NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
560599 | 2m2f | 18912 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H PHE 1 1HT PHE 1 6.504 5.695 4.613 2 HA PHE 1 HA PHE 1 6.293 4.498 2.770 3 HB2 PHE 1 2HB PHE 1 4.508 2.625 2.717 4 HB3 PHE 1 1HB PHE 1 6.127 2.231 3.283 5 HD1 PHE 1 2HD PHE 1 6.462 2.006 5.781 6 HD2 PHE 1 1HD PHE 1 2.620 2.242 3.975 7 HE1 PHE 1 2HE PHE 1 5.470 1.002 7.790 8 HE2 PHE 1 1HE PHE 1 1.626 1.226 5.987 9 HZ PHE 1 HZ PHE 1 3.044 0.609 7.890 10 H CYS 2 H CYS 2 3.644 5.106 5.032 11 HA CYS 2 HA CYS 2 2.655 6.874 2.962 12 HB2 CYS 2 2HB CYS 2 1.255 5.581 5.286 13 HB3 CYS 2 1HB CYS 2 0.545 6.916 4.388 14 H GLU 3 H GLU 3 3.756 6.557 6.196 15 HA GLU 3 HA GLU 3 2.919 8.906 7.434 16 HB2 GLU 3 2HB GLU 3 5.624 7.880 8.159 17 HB3 GLU 3 1HB GLU 3 4.294 8.336 9.194 18 HG2 GLU 3 2HG GLU 3 4.660 6.017 9.521 19 HG3 GLU 3 1HG GLU 3 3.198 6.144 8.541 20 H ARG 4 H ARG 4 6.228 8.267 6.417 21 HA ARG 4 HA ARG 4 7.110 10.868 6.670 22 HB2 ARG 4 2HB ARG 4 8.581 8.997 6.808 23 HB3 ARG 4 1HB ARG 4 8.169 8.490 5.182 24 HG2 ARG 4 2HG ARG 4 9.208 10.661 4.390 25 HG3 ARG 4 1HG ARG 4 9.845 10.830 6.032 26 HD2 ARG 4 2HD ARG 4 10.310 8.489 4.186 27 HD3 ARG 4 1HD ARG 4 11.473 9.759 4.547 28 HE ARG 4 HE ARG 4 11.514 8.983 6.813 29 HH11 ARG 4 1HH1 ARG 4 9.914 6.709 4.538 30 HH12 ARG 4 2HH1 ARG 4 10.401 5.327 5.353 31 HH21 ARG 4 1HH2 ARG 4 12.150 6.993 7.985 32 HH22 ARG 4 2HH2 ARG 4 11.681 5.477 7.377 33 H GLU 5 H GLU 5 6.551 8.859 3.811 34 HA GLU 5 HA GLU 5 7.250 10.471 1.849 35 HB2 GLU 5 2HB GLU 5 5.253 8.237 1.939 36 HB3 GLU 5 1HB GLU 5 5.975 8.887 0.475 37 HG2 GLU 5 2HG GLU 5 7.294 6.933 0.991 38 HG3 GLU 5 1HG GLU 5 8.177 8.388 1.489 39 H GLN 6 H GLN 6 3.815 10.279 3.171 40 HA GLN 6 HA GLN 6 3.416 12.751 1.812 41 HB2 GLN 6 2HB GLN 6 1.148 11.645 0.944 42 HB3 GLN 6 1HB GLN 6 2.602 11.767 -0.053 43 HG2 GLN 6 2HG GLN 6 3.112 9.459 0.451 44 HG3 GLN 6 1HG GLN 6 1.719 9.361 1.545 45 HE21 GLN 6 1HE2 GLN 6 0.692 7.755 0.301 46 HE22 GLN 6 2HE2 GLN 6 0.038 8.118 -1.262 47 H GLN 7 H GLN 7 3.387 11.456 4.464 48 HA GLN 7 HA GLN 7 2.600 11.796 6.324 49 HB2 GLN 7 2HB GLN 7 1.275 14.168 5.036 50 HB3 GLN 7 1HB GLN 7 1.267 13.928 6.777 51 HG2 GLN 7 2HG GLN 7 3.805 13.897 5.235 52 HG3 GLN 7 1HG GLN 7 3.085 15.439 5.723 53 HE21 GLN 7 1HE2 GLN 7 4.662 12.520 6.799 54 HE22 GLN 7 2HE2 GLN 7 