NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
618867 | 5xdi | 36068 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 PHE 1 HT1 PHE 1 -7.245 -1.082 5.279 2 H2 PHE 1 HT2 PHE 1 -6.055 0.109 5.436 3 H3 PHE 1 HT3 PHE 1 -5.652 -1.520 5.643 4 HA PHE 1 HA PHE 1 -4.904 -0.712 3.503 5 HB2 PHE 1 HB2 PHE 1 -7.148 -2.733 3.509 6 HB3 PHE 1 HB1 PHE 1 -6.160 -2.413 2.088 7 HD1 PHE 1 HD1 PHE 1 -6.212 -3.834 5.458 8 HD2 PHE 1 HD2 PHE 1 -3.873 -3.142 1.971 9 HE1 PHE 1 HE1 PHE 1 -4.542 -5.453 6.264 10 HE2 PHE 1 HE2 PHE 1 -2.198 -4.758 2.772 11 HZ PHE 1 HZ PHE 1 -2.532 -5.918 4.918 12 H GLN 2 HN GLN 2 -5.227 0.449 1.691 13 HA GLN 2 HA GLN 2 -7.916 1.399 1.025 14 HB2 GLN 2 HB2 GLN 2 -5.550 3.216 1.506 15 HB3 GLN 2 HB1 GLN 2 -7.044 3.729 0.738 16 HG2 GLN 2 HG2 GLN 2 -8.256 3.116 2.814 17 HG3 GLN 2 HG1 GLN 2 -6.701 2.763 3.566 18 HE21 GLN 2 HE21 GLN 2 -5.301 4.451 4.054 19 HE22 GLN 2 HE22 GLN 2 -5.827 6.096 4.109 20 H CYS 3 HN CYS 3 -4.565 1.055 0.153 21 HA CYS 3 HA CYS 3 -5.081 1.622 -2.668 22 HB2 CYS 3 HB2 CYS 3 -3.175 2.733 -1.655 23 HB3 CYS 3 HB1 CYS 3 -2.526 1.197 -1.100 24 H GLY 4 HN GLY 4 -3.700 0.202 -4.200 25 HA2 GLY 4 HA2 GLY 4 -3.274 -1.792 -5.225 26 HA3 GLY 4 HA1 GLY 4 -3.058 -2.473 -3.630 27 H ARG 5 HN ARG 5 -3.895 -4.359 -4.744 28 HA ARG 5 HA ARG 5 -6.661 -4.453 -5.501 29 HB2 ARG 5 HB2 ARG 5 -6.236 -6.909 -5.775 30 HB3 ARG 5 HB1 ARG 5 -5.141 -5.884 -6.692 31 HG2 ARG 5 HG2 ARG 5 -3.660 -6.182 -4.503 32 HG3 ARG 5 HG1 ARG 5 -4.593 -7.679 -4.405 33 HD2 ARG 5 HD2 ARG 5 -3.972 -8.154 -6.750 34 HD3 ARG 5 HD1 ARG 5 -2.949 -6.718 -6.733 35 HE ARG 5 HE ARG 5 -2.250 -8.419 -4.590 36 HH11 ARG 5 HH11 ARG 5 -1.939 -8.232 -8.084 37 HH12 ARG 5 HH12 ARG 5 -0.491 -9.182 -8.120 38 HH21 ARG 5 HH21 ARG 5 0.405 -9.988 -6.184 39 HH22 ARG 5 HH22 ARG 5 -0.353 -9.658 -4.662 40 H GLN 6 HN GLN 6 -5.052 -4.628 -2.515 41 HA GLN 6 HA GLN 6 -6.612 -6.526 -1.103 42 HB2 GLN 6 HB2 GLN 6 -4.438 -4.957 -0.501 43 HB3 GLN 6 HB1 GLN 6 -5.707 -4.200 0.450 44 HG2 GLN 6 HG2 GLN 6 -4.976 -7.132 0.564 45 HG3 GLN 6 HG1 GLN 6 -4.445 -5.908 1.716 46 HE21 GLN 6 HE21 GLN 6 -7.119 -7.811 0.572 47 HE22 GLN 6 HE22 GLN 6 -8.172 -7.511 1.909 48 H ALA 7 HN ALA 7 -7.218 -3.419 -2.296 49 HA ALA 7 HA ALA 7 -9.775 -3.195 -0.876 50 HB1 ALA 7 HB1 ALA 7 -9.483 -0.772 -0.869 51 HB2 ALA 7 HB2 ALA 7 -7.907 -0.963 -1.639 52 HB3 ALA 7 HB3 ALA 7 -8.170 -1.574 -0.006 53 H GLY 8 HN GLY 8 -7.897 -2.576 -3.759 54 HA2 GLY 8 HA2 GLY 8 -9.469 -3.267 -5.764 55 HA3 GLY 8 HA1 GLY 8 -10.243 -1.760 -5.299 56 H GLY 9 HN GLY 9 -8.757 0.157 -5.171 57 HA2 GLY 9 HA2 GLY 9 -6.276 0.276 -6.474 58 HA3 GLY 9 HA1 GLY 9 -7.524 0.605 -7.665 59 H ALA 10 HN ALA 10 -6.135 1.693 -4.594 60 HA ALA 10 HA ALA 10 -6.866 4.449 -5.277 61 HB1 ALA 10 HB1 ALA 10 -8.653 3.636 -3.802 62 HB2 ALA 10 HB2 ALA 10 -7.708 4.910 -3.031 63 HB3 ALA 10 HB3 ALA 10 -7.453 3.226 -2.576 64 H ARG 11 HN ARG 11 -5.928 5.845 -3.181 65 HA ARG 11 HA ARG 11 -3.218 4.918 -2.543 66 HB2 ARG 11 HB2 ARG 11 -3.910 7.515 -3.924 67 HB3 ARG 11 HB1 ARG 11 -2.398 7.283 -3.059 68 HG2 ARG 11 HG2 ARG 11 -1.803 5.455 -4.552 69 HG3 ARG 11 HG1 ARG 11 -3.337 5.641 -5.404 70 HD2 ARG 11 HD2 ARG 11 -1.331 7.870 -5.155 71 HD3 ARG 11 HD1 ARG 11 -1.300 6.708 -6.480 72 HE ARG 11 HE ARG 11 -3.878 7.826 -6.269 73 HH11 ARG 11 HH11 ARG 11 -0.643 8.742 -7.286 74 HH12 ARG 11 HH12 ARG 11 -1.209 9.936 -8.406 75 HH21 ARG 11 HH21 ARG 11 -4.596 9.393 -7.741 76 HH22 ARG 11 HH22 ARG 11 -3.445 10.303 -8.663 77 H CYS 12 HN CYS 12 -2.238 6.072 -0.718 78 HA CYS 12 HA CYS 12 -4.262 6.772 1.233 79 HB2 CYS 12 HB2 CYS 12 -1.306 6.332 1.416 80 HB3 CYS 12 HB1 CYS 12 -2.206 7.007 2.768 81 H SER 13 HN SER 13 -1.382 8.483 1.881 82 HA SER 13 HA SER 13 -2.787 10.958 2.030 83 HB2 SER 13 HB2 SER 13 -1.074 10.267 3.701 84 HB3 SER 13 HB1 SER 13 0.166 10.439 2.460 85 HG SER 13 HG SER 13 -1.148 12.363 3.924 86 H ASN 14 HN ASN 14 0.247 10.243 0.361 87 HA ASN 14 HA ASN 14 -0.605 11.837 -1.948 88 HB2 ASN 14 HB2 ASN 14 1.891 12.313 -0.305 89 HB3 ASN 14 HB1 ASN 14 1.715 12.909 -1.952 90 HD21 ASN 14 HD21 ASN 14 0.239 14.552 -2.381 91 HD22 ASN 14 HD22 ASN 14 -0.425 15.537 -1.126 92 H GLY 15 HN GLY 15 1.917 11.771 -3.275 93 HA2 GLY 15 HA2 GLY 15 1.855 9.102 -4.318 94 HA3 GLY 15 HA1 GLY 15 2.935 10.396 -4.821 95 H LEU 16 HN LEU 16 2.335 8.360 -1.998 96 HA LEU 16 HA LEU 16 5.149 8.343 -1.276 97 HB2 LEU 16 HB2 LEU 16 3.987 6.805 0.627 98 HB3 LEU 16 HB1 LEU 16 4.067 8.551 0.715 99 HG LEU 16 HG LEU 16 1.737 8.493 -0.426 100 HD11 LEU 16 HD11 LEU 16 0.393 6.588 -0.128 101 HD12 LEU 16 HD12 LEU 16 1.650 5.758 0.788 102 HD13 LEU 16 HD13 LEU 16 1.863 6.049 -0.938 103 HD21 LEU 16 HD21 LEU 16 2.115 7.603 2.414 104 HD22 LEU 16 HD22 LEU 16 0.628 8.266 1.742 105 HD23 LEU 16 HD23 LEU 16 2.077 9.265 1.825 106 H CYS 17 HN CYS 17 3.453 5.513 -0.382 107 HA CYS 17 HA CYS 17 4.490 3.909 -2.594 108 HB2 CYS 17 HB2 CYS 17 5.623 2.334 -1.089 109 HB3 CYS 17 HB1 CYS 17 6.291 3.946 -0.863 110 H CYS 18 HN CYS 18 3.701 1.618 -2.438 111 HA CYS 18 HA CYS 18 1.252 1.301 -0.877 112 HB2 CYS 18 HB2 CYS 18 0.562 2.235 -3.026 113 HB3 CYS 18 HB1 CYS 18 1.402 0.944 -3.874 114 H SER 19 HN SER 19 1.452 -0.486 0.235 115 HA SER 19 HA SER 19 3.438 -2.416 -0.070 116 HB2 SER 19 HB2 SER 19 0.835 -2.499 1.445 117 HB3 SER 19 HB1 SER 19 2.055 -3.764 1.554 118 HG SER 19 HG SER 19 2.869 -1.121 1.935 119 H GLN 20 HN GLN 20 3.371 -4.618 -0.493 120 HA GLN 20 HA GLN 20 2.668 -5.470 -2.934 121 HB2 GLN 20 HB2 GLN 20 3.002 -7.039 -0.407 122 HB3 GLN 20 HB1 GLN 20 2.745 -7.831 -1.954 123 HG2 GLN 20 HG2 GLN 20 4.762 -6.798 -2.835 124 HG3 GLN 20 HG1 GLN 20 5.008 -5.953 -1.308 125 HE21 GLN 20 HE21 GLN 20 5.129 -9.010 -2.950 126 HE22 GLN 20 HE22 GLN 20 6.025 -9.857 -1.739 127 H PHE 21 HN PHE 21 0.584 -5.766 -0.137 128 HA PHE 21 HA PHE 21 -1.476 -7.164 -1.619 129 HB2 PHE 21 HB2 PHE 21 -1.320 -6.136 1.207 130 HB3 PHE 21 HB1 PHE 21 -2.770 -6.874 0.544 131 HD1 PHE 21 HD1 PHE 21 -2.870 -9.218 0.078 132 HD2 PHE 21 HD2 PHE 21 0.636 -7.426 1.676 133 HE1 PHE 21 HE1 PHE 21 -2.010 -11.456 0.675 134 HE2 PHE 21 HE2 PHE 21 1.513 -9.655 2.279 135 HZ PHE 21 HZ PHE 21 0.186 -11.672 1.776 136 H GLY 22 HN GLY 22 -0.922 -4.022 -0.225 137 HA2 GLY 22 HA2 GLY 22 -1.866 -2.242 -1.827 138 HA3 GLY 22 HA1 GLY 22 -3.401 -2.985 -1.393 139 H TYR 23 HN TYR 23 -0.516 -2.183 0.514 140 HA TYR 23 HA TYR 23 -2.236 -0.470 2.180 141 HB2 TYR 23 HB2 TYR 23 -1.062 -2.723 3.109 142 HB3 TYR 23 HB1 TYR 23 0.221 -1.558 3.431 143 HD1 TYR 23 HD1 TYR 23 -1.986 -3.222 5.172 144 HD2 TYR 23 HD2 TYR 23 -1.286 0.858 4.187 145 HE1 TYR 23 HE1 TYR 23 -3.188 -2.531 7.206 146 HE2 TYR 23 HE2 TYR 23 -2.488 1.562 6.218 147 HH TYR 23 HH TYR 23 -3.296 -0.591 8.713 148 H CYS 24 HN CYS 24 -1.842 1.509 1.592 149 HA CYS 24 HA CYS 24 0.844 2.364 0.878 150 HB2 CYS 24 HB2 CYS 24 -0.456 4.564 0.408 151 HB3 CYS 24 HB1 CYS 24 -0.728 3.190 -0.653 152 H GLY 25 HN GLY 25 1.939 4.045 1.831 153 HA2 GLY 25 HA2 GLY 25 1.001 5.449 4.129 154 HA3 GLY 25 HA1 GLY 25 2.070 4.129 4.581 155 H SER 26 HN SER 26 3.067 6.303 5.389 156 HA SER 26 HA SER 26 5.261 6.937 3.557 157 HB2 SER 26 HB2 SER 26 5.004 9.427 4.261 158 HB3 SER 26 HB1 SER 26 3.915 8.813 3.022 159 HG SER 26 HG SER 26 3.163 10.039 5.106 160 H THR 27 HN THR 27 4.356 5.869 6.461 161 HA THR 27 HA THR 27 6.855 6.529 7.718 162 HB THR 27 HB THR 27 5.882 8.478 8.515 163 HG1 THR 27 HG1 THR 27 6.349 6.586 10.236 164 HG21 THR 27 HG21 THR 27 3.328 7.059 9.276 165 HG22 THR 27 HG22 THR 27 3.553 7.911 7.747 166 HG23 THR 27 HG23 THR 27 3.640 8.796 9.270 167 HA PRO 28 HA PRO 28 4.661 3.076 10.270 168 HB2 PRO 28 HB2 PRO 28 2.429 1.997 8.767 169 HB3 PRO 28 HB1 PRO 28 2.387 2.846 10.321 170 HG2 PRO 28 HG2 PRO 28 1.292 3.864 8.070 171 HG3 PRO 28 HG1 PRO 28 1.966 4.874 9.366 172 HD2 PRO 28 HD2 PRO 28 3.292 4.000 6.798 173 HD3 PRO 28 HD1 PRO 28 3.188 5.632 7.500 174 HA PRO 29 HA PRO 29 6.404 -0.587 8.240 175 HB2 PRO 29 HB2 PRO 29 4.066 -2.344 8.787 176 HB3 PRO 29 HB1 PRO 29 5.754 -2.522 9.302 177 HG2 PRO 29 HG2 PRO 29 3.913 -1.845 11.051 178 HG3 PRO 29 HG1 PRO 29 5.511 -1.067 11.079 179 HD2 PRO 29 HD2 PRO 29 2.937 -0.024 9.955 180 HD3 PRO 29 HD1 PRO 29 4.128 0.801 10.982 181 H TYR 30 HN TYR 30 5.125 1.053 6.478 182 HA TYR 30 HA TYR 30 4.379 -0.755 4.291 183 HB2 TYR 30 HB2 TYR 30 2.956 1.887 4.546 184 HB3 TYR 30 HB1 TYR 30 2.487 0.467 3.624 185 HD1 TYR 30 HD1 TYR 30 1.672 2.393 6.388 186 HD2 TYR 30 HD2 TYR 30 2.039 -1.679 5.218 187 HE1 TYR 30 HE1 TYR 30 0.170 1.730 8.222 188 HE2 TYR 30 HE2 TYR 30 0.540 -2.353 7.048 189 HH TYR 30 HH TYR 30 -0.210 -1.491 9.221 190 H CYS 31 HN CYS 31 5.634 2.219 5.540 191 HA CYS 31 HA CYS 31 7.249 2.629 3.151 192 HB2 CYS 31 HB2 CYS 31 5.100 4.353 3.931 193 HB3 CYS 31 HB1 CYS 31 6.625 5.209 4.133 194 H GLY 32 HN GLY 32 8.825 1.658 4.466 195 HA2 GLY 32 HA2 GLY 32 10.785 3.137 5.536 196 HA3 GLY 32 HA1 GLY 32 9.688 2.971 6.905 197 H ALA 33 HN ALA 33 8.843 0.635 7.125 198 HA ALA 33 HA ALA 33 10.614 -1.501 6.390 199 HB1 ALA 33 HB1 ALA 33 10.465 -0.738 9.319 200 HB2 ALA 33 HB2 ALA 33 11.882 -0.564 8.284 201 HB3 ALA 33 HB3 ALA 33 11.257 -2.170 8.659 202 H GLY 34 HN GLY 34 9.024 -2.737 5.655 203 HA2 GLY 34 HA2 GLY 34 7.343 -4.176 7.381 204 HA3 GLY 34 HA1 GLY 34 6.407 -2.871 6.667 205 H GLN 35 HN GLN 35 5.769 -2.982 4.585 206 HA GLN 35 HA GLN 35 6.680 -5.212 2.920 207 HB2 GLN 35 HB2 GLN 35 4.206 -5.533 2.242 208 HB3 GLN 35 HB1 GLN 35 4.749 -6.227 3.759 209 HG2 GLN 35 HG2 GLN 35 3.725 -4.412 4.995 210 HG3 GLN 35 HG1 GLN 35 3.260 -3.618 3.494 211 HE21 GLN 35 HE21 GLN 35 2.629 -6.250 5.666 212 HE22 GLN 35 HE22 GLN 35 1.100 -6.704 5.003 213 H CYS 36 HN CYS 36 7.650 -2.823 2.487 214 HA CYS 36 HA CYS 36 6.075 -1.170 0.742 215 HB2 CYS 36 HB2 CYS 36 8.206 0.069 0.421 216 HB3 CYS 36 HB1 CYS 36 7.794 -0.166 2.117 217 H GLN 37 HN GLN 37 5.584 -1.660 -1.296 218 HA GLN 37 HA GLN 37 7.346 -3.394 -2.859 219 HB2 GLN 37 HB2 GLN 37 4.811 -3.750 -2.607 220 HB3 GLN 37 HB1 GLN 37 4.632 -2.381 -3.692 221 HG2 GLN 37 HG2 GLN 37 6.094 -3.653 -5.317 222 HG3 GLN 37 HG1 GLN 37 5.876 -5.050 -4.264 223 HE21 GLN 37 HE21 GLN 37 3.875 -6.048 -4.158 224 HE22 GLN 37 HE22 GLN 37 2.617 -5.733 -5.299 225 H SER 38 HN SER 38 5.689 -0.247 -3.135 226 HA SER 38 HA SER 38 7.013 0.430 -5.590 227 HB2 SER 38 HB2 SER 38 5.198 2.027 -3.785 228 HB3 SER 38 HB1 SER 38 5.824 2.620 -5.323 229 HG SER 38 HG SER 38 4.065 0.456 -4.855 230 H GLN 39 HN GLN 39 7.034 1.914 -2.377 231 HA GLN 39 HA GLN 39 9.852 2.629 -2.724 232 HB2 GLN 39 HB2 GLN 39 7.598 4.516 -2.598 233 HB3 GLN 39 HB1 GLN 39 8.901 4.878 -1.474 234 HG2 GLN 39 HG2 GLN 39 10.492 4.877 -3.339 235 HG3 GLN 39 HG1 GLN 39 9.168 4.540 -4.453 236 HE21 GLN 39 HE21 GLN 39 10.655 6.908 -2.394 237 HE22 GLN 39 HE22 GLN 39 9.800 8.278 -3.008 238 H CYS 40 HN CYS 40 10.978 3.078 -0.762 239 HA CYS 40 HA CYS 40 9.578 2.298 1.702 240 HB2 CYS 40 HB2 CYS 40 11.361 0.641 0.394 241 HB3 CYS 40 HB1 CYS 40 12.366 1.416 1.614 Start of MODEL 2 1 H1 PHE 1 HT1 PHE 1 -6.367 -3.102 1.794 2 H2 PHE 1 HT2 PHE 1 -5.839 -1.728 0.963 3 H3 PHE 1 HT3 PHE 1 -7.436 -2.257 0.793 4 HA PHE 1 HA PHE 1 -7.882 -1.780 3.096 5 HB2 PHE 1 HB2 PHE 1 -5.069 -0.662 3.142 6 HB3 PHE 1 HB1 PHE 1 -6.226 -0.595 4.465 7 HD1 PHE 1 HD1 PHE 1 -3.881 -2.692 2.617 8 HD2 PHE 1 HD2 PHE 1 -6.738 -2.578 5.769 9 HE1 PHE 1 HE1 PHE 1 -3.025 -4.837 3.469 10 HE2 PHE 1 HE2 PHE 1 -5.889 -4.724 6.623 11 HZ PHE 1 HZ PHE 1 -4.031 -5.856 5.472 12 H GLN 2 HN GLN 2 -5.719 0.322 1.272 13 HA GLN 2 HA GLN 2 -7.888 2.185 0.690 14 HB2 GLN 2 HB2 GLN 2 -5.399 2.922 2.231 15 HB3 GLN 2 HB1 GLN 2 -6.316 4.118 1.326 16 HG2 GLN 2 HG2 GLN 2 -8.293 3.624 2.673 17 HG3 GLN 2 HG1 GLN 2 -7.375 2.424 3.579 18 HE21 GLN 2 HE21 GLN 2 -5.799 3.104 5.031 19 HE22 GLN 2 HE22 GLN 2 -5.721 4.730 5.608 20 H CYS 3 HN CYS 3 -5.190 0.488 -0.219 21 HA CYS 3 HA CYS 3 -5.007 1.854 -2.789 22 HB2 CYS 3 HB2 CYS 3 -3.236 2.935 -1.514 23 HB3 CYS 3 HB1 CYS 3 -2.626 1.379 -0.970 24 H GLY 4 HN GLY 4 -3.779 0.535 -4.390 25 HA2 GLY 4 HA2 GLY 4 -3.223 -1.414 -5.460 26 HA3 GLY 4 HA1 GLY 4 -2.950 -2.120 -3.881 27 H ARG 5 HN ARG 5 -3.745 -4.082 -4.585 28 HA ARG 5 HA ARG 5 -6.480 -4.316 -5.505 29 HB2 ARG 5 HB2 ARG 5 -5.938 -6.795 -5.557 30 HB3 ARG 5 HB1 ARG 5 -4.998 -5.771 -6.628 31 HG2 ARG 5 HG2 ARG 5 -3.254 -5.770 -4.725 32 HG3 ARG 5 HG1 ARG 5 -4.147 -7.177 -4.133 33 HD2 ARG 5 HD2 ARG 5 -3.904 -8.208 -6.356 34 HD3 ARG 5 HD1 ARG 5 -2.920 -6.833 -6.855 35 HE ARG 5 HE ARG 5 -1.795 -7.921 -4.535 36 HH11 ARG 5 HH11 ARG 5 -2.247 -8.833 -7.896 37 HH12 ARG 5 HH12 ARG 5 -0.846 -9.850 -7.928 38 HH21 ARG 5 HH21 ARG 5 0.445 -10.089 -6.063 39 HH22 ARG 5 HH22 ARG 5 0.035 -9.257 -4.601 40 H GLN 6 HN GLN 6 -4.926 -4.310 -2.476 41 HA GLN 6 HA GLN 6 -6.502 -6.183 -1.039 42 HB2 GLN 6 HB2 GLN 6 -4.324 -4.681 -0.431 43 HB3 GLN 6 HB1 GLN 6 -5.573 -3.779 0.411 44 HG2 GLN 6 HG2 GLN 6 -5.114 -6.741 0.770 45 HG3 GLN 6 HG1 GLN 6 -4.396 -5.506 1.797 46 HE21 GLN 6 HE21 GLN 6 -7.286 -7.203 0.941 47 HE22 GLN 6 HE22 GLN 6 -8.260 -6.641 2.252 48 H ALA 7 HN ALA 7 -7.018 -2.974 -2.159 49 HA ALA 7 HA ALA 7 -9.440 -2.584 -0.574 50 HB1 ALA 7 HB1 ALA 7 -9.347 -0.283 -1.375 51 HB2 ALA 7 HB2 ALA 7 -7.967 -0.691 -2.394 52 HB3 ALA 7 HB3 ALA 7 -7.817 -0.758 -0.639 53 H GLY 8 HN GLY 8 -8.297 -3.011 -3.844 54 HA2 GLY 8 HA2 GLY 8 -9.755 -4.192 -5.411 55 HA3 GLY 8 HA1 GLY 8 -11.093 -3.253 -4.768 56 H GLY 9 HN GLY 9 -9.908 -0.715 -4.751 57 HA2 GLY 9 HA2 GLY 9 -8.671 0.053 -7.150 58 HA3 GLY 9 HA1 GLY 9 -10.410 0.161 -7.376 59 H ALA 10 HN ALA 10 -8.176 0.936 -4.714 60 HA ALA 10 HA ALA 10 -9.467 3.572 -4.478 61 HB1 ALA 10 HB1 ALA 10 -8.740 3.556 -2.145 62 HB2 ALA 10 HB2 ALA 10 -7.948 2.000 -2.394 63 HB3 ALA 10 HB3 ALA 10 -9.702 2.125 -2.516 64 H ARG 11 HN ARG 11 -7.576 4.932 -2.981 65 HA ARG 11 HA ARG 11 -5.080 4.868 -4.520 66 HB2 ARG 11 HB2 ARG 11 -6.908 7.251 -4.237 67 HB3 ARG 11 HB1 ARG 11 -5.202 7.420 -4.625 68 HG2 ARG 11 HG2 ARG 11 -5.527 6.082 -6.646 69 HG3 ARG 11 HG1 ARG 11 -7.238 5.909 -6.255 70 HD2 ARG 11 HD2 ARG 11 -5.911 8.586 -6.608 71 HD3 ARG 11 HD1 ARG 11 -6.629 7.699 -7.950 72 HE ARG 11 HE ARG 11 -8.496 7.934 -5.846 73 HH11 ARG 11 HH11 ARG 11 -6.990 9.898 -8.337 74 HH12 ARG 11 HH12 ARG 11 -8.322 11.000 -8.433 75 HH21 ARG 11 HH21 ARG 11 -10.229 9.388 -5.991 76 HH22 ARG 11 HH22 ARG 11 -10.154 10.711 -7.106 77 H CYS 12 HN CYS 12 -3.293 5.835 -3.509 78 HA CYS 12 HA CYS 12 -3.125 5.517 -0.729 79 HB2 CYS 12 HB2 CYS 12 -1.378 5.833 -2.880 80 HB3 CYS 12 HB1 CYS 12 -1.018 7.182 -1.805 81 H SER 13 HN SER 13 -1.748 7.464 0.496 82 HA SER 13 HA SER 13 -3.734 9.499 0.977 83 HB2 SER 13 HB2 SER 13 -2.192 8.357 2.758 84 HB3 SER 13 HB1 SER 13 -0.975 9.508 2.214 85 HG SER 13 HG SER 13 -3.565 10.267 3.073 86 H ASN 14 HN ASN 14 -0.385 9.465 -0.038 87 HA ASN 14 HA ASN 14 -0.788 11.799 -1.754 88 HB2 ASN 14 HB2 ASN 14 1.375 11.529 0.356 89 HB3 ASN 14 HB1 ASN 14 1.473 12.676 -0.976 90 HD21 ASN 14 HD21 ASN 14 -0.133 11.849 1.989 91 HD22 ASN 14 HD22 ASN 14 -0.918 13.370 2.226 92 H GLY 15 HN GLY 15 1.697 12.043 -2.859 93 HA2 GLY 15 HA2 GLY 15 1.949 9.602 -4.377 94 HA3 GLY 15 HA1 GLY 15 2.903 11.067 -4.589 95 H LEU 16 HN LEU 16 2.393 8.560 -2.129 96 HA LEU 16 HA LEU 16 5.249 8.645 -1.486 97 HB2 LEU 16 HB2 LEU 16 4.344 7.333 0.616 98 HB3 LEU 16 HB1 LEU 16 4.273 9.079 0.522 99 HG LEU 16 HG LEU 16 1.834 8.513 -0.442 100 HD11 LEU 16 HD11 LEU 16 1.912 6.161 -0.342 101 HD12 LEU 16 HD12 LEU 16 0.894 6.691 0.996 102 HD13 LEU 16 HD13 LEU 16 2.553 6.182 1.301 103 HD21 LEU 16 HD21 LEU 16 2.706 9.772 1.708 104 HD22 LEU 16 HD22 LEU 16 2.070 8.331 2.502 105 HD23 LEU 16 HD23 LEU 16 1.018 9.328 1.505 106 H CYS 17 HN CYS 17 3.522 5.928 -0.314 107 HA CYS 17 HA CYS 17 4.648 4.142 -2.357 108 HB2 CYS 17 HB2 CYS 17 4.934 3.248 0.443 109 HB3 CYS 17 HB1 CYS 17 6.056 3.080 -0.901 110 H CYS 18 HN CYS 18 3.830 1.918 -2.192 111 HA CYS 18 HA CYS 18 1.339 1.572 -0.693 112 HB2 CYS 18 HB2 CYS 18 0.786 2.407 -2.995 113 HB3 CYS 18 HB1 CYS 18 1.551 0.967 -3.655 114 H SER 19 HN SER 19 1.359 -0.296 0.345 115 HA SER 19 HA SER 19 3.484 -2.153 0.151 116 HB2 SER 19 HB2 SER 19 0.858 -2.316 1.626 117 HB3 SER 19 HB1 SER 19 2.191 -3.446 1.836 118 HG SER 19 HG SER 19 2.018 -1.557 3.328 119 H GLN 20 HN GLN 20 3.395 -4.402 -0.152 120 HA GLN 20 HA GLN 20 2.801 -5.370 -2.563 121 HB2 GLN 20 HB2 GLN 20 2.943 -6.798 0.058 122 HB3 GLN 20 HB1 GLN 20 2.713 -7.679 -1.445 123 HG2 GLN 20 HG2 GLN 20 4.974 -5.752 -1.225 124 HG3 GLN 20 HG1 GLN 20 5.103 -7.330 -0.451 125 HE21 GLN 20 HE21 GLN 20 5.156 -9.184 -1.724 126 HE22 GLN 20 HE22 GLN 20 5.500 -9.126 -3.416 127 H PHE 21 HN PHE 21 0.587 -5.756 0.149 128 HA PHE 21 HA PHE 21 -1.419 -7.054 -1.460 129 HB2 PHE 21 HB2 PHE 21 -1.428 -6.024 1.375 130 HB3 PHE 21 HB1 PHE 21 -2.828 -6.783 0.627 131 HD1 PHE 21 HD1 PHE 21 -2.935 -9.117 0.284 132 HD2 PHE 21 HD2 PHE 21 0.590 -7.314 1.830 133 HE1 PHE 21 HE1 PHE 21 -2.087 -11.344 0.928 134 HE2 PHE 21 HE2 PHE 21 1.451 -9.533 2.480 135 HZ PHE 21 HZ PHE 21 0.110 -11.551 2.027 136 H GLY 22 HN GLY 22 -0.865 -3.902 -0.113 137 HA2 GLY 22 HA2 GLY 22 -1.717 -2.109 -1.713 138 HA3 GLY 22 HA1 GLY 22 -3.281 -2.860 -1.420 139 H TYR 23 HN TYR 23 -0.519 -1.879 0.600 140 HA TYR 23 HA TYR 23 -2.421 -0.402 2.298 141 HB2 TYR 23 HB2 TYR 23 -0.987 -2.514 3.177 142 HB3 TYR 23 HB1 TYR 23 0.174 -1.228 3.481 143 HD1 TYR 23 HD1 TYR 23 -1.662 0.996 4.289 144 HD2 TYR 23 HD2 TYR 23 -1.671 -3.137 5.308 145 HE1 TYR 23 HE1 TYR 23 -2.850 1.519 6.380 146 HE2 TYR 23 HE2 TYR 23 -2.859 -2.623 7.400 147 HH TYR 23 HH TYR 23 -4.307 0.383 8.006 148 H CYS 24 HN CYS 24 -2.161 1.669 2.379 149 HA CYS 24 HA CYS 24 0.001 2.974 1.026 150 HB2 CYS 24 HB2 CYS 24 -2.432 3.680 1.083 151 HB3 CYS 24 HB1 CYS 24 -2.116 4.272 2.712 152 H GLY 25 HN GLY 25 1.470 4.467 1.871 153 HA2 GLY 25 HA2 GLY 25 1.719 5.330 4.474 154 HA3 GLY 25 HA1 GLY 25 2.542 3.788 4.419 155 H SER 26 HN SER 26 3.644 6.253 5.034 156 HA SER 26 HA SER 26 5.822 6.432 3.067 157 HB2 SER 26 HB2 SER 26 5.798 8.930 3.261 158 HB3 SER 26 HB1 SER 26 4.336 8.313 2.508 159 HG SER 26 HG SER 26 3.197 8.733 4.320 160 H THR 27 HN THR 27 4.787 5.847 6.063 161 HA THR 27 HA THR 27 7.278 6.538 7.376 162 HB THR 27 HB THR 27 6.362 8.469 8.150 163 HG1 THR 27 HG1 THR 27 4.799 6.908 9.910 164 HG21 THR 27 HG21 THR 27 3.529 7.497 8.322 165 HG22 THR 27 HG22 THR 27 4.215 7.907 6.751 166 HG23 THR 27 HG23 THR 27 4.137 9.126 8.023 167 HA PRO 28 HA PRO 28 4.959 3.291 10.063 168 HB2 PRO 28 HB2 PRO 28 2.594 2.288 8.753 169 HB3 PRO 28 HB1 PRO 28 2.675 3.331 10.182 170 HG2 PRO 28 HG2 PRO 28 1.617 4.148 7.820 171 HG3 PRO 28 HG1 PRO 28 2.389 5.247 8.981 172 HD2 PRO 28 HD2 PRO 28 3.625 3.934 6.552 173 HD3 PRO 28 HD1 PRO 28 3.637 5.655 7.014 174 HA PRO 29 HA PRO 29 6.316 -0.658 8.307 175 HB2 PRO 29 HB2 PRO 29 3.870 -2.134 9.145 176 HB3 PRO 29 HB1 PRO 29 5.565 -2.424 9.579 177 HG2 PRO 29 HG2 PRO 29 3.911 -1.417 11.354 178 HG3 PRO 29 HG1 PRO 29 5.570 -0.791 11.213 179 HD2 PRO 29 HD2 PRO 29 3.026 0.378 10.146 180 HD3 PRO 29 HD1 PRO 29 4.355 1.180 11.009 181 H TYR 30 HN TYR 30 5.134 0.888 6.438 182 HA TYR 30 HA TYR 30 4.098 -1.043 4.486 183 HB2 TYR 30 HB2 TYR 30 3.009 1.758 4.473 184 HB3 TYR 30 HB1 TYR 30 2.335 0.318 3.737 185 HD1 TYR 30 HD1 TYR 30 1.777 -1.556 5.655 186 HD2 TYR 30 HD2 TYR 30 1.750 2.661 6.182 187 HE1 TYR 30 HE1 TYR 30 0.253 -1.821 7.568 188 HE2 TYR 30 HE2 TYR 30 0.224 2.407 8.103 189 HH TYR 30 HH TYR 30 -0.392 -0.575 9.588 190 H CYS 31 HN CYS 31 5.724 1.871 5.378 191 HA CYS 31 HA CYS 31 7.433 1.751 3.081 192 HB2 CYS 31 HB2 CYS 31 5.500 3.283 2.439 193 HB3 CYS 31 HB1 CYS 31 6.125 4.392 3.652 194 H GLY 32 HN GLY 32 8.977 1.219 4.499 195 HA2 GLY 32 HA2 GLY 32 10.771 2.979 5.469 196 HA3 GLY 32 HA1 GLY 32 9.620 2.849 6.797 197 H ALA 33 HN ALA 33 8.883 0.374 6.937 198 HA ALA 33 HA ALA 33 10.826 -1.645 6.537 199 HB1 ALA 33 HB1 ALA 33 11.419 -2.121 8.872 200 HB2 ALA 33 HB2 ALA 33 10.525 -0.697 9.404 201 HB3 ALA 33 HB3 ALA 33 11.970 -0.510 8.410 202 H GLY 34 HN GLY 34 9.241 -2.872 5.754 203 HA2 GLY 34 HA2 GLY 34 7.632 -4.397 7.477 204 HA3 GLY 34 HA1 GLY 34 6.640 -3.131 6.766 205 H GLN 35 HN GLN 35 6.257 -3.110 4.557 206 HA GLN 35 HA GLN 35 7.221 -5.296 2.908 207 HB2 GLN 35 HB2 GLN 35 4.754 -5.740 2.187 208 HB3 GLN 35 HB1 GLN 35 5.362 -6.492 3.652 209 HG2 GLN 35 HG2 GLN 35 4.279 -4.711 4.978 210 HG3 GLN 35 HG1 GLN 35 3.620 -4.038 3.491 211 HE21 GLN 35 HE21 GLN 35 1.958 -5.113 2.434 212 HE22 GLN 35 HE22 GLN 35 1.044 -6.367 3.192 213 H CYS 36 HN CYS 36 8.136 -2.997 2.391 214 HA CYS 36 HA CYS 36 6.516 -1.222 0.847 215 HB2 CYS 36 HB2 CYS 36 9.525 -1.458 0.842 216 HB3 CYS 36 HB1 CYS 36 8.577 -0.067 0.335 217 H GLN 37 HN GLN 37 5.773 -1.511 -1.157 218 HA GLN 37 HA GLN 37 7.170 -3.317 -2.989 219 HB2 GLN 37 HB2 GLN 37 4.664 -3.515 -2.456 220 HB3 GLN 37 HB1 GLN 37 4.461 -2.066 -3.427 221 HG2 GLN 37 HG2 GLN 37 5.569 -3.288 -5.313 222 HG3 GLN 37 HG1 GLN 37 5.484 -4.746 -4.325 223 HE21 GLN 37 HE21 GLN 37 3.555 -5.788 -4.078 224 HE22 GLN 37 HE22 GLN 37 2.121 -5.360 -4.942 225 H SER 38 HN SER 38 5.724 -0.054 -2.907 226 HA SER 38 HA SER 38 6.945 0.664 -5.433 227 HB2 SER 38 HB2 SER 38 5.141 2.189 -3.551 228 HB3 SER 38 HB1 SER 38 5.768 2.858 -5.058 229 HG SER 38 HG SER 38 4.753 1.010 -6.102 230 H GLN 39 HN GLN 39 7.050 1.867 -2.121 231 HA GLN 39 HA GLN 39 9.846 2.623 -2.424 232 HB2 GLN 39 HB2 GLN 39 7.610 4.570 -1.935 233 HB3 GLN 39 HB1 GLN 39 9.208 4.881 -1.271 234 HG2 GLN 39 HG2 GLN 39 10.144 4.724 -3.552 235 HG3 GLN 39 HG1 GLN 39 8.509 4.523 -4.176 236 HE21 GLN 39 HE21 GLN 39 7.104 6.271 -4.178 237 HE22 GLN 39 HE22 GLN 39 7.650 7.894 -3.955 238 H CYS 40 HN CYS 40 10.891 3.117 -0.367 239 HA CYS 40 HA CYS 40 9.417 2.189 1.999 240 HB2 CYS 40 HB2 CYS 40 11.243 0.591 0.769 241 HB3 CYS 40 HB1 CYS 40 12.272 1.444 1.915 Start of MODEL 3 1 H1 PHE 1 HT1 PHE 1 -6.206 -2.064 1.566 2 H2 PHE 1 HT2 PHE 1 -6.957 -2.223 0.059 3 H3 PHE 1 HT3 PHE 1 -7.207 -3.390 1.258 4 HA PHE 1 HA PHE 1 -9.107 -1.954 1.060 5 HB2 PHE 1 HB2 PHE 1 -9.241 -1.232 3.462 6 HB3 PHE 1 HB1 PHE 1 -8.695 -2.890 3.261 7 HD1 PHE 1 HD1 PHE 1 -6.186 -3.354 3.460 8 HD2 PHE 1 HD2 PHE 1 -7.988 0.310 4.665 9 HE1 PHE 1 HE1 PHE 1 -4.237 -2.862 4.877 10 HE2 PHE 1 HE2 PHE 1 -6.039 0.809 6.077 11 HZ PHE 1 HZ PHE 1 -4.162 -0.778 6.183 12 H GLN 2 HN GLN 2 -6.111 -0.241 1.580 13 HA GLN 2 HA GLN 2 -7.438 2.337 1.193 14 HB2 GLN 2 HB2 GLN 2 -4.711 1.573 2.189 15 HB3 GLN 2 HB1 GLN 2 -5.055 3.216 1.668 16 HG2 GLN 2 HG2 GLN 2 -6.893 3.300 3.331 17 HG3 GLN 2 HG1 GLN 2 -6.390 1.711 3.901 18 HE21 GLN 2 HE21 GLN 2 -4.452 1.497 5.020 19 HE22 GLN 2 HE22 GLN 2 -3.631 2.855 5.702 20 H CYS 3 HN CYS 3 -4.845 0.382 -0.152 21 HA CYS 3 HA CYS 3 -5.314 1.299 -2.829 22 HB2 CYS 3 HB2 CYS 3 -3.965 3.146 -2.562 23 HB3 CYS 3 HB1 CYS 3 -3.053 2.422 -1.248 24 H GLY 4 HN GLY 4 -4.689 -0.209 -4.279 25 HA2 GLY 4 HA2 GLY 4 -2.850 -1.812 -4.874 26 HA3 GLY 4 HA1 GLY 4 -3.026 -2.427 -3.240 27 H ARG 5 HN ARG 5 -3.552 -4.488 -3.732 28 HA ARG 5 HA ARG 5 -5.828 -4.981 -5.498 29 HB2 ARG 5 HB2 ARG 5 -5.089 -7.413 -5.296 30 HB3 ARG 5 HB1 ARG 5 -4.013 -6.325 -6.155 31 HG2 ARG 5 HG2 ARG 5 -2.788 -6.111 -3.895 32 HG3 ARG 5 HG1 ARG 5 -3.669 -7.583 -3.466 33 HD2 ARG 5 HD2 ARG 5 -2.806 -8.640 -5.515 34 HD3 ARG 5 HD1 ARG 5 -1.855 -7.189 -5.827 35 HE ARG 5 HE ARG 5 -1.236 -8.103 -3.256 36 HH11 ARG 5 HH11 ARG 5 -0.783 -9.151 -6.578 37 HH12 ARG 5 HH12 ARG 5 0.666 -10.032 -6.223 38 HH21 ARG 5 HH21 ARG 5 1.482 -10.094 -4.094 39 HH22 ARG 5 HH22 ARG 5 0.661 -9.262 -2.815 40 H GLN 6 HN GLN 6 -5.139 -4.853 -2.151 41 HA GLN 6 HA GLN 6 -6.983 -6.826 -1.223 42 HB2 GLN 6 HB2 GLN 6 -5.413 -4.640 0.001 43 HB3 GLN 6 HB1 GLN 6 -6.871 -5.121 0.859 44 HG2 GLN 6 HG2 GLN 6 -4.824 -7.137 -0.025 45 HG3 GLN 6 HG1 GLN 6 -4.680 -6.270 1.502 46 HE21 GLN 6 HE21 GLN 6 -6.155 -6.684 3.151 47 HE22 GLN 6 HE22 GLN 6 -7.159 -8.089 3.155 48 H ALA 7 HN ALA 7 -7.299 -3.722 -2.540 49 HA ALA 7 HA ALA 7 -10.065 -3.404 -1.609 50 HB1 ALA 7 HB1 ALA 7 -8.451 -1.566 -1.114 51 HB2 ALA 7 HB2 ALA 7 -9.848 -1.066 -2.066 52 HB3 ALA 7 HB3 ALA 7 -8.289 -1.318 -2.852 53 H GLY 8 HN GLY 8 -7.968 -3.607 -4.382 54 HA2 GLY 8 HA2 GLY 8 -8.780 -4.663 -6.409 55 HA3 GLY 8 HA1 GLY 8 -10.325 -3.875 -6.137 56 H GLY 9 HN GLY 9 -9.315 -1.293 -5.517 57 HA2 GLY 9 HA2 GLY 9 -7.553 -0.234 -7.422 58 HA3 GLY 9 HA1 GLY 9 -9.173 -0.158 -8.094 59 H ALA 10 HN ALA 10 -7.092 0.937 -5.480 60 HA ALA 10 HA ALA 10 -8.846 3.273 -5.121 61 HB1 ALA 10 HB1 ALA 10 -8.344 3.203 -2.681 62 HB2 ALA 10 HB2 ALA 10 -7.575 1.635 -2.928 63 HB3 ALA 10 HB3 ALA 10 -9.295 1.832 -3.252 64 H ARG 11 HN ARG 11 -7.149 4.527 -3.132 65 HA ARG 11 HA ARG 11 -4.583 4.842 -4.504 66 HB2 ARG 11 HB2 ARG 11 -4.816 7.376 -4.348 67 HB3 ARG 11 HB1 ARG 11 -5.837 6.601 -5.547 68 HG2 ARG 11 HG2 ARG 11 -7.751 6.775 -4.018 69 HG3 ARG 11 HG1 ARG 11 -6.719 7.567 -2.828 70 HD2 ARG 11 HD2 ARG 11 -7.866 9.304 -3.934 71 HD3 ARG 11 HD1 ARG 11 -6.237 9.306 -4.607 72 HE ARG 11 HE ARG 11 -7.834 7.696 -6.235 73 HH11 ARG 11 HH11 ARG 11 -7.594 11.093 -5.375 74 HH12 ARG 11 HH12 ARG 11 -8.244 11.639 -6.885 75 HH21 ARG 11 HH21 ARG 11 -8.682 8.434 -8.203 76 HH22 ARG 11 HH22 ARG 11 -8.860 10.133 -8.484 77 H CYS 12 HN CYS 12 -3.030 6.226 -3.255 78 HA CYS 12 HA CYS 12 -3.034 5.347 -0.505 79 HB2 CYS 12 HB2 CYS 12 -0.998 6.526 -2.357 80 HB3 CYS 12 HB1 CYS 12 -0.686 6.490 -0.625 81 H SER 13 HN SER 13 -1.504 7.205 0.823 82 HA SER 13 HA SER 13 -3.460 9.186 1.532 83 HB2 SER 13 HB2 SER 13 -0.764 8.405 2.640 84 HB3 SER 13 HB1 SER 13 -1.589 9.852 3.219 85 HG SER 13 HG SER 13 -1.957 7.688 4.299 86 H ASN 14 HN ASN 14 -0.097 9.364 0.495 87 HA ASN 14 HA ASN 14 -0.630 11.842 -0.975 88 HB2 ASN 14 HB2 ASN 14 1.521 11.492 1.131 89 HB3 ASN 14 HB1 ASN 14 1.558 12.778 -0.070 90 HD21 ASN 14 HD21 ASN 14 0.048 14.441 0.042 91 HD22 ASN 14 HD22 ASN 14 -0.872 14.748 1.471 92 H GLY 15 HN GLY 15 1.966 12.368 -1.844 93 HA2 GLY 15 HA2 GLY 15 2.341 10.279 -3.790 94 HA3 GLY 15 HA1 GLY 15 3.286 11.757 -3.647 95 H LEU 16 HN LEU 16 2.658 8.867 -1.716 96 HA LEU 16 HA LEU 16 5.513 8.683 -1.044 97 HB2 LEU 16 HB2 LEU 16 4.395 7.191 0.884 98 HB3 LEU 16 HB1 LEU 16 4.601 8.920 1.023 99 HG LEU 16 HG LEU 16 2.146 8.909 -0.031 100 HD11 LEU 16 HD11 LEU 16 2.330 6.294 1.433 101 HD12 LEU 16 HD12 LEU 16 1.929 6.539 -0.267 102 HD13 LEU 16 HD13 LEU 16 0.828 7.103 0.990 103 HD21 LEU 16 HD21 LEU 16 2.587 8.356 2.885 104 HD22 LEU 16 HD22 LEU 16 1.288 9.284 2.142 105 HD23 LEU 16 HD23 LEU 16 2.935 9.907 2.120 106 H CYS 17 HN CYS 17 3.803 5.933 -0.061 107 HA CYS 17 HA CYS 17 4.328 4.449 -2.530 108 HB2 CYS 17 HB2 CYS 17 5.588 2.713 -1.346 109 HB3 CYS 17 HB1 CYS 17 6.369 4.269 -1.092 110 H CYS 18 HN CYS 18 3.641 2.006 -2.064 111 HA CYS 18 HA CYS 18 1.178 1.919 -0.477 112 HB2 CYS 18 HB2 CYS 18 0.660 2.537 -2.871 113 HB3 CYS 18 HB1 CYS 18 1.309 0.973 -3.347 114 H SER 19 HN SER 19 0.978 0.094 0.630 115 HA SER 19 HA SER 19 2.952 -1.998 0.347 116 HB2 SER 19 HB2 SER 19 0.732 -1.572 2.338 117 HB3 SER 19 HB1 SER 19 1.874 -2.910 2.411 118 HG SER 19 HG SER 19 2.757 -1.367 3.674 119 H GLN 20 HN GLN 20 2.493 -4.196 0.209 120 HA GLN 20 HA GLN 20 0.917 -4.965 -1.927 121 HB2 GLN 20 HB2 GLN 20 2.178 -6.603 0.255 122 HB3 GLN 20 HB1 GLN 20 1.416 -7.311 -1.160 123 HG2 GLN 20 HG2 GLN 20 3.021 -6.000 -2.564 124 HG3 GLN 20 HG1 GLN 20 3.851 -5.552 -1.073 125 HE21 GLN 20 HE21 GLN 20 4.976 -7.117 0.081 126 HE22 GLN 20 HE22 GLN 20 5.416 -8.634 -0.618 127 H PHE 21 HN PHE 21 -0.278 -4.491 1.258 128 HA PHE 21 HA PHE 21 -2.566 -6.208 0.572 129 HB2 PHE 21 HB2 PHE 21 -0.934 -6.192 2.964 130 HB3 PHE 21 HB1 PHE 21 -2.650 -6.032 3.330 131 HD1 PHE 21 HD1 PHE 21 -4.112 -7.855 3.135 132 HD2 PHE 21 HD2 PHE 21 -0.170 -8.129 1.556 133 HE1 PHE 21 HE1 PHE 21 -4.415 -10.276 2.809 134 HE2 PHE 21 HE2 PHE 21 -0.465 -10.552 1.227 135 HZ PHE 21 HZ PHE 21 -2.591 -11.627 1.852 136 H GLY 22 HN GLY 22 -2.258 -3.314 0.076 137 HA2 GLY 22 HA2 GLY 22 -3.992 -1.762 -0.191 138 HA3 GLY 22 HA1 GLY 22 -4.907 -2.611 1.039 139 H TYR 23 HN TYR 23 -1.611 -1.583 1.465 140 HA TYR 23 HA TYR 23 -2.548 0.468 3.356 141 HB2 TYR 23 HB2 TYR 23 -0.779 -1.769 3.765 142 HB3 TYR 23 HB1 TYR 23 0.080 -0.265 4.073 143 HD1 TYR 23 HD1 TYR 23 -1.706 1.475 5.399 144 HD2 TYR 23 HD2 TYR 23 -1.472 -2.765 5.681 145 HE1 TYR 23 HE1 TYR 23 -2.740 1.573 7.637 146 HE2 TYR 23 HE2 TYR 23 -2.507 -2.682 7.915 147 HH TYR 23 HH TYR 23 -2.787 -1.079 9.756 148 H CYS 24 HN CYS 24 -1.107 2.261 3.713 149 HA CYS 24 HA CYS 24 0.919 2.804 1.700 150 HB2 CYS 24 HB2 CYS 24 -1.487 4.599 2.071 151 HB3 CYS 24 HB1 CYS 24 -0.073 4.973 1.090 152 H GLY 25 HN GLY 25 2.245 4.636 2.242 153 HA2 GLY 25 HA2 GLY 25 1.870 6.216 4.518 154 HA3 GLY 25 HA1 GLY 25 2.782 4.797 4.999 155 H SER 26 HN SER 26 4.099 6.739 5.552 156 HA SER 26 HA SER 26 6.302 6.964 3.669 157 HB2 SER 26 HB2 SER 26 4.746 8.910 3.160 158 HB3 SER 26 HB1 SER 26 5.056 9.492 4.790 159 HG SER 26 HG SER 26 7.242 8.892 3.154 160 H THR 27 HN THR 27 5.239 6.159 6.503 161 HA THR 27 HA THR 27 7.614 6.935 7.981 162 HB THR 27 HB THR 27 6.533 8.647 8.985 163 HG1 THR 27 HG1 THR 27 4.830 7.024 10.454 164 HG21 THR 27 HG21 THR 27 4.494 8.100 7.360 165 HG22 THR 27 HG22 THR 27 4.334 9.244 8.691 166 HG23 THR 27 HG23 THR 27 3.742 7.594 8.875 167 HA PRO 28 HA PRO 28 5.659 3.186 10.235 168 HB2 PRO 28 HB2 PRO 28 3.201 2.291 9.040 169 HB3 PRO 28 HB1 PRO 28 3.390 3.195 10.553 170 HG2 PRO 28 HG2 PRO 28 2.127 4.209 8.366 171 HG3 PRO 28 HG1 PRO 28 2.968 5.210 9.565 172 HD2 PRO 28 HD2 PRO 28 4.053 4.146 6.946 173 HD3 PRO 28 HD1 PRO 28 4.047 5.827 7.542 174 HA PRO 29 HA PRO 29 6.915 -0.529 7.918 175 HB2 PRO 29 HB2 PRO 29 5.013 -2.460 8.514 176 HB3 PRO 29 HB1 PRO 29 6.378 -2.032 9.562 177 HG2 PRO 29 HG2 PRO 29 3.547 -1.103 9.688 178 HG3 PRO 29 HG1 PRO 29 4.626 -1.622 11.002 179 HD2 PRO 29 HD2 PRO 29 4.210 0.949 10.591 180 HD3 PRO 29 HD1 PRO 29 5.842 0.360 10.961 181 H TYR 30 HN TYR 30 5.635 1.229 6.331 182 HA TYR 30 HA TYR 30 4.340 -0.452 4.306 183 HB2 TYR 30 HB2 TYR 30 3.363 2.368 4.757 184 HB3 TYR 30 HB1 TYR 30 2.594 1.075 3.853 185 HD1 TYR 30 HD1 TYR 30 2.274 -1.113 5.642 186 HD2 TYR 30 HD2 TYR 30 2.070 3.040 6.528 187 HE1 TYR 30 HE1 TYR 30 0.867 -1.611 7.594 188 HE2 TYR 30 HE2 TYR 30 0.663 2.549 8.491 189 HH TYR 30 HH TYR 30 0.283 -0.569 9.748 190 H CYS 31 HN CYS 31 6.143 2.355 5.314 191 HA CYS 31 HA CYS 31 7.372 2.548 2.682 192 HB2 CYS 31 HB2 CYS 31 5.802 4.565 3.887 193 HB3 CYS 31 HB1 CYS 31 7.480 5.105 3.870 194 H GLY 32 HN GLY 32 7.729 2.349 6.006 195 HA2 GLY 32 HA2 GLY 32 10.605 2.825 5.669 196 HA3 GLY 32 HA1 GLY 32 9.737 3.268 7.133 197 H ALA 33 HN ALA 33 10.533 0.515 5.065 198 HA ALA 33 HA ALA 33 11.018 -1.662 5.436 199 HB1 ALA 33 HB1 ALA 33 12.087 -2.336 7.512 200 HB2 ALA 33 HB2 ALA 33 11.564 -0.844 8.293 201 HB3 ALA 33 HB3 ALA 33 12.731 -0.785 6.972 202 H GLY 34 HN GLY 34 9.173 -2.705 5.058 203 HA2 GLY 34 HA2 GLY 34 7.814 -4.001 7.155 204 HA3 GLY 34 HA1 GLY 34 6.848 -2.637 6.616 205 H GLN 35 HN GLN 35 5.731 -2.756 4.726 206 HA GLN 35 HA GLN 35 6.038 -5.186 3.090 207 HB2 GLN 35 HB2 GLN 35 3.331 -4.065 3.839 208 HB3 GLN 35 HB1 GLN 35 3.679 -5.593 3.048 209 HG2 GLN 35 HG2 GLN 35 4.838 -6.281 5.195 210 HG3 GLN 35 HG1 GLN 35 4.118 -4.846 5.925 211 HE21 GLN 35 HE21 GLN 35 3.511 -7.992 4.577 212 HE22 GLN 35 HE22 GLN 35 1.888 -8.148 5.146 213 H CYS 36 HN CYS 36 7.088 -2.663 2.456 214 HA CYS 36 HA CYS 36 5.370 -1.099 0.814 215 HB2 CYS 36 HB2 CYS 36 7.597 -0.140 -0.012 216 HB3 CYS 36 HB1 CYS 36 7.226 0.028 1.701 217 H GLN 37 HN GLN 37 4.578 -1.566 -1.110 218 HA GLN 37 HA GLN 37 5.909 -3.510 -2.839 219 HB2 GLN 37 HB2 GLN 37 3.435 -3.653 -2.223 220 HB3 GLN 37 HB1 GLN 37 3.195 -2.249 -3.248 221 HG2 GLN 37 HG2 GLN 37 4.066 -3.505 -5.161 222 HG3 GLN 37 HG1 GLN 37 4.271 -4.918 -4.130 223 HE21 GLN 37 HE21 GLN 37 1.996 -2.836 -5.732 224 HE22 GLN 37 HE22 GLN 37 0.623 -3.871 -5.576 225 H SER 38 HN SER 38 4.660 -0.177 -2.903 226 HA SER 38 HA SER 38 5.471 0.332 -5.596 227 HB2 SER 38 HB2 SER 38 4.613 2.263 -3.437 228 HB3 SER 38 HB1 SER 38 4.786 2.657 -5.146 229 HG SER 38 HG SER 38 3.232 0.752 -5.361 230 H GLN 39 HN GLN 39 6.566 1.784 -2.560 231 HA GLN 39 HA GLN 39 9.324 1.792 -3.518 232 HB2 GLN 39 HB2 GLN 39 7.734 4.256 -2.866 233 HB3 GLN 39 HB1 GLN 39 9.475 4.232 -2.620 234 HG2 GLN 39 HG2 GLN 39 9.799 3.695 -4.980 235 HG3 GLN 39 HG1 GLN 39 8.053 3.716 -5.223 236 HE21 GLN 39 HE21 GLN 39 10.894 5.628 -4.641 237 HE22 GLN 39 HE22 GLN 39 10.187 7.160 -5.010 238 H CYS 40 HN CYS 40 10.887 1.953 -1.887 239 HA CYS 40 HA CYS 40 9.875 1.676 0.864 240 HB2 CYS 40 HB2 CYS 40 12.219 0.186 -0.336 241 HB3 CYS 40 HB1 CYS 40 11.602 0.014 1.304 Start of MODEL 4 1 H1 PHE 1 HT1 PHE 1 -7.555 -1.204 5.249 2 H2 PHE 1 HT2 PHE 1 -6.422 0.034 5.462 3 H3 PHE 1 HT3 PHE 1 -5.962 -1.578 5.682 4 HA PHE 1 HA PHE 1 -5.153 -0.730 3.581 5 HB2 PHE 1 HB2 PHE 1 -7.298 -2.850 3.503 6 HB3 PHE 1 HB1 PHE 1 -6.295 -2.473 2.106 7 HD1 PHE 1 HD1 PHE 1 -3.992 -3.118 2.020 8 HD2 PHE 1 HD2 PHE 1 -6.331 -3.880 5.491 9 HE1 PHE 1 HE1 PHE 1 -2.258 -4.652 2.849 10 HE2 PHE 1 HE2 PHE 1 -4.599 -5.415 6.329 11 HZ PHE 1 HZ PHE 1 -2.559 -5.805 5.004 12 H GLN 2 HN GLN 2 -5.431 0.464 1.797 13 HA GLN 2 HA GLN 2 -8.123 1.296 0.992 14 HB2 GLN 2 HB2 GLN 2 -5.861 3.216 1.575 15 HB3 GLN 2 HB1 GLN 2 -7.368 3.661 0.791 16 HG2 GLN 2 HG2 GLN 2 -8.570 2.928 2.848 17 HG3 GLN 2 HG1 GLN 2 -6.999 2.693 3.614 18 HE21 GLN 2 HE21 GLN 2 -5.740 4.482 4.123 19 HE22 GLN 2 HE22 GLN 2 -6.391 6.081 4.177 20 H CYS 3 HN CYS 3 -4.735 1.029 0.299 21 HA CYS 3 HA CYS 3 -5.078 1.680 -2.528 22 HB2 CYS 3 HB2 CYS 3 -3.252 2.766 -1.390 23 HB3 CYS 3 HB1 CYS 3 -2.646 1.231 -0.786 24 H GLY 4 HN GLY 4 -3.641 0.317 -4.034 25 HA2 GLY 4 HA2 GLY 4 -3.171 -1.631 -5.119 26 HA3 GLY 4 HA1 GLY 4 -2.972 -2.358 -3.544 27 H ARG 5 HN ARG 5 -3.740 -4.238 -4.671 28 HA ARG 5 HA ARG 5 -6.465 -4.382 -5.552 29 HB2 ARG 5 HB2 ARG 5 -5.983 -6.834 -5.791 30 HB3 ARG 5 HB1 ARG 5 -4.886 -5.786 -6.675 31 HG2 ARG 5 HG2 ARG 5 -3.394 -6.023 -4.555 32 HG3 ARG 5 HG1 ARG 5 -4.374 -7.465 -4.270 33 HD2 ARG 5 HD2 ARG 5 -3.854 -8.205 -6.567 34 HD3 ARG 5 HD1 ARG 5 -2.781 -6.817 -6.735 35 HE ARG 5 HE ARG 5 -1.982 -8.204 -4.460 36 HH11 ARG 5 HH11 ARG 5 -2.103 -8.803 -7.919 37 HH12 ARG 5 HH12 ARG 5 -0.760 -9.896 -7.892 38 HH21 ARG 5 HH21 ARG 5 0.302 -10.366 -5.930 39 HH22 ARG 5 HH22 ARG 5 -0.225 -9.636 -4.450 40 H GLN 6 HN GLN 6 -5.013 -4.528 -2.482 41 HA GLN 6 HA GLN 6 -6.605 -6.461 -1.157 42 HB2 GLN 6 HB2 GLN 6 -4.554 -4.719 -0.432 43 HB3 GLN 6 HB1 GLN 6 -5.932 -4.171 0.511 44 HG2 GLN 6 HG2 GLN 6 -4.868 -7.000 0.466 45 HG3 GLN 6 HG1 GLN 6 -4.546 -5.810 1.725 46 HE21 GLN 6 HE21 GLN 6 -6.191 -5.261 3.165 47 HE22 GLN 6 HE22 GLN 6 -7.612 -6.226 3.351 48 H ALA 7 HN ALA 7 -7.216 -3.369 -2.394 49 HA ALA 7 HA ALA 7 -9.869 -3.211 -1.151 50 HB1 ALA 7 HB1 ALA 7 -8.371 -1.557 -0.165 51 HB2 ALA 7 HB2 ALA 7 -9.631 -0.779 -1.123 52 HB3 ALA 7 HB3 ALA 7 -7.999 -0.938 -1.773 53 H GLY 8 HN GLY 8 -7.809 -2.463 -3.882 54 HA2 GLY 8 HA2 GLY 8 -9.216 -3.197 -6.006 55 HA3 GLY 8 HA1 GLY 8 -10.057 -1.712 -5.584 56 H GLY 9 HN GLY 9 -8.583 0.223 -5.284 57 HA2 GLY 9 HA2 GLY 9 -6.035 0.396 -6.440 58 HA3 GLY 9 HA1 GLY 9 -7.216 0.756 -7.689 59 H ALA 10 HN ALA 10 -5.925 1.784 -4.566 60 HA ALA 10 HA ALA 10 -6.665 4.545 -5.190 61 HB1 ALA 10 HB1 ALA 10 -7.618 4.948 -2.979 62 HB2 ALA 10 HB2 ALA 10 -7.377 3.254 -2.552 63 HB3 ALA 10 HB3 ALA 10 -8.518 3.688 -3.824 64 H ARG 11 HN ARG 11 -5.818 5.932 -3.094 65 HA ARG 11 HA ARG 11 -3.183 4.970 -2.253 66 HB2 ARG 11 HB2 ARG 11 -2.187 7.247 -2.797 67 HB3 ARG 11 HB1 ARG 11 -2.562 6.251 -4.191 68 HG2 ARG 11 HG2 ARG 11 -4.581 8.253 -3.286 69 HG3 ARG 11 HG1 ARG 11 -3.146 8.814 -4.144 70 HD2 ARG 11 HD2 ARG 11 -4.939 6.633 -5.191 71 HD3 ARG 11 HD1 ARG 11 -5.183 8.337 -5.566 72 HE ARG 11 HE ARG 11 -2.539 7.710 -6.182 73 HH11 ARG 11 HH11 ARG 11 -5.740 6.841 -7.338 74 HH12 ARG 11 HH12 ARG 11 -5.197 6.529 -8.953 75 HH21 ARG 11 HH21 ARG 11 -1.852 7.296 -8.302 76 HH22 ARG 11 HH22 ARG 11 -2.997 6.787 -9.497 77 H CYS 12 HN CYS 12 -2.280 6.182 -0.406 78 HA CYS 12 HA CYS 12 -4.419 6.977 1.382 79 HB2 CYS 12 HB2 CYS 12 -1.506 6.459 1.825 80 HB3 CYS 12 HB1 CYS 12 -2.510 7.174 3.076 81 H SER 13 HN SER 13 -1.247 8.551 1.198 82 HA SER 13 HA SER 13 -2.525 11.088 1.753 83 HB2 SER 13 HB2 SER 13 -0.515 10.400 3.049 84 HB3 SER 13 HB1 SER 13 0.436 10.462 1.566 85 HG SER 13 HG SER 13 -0.897 12.761 1.833 86 H ASN 14 HN ASN 14 0.393 11.323 -0.071 87 HA ASN 14 HA ASN 14 -1.063 11.869 -2.552 88 HB2 ASN 14 HB2 ASN 14 -0.712 13.965 -1.070 89 HB3 ASN 14 HB1 ASN 14 0.973 13.848 -1.564 90 HD21 ASN 14 HD21 ASN 14 -2.281 14.495 -2.588 91 HD22 ASN 14 HD22 ASN 14 -1.881 15.189 -4.119 92 H GLY 15 HN GLY 15 -0.115 10.013 -3.404 93 HA2 GLY 15 HA2 GLY 15 1.429 8.795 -4.585 94 HA3 GLY 15 HA1 GLY 15 2.225 10.327 -4.890 95 H LEU 16 HN LEU 16 1.783 8.308 -1.976 96 HA LEU 16 HA LEU 16 4.584 8.724 -1.294 97 HB2 LEU 16 HB2 LEU 16 3.716 7.209 0.756 98 HB3 LEU 16 HB1 LEU 16 3.536 8.947 0.706 99 HG LEU 16 HG LEU 16 1.200 8.686 -0.009 100 HD11 LEU 16 HD11 LEU 16 0.071 6.679 -0.250 101 HD12 LEU 16 HD12 LEU 16 1.360 5.753 0.518 102 HD13 LEU 16 HD13 LEU 16 1.590 6.409 -1.104 103 HD21 LEU 16 HD21 LEU 16 1.859 7.092 2.447 104 HD22 LEU 16 HD22 LEU 16 0.321 7.879 2.093 105 HD23 LEU 16 HD23 LEU 16 1.767 8.850 2.359 106 H CYS 17 HN CYS 17 3.159 5.813 -0.202 107 HA CYS 17 HA CYS 17 4.523 4.132 -2.174 108 HB2 CYS 17 HB2 CYS 17 4.950 3.232 0.595 109 HB3 CYS 17 HB1 CYS 17 6.076 3.255 -0.753 110 H CYS 18 HN CYS 18 3.783 1.882 -2.076 111 HA CYS 18 HA CYS 18 1.389 1.430 -0.468 112 HB2 CYS 18 HB2 CYS 18 0.626 2.365 -2.607 113 HB3 CYS 18 HB1 CYS 18 1.448 1.068 -3.464 114 H SER 19 HN SER 19 1.337 -0.462 0.440 115 HA SER 19 HA SER 19 3.445 -2.329 0.198 116 HB2 SER 19 HB2 SER 19 0.792 -2.501 1.627 117 HB3 SER 19 HB1 SER 19 2.081 -3.689 1.793 118 HG SER 19 HG SER 19 3.424 -1.985 2.557 119 H GLN 20 HN GLN 20 3.361 -4.543 -0.271 120 HA GLN 20 HA GLN 20 2.666 -5.305 -2.760 121 HB2 GLN 20 HB2 GLN 20 4.006 -6.473 -0.782 122 HB3 GLN 20 HB1 GLN 20 2.543 -7.443 -0.723 123 HG2 GLN 20 HG2 GLN 20 2.834 -7.999 -3.099 124 HG3 GLN 20 HG1 GLN 20 4.328 -7.061 -3.119 125 HE21 GLN 20 HE21 GLN 20 6.141 -7.850 -2.051 126 HE22 GLN 20 HE22 GLN 20 6.274 -9.500 -1.560 127 H PHE 21 HN PHE 21 0.604 -5.656 0.034 128 HA PHE 21 HA PHE 21 -1.445 -7.079 -1.424 129 HB2 PHE 21 HB2 PHE 21 -1.219 -6.034 1.382 130 HB3 PHE 21 HB1 PHE 21 -2.728 -6.685 0.764 131 HD1 PHE 21 HD1 PHE 21 0.669 -7.430 1.786 132 HD2 PHE 21 HD2 PHE 21 -2.975 -9.014 0.284 133 HE1 PHE 21 HE1 PHE 21 1.439 -9.709 2.354 134 HE2 PHE 21 HE2 PHE 21 -2.224 -11.301 0.846 135 HZ PHE 21 HZ PHE 21 -0.014 -11.647 1.883 136 H GLY 22 HN GLY 22 -0.911 -3.898 -0.123 137 HA2 GLY 22 HA2 GLY 22 -1.862 -2.153 -1.728 138 HA3 GLY 22 HA1 GLY 22 -3.396 -2.924 -1.343 139 H TYR 23 HN TYR 23 -0.575 -1.986 0.591 140 HA TYR 23 HA TYR 23 -2.387 -0.351 2.241 141 HB2 TYR 23 HB2 TYR 23 -1.068 -2.531 3.172 142 HB3 TYR 23 HB1 TYR 23 0.137 -1.288 3.485 143 HD1 TYR 23 HD1 TYR 23 -2.106 -3.089 5.153 144 HD2 TYR 23 HD2 TYR 23 -1.363 1.023 4.340 145 HE1 TYR 23 HE1 TYR 23 -3.323 -2.468 7.200 146 HE2 TYR 23 HE2 TYR 23 -2.580 1.654 6.384 147 HH TYR 23 HH TYR 23 -4.296 0.714 7.872 148 H CYS 24 HN CYS 24 -2.101 1.639 1.566 149 HA CYS 24 HA CYS 24 0.440 2.616 0.648 150 HB2 CYS 24 HB2 CYS 24 -0.950 4.833 0.576 151 HB3 CYS 24 HB1 CYS 24 -1.287 3.555 -0.578 152 H GLY 25 HN GLY 25 1.913 3.721 1.653 153 HA2 GLY 25 HA2 GLY 25 1.358 5.235 4.054 154 HA3 GLY 25 HA1 GLY 25 2.359 3.811 4.301 155 H SER 26 HN SER 26 3.525 5.980 5.028 156 HA SER 26 HA SER 26 5.643 6.430 3.068 157 HB2 SER 26 HB2 SER 26 3.891 8.259 2.780 158 HB3 SER 26 HB1 SER 26 4.321 8.804 4.396 159 HG SER 26 HG SER 26 6.428 8.403 2.641 160 H THR 27 HN THR 27 4.665 5.720 6.109 161 HA THR 27 HA THR 27 7.246 6.266 7.285 162 HB THR 27 HB THR 27 6.444 8.306 7.993 163 HG1 THR 27 HG1 THR 27 5.264 7.127 10.192 164 HG21 THR 27 HG21 THR 27 3.721 7.235 8.715 165 HG22 THR 27 HG22 THR 27 4.098 7.855 7.108 166 HG23 THR 27 HG23 THR 27 4.222 8.914 8.513 167 HA PRO 28 HA PRO 28 4.862 3.130 10.066 168 HB2 PRO 28 HB2 PRO 28 2.532 2.117 8.685 169 HB3 PRO 28 HB1 PRO 28 2.580 3.089 10.165 170 HG2 PRO 28 HG2 PRO 28 1.525 3.994 7.841 171 HG3 PRO 28 HG1 PRO 28 2.268 5.053 9.058 172 HD2 PRO 28 HD2 PRO 28 3.515 3.920 6.553 173 HD3 PRO 28 HD1 PRO 28 3.529 5.597 7.147 174 HA PRO 29 HA PRO 29 6.340 -0.798 8.348 175 HB2 PRO 29 HB2 PRO 29 4.385 -2.686 8.930 176 HB3 PRO 29 HB1 PRO 29 5.621 -2.122 10.071 177 HG2 PRO 29 HG2 PRO 29 2.792 -1.227 9.768 178 HG3 PRO 29 HG1 PRO 29 3.712 -1.583 11.246 179 HD2 PRO 29 HD2 PRO 29 3.346 0.922 10.507 180 HD3 PRO 29 HD1 PRO 29 4.927 0.398 11.123 181 H TYR 30 HN TYR 30 5.130 0.779 6.461 182 HA TYR 30 HA TYR 30 4.237 -1.164 4.456 183 HB2 TYR 30 HB2 TYR 30 2.986 1.580 4.493 184 HB3 TYR 30 HB1 TYR 30 2.418 0.123 3.693 185 HD1 TYR 30 HD1 TYR 30 1.804 2.312 6.330 186 HD2 TYR 30 HD2 TYR 30 1.795 -1.844 5.420 187 HE1 TYR 30 HE1 TYR 30 0.268 1.903 8.210 188 HE2 TYR 30 HE2 TYR 30 0.262 -2.263 7.297 189 HH TYR 30 HH TYR 30 -1.383 0.224 8.912 190 H CYS 31 HN CYS 31 5.593 1.875 5.417 191 HA CYS 31 HA CYS 31 7.392 1.882 3.153 192 HB2 CYS 31 HB2 CYS 31 5.385 3.422 2.654 193 HB3 CYS 31 HB1 CYS 31 6.053 4.463 3.904 194 H GLY 32 HN GLY 32 8.862 1.214 4.668 195 HA2 GLY 32 HA2 GLY 32 10.797 2.487 5.727 196 HA3 GLY 32 HA1 GLY 32 9.561 3.106 6.821 197 H ALA 33 HN ALA 33 10.506 -0.020 5.449 198 HA ALA 33 HA ALA 33 10.999 -2.048 6.314 199 HB1 ALA 33 HB1 ALA 33 10.907 -0.784 9.063 200 HB2 ALA 33 HB2 ALA 33 12.346 -0.927 8.053 201 HB3 ALA 33 HB3 ALA 33 11.549 -2.378 8.662 202 H GLY 34 HN GLY 34 9.395 -3.290 5.815 203 HA2 GLY 34 HA2 GLY 34 7.575 -4.385 7.529 204 HA3 GLY 34 HA1 GLY 34 6.739 -2.989 6.860 205 H GLN 35 HN GLN 35 6.308 -2.900 4.636 206 HA GLN 35 HA GLN 35 6.896 -5.171 2.947 207 HB2 GLN 35 HB2 GLN 35 4.406 -5.436 2.351 208 HB3 GLN 35 HB1 GLN 35 4.959 -6.155 3.853 209 HG2 GLN 35 HG2 GLN 35 4.026 -4.269 5.101 210 HG3 GLN 35 HG1 GLN 35 3.480 -3.539 3.594 211 HE21 GLN 35 HE21 GLN 35 2.982 -6.087 5.897 212 HE22 GLN 35 HE22 GLN 35 1.428 -6.581 5.327 213 H CYS 36 HN CYS 36 8.038 -3.060 2.301 214 HA CYS 36 HA CYS 36 6.432 -1.174 0.797 215 HB2 CYS 36 HB2 CYS 36 9.441 -1.411 0.959 216 HB3 CYS 36 HB1 CYS 36 8.532 -0.035 0.347 217 H GLN 37 HN GLN 37 5.732 -1.561 -1.204 218 HA GLN 37 HA GLN 37 7.230 -3.355 -2.961 219 HB2 GLN 37 HB2 GLN 37 4.708 -3.564 -2.539 220 HB3 GLN 37 HB1 GLN 37 4.535 -2.114 -3.517 221 HG2 GLN 37 HG2 GLN 37 5.733 -3.335 -5.353 222 HG3 GLN 37 HG1 GLN 37 5.594 -4.792 -4.373 223 HE21 GLN 37 HE21 GLN 37 3.629 -5.800 -4.178 224 HE22 GLN 37 HE22 GLN 37 2.248 -5.372 -5.123 225 H SER 38 HN SER 38 5.823 -0.080 -2.941 226 HA SER 38 HA SER 38 7.174 0.602 -5.417 227 HB2 SER 38 HB2 SER 38 5.225 2.152 -3.709 228 HB3 SER 38 HB1 SER 38 5.926 2.762 -5.209 229 HG SER 38 HG SER 38 5.034 0.649 -6.080 230 H GLN 39 HN GLN 39 6.976 1.999 -2.171 231 HA GLN 39 HA GLN 39 9.787 2.796 -2.336 232 HB2 GLN 39 HB2 GLN 39 7.473 4.671 -1.886 233 HB3 GLN 39 HB1 GLN 39 9.079 5.046 -1.280 234 HG2 GLN 39 HG2 GLN 39 8.620 4.386 -4.167 235 HG3 GLN 39 HG1 GLN 39 8.363 6.014 -3.544 236 HE21 GLN 39 HE21 GLN 39 10.702 3.543 -4.245 237 HE22 GLN 39 HE22 GLN 39 12.104 4.543 -4.109 238 H CYS 40 HN CYS 40 10.783 3.237 -0.302 239 HA CYS 40 HA CYS 40 9.266 2.392 2.065 240 HB2 CYS 40 HB2 CYS 40 11.055 0.721 0.877 241 HB3 CYS 40 HB1 CYS 40 12.098 1.564 2.018 Start of MODEL 5 1 H1 PHE 1 HT1 PHE 1 -6.316 -3.621 2.013 2 H2 PHE 1 HT2 PHE 1 -5.974 -2.256 1.072 3 H3 PHE 1 HT3 PHE 1 -7.563 -2.824 1.194 4 HA PHE 1 HA PHE 1 -7.646 -2.278 3.503 5 HB2 PHE 1 HB2 PHE 1 -4.798 -1.368 3.062 6 HB3 PHE 1 HB1 PHE 1 -5.739 -0.968 4.494 7 HD1 PHE 1 HD1 PHE 1 -6.285 -2.665 6.132 8 HD2 PHE 1 HD2 PHE 1 -3.911 -3.588 2.723 9 HE1 PHE 1 HE1 PHE 1 -5.567 -4.757 7.208 10 HE2 PHE 1 HE2 PHE 1 -3.185 -5.684 3.798 11 HZ PHE 1 HZ PHE 1 -4.015 -6.270 6.039 12 H GLN 2 HN GLN 2 -5.695 -0.166 1.463 13 HA GLN 2 HA GLN 2 -7.923 1.674 1.069 14 HB2 GLN 2 HB2 GLN 2 -5.345 2.438 2.443 15 HB3 GLN 2 HB1 GLN 2 -6.349 3.626 1.626 16 HG2 GLN 2 HG2 GLN 2 -8.215 3.055 3.106 17 HG3 GLN 2 HG1 GLN 2 -7.190 1.882 3.932 18 HE21 GLN 2 HE21 GLN 2 -5.534 2.608 5.266 19 HE22 GLN 2 HE22 GLN 2 -5.466 4.234 5.846 20 H CYS 3 HN CYS 3 -5.179 0.092 -0.016 21 HA CYS 3 HA CYS 3 -5.197 1.539 -2.557 22 HB2 CYS 3 HB2 CYS 3 -3.389 2.599 -1.351 23 HB3 CYS 3 HB1 CYS 3 -2.737 1.045 -0.856 24 H GLY 4 HN GLY 4 -3.739 0.313 -4.185 25 HA2 GLY 4 HA2 GLY 4 -3.249 -1.568 -5.387 26 HA3 GLY 4 HA1 GLY 4 -2.996 -2.369 -3.851 27 H ARG 5 HN ARG 5 -3.904 -4.279 -4.198 28 HA ARG 5 HA ARG 5 -6.631 -4.411 -5.259 29 HB2 ARG 5 HB2 ARG 5 -6.157 -6.870 -5.513 30 HB3 ARG 5 HB1 ARG 5 -5.132 -5.822 -6.481 31 HG2 ARG 5 HG2 ARG 5 -3.536 -6.046 -4.385 32 HG3 ARG 5 HG1 ARG 5 -4.441 -7.550 -4.172 33 HD2 ARG 5 HD2 ARG 5 -3.951 -8.113 -6.527 34 HD3 ARG 5 HD1 ARG 5 -2.948 -6.666 -6.628 35 HE ARG 5 HE ARG 5 -2.095 -8.258 -4.463 36 HH11 ARG 5 HH11 ARG 5 -2.021 -8.259 -7.975 37 HH12 ARG 5 HH12 ARG 5 -0.571 -9.203 -8.058 38 HH21 ARG 5 HH21 ARG 5 0.458 -9.901 -6.146 39 HH22 ARG 5 HH22 ARG 5 -0.198 -9.492 -4.597 40 H GLN 6 HN GLN 6 -4.964 -4.549 -2.308 41 HA GLN 6 HA GLN 6 -6.466 -6.481 -0.869 42 HB2 GLN 6 HB2 GLN 6 -4.263 -4.966 -0.332 43 HB3 GLN 6 HB1 GLN 6 -5.478 -4.149 0.640 44 HG2 GLN 6 HG2 GLN 6 -4.938 -7.116 0.788 45 HG3 GLN 6 HG1 GLN 6 -4.169 -5.928 1.832 46 HE21 GLN 6 HE21 GLN 6 -5.961 -8.204 2.402 47 HE22 GLN 6 HE22 GLN 6 -7.269 -7.546 3.319 48 H ALA 7 HN ALA 7 -7.125 -3.343 -1.984 49 HA ALA 7 HA ALA 7 -9.576 -3.122 -0.380 50 HB1 ALA 7 HB1 ALA 7 -7.923 -1.426 0.219 51 HB2 ALA 7 HB2 ALA 7 -9.338 -0.700 -0.545 52 HB3 ALA 7 HB3 ALA 7 -7.849 -0.910 -1.466 53 H GLY 8 HN GLY 8 -8.029 -2.649 -3.480 54 HA2 GLY 8 HA2 GLY 8 -9.740 -3.483 -5.282 55 HA3 GLY 8 HA1 GLY 8 -10.572 -2.014 -4.791 56 H GLY 9 HN GLY 9 -9.109 -0.018 -4.801 57 HA2 GLY 9 HA2 GLY 9 -6.836 0.176 -6.429 58 HA3 GLY 9 HA1 GLY 9 -8.245 0.472 -7.436 59 H ALA 10 HN ALA 10 -6.741 1.518 -4.368 60 HA ALA 10 HA ALA 10 -7.443 4.289 -5.033 61 HB1 ALA 10 HB1 ALA 10 -8.006 3.041 -2.340 62 HB2 ALA 10 HB2 ALA 10 -9.216 3.460 -3.552 63 HB3 ALA 10 HB3 ALA 10 -8.266 4.730 -2.779 64 H ARG 11 HN ARG 11 -6.472 5.703 -3.014 65 HA ARG 11 HA ARG 11 -3.780 4.765 -2.338 66 HB2 ARG 11 HB2 ARG 11 -2.870 7.069 -2.986 67 HB3 ARG 11 HB1 ARG 11 -3.287 6.010 -4.321 68 HG2 ARG 11 HG2 ARG 11 -5.481 7.240 -4.472 69 HG3 ARG 11 HG1 ARG 11 -4.824 8.394 -3.312 70 HD2 ARG 11 HD2 ARG 11 -3.397 7.715 -5.869 71 HD3 ARG 11 HD1 ARG 11 -4.631 8.970 -5.795 72 HE ARG 11 HE ARG 11 -2.599 9.300 -3.806 73 HH11 ARG 11 HH11 ARG 11 -3.359 9.934 -7.175 74 HH12 ARG 11 HH12 ARG 11 -2.265 11.274 -7.289 75 HH21 ARG 11 HH21 ARG 11 -1.179 11.060 -3.977 76 HH22 ARG 11 HH22 ARG 11 -1.033 11.909 -5.480 77 H CYS 12 HN CYS 12 -2.733 6.093 -0.623 78 HA CYS 12 HA CYS 12 -4.731 6.824 1.354 79 HB2 CYS 12 HB2 CYS 12 -1.751 6.484 1.492 80 HB3 CYS 12 HB1 CYS 12 -2.660 7.163 2.835 81 H SER 13 HN SER 13 -1.888 8.621 1.879 82 HA SER 13 HA SER 13 -3.303 11.087 1.889 83 HB2 SER 13 HB2 SER 13 -1.482 10.511 3.508 84 HB3 SER 13 HB1 SER 13 -0.320 10.656 2.190 85 HG SER 13 HG SER 13 -0.326 12.716 2.539 86 H ASN 14 HN ASN 14 -0.332 10.297 0.149 87 HA ASN 14 HA ASN 14 -1.318 11.653 -2.255 88 HB2 ASN 14 HB2 ASN 14 0.188 13.126 -0.642 89 HB3 ASN 14 HB1 ASN 14 1.499 12.207 -1.374 90 HD21 ASN 14 HD21 ASN 14 -1.010 14.548 -1.903 91 HD22 ASN 14 HD22 ASN 14 -0.457 15.095 -3.445 92 H GLY 15 HN GLY 15 1.037 11.471 -3.770 93 HA2 GLY 15 HA2 GLY 15 1.055 8.670 -4.408 94 HA3 GLY 15 HA1 GLY 15 1.981 9.931 -5.213 95 H LEU 16 HN LEU 16 1.816 8.339 -2.058 96 HA LEU 16 HA LEU 16 4.660 8.653 -1.621 97 HB2 LEU 16 HB2 LEU 16 3.845 7.264 0.548 98 HB3 LEU 16 HB1 LEU 16 3.749 9.006 0.416 99 HG LEU 16 HG LEU 16 1.344 8.686 -0.365 100 HD11 LEU 16 HD11 LEU 16 1.705 5.934 0.787 101 HD12 LEU 16 HD12 LEU 16 1.512 6.297 -0.929 102 HD13 LEU 16 HD13 LEU 16 0.206 6.655 0.200 103 HD21 LEU 16 HD21 LEU 16 0.494 8.522 1.868 104 HD22 LEU 16 HD22 LEU 16 1.998 9.443 1.885 105 HD23 LEU 16 HD23 LEU 16 1.985 7.762 2.419 106 H CYS 17 HN CYS 17 3.224 5.824 -0.324 107 HA CYS 17 HA CYS 17 4.541 4.049 -2.251 108 HB2 CYS 17 HB2 CYS 17 4.890 3.250 0.559 109 HB3 CYS 17 HB1 CYS 17 6.052 3.213 -0.760 110 H CYS 18 HN CYS 18 3.712 1.874 -2.198 111 HA CYS 18 HA CYS 18 1.340 1.432 -0.558 112 HB2 CYS 18 HB2 CYS 18 0.502 2.407 -2.629 113 HB3 CYS 18 HB1 CYS 18 1.347 1.185 -3.568 114 H SER 19 HN SER 19 1.365 -0.435 0.369 115 HA SER 19 HA SER 19 3.431 -2.312 0.069 116 HB2 SER 19 HB2 SER 19 0.790 -2.478 1.518 117 HB3 SER 19 HB1 SER 19 2.055 -3.696 1.645 118 HG SER 19 HG SER 19 3.388 -2.210 2.595 119 H GLN 20 HN GLN 20 3.381 -4.502 -0.432 120 HA GLN 20 HA GLN 20 2.666 -5.257 -2.919 121 HB2 GLN 20 HB2 GLN 20 3.099 -6.926 -0.471 122 HB3 GLN 20 HB1 GLN 20 2.833 -7.652 -2.050 123 HG2 GLN 20 HG2 GLN 20 4.801 -6.502 -2.919 124 HG3 GLN 20 HG1 GLN 20 5.059 -5.750 -1.346 125 HE21 GLN 20 HE21 GLN 20 5.804 -7.002 0.367 126 HE22 GLN 20 HE22 GLN 20 6.520 -8.555 0.127 127 H PHE 21 HN PHE 21 0.643 -5.693 -0.094 128 HA PHE 21 HA PHE 21 -1.387 -7.133 -1.567 129 HB2 PHE 21 HB2 PHE 21 -1.352 -6.053 1.252 130 HB3 PHE 21 HB1 PHE 21 -2.691 -6.956 0.560 131 HD1 PHE 21 HD1 PHE 21 -2.554 -9.304 0.186 132 HD2 PHE 21 HD2 PHE 21 0.732 -7.131 1.782 133 HE1 PHE 21 HE1 PHE 21 -1.490 -11.428 0.866 134 HE2 PHE 21 HE2 PHE 21 1.808 -9.245 2.469 135 HZ PHE 21 HZ PHE 21 0.694 -11.396 2.008 136 H GLY 22 HN GLY 22 -0.935 -3.960 -0.190 137 HA2 GLY 22 HA2 GLY 22 -1.937 -2.239 -1.830 138 HA3 GLY 22 HA1 GLY 22 -3.442 -3.029 -1.386 139 H TYR 23 HN TYR 23 -0.599 -2.038 0.505 140 HA TYR 23 HA TYR 23 -2.397 -0.380 2.146 141 HB2 TYR 23 HB2 TYR 23 -1.025 -2.542 3.079 142 HB3 TYR 23 HB1 TYR 23 0.138 -1.259 3.393 143 HD1 TYR 23 HD1 TYR 23 -1.836 -3.124 5.171 144 HD2 TYR 23 HD2 TYR 23 -1.654 1.000 4.134 145 HE1 TYR 23 HE1 TYR 23 -3.087 -2.561 7.211 146 HE2 TYR 23 HE2 TYR 23 -2.907 1.573 6.173 147 HH TYR 23 HH TYR 23 -4.457 0.496 7.747 148 H CYS 24 HN CYS 24 -2.124 1.600 1.465 149 HA CYS 24 HA CYS 24 0.410 2.609 0.543 150 HB2 CYS 24 HB2 CYS 24 -1.028 4.780 0.390 151 HB3 CYS 24 HB1 CYS 24 -1.353 3.456 -0.718 152 H GLY 25 HN GLY 25 1.752 4.000 1.471 153 HA2 GLY 25 HA2 GLY 25 1.149 5.515 3.813 154 HA3 GLY 25 HA1 GLY 25 2.115 4.097 4.192 155 H SER 26 HN SER 26 3.339 6.211 4.882 156 HA SER 26 HA SER 26 5.496 6.584 2.937 157 HB2 SER 26 HB2 SER 26 5.495 9.083 3.398 158 HB3 SER 26 HB1 SER 26 4.131 8.519 2.442 159 HG SER 26 HG SER 26 4.200 9.475 5.057 160 H THR 27 HN THR 27 4.445 5.978 6.021 161 HA THR 27 HA THR 27 7.066 6.428 7.175 162 HB THR 27 HB THR 27 6.274 8.500 7.831 163 HG1 THR 27 HG1 THR 27 5.286 7.068 10.051 164 HG21 THR 27 HG21 THR 27 3.904 8.068 7.063 165 HG22 THR 27 HG22 THR 27 4.064 9.088 8.490 166 HG23 THR 27 HG23 THR 27 3.590 7.400 8.665 167 HA PRO 28 HA PRO 28 4.642 3.394 10.028 168 HB2 PRO 28 HB2 PRO 28 2.292 2.388 8.667 169 HB3 PRO 28 HB1 PRO 28 2.358 3.383 10.131 170 HG2 PRO 28 HG2 PRO 28 1.308 4.271 7.804 171 HG3 PRO 28 HG1 PRO 28 2.093 5.338 8.988 172 HD2 PRO 28 HD2 PRO 28 3.290 4.101 6.506 173 HD3 PRO 28 HD1 PRO 28 3.336 5.800 7.039 174 HA PRO 29 HA PRO 29 6.053 -0.579 8.355 175 HB2 PRO 29 HB2 PRO 29 4.109 -2.455 8.962 176 HB3 PRO 29 HB1 PRO 29 5.323 -1.862 10.110 177 HG2 PRO 29 HG2 PRO 29 2.492 -0.994 9.751 178 HG3 PRO 29 HG1 PRO 29 3.392 -1.321 11.248 179 HD2 PRO 29 HD2 PRO 29 3.014 1.170 10.451 180 HD3 PRO 29 HD1 PRO 29 4.577 0.673 11.128 181 H TYR 30 HN TYR 30 4.831 1.005 6.477 182 HA TYR 30 HA TYR 30 3.933 -0.945 4.482 183 HB2 TYR 30 HB2 TYR 30 2.689 1.790 4.440 184 HB3 TYR 30 HB1 TYR 30 2.092 0.295 3.744 185 HD1 TYR 30 HD1 TYR 30 1.559 -1.565 5.669 186 HD2 TYR 30 HD2 TYR 30 1.473 2.657 6.186 187 HE1 TYR 30 HE1 TYR 30 0.055 -1.841 7.595 188 HE2 TYR 30 HE2 TYR 30 -0.029 2.389 8.118 189 HH TYR 30 HH TYR 30 -0.588 -0.599 9.617 190 H CYS 31 HN CYS 31 5.477 1.982 5.455 191 HA CYS 31 HA CYS 31 7.144 1.975 3.111 192 HB2 CYS 31 HB2 CYS 31 5.225 3.581 2.624 193 HB3 CYS 31 HB1 CYS 31 5.903 4.596 3.893 194 H GLY 32 HN GLY 32 8.684 1.276 4.499 195 HA2 GLY 32 HA2 GLY 32 10.562 2.962 5.481 196 HA3 GLY 32 HA1 GLY 32 9.459 2.765 6.842 197 H ALA 33 HN ALA 33 8.736 0.351 7.027 198 HA ALA 33 HA ALA 33 10.620 -1.686 6.382 199 HB1 ALA 33 HB1 ALA 33 10.486 -0.854 9.296 200 HB2 ALA 33 HB2 ALA 33 11.875 -0.634 8.232 201 HB3 ALA 33 HB3 ALA 33 11.339 -2.260 8.658 202 H GLY 34 HN GLY 34 8.900 -2.761 5.592 203 HA2 GLY 34 HA2 GLY 34 7.370 -4.345 7.383 204 HA3 GLY 34 HA1 GLY 34 6.379 -3.067 6.691 205 H GLN 35 HN GLN 35 5.997 -3.023 4.469 206 HA GLN 35 HA GLN 35 6.878 -5.238 2.816 207 HB2 GLN 35 HB2 GLN 35 4.363 -5.581 2.134 208 HB3 GLN 35 HB1 GLN 35 5.014 -6.412 3.536 209 HG2 GLN 35 HG2 GLN 35 4.053 -4.607 4.966 210 HG3 GLN 35 HG1 GLN 35 3.283 -3.945 3.526 211 HE21 GLN 35 HE21 GLN 35 1.585 -5.081 2.563 212 HE22 GLN 35 HE22 GLN 35 0.736 -6.334 3.393 213 H CYS 36 HN CYS 36 7.837 -2.958 2.289 214 HA CYS 36 HA CYS 36 6.181 -1.234 0.680 215 HB2 CYS 36 HB2 CYS 36 8.390 -0.109 0.176 216 HB3 CYS 36 HB1 CYS 36 7.936 -0.180 1.875 217 H GLN 37 HN GLN 37 5.669 -1.479 -1.383 218 HA GLN 37 HA GLN 37 7.278 -3.239 -3.087 219 HB2 GLN 37 HB2 GLN 37 4.733 -3.525 -2.721 220 HB3 GLN 37 HB1 GLN 37 4.566 -2.129 -3.777 221 HG2 GLN 37 HG2 GLN 37 5.888 -3.390 -5.490 222 HG3 GLN 37 HG1 GLN 37 5.758 -4.803 -4.446 223 HE21 GLN 37 HE21 GLN 37 3.792 -5.842 -4.238 224 HE22 GLN 37 HE22 GLN 37 2.455 -5.528 -5.286 225 H SER 38 HN SER 38 5.653 -0.064 -3.132 226 HA SER 38 HA SER 38 6.968 0.733 -5.572 227 HB2 SER 38 HB2 SER 38 5.089 2.215 -3.731 228 HB3 SER 38 HB1 SER 38 5.719 2.877 -5.239 229 HG SER 38 HG SER 38 3.905 0.774 -4.833 230 H GLN 39 HN GLN 39 6.932 1.963 -2.258 231 HA GLN 39 HA GLN 39 9.715 2.815 -2.543 232 HB2 GLN 39 HB2 GLN 39 7.404 4.619 -1.878 233 HB3 GLN 39 HB1 GLN 39 9.016 4.972 -1.269 234 HG2 GLN 39 HG2 GLN 39 9.859 5.017 -3.571 235 HG3 GLN 39 HG1 GLN 39 8.230 4.697 -4.162 236 HE21 GLN 39 HE21 GLN 39 10.343 7.028 -2.689 237 HE22 GLN 39 HE22 GLN 39 9.332 8.406 -2.939 238 H CYS 40 HN CYS 40 10.912 2.694 -0.711 239 HA CYS 40 HA CYS 40 9.574 1.581 1.659 240 HB2 CYS 40 HB2 CYS 40 