42 HG21 VAL 6 HG21 VAL 6 -0.547 -1.075 3.279 43 HG22 VAL 6 HG22 VAL 6 0.099 0.555 3.438 44 HG23 VAL 6 HG23 VAL 6 0.698 -0.509 2.167 45 H CYS 7 HN CYS 7 1.221 2.962 1.542 46 HA CYS 7 HA CYS 7 3.009 1.635 -0.352 47 HB2 CYS 7 HB2 CYS 7 3.358 4.248 1.123 48 HB3 CYS 7 HB1 CYS 7 4.425 3.612 -0.124 49 H VAL 8 HN VAL 8 4.785 0.574 0.248 50 HA VAL 8 HA VAL 8 5.606 0.681 3.067 51 HB VAL 8 HB VAL 8 6.157 -1.767 2.922 52 HG11 VAL 8 HG11 VAL 8 4.216 -0.984 4.145 53 HG12 VAL 8 HG12 VAL 8 3.866 -2.519 3.353 54 HG13 VAL 8 HG13 VAL 8 3.248 -1.013 2.672 55 HG21 VAL 8 HG21 VAL 8 4.414 -1.637 0.461 56 HG22 VAL 8 HG22 VAL 8 4.973 -3.113 1.245 57 HG23 VAL 8 HG23 VAL 8 6.136 -2.015 0.505 58 H TYR 9 HN TYR 9 7.826 0.166 3.424 59 HA TYR 9 HA TYR 9 9.473 0.777 1.092 60 HB2 TYR 9 HB2 TYR 9 10.011 0.921 4.059 61 HB3 TYR 9 HB1 TYR 9 11.262 1.146 2.845 62 HD1 TYR 9 HD1 TYR 9 11.464 3.196 1.647 63 HD2 TYR 9 HD2 TYR 9 8.114 2.530 4.182 64 HE1 TYR 9 HE1 TYR 9 10.840 5.565 1.435 65 HE2 TYR 9 HE2 TYR 9 7.481 4.893 3.975 66 HH TYR 9 HH TYR 9 8.579 7.056 3.454 67 H ARG 10 HN ARG 10 10.642 -0.699 0.142 68 HA ARG 10 HA ARG 10 11.376 -3.155 1.575 69 HB2 ARG 10 HB2 ARG 10 9.252 -3.469 0.254 70 HB3 ARG 10 HB1 ARG 10 10.188 -3.135 -1.196 71 HG2 ARG 10 HG2 ARG 10 11.649 -5.056 -0.628 72 HG3 ARG 10 HG1 ARG 10 10.563 -5.423 0.717 73 HD2 ARG 10 HD2 ARG 10 9.847 -5.341 -2.202 74 HD3 ARG 10 HD1 ARG 10 10.011 -6.783 -1.205 75 HE ARG 10 HE ARG 10 8.114 -5.620 0.139 76 HH11 ARG 10 HH11 ARG 10 8.481 -5.703 -3.339 77 HH12 ARG 10 HH12 ARG 10 6.785 -5.527 -3.652 78 HH21 ARG 10 HH21 ARG 10 5.869 -5.395 -0.270 79 HH22 ARG 10 HH22 ARG 10 5.301 -5.346 -1.908 80 H ASN 11 HN ASN 11 13.504 -3.360 1.398 81 HA ASN 11 HA ASN 11 15.643 -3.210 0.654 82 HB2 ASN 11 HB2 ASN 11 14.330 -3.299 -2.074 83 HB3 ASN 11 HB1 ASN 11 16.057 -3.477 -1.783 84 HD21 ASN 11 HD21 ASN 11 16.806 -5.346 -0.719 85 HD22 ASN 11 HD22 ASN 11 15.855 -6.791 -0.677 86 H GLY 12 HN GLY 12 14.205 -0.798 1.255 87 HA2 GLY 12 HA2 GLY 12 15.118 1.357 1.405 88 HA3 GLY 12 HA1 GLY 12 16.087 1.025 -0.019 89 H VAL 13 HN VAL 13 13.448 0.027 -1.314 90 HA VAL 13 HA VAL 13 12.782 2.711 -2.278 91 HB VAL 13 HB VAL 13 13.561 0.989 -3.918 92 HG11 VAL 13 HG11 VAL 13 10.893 -0.281 -3.354 93 HG12 VAL 13 HG12 VAL 13 12.479 -0.976 -3.021 94 HG13 VAL 13 HG13 VAL 13 11.967 -0.705 -4.686 95 HG21 VAL 13 HG21 VAL 13 11.873 1.527 -5.624 96 HG22 VAL 13 HG22 VAL 13 12.350 2.935 -4.675 97 HG23 VAL 13 HG23 VAL 13 10.811 2.136 -4.354 98 H ARG 14 HN ARG 14 10.674 3.397 -2.543 99 HA ARG 14 HA ARG 14 8.800 2.203 -0.642 100 HB2 ARG 14 HB2 ARG 14 9.278 4.548 -0.318 101 HB3 ARG 14 HB1 ARG 14 8.898 4.902 -1.996 102 HG2 ARG 14 HG2 ARG 14 6.566 4.406 -1.618 103 HG3 ARG 14 HG1 ARG 14 6.912 3.915 0.043 104 HD2 ARG 14 HD2 ARG 14 7.582 6.136 0.629 105 HD3 ARG 14 HD1 ARG 14 7.491 6.659 -1.050 106 HE ARG 14 HE ARG 14 5.044 6.266 -0.872 107 HH11 ARG 14 HH11 ARG 14 6.932 6.835 2.029 108 HH12 ARG 14 HH12 ARG 14 5.601 7.515 2.912 109 HH21 ARG 14 HH21 ARG 14 3.308 7.178 0.274 110 HH22 ARG 14 HH22 ARG 14 3.542 7.734 1.901 111 H VAL 15 HN VAL 15 7.623 0.645 -1.604 112 HA VAL 15 HA VAL 15 6.508 1.153 -4.253 113 HB VAL 15 HB VAL 15 5.876 -1.287 -4.110 114 HG11 VAL 15 HG11 VAL 15 7.753 -0.541 -5.443 115 HG12 VAL 15 HG12 VAL 15 8.151 -2.066 -4.651 116 HG13 VAL 15 HG13 VAL 15 8.791 -0.550 -4.018 117 HG21 VAL 15 HG21 VAL 15 7.097 -2.687 -2.528 118 HG22 VAL 15 HG22 VAL 15 6.029 -1.559 -1.693 119 HG23 VAL 15 HG23 VAL 15 7.763 -1.242 -1.767 120 H CYS 16 HN CYS 16 4.330 1.204 -4.607 121 HA CYS 16 HA CYS 16 2.636 1.158 -2.197 122 HB2 CYS 16 HB2 CYS 16 2.321 2.941 -4.618 123 HB3 CYS 16 HB1 CYS 16 1.291 2.939 -3.190 124 H HIS 17 HN HIS 17 0.715 0.107 -2.300 125 HA HIS 17 HA HIS 17 -0.142 -0.897 -4.910 126 HB2 HIS 17 HB2 HIS 17 -0.838 -3.056 -3.709 127 HB3 HIS 17 HB1 HIS 17 0.854 -2.849 -4.119 128 HD1 HIS 17 HD1 HIS 17 -1.410 -3.454 -1.300 129 HD2 HIS 17 HD2 HIS 17 2.536 -2.272 -1.828 130 HE1 HIS 17 HE1 HIS 17 -0.315 -3.749 0.936 131 HE2 HIS 17 HE2 HIS 17 2.124 -3.295 0.512 132 H ARG 18 HN ARG 18 -2.347 -1.461 -5.043 133 HA ARG 18 HA ARG 18 -3.944 0.360 -3.403 134 HB2 ARG 18 HB2 ARG 18 -5.680 -0.024 -5.194 135 HB3 ARG 18 HB1 ARG 18 -4.199 0.751 -5.737 136 HG2 ARG 18 HG2 ARG 18 -3.402 -1.368 -6.630 137 HG3 ARG 18 HG1 ARG 18 -4.868 -2.166 -6.066 138 HD2 ARG 18 HD2 ARG 18 -4.992 -1.654 -8.447 139 HD3 ARG 18 HD1 ARG 18 -6.207 -0.761 -7.537 140 HE ARG 18 HE ARG 18 -4.034 0.921 -7.735 141 HH11 ARG 18 HH11 ARG 18 -6.133 -0.761 -9.965 142 HH12 ARG 18 HH12 ARG 18 -6.049 0.471 -11.180 143 HH21 ARG 18 HH21 ARG 18 -3.902 2.547 -9.326 144 HH22 ARG 18 HH22 ARG 18 -4.775 2.369 -10.814 145 H ARG 19 HN ARG 19 -5.316 -0.326 -1.915 146 HA ARG 19 HA ARG 19 -5.535 -3.150 -1.402 147 HB2 ARG 19 HB2 ARG 19 -5.234 -1.561 0.438 148 HB3 ARG 19 HB1 ARG 19 -6.749 -0.774 0.020 149 HG2 ARG 19 HG2 ARG 19 -7.086 -2.195 1.923 150 HG3 ARG 19 HG1 ARG 19 -7.944 -2.870 0.538 151 HD2 ARG 19 HD2 ARG 19 -6.840 -4.655 1.707 152 HD3 ARG 19 HD1 ARG 19 -6.037 -4.400 0.162 153 HE ARG 19 HE ARG 19 -4.892 -3.075 2.493 154 HH11 ARG 19 HH11 ARG 19 -4.758 -5.718 0.200 155 HH12 ARG 19 HH12 ARG 19 -3.107 -6.109 0.554 156 HH21 ARG 19 HH21 ARG 19 -2.711 -3.594 2.967 157 HH22 ARG 19 HH22 ARG 19 -1.951 -4.918 2.142 158 H ALA 20 HN ALA 20 -7.208 -4.462 -1.789 159 HA ALA 20 HA ALA 20 -9.202 -5.264 -2.497 160 HB1 ALA 20 HB1 ALA 20 -11.195 -4.164 -1.679 161 HB2 ALA 20 HB2 ALA 20 -10.287 -2.682 -1.383 162 HB3 ALA 20 HB3 ALA 20 -9.939 -4.131 -0.441 163 H ASN 21 HN ASN 21 -7.887 -4.381 -4.608 164 HA ASN 21 HA ASN 21 -10.000 -3.132 -6.227 165 HB2 ASN 21 HB2 ASN 21 -7.202 -2.272 -5.897 166 HB3 ASN 21 HB1 ASN 21 -7.735 -2.400 -7.568 167 HD21 ASN 21 HD21 ASN 21 -9.932 -1.609 -4.981 168 HD22 ASN 21 HD22 ASN 21 -10.174 0.043 -5.438 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 -16.409 -2.793 -2.386 2 H2 GLY 1 HT2 GLY 1 -15.996 -1.195 -2.755 3 H3 GLY 1 HT3 GLY 1 -16.437 -1.610 -1.176 4 HA2 GLY 1 HA1 GLY 1 -14.484 -3.021 -0.975 5 HA3 GLY 1 HA2 GLY 1 -14.021 -2.563 -2.607 6 H PHE 2 HN PHE 2 -12.459 -2.189 -0.253 7 HA PHE 2 HA PHE 2 -12.366 0.754 -0.149 8 HB2 PHE 2 HB2 PHE 2 -11.595 -1.249 1.983 9 HB3 PHE 2 HB1 PHE 2 -11.265 0.475 2.079 10 HD1 PHE 2 HD1 PHE 2 -13.005 2.050 2.563 11 HD2 PHE 2 HD2 PHE 2 -13.871 -2.097 2.189 12 HE1 PHE 2 HE1 PHE 2 -15.208 2.421 3.590 13 HE2 PHE 2 HE2 PHE 2 -16.076 -1.735 3.214 14 HZ PHE 2 HZ PHE 2 -16.746 0.528 3.916 15 H ALA 3 HN ALA 3 -10.870 1.145 -1.709 16 HA ALA 3 HA ALA 3 -8.396 -0.404 -1.725 17 HB1 ALA 3 HB1 ALA 3 -7.938 0.695 -3.859 18 HB2 ALA 3 HB2 ALA 3 -9.402 1.662 -3.679 19 HB3 ALA 3 HB3 ALA 3 -9.520 -0.089 -3.870 20 H TRP 4 HN TRP 4 -7.006 0.319 -0.250 21 HA TRP 4 HA TRP 4 -6.677 3.182 0.198 22 HB2 TRP 4 HB2 TRP 4 -4.842 1.193 1.438 23 HB3 TRP 4 HB1 TRP 4 -5.514 2.661 2.118 24 HD1 TRP 4 HD1 TRP 4 -6.004 -1.047 2.027 25 HE1 TRP 4 HE1 TRP 4 -8.047 -1.677 3.440 26 HE3 TRP 4 HE3 TRP 4 -7.905 3.600 2.728 27 HZ2 TRP 4 HZ2 TRP 4 -10.216 -0.352 4.699 28 HZ3 TRP 4 HZ3 TRP 4 -9.976 3.860 4.048 29 HH2 TRP 4 HH2 TRP 4 -11.104 1.919 5.012 30 H ASN 5 HN ASN 5 -5.089 4.368 -0.719 31 HA ASN 5 HA ASN 5 -3.091 3.086 -2.349 32 HB2 ASN 5 HB2 ASN 5 -2.223 5.367 -2.739 33 HB3 ASN 5 HB1 ASN 5 -3.947 5.261 -3.061 34 HD21 ASN 5 HD21 ASN 5 -5.394 6.299 -1.659 35 HD22 ASN 5 HD22 ASN 5 -4.867 7.530 -0.563 36 H VAL 6 HN VAL 6 -1.669 1.909 -1.251 37 HA VAL 6 HA VAL 6 -0.433 3.131 1.112 38 HB VAL 6 HB VAL 6 -1.809 1.489 2.061 39 HG11 VAL 6 HG11 VAL 6 -0.916 -0.450 -0.059 40 HG12 VAL 6 HG12 VAL 6 -2.485 0.355 0.019 41 HG13 VAL 6 HG13 VAL 6 -2.023 -0.800 1.269 42 HG21 VAL 6 HG21 VAL 6 0.889 0.205 1.663 43 HG22 VAL 6 HG22 VAL 6 -0.281 -0.240 2.905 44 HG23 VAL 6 HG23 VAL 6 0.456 1.364 2.921 45 H CYS 7 HN CYS 7 1.581 3.505 0.802 46 HA CYS 7 HA CYS 7 3.136 1.840 -1.037 47 HB2 CYS 7 HB2 CYS 7 3.974 4.468 0.185 48 HB3 CYS 7 HB1 CYS 7 4.656 3.665 -1.222 49 H VAL 8 HN VAL 8 4.697 0.517 -0.286 50 HA VAL 8 HA VAL 8 5.386 0.775 2.574 51 HB VAL 8 HB VAL 8 5.731 -1.704 2.586 52 HG11 VAL 8 HG11 VAL 8 3.737 -0.725 3.555 53 HG12 VAL 8 HG12 VAL 8 3.342 -2.253 2.767 54 HG13 VAL 8 HG13 VAL 8 2.945 -0.727 1.978 55 HG21 VAL 8 HG21 VAL 8 4.645 -3.038 0.845 56 HG22 VAL 8 HG22 VAL 8 5.954 -2.060 0.188 57 HG23 VAL 8 HG23 VAL 8 4.278 -1.567 -0.052 58 H TYR 9 HN TYR 9 7.502 -0.223 3.123 59 HA TYR 9 HA TYR 9 9.406 0.600 1.069 60 HB2 TYR 9 HB2 TYR 9 9.778 0.229 4.047 61 HB3 TYR 9 HB1 TYR 9 10.978 0.861 2.927 62 HD1 TYR 9 HD1 TYR 9 10.342 2.996 1.612 63 HD2 TYR 9 HD2 TYR 9 8.298 1.679 5.104 64 HE1 TYR 9 HE1 TYR 9 9.486 5.275 1.965 65 HE2 TYR 9 HE2 TYR 9 7.430 3.951 5.458 66 HH TYR 9 HH TYR 9 7.514 6.346 3.126 67 H ARG 10 HN ARG 10 9.979 -1.043 -0.155 68 HA ARG 10 HA ARG 10 10.512 -3.645 1.114 69 HB2 ARG 10 HB2 ARG 10 8.792 -3.535 -0.720 70 HB3 ARG 10 HB1 ARG 10 10.072 -3.048 -1.820 71 HG2 ARG 10 HG2 ARG 10 9.778 -5.342 -2.178 72 HG3 ARG 10 HG1 ARG 10 11.238 -5.212 -1.196 73 HD2 ARG 10 HD2 ARG 10 8.486 -5.793 -0.110 74 HD3 ARG 10 HD1 ARG 10 9.687 -7.025 -0.482 75 HE ARG 10 HE ARG 10 11.105 -5.730 1.218 76 HH11 ARG 10 HH11 ARG 10 7.627 -6.118 1.388 77 HH12 ARG 10 HH12 ARG 10 7.568 -5.963 3.114 78 HH21 ARG 10 HH21 ARG 10 11.032 -5.529 3.492 79 HH22 ARG 10 HH22 ARG 10 9.504 -5.638 4.310 80 H ASN 11 HN ASN 11 12.609 -3.594 1.703 81 HA ASN 11 HA ASN 11 14.877 -3.569 1.552 82 HB2 ASN 11 HB2 ASN 11 14.344 -3.713 -1.426 83 HB3 ASN 11 HB1 ASN 11 15.927 -3.905 -0.685 84 HD21 ASN 11 HD21 ASN 11 16.410 -5.794 0.398 85 HD22 ASN 11 HD22 ASN 11 15.420 -7.207 0.290 86 H GLY 12 HN GLY 12 13.300 -1.084 1.538 87 HA2 GLY 12 HA2 GLY 12 14.371 1.013 1.978 88 HA3 GLY 12 HA1 GLY 12 15.516 0.652 0.700 89 H VAL 13 HN VAL 13 13.066 -0.240 -0.980 90 HA VAL 13 HA VAL 13 12.629 2.476 -1.982 91 HB VAL 13 HB VAL 13 13.524 0.858 -3.583 92 HG11 VAL 13 HG11 VAL 13 12.528 -1.181 -2.739 93 HG12 VAL 13 HG12 VAL 13 12.143 -0.963 -4.447 94 HG13 VAL 13 HG13 VAL 13 10.928 -0.615 -3.218 95 HG21 VAL 13 HG21 VAL 13 12.198 2.699 -4.436 96 HG22 VAL 13 HG22 VAL 13 10.723 1.752 -4.239 97 HG23 VAL 13 HG23 VAL 13 11.941 1.256 -5.414 98 H ARG 14 HN ARG 14 10.702 3.394 -2.213 99 HA ARG 14 HA ARG 14 8.535 2.320 -0.637 100 HB2 ARG 14 HB2 ARG 14 9.256 4.717 -0.575 101 HB3 ARG 14 HB1 ARG 14 8.680 4.886 -2.226 102 HG2 ARG 14 HG2 ARG 14 6.424 4.207 -1.424 103 HG3 ARG 14 HG1 ARG 14 7.050 4.292 0.224 104 HD2 ARG 14 HD2 ARG 14 6.041 6.376 -0.142 105 HD3 ARG 14 HD1 ARG 14 7.768 6.660 -0.356 106 HE ARG 14 HE ARG 14 7.123 6.265 -2.854 107 HH11 ARG 14 HH11 ARG 14 5.311 8.023 -0.434 108 HH12 ARG 14 HH12 ARG 14 4.555 9.079 -1.583 109 HH21 ARG 14 HH21 ARG 14 6.142 7.664 -4.370 110 HH22 ARG 14 HH22 ARG 14 5.036 8.887 -3.820 111 H VAL 15 HN VAL 15 7.444 0.716 -1.670 112 HA VAL 15 HA VAL 15 6.667 1.148 -4.459 113 HB VAL 15 HB VAL 15 7.661 -1.005 -4.037 114 HG11 VAL 15 HG11 VAL 15 5.470 -1.471 -2.034 115 HG12 VAL 15 HG12 VAL 15 7.184 -1.260 -1.680 116 HG13 VAL 15 HG13 VAL 15 6.639 -2.674 -2.579 117 HG21 VAL 15 HG21 VAL 15 4.696 -1.231 -4.512 118 HG22 VAL 15 HG22 VAL 15 5.884 -2.479 -4.886 119 HG23 VAL 15 HG23 VAL 15 5.934 -0.932 -5.729 120 H CYS 16 HN CYS 16 4.765 1.960 -4.903 121 HA CYS 16 HA CYS 16 2.723 2.050 -2.830 122 HB2 CYS 16 HB2 CYS 16 2.945 3.466 -5.485 123 HB3 CYS 16 HB1 CYS 16 1.601 3.661 -4.366 124 H HIS 17 HN HIS 17 0.774 1.090 -2.967 125 HA HIS 17 HA HIS 17 -0.107 -0.106 -5.444 126 HB2 HIS 17 HB2 HIS 17 -0.491 -2.332 -4.342 127 HB3 HIS 17 HB1 HIS 17 1.183 -1.952 -4.673 128 HD1 HIS 17 HD1 HIS 17 -1.223 -2.547 -1.900 129 HD2 HIS 17 HD2 HIS 17 2.799 -1.633 -2.381 130 HE1 HIS 17 HE1 HIS 17 -0.187 -2.852 0.368 131 HE2 HIS 17 HE2 HIS 17 2.285 -2.606 -0.038 132 H ARG 18 HN ARG 18 -2.285 -0.974 -5.268 133 HA ARG 18 HA ARG 18 -3.805 0.617 -3.327 134 HB2 ARG 18 HB2 ARG 18 -5.744 0.303 -4.857 135 HB3 ARG 18 HB1 ARG 18 -4.401 1.163 -5.588 136 HG2 ARG 18 HG2 ARG 18 -3.740 -0.843 -6.790 137 HG3 ARG 18 HG1 ARG 18 -5.046 -1.747 -6.018 138 HD2 ARG 18 HD2 ARG 18 -5.702 -1.079 -8.256 139 HD3 ARG 18 HD1 ARG 18 -6.682 -0.236 -7.060 140 HE ARG 18 HE ARG 18 -4.439 1.333 -7.771 141 HH11 ARG 18 HH11 ARG 18 -7.529 0.263 -9.041 142 HH12 ARG 18 HH12 ARG 18 -7.731 1.655 -10.058 143 HH21 ARG 18 HH21 ARG 18 -4.712 3.160 -9.103 144 HH22 ARG 18 HH22 ARG 18 -6.127 3.296 -10.102 145 H ARG 19 HN ARG 19 -4.237 -0.486 -1.572 146 HA ARG 19 HA ARG 19 -4.540 -3.372 -1.649 147 HB2 ARG 19 HB2 ARG 19 -3.232 -2.260 0.134 148 HB3 ARG 19 HB1 ARG 19 -4.690 -1.449 0.677 149 HG2 ARG 19 HG2 ARG 19 -4.281 -3.296 2.117 150 HG3 ARG 19 HG1 ARG 19 -5.687 -3.683 1.129 151 HD2 ARG 19 HD2 ARG 19 -4.342 -5.067 -0.312 152 HD3 ARG 19 HD1 ARG 19 -2.877 -4.596 0.544 153 HE ARG 19 HE ARG 19 -4.481 -5.675 2.471 154 HH11 ARG 19 HH11 ARG 19 -3.226 -6.799 -0.594 155 HH12 ARG 19 HH12 ARG 19 -3.150 -8.457 -0.096 156 HH21 ARG 19 HH21 ARG 19 -4.392 -7.852 3.127 157 HH22 ARG 19 HH22 ARG 19 -3.826 -9.061 2.018 158 H ALA 20 HN ALA 20 -6.423 -4.401 -1.705 159 HA ALA 20 HA ALA 20 -8.857 -3.129 -0.751 160 HB1 ALA 20 HB1 ALA 20 -8.692 -2.391 -3.089 161 HB2 ALA 20 HB2 ALA 20 -10.069 -3.463 -2.833 162 HB3 ALA 20 HB3 ALA 20 -8.607 -4.074 -3.607 163 H ASN 21 HN ASN 21 -9.261 -4.681 0.713 164 HA ASN 21 HA ASN 21 -8.992 -7.490 0.053 165 HB2 ASN 21 HB2 ASN 21 -9.832 -6.063 2.584 166 HB3 ASN 21 HB1 ASN 21 -9.728 -7.814 2.435 167 HD21 ASN 21 HD21 ASN 21 -8.257 -5.880 4.119 168 HD22 ASN 21 HD22 ASN 21 -6.585 -6.174 3.794 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 -16.106 1.979 -2.208 2 H2 GLY 1 HT2 GLY 1 -16.365 2.499 -3.797 3 H3 GLY 1 HT3 GLY 1 -15.033 3.067 -2.927 4 HA2 GLY 1 HA1 GLY 1 -15.475 0.260 -3.765 5 HA3 GLY 1 HA2 GLY 1 -14.370 1.392 -4.533 6 H PHE 2 HN PHE 2 -12.636 -0.040 -4.086 7 HA PHE 2 HA PHE 2 -11.827 -0.013 -1.260 8 HB2 PHE 2 HB2 PHE 2 -10.483 -2.068 -1.793 9 HB3 PHE 2 HB1 PHE 2 -12.224 -2.292 -1.853 10 HD1 PHE 2 HD1 PHE 2 -13.344 -2.276 -4.143 11 HD2 PHE 2 HD2 PHE 2 -9.139 -2.639 -3.606 12 HE1 PHE 2 HE1 PHE 2 -13.140 -3.237 -6.398 13 HE2 PHE 2 HE2 PHE 2 -8.928 -3.592 -5.863 14 HZ PHE 2 HZ PHE 2 -10.931 -3.892 -7.261 15 H ALA 3 HN ALA 3 -11.286 2.183 -2.612 16 HA ALA 3 HA ALA 3 -8.583 1.955 -3.700 17 HB1 ALA 3 HB1 ALA 3 -10.215 3.256 -4.984 18 HB2 ALA 3 HB2 ALA 3 -8.866 4.255 -4.444 19 HB3 ALA 3 HB3 ALA 3 -10.419 4.346 -3.612 20 H TRP 4 HN TRP 4 -7.514 1.527 -1.736 21 HA TRP 4 HA TRP 4 -6.955 3.990 -0.266 22 HB2 TRP 4 HB2 TRP 4 -6.409 2.192 1.639 23 HB3 TRP 4 HB1 TRP 4 -7.978 2.967 1.492 24 HD1 TRP 4 HD1 TRP 4 -6.244 -0.334 0.415 25 HE1 TRP 4 HE1 TRP 4 -8.031 -2.188 0.389 26 HE3 TRP 4 HE3 TRP 4 -10.338 2.501 1.516 27 HZ2 TRP 4 HZ2 TRP 4 -10.819 -2.407 0.797 28 HZ3 TRP 4 HZ3 TRP 4 -12.532 1.398 1.682 29 HH2 TRP 4 HH2 TRP 4 -12.764 -1.005 1.325 30 H ASN 5 HN ASN 5 -4.943 4.542 -0.674 31 HA ASN 5 HA ASN 5 -3.098 2.591 -1.747 32 HB2 ASN 5 HB2 ASN 5 -2.904 5.579 -1.359 33 HB3 ASN 5 HB1 ASN 5 -1.580 4.605 -1.981 34 HD21 ASN 5 HD21 ASN 5 -1.605 5.708 -3.933 35 HD22 ASN 5 HD22 ASN 5 -2.834 5.441 -5.121 36 H VAL 6 HN VAL 6 -1.391 1.752 -0.784 37 HA VAL 6 HA VAL 6 -0.680 2.669 1.920 38 HB VAL 6 HB VAL 6 -0.931 -0.209 1.006 39 HG11 VAL 6 HG11 VAL 6 0.967 0.071 2.500 40 HG12 VAL 6 HG12 VAL 6 -0.336 -0.795 3.314 41 HG13 VAL 6 HG13 VAL 6 -0.056 0.910 3.669 42 HG21 VAL 6 HG21 VAL 6 -3.095 0.777 1.474 43 HG22 VAL 6 HG22 VAL 6 -2.518 1.361 3.035 44 HG23 VAL 6 HG23 VAL 6 -2.668 -0.373 2.741 45 H CYS 7 HN CYS 7 1.265 3.554 1.610 46 HA CYS 7 HA CYS 7 3.109 2.352 -0.316 47 HB2 CYS 7 HB2 CYS 7 3.511 4.940 1.175 48 HB3 CYS 7 HB1 CYS 7 4.293 4.416 -0.307 49 H VAL 8 HN VAL 8 4.898 1.259 0.294 50 HA VAL 8 HA VAL 8 5.804 1.489 3.079 51 HB VAL 8 HB VAL 8 6.058 -1.003 3.184 52 HG11 VAL 8 HG11 VAL 8 3.240 0.028 2.913 53 HG12 VAL 8 HG12 VAL 8 4.254 0.130 4.351 54 HG13 VAL 8 HG13 VAL 8 3.724 -1.443 3.758 55 HG21 VAL 8 HG21 VAL 8 4.695 -2.384 1.690 56 HG22 VAL 8 HG22 VAL 8 5.924 -1.485 0.798 57 HG23 VAL 8 HG23 VAL 8 4.246 -0.944 0.772 58 H TYR 9 HN TYR 9 7.964 0.684 