12.474 1.363 0.819 241 HB3 CYS 40 HB1 CYS 40 11.761 0.616 2.244 Start of MODEL 6 1 H1 PHE 1 HT1 PHE 1 -7.799 -1.917 1.605 2 H2 PHE 1 HT2 PHE 1 -6.677 -2.916 2.381 3 H3 PHE 1 HT3 PHE 1 -6.142 -1.608 1.451 4 HA PHE 1 HA PHE 1 -7.726 -1.416 3.936 5 HB2 PHE 1 HB2 PHE 1 -4.802 -0.863 3.404 6 HB3 PHE 1 HB1 PHE 1 -5.638 -0.422 4.888 7 HD1 PHE 1 HD1 PHE 1 -4.193 -3.149 2.937 8 HD2 PHE 1 HD2 PHE 1 -6.320 -2.123 6.478 9 HE1 PHE 1 HE1 PHE 1 -3.674 -5.360 3.890 10 HE2 PHE 1 HE2 PHE 1 -5.810 -4.332 7.432 11 HZ PHE 1 HZ PHE 1 -4.484 -5.953 6.137 12 H GLN 2 HN GLN 2 -5.633 0.397 1.754 13 HA GLN 2 HA GLN 2 -7.575 2.567 1.566 14 HB2 GLN 2 HB2 GLN 2 -4.762 2.910 2.609 15 HB3 GLN 2 HB1 GLN 2 -5.669 4.243 1.912 16 HG2 GLN 2 HG2 GLN 2 -6.773 2.636 4.187 17 HG3 GLN 2 HG1 GLN 2 -5.654 3.969 4.460 18 HE21 GLN 2 HE21 GLN 2 -8.837 3.061 3.405 19 HE22 GLN 2 HE22 GLN 2 -9.526 4.646 3.444 20 H CYS 3 HN CYS 3 -5.098 0.648 0.283 21 HA CYS 3 HA CYS 3 -4.542 2.345 -2.013 22 HB2 CYS 3 HB2 CYS 3 -2.760 1.052 -0.835 23 HB3 CYS 3 HB1 CYS 3 -3.535 -0.430 -1.371 24 H GLY 4 HN GLY 4 -4.405 0.948 -4.182 25 HA2 GLY 4 HA2 GLY 4 -7.147 0.076 -4.651 26 HA3 GLY 4 HA1 GLY 4 -5.962 0.485 -5.876 27 H ARG 5 HN ARG 5 -4.836 -1.713 -3.456 28 HA ARG 5 HA ARG 5 -5.223 -3.874 -5.378 29 HB2 ARG 5 HB2 ARG 5 -2.857 -3.093 -4.923 30 HB3 ARG 5 HB1 ARG 5 -3.034 -3.815 -3.325 31 HG2 ARG 5 HG2 ARG 5 -3.323 -5.966 -4.226 32 HG3 ARG 5 HG1 ARG 5 -3.512 -5.329 -5.860 33 HD2 ARG 5 HD2 ARG 5 -0.994 -4.951 -4.276 34 HD3 ARG 5 HD1 ARG 5 -1.268 -6.383 -5.268 35 HE ARG 5 HE ARG 5 -1.649 -3.910 -6.683 36 HH11 ARG 5 HH11 ARG 5 0.753 -6.287 -5.728 37 HH12 ARG 5 HH12 ARG 5 1.840 -5.874 -7.012 38 HH21 ARG 5 HH21 ARG 5 1.293 -4.233 -8.498 39 HH22 ARG 5 HH22 ARG 5 -0.211 -3.386 -8.356 40 H GLN 6 HN GLN 6 -5.156 -3.195 -1.909 41 HA GLN 6 HA GLN 6 -6.203 -5.802 -1.203 42 HB2 GLN 6 HB2 GLN 6 -4.767 -4.000 0.203 43 HB3 GLN 6 HB1 GLN 6 -6.377 -3.535 0.721 44 HG2 GLN 6 HG2 GLN 6 -5.500 -6.403 0.863 45 HG3 GLN 6 HG1 GLN 6 -5.047 -5.256 2.119 46 HE21 GLN 6 HE21 GLN 6 -6.663 -4.342 3.417 47 HE22 GLN 6 HE22 GLN 6 -8.222 -5.070 3.565 48 H ALA 7 HN ALA 7 -7.393 -3.073 -2.556 49 HA ALA 7 HA ALA 7 -10.134 -3.408 -1.563 50 HB1 ALA 7 HB1 ALA 7 -8.817 -1.002 -2.800 51 HB2 ALA 7 HB2 ALA 7 -9.143 -1.228 -1.082 52 HB3 ALA 7 HB3 ALA 7 -10.480 -1.083 -2.222 53 H GLY 8 HN GLY 8 -8.093 -2.986 -4.379 54 HA2 GLY 8 HA2 GLY 8 -8.608 -4.286 -6.385 55 HA3 GLY 8 HA1 GLY 8 -10.303 -3.920 -6.102 56 H GLY 9 HN GLY 9 -9.451 -1.095 -5.350 57 HA2 GLY 9 HA2 GLY 9 -8.252 0.185 -7.532 58 HA3 GLY 9 HA1 GLY 9 -9.983 0.132 -7.831 59 H ALA 10 HN ALA 10 -7.450 1.395 -5.800 60 HA ALA 10 HA ALA 10 -9.106 3.664 -5.021 61 HB1 ALA 10 HB1 ALA 10 -9.450 2.047 -3.202 62 HB2 ALA 10 HB2 ALA 10 -8.551 3.456 -2.642 63 HB3 ALA 10 HB3 ALA 10 -7.705 1.943 -2.962 64 H ARG 11 HN ARG 11 -7.428 5.000 -3.336 65 HA ARG 11 HA ARG 11 -4.765 5.022 -4.561 66 HB2 ARG 11 HB2 ARG 11 -6.653 7.378 -4.448 67 HB3 ARG 11 HB1 ARG 11 -4.916 7.577 -4.628 68 HG2 ARG 11 HG2 ARG 11 -4.978 6.287 -6.703 69 HG3 ARG 11 HG1 ARG 11 -6.720 6.076 -6.521 70 HD2 ARG 11 HD2 ARG 11 -5.413 8.783 -6.655 71 HD3 ARG 11 HD1 ARG 11 -5.954 7.916 -8.092 72 HE ARG 11 HE ARG 11 -8.067 8.050 -6.239 73 HH11 ARG 11 HH11 ARG 11 -6.282 10.167 -8.400 74 HH12 ARG 11 HH12 ARG 11 -7.607 11.263 -8.606 75 HH21 ARG 11 HH21 ARG 11 -9.789 9.497 -6.525 76 HH22 ARG 11 HH22 ARG 11 -9.590 10.883 -7.546 77 H CYS 12 HN CYS 12 -3.136 6.037 -3.339 78 HA CYS 12 HA CYS 12 -3.428 5.700 -0.536 79 HB2 CYS 12 HB2 CYS 12 -1.155 6.670 -2.259 80 HB3 CYS 12 HB1 CYS 12 -1.020 6.448 -0.520 81 H SER 13 HN SER 13 -1.968 7.504 0.790 82 HA SER 13 HA SER 13 -3.751 9.708 1.116 83 HB2 SER 13 HB2 SER 13 -2.300 8.468 2.925 84 HB3 SER 13 HB1 SER 13 -1.047 9.610 2.436 85 HG SER 13 HG SER 13 -3.139 10.020 4.043 86 H ASN 14 HN ASN 14 -0.371 9.488 0.160 87 HA ASN 14 HA ASN 14 -0.622 11.922 -1.450 88 HB2 ASN 14 HB2 ASN 14 1.467 11.453 0.693 89 HB3 ASN 14 HB1 ASN 14 1.657 12.654 -0.580 90 HD21 ASN 14 HD21 ASN 14 -0.076 11.766 2.294 91 HD22 ASN 14 HD22 ASN 14 -0.800 13.308 2.580 92 H GLY 15 HN GLY 15 2.017 12.117 -2.315 93 HA2 GLY 15 HA2 GLY 15 2.156 9.918 -4.167 94 HA3 GLY 15 HA1 GLY 15 3.253 11.291 -4.088 95 H LEU 16 HN LEU 16 2.350 8.579 -1.997 96 HA LEU 16 HA LEU 16 5.171 8.170 -1.308 97 HB2 LEU 16 HB2 LEU 16 4.046 6.722 0.571 98 HB3 LEU 16 HB1 LEU 16 4.089 8.462 0.703 99 HG LEU 16 HG LEU 16 1.692 8.278 -0.403 100 HD11 LEU 16 HD11 LEU 16 2.216 5.545 0.602 101 HD12 LEU 16 HD12 LEU 16 1.269 6.084 -0.784 102 HD13 LEU 16 HD13 LEU 16 0.626 6.251 0.849 103 HD21 LEU 16 HD21 LEU 16 0.718 8.431 1.753 104 HD22 LEU 16 HD22 LEU 16 2.287 9.228 1.814 105 HD23 LEU 16 HD23 LEU 16 2.087 7.611 2.492 106 H CYS 17 HN CYS 17 3.591 5.414 -0.397 107 HA CYS 17 HA CYS 17 3.934 4.022 -2.952 108 HB2 CYS 17 HB2 CYS 17 5.019 2.216 -1.163 109 HB3 CYS 17 HB1 CYS 17 5.933 3.213 -2.280 110 H CYS 18 HN CYS 18 3.443 1.517 -2.437 111 HA CYS 18 HA CYS 18 1.099 1.290 -0.692 112 HB2 CYS 18 HB2 CYS 18 0.156 1.853 -2.831 113 HB3 CYS 18 HB1 CYS 18 1.188 0.695 -3.656 114 H SER 19 HN SER 19 1.158 -0.507 0.470 115 HA SER 19 HA SER 19 3.299 -2.349 0.340 116 HB2 SER 19 HB2 SER 19 2.041 -1.713 2.412 117 HB3 SER 19 HB1 SER 19 0.697 -2.698 1.837 118 HG SER 19 HG SER 19 3.313 -3.726 2.160 119 H GLN 20 HN GLN 20 3.173 -4.655 0.175 120 HA GLN 20 HA GLN 20 2.531 -5.668 -2.223 121 HB2 GLN 20 HB2 GLN 20 2.737 -7.063 0.415 122 HB3 GLN 20 HB1 GLN 20 2.507 -7.953 -1.082 123 HG2 GLN 20 HG2 GLN 20 4.576 -7.002 -1.966 124 HG3 GLN 20 HG1 GLN 20 4.806 -6.109 -0.464 125 HE21 GLN 20 HE21 GLN 20 5.389 -7.218 1.403 126 HE22 GLN 20 HE22 GLN 20 6.020 -8.826 1.358 127 H PHE 21 HN PHE 21 0.359 -5.828 0.537 128 HA PHE 21 HA PHE 21 -1.683 -7.221 -0.978 129 HB2 PHE 21 HB2 PHE 21 -1.611 -6.132 1.833 130 HB3 PHE 21 HB1 PHE 21 -3.044 -6.879 1.136 131 HD1 PHE 21 HD1 PHE 21 -3.130 -9.243 0.707 132 HD2 PHE 21 HD2 PHE 21 0.329 -7.432 2.392 133 HE1 PHE 21 HE1 PHE 21 -2.297 -11.468 1.372 134 HE2 PHE 21 HE2 PHE 21 1.174 -9.650 3.062 135 HZ PHE 21 HZ PHE 21 -0.141 -11.671 2.551 136 H GLY 22 HN GLY 22 -0.939 -4.019 0.049 137 HA2 GLY 22 HA2 GLY 22 -1.855 -2.271 -1.488 138 HA3 GLY 22 HA1 GLY 22 -3.423 -2.992 -1.163 139 H TYR 23 HN TYR 23 -0.638 -2.066 0.844 140 HA TYR 23 HA TYR 23 -2.471 -0.457 2.495 141 HB2 TYR 23 HB2 TYR 23 -1.223 -2.635 3.437 142 HB3 TYR 23 HB1 TYR 23 0.071 -1.470 3.683 143 HD1 TYR 23 HD1 TYR 23 -1.362 0.948 4.540 144 HD2 TYR 23 HD2 TYR 23 -2.073 -3.133 5.523 145 HE1 TYR 23 HE1 TYR 23 -2.427 1.647 6.645 146 HE2 TYR 23 HE2 TYR 23 -3.142 -2.443 7.628 147 HH TYR 23 HH TYR 23 -4.046 0.763 8.272 148 H CYS 24 HN CYS 24 -2.158 1.585 2.161 149 HA CYS 24 HA CYS 24 0.248 2.652 1.020 150 HB2 CYS 24 HB2 CYS 24 -2.264 3.969 2.030 151 HB3 CYS 24 HB1 CYS 24 -0.978 4.796 1.161 152 H GLY 25 HN GLY 25 1.561 4.292 1.883 153 HA2 GLY 25 HA2 GLY 25 1.368 5.358 4.466 154 HA3 GLY 25 HA1 GLY 25 2.359 3.913 4.558 155 H SER 26 HN SER 26 3.561 6.026 5.347 156 HA SER 26 HA SER 26 5.706 6.478 3.447 157 HB2 SER 26 HB2 SER 26 4.083 8.298 2.880 158 HB3 SER 26 HB1 SER 26 4.192 8.875 4.537 159 HG SER 26 HG SER 26 6.074 8.990 2.471 160 H THR 27 HN THR 27 4.715 5.650 6.331 161 HA THR 27 HA THR 27 7.081 6.540 7.745 162 HB THR 27 HB THR 27 6.023 8.244 8.776 163 HG1 THR 27 HG1 THR 27 4.290 6.515 10.149 164 HG21 THR 27 HG21 THR 27 3.870 8.904 8.373 165 HG22 THR 27 HG22 THR 27 3.209 7.293 8.628 166 HG23 THR 27 HG23 THR 27 3.996 7.688 7.101 167 HA PRO 28 HA PRO 28 5.125 2.840 10.125 168 HB2 PRO 28 HB2 PRO 28 2.777 1.815 8.810 169 HB3 PRO 28 HB1 PRO 28 2.853 2.716 10.332 170 HG2 PRO 28 HG2 PRO 28 1.646 3.676 8.090 171 HG3 PRO 28 HG1 PRO 28 2.364 4.707 9.343 172 HD2 PRO 28 HD2 PRO 28 3.610 3.788 6.749 173 HD3 PRO 28 HD1 PRO 28 3.528 5.433 7.423 174 HA PRO 29 HA PRO 29 6.647 -0.830 7.927 175 HB2 PRO 29 HB2 PRO 29 4.343 -2.523 8.751 176 HB3 PRO 29 HB1 PRO 29 6.075 -2.743 9.068 177 HG2 PRO 29 HG2 PRO 29 4.473 -2.005 11.012 178 HG3 PRO 29 HG1 PRO 29 6.078 -1.260 10.840 179 HD2 PRO 29 HD2 PRO 29 3.409 -0.177 10.019 180 HD3 PRO 29 HD1 PRO 29 4.731 0.634 10.884 181 H TYR 30 HN TYR 30 5.266 0.798 6.266 182 HA TYR 30 HA TYR 30 4.263 -1.036 4.211 183 HB2 TYR 30 HB2 TYR 30 2.969 1.665 4.515 184 HB3 TYR 30 HB1 TYR 30 2.375 0.253 3.659 185 HD1 TYR 30 HD1 TYR 30 1.824 2.265 6.408 186 HD2 TYR 30 HD2 TYR 30 1.983 -1.848 5.343 187 HE1 TYR 30 HE1 TYR 30 0.417 1.708 8.352 188 HE2 TYR 30 HE2 TYR 30 0.580 -2.418 7.282 189 HH TYR 30 HH TYR 30 -1.102 -0.082 9.075 190 H CYS 31 HN CYS 31 5.684 1.947 5.259 191 HA CYS 31 HA CYS 31 7.276 2.150 2.877 192 HB2 CYS 31 HB2 CYS 31 5.371 4.329 3.688 193 HB3 CYS 31 HB1 CYS 31 6.748 4.604 2.620 194 H GLY 32 HN GLY 32 8.929 1.640 4.200 195 HA2 GLY 32 HA2 GLY 32 10.649 3.474 5.149 196 HA3 GLY 32 HA1 GLY 32 9.587 3.222 6.533 197 H ALA 33 HN ALA 33 9.053 0.741 6.734 198 HA ALA 33 HA ALA 33 11.039 -1.173 6.103 199 HB1 ALA 33 HB1 ALA 33 11.041 -0.237 8.988 200 HB2 ALA 33 HB2 ALA 33 12.341 0.025 7.827 201 HB3 ALA 33 HB3 ALA 33 11.938 -1.612 8.344 202 H GLY 34 HN GLY 34 9.397 -2.451 5.496 203 HA2 GLY 34 HA2 GLY 34 8.127 -4.082 7.396 204 HA3 GLY 34 HA1 GLY 34 6.985 -2.858 6.867 205 H GLN 35 HN GLN 35 6.169 -2.902 4.791 206 HA GLN 35 HA GLN 35 6.941 -5.171 3.092 207 HB2 GLN 35 HB2 GLN 35 4.057 -4.433 3.656 208 HB3 GLN 35 HB1 GLN 35 4.629 -5.777 2.682 209 HG2 GLN 35 HG2 GLN 35 5.689 -6.689 4.787 210 HG3 GLN 35 HG1 GLN 35 4.790 -5.452 5.665 211 HE21 GLN 35 HE21 GLN 35 4.573 -8.385 3.812 212 HE22 GLN 35 HE22 GLN 35 2.938 -8.764 4.224 213 H CYS 36 HN CYS 36 8.005 -2.930 2.389 214 HA CYS 36 HA CYS 36 6.347 -1.199 0.803 215 HB2 CYS 36 HB2 CYS 36 9.357 -1.471 0.851 216 HB3 CYS 36 HB1 CYS 36 8.454 -0.140 0.141 217 H GLN 37 HN GLN 37 5.521 -1.700 -1.151 218 HA GLN 37 HA GLN 37 6.932 -3.611 -2.861 219 HB2 GLN 37 HB2 GLN 37 4.440 -3.808 -2.281 220 HB3 GLN 37 HB1 GLN 37 4.196 -2.440 -3.357 221 HG2 GLN 37 HG2 GLN 37 5.286 -3.773 -5.166 222 HG3 GLN 37 HG1 GLN 37 5.276 -5.153 -4.071 223 HE21 GLN 37 HE21 GLN 37 3.383 -6.228 -3.681 224 HE22 GLN 37 HE22 GLN 37 1.919 -5.918 -4.544 225 H SER 38 HN SER 38 5.484 -0.355 -3.005 226 HA SER 38 HA SER 38 6.631 0.161 -5.612 227 HB2 SER 38 HB2 SER 38 4.863 1.798 -3.795 228 HB3 SER 38 HB1 SER 38 5.486 2.408 -5.328 229 HG SER 38 HG SER 38 4.146 -0.061 -5.251 230 H GLN 39 HN GLN 39 6.829 1.656 -2.424 231 HA GLN 39 HA GLN 39 9.627 2.347 -2.847 232 HB2 GLN 39 HB2 GLN 39 7.480 4.282 -3.036 233 HB3 GLN 39 HB1 GLN 39 8.526 4.671 -1.681 234 HG2 GLN 39 HG2 GLN 39 10.461 4.555 -3.246 235 HG3 GLN 39 HG1 GLN 39 9.309 4.354 -4.566 236 HE21 GLN 39 HE21 GLN 39 8.006 6.081 -5.169 237 HE22 GLN 39 HE22 GLN 39 8.351 7.704 -4.687 238 H CYS 40 HN CYS 40 10.666 3.140 -0.823 239 HA CYS 40 HA CYS 40 9.226 2.403 1.625 240 HB2 CYS 40 HB2 CYS 40 11.014 0.665 0.533 241 HB3 CYS 40 HB1 CYS 40 12.069 1.605 1.584 Start of MODEL 7 1 H1 PHE 1 HT1 PHE 1 -6.876 -0.664 5.609 2 H2 PHE 1 HT2 PHE 1 -6.179 -2.202 5.701 3 H3 PHE 1 HT3 PHE 1 -7.753 -2.023 5.111 4 HA PHE 1 HA PHE 1 -5.300 -0.968 3.830 5 HB2 PHE 1 HB2 PHE 1 -7.083 -3.306 3.116 6 HB3 PHE 1 HB1 PHE 1 -5.849 -2.642 2.053 7 HD1 PHE 1 HD1 PHE 1 -6.412 -4.395 5.252 8 HD2 PHE 1 HD2 PHE 1 -3.571 -3.207 2.312 9 HE1 PHE 1 HE1 PHE 1 -4.739 -5.882 6.273 10 HE2 PHE 1 HE2 PHE 1 -1.894 -4.691 3.332 11 HZ PHE 1 HZ PHE 1 -2.477 -6.032 5.313 12 H GLN 2 HN GLN 2 -5.602 0.158 1.916 13 HA GLN 2 HA GLN 2 -8.331 0.794 1.064 14 HB2 GLN 2 HB2 GLN 2 -6.284 2.888 1.822 15 HB3 GLN 2 HB1 GLN 2 -7.790 3.228 0.988 16 HG2 GLN 2 HG2 GLN 2 -7.757 1.889 3.668 17 HG3 GLN 2 HG1 GLN 2 -7.669 3.642 3.509 18 HE21 GLN 2 HE21 GLN 2 -9.649 0.816 3.098 19 HE22 GLN 2 HE22 GLN 2 -11.151 1.644 2.897 20 H CYS 3 HN CYS 3 -4.922 0.790 0.491 21 HA CYS 3 HA CYS 3 -5.160 1.665 -2.281 22 HB2 CYS 3 HB2 CYS 3 -3.407 2.677 -1.018 23 HB3 CYS 3 HB1 CYS 3 -2.835 1.125 -0.430 24 H GLY 4 HN GLY 4 -3.693 0.484 -3.870 25 HA2 GLY 4 HA2 GLY 4 -3.169 -1.329 -5.142 26 HA3 GLY 4 HA1 GLY 4 -2.914 -2.186 -3.641 27 H ARG 5 HN ARG 5 -3.607 -4.034 -4.775 28 HA ARG 5 HA ARG 5 -6.264 -4.280 -5.797 29 HB2 ARG 5 HB2 ARG 5 -5.695 -6.703 -6.009 30 HB3 ARG 5 HB1 ARG 5 -4.534 -5.633 -6.779 31 HG2 ARG 5 HG2 ARG 5 -3.285 -5.856 -4.482 32 HG3 ARG 5 HG1 ARG 5 -4.228 -7.348 -4.374 33 HD2 ARG 5 HD2 ARG 5 -3.400 -7.965 -6.620 34 HD3 ARG 5 HD1 ARG 5 -2.376 -6.531 -6.596 35 HE ARG 5 HE ARG 5 -1.846 -8.046 -4.297 36 HH11 ARG 5 HH11 ARG 5 -1.358 -8.278 -7.768 37 HH12 ARG 5 HH12 ARG 5 0.051 -9.273 -7.618 38 HH21 ARG 5 HH21 ARG 5 0.819 -9.880 -5.558 39 HH22 ARG 5 HH22 ARG 5 -0.000 -9.351 -4.126 40 H GLN 6 HN GLN 6 -5.019 -4.343 -2.644 41 HA GLN 6 HA GLN 6 -6.589 -6.324 -1.377 42 HB2 GLN 6 HB2 GLN 6 -4.689 -4.460 -0.581 43 HB3 GLN 6 HB1 GLN 6 -6.150 -3.932 0.236 44 HG2 GLN 6 HG2 GLN 6 -5.041 -6.734 0.387 45 HG3 GLN 6 HG1 GLN 6 -4.729 -5.476 1.582 46 HE21 GLN 6 HE21 GLN 6 -7.084 -7.654 0.244 47 HE22 GLN 6 HE22 GLN 6 -8.249 -7.505 1.512 48 H ALA 7 HN ALA 7 -7.277 -3.262 -2.684 49 HA ALA 7 HA ALA 7 -10.030 -3.269 -1.672 50 HB1 ALA 7 HB1 ALA 7 -8.720 -1.553 -0.537 51 HB2 ALA 7 HB2 ALA 7 -9.932 -0.829 -1.595 52 HB3 ALA 7 HB3 ALA 7 -8.243 -0.887 -2.099 53 H GLY 8 HN GLY 8 -7.783 -2.355 -4.196 54 HA2 GLY 8 HA2 GLY 8 -8.943 -3.127 -6.449 55 HA3 GLY 8 HA1 GLY 8 -9.909 -1.705 -6.085 56 H GLY 9 HN GLY 9 -8.464 0.263 -5.472 57 HA2 GLY 9 HA2 GLY 9 -5.876 0.567 -6.511 58 HA3 GLY 9 HA1 GLY 9 -7.017 1.023 -7.766 59 H ALA 10 HN ALA 10 -5.817 1.795 -4.544 60 HA ALA 10 HA ALA 10 -6.651 4.578 -4.925 61 HB1 ALA 10 HB1 ALA 10 -7.576 4.747 -2.674 62 HB2 ALA 10 HB2 ALA 10 -7.263 3.033 -2.402 63 HB3 ALA 10 HB3 ALA 10 -8.444 3.532 -3.613 64 H ARG 11 HN ARG 11 -5.760 5.931 -2.950 65 HA ARG 11 HA ARG 11 -3.148 4.962 -2.044 66 HB2 ARG 11 HB2 ARG 11 -2.108 7.193 -2.650 67 HB3 ARG 11 HB1 ARG 11 -2.517 6.186 -4.026 68 HG2 ARG 11 HG2 ARG 11 -4.552 7.534 -4.381 69 HG3 ARG 11 HG1 ARG 11 -4.083 8.563 -3.028 70 HD2 ARG 11 HD2 ARG 11 -3.374 9.698 -4.971 71 HD3 ARG 11 HD1 ARG 11 -1.919 8.985 -4.275 72 HE ARG 11 HE ARG 11 -2.948 7.180 -6.138 73 HH11 ARG 11 HH11 ARG 11 -1.507 10.383 -6.150 74 HH12 ARG 11 HH12 ARG 11 -0.859 10.210 -7.746 75 HH21 ARG 11 HH21 ARG 11 -2.089 6.977 -8.226 76 HH22 ARG 11 HH22 ARG 11 -1.188 8.284 -8.919 77 H CYS 12 HN CYS 12 -2.240 6.252 -0.249 78 HA CYS 12 HA CYS 12 -4.371 7.053 1.546 79 HB2 CYS 12 HB2 CYS 12 -1.423 6.645 1.917 80 HB3 CYS 12 HB1 CYS 12 -2.397 7.397 3.173 81 H SER 13 HN SER 13 -1.515 8.802 2.212 82 HA SER 13 HA SER 13 -2.843 11.288 2.246 83 HB2 SER 13 HB2 SER 13 -0.954 10.693 3.758 84 HB3 SER 13 HB1 SER 13 0.141 10.770 2.379 85 HG SER 13 HG SER 13 -1.431 12.908 3.393 86 H ASN 14 HN ASN 14 -0.001 10.452 0.328 87 HA ASN 14 HA ASN 14 -1.100 11.824 -2.016 88 HB2 ASN 14 HB2 ASN 14 0.525 13.275 -0.503 89 HB3 ASN 14 HB1 ASN 14 1.773 12.322 -1.296 90 HD21 ASN 14 HD21 ASN 14 -0.710 14.713 -1.710 91 HD22 ASN 14 HD22 ASN 14 -0.228 15.237 -3.284 92 H GLY 15 HN GLY 15 1.244 11.580 -3.611 93 HA2 GLY 15 HA2 GLY 15 1.121 8.782 -4.256 94 HA3 GLY 15 HA1 GLY 15 2.081 10.004 -5.083 95 H LEU 16 HN LEU 16 1.922 8.464 -1.898 96 HA LEU 16 HA LEU 16 4.771 8.678 -1.499 97 HB2 LEU 16 HB2 LEU 16 3.948 7.268 0.654 98 HB3 LEU 16 HB1 LEU 16 3.869 9.012 0.552 99 HG LEU 16 HG LEU 16 1.465 8.756 -0.200 100 HD11 LEU 16 HD11 LEU 16 0.283 6.744 0.162 101 HD12 LEU 16 HD12 LEU 16 1.703 5.959 0.850 102 HD13 LEU 16 HD13 LEU 16 1.663 6.362 -0.867 103 HD21 LEU 16 HD21 LEU 16 2.063 7.652 2.525 104 HD22 LEU 16 HD22 LEU 16 0.616 8.518 2.014 105 HD23 LEU 16 HD23 LEU 16 2.163 9.360 2.097 106 H CYS 17 HN CYS 17 3.335 5.857 -0.203 107 HA CYS 17 HA CYS 17 4.547 4.075 -2.185 108 HB2 CYS 17 HB2 CYS 17 5.098 3.242 0.572 109 HB3 CYS 17 HB1 CYS 17 6.176 3.279 -0.816 110 H CYS 18 HN CYS 18 3.842 1.797 -1.879 111 HA CYS 18 HA CYS 18 1.525 1.419 -0.158 112 HB2 CYS 18 HB2 CYS 18 0.657 2.314 -2.299 113 HB3 CYS 18 HB1 CYS 18 1.366 0.940 -3.136 114 H SER 19 HN SER 19 1.229 -0.594 0.570 115 HA SER 19 HA SER 19 3.418 -2.415 0.394 116 HB2 SER 19 HB2 SER 19 0.740 -2.688 1.767 117 HB3 SER 19 HB1 SER 19 2.111 -3.774 1.992 118 HG SER 19 HG SER 19 3.274 -2.078 2.875 119 H GLN 20 HN GLN 20 3.269 -4.680 0.006 120 HA GLN 20 HA GLN 20 2.689 -5.469 -2.505 121 HB2 GLN 20 HB2 GLN 20 2.922 -7.016 0.034 122 HB3 GLN 20 HB1 GLN 20 2.569 -7.848 -1.474 123 HG2 GLN 20 HG2 GLN 20 4.858 -5.975 -1.480 124 HG3 GLN 20 HG1 GLN 20 5.046 -7.477 -0.576 125 HE21 GLN 20 HE21 GLN 20 5.016 -9.437 -1.675 126 HE22 GLN 20 HE22 GLN 20 5.232 -9.535 -3.387 127 H PHE 21 HN PHE 21 0.480 -5.714 0.191 128 HA PHE 21 HA PHE 21 -1.561 -7.065 -1.343 129 HB2 PHE 21 HB2 PHE 21 -1.495 -5.926 1.446 130 HB3 PHE 21 HB1 PHE 21 -2.936 -6.650 0.750 131 HD1 PHE 21 HD1 PHE 21 0.398 -7.250 2.050 132 HD2 PHE 21 HD2 PHE 21 -3.085 -9.007 0.366 133 HE1 PHE 21 HE1 PHE 21 1.183 -9.477 2.776 134 HE2 PHE 21 HE2 PHE 21 -2.316 -11.243 1.085 135 HZ PHE 21 HZ PHE 21 -0.178 -11.476 2.291 136 H GLY 22 HN GLY 22 -0.915 -3.882 -0.109 137 HA2 GLY 22 HA2 GLY 22 -1.714 -2.122 -1.762 138 HA3 GLY 22 HA1 GLY 22 -3.299 -2.821 -1.456 139 H TYR 23 HN TYR 23 -0.533 -1.883 0.569 140 HA TYR 23 HA TYR 23 -2.401 -0.242 2.147 141 HB2 TYR 23 HB2 TYR 23 -1.145 -2.391 3.158 142 HB3 TYR 23 HB1 TYR 23 0.109 -1.188 3.434 143 HD1 TYR 23 HD1 TYR 23 -1.233 1.196 4.262 144 HD2 TYR 23 HD2 TYR 23 -2.257 -2.846 5.119 145 HE1 TYR 23 HE1 TYR 23 -2.411 1.933 6.294 146 HE2 TYR 23 HE2 TYR 23 -3.438 -2.118 7.152 147 HH TYR 23 HH TYR 23 -3.424 -0.217 8.713 148 H CYS 24 HN CYS 24 -2.124 1.753 1.540 149 HA CYS 24 HA CYS 24 0.364 2.800 0.579 150 HB2 CYS 24 HB2 CYS 24 -1.035 4.983 0.617 151 HB3 CYS 24 HB1 CYS 24 -1.498 3.710 -0.498 152 H GLY 25 HN GLY 25 1.786 4.126 1.504 153 HA2 GLY 25 HA2 GLY 25 1.365 5.533 3.944 154 HA3 GLY 25 HA1 GLY 25 2.295 4.066 4.213 155 H SER 26 HN SER 26 3.659 6.072 4.934 156 HA SER 26 HA SER 26 5.736 6.436 2.920 157 HB2 SER 26 HB2 SER 26 4.162 8.387 2.654 158 HB3 SER 26 HB1 SER 26 4.555 8.859 4.302 159 HG SER 26 HG SER 26 6.500 8.507 2.270 160 H THR 27 HN THR 27 4.810 5.761 5.999 161 HA THR 27 HA THR 27 7.471 6.147 7.076 162 HB THR 27 HB THR 27 6.752 8.217 7.818 163 HG1 THR 27 HG1 THR 27 5.755 6.878 10.064 164 HG21 THR 27 HG21 THR 27 4.069 7.158 8.708 165 HG22 THR 27 HG22 THR 27 4.349 7.864 7.116 166 HG23 THR 27 HG23 THR 27 4.581 8.840 8.566 167 HA PRO 28 HA PRO 28 5.038 3.081 9.917 168 HB2 PRO 28 HB2 PRO 28 2.674 2.140 8.520 169 HB3 PRO 28 HB1 PRO 28 2.754 3.061 10.030 170 HG2 PRO 28 HG2 PRO 28 1.698 4.074 7.763 171 HG3 PRO 28 HG1 PRO 28 2.509 5.073 8.985 172 HD2 PRO 28 HD2 PRO 28 3.660 3.950 6.430 173 HD3 PRO 28 HD1 PRO 28 3.739 5.616 7.052 174 HA PRO 29 HA PRO 29 6.360 -0.872 8.097 175 HB2 PRO 29 HB2 PRO 29 3.853 -2.313 8.807 176 HB3 PRO 29 HB1 PRO 29 5.526 -2.662 9.282 177 HG2 PRO 29 HG2 PRO 29 3.847 -1.677 11.042 178 HG3 PRO 29 HG1 PRO 29 5.521 -1.082 10.970 179 HD2 PRO 29 HD2 PRO 29 3.032 0.175 9.872 180 HD3 PRO 29 HD1 PRO 29 4.351 0.919 10.800 181 H TYR 30 HN TYR 30 5.177 0.806 6.288 182 HA TYR 30 HA TYR 30 4.240 -1.035 4.211 183 HB2 TYR 30 HB2 TYR 30 3.040 1.724 4.362 184 HB3 TYR 30 HB1 TYR 30 2.437 0.306 3.520 185 HD1 TYR 30 HD1 TYR 30 1.882 2.413 6.228 186 HD2 TYR 30 HD2 TYR 30 1.813 -1.714 5.200 187 HE1 TYR 30 HE1 TYR 30 0.370 1.968 8.119 188 HE2 TYR 30 HE2 TYR 30 0.303 -2.170 7.087 189 HH TYR 30 HH TYR 30 -0.303 -1.161 9.245 190 H CYS 31 HN CYS 31 5.835 1.829 5.302 191 HA CYS 31 HA CYS 31 7.481 1.910 2.934 192 HB2 CYS 31 HB2 CYS 31 5.530 3.552 2.618 193 HB3 CYS 31 HB1 CYS 31 6.309 4.505 3.876 194 H GLY 32 HN GLY 32 9.031 1.120 4.328 195 HA2 GLY 32 HA2 GLY 32 10.973 2.689 5.298 196 HA3 GLY 32 HA1 GLY 32 9.848 2.655 6.652 197 H ALA 33 HN ALA 33 9.102 0.458 7.301 198 HA ALA 33 HA ALA 33 10.863 -1.766 6.739 199 HB1 ALA 33 HB1 ALA 33 12.092 -0.605 8.532 200 HB2 ALA 33 HB2 ALA 33 11.485 -2.169 9.076 201 HB3 ALA 33 HB3 ALA 33 10.664 -0.686 9.562 202 H GLY 34 HN GLY 34 9.128 -2.854 5.978 203 HA2 GLY 34 HA2 GLY 34 7.564 -4.357 7.734 204 HA3 GLY 34 HA1 GLY 34 6.592 -2.995 7.201 205 H GLN 35 HN GLN 35 5.873 -2.882 5.105 206 HA GLN 35 HA GLN 35 6.474 -5.151 3.334 207 HB2 GLN 35 HB2 GLN 35 3.673 -4.096 3.818 208 HB3 GLN 35 HB1 GLN 35 4.121 -5.444 2.786 209 HG2 GLN 35 HG2 GLN 35 4.962 -6.602 4.862 210 HG3 GLN 35 HG1 GLN 35 4.203 -5.308 5.788 211 HE21 GLN 35 HE21 GLN 35 1.962 -5.163 5.853 212 HE22 GLN 35 HE22 GLN 35 0.940 -6.473 5.382 213 H CYS 36 HN CYS 36 7.795 -2.942 2.869 214 HA CYS 36 HA CYS 36 6.364 -1.042 1.239 215 HB2 CYS 36 HB2 CYS 36 8.271 -0.381 2.657 216 HB3 CYS 36 HB1 CYS 36 9.339 -1.376 1.673 217 H GLN 37 HN GLN 37 5.618 -1.700 -0.700 218 HA GLN 37 HA GLN 37 7.289 -3.349 -2.440 219 HB2 GLN 37 HB2 GLN 37 4.741 -3.671 -1.991 220 HB3 GLN 37 HB1 GLN 37 4.539 -2.340 -3.121 221 HG2 GLN 37 HG2 GLN 37 6.001 -3.760 -4.704 222 HG3 GLN 37 HG1 GLN 37 5.596 -5.092 -3.625 223 HE21 GLN 37 HE21 GLN 37 4.381 -2.795 -5.933 224 HE22 GLN 37 HE22 GLN 37 2.855 -3.561 -6.199 225 H SER 38 HN SER 38 5.432 -0.305 -2.637 226 HA SER 38 HA SER 38 7.006 0.556 -4.950 227 HB2 SER 38 HB2 SER 38 4.495 1.675 -3.675 228 HB3 SER 38 HB1 SER 38 5.309 2.408 -5.057 229 HG SER 38 HG SER 38 4.552 0.886 -6.320 230 H GLN 39 HN GLN 39 8.466 2.161 -4.878 231 HA GLN 39 HA GLN 39 10.037 3.563 -4.018 232 HB2 GLN 39 HB2 GLN 39 7.462 4.741 -3.009 233 HB3 GLN 39 HB1 GLN 39 9.003 5.522 -2.685 234 HG2 GLN 39 HG2 GLN 39 9.428 5.664 -5.094 235 HG3 GLN 39 HG1 GLN 39 7.870 4.900 -5.405 236 HE21 GLN 39 HE21 GLN 39 9.493 7.775 -4.319 237 HE22 GLN 39 HE22 GLN 39 8.128 8.829 -4.417 238 H CYS 40 HN CYS 40 11.440 2.566 -2.709 239 HA CYS 40 HA CYS 40 10.896 2.651 0.180 240 HB2 CYS 40 HB2 CYS 40 12.316 0.362 -1.195 241 HB3 CYS 40 HB1 CYS 40 11.882 0.474 0.508 Start of MODEL 8 1 H1 PHE 1 HT1 PHE 1 -5.952 -0.999 5.549 2 H2 PHE 1 HT2 PHE 1 -7.390 -0.210 5.135 3 H3 PHE 1 HT3 PHE 1 -6.015 0.692 5.528 4 HA PHE 1 HA PHE 1 -4.865 -0.116 3.592 5 HB2 PHE 1 HB2 PHE 1 -7.432 -1.655 3.201 6 HB3 PHE 1 HB1 PHE 1 -6.304 -1.357 1.882 7 HD1 PHE 1 HD1 PHE 1 -4.208 -2.503 1.756 8 HD2 PHE 1 HD2 PHE 1 -6.815 -3.107 5.065 9 HE1 PHE 1 HE1 PHE 1 -2.893 -4.472 2.426 10 HE2 PHE 1 HE2 PHE 1 -5.506 -5.078 5.743 11 HZ PHE 1 HZ PHE 1 -3.542 -5.763 4.422 12 H GLN 2 HN GLN 2 -4.779 1.302 1.949 13 HA GLN 2 HA GLN 2 -7.172 2.856 1.259 14 HB2 GLN 2 HB2 GLN 2 -4.534 3.993 2.182 15 HB3 GLN 2 HB1 GLN 2 -5.697 4.938 1.263 16 HG2 GLN 2 HG2 GLN 2 -7.363 4.591 3.022 17 HG3 GLN 2 HG1 GLN 2 -6.186 3.657 3.944 18 HE21 GLN 2 HE21 GLN 2 -4.459 4.712 4.923 19 HE22 GLN 2 HE22 GLN 2 -4.445 6.422 5.166 20 H CYS 3 HN CYS 3 -4.587 1.064 0.203 21 HA CYS 3 HA CYS 3 -4.034 2.539 -2.236 22 HB2 CYS 3 HB2 CYS 3 -2.278 1.257 -0.983 23 HB3 CYS 3 HB1 CYS 3 -3.098 -0.224 -1.450 24 H GLY 4 HN GLY 4 -4.159 1.458 -4.353 25 HA2 GLY 4 HA2 GLY 4 -6.750 0.688 -5.047 26 HA3 GLY 4 HA1 GLY 4 -5.338 0.514 -6.071 27 H ARG 5 HN ARG 5 -3.983 -1.310 -4.203 28 HA ARG 5 HA ARG 5 -5.408 -3.739 -4.951 29 HB2 ARG 5 HB2 ARG 5 -2.663 -3.002 -4.745 30 HB3 ARG 5 HB1 ARG 5 -2.947 -4.301 -3.595 31 HG2 ARG 5 HG2 ARG 5 -3.839 -5.703 -5.365 32 HG3 ARG 5 HG1 ARG 5 -3.616 -4.395 -6.529 33 HD2 ARG 5 HD2 ARG 5 -1.203 -4.450 -6.120 34 HD3 ARG 5 HD1 ARG 5 -1.429 -5.755 -4.957 35 HE ARG 5 HE ARG 5 -2.560 -6.539 -7.393 36 HH11 ARG 5 HH11 ARG 5 0.631 -5.907 -6.069 37 HH12 ARG 5 HH12 ARG 5 1.423 -7.005 -7.149 38 HH21 ARG 5 HH21 ARG 5 0.215 -8.172 -8.691 39 HH22 ARG 5 HH22 ARG 5 -1.503 -7.971 -8.796 40 H GLN 6 HN GLN 6 -5.519 -5.556 -3.361 41 HA GLN 6 HA GLN 6 -6.243 -6.505 -1.437 42 HB2 GLN 6 HB2 GLN 6 -4.285 -4.806 -0.492 43 HB3 GLN 6 HB1 GLN 6 -5.694 -4.333 0.448 44 HG2 GLN 6 HG2 GLN 6 -4.786 -7.194 0.178 45 HG3 GLN 6 HG1 GLN 6 -4.228 -6.121 1.459 46 HE21 GLN 6 HE21 GLN 6 -6.920 -7.901 0.178 47 HE22 GLN 6 HE22 GLN 6 -7.928 -7.784 1.575 48 H ALA 7 HN ALA 7 -6.964 -3.108 -1.865 49 HA ALA 7 HA ALA 7 -9.502 -3.227 -0.466 50 HB1 ALA 7 HB1 ALA 7 -8.191 -0.975 -1.990 51 HB2 ALA 7 HB2 ALA 7 -8.075 -1.244 -0.250 52 HB3 ALA 7 HB3 ALA 7 -9.629 -0.838 -0.977 53 H GLY 8 HN GLY 8 -8.240 -3.233 -3.702 54 HA2 GLY 8 HA2 GLY 8 -9.553 -4.334 -5.436 55 HA3 GLY 8 HA1 GLY 8 -10.974 -3.550 -4.767 56 H GLY 9 HN GLY 9 -9.666 -0.960 -4.440 57 HA2 GLY 9 HA2 GLY 9 -8.592 0.035 -6.822 58 HA3 GLY 9 HA1 GLY 9 -10.337 0.179 -6.941 59 H ALA 10 HN ALA 10 -8.184 0.628 -4.131 60 HA ALA 10 HA ALA 10 -9.443 3.207 -3.609 61 HB1 ALA 10 HB1 ALA 10 -7.466 1.641 -1.952 62 HB2 ALA 10 HB2 ALA 10 -9.220 1.593 -1.781 63 HB3 ALA 10 HB3 ALA 10 -8.341 3.083 -1.438 64 H ARG 11 HN ARG 11 -7.768 4.883 -2.563 65 HA ARG 11 HA ARG 11 -5.325 5.041 -4.178 66 HB2 ARG 11 HB2 ARG 11 -7.515 7.109 -4.100 67 HB3 ARG 11 HB1 ARG 11 -5.859 7.535 -4.511 68 HG2 ARG 11 HG2 ARG 11 -5.926 5.942 -6.378 69 HG3 ARG 11 HG1 ARG 11 -7.600 5.561 -5.976 70 HD2 ARG 11 HD2 ARG 11 -7.717 7.126 -7.731 71 HD3 ARG 11 HD1 ARG 11 -8.080 8.037 -6.267 72 HE ARG 11 HE ARG 11 -5.362 8.291 -6.661 73 HH11 ARG 11 HH11 ARG 11 -8.245 9.141 -8.479 74 HH12 ARG 11 HH12 ARG 11 -7.494 10.492 -9.258 75 HH21 ARG 11 HH21 ARG 11 -4.400 10.065 -7.694 76 HH22 ARG 11 HH22 ARG 11 -5.319 11.014 -8.814 77 H CYS 12 HN CYS 12 -3.623 5.666 -3.081 78 HA CYS 12 HA CYS 12 -3.531 5.967 -0.338 79 HB2 CYS 12 HB2 CYS 12 -1.460 7.167 -2.147 80 HB3 CYS 12 HB1 CYS 12 -1.235 6.302 -0.633 81 H SER 13 HN SER 13 -2.177 7.887 0.687 82 HA SER 13 HA SER 13 -3.923 10.139 0.807 83 HB2 SER 13 HB2 SER 13 -2.575 9.181 2.760 84 HB3 SER 13 HB1 SER 13 -1.160 9.954 2.044 85 HG SER 13 HG SER 13 -1.858 11.524 3.304 86 H ASN 14 HN ASN 14 -0.560 9.774 -0.150 87 HA ASN 14 HA ASN 14 -0.821 11.911 -2.134 88 HB2 ASN 14 HB2 ASN 14 1.283 11.796 0.044 89 HB3 ASN 14 HB1 ASN 14 1.462 12.774 -1.408 90 HD21 ASN 14 HD21 ASN 14 0.156 14.580 -1.694 91 HD22 ASN 14 HD22 ASN 14 -0.722 15.293 -0.388 92 H GLY 15 HN GLY 15 1.706 11.957 -3.168 93 HA2 GLY 15 HA2 GLY 15 1.886 9.408 -4.492 94 HA3 GLY 15 HA1 GLY 15 2.926 10.801 -4.764 95 H LEU 16 HN LEU 16 2.210 8.415 -2.248 96 HA LEU 16 HA LEU 16 5.000 8.470 -1.380 97 HB2 LEU 16 HB2 LEU 16 3.939 7.060 0.576 98 HB3 LEU 16 HB1 LEU 16 3.780 8.800 0.522 99 HG LEU 16 HG LEU 16 1.495 8.194 -0.696 100 HD11 LEU 16 HD11 LEU 16 1.482 5.889 -0.770 101 HD12 LEU 16 HD12 LEU 16 0.534 6.245 0.674 102 HD13 LEU 16 HD13 LEU 16 2.208 5.732 0.829 103 HD21 LEU 16 HD21 LEU 16 1.694 9.556 1.276 104 HD22 LEU 16 HD22 LEU 16 1.963 8.124 2.269 105 HD23 LEU 16 HD23 LEU 16 0.404 8.375 1.489 106 H CYS 17 HN CYS 17 3.572 5.622 -0.331 107 HA CYS 17 HA CYS 17 4.593 4.007 -2.561 108 HB2 CYS 17 HB2 CYS 17 5.325 2.872 0.019 109 HB3 CYS 17 HB1 CYS 17 6.337 3.165 -1.387 110 H CYS 18 HN CYS 18 3.900 1.710 -2.409 111 HA CYS 18 HA CYS 18 1.599 1.249 -0.664 112 HB2 CYS 18 HB2 CYS 18 0.501 2.053 -2.615 113 HB3 CYS 18 HB1 CYS 18 1.538 1.113 -3.679 114 H SER 19 HN SER 19 1.500 -0.657 0.181 115 HA SER 19 HA SER 19 3.630 -2.499 -0.036 116 HB2 SER 19 HB2 SER 19 0.974 -2.614 1.386 117 HB3 SER 19 HB1 SER 19 2.189 -3.883 1.513 118 HG SER 19 HG SER 19 2.604 -1.149 2.155 119 H GLN 20 HN GLN 20 3.561 -4.713 -0.486 120 HA GLN 20 HA GLN 20 2.899 -5.481 -2.988 121 HB2 GLN 20 HB2 GLN 20 3.329 -7.093 -0.510 