3.411 59 HA TYR 9 HA TYR 9 9.598 0.985 1.030 60 HB2 TYR 9 HB2 TYR 9 10.286 0.785 3.963 61 HB3 TYR 9 HB1 TYR 9 11.498 0.852 2.695 62 HD1 TYR 9 HD1 TYR 9 12.007 2.908 1.567 63 HD2 TYR 9 HD2 TYR 9 8.837 2.738 4.401 64 HE1 TYR 9 HE1 TYR 9 11.898 5.364 1.590 65 HE2 TYR 9 HE2 TYR 9 8.721 5.191 4.427 66 HH TYR 9 HH TYR 9 10.371 7.136 2.134 67 H ARG 10 HN ARG 10 9.789 -0.755 -0.171 68 HA ARG 10 HA ARG 10 10.211 -3.350 1.162 69 HB2 ARG 10 HB2 ARG 10 8.055 -3.257 -0.015 70 HB3 ARG 10 HB1 ARG 10 8.878 -2.780 -1.493 71 HG2 ARG 10 HG2 ARG 10 10.061 -4.939 -1.498 72 HG3 ARG 10 HG1 ARG 10 9.151 -5.413 -0.061 73 HD2 ARG 10 HD2 ARG 10 7.062 -5.163 -1.306 74 HD3 ARG 10 HD1 ARG 10 7.970 -4.688 -2.740 75 HE ARG 10 HE ARG 10 8.942 -7.166 -1.906 76 HH11 ARG 10 HH11 ARG 10 5.960 -5.803 -3.130 77 HH12 ARG 10 HH12 ARG 10 5.451 -7.272 -3.898 78 HH21 ARG 10 HH21 ARG 10 8.282 -9.107 -2.924 79 HH22 ARG 10 HH22 ARG 10 6.766 -9.158 -3.769 80 H ASN 11 HN ASN 11 12.231 -3.993 0.943 81 HA ASN 11 HA ASN 11 14.312 -4.374 0.129 82 HB2 ASN 11 HB2 ASN 11 12.898 -4.160 -2.535 83 HB3 ASN 11 HB1 ASN 11 14.529 -4.779 -2.309 84 HD21 ASN 11 HD21 ASN 11 14.007 -6.203 0.116 85 HD22 ASN 11 HD22 ASN 11 13.021 -7.564 -0.293 86 H GLY 12 HN GLY 12 13.404 -1.596 0.592 87 HA2 GLY 12 HA2 GLY 12 14.933 0.210 0.712 88 HA3 GLY 12 HA1 GLY 12 15.699 -0.373 -0.752 89 H VAL 13 HN VAL 13 12.534 -0.530 -1.525 90 HA VAL 13 HA VAL 13 12.544 2.264 -2.465 91 HB VAL 13 HB VAL 13 12.796 0.676 -4.309 92 HG11 VAL 13 HG11 VAL 13 10.956 -0.811 -4.959 93 HG12 VAL 13 HG12 VAL 13 10.109 -0.390 -3.470 94 HG13 VAL 13 HG13 VAL 13 11.647 -1.251 -3.396 95 HG21 VAL 13 HG21 VAL 13 10.985 1.501 -5.734 96 HG22 VAL 13 HG22 VAL 13 11.669 2.783 -4.733 97 HG23 VAL 13 HG23 VAL 13 10.123 2.058 -4.300 98 H ARG 14 HN ARG 14 10.766 3.489 -2.230 99 HA ARG 14 HA ARG 14 8.737 2.580 -0.387 100 HB2 ARG 14 HB2 ARG 14 9.690 4.889 -0.315 101 HB3 ARG 14 HB1 ARG 14 8.941 5.211 -1.870 102 HG2 ARG 14 HG2 ARG 14 6.729 4.759 -0.835 103 HG3 ARG 14 HG1 ARG 14 7.544 4.618 0.725 104 HD2 ARG 14 HD2 ARG 14 8.388 6.914 0.470 105 HD3 ARG 14 HD1 ARG 14 7.532 7.047 -1.064 106 HE ARG 14 HE ARG 14 6.121 6.568 1.478 107 HH11 ARG 14 HH11 ARG 14 6.519 8.342 -1.515 108 HH12 ARG 14 HH12 ARG 14 5.107 9.319 -1.274 109 HH21 ARG 14 HH21 ARG 14 4.255 7.861 1.798 110 HH22 ARG 14 HH22 ARG 14 3.813 9.040 0.604 111 H VAL 15 HN VAL 15 7.630 0.997 -1.491 112 HA VAL 15 HA VAL 15 6.434 1.621 -4.080 113 HB VAL 15 HB VAL 15 7.544 -0.581 -3.643 114 HG11 VAL 15 HG11 VAL 15 6.348 -2.298 -2.391 115 HG12 VAL 15 HG12 VAL 15 5.164 -1.093 -1.886 116 HG13 VAL 15 HG13 VAL 15 6.842 -0.953 -1.362 117 HG21 VAL 15 HG21 VAL 15 5.979 -0.335 -5.479 118 HG22 VAL 15 HG22 VAL 15 4.633 -0.690 -4.398 119 HG23 VAL 15 HG23 VAL 15 5.828 -1.936 -4.757 120 H CYS 16 HN CYS 16 4.204 1.764 -4.400 121 HA CYS 16 HA CYS 16 2.591 1.600 -1.953 122 HB2 CYS 16 HB2 CYS 16 3.169 3.979 -2.972 123 HB3 CYS 16 HB1 CYS 16 1.826 3.576 -4.033 124 H HIS 17 HN HIS 17 0.554 0.869 -2.156 125 HA HIS 17 HA HIS 17 -0.554 0.181 -4.724 126 HB2 HIS 17 HB2 HIS 17 -0.832 -2.215 -4.165 127 HB3 HIS 17 HB1 HIS 17 0.843 -1.769 -4.400 128 HD1 HIS 17 HD1 HIS 17 -1.482 -3.246 -1.960 129 HD2 HIS 17 HD2 HIS 17 2.371 -1.673 -1.939 130 HE1 HIS 17 HE1 HIS 17 -0.470 -3.955 0.230 131 HE2 HIS 17 HE2 HIS 17 1.908 -3.134 0.145 132 H ARG 18 HN ARG 18 -2.694 -0.655 -4.530 133 HA ARG 18 HA ARG 18 -4.076 0.436 -2.223 134 HB2 ARG 18 HB2 ARG 18 -5.128 -0.961 -4.693 135 HB3 ARG 18 HB1 ARG 18 -6.133 -0.238 -3.445 136 HG2 ARG 18 HG2 ARG 18 -5.208 1.955 -3.966 137 HG3 ARG 18 HG1 ARG 18 -4.174 1.230 -5.199 138 HD2 ARG 18 HD2 ARG 18 -6.178 0.457 -6.395 139 HD3 ARG 18 HD1 ARG 18 -7.187 1.235 -5.178 140 HE ARG 18 HE ARG 18 -5.329 3.034 -6.418 141 HH11 ARG 18 HH11 ARG 18 -8.456 1.508 -6.732 142 HH12 ARG 18 HH12 ARG 18 -9.104 2.733 -7.773 143 HH21 ARG 18 HH21 ARG 18 -6.166 4.655 -7.806 144 HH22 ARG 18 HH22 ARG 18 -7.802 4.540 -8.370 145 H ARG 19 HN ARG 19 -4.703 -0.726 -0.518 146 HA ARG 19 HA ARG 19 -3.693 -3.336 -0.166 147 HB2 ARG 19 HB2 ARG 19 -4.189 -1.572 1.621 148 HB3 ARG 19 HB1 ARG 19 -5.863 -2.088 1.519 149 HG2 ARG 19 HG2 ARG 19 -3.704 -4.083 2.044 150 HG3 ARG 19 HG1 ARG 19 -4.331 -3.079 3.347 151 HD2 ARG 19 HD2 ARG 19 -6.564 -3.915 2.961 152 HD3 ARG 19 HD1 ARG 19 -6.006 -4.837 1.567 153 HE ARG 19 HE ARG 19 -4.506 -5.655 3.768 154 HH11 ARG 19 HH11 ARG 19 -7.840 -5.698 2.719 155 HH12 ARG 19 HH12 ARG 19 -8.218 -7.179 3.536 156 HH21 ARG 19 HH21 ARG 19 -4.998 -7.616 4.863 157 HH22 ARG 19 HH22 ARG 19 -6.602 -8.272 4.762 158 H ALA 20 HN ALA 20 -4.506 -5.269 -0.546 159 HA ALA 20 HA ALA 20 -5.869 -6.947 -1.215 160 HB1 ALA 20 HB1 ALA 20 -7.382 -6.284 0.568 161 HB2 ALA 20 HB2 ALA 20 -8.286 -6.803 -0.855 162 HB3 ALA 20 HB3 ALA 20 -8.127 -5.085 -0.489 163 H ASN 21 HN ASN 21 -4.923 -4.792 -2.995 164 HA ASN 21 HA ASN 21 -6.684 -5.441 -5.247 165 HB2 ASN 21 HB2 ASN 21 -7.102 -3.103 -4.506 166 HB3 ASN 21 HB1 ASN 21 -5.404 -2.748 -4.789 167 HD21 ASN 21 HD21 ASN 21 -7.395 -4.817 -6.795 168 HD22 ASN 21 HD22 ASN 21 -7.381 -3.793 -8.187 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 -13.431 -1.133 -4.267 2 H2 GLY 1 HT2 GLY 1 -15.083 -1.494 -4.273 3 H3 GLY 1 HT3 GLY 1 -14.129 -1.935 -2.952 4 HA2 GLY 1 HA1 GLY 1 -14.736 0.838 -3.802 5 HA3 GLY 1 HA2 GLY 1 -15.470 0.005 -2.441 6 H PHE 2 HN PHE 2 -13.488 -1.144 -1.100 7 HA PHE 2 HA PHE 2 -12.146 1.169 0.001 8 HB2 PHE 2 HB2 PHE 2 -12.086 -1.710 0.911 9 HB3 PHE 2 HB1 PHE 2 -11.479 -0.331 1.817 10 HD1 PHE 2 HD1 PHE 2 -13.263 1.562 2.238 11 HD2 PHE 2 HD2 PHE 2 -14.194 -2.500 1.390 12 HE1 PHE 2 HE1 PHE 2 -15.470 1.857 3.277 13 HE2 PHE 2 HE2 PHE 2 -16.407 -2.211 2.427 14 HZ PHE 2 HZ PHE 2 -17.045 -0.068 3.384 15 H ALA 3 HN ALA 3 -10.880 1.270 -2.131 16 HA ALA 3 HA ALA 3 -8.486 -0.427 -1.983 17 HB1 ALA 3 HB1 ALA 3 -9.407 1.402 -4.199 18 HB2 ALA 3 HB2 ALA 3 -9.572 -0.354 -4.170 19 HB3 ALA 3 HB3 ALA 3 -7.970 0.383 -4.232 20 H TRP 4 HN TRP 4 -7.245 0.510 -0.427 21 HA TRP 4 HA TRP 4 -6.752 3.390 -0.611 22 HB2 TRP 4 HB2 TRP 4 -5.263 2.098 1.494 23 HB3 TRP 4 HB1 TRP 4 -6.467 3.367 1.607 24 HD1 TRP 4 HD1 TRP 4 -6.154 -0.461 1.743 25 HE1 TRP 4 HE1 TRP 4 -8.189 -1.385 2.996 26 HE3 TRP 4 HE3 TRP 4 -8.815 3.853 2.191 27 HZ2 TRP 4 HZ2 TRP 4 -10.630 -0.402 4.034 28 HZ3 TRP 4 HZ3 TRP 4 -11.001 3.787 3.327 29 HH2 TRP 4 HH2 TRP 4 -11.888 1.699 4.230 30 H ASN 5 HN ASN 5 -4.912 4.202 -1.377 31 HA ASN 5 HA ASN 5 -2.859 2.457 -2.354 32 HB2 ASN 5 HB2 ASN 5 -1.682 4.570 -2.986 33 HB3 ASN 5 HB1 ASN 5 -3.307 4.441 -3.641 34 HD21 ASN 5 HD21 ASN 5 -1.203 6.183 -1.534 35 HD22 ASN 5 HD22 ASN 5 -2.303 7.455 -1.140 36 H VAL 6 HN VAL 6 -1.610 1.474 -0.967 37 HA VAL 6 HA VAL 6 -0.598 2.952 1.349 38 HB VAL 6 HB VAL 6 -1.769 1.191 2.296 39 HG11 VAL 6 HG11 VAL 6 -1.834 -1.100 1.472 40 HG12 VAL 6 HG12 VAL 6 -0.755 -0.653 0.149 41 HG13 VAL 6 HG13 VAL 6 -2.374 0.044 0.243 42 HG21 VAL 6 HG21 VAL 6 0.485 1.194 3.175 43 HG22 VAL 6 HG22 VAL 6 1.003 0.086 1.904 44 HG23 VAL 6 HG23 VAL 6 -0.148 -0.451 3.129 45 H CYS 7 HN CYS 7 1.415 3.459 1.296 46 HA CYS 7 HA CYS 7 3.230 2.114 -0.563 47 HB2 CYS 7 HB2 CYS 7 3.696 4.700 0.921 48 HB3 CYS 7 HB1 CYS 7 4.600 4.081 -0.457 49 H VAL 8 HN VAL 8 4.849 0.884 0.145 50 HA VAL 8 HA VAL 8 5.663 1.119 2.962 51 HB VAL 8 HB VAL 8 5.930 -1.380 3.032 52 HG11 VAL 8 HG11 VAL 8 4.082 -0.286 4.163 53 HG12 VAL 8 HG12 VAL 8 3.563 -1.831 3.489 54 HG13 VAL 8 HG13 VAL 8 3.128 -0.325 2.680 55 HG21 VAL 8 HG21 VAL 8 4.607 -2.724 1.461 56 HG22 VAL 8 HG22 VAL 8 5.890 -1.833 0.643 57 HG23 VAL 8 HG23 VAL 8 4.223 -1.267 0.546 58 H TYR 9 HN TYR 9 7.797 0.126 3.366 59 HA TYR 9 HA TYR 9 9.534 0.677 1.092 60 HB2 TYR 9 HB2 TYR 9 10.111 0.399 4.044 61 HB3 TYR 9 HB1 TYR 9 11.340 0.678 2.819 62 HD1 TYR 9 HD1 TYR 9 10.812 2.767 1.235 63 HD2 TYR 9 HD2 TYR 9 9.297 2.234 5.175 64 HE1 TYR 9 HE1 TYR 9 10.449 5.193 1.415 65 HE2 TYR 9 HE2 TYR 9 8.928 4.656 5.366 66 HH TYR 9 HH TYR 9 8.978 6.744 2.743 67 H ARG 10 HN ARG 10 9.910 -1.027 -0.126 68 HA ARG 10 HA ARG 10 10.732 -3.524 1.210 69 HB2 ARG 10 HB2 ARG 10 8.733 -3.880 -0.154 70 HB3 ARG 10 HB1 ARG 10 9.532 -3.161 -1.547 71 HG2 ARG 10 HG2 ARG 10 11.184 -4.980 -1.519 72 HG3 ARG 10 HG1 ARG 10 10.340 -5.705 -0.152 73 HD2 ARG 10 HD2 ARG 10 8.360 -6.031 -1.502 74 HD3 ARG 10 HD1 ARG 10 9.121 -5.205 -2.863 75 HE ARG 10 HE ARG 10 10.769 -7.330 -2.104 76 HH11 ARG 10 HH11 ARG 10 7.591 -6.832 -3.496 77 HH12 ARG 10 HH12 ARG 10 7.624 -8.312 -4.403 78 HH21 ARG 10 HH21 ARG 10 10.809 -9.273 -3.303 79 HH22 ARG 10 HH22 ARG 10 9.447 -9.697 -4.292 80 H ASN 11 HN ASN 11 12.835 -3.800 1.155 81 HA ASN 11 HA ASN 11 15.018 -3.768 0.542 82 HB2 ASN 11 HB2 ASN 11 14.077 -4.900 -1.510 83 HB3 ASN 11 HB1 ASN 11 14.035 -3.322 -2.288 84 HD21 ASN 11 HD21 ASN 11 15.478 -3.854 -3.873 85 HD22 ASN 11 HD22 ASN 11 17.158 -4.125 -3.568 86 H GLY 12 HN GLY 12 13.667 -1.370 1.338 87 HA2 GLY 12 HA2 GLY 12 14.392 0.795 1.712 88 HA3 GLY 12 HA1 GLY 12 15.665 0.542 0.529 89 H VAL 13 HN VAL 13 12.901 -0.408 -0.958 90 HA VAL 13 HA VAL 13 12.679 2.181 -2.312 91 HB VAL 13 HB VAL 13 11.555 -0.456 -3.245 92 HG11 VAL 13 HG11 VAL 13 10.551 1.477 -4.291 93 HG12 VAL 13 HG12 VAL 13 11.581 0.637 -5.450 94 HG13 VAL 13 HG13 VAL 13 12.142 2.123 -4.686 95 HG21 VAL 13 HG21 VAL 13 13.514 -0.679 -4.683 96 HG22 VAL 13 HG22 VAL 13 13.976 -0.674 -2.981 97 HG23 VAL 13 HG23 VAL 13 14.214 0.771 -3.963 98 H ARG 14 HN ARG 14 10.879 3.345 -2.259 99 HA ARG 14 HA ARG 14 8.690 2.556 -0.556 100 HB2 ARG 14 HB2 ARG 14 9.467 4.859 -0.527 101 HB3 ARG 14 HB1 ARG 14 9.170 5.016 -2.249 102 HG2 ARG 14 HG2 ARG 14 6.741 4.629 -1.772 103 HG3 ARG 14 HG1 ARG 14 7.135 4.742 -0.053 104 HD2 ARG 14 HD2 ARG 14 8.051 6.981 -0.413 105 HD3 ARG 14 HD1 ARG 14 7.660 6.868 -2.126 106 HE ARG 14 HE ARG 14 5.736 7.115 0.080 107 HH11 ARG 14 HH11 ARG 14 6.414 7.096 -3.359 108 HH12 ARG 14 HH12 ARG 14 4.902 7.828 -3.784 109 HH21 ARG 14 HH21 ARG 14 3.755 8.083 -0.480 110 HH22 ARG 14 HH22 ARG 14 3.389 8.390 -2.149 111 H VAL 15 HN VAL 15 7.246 1.144 -1.340 112 HA VAL 15 HA VAL 15 6.426 1.465 -4.147 113 HB VAL 15 HB VAL 15 7.520 -0.668 -3.780 114 HG11 VAL 15 HG11 VAL 15 6.555 -2.385 -2.327 115 HG12 VAL 15 HG12 VAL 15 5.389 -1.206 -1.726 116 HG13 VAL 15 HG13 VAL 15 7.112 -0.981 -1.417 117 HG21 VAL 15 HG21 VAL 15 5.718 -0.563 -5.414 118 HG22 VAL 15 HG22 VAL 15 4.550 -0.988 -4.165 119 HG23 VAL 15 HG23 VAL 15 5.784 -2.150 -4.649 120 H CYS 16 HN CYS 16 4.460 2.158 -4.502 121 HA CYS 16 HA CYS 16 2.498 2.044 -2.324 122 HB2 CYS 16 HB2 CYS 16 2.478 3.713 -4.839 123 HB3 CYS 16 HB1 CYS 16 1.322 3.821 -3.518 124 H HIS 17 HN HIS 17 0.778 0.787 -2.465 125 HA HIS 17 HA HIS 17 -0.015 -0.228 -5.095 126 HB2 HIS 17 HB2 HIS 17 -0.340 -2.492 -4.170 127 HB3 HIS 17 HB1 HIS 17 1.337 -1.996 -4.155 128 HD1 HIS 17 HD1 HIS 17 2.183 -1.114 -1.677 129 HD2 HIS 17 HD2 HIS 17 -1.242 -3.457 -1.815 130 HE1 HIS 17 HE1 HIS 17 1.803 -1.894 0.681 131 HE2 HIS 17 HE2 HIS 17 -0.098 -3.536 0.502 132 H ARG 18 HN ARG 18 -2.127 -1.115 -5.162 133 HA ARG 18 HA ARG 18 -3.947 0.408 -3.461 134 HB2 ARG 18 HB2 ARG 18 -4.486 -1.256 -5.929 135 HB3 ARG 18 HB1 ARG 18 -5.689 -0.307 -5.070 136 HG2 ARG 18 HG2 ARG 18 -4.490 1.735 -5.618 137 HG3 ARG 18 HG1 ARG 18 -3.250 0.791 -6.445 138 HD2 ARG 18 HD2 ARG 18 -6.166 0.933 -7.192 139 HD3 ARG 18 HD1 ARG 18 -4.840 1.733 -8.036 140 HE ARG 18 HE ARG 18 -4.090 -0.847 -8.110 141 HH11 ARG 18 HH11 ARG 18 -7.116 0.720 -8.922 142 HH12 ARG 18 HH12 ARG 18 -7.539 -0.444 -10.138 143 HH21 ARG 18 HH21 ARG 18 -4.646 -2.381 -9.705 144 HH22 ARG 18 HH22 ARG 18 -6.124 -2.198 -10.595 145 H ARG 19 HN ARG 19 -4.213 -0.636 -1.549 146 HA ARG 19 HA ARG 19 -4.579 -3.519 -1.540 147 HB2 ARG 19 HB2 ARG 19 -3.232 -2.413 0.221 148 HB3 ARG 19 HB1 ARG 19 -4.675 -1.579 0.774 149 HG2 ARG 19 HG2 ARG 19 -4.238 -3.472 2.188 150 HG3 ARG 19 HG1 ARG 19 -5.711 -3.759 1.261 151 HD2 ARG 19 HD2 ARG 19 -4.502 -5.169 -0.288 152 HD3 ARG 19 HD1 ARG 19 -2.982 -4.816 0.531 153 HE ARG 19 HE ARG 19 -4.807 -5.890 2.378 154 HH11 ARG 19 HH11 ARG 19 -2.865 -6.855 -0.369 155 HH12 ARG 19 HH12 ARG 19 -2.743 -8.508 0.133 156 HH21 ARG 19 HH21 ARG 19 -4.646 -8.073 3.046 157 HH22 ARG 19 HH22 ARG 19 -3.764 -9.204 2.069 158 H ALA 20 HN ALA 20 -6.462 -4.472 -1.592 159 HA ALA 20 HA ALA 20 -8.881 -3.101 -0.739 160 HB1 ALA 20 HB1 ALA 20 -8.628 -2.416 -3.079 161 HB2 ALA 20 HB2 ALA 20 -10.033 -3.460 -2.860 162 HB3 ALA 20 HB3 ALA 20 -8.553 -4.109 -3.566 163 H ASN 21 HN ASN 21 -9.070 -4.688 0.823 164 HA ASN 21 HA ASN 21 -8.867 -7.471 0.243 165 HB2 ASN 21 HB2 ASN 21 -10.038 -6.037 2.638 166 HB3 ASN 21 HB1 ASN 21 -9.794 -7.777 2.540 167 HD21 ASN 21 HD21 ASN 21 -8.374 -7.870 4.226 168 HD22 ASN 21 HD22 ASN 21 -6.776 -7.208 4.155 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 -13.403 -2.542 -3.947 2 H2 GLY 1 HT2 GLY 1 -12.711 -1.111 -4.518 3 H3 GLY 1 HT3 GLY 1 -14.334 -1.450 -4.842 4 HA2 GLY 1 HA1 GLY 1 -14.164 0.194 -3.105 5 HA3 GLY 1 HA2 GLY 1 -14.872 -1.295 -2.501 6 H PHE 2 HN PHE 2 -13.454 0.848 -1.097 7 HA PHE 2 HA PHE 2 -11.974 1.130 0.596 8 HB2 PHE 2 HB2 PHE 2 -11.891 -1.891 0.637 9 HB3 PHE 2 HB1 PHE 2 -11.361 -0.824 1.932 10 HD1 PHE 2 HD1 PHE 2 -13.134 0.749 2.937 11 HD2 PHE 2 HD2 PHE 2 -14.070 -2.675 0.593 12 HE1 PHE 2 HE1 PHE 2 -15.396 0.717 3.896 13 HE2 PHE 2 HE2 PHE 2 -16.335 -2.713 1.552 14 HZ PHE 2 HZ PHE 2 -17.008 -1.012 3.183 15 H ALA 3 HN ALA 3 -10.911 1.340 -1.942 16 HA ALA 3 HA ALA 3 -8.378 -0.090 -1.946 17 HB1 ALA 3 HB1 ALA 3 -9.483 1.919 -3.900 18 HB2 ALA 3 HB2 ALA 3 -9.554 0.163 -4.063 19 HB3 ALA 3 HB3 ALA 3 -7.997 0.991 -4.102 20 H TRP 4 HN TRP 4 -7.109 0.723 -0.365 21 HA TRP 4 HA TRP 4 -6.660 3.606 -0.282 22 HB2 TRP 4 HB2 TRP 4 -5.057 1.798 1.431 23 HB3 TRP 4 HB1 TRP 4 -5.780 3.343 1.814 24 HD1 TRP 4 HD1 TRP 4 -6.243 -0.303 2.289 25 HE1 TRP 4 HE1 TRP 4 -8.495 -0.756 3.477 26 HE3 TRP 4 HE3 TRP 4 -8.284 4.321 1.853 27 HZ2 TRP 4 HZ2 TRP 4 -10.841 0.700 4.132 28 HZ3 TRP 4 HZ3 TRP 4 -10.537 4.736 2.776 29 HH2 TRP 4 HH2 TRP 4 -11.785 2.957 3.892 30 H ASN 5 HN ASN 5 -4.820 4.543 -1.028 31 HA ASN 5 HA ASN 5 -2.940 2.954 -2.513 32 HB2 ASN 5 HB2 ASN 5 -2.975 5.884 -1.760 33 HB3 ASN 5 HB1 ASN 5 -1.683 5.150 -2.700 34 HD21 ASN 5 HD21 ASN 5 -2.044 6.354 -4.505 35 HD22 ASN 5 HD22 ASN 5 -3.439 6.169 -5.505 36 H VAL 6 HN VAL 6 -1.838 1.600 -1.245 37 HA VAL 6 HA VAL 6 -0.776 2.576 1.295 38 HB VAL 6 HB VAL 6 -1.200 -0.247 0.296 39 HG11 VAL 6 HG11 VAL 6 -0.079 0.702 2.932 40 HG12 VAL 6 HG12 VAL 6 0.801 -0.164 1.673 41 HG13 VAL 6 HG13 VAL 6 -0.509 -0.963 2.543 42 HG21 VAL 6 HG21 VAL 6 -3.249 0.880 0.938 43 HG22 VAL 6 HG22 VAL 6 -2.538 1.326 2.490 44 HG23 VAL 6 HG23 VAL 6 -2.839 -0.371 2.113 45 H CYS 7 HN CYS 7 1.161 3.366 1.113 46 HA CYS 7 HA CYS 7 3.105 2.070 -0.659 47 HB2 CYS 7 HB2 CYS 7 3.287 4.754 0.713 48 HB3 CYS 7 HB1 CYS 7 4.413 4.115 -0.473 49 H VAL 8 HN VAL 8 4.755 0.958 0.150 50 HA VAL 8 HA VAL 8 5.484 1.329 2.973 51 HB VAL 8 HB VAL 8 5.786 -1.182 3.154 52 HG11 VAL 8 HG11 VAL 8 3.986 -0.027 4.297 53 HG12 VAL 8 HG12 VAL 8 3.432 -1.595 3.704 54 HG13 VAL 8 HG13 VAL 8 2.982 -0.117 2.850 55 HG21 VAL 8 HG21 VAL 8 4.405 -2.583 1.686 56 HG22 VAL 8 HG22 VAL 8 5.661 -1.733 0.786 57 HG23 VAL 8 HG23 VAL 8 3.995 -1.162 0.726 58 H TYR 9 HN TYR 9 7.632 0.716 3.471 59 HA TYR 9 HA TYR 9 9.384 0.948 1.169 60 HB2 TYR 9 HB2 TYR 9 9.800 1.200 4.133 61 HB3 TYR 9 HB1 TYR 9 11.164 1.071 3.029 62 HD1 TYR 9 HD1 TYR 9 11.786 2.913 1.603 63 HD2 TYR 9 HD2 TYR 9 8.302 3.145 4.036 64 HE1 TYR 9 HE1 TYR 9 11.657 5.333 1.181 65 HE2 TYR 9 HE2 TYR 9 8.163 5.561 3.616 66 HH TYR 9 HH TYR 9 10.029 7.125 1.218 67 H ARG 10 HN ARG 10 10.047 -0.780 0.171 68 HA ARG 10 HA ARG 10 10.814 -3.137 1.739 69 HB2 ARG 10 HB2 ARG 10 9.084 -3.178 -0.733 70 HB3 ARG 10 HB1 ARG 10 9.800 -4.603 0.013 71 HG2 ARG 10 HG2 ARG 10 8.548 -4.117 2.076 72 HG3 ARG 10 HG1 ARG 10 7.782 -2.751 1.262 73 HD2 ARG 10 HD2 ARG 10 6.295 -4.619 1.182 74 HD3 ARG 10 HD1 ARG 10 6.918 -4.326 -0.439 75 HE ARG 10 HE ARG 10 8.512 -6.248 0.896 76 HH11 ARG 10 HH11 ARG 10 5.412 -5.850 -0.660 77 HH12 ARG 10 HH12 ARG 10 5.268 -7.522 -1.098 78 HH21 ARG 10 HH21 ARG 10 8.337 -8.452 0.319 79 HH22 ARG 10 HH22 ARG 10 6.933 -9.005 -0.537 80 H ASN 11 HN ASN 11 12.729 -3.953 1.115 81 HA ASN 11 HA ASN 11 14.723 -4.147 0.049 82 HB2 ASN 11 HB2 ASN 11 13.084 -3.542 -2.424 83 HB3 ASN 11 HB1 ASN 11 14.741 -4.136 -2.429 84 HD21 ASN 11 HD21 ASN 11 11.420 -4.929 -1.959 85 HD22 ASN 11 HD22 ASN 11 11.626 -6.641 -1.823 86 H GLY 12 HN GLY 12 13.802 -1.568 1.077 87 HA2 GLY 12 HA2 GLY 12 14.965 0.411 1.375 88 HA3 GLY 12 HA1 GLY 12 15.984 -0.018 0.014 89 H VAL 13 HN VAL 13 12.680 -0.214 -0.769 90 HA VAL 13 HA VAL 13 12.648 2.574 -1.690 91 HB VAL 13 HB VAL 13 13.355 1.146 -3.568 92 HG11 VAL 13 HG11 VAL 13 12.222 -0.916 -2.999 93 HG12 VAL 13 HG12 VAL 13 11.764 -0.391 -4.620 94 HG13 VAL 13 HG13 VAL 13 10.659 -0.148 -3.269 95 HG21 VAL 13 HG21 VAL 13 11.709 1.964 -5.209 96 HG22 VAL 13 HG22 VAL 13 12.186 3.204 -4.052 97 HG23 VAL 13 HG23 VAL 13 10.631 2.389 -3.881 98 H ARG 14 HN ARG 14 10.645 3.544 -1.815 99 HA ARG 14 HA ARG 14 8.542 2.318 -0.271 100 HB2 ARG 14 HB2 ARG 14 9.143 4.720 -0.070 101 HB3 ARG 14 HB1 ARG 14 8.606 4.966 -1.726 102 HG2 ARG 14 HG2 ARG 14 6.346 4.254 -1.069 103 HG3 ARG 14 HG1 ARG 14 6.904 4.111 0.602 104 HD2 ARG 14 HD2 ARG 14 5.876 6.234 0.420 105 HD3 ARG 14 HD1 ARG 14 7.617 6.513 0.446 106 HE ARG 14 HE ARG 14 7.012 6.372 -2.205 107 HH11 ARG 14 HH11 ARG 14 5.819 8.297 0.470 108 HH12 ARG 14 HH12 ARG 14 5.431 9.664 -0.525 109 HH21 ARG 14 HH21 ARG 14 6.506 8.176 -3.509 110 HH22 ARG 14 HH22 ARG 14 5.827 9.598 -2.782 111 H VAL 15 HN VAL 15 7.388 0.799 -1.291 112 HA VAL 15 HA VAL 15 6.645 1.205 -4.091 113 HB VAL 15 HB VAL 15 7.604 -0.974 -3.491 114 HG11 VAL 15 HG11 VAL 15 6.371 -2.569 -2.123 115 HG12 VAL 15 HG12 VAL 15 5.177 -1.327 -1.751 116 HG13 VAL 15 HG13 VAL 15 6.840 -1.146 -1.195 117 HG21 VAL 15 HG21 VAL 15 5.891 -2.392 -4.524 118 HG22 VAL 15 HG22 VAL 15 6.075 -0.853 -5.366 119 HG23 VAL 15 HG23 VAL 15 4.704 -1.110 -4.286 120 H CYS 16 HN CYS 16 4.604 1.622 -4.721 121 HA CYS 16 HA CYS 16 2.590 1.861 -2.592 122 HB2 CYS 16 HB2 CYS 16 2.885 3.455 -5.140 123 HB3 CYS 16 HB1 CYS 16 1.551 3.612 -4.006 124 H HIS 17 HN HIS 17 0.661 0.912 -2.845 125 HA HIS 17 HA HIS 17 -0.125 -0.154 -5.424 126 HB2 HIS 17 HB2 HIS 17 -0.572 -2.423 -4.361 127 HB3 HIS 17 HB1 HIS 17 1.101 -2.038 -4.718 128 HD1 HIS 17 HD1 HIS 17 2.645 -2.661 -2.888 129 HD2 HIS 17 HD2 HIS 17 -1.155 -1.762 -1.457 130 HE1 HIS 17 HE1 HIS 17 2.752 -3.016 -0.400 131 HE2 HIS 17 HE2 HIS 17 0.387 -2.705 0.393 132 H ARG 18 HN ARG 18 -2.281 -1.006 -5.424 133 HA ARG 18 HA ARG 18 -3.990 0.506 -3.619 134 HB2 ARG 18 HB2 ARG 18 -5.825 -0.345 -5.155 135 HB3 ARG 18 HB1 ARG 18 -4.638 0.723 -5.886 136 HG2 ARG 18 HG2 ARG 18 -3.481 -1.246 -6.812 137 HG3 ARG 18 HG1 ARG 18 -4.743 -2.277 -6.137 138 HD2 ARG 18 HD2 ARG 18 -6.408 -1.212 -7.512 139 HD3 ARG 18 HD1 ARG 18 -5.229 -0.037 -8.096 140 HE ARG 18 HE ARG 18 -4.403 -2.706 -8.647 141 HH11 ARG 18 HH11 ARG 18 -6.610 -0.221 -9.724 142 HH12 ARG 18 HH12 ARG 18 -6.601 -0.743 -11.376 143 HH21 ARG 18 HH21 ARG 18 -4.402 -3.417 -10.824 144 HH22 ARG 18 HH22 ARG 18 -5.352 -2.565 -12.002 145 H ARG 19 HN ARG 19 -4.624 -0.361 -1.804 146 HA ARG 19 HA ARG 19 -4.329 -3.130 -1.209 147 HB2 ARG 19 HB2 ARG 19 -4.158 -1.195 0.416 148 HB3 ARG 19 HB1 ARG 19 -5.909 -1.083 0.349 149 HG2 ARG 19 HG2 ARG 19 -5.287 -2.293 2.313 150 HG3 ARG 19 HG1 ARG 19 -6.043 -3.414 1.181 151 HD2 ARG 19 HD2 ARG 19 -3.908 -4.289 0.529 152 HD3 ARG 19 HD1 ARG 19 -3.063 -3.055 1.464 153 HE ARG 19 HE ARG 19 -4.680 -4.434 3.242 154 HH11 ARG 19 HH11 ARG 19 -1.985 -5.174 1.133 155 HH12 ARG 19 HH12 ARG 19 -1.373 -6.433 2.157 156 HH21 ARG 19 HH21 ARG 19 -3.877 -6.086 4.583 157 HH22 ARG 19 HH22 ARG 19 -2.444 -6.951 4.122 158 H ALA 20 HN ALA 20 -5.854 -4.726 -1.011 159 HA ALA 20 HA ALA 20 -7.748 -5.907 -1.367 160 HB1 ALA 20 HB1 ALA 20 -9.175 -3.291 -0.916 161 HB2 ALA 20 HB2 ALA 20 -8.642 -4.392 0.353 162 HB3 ALA 20 HB3 ALA 20 -9.870 -4.908 -0.800 163 H ASN 21 HN ASN 21 -6.809 -5.936 -3.606 164 HA ASN 21 HA ASN 21 -8.590 -4.578 -5.502 165 HB2 ASN 21 HB2 ASN 21 -6.786 -5.226 -7.206 166 HB3 ASN 21 HB1 ASN 21 -6.405 -3.947 -6.065 167 HD21 ASN 21 HD21 ASN 21 -6.378 -7.409 -5.369 168 HD22 ASN 21 HD22 ASN 21 -4.669 -7.511 -5.094 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 -13.613 1.315 -5.667 2 H2 GLY 1 HT2 GLY 1 -13.769 2.956 -5.297 3 H3 GLY 1 HT3 GLY 1 -14.926 2.193 -6.266 4 HA2 GLY 1 HA1 GLY 1 -15.782 2.519 -4.042 5 HA3 GLY 1 HA2 GLY 1 -15.626 0.811 -4.427 6 H PHE 2 HN PHE 2 -12.859 0.526 -4.117 7 HA PHE 2 HA PHE 2 -12.519 1.083 -1.241 8 HB2 PHE 2 HB2 PHE 2 -11.519 -1.345 -2.751 9 HB3 PHE 2 HB1 PHE 2 -11.370 -1.051 -1.021 10 HD1 PHE 2 HD1 PHE 2 -13.248 -2.658 -3.513 11 HD2 PHE 2 HD2 PHE 2 -13.640 -0.694 0.237 12 HE1 PHE 2 HE1 PHE 2 -15.386 -3.815 -3.138 13 HE2 PHE 2 HE2 PHE 2 -15.776 -1.846 0.619 14 HZ PHE 2 HZ PHE 2 -16.662 -3.400 -1.092 15 H ALA 3 HN ALA 3 -11.522 3.062 -2.245 16 HA ALA 3 HA ALA 3 -8.941 2.575 -3.520 17 HB1 ALA 3 HB1 ALA 3 -10.464 4.162 -4.593 18 HB2 ALA 3 HB2 ALA 3 -8.965 4.941 -4.081 19 HB3 ALA 3 HB3 ALA 3 -10.439 5.162 -3.140 20 H TRP 4 HN TRP 4 -7.846 1.853 -1.634 21 HA TRP 4 HA TRP 4 -6.812 4.157 -0.180 22 HB2 TRP 4 HB2 TRP 4 -6.282 2.297 1.621 23 HB3 TRP 4 HB1 TRP 4 -7.785 3.201 1.642 24 HD1 TRP 4 HD1 TRP 4 -6.449 -0.242 0.424 25 HE1 TRP 4 HE1 TRP 4 -8.396 -1.929 0.617 26 HE3 TRP 4 HE3 TRP 4 -10.152 2.959 1.883 27 HZ2 TRP 4 HZ2 TRP 4 -11.136 -1.894 1.309 28 HZ3 TRP 4 HZ3 TRP 4 -12.405 2.059 2.300 29 HH2 TRP 4 HH2 TRP 4 -12.883 -0.320 2.017 30 H ASN 5 HN ASN 5 -4.772 4.469 -0.590 31 HA ASN 5 HA ASN 5 -3.226 2.291 -1.760 32 HB2 ASN 5 HB2 ASN 5 -1.587 3.995 -2.388 33 HB3 ASN 5 HB1 ASN 5 -3.192 4.447 -2.944 34 HD21 ASN 5 HD21 ASN 5 -4.236 6.193 -1.994 35 HD22 ASN 5 HD22 ASN 5 -3.393 7.348 -1.025 36 H VAL 6 HN VAL 6 -1.670 1.273 -0.759 37 HA VAL 6 HA VAL 6 -0.793 2.246 1.872 38 HB VAL 6 HB VAL 6 -1.109 -0.581 0.845 39 HG11 VAL 6 HG11 VAL 6 0.990 -0.456 2.070 40 HG12 VAL 6 HG12 VAL 6 -0.216 -1.328 3.014 41 HG13 VAL 6 HG13 VAL 6 0.179 0.343 3.417 42 HG21 VAL 6 HG21 VAL 6 -2.340 0.899 3.166 43 HG22 VAL 6 HG22 VAL 6 -2.577 -0.812 2.810 44 HG23 VAL 6 HG23 VAL 6 -3.151 0.411 1.676 45 H CYS 7 HN CYS 7 1.121 3.148 1.659 46 HA CYS 7 HA CYS 7 3.035 2.115 -0.291 47 HB2 CYS 7 HB2 CYS 7 3.238 4.572 1.454 48 HB3 CYS 7 HB1 CYS 7 4.283 4.156 0.104 49 H VAL 8 HN VAL 8 4.780 0.977 0.285 50 HA VAL 8 HA VAL 8 5.640 1.038 3.090 51 HB VAL 8 HB VAL 8 6.042 -1.451 2.985 52 HG11 VAL 8 HG11 VAL 8 4.225 -0.532 4.293 53 HG12 VAL 8 HG12 VAL 8 3.717 -2.036 3.525 54 HG13 VAL 8 HG13 VAL 8 3.188 -0.489 2.868 55 HG21 VAL 8 HG21 VAL 8 4.690 -2.754 1.410 56 HG22 VAL 8 HG22 VAL 8 5.877 -1.751 0.576 57 HG23 VAL 8 HG23 VAL 8 4.182 -1.263 0.618 58 H TYR 9 HN TYR 9 7.813 0.413 3.424 59 HA TYR 9 HA TYR 9 9.487 0.877 1.080 60 HB2 TYR 9 HB2 TYR 9 10.115 0.861 4.038 61 HB3 TYR 9 HB1 TYR 9 11.299 1.148 2.774 62 HD1 TYR 9 HD1 TYR 9 11.285 3.231 1.499 63 HD2 TYR 9 HD2 TYR 9 8.483 2.538 4.623 64 HE1 TYR 9 HE1 TYR 9 10.734 5.624 1.526 65 HE2 TYR 9 HE2 TYR 9 7.925 4.931 4.659 66 HH TYR 9 HH TYR 9 8.969 7.073 4.019 67 H ARG 10 HN ARG 10 9.895 -0.941 0.002 68 HA ARG 10 HA ARG 10 10.812 -3.257 1.568 69 HB2 ARG 10 HB2 ARG 10 9.046 -3.334 -0.881 70 HB3 ARG 10 HB1 ARG 10 9.754 -4.744 -0.104 71 HG2 ARG 10 HG2 ARG 10 7.804 -2.835 1.150 72 HG3 ARG 10 HG1 ARG 10 7.424 -4.445 0.535 73 HD2 ARG 10 HD2 ARG 10 8.963 -5.417 2.179 74 HD3 ARG 10 HD1 ARG 10 9.321 -3.803 2.791 75 HE ARG 10 HE ARG 10 6.747 -5.203 3.038 76 HH11 ARG 10 HH11 ARG 10 8.913 -2.619 4.002 77 HH12 ARG 10 HH12 ARG 10 7.984 -2.197 5.406 78 HH21 ARG 10 HH21 ARG 10 5.519 -4.635 4.882 79 HH22 ARG 10 HH22 ARG 10 6.061 -3.348 5.909 80 H ASN 11 HN ASN 11 12.743 -3.878 1.071 81 HA ASN 11 HA ASN 11 14.735 -4.159 0.027 82 HB2 ASN 11 HB2 ASN 11 13.052 -3.999 -2.486 83 HB3 ASN 11 HB1 ASN 11 14.738 -4.505 -2.438 84 HD21 ASN 11 HD21 ASN 11 11.467 -5.378 -1.754 85 HD22 ASN 11 HD22 ASN 11 11.762 -7.040 -1.379 86 H GLY 12 HN GLY 12 13.730 -1.484 0.675 87 HA2 GLY 12 HA2 GLY 12 15.003 0.465 0.757 88 HA3 GLY 12 HA1 GLY 12 15.900 -0.082 -0.646 89 H VAL 13 HN VAL 13 12.543 -0.316 -1.120 90 HA VAL 13 HA VAL 13 12.500 2.353 -2.348 91 HB VAL 13 HB VAL 13 12.913 0.587 -4.064 92 HG11 VAL 13 HG11 VAL 13 10.130 -0.295 -3.342 93 HG12 VAL 13 HG12 VAL 13 11.616 -1.225 -3.147 94 HG13 VAL 13 HG13 VAL 13 11.028 -0.828 -4.762 95 HG21 VAL 13 HG21 VAL 13 11.247 1.414 -5.662 96 HG22 VAL 13 HG22 VAL 13 11.945 2.716 -4.698 97 HG23 VAL 13 HG23 VAL 13 10.332 2.111 -4.325 98 H ARG 14 HN ARG 14 10.542 3.379 -2.440 99 HA ARG 14 HA ARG 14 8.532 2.445 -0.551 100 HB2 ARG 14 HB2 ARG 14 9.275 4.758 -0.368 101 HB3 ARG 14 HB1 ARG 14 8.843 5.055 -2.046 102 HG2 ARG 14 HG2 ARG 14 6.475 4.559 -1.451 103 HG3 ARG 14 HG1 ARG 14 6.975 4.479 0.239 104 HD2 ARG 14 HD2 ARG 14 7.779 6.783 0.110 105 HD3 ARG 14 HD1 ARG 14 7.293 6.862 -1.582 106 HE ARG 14 HE ARG 14 5.289 6.313 0.491 107 HH11 ARG 14 HH11 ARG 14 6.574 8.428 -1.991 108 HH12 ARG 14 HH12 ARG 14 5.142 9.401 -2.077 109 HH21 ARG 14 HH21 ARG 14 3.409 7.608 0.388 110 HH22 ARG 14 HH22 ARG 14 3.348 8.941 -0.719 111 H VAL 15 HN VAL 15 7.079 1.070 -1.381 112 HA VAL 15 HA VAL 15 6.100 1.575 -4.107 113 HB VAL 15 HB VAL 15 7.078 -0.628 -3.853 114 HG11 VAL 15 HG11 VAL 15 6.781 -0.952 -1.467 115 HG12 VAL 15 HG12 VAL 15 6.124 -2.318 -2.369 116 HG13 VAL 15 HG13 VAL 15 5.039 -1.106 -1.691 117 HG21 VAL 15 HG21 VAL 15 5.210 -0.423 -5.382 118 HG22 VAL 15 HG22 VAL 15 4.075 -0.737 -4.072 119 HG23 VAL 15 HG23 VAL 15 5.181 -2.003 -4.601 120 H CYS 16 HN CYS 16 4.114 2.294 -4.390 121 HA CYS 16 HA CYS 16 2.225 2.116 -2.145 122 HB2 CYS 16 HB2 CYS 16 2.268 4.060 -4.454 123 HB3 CYS 16 HB1 CYS 16 1.074 4.042 -3.165 124 H HIS 17 HN HIS 17 0.438 0.980 -2.384 125 HA HIS 17 HA HIS 17 -0.732 0.471 -4.969 126 HB2 HIS 17 HB2 HIS 17 -0.687 -1.980 -4.723 127 HB3 HIS 17 HB1 HIS 17 0.916 -1.312 -4.929 128 HD1 HIS 17 HD1 HIS 17 -1.236 -3.159 -2.524 129 HD2 HIS 17 HD2 HIS 17 2.587 -1.521 -2.632 130 HE1 HIS 17 HE1 HIS 17 -0.051 -4.064 -0.501 131 HE2 HIS 17 HE2 HIS 17 2.300 -3.190 -0.673 132 H ARG 18 HN ARG 18 -2.740 -0.684 -4.795 133 HA ARG 18 HA ARG 18 -4.284 0.079 -2.510 134 HB2 ARG 18 HB2 ARG 18 -4.921 -1.798 -4.799 135 HB3 ARG 18 HB1 ARG 18 -6.086 -1.257 -3.599 136 HG2 ARG 18 HG2 ARG 18 -5.990 0.973 -4.374 137 HG3 ARG 18 HG1 ARG 18 -4.573 0.636 -5.372 138 HD2 ARG 18 HD2 ARG 18 -7.331 -0.520 -5.763 139 HD3 ARG 18 HD1 ARG 18 -6.602 0.764 -6.730 140 HE ARG 18 HE ARG 18 -4.835 -1.326 -6.863 141 HH11 ARG 18 HH11 ARG 18 -8.201 -0.851 -7.688 142 HH12 ARG 18 HH12 ARG 18 -8.179 -2.026 -8.963 143 HH21 ARG 18 HH21 ARG 18 -4.806 -2.884 -8.510 144 HH22 ARG 18 HH22 ARG 18 -6.246 -3.190 -9.425 145 H ARG 19 HN ARG 19 -4.799 -1.103 -0.728 146 HA ARG 19 HA ARG 19 -3.268 -3.451 -0.197 147 HB2 ARG 19 HB2 ARG 19 -3.834 -1.900 1.597 148 HB3 ARG 19 HB1 ARG 19 -5.545 -2.240 1.381 149 HG2 ARG 19 HG2 ARG 19 -5.204 -4.534 2.069 150 HG3 ARG 19 HG1 ARG 19 -3.468 -4.262 2.202 151 HD2 ARG 19 HD2 ARG 19 -3.840 -2.650 3.985 152 HD3 ARG 19 HD1 ARG 19 -5.582 -2.859 3.829 153 HE ARG 19 HE ARG 19 -4.436 -5.368 4.292 154 HH11 ARG 19 HH11 ARG 19 -4.891 -2.336 5.982 155 HH12 ARG 19 HH12 ARG 19 -4.964 -3.080 7.546 156 HH21 ARG 19 HH21 ARG 19 -4.538 -6.348 6.342 157 HH22 ARG 19 HH22 ARG 19 -4.760 -5.361 7.754 158 H ALA 20 HN ALA 20 -3.720 -5.441 -0.701 159 HA ALA 20 HA ALA 20 -6.277 -6.086 -1.905 160 HB1 ALA 20 HB1 ALA 20 -5.221 -8.207 -2.506 161 HB2 ALA 20 HB2 ALA 20 -3.808 -7.782 -1.541 162 HB3 ALA 20 HB3 ALA 20 -4.213 -6.839 -2.974 163 H ASN 21 HN ASN 21 -6.996 -5.564 0.507 164 HA ASN 21 HA ASN 21 -7.096 -8.108 1.982 165 HB2 ASN 21 HB2 ASN 21 -6.115 -6.243 3.262 166 HB3 ASN 21 HB1 ASN 21 -7.570 -5.292 2.995 167 HD21 ASN 21 HD21 ASN 21 -6.177 -7.981 4.698 168 HD22 ASN 21 HD22 ASN 21 -7.451 -8.164 5.852 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 -14.438 -0.590 -3.142 2 H2 GLY 1 HT2 GLY 1 -15.833 0.026 -2.417 3 H3 GLY 1 HT3 GLY 1 -15.623 -1.646 -2.560 4 HA2 GLY 1 HA1 GLY 1 -15.194 -0.930 -0.301 5 HA3 GLY 1 HA2 GLY 1 -13.757 -1.595 -1.057 6 H PHE 2 HN PHE 2 -13.297 -0.097 1.077 7 HA PHE 2 HA PHE 2 -12.956 2.666 0.562 8 HB2 PHE 2 HB2 PHE 2 -11.648 0.825 2.564 9 HB3 PHE 2 HB1 PHE 2 -11.346 2.557 2.505 10 HD1 PHE 2 HD1 PHE 2 -13.451 4.077 2.652 11 HD2 PHE 2 HD2 PHE 2 -13.344 0.010 3.896 12 HE1 PHE 2 HE1 PHE 2 -15.391 4.477 4.109 13 HE2 PHE 2 HE2 PHE 2 -15.286 0.402 5.351 14 HZ PHE 2 HZ PHE 2 -16.312 2.639 5.461 15 H ALA 3 HN ALA 3 -11.475 3.673 -0.580 16 HA ALA 3 HA ALA 3 -9.333 2.121 -1.780 17 HB1 ALA 3 HB1 ALA 3 -10.705 3.563 -3.209 18 HB2 ALA 3 HB2 ALA 3 -9.009 4.042 -3.237 19 HB3 ALA 3 HB3 ALA 3 -10.174 4.970 -2.294 20 H TRP 4 HN TRP 4 -8.030 1.874 0.111 21 HA TRP 4 HA TRP 4 -6.537 4.306 0.759 22 HB2 TRP 4 HB2 TRP 4 -5.425 2.469 2.388 23 HB3 TRP 4 HB1 TRP 4 -6.781 3.487 2.840 24 HD1 TRP 4 HD1 TRP 4 -6.411 -0.013 1.147 25 HE1 TRP 4 HE1 TRP 4 -8.160 -1.567 2.225 26 HE3 TRP 4 HE3 TRP 4 -8.556 3.321 4.314 27 HZ2 TRP 4 HZ2 TRP 4 -10.187 -1.388 4.191 28 HZ3 TRP 4 HZ3 TRP 4 -10.393 2.569 5.784 29 HH2 TRP 4 HH2 TRP 4 -11.189 0.257 5.716 30 H ASN 5 HN ASN 5 -4.613 4.621 -0.125 31 HA ASN 5 HA ASN 5 -3.464 2.580 -1.811 32 HB2 ASN 5 HB2 ASN 5 -1.755 4.325 -2.337 33 HB3 ASN 5 HB1 ASN 5 -3.405 4.861 -2.628 34 HD21 ASN 5 HD21 ASN 5 -0.526 5.341 -0.803 35 HD22 ASN 5 HD22 ASN 5 -1.046 6.757 0.040 36 H VAL 6 HN VAL 6 -2.012 1.153 -1.191 37 HA VAL 6 HA VAL 6 -0.758 1.537 1.421 38 HB VAL 6 HB VAL 6 -2.038 -0.422 1.538 39 HG11 VAL 6 HG11 VAL 6 -2.564 -0.729 -0.797 40 HG12 VAL 6 HG12 VAL 6 -1.958 -2.239 -0.117 41 HG13 VAL 6 HG13 VAL 6 -0.910 -1.245 -1.130 42 HG21 VAL 6 HG21 VAL 6 0.769 -1.292 0.871 43 HG22 VAL 6 HG22 VAL 6 -0.415 -2.238 1.773 44 HG23 VAL 6 HG23 VAL 6 0.197 -0.725 2.439 45 H CYS 7 HN CYS 7 1.149 2.363 1.250 46 HA CYS 7 HA CYS 7 3.020 1.333 -0.776 47 HB2 CYS 7 HB2 CYS 7 3.108 3.968 0.709 48 HB3 CYS 7 HB1 CYS 7 4.236 3.445 -0.533 49 H VAL 8 HN VAL 8 4.898 0.408 -0.084 50 HA VAL 8 HA VAL 8 5.556 0.651 2.771 51 HB VAL 8 HB VAL 8 6.170 -1.797 2.784 52 HG11 VAL 8 HG11 VAL 8 3.885 -2.550 3.226 53 HG12 VAL 8 HG12 VAL 8 3.257 -1.105 2.433 54 HG13 VAL 8 HG13 VAL 8 4.191 -0.959 3.921 55 HG21 VAL 8 HG21 VAL 8 6.188 -2.192 0.386 56 HG22 VAL 8 HG22 VAL 8 4.465 -1.829 0.296 57 HG23 VAL 8 HG23 VAL 8 5.022 -3.252 1.175 58 H TYR 9 HN TYR 9 7.726 0.360 3.289 59 HA TYR 9 HA TYR 9 9.531 0.929 1.092 60 HB2 TYR 9 HB2 TYR 9 9.957 0.854 4.086 61 HB3 TYR 9 HB1 TYR 9 11.197 1.273 2.917 62 HD1 TYR 9 HD1 TYR 9 10.974 3.354 1.576 63 HD2 TYR 9 HD2 TYR 9 8.305 2.432 4.752 64 HE1 TYR 9 HE1 TYR 9 10.245 5.700 1.632 65 HE2 TYR 9 HE2 TYR 9 7.566 4.776 4.819 66 HH TYR 9 HH TYR 9 8.363 7.021 2.350 67 H ARG 10 HN ARG 10 10.340 -0.705 0.011 68 HA ARG 10 HA ARG 10 11.049 -3.166 1.472 69 HB2 ARG 10 HB2 ARG 10 9.247 -3.529 -0.139 70 HB3 ARG 10 HB1 ARG 10 10.217 -2.808 -1.415 71 HG2 ARG 10 HG2 ARG 10 11.851 -4.631 -1.169 72 HG3 ARG 10 HG1 ARG 10 10.809 -5.369 0.048 73 HD2 ARG 10 HD2 ARG 10 9.016 -5.557 -1.597 74 HD3 ARG 10 HD1 ARG 10 10.048 -4.806 -2.810 75 HE ARG 10 HE ARG 10 11.182 -7.171 -1.632 76 HH11 ARG 10 HH11 ARG 10 9.105 -5.923 -4.158 77 HH12 ARG 10 HH12 ARG 10 9.277 -7.319 -5.169 78 HH21 ARG 10 HH21 ARG 10 11.412 -9.012 -2.962 79 HH22 ARG 10 HH22 ARG 10 10.591 -9.082 -4.488 80 H ASN 11 HN ASN 11 13.172 -3.063 1.846 81 HA ASN 11 HA ASN 11 15.415 -2.912 1.523 82 HB2 ASN 11 HB2 ASN 11 14.855 -4.511 -0.337 83 HB3 ASN 11 HB1 ASN 11 14.797 -3.137 -1.430 84 HD21 ASN 11 HD21 ASN 11 17.079 -3.592 1.214 85 HD22 ASN 11 HD22 ASN 11 18.480 -3.726 0.212 86 H GLY 12 HN GLY 12 13.735 -0.522 1.530 87 HA2 GLY 12 HA2 GLY 12 14.705 1.658 1.729 88 HA3 GLY 12 HA1 GLY 12 15.734 1.286 0.357 89 H VAL 13 HN VAL 13 13.325 0.149 -1.103 90 HA VAL 13 HA VAL 13 12.497 2.770 -2.092 91 HB VAL 13 HB VAL 