122 HB3 GLN 20 HB1 GLN 20 3.027 -7.874 -2.056 123 HG2 GLN 20 HG2 GLN 20 4.984 -6.758 -3.002 124 HG3 GLN 20 HG1 GLN 20 5.285 -5.975 -1.451 125 HE21 GLN 20 HE21 GLN 20 5.372 -8.960 -3.224 126 HE22 GLN 20 HE22 GLN 20 6.330 -9.844 -2.089 127 H PHE 21 HN PHE 21 0.796 -5.803 -0.220 128 HA PHE 21 HA PHE 21 -1.188 -7.288 -1.731 129 HB2 PHE 21 HB2 PHE 21 -1.069 -6.320 1.114 130 HB3 PHE 21 HB1 PHE 21 -2.521 -7.034 0.428 131 HD1 PHE 21 HD1 PHE 21 -2.630 -9.362 -0.122 132 HD2 PHE 21 HD2 PHE 21 0.882 -7.638 1.538 133 HE1 PHE 21 HE1 PHE 21 -1.777 -11.621 0.399 134 HE2 PHE 21 HE2 PHE 21 1.751 -9.890 2.064 135 HZ PHE 21 HZ PHE 21 0.417 -11.884 1.492 136 H GLY 22 HN GLY 22 -0.663 -4.086 -0.508 137 HA2 GLY 22 HA2 GLY 22 -1.729 -2.379 -2.068 138 HA3 GLY 22 HA1 GLY 22 -3.229 -3.182 -1.632 139 H TYR 23 HN TYR 23 -0.406 -2.256 0.323 140 HA TYR 23 HA TYR 23 -2.216 -0.580 1.940 141 HB2 TYR 23 HB2 TYR 23 -0.897 -2.807 2.865 142 HB3 TYR 23 HB1 TYR 23 0.216 -1.517 3.307 143 HD1 TYR 23 HD1 TYR 23 -1.661 -3.457 4.982 144 HD2 TYR 23 HD2 TYR 23 -1.850 0.656 3.895 145 HE1 TYR 23 HE1 TYR 23 -3.059 -3.005 6.955 146 HE2 TYR 23 HE2 TYR 23 -3.250 1.116 5.865 147 HH TYR 23 HH TYR 23 -4.757 -0.099 7.380 148 H CYS 24 HN CYS 24 -1.840 1.433 1.371 149 HA CYS 24 HA CYS 24 0.803 2.315 0.605 150 HB2 CYS 24 HB2 CYS 24 -1.857 3.140 0.054 151 HB3 CYS 24 HB1 CYS 24 -0.975 4.497 0.741 152 H GLY 25 HN GLY 25 2.027 3.833 1.528 153 HA2 GLY 25 HA2 GLY 25 1.291 5.295 3.853 154 HA3 GLY 25 HA1 GLY 25 2.284 3.905 4.265 155 H SER 26 HN SER 26 3.320 6.109 4.983 156 HA SER 26 HA SER 26 5.653 6.504 3.274 157 HB2 SER 26 HB2 SER 26 5.464 9.028 3.525 158 HB3 SER 26 HB1 SER 26 4.263 8.314 2.457 159 HG SER 26 HG SER 26 3.449 9.870 4.022 160 H THR 27 HN THR 27 4.396 5.740 6.094 161 HA THR 27 HA THR 27 6.667 6.559 7.671 162 HB THR 27 HB THR 27 5.593 8.475 8.307 163 HG1 THR 27 HG1 THR 27 4.016 6.989 10.076 164 HG21 THR 27 HG21 THR 27 2.834 7.278 8.361 165 HG22 THR 27 HG22 THR 27 3.551 7.838 6.850 166 HG23 THR 27 HG23 THR 27 3.309 8.967 8.181 167 HA PRO 28 HA PRO 28 4.251 3.178 10.060 168 HB2 PRO 28 HB2 PRO 28 2.015 2.142 8.581 169 HB3 PRO 28 HB1 PRO 28 1.964 3.198 10.002 170 HG2 PRO 28 HG2 PRO 28 1.086 3.964 7.539 171 HG3 PRO 28 HG1 PRO 28 1.704 5.091 8.762 172 HD2 PRO 28 HD2 PRO 28 3.205 3.826 6.463 173 HD3 PRO 28 HD1 PRO 28 3.119 5.546 6.925 174 HA PRO 29 HA PRO 29 5.845 -0.681 8.307 175 HB2 PRO 29 HB2 PRO 29 3.439 -2.259 9.054 176 HB3 PRO 29 HB1 PRO 29 5.126 -2.471 9.559 177 HG2 PRO 29 HG2 PRO 29 3.349 -1.542 11.260 178 HG3 PRO 29 HG1 PRO 29 4.984 -0.848 11.195 179 HD2 PRO 29 HD2 PRO 29 2.446 0.215 10.012 180 HD3 PRO 29 HD1 PRO 29 3.696 1.069 10.940 181 H TYR 30 HN TYR 30 4.705 0.817 6.381 182 HA TYR 30 HA TYR 30 3.772 -1.160 4.426 183 HB2 TYR 30 HB2 TYR 30 2.612 1.614 4.318 184 HB3 TYR 30 HB1 TYR 30 1.997 0.136 3.603 185 HD1 TYR 30 HD1 TYR 30 1.507 -1.708 5.671 186 HD2 TYR 30 HD2 TYR 30 1.182 2.529 5.859 187 HE1 TYR 30 HE1 TYR 30 -0.090 -1.924 7.525 188 HE2 TYR 30 HE2 TYR 30 -0.417 2.319 7.723 189 HH TYR 30 HH TYR 30 -1.980 0.660 8.633 190 H CYS 31 HN CYS 31 5.263 1.842 5.304 191 HA CYS 31 HA CYS 31 7.130 1.656 3.158 192 HB2 CYS 31 HB2 CYS 31 5.282 3.071 2.176 193 HB3 CYS 31 HB1 CYS 31 5.679 4.279 3.395 194 H GLY 32 HN GLY 32 8.588 1.281 4.626 195 HA2 GLY 32 HA2 GLY 32 10.244 3.139 5.661 196 HA3 GLY 32 HA1 GLY 32 9.030 2.964 6.928 197 H ALA 33 HN ALA 33 8.392 0.386 6.852 198 HA ALA 33 HA ALA 33 10.419 -1.531 6.610 199 HB1 ALA 33 HB1 ALA 33 9.970 -0.621 9.469 200 HB2 ALA 33 HB2 ALA 33 11.449 -0.380 8.541 201 HB3 ALA 33 HB3 ALA 33 10.930 -2.012 8.963 202 H GLY 34 HN GLY 34 8.907 -2.811 5.755 203 HA2 GLY 34 HA2 GLY 34 7.277 -4.389 7.409 204 HA3 GLY 34 HA1 GLY 34 6.277 -3.151 6.662 205 H GLN 35 HN GLN 35 5.908 -3.179 4.469 206 HA GLN 35 HA GLN 35 6.992 -5.357 2.864 207 HB2 GLN 35 HB2 GLN 35 4.514 -5.743 2.048 208 HB3 GLN 35 HB1 GLN 35 5.125 -6.574 3.468 209 HG2 GLN 35 HG2 GLN 35 4.063 -4.816 4.877 210 HG3 GLN 35 HG1 GLN 35 3.348 -4.141 3.417 211 HE21 GLN 35 HE21 GLN 35 1.728 -5.303 2.342 212 HE22 GLN 35 HE22 GLN 35 0.860 -6.580 3.113 213 H CYS 36 HN CYS 36 7.913 -3.040 2.397 214 HA CYS 36 HA CYS 36 6.366 -1.315 0.718 215 HB2 CYS 36 HB2 CYS 36 8.672 -0.324 0.219 216 HB3 CYS 36 HB1 CYS 36 8.125 -0.286 1.891 217 H GLN 37 HN GLN 37 5.800 -1.641 -1.343 218 HA GLN 37 HA GLN 37 7.432 -3.394 -3.031 219 HB2 GLN 37 HB2 GLN 37 4.893 -3.693 -2.700 220 HB3 GLN 37 HB1 GLN 37 4.721 -2.282 -3.733 221 HG2 GLN 37 HG2 GLN 37 6.065 -3.509 -5.460 222 HG3 GLN 37 HG1 GLN 37 5.927 -4.940 -4.442 223 HE21 GLN 37 HE21 GLN 37 3.989 -6.016 -4.318 224 HE22 GLN 37 HE22 GLN 37 2.651 -5.673 -5.355 225 H SER 38 HN SER 38 5.829 -0.205 -3.105 226 HA SER 38 HA SER 38 7.131 0.565 -5.556 227 HB2 SER 38 HB2 SER 38 5.315 2.080 -3.677 228 HB3 SER 38 HB1 SER 38 5.945 2.747 -5.184 229 HG SER 38 HG SER 38 4.956 0.796 -6.172 230 H GLN 39 HN GLN 39 7.159 1.862 -2.268 231 HA GLN 39 HA GLN 39 9.976 2.590 -2.562 232 HB2 GLN 39 HB2 GLN 39 7.785 4.488 -2.505 233 HB3 GLN 39 HB1 GLN 39 8.858 4.736 -1.136 234 HG2 GLN 39 HG2 GLN 39 9.928 4.492 -3.923 235 HG3 GLN 39 HG1 GLN 39 9.310 6.024 -3.308 236 HE21 GLN 39 HE21 GLN 39 10.420 7.081 -1.659 237 HE22 GLN 39 HE22 GLN 39 12.053 6.689 -1.254 238 H CYS 40 HN CYS 40 11.100 2.844 -0.586 239 HA CYS 40 HA CYS 40 9.669 1.889 1.803 240 HB2 CYS 40 HB2 CYS 40 11.435 0.340 0.424 241 HB3 CYS 40 HB1 CYS 40 12.509 1.115 1.584 Start of MODEL 9 1 H1 PHE 1 HT1 PHE 1 -6.214 -2.487 0.382 2 H2 PHE 1 HT2 PHE 1 -5.554 -3.378 1.659 3 H3 PHE 1 HT3 PHE 1 -4.872 -1.893 1.224 4 HA PHE 1 HA PHE 1 -7.571 -2.297 2.354 5 HB2 PHE 1 HB2 PHE 1 -5.115 -1.012 3.569 6 HB3 PHE 1 HB1 PHE 1 -6.695 -1.134 4.332 7 HD1 PHE 1 HD1 PHE 1 -3.655 -2.925 3.395 8 HD2 PHE 1 HD2 PHE 1 -7.484 -3.233 5.223 9 HE1 PHE 1 HE1 PHE 1 -3.015 -5.096 4.365 10 HE2 PHE 1 HE2 PHE 1 -6.852 -5.404 6.199 11 HZ PHE 1 HZ PHE 1 -4.613 -6.338 5.768 12 H GLN 2 HN GLN 2 -5.187 -0.138 1.003 13 HA GLN 2 HA GLN 2 -7.287 1.854 0.519 14 HB2 GLN 2 HB2 GLN 2 -4.615 2.376 1.808 15 HB3 GLN 2 HB1 GLN 2 -5.537 3.651 1.025 16 HG2 GLN 2 HG2 GLN 2 -7.393 3.255 2.560 17 HG3 GLN 2 HG1 GLN 2 -6.474 1.970 3.341 18 HE21 GLN 2 HE21 GLN 2 -4.709 2.502 4.632 19 HE22 GLN 2 HE22 GLN 2 -4.460 4.103 5.232 20 H CYS 3 HN CYS 3 -4.859 -0.032 -0.835 21 HA CYS 3 HA CYS 3 -5.000 1.421 -3.331 22 HB2 CYS 3 HB2 CYS 3 -2.550 1.720 -3.596 23 HB3 CYS 3 HB1 CYS 3 -3.164 2.647 -2.230 24 H GLY 4 HN GLY 4 -5.119 -0.003 -4.929 25 HA2 GLY 4 HA2 GLY 4 -4.246 -1.726 -6.295 26 HA3 GLY 4 HA1 GLY 4 -3.385 -2.363 -4.907 27 H ARG 5 HN ARG 5 -4.036 -4.446 -5.102 28 HA ARG 5 HA ARG 5 -6.866 -5.063 -5.281 29 HB2 ARG 5 HB2 ARG 5 -5.039 -6.297 -6.574 30 HB3 ARG 5 HB1 ARG 5 -4.616 -7.063 -5.049 31 HG2 ARG 5 HG2 ARG 5 -6.921 -7.929 -4.885 32 HG3 ARG 5 HG1 ARG 5 -7.262 -7.237 -6.472 33 HD2 ARG 5 HD2 ARG 5 -5.442 -8.616 -7.419 34 HD3 ARG 5 HD1 ARG 5 -5.206 -9.348 -5.832 35 HE ARG 5 HE ARG 5 -7.879 -9.690 -6.482 36 HH11 ARG 5 HH11 ARG 5 -4.790 -10.752 -7.773 37 HH12 ARG 5 HH12 ARG 5 -5.438 -12.220 -8.426 38 HH21 ARG 5 HH21 ARG 5 -7.653 -12.708 -8.182 39 HH22 ARG 5 HH22 ARG 5 -8.705 -11.617 -7.343 40 H GLN 6 HN GLN 6 -7.823 -4.657 -3.505 41 HA GLN 6 HA GLN 6 -7.822 -6.402 -1.290 42 HB2 GLN 6 HB2 GLN 6 -6.369 -3.817 -0.991 43 HB3 GLN 6 HB1 GLN 6 -7.498 -4.233 0.289 44 HG2 GLN 6 HG2 GLN 6 -5.439 -6.209 -0.619 45 HG3 GLN 6 HG1 GLN 6 -5.017 -4.929 0.516 46 HE21 GLN 6 HE21 GLN 6 -6.856 -7.834 0.019 47 HE22 GLN 6 HE22 GLN 6 -7.239 -8.121 1.678 48 H ALA 7 HN ALA 7 -8.533 -3.412 -2.828 49 HA ALA 7 HA ALA 7 -11.301 -3.382 -1.833 50 HB1 ALA 7 HB1 ALA 7 -9.566 -1.072 -2.713 51 HB2 ALA 7 HB2 ALA 7 -9.998 -1.461 -1.048 52 HB3 ALA 7 HB3 ALA 7 -11.246 -0.955 -2.187 53 H GLY 8 HN GLY 8 -9.135 -3.485 -4.493 54 HA2 GLY 8 HA2 GLY 8 -9.912 -4.365 -6.615 55 HA3 GLY 8 HA1 GLY 8 -11.388 -3.436 -6.400 56 H GLY 9 HN GLY 9 -10.011 -1.058 -5.487 57 HA2 GLY 9 HA2 GLY 9 -8.099 -0.089 -7.283 58 HA3 GLY 9 HA1 GLY 9 -9.683 0.286 -7.946 59 H ALA 10 HN ALA 10 -7.357 1.009 -5.473 60 HA ALA 10 HA ALA 10 -8.968 3.342 -4.672 61 HB1 ALA 10 HB1 ALA 10 -9.107 1.627 -2.926 62 HB2 ALA 10 HB2 ALA 10 -8.249 3.060 -2.358 63 HB3 ALA 10 HB3 ALA 10 -7.347 1.610 -2.802 64 H ARG 11 HN ARG 11 -7.270 4.698 -3.069 65 HA ARG 11 HA ARG 11 -4.701 4.962 -4.460 66 HB2 ARG 11 HB2 ARG 11 -6.737 7.163 -4.101 67 HB3 ARG 11 HB1 ARG 11 -5.036 7.495 -4.397 68 HG2 ARG 11 HG2 ARG 11 -5.177 6.257 -6.516 69 HG3 ARG 11 HG1 ARG 11 -6.894 5.980 -6.222 70 HD2 ARG 11 HD2 ARG 11 -6.802 7.827 -7.676 71 HD3 ARG 11 HD1 ARG 11 -7.127 8.506 -6.082 72 HE ARG 11 HE ARG 11 -4.393 8.565 -6.354 73 HH11 ARG 11 HH11 ARG 11 -7.086 9.940 -8.141 74 HH12 ARG 11 HH12 ARG 11 -6.176 11.311 -8.680 75 HH21 ARG 11 HH21 ARG 11 -3.222 10.367 -7.074 76 HH22 ARG 11 HH22 ARG 11 -3.991 11.551 -8.077 77 H CYS 12 HN CYS 12 -3.095 6.173 -3.273 78 HA CYS 12 HA CYS 12 -3.233 5.661 -0.457 79 HB2 CYS 12 HB2 CYS 12 -1.095 6.677 -2.306 80 HB3 CYS 12 HB1 CYS 12 -0.855 6.641 -0.564 81 H SER 13 HN SER 13 -1.789 7.554 0.833 82 HA SER 13 HA SER 13 -3.713 9.663 1.183 83 HB2 SER 13 HB2 SER 13 -2.304 8.449 3.029 84 HB3 SER 13 HB1 SER 13 -1.050 9.608 2.590 85 HG SER 13 HG SER 13 -3.267 10.988 2.848 86 H ASN 14 HN ASN 14 -0.294 9.565 0.359 87 HA ASN 14 HA ASN 14 -0.568 11.991 -1.260 88 HB2 ASN 14 HB2 ASN 14 1.448 11.594 0.967 89 HB3 ASN 14 HB1 ASN 14 1.650 12.800 -0.299 90 HD21 ASN 14 HD21 ASN 14 -0.171 11.855 2.501 91 HD22 ASN 14 HD22 ASN 14 -0.957 13.372 2.755 92 H GLY 15 HN GLY 15 2.055 12.292 -2.072 93 HA2 GLY 15 HA2 GLY 15 2.368 10.064 -3.868 94 HA3 GLY 15 HA1 GLY 15 3.382 11.499 -3.796 95 H LEU 16 HN LEU 16 2.577 8.766 -1.693 96 HA LEU 16 HA LEU 16 5.392 8.549 -0.900 97 HB2 LEU 16 HB2 LEU 16 4.235 7.042 0.954 98 HB3 LEU 16 HB1 LEU 16 4.291 8.782 1.089 99 HG LEU 16 HG LEU 16 1.922 8.633 -0.067 100 HD11 LEU 16 HD11 LEU 16 2.323 5.897 1.064 101 HD12 LEU 16 HD12 LEU 16 1.665 6.370 -0.504 102 HD13 LEU 16 HD13 LEU 16 0.731 6.640 0.966 103 HD21 LEU 16 HD21 LEU 16 2.462 9.550 2.166 104 HD22 LEU 16 HD22 LEU 16 2.266 7.924 2.827 105 HD23 LEU 16 HD23 LEU 16 0.901 8.741 2.077 106 H CYS 17 HN CYS 17 3.726 5.740 -0.057 107 HA CYS 17 HA CYS 17 4.418 4.322 -2.525 108 HB2 CYS 17 HB2 CYS 17 5.661 2.595 -1.287 109 HB3 CYS 17 HB1 CYS 17 6.394 4.173 -1.020 110 H CYS 18 HN CYS 18 3.772 1.898 -2.234 111 HA CYS 18 HA CYS 18 1.314 1.584 -0.678 112 HB2 CYS 18 HB2 CYS 18 0.510 2.307 -2.838 113 HB3 CYS 18 HB1 CYS 18 1.568 1.176 -3.670 114 H SER 19 HN SER 19 1.462 -0.212 0.453 115 HA SER 19 HA SER 19 3.528 -2.141 -0.025 116 HB2 SER 19 HB2 SER 19 1.423 -1.806 2.076 117 HB3 SER 19 HB1 SER 19 2.430 -3.250 2.022 118 HG SER 19 HG SER 19 4.087 -1.264 1.793 119 H GLN 20 HN GLN 20 3.200 -4.419 0.013 120 HA GLN 20 HA GLN 20 2.078 -5.508 -2.152 121 HB2 GLN 20 HB2 GLN 20 2.600 -6.781 0.505 122 HB3 GLN 20 HB1 GLN 20 2.127 -7.712 -0.908 123 HG2 GLN 20 HG2 GLN 20 4.109 -6.981 -2.092 124 HG3 GLN 20 HG1 GLN 20 4.568 -5.957 -0.733 125 HE21 GLN 20 HE21 GLN 20 4.322 -9.210 -1.923 126 HE22 GLN 20 HE22 GLN 20 5.285 -9.950 -0.694 127 H PHE 21 HN PHE 21 0.279 -5.123 0.848 128 HA PHE 21 HA PHE 21 -2.022 -6.249 -0.591 129 HB2 PHE 21 HB2 PHE 21 -0.918 -7.053 1.917 130 HB3 PHE 21 HB1 PHE 21 -2.570 -6.487 2.158 131 HD1 PHE 21 HD1 PHE 21 -4.442 -7.616 1.119 132 HD2 PHE 21 HD2 PHE 21 -0.453 -8.983 0.545 133 HE1 PHE 21 HE1 PHE 21 -5.304 -9.754 0.252 134 HE2 PHE 21 HE2 PHE 21 -1.306 -11.125 -0.322 135 HZ PHE 21 HZ PHE 21 -3.735 -11.511 -0.472 136 H GLY 22 HN GLY 22 -1.368 -3.512 -0.666 137 HA2 GLY 22 HA2 GLY 22 -2.689 -1.631 -0.868 138 HA3 GLY 22 HA1 GLY 22 -3.980 -2.488 -0.051 139 H TYR 23 HN TYR 23 -0.690 -1.719 1.013 140 HA TYR 23 HA TYR 23 -1.915 -0.171 3.184 141 HB2 TYR 23 HB2 TYR 23 -0.111 -2.398 3.335 142 HB3 TYR 23 HB1 TYR 23 0.653 -0.973 4.037 143 HD1 TYR 23 HD1 TYR 23 -0.836 -3.759 5.003 144 HD2 TYR 23 HD2 TYR 23 -1.479 0.431 5.371 145 HE1 TYR 23 HE1 TYR 23 -2.109 -4.143 7.080 146 HE2 TYR 23 HE2 TYR 23 -2.757 0.060 7.448 147 HH TYR 23 HH TYR 23 -2.749 -2.904 9.103 148 H CYS 24 HN CYS 24 -1.752 1.818 2.565 149 HA CYS 24 HA CYS 24 0.589 2.894 1.257 150 HB2 CYS 24 HB2 CYS 24 -1.952 4.196 2.238 151 HB3 CYS 24 HB1 CYS 24 -0.699 5.010 1.312 152 H GLY 25 HN GLY 25 1.978 4.444 2.111 153 HA2 GLY 25 HA2 GLY 25 1.665 5.581 4.673 154 HA3 GLY 25 HA1 GLY 25 2.678 4.155 4.792 155 H SER 26 HN SER 26 3.696 6.349 5.602 156 HA SER 26 HA SER 26 5.948 6.861 3.851 157 HB2 SER 26 HB2 SER 26 4.284 8.631 3.204 158 HB3 SER 26 HB1 SER 26 4.295 9.199 4.868 159 HG SER 26 HG SER 26 6.387 9.837 4.634 160 H THR 27 HN THR 27 4.838 5.877 6.586 161 HA THR 27 HA THR 27 6.995 6.899 8.228 162 HB THR 27 HB THR 27 5.662 8.464 9.169 163 HG1 THR 27 HG1 THR 27 4.047 6.734 10.561 164 HG21 THR 27 HG21 THR 27 3.801 7.717 7.426 165 HG22 THR 27 HG22 THR 27 3.422 8.799 8.765 166 HG23 THR 27 HG23 THR 27 3.028 7.085 8.881 167 HA PRO 28 HA PRO 28 5.354 2.904 10.284 168 HB2 PRO 28 HB2 PRO 28 3.081 1.761 8.953 169 HB3 PRO 28 HB1 PRO 28 3.084 2.670 10.475 170 HG2 PRO 28 HG2 PRO 28 1.843 3.554 8.216 171 HG3 PRO 28 HG1 PRO 28 2.485 4.629 9.471 172 HD2 PRO 28 HD2 PRO 28 3.843 3.732 6.920 173 HD3 PRO 28 HD1 PRO 28 3.609 5.393 7.525 174 HA PRO 29 HA PRO 29 7.122 -0.583 7.954 175 HB2 PRO 29 HB2 PRO 29 4.884 -2.407 8.694 176 HB3 PRO 29 HB1 PRO 29 6.626 -2.586 8.979 177 HG2 PRO 29 HG2 PRO 29 5.039 -2.005 10.980 178 HG3 PRO 29 HG1 PRO 29 6.608 -1.185 10.819 179 HD2 PRO 29 HD2 PRO 29 3.880 -0.175 10.111 180 HD3 PRO 29 HD1 PRO 29 5.197 0.650 10.973 181 H TYR 30 HN TYR 30 5.735 1.042 6.325 182 HA TYR 30 HA TYR 30 4.734 -0.740 4.219 183 HB2 TYR 30 HB2 TYR 30 3.425 1.946 4.636 184 HB3 TYR 30 HB1 TYR 30 2.846 0.580 3.700 185 HD1 TYR 30 HD1 TYR 30 2.713 -1.636 5.496 186 HD2 TYR 30 HD2 TYR 30 1.962 2.467 6.325 187 HE1 TYR 30 HE1 TYR 30 1.276 -2.293 7.381 188 HE2 TYR 30 HE2 TYR 30 0.521 1.816 8.218 189 HH TYR 30 HH TYR 30 0.449 -1.324 9.484 190 H CYS 31 HN CYS 31 6.145 2.251 5.326 191 HA CYS 31 HA CYS 31 7.469 2.606 2.755 192 HB2 CYS 31 HB2 CYS 31 5.662 4.438 3.944 193 HB3 CYS 31 HB1 CYS 31 7.279 5.138 3.960 194 H GLY 32 HN GLY 32 7.651 2.518 6.126 195 HA2 GLY 32 HA2 GLY 32 10.503 3.172 5.914 196 HA3 GLY 32 HA1 GLY 32 9.529 3.611 7.311 197 H ALA 33 HN ALA 33 10.678 0.865 5.418 198 HA ALA 33 HA ALA 33 11.321 -1.247 5.910 199 HB1 ALA 33 HB1 ALA 33 12.202 -1.789 8.110 200 HB2 ALA 33 HB2 ALA 33 11.472 -0.332 8.786 201 HB3 ALA 33 HB3 ALA 33 12.772 -0.197 7.602 202 H GLY 34 HN GLY 34 9.712 -2.561 5.423 203 HA2 GLY 34 HA2 GLY 34 8.238 -3.924 7.351 204 HA3 GLY 34 HA1 GLY 34 7.211 -2.634 6.745 205 H GLN 35 HN GLN 35 6.248 -2.821 4.788 206 HA GLN 35 HA GLN 35 6.894 -5.177 3.144 207 HB2 GLN 35 HB2 GLN 35 4.054 -4.310 3.724 208 HB3 GLN 35 HB1 GLN 35 4.579 -5.770 2.904 209 HG2 GLN 35 HG2 GLN 35 5.652 -6.449 5.100 210 HG3 GLN 35 HG1 GLN 35 4.766 -5.111 5.829 211 HE21 GLN 35 HE21 GLN 35 4.517 -8.234 4.323 212 HE22 GLN 35 HE22 GLN 35 2.879 -8.549 4.776 213 H CYS 36 HN CYS 36 7.823 -2.644 2.565 214 HA CYS 36 HA CYS 36 6.107 -1.138 0.863 215 HB2 CYS 36 HB2 CYS 36 8.268 -0.017 0.172 216 HB3 CYS 36 HB1 CYS 36 7.903 0.018 1.893 217 H GLN 37 HN GLN 37 5.347 -1.793 -1.024 218 HA GLN 37 HA GLN 37 6.907 -3.569 -2.739 219 HB2 GLN 37 HB2 GLN 37 4.442 -3.942 -2.135 220 HB3 GLN 37 HB1 GLN 37 4.088 -2.600 -3.213 221 HG2 GLN 37 HG2 GLN 37 5.303 -3.896 -5.009 222 HG3 GLN 37 HG1 GLN 37 5.274 -5.268 -3.904 223 HE21 GLN 37 HE21 GLN 37 3.324 -6.283 -3.458 224 HE22 GLN 37 HE22 GLN 37 1.904 -6.018 -4.402 225 H SER 38 HN SER 38 5.230 -0.429 -2.888 226 HA SER 38 HA SER 38 6.068 0.180 -5.545 227 HB2 SER 38 HB2 SER 38 4.905 1.983 -3.416 228 HB3 SER 38 HB1 SER 38 5.089 2.410 -5.115 229 HG SER 38 HG SER 38 3.612 0.827 -5.653 230 H GLN 39 HN GLN 39 6.889 1.740 -2.476 231 HA GLN 39 HA GLN 39 9.647 2.104 -3.349 232 HB2 GLN 39 HB2 GLN 39 7.724 4.340 -2.801 233 HB3 GLN 39 HB1 GLN 39 9.430 4.550 -2.433 234 HG2 GLN 39 HG2 GLN 39 9.988 4.056 -4.761 235 HG3 GLN 39 HG1 GLN 39 8.275 3.853 -5.123 236 HE21 GLN 39 HE21 GLN 39 6.937 5.657 -5.186 237 HE22 GLN 39 HE22 GLN 39 7.563 7.264 -5.296 238 H CYS 40 HN CYS 40 11.125 2.303 -1.691 239 HA CYS 40 HA CYS 40 10.060 1.886 1.024 240 HB2 CYS 40 HB2 CYS 40 12.682 0.884 -0.108 241 HB3 CYS 40 HB1 CYS 40 12.059 0.567 1.507 Start of MODEL 10 1 H1 PHE 1 HT1 PHE 1 -6.382 -0.579 4.919 2 H2 PHE 1 HT2 PHE 1 -5.709 0.912 5.345 3 H3 PHE 1 HT3 PHE 1 -4.811 -0.507 5.544 4 HA PHE 1 HA PHE 1 -4.073 0.743 3.623 5 HB2 PHE 1 HB2 PHE 1 -4.430 -1.136 1.895 6 HB3 PHE 1 HB1 PHE 1 -3.669 -1.593 3.414 7 HD1 PHE 1 HD1 PHE 1 -4.748 -3.055 4.940 8 HD2 PHE 1 HD2 PHE 1 -6.704 -1.796 1.384 9 HE1 PHE 1 HE1 PHE 1 -6.464 -4.793 5.281 10 HE2 PHE 1 HE2 PHE 1 -8.429 -3.530 1.711 11 HZ PHE 1 HZ PHE 1 -8.309 -5.030 3.662 12 H GLN 2 HN GLN 2 -4.461 1.488 1.503 13 HA GLN 2 HA GLN 2 -7.216 1.787 0.594 14 HB2 GLN 2 HB2 GLN 2 -5.458 4.064 1.482 15 HB3 GLN 2 HB1 GLN 2 -6.703 4.315 0.268 16 HG2 GLN 2 HG2 GLN 2 -8.398 3.537 1.856 17 HG3 GLN 2 HG1 GLN 2 -7.141 3.307 3.071 18 HE21 GLN 2 HE21 GLN 2 -6.177 5.102 4.020 19 HE22 GLN 2 HE22 GLN 2 -6.878 6.679 3.926 20 H CYS 3 HN CYS 3 -4.944 0.346 -0.421 21 HA CYS 3 HA CYS 3 -4.774 1.504 -3.092 22 HB2 CYS 3 HB2 CYS 3 -2.808 2.448 -2.061 23 HB3 CYS 3 HB1 CYS 3 -2.360 0.898 -1.366 24 H GLY 4 HN GLY 4 -3.813 -0.017 -4.668 25 HA2 GLY 4 HA2 GLY 4 -3.515 -2.059 -5.659 26 HA3 GLY 4 HA1 GLY 4 -3.241 -2.722 -4.064 27 H ARG 5 HN ARG 5 -4.264 -4.608 -4.572 28 HA ARG 5 HA ARG 5 -7.059 -4.585 -5.359 29 HB2 ARG 5 HB2 ARG 5 -6.771 -7.089 -5.455 30 HB3 ARG 5 HB1 ARG 5 -5.758 -6.170 -6.557 31 HG2 ARG 5 HG2 ARG 5 -4.009 -6.361 -4.615 32 HG3 ARG 5 HG1 ARG 5 -5.003 -7.747 -4.153 33 HD2 ARG 5 HD2 ARG 5 -4.797 -8.598 -6.462 34 HD3 ARG 5 HD1 ARG 5 -3.704 -7.263 -6.821 35 HE ARG 5 HE ARG 5 -2.777 -8.713 -4.573 36 HH11 ARG 5 HH11 ARG 5 -2.980 -8.981 -8.069 37 HH12 ARG 5 HH12 ARG 5 -1.603 -10.026 -8.183 38 HH21 ARG 5 HH21 ARG 5 -0.472 -10.649 -6.303 39 HH22 ARG 5 HH22 ARG 5 -0.979 -10.082 -4.747 40 H GLN 6 HN GLN 6 -5.312 -4.707 -2.428 41 HA GLN 6 HA GLN 6 -6.867 -6.450 -0.854 42 HB2 GLN 6 HB2 GLN 6 -4.915 -4.336 -0.363 43 HB3 GLN 6 HB1 GLN 6 -6.148 -4.426 0.887 44 HG2 GLN 6 HG2 GLN 6 -4.491 -6.776 -0.039 45 HG3 GLN 6 HG1 GLN 6 -4.120 -5.776 1.366 46 HE21 GLN 6 HE21 GLN 6 -5.276 -6.034 3.234 47 HE22 GLN 6 HE22 GLN 6 -6.398 -7.324 3.483 48 H ALA 7 HN ALA 7 -7.369 -3.242 -2.003 49 HA ALA 7 HA ALA 7 -9.789 -2.838 -0.410 50 HB1 ALA 7 HB1 ALA 7 -8.104 -1.074 -0.338 51 HB2 ALA 7 HB2 ALA 7 -9.594 -0.502 -1.087 52 HB3 ALA 7 HB3 ALA 7 -8.202 -0.910 -2.090 53 H GLY 8 HN GLY 8 -8.575 -3.022 -3.687 54 HA2 GLY 8 HA2 GLY 8 -10.042 -4.087 -5.354 55 HA3 GLY 8 HA1 GLY 8 -11.353 -3.121 -4.694 56 H GLY 9 HN GLY 9 -10.056 -0.649 -4.483 57 HA2 GLY 9 HA2 GLY 9 -8.693 0.201 -6.786 58 HA3 GLY 9 HA1 GLY 9 -10.416 0.409 -7.064 59 H ALA 10 HN ALA 10 -7.820 1.194 -4.782 60 HA ALA 10 HA ALA 10 -9.124 3.786 -4.273 61 HB1 ALA 10 HB1 ALA 10 -8.449 3.659 -1.928 62 HB2 ALA 10 HB2 ALA 10 -7.753 2.062 -2.204 63 HB3 ALA 10 HB3 ALA 10 -9.494 2.304 -2.357 64 H ARG 11 HN ARG 11 -7.381 5.220 -2.963 65 HA ARG 11 HA ARG 11 -4.715 4.899 -4.144 66 HB2 ARG 11 HB2 ARG 11 -6.485 7.328 -4.440 67 HB3 ARG 11 HB1 ARG 11 -4.740 7.409 -4.635 68 HG2 ARG 11 HG2 ARG 11 -4.878 5.775 -6.460 69 HG3 ARG 11 HG1 ARG 11 -6.632 5.728 -6.273 70 HD2 ARG 11 HD2 ARG 11 -6.230 7.203 -8.063 71 HD3 ARG 11 HD1 ARG 11 -6.596 8.232 -6.680 72 HE ARG 11 HE ARG 11 -3.834 7.920 -6.767 73 HH11 ARG 11 HH11 ARG 11 -6.321 9.369 -8.780 74 HH12 ARG 11 HH12 ARG 11 -5.252 10.559 -9.443 75 HH21 ARG 11 HH21 ARG 11 -2.453 9.487 -7.649 76 HH22 ARG 11 HH22 ARG 11 -3.065 10.625 -8.802 77 H CYS 12 HN CYS 12 -3.042 6.032 -3.065 78 HA CYS 12 HA CYS 12 -3.359 6.167 -0.244 79 HB2 CYS 12 HB2 CYS 12 -1.041 6.892 -2.035 80 HB3 CYS 12 HB1 CYS 12 -0.952 6.773 -0.280 81 H SER 13 HN SER 13 -2.201 8.032 0.990 82 HA SER 13 HA SER 13 -3.815 10.310 0.919 83 HB2 SER 13 HB2 SER 13 -2.476 9.444 2.907 84 HB3 SER 13 HB1 SER 13 -1.056 10.186 2.170 85 HG SER 13 HG SER 13 -1.927 12.174 2.465 86 H ASN 14 HN ASN 14 -0.466 9.941 -0.063 87 HA ASN 14 HA ASN 14 -0.751 12.041 -2.082 88 HB2 ASN 14 HB2 ASN 14 1.392 11.957 0.062 89 HB3 ASN 14 HB1 ASN 14 1.544 12.913 -1.408 90 HD21 ASN 14 HD21 ASN 14 0.233 14.718 -1.695 91 HD22 ASN 14 HD22 ASN 14 -0.615 15.452 -0.382 92 H GLY 15 HN GLY 15 1.814 12.039 -3.101 93 HA2 GLY 15 HA2 GLY 15 1.930 9.469 -4.397 94 HA3 GLY 15 HA1 GLY 15 2.999 10.836 -4.691 95 H LEU 16 HN LEU 16 2.224 8.607 -2.046 96 HA LEU 16 HA LEU 16 4.997 8.620 -1.169 97 HB2 LEU 16 HB2 LEU 16 3.977 7.243 0.776 98 HB3 LEU 16 HB1 LEU 16 3.638 8.957 0.675 99 HG LEU 16 HG LEU 16 1.513 7.797 -0.686 100 HD11 LEU 16 HD11 LEU 16 2.361 6.048 1.582 101 HD12 LEU 16 HD12 LEU 16 1.786 5.599 -0.025 102 HD13 LEU 16 HD13 LEU 16 0.662 6.242 1.169 103 HD21 LEU 16 HD21 LEU 16 1.423 9.713 0.804 104 HD22 LEU 16 HD22 LEU 16 1.676 8.650 2.189 105 HD23 LEU 16 HD23 LEU 16 0.205 8.510 1.227 106 H CYS 17 HN CYS 17 3.476 5.775 -0.194 107 HA CYS 17 HA CYS 17 4.662 4.150 -2.332 108 HB2 CYS 17 HB2 CYS 17 5.135 3.174 0.425 109 HB3 CYS 17 HB1 CYS 17 6.199 3.126 -0.976 110 H CYS 18 HN CYS 18 3.972 1.855 -2.211 111 HA CYS 18 HA CYS 18 1.518 1.387 -0.682 112 HB2 CYS 18 HB2 CYS 18 0.709 2.221 -2.801 113 HB3 CYS 18 HB1 CYS 18 1.761 1.129 -3.690 114 H SER 19 HN SER 19 1.613 -0.478 0.320 115 HA SER 19 HA SER 19 3.727 -2.325 0.037 116 HB2 SER 19 HB2 SER 19 1.107 -2.515 1.521 117 HB3 SER 19 HB1 SER 19 2.413 -3.687 1.674 118 HG SER 19 HG SER 19 3.017 -0.983 2.037 119 H GLN 20 HN GLN 20 3.563 -4.614 -0.315 120 HA GLN 20 HA GLN 20 2.866 -5.406 -2.810 121 HB2 GLN 20 HB2 GLN 20 4.203 -6.548 -0.824 122 HB3 GLN 20 HB1 GLN 20 2.722 -7.486 -0.717 123 HG2 GLN 20 HG2 GLN 20 2.968 -8.133 -3.067 124 HG3 GLN 20 HG1 GLN 20 4.465 -7.205 -3.158 125 HE21 GLN 20 HE21 GLN 20 6.302 -7.965 -2.109 126 HE22 GLN 20 HE22 GLN 20 6.439 -9.597 -1.561 127 H PHE 21 HN PHE 21 0.782 -5.587 -0.032 128 HA PHE 21 HA PHE 21 -1.262 -7.027 -1.511 129 HB2 PHE 21 HB2 PHE 21 -0.833 -6.236 1.321 130 HB3 PHE 21 HB1 PHE 21 -2.478 -6.523 0.783 131 HD1 PHE 21 HD1 PHE 21 0.758 -7.999 1.436 132 HD2 PHE 21 HD2 PHE 21 -3.207 -8.703 0.081 133 HE1 PHE 21 HE1 PHE 21 1.107 -10.430 1.713 134 HE2 PHE 21 HE2 PHE 21 -2.877 -11.137 0.354 135 HZ PHE 21 HZ PHE 21 -0.716 -11.999 1.170 136 H GLY 22 HN GLY 22 -0.443 -3.811 -0.728 137 HA2 GLY 22 HA2 GLY 22 -1.505 -2.065 -2.055 138 HA3 GLY 22 HA1 GLY 22 -3.036 -2.884 -1.774 139 H TYR 23 HN TYR 23 -0.343 -1.799 0.272 140 HA TYR 23 HA TYR 23 -2.311 -0.413 1.968 141 HB2 TYR 23 HB2 TYR 23 -0.745 -2.483 2.791 142 HB3 TYR 23 HB1 TYR 23 0.296 -1.118 3.181 143 HD1 TYR 23 HD1 TYR 23 -1.430 0.938 4.191 144 HD2 TYR 23 HD2 TYR 23 -1.758 -3.279 4.687 145 HE1 TYR 23 HE1 TYR 23 -2.733 1.287 6.248 146 HE2 TYR 23 HE2 TYR 23 -3.060 -2.938 6.745 147 HH TYR 23 HH TYR 23 -3.385 -1.204 8.456 148 H CYS 24 HN CYS 24 -2.037 1.640 2.383 149 HA CYS 24 HA CYS 24 0.109 3.044 1.026 150 HB2 CYS 24 HB2 CYS 24 -2.428 3.962 2.362 151 HB3 CYS 24 HB1 CYS 24 -1.261 5.057 1.623 152 H GLY 25 HN GLY 25 1.756 4.020 1.944 153 HA2 GLY 25 HA2 GLY 25 1.706 4.932 4.663 154 HA3 GLY 25 HA1 GLY 25 2.700 3.513 4.439 155 H SER 26 HN SER 26 3.352 6.177 5.243 156 HA SER 26 HA SER 26 5.621 6.680 3.462 157 HB2 SER 26 HB2 SER 26 5.188 9.147 3.524 158 HB3 SER 26 HB1 SER 26 3.905 8.281 2.689 159 HG SER 26 HG SER 26 2.709 8.370 4.671 160 H THR 27 HN THR 27 4.505 5.885 6.298 161 HA THR 27 HA THR 27 6.709 6.900 7.847 162 HB THR 27 HB THR 27 5.456 8.737 8.441 163 HG1 THR 27 HG1 THR 27 4.023 7.720 10.394 164 HG21 THR 27 HG21 THR 27 3.450 7.994 7.075 165 HG22 THR 27 HG22 THR 27 3.089 8.948 8.511 166 HG23 THR 27 HG23 THR 27 2.857 7.201 8.535 167 HA PRO 28 HA PRO 28 4.581 3.257 10.142 168 HB2 PRO 28 HB2 PRO 28 2.410 2.113 8.681 169 HB3 PRO 28 HB1 PRO 28 2.293 3.204 10.073 170 HG2 PRO 28 HG2 PRO 28 1.407 3.843 7.560 171 HG3 PRO 28 HG1 PRO 28 1.899 5.032 8.779 172 HD2 PRO 28 HD2 PRO 28 3.575 3.856 6.547 173 HD3 PRO 28 HD1 PRO 28 3.343 5.571 6.982 174 HA PRO 29 HA PRO 29 6.422 -0.475 8.347 175 HB2 PRO 29 HB2 PRO 29 4.660 -2.531 8.920 176 HB3 PRO 29 HB1 PRO 29 5.816 -1.847 10.078 177 HG2 PRO 29 HG2 PRO 29 2.918 -1.230 9.727 178 HG3 PRO 29 HG1 PRO 29 3.841 -1.505 11.221 179 HD2 PRO 29 HD2 PRO 29 3.252 0.959 10.475 180 HD3 PRO 29 HD1 PRO 29 4.857 0.584 11.134 181 H TYR 30 HN TYR 30 5.275 0.947 6.399 182 HA TYR 30 HA TYR 30 4.426 -1.072 4.448 183 HB2 TYR 30 HB2 TYR 30 3.170 1.664 4.405 184 HB3 TYR 30 HB1 TYR 30 2.663 0.224 3.546 185 HD1 TYR 30 HD1 TYR 30 1.835 2.354 6.152 186 HD2 TYR 30 HD2 TYR 30 2.016 -1.786 5.224 187 HE1 TYR 30 HE1 TYR 30 0.213 1.884 7.946 188 HE2 TYR 30 HE2 TYR 30 0.398 -2.273 7.013 189 HH TYR 30 HH TYR 30 -0.396 -1.247 9.101 190 H CYS 31 HN CYS 31 5.756 2.025 5.309 191 HA CYS 31 HA CYS 31 7.560 1.895 3.064 192 HB2 CYS 31 HB2 CYS 31 5.611 3.517 2.572 193 HB3 CYS 31 HB1 CYS 31 6.434 4.574 3.717 194 H GLY 32 HN GLY 32 7.514 1.511 5.989 195 HA2 GLY 32 HA2 GLY 32 10.042 2.862 6.499 196 HA3 GLY 32 HA1 GLY 32 8.735 3.114 7.655 197 H ALA 33 HN ALA 33 10.105 0.402 5.841 198 HA ALA 33 HA ALA 33 10.853 -1.657 6.371 199 HB1 ALA 33 HB1 ALA 33 10.848 -0.769 9.265 200 HB2 ALA 33 HB2 ALA 33 12.200 -0.592 8.145 201 HB3 ALA 33 HB3 ALA 33 11.644 -2.200 8.610 202 H GLY 34 HN GLY 34 9.131 -2.715 5.652 203 HA2 GLY 34 HA2 GLY 34 7.592 -4.236 7.483 204 HA3 GLY 34 HA1 GLY 34 6.612 -2.955 6.783 205 H GLN 35 HN GLN 35 6.373 -2.871 4.491 206 HA GLN 35 HA GLN 35 7.185 -5.123 2.880 207 HB2 GLN 35 HB2 GLN 35 4.710 -5.501 2.159 208 HB3 GLN 35 HB1 GLN 35 5.287 -6.258 3.633 209 HG2 GLN 35 HG2 GLN 35 4.197 -4.573 4.976 210 HG3 GLN 35 HG1 GLN 35 3.714 -3.687 3.532 211 HE21 GLN 35 HE21 GLN 35 3.151 -6.483 5.512 212 HE22 GLN 35 HE22 GLN 35 1.638 -6.932 4.810 213 H CYS 36 HN CYS 36 8.229 -2.999 2.209 214 HA CYS 36 HA CYS 36 6.596 -1.184 0.662 215 HB2 CYS 36 HB2 CYS 36 8.821 -0.143 0.100 216 HB3 CYS 36 HB1 CYS 36 8.439 -0.219 1.817 217 H GLN 37 HN GLN 37 5.903 -1.604 -1.325 218 HA GLN 37 HA GLN 37 7.495 -3.305 -3.104 219 HB2 GLN 37 HB2 GLN 37 4.981 -3.678 -2.580 220 HB3 GLN 37 HB1 GLN 37 4.710 -2.321 -3.664 221 HG2 GLN 37 HG2 GLN 37 5.924 -3.553 -5.433 222 HG3 GLN 37 HG1 GLN 37 6.033 -4.934 -4.343 223 HE21 GLN 37 HE21 GLN 37 3.908 -2.951 -6.261 224 HE22 GLN 37 HE22 GLN 37 2.571 -4.044 -6.275 225 H SER 38 HN SER 38 5.743 -0.203 -3.066 226 HA SER 38 HA SER 38 6.798 0.643 -5.600 227 HB2 SER 38 HB2 SER 38 5.160 2.109 -3.527 228 HB3 SER 38 HB1 SER 38 5.592 2.777 -5.101 229 HG SER 38 HG SER 38 3.471 1.669 -4.871 230 H GLN 39 HN GLN 39 7.181 1.770 -2.276 231 HA GLN 39 HA GLN 39 9.918 2.600 -2.835 232 HB2 GLN 39 HB2 GLN 39 7.719 4.479 -2.018 233 HB3 GLN 39 HB1 GLN 39 9.380 4.794 -1.535 234 HG2 GLN 39 HG2 GLN 39 10.043 4.747 -3.911 235 HG3 GLN 39 HG1 GLN 39 8.350 4.528 -4.350 236 HE21 GLN 39 HE21 GLN 39 6.921 6.241 -4.129 237 HE22 GLN 39 HE22 GLN 39 7.457 7.868 -3.906 238 H CYS 40 HN CYS 40 11.265 2.468 -1.109 239 HA CYS 40 HA CYS 40 10.108 1.406 1.375 240 HB2 CYS 40 HB2 CYS 40 12.913 1.150 0.269 241 HB3 CYS 40 HB1 CYS 40 12.368 0.476 1.800 Start of MODEL 11 1 H1 PHE 1 HT1 PHE 1 -5.927 -2.358 1.215 2 H2 PHE 1 HT2 PHE 1 -7.519 -2.931 1.209 3 H3 PHE 1 HT3 PHE 1 -6.319 -3.775 2.053 4 HA PHE 1 HA PHE 1 -7.727 -2.526 3.548 5 HB2 PHE 1 HB2 PHE 1 -4.915 -1.428 3.334 6 HB3 PHE 1 HB1 PHE 1 -5.937 -1.329 4.763 7 HD1 PHE 1 HD1 PHE 1 -6.333 -3.270 6.144 8 HD2 PHE 1 HD2 PHE 1 -3.866 -3.511 2.684 9 HE1 PHE 1 HE1 PHE 1 -5.456 -5.432 6.927 10 HE2 PHE 1 HE2 PHE 1 -2.982 -5.673 3.463 11 HZ PHE 1 HZ PHE 1 -3.778 -6.636 5.585 12 H GLN 2 HN GLN 2 -5.785 -0.349 1.577 13 HA GLN 2 HA GLN 2 -8.006 1.519 1.294 14 HB2 GLN 2 HB2 GLN 2 -5.347 2.271 2.521 15 HB3 GLN 2 HB1 GLN 2 -6.452 3.454 1.840 16 HG2 GLN 2 HG2 GLN 2 -8.167 2.730 3.458 17 HG3 GLN 2 HG1 GLN 2 -6.991 1.628 4.171 18 HE21 GLN 2 HE21 GLN 2 -5.268 2.463 5.350 19 HE22 GLN 2 HE22 GLN 2 -5.260 4.086 5.941 20 H CYS 3 HN CYS 3 -5.040 0.157 0.271 21 HA CYS 3 HA CYS 3 -5.196 1.561 -2.308 22 HB2 CYS 3 HB2 CYS 3 -3.403 2.633 -1.116 23 HB3 CYS 3 HB1 CYS 3 -2.748 1.090 -0.591 24 H GLY 4 HN GLY 4 -3.711 0.375 -3.959 25 HA2 GLY 4 HA2 GLY 4 -3.238 -1.484 -5.202 26 HA3 GLY 4 HA1 GLY 4 -2.946 -2.301 -3.683 27 H ARG 5 HN ARG 5 -3.742 -4.204 -4.622 28 HA ARG 5 HA ARG 5 -6.475 -4.364 -5.520 29 HB2 ARG 5 HB2 ARG 5 -5.974 -6.825 -5.733 30 HB3 ARG 5 HB1 ARG 5 -4.920 -5.772 -6.662 31 HG2 ARG 5 HG2 ARG 5 -3.386 -5.962 -4.541 32 HG3 ARG 5 HG1 ARG 5 -4.312 -7.445 -4.283 33 HD2 ARG 5 HD2 ARG 5 -3.780 -8.118 -6.597 34 HD3 ARG 5 HD1 ARG 5 -2.765 -6.685 -6.746 35 HE ARG 5 HE ARG 5 -1.985 -8.219 -4.496 36 HH11 ARG 5 HH11 ARG 5 -1.755 -8.236 -8.001 37 HH12 ARG 5 HH12 ARG 5 -0.290 -9.160 -8.013 38 HH21 ARG 5 HH21 ARG 5 0.663 -9.832 -6.054 39 HH22 ARG 5 HH22 ARG 5 -0.067 -9.427 -4.538 40 H GLN 6 HN GLN 6 -4.973 -4.498 -2.475 41 HA GLN 6 HA GLN 6 -6.592 -6.418 -1.133 42 HB2 GLN 6 HB2 GLN 6 -4.376 -5.006 -0.456 43 HB3 GLN 6 HB1 GLN 6 -5.601 -4.090 0.408 44 HG2 GLN 6 HG2 GLN 6 -5.198 -7.072 0.689 45 HG3 GLN 6 HG1 GLN 6 -4.501 -5.867 1.767 46 HE21 GLN 6 HE21 GLN 6 -7.377 -7.526 0.794 47 HE22 GLN 6 HE22 GLN 6 -8.378 -6.997 2.099 48 H ALA 7 HN ALA 7 -7.085 -3.260 -2.273 49 HA ALA 7 HA ALA 7 -9.650 -2.995 -0.868 50 HB1 ALA 7 HB1 ALA 7 -8.010 -1.390 -0.037 51 HB2 ALA 7 HB2 ALA 7 -9.320 -0.579 -0.896 52 HB3 ALA 7 HB3 ALA 7 -7.756 -0.802 -1.680 53 H GLY 8 HN GLY 8 -7.807 -2.511 -3.796 54 HA2 GLY 8 HA2 GLY 8 -9.406 -3.195 -5.762 55 HA3 GLY 8 HA1 GLY 8 -10.178 -1.684 -5.306 56 H GLY 9 HN GLY 9 -8.630 0.219 -5.174 57 HA2 GLY 9 HA2 GLY 9 -6.203 0.308 -6.573 58 HA3 GLY 9 HA1 GLY 9 -7.491 0.678 -7.709 59 H ALA 10 HN ALA 10 -6.074 1.668 -4.600 60 HA ALA 10 HA ALA 10 -6.704 4.459 -5.255 61 HB1 ALA 10 HB1 ALA 10 -7.542 4.911 -3.008 62 HB2 ALA 10 HB2 ALA 10 -7.333 3.214 -2.575 63 HB3 ALA 10 HB3 ALA 10 -8.517 3.672 -3.799 64 H ARG 11 HN ARG 11 -5.702 5.870 -3.286 65 HA ARG 11 HA ARG 11 -3.058 4.845 -2.529 66 HB2 ARG 11 HB2 ARG 11 -3.587 7.376 -4.091 67 HB3 ARG 11 HB1 ARG 11 -2.109 7.133 -3.172 68 HG2 ARG 11 HG2 ARG 11 -1.573 5.179 -4.524 69 HG3 ARG 11 HG1 ARG 11 -3.072 5.384 -5.429 70 HD2 ARG 11 HD2 ARG 11 -0.961 7.524 -5.267 71 HD3 ARG 11 HD1 ARG 11 -0.954 6.275 -6.511 72 HE ARG 11 HE ARG 11 -3.473 7.568 -6.417 73 HH11 ARG 11 HH11 ARG 11 -0.183 8.103 -7.527 74 HH12 ARG 11 HH12 ARG 11 -0.661 9.212 -8.770 75 HH21 ARG 11 HH21 ARG 11 -4.074 9.021 -8.050 76 HH22 ARG 11 HH22 ARG 11 -2.862 9.731 -9.064 77 H CYS 12 HN CYS 12 -2.039 6.090 -0.779 78 HA CYS 12 HA CYS 12 -4.030 6.947 1.123 79 HB2 CYS 12 HB2 CYS 12 -1.108 6.407 1.277 80 HB3 CYS 12 HB1 CYS 12 -1.867 7.346 2.555 81 H SER 13 HN SER 13 -1.103 8.707 1.513 82 HA SER 13 HA SER 13 -2.592 11.188 1.366 83 HB2 SER 13 HB2 SER 13 -1.194 10.652 3.360 84 HB3 SER 13 HB1 SER 13 0.242 10.720 2.339 85 HG SER 13 HG SER 13 -1.085 12.732 3.512 86 H ASN 14 HN ASN 14 0.810 11.274 0.755 87 HA ASN 14 HA ASN 14 0.340 12.571 -1.824 88 HB2 ASN 14 HB2 ASN 14 2.619 12.551 0.142 89 HB3 ASN 14 HB1 ASN 14 2.835 13.162 -1.496 90 HD21 ASN 14 HD21 ASN 14 1.307 13.666 1.578 91 HD22 ASN 14 HD22 ASN 14 0.818 15.299 1.299 92 H GLY 15 HN GLY 15 2.859 12.204 -2.990 93 HA2 GLY 15 HA2 GLY 15 2.522 9.657 -4.234 94 HA3 GLY 15 HA1 GLY 15 3.815 10.806 -4.545 95 H LEU 16 HN LEU 16 2.695 8.578 -2.048 96 HA LEU 16 HA LEU 16 5.417 8.084 -1.138 97 HB2 LEU 16 HB2 LEU 16 4.057 6.628 0.592 98 HB3 LEU 16 HB1 LEU 16 4.097 8.369 0.741 99 HG LEU 16 HG LEU 16 1.865 8.184 -0.684 100 HD11 LEU 16 HD11 LEU 16 2.140 5.674 -0.811 101 HD12 LEU 16 HD12 LEU 16 0.564 6.298 -0.328 102 HD13 LEU 16 HD13 LEU 16 1.669 5.659 0.890 103 HD21 LEU 16 HD21 LEU 16 1.938 7.604 2.260 104 HD22 LEU 16 HD22 LEU 16 0.605 8.322 1.359 105 HD23 LEU 16 HD23 LEU 16 2.121 9.203 1.540 106 H CYS 17 HN CYS 17 3.861 5.338 -0.337 107 HA CYS 17 HA CYS 17 4.342 3.913 -2.844 108 HB2 CYS 17 HB2 CYS 17 5.424 2.123 -1.059 109 HB3 CYS 17 HB1 CYS 17 6.361 3.187 -2.098 110 H CYS 18 HN CYS 18 3.719 1.498 -2.526 111 HA CYS 18 HA CYS 18 1.461 1.221 -0.677 112 HB2 CYS 18 HB2 CYS 18 0.632 2.055 -2.885 113 HB3 CYS 18 HB1 CYS 18 1.238 0.577 -3.621 114 H SER 19 HN SER 19 1.377 -0.655 0.293 115 HA SER 19 HA SER 19 3.441 -2.562 0.047 116 HB2 SER 19 HB2 SER 19 0.842 -2.650 1.575 117 HB3 SER 19 HB1 SER 19 2.133 -3.836 1.744 118 HG SER 19 HG SER 19 3.452 -2.285 2.584 119 H GLN 20 HN GLN 20 3.365 -4.757 -0.316 120 HA GLN 20 HA GLN 20 2.681 -5.743 -2.688 121 HB2 GLN 20 HB2 GLN 20 2.947 -7.126 -0.057 122 HB3 GLN 20 HB1 GLN 20 2.639 -8.044 -1.524 123 HG2 GLN 20 HG2 GLN 20 4.679 -7.137 -2.517 124 HG3 GLN 20 HG1 GLN 20 4.983 -6.217 -1.045 125 HE21 GLN 20 HE21 GLN 20 4.956 -9.366 -2.509 126 HE22 GLN 20 HE22 GLN 20 5.831 -10.180 -1.261 127 H PHE 21 HN PHE 21 0.500 -5.936 0.061 128 HA PHE 21 HA PHE 21 -1.526 -7.301 -1.499 129 HB2 PHE 21 HB2 PHE 21 -1.492 -6.279 1.339 130 HB3 PHE 21 HB1 PHE 21 -2.908 -7.018 0.604 131 HD1 PHE 21 HD1 PHE 21 -2.980 -9.368 0.123 132 HD2 PHE 21 HD2 PHE 21 0.439 -7.580 1.906 133 HE1 PHE 21 HE1 PHE 21 -2.151 -11.605 0.757 134 HE2 PHE 21 HE2 PHE 21 1.283 -9.808 2.546 135 HZ PHE 21 HZ PHE 21 -0.015 -11.824 1.969 136 H GLY 22 HN GLY 22 -1.002 -4.175 -0.055 137 HA2 GLY 22 HA2 GLY 22 -1.850 -2.380 -1.709 138 HA3 GLY 22 HA1 GLY 22 -3.411 -3.096 -1.326 139 H TYR 23 HN TYR 23 -0.555 -2.260 0.613 140 HA TYR 23 HA TYR 23 -2.308 -0.601 2.303 141 HB2 TYR 23 HB2 TYR 23 -1.031 -2.831 3.180 142 HB3 TYR 23 HB1 TYR 23 0.199 -1.618 3.510 143 HD1 TYR 23 HD1 TYR 23 -1.838 -3.422 5.274 144 HD2 TYR 23 HD2 TYR 23 -1.472 0.711 4.320 145 HE1 TYR 23 HE1 TYR 23 -3.026 -2.842 7.349 146 HE2 TYR 23 HE2 TYR 23 -2.661 1.300 6.393 147 HH TYR 23 HH TYR 23 -3.232 -0.933 8.882 148 H CYS 24 HN CYS 24 -1.961 1.413 1.783 149 HA CYS 24 HA CYS 24 0.698 2.325 1.013 150 HB2 CYS 24 HB2 CYS 24 -0.551 4.460 0.456 151 HB3 CYS 24 HB1 CYS 24 -1.053 3.046 -0.459 152 H GLY 25 HN GLY 25 1.745 4.060 1.959 153 HA2 GLY 25 HA2 GLY 25 0.785 5.429 4.265 154 HA3 GLY 25 HA1 GLY 25 1.885 4.134 4.719 155 H SER 26 HN SER 26 2.984 6.161 5.560 156 HA SER 26 HA SER 26 5.142 6.848 3.736 157 HB2 SER 26 HB2 SER 26 4.887 9.343 4.276 158 HB3 SER 26 HB1 SER 26 3.703 8.683 3.152 159 HG SER 26 HG SER 26 2.228 9.285 4.504 160 H THR 27 HN THR 27 4.100 5.923 6.646 161 HA THR 27 HA THR 27 6.530 6.755 8.037 162 HB THR 27 HB THR 27 5.253 7.253 10.115 163 HG1 THR 27 HG1 THR 27 3.276 6.138 9.130 164 HG21 THR 27 HG21 THR 27 6.029 9.088 8.718 165 HG22 THR 27 HG22 THR 27 4.470 9.477 9.446 166 HG23 THR 27 HG23 THR 27 4.556 8.992 7.753 167 HA PRO 28 HA PRO 28 4.674 2.875 10.142 168 HB2 PRO 28 HB2 PRO 28 2.461 1.787 8.663 169 HB3 PRO 28 HB1 PRO 28 2.404 2.621 10.225 170 HG2 PRO 28 HG2 PRO 28 1.262 3.603 7.956 171 HG3 PRO 28 HG1 PRO 28 1.836 4.617 9.296 172 HD2 PRO 28 HD2 PRO 28 3.286 3.901 6.742 173 HD3 PRO 28 HD1 PRO 28 3.064 5.503 7.490 174 HA PRO 29 HA PRO 29 6.610 -0.500 7.904 175 HB2 PRO 29 HB2 PRO 29 4.994 -2.699 8.431 176 HB3 PRO 29 HB1 PRO 29 6.216 -2.052 9.540 177 HG2 PRO 29 HG2 PRO 29 3.272 -1.599 9.510 178 HG3 PRO 29 HG1 PRO 29 4.359 -1.887 10.886 179 HD2 PRO 29 HD2 PRO 29 3.511 0.574 10.321 180 HD3 PRO 29 HD1 PRO 29 5.177 0.290 10.864 181 H TYR 30 HN TYR 30 5.135 1.032 6.223 182 HA TYR 30 HA TYR 30 4.316 -0.851 4.127 183 HB2 TYR 30 HB2 TYR 30 2.824 1.748 4.424 184 HB3 TYR 30 HB1 TYR 30 2.357 0.308 3.536 185 HD1 TYR 30 HD1 TYR 30 2.129 -1.837 5.229 186 HD2 TYR 30 HD2 TYR 30 1.522 2.248 6.236 187 HE1 TYR 30 HE1 TYR 30 0.710 -2.529 7.115 188 HE2 TYR 30 HE2 TYR 30 0.101 1.568 8.132 189 HH TYR 30 HH TYR 30 -0.048 -1.623 9.273 190 H CYS 31 HN CYS 31 5.534 2.195 5.233 191 HA CYS 31 HA CYS 31 7.005 2.574 2.777 192 HB2 CYS 31 HB2 CYS 31 5.021 4.542 3.839 193 HB3 CYS 31 HB1 CYS 31 6.436 5.103 2.949 194 H GLY 32 HN GLY 32 8.711 1.883 4.015 195 HA2 GLY 32 HA2 GLY 32 10.585 3.567 4.893 196 HA3 GLY 32 HA1 GLY 32 9.577 3.413 6.329 197 H ALA 33 HN ALA 33 8.928 1.024 6.729 198 HA ALA 33 HA ALA 33 10.851 -0.995 6.041 199 HB1 ALA 33 HB1 ALA 33 12.097 0.161 7.825 200 HB2 ALA 33 HB2 ALA 33 11.634 -1.468 8.315 201 HB3 ALA 33 HB3 ALA 33 10.740 -0.076 8.925 202 H GLY 34 HN GLY 34 9.356 -2.417 5.447 203 HA2 GLY 34 HA2 GLY 34 7.902 -3.932 7.279 204 HA3 GLY 34 HA1 GLY 34 6.809 -2.714 6.640 205 H GLN 35 HN GLN 35 5.898 -3.001 4.715 206 HA GLN 35 HA GLN 35 6.869 -5.161 2.973 207 HB2 GLN 35 HB2 GLN 35 4.379 -5.622 2.488 208 HB3 GLN 35 HB1 GLN 35 5.067 -6.249 3.976 209 HG2 GLN 35 HG2 GLN 35 4.083 -4.313 5.183 210 HG3 GLN 35 HG1 GLN 35 3.304 -3.821 3.682 211 HE21 GLN 35 HE21 GLN 35 1.617 -5.073 2.854 212 HE22 GLN 35 HE22 GLN 35 0.774 -6.228 3.822 213 H CYS 36 HN CYS 36 7.639 -2.664 2.501 214 HA CYS 36 HA CYS 36 5.855 -1.241 0.739 215 HB2 CYS 36 HB2 CYS 36 7.505 -0.082 2.176 216 HB3 CYS 36 HB1 CYS 36 8.806 -0.818 1.249 217 H GLN 37 HN GLN 37 5.476 -1.781 -1.289 218 HA GLN 37 HA GLN 37 7.468 -3.305 -2.806 219 HB2 GLN 37 HB2 GLN 37 5.065 -4.120 -2.416 220 HB3 GLN 37 HB1 GLN 37 4.587 -2.877 -3.560 221 HG2 GLN 37 HG2 GLN 37 6.046 -3.915 -5.249 222 HG3 GLN 37 HG1 GLN 37 6.420 -5.198 -4.100 223 HE21 GLN 37 HE21 GLN 37 3.988 -3.800 -6.154 224 HE22 GLN 37 HE22 GLN 37 2.898 -5.140 -6.119 225 H SER 38 HN SER 38 5.234 -0.549 -3.127 226 HA SER 38 HA SER 38 6.222 0.212 -5.714 227 HB2 SER 38 HB2 SER 38 3.848 0.527 -4.833 228 HB3 SER 38 HB1 SER 38 4.482 1.882 -3.903 229 HG SER 38 HG SER 38 4.188 2.986 -5.656 230 H GLN 39 HN GLN 39 6.323 2.951 -5.631 231 HA GLN 39 HA GLN 39 8.970 3.556 -5.148 232 HB2 GLN 39 HB2 GLN 39 6.499 5.179 -5.555 233 HB3 GLN 39 HB1 GLN 39 8.005 5.995 -5.158 234 HG2 GLN 39 HG2 GLN 39 9.068 4.959 -7.111 235 HG3 GLN 39 HG1 GLN 39 7.543 4.170 -7.509 236 HE21 GLN 39 HE21 GLN 39 5.839 5.397 -8.309 237 HE22 GLN 39 HE22 GLN 39 6.068 6.992 -8.932 238 H CYS 40 HN CYS 40 9.850 3.197 -3.180 239 HA CYS 40 HA CYS 40 8.621 4.368 -0.797 240 HB2 CYS 40 HB2 CYS 40 10.087 1.991 -1.287 241 HB3 CYS 40 HB1 CYS 40 11.070 2.990 -0.222 Start of MODEL 12 1 H1 PHE 1 HT1 PHE 1 -6.738 0.596 5.608 2 H2 PHE 1 HT2 PHE 1 -6.576 -1.087 5.602 3 H3 PHE 1 HT3 PHE 1 -7.974 -0.371 4.977 4 HA PHE 1 HA PHE 1 -5.244 -0.082 3.866 5 HB2 PHE 1 HB2 PHE 1 -7.629 -1.677 2.899 6 HB3 PHE 1 HB1 PHE 1 -6.173 -1.397 1.951 7 HD1 PHE 1 HD1 PHE 1 -7.624 -3.186 4.784 8 HD2 PHE 1 HD2 PHE 1 -4.095 -2.522 2.500 9 HE1 PHE 1 HE1 PHE 1 -6.594 -5.173 5.806 10 HE2 PHE 1 HE2 PHE 1 -3.060 -4.509 3.516 11 HZ PHE 1 HZ PHE 1 -4.309 -5.838 5.171 12 H GLN 2 HN GLN 2 -5.101 1.137 1.953 13 HA GLN 2 HA GLN 2 -7.429 2.740 1.185 14 HB2 GLN 2 HB2 GLN 2 -4.788 3.855 2.129 15 HB3 GLN 2 HB1 GLN 2 -5.901 4.789 1.141 16 HG2 GLN 2 HG2 GLN 2 -6.783 3.547 3.722 17 HG3 GLN 2 HG1 GLN 2 -5.959 5.103 3.686 18 HE21 GLN 2 HE21 GLN 2 -6.992 6.882 2.776 19 HE22 GLN 2 HE22 GLN 2 -8.694 6.904 2.478 20 H CYS 3 HN CYS 3 -4.762 0.926 0.293 21 HA CYS 3 HA CYS 3 -4.183 2.263 -2.209 22 HB2 CYS 3 HB2 CYS 3 -2.451 1.059 -0.866 23 HB3 CYS 3 HB1 CYS 3 -3.266 -0.450 -1.251 24 H GLY 4 HN GLY 4 -4.083 0.725 -4.230 25 HA2 GLY 4 HA2 GLY 4 -6.821 -0.200 -4.616 26 HA3 GLY 4 HA1 GLY 4 -5.666 0.165 -5.878 27 H ARG 5 HN ARG 5 -4.506 -1.923 -3.344 28 HA ARG 5 HA ARG 5 -4.784 -4.139 -5.240 29 HB2 ARG 5 HB2 ARG 5 -2.903 -4.198 -2.884 30 HB3 ARG 5 HB1 ARG 5 -2.877 -5.214 -4.309 31 HG2 ARG 5 HG2 ARG 5 -2.557 -2.425 -4.998 32 HG3 ARG 5 HG1 ARG 5 -1.332 -2.963 -3.846 33 HD2 ARG 5 HD2 ARG 5 -0.725 -4.802 -5.293 34 HD3 ARG 5 HD1 ARG 5 -2.013 -4.379 -6.421 35 HE ARG 5 HE ARG 5 -0.418 -2.132 -6.179 36 HH11 ARG 5 HH11 ARG 5 0.015 -5.430 -7.310 37 HH12 ARG 5 HH12 ARG 5 1.257 -5.001 -8.437 38 HH21 ARG 5 HH21 ARG 5 1.934 -2.832 -8.635 39 HH22 ARG 5 HH22 ARG 5 1.211 -1.595 -7.663 40 H GLN 6 HN GLN 6 -5.137 -3.337 -1.842 41 HA GLN 6 HA GLN 6 -6.346 -5.898 -1.199 42 HB2 GLN 6 HB2 GLN 6 -4.992 -3.982 0.283 43 HB3 GLN 6 HB1 GLN 6 -6.661 -3.775 0.788 44 HG2 GLN 6 HG2 GLN 6 -5.319 -6.472 0.760 45 HG3 GLN 6 HG1 GLN 6 -5.219 -5.384 2.143 46 HE21 GLN 6 HE21 GLN 6 -7.287 -7.429 0.243 47 HE22 GLN 6 HE22 GLN 6 -8.606 -7.479 1.357 48 H ALA 7 HN ALA 7 -7.255 -2.739 -2.167 49 HA ALA 7 HA ALA 7 -10.068 -3.086 -1.479 50 HB1 ALA 7 HB1 ALA 7 -10.311 -0.740 -2.110 51 HB2 ALA 7 HB2 ALA 7 -8.626 -0.702 -2.630 52 HB3 ALA 7 HB3 ALA 7 -9.018 -0.946 -0.928 53 H GLY 8 HN GLY 8 -7.897 -2.868 -4.211 54 HA2 GLY 8 HA2 GLY 8 -8.509 -4.218 -6.174 55 HA3 GLY 8 HA1 GLY 8 -10.136 -3.588 -5.998 56 H GLY 9 HN GLY 9 -8.749 -0.874 -5.359 57 HA2 GLY 9 HA2 GLY 9 -7.393 0.000 -7.637 58 HA3 GLY 9 HA1 GLY 9 -9.102 0.223 -7.950 59 H ALA 10 HN ALA 10 -8.238 0.607 -4.647 60 HA ALA 10 HA ALA 10 -9.014 3.335 -4.585 61 HB1 ALA 10 HB1 ALA 10 -9.355 1.792 -2.713 62 HB2 ALA 10 HB2 ALA 10 -8.465 3.230 -2.214 63 HB3 ALA 10 HB3 ALA 10 -7.611 1.708 -2.466 64 H ARG 11 HN ARG 11 -7.391 4.810 -3.044 65 HA ARG 11 HA ARG 11 -4.702 4.773 -4.204 66 HB2 ARG 11 HB2 ARG 11 -4.814 7.240 -4.660 67 HB3 ARG 11 HB1 ARG 11 -5.875 6.292 -5.687 68 HG2 ARG 11 HG2 ARG 11 -7.779 6.921 -4.241 69 HG3 ARG 11 HG1 ARG 11 -6.689 7.929 -3.290 70 HD2 ARG 11 HD2 ARG 11 -7.757 9.388 -4.805 71 HD3 ARG 11 HD1 ARG 11 -6.134 9.134 -5.444 72 HE ARG 11 HE ARG 11 -7.911 7.269 -6.593 73 HH11 ARG 11 HH11 ARG 11 -7.156 10.696 -6.743 74 HH12 ARG 11 HH12 ARG 11 -7.713 10.864 -8.374 75 HH21 ARG 11 HH21 ARG 11 -8.634 7.513 -8.728 76 HH22 ARG 11 HH22 ARG 11 -8.549 9.063 -9.496 77 H CYS 12 HN CYS 12 -3.122 5.926 -3.044 78 HA CYS 12 HA CYS 12 -3.458 5.806 -0.223 79 HB2 CYS 12 HB2 CYS 12 -1.145 6.777 -1.901 80 HB3 CYS 12 HB1 CYS 12 -1.076 6.460 -0.172 81 H SER 13 HN SER 13 -2.219 7.646 1.094 82 HA SER 13 HA SER 13 -3.952 9.845 1.270 83 HB2 SER 13 HB2 SER 13 -2.408 8.851 3.104 84 HB3 SER 13 HB1 SER 13 -1.147 9.864 2.403 85 HG SER 13 HG SER 13 -1.979 11.261 3.759 86 H ASN 14 HN ASN 14 -0.640 9.673 0.127 87 HA ASN 14 HA ASN 14 -1.082 11.910 -1.708 88 HB2 ASN 14 HB2 ASN 14 1.159 11.738 0.328 89 HB3 ASN 14 HB1 ASN 14 1.211 12.808 -1.069 90 HD21 ASN 14 HD21 ASN 14 -0.163 14.584 -1.152 91 HD22 ASN 14 HD22 ASN 14 -0.974 15.183 0.251 92 H GLY 15 HN GLY 15 1.492 12.055 -2.776 93 HA2 GLY 15 HA2 GLY 15 1.584 9.622 -4.317 94 HA3 GLY 15 HA1 GLY 15 2.632 11.021 -4.509 95 H LEU 16 HN LEU 16 1.965 8.598 -2.002 96 HA LEU 16 HA LEU 16 4.805 8.488 -1.349 97 HB2 LEU 16 HB2 LEU 16 3.882 7.076 0.635 98 HB3 LEU 16 HB1 LEU 16 3.681 8.814 0.631 99 HG LEU 16 HG LEU 16 1.328 8.057 -0.486 100 HD11 LEU 16 HD11 LEU 16 1.292 5.787 -0.308 101 HD12 LEU 16 HD12 LEU 16 0.596 6.240 1.249 102 HD13 LEU 16 HD13 LEU 16 2.288 5.772 1.146 103 HD21 LEU 16 HD21 LEU 16 2.038 8.385 2.409 104 HD22 LEU 16 HD22 LEU 16 0.389 8.356 1.792 105 HD23 LEU 16 HD23 LEU 16 1.498 9.629 1.283 106 H CYS 17 HN CYS 17 3.356 5.658 -0.291 107 HA CYS 17 HA CYS 17 4.156 4.102 -2.644 108 HB2 CYS 17 HB2 CYS 17 5.072 2.853 -0.178 109 HB3 CYS 17 HB1 CYS 17 5.969 3.182 -1.655 110 H CYS 18 HN CYS 18 3.669 1.666 -2.194 111 HA CYS 18 HA CYS 18 1.298 1.309 -0.519 112 HB2 CYS 18 HB2 CYS 18 0.320 1.833 -2.633 113 HB3 CYS 18 HB1 CYS 18 1.442 0.786 -3.490 114 H SER 19 HN SER 19 1.044 -0.711 0.323 115 HA SER 19 HA SER 19 3.339 -2.456 0.259 116 HB2 SER 19 HB2 SER 19 0.728 -2.624 1.770 117 HB3 SER 19 HB1 SER 19 2.055 -3.768 1.958 118 HG SER 19 HG SER 19 2.487 -2.322 3.487 119 H GLN 20 HN GLN 20 3.247 -4.717 -0.080 120 HA GLN 20 HA GLN 20 2.515 -5.591 -2.513 121 HB2 GLN 20 HB2 GLN 20 2.844 -7.165 0.016 122 HB3 GLN 20 HB1 GLN 20 2.623 -7.936 -1.547 123 HG2 GLN 20 HG2 GLN 20 4.648 -6.872 -2.377 124 HG3 GLN 20 HG1 GLN 20 4.862 -6.054 -0.830 125 HE21 GLN 20 HE21 GLN 20 5.029 -9.079 -2.527 126 HE22 GLN 20 HE22 GLN 20 5.909 -9.944 -1.317 127 H PHE 21 HN PHE 21 0.438 -5.761 0.295 128 HA PHE 21 HA PHE 21 -1.622 -7.205 -1.176 129 HB2 PHE 21 HB2 PHE 21 -1.303 -6.363 1.682 130 HB3 PHE 21 HB1 PHE 21 -2.866 -6.897 1.068 131 HD1 PHE 21 HD1 PHE 21 -3.230 -9.161 0.397 132 HD2 PHE 21 HD2 PHE 21 0.528 -7.869 1.897 133 HE1 PHE 21 HE1 PHE 21 -2.568 -11.520 0.742 134 HE2 PHE 21 HE2 PHE 21 1.209 -10.221 2.249 135 HZ PHE 21 HZ PHE 21 -0.344 -12.047 1.668 136 H GLY 22 HN GLY 22 -0.856 -4.014 -0.203 137 HA2 GLY 22 HA2 GLY 22 -1.990 -2.271 -1.544 138 HA3 GLY 22 HA1 GLY 22 -3.496 -3.074 -1.119 139 H TYR 23 HN TYR 23 -0.626 -2.147 0.761 140 HA TYR 23 HA TYR 23 -2.421 -0.606 2.518 141 HB2 TYR 23 HB2 TYR 23 -1.013 -2.795 3.327 142 HB3 TYR 23 HB1 TYR 23 0.135 -1.515 3.692 143 HD1 TYR 23 HD1 TYR 23 -1.755 0.672 4.520 144 HD2 TYR 23 HD2 TYR 23 -1.708 -3.486 5.436 145 HE1 TYR 23 HE1 TYR 23 -2.977 1.123 6.608 146 HE2 TYR 23 HE2 TYR 23 -2.931 -3.044 7.524 147 HH TYR 23 HH TYR 23 -3.310 -1.180 9.078 148 H CYS 24 HN CYS 24 -2.154 1.430 2.244 149 HA CYS 24 HA CYS 24 0.148 2.588 1.017 150 HB2 CYS 24 HB2 CYS 24 -2.352 3.746 2.215 151 HB3 CYS 24 HB1 CYS 24 -1.110 4.720 1.434 152 H GLY 25 HN GLY 25 1.597 4.044 1.819 153 HA2 GLY 25 HA2 GLY 25 1.610 5.118 4.404 154 HA3 GLY 25 HA1 GLY 25 2.537 3.633 4.429 155 H SER 26 HN SER 26 3.606 5.992 5.075 156 HA SER 26 HA SER 26 5.780 6.298 3.143 157 HB2 SER 26 HB2 SER 26 5.649 8.825 3.379 158 HB3 SER 26 HB1 SER 26 4.330 8.124 2.457 159 HG SER 26 HG SER 26 4.309 9.276 4.996 160 H THR 27 HN THR 27 4.774 5.567 6.055 161 HA THR 27 HA THR 27 7.161 6.393 7.451 162 HB THR 27 HB THR 27 6.125 8.283 8.203 163 HG1 THR 27 HG1 THR 27 4.592 6.865 10.029 164 HG21 THR 27 HG21 THR 27 4.010 7.649 6.830 165 HG22 THR 27 HG22 THR 27 3.848 8.789 8.164 166 HG23 THR 27 HG23 THR 27 3.364 7.108 8.381 167 HA PRO 28 HA PRO 28 4.962 2.963 9.989 168 HB2 PRO 28 HB2 PRO 28 2.601 1.954 8.699 169 HB3 PRO 28 HB1 PRO 28 2.678 3.001 10.125 170 HG2 PRO 28 HG2 PRO 28 1.596 3.792 7.755 171 HG3 PRO 28 HG1 PRO 28 2.334 4.906 8.922 172 HD2 PRO 28 HD2 PRO 28 3.623 3.626 6.502 173 HD3 PRO 28 HD1 PRO 28 3.583 5.350 6.960 174 HA PRO 29 HA PRO 29 6.357 -0.901 8.065 175 HB2 PRO 29 HB2 PRO 29 3.999 -2.465 8.970 176 HB3 PRO 29 HB1 PRO 29 5.716 -2.694 9.351 177 HG2 PRO 29 HG2 PRO 29 4.071 -1.776 11.185 178 HG3 PRO 29 HG1 PRO 29 5.704 -1.094 11.014 179 HD2 PRO 29 HD2 PRO 29 3.099 0.006 10.023 180 HD3 PRO 29 HD1 PRO 29 4.416 0.838 10.877 181 H TYR 30 HN TYR 30 5.124 0.634 6.246 182 HA TYR 30 HA TYR 30 3.969 -1.290 4.355 183 HB2 TYR 30 HB2 TYR 30 2.903 1.525 4.427 184 HB3 TYR 30 HB1 TYR 30 2.197 0.110 3.673 185 HD1 TYR 30 HD1 TYR 30 1.789 -1.831 5.655 186 HD2 TYR 30 HD2 TYR 30 1.600 2.391 6.108 187 HE1 TYR 30 HE1 TYR 30 0.317 -2.120 7.603 188 HE2 TYR 30 HE2 TYR 30 0.128 2.112 8.066 189 HH TYR 30 HH TYR 30 -0.332 -0.864 9.616 190 H CYS 31 HN CYS 31 5.555 1.726 5.096 191 HA CYS 31 HA CYS 31 7.261 1.494 2.807 192 HB2 CYS 31 HB2 CYS 31 5.327 2.882 1.978 193 HB3 CYS 31 HB1 CYS 31 5.804 4.102 3.153 194 H GLY 32 HN GLY 32 8.825 1.124 4.215 195 HA2 GLY 32 HA2 GLY 32 10.559 3.016 5.056 196 HA3 GLY 32 HA1 GLY 32 9.440 2.891 6.413 197 H ALA 33 HN ALA 33 8.829 0.399 6.694 198 HA ALA 33 HA ALA 33 10.810 -1.571 6.315 199 HB1 ALA 33 HB1 ALA 33 10.689 -0.456 9.133 200 HB2 ALA 33 HB2 ALA 33 12.050 -0.292 8.024 201 HB3 ALA 33 HB3 ALA 33 11.587 -1.886 8.621 202 H GLY 34 HN GLY 34 9.007 -2.660 5.616 203 HA2 GLY 34 HA2 GLY 34 7.712 -4.341 7.434 204 HA3 GLY 34 HA1 GLY 34 6.621 -3.010 7.076 205 H GLN 35 HN GLN 35 5.933 -2.684 4.903 206 HA GLN 35 HA GLN 35 6.318 -4.970 3.097 207 HB2 GLN 35 HB2 GLN 35 3.623 -3.717 3.702 208 HB3 GLN 35 HB1 GLN 35 3.925 -5.020 2.563 209 HG2 GLN 35 HG2 GLN 35 4.715 -6.405 4.494 210 HG3 GLN 35 HG1 GLN 35 4.159 -5.116 5.560 211 HE21 GLN 35 HE21 GLN 35 3.205 -7.641 3.370 212 HE22 GLN 35 HE22 GLN 35 1.535 -7.670 3.809 213 H CYS 36 HN CYS 36 7.836 -3.079 2.452 214 HA CYS 36 HA CYS 36 6.540 -1.001 0.882 215 HB2 CYS 36 HB2 CYS 36 8.463 -0.440 2.267 216 HB3 CYS 36 HB1 CYS 36 9.452 -1.611 1.406 217 H GLN 37 HN GLN 37 5.655 -1.812 -0.999 218 HA GLN 37 HA GLN 37 7.329 -3.477 -2.728 219 HB2 GLN 37 HB2 GLN 37 4.875 -3.996 -2.144 220 HB3 GLN 37 HB1 GLN 37 4.472 -2.696 -3.254 221 HG2 GLN 37 HG2 GLN 37 5.973 -4.004 -4.919 222 HG3 GLN 37 HG1 GLN 37 5.694 -5.358 -3.827 223 HE21 GLN 37 HE21 GLN 37 3.679 -6.294 -3.732 224 HE22 GLN 37 HE22 GLN 37 2.416 -5.926 -4.850 225 H SER 38 HN SER 38 5.340 -0.517 -2.924 226 HA SER 38 HA SER 38 6.181 0.175 -5.553 227 HB2 SER 38 HB2 SER 38 4.773 1.836 -3.453 228 HB3 SER 38 HB1 SER 38 4.959 2.293 -5.144 229 HG SER 38 HG SER 38 3.428 0.210 -4.025 230 H GLN 39 HN GLN 39 6.368 2.839 -3.380 231 HA GLN 39 HA GLN 39 9.167 3.257 -4.120 232 HB2 GLN 39 HB2 GLN 39 6.989 5.066 -3.101 233 HB3 GLN 39 HB1 GLN 39 8.672 5.573 -3.091 234 HG2 GLN 39 HG2 GLN 39 8.783 5.249 -5.512 235 HG3 GLN 39 HG1 GLN 39 7.093 4.744 -5.517 236 HE21 GLN 39 HE21 GLN 39 9.294 7.408 -5.166 237 HE22 GLN 39 HE22 GLN 39 8.118 8.665 -5.308 238 H CYS 40 HN CYS 40 10.741 3.921 -2.577 239 HA CYS 40 HA CYS 40 10.138 3.487 0.246 240 HB2 CYS 40 HB2 CYS 40 11.507 1.559 -1.364 241 HB3 CYS 40 HB1 CYS 40 12.652 2.239 -0.213 Start of MODEL 13 1 H1 PHE 1 HT1 PHE 1 -5.752 -1.527 1.061 2 H2 PHE 1 HT2 PHE 1 -7.368 -2.002 0.918 3 H3 PHE 1 HT3 PHE 1 -6.292 -2.937 1.828 4 HA PHE 1 HA PHE 1 -7.735 -1.637 3.248 5 HB2 PHE 1 HB2 PHE 1 -4.866 -0.679 3.288 6 HB3 PHE 1 HB1 PHE 1 -5.989 -0.605 4.639 7 HD1 PHE 1 HD1 PHE 1 -6.508 -2.561 5.929 8 HD2 PHE 1 HD2 PHE 1 -3.897 -2.798 2.576 9 HE1 PHE 1 HE1 PHE 1 -5.765 -4.785 6.672 10 HE2 PHE 1 HE2 PHE 1 -3.146 -5.022 3.317 11 HZ PHE 1 HZ PHE 1 -4.082 -6.019 5.365 12 H GLN 2 HN GLN 2 -5.511 0.467 1.506 13 HA GLN 2 HA GLN 2 -7.593 2.488 1.150 14 HB2 GLN 2 HB2 GLN 2 -4.951 2.976 2.530 15 HB3 GLN 2 HB1 GLN 2 -5.872 4.275 1.785 16 HG2 GLN 2 HG2 GLN 2 -7.755 3.788 3.264 17 HG3 GLN 2 HG1 GLN 2 -6.829 2.488 4.012 18 HE21 GLN 2 HE21 GLN 2 -7.196 5.925 3.674 19 HE22 GLN 2 HE22 GLN 2 -6.174 6.370 4.994 20 H CYS 3 HN CYS 3 -5.069 0.680 -0.013 21 HA CYS 3 HA CYS 3 -4.295 2.533 -2.143 22 HB2 CYS 3 HB2 CYS 3 -2.524 1.344 -0.897 23 HB3 CYS 3 HB1 CYS 3 -3.212 -0.196 -1.393 24 H GLY 4 HN GLY 4 -3.996 1.432 -4.356 25 HA2 GLY 4 HA2 GLY 4 -6.448 0.698 -5.454 26 HA3 GLY 4 HA1 GLY 4 -4.894 0.464 -6.232 27 H ARG 5 HN ARG 5 -3.918 -1.332 -4.127 28 HA ARG 5 HA ARG 5 -5.357 -3.746 -4.947 29 HB2 ARG 5 HB2 ARG 5 -2.599 -3.110 -4.647 30 HB3 ARG 5 HB1 ARG 5 -2.984 -4.331 -3.442 31 HG2 ARG 5 HG2 ARG 5 -3.888 -5.775 -5.195 32 HG3 ARG 5 HG1 ARG 5 -3.487 -4.552 -6.402 33 HD2 ARG 5 HD2 ARG 5 -1.121 -4.750 -5.820 34 HD3 ARG 5 HD1 ARG 5 -1.519 -5.962 -4.602 35 HE ARG 5 HE ARG 5 -2.510 -6.761 -7.124 36 HH11 ARG 5 HH11 ARG 5 0.529 -6.486 -5.384 37 HH12 ARG 5 HH12 ARG 5 1.294 -7.749 -6.290 38 HH21 ARG 5 HH21 ARG 5 0.152 -8.836 -7.937 39 HH22 ARG 5 HH22 ARG 5 -1.488 -8.410 -8.296 40 H GLN 6 HN GLN 6 -5.560 -5.503 -3.246 41 HA GLN 6 HA GLN 6 -6.374 -6.317 -1.292 42 HB2 GLN 6 HB2 GLN 6 -4.467 -4.545 -0.380 43 HB3 GLN 6 HB1 GLN 6 -5.918 -4.004 0.447 44 HG2 GLN 6 HG2 GLN 6 -5.035 -6.880 0.449 45 HG3 GLN 6 HG1 GLN 6 -4.477 -5.714 1.645 46 HE21 GLN 6 HE21 GLN 6 -5.954 -4.875 3.145 47 HE22 GLN 6 HE22 GLN 6 -7.465 -5.649 3.464 48 H ALA 7 HN ALA 7 -7.064 -2.960 -1.995 49 HA ALA 7 HA ALA 7 -9.687 -3.012 -0.746 50 HB1 ALA 7 HB1 ALA 7 -8.264 -1.034 -0.479 51 HB2 ALA 7 HB2 ALA 7 -9.756 -0.639 -1.332 52 HB3 ALA 7 HB3 ALA 7 -8.249 -0.815 -2.229 53 H GLY 8 HN GLY 8 -8.197 -3.019 -3.896 54 HA2 GLY 8 HA2 GLY 8 -9.432 -4.206 -5.672 55 HA3 GLY 8 HA1 GLY 8 -10.856 -3.322 -5.150 56 H GLY 9 HN GLY 9 -9.501 -0.786 -4.821 57 HA2 GLY 9 HA2 GLY 9 -8.143 0.071 -7.112 58 HA3 GLY 9 HA1 GLY 9 -9.859 0.272 -7.415 59 H ALA 10 HN ALA 10 -7.888 0.771 -4.481 60 HA ALA 10 HA ALA 10 -9.109 3.416 -4.172 61 HB1 ALA 10 HB1 ALA 10 -9.239 1.864 -2.284 62 HB2 ALA 10 HB2 ALA 10 -8.317 3.308 -1.868 63 HB3 ALA 10 HB3 ALA 10 -7.479 1.796 -2.215 64 H ARG 11 HN ARG 11 -7.435 4.967 -2.880 65 HA ARG 11 HA ARG 11 -4.824 4.959 -4.219 66 HB2 ARG 11 HB2 ARG 11 -6.835 7.208 -4.305 67 HB3 ARG 11 HB1 ARG 11 -5.121 7.471 -4.587 68 HG2 ARG 11 HG2 ARG 11 -5.198 5.919 -6.481 69 HG3 ARG 11 HG1 ARG 11 -6.922 5.673 -6.201 70 HD2 ARG 11 HD2 ARG 11 -6.784 7.258 -7.937 71 HD3 ARG 11 HD1 ARG 11 -7.184 8.178 -6.487 72 HE ARG 11 HE ARG 11 -4.386 8.122 -6.830 73 HH11 ARG 11 HH11 ARG 11 -7.230 9.602 -8.266 74 HH12 ARG 11 HH12 ARG 11 -6.360 10.984 -8.842 75 HH21 ARG 11 HH21 ARG 11 -3.268 9.940 -7.595 76 HH22 ARG 11 HH22 ARG 11 -4.120 11.174 -8.463 77 H CYS 12 HN CYS 12 -3.173 5.943 -3.096 78 HA CYS 12 HA CYS 12 -3.442 6.092 -0.279 79 HB2 CYS 12 HB2 CYS 12 -1.166 6.810 -2.124 80 HB3 CYS 12 HB1 CYS 12 -1.033 6.745 -0.371 81 H SER 13 HN SER 13 -2.086 8.030 0.829 82 HA SER 13 HA SER 13 -3.793 10.236 0.933 83 HB2 SER 13 HB2 SER 13 -2.174 9.450 2.748 84 HB3 SER 13 HB1 SER 13 -0.903 10.273 1.844 85 HG SER 13 HG SER 13 -3.254 11.472 2.893 86 H ASN 14 HN ASN 14 -0.524 10.086 -0.376 87 HA ASN 14 HA ASN 14 -1.202 12.080 -2.406 88 HB2 ASN 14 HB2 ASN 14 1.089 12.293 -0.444 89 HB3 ASN 14 HB1 ASN 14 1.072 13.172 -1.970 90 HD21 ASN 14 HD21 ASN 14 -0.402 14.842 -2.267 91 HD22 ASN 14 HD22 ASN 14 -1.236 15.576 -0.944 92 H GLY 15 HN GLY 15 -0.832 9.209 -2.417 93 HA2 GLY 15 HA2 GLY 15 -0.037 7.863 -4.181 94 HA3 GLY 15 HA1 GLY 15 1.237 9.044 -4.478 95 H LEU 16 HN LEU 16 2.613 9.380 -2.407 96 HA LEU 16 HA LEU 16 4.498 8.501 -1.448 97 HB2 LEU 16 HB2 LEU 16 3.728 7.167 0.681 98 HB3 LEU 16 HB1 LEU 16 3.445 8.886 0.523 99 HG LEU 16 HG LEU 16 1.104 8.006 -0.433 100 HD11 LEU 16 HD11 LEU 16 1.311 5.705 -0.270 101 HD12 LEU 16 HD12 LEU 16 0.416 6.147 1.184 102 HD13 LEU 16 HD13 LEU 16 2.135 5.791 1.285 103 HD21 LEU 16 HD21 LEU 16 1.845 8.302 2.462 104 HD22 LEU 16 HD22 LEU 16 0.201 8.308 1.834 105 HD23 LEU 16 HD23 LEU 16 1.329 9.580 1.362 106 H CYS 17 HN CYS 17 3.121 5.639 -0.204 107 HA CYS 17 HA CYS 17 4.464 3.925 -2.166 108 HB2 CYS 17 HB2 CYS 17 4.883 3.154 0.659 109 HB3 CYS 17 HB1 CYS 17 6.010 3.099 -0.692 110 H CYS 18 HN CYS 18 3.761 1.681 -2.047 111 HA CYS 18 HA CYS 18 1.347 1.196 -0.461 112 HB2 CYS 18 HB2 CYS 18 0.473 2.008 -2.556 113 HB3 CYS 18 HB1 CYS 18 1.523 0.935 -3.473 114 H SER 19 HN SER 19 1.401 -0.686 0.503 115 HA SER 19 HA SER 19 3.536 -2.516 0.229 116 HB2 SER 19 HB2 SER 19 0.910 -2.761 1.697 117 HB3 SER 19 HB1 SER 19 2.261 -3.875 1.874 118 HG SER 19 HG SER 19 2.209 -2.209 3.485 119 H GLN 20 HN GLN 20 3.442 -4.758 -0.184 120 HA GLN 20 HA GLN 20 2.759 -5.578 -2.645 121 HB2 GLN 20 HB2 GLN 20 3.062 -7.168 -0.132 122 HB3 GLN 20 