13 13.504 1.295 -3.746 92 HG11 VAL 13 HG11 VAL 13 12.859 -0.869 -2.867 93 HG12 VAL 13 HG12 VAL 13 12.345 -0.707 -4.547 94 HG13 VAL 13 HG13 VAL 13 11.168 -0.534 -3.244 95 HG21 VAL 13 HG21 VAL 13 11.896 2.933 -4.510 96 HG22 VAL 13 HG22 VAL 13 10.575 1.796 -4.233 97 HG23 VAL 13 HG23 VAL 13 11.777 1.466 -5.482 98 H ARG 14 HN ARG 14 10.511 3.479 -2.077 99 HA ARG 14 HA ARG 14 8.540 2.049 -0.532 100 HB2 ARG 14 HB2 ARG 14 8.946 4.451 -0.205 101 HB3 ARG 14 HB1 ARG 14 8.450 4.757 -1.864 102 HG2 ARG 14 HG2 ARG 14 6.207 3.911 -1.326 103 HG3 ARG 14 HG1 ARG 14 6.720 3.679 0.349 104 HD2 ARG 14 HD2 ARG 14 5.588 5.772 0.232 105 HD3 ARG 14 HD1 ARG 14 7.313 6.092 0.417 106 HE ARG 14 HE ARG 14 6.843 6.119 -2.297 107 HH11 ARG 14 HH11 ARG 14 5.680 7.883 0.487 108 HH12 ARG 14 HH12 ARG 14 5.400 9.348 -0.394 109 HH21 ARG 14 HH21 ARG 14 6.500 8.049 -3.461 110 HH22 ARG 14 HH22 ARG 14 5.879 9.449 -2.642 111 H VAL 15 HN VAL 15 7.515 0.467 -1.611 112 HA VAL 15 HA VAL 15 6.671 0.939 -4.366 113 HB VAL 15 HB VAL 15 7.755 -1.198 -3.881 114 HG11 VAL 15 HG11 VAL 15 6.634 -2.917 -2.550 115 HG12 VAL 15 HG12 VAL 15 5.414 -1.734 -2.074 116 HG13 VAL 15 HG13 VAL 15 7.093 -1.516 -1.580 117 HG21 VAL 15 HG21 VAL 15 6.096 -2.670 -4.925 118 HG22 VAL 15 HG22 VAL 15 6.161 -1.091 -5.707 119 HG23 VAL 15 HG23 VAL 15 4.843 -1.474 -4.600 120 H CYS 16 HN CYS 16 4.636 1.390 -4.920 121 HA CYS 16 HA CYS 16 2.592 1.249 -2.810 122 HB2 CYS 16 HB2 CYS 16 2.751 3.073 -5.213 123 HB3 CYS 16 HB1 CYS 16 1.409 3.022 -4.076 124 H HIS 17 HN HIS 17 0.795 0.122 -3.149 125 HA HIS 17 HA HIS 17 0.131 -0.756 -5.844 126 HB2 HIS 17 HB2 HIS 17 -0.280 -3.095 -5.008 127 HB3 HIS 17 HB1 HIS 17 1.404 -2.635 -5.138 128 HD1 HIS 17 HD1 HIS 17 -1.003 -4.085 -2.849 129 HD2 HIS 17 HD2 HIS 17 2.581 -2.003 -2.502 130 HE1 HIS 17 HE1 HIS 17 -0.202 -4.500 -0.505 131 HE2 HIS 17 HE2 HIS 17 2.066 -3.414 -0.395 132 H ARG 18 HN ARG 18 -2.009 -1.710 -5.958 133 HA ARG 18 HA ARG 18 -3.811 -0.145 -4.296 134 HB2 ARG 18 HB2 ARG 18 -4.313 -1.830 -6.756 135 HB3 ARG 18 HB1 ARG 18 -5.534 -0.863 -5.935 136 HG2 ARG 18 HG2 ARG 18 -4.229 1.160 -6.399 137 HG3 ARG 18 HG1 ARG 18 -3.032 0.181 -7.246 138 HD2 ARG 18 HD2 ARG 18 -4.721 -0.494 -8.865 139 HD3 ARG 18 HD1 ARG 18 -5.935 0.446 -8.000 140 HE ARG 18 HE ARG 18 -3.886 2.197 -8.612 141 HH11 ARG 18 HH11 ARG 18 -6.166 0.204 -10.349 142 HH12 ARG 18 HH12 ARG 18 -6.206 1.234 -11.741 143 HH21 ARG 18 HH21 ARG 18 -3.934 3.564 -10.440 144 HH22 ARG 18 HH22 ARG 18 -4.936 3.151 -11.792 145 H ARG 19 HN ARG 19 -4.950 -0.932 -2.679 146 HA ARG 19 HA ARG 19 -4.513 -3.507 -1.668 147 HB2 ARG 19 HB2 ARG 19 -5.913 -2.923 0.108 148 HB3 ARG 19 HB1 ARG 19 -5.273 -1.385 -0.436 149 HG2 ARG 19 HG2 ARG 19 -7.949 -2.429 -1.306 150 HG3 ARG 19 HG1 ARG 19 -7.726 -1.455 0.147 151 HD2 ARG 19 HD2 ARG 19 -8.306 0.141 -1.414 152 HD3 ARG 19 HD1 ARG 19 -6.546 0.204 -1.475 153 HE ARG 19 HE ARG 19 -7.475 -1.643 -3.384 154 HH11 ARG 19 HH11 ARG 19 -7.278 1.790 -2.774 155 HH12 ARG 19 HH12 ARG 19 -7.450 2.235 -4.437 156 HH21 ARG 19 HH21 ARG 19 -7.691 -1.070 -5.597 157 HH22 ARG 19 HH22 ARG 19 -7.686 0.606 -6.053 158 H ALA 20 HN ALA 20 -6.003 -5.228 -1.308 159 HA ALA 20 HA ALA 20 -7.438 -6.841 -1.965 160 HB1 ALA 20 HB1 ALA 20 -9.141 -5.141 -1.460 161 HB2 ALA 20 HB2 ALA 20 -9.635 -6.223 -2.762 162 HB3 ALA 20 HB3 ALA 20 -9.070 -4.594 -3.137 163 H ASN 21 HN ASN 21 -5.783 -7.612 -3.360 164 HA ASN 21 HA ASN 21 -5.124 -8.607 -5.278 165 HB2 ASN 21 HB2 ASN 21 -7.837 -7.687 -6.199 166 HB3 ASN 21 HB1 ASN 21 -6.735 -8.556 -7.261 167 HD21 ASN 21 HD21 ASN 21 -6.317 -10.709 -6.889 168 HD22 ASN 21 HD22 ASN 21 -7.277 -11.672 -5.820 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 -16.731 0.957 -1.119 2 H2 GLY 1 HT2 GLY 1 -17.095 0.233 -2.602 3 H3 GLY 1 HT3 GLY 1 -16.247 1.694 -2.560 4 HA2 GLY 1 HA1 GLY 1 -15.261 -0.906 -1.538 5 HA3 GLY 1 HA2 GLY 1 -14.762 -0.143 -3.040 6 H PHE 2 HN PHE 2 -13.067 -0.885 -0.829 7 HA PHE 2 HA PHE 2 -12.090 1.786 -0.102 8 HB2 PHE 2 HB2 PHE 2 -11.140 0.535 1.988 9 HB3 PHE 2 HB1 PHE 2 -12.807 1.089 1.972 10 HD1 PHE 2 HD1 PHE 2 -14.630 -0.473 2.004 11 HD2 PHE 2 HD2 PHE 2 -10.611 -1.843 1.748 12 HE1 PHE 2 HE1 PHE 2 -15.377 -2.762 2.497 13 HE2 PHE 2 HE2 PHE 2 -11.355 -4.131 2.246 14 HZ PHE 2 HZ PHE 2 -13.767 -4.569 2.691 15 H ALA 3 HN ALA 3 -10.820 1.583 -2.036 16 HA ALA 3 HA ALA 3 -8.629 -0.330 -1.968 17 HB1 ALA 3 HB1 ALA 3 -8.023 0.532 -4.134 18 HB2 ALA 3 HB2 ALA 3 -9.133 1.887 -3.950 19 HB3 ALA 3 HB3 ALA 3 -9.764 0.249 -4.107 20 H TRP 4 HN TRP 4 -7.370 0.273 -0.220 21 HA TRP 4 HA TRP 4 -6.672 3.007 0.274 22 HB2 TRP 4 HB2 TRP 4 -5.000 0.819 1.395 23 HB3 TRP 4 HB1 TRP 4 -5.581 2.281 2.160 24 HD1 TRP 4 HD1 TRP 4 -6.434 -1.361 1.648 25 HE1 TRP 4 HE1 TRP 4 -8.472 -1.950 3.087 26 HE3 TRP 4 HE3 TRP 4 -7.759 3.337 3.065 27 HZ2 TRP 4 HZ2 TRP 4 -10.422 -0.576 4.632 28 HZ3 TRP 4 HZ3 TRP 4 -9.728 3.636 4.522 29 HH2 TRP 4 HH2 TRP 4 -11.031 1.716 5.288 30 H ASN 5 HN ASN 5 -5.070 4.148 -0.661 31 HA ASN 5 HA ASN 5 -3.039 2.812 -2.205 32 HB2 ASN 5 HB2 ASN 5 -2.043 5.105 -2.442 33 HB3 ASN 5 HB1 ASN 5 -3.704 4.982 -3.003 34 HD21 ASN 5 HD21 ASN 5 -5.346 5.991 -1.826 35 HD22 ASN 5 HD22 ASN 5 -5.006 7.227 -0.662 36 H VAL 6 HN VAL 6 -1.753 1.567 -1.049 37 HA VAL 6 HA VAL 6 -0.631 2.651 1.431 38 HB VAL 6 HB VAL 6 -2.022 0.928 2.168 39 HG11 VAL 6 HG11 VAL 6 -1.027 -0.836 -0.053 40 HG12 VAL 6 HG12 VAL 6 -2.589 -0.016 -0.001 41 HG13 VAL 6 HG13 VAL 6 -2.214 -1.273 1.178 42 HG21 VAL 6 HG21 VAL 6 -0.553 -0.864 2.949 43 HG22 VAL 6 HG22 VAL 6 0.193 0.722 3.128 44 HG23 VAL 6 HG23 VAL 6 0.686 -0.338 1.808 45 H CYS 7 HN CYS 7 1.381 3.121 1.241 46 HA CYS 7 HA CYS 7 3.076 1.682 -0.670 47 HB2 CYS 7 HB2 CYS 7 3.694 4.247 0.810 48 HB3 CYS 7 HB1 CYS 7 4.555 3.582 -0.575 49 H VAL 8 HN VAL 8 4.923 0.618 -0.033 50 HA VAL 8 HA VAL 8 5.597 0.720 2.833 51 HB VAL 8 HB VAL 8 6.181 -1.726 2.718 52 HG11 VAL 8 HG11 VAL 8 3.285 -0.988 2.353 53 HG12 VAL 8 HG12 VAL 8 4.189 -0.976 3.865 54 HG13 VAL 8 HG13 VAL 8 3.874 -2.501 3.039 55 HG21 VAL 8 HG21 VAL 8 5.109 -3.094 1.006 56 HG22 VAL 8 HG22 VAL 8 6.250 -1.957 0.288 57 HG23 VAL 8 HG23 VAL 8 4.516 -1.640 0.205 58 H TYR 9 HN TYR 9 7.804 0.124 3.301 59 HA TYR 9 HA TYR 9 9.579 0.837 1.095 60 HB2 TYR 9 HB2 TYR 9 10.122 0.669 4.065 61 HB3 TYR 9 HB1 TYR 9 11.234 1.264 2.845 62 HD1 TYR 9 HD1 TYR 9 10.438 3.295 1.446 63 HD2 TYR 9 HD2 TYR 9 8.700 2.151 5.158 64 HE1 TYR 9 HE1 TYR 9 9.533 5.563 1.715 65 HE2 TYR 9 HE2 TYR 9 7.789 4.418 5.435 66 HH TYR 9 HH TYR 9 8.407 6.765 4.584 67 H ARG 10 HN ARG 10 10.008 -0.955 -0.029 68 HA ARG 10 HA ARG 10 10.669 -3.417 1.435 69 HB2 ARG 10 HB2 ARG 10 8.826 -3.583 -0.170 70 HB3 ARG 10 HB1 ARG 10 9.873 -2.992 -1.451 71 HG2 ARG 10 HG2 ARG 10 11.265 -4.983 -1.244 72 HG3 ARG 10 HG1 ARG 10 10.230 -5.576 0.055 73 HD2 ARG 10 HD2 ARG 10 8.352 -5.722 -1.444 74 HD3 ARG 10 HD1 ARG 10 9.281 -4.970 -2.738 75 HE ARG 10 HE ARG 10 10.777 -7.072 -2.338 76 HH11 ARG 10 HH11 ARG 10 7.283 -6.938 -2.270 77 HH12 ARG 10 HH12 ARG 10 7.085 -8.551 -2.871 78 HH21 ARG 10 HH21 ARG 10 10.522 -9.182 -3.150 79 HH22 ARG 10 HH22 ARG 10 8.928 -9.830 -3.370 80 H ASN 11 HN ASN 11 12.796 -3.283 1.877 81 HA ASN 11 HA ASN 11 15.044 -3.340 1.573 82 HB2 ASN 11 HB2 ASN 11 14.317 -3.845 -1.322 83 HB3 ASN 11 HB1 ASN 11 15.942 -3.981 -0.661 84 HD21 ASN 11 HD21 ASN 11 16.437 -5.690 0.707 85 HD22 ASN 11 HD22 ASN 11 15.432 -7.092 0.820 86 H GLY 12 HN GLY 12 13.572 -0.845 1.426 87 HA2 GLY 12 HA2 GLY 12 14.682 1.258 1.497 88 HA3 GLY 12 HA1 GLY 12 15.742 0.709 0.210 89 H VAL 13 HN VAL 13 13.081 -0.318 -1.119 90 HA VAL 13 HA VAL 13 12.654 2.256 -2.438 91 HB VAL 13 HB VAL 13 13.317 0.372 -3.874 92 HG11 VAL 13 HG11 VAL 13 10.635 -0.786 -3.149 93 HG12 VAL 13 HG12 VAL 13 12.214 -1.462 -2.742 94 HG13 VAL 13 HG13 VAL 13 11.696 -1.383 -4.426 95 HG21 VAL 13 HG21 VAL 13 11.639 0.735 -5.620 96 HG22 VAL 13 HG22 VAL 13 12.110 2.238 -4.829 97 HG23 VAL 13 HG23 VAL 13 10.574 1.472 -4.427 98 H ARG 14 HN ARG 14 10.789 3.267 -2.531 99 HA ARG 14 HA ARG 14 8.678 2.413 -0.732 100 HB2 ARG 14 HB2 ARG 14 9.409 4.724 -0.638 101 HB3 ARG 14 HB1 ARG 14 9.101 4.927 -2.354 102 HG2 ARG 14 HG2 ARG 14 6.677 4.483 -1.875 103 HG3 ARG 14 HG1 ARG 14 7.082 4.559 -0.158 104 HD2 ARG 14 HD2 ARG 14 7.656 6.755 -2.137 105 HD3 ARG 14 HD1 ARG 14 6.225 6.699 -1.109 106 HE ARG 14 HE ARG 14 7.669 6.940 0.804 107 HH11 ARG 14 HH11 ARG 14 9.170 7.536 -2.306 108 HH12 ARG 14 HH12 ARG 14 10.431 8.526 -1.650 109 HH21 ARG 14 HH21 ARG 14 9.349 8.227 1.674 110 HH22 ARG 14 HH22 ARG 14 10.538 8.916 0.617 111 H VAL 15 HN VAL 15 7.469 0.830 -1.650 112 HA VAL 15 HA VAL 15 6.550 1.235 -4.403 113 HB VAL 15 HB VAL 15 7.610 -0.912 -3.987 114 HG11 VAL 15 HG11 VAL 15 5.424 -1.414 -1.986 115 HG12 VAL 15 HG12 VAL 15 7.132 -1.164 -1.623 116 HG13 VAL 15 HG13 VAL 15 6.622 -2.590 -2.527 117 HG21 VAL 15 HG21 VAL 15 5.882 -0.838 -5.672 118 HG22 VAL 15 HG22 VAL 15 4.643 -1.137 -4.454 119 HG23 VAL 15 HG23 VAL 15 5.826 -2.387 -4.832 120 H CYS 16 HN CYS 16 4.550 1.843 -4.818 121 HA CYS 16 HA CYS 16 2.619 1.846 -2.601 122 HB2 CYS 16 HB2 CYS 16 2.796 3.625 -5.036 123 HB3 CYS 16 HB1 CYS 16 1.503 3.689 -3.844 124 H HIS 17 HN HIS 17 0.673 0.924 -2.821 125 HA HIS 17 HA HIS 17 -0.259 0.039 -5.422 126 HB2 HIS 17 HB2 HIS 17 -0.688 -2.285 -4.537 127 HB3 HIS 17 HB1 HIS 17 0.994 -1.902 -4.846 128 HD1 HIS 17 HD1 HIS 17 -1.367 -2.842 -2.151 129 HD2 HIS 17 HD2 HIS 17 2.602 -1.661 -2.503 130 HE1 HIS 17 HE1 HIS 17 -0.337 -3.253 0.102 131 HE2 HIS 17 HE2 HIS 17 2.112 -2.781 -0.224 132 H ARG 18 HN ARG 18 -2.446 -0.807 -5.325 133 HA ARG 18 HA ARG 18 -3.970 0.614 -3.256 134 HB2 ARG 18 HB2 ARG 18 -4.622 -0.229 -6.064 135 HB3 ARG 18 HB1 ARG 18 -5.911 0.107 -4.919 136 HG2 ARG 18 HG2 ARG 18 -5.518 2.062 -6.235 137 HG3 ARG 18 HG1 ARG 18 -4.971 2.375 -4.590 138 HD2 ARG 18 HD2 ARG 18 -3.381 3.262 -6.186 139 HD3 ARG 18 HD1 ARG 18 -2.661 1.930 -5.287 140 HE ARG 18 HE ARG 18 -3.793 0.962 -7.686 141 HH11 ARG 18 HH11 ARG 18 -1.097 2.859 -6.521 142 HH12 ARG 18 HH12 ARG 18 -0.060 2.447 -7.850 143 HH21 ARG 18 HH21 ARG 18 -2.432 0.407 -9.444 144 HH22 ARG 18 HH22 ARG 18 -0.828 1.063 -9.523 145 H ARG 19 HN ARG 19 -4.190 -0.737 -1.584 146 HA ARG 19 HA ARG 19 -4.603 -3.557 -1.901 147 HB2 ARG 19 HB2 ARG 19 -3.404 -2.698 0.037 148 HB3 ARG 19 HB1 ARG 19 -4.811 -1.769 0.527 149 HG2 ARG 19 HG2 ARG 19 -6.047 -3.874 0.871 150 HG3 ARG 19 HG1 ARG 19 -4.586 -4.770 0.451 151 HD2 ARG 19 HD2 ARG 19 -3.409 -3.756 2.322 152 HD3 ARG 19 HD1 ARG 19 -4.837 -2.808 2.725 153 HE ARG 19 HE ARG 19 -5.521 -5.535 2.716 154 HH11 ARG 19 HH11 ARG 19 -3.637 -3.234 4.553 155 HH12 ARG 19 HH12 ARG 19 -3.815 -4.088 6.052 156 HH21 ARG 19 HH21 ARG 19 -5.759 -6.670 4.696 157 HH22 ARG 19 HH22 ARG 19 -5.018 -6.042 6.132 158 H ALA 20 HN ALA 20 -6.450 -4.683 -1.864 159 HA ALA 20 HA ALA 20 -8.652 -5.177 -1.997 160 HB1 ALA 20 HB1 ALA 20 -9.006 -2.780 -0.201 161 HB2 ALA 20 HB2 ALA 20 -8.708 -4.435 0.328 162 HB3 ALA 20 HB3 ALA 20 -10.209 -4.034 -0.506 163 H ASN 21 HN ASN 21 -7.527 -3.671 -4.068 164 HA ASN 21 HA ASN 21 -9.233 -1.518 -4.823 165 HB2 ASN 21 HB2 ASN 21 -8.118 -1.633 -7.011 166 HB3 ASN 21 HB1 ASN 21 -6.951 -1.649 -5.697 167 HD21 ASN 21 HD21 ASN 21 -5.753 -3.498 -5.306 168 HD22 ASN 21 HD22 ASN 21 -5.671 -4.805 -6.440 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 -15.040 -2.729 -1.566 2 H2 GLY 1 HT2 GLY 1 -16.123 -2.006 -0.490 3 H3 GLY 1 HT3 GLY 1 -15.789 -3.656 -0.369 4 HA2 GLY 1 HA1 GLY 1 -14.640 -2.436 1.353 5 HA3 GLY 1 HA2 GLY 1 -13.511 -3.191 0.236 6 H PHE 2 HN PHE 2 -12.144 -1.475 1.311 7 HA PHE 2 HA PHE 2 -12.448 1.085 -0.120 8 HB2 PHE 2 HB2 PHE 2 -10.985 0.484 2.461 9 HB3 PHE 2 HB1 PHE 2 -11.012 2.050 1.659 10 HD1 PHE 2 HD1 PHE 2 -13.300 3.152 1.313 11 HD2 PHE 2 HD2 PHE 2 -12.629 -0.076 4.004 12 HE1 PHE 2 HE1 PHE 2 -15.348 3.751 2.535 13 HE2 PHE 2 HE2 PHE 2 -14.681 0.517 5.227 14 HZ PHE 2 HZ PHE 2 -16.042 2.431 4.493 15 H ALA 3 HN ALA 3 -10.932 1.666 -1.529 16 HA ALA 3 HA ALA 3 -8.589 -0.078 -1.804 17 HB1 ALA 3 HB1 ALA 3 -8.408 0.815 -4.079 18 HB2 ALA 3 HB2 ALA 3 -9.825 1.826 -3.786 19 HB3 ALA 3 HB3 ALA 3 -9.981 0.068 -3.788 20 H TRP 4 HN TRP 4 -7.334 0.909 -0.196 21 HA TRP 4 HA TRP 4 -6.492 3.651 -0.747 22 HB2 TRP 4 HB2 TRP 4 -4.964 2.769 1.387 23 HB3 TRP 4 HB1 TRP 4 -6.414 3.757 1.487 24 HD1 TRP 4 HD1 TRP 4 -5.661 -0.063 1.342 25 HE1 TRP 4 HE1 TRP 4 -7.219 -1.221 3.026 26 HE3 TRP 4 HE3 TRP 4 -8.218 4.020 2.981 27 HZ2 TRP 4 HZ2 TRP 4 -9.273 -0.490 4.822 28 HZ3 TRP 4 HZ3 TRP 4 -9.967 3.717 4.689 29 HH2 TRP 4 HH2 TRP 4 -10.483 1.506 5.586 30 H ASN 5 HN ASN 5 -4.564 4.151 -1.585 31 HA ASN 5 HA ASN 5 -2.888 2.072 -2.634 32 HB2 ASN 5 HB2 ASN 5 -3.208 4.229 -3.809 33 HB3 ASN 5 HB1 ASN 5 -2.367 5.044 -2.497 34 HD21 ASN 5 HD21 ASN 5 -0.759 5.805 -3.846 35 HD22 ASN 5 HD22 ASN 5 0.457 4.774 -4.515 36 H VAL 6 HN VAL 6 -1.710 0.953 -1.328 37 HA VAL 6 HA VAL 6 -0.726 2.084 1.167 38 HB VAL 6 HB VAL 6 -0.639 -0.788 0.226 39 HG11 VAL 6 HG11 VAL 6 -0.298 -1.311 2.591 40 HG12 VAL 6 HG12 VAL 6 -0.285 0.412 2.969 41 HG13 VAL 6 HG13 VAL 6 0.986 -0.279 1.962 42 HG21 VAL 6 HG21 VAL 6 -2.577 -1.147 1.705 43 HG22 VAL 6 HG22 VAL 6 -2.944 -0.064 0.361 44 HG23 VAL 6 HG23 VAL 6 -2.669 0.594 1.975 45 H CYS 7 HN CYS 7 1.115 3.148 0.840 46 HA CYS 7 HA CYS 7 3.225 1.937 -0.767 47 HB2 CYS 7 HB2 CYS 7 3.216 4.585 0.684 48 HB3 CYS 7 HB1 CYS 7 4.400 4.043 -0.496 49 H VAL 8 HN VAL 8 4.920 0.910 0.077 50 HA VAL 8 HA VAL 8 5.459 1.165 2.954 51 HB VAL 8 HB VAL 8 5.811 -1.309 3.097 52 HG11 VAL 8 HG11 VAL 8 3.434 -1.872 3.322 53 HG12 VAL 8 HG12 VAL 8 3.012 -0.398 2.453 54 HG13 VAL 8 HG13 VAL 8 3.813 -0.298 4.019 55 HG21 VAL 8 HG21 VAL 8 4.730 -2.747 1.434 56 HG22 VAL 8 HG22 VAL 8 6.031 -1.791 0.721 57 HG23 VAL 8 HG23 VAL 8 4.348 -1.328 0.458 58 H TYR 9 HN TYR 9 7.578 0.272 3.542 59 HA TYR 9 HA TYR 9 9.461 0.855 1.395 60 HB2 TYR 9 HB2 TYR 9 9.760 0.765 4.395 61 HB3 TYR 9 HB1 TYR 9 11.118 0.977 3.297 62 HD1 TYR 9 HD1 TYR 9 11.632 3.104 2.420 63 HD2 TYR 9 HD2 TYR 9 7.880 2.473 4.318 64 HE1 TYR 9 HE1 TYR 9 11.176 5.517 2.310 65 HE2 TYR 9 HE2 TYR 9 7.416 4.881 4.220 66 HH TYR 9 HH TYR 9 9.423 7.060 2.399 67 H ARG 10 HN ARG 10 10.017 -0.817 0.256 68 HA ARG 10 HA ARG 10 10.944 -3.238 1.630 69 HB2 ARG 10 HB2 ARG 10 8.671 -3.693 0.823 70 HB3 ARG 10 HB1 ARG 10 9.147 -3.204 -0.800 71 HG2 ARG 10 HG2 ARG 10 10.558 -5.070 -1.058 72 HG3 ARG 10 HG1 ARG 10 10.490 -5.454 0.663 73 HD2 ARG 10 HD2 ARG 10 8.128 -5.534 -1.195 74 HD3 ARG 10 HD1 ARG 10 9.101 -6.937 -0.765 75 HE ARG 10 HE ARG 10 8.051 -5.516 1.504 76 HH11 ARG 10 HH11 ARG 10 7.366 -7.965 -0.900 77 HH12 ARG 10 HH12 ARG 10 6.231 -8.813 0.102 78 HH21 ARG 10 HH21 ARG 10 6.532 -6.617 2.816 79 HH22 ARG 10 HH22 ARG 10 5.749 -8.039 2.205 80 H ASN 11 HN ASN 11 12.925 -3.732 1.006 81 HA ASN 11 HA ASN 11 14.871 -3.813 -0.138 82 HB2 ASN 11 HB2 ASN 11 13.040 -3.353 -2.492 83 HB3 ASN 11 HB1 ASN 11 14.779 -3.549 -2.671 84 HD21 ASN 11 HD21 ASN 11 15.068 -5.487 -0.578 85 HD22 ASN 11 HD22 ASN 11 14.377 -6.959 -1.157 86 H GLY 12 HN GLY 12 13.837 -1.354 1.039 87 HA2 GLY 12 HA2 GLY 12 14.904 0.658 1.423 88 HA3 GLY 12 HA1 GLY 12 15.964 0.318 0.067 89 H VAL 13 HN VAL 13 12.591 0.123 -0.585 90 HA VAL 13 HA VAL 13 12.568 2.884 -1.573 91 HB VAL 13 HB VAL 13 13.211 1.315 -3.421 92 HG11 VAL 13 HG11 VAL 13 11.448 -0.058 -4.437 93 HG12 VAL 13 HG12 VAL 13 10.403 0.304 -3.065 94 HG13 VAL 13 HG13 VAL 13 11.893 -0.608 -2.824 95 HG21 VAL 13 HG21 VAL 13 11.698 2.288 -5.073 96 HG22 VAL 13 HG22 VAL 13 12.227 3.488 -3.894 97 HG23 VAL 13 HG23 VAL 13 10.613 2.792 -3.778 98 H ARG 14 HN ARG 14 10.535 3.807 -1.791 99 HA ARG 14 HA ARG 14 8.474 2.620 -0.124 100 HB2 ARG 14 HB2 ARG 14 9.096 5.004 0.126 101 HB3 ARG 14 HB1 ARG 14 8.588 5.301 -1.526 102 HG2 ARG 14 HG2 ARG 14 6.296 4.777 -0.954 103 HG3 ARG 14 HG1 ARG 14 6.782 4.375 0.696 104 HD2 ARG 14 HD2 ARG 14 7.532 6.667 1.046 105 HD3 ARG 14 HD1 ARG 14 7.106 7.074 -0.612 106 HE ARG 14 HE ARG 14 4.797 6.832 -0.037 107 HH11 ARG 14 