HB1 GLN 20 2.798 -7.948 -1.686 123 HG2 GLN 20 HG2 GLN 20 4.826 -6.908 -2.559 124 HG3 GLN 20 HG1 GLN 20 5.087 -6.112 -1.007 125 HE21 GLN 20 HE21 GLN 20 5.746 -7.332 0.763 126 HE22 GLN 20 HE22 GLN 20 6.401 -8.921 0.592 127 H PHE 21 HN PHE 21 0.612 -5.826 0.105 128 HA PHE 21 HA PHE 21 -1.398 -7.261 -1.409 129 HB2 PHE 21 HB2 PHE 21 -1.308 -6.207 1.408 130 HB3 PHE 21 HB1 PHE 21 -2.761 -6.917 0.716 131 HD1 PHE 21 HD1 PHE 21 -2.899 -9.262 0.242 132 HD2 PHE 21 HD2 PHE 21 0.612 -7.546 1.912 133 HE1 PHE 21 HE1 PHE 21 -2.098 -11.517 0.853 134 HE2 PHE 21 HE2 PHE 21 1.428 -9.793 2.530 135 HZ PHE 21 HZ PHE 21 0.070 -11.780 1.998 136 H GLY 22 HN GLY 22 -0.797 -4.048 -0.265 137 HA2 GLY 22 HA2 GLY 22 -1.738 -2.302 -1.816 138 HA3 GLY 22 HA1 GLY 22 -3.283 -3.087 -1.525 139 H TYR 23 HN TYR 23 -0.549 -1.996 0.467 140 HA TYR 23 HA TYR 23 -2.483 -0.588 2.191 141 HB2 TYR 23 HB2 TYR 23 -0.950 -2.634 3.042 142 HB3 TYR 23 HB1 TYR 23 0.180 -1.312 3.302 143 HD1 TYR 23 HD1 TYR 23 -1.628 -3.287 5.157 144 HD2 TYR 23 HD2 TYR 23 -1.617 0.866 4.212 145 HE1 TYR 23 HE1 TYR 23 -2.754 -2.802 7.288 146 HE2 TYR 23 HE2 TYR 23 -2.744 1.358 6.342 147 HH TYR 23 HH TYR 23 -4.162 0.205 7.986 148 H CYS 24 HN CYS 24 -2.265 1.509 2.364 149 HA CYS 24 HA CYS 24 -0.110 2.850 0.978 150 HB2 CYS 24 HB2 CYS 24 -2.662 3.771 2.266 151 HB3 CYS 24 HB1 CYS 24 -1.472 4.903 1.630 152 H GLY 25 HN GLY 25 1.524 3.941 1.820 153 HA2 GLY 25 HA2 GLY 25 1.547 4.994 4.465 154 HA3 GLY 25 HA1 GLY 25 2.483 3.518 4.362 155 H SER 26 HN SER 26 3.377 6.083 5.023 156 HA SER 26 HA SER 26 5.566 6.423 3.095 157 HB2 SER 26 HB2 SER 26 5.312 8.960 3.355 158 HB3 SER 26 HB1 SER 26 4.091 8.181 2.365 159 HG SER 26 HG SER 26 3.691 9.700 4.447 160 H THR 27 HN THR 27 4.510 5.863 6.086 161 HA THR 27 HA THR 27 6.913 6.762 7.419 162 HB THR 27 HB THR 27 5.829 8.674 8.056 163 HG1 THR 27 HG1 THR 27 4.367 7.688 10.059 164 HG21 THR 27 HG21 THR 27 3.715 7.969 6.776 165 HG22 THR 27 HG22 THR 27 3.516 9.089 8.122 166 HG23 THR 27 HG23 THR 27 3.119 7.384 8.331 167 HA PRO 28 HA PRO 28 4.754 3.361 10.039 168 HB2 PRO 28 HB2 PRO 28 2.517 2.186 8.672 169 HB3 PRO 28 HB1 PRO 28 2.468 3.274 10.069 170 HG2 PRO 28 HG2 PRO 28 1.463 3.929 7.622 171 HG3 PRO 28 HG1 PRO 28 2.062 5.116 8.797 172 HD2 PRO 28 HD2 PRO 28 3.549 3.889 6.465 173 HD3 PRO 28 HD1 PRO 28 3.394 5.608 6.909 174 HA PRO 29 HA PRO 29 6.503 -0.461 8.355 175 HB2 PRO 29 HB2 PRO 29 4.753 -2.484 9.056 176 HB3 PRO 29 HB1 PRO 29 5.933 -1.754 10.160 177 HG2 PRO 29 HG2 PRO 29 3.029 -1.150 9.844 178 HG3 PRO 29 HG1 PRO 29 3.983 -1.364 11.329 179 HD2 PRO 29 HD2 PRO 29 3.375 1.068 10.488 180 HD3 PRO 29 HD1 PRO 29 4.988 0.721 11.141 181 H TYR 30 HN TYR 30 5.228 0.920 6.409 182 HA TYR 30 HA TYR 30 4.361 -1.176 4.547 183 HB2 TYR 30 HB2 TYR 30 3.036 1.519 4.423 184 HB3 TYR 30 HB1 TYR 30 2.507 0.005 3.715 185 HD1 TYR 30 HD1 TYR 30 2.006 -1.871 5.602 186 HD2 TYR 30 HD2 TYR 30 1.778 2.334 6.168 187 HE1 TYR 30 HE1 TYR 30 0.479 -2.224 7.499 188 HE2 TYR 30 HE2 TYR 30 0.251 1.995 8.071 189 HH TYR 30 HH TYR 30 -1.310 0.292 8.902 190 H CYS 31 HN CYS 31 5.801 1.873 5.295 191 HA CYS 31 HA CYS 31 7.239 1.842 2.775 192 HB2 CYS 31 HB2 CYS 31 5.417 3.608 2.744 193 HB3 CYS 31 HB1 CYS 31 6.364 4.434 3.979 194 H GLY 32 HN GLY 32 7.308 1.880 6.042 195 HA2 GLY 32 HA2 GLY 32 10.136 2.655 5.987 196 HA3 GLY 32 HA1 GLY 32 9.070 3.152 7.297 197 H ALA 33 HN ALA 33 10.236 0.293 5.584 198 HA ALA 33 HA ALA 33 10.872 -1.783 6.204 199 HB1 ALA 33 HB1 ALA 33 11.618 -2.252 8.473 200 HB2 ALA 33 HB2 ALA 33 10.867 -0.766 9.053 201 HB3 ALA 33 HB3 ALA 33 12.235 -0.687 7.944 202 H GLY 34 HN GLY 34 9.283 -3.052 5.644 203 HA2 GLY 34 HA2 GLY 34 7.673 -4.398 7.462 204 HA3 GLY 34 HA1 GLY 34 6.700 -3.090 6.801 205 H GLN 35 HN GLN 35 6.285 -3.026 4.569 206 HA GLN 35 HA GLN 35 6.985 -5.295 2.908 207 HB2 GLN 35 HB2 GLN 35 4.454 -5.529 2.285 208 HB3 GLN 35 HB1 GLN 35 5.070 -6.352 3.707 209 HG2 GLN 35 HG2 GLN 35 4.170 -4.579 5.130 210 HG3 GLN 35 HG1 GLN 35 3.565 -3.738 3.705 211 HE21 GLN 35 HE21 GLN 35 3.167 -6.460 5.819 212 HE22 GLN 35 HE22 GLN 35 1.594 -6.922 5.270 213 H CYS 36 HN CYS 36 8.104 -3.237 2.209 214 HA CYS 36 HA CYS 36 6.509 -1.329 0.728 215 HB2 CYS 36 HB2 CYS 36 8.787 -0.379 0.153 216 HB3 CYS 36 HB1 CYS 36 8.377 -0.421 1.865 217 H GLN 37 HN GLN 37 5.774 -1.725 -1.252 218 HA GLN 37 HA GLN 37 7.320 -3.419 -3.074 219 HB2 GLN 37 HB2 GLN 37 4.835 -3.831 -2.522 220 HB3 GLN 37 HB1 GLN 37 4.514 -2.433 -3.538 221 HG2 GLN 37 HG2 GLN 37 5.716 -3.586 -5.386 222 HG3 GLN 37 HG1 GLN 37 5.817 -5.014 -4.360 223 HE21 GLN 37 HE21 GLN 37 4.008 -6.253 -4.023 224 HE22 GLN 37 HE22 GLN 37 2.536 -6.035 -4.901 225 H SER 38 HN SER 38 5.587 -0.306 -2.965 226 HA SER 38 HA SER 38 6.593 0.539 -5.526 227 HB2 SER 38 HB2 SER 38 4.946 1.984 -3.447 228 HB3 SER 38 HB1 SER 38 5.366 2.660 -5.021 229 HG SER 38 HG SER 38 3.261 1.409 -4.659 230 H GLN 39 HN GLN 39 6.937 1.799 -2.239 231 HA GLN 39 HA GLN 39 9.658 2.679 -2.869 232 HB2 GLN 39 HB2 GLN 39 7.422 4.433 -1.892 233 HB3 GLN 39 HB1 GLN 39 9.090 4.810 -1.491 234 HG2 GLN 39 HG2 GLN 39 9.622 4.854 -3.899 235 HG3 GLN 39 HG1 GLN 39 7.918 4.573 -4.252 236 HE21 GLN 39 HE21 GLN 39 10.268 6.840 -3.064 237 HE22 GLN 39 HE22 GLN 39 9.259 8.240 -3.147 238 H CYS 40 HN CYS 40 11.074 2.707 -1.153 239 HA CYS 40 HA CYS 40 10.043 1.799 1.448 240 HB2 CYS 40 HB2 CYS 40 11.332 0.106 -0.207 241 HB3 CYS 40 HB1 CYS 40 12.716 0.814 0.620 Start of MODEL 14 1 H1 PHE 1 HT1 PHE 1 -7.251 -2.053 0.633 2 H2 PHE 1 HT2 PHE 1 -6.258 -2.845 1.750 3 H3 PHE 1 HT3 PHE 1 -5.651 -1.546 0.853 4 HA PHE 1 HA PHE 1 -7.819 -1.390 2.851 5 HB2 PHE 1 HB2 PHE 1 -4.952 -0.440 3.011 6 HB3 PHE 1 HB1 PHE 1 -6.189 -0.140 4.226 7 HD1 PHE 1 HD1 PHE 1 -3.965 -2.637 2.744 8 HD2 PHE 1 HD2 PHE 1 -6.916 -1.892 5.719 9 HE1 PHE 1 HE1 PHE 1 -3.370 -4.749 3.858 10 HE2 PHE 1 HE2 PHE 1 -6.325 -4.001 6.839 11 HZ PHE 1 HZ PHE 1 -4.551 -5.434 5.909 12 H GLN 2 HN GLN 2 -5.617 0.339 0.726 13 HA GLN 2 HA GLN 2 -7.642 2.378 0.222 14 HB2 GLN 2 HB2 GLN 2 -4.896 2.974 1.327 15 HB3 GLN 2 HB1 GLN 2 -5.829 4.175 0.448 16 HG2 GLN 2 HG2 GLN 2 -6.954 2.778 2.849 17 HG3 GLN 2 HG1 GLN 2 -5.918 4.195 3.007 18 HE21 GLN 2 HE21 GLN 2 -9.003 2.997 1.948 19 HE22 GLN 2 HE22 GLN 2 -9.771 4.536 1.776 20 H CYS 3 HN CYS 3 -5.091 0.411 -0.817 21 HA CYS 3 HA CYS 3 -5.290 1.426 -3.538 22 HB2 CYS 3 HB2 CYS 3 -3.420 2.707 -3.136 23 HB3 CYS 3 HB1 CYS 3 -2.862 1.676 -1.831 24 H GLY 4 HN GLY 4 -4.293 -0.041 -5.122 25 HA2 GLY 4 HA2 GLY 4 -3.652 -2.094 -5.959 26 HA3 GLY 4 HA1 GLY 4 -3.381 -2.642 -4.317 27 H ARG 5 HN ARG 5 -4.314 -4.589 -4.460 28 HA ARG 5 HA ARG 5 -7.079 -4.801 -5.386 29 HB2 ARG 5 HB2 ARG 5 -6.654 -7.289 -5.261 30 HB3 ARG 5 HB1 ARG 5 -5.676 -6.416 -6.429 31 HG2 ARG 5 HG2 ARG 5 -3.950 -6.341 -4.452 32 HG3 ARG 5 HG1 ARG 5 -4.871 -7.744 -3.895 33 HD2 ARG 5 HD2 ARG 5 -4.568 -8.763 -6.119 34 HD3 ARG 5 HD1 ARG 5 -3.557 -7.395 -6.577 35 HE ARG 5 HE ARG 5 -2.572 -8.584 -4.208 36 HH11 ARG 5 HH11 ARG 5 -2.719 -9.184 -7.665 37 HH12 ARG 5 HH12 ARG 5 -1.283 -10.152 -7.673 38 HH21 ARG 5 HH21 ARG 5 -0.139 -10.529 -5.737 39 HH22 ARG 5 HH22 ARG 5 -0.695 -9.852 -4.243 40 H GLN 6 HN GLN 6 -5.346 -4.572 -2.464 41 HA GLN 6 HA GLN 6 -6.877 -6.233 -0.750 42 HB2 GLN 6 HB2 GLN 6 -4.638 -4.744 -0.427 43 HB3 GLN 6 HB1 GLN 6 -5.812 -3.695 0.351 44 HG2 GLN 6 HG2 GLN 6 -5.355 -6.596 1.076 45 HG3 GLN 6 HG1 GLN 6 -4.649 -5.225 1.927 46 HE21 GLN 6 HE21 GLN 6 -7.509 -7.081 1.343 47 HE22 GLN 6 HE22 GLN 6 -8.479 -6.374 2.585 48 H ALA 7 HN ALA 7 -7.402 -3.177 -2.203 49 HA ALA 7 HA ALA 7 -9.823 -2.654 -0.628 50 HB1 ALA 7 HB1 ALA 7 -8.186 -0.795 -2.341 51 HB2 ALA 7 HB2 ALA 7 -8.141 -0.885 -0.581 52 HB3 ALA 7 HB3 ALA 7 -9.609 -0.347 -1.398 53 H GLY 8 HN GLY 8 -8.521 -3.144 -3.816 54 HA2 GLY 8 HA2 GLY 8 -9.992 -4.267 -5.439 55 HA3 GLY 8 HA1 GLY 8 -11.257 -3.155 -4.937 56 H GLY 9 HN GLY 9 -10.084 -0.746 -4.970 57 HA2 GLY 9 HA2 GLY 9 -8.420 -0.112 -7.136 58 HA3 GLY 9 HA1 GLY 9 -10.084 -0.031 -7.692 59 H ALA 10 HN ALA 10 -7.864 1.200 -5.222 60 HA ALA 10 HA ALA 10 -9.357 3.739 -5.229 61 HB1 ALA 10 HB1 ALA 10 -8.998 3.955 -2.820 62 HB2 ALA 10 HB2 ALA 10 -8.188 2.389 -2.792 63 HB3 ALA 10 HB3 ALA 10 -9.902 2.487 -3.194 64 H ARG 11 HN ARG 11 -7.484 4.949 -3.296 65 HA ARG 11 HA ARG 11 -4.934 4.914 -4.736 66 HB2 ARG 11 HB2 ARG 11 -4.883 7.445 -4.734 67 HB3 ARG 11 HB1 ARG 11 -6.056 6.743 -5.833 68 HG2 ARG 11 HG2 ARG 11 -7.840 7.219 -4.200 69 HG3 ARG 11 HG1 ARG 11 -6.645 7.967 -3.141 70 HD2 ARG 11 HD2 ARG 11 -7.114 8.876 -5.972 71 HD3 ARG 11 HD1 ARG 11 -8.006 9.534 -4.601 72 HE ARG 11 HE ARG 11 -5.300 9.734 -3.993 73 HH11 ARG 11 HH11 ARG 11 -7.505 11.087 -6.369 74 HH12 ARG 11 HH12 ARG 11 -6.597 12.552 -6.545 75 HH21 ARG 11 HH21 ARG 11 -4.130 11.659 -4.240 76 HH22 ARG 11 HH22 ARG 11 -4.689 12.874 -5.340 77 H CYS 12 HN CYS 12 -3.165 5.904 -3.590 78 HA CYS 12 HA CYS 12 -3.110 5.196 -0.853 79 HB2 CYS 12 HB2 CYS 12 -1.158 6.490 -2.734 80 HB3 CYS 12 HB1 CYS 12 -0.772 6.302 -1.027 81 H SER 13 HN SER 13 -1.710 6.892 0.625 82 HA SER 13 HA SER 13 -3.581 8.921 1.353 83 HB2 SER 13 HB2 SER 13 -0.937 7.992 2.456 84 HB3 SER 13 HB1 SER 13 -1.638 9.502 3.041 85 HG SER 13 HG SER 13 -3.588 7.765 3.069 86 H ASN 14 HN ASN 14 -0.195 9.104 0.396 87 HA ASN 14 HA ASN 14 -0.689 11.583 -1.081 88 HB2 ASN 14 HB2 ASN 14 1.401 11.244 1.088 89 HB3 ASN 14 HB1 ASN 14 1.461 12.534 -0.108 90 HD21 ASN 14 HD21 ASN 14 -0.075 14.180 -0.037 91 HD22 ASN 14 HD22 ASN 14 -1.035 14.474 1.368 92 H GLY 15 HN GLY 15 1.938 12.110 -1.871 93 HA2 GLY 15 HA2 GLY 15 2.366 10.028 -3.810 94 HA3 GLY 15 HA1 GLY 15 3.329 11.489 -3.617 95 H LEU 16 HN LEU 16 2.600 8.494 -1.894 96 HA LEU 16 HA LEU 16 5.405 8.304 -1.032 97 HB2 LEU 16 HB2 LEU 16 4.185 6.784 0.807 98 HB3 LEU 16 HB1 LEU 16 4.378 8.512 0.992 99 HG LEU 16 HG LEU 16 1.985 8.474 -0.240 100 HD11 LEU 16 HD11 LEU 16 2.110 5.901 1.303 101 HD12 LEU 16 HD12 LEU 16 1.795 6.102 -0.422 102 HD13 LEU 16 HD13 LEU 16 0.628 6.690 0.763 103 HD21 LEU 16 HD21 LEU 16 2.665 9.517 1.946 104 HD22 LEU 16 HD22 LEU 16 2.205 7.993 2.709 105 HD23 LEU 16 HD23 LEU 16 1.005 8.943 1.838 106 H CYS 17 HN CYS 17 3.688 5.534 -0.162 107 HA CYS 17 HA CYS 17 4.312 4.088 -2.635 108 HB2 CYS 17 HB2 CYS 17 5.541 2.347 -1.407 109 HB3 CYS 17 HB1 CYS 17 6.303 3.910 -1.142 110 H CYS 18 HN CYS 18 3.639 1.667 -2.298 111 HA CYS 18 HA CYS 18 1.193 1.402 -0.709 112 HB2 CYS 18 HB2 CYS 18 0.507 2.134 -2.970 113 HB3 CYS 18 HB1 CYS 18 1.375 0.773 -3.669 114 H SER 19 HN SER 19 1.288 -0.416 0.431 115 HA SER 19 HA SER 19 3.388 -2.293 0.184 116 HB2 SER 19 HB2 SER 19 0.842 -2.370 1.799 117 HB3 SER 19 HB1 SER 19 2.110 -3.586 1.924 118 HG SER 19 HG SER 19 3.287 -2.240 3.034 119 H GLN 20 HN GLN 20 3.268 -4.552 -0.085 120 HA GLN 20 HA GLN 20 2.587 -5.522 -2.463 121 HB2 GLN 20 HB2 GLN 20 2.673 -7.001 0.145 122 HB3 GLN 20 HB1 GLN 20 2.519 -7.824 -1.400 123 HG2 GLN 20 HG2 GLN 20 4.648 -6.897 -2.126 124 HG3 GLN 20 HG1 GLN 20 4.796 -6.020 -0.604 125 HE21 GLN 20 HE21 GLN 20 4.938 -9.123 -2.155 126 HE22 GLN 20 HE22 GLN 20 5.686 -9.970 -0.849 127 H PHE 21 HN PHE 21 0.377 -5.624 0.266 128 HA PHE 21 HA PHE 21 -1.694 -6.929 -1.289 129 HB2 PHE 21 HB2 PHE 21 -1.626 -5.899 1.546 130 HB3 PHE 21 HB1 PHE 21 -3.061 -6.606 0.817 131 HD1 PHE 21 HD1 PHE 21 0.266 -7.244 2.136 132 HD2 PHE 21 HD2 PHE 21 -3.181 -8.963 0.335 133 HE1 PHE 21 HE1 PHE 21 1.055 -9.488 2.786 134 HE2 PHE 21 HE2 PHE 21 -2.404 -11.214 0.980 135 HZ PHE 21 HZ PHE 21 -0.283 -11.476 2.208 136 H GLY 22 HN GLY 22 -1.051 -3.812 0.130 137 HA2 GLY 22 HA2 GLY 22 -1.868 -2.006 -1.542 138 HA3 GLY 22 HA1 GLY 22 -3.441 -2.664 -1.111 139 H TYR 23 HN TYR 23 -0.527 -1.932 0.793 140 HA TYR 23 HA TYR 23 -2.198 -0.177 2.475 141 HB2 TYR 23 HB2 TYR 23 -1.057 -2.471 3.366 142 HB3 TYR 23 HB1 TYR 23 0.243 -1.332 3.695 143 HD1 TYR 23 HD1 TYR 23 -1.941 -3.004 5.434 144 HD2 TYR 23 HD2 TYR 23 -1.240 1.092 4.509 145 HE1 TYR 23 HE1 TYR 23 -3.089 -2.343 7.508 146 HE2 TYR 23 HE2 TYR 23 -2.389 1.763 6.582 147 HH TYR 23 HH TYR 23 -4.054 0.845 8.145 148 H CYS 24 HN CYS 24 -1.719 1.839 2.031 149 HA CYS 24 HA CYS 24 0.962 2.576 1.182 150 HB2 CYS 24 HB2 CYS 24 -1.405 4.405 1.457 151 HB3 CYS 24 HB1 CYS 24 0.039 4.629 0.478 152 H GLY 25 HN GLY 25 2.151 4.242 2.077 153 HA2 GLY 25 HA2 GLY 25 1.461 5.595 4.468 154 HA3 GLY 25 HA1 GLY 25 2.480 4.208 4.827 155 H SER 26 HN SER 26 3.590 6.325 5.603 156 HA SER 26 HA SER 26 5.809 6.826 3.781 157 HB2 SER 26 HB2 SER 26 4.222 8.660 3.266 158 HB3 SER 26 HB1 SER 26 4.219 9.127 4.962 159 HG SER 26 HG SER 26 5.674 10.379 3.700 160 H THR 27 HN THR 27 4.787 5.825 6.601 161 HA THR 27 HA THR 27 7.151 6.616 8.077 162 HB THR 27 HB THR 27 6.098 8.308 9.139 163 HG1 THR 27 HG1 THR 27 4.619 6.243 10.424 164 HG21 THR 27 HG21 THR 27 3.293 7.309 8.998 165 HG22 THR 27 HG22 THR 27 4.057 7.806 7.489 166 HG23 THR 27 HG23 THR 27 3.917 8.949 8.824 167 HA PRO 28 HA PRO 28 5.117 2.878 10.330 168 HB2 PRO 28 HB2 PRO 28 2.789 1.905 8.933 169 HB3 PRO 28 HB1 PRO 28 2.841 2.749 10.489 170 HG2 PRO 28 HG2 PRO 28 1.678 3.799 8.270 171 HG3 PRO 28 HG1 PRO 28 2.395 4.782 9.563 172 HD2 PRO 28 HD2 PRO 28 3.662 3.923 6.957 173 HD3 PRO 28 HD1 PRO 28 3.583 5.551 7.673 174 HA PRO 29 HA PRO 29 6.652 -0.764 8.085 175 HB2 PRO 29 HB2 PRO 29 4.259 -2.416 8.731 176 HB3 PRO 29 HB1 PRO 29 5.968 -2.714 9.101 177 HG2 PRO 29 HG2 PRO 29 4.326 -2.006 11.018 178 HG3 PRO 29 HG1 PRO 29 5.958 -1.305 10.934 179 HD2 PRO 29 HD2 PRO 29 3.351 -0.104 10.078 180 HD3 PRO 29 HD1 PRO 29 4.672 0.628 11.013 181 H TYR 30 HN TYR 30 5.378 0.976 6.434 182 HA TYR 30 HA TYR 30 4.418 -0.735 4.256 183 HB2 TYR 30 HB2 TYR 30 3.157 1.973 4.661 184 HB3 TYR 30 HB1 TYR 30 2.572 0.620 3.708 185 HD1 TYR 30 HD1 TYR 30 1.895 2.491 6.508 186 HD2 TYR 30 HD2 TYR 30 2.148 -1.582 5.309 187 HE1 TYR 30 HE1 TYR 30 0.425 1.849 8.376 188 HE2 TYR 30 HE2 TYR 30 0.680 -2.233 7.171 189 HH TYR 30 HH TYR 30 0.003 -1.366 9.369 190 H CYS 31 HN CYS 31 5.819 2.195 5.496 191 HA CYS 31 HA CYS 31 7.517 2.478 3.175 192 HB2 CYS 31 HB2 CYS 31 5.329 4.261 3.632 193 HB3 CYS 31 HB1 CYS 31 6.844 5.121 3.879 194 H GLY 32 HN GLY 32 9.091 1.740 4.527 195 HA2 GLY 32 HA2 GLY 32 10.864 3.402 5.690 196 HA3 GLY 32 HA1 GLY 32 9.730 3.089 7.003 197 H ALA 33 HN ALA 33 9.092 0.659 7.060 198 HA ALA 33 HA ALA 33 10.980 -1.321 6.326 199 HB1 ALA 33 HB1 ALA 33 12.317 -0.306 8.136 200 HB2 ALA 33 HB2 ALA 33 11.817 -1.947 8.545 201 HB3 ALA 33 HB3 ALA 33 10.986 -0.568 9.263 202 H GLY 34 HN GLY 34 9.199 -2.381 5.588 203 HA2 GLY 34 HA2 GLY 34 7.826 -4.064 7.400 204 HA3 GLY 34 HA1 GLY 34 6.774 -2.749 6.902 205 H GLN 35 HN GLN 35 6.003 -2.658 4.808 206 HA GLN 35 HA GLN 35 6.636 -4.933 3.055 207 HB2 GLN 35 HB2 GLN 35 3.817 -3.945 3.565 208 HB3 GLN 35 HB1 GLN 35 4.289 -5.315 2.573 209 HG2 GLN 35 HG2 GLN 35 5.200 -6.371 4.677 210 HG3 GLN 35 HG1 GLN 35 4.407 -5.071 5.566 211 HE21 GLN 35 HE21 GLN 35 3.944 -7.922 3.628 212 HE22 GLN 35 HE22 GLN 35 2.272 -8.150 4.001 213 H CYS 36 HN CYS 36 7.869 -2.653 2.530 214 HA CYS 36 HA CYS 36 6.335 -0.886 0.842 215 HB2 CYS 36 HB2 CYS 36 8.619 0.113 0.371 216 HB3 CYS 36 HB1 CYS 36 8.106 0.121 2.054 217 H GLN 37 HN GLN 37 5.601 -1.652 -1.072 218 HA GLN 37 HA GLN 37 7.336 -3.317 -2.731 219 HB2 GLN 37 HB2 GLN 37 4.871 -3.836 -2.240 220 HB3 GLN 37 HB1 GLN 37 4.494 -2.523 -3.345 221 HG2 GLN 37 HG2 GLN 37 5.883 -3.743 -5.065 222 HG3 GLN 37 HG1 GLN 37 5.887 -5.111 -3.955 223 HE21 GLN 37 HE21 GLN 37 4.024 -6.292 -3.660 224 HE22 GLN 37 HE22 GLN 37 2.629 -6.114 -4.663 225 H SER 38 HN SER 38 5.450 -0.294 -2.977 226 HA SER 38 HA SER 38 6.419 0.360 -5.581 227 HB2 SER 38 HB2 SER 38 4.872 1.969 -3.551 228 HB3 SER 38 HB1 SER 38 5.278 2.568 -5.158 229 HG SER 38 HG SER 38 3.547 1.568 -5.779 230 H GLN 39 HN GLN 39 6.955 1.873 -2.431 231 HA GLN 39 HA GLN 39 9.688 2.551 -3.188 232 HB2 GLN 39 HB2 GLN 39 7.515 4.508 -2.915 233 HB3 GLN 39 HB1 GLN 39 8.929 4.886 -1.941 234 HG2 GLN 39 HG2 GLN 39 10.329 4.770 -3.944 235 HG3 GLN 39 HG1 GLN 39 8.903 4.399 -4.913 236 HE21 GLN 39 HE21 GLN 39 7.391 6.011 -5.316 237 HE22 GLN 39 HE22 GLN 39 7.744 7.685 -5.071 238 H CYS 40 HN CYS 40 11.088 2.866 -1.452 239 HA CYS 40 HA CYS 40 9.981 2.409 1.233 240 HB2 CYS 40 HB2 CYS 40 11.192 0.403 -0.102 241 HB3 CYS 40 HB1 CYS 40 12.602 1.154 0.637 Start of MODEL 15 1 H1 PHE 1 HT1 PHE 1 -7.597 -2.461 0.873 2 H2 PHE 1 HT2 PHE 1 -6.487 -3.230 1.890 3 H3 PHE 1 HT3 PHE 1 -6.001 -1.904 0.960 4 HA PHE 1 HA PHE 1 -7.971 -1.850 3.159 5 HB2 PHE 1 HB2 PHE 1 -5.179 -0.690 3.025 6 HB3 PHE 1 HB1 PHE 1 -6.290 -0.539 4.381 7 HD1 PHE 1 HD1 PHE 1 -6.751 -2.446 5.825 8 HD2 PHE 1 HD2 PHE 1 -3.954 -2.718 2.629 9 HE1 PHE 1 HE1 PHE 1 -5.839 -4.509 6.807 10 HE2 PHE 1 HE2 PHE 1 -3.034 -4.782 3.609 11 HZ PHE 1 HZ PHE 1 -3.979 -5.681 5.697 12 H GLN 2 HN GLN 2 -5.901 0.185 1.156 13 HA GLN 2 HA GLN 2 -8.122 1.945 0.479 14 HB2 GLN 2 HB2 GLN 2 -5.691 2.852 2.021 15 HB3 GLN 2 HB1 GLN 2 -6.626 3.966 1.037 16 HG2 GLN 2 HG2 GLN 2 -8.616 3.465 2.370 17 HG3 GLN 2 HG1 GLN 2 -7.665 2.361 3.362 18 HE21 GLN 2 HE21 GLN 2 -8.295 5.680 2.557 19 HE22 GLN 2 HE22 GLN 2 -7.465 6.377 3.903 20 H CYS 3 HN CYS 3 -5.371 0.293 -0.346 21 HA CYS 3 HA CYS 3 -5.169 1.632 -2.936 22 HB2 CYS 3 HB2 CYS 3 -3.414 2.723 -1.695 23 HB3 CYS 3 HB1 CYS 3 -2.844 1.194 -1.044 24 H GLY 4 HN GLY 4 -3.911 0.331 -4.513 25 HA2 GLY 4 HA2 GLY 4 -3.356 -1.605 -5.601 26 HA3 GLY 4 HA1 GLY 4 -3.073 -2.320 -4.027 27 H ARG 5 HN ARG 5 -3.935 -4.264 -4.317 28 HA ARG 5 HA ARG 5 -6.655 -4.523 -5.355 29 HB2 ARG 5 HB2 ARG 5 -6.132 -6.978 -5.432 30 HB3 ARG 5 HB1 ARG 5 -5.104 -5.982 -6.447 31 HG2 ARG 5 HG2 ARG 5 -3.536 -6.035 -4.331 32 HG3 ARG 5 HG1 ARG 5 -4.435 -7.520 -3.998 33 HD2 ARG 5 HD2 ARG 5 -3.918 -8.281 -6.290 34 HD3 ARG 5 HD1 ARG 5 -2.923 -6.841 -6.507 35 HE ARG 5 HE ARG 5 -2.077 -8.227 -4.205 36 HH11 ARG 5 HH11 ARG 5 -1.986 -8.559 -7.700 37 HH12 ARG 5 HH12 ARG 5 -0.534 -9.503 -7.688 38 HH21 ARG 5 HH21 ARG 5 0.489 -10.014 -5.715 39 HH22 ARG 5 HH22 ARG 5 -0.176 -9.463 -4.214 40 H GLN 6 HN GLN 6 -5.037 -4.432 -2.363 41 HA GLN 6 HA GLN 6 -6.533 -6.296 -0.836 42 HB2 GLN 6 HB2 GLN 6 -4.378 -4.727 -0.334 43 HB3 GLN 6 HB1 GLN 6 -5.624 -3.826 0.513 44 HG2 GLN 6 HG2 GLN 6 -5.053 -6.759 0.955 45 HG3 GLN 6 HG1 GLN 6 -4.386 -5.458 1.937 46 HE21 GLN 6 HE21 GLN 6 -7.200 -7.317 1.159 47 HE22 GLN 6 HE22 GLN 6 -8.188 -6.764 2.464 48 H ALA 7 HN ALA 7 -7.193 -3.189 -2.093 49 HA ALA 7 HA ALA 7 -9.675 -2.918 -0.546 50 HB1 ALA 7 HB1 ALA 7 -8.060 -0.810 -1.961 51 HB2 ALA 7 HB2 ALA 7 -8.077 -1.100 -0.222 52 HB3 ALA 7 HB3 ALA 7 -9.536 -0.534 -1.037 53 H GLY 8 HN GLY 8 -8.216 -2.949 -3.707 54 HA2 GLY 8 HA2 GLY 8 -9.760 -4.027 -5.409 55 HA3 GLY 8 HA1 GLY 8 -10.866 -2.728 -4.986 56 H GLY 9 HN GLY 9 -9.687 -0.485 -5.074 57 HA2 GLY 9 HA2 GLY 9 -7.613 -0.013 -6.902 58 HA3 GLY 9 HA1 GLY 9 -9.132 0.054 -7.781 59 H ALA 10 HN ALA 10 -7.250 1.500 -5.182 60 HA ALA 10 HA ALA 10 -8.754 4.004 -5.545 61 HB1 ALA 10 HB1 ALA 10 -9.547 2.917 -3.496 62 HB2 ALA 10 HB2 ALA 10 -8.694 4.419 -3.138 63 HB3 ALA 10 HB3 ALA 10 -7.895 2.868 -2.879 64 H ARG 11 HN ARG 11 -7.204 5.483 -3.610 65 HA ARG 11 HA ARG 11 -4.450 5.319 -4.609 66 HB2 ARG 11 HB2 ARG 11 -6.238 7.745 -4.780 67 HB3 ARG 11 HB1 ARG 11 -4.485 7.864 -4.832 68 HG2 ARG 11 HG2 ARG 11 -4.445 6.454 -6.828 69 HG3 ARG 11 HG1 ARG 11 -6.203 6.329 -6.775 70 HD2 ARG 11 HD2 ARG 11 -5.737 8.002 -8.365 71 HD3 ARG 11 HD1 ARG 11 -6.247 8.860 -6.912 72 HE ARG 11 HE ARG 11 -3.461 8.638 -6.859 73 HH11 ARG 11 HH11 ARG 11 -5.913 10.292 -8.754 74 HH12 ARG 11 HH12 ARG 11 -4.864 11.606 -9.175 75 HH21 ARG 11 HH21 ARG 11 -2.107 10.367 -7.423 76 HH22 ARG 11 HH22 ARG 11 -2.712 11.646 -8.421 77 H CYS 12 HN CYS 12 -2.881 6.270 -3.280 78 HA CYS 12 HA CYS 12 -3.500 6.211 -0.488 79 HB2 CYS 12 HB2 CYS 12 -0.999 6.585 -2.100 80 HB3 CYS 12 HB1 CYS 12 -0.991 6.766 -0.350 81 H SER 13 HN SER 13 -1.806 8.010 0.708 82 HA SER 13 HA SER 13 -3.349 10.248 1.126 83 HB2 SER 13 HB2 SER 13 -1.508 9.379 2.634 84 HB3 SER 13 HB1 SER 13 -0.356 10.192 1.571 85 HG SER 13 HG SER 13 -1.092 11.406 3.463 86 H ASN 14 HN ASN 14 -0.153 10.576 -0.368 87 HA ASN 14 HA ASN 14 -1.256 12.422 -2.351 88 HB2 ASN 14 HB2 ASN 14 -0.301 13.594 -0.208 89 HB3 ASN 14 HB1 ASN 14 1.265 13.207 -0.913 90 HD21 ASN 14 HD21 ASN 14 -1.641 15.081 -1.229 91 HD22 ASN 14 HD22 ASN 14 -1.053 16.169 -2.434 92 H GLY 15 HN GLY 15 -0.183 9.689 -2.406 93 HA2 GLY 15 HA2 GLY 15 0.863 8.571 -4.172 94 HA3 GLY 15 HA1 GLY 15 1.653 10.074 -4.628 95 H LEU 16 HN LEU 16 1.595 8.369 -1.520 96 HA LEU 16 HA LEU 16 4.451 8.645 -1.251 97 HB2 LEU 16 HB2 LEU 16 3.843 7.183 0.912 98 HB3 LEU 16 HB1 LEU 16 3.663 8.921 0.847 99 HG LEU 16 HG LEU 16 1.197 8.420 0.192 100 HD11 LEU 16 HD11 LEU 16 0.383 6.312 1.286 101 HD12 LEU 16 HD12 LEU 16 2.057 5.764 1.284 102 HD13 LEU 16 HD13 LEU 16 1.240 6.105 -0.242 103 HD21 LEU 16 HD21 LEU 16 2.080 7.736 2.978 104 HD22 LEU 16 HD22 LEU 16 0.538 8.411 2.477 105 HD23 LEU 16 HD23 LEU 16 2.004 9.379 2.340 106 H CYS 17 HN CYS 17 3.076 5.720 -0.052 107 HA CYS 17 HA CYS 17 4.377 4.089 -2.106 108 HB2 CYS 17 HB2 CYS 17 4.774 3.152 0.670 109 HB3 CYS 17 HB1 CYS 17 5.889 3.117 -0.690 110 H CYS 18 HN CYS 18 3.667 1.802 -2.000 111 HA CYS 18 HA CYS 18 1.181 1.370 -0.514 112 HB2 CYS 18 HB2 CYS 18 0.594 2.258 -2.767 113 HB3 CYS 18 HB1 CYS 18 1.423 0.889 -3.497 114 H SER 19 HN SER 19 1.430 -0.406 0.614 115 HA SER 19 HA SER 19 3.473 -2.290 0.320 116 HB2 SER 19 HB2 SER 19 0.847 -2.607 1.777 117 HB3 SER 19 HB1 SER 19 2.291 -3.581 2.028 118 HG SER 19 HG SER 19 1.874 -1.698 3.487 119 H GLN 20 HN GLN 20 3.399 -4.518 -0.088 120 HA GLN 20 HA GLN 20 2.720 -5.364 -2.535 121 HB2 GLN 20 HB2 GLN 20 3.049 -6.917 -0.005 122 HB3 GLN 20 HB1 GLN 20 2.755 -7.730 -1.534 123 HG2 GLN 20 HG2 GLN 20 4.764 -6.702 -2.468 124 HG3 GLN 20 HG1 GLN 20 5.058 -5.886 -0.933 125 HE21 GLN 20 HE21 GLN 20 5.748 -7.083 0.840 126 HE22 GLN 20 HE22 GLN 20 6.398 -8.675 0.676 127 H PHE 21 HN PHE 21 0.566 -5.612 0.212 128 HA PHE 21 HA PHE 21 -1.438 -7.069 -1.287 129 HB2 PHE 21 HB2 PHE 21 -1.414 -5.922 1.502 130 HB3 PHE 21 HB1 PHE 21 -2.810 -6.738 0.810 131 HD1 PHE 21 HD1 PHE 21 -2.852 -9.094 0.516 132 HD2 PHE 21 HD2 PHE 21 0.606 -7.142 2.029 133 HE1 PHE 21 HE1 PHE 21 -1.948 -11.274 1.241 134 HE2 PHE 21 HE2 PHE 21 1.525 -9.314 2.761 135 HZ PHE 21 HZ PHE 21 0.244 -11.383 2.364 136 H GLY 22 HN GLY 22 -0.943 -3.861 -0.032 137 HA2 GLY 22 HA2 GLY 22 -1.838 -2.123 -1.670 138 HA3 GLY 22 HA1 GLY 22 -3.382 -2.909 -1.364 139 H TYR 23 HN TYR 23 -0.639 -1.726 0.555 140 HA TYR 23 HA TYR 23 -2.566 -0.367 2.328 141 HB2 TYR 23 HB2 TYR 23 -0.999 -2.350 3.171 142 HB3 TYR 23 HB1 TYR 23 0.184 -1.054 3.287 143 HD1 TYR 23 HD1 TYR 23 -0.912 1.172 4.474 144 HD2 TYR 23 HD2 TYR 23 -2.077 -2.868 5.128 145 HE1 TYR 23 HE1 TYR 23 -1.832 1.799 6.668 146 HE2 TYR 23 HE2 TYR 23 -3.004 -2.251 7.322 147 HH TYR 23 HH TYR 23 -3.505 0.966 8.269 148 H CYS 24 HN CYS 24 -2.255 1.733 2.798 149 HA CYS 24 HA CYS 24 -0.256 3.153 1.224 150 HB2 CYS 24 HB2 CYS 24 -2.732 4.026 2.695 151 HB3 CYS 24 HB1 CYS 24 -1.588 5.177 2.005 152 H GLY 25 HN GLY 25 1.448 4.154 2.006 153 HA2 GLY 25 HA2 GLY 25 1.647 5.222 4.620 154 HA3 GLY 25 HA1 GLY 25 2.468 3.675 4.538 155 H SER 26 HN SER 26 3.711 6.019 5.157 156 HA SER 26 HA SER 26 5.750 6.231 3.053 157 HB2 SER 26 HB2 SER 26 4.075 8.150 2.815 158 HB3 SER 26 HB1 SER 26 4.649 8.720 4.373 159 HG SER 26 HG SER 26 5.998 9.734 3.065 160 H THR 27 HN THR 27 4.838 5.830 6.206 161 HA THR 27 HA THR 27 7.455 6.560 7.294 162 HB THR 27 HB THR 27 6.675 7.939 8.961 163 HG1 THR 27 HG1 THR 27 4.220 6.495 8.827 164 HG21 THR 27 HG21 THR 27 4.858 9.409 8.203 165 HG22 THR 27 HG22 THR 27 4.403 8.223 6.981 166 HG23 THR 27 HG23 THR 27 5.963 9.038 6.877 167 HA PRO 28 HA PRO 28 5.467 3.232 10.154 168 HB2 PRO 28 HB2 PRO 28 3.006 2.205 9.061 169 HB3 PRO 28 HB1 PRO 28 3.210 3.235 10.486 170 HG2 PRO 28 HG2 PRO 28 1.926 4.043 8.230 171 HG3 PRO 28 HG1 PRO 28 2.759 5.148 9.344 172 HD2 PRO 28 HD2 PRO 28 3.806 3.938 6.781 173 HD3 PRO 28 HD1 PRO 28 3.851 5.637 7.316 174 HA PRO 29 HA PRO 29 6.690 -0.740 8.386 175 HB2 PRO 29 HB2 PRO 29 4.271 -2.135 9.435 176 HB3 PRO 29 HB1 PRO 29 5.986 -2.475 9.732 177 HG2 PRO 29 HG2 PRO 29 4.521 -1.383 11.617 178 HG3 PRO 29 HG1 PRO 29 6.181 -0.817 11.327 179 HD2 PRO 29 HD2 PRO 29 3.595 0.433 10.478 180 HD3 PRO 29 HD1 PRO 29 5.039 1.197 11.174 181 H TYR 30 HN TYR 30 5.264 0.824 6.618 182 HA TYR 30 HA TYR 30 4.223 -1.173 4.732 183 HB2 TYR 30 HB2 TYR 30 2.965 1.551 4.776 184 HB3 TYR 30 HB1 TYR 30 2.321 0.050 4.139 185 HD1 TYR 30 HD1 TYR 30 1.853 -1.789 6.026 186 HD2 TYR 30 HD2 TYR 30 2.019 2.408 6.693 187 HE1 TYR 30 HE1 TYR 30 0.510 -2.072 8.068 188 HE2 TYR 30 HE2 TYR 30 0.678 2.136 8.740 189 HH TYR 30 HH TYR 30 0.100 -0.880 10.179 190 H CYS 31 HN CYS 31 5.908 1.692 5.551 191 HA CYS 31 HA CYS 31 7.347 1.700 3.081 192 HB2 CYS 31 HB2 CYS 31 5.383 3.239 2.676 193 HB3 CYS 31 HB1 CYS 31 6.061 4.283 3.919 194 H GLY 32 HN GLY 32 9.043 1.103 4.339 195 HA2 GLY 32 HA2 GLY 32 10.936 2.831 5.145 196 HA3 GLY 32 HA1 GLY 32 9.921 2.713 6.580 197 H ALA 33 HN ALA 33 9.207 0.265 6.867 198 HA ALA 33 HA ALA 33 11.139 -1.747 6.275 199 HB1 ALA 33 HB1 ALA 33 12.372 -0.602 8.082 200 HB2 ALA 33 HB2 ALA 33 11.878 -2.224 8.567 201 HB3 ALA 33 HB3 ALA 33 10.991 -0.819 9.158 202 H GLY 34 HN GLY 34 9.534 -3.002 5.577 203 HA2 GLY 34 HA2 GLY 34 8.072 -4.586 7.362 204 HA3 GLY 34 HA1 GLY 34 7.010 -3.314 6.776 205 H GLN 35 HN GLN 35 6.495 -3.204 4.581 206 HA GLN 35 HA GLN 35 7.320 -5.355 2.812 207 HB2 GLN 35 HB2 GLN 35 4.803 -5.749 2.249 208 HB3 GLN 35 HB1 GLN 35 5.505 -6.555 3.640 209 HG2 GLN 35 HG2 GLN 35 4.547 -4.787 5.091 210 HG3 GLN 35 HG1 GLN 35 3.764 -4.095 3.673 211 HE21 GLN 35 HE21 GLN 35 2.042 -5.192 2.722 212 HE22 GLN 35 HE22 GLN 35 1.195 -6.456 3.539 213 H CYS 36 HN CYS 36 8.230 -3.056 2.283 214 HA CYS 36 HA CYS 36 6.482 -1.283 0.844 215 HB2 CYS 36 HB2 CYS 36 9.496 -1.359 0.747 216 HB3 CYS 36 HB1 CYS 36 8.452 -0.000 0.351 217 H GLN 37 HN GLN 37 5.751 -1.540 -1.162 218 HA GLN 37 HA GLN 37 7.219 -3.244 -3.040 219 HB2 GLN 37 HB2 GLN 37 4.724 -3.577 -2.477 220 HB3 GLN 37 HB1 GLN 37 4.445 -2.139 -3.449 221 HG2 GLN 37 HG2 GLN 37 5.537 -3.265 -5.356 222 HG3 GLN 37 HG1 GLN 37 5.680 -4.721 -4.374 223 HE21 GLN 37 HE21 GLN 37 3.880 -5.961 -3.979 224 HE22 GLN 37 HE22 GLN 37 2.377 -5.727 -4.798 225 H SER 38 HN SER 38 5.634 -0.062 -2.827 226 HA SER 38 HA SER 38 6.771 0.796 -5.349 227 HB2 SER 38 HB2 SER 38 4.939 2.190 -3.395 228 HB3 SER 38 HB1 SER 38 5.491 2.906 -4.908 229 HG SER 38 HG SER 38 3.815 1.929 -5.718 230 H GLN 39 HN GLN 39 6.846 1.950 -2.011 231 HA GLN 39 HA GLN 39 9.609 2.834 -2.341 232 HB2 GLN 39 HB2 GLN 39 7.310 4.656 -1.660 233 HB3 GLN 39 HB1 GLN 39 8.945 5.023 -1.132 234 HG2 GLN 39 HG2 GLN 39 9.692 5.025 -3.461 235 HG3 GLN 39 HG1 GLN 39 8.048 4.663 -3.984 236 HE21 GLN 39 HE21 GLN 39 10.176 7.069 -2.663 237 HE22 GLN 39 HE22 GLN 39 9.132 8.423 -2.914 238 H CYS 40 HN CYS 40 10.715 3.227 -0.334 239 HA CYS 40 HA CYS 40 9.352 2.214 2.065 240 HB2 CYS 40 HB2 CYS 40 11.140 0.676 0.702 241 HB3 CYS 40 HB1 CYS 40 12.207 1.501 1.833 