HH11 ARG 14 7.003 6.776 2.691 108 HH12 ARG 14 HH12 ARG 14 5.777 7.180 3.849 109 HH21 ARG 14 HH21 ARG 14 3.192 7.389 1.486 110 HH22 ARG 14 HH22 ARG 14 3.613 7.539 3.165 111 H VAL 15 HN VAL 15 7.697 0.934 -1.361 112 HA VAL 15 HA VAL 15 6.812 1.421 -4.091 113 HB VAL 15 HB VAL 15 7.996 -0.667 -3.557 114 HG11 VAL 15 HG11 VAL 15 5.603 -1.320 -1.858 115 HG12 VAL 15 HG12 VAL 15 7.247 -1.025 -1.289 116 HG13 VAL 15 HG13 VAL 15 6.896 -2.442 -2.280 117 HG21 VAL 15 HG21 VAL 15 5.135 -1.104 -4.392 118 HG22 VAL 15 HG22 VAL 15 6.477 -2.212 -4.685 119 HG23 VAL 15 HG23 VAL 15 6.462 -0.623 -5.447 120 H CYS 16 HN CYS 16 4.701 1.519 -4.750 121 HA CYS 16 HA CYS 16 2.713 1.591 -2.581 122 HB2 CYS 16 HB2 CYS 16 2.762 3.189 -5.145 123 HB3 CYS 16 HB1 CYS 16 1.501 3.260 -3.921 124 H HIS 17 HN HIS 17 0.878 0.480 -2.772 125 HA HIS 17 HA HIS 17 0.004 -0.543 -5.333 126 HB2 HIS 17 HB2 HIS 17 -0.284 -2.879 -4.222 127 HB3 HIS 17 HB1 HIS 17 1.262 -2.435 -4.917 128 HD1 HIS 17 HD1 HIS 17 -0.449 -2.813 -1.574 129 HD2 HIS 17 HD2 HIS 17 3.380 -2.476 -3.152 130 HE1 HIS 17 HE1 HIS 17 1.113 -3.266 0.342 131 HE2 HIS 17 HE2 HIS 17 3.402 -3.298 -0.699 132 H ARG 18 HN ARG 18 -2.141 -1.095 -5.373 133 HA ARG 18 HA ARG 18 -3.648 0.295 -3.317 134 HB2 ARG 18 HB2 ARG 18 -4.381 -0.795 -6.023 135 HB3 ARG 18 HB1 ARG 18 -5.607 -0.233 -4.898 136 HG2 ARG 18 HG2 ARG 18 -5.145 1.540 -6.403 137 HG3 ARG 18 HG1 ARG 18 -4.439 1.974 -4.849 138 HD2 ARG 18 HD2 ARG 18 -2.241 1.214 -5.669 139 HD3 ARG 18 HD1 ARG 18 -2.969 0.855 -7.233 140 HE ARG 18 HE ARG 18 -3.566 3.495 -6.700 141 HH11 ARG 18 HH11 ARG 18 -0.689 1.559 -7.146 142 HH12 ARG 18 HH12 ARG 18 0.262 2.873 -7.753 143 HH21 ARG 18 HH21 ARG 18 -2.315 5.235 -7.507 144 HH22 ARG 18 HH22 ARG 18 -0.661 4.968 -7.955 145 H ARG 19 HN ARG 19 -4.445 -0.696 -1.632 146 HA ARG 19 HA ARG 19 -4.858 -3.581 -1.709 147 HB2 ARG 19 HB2 ARG 19 -3.597 -2.630 0.160 148 HB3 ARG 19 HB1 ARG 19 -4.974 -1.634 0.592 149 HG2 ARG 19 HG2 ARG 19 -6.280 -3.659 1.043 150 HG3 ARG 19 HG1 ARG 19 -4.862 -4.636 0.659 151 HD2 ARG 19 HD2 ARG 19 -3.634 -3.497 2.477 152 HD3 ARG 19 HD1 ARG 19 -5.108 -2.622 2.886 153 HE ARG 19 HE ARG 19 -5.456 -5.470 2.857 154 HH11 ARG 19 HH11 ARG 19 -4.427 -2.746 4.803 155 HH12 ARG 19 HH12 ARG 19 -4.726 -3.552 6.310 156 HH21 ARG 19 HH21 ARG 19 -5.871 -6.517 4.829 157 HH22 ARG 19 HH22 ARG 19 -5.550 -5.700 6.325 158 H ALA 20 HN ALA 20 -6.807 -4.448 -1.907 159 HA ALA 20 HA ALA 20 -9.143 -2.691 -1.854 160 HB1 ALA 20 HB1 ALA 20 -8.900 -5.532 -2.847 161 HB2 ALA 20 HB2 ALA 20 -8.791 -4.086 -3.849 162 HB3 ALA 20 HB3 ALA 20 -10.302 -4.477 -3.031 163 H ASN 21 HN ASN 21 -9.035 -2.570 0.481 164 HA ASN 21 HA ASN 21 -9.495 -4.989 2.004 165 HB2 ASN 21 HB2 ASN 21 -8.064 -3.191 2.905 166 HB3 ASN 21 HB1 ASN 21 -9.440 -2.096 2.894 167 HD21 ASN 21 HD21 ASN 21 -11.073 -2.362 4.402 168 HD22 ASN 21 HD22 ASN 21 -10.862 -3.322 5.825 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 -15.038 2.825 -3.847 2 H2 GLY 1 HT2 GLY 1 -13.613 1.921 -3.906 3 H3 GLY 1 HT3 GLY 1 -13.723 3.256 -2.875 4 HA2 GLY 1 HA1 GLY 1 -15.421 2.148 -1.569 5 HA3 GLY 1 HA2 GLY 1 -15.316 0.766 -2.648 6 H PHE 2 HN PHE 2 -13.456 2.737 -0.389 7 HA PHE 2 HA PHE 2 -11.825 2.258 1.098 8 HB2 PHE 2 HB2 PHE 2 -12.900 -0.554 0.841 9 HB3 PHE 2 HB1 PHE 2 -11.777 -0.014 2.087 10 HD1 PHE 2 HD1 PHE 2 -12.559 1.920 3.590 11 HD2 PHE 2 HD2 PHE 2 -15.178 -0.416 1.189 12 HE1 PHE 2 HE1 PHE 2 -14.453 2.597 5.006 13 HE2 PHE 2 HE2 PHE 2 -17.078 0.258 2.596 14 HZ PHE 2 HZ PHE 2 -16.717 1.768 4.508 15 H ALA 3 HN ALA 3 -11.067 2.341 -1.610 16 HA ALA 3 HA ALA 3 -9.016 0.282 -1.874 17 HB1 ALA 3 HB1 ALA 3 -8.592 1.241 -4.072 18 HB2 ALA 3 HB2 ALA 3 -9.725 2.550 -3.734 19 HB3 ALA 3 HB3 ALA 3 -10.310 0.892 -3.870 20 H TRP 4 HN TRP 4 -7.430 0.724 -0.420 21 HA TRP 4 HA TRP 4 -6.592 3.469 0.003 22 HB2 TRP 4 HB2 TRP 4 -5.196 1.147 1.249 23 HB3 TRP 4 HB1 TRP 4 -5.476 2.747 1.898 24 HD1 TRP 4 HD1 TRP 4 -6.787 -0.718 2.013 25 HE1 TRP 4 HE1 TRP 4 -8.941 -0.793 3.401 26 HE3 TRP 4 HE3 TRP 4 -7.657 4.268 2.332 27 HZ2 TRP 4 HZ2 TRP 4 -10.797 1.061 4.496 28 HZ3 TRP 4 HZ3 TRP 4 -9.642 5.062 3.566 29 HH2 TRP 4 HH2 TRP 4 -11.177 3.486 4.625 30 H ASN 5 HN ASN 5 -4.933 4.384 -0.991 31 HA ASN 5 HA ASN 5 -2.941 2.791 -2.360 32 HB2 ASN 5 HB2 ASN 5 -3.141 5.773 -1.841 33 HB3 ASN 5 HB1 ASN 5 -1.814 5.024 -2.722 34 HD21 ASN 5 HD21 ASN 5 -2.256 6.149 -4.593 35 HD22 ASN 5 HD22 ASN 5 -3.632 5.807 -5.578 36 H VAL 6 HN VAL 6 -1.774 1.630 -0.948 37 HA VAL 6 HA VAL 6 -0.629 3.030 1.352 38 HB VAL 6 HB VAL 6 -2.202 1.627 2.361 39 HG11 VAL 6 HG11 VAL 6 -2.591 -0.713 1.788 40 HG12 VAL 6 HG12 VAL 6 -1.385 -0.598 0.503 41 HG13 VAL 6 HG13 VAL 6 -2.869 0.351 0.408 42 HG21 VAL 6 HG21 VAL 6 -0.029 1.378 3.403 43 HG22 VAL 6 HG22 VAL 6 0.368 0.053 2.309 44 HG23 VAL 6 HG23 VAL 6 -0.926 -0.138 3.491 45 H CYS 7 HN CYS 7 1.456 3.068 1.381 46 HA CYS 7 HA CYS 7 2.908 1.433 -0.569 47 HB2 CYS 7 HB2 CYS 7 3.835 3.972 0.776 48 HB3 CYS 7 HB1 CYS 7 4.564 3.177 -0.615 49 H VAL 8 HN VAL 8 4.609 0.200 -0.027 50 HA VAL 8 HA VAL 8 5.388 0.114 2.814 51 HB VAL 8 HB VAL 8 6.011 -2.279 2.415 52 HG11 VAL 8 HG11 VAL 8 3.960 -1.698 3.567 53 HG12 VAL 8 HG12 VAL 8 3.720 -3.132 2.567 54 HG13 VAL 8 HG13 VAL 8 3.111 -1.567 2.028 55 HG21 VAL 8 HG21 VAL 8 4.992 -3.441 0.499 56 HG22 VAL 8 HG22 VAL 8 6.187 -2.245 -0.009 57 HG23 VAL 8 HG23 VAL 8 4.465 -1.887 -0.148 58 H TYR 9 HN TYR 9 7.611 -0.485 3.211 59 HA TYR 9 HA TYR 9 9.355 0.552 1.113 60 HB2 TYR 9 HB2 TYR 9 9.736 0.236 4.090 61 HB3 TYR 9 HB1 TYR 9 11.024 0.722 2.996 62 HD1 TYR 9 HD1 TYR 9 10.553 2.815 1.517 63 HD2 TYR 9 HD2 TYR 9 8.353 1.840 5.023 64 HE1 TYR 9 HE1 TYR 9 9.820 5.156 1.702 65 HE2 TYR 9 HE2 TYR 9 7.614 4.174 5.219 66 HH TYR 9 HH TYR 9 7.953 6.427 2.719 67 H ARG 10 HN ARG 10 10.142 -0.941 -0.158 68 HA ARG 10 HA ARG 10 11.118 -3.447 1.044 69 HB2 ARG 10 HB2 ARG 10 9.269 -3.842 -0.507 70 HB3 ARG 10 HB1 ARG 10 10.101 -2.935 -1.761 71 HG2 ARG 10 HG2 ARG 10 10.339 -5.273 -2.203 72 HG3 ARG 10 HG1 ARG 10 11.906 -4.623 -1.725 73 HD2 ARG 10 HD2 ARG 10 11.429 -5.440 0.599 74 HD3 ARG 10 HD1 ARG 10 10.010 -6.258 -0.052 75 HE ARG 10 HE ARG 10 12.664 -6.825 -1.172 76 HH11 ARG 10 HH11 ARG 10 9.825 -7.914 0.581 77 HH12 ARG 10 HH12 ARG 10 10.251 -9.591 0.471 78 HH21 ARG 10 HH21 ARG 10 13.210 -9.025 -1.321 79 HH22 ARG 10 HH22 ARG 10 12.176 -10.222 -0.613 80 H ASN 11 HN ASN 11 13.238 -3.328 1.275 81 HA ASN 11 HA ASN 11 15.446 -3.009 0.881 82 HB2 ASN 11 HB2 ASN 11 14.579 -2.834 -2.012 83 HB3 ASN 11 HB1 ASN 11 16.248 -2.952 -1.470 84 HD21 ASN 11 HD21 ASN 11 16.983 -4.888 -0.586 85 HD22 ASN 11 HD22 ASN 11 16.133 -6.378 -0.822 86 H GLY 12 HN GLY 12 13.719 -0.779 1.483 87 HA2 GLY 12 HA2 GLY 12 14.220 1.458 1.901 88 HA3 GLY 12 HA1 GLY 12 15.552 1.345 0.760 89 H VAL 13 HN VAL 13 13.070 0.041 -0.857 90 HA VAL 13 HA VAL 13 12.563 2.565 -2.251 91 HB VAL 13 HB VAL 13 11.877 -0.229 -3.174 92 HG11 VAL 13 HG11 VAL 13 12.108 2.379 -4.667 93 HG12 VAL 13 HG12 VAL 13 10.614 1.520 -4.287 94 HG13 VAL 13 HG13 VAL 13 11.784 0.807 -5.398 95 HG21 VAL 13 HG21 VAL 13 14.284 -0.063 -2.832 96 HG22 VAL 13 HG22 VAL 13 14.331 1.410 -3.802 97 HG23 VAL 13 HG23 VAL 13 13.902 -0.125 -4.553 98 H ARG 14 HN ARG 14 10.623 3.480 -2.329 99 HA ARG 14 HA ARG 14 8.532 2.514 -0.620 100 HB2 ARG 14 HB2 ARG 14 9.130 4.892 -0.763 101 HB3 ARG 14 HB1 ARG 14 8.684 4.906 -2.461 102 HG2 ARG 14 HG2 ARG 14 6.380 4.535 -1.917 103 HG3 ARG 14 HG1 ARG 14 6.779 4.317 -0.209 104 HD2 ARG 14 HD2 ARG 14 5.936 6.544 -0.524 105 HD3 ARG 14 HD1 ARG 14 7.661 6.618 -0.170 106 HE ARG 14 HE ARG 14 7.300 6.583 -2.955 107 HH11 ARG 14 HH11 ARG 14 6.872 8.688 -0.192 108 HH12 ARG 14 HH12 ARG 14 6.994 10.147 -1.124 109 HH21 ARG 14 HH21 ARG 14 7.478 8.511 -4.185 110 HH22 ARG 14 HH22 ARG 14 7.332 10.047 -3.389 111 H VAL 15 HN VAL 15 7.549 0.732 -1.450 112 HA VAL 15 HA VAL 15 6.655 0.726 -4.238 113 HB VAL 15 HB VAL 15 6.127 -1.448 -2.231 114 HG11 VAL 15 HG11 VAL 15 6.479 -1.466 -5.227 115 HG12 VAL 15 HG12 VAL 15 4.948 -1.585 -4.359 116 HG13 VAL 15 HG13 VAL 15 6.143 -2.875 -4.223 117 HG21 VAL 15 HG21 VAL 15 8.469 -0.976 -2.098 118 HG22 VAL 15 HG22 VAL 15 8.612 -1.034 -3.852 119 HG23 VAL 15 HG23 VAL 15 8.217 -2.497 -2.951 120 H CYS 16 HN CYS 16 4.721 1.563 -4.669 121 HA CYS 16 HA CYS 16 2.803 1.553 -2.491 122 HB2 CYS 16 HB2 CYS 16 2.876 3.239 -4.997 123 HB3 CYS 16 HB1 CYS 16 1.592 3.308 -3.796 124 H HIS 17 HN HIS 17 0.846 0.600 -2.656 125 HA HIS 17 HA HIS 17 0.128 -0.688 -5.178 126 HB2 HIS 17 HB2 HIS 17 -0.387 -2.814 -3.950 127 HB3 HIS 17 HB1 HIS 17 1.322 -2.446 -4.080 128 HD1 HIS 17 HD1 HIS 17 -1.466 -2.710 -1.610 129 HD2 HIS 17 HD2 HIS 17 2.624 -1.982 -1.634 130 HE1 HIS 17 HE1 HIS 17 -0.756 -2.788 0.794 131 HE2 HIS 17 HE2 HIS 17 1.745 -2.563 0.731 132 H ARG 18 HN ARG 18 -2.062 -1.550 -5.150 133 HA ARG 18 HA ARG 18 -3.774 0.224 -3.553 134 HB2 ARG 18 HB2 ARG 18 -5.529 -0.312 -5.270 135 HB3 ARG 18 HB1 ARG 18 -4.139 0.570 -5.879 136 HG2 ARG 18 HG2 ARG 18 -3.220 -1.558 -6.741 137 HG3 ARG 18 HG1 ARG 18 -4.699 -2.367 -6.218 138 HD2 ARG 18 HD2 ARG 18 -6.016 -0.937 -7.682 139 HD3 ARG 18 HD1 ARG 18 -4.559 -0.077 -8.174 140 HE ARG 18 HE ARG 18 -4.566 -2.941 -8.644 141 HH11 ARG 18 HH11 ARG 18 -5.130 0.255 -9.958 142 HH12 ARG 18 HH12 ARG 18 -4.985 -0.259 -11.607 143 HH21 ARG 18 HH21 ARG 18 -4.377 -3.620 -10.818 144 HH22 ARG 18 HH22 ARG 18 -4.554 -2.462 -12.098 145 H ARG 19 HN ARG 19 -4.675 -0.626 -1.843 146 HA ARG 19 HA ARG 19 -4.655 -3.448 -1.369 147 HB2 ARG 19 HB2 ARG 19 -4.332 -1.727 0.407 148 HB3 ARG 19 HB1 ARG 19 -6.016 -1.265 0.218 149 HG2 ARG 19 HG2 ARG 19 -6.267 -2.677 1.960 150 HG3 ARG 19 HG1 ARG 19 -6.353 -3.872 0.670 151 HD2 ARG 19 HD2 ARG 19 -3.856 -3.129 2.193 152 HD3 ARG 19 HD1 ARG 19 -4.855 -4.545 2.515 153 HE ARG 19 HE ARG 19 -4.226 -4.870 -0.077 154 HH11 ARG 19 HH11 ARG 19 -2.275 -4.165 2.740 155 HH12 ARG 19 HH12 ARG 19 -0.864 -4.960 2.122 156 HH21 ARG 19 HH21 ARG 19 -2.366 -5.922 -0.897 157 HH22 ARG 19 HH22 ARG 19 -0.917 -5.969 0.058 158 H ALA 20 HN ALA 20 -6.180 -4.890 -1.814 159 HA ALA 20 HA ALA 20 -8.942 -3.954 -2.212 160 HB1 ALA 20 HB1 ALA 20 -7.941 -4.476 -4.386 161 HB2 ALA 20 HB2 ALA 20 -9.225 -5.617 -3.984 162 HB3 ALA 20 HB3 ALA 20 -7.536 -6.094 -3.814 163 H ASN 21 HN ASN 21 -8.903 -4.534 0.136 164 HA ASN 21 HA ASN 21 -8.993 -7.429 0.608 165 HB2 ASN 21 HB2 ASN 21 -7.434 -6.148 2.024 166 HB3 ASN 21 HB1 ASN 21 -8.769 -5.151 2.587 167 HD21 ASN 21 HD21 ASN 21 -8.958 -8.619 2.055 168 HD22 ASN 21 HD22 ASN 21 -9.152 -9.043 3.719 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 -16.366 1.287 -1.059 2 H2 GLY 1 HT2 GLY 1 -16.417 -0.402 -1.071 3 H3 GLY 1 HT3 GLY 1 -17.159 0.476 -2.312 4 HA2 GLY 1 HA1 GLY 1 -15.070 -0.460 -3.071 5 HA3 GLY 1 HA2 GLY 1 -15.037 1.294 -3.077 6 H PHE 2 HN PHE 2 -13.032 -1.054 -2.641 7 HA PHE 2 HA PHE 2 -11.862 -0.140 -0.112 8 HB2 PHE 2 HB2 PHE 2 -10.942 -2.424 -1.870 9 HB3 PHE 2 HB1 PHE 2 -10.451 -2.096 -0.212 10 HD1 PHE 2 HD1 PHE 2 -12.645 -3.917 -2.293 11 HD2 PHE 2 HD2 PHE 2 -12.342 -2.160 1.570 12 HE1 PHE 2 HE1 PHE 2 -14.440 -5.391 -1.486 13 HE2 PHE 2 HE2 PHE 2 -14.136 -3.631 2.384 14 HZ PHE 2 HZ PHE 2 -15.189 -5.250 0.856 15 H ALA 3 HN ALA 3 -11.357 1.944 -1.230 16 HA ALA 3 HA ALA 3 -9.028 1.678 -3.010 17 HB1 ALA 3 HB1 ALA 3 -10.902 4.016 -2.720 18 HB2 ALA 3 HB2 ALA 3 -10.923 2.830 -4.025 19 HB3 ALA 3 HB3 ALA 3 -9.536 3.905 -3.831 20 H TRP 4 HN TRP 4 -7.564 1.443 -1.253 21 HA TRP 4 HA TRP 4 -6.703 4.070 -0.379 22 HB2 TRP 4 HB2 TRP 4 -5.971 2.710 1.794 23 HB3 TRP 4 HB1 TRP 4 -7.493 3.571 1.693 24 HD1 TRP 4 HD1 TRP 4 -6.062 0.006 1.547 25 HE1 TRP 4 HE1 TRP 4 -7.955 -1.649 2.104 26 HE3 TRP 4 HE3 TRP 4 -9.931 3.287 1.729 27 HZ2 TRP 4 HZ2 TRP 4 -10.740 -1.555 2.574 28 HZ3 TRP 4 HZ3 TRP 4 -12.193 2.446 2.239 29 HH2 TRP 4 HH2 TRP 4 -12.587 0.071 2.653 30 H ASN 5 HN ASN 5 -4.758 4.373 -1.086 31 HA ASN 5 HA ASN 5 -3.074 2.195 -1.915 32 HB2 ASN 5 HB2 ASN 5 -2.595 5.180 -1.790 33 HB3 ASN 5 HB1 ASN 5 -1.407 4.029 -2.389 34 HD21 ASN 5 HD21 ASN 5 -4.338 5.711 -3.037 35 HD22 ASN 5 HD22 ASN 5 -4.499 5.226 -4.690 36 H VAL 6 HN VAL 6 -1.269 1.433 -0.940 37 HA VAL 6 HA VAL 6 -0.519 2.602 1.642 38 HB VAL 6 HB VAL 6 -1.851 0.770 2.330 39 HG11 VAL 6 HG11 VAL 6 -0.394 -0.941 0.335 40 HG12 VAL 6 HG12 VAL 6 -2.068 -0.396 0.227 41 HG13 VAL 6 HG13 VAL 6 -1.585 -1.516 1.503 42 HG21 VAL 6 HG21 VAL 6 -0.258 -0.750 3.405 43 HG22 VAL 6 HG22 VAL 6 0.256 0.934 3.527 44 HG23 VAL 6 HG23 VAL 6 1.021 -0.140 2.356 45 H CYS 7 HN CYS 7 1.500 3.216 1.480 46 HA CYS 7 HA CYS 7 3.269 1.855 -0.417 47 HB2 CYS 7 HB2 CYS 7 3.862 4.438 1.010 48 HB3 CYS 7 HB1 CYS 7 4.569 3.833 -0.478 49 H VAL 8 HN VAL 8 5.023 0.715 0.260 50 HA VAL 8 HA VAL 8 5.844 1.027 3.072 51 HB VAL 8 HB VAL 8 6.301 -1.458 3.126 52 HG11 VAL 8 HG11 VAL 8 3.985 -2.048 3.681 53 HG12 VAL 8 HG12 VAL 8 3.431 -0.565 2.901 54 HG13 VAL 8 HG13 VAL 8 4.445 -0.478 4.341 55 HG21 VAL 8 HG21 VAL 8 4.470 -1.454 0.728 56 HG22 VAL 8 HG22 VAL 8 5.011 -2.882 1.611 57 HG23 VAL 8 HG23 VAL 8 6.177 -1.895 0.731 58 H TYR 9 HN TYR 9 8.030 0.503 3.499 59 HA TYR 9 HA TYR 9 9.725 0.953 1.172 60 HB2 TYR 9 HB2 TYR 9 10.304 1.092 4.138 61 HB3 TYR 9 HB1 TYR 9 11.485 1.409 2.876 62 HD1 TYR 9 HD1 TYR 9 11.379 3.447 1.553 63 HD2 TYR 9 HD2 TYR 9 8.514 2.664 4.597 64 HE1 TYR 9 HE1 TYR 9 10.675 5.800 1.486 65 HE2 TYR 9 HE2 TYR 9 7.799 5.017 4.534 66 HH TYR 9 HH TYR 9 8.738 7.157 2.049 67 H ARG 10 HN ARG 10 10.281 -0.846 0.167 68 HA ARG 10 HA ARG 10 11.274 -3.089 1.797 69 HB2 ARG 10 HB2 ARG 10 9.518 -3.200 -0.656 70 HB3 ARG 10 HB1 ARG 10 10.405 -4.592 -0.051 71 HG2 ARG 10 HG2 ARG 10 9.192 -4.475 2.050 72 HG3 ARG 10 HG1 ARG 10 8.326 -3.046 1.483 73 HD2 ARG 10 HD2 ARG 10 7.246 -4.302 -0.239 74 HD3 ARG 10 HD1 ARG 10 8.248 -5.714 0.087 75 HE ARG 10 HE ARG 10 6.906 -5.110 2.441 76 HH11 ARG 10 HH11 ARG 10 6.078 -6.070 -0.821 77 HH12 ARG 10 HH12 ARG 10 4.680 -6.973 -0.334 78 HH21 ARG 10 HH21 ARG 10 5.060 -6.293 3.087 79 HH22 ARG 10 HH22 ARG 10 4.098 -7.099 1.888 80 H ASN 11 HN ASN 11 13.319 -3.484 1.410 81 HA ASN 11 HA ASN 11 15.366 -3.593 0.438 82 HB2 ASN 11 HB2 ASN 11 14.084 -5.037 -1.184 83 HB3 ASN 11 HB1 ASN 11 13.889 -3.619 -2.203 84 HD21 ASN 11 HD21 ASN 11 16.796 -4.339 -0.365 85 HD22 ASN 11 HD22 ASN 11 17.798 -4.651 -1.736 86 H GLY 12 HN GLY 12 14.028 -1.021 0.924 87 HA2 GLY 12 HA2 GLY 12 15.184 1.039 0.933 88 HA3 GLY 12 HA1 GLY 12 15.984 0.571 -0.557 89 H VAL 13 HN VAL 13 13.064 -0.247 -1.428 90 HA VAL 13 HA VAL 13 12.560 2.434 -2.508 91 HB VAL 13 HB VAL 13 12.987 0.619 -4.141 92 HG11 VAL 13 HG11 VAL 13 10.363 -0.481 -3.158 93 HG12 VAL 13 HG12 VAL 13 11.948 -1.247 -3.005 94 HG13 VAL 13 HG13 VAL 13 11.224 -1.027 -4.598 95 HG21 VAL 13 HG21 VAL 13 11.777 2.580 -4.842 96 HG22 VAL 13 HG22 VAL 13 10.260 1.887 -4.263 97 HG23 VAL 13 HG23 VAL 13 11.099 1.155 -5.632 98 H ARG 14 HN ARG 14 10.617 3.396 -2.431 99 HA ARG 14 HA ARG 14 8.710 2.402 -0.482 100 HB2 ARG 14 HB2 ARG 14 9.313 4.758 -0.368 101 HB3 ARG 14 HB1 ARG 14 8.844 4.991 -2.044 102 HG2 ARG 14 HG2 ARG 14 6.528 4.585 -1.494 103 HG3 ARG 14 HG1 ARG 14 6.964 4.220 0.178 104 HD2 ARG 14 HD2 ARG 14 7.679 6.475 0.553 105 HD3 ARG 14 HD1 ARG 14 7.512 6.866 -1.157 106 HE ARG 14 HE ARG 14 5.095 6.601 -0.872 107 HH11 ARG 14 HH11 ARG 14 7.018 7.050 2.026 108 HH12 ARG 14 HH12 ARG 14 5.698 7.704 2.945 109 HH21 ARG 14 HH21 ARG 14 3.370 7.489 0.339 110 HH22 ARG 14 HH22 ARG 14 3.633 7.954 1.989 111 H VAL 15 HN VAL 15 7.721 0.695 -1.451 112 HA VAL 15 HA VAL 15 6.561 1.023 -4.103 113 HB VAL 15 HB VAL 15 7.748 -1.063 -3.591 114 HG11 VAL 15 HG11 VAL 15 5.585 -1.546 -1.566 115 HG12 VAL 15 HG12 VAL 15 7.293 -1.262 -1.230 116 HG13 VAL 15 HG13 VAL 15 6.790 -2.724 -2.080 117 HG21 VAL 15 HG21 VAL 15 6.022 -1.120 -5.280 118 HG22 VAL 15 HG22 VAL 15 4.797 -1.425 -4.051 119 HG23 VAL 15 HG23 VAL 15 6.032 -2.639 -4.383 120 H CYS 16 HN CYS 16 4.434 1.375 -4.462 121 HA CYS 16 HA CYS 16 2.665 1.198 -2.121 122 HB2 CYS 16 HB2 CYS 16 3.400 3.562 -3.151 123 HB3 CYS 16 HB1 CYS 16 2.024 3.212 -4.190 124 H HIS 17 HN HIS 17 0.537 0.655 -2.497 125 HA HIS 17 HA HIS 17 -0.299 -0.206 -5.119 126 HB2 HIS 17 HB2 HIS 17 -0.771 -2.563 -4.208 127 HB3 HIS 17 HB1 HIS 17 0.881 -2.184 -4.666 128 HD1 HIS 17 HD1 HIS 17 -1.264 -2.955 -1.705 129 HD2 HIS 17 HD2 HIS 17 2.717 -2.100 -2.538 130 HE1 HIS 17 HE1 HIS 17 -0.014 -3.424 0.423 131 HE2 HIS 17 HE2 HIS 17 2.414 -3.121 -0.178 132 H ARG 18 HN ARG 18 -2.497 -1.062 -5.102 133 HA ARG 18 HA ARG 18 -4.100 0.399 -3.149 134 HB2 ARG 18 HB2 ARG 18 -4.878 -0.987 -5.724 135 HB3 ARG 18 HB1 ARG 18 -6.009 -0.157 -4.668 136 HG2 ARG 18 HG2 ARG 18 -5.572 1.384 -6.348 137 HG3 ARG 18 HG1 ARG 18 -4.531 1.906 -5.025 138 HD2 ARG 18 HD2 ARG 18 -2.651 0.690 -6.086 139 HD3 ARG 18 HD1 ARG 18 -3.710 0.295 -7.440 140 HE ARG 18 HE ARG 18 -3.499 3.113 -6.837 141 HH11 ARG 18 HH11 ARG 18 -2.229 0.439 -8.718 142 HH12 ARG 18 HH12 ARG 18 -1.505 1.465 -9.914 143 HH21 ARG 18 HH21 ARG 18 -2.538 4.458 -8.406 144 HH22 ARG 18 HH22 ARG 18 -1.679 3.748 -9.735 145 H ARG 19 HN ARG 19 -4.934 -0.598 -1.449 146 HA ARG 19 HA ARG 19 -4.816 -3.497 -1.322 147 HB2 ARG 19 HB2 ARG 19 -4.032 -2.004 0.554 148 HB3 ARG 19 HB1 ARG 19 -5.710 -1.575 0.805 149 HG2 ARG 19 HG2 ARG 19 -6.260 -3.896 1.270 150 HG3 ARG 19 HG1 ARG 19 -4.570 -4.339 1.027 151 HD2 ARG 19 HD2 ARG 19 -3.893 -3.031 2.910 152 HD3 ARG 19 HD1 ARG 19 -5.510 -2.349 3.083 153 HE ARG 19 HE ARG 19 -5.530 -5.197 3.263 154 HH11 ARG 19 HH11 ARG 19 -4.812 -2.288 5.080 155 HH12 ARG 19 HH12 ARG 19 -5.182 -3.004 6.616 156 HH21 ARG 19 HH21 ARG 19 -6.018 -6.135 5.288 157 HH22 ARG 19 HH22 ARG 19 -5.875 -5.187 6.731 158 H ALA 20 HN ALA 20 -6.482 -4.698 -1.889 159 HA ALA 20 HA ALA 20 -9.189 -3.580 -1.601 160 HB1 ALA 20 HB1 ALA 20 -8.587 -4.092 -3.912 161 HB2 ALA 20 HB2 ALA 20 -9.889 -5.139 -3.349 162 HB3 ALA 20 HB3 ALA 20 -8.243 -5.759 -3.457 163 H ASN 21 HN ASN 21 -7.248 -5.264 0.162 164 HA ASN 21 HA ASN 21 -9.331 -6.779 1.424 165 HB2 ASN 21 HB2 ASN 21 -8.041 -8.928 1.430 166 HB3 ASN 21 HB1 ASN 21 -8.686 -8.478 -0.142 167 HD21 ASN 21 HD21 ASN 21 -7.258 -7.757 -1.748 168 HD22 ASN 21 HD22 ASN 21 -5.568 -8.108 -1.677 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 -15.334 0.994 -3.301 2 H2 GLY 1 HT2 GLY 1 -16.171 0.081 -2.154 3 H3 GLY 1 HT3 GLY 1 -16.022 -0.485 -3.740 4 HA2 GLY 1 HA1 GLY 1 -14.520 -1.651 -2.244 5 HA3 GLY 1 HA2 GLY 1 -13.666 -0.759 -3.494 6 H PHE 2 HN PHE 2 -12.389 -1.524 -1.190 7 HA PHE 2 HA PHE 2 -12.020 1.047 0.200 8 HB2 PHE 2 HB2 PHE 2 -11.448 -1.746 1.221 9 HB3 PHE 2 HB1 PHE 2 -11.095 -0.256 2.090 10 HD1 PHE 2 HD1 PHE 2 -13.034 1.241 2.732 11 HD2 PHE 2 HD2 PHE 2 -13.550 -2.755 1.365 12 HE1 PHE 2 HE1 PHE 2 -15.285 1.196 3.721 13 HE2 PHE 2 HE2 PHE 2 -15.802 -2.806 2.353 14 HZ PHE 2 HZ PHE 2 -16.678 -0.825 3.517 15 H ALA 3 HN ALA 3 -10.854 0.650 -2.255 16 HA ALA 3 HA ALA 3 -8.188 -0.391 -1.882 17 HB1 ALA 3 HB1 ALA 3 -9.405 1.064 -4.219 18 HB2 ALA 3 HB2 ALA 3 -9.277 -0.685 -4.032 19 HB3 ALA 3 HB3 ALA 3 -7.820 0.296 -4.199 20 H TRP 4 HN TRP 4 -7.472 0.981 -0.198 21 HA TRP 4 HA TRP 4 -6.858 3.706 -1.018 22 HB2 TRP 4 HB2 TRP 4 -5.567 3.303 1.404 23 HB3 TRP 4 HB1 TRP 4 -7.118 4.090 1.175 24 HD1 TRP 4 HD1 TRP 4 -5.781 0.516 1.898 25 HE1 TRP 4 HE1 TRP 4 -7.471 -0.662 3.429 26 HE3 TRP 4 HE3 TRP 4 -9.360 4.154 2.088 27 HZ2 TRP 4 HZ2 TRP 4 -9.993 -0.124 4.566 28 HZ3 TRP 4 HZ3 TRP 4 -11.381 3.740 3.427 29 HH2 TRP 4 HH2 TRP 4 -11.690 1.647 4.640 30 H ASN 5 HN ASN 5 -4.879 4.379 -1.591 31 HA ASN 5 HA ASN 5 -2.956 2.400 -2.352 32 HB2 ASN 5 HB2 ASN 5 -3.170 4.286 -3.799 33 HB3 ASN 5 HB1 ASN 5 -2.937 5.416 -2.470 34 HD21 ASN 5 HD21 ASN 5 -0.890 5.920 -1.810 35 HD22 ASN 5 HD22 ASN 5 0.536 5.375 -2.623 36 H VAL 6 HN VAL 6 -1.413 1.612 -1.185 37 HA VAL 6 HA VAL 6 -0.602 3.013 1.271 38 HB VAL 6 HB VAL 6 -0.604 0.030 0.760 39 HG11 VAL 6 HG11 VAL 6 -0.070 1.582 3.290 40 HG12 VAL 6 HG12 VAL 6 1.135 0.743 2.313 41 HG13 VAL 6 HG13 VAL 6 -0.121 -0.174 3.143 42 HG21 VAL 6 HG21 VAL 6 -2.879 0.854 0.925 43 HG22 VAL 6 HG22 VAL 6 -2.486 1.701 2.420 44 HG23 VAL 6 HG23 VAL 6 -2.457 -0.061 2.373 45 H CYS 7 HN CYS 7 1.338 3.875 0.985 46 HA CYS 7 HA CYS 7 3.319 2.503 -0.675 47 HB2 CYS 7 HB2 CYS 7 3.526 5.200 0.662 48 HB3 CYS 7 HB1 CYS 7 4.614 4.545 -0.549 49 H VAL 8 HN VAL 8 4.842 1.289 0.198 50 HA VAL 8 HA VAL 8 5.655 1.743 2.983 51 HB VAL 8 HB VAL 8 5.623 -0.766 3.352 52 HG11 VAL 8 HG11 VAL 8 2.994 0.671 3.020 53 HG12 VAL 8 HG12 VAL 8 4.023 0.671 4.452 54 HG13 VAL 8 HG13 VAL 8 3.227 -0.818 3.938 55 HG21 VAL 8 HG21 VAL 8 3.788 -0.681 0.960 56 HG22 VAL 8 HG22 VAL 8 4.039 -2.073 2.014 57 HG23 VAL 8 HG23 VAL 8 5.370 -1.459 1.034 58 H TYR 9 HN TYR 9 7.677 0.740 3.531 59 HA TYR 9 HA TYR 9 9.509 0.810 1.325 60 HB2 TYR 9 HB2 TYR 9 9.830 0.468 4.293 61 HB3 TYR 9 HB1 TYR 9 11.188 0.269 3.194 62 HD1 TYR 9 HD1 TYR 9 12.086 2.186 1.968 63 HD2 TYR 9 HD2 TYR 9 8.876 2.632 4.720 64 HE1 TYR 9 HE1 TYR 9 12.451 4.618 1.987 65 HE2 TYR 9 HE2 TYR 9 9.227 5.062 4.747 66 HH TYR 9 HH TYR 9 10.893 6.686 4.279 67 H ARG 10 HN ARG 10 9.949 -0.831 0.102 68 HA ARG 10 HA ARG 10 10.345 -3.460 1.335 69 HB2 ARG 10 HB2 ARG 10 8.138 -3.520 0.263 70 HB3 ARG 10 HB1 ARG 10 8.842 -2.956 -1.244 71 HG2 ARG 10 HG2 ARG 10 8.424 -5.342 -1.322 72 HG3 ARG 10 HG1 ARG 10 10.154 -5.010 -1.407 73 HD2 ARG 10 HD2 ARG 10 10.371 -5.520 0.970 74 HD3 ARG 10 HD1 ARG 10 8.643 -5.839 1.069 75 HE ARG 10 HE ARG 10 9.550 -7.515 -0.892 76 HH11 ARG 10 HH11 ARG 10 10.432 -6.948 2.446 77 HH12 ARG 10 HH12 ARG 10 10.846 -8.602 2.758 78 HH21 ARG 10 HH21 ARG 10 10.115 -9.706 -0.493 79 HH22 ARG 10 HH22 ARG 10 10.679 -10.168 1.083 80 H ASN 11 HN ASN 11 12.357 -4.049 0.970 81 HA ASN 11 HA ASN 11 14.422 -4.287 0.059 82 HB2 ASN 11 HB2 ASN 11 13.055 -5.198 -1.864 83 HB3 ASN 11 HB1 ASN 11 13.149 -3.605 -2.603 84 HD21 ASN 11 HD21 ASN 11 14.252 -4.354 -4.382 85 HD22 ASN 11 HD22 ASN 11 15.906 -4.859 -4.314 86 H GLY 12 HN GLY 12 13.453 -1.726 1.033 87 HA2 GLY 12 HA2 GLY 12 14.714 0.218 1.412 88 HA3 GLY 12 HA1 GLY 12 15.594 -0.087 -0.075 89 H VAL 13 HN VAL 13 12.847 -0.519 -1.383 90 HA VAL 13 HA VAL 13 12.540 2.314 -2.060 91 HB VAL 13 HB VAL 13 11.419 -0.066 -3.536 92 HG11 VAL 13 HG11 VAL 13 10.284 2.024 -4.034 93 HG12 VAL 13 HG12 VAL 13 11.240 1.497 -5.419 94 HG13 VAL 13 HG13 VAL 13 11.829 2.798 -4.384 95 HG21 VAL 13 HG21 VAL 13 13.833 -0.254 -3.489 96 HG22 VAL 13 HG22 VAL 13 13.996 1.419 -4.026 97 HG23 VAL 13 HG23 VAL 13 13.296 0.212 -5.103 98 H ARG 14 HN ARG 14 10.710 3.414 -1.673 99 HA ARG 14 HA ARG 14 8.617 2.201 -0.129 100 HB2 ARG 14 HB2 ARG 14 9.437 4.526 0.225 101 HB3 ARG 14 HB1 ARG 14 8.781 4.961 -1.346 102 HG2 ARG 14 HG2 ARG 14 6.539 4.272 -0.508 103 HG3 ARG 14 HG1 ARG 14 7.263 4.093 1.093 104 HD2 ARG 14 HD2 ARG 14 6.270 6.269 0.952 105 HD3 ARG 14 HD1 ARG 14 8.025 6.442 0.942 106 HE ARG 14 HE ARG 14 7.497 6.423 -1.668 107 HH11 ARG 14 HH11 ARG 14 5.938 8.174 0.931 108 HH12 ARG 14 HH12 ARG 14 5.555 9.546 -0.057 109 HH21 ARG 14 HH21 ARG 14 6.986 8.210 -2.972 110 HH22 ARG 14 HH22 ARG 14 6.138 9.560 -2.282 111 H VAL 15 HN VAL 15 7.397 0.797 -1.270 112 HA VAL 15 HA VAL 15 6.629 1.443 -4.005 113 HB VAL 15 HB VAL 15 7.510 -0.801 -3.482 114 HG11 VAL 15 HG11 VAL 15 6.646 -1.113 -1.253 115 HG12 VAL 15 HG12 VAL 15 6.107 -2.428 -2.296 116 HG13 VAL 15 HG13 VAL 15 4.994 -1.130 -1.867 117 HG21 VAL 15 HG21 VAL 15 6.084 -0.498 -5.421 118 HG22 VAL 15 HG22 VAL 15 4.652 -0.775 -4.432 119 HG23 VAL 15 HG23 VAL 15 5.809 -2.081 -4.695 120 H CYS 16 HN CYS 16 4.627 2.004 -4.624 121 HA CYS 16 HA CYS 16 2.577 2.188 -2.525 122 HB2 CYS 16 HB2 CYS 16 2.787 3.724 -5.116 123 HB3 CYS 16 HB1 CYS 16 1.548 3.944 -3.890 124 H HIS 17 HN HIS 17 0.844 0.970 -2.681 125 HA HIS 17 HA HIS 17 -0.095 0.059 -5.277 126 HB2 HIS 17 HB2 HIS 17 -0.330 -2.284 -4.456 127 HB3 HIS 17 HB1 HIS 17 1.330 -1.776 -4.687 128 HD1 HIS 17 HD1 HIS 17 -1.046 -3.001 -2.136 129 HD2 HIS 17 HD2 HIS 17 2.796 -1.422 -2.248 130 HE1 HIS 17 HE1 HIS 17 -0.054 -3.485 0.118 131 HE2 HIS 17 HE2 HIS 17 2.338 -2.721 -0.059 132 H ARG 18 HN ARG 18 -2.208 -0.919 -5.160 133 HA ARG 18 HA ARG 18 -3.828 0.528 -3.239 134 HB2 ARG 18 HB2 ARG 18 -5.746 -0.277 -4.642 135 HB3 ARG 18 HB1 ARG 18 -4.573 0.710 -5.497 136 HG2 ARG 18 HG2 ARG 18 -4.831 -0.911 -7.047 137 HG3 ARG 18 HG1 ARG 18 -3.583 -1.694 -6.082 138 HD2 ARG 18 HD2 ARG 18 -5.326 -3.283 -6.551 139 HD3 ARG 18 HD1 ARG 18 -5.353 -2.888 -4.834 140 HE ARG 18 HE ARG 18 -7.142 -1.198 -6.193 141 HH11 ARG 18 HH11 ARG 18 -6.779 -4.554 -5.274 142 HH12 ARG 18 HH12 ARG 18 -8.485 -4.861 -5.215 143 HH21 ARG 18 HH21 ARG 18 -9.403 -1.601 -6.123 144 HH22 ARG 18 HH22 ARG 18 -9.977 -3.183 -5.708 145 H ARG 19 HN ARG 19 -4.685 -0.302 -1.483 146 HA ARG 19 HA ARG 19 -4.270 -3.017 -0.743 147 HB2 ARG 19 HB2 ARG 19 -4.328 -1.283 0.939 148 HB3 ARG 19 HB1 ARG 19 -5.961 -0.835 0.471 149 HG2 ARG 19 HG2 ARG 19 -6.306 -2.058 2.391 150 HG3 ARG 19 HG1 ARG 19 -6.566 -3.257 1.128 151 HD2 ARG 19 HD2 ARG 19 -3.994 -2.877 2.655 152 HD3 ARG 19 HD1 ARG 19 -5.209 -4.099 3.015 153 HE ARG 19 HE ARG 19 -3.463 -4.026 0.650 154 HH11 ARG 19 HH11 ARG 19 -5.827 -5.709 2.626 155 HH12 ARG 19 HH12 ARG 19 -5.475 -7.263 1.930 156 HH21 ARG 19 HH21 ARG 19 -3.004 -6.077 -0.250 157 HH22 ARG 19 HH22 ARG 19 -3.871 -7.472 0.305 158 H ALA 20 HN ALA 20 -5.511 -4.733 -1.094 159 HA ALA 20 HA ALA 20 -8.088 -4.381 -2.411 160 HB1 ALA 20 HB1 ALA 20 -7.962 -6.796 -2.818 161 HB2 ALA 20 HB2 ALA 20 -6.471 -6.874 -1.879 162 HB3 ALA 20 HB3 ALA 20 -6.517 -5.964 -3.390 163 H ASN 21 HN ASN 21 -8.231 -3.487 0.111 164 HA ASN 21 HA ASN 21 -9.192 -3.647 2.149 165 HB2 ASN 21 HB2 ASN 21 -11.176 -4.331 0.859 166 HB3 ASN 21 HB1 ASN 21 -10.653 -6.010 0.945 167 HD21 ASN 21 HD21 ASN 21 -11.900 -3.301 2.742 168 HD22 ASN 21 HD22 ASN 21 -12.434 -4.203 4.118 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 -16.028 3.469 -1.699 2 H2 GLY 1 HT2 GLY 1 -16.356 3.500 -3.357 3 H3 GLY 1 HT3 GLY 1 -14.885 4.092 -2.776 4 HA2 GLY 1 HA1 GLY 1 -15.784 1.270 -2.683 5 HA3 GLY 1 HA2 GLY 1 -14.564 1.930 -3.766 6 H PHE 2 HN PHE 2 -12.998 0.490 -2.937 7 HA PHE 2 HA PHE 2 -12.101 1.141 -0.211 8 HB2 PHE 2 HB2 PHE 2 -10.938 -1.076 -0.255 9 HB3 PHE 2 HB1 PHE 2 -12.693 -1.180 -0.293 10 HD1 PHE 2 HD1 PHE 2 -13.793 -1.529 -2.597 11 HD2 PHE 2 HD2 PHE 2 -9.658 -2.189 -1.831 12 HE1 PHE 2 HE1 PHE 2 -13.662 -2.981 -4.579 13 HE2 PHE 2 HE2 PHE 2 -9.517 -3.634 -3.816 14 HZ PHE 2 HZ PHE 2 -11.521 -4.032 -5.193 15 H ALA 3 HN ALA 3 -11.493 2.827 -2.250 16 HA ALA 3 HA ALA 3 -8.925 2.142 -3.376 17 HB1 ALA 3 HB1 ALA 3 -9.059 4.279 -4.507 18 HB2 ALA 3 HB2 ALA 3 -10.451 4.737 -3.532 19 HB3 ALA 3 HB3 ALA 3 -10.580 3.408 -4.684 20 H TRP 4 HN TRP 4 -7.697 1.909 -1.452 21 HA TRP 4 HA TRP 4 -6.579 4.490 -0.702 22 HB2 TRP 4 HB2 TRP 4 -6.043 3.198 1.542 23 HB3 TRP 4 HB1 TRP 4 -7.526 4.111 1.343 24 HD1 TRP 4 HD1 TRP 4 -6.275 0.448 1.188 25 HE1 TRP 4 HE1 TRP 4 -8.237 -1.081 1.851 26 HE3 TRP 4 HE3 TRP 4 -9.927 3.981 1.604 27 HZ2 TRP 4 HZ2 TRP 4 -10.978 -0.814 2.478 28 HZ3 TRP 4 HZ3 TRP 4 -12.196 3.269 2.243 29 HH2 TRP 4 HH2 TRP 4 -12.709 0.921 2.670 30 H ASN 5 HN ASN 5 -4.616 4.546 -1.480 31 HA ASN 5 HA ASN 5 -3.165 2.112 -2.060 32 HB2 ASN 5 HB2 ASN 5 -2.534 5.028 -2.534 33 HB3 ASN 5 HB1 ASN 5 -1.433 3.721 -2.952 34 HD21 ASN 5 HD21 ASN 5 -2.891 5.725 -4.580 35 HD22 ASN 5 HD22 ASN 5 -3.748 4.803 -5.766 36 H VAL 6 HN VAL 6 -1.514 1.312 -0.945 37 HA VAL 6 HA VAL 6 -0.612 2.806 1.423 38 HB VAL 6 HB VAL 6 -0.964 -0.190 1.156 39 HG11 VAL 6 HG11 VAL 6 -0.405 -0.265 3.544 40 HG12 VAL 6 HG12 VAL 6 -0.083 1.470 3.518 41 HG13 VAL 6 HG13 VAL 6 0.930 0.371 2.580 42 HG21 VAL 6 HG21 VAL 6 -2.519 1.829 2.770 43 HG22 VAL 6 HG22 VAL 6 -2.726 0.079 2.842 44 HG23 VAL 6 HG23 VAL 6 -3.099 0.951 1.355 45 H CYS 7 HN CYS 7 1.416 3.412 1.180 46 HA CYS 7 HA CYS 7 3.254 2.039 -0.552 47 HB2 CYS 7 HB2 CYS 7 3.416 4.445 1.190 48 HB3 CYS 7 HB1 CYS 7 4.904 3.673 0.686 49 H VAL 8 HN VAL 8 4.850 0.718 -0.056 50 HA VAL 8 HA VAL 8 5.399 0.141 2.774 51 HB VAL 8 HB VAL 8 5.719 -2.271 2.165 52 HG11 VAL 8 HG11 VAL 8 3.733 -1.542 3.354 53 HG12 VAL 8 HG12 VAL 8 3.336 -2.839 2.228 54 HG13 VAL 8 HG13 VAL 8 2.933 -1.169 1.828 55 HG21 VAL 8 HG21 VAL 8 4.582 -3.106 0.146 56 HG22 VAL 8 HG22 VAL 8 5.947 -2.057 -0.231 57 HG23 VAL 8 HG23 VAL 8 4.300 -1.441 -0.361 58 H TYR 9 HN TYR 9 7.521 -0.901 3.073 59 HA TYR 9 HA TYR 9 9.402 0.288 1.178 60 HB2 TYR 9 HB2 TYR 9 9.695 -0.523 4.071 61 HB3 TYR 9 HB1 TYR 9 11.032 0.026 3.072 62 HD1 TYR 9 HD1 TYR 9 11.011 2.348 2.157 63 HD2 TYR 9 HD2 TYR 9 8.161 1.025 5.021 64 HE1 TYR 9 HE1 TYR 9 10.441 4.685 2.658 65 HE2 TYR 9 HE2 TYR 9 7.584 3.359 5.534 66 HH TYR 9 HH TYR 9 8.626 5.592 5.362 67 H ARG 10 HN ARG 10 9.802 -1.151 -0.358 68 HA ARG 10 HA ARG 10 10.592 -3.868 0.441 69 HB2 ARG 10 HB2 ARG 10 9.719 -2.762 -2.229 70 HB3 ARG 10 HB1 ARG 10 10.307 -4.400 -1.990 71 HG2 ARG 10 HG2 ARG 10 7.919 -3.257 -0.577 72 HG3 ARG 10 HG1 ARG 10 7.827 -4.180 -2.077 73 HD2 ARG 10 HD2 ARG 10 7.414 -5.777 -0.436 74 HD3 ARG 10 HD1 ARG 10 9.127 -5.988 -0.785 75 HE ARG 10 HE ARG 10 9.078 -4.234 1.309 76 HH11 ARG 10 HH11 ARG 10 7.761 -7.424 0.736 77 HH12 ARG 10 HH12 ARG 10 7.847 -7.901 2.403 78 HH21 ARG 10 HH21 ARG 10 9.181 -4.852 3.512 79 HH22 ARG 10 HH22 ARG 10 8.651 -6.436 3.982 80 H ASN 11 HN ASN 11 12.665 -3.721 0.954 81 HA ASN 11 HA ASN 11 14.913 -3.505 0.775 82 HB2 ASN 11 HB2 ASN 11 14.435 -4.950 -1.236 83 HB3 ASN 11 HB1 ASN 11 14.457 -3.487 -2.215 84 HD21 ASN 11 HD21 ASN 11 16.210 -4.234 -3.416 85 HD22 ASN 11 HD22 ASN 11 17.814 -4.275 -2.767 86 H GLY 12 HN GLY 12 13.551 -1.145 1.217 87 HA2 GLY 12 HA2 GLY 12 14.336 1.037 1.486 88 HA3 GLY 12 HA1 GLY 12 15.536 0.734 0.240 89 H VAL 13 HN VAL 13 12.708 -0.315 -1.041 90 HA VAL 13 HA VAL 13 12.255 2.254 -2.387 91 HB VAL 13 HB VAL 13 11.216 -0.456 -3.180 92 HG11 VAL 13 HG11 VAL 13 10.775 0.577 -5.342 93 HG12 VAL 13 HG12 VAL 13 11.358 2.121 -4.723 94 HG13 VAL 13 HG13 VAL 13 9.901 1.394 -4.046 95 HG21 VAL 13 HG21 VAL 13 13.631 1.022 -4.210 96 HG22 VAL 13 HG22 VAL 13 12.969 -0.457 -4.905 97 HG23 VAL 13 HG23 VAL 13 13.640 -0.473 -3.275 98 H ARG 14 HN ARG 14 10.550 3.406 -1.881 99 HA ARG 14 HA ARG 14 8.433 2.275 -0.242 100 HB2 ARG 14 HB2 ARG 14 9.533 4.452 0.317 101 HB3 ARG 14 HB1 ARG 14 8.854 5.124 -1.159 102 HG2 ARG 14 HG2 ARG 14 6.617 4.800 -0.329 103 HG3 ARG 14 HG1 ARG 14 7.241 3.995 1.114 104 HD2 ARG 14 HD2 ARG 14 6.756 6.226 1.741 105 HD3 ARG 14 HD1 ARG 14 8.509 6.090 1.610 106 HE ARG 14 HE ARG 14 8.151 7.095 -0.702 107 HH11 ARG 14 HH11 ARG 14 6.098 7.822 2.051 108 HH12 ARG 14 HH12 ARG 14 5.708 9.416 1.491 109 HH21 ARG 14 HH21 ARG 14 7.631 9.187 -1.429 110 HH22 ARG 14 HH22 ARG 14 6.569 10.187 -0.489 111 H VAL 15 HN VAL 15 6.989 1.178 -1.451 112 HA VAL 15 HA VAL 15 6.058 2.454 -3.938 113 HB VAL 15 HB VAL 15 7.268 0.427 -4.428 114 HG11 VAL 15 HG11 VAL 15 7.058 -0.730 -2.312 115 HG12 VAL 15 HG12 VAL 15 6.542 -1.769 -3.640 116 HG13 VAL 15 HG13 VAL 15 5.339 -0.992 -2.609 117 HG21 VAL 15 HG21 VAL 15 5.556 -0.815 -5.668 118 HG22 VAL 15 HG22 VAL 15 5.356 0.929 -5.839 119 HG23 VAL 15 HG23 VAL 15 4.302 0.023 -4.754 120 H CYS 16 HN CYS 16 4.024 3.100 -3.959 121 HA CYS 16 HA CYS 16 2.143 2.093 -1.988 122 HB2 CYS 16 HB2 CYS 16 2.124 4.368 -3.915 123 HB3 CYS 16 HB1 CYS 16 0.599 3.757 -3.307 124 H HIS 17 HN HIS 17 0.460 0.858 -2.377 125 HA HIS 17 HA HIS 17 -0.164 0.021 -5.096 126 HB2 HIS 17 HB2 HIS 17 -0.105 -2.379 -4.431 127 HB3 HIS 17 HB1 HIS 17 1.475 -1.623 -4.463 128 HD1 HIS 17 HD1 HIS 17 -1.140 -2.855 -2.039 129 HD2 HIS 17 HD2 HIS 17 2.852 -1.695 -2.070 130 HE1 HIS 17 HE1 HIS 17 -0.255 -3.415 0.246 131 HE2 HIS 17 HE2 HIS 17 2.212 -2.933 0.106 132 H ARG 18 HN ARG 18 -2.103 -1.256 -5.208 133 HA ARG 18 HA ARG 18 -4.237 -0.287 -3.641 134 HB2 ARG 18 HB2 ARG 18 -4.143 -2.886 -5.191 135 HB3 ARG 18 HB1 ARG 18 -5.587 -2.032 -4.675 136 HG2 ARG 18 HG2 ARG 18 -3.582 -1.054 -6.695 137 HG3 ARG 18 HG1 ARG 18 -5.175 -1.724 -7.044 138 HD2 ARG 18 HD2 ARG 18 -6.131 0.149 -5.643 139 HD3 ARG 18 HD1 ARG 18 -4.517 0.862 -5.653 140 HE ARG 18 HE ARG 18 -6.097 0.333 -8.089 141 HH11 ARG 18 HH11 ARG 18 -3.896 2.363 -6.252 142 HH12 ARG 18 HH12 ARG 18 -3.706 3.511 -7.543 143 HH21 ARG 18 HH21 ARG 18 -5.845 1.847 -9.753 144 HH22 ARG 18 HH22 ARG 18 -4.795 3.211 -9.527 145 H ARG 19 HN ARG 19 -5.253 -1.139 -1.837 146 HA ARG 19 HA ARG 19 -3.694 -3.141 -0.405 147 HB2 ARG 19 HB2 ARG 19 -4.355 -1.036 0.744 148 HB3 ARG 19 HB1 ARG 19 -6.040 -1.520 0.583 149 HG2 ARG 19 HG2 ARG 19 -5.579 -3.523 1.920 150 HG3 ARG 19 HG1 ARG 19 -3.906 -2.997 2.110 151 HD2 ARG 19 HD2 ARG 19 -4.675 -0.970 3.239 152 HD3 ARG 19 HD1 ARG 19 -6.348 -1.498 3.050 153 HE ARG 19 HE ARG 19 -5.053 -3.565 4.349 154 HH11 ARG 19 HH11 ARG 19 -5.678 -0.167 4.959 155 HH12 ARG 19 HH12 ARG 19 -5.699 -0.353 6.684 156 HH21 ARG 19 HH21 ARG 19 -5.042 -3.797 6.617 157 HH22 ARG 19 HH22 ARG 19 -5.328 -2.415 7.627 158 H ALA 20 HN ALA 20 -4.305 -5.164 -0.149 159 HA ALA 20 HA ALA 20 -7.028 -5.947 -0.939 160 HB1 ALA 20 HB1 ALA 20 -5.222 -7.086 -2.140 161 HB2 ALA 20 HB2 ALA 20 -6.127 -8.220 -1.135 162 HB3 ALA 20 HB3 ALA 20 -4.548 -7.641 -0.607 163 H ASN 21 HN ASN 21 -6.946 -4.679 1.386 164 HA ASN 21 HA ASN 21 -7.339 -4.695 3.602 165 HB2 ASN 21 HB2 ASN 21 -9.144 -6.264 2.984 166 HB3 ASN 21 HB1 ASN 21 -8.030 -7.610 3.190 167 HD21 ASN 21 HD21 ASN 21 -9.881 -5.153 4.786 168 HD22 ASN 21 HD22 ASN 21 -9.738 -5.795 6.386 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 -16.851 0.884 -4.237 2 H2 GLY 1 HT2 GLY 1 -16.628 1.184 -5.886 3 H3 GLY 1 HT3 GLY 1 -16.184 2.349 -4.746 4 HA2 GLY 1 HA1 GLY 1 -14.940 -0.324 -5.030 5 HA3 GLY 1 HA2 GLY 1 -14.250 1.179 -5.626 6 H PHE 2 HN PHE 2 -12.487 0.291 -4.198 7 HA PHE 2 HA PHE 2 -12.770 1.445 -1.514 8 HB2 PHE 2 HB2 PHE 2 -11.497 -1.235 -2.130 9 HB3 PHE 2 HB1 PHE 2 -11.518 -0.450 -0.557 10 HD1 PHE 2 HD1 PHE 2 -13.894 0.121 0.379 11 HD2 PHE 2 HD2 PHE 2 -13.123 -2.780 -2.639 12 HE1 PHE 2 HE1 PHE 2 -16.027 -0.983 0.903 13 HE2 PHE 2 HE2 PHE 2 -15.258 -3.887 -2.121 14 HZ PHE 2 HZ PHE 2 -16.712 -2.990 -0.348 15 H ALA 3 HN ALA 3 -11.516 3.212 -1.996 16 HA ALA 3 HA ALA 3 -8.961 2.763 -3.340 17 HB1 ALA 3 HB1 ALA 3 -8.946 5.158 -3.768 18 HB2 ALA 3 HB2 ALA 3 -10.424 5.345 -2.826 19 HB3 ALA 3 HB3 ALA 3 -10.449 4.424 -4.329 20 H TRP 4 HN TRP 4 -7.845 1.928 -1.510 21 HA TRP 4 HA TRP 4 -6.750 4.144 0.039 22 HB2 TRP 4 HB2 TRP 4 -6.188 2.224 1.736 23 HB3 TRP 4 HB1 TRP 4 -7.720 3.073 1.810 24 HD1 TRP 4 HD1 TRP 4 -6.312 -0.238 0.326 25 HE1 TRP 4 HE1 TRP 4 -8.175 -2.012 0.497 26 HE3 TRP 4 HE3 TRP 4 -10.026 2.712 2.182 27 HZ2 TRP 4 HZ2 TRP 4 -10.882 -2.127 1.333 28 HZ3 TRP 4 HZ3 TRP 4 -12.227 1.701 2.648 29 HH2 TRP 4 HH2 TRP 4 -12.642 -0.666 2.230 30 H ASN 5 HN ASN 5 -4.701 4.455 -0.452 31 HA ASN 5 HA ASN 5 -3.242 2.294 -1.774 32 HB2 ASN 5 HB2 ASN 5 -2.666 5.254 -1.574 33 HB3 ASN 5 HB1 ASN 5 -1.587 4.095 -2.344 34 HD21 ASN 5 HD21 ASN 5 -4.564 5.842 -2.587 35 HD22 ASN 5 HD22 ASN 5 -4.909 5.436 -4.231 36 H VAL 6 HN VAL 6 -1.566 1.302 -0.892 37 HA VAL 6 HA VAL 6 -0.660 2.205 1.758 38 HB VAL 6 HB VAL 6 -0.997 -0.625 0.743 39 HG11 VAL 6 HG11 VAL 6 -0.262 -1.331 2.969 40 HG12 VAL 6 HG12 VAL 6 0.068 0.350 3.391 41 HG13 VAL 6 HG13 VAL 6 1.004 -0.441 2.121 42 HG21 VAL 6 HG21 VAL 6 -3.098 0.381 1.385 43 HG22 VAL 6 HG22 VAL 6 -2.409 0.904 2.921 44 HG23 VAL 6 HG23 VAL 6 -2.617 -0.816 2.591 45 H CYS 7 HN CYS 7 1.308 2.999 1.549 46 HA CYS 7 HA CYS 7 3.094 1.944 -0.502 47 HB2 CYS 7 HB2 CYS 7 3.516 4.306 1.331 48 HB3 CYS 7 HB1 CYS 7 4.468 3.896 -0.084 49 H VAL 8 HN VAL 8 4.868 0.728 -0.042 50 HA VAL 8 HA VAL 8 5.599 0.442 2.794 51 HB VAL 8 HB VAL 8 6.015 -2.014 2.337 52 HG11 VAL 8 HG11 VAL 8 4.156 -1.266 3.694 53 HG12 VAL 8 HG12 VAL 8 3.670 -2.641 2.704 54 HG13 VAL 8 HG13 VAL 8 3.175 -1.010 2.251 55 HG21 VAL 8 HG21 VAL 8 5.939 -1.959 -0.095 56 HG22 VAL 8 HG22 VAL 8 4.251 -1.448 -0.047 57 HG23 VAL 8 HG23 VAL 8 4.708 -3.049 0.536 58 H TYR 9 HN TYR 9 7.737 -0.025 3.216 59 HA TYR 9 HA TYR 9 9.565 0.665 1.065 60 HB2 TYR 9 HB2 TYR 9 9.923 0.327 4.042 61 HB3 TYR 9 HB1 TYR 9 11.265 0.621 2.946 62 HD1 TYR 9 HD1 TYR 9 11.455 2.778 1.766 63 HD2 TYR 9 HD2 TYR 9 8.400 2.075 4.639 64 HE1 TYR 9 HE1 TYR 9 11.058 5.197 1.928 65 HE2 TYR 9 HE2 TYR 9 7.993 4.493 4.804 66 HH TYR 9 HH TYR 9 9.370 6.743 2.595 67 H ARG 10 HN ARG 10 10.030 -0.978 -0.230 68 HA ARG 10 HA ARG 10 10.810 -3.533 1.015 69 HB2 ARG 10 HB2 ARG 10 9.556 -3.080 -1.698 70 HB3 ARG 10 HB1 ARG 10 10.099 -4.635 -1.080 71 HG2 ARG 10 HG2 ARG 10 7.971 -2.935 0.180 72 HG3 ARG 10 HG1 ARG 10 7.663 -4.301 -0.891 73 HD2 ARG 10 HD2 ARG 10 9.066 -4.395 1.779 74 HD3 ARG 10 HD1 ARG 10 7.427 -4.945 1.446 75 HE ARG 10 HE ARG 10 9.550 -6.194 -0.099 76 HH11 ARG 10 HH11 ARG 10 7.409 -6.382 2.663 77 HH12 ARG 10 HH12 ARG 10 7.563 -8.105 2.822 78 HH21 ARG 10 HH21 ARG 10 9.757 -8.458 0.115 79 HH22 ARG 10 HH22 ARG 10 8.887 -9.284 1.371 80 H ASN 11 HN ASN 11 12.906 -3.526 1.074 81 HA ASN 11 HA ASN 11 15.087 -3.562 0.451 82 HB2 ASN 11 HB2 ASN 11 14.179 -4.928 -1.471 83 HB3 ASN 11 HB1 ASN 11 14.134 -3.446 -2.417 84 HD21 ASN 11 HD21 ASN 11 15.611 -4.184 -3.913 85 HD22 ASN 11 HD22 ASN 11 17.289 -4.383 -3.550 86 H GLY 12 HN GLY 12 13.643 -1.079 0.917 87 HA2 GLY 12 HA2 GLY 12 14.781 0.981 1.234 88 HA3 GLY 12 HA1 GLY 12 15.708 0.665 -0.221 89 H VAL 13 HN VAL 13 12.977 -0.101 -1.503 90 HA VAL 13 HA VAL 13 12.442 2.664 -2.299 91 HB VAL 13 HB VAL 13 13.023 1.069 -4.088 92 HG11 VAL 13 HG11 VAL 13 12.023 -0.953 -3.203 93 HG12 VAL 13 HG12 VAL 13 11.394 -0.610 -4.817 94 HG13 VAL 13 HG13 VAL 13 10.412 -0.259 -3.395 95 HG21 VAL 13 HG21 VAL 13 10.236 2.196 -4.244 96 HG22 VAL 13 HG22 VAL 13 11.200 1.673 -5.624 97 HG23 VAL 13 HG23 VAL 13 11.734 3.035 -4.641 98 H ARG 14 HN ARG 14 10.501 3.598 -2.184 99 HA ARG 14 HA ARG 14 8.540 2.351 -0.433 100 HB2 ARG 14 HB2 ARG 14 9.339 4.736 -0.147 101 HB3 ARG 14 HB1 ARG 14 8.490 5.126 -1.636 102 HG2 ARG 14 HG2 ARG 14 6.383 4.387 -0.593 103 HG3 ARG 14 HG1 ARG 14 7.259 4.102 0.914 104 HD2 ARG 14 HD2 ARG 14 7.975 6.508 0.832 105 HD3 ARG 14 HD1 ARG 14 6.856 6.723 -0.513 106 HE ARG 14 HE ARG 14 5.800 5.645 1.987 107 HH11 ARG 14 HH11 ARG 14 6.107 8.368 -0.192 108 HH12 ARG 14 HH12 ARG 14 4.810 9.258 0.535 109 HH21 ARG 14 HH21 ARG 14 4.109 6.826 2.962 110 HH22 ARG 14 HH22 ARG 14 3.674 8.381 2.331 111 H VAL 15 HN VAL 15 7.444 0.861 -1.637 112 HA VAL 15 HA VAL 15 6.328 1.724 -4.211 113 HB VAL 15 HB VAL 15 7.630 -0.380 -4.155 114 HG11 VAL 15 HG11 VAL 15 6.654 -2.398 -3.172 115 HG12 VAL 15 HG12 VAL 15 5.399 -1.407 -2.431 116 HG13 VAL 15 HG13 VAL 15 7.084 -1.193 -1.960 117 HG21 VAL 15 HG21 VAL 15 5.986 -0.042 -5.898 118 HG22 VAL 15 HG22 VAL 15 4.720 -0.692 -4.858 119 HG23 VAL 15 HG23 VAL 15 6.021 -1.739 -5.424 120 H CYS 16 HN CYS 16 4.151 1.922 -4.521 121 HA CYS 16 HA CYS 16 2.512 1.417 -2.139 122 HB2 CYS 16 HB2 CYS 16 3.002 3.856 -3.222 123 HB3 CYS 16 HB1 CYS 16 1.519 3.415 -4.050 124 H HIS 17 HN HIS 17 0.523 0.607 -2.362 125 HA HIS 17 HA HIS 17 -0.611 -0.015 -4.934 126 HB2 HIS 17 HB2 HIS 17 -0.735 -2.428 -4.542 127 HB3 HIS 17 HB1 HIS 17 0.924 -1.901 -4.685 128 HD1 HIS 17 HD1 HIS 17 -1.487 -3.479 -2.353 129 HD2 HIS 17 HD2 HIS 17 2.408 -2.018 -2.236 130 HE1 HIS 17 HE1 HIS 17 -0.499 -4.344 -0.211 131 HE2 HIS 17 HE2 HIS 17 1.905 -3.605 -0.255 132 H ARG 18 HN ARG 18 -2.704 -1.057 -4.684 133 HA ARG 18 HA ARG 18 -4.180 0.060 -2.488 134 HB2 ARG 18 HB2 ARG 18 -5.032 -1.972 -4.562 135 HB3 ARG 18 HB1 ARG 18 -6.108 -1.133 -3.459 136 HG2 ARG 18 HG2 ARG 18 -5.525 0.995 -4.512 137 HG3 ARG 18 HG1 ARG 18 -4.449 0.141 -5.622 138 HD2 ARG 18 HD2 ARG 18 -6.615 0.604 -6.662 139 HD3 ARG 18 HD1 ARG 18 -6.336 -1.128 -6.498 140 HE ARG 18 HE ARG 18 -8.173 0.480 -4.852 141 HH11 ARG 18 HH11 ARG 18 -7.073 -2.624 -6.036 142 HH12 ARG 18 HH12 ARG 18 -8.401 -3.503 -5.350 143 HH21 ARG 18 HH21 ARG 18 -9.913 -0.668 -3.940 144 HH22 ARG 18 HH22 ARG 18 -10.022 -2.388 -4.161 145 H ARG 19 HN ARG 19 -4.970 -0.998 -0.681 146 HA ARG 19 HA ARG 19 -3.741 -3.504 0.014 147 HB2 ARG 19 HB2 ARG 19 -4.220 -1.747 1.710 148 HB3 ARG 19 HB1 ARG 19 -5.934 -2.004 1.432 149 HG2 ARG 19 HG2 ARG 19 -5.767 -4.276 2.245 150 HG3 ARG 19 HG1 ARG 19 -4.027 -4.081 2.471 151 HD2 ARG 19 HD2 ARG 19 -6.120 -2.414 3.854 152 HD3 ARG 19 HD1 ARG 19 -5.364 -3.839 4.560 153 HE ARG 19 HE ARG 19 -3.205 -2.457 4.066 154 HH11 ARG 19 HH11 ARG 19 -6.274 -1.256 5.238 155 HH12 ARG 19 HH12 ARG 19 -5.566 0.051 6.131 156 HH21 ARG 19 HH21 ARG 19 -2.269 -0.737 5.256 157 HH22 ARG 19 HH22 ARG 19 -3.296 0.357 6.128 158 H ALA 20 HN ALA 20 -4.421 -5.282 -0.895 159 HA ALA 20 HA ALA 20 -7.238 -5.535 -1.674 160 HB1 ALA 20 HB1 ALA 20 -5.578 -5.795 -3.457 161 HB2 ALA 20 HB2 ALA 20 -6.489 -7.282 -3.197 162 HB3 ALA 20 HB3 ALA 20 -4.845 -7.137 -2.578 163 H ASN 21 HN ASN 21 -6.836 -5.831 0.988 164 HA ASN 21 HA ASN 21 -7.645 -8.581 1.354 165 HB2 ASN 21 HB2 ASN 21 -6.100 -8.807 3.373 166 HB3 ASN 21 HB1 ASN 21 -5.350 -8.939 1.790 167 HD21 ASN 21 HD21 ASN 21 -5.668 -7.019 4.658 168 HD22 ASN 21 HD22 ASN 21 -4.333 -5.965 4.342 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 -16.453 3.213 -0.458 2 H2 GLY 1 HT2 GLY 1 -14.898 3.422 0.168 3 H3 GLY 1 HT3 GLY 1 -15.953 2.315 0.884 4 HA2 GLY 1 HA1 GLY 1 -15.908 0.923 -1.056 5 HA3 GLY 1 HA2 GLY 1 -14.894 2.101 -1.872 6 H PHE 2 HN PHE 2 -12.889 1.372 -2.029 7 HA PHE 2 HA PHE 2 -11.564 0.393 0.376 8 HB2 PHE 2 HB2 PHE 2 -10.574 -1.520 -0.803 9 HB3 PHE 2 HB1 PHE 2 -12.328 -1.643 -0.755 10 HD1 PHE 2 HD1 PHE 2 -13.626 -0.965 -2.831 11 HD2 PHE 2 HD2 PHE 2 -9.421 -1.615 -2.833 12 HE1 PHE 2 HE1 PHE 2 -13.676 -1.251 -5.273 13 HE2 PHE 2 HE2 PHE 2 -9.463 -1.903 -5.272 14 HZ PHE 2 HZ PHE 2 -11.583 -1.731 -6.497 15 H ALA 3 HN ALA 3 -11.455 2.844 -1.053 16 HA ALA 3 HA ALA 3 -9.062 2.783 -2.678 17 HB1 ALA 3 HB1 ALA 3 -10.738 5.131 -1.813 18 HB2 ALA 3 HB2 ALA 3 -10.910 4.236 -3.323 19 HB3 ALA 3 HB3 ALA 3 -9.443 5.162 -3.009 20 H TRP 4 HN TRP 4 -7.554 2.079 -1.131 21 HA TRP 4 HA TRP 4 -6.354 4.346 0.205 22 HB2 TRP 4 HB2 TRP 4 -5.697 2.494 2.009 23 HB3 TRP 4 HB1 TRP 4 -7.093 3.536 2.199 24 HD1 TRP 4 HD1 TRP 4 -6.231 -0.059 1.027 25 HE1 TRP 4 HE1 TRP 4 -8.279 -1.555 1.518 26 HE3 TRP 4 HE3 TRP 4 -9.463 3.515 2.701 27 HZ2 TRP 4 HZ2 TRP 4 -10.912 -1.246 2.497 28 HZ3 TRP 4 HZ3 TRP 4 -11.723 2.842 3.403 29 HH2 TRP 4 HH2 TRP 4 -12.429 0.510 3.302 30 H ASN 5 HN ASN 5 -4.505 4.543 -0.809 31 HA ASN 5 HA ASN 5 -3.199 2.295 -2.049 32 HB2 ASN 5 HB2 ASN 5 -2.350 5.189 -1.756 33 HB3 ASN 5 HB1 ASN 5 -1.458 3.983 -2.674 34 HD21 ASN 5 HD21 ASN 5 -2.675 6.472 -3.540 35 HD22 ASN 5 HD22 ASN 5 -3.785 6.053 -4.798 36 H VAL 6 HN VAL 6 -1.926 0.960 -1.007 37 HA VAL 6 HA VAL 6 -0.779 1.765 1.551 38 HB VAL 6 HB VAL 6 -1.018 -0.976 0.295 39 HG11 VAL 6 HG11 VAL 6 -0.339 -1.828 2.494 40 HG12 VAL 6 HG12 VAL 6 -0.075 -0.175 3.047 41 HG13 VAL 6 HG13 VAL 6 0.926 -0.843 1.759 42 HG21 VAL 6 HG21 VAL 6 -2.705 -1.370 2.037 43 HG22 VAL 6 HG22 VAL 6 -3.172 -0.061 0.948 44 HG23 VAL 6 HG23 VAL 6 -2.546 0.309 2.556 45 H CYS 7 HN CYS 7 1.069 2.790 1.241 46 HA CYS 7 HA CYS 7 3.028 1.789 -0.675 47 HB2 CYS 7 HB2 CYS 7 3.178 4.183 1.164 48 HB3 CYS 7 HB1 CYS 7 4.316 3.790 -0.116 49 H VAL 8 HN VAL 8 4.804 0.665 -0.130 50 HA VAL 8 HA VAL 8 5.479 0.480 2.724 51 HB VAL 8 HB VAL 8 5.983 -1.977 2.372 52 HG11 VAL 8 HG11 VAL 8 4.088 -1.222 3.685 53 HG12 VAL 8 HG12 VAL 8 3.660 -2.663 2.765 54 HG13 VAL 8 HG13 VAL 8 3.109 -1.078 2.226 55 HG21 VAL 8 HG21 VAL 8 5.930 -2.037 -0.055 56 HG22 VAL 8 HG22 VAL 8 4.233 -1.559 -0.050 57 HG23 VAL 8 HG23 VAL 8 4.709 -3.125 0.606 58 H TYR 9 HN TYR 9 7.623 0.033 3.180 59 HA TYR 9 HA TYR 9 9.428 0.710 0.991 60 HB2 TYR 9 HB2 TYR 9 9.766 0.789 3.989 61 HB3 TYR 9 HB1 TYR 9 11.054 1.140 2.850 62 HD1 TYR 9 HD1 TYR 9 11.229 3.263 1.816 63 HD2 TYR 9 HD2 TYR 9 7.738 2.266 4.035 64 HE1 TYR 9 HE1 TYR 9 10.501 5.605 1.715 65 HE2 TYR 9 HE2 TYR 9 6.999 4.609 3.935 66 HH TYR 9 HH TYR 9 8.318 6.864 1.846 67 H ARG 10 HN ARG 10 10.079 -1.025 -0.032 68 HA ARG 10 HA ARG 10 11.028 -3.326 1.545 69 HB2 ARG 10 HB2 ARG 10 10.077 -3.174 -1.324 70 HB3 ARG 10 HB1 ARG 10 10.796 -4.603 -0.596 71 HG2 ARG 10 HG2 ARG 10 8.973 -4.724 1.004 72 HG3 ARG 10 HG1 ARG 10 8.256 -3.268 0.313 73 HD2 ARG 10 HD2 ARG 10 7.848 -4.373 -1.763 74 HD3 ARG 10 HD1 ARG 10 8.780 -5.781 -1.257 75 HE ARG 10 HE ARG 10 6.626 -5.294 0.524 76 HH11 ARG 10 HH11 ARG 10 7.336 -6.557 -2.664 77 HH12 ARG 10 HH12 ARG 10 6.000 -7.663 -2.660 78 HH21 ARG 10 HH21 ARG 10 4.866 -6.736 0.537 79 HH22 ARG 10 HH22 ARG 10 4.588 -7.762 -0.835 80 H ASN 11 HN ASN 11 13.142 -3.663 1.561 81 HA ASN 11 HA ASN 11 15.347 -3.209 1.324 82 HB2 ASN 11 HB2 ASN 11 16.293 -3.755 -0.856 83 HB3 ASN 11 HB1 ASN 11 15.041 -4.891 -0.401 84 HD21 ASN 11 HD21 ASN 11 15.922 -2.312 -2.562 85 HD22 ASN 11 HD22 ASN 11 14.667 -2.598 -3.721 86 H GLY 12 HN GLY 12 13.747 -0.819 1.387 87 HA2 GLY 12 HA2 GLY 12 14.689 1.344 1.550 88 HA3 GLY 12 HA1 GLY 12 15.800 0.932 0.255 89 H VAL 13 HN VAL 13 13.137 -0.186 -1.102 90 HA VAL 13 HA VAL 13 12.614 2.420 -2.347 91 HB VAL 13 HB VAL 13 13.308 0.608 -3.860 92 HG11 VAL 13 HG11 VAL 13 12.291 -1.300 -2.758 93 HG12 VAL 13 HG12 VAL 13 11.752 -1.192 -4.434 94 HG13 VAL 13 HG13 VAL 13 10.685 -0.674 -3.130 95 HG21 VAL 13 HG21 VAL 13 11.577 0.960 -5.556 96 HG22 VAL 13 HG22 VAL 13 12.001 2.454 -4.723 97 HG23 VAL 13 HG23 VAL 13 10.508 1.611 -4.316 98 H ARG 14 HN ARG 14 10.684 3.350 -2.446 99 HA ARG 14 HA ARG 14 8.611 2.298 -0.682 100 HB2 ARG 14 HB2 ARG 14 9.215 4.581 -0.257 101 HB3 ARG 14 HB1 ARG 14 9.036 5.003 -1.954 102 HG2 ARG 14 HG2 ARG 14 6.633 4.631 -1.809 103 HG3 ARG 14 HG1 ARG 14 6.802 4.172 -0.113 104 HD2 ARG 14 HD2 ARG 14 7.522 6.368 0.481 105 HD3 ARG 14 HD1 ARG 14 7.646 6.844 -1.212 106 HE ARG 14 HE ARG 14 5.167 6.557 -1.286 107 HH11 ARG 14 HH11 ARG 14 6.783 7.226 1.755 108 HH12 ARG 14 HH12 ARG 14 5.402 8.010 2.452 109 HH21 ARG 14 HH21 ARG 14 3.353 7.601 -0.355 110 HH22 ARG 14 HH22 ARG 14 3.465 8.229 1.259 111 H VAL 15 HN VAL 15 7.381 0.859 -1.724 112 HA VAL 15 HA VAL 15 6.431 1.533 -4.420 113 HB VAL 15 HB VAL 15 7.546 -0.647 -4.167 114 HG11 VAL 15 HG11 VAL 15 6.445 -2.477 -2.973 115 HG12 VAL 15 HG12 VAL 15 5.265 -1.330 -2.336 116 HG13 VAL 15 HG13 VAL 15 6.967 -1.183 -1.891 117 HG21 VAL 15 HG21 VAL 15 4.611 -0.822 -4.809 118 HG22 VAL 15 HG22 VAL 15 5.830 -2.005 -5.282 119 HG23 VAL 15 HG23 VAL 15 5.902 -0.363 -5.921 120 H CYS 16 HN CYS 16 4.316 1.898 -4.810 121 HA CYS 16 HA CYS 16 2.495 1.677 -2.514 122 HB2 CYS 16 HB2 CYS 16 2.423 3.687 -4.769 123 HB3 CYS 16 HB1 CYS 16 1.260 3.584 -3.456 124 H HIS 17 HN HIS 17 0.676 0.572 -2.760 125 HA HIS 17 HA HIS 17 -0.287 -0.105 -5.428 126 HB2 HIS 17 HB2 HIS 17 -0.525 -2.503 -4.797 127 HB3 HIS 17 HB1 HIS 17 1.141 -1.990 -4.961 128 HD1 HIS 17 HD1 HIS 17 -1.372 -3.133 -2.433 129 HD2 HIS 17 HD2 HIS 17 2.653 -2.084 -2.585 130 HE1 HIS 17 HE1 HIS 17 -0.403 -3.834 -0.220 131 HE2 HIS 17 HE2 HIS 17 2.056 -3.327 -0.392 132 H ARG 18 HN ARG 18 -2.412 -1.047 -5.379 133 HA ARG 18 HA ARG 18 -4.053 0.147 -3.328 134 HB2 ARG 18 HB2 ARG 18 -5.929 -0.489 -4.610 135 HB3 ARG 18 HB1 ARG 18 -4.701 -0.071 -5.794 136 HG2 ARG 18 HG2 ARG 18 -4.297 -2.347 -6.308 137 HG3 ARG 18 HG1 ARG 18 -5.242 -2.895 -4.921 138 HD2 ARG 18 HD2 ARG 18 -7.255 -1.880 -5.949 139 HD3 ARG 18 HD1 ARG 18 -6.289 -1.470 -7.365 140 HE ARG 18 HE ARG 18 -5.892 -4.106 -7.199 141 HH11 ARG 18 HH11 ARG 18 -8.811 -2.194 -7.041 142 HH12 ARG 18 HH12 ARG 18 -9.825 -3.441 -7.692 143 HH21 ARG 18 HH21 ARG 18 -7.231 -5.764 -8.080 144 HH22 ARG 18 HH22 ARG 18 -8.927 -5.470 -8.271 145 H ARG 19 HN ARG 19 -5.377 -0.988 -1.864 146 HA ARG 19 HA ARG 19 -4.402 -3.684 -1.251 147 HB2 ARG 19 HB2 ARG 19 -4.444 -1.929 0.546 148 HB3 ARG 19 HB1 ARG 19 -6.199 -1.925 0.426 149 HG2 ARG 19 HG2 ARG 19 -6.233 -4.300 1.042 150 HG3 ARG 19 HG1 ARG 19 -4.479 -4.267 1.210 151 HD2 ARG 19 HD2 ARG 19 -4.670 -2.605 2.983 152 HD3 ARG 19 HD1 ARG 19 -6.425 -2.598 2.797 153 HE ARG 19 HE ARG 19 -5.143 -5.146 3.427 154 HH11 ARG 19 