Start of MODEL 16 1 H1 PHE 1 HT1 PHE 1 -6.210 -2.380 5.733 2 H2 PHE 1 HT2 PHE 1 -7.786 -2.218 5.143 3 H3 PHE 1 HT3 PHE 1 -6.935 -0.853 5.665 4 HA PHE 1 HA PHE 1 -5.349 -1.098 3.886 5 HB2 PHE 1 HB2 PHE 1 -7.088 -3.455 3.130 6 HB3 PHE 1 HB1 PHE 1 -5.867 -2.751 2.079 7 HD1 PHE 1 HD1 PHE 1 -6.403 -4.586 5.231 8 HD2 PHE 1 HD2 PHE 1 -3.572 -3.256 2.345 9 HE1 PHE 1 HE1 PHE 1 -4.702 -6.057 6.231 10 HE2 PHE 1 HE2 PHE 1 -1.865 -4.723 3.342 11 HZ PHE 1 HZ PHE 1 -2.430 -6.127 5.285 12 H GLN 2 HN GLN 2 -5.666 0.059 1.995 13 HA GLN 2 HA GLN 2 -8.405 0.661 1.149 14 HB2 GLN 2 HB2 GLN 2 -6.392 2.775 1.940 15 HB3 GLN 2 HB1 GLN 2 -7.904 3.105 1.113 16 HG2 GLN 2 HG2 GLN 2 -7.843 1.724 3.773 17 HG3 GLN 2 HG1 GLN 2 -7.791 3.480 3.640 18 HE21 GLN 2 HE21 GLN 2 -9.600 4.585 2.880 19 HE22 GLN 2 HE22 GLN 2 -11.163 3.853 2.814 20 H CYS 3 HN CYS 3 -4.992 0.764 0.583 21 HA CYS 3 HA CYS 3 -5.241 1.662 -2.176 22 HB2 CYS 3 HB2 CYS 3 -3.511 2.692 -0.908 23 HB3 CYS 3 HB1 CYS 3 -2.921 1.149 -0.315 24 H GLY 4 HN GLY 4 -3.742 0.538 -3.776 25 HA2 GLY 4 HA2 GLY 4 -3.179 -1.243 -5.079 26 HA3 GLY 4 HA1 GLY 4 -2.917 -2.122 -3.593 27 H ARG 5 HN ARG 5 -3.575 -3.959 -4.772 28 HA ARG 5 HA ARG 5 -6.226 -4.223 -5.807 29 HB2 ARG 5 HB2 ARG 5 -5.623 -6.628 -6.077 30 HB3 ARG 5 HB1 ARG 5 -4.458 -5.530 -6.802 31 HG2 ARG 5 HG2 ARG 5 -3.297 -5.818 -4.429 32 HG3 ARG 5 HG1 ARG 5 -4.164 -7.357 -4.495 33 HD2 ARG 5 HD2 ARG 5 -3.191 -7.745 -6.734 34 HD3 ARG 5 HD1 ARG 5 -2.247 -6.270 -6.542 35 HE ARG 5 HE ARG 5 -1.783 -7.987 -4.352 36 HH11 ARG 5 HH11 ARG 5 -0.999 -7.728 -7.766 37 HH12 ARG 5 HH12 ARG 5 0.476 -8.621 -7.613 38 HH21 ARG 5 HH21 ARG 5 1.126 -9.427 -5.582 39 HH22 ARG 5 HH22 ARG 5 0.152 -9.154 -4.175 40 H GLN 6 HN GLN 6 -4.984 -4.343 -2.650 41 HA GLN 6 HA GLN 6 -6.533 -6.366 -1.428 42 HB2 GLN 6 HB2 GLN 6 -4.665 -4.490 -0.588 43 HB3 GLN 6 HB1 GLN 6 -6.139 -4.000 0.233 44 HG2 GLN 6 HG2 GLN 6 -4.987 -6.788 0.336 45 HG3 GLN 6 HG1 GLN 6 -4.700 -5.548 1.556 46 HE21 GLN 6 HE21 GLN 6 -7.020 -7.731 0.161 47 HE22 GLN 6 HE22 GLN 6 -8.190 -7.625 1.427 48 H ALA 7 HN ALA 7 -7.265 -3.296 -2.687 49 HA ALA 7 HA ALA 7 -10.023 -3.366 -1.695 50 HB1 ALA 7 HB1 ALA 7 -8.278 -0.942 -2.043 51 HB2 ALA 7 HB2 ALA 7 -8.745 -1.661 -0.502 52 HB3 ALA 7 HB3 ALA 7 -9.968 -0.931 -1.544 53 H GLY 8 HN GLY 8 -7.767 -2.331 -4.164 54 HA2 GLY 8 HA2 GLY 8 -8.879 -3.061 -6.456 55 HA3 GLY 8 HA1 GLY 8 -9.883 -1.672 -6.061 56 H GLY 9 HN GLY 9 -8.473 0.299 -5.347 57 HA2 GLY 9 HA2 GLY 9 -5.887 0.694 -6.358 58 HA3 GLY 9 HA1 GLY 9 -7.029 1.179 -7.601 59 H ALA 10 HN ALA 10 -5.718 1.912 -4.440 60 HA ALA 10 HA ALA 10 -6.691 4.661 -4.683 61 HB1 ALA 10 HB1 ALA 10 -7.147 3.027 -2.183 62 HB2 ALA 10 HB2 ALA 10 -8.392 3.517 -3.331 63 HB3 ALA 10 HB3 ALA 10 -7.530 4.735 -2.393 64 H ARG 11 HN ARG 11 -5.753 6.021 -2.769 65 HA ARG 11 HA ARG 11 -3.081 5.127 -1.949 66 HB2 ARG 11 HB2 ARG 11 -3.695 7.650 -3.491 67 HB3 ARG 11 HB1 ARG 11 -2.233 7.467 -2.535 68 HG2 ARG 11 HG2 ARG 11 -1.545 5.581 -3.899 69 HG3 ARG 11 HG1 ARG 11 -3.040 5.687 -4.828 70 HD2 ARG 11 HD2 ARG 11 -1.087 7.967 -4.624 71 HD3 ARG 11 HD1 ARG 11 -0.968 6.725 -5.869 72 HE ARG 11 HE ARG 11 -3.568 7.906 -5.768 73 HH11 ARG 11 HH11 ARG 11 -0.325 8.421 -7.015 74 HH12 ARG 11 HH12 ARG 11 -0.861 9.443 -8.308 75 HH21 ARG 11 HH21 ARG 11 -4.247 9.244 -7.466 76 HH22 ARG 11 HH22 ARG 11 -3.080 9.908 -8.561 77 H CYS 12 HN CYS 12 -2.218 6.294 -0.103 78 HA CYS 12 HA CYS 12 -4.330 7.162 1.671 79 HB2 CYS 12 HB2 CYS 12 -1.418 6.633 2.089 80 HB3 CYS 12 HB1 CYS 12 -2.378 7.424 3.329 81 H SER 13 HN SER 13 -1.165 8.737 1.373 82 HA SER 13 HA SER 13 -2.434 11.286 1.901 83 HB2 SER 13 HB2 SER 13 -0.384 10.636 3.155 84 HB3 SER 13 HB1 SER 13 0.522 10.665 1.643 85 HG SER 13 HG SER 13 -0.215 12.920 1.482 86 H ASN 14 HN ASN 14 0.429 11.446 -0.031 87 HA ASN 14 HA ASN 14 -1.112 11.948 -2.470 88 HB2 ASN 14 HB2 ASN 14 -0.673 14.079 -1.059 89 HB3 ASN 14 HB1 ASN 14 0.989 13.923 -1.617 90 HD21 ASN 14 HD21 ASN 14 1.457 14.238 -3.797 91 HD22 ASN 14 HD22 ASN 14 0.352 15.020 -4.870 92 H GLY 15 HN GLY 15 -0.226 10.064 -3.318 93 HA2 GLY 15 HA2 GLY 15 1.260 8.786 -4.515 94 HA3 GLY 15 HA1 GLY 15 2.064 10.298 -4.893 95 H LEU 16 HN LEU 16 1.700 8.332 -1.933 96 HA LEU 16 HA LEU 16 4.521 8.752 -1.340 97 HB2 LEU 16 HB2 LEU 16 3.694 7.296 0.773 98 HB3 LEU 16 HB1 LEU 16 3.542 9.035 0.684 99 HG LEU 16 HG LEU 16 1.183 8.787 0.020 100 HD11 LEU 16 HD11 LEU 16 0.018 6.776 -0.075 101 HD12 LEU 16 HD12 LEU 16 1.348 5.871 0.648 102 HD13 LEU 16 HD13 LEU 16 1.490 6.482 -1.000 103 HD21 LEU 16 HD21 LEU 16 0.342 8.119 2.170 104 HD22 LEU 16 HD22 LEU 16 1.837 9.027 2.372 105 HD23 LEU 16 HD23 LEU 16 1.846 7.271 2.522 106 H CYS 17 HN CYS 17 3.117 5.885 -0.118 107 HA CYS 17 HA CYS 17 4.427 4.136 -2.067 108 HB2 CYS 17 HB2 CYS 17 4.931 3.346 0.723 109 HB3 CYS 17 HB1 CYS 17 6.017 3.309 -0.656 110 H CYS 18 HN CYS 18 3.784 1.821 -1.717 111 HA CYS 18 HA CYS 18 1.448 1.412 -0.041 112 HB2 CYS 18 HB2 CYS 18 0.598 2.326 -2.193 113 HB3 CYS 18 HB1 CYS 18 1.295 0.940 -3.021 114 H SER 19 HN SER 19 1.220 -0.590 0.702 115 HA SER 19 HA SER 19 3.404 -2.399 0.489 116 HB2 SER 19 HB2 SER 19 0.713 -2.731 1.825 117 HB3 SER 19 HB1 SER 19 2.096 -3.802 2.046 118 HG SER 19 HG SER 19 2.919 -1.318 2.464 119 H GLN 20 HN GLN 20 3.284 -4.656 0.024 120 HA GLN 20 HA GLN 20 2.696 -5.337 -2.528 121 HB2 GLN 20 HB2 GLN 20 2.932 -7.061 -0.091 122 HB3 GLN 20 HB1 GLN 20 2.718 -7.753 -1.692 123 HG2 GLN 20 HG2 GLN 20 4.770 -6.678 -2.444 124 HG3 GLN 20 HG1 GLN 20 4.981 -5.952 -0.851 125 HE21 GLN 20 HE21 GLN 20 5.587 -7.251 0.882 126 HE22 GLN 20 HE22 GLN 20 6.252 -8.830 0.659 127 H PHE 21 HN PHE 21 0.513 -5.668 0.170 128 HA PHE 21 HA PHE 21 -1.509 -7.045 -1.370 129 HB2 PHE 21 HB2 PHE 21 -1.451 -5.932 1.429 130 HB3 PHE 21 HB1 PHE 21 -2.884 -6.667 0.730 131 HD1 PHE 21 HD1 PHE 21 0.458 -7.234 2.018 132 HD2 PHE 21 HD2 PHE 21 -3.002 -9.022 0.317 133 HE1 PHE 21 HE1 PHE 21 1.275 -9.459 2.720 134 HE2 PHE 21 HE2 PHE 21 -2.201 -11.255 1.012 135 HZ PHE 21 HZ PHE 21 -0.059 -11.471 2.215 136 H GLY 22 HN GLY 22 -0.921 -3.867 -0.088 137 HA2 GLY 22 HA2 GLY 22 -1.739 -2.098 -1.723 138 HA3 GLY 22 HA1 GLY 22 -3.314 -2.825 -1.433 139 H TYR 23 HN TYR 23 -0.570 -1.862 0.604 140 HA TYR 23 HA TYR 23 -2.466 -0.278 2.209 141 HB2 TYR 23 HB2 TYR 23 -1.171 -2.415 3.190 142 HB3 TYR 23 HB1 TYR 23 0.073 -1.202 3.464 143 HD1 TYR 23 HD1 TYR 23 -2.318 -2.894 5.121 144 HD2 TYR 23 HD2 TYR 23 -1.224 1.150 4.368 145 HE1 TYR 23 HE1 TYR 23 -3.486 -2.200 7.173 146 HE2 TYR 23 HE2 TYR 23 -2.390 1.855 6.419 147 HH TYR 23 HH TYR 23 -4.187 1.042 7.887 148 H CYS 24 HN CYS 24 -2.221 1.741 1.614 149 HA CYS 24 HA CYS 24 0.252 2.819 0.657 150 HB2 CYS 24 HB2 CYS 24 -1.129 5.004 0.742 151 HB3 CYS 24 HB1 CYS 24 -1.628 3.749 -0.376 152 H GLY 25 HN GLY 25 1.737 3.998 1.624 153 HA2 GLY 25 HA2 GLY 25 1.322 5.360 4.117 154 HA3 GLY 25 HA1 GLY 25 2.297 3.909 4.287 155 H SER 26 HN SER 26 3.530 6.046 5.042 156 HA SER 26 HA SER 26 5.601 6.497 3.035 157 HB2 SER 26 HB2 SER 26 3.902 8.359 2.781 158 HB3 SER 26 HB1 SER 26 4.316 8.867 4.413 159 HG SER 26 HG SER 26 5.812 9.016 2.061 160 H THR 27 HN THR 27 4.730 5.710 6.072 161 HA THR 27 HA THR 27 7.342 6.214 7.184 162 HB THR 27 HB THR 27 6.637 8.243 7.983 163 HG1 THR 27 HG1 THR 27 5.425 6.822 10.086 164 HG21 THR 27 HG21 THR 27 4.449 8.954 8.451 165 HG22 THR 27 HG22 THR 27 3.866 7.309 8.690 166 HG23 THR 27 HG23 THR 27 4.267 7.874 7.068 167 HA PRO 28 HA PRO 28 4.958 3.089 10.003 168 HB2 PRO 28 HB2 PRO 28 2.603 2.129 8.601 169 HB3 PRO 28 HB1 PRO 28 2.674 3.034 10.122 170 HG2 PRO 28 HG2 PRO 28 1.597 4.055 7.869 171 HG3 PRO 28 HG1 PRO 28 2.397 5.053 9.100 172 HD2 PRO 28 HD2 PRO 28 3.554 3.975 6.528 173 HD3 PRO 28 HD1 PRO 28 3.614 5.636 7.170 174 HA PRO 29 HA PRO 29 6.367 -0.830 8.169 175 HB2 PRO 29 HB2 PRO 29 4.422 -2.724 8.711 176 HB3 PRO 29 HB1 PRO 29 5.643 -2.180 9.876 177 HG2 PRO 29 HG2 PRO 29 2.812 -1.293 9.566 178 HG3 PRO 29 HG1 PRO 29 3.719 -1.681 11.044 179 HD2 PRO 29 HD2 PRO 29 3.342 0.840 10.351 180 HD3 PRO 29 HD1 PRO 29 4.908 0.315 10.997 181 H TYR 30 HN TYR 30 5.132 0.835 6.374 182 HA TYR 30 HA TYR 30 4.223 -1.021 4.299 183 HB2 TYR 30 HB2 TYR 30 2.960 1.709 4.481 184 HB3 TYR 30 HB1 TYR 30 2.389 0.290 3.619 185 HD1 TYR 30 HD1 TYR 30 1.818 2.334 6.382 186 HD2 TYR 30 HD2 TYR 30 1.795 -1.764 5.244 187 HE1 TYR 30 HE1 TYR 30 0.322 1.819 8.269 188 HE2 TYR 30 HE2 TYR 30 0.301 -2.291 7.127 189 HH TYR 30 HH TYR 30 -1.311 0.100 8.912 190 H CYS 31 HN CYS 31 5.742 1.890 5.388 191 HA CYS 31 HA CYS 31 7.373 2.010 3.010 192 HB2 CYS 31 HB2 CYS 31 5.404 3.625 2.719 193 HB3 CYS 31 HB1 CYS 31 6.169 4.574 3.988 194 H GLY 32 HN GLY 32 8.945 1.226 4.370 195 HA2 GLY 32 HA2 GLY 32 10.853 2.869 5.350 196 HA3 GLY 32 HA1 GLY 32 9.770 2.677 6.727 197 H ALA 33 HN ALA 33 9.155 0.397 7.218 198 HA ALA 33 HA ALA 33 10.950 -1.713 6.440 199 HB1 ALA 33 HB1 ALA 33 10.984 -0.784 9.325 200 HB2 ALA 33 HB2 ALA 33 12.309 -0.604 8.175 201 HB3 ALA 33 HB3 ALA 33 11.798 -2.212 8.686 202 H GLY 34 HN GLY 34 9.044 -2.620 5.733 203 HA2 GLY 34 HA2 GLY 34 7.711 -4.313 7.564 204 HA3 GLY 34 HA1 GLY 34 6.678 -2.951 7.154 205 H GLN 35 HN GLN 35 6.098 -2.622 4.942 206 HA GLN 35 HA GLN 35 6.469 -4.923 3.162 207 HB2 GLN 35 HB2 GLN 35 3.769 -3.689 3.797 208 HB3 GLN 35 HB1 GLN 35 4.061 -4.932 2.591 209 HG2 GLN 35 HG2 GLN 35 4.774 -5.406 5.457 210 HG3 GLN 35 HG1 GLN 35 3.112 -5.592 4.904 211 HE21 GLN 35 HE21 GLN 35 6.353 -6.828 4.729 212 HE22 GLN 35 HE22 GLN 35 5.960 -8.333 3.977 213 H CYS 36 HN CYS 36 7.988 -3.019 2.500 214 HA CYS 36 HA CYS 36 6.668 -0.942 0.960 215 HB2 CYS 36 HB2 CYS 36 8.989 -0.179 0.476 216 HB3 CYS 36 HB1 CYS 36 8.631 -0.303 2.193 217 H GLN 37 HN GLN 37 5.765 -1.572 -0.918 218 HA GLN 37 HA GLN 37 7.204 -3.384 -2.700 219 HB2 GLN 37 HB2 GLN 37 4.672 -3.491 -2.082 220 HB3 GLN 37 HB1 GLN 37 4.504 -2.201 -3.264 221 HG2 GLN 37 HG2 GLN 37 5.522 -3.657 -4.965 222 HG3 GLN 37 HG1 GLN 37 5.613 -4.954 -3.778 223 HE21 GLN 37 HE21 GLN 37 4.298 -6.343 -4.890 224 HE22 GLN 37 HE22 GLN 37 2.603 -6.084 -5.102 225 H SER 38 HN SER 38 5.666 -0.163 -2.803 226 HA SER 38 HA SER 38 6.829 0.451 -5.373 227 HB2 SER 38 HB2 SER 38 5.092 2.079 -3.515 228 HB3 SER 38 HB1 SER 38 5.640 2.638 -5.096 229 HG SER 38 HG SER 38 4.513 0.918 -6.037 230 H GLN 39 HN GLN 39 7.060 1.813 -2.124 231 HA GLN 39 HA GLN 39 9.794 2.690 -2.700 232 HB2 GLN 39 HB2 GLN 39 7.518 4.432 -1.821 233 HB3 GLN 39 HB1 GLN 39 9.154 4.814 -1.306 234 HG2 GLN 39 HG2 GLN 39 9.856 4.919 -3.650 235 HG3 GLN 39 HG1 GLN 39 8.203 4.557 -4.150 236 HE21 GLN 39 HE21 GLN 39 10.332 6.932 -2.772 237 HE22 GLN 39 HE22 GLN 39 9.269 8.283 -2.941 238 H CYS 40 HN CYS 40 11.194 2.519 -1.029 239 HA CYS 40 HA CYS 40 10.108 1.566 1.540 240 HB2 CYS 40 HB2 CYS 40 11.608 0.064 -0.102 241 HB3 CYS 40 HB1 CYS 40 12.897 0.873 0.784 Start of MODEL 17 1 H1 PHE 1 HT1 PHE 1 -5.864 -1.548 5.649 2 H2 PHE 1 HT2 PHE 1 -7.456 -1.196 5.199 3 H3 PHE 1 HT3 PHE 1 -6.350 0.060 5.446 4 HA PHE 1 HA PHE 1 -5.043 -0.653 3.571 5 HB2 PHE 1 HB2 PHE 1 -7.166 -2.793 3.389 6 HB3 PHE 1 HB1 PHE 1 -6.088 -2.397 2.057 7 HD1 PHE 1 HD1 PHE 1 -6.314 -3.852 5.412 8 HD2 PHE 1 HD2 PHE 1 -3.781 -3.042 2.091 9 HE1 PHE 1 HE1 PHE 1 -4.633 -5.401 6.324 10 HE2 PHE 1 HE2 PHE 1 -2.094 -4.587 2.998 11 HZ PHE 1 HZ PHE 1 -2.519 -5.771 5.115 12 H GLN 2 HN GLN 2 -5.339 0.485 1.729 13 HA GLN 2 HA GLN 2 -8.038 1.323 0.958 14 HB2 GLN 2 HB2 GLN 2 -5.770 3.235 1.535 15 HB3 GLN 2 HB1 GLN 2 -7.255 3.688 0.714 16 HG2 GLN 2 HG2 GLN 2 -8.514 3.005 2.745 17 HG3 GLN 2 HG1 GLN 2 -6.970 2.729 3.551 18 HE21 GLN 2 HE21 GLN 2 -9.153 5.108 2.268 19 HE22 GLN 2 HE22 GLN 2 -8.415 6.482 3.010 20 H CYS 3 HN CYS 3 -4.654 1.075 0.224 21 HA CYS 3 HA CYS 3 -5.034 1.697 -2.605 22 HB2 CYS 3 HB2 CYS 3 -3.193 2.795 -1.517 23 HB3 CYS 3 HB1 CYS 3 -2.590 1.275 -0.872 24 H GLY 4 HN GLY 4 -3.606 0.316 -4.115 25 HA2 GLY 4 HA2 GLY 4 -3.147 -1.643 -5.184 26 HA3 GLY 4 HA1 GLY 4 -2.937 -2.355 -3.603 27 H ARG 5 HN ARG 5 -3.712 -4.246 -4.695 28 HA ARG 5 HA ARG 5 -6.441 -4.410 -5.562 29 HB2 ARG 5 HB2 ARG 5 -5.957 -6.858 -5.783 30 HB3 ARG 5 HB1 ARG 5 -4.835 -5.826 -6.657 31 HG2 ARG 5 HG2 ARG 5 -3.469 -6.076 -4.381 32 HG3 ARG 5 HG1 ARG 5 -4.373 -7.593 -4.334 33 HD2 ARG 5 HD2 ARG 5 -3.607 -8.056 -6.639 34 HD3 ARG 5 HD1 ARG 5 -2.620 -6.597 -6.567 35 HE ARG 5 HE ARG 5 -2.009 -8.286 -4.385 36 HH11 ARG 5 HH11 ARG 5 -1.490 -8.071 -7.852 37 HH12 ARG 5 HH12 ARG 5 -0.018 -8.981 -7.804 38 HH21 ARG 5 HH21 ARG 5 0.779 -9.775 -5.821 39 HH22 ARG 5 HH22 ARG 5 -0.080 -9.476 -4.347 40 H GLN 6 HN GLN 6 -4.960 -4.511 -2.503 41 HA GLN 6 HA GLN 6 -6.535 -6.420 -1.127 42 HB2 GLN 6 HB2 GLN 6 -4.449 -4.753 -0.456 43 HB3 GLN 6 HB1 GLN 6 -5.792 -4.039 0.424 44 HG2 GLN 6 HG2 GLN 6 -4.946 -6.935 0.613 45 HG3 GLN 6 HG1 GLN 6 -4.516 -5.677 1.769 46 HE21 GLN 6 HE21 GLN 6 -7.050 -7.711 0.544 47 HE22 GLN 6 HE22 GLN 6 -8.176 -7.436 1.826 48 H ALA 7 HN ALA 7 -7.169 -3.350 -2.406 49 HA ALA 7 HA ALA 7 -9.807 -3.182 -1.132 50 HB1 ALA 7 HB1 ALA 7 -9.582 -0.753 -1.144 51 HB2 ALA 7 HB2 ALA 7 -7.962 -0.908 -1.824 52 HB3 ALA 7 HB3 ALA 7 -8.298 -1.505 -0.199 53 H GLY 8 HN GLY 8 -7.786 -2.506 -3.907 54 HA2 GLY 8 HA2 GLY 8 -9.201 -3.276 -6.000 55 HA3 GLY 8 HA1 GLY 8 -10.066 -1.801 -5.591 56 H GLY 9 HN GLY 9 -8.616 0.163 -5.327 57 HA2 GLY 9 HA2 GLY 9 -6.089 0.361 -6.526 58 HA3 GLY 9 HA1 GLY 9 -7.294 0.692 -7.758 59 H ALA 10 HN ALA 10 -6.058 1.736 -4.605 60 HA ALA 10 HA ALA 10 -6.805 4.494 -5.262 61 HB1 ALA 10 HB1 ALA 10 -8.648 3.621 -3.894 62 HB2 ALA 10 HB2 ALA 10 -7.763 4.894 -3.053 63 HB3 ALA 10 HB3 ALA 10 -7.502 3.204 -2.619 64 H ARG 11 HN ARG 11 -5.975 5.899 -3.170 65 HA ARG 11 HA ARG 11 -3.308 4.987 -2.350 66 HB2 ARG 11 HB2 ARG 11 -3.915 7.552 -3.826 67 HB3 ARG 11 HB1 ARG 11 -2.462 7.347 -2.859 68 HG2 ARG 11 HG2 ARG 11 -1.801 5.451 -4.269 69 HG3 ARG 11 HG1 ARG 11 -3.248 5.690 -5.251 70 HD2 ARG 11 HD2 ARG 11 -1.191 7.846 -4.828 71 HD3 ARG 11 HD1 ARG 11 -1.087 6.679 -6.144 72 HE ARG 11 HE ARG 11 -3.631 7.882 -6.169 73 HH11 ARG 11 HH11 ARG 11 -0.288 8.708 -6.864 74 HH12 ARG 11 HH12 ARG 11 -0.710 9.924 -8.023 75 HH21 ARG 11 HH21 ARG 11 -4.159 9.478 -7.690 76 HH22 ARG 11 HH22 ARG 11 -2.900 10.359 -8.489 77 H CYS 12 HN CYS 12 -2.439 6.164 -0.496 78 HA CYS 12 HA CYS 12 -4.555 6.896 1.337 79 HB2 CYS 12 HB2 CYS 12 -1.596 6.532 1.664 80 HB3 CYS 12 HB1 CYS 12 -2.581 7.198 2.958 81 H SER 13 HN SER 13 -1.697 8.661 1.997 82 HA SER 13 HA SER 13 -3.098 11.133 2.072 83 HB2 SER 13 HB2 SER 13 -1.290 10.519 3.682 84 HB3 SER 13 HB1 SER 13 -0.119 10.656 2.372 85 HG SER 13 HG SER 13 -0.068 12.621 3.265 86 H ASN 14 HN ASN 14 -0.159 10.317 0.300 87 HA ASN 14 HA ASN 14 -1.111 11.762 -2.063 88 HB2 ASN 14 HB2 ASN 14 1.478 12.311 -0.594 89 HB3 ASN 14 HB1 ASN 14 1.216 12.794 -2.266 90 HD21 ASN 14 HD21 ASN 14 0.340 13.332 1.050 91 HD22 ASN 14 HD22 ASN 14 -0.469 14.838 0.805 92 H GLY 15 HN GLY 15 1.216 11.535 -3.603 93 HA2 GLY 15 HA2 GLY 15 1.154 8.739 -4.274 94 HA3 GLY 15 HA1 GLY 15 2.096 9.987 -5.082 95 H LEU 16 HN LEU 16 1.943 8.432 -1.905 96 HA LEU 16 HA LEU 16 4.791 8.686 -1.497 97 HB2 LEU 16 HB2 LEU 16 3.978 7.275 0.659 98 HB3 LEU 16 HB1 LEU 16 3.884 9.019 0.547 99 HG LEU 16 HG LEU 16 1.481 8.736 -0.202 100 HD11 LEU 16 HD11 LEU 16 0.320 6.709 0.207 101 HD12 LEU 16 HD12 LEU 16 1.770 5.943 0.855 102 HD13 LEU 16 HD13 LEU 16 1.677 6.348 -0.859 103 HD21 LEU 16 HD21 LEU 16 2.157 9.379 2.076 104 HD22 LEU 16 HD22 LEU 16 2.126 7.674 2.530 105 HD23 LEU 16 HD23 LEU 16 0.642 8.480 2.025 106 H CYS 17 HN CYS 17 3.347 5.852 -0.223 107 HA CYS 17 HA CYS 17 4.649 4.093 -2.173 108 HB2 CYS 17 HB2 CYS 17 5.017 3.273 0.634 109 HB3 CYS 17 HB1 CYS 17 6.164 3.230 -0.699 110 H CYS 18 HN CYS 18 3.844 1.886 -2.083 111 HA CYS 18 HA CYS 18 1.445 1.471 -0.475 112 HB2 CYS 18 HB2 CYS 18 0.651 2.413 -2.581 113 HB3 CYS 18 HB1 CYS 18 1.503 1.166 -3.479 114 H SER 19 HN SER 19 1.362 -0.418 0.426 115 HA SER 19 HA SER 19 3.451 -2.305 0.204 116 HB2 SER 19 HB2 SER 19 0.787 -2.422 1.616 117 HB3 SER 19 HB1 SER 19 2.035 -3.651 1.779 118 HG SER 19 HG SER 19 2.609 -2.355 3.364 119 H GLN 20 HN GLN 20 3.361 -4.515 -0.256 120 HA GLN 20 HA GLN 20 2.675 -5.293 -2.747 121 HB2 GLN 20 HB2 GLN 20 3.031 -6.934 -0.269 122 HB3 GLN 20 HB1 GLN 20 2.779 -7.677 -1.842 123 HG2 GLN 20 HG2 GLN 20 4.784 -6.576 -2.690 124 HG3 GLN 20 HG1 GLN 20 5.032 -5.814 -1.120 125 HE21 GLN 20 HE21 GLN 20 5.719 -7.063 0.618 126 HE22 GLN 20 HE22 GLN 20 6.406 -8.633 0.407 127 H PHE 21 HN PHE 21 0.608 -5.634 0.047 128 HA PHE 21 HA PHE 21 -1.442 -7.059 -1.407 129 HB2 PHE 21 HB2 PHE 21 -1.293 -5.933 1.381 130 HB3 PHE 21 HB1 PHE 21 -2.748 -6.683 0.742 131 HD1 PHE 21 HD1 PHE 21 0.671 -7.223 1.852 132 HD2 PHE 21 HD2 PHE 21 -2.881 -9.032 0.384 133 HE1 PHE 21 HE1 PHE 21 1.534 -9.440 2.525 134 HE2 PHE 21 HE2 PHE 21 -2.036 -11.258 1.050 135 HZ PHE 21 HZ PHE 21 0.176 -11.458 2.122 136 H GLY 22 HN GLY 22 -0.917 -3.872 -0.106 137 HA2 GLY 22 HA2 GLY 22 -1.826 -2.138 -1.761 138 HA3 GLY 22 HA1 GLY 22 -3.370 -2.886 -1.373 139 H TYR 23 HN TYR 23 -0.552 -1.949 0.576 140 HA TYR 23 HA TYR 23 -2.366 -0.264 2.171 141 HB2 TYR 23 HB2 TYR 23 -1.109 -2.437 3.177 142 HB3 TYR 23 HB1 TYR 23 0.125 -1.216 3.472 143 HD1 TYR 23 HD1 TYR 23 -2.193 -2.906 5.158 144 HD2 TYR 23 HD2 TYR 23 -1.322 1.157 4.237 145 HE1 TYR 23 HE1 TYR 23 -3.428 -2.191 7.163 146 HE2 TYR 23 HE2 TYR 23 -2.555 1.883 6.241 147 HH TYR 23 HH TYR 23 -3.512 -0.265 8.687 148 H CYS 24 HN CYS 24 -2.054 1.705 1.510 149 HA CYS 24 HA CYS 24 0.499 2.671 0.604 150 HB2 CYS 24 HB2 CYS 24 -0.918 4.873 0.480 151 HB3 CYS 24 HB1 CYS 24 -1.221 3.574 -0.661 152 H GLY 25 HN GLY 25 1.899 3.959 1.565 153 HA2 GLY 25 HA2 GLY 25 1.306 5.475 3.930 154 HA3 GLY 25 HA1 GLY 25 2.284 4.054 4.259 155 H SER 26 HN SER 26 3.529 6.119 4.986 156 HA SER 26 HA SER 26 5.651 6.561 3.023 157 HB2 SER 26 HB2 SER 26 5.645 9.049 3.524 158 HB3 SER 26 HB1 SER 26 4.266 8.498 2.581 159 HG SER 26 HG SER 26 3.267 9.606 4.102 160 H THR 27 HN THR 27 4.626 5.917 6.112 161 HA THR 27 HA THR 27 7.259 6.319 7.251 162 HB THR 27 HB THR 27 6.500 8.397 7.936 163 HG1 THR 27 HG1 THR 27 5.513 6.939 10.143 164 HG21 THR 27 HG21 THR 27 4.124 8.019 7.177 165 HG22 THR 27 HG22 THR 27 4.302 9.002 8.629 166 HG23 THR 27 HG23 THR 27 3.806 7.316 8.764 167 HA PRO 28 HA PRO 28 4.749 3.281 10.052 168 HB2 PRO 28 HB2 PRO 28 2.453 2.290 8.578 169 HB3 PRO 28 HB1 PRO 28 2.462 3.234 10.077 170 HG2 PRO 28 HG2 PRO 28 1.483 4.199 7.755 171 HG3 PRO 28 HG1 PRO 28 2.236 5.228 8.992 172 HD2 PRO 28 HD2 PRO 28 3.495 4.076 6.502 173 HD3 PRO 28 HD1 PRO 28 3.531 5.753 7.097 174 HA PRO 29 HA PRO 29 6.242 -0.645 8.349 175 HB2 PRO 29 HB2 PRO 29 4.327 -2.565 8.893 176 HB3 PRO 29 HB1 PRO 29 5.491 -1.951 10.082 177 HG2 PRO 29 HG2 PRO 29 2.653 -1.146 9.642 178 HG3 PRO 29 HG1 PRO 29 3.512 -1.467 11.164 179 HD2 PRO 29 HD2 PRO 29 3.101 1.024 10.368 180 HD3 PRO 29 HD1 PRO 29 4.645 0.557 11.108 181 H TYR 30 HN TYR 30 5.050 0.942 6.465 182 HA TYR 30 HA TYR 30 4.201 -0.988 4.429 183 HB2 TYR 30 HB2 TYR 30 2.933 1.745 4.460 184 HB3 TYR 30 HB1 TYR 30 2.381 0.284 3.655 185 HD1 TYR 30 HD1 TYR 30 1.771 -1.688 5.389 186 HD2 TYR 30 HD2 TYR 30 1.715 2.473 6.272 187 HE1 TYR 30 HE1 TYR 30 0.229 -2.117 7.258 188 HE2 TYR 30 HE2 TYR 30 0.172 2.054 8.146 189 HH TYR 30 HH TYR 30 -1.459 0.358 8.847 190 H CYS 31 HN CYS 31 5.701 1.943 5.460 191 HA CYS 31 HA CYS 31 7.391 1.982 3.130 192 HB2 CYS 31 HB2 CYS 31 5.437 3.598 2.715 193 HB3 CYS 31 HB1 CYS 31 6.181 4.598 3.958 194 H GLY 32 HN GLY 32 8.911 1.244 4.533 195 HA2 GLY 32 HA2 GLY 32 10.801 2.889 5.546 196 HA3 GLY 32 HA1 GLY 32 9.677 2.716 6.894 197 H ALA 33 HN ALA 33 8.908 0.319 7.084 198 HA ALA 33 HA ALA 33 10.759 -1.757 6.464 199 HB1 ALA 33 HB1 ALA 33 10.612 -0.913 9.373 200 HB2 ALA 33 HB2 ALA 33 12.016 -0.723 8.321 201 HB3 ALA 33 HB3 ALA 33 11.445 -2.337 8.746 202 H GLY 34 HN GLY 34 9.074 -2.869 5.686 203 HA2 GLY 34 HA2 GLY 34 7.486 -4.397 7.459 204 HA3 GLY 34 HA1 GLY 34 6.520 -3.108 6.755 205 H GLN 35 HN GLN 35 6.043 -3.120 4.587 206 HA GLN 35 HA GLN 35 6.952 -5.326 2.921 207 HB2 GLN 35 HB2 GLN 35 4.451 -5.674 2.233 208 HB3 GLN 35 HB1 GLN 35 5.072 -6.471 3.667 209 HG2 GLN 35 HG2 GLN 35 4.095 -4.629 5.033 210 HG3 GLN 35 HG1 GLN 35 3.361 -3.992 3.564 211 HE21 GLN 35 HE21 GLN 35 1.682 -5.146 2.580 212 HE22 GLN 35 HE22 GLN 35 0.800 -6.368 3.422 213 H CYS 36 HN CYS 36 7.926 -3.050 2.418 214 HA CYS 36 HA CYS 36 6.322 -1.279 0.822 215 HB2 CYS 36 HB2 CYS 36 8.607 -0.264 0.293 216 HB3 CYS 36 HB1 CYS 36 8.095 -0.255 1.978 217 H GLN 37 HN GLN 37 5.740 -1.555 -1.222 218 HA GLN 37 HA GLN 37 7.315 -3.304 -2.968 219 HB2 GLN 37 HB2 GLN 37 4.778 -3.589 -2.561 220 HB3 GLN 37 HB1 GLN 37 4.592 -2.182 -3.597 221 HG2 GLN 37 HG2 GLN 37 5.861 -3.414 -5.358 222 HG3 GLN 37 HG1 GLN 37 5.787 -4.841 -4.325 223 HE21 GLN 37 HE21 GLN 37 3.855 -5.923 -4.078 224 HE22 GLN 37 HE22 GLN 37 2.476 -5.619 -5.074 225 H SER 38 HN SER 38 5.709 -0.116 -2.967 226 HA SER 38 HA SER 38 6.977 0.682 -5.430 227 HB2 SER 38 HB2 SER 38 4.627 1.353 -4.772 228 HB3 SER 38 HB1 SER 38 5.353 2.420 -3.572 229 HG SER 38 HG SER 38 4.886 3.478 -5.570 230 H GLN 39 HN GLN 39 6.984 1.987 -2.144 231 HA GLN 39 HA GLN 39 9.803 2.713 -2.421 232 HB2 GLN 39 HB2 GLN 39 7.559 4.625 -1.836 233 HB3 GLN 39 HB1 GLN 39 9.175 4.930 -1.216 234 HG2 GLN 39 HG2 GLN 39 10.042 4.845 -3.521 235 HG3 GLN 39 HG1 GLN 39 8.393 4.629 -4.107 236 HE21 GLN 39 HE21 GLN 39 6.958 6.352 -4.030 237 HE22 GLN 39 HE22 GLN 39 7.483 7.979 -3.787 238 H CYS 40 HN CYS 40 10.947 2.842 -0.487 239 HA CYS 40 HA CYS 40 9.513 1.858 1.892 240 HB2 CYS 40 HB2 CYS 40 11.399 0.454 0.514 241 HB3 CYS 40 HB1 CYS 40 12.397 1.268 1.714 Start of MODEL 18 1 H1 PHE 1 HT1 PHE 1 -6.597 -0.336 5.550 2 H2 PHE 1 HT2 PHE 1 -6.065 -1.934 5.705 3 H3 PHE 1 HT3 PHE 1 -7.670 -1.615 5.281 4 HA PHE 1 HA PHE 1 -5.291 -0.963 3.644 5 HB2 PHE 1 HB2 PHE 1 -7.341 -3.168 3.460 6 HB3 PHE 1 HB1 PHE 1 -6.341 -2.692 2.092 7 HD1 PHE 1 HD1 PHE 1 -3.995 -3.207 2.026 8 HD2 PHE 1 HD2 PHE 1 -6.370 -4.275 5.392 9 HE1 PHE 1 HE1 PHE 1 -2.209 -4.706 2.807 10 HE2 PHE 1 HE2 PHE 1 -4.586 -5.775 6.181 11 HZ PHE 1 HZ PHE 1 -2.501 -5.994 4.886 12 H GLN 2 HN GLN 2 -5.626 0.260 1.877 13 HA GLN 2 HA GLN 2 -8.353 1.008 1.116 14 HB2 GLN 2 HB2 GLN 2 -6.169 2.992 1.778 15 HB3 GLN 2 HB1 GLN 2 -7.672 3.413 0.974 16 HG2 GLN 2 HG2 GLN 2 -7.658 2.099 3.668 17 HG3 GLN 2 HG1 GLN 2 -7.470 3.842 3.490 18 HE21 GLN 2 HE21 GLN 2 -9.622 1.135 3.149 19 HE22 GLN 2 HE22 GLN 2 -11.077 2.051 2.975 20 H CYS 3 HN CYS 3 -4.937 1.101 0.413 21 HA CYS 3 HA CYS 3 -5.358 1.690 -2.414 22 HB2 CYS 3 HB2 CYS 3 -3.623 2.955 -1.385 23 HB3 CYS 3 HB1 CYS 3 -2.928 1.530 -0.630 24 H GLY 4 HN GLY 4 -3.922 0.451 -3.978 25 HA2 GLY 4 HA2 GLY 4 -3.201 -1.463 -5.007 26 HA3 GLY 4 HA1 GLY 4 -3.054 -2.192 -3.426 27 H ARG 5 HN ARG 5 -3.681 -4.087 -4.651 28 HA ARG 5 HA ARG 5 -6.375 -4.327 -5.619 29 HB2 ARG 5 HB2 ARG 5 -5.765 -6.736 -5.952 30 HB3 ARG 5 HB1 ARG 5 -4.680 -5.604 -6.746 31 HG2 ARG 5 HG2 ARG 5 -3.339 -5.897 -4.470 32 HG3 ARG 5 HG1 ARG 5 -4.177 -7.452 -4.490 33 HD2 ARG 5 HD2 ARG 5 -3.365 -7.794 -6.802 34 HD3 ARG 5 HD1 ARG 5 -2.441 -6.300 -6.660 35 HE ARG 5 HE ARG 5 -1.807 -8.079 -4.542 36 HH11 ARG 5 HH11 ARG 5 -1.187 -7.587 -7.965 37 HH12 ARG 5 HH12 ARG 5 0.335 -8.414 -7.925 38 HH21 ARG 5 HH21 ARG 5 1.112 -9.300 -5.972 39 HH22 ARG 5 HH22 ARG 5 0.188 -9.156 -4.514 40 H GLN 6 HN GLN 6 -4.976 -4.523 -2.528 41 HA GLN 6 HA GLN 6 -6.497 -6.581 -1.308 42 HB2 GLN 6 HB2 GLN 6 -4.487 -4.899 -0.491 43 HB3 GLN 6 HB1 GLN 6 -5.868 -4.261 0.389 44 HG2 GLN 6 HG2 GLN 6 -4.977 -7.147 0.453 45 HG3 GLN 6 HG1 GLN 6 -4.562 -5.940 1.668 46 HE21 GLN 6 HE21 GLN 6 -7.079 -7.929 0.333 47 HE22 GLN 6 HE22 GLN 6 -8.211 -7.723 1.622 48 H ALA 7 HN ALA 7 -7.249 -3.488 -2.448 49 HA ALA 7 HA ALA 7 -9.910 -3.504 -1.215 50 HB1 ALA 7 HB1 ALA 7 -8.160 -1.109 -1.718 51 HB2 ALA 7 HB2 ALA 7 -8.501 -1.824 -0.143 52 HB3 ALA 7 HB3 ALA 7 -9.800 -1.072 -1.070 53 H GLY 8 HN GLY 8 -7.868 -2.555 -3.897 54 HA2 GLY 8 HA2 GLY 8 -9.238 -3.264 -6.055 55 HA3 GLY 8 HA1 GLY 8 -10.138 -1.832 -5.580 56 H GLY 9 HN GLY 9 -8.725 0.143 -5.182 57 HA2 GLY 9 HA2 GLY 9 -6.192 0.454 -6.344 58 HA3 GLY 9 HA1 GLY 9 -7.394 0.835 -7.567 59 H ALA 10 HN ALA 10 -5.958 1.814 -4.527 60 HA ALA 10 HA ALA 10 -6.967 4.532 -4.942 61 HB1 ALA 10 HB1 ALA 10 -7.650 4.781 -2.614 62 HB2 ALA 10 HB2 ALA 10 -7.225 3.100 -2.294 63 HB3 ALA 10 HB3 ALA 10 -8.553 3.480 -3.390 64 H ARG 11 HN ARG 11 -5.952 5.951 -2.986 65 HA ARG 11 HA ARG 11 -3.160 5.181 -2.499 66 HB2 ARG 11 HB2 ARG 11 -4.086 7.704 -3.877 67 HB3 ARG 11 HB1 ARG 11 -2.522 7.594 -3.084 68 HG2 ARG 11 HG2 ARG 11 -1.779 5.916 -4.592 69 HG3 ARG 11 HG1 ARG 11 -3.399 5.709 -5.258 70 HD2 ARG 11 HD2 ARG 11 -2.169 6.984 -6.835 71 HD3 ARG 11 HD1 ARG 11 -3.272 8.098 -6.033 72 HE ARG 11 HE ARG 11 -0.879 8.208 -4.640 73 HH11 ARG 11 HH11 ARG 11 -1.960 8.954 -7.897 74 HH12 ARG 11 HH12 ARG 11 -0.769 10.189 -8.133 75 HH21 ARG 11 HH21 ARG 11 0.666 9.834 -4.969 76 HH22 ARG 11 HH22 ARG 11 0.717 10.685 -6.476 77 H CYS 12 HN CYS 12 -2.170 6.297 -0.705 78 HA CYS 12 HA CYS 12 -4.114 7.018 1.311 79 HB2 CYS 12 HB2 CYS 12 -1.205 6.421 1.341 80 HB3 CYS 12 HB1 CYS 12 -1.878 7.335 2.682 81 H SER 13 HN SER 13 -1.168 8.713 1.749 82 HA SER 13 HA SER 13 -2.583 11.211 1.900 83 HB2 SER 13 HB2 SER 13 -0.945 10.530 3.638 84 HB3 SER 13 HB1 SER 13 0.342 10.638 2.439 85 HG SER 13 HG SER 13 -0.489 12.558 3.954 86 H ASN 14 HN ASN 14 0.585 10.615 0.454 87 HA ASN 14 HA ASN 14 -0.206 12.159 -1.922 88 HB2 ASN 14 HB2 ASN 14 2.240 12.570 -0.194 89 HB3 ASN 14 HB1 ASN 14 2.129 13.190 -1.837 90 HD21 ASN 14 HD21 ASN 14 0.955 13.460 1.418 91 HD22 ASN 14 HD22 ASN 14 0.165 14.984 1.224 92 H GLY 15 HN GLY 15 2.390 12.068 -3.133 93 HA2 GLY 15 HA2 GLY 15 2.277 9.474 -4.313 94 HA3 GLY 15 HA1 GLY 15 3.463 10.723 -4.656 95 H LEU 16 HN LEU 16 2.544 8.456 -2.114 96 HA LEU 16 HA LEU 16 5.312 8.206 -1.225 97 HB2 LEU 16 HB2 LEU 16 4.027 6.710 0.571 98 HB3 LEU 16 HB1 LEU 16 4.073 8.453 0.695 99 HG LEU 16 HG LEU 16 1.800 8.308 -0.625 100 HD11 LEU 16 HD11 LEU 16 2.009 5.834 -0.932 101 HD12 LEU 16 HD12 LEU 16 0.485 6.399 -0.252 102 HD13 LEU 16 HD13 LEU 16 1.704 5.677 0.798 103 HD21 LEU 16 HD21 LEU 16 1.985 7.594 2.286 104 HD22 LEU 16 HD22 LEU 16 0.596 8.310 1.469 105 HD23 LEU 16 HD23 LEU 16 2.095 9.225 1.621 106 H CYS 17 HN CYS 17 3.707 5.427 -0.373 107 HA CYS 17 HA CYS 17 4.355 3.901 -2.774 108 HB2 CYS 17 HB2 CYS 17 5.371 2.227 -0.829 109 HB3 CYS 17 HB1 CYS 17 6.336 3.219 -1.911 110 H CYS 18 HN CYS 18 3.608 1.550 -2.491 111 HA CYS 18 HA CYS 18 1.393 1.310 -0.598 112 HB2 CYS 18 HB2 CYS 18 0.516 2.231 -2.748 113 HB3 CYS 18 HB1 CYS 18 1.059 0.766 -3.552 114 H SER 19 HN SER 19 1.501 -0.494 0.443 115 HA SER 19 HA SER 19 3.435 -2.450 0.133 116 HB2 SER 19 HB2 SER 19 0.814 -2.507 1.616 117 HB3 SER 19 HB1 SER 19 2.025 -3.779 1.743 118 HG SER 19 HG SER 19 2.413 -2.345 3.385 119 H GLN 20 HN GLN 20 3.387 -4.625 -0.319 120 HA GLN 20 HA GLN 20 2.703 -5.495 -2.752 121 HB2 GLN 20 HB2 GLN 20 3.042 -7.023 -0.206 122 HB3 GLN 20 HB1 GLN 20 2.759 -7.853 -1.728 123 HG2 GLN 20 HG2 GLN 20 4.767 -6.852 -2.666 124 HG3 GLN 20 HG1 GLN 20 5.040 -5.971 -1.163 125 HE21 GLN 20 HE21 GLN 20 5.119 -9.069 -2.731 126 HE22 GLN 20 HE22 GLN 20 6.029 -9.891 -1.514 127 H PHE 21 HN PHE 21 0.585 -5.803 0.021 128 HA PHE 21 HA PHE 21 -1.445 -7.203 -1.500 129 HB2 PHE 21 HB2 PHE 21 -1.313 -6.213 1.341 130 HB3 PHE 21 HB1 PHE 21 -2.768 -6.924 0.659 131 HD1 PHE 21 HD1 PHE 21 -2.892 -9.260 0.151 132 HD2 PHE 21 HD2 PHE 21 0.627 -7.534 1.794 133 HE1 PHE 21 HE1 PHE 21 -2.057 -11.517 0.711 134 HE2 PHE 21 HE2 PHE 21 1.478 -9.783 2.361 135 HZ PHE 21 HZ PHE 21 0.132 -11.777 1.817 136 H GLY 22 HN GLY 22 -0.957 -4.076 -0.043 137 HA2 GLY 22 HA2 GLY 22 -1.866 -2.285 -1.653 138 HA3 GLY 22 HA1 GLY 22 -3.409 -3.039 -1.268 139 H TYR 23 HN TYR 23 -0.558 -2.183 0.662 140 HA TYR 23 HA TYR 23 -2.327 -0.538 2.349 141 HB2 TYR 23 HB2 TYR 23 -1.010 -2.757 3.233 142 HB3 TYR 23 HB1 TYR 23 0.172 -1.506 3.597 143 HD1 TYR 23 HD1 TYR 23 -1.568 0.767 4.374 144 HD2 TYR 23 HD2 TYR 23 -1.879 -3.377 5.293 145 HE1 TYR 23 HE1 TYR 23 -2.832 1.321 6.412 146 HE2 TYR 23 HE2 TYR 23 -3.144 -2.834 7.332 147 HH TYR 23 HH TYR 23 -3.434 -0.934 8.870 148 H CYS 24 HN CYS 24 -2.001 1.468 1.807 149 HA CYS 24 HA CYS 24 0.634 2.404 1.015 150 HB2 CYS 24 HB2 CYS 24 -0.646 4.533 0.493 151 HB3 CYS 24 HB1 CYS 24 -1.139 3.116 -0.423 152 H GLY 25 HN GLY 25 1.690 4.140 1.927 153 HA2 GLY 25 HA2 GLY 25 0.821 5.536 4.236 154 HA3 GLY 25 HA1 GLY 25 1.884 4.211 4.693 155 H SER 26 HN SER 26 3.068 6.211 5.486 156 HA SER 26 HA SER 26 5.217 6.800 3.621 157 HB2 SER 26 HB2 SER 26 5.043 9.313 4.121 158 HB3 SER 26 HB1 SER 26 3.836 8.668 3.013 159 HG SER 26 HG SER 26 3.449 9.071 5.796 160 H THR 27 HN THR 27 4.221 5.906 6.538 161 HA THR 27 HA THR 27 6.702 6.580 7.843 162 HB THR 27 HB THR 27 5.606 8.520 8.556 163 HG1 THR 27 HG1 THR 27 6.538 7.389 10.309 164 HG21 THR 27 HG21 THR 27 3.153 6.929 9.326 165 HG22 THR 27 HG22 THR 27 3.311 7.884 7.851 166 HG23 THR 27 HG23 THR 27 3.356 8.678 9.425 167 HA PRO 28 HA PRO 28 4.506 3.043 10.262 168 HB2 PRO 28 HB2 PRO 28 2.316 1.964 8.712 169 HB3 PRO 28 HB1 PRO 28 2.228 2.825 10.258 170 HG2 PRO 28 HG2 PRO 28 1.192 3.814 7.961 171 HG3 PRO 28 HG1 PRO 28 1.812 4.839 9.274 172 HD2 PRO 28 HD2 PRO 28 3.240 3.954 6.761 173 HD3 PRO 28 HD1 PRO 28 3.088 5.596 7.439 174 HA PRO 29 HA PRO 29 6.371 -0.523 8.200 175 HB2 PRO 29 HB2 PRO 29 4.739 -2.695 8.659 176 HB3 PRO 29 HB1 PRO 29 5.832 -2.004 9.873 177 HG2 PRO 29 HG2 PRO 29 2.906 -1.559 9.510 178 HG3 PRO 29 HG1 PRO 29 3.824 -1.863 11.000 179 HD2 PRO 29 HD2 PRO 29 3.073 0.602 10.357 180 HD3 PRO 29 HD1 PRO 29 4.661 0.294 11.085 181 H TYR 30 HN TYR 30 5.022 1.021 6.420 182 HA TYR 30 HA TYR 30 4.255 -0.881 4.320 183 HB2 TYR 30 HB2 TYR 30 2.805 1.752 4.469 184 HB3 TYR 30 HB1 TYR 30 2.332 0.279 3.640 185 HD1 TYR 30 HD1 TYR 30 1.981 -1.770 5.416 186 HD2 TYR 30 HD2 TYR 30 1.476 2.374 6.233 187 HE1 TYR 30 HE1 TYR 30 0.492 -2.336 7.291 188 HE2 TYR 30 HE2 TYR 30 -0.014 1.817 8.116 189 HH TYR 30 HH TYR 30 -1.456 -0.040 8.843 190 H CYS 31 HN CYS 31 5.479 2.163 5.417 191 HA CYS 31 HA CYS 31 7.061 2.469 3.010 192 HB2 CYS 31 HB2 CYS 31 5.133 4.535 4.023 193 HB3 CYS 31 HB1 CYS 31 6.544 4.987 3.068 194 H GLY 32 HN GLY 32 8.683 1.735 4.352 195 HA2 GLY 32 HA2 GLY 32 10.534 3.442 5.314 196 HA3 GLY 32 HA1 GLY 32 9.484 3.202 6.708 197 H ALA 33 HN ALA 33 8.845 0.779 6.933 198 HA ALA 33 HA ALA 33 10.752 -1.209 6.187 199 HB1 ALA 33 HB1 ALA 33 10.728 -0.392 9.106 200 HB2 ALA 33 HB2 ALA 33 12.060 -0.130 7.980 201 HB3 ALA 33 HB3 ALA 33 11.589 -1.770 8.422 202 H GLY 34 HN GLY 34 9.135 -2.472 5.522 203 HA2 GLY 34 HA2 GLY 34 7.698 -4.039 7.383 204 HA3 GLY 34 HA1 GLY 34 6.634 -2.818 6.699 205 H GLN 35 HN GLN 35 5.881 -3.028 4.670 206 HA GLN 35 HA GLN 35 6.877 -5.210 2.990 207 HB2 GLN 35 HB2 GLN 35 4.406 -5.709 2.423 208 HB3 GLN 35 HB1 GLN 35 5.061 -6.341 3.923 209 HG2 GLN 35 HG2 GLN 35 4.008 -4.446 5.127 210 HG3 GLN 35 HG1 GLN 35 3.278 -3.931 3.610 211 HE21 GLN 35 HE21 GLN 35 1.640 -5.192 2.690 212 HE22 GLN 35 HE22 GLN 35 0.774 -6.371 3.607 213 H CYS 36 HN CYS 36 7.708 -2.824 2.452 214 HA CYS 36 HA CYS 36 5.966 -1.300 0.732 215 HB2 CYS 36 HB2 CYS 36 8.066 0.021 0.290 216 HB3 CYS 36 HB1 CYS 36 7.592 -0.080 1.982 217 H GLN 37 HN GLN 37 5.598 -1.609 -1.354 218 HA GLN 37 HA GLN 37 7.317 -3.428 -2.875 219 HB2 GLN 37 HB2 GLN 37 4.769 -3.732 -2.610 220 HB3 GLN 37 HB1 GLN 37 4.624 -2.398 -3.741 221 HG2 GLN 37 HG2 GLN 37 6.023 -3.726 -5.337 222 HG3 GLN 37 HG1 GLN 37 5.875 -5.084 -4.224 223 HE21 GLN 37 HE21 GLN 37 3.893 -6.112 -3.996 224 HE22 GLN 37 HE22 GLN 37 2.598 -5.884 -5.115 225 H SER 38 HN SER 38 5.682 -0.270 -3.218 226 HA SER 38 HA SER 38 7.005 0.340 -5.688 227 HB2 SER 38 HB2 SER 38 5.241 2.020 -3.907 228 HB3 SER 38 HB1 SER 38 5.845 2.540 -5.480 229 HG SER 38 HG SER 38 4.771 0.668 -6.358 230 H GLN 39 HN GLN 39 7.078 1.920 -2.523 231 HA GLN 39 HA GLN 39 9.867 2.676 -2.994 232 HB2 GLN 39 HB2 GLN 39 7.764 4.476 -3.112 233 HB3 GLN 39 HB1 GLN 39 8.362 4.666 -1.468 234 HG2 GLN 39 HG2 GLN 39 10.629 5.008 -2.404 235 HG3 GLN 39 HG1 GLN 39 9.918 4.968 -4.016 236 HE21 GLN 39 HE21 GLN 39 10.227 6.762 -1.059 237 HE22 GLN 39 HE22 GLN 39 9.593 8.254 -1.657 238 H CYS 40 HN CYS 40 11.175 2.797 -1.184 239 HA CYS 40 HA CYS 40 9.980 1.950 1.369 240 HB2 CYS 40 HB2 CYS 40 12.586 0.954 0.193 241 HB3 CYS 40 HB1 CYS 40 11.956 0.537 1.783 Start of MODEL 19 1 H1 PHE 1 HT1 PHE 1 -7.872 -0.722 4.552 2 H2 PHE 1 HT2 PHE 1 -6.716 0.415 5.033 3 H3 PHE 1 HT3 PHE 1 -6.400 -1.236 5.211 4 HA PHE 1 HA PHE 1 -5.206 -0.311 3.331 5 HB2 PHE 1 HB2 PHE 1 -7.410 -2.294 2.767 6 HB3 PHE 1 HB1 PHE 1 -6.166 -1.905 1.583 7 HD1 PHE 1 HD1 PHE 1 -6.834 -3.455 4.844 8 HD2 PHE 1 HD2 PHE 1 -3.934 -2.718 1.817 9 HE1 PHE 1 HE1 PHE 1 -5.353 -5.134 5.863 10 HE2 PHE 1 HE2 PHE 1 -2.447 -4.400 2.830 11 HZ PHE 1 HZ PHE 1 -3.156 -5.609 4.856 12 H GLN 2 HN GLN 2 -5.134 0.969 1.574 13 HA GLN 2 HA GLN 2 -7.620 1.993 0.407 14 HB2 GLN 2 HB2 GLN 2 -5.447 3.702 1.629 15 HB3 GLN 2 HB1 GLN 2 -6.613 4.335 0.477 16 HG2 GLN 2 HG2 GLN 2 -8.433 3.712 2.005 17 HG3 GLN 2 HG1 GLN 2 -7.239 3.133 3.165 18 HE21 GLN 2 HE21 GLN 2 -5.960 4.616 4.268 19 HE22 GLN 2 HE22 GLN 2 -6.355 6.296 4.342 20 H CYS 3 HN CYS 3 -5.249 0.246 -0.406 21 HA CYS 3 HA CYS 3 -4.854 1.441 -3.032 22 HB2 CYS 3 HB2 CYS 3 -2.972 2.337 -1.714 23 HB3 CYS 3 HB1 CYS 3 -2.506 0.703 -1.261 24 H GLY 4 HN GLY 4 -3.752 -0.043 -4.543 25 HA2 GLY 4 HA2 GLY 4 -3.431 -2.057 -5.575 26 HA3 GLY 4 HA1 GLY 4 -3.176 -2.739 -3.983 27 H ARG 5 HN ARG 5 -4.142 -4.639 -4.573 28 HA ARG 5 HA ARG 5 -6.939 -4.670 -5.366 29 HB2 ARG 5 HB2 ARG 5 -6.601 -7.137 -5.545 30 HB3 ARG 5 HB1 ARG 5 -5.532 -6.190 -6.567 31 HG2 ARG 5 HG2 ARG 5 -3.753 -6.468 -4.853 32 HG3 ARG 5 HG1 ARG 5 -4.838 -7.563 -3.986 33 HD2 ARG 5 HD2 ARG 5 -5.004 -8.948 -5.990 34 HD3 ARG 5 HD1 ARG 5 -3.868 -7.876 -6.808 35 HE ARG 5 HE ARG 5 -2.533 -8.665 -4.570 36 HH11 ARG 5 HH11 ARG 5 -4.063 -10.428 -7.195 37 HH12 ARG 5 HH12 ARG 5 -2.981 -11.775 -7.072 38 HH21 ARG 5 HH21 ARG 5 -1.325 -11.782 -5.506 39 HH22 ARG 5 HH22 ARG 5 -1.132 -10.441 -4.427 40 H GLN 6 HN GLN 6 -5.187 -4.716 -2.473 41 HA GLN 6 HA GLN 6 -6.650 -6.536 -0.880 42 HB2 GLN 6 HB2 GLN 6 -4.480 -4.872 -0.502 43 HB3 GLN 6 HB1 GLN 6 -5.711 -4.142 0.519 44 HG2 GLN 6 HG2 GLN 6 -4.881 -7.044 0.646 45 HG3 GLN 6 HG1 GLN 6 -4.275 -5.777 1.710 46 HE21 GLN 6 HE21 GLN 6 -5.743 -8.243 2.303 47 HE22 GLN 6 HE22 GLN 6 -7.151 -7.760 3.180 48 H ALA 7 HN ALA 7 -7.257 -3.350 -2.018 49 HA ALA 7 HA ALA 7 -9.646 -3.027 -0.351 50 HB1 ALA 7 HB1 ALA 7 -8.098 -0.993 -1.940 51 HB2 ALA 7 HB2 ALA 7 -7.984 -1.243 -0.198 52 HB3 ALA 7 HB3 ALA 7 -9.489 -0.658 -0.909 53 H GLY 8 HN GLY 8 -8.435 -3.105 -3.622 54 HA2 GLY 8 HA2 GLY 8 -10.020 -4.167 -5.245 55 HA3 GLY 8 HA1 GLY 8 -11.198 -3.001 -4.665 56 H GLY 9 HN GLY 9 -9.915 -0.666 -4.618 57 HA2 GLY 9 HA2 GLY 9 -8.224 -0.031 -6.765 58 HA3 GLY 9 HA1 GLY 9 -9.884 0.161 -7.308 59 H ALA 10 HN ALA 10 -7.521 1.221 -4.910 60 HA ALA 10 HA ALA 10 -8.909 3.813 -4.751 61 HB1 ALA 10 HB1 ALA 10 -9.459 2.517 -2.746 62 HB2 ALA 10 HB2 ALA 10 -8.474 3.926 -2.350 63 HB3 ALA 10 HB3 ALA 10 -7.741 2.323 -2.398 64 H ARG 11 HN ARG 11 -7.195 5.248 -3.193 65 HA ARG 11 HA ARG 11 -4.499 4.911 -4.285 66 HB2 ARG 11 HB2 ARG 11 -4.400 7.375 -4.850 67 HB3 ARG 11 HB1 ARG 11 -5.464 6.438 -5.885 68 HG2 ARG 11 HG2 ARG 11 -7.401 7.263 -4.603 69 HG3 ARG 11 HG1 ARG 11 -6.311 8.237 -3.617 70 HD2 ARG 11 HD2 ARG 11 -6.461 8.479 -6.613 71 HD3 ARG 11 HD1 ARG 11 -7.476 9.428 -5.529 72 HE ARG 11 HE ARG 11 -4.844 9.767 -4.699 73 HH11 ARG 11 HH11 ARG 11 -6.757 10.540 -7.541 74 HH12 ARG 11 HH12 ARG 11 -5.804 11.928 -7.945 75 HH21 ARG 11 HH21 ARG 11 -3.612 11.587 -5.248 76 HH22 ARG 11 HH22 ARG 11 -4.025 12.519 -6.648 77 H CYS 12 HN CYS 12 -2.851 6.142 -3.190 78 HA CYS 12 HA CYS 12 -3.175 6.117 -0.365 79 HB2 CYS 12 HB2 CYS 12 -0.905 6.950 -2.162 80 HB3 CYS 12 HB1 CYS 12 -0.786 6.920 -0.407 81 H SER 13 HN SER 13 -2.147 7.931 0.994 82 HA SER 13 HA SER 13 -3.818 10.161 1.031 83 HB2 SER 13 HB2 SER 13 -2.407 9.181 2.959 84 HB3 SER 13 HB1 SER 13 -1.073 10.133 2.307 85 HG SER 13 HG SER 13 -1.919 11.597 3.577 86 H ASN 14 HN ASN 14 -0.455 9.941 0.055 87 HA ASN 14 HA ASN 14 -0.775 12.174 -1.811 88 HB2 ASN 14 HB2 ASN 14 1.340 11.984 0.349 89 HB3 ASN 14 HB1 ASN 14 1.514 13.022 -1.061 90 HD21 ASN 14 HD21 ASN 14 0.185 14.825 -1.277 91 HD22 ASN 14 HD22 ASN 14 -0.695 15.479 0.059 92 H GLY 15 HN GLY 15 1.846 12.282 -2.755 93 HA2 GLY 15 HA2 GLY 15 1.981 9.846 -4.286 94 HA3 GLY 15 HA1 GLY 15 3.060 11.228 -4.426 95 H LEU 16 HN LEU 16 2.228 8.780 -1.996 96 HA LEU 16 HA LEU 16 5.017 8.648 -1.155 97 HB2 LEU 16 HB2 LEU 16 3.977 7.200 0.729 98 HB3 LEU 16 HB1 LEU 16 3.719 8.931 0.742 99 HG LEU 16 HG LEU 16 1.507 7.991 -0.626 100 HD11 LEU 16 HD11 LEU 16 1.677 5.733 -0.183 101 HD12 LEU 16 HD12 LEU 16 0.634 6.313 1.115 102 HD13 LEU 16 HD13 LEU 16 2.334 5.996 1.431 103 HD21 LEU 16 HD21 LEU 16 0.283 8.588 1.374 104 HD22 LEU 16 HD22 LEU 16 1.558 9.761 1.043 105 HD23 LEU 16 HD23 LEU 16 1.774 8.554 2.311 106 H CYS 17 HN CYS 17 3.474 5.794 -0.282 107 HA CYS 17 HA CYS 17 4.443 4.297 -2.610 108 HB2 CYS 17 HB2 CYS 17 5.144 2.951 -0.131 109 HB3 CYS 17 HB1 CYS 17 6.163 3.327 -1.515 110 H CYS 18 HN CYS 18 3.882 1.886 -2.339 111 HA CYS 18 HA CYS 18 1.406 1.460 -0.828 112 HB2 CYS 18 HB2 CYS 18 0.710 2.199 -3.056 113 HB3 CYS 18 HB1 CYS 18 1.695 0.946 -3.798 114 H SER 19 HN SER 19 1.390 -0.425 0.189 115 HA SER 19 HA SER 19 3.563 -2.249 0.046 116 HB2 SER 19 HB2 SER 19 0.922 -2.389 1.501 117 HB3 SER 19 HB1 SER 19 2.225 -3.555 1.712 118 HG SER 19 HG SER 19 3.447 -2.042 2.675 119 H GLN 20 HN GLN 20 3.513 -4.484 -0.317 120 HA GLN 20 HA GLN 20 2.865 -5.439 -2.728 121 HB2 GLN 20 HB2 GLN 20 3.067 -6.927 -0.138 122 HB3 GLN 20 HB1 GLN 20 2.903 -7.754 -1.680 123 HG2 GLN 20 HG2 GLN 20 4.974 -6.757 -2.460 124 HG3 GLN 20 HG1 GLN 20 5.126 -5.857 -0.952 125 HE21 GLN 20 HE21 GLN 20 5.678 -6.952 0.936 126 HE22 GLN 20 HE22 GLN 20 6.367 -8.535 0.909 127 H PHE 21 HN PHE 21 0.682 -5.702 0.010 128 HA PHE 21 HA PHE 21 -1.307 -7.115 -1.551 129 HB2 PHE 21 HB2 PHE 21 -1.230 -6.118 1.285 130 HB3 PHE 21 HB1 PHE 21 -2.685 -6.796 0.574 131 HD1 PHE 21 HD1 PHE 21 -2.871 -9.121 0.080 132 HD2 PHE 21 HD2 PHE 21 0.688 -7.493 1.736 133 HE1 PHE 21 HE1 PHE 21 -2.103 -11.399 0.645 134 HE2 PHE 21 HE2 PHE 21 1.472 -9.765 2.308 135 HZ PHE 21 HZ PHE 21 0.073 -11.720 1.760 136 H GLY 22 HN GLY 22 -0.720 -3.920 -0.366 137 HA2 GLY 22 HA2 GLY 22 -1.682 -2.175 -1.911 138 HA3 GLY 22 HA1 GLY 22 -3.220 -2.969 -1.593 139 H TYR 23 HN TYR 23 -0.480 -1.973 0.446 140 HA TYR 23 HA TYR 23 -2.402 -0.466 2.100 141 HB2 TYR 23 HB2 TYR 23 -0.995 -2.586 3.011 142 HB3 TYR 23 HB1 TYR 23 0.160 -1.299 3.345 143 HD1 TYR 23 HD1 TYR 23 -1.738 -3.199 5.133 144 HD2 TYR 23 HD2 TYR 23 -1.704 0.926 4.087 145 HE1 TYR 23 HE1 TYR 23 -2.991 -2.673 7.185 146 HE2 TYR 23 HE2 TYR 23 -2.958 1.462 6.135 147 HH TYR 23 HH TYR 23 -4.457 0.341 7.724 148 H CYS 24 HN CYS 24 -2.114 1.608 2.253 149 HA CYS 24 HA CYS 24 0.142 2.868 0.974 150 HB2 CYS 24 HB2 CYS 24 -2.398 3.886 2.208 151 HB3 CYS 24 HB1 CYS 24 -1.144 4.968 1.607 152 H GLY 25 HN GLY 25 1.629 4.199 1.851 153 HA2 GLY 25 HA2 GLY 25 1.671 5.153 4.484 154 HA3 GLY 25 HA1 GLY 25 2.568 3.652 4.428 155 H SER 26 HN SER 26 3.601 6.090 5.127 156 HA SER 26 HA SER 26 5.839 6.344 3.270 157 HB2 SER 26 HB2 SER 26 3.969 8.119 2.771 158 HB3 SER 26 HB1 SER 26 4.548 8.884 4.244 159 HG SER 26 HG SER 26 6.205 8.199 2.047 160 H THR 27 HN THR 27 4.747 5.693 6.134 161 HA THR 27 HA THR 27 7.056 6.557 7.614 162 HB THR 27 HB THR 27 6.013 8.498 8.237 163 HG1 THR 27 HG1 THR 27 4.413 7.202 10.086 164 HG21 THR 27 HG21 THR 27 3.728 9.011 8.153 165 HG22 THR 27 HG22 THR 27 3.241 7.331 8.367 166 HG23 THR 27 HG23 THR 27 3.934 7.859 6.833 167 HA PRO 28 HA PRO 28 4.659 3.224 10.098 168 HB2 PRO 28 HB2 PRO 28 2.345 2.238 8.723 169 HB3 PRO 28 HB1 PRO 28 2.372 3.338 10.112 170 HG2 PRO 28 HG2 PRO 28 1.446 4.053 7.645 171 HG3 PRO 28 HG1 PRO 28 2.115 5.196 8.823 172 HD2 PRO 28 HD2 PRO 28 3.540 3.837 6.528 173 HD3 PRO 28 HD1 PRO 28 3.503 5.571 6.945 174 HA PRO 29 HA PRO 29 6.087 -0.676 8.311 175 HB2 PRO 29 HB2 PRO 29 3.711 -2.225 9.185 176 HB3 PRO 29 HB1 PRO 29 5.414 -2.423 9.640 177 HG2 PRO 29 HG2 PRO 29 3.682 -1.457 11.373 178 HG3 PRO 29 HG1 PRO 29 5.320 -0.777 11.252 179 HD2 PRO 29 HD2 PRO 29 2.760 0.283 10.110 180 HD3 PRO 29 HD1 PRO 29 4.036 1.145 10.999 181 H TYR 30 HN TYR 30 4.907 0.788 6.395 182 HA TYR 30 HA TYR 30 3.844 -1.214 4.528 183 HB2 TYR 30 HB2 TYR 30 2.751 1.581 4.405 184 HB3 TYR 30 HB1 TYR 30 2.075 0.110 3.741 185 HD1 TYR 30 HD1 TYR 30 1.554 -1.683 5.773 186 HD2 TYR 30 HD2 TYR 30 1.477 2.557 6.059 187 HE1 TYR 30 HE1 TYR 30 0.037 -1.855 7.701 188 HE2 TYR 30 HE2 TYR 30 -0.040 2.396 7.995 189 HH TYR 30 HH TYR 30 -1.642 0.816 8.955 190 H CYS 31 HN CYS 31 5.457 1.762 5.272 191 HA CYS 31 HA CYS 31 7.226 1.488 3.054 192 HB2 CYS 31 HB2 CYS 31 5.340 2.859 2.105 193 HB3 CYS 31 HB1 CYS 31 5.771 4.109 3.268 194 H GLY 32 HN GLY 32 8.752 1.169 4.498 195 HA2 GLY 32 HA2 GLY 32 10.436 3.090 5.380 196 HA3 GLY 32 HA1 GLY 32 9.276 2.955 6.702 197 H ALA 33 HN ALA 33 8.672 0.388 6.810 198 HA ALA 33 HA ALA 33 10.764 -1.490 6.574 199 HB1 ALA 33 HB1 ALA 33 11.278 -1.879 8.944 200 HB2 ALA 33 HB2 ALA 33 10.265 -0.510 9.402 201 HB3 ALA 33 HB3 ALA 33 11.739 -0.243 8.474 202 H GLY 34 HN GLY 34 9.198 -2.718 5.674 203 HA2 GLY 34 HA2 GLY 34 7.682 -4.410 7.325 204 HA3 GLY 34 HA1 GLY 34 6.619 -3.165 6.682 205 H GLN 35 HN GLN 35 6.170 -3.091 4.496 206 HA GLN 35 HA GLN 35 7.233 -5.186 2.770 207 HB2 GLN 35 HB2 GLN 35 4.822 -5.661 1.984 208 HB3 GLN 35 HB1 GLN 35 5.358 -6.387 3.489 209 HG2 GLN 35 HG2 GLN 35 4.112 -4.816 4.780 210 HG3 GLN 35 HG1 GLN 35 3.747 -3.848 3.355 211 HE21 GLN 35 HE21 GLN 35 3.030 -6.756 5.113 212 HE22 GLN 35 HE22 GLN 35 1.574 -7.151 4.270 213 H CYS 36 HN CYS 36 8.114 -2.808 2.391 214 HA CYS 36 HA CYS 36 6.481 -1.097 0.766 215 HB2 CYS 36 HB2 CYS 36 8.432 -0.361 2.189 216 HB3 CYS 36 HB1 CYS 36 9.495 -1.079 0.984 217 H GLN 37 HN GLN 37 5.833 -1.635 -1.229 218 HA GLN 37 HA GLN 37 7.597 -3.214 -2.957 219 HB2 GLN 37 HB2 GLN 37 5.109 -3.771 -2.470 220 HB3 GLN 37 HB1 GLN 37 4.758 -2.468 -3.596 221 HG2 GLN 37 HG2 GLN 37 6.247 -3.704 -5.243 222 HG3 GLN 37 HG1 GLN 37 6.150 -5.068 -4.132 223 HE21 GLN 37 HE21 GLN 37 4.229 -6.186 -3.927 224 HE22 GLN 37 HE22 GLN 37 2.905 -5.979 -5.016 225 H SER 38 HN SER 38 5.533 -0.314 -3.089 226 HA SER 38 HA SER 38 6.508 0.569 -5.627 227 HB2 SER 38 HB2 SER 38 4.924 2.085 -3.535 228 HB3 SER 38 HB1 SER 38 5.114 2.545 -5.226 229 HG SER 38 HG SER 38 3.407 1.368 -5.537 230 H GLN 39 HN GLN 39 6.743 3.377 -5.086 231 HA GLN 39 HA GLN 39 9.483 3.712 -4.808 232 HB2 GLN 39 HB2 GLN 39 7.122 5.539 -4.665 233 HB3 GLN 39 HB1 GLN 39 8.715 6.170 -4.274 234 HG2 GLN 39 HG2 GLN 39 9.527 5.476 -6.475 235 HG3 GLN 39 HG1 GLN 39 7.925 4.849 -6.861 236 HE21 GLN 39 HE21 GLN 39 9.846 7.703 -6.359 237 HE22 GLN 39 HE22 GLN 39 8.728 8.824 -7.049 238 H CYS 40 HN CYS 40 10.630 3.150 -3.074 239 HA CYS 40 HA CYS 40 9.617 3.721 -0.385 240 HB2 CYS 40 HB2 CYS 40 12.058 2.116 -1.171 241 HB3 CYS 40 HB1 CYS 40 11.313 2.192 0.422 Start of MODEL 20 1 H1 PHE 1 HT1 PHE 1 -5.294 -1.647 0.827 2 H2 PHE 1 HT2 PHE 1 -6.897 -2.146 0.624 3 H3 PHE 1 HT3 PHE 1 -5.834 -3.076 1.555 4 HA PHE 1 HA PHE 1 -7.365 -1.804 2.922 5 HB2 PHE 1 HB2 PHE 1 -4.447 -1.050 3.073 6 HB3 PHE 1 HB1 PHE 1 -5.607 -0.683 4.343 7 HD1 PHE 1 HD1 PHE 1 -3.742 -3.343 2.645 8 HD2 PHE 1 HD2 PHE 1 -6.432 -2.390 5.801 9 HE1 PHE 1 HE1 PHE 1 -3.321 -5.545 3.664 10 HE2 PHE 1 HE2 PHE 1 -6.019 -4.591 6.824 11 HZ PHE 1 HZ PHE 1 -4.461 -6.170 5.755 12 H GLN 2 HN GLN 2 -5.162 0.233 1.079 13 HA GLN 2 HA GLN 2 -7.181 2.340 0.965 14 HB2 GLN 2 HB2 GLN 2 -4.429 2.691 2.137 15 HB3 GLN 2 HB1 GLN 2 -5.322 4.047 1.463 16 HG2 GLN 2 HG2 GLN 2 -7.129 3.652 3.057 17 HG3 GLN 2 HG1 GLN 2 -6.235 2.290 3.731 18 HE21 GLN 2 HE21 GLN 2 -4.399 2.677 4.969 19 HE22 GLN 2 HE22 GLN 2 -4.052 4.231 5.636 20 H CYS 3 HN CYS 3 -4.717 0.565 -0.568 21 HA CYS 3 HA CYS 3 -4.925 2.302 -2.915 22 HB2 CYS 3 HB2 CYS 3 -2.418 2.008 -3.315 23 HB3 CYS 3 HB1 CYS 3 -2.866 3.103 -2.011 24 H GLY 4 HN GLY 4 -5.269 1.263 -4.705 25 HA2 GLY 4 HA2 GLY 4 -5.559 -0.389 -6.251 26 HA3 GLY 4 HA1 GLY 4 -3.974 -0.930 -5.749 27 H ARG 5 HN ARG 5 -3.760 -2.797 -4.697 28 HA ARG 5 HA ARG 5 -5.901 -4.658 -4.768 29 HB2 ARG 5 HB2 ARG 5 -3.051 -4.703 -4.487 30 HB3 ARG 5 HB1 ARG 5 -3.762 -5.721 -3.240 31 HG2 ARG 5 HG2 ARG 5 -5.012 -6.942 -4.944 32 HG3 ARG 5 HG1 ARG 5 -4.301 -5.918 -6.193 33 HD2 ARG 5 HD2 ARG 5 -2.070 -6.718 -5.573 34 HD3 ARG 5 HD1 ARG 5 -2.785 -7.745 -4.331 35 HE ARG 5 HE ARG 5 -4.008 -8.417 -6.724 36 HH11 ARG 5 HH11 ARG 5 -0.756 -8.545 -5.404 37 HH12 ARG 5 HH12 ARG 5 -0.296 -9.911 -6.365 38 HH21 ARG 5 HH21 ARG 5 -1.784 -10.848 -7.817 39 HH22 ARG 5 HH22 ARG 5 -3.384 -10.204 -7.972 40 H GLN 6 HN GLN 6 -6.189 -6.232 -2.817 41 HA GLN 6 HA GLN 6 -6.925 -6.703 -0.724 42 HB2 GLN 6 HB2 GLN 6 -5.312 -4.333 -0.158 43 HB3 GLN 6 HB1 GLN 6 -6.698 -4.486 0.911 44 HG2 GLN 6 HG2 GLN 6 -4.711 -6.703 0.432 45 HG3 GLN 6 HG1 GLN 6 -4.584 -5.539 1.750 46 HE21 GLN 6 HE21 GLN 6 -6.129 -5.596 3.420 47 HE22 GLN 6 HE22 GLN 6 -7.087 -7.003 3.717 48 H ALA 7 HN ALA 7 -7.638 -3.619 -2.149 49 HA ALA 7 HA ALA 7 -10.378 -3.648 -1.089 50 HB1 ALA 7 HB1 ALA 7 -8.772 -1.344 -2.185 51 HB2 ALA 7 HB2 ALA 7 -9.070 -1.671 -0.477 52 HB3 ALA 7 HB3 ALA 7 -10.411 -1.248 -1.541 53 H GLY 8 HN GLY 8 -8.382 -3.466 -3.934 54 HA2 GLY 8 HA2 GLY 8 -9.256 -4.539 -5.967 55 HA3 GLY 8 HA1 GLY 8 -10.781 -3.731 -5.639 56 H GLY 9 HN GLY 9 -9.605 -1.199 -4.915 57 HA2 GLY 9 HA2 GLY 9 -7.902 -0.133 -6.868 58 HA3 GLY 9 HA1 GLY 9 -9.552 0.057 -7.439 59 H ALA 10 HN ALA 10 -7.179 1.059 -5.093 60 HA ALA 10 HA ALA 10 -8.853 3.379 -4.418 61 HB1 ALA 10 HB1 ALA 10 -8.228 3.221 -2.062 62 HB2 ALA 10 HB2 ALA 10 -7.320 1.744 -2.391 63 HB3 ALA 10 HB3 ALA 10 -9.073 1.764 -2.587 64 H ARG 11 HN ARG 11 -7.298 4.915 -2.925 65 HA ARG 11 HA ARG 11 -4.618 5.026 -4.108 66 HB2 ARG 11 HB2 ARG 11 -6.775 7.055 -4.422 67 HB3 ARG 11 HB1 ARG 11 -5.136 7.642 -4.181 68 HG2 ARG 11 HG2 ARG 11 -5.579 5.550 -6.242 69 HG3 ARG 11 HG1 ARG 11 -6.108 7.195 -6.592 70 HD2 ARG 11 HD2 ARG 11 -3.329 6.536 -5.639 71 HD3 ARG 11 HD1 ARG 11 -3.769 6.580 -7.345 72 HE ARG 11 HE ARG 11 -4.571 8.990 -6.173 73 HH11 ARG 11 HH11 ARG 11 -1.574 7.333 -6.952 74 HH12 ARG 11 HH12 ARG 11 -0.676 8.803 -7.135 75 HH21 ARG 11 HH21 ARG 11 -3.376 10.900 -6.418 76 HH22 ARG 11 HH22 ARG 11 -1.696 10.820 -6.833 77 H CYS 12 HN CYS 12 -3.083 6.184 -2.943 78 HA CYS 12 HA CYS 12 -3.487 6.194 -0.098 79 HB2 CYS 12 HB2 CYS 12 -1.111 6.834 -1.842 80 HB3 CYS 12 HB1 CYS 12 -1.056 6.819 -0.081 81 H SER 13 HN SER 13 -2.240 8.063 1.137 82 HA SER 13 HA SER 13 -3.835 10.352 1.096 83 HB2 SER 13 HB2 SER 13 -2.425 9.490 3.044 84 HB3 SER 13 HB1 SER 13 -1.033 10.230 2.254 85 HG SER 13 HG SER 13 -2.070 12.239 2.427 86 H ASN 14 HN ASN 14 -0.519 9.957 0.013 87 HA ASN 14 HA ASN 14 -0.858 12.033 -2.022 88 HB2 ASN 14 HB2 ASN 14 1.347 11.967 0.057 89 HB3 ASN 14 HB1 ASN 14 1.462 12.899 -1.431 90 HD21 ASN 14 HD21 ASN 14 0.152 14.707 -1.707 91 HD22 ASN 14 HD22 ASN 14 -0.653 15.467 -0.380 92 H GLY 15 HN GLY 15 1.684 11.999 -3.112 93 HA2 GLY 15 HA2 GLY 15 1.738 9.412 -4.380 94 HA3 GLY 15 HA1 GLY 15 2.810 10.766 -4.721 95 H LEU 16 HN LEU 16 2.093 8.583 -2.020 96 HA LEU 16 HA LEU 16 4.892 8.580 -1.229 97 HB2 LEU 16 HB2 LEU 16 3.926 7.237 0.764 98 HB3 LEU 16 HB1 LEU 16 3.582 8.949 0.654 99 HG LEU 16 HG LEU 16 1.432 7.716 -0.644 100 HD11 LEU 16 HD11 LEU 16 0.615 6.268 1.297 101 HD12 LEU 16 HD12 LEU 16 2.314 6.133 1.733 102 HD13 LEU 16 HD13 LEU 16 1.759 5.565 0.158 103 HD21 LEU 16 HD21 LEU 16 1.620 8.739 2.173 104 HD22 LEU 16 HD22 LEU 16 0.147 8.552 1.224 105 HD23 LEU 16 HD23 LEU 16 1.368 9.725 0.733 106 H CYS 17 HN CYS 17 3.401 5.770 -0.151 107 HA CYS 17 HA CYS 17 4.478 4.090 -2.303 108 HB2 CYS 17 HB2 CYS 17 5.054 3.156 0.446 109 HB3 CYS 17 HB1 CYS 17 6.065 3.085 -0.991 110 H CYS 18 HN CYS 18 3.753 1.817 -2.129 111 HA CYS 18 HA CYS 18 1.391 1.399 -0.449 112 HB2 CYS 18 HB2 CYS 18 0.531 2.239 -2.584 113 HB3 CYS 18 HB1 CYS 18 1.417 0.991 -3.452 114 H SER 19 HN SER 19 1.434 -0.486 0.515 115 HA SER 19 HA SER 19 3.541 -2.341 0.204 116 HB2 SER 19 HB2 SER 19 0.946 -2.540 1.731 117 HB3 SER 19 HB1 SER 19 2.280 -3.679 1.882 118 HG SER 19 HG SER 19 2.026 -1.643 3.336 119 H GLN 20 HN GLN 20 3.348 -4.636 -0.112 120 HA GLN 20 HA GLN 20 2.571 -5.439 -2.590 121 HB2 GLN 20 HB2 GLN 20 3.015 -7.029 -0.096 122 HB3 GLN 20 HB1 GLN 20 2.680 -7.802 -1.639 123 HG2 GLN 20 HG2 GLN 20 4.659 -6.748 -2.603 124 HG3 GLN 20 HG1 GLN 20 4.993 -5.964 -1.061 125 HE21 GLN 20 HE21 GLN 20 5.741 -7.195 0.666 126 HE22 GLN 20 HE22 GLN 20 6.391 -8.780 0.451 127 H PHE 21 HN PHE 21 0.594 -5.569 0.265 128 HA PHE 21 HA PHE 21 -1.510 -7.038 -1.097 129 HB2 PHE 21 HB2 PHE 21 -1.018 -6.121 1.697 130 HB3 PHE 21 HB1 PHE 21 -2.662 -6.498 1.205 131 HD1 PHE 21 HD1 PHE 21 0.658 -7.823 1.838 132 HD2 PHE 21 HD2 PHE 21 -3.317 -8.735 0.637 133 HE1 PHE 21 HE1 PHE 21 1.106 -10.222 2.214 134 HE2 PHE 21 HE2 PHE 21 -2.886 -11.139 1.009 135 HZ PHE 21 HZ PHE 21 -0.670 -11.881 1.798 136 H GLY 22 HN GLY 22 -0.631 -3.807 -0.478 137 HA2 GLY 22 HA2 GLY 22 -1.727 -2.082 -1.792 138 HA3 GLY 22 HA1 GLY 22 -3.256 -2.884 -1.450 139 H TYR 23 HN TYR 23 -0.487 -1.777 0.500 140 HA TYR 23 HA TYR 23 -2.417 -0.367 2.227 141 HB2 TYR 23 HB2 TYR 23 -0.891 -2.421 3.074 142 HB3 TYR 23 HB1 TYR 23 0.230 -1.094 3.359 143 HD1 TYR 23 HD1 TYR 23 -1.417 1.080 4.333 144 HD2 TYR 23 HD2 TYR 23 -1.774 -3.095 5.087 145 HE1 TYR 23 HE1 TYR 23 -2.586 1.566 6.443 146 HE2 TYR 23 HE2 TYR 23 -2.945 -2.618 7.197 147 HH TYR 23 HH TYR 23 -3.140 -0.787 8.823 148 H CYS 24 HN CYS 24 -2.060 1.687 2.743 149 HA CYS 24 HA CYS 24 0.003 3.080 1.246 150 HB2 CYS 24 HB2 CYS 24 -2.437 4.015 2.742 151 HB3 CYS 24 HB1 CYS 24 -1.293 5.110 1.966 152 H GLY 25 HN GLY 25 1.697 4.070 2.051 153 HA2 GLY 25 HA2 GLY 25 1.868 4.981 4.750 154 HA3 GLY 25 HA1 GLY 25 2.790 3.518 4.495 155 H SER 26 HN SER 26 3.569 6.197 5.186 156 HA SER 26 HA SER 26 5.775 6.553 3.298 157 HB2 SER 26 HB2 SER 26 3.769 8.157 2.779 158 HB3 SER 26 HB1 SER 26 4.272 8.990 4.244 159 HG SER 26 HG SER 26 5.209 9.656 2.104 160 H THR 27 HN THR 27 4.769 5.888 6.183 161 HA THR 27 HA THR 27 7.029 6.935 7.621 162 HB THR 27 HB THR 27 5.815 8.802 8.199 163 HG1 THR 27 HG1 THR 27 4.429 7.849 10.224 164 HG21 THR 27 HG21 THR 27 3.198 7.315 8.442 165 HG22 THR 27 HG22 THR 27 3.755 8.010 6.921 166 HG23 THR 27 HG23 THR 27 3.461 9.055 8.310 167 HA PRO 28 HA PRO 28 4.949 3.388 10.098 168 HB2 PRO 28 HB2 PRO 28 2.691 2.245 8.776 169 HB3 PRO 28 HB1 PRO 28 2.659 3.382 10.134 170 HG2 PRO 28 HG2 PRO 28 1.673 3.958 7.641 171 HG3 PRO 28 HG1 PRO 28 2.237 5.175 8.801 172 HD2 PRO 28 HD2 PRO 28 3.794 3.906 6.535 173 HD3 PRO 28 HD1 PRO 28 3.611 5.635 6.930 174 HA PRO 29 HA PRO 29 6.608 -0.421 8.284 175 HB2 PRO 29 HB2 PRO 29 4.299 -2.065 9.186 176 HB3 PRO 29 HB1 PRO 29 6.021 -2.232 9.573 177 HG2 PRO 29 HG2 PRO 29 4.351 -1.339 11.391 178 HG3 PRO 29 HG1 PRO 29 5.954 -0.596 11.201 179 HD2 PRO 29 HD2 PRO 29 3.304 0.380 10.206 180 HD3 PRO 29 HD1 PRO 29 4.597 1.279 11.027 181 H TYR 30 HN TYR 30 5.398 0.969 6.367 182 HA TYR 30 HA TYR 30 4.417 -1.078 4.511 183 HB2 TYR 30 HB2 TYR 30 3.216 1.681 4.451 184 HB3 TYR 30 HB1 TYR 30 2.640 0.229 3.658 185 HD1 TYR 30 HD1 TYR 30 2.001 -1.714 5.392 186 HD2 TYR 30 HD2 TYR 30 2.005 2.443 6.258 187 HE1 TYR 30 HE1 TYR 30 0.453 -2.118 7.263 188 HE2 TYR 30 HE2 TYR 30 0.456 2.057 8.135 189 HH TYR 30 HH TYR 30 -1.198 0.385 8.846 190 H CYS 31 HN CYS 31 5.890 1.979 5.237 191 HA CYS 31 HA CYS 31 7.497 1.794 2.842 192 HB2 CYS 31 HB2 CYS 31 5.629 3.534 2.558 193 HB3 CYS 31 HB1 CYS 31 6.571 4.494 3.698 194 H GLY 32 HN GLY 32 7.457 1.695 5.960 195 HA2 GLY 32 HA2 GLY 32 10.200 2.689 6.165 196 HA3 GLY 32 HA1 GLY 32 9.014 3.142 7.387 197 H ALA 33 HN ALA 33 10.124 0.250 5.683 198 HA ALA 33 HA ALA 33 10.753 -1.826 6.312 199 HB1 ALA 33 HB1 ALA 33 12.132 -0.777 8.069 200 HB2 ALA 33 HB2 ALA 33 11.466 -2.325 8.588 201 HB3 ALA 33 HB3 ALA 33 10.751 -0.821 9.167 202 H GLY 34 HN GLY 34 9.121 -3.018 5.714 203 HA2 GLY 34 HA2 GLY 34 7.453 -4.320 7.531 204 HA3 GLY 34 HA1 GLY 34 6.530 -3.001 6.824 205 H GLN 35 HN GLN 35 6.291 -2.932 4.527 206 HA GLN 35 HA GLN 35 6.955 -5.237 2.930 207 HB2 GLN 35 HB2 GLN 35 4.422 -5.467 2.269 208 HB3 GLN 35 HB1 GLN 35 5.034 -6.306 3.684 209 HG2 GLN 35 HG2 GLN 35 4.108 -4.596 5.134 210 HG3 GLN 35 HG1 GLN 35 3.562 -3.673 3.736 211 HE21 GLN 35 HE21 GLN 35 3.037 -6.479 5.711 212 HE22 GLN 35 HE22 GLN 35 1.468 -6.870 5.102 213 H CYS 36 HN CYS 36 8.075 -3.189 2.199 214 HA CYS 36 HA CYS 36 6.499 -1.289 0.701 215 HB2 CYS 36 HB2 CYS 36 8.800 -0.427 0.039 216 HB3 CYS 36 HB1 CYS 36 8.404 -0.385 1.754 217 H GLN 37 HN GLN 37 5.719 -1.659 -1.269 218 HA GLN 37 HA GLN 37 7.177 -3.421 -3.104 219 HB2 GLN 37 HB2 GLN 37 4.687 -3.746 -2.502 220 HB3 GLN 37 HB1 GLN 37 4.396 -2.350 -3.529 221 HG2 GLN 37 HG2 GLN 37 5.561 -3.576 -5.371 222 HG3 GLN 37 HG1 GLN 37 5.569 -4.997 -4.329 223 HE21 GLN 37 HE21 GLN 37 3.686 -6.118 -3.987 224 HE22 GLN 37 HE22 GLN 37 2.234 -5.820 -4.875 225 H SER 38 HN SER 38 5.525 -0.262 -2.999 226 HA SER 38 HA SER 38 6.522 0.539 -5.576 227 HB2 SER 38 HB2 SER 38 4.942 2.037 -3.481 228 HB3 SER 38 HB1 SER 38 5.366 2.703 -5.058 229 HG SER 38 HG SER 38 3.232 1.621 -4.799 230 H GLN 39 HN GLN 39 6.950 1.795 -2.300 231 HA GLN 39 HA GLN 39 9.693 2.571 -2.950 232 HB2 GLN 39 HB2 GLN 39 7.513 4.434 -2.079 233 HB3 GLN 39 HB1 GLN 39 9.169 4.749 -1.585 234 HG2 GLN 39 HG2 GLN 39 9.838 4.721 -3.966 235 HG3 GLN 39 HG1 GLN 39 8.142 4.528 -4.403 236 HE21 GLN 39 HE21 GLN 39 6.730 6.252 -4.145 237 HE22 GLN 39 HE22 GLN 39 7.284 7.870 -3.899 238 H CYS 40 HN CYS 40 11.103 2.609 -1.220 239 HA CYS 40 HA CYS 40 10.023 1.729 1.373 240 HB2 CYS 40 HB2 CYS 40 11.380 0.058 -0.252 241 HB3 CYS 40 HB1 CYS 40 12.730 0.785 0.614
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