HH11 ARG 19 -6.966 -2.377 4.548 155 HH12 ARG 19 HH12 ARG 19 -7.547 -3.181 5.970 156 HH21 ARG 19 HH21 ARG 19 -5.914 -6.206 5.293 157 HH22 ARG 19 HH22 ARG 19 -6.951 -5.357 6.394 158 H ALA 20 HN ALA 20 -5.883 -5.386 -0.795 159 HA ALA 20 HA ALA 20 -7.645 -6.738 -1.191 160 HB1 ALA 20 HB1 ALA 20 -9.261 -4.194 -1.315 161 HB2 ALA 20 HB2 ALA 20 -8.882 -5.098 0.150 162 HB3 ALA 20 HB3 ALA 20 -9.890 -5.826 -1.099 163 H ASN 21 HN ASN 21 -6.307 -6.898 -3.263 164 HA ASN 21 HA ASN 21 -7.589 -5.830 -5.618 165 HB2 ASN 21 HB2 ASN 21 -5.854 -6.872 -6.891 166 HB3 ASN 21 HB1 ASN 21 -5.099 -6.187 -5.462 167 HD21 ASN 21 HD21 ASN 21 -5.879 -9.069 -7.184 168 HD22 ASN 21 HD22 ASN 21 -4.990 -10.162 -6.185 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 -15.665 3.448 -3.623 2 H2 GLY 1 HT2 GLY 1 -14.069 3.986 -3.514 3 H3 GLY 1 HT3 GLY 1 -15.174 4.371 -2.297 4 HA2 GLY 1 HA1 GLY 1 -15.379 2.036 -1.706 5 HA3 GLY 1 HA2 GLY 1 -14.198 1.650 -2.950 6 H PHE 2 HN PHE 2 -13.067 0.682 -1.050 7 HA PHE 2 HA PHE 2 -11.709 2.699 0.596 8 HB2 PHE 2 HB2 PHE 2 -11.774 -0.312 0.900 9 HB3 PHE 2 HB1 PHE 2 -10.998 0.815 2.006 10 HD1 PHE 2 HD1 PHE 2 -12.528 2.602 3.083 11 HD2 PHE 2 HD2 PHE 2 -13.966 -0.964 1.259 12 HE1 PHE 2 HE1 PHE 2 -14.627 2.803 4.350 13 HE2 PHE 2 HE2 PHE 2 -16.067 -0.768 2.520 14 HZ PHE 2 HZ PHE 2 -16.407 1.117 4.058 15 H ALA 3 HN ALA 3 -10.880 2.732 -1.998 16 HA ALA 3 HA ALA 3 -8.628 0.959 -2.334 17 HB1 ALA 3 HB1 ALA 3 -9.895 1.622 -4.297 18 HB2 ALA 3 HB2 ALA 3 -8.228 2.194 -4.418 19 HB3 ALA 3 HB3 ALA 3 -9.518 3.318 -3.990 20 H TRP 4 HN TRP 4 -7.414 1.509 -0.476 21 HA TRP 4 HA TRP 4 -6.015 4.061 -0.717 22 HB2 TRP 4 HB2 TRP 4 -4.955 3.008 1.523 23 HB3 TRP 4 HB1 TRP 4 -6.379 4.036 1.508 24 HD1 TRP 4 HD1 TRP 4 -5.688 0.202 1.317 25 HE1 TRP 4 HE1 TRP 4 -7.467 -0.971 2.752 26 HE3 TRP 4 HE3 TRP 4 -8.371 4.288 2.715 27 HZ2 TRP 4 HZ2 TRP 4 -9.724 -0.245 4.290 28 HZ3 TRP 4 HZ3 TRP 4 -10.331 3.978 4.174 29 HH2 TRP 4 HH2 TRP 4 -10.994 1.756 4.942 30 H ASN 5 HN ASN 5 -3.980 4.155 -1.379 31 HA ASN 5 HA ASN 5 -2.711 1.772 -2.340 32 HB2 ASN 5 HB2 ASN 5 -0.843 3.392 -2.947 33 HB3 ASN 5 HB1 ASN 5 -2.399 3.668 -3.714 34 HD21 ASN 5 HD21 ASN 5 -0.034 4.882 -1.515 35 HD22 ASN 5 HD22 ASN 5 -0.742 6.442 -1.291 36 H VAL 6 HN VAL 6 -2.024 0.444 -0.830 37 HA VAL 6 HA VAL 6 -0.832 1.275 1.621 38 HB VAL 6 HB VAL 6 -0.889 -1.460 0.326 39 HG11 VAL 6 HG11 VAL 6 -0.344 -2.324 2.538 40 HG12 VAL 6 HG12 VAL 6 -0.243 -0.681 3.167 41 HG13 VAL 6 HG13 VAL 6 0.918 -1.236 1.963 42 HG21 VAL 6 HG21 VAL 6 -3.119 -0.582 0.810 43 HG22 VAL 6 HG22 VAL 6 -2.641 -0.272 2.478 44 HG23 VAL 6 HG23 VAL 6 -2.717 -1.928 1.877 45 H CYS 7 HN CYS 7 0.986 2.364 1.411 46 HA CYS 7 HA CYS 7 3.078 1.413 -0.379 47 HB2 CYS 7 HB2 CYS 7 3.023 3.877 1.363 48 HB3 CYS 7 HB1 CYS 7 4.202 3.513 0.112 49 H VAL 8 HN VAL 8 4.874 0.436 0.264 50 HA VAL 8 HA VAL 8 5.564 0.478 3.118 51 HB VAL 8 HB VAL 8 6.281 -1.944 2.908 52 HG11 VAL 8 HG11 VAL 8 4.317 -1.301 4.175 53 HG12 VAL 8 HG12 VAL 8 4.035 -2.827 3.339 54 HG13 VAL 8 HG13 VAL 8 3.334 -1.335 2.710 55 HG21 VAL 8 HG21 VAL 8 4.522 -1.823 0.460 56 HG22 VAL 8 HG22 VAL 8 5.114 -3.304 1.214 57 HG23 VAL 8 HG23 VAL 8 6.253 -2.163 0.499 58 H TYR 9 HN TYR 9 7.787 0.192 3.536 59 HA TYR 9 HA TYR 9 9.446 1.038 1.315 60 HB2 TYR 9 HB2 TYR 9 9.982 0.782 4.274 61 HB3 TYR 9 HB1 TYR 9 11.195 1.283 3.103 62 HD1 TYR 9 HD1 TYR 9 10.841 3.403 1.805 63 HD2 TYR 9 HD2 TYR 9 8.361 2.297 5.078 64 HE1 TYR 9 HE1 TYR 9 10.071 5.729 1.998 65 HE2 TYR 9 HE2 TYR 9 7.580 4.621 5.279 66 HH TYR 9 HH TYR 9 8.092 6.947 2.893 67 H ARG 10 HN ARG 10 10.282 -0.424 0.053 68 HA ARG 10 HA ARG 10 11.173 -2.983 1.208 69 HB2 ARG 10 HB2 ARG 10 8.951 -3.134 0.027 70 HB3 ARG 10 HB1 ARG 10 9.785 -2.674 -1.450 71 HG2 ARG 10 HG2 ARG 10 11.187 -4.661 -1.282 72 HG3 ARG 10 HG1 ARG 10 10.356 -5.119 0.206 73 HD2 ARG 10 HD2 ARG 10 9.049 -4.769 -2.478 74 HD3 ARG 10 HD1 ARG 10 9.508 -6.313 -1.768 75 HE ARG 10 HE ARG 10 7.921 -5.265 0.129 76 HH11 ARG 10 HH11 ARG 10 7.495 -5.621 -3.327 77 HH12 ARG 10 HH12 ARG 10 5.777 -5.823 -3.221 78 HH21 ARG 10 HH21 ARG 10 5.653 -5.511 0.270 79 HH22 ARG 10 HH22 ARG 10 4.726 -5.761 -1.178 80 H ASN 11 HN ASN 11 13.218 -3.437 0.704 81 HA ASN 11 HA ASN 11 15.311 -3.261 -0.147 82 HB2 ASN 11 HB2 ASN 11 13.838 -2.627 -2.716 83 HB3 ASN 11 HB1 ASN 11 15.552 -3.010 -2.605 84 HD21 ASN 11 HD21 ASN 11 12.366 -4.236 -2.720 85 HD22 ASN 11 HD22 ASN 11 12.773 -5.917 -2.658 86 H GLY 12 HN GLY 12 14.001 -0.898 0.994 87 HA2 GLY 12 HA2 GLY 12 14.985 1.135 1.566 88 HA3 GLY 12 HA1 GLY 12 16.034 1.000 0.167 89 H VAL 13 HN VAL 13 12.979 0.407 -0.955 90 HA VAL 13 HA VAL 13 12.566 3.263 -1.545 91 HB VAL 13 HB VAL 13 13.529 1.948 -3.454 92 HG11 VAL 13 HG11 VAL 13 10.825 0.633 -3.462 93 HG12 VAL 13 HG12 VAL 13 12.375 -0.149 -3.142 94 HG13 VAL 13 HG13 VAL 13 12.030 0.505 -4.744 95 HG21 VAL 13 HG21 VAL 13 12.385 4.042 -3.838 96 HG22 VAL 13 HG22 VAL 13 10.830 3.211 -3.883 97 HG23 VAL 13 HG23 VAL 13 12.030 2.908 -5.140 98 H ARG 14 HN ARG 14 10.443 3.945 -1.883 99 HA ARG 14 HA ARG 14 8.477 2.508 -0.339 100 HB2 ARG 14 HB2 ARG 14 8.658 4.907 -0.081 101 HB3 ARG 14 HB1 ARG 14 8.407 5.153 -1.802 102 HG2 ARG 14 HG2 ARG 14 6.122 4.316 -1.589 103 HG3 ARG 14 HG1 ARG 14 6.378 4.068 0.142 104 HD2 ARG 14 HD2 ARG 14 6.752 6.433 0.462 105 HD3 ARG 14 HD1 ARG 14 6.635 6.720 -1.269 106 HE ARG 14 HE ARG 14 4.246 5.612 -0.692 107 HH11 ARG 14 HH11 ARG 14 6.050 8.271 0.695 108 HH12 ARG 14 HH12 ARG 14 4.637 9.125 1.221 109 HH21 ARG 14 HH21 ARG 14 2.373 6.743 0.006 110 HH22 ARG 14 HH22 ARG 14 2.546 8.251 0.841 111 H VAL 15 HN VAL 15 7.277 0.958 -1.212 112 HA VAL 15 HA VAL 15 6.431 1.268 -4.020 113 HB VAL 15 HB VAL 15 7.787 -0.736 -3.660 114 HG11 VAL 15 HG11 VAL 15 7.335 -1.166 -1.330 115 HG12 VAL 15 HG12 VAL 15 6.976 -2.598 -2.296 116 HG13 VAL 15 HG13 VAL 15 5.663 -1.576 -1.709 117 HG21 VAL 15 HG21 VAL 15 6.256 -2.387 -4.625 118 HG22 VAL 15 HG22 VAL 15 6.055 -0.799 -5.364 119 HG23 VAL 15 HG23 VAL 15 4.887 -1.371 -4.174 120 H CYS 16 HN CYS 16 4.302 1.366 -4.467 121 HA CYS 16 HA CYS 16 2.466 1.093 -2.183 122 HB2 CYS 16 HB2 CYS 16 2.233 2.992 -4.526 123 HB3 CYS 16 HB1 CYS 16 1.121 2.882 -3.168 124 H HIS 17 HN HIS 17 0.575 0.002 -2.481 125 HA HIS 17 HA HIS 17 -0.191 -0.805 -5.172 126 HB2 HIS 17 HB2 HIS 17 -0.596 -3.175 -4.308 127 HB3 HIS 17 HB1 HIS 17 1.059 -2.723 -4.665 128 HD1 HIS 17 HD1 HIS 17 -1.219 -3.620 -1.843 129 HD2 HIS 17 HD2 HIS 17 2.771 -2.629 -2.438 130 HE1 HIS 17 HE1 HIS 17 -0.059 -4.192 0.305 131 HE2 HIS 17 HE2 HIS 17 2.382 -3.810 -0.167 132 H ARG 18 HN ARG 18 -2.337 -1.528 -5.331 133 HA ARG 18 HA ARG 18 -4.026 -0.024 -3.529 134 HB2 ARG 18 HB2 ARG 18 -4.736 -1.649 -5.980 135 HB3 ARG 18 HB1 ARG 18 -5.831 -0.582 -5.114 136 HG2 ARG 18 HG2 ARG 18 -4.384 1.324 -5.660 137 HG3 ARG 18 HG1 ARG 18 -3.323 0.243 -6.564 138 HD2 ARG 18 HD2 ARG 18 -6.229 0.787 -7.159 139 HD3 ARG 18 HD1 ARG 18 -4.854 1.439 -8.042 140 HE ARG 18 HE ARG 18 -4.913 -1.436 -7.938 141 HH11 ARG 18 HH11 ARG 18 -5.919 1.418 -9.693 142 HH12 ARG 18 HH12 ARG 18 -6.265 0.555 -11.157 143 HH21 ARG 18 HH21 ARG 18 -5.334 -2.575 -9.865 144 HH22 ARG 18 HH22 ARG 18 -5.918 -1.722 -11.259 145 H ARG 19 HN ARG 19 -5.196 -0.814 -1.904 146 HA ARG 19 HA ARG 19 -5.134 -3.696 -1.462 147 HB2 ARG 19 HB2 ARG 19 -4.445 -2.113 0.343 148 HB3 ARG 19 HB1 ARG 19 -6.097 -1.516 0.391 149 HG2 ARG 19 HG2 ARG 19 -5.765 -3.083 2.174 150 HG3 ARG 19 HG1 ARG 19 -6.862 -3.787 0.988 151 HD2 ARG 19 HD2 ARG 19 -5.008 -5.065 0.036 152 HD3 ARG 19 HD1 ARG 19 -3.909 -4.356 1.214 153 HE ARG 19 HE ARG 19 -6.058 -5.603 2.555 154 HH11 ARG 19 HH11 ARG 19 -3.193 -6.371 0.695 155 HH12 ARG 19 HH12 ARG 19 -2.930 -7.898 1.469 156 HH21 ARG 19 HH21 ARG 19 -5.698 -7.622 3.599 157 HH22 ARG 19 HH22 ARG 19 -4.369 -8.621 3.110 158 H ALA 20 HN ALA 20 -6.825 -4.964 -1.769 159 HA ALA 20 HA ALA 20 -9.453 -3.712 -2.189 160 HB1 ALA 20 HB1 ALA 20 -8.419 -6.320 -3.295 161 HB2 ALA 20 HB2 ALA 20 -8.554 -4.805 -4.188 162 HB3 ALA 20 HB3 ALA 20 -10.008 -5.621 -3.607 163 H ASN 21 HN ASN 21 -7.852 -5.080 0.151 164 HA ASN 21 HA ASN 21 -10.218 -6.448 1.222 165 HB2 ASN 21 HB2 ASN 21 -8.555 -8.162 0.627 166 HB3 ASN 21 HB1 ASN 21 -7.351 -7.338 1.614 167 HD21 ASN 21 HD21 ASN 21 -7.588 -7.349 3.883 168 HD22 ASN 21 HD22 ASN 21 -8.556 -8.542 4.675 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 -14.876 1.269 -3.250 2 H2 GLY 1 HT2 GLY 1 -15.909 0.793 -2.000 3 H3 GLY 1 HT3 GLY 1 -15.926 -0.036 -3.470 4 HA2 GLY 1 HA1 GLY 1 -14.752 -1.307 -1.795 5 HA3 GLY 1 HA2 GLY 1 -13.689 -0.827 -3.110 6 H PHE 2 HN PHE 2 -12.411 -1.517 -0.958 7 HA PHE 2 HA PHE 2 -11.644 1.012 0.337 8 HB2 PHE 2 HB2 PHE 2 -10.780 -0.594 2.196 9 HB3 PHE 2 HB1 PHE 2 -12.496 -0.206 2.132 10 HD1 PHE 2 HD1 PHE 2 -14.127 -1.866 1.567 11 HD2 PHE 2 HD2 PHE 2 -9.976 -2.805 1.537 12 HE1 PHE 2 HE1 PHE 2 -14.673 -4.260 1.462 13 HE2 PHE 2 HE2 PHE 2 -10.516 -5.202 1.431 14 HZ PHE 2 HZ PHE 2 -12.867 -5.930 1.392 15 H ALA 3 HN ALA 3 -10.559 0.400 -2.043 16 HA ALA 3 HA ALA 3 -8.084 -1.029 -1.738 17 HB1 ALA 3 HB1 ALA 3 -7.602 -0.304 -3.999 18 HB2 ALA 3 HB2 ALA 3 -8.946 0.834 -3.950 19 HB3 ALA 3 HB3 ALA 3 -9.257 -0.901 -3.906 20 H TRP 4 HN TRP 4 -7.019 -0.031 -0.040 21 HA TRP 4 HA TRP 4 -6.703 2.779 0.188 22 HB2 TRP 4 HB2 TRP 4 -4.673 0.953 1.376 23 HB3 TRP 4 HB1 TRP 4 -5.432 2.369 2.068 24 HD1 TRP 4 HD1 TRP 4 -5.724 -1.383 1.896 25 HE1 TRP 4 HE1 TRP 4 -7.608 -2.161 3.453 26 HE3 TRP 4 HE3 TRP 4 -7.763 3.150 2.918 27 HZ2 TRP 4 HZ2 TRP 4 -9.729 -0.970 4.923 28 HZ3 TRP 4 HZ3 TRP 4 -9.729 3.267 4.403 29 HH2 TRP 4 HH2 TRP 4 -10.691 1.247 5.384 30 H ASN 5 HN ASN 5 -5.352 4.085 -0.900 31 HA ASN 5 HA ASN 5 -3.220 2.980 -2.485 32 HB2 ASN 5 HB2 ASN 5 -2.665 5.333 -3.022 33 HB3 ASN 5 HB1 ASN 5 -4.361 4.982 -3.303 34 HD21 ASN 5 HD21 ASN 5 -2.096 6.880 -1.585 35 HD22 ASN 5 HD22 ASN 5 -3.228 7.853 -0.712 36 H VAL 6 HN VAL 6 -1.663 2.051 -1.346 37 HA VAL 6 HA VAL 6 -0.617 3.490 0.983 38 HB VAL 6 HB VAL 6 -1.941 1.726 1.884 39 HG11 VAL 6 HG11 VAL 6 -0.487 -0.194 0.082 40 HG12 VAL 6 HG12 VAL 6 -2.154 0.347 -0.113 41 HG13 VAL 6 HG13 VAL 6 -1.700 -0.613 1.294 42 HG21 VAL 6 HG21 VAL 6 -0.278 0.344 3.048 43 HG22 VAL 6 HG22 VAL 6 0.173 2.050 3.009 44 HG23 VAL 6 HG23 VAL 6 0.956 0.905 1.919 45 H CYS 7 HN CYS 7 1.392 3.952 0.824 46 HA CYS 7 HA CYS 7 3.135 2.507 -1.016 47 HB2 CYS 7 HB2 CYS 7 3.799 4.997 0.551 48 HB3 CYS 7 HB1 CYS 7 4.613 4.376 -0.880 49 H VAL 8 HN VAL 8 4.625 1.116 -0.330 50 HA VAL 8 HA VAL 8 5.202 1.087 2.563 51 HB VAL 8 HB VAL 8 5.475 -1.363 2.424 52 HG11 VAL 8 HG11 VAL 8 3.382 -0.449 3.219 53 HG12 VAL 8 HG12 VAL 8 3.090 -1.925 2.297 54 HG13 VAL 8 HG13 VAL 8 2.771 -0.351 1.567 55 HG21 VAL 8 HG21 VAL 8 5.977 -1.544 0.040 56 HG22 VAL 8 HG22 VAL 8 4.322 -1.074 -0.346 57 HG23 VAL 8 HG23 VAL 8 4.634 -2.591 0.492 58 H TYR 9 HN TYR 9 7.252 0.129 3.124 59 HA TYR 9 HA TYR 9 9.278 0.730 1.105 60 HB2 TYR 9 HB2 TYR 9 9.440 0.532 4.115 61 HB3 TYR 9 HB1 TYR 9 10.829 0.787 3.067 62 HD1 TYR 9 HD1 TYR 9 11.158 2.913 1.927 63 HD2 TYR 9 HD2 TYR 9 7.811 2.284 4.473 64 HE1 TYR 9 HE1 TYR 9 10.761 5.337 1.990 65 HE2 TYR 9 HE2 TYR 9 7.401 4.705 4.539 66 HH TYR 9 HH TYR 9 8.942 6.897 2.425 67 H ARG 10 HN ARG 10 9.726 -1.000 -0.028 68 HA ARG 10 HA ARG 10 9.898 -3.603 1.334 69 HB2 ARG 10 HB2 ARG 10 8.172 -3.448 -0.422 70 HB3 ARG 10 HB1 ARG 10 9.407 -2.986 -1.585 71 HG2 ARG 10 HG2 ARG 10 10.502 -5.165 -1.242 72 HG3 ARG 10 HG1 ARG 10 9.195 -5.625 -0.149 73 HD2 ARG 10 HD2 ARG 10 8.784 -6.533 -2.350 74 HD3 ARG 10 HD1 ARG 10 7.586 -5.294 -1.976 75 HE ARG 10 HE ARG 10 9.940 -4.529 -3.541 76 HH11 ARG 10 HH11 ARG 10 6.492 -5.132 -3.392 77 HH12 ARG 10 HH12 ARG 10 6.176 -4.447 -4.954 78 HH21 ARG 10 HH21 ARG 10 9.521 -3.596 -5.587 79 HH22 ARG 10 HH22 ARG 10 7.900 -3.570 -6.201 80 H ASN 11 HN ASN 11 11.978 -3.794 1.901 81 HA ASN 11 HA ASN 11 14.204 -4.211 1.698 82 HB2 ASN 11 HB2 ASN 11 13.681 -4.388 -1.280 83 HB3 ASN 11 HB1 ASN 11 15.071 -5.036 -0.424 84 HD21 ASN 11 HD21 ASN 11 13.392 -5.985 1.814 85 HD22 ASN 11 HD22 ASN 11 12.591 -7.394 1.217 86 H GLY 12 HN GLY 12 13.139 -1.457 1.496 87 HA2 GLY 12 HA2 GLY 12 14.673 0.398 1.695 88 HA3 GLY 12 HA1 GLY 12 15.582 -0.270 0.353 89 H VAL 13 HN VAL 13 12.867 -0.766 -1.038 90 HA VAL 13 HA VAL 13 12.785 1.940 -2.161 91 HB VAL 13 HB VAL 13 13.266 0.130 -3.746 92 HG11 VAL 13 HG11 VAL 13 12.016 -1.681 -2.725 93 HG12 VAL 13 HG12 VAL 13 11.528 -1.461 -4.404 94 HG13 VAL 13 HG13 VAL 13 10.500 -0.865 -3.102 95 HG21 VAL 13 HG21 VAL 13 10.613 1.472 -4.207 96 HG22 VAL 13 HG22 VAL 13 11.610 0.727 -5.457 97 HG23 VAL 13 HG23 VAL 13 12.205 2.136 -4.578 98 H ARG 14 HN ARG 14 10.974 3.126 -2.321 99 HA ARG 14 HA ARG 14 8.695 2.290 -0.702 100 HB2 ARG 14 HB2 ARG 14 9.580 4.492 -0.222 101 HB3 ARG 14 HB1 ARG 14 9.451 4.956 -1.912 102 HG2 ARG 14 HG2 ARG 14 7.047 4.899 -1.794 103 HG3 ARG 14 HG1 ARG 14 7.111 4.286 -0.142 104 HD2 ARG 14 HD2 ARG 14 8.074 6.331 0.648 105 HD3 ARG 14 HD1 ARG 14 8.267 6.934 -0.996 106 HE ARG 14 HE ARG 14 5.810 7.004 -1.122 107 HH11 ARG 14 HH11 ARG 14 7.315 6.957 2.053 108 HH12 ARG 14 HH12 ARG 14 5.979 7.749 2.825 109 HH21 ARG 14 HH21 ARG 14 4.063 8.058 -0.094 110 HH22 ARG 14 HH22 ARG 14 4.142 8.378 1.610 111 H VAL 15 HN VAL 15 7.046 1.333 -1.655 112 HA VAL 15 HA VAL 15 6.453 2.023 -4.457 113 HB VAL 15 HB VAL 15 7.435 -0.203 -4.319 114 HG11 VAL 15 HG11 VAL 15 6.860 -0.822 -2.066 115 HG12 VAL 15 HG12 VAL 15 6.276 -2.048 -3.193 116 HG13 VAL 15 HG13 VAL 15 5.150 -0.885 -2.491 117 HG21 VAL 15 HG21 VAL 15 5.785 0.201 -6.048 118 HG22 VAL 15 HG22 VAL 15 4.491 -0.272 -4.946 119 HG23 VAL 15 HG23 VAL 15 5.677 -1.464 -5.476 120 H CYS 16 HN CYS 16 4.472 2.764 -4.828 121 HA CYS 16 HA CYS 16 2.476 2.549 -2.702 122 HB2 CYS 16 HB2 CYS 16 2.447 4.264 -5.184 123 HB3 CYS 16 HB1 CYS 16 1.316 4.358 -3.841 124 H HIS 17 HN HIS 17 0.703 1.360 -2.884 125 HA HIS 17 HA HIS 17 -0.230 0.500 -5.500 126 HB2 HIS 17 HB2 HIS 17 -0.418 -1.888 -4.653 127 HB3 HIS 17 HB1 HIS 17 1.193 -1.340 -5.071 128 HD1 HIS 17 HD1 HIS 17 -0.955 -1.726 -1.957 129 HD2 HIS 17 HD2 HIS 17 3.026 -1.852 -3.129 130 HE1 HIS 17 HE1 HIS 17 0.330 -2.323 0.114 131 HE2 HIS 17 HE2 HIS 17 2.690 -2.692 -0.707 132 H ARG 18 HN ARG 18 -2.329 -0.547 -5.390 133 HA ARG 18 HA ARG 18 -3.938 0.704 -3.291 134 HB2 ARG 18 HB2 ARG 18 -4.673 -0.486 -5.965 135 HB3 ARG 18 HB1 ARG 18 -5.858 0.093 -4.805 136 HG2 ARG 18 HG2 ARG 18 -4.873 2.330 -4.918 137 HG3 ARG 18 HG1 ARG 18 -3.706 1.745 -6.107 138 HD2 ARG 18 HD2 ARG 18 -5.492 1.227 -7.653 139 HD3 ARG 18 HD1 ARG 18 -6.699 1.673 -6.450 140 HE ARG 18 HE ARG 18 -4.990 3.859 -6.887 141 HH11 ARG 18 HH11 ARG 18 -7.457 2.015 -8.534 142 HH12 ARG 18 HH12 ARG 18 -8.016 3.353 -9.484 143 HH21 ARG 18 HH21 ARG 18 -5.712 5.638 -8.146 144 HH22 ARG 18 HH22 ARG 18 -7.009 5.415 -9.275 145 H ARG 19 HN ARG 19 -3.838 -0.601 -1.561 146 HA ARG 19 HA ARG 19 -3.950 -3.472 -1.795 147 HB2 ARG 19 HB2 ARG 19 -2.555 -2.369 -0.102 148 HB3 ARG 19 HB1 ARG 19 -3.992 -1.691 0.646 149 HG2 ARG 19 HG2 ARG 19 -3.855 -3.466 1.993 150 HG3 ARG 19 HG1 ARG 19 -4.590 -4.337 0.649 151 HD2 ARG 19 HD2 ARG 19 -1.622 -4.069 1.101 152 HD3 ARG 19 HD1 ARG 19 -2.586 -5.452 1.605 153 HE ARG 19 HE ARG 19 -2.948 -4.999 -1.157 154 HH11 ARG 19 HH11 ARG 19 -0.549 -6.131 1.113 155 HH12 ARG 19 HH12 ARG 19 0.205 -7.209 -0.015 156 HH21 ARG 19 HH21 ARG 19 -1.961 -6.419 -2.661 157 HH22 ARG 19 HH22 ARG 19 -0.603 -7.379 -2.164 158 H ALA 20 HN ALA 20 -5.699 -4.701 -1.684 159 HA ALA 20 HA ALA 20 -8.257 -3.414 -1.028 160 HB1 ALA 20 HB1 ALA 20 -9.313 -5.200 -2.299 161 HB2 ALA 20 HB2 ALA 20 -7.746 -5.969 -2.549 162 HB3 ALA 20 HB3 ALA 20 -8.080 -4.394 -3.270 163 H ASN 21 HN ASN 21 -6.628 -4.119 1.106 164 HA ASN 21 HA ASN 21 -7.961 -6.508 2.187 165 HB2 ASN 21 HB2 ASN 21 -5.269 -5.334 2.908 166 HB3 ASN 21 HB1 ASN 21 -6.045 -6.639 3.796 167 HD21 ASN 21 HD21 ASN 21 -7.135 -7.745 1.251 168 HD22 ASN 21 HD22 ASN 21 -5.799 -8.554 0.514
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