4.978 13.088 8.404 55 H LEU 8 H LEU 8 1.033 9.992 4.774 56 HA LEU 8 HA LEU 8 -1.633 10.350 5.917 57 HB2 LEU 8 2HB LEU 8 -0.663 8.461 3.815 58 HB3 LEU 8 1HB LEU 8 -2.208 8.274 4.600 59 HG LEU 8 HG LEU 8 -2.818 9.186 2.713 60 HD11 LEU 8 1HD1 LEU 8 -2.331 11.638 4.293 61 HD12 LEU 8 2HD1 LEU 8 -3.693 10.506 4.307 62 HD13 LEU 8 3HD1 LEU 8 -3.394 11.494 2.871 63 HD21 LEU 8 3HD2 LEU 8 -0.234 10.712 2.527 64 HD22 LEU 8 1HD2 LEU 8 -1.583 10.825 1.364 65 HD23 LEU 8 2HD2 LEU 8 -0.819 9.268 1.690 66 H GLU 9 H GLU 9 -2.595 8.448 6.566 67 HA GLU 9 HA GLU 9 -1.045 6.737 8.336 68 HB2 GLU 9 2HB GLU 9 -3.386 7.765 8.771 69 HB3 GLU 9 1HB GLU 9 -3.884 6.641 7.505 70 HG2 GLU 9 2HG GLU 9 -3.269 4.760 8.887 71 HG3 GLU 9 1HG GLU 9 -2.797 5.870 10.185 72 H SER 10 H SER 10 -1.153 4.381 7.849 73 HA SER 10 HA SER 10 -1.152 3.809 5.078 74 HB2 SER 10 2HB SER 10 -0.253 1.781 5.905 75 HB3 SER 10 1HB SER 10 0.442 3.289 6.655 76 HG SER 10 HG SER 10 -1.666 2.193 8.025 77 H CYS 11 H CYS 11 -2.430 2.043 4.235 78 HA CYS 11 HA CYS 11 -4.527 0.931 5.875 79 HB2 CYS 11 2HB CYS 11 -6.417 1.935 4.805 80 HB3 CYS 11 1HB CYS 11 -5.263 3.250 4.781 81 H ALA 12 H ALA 12 -6.038 -0.371 3.948 82 HA ALA 12 HA ALA 12 -4.094 -1.659 2.204 83 HB1 ALA 12 1HB ALA 12 -6.118 -3.017 3.970 84 HB2 ALA 12 2HB ALA 12 -4.367 -3.067 4.180 85 HB3 ALA 12 3HB ALA 12 -5.112 -3.834 2.772 86 H CYS 13 H CYS 13 -4.831 -1.579 0.154 87 HA CYS 13 HA CYS 13 -7.472 -0.752 -0.450 88 HB2 CYS 13 2HB CYS 13 -5.271 -1.870 -2.204 89 HB3 CYS 13 1HB CYS 13 -6.744 -1.130 -2.783 90 H ASN 14 H ASN 14 -9.200 -1.884 -0.652 91 HA ASN 14 HA ASN 14 -9.518 -4.566 0.015 92 HB2 ASN 14 2HB ASN 14 -11.297 -2.818 0.053 93 HB3 ASN 14 1HB ASN 14 -11.323 -2.884 -1.706 94 HD21 ASN 14 1HD2 ASN 14 -12.402 -4.613 -2.726 95 HD22 ASN 14 2HD2 ASN 14 -13.353 -5.739 -1.823 96 H GLU 15 H GLU 15 -8.708 -3.178 -3.045 97 HA GLU 15 HA GLU 15 -9.552 -5.235 -4.618 98 HB2 GLU 15 2HB GLU 15 -9.062 -2.882 -5.363 99 HB3 GLU 15 1HB GLU 15 -7.357 -3.231 -5.142 100 HG2 GLU 15 2HG GLU 15 -9.075 -4.717 -7.111 101 HG3 GLU 15 1HG GLU 15 -8.192 -3.245 -7.510 102 H THR 16 H THR 16 -8.287 -7.067 -5.386 103 HA THR 16 HA THR 16 -6.730 -8.414 -3.581 104 HB THR 16 HB THR 16 -7.001 -8.764 -6.554 105 HG1 THR 16 1HG THR 16 -8.295 -9.798 -4.270 106 HG21 THR 16 3HG2 THR 16 -6.132 -11.027 -6.256 107 HG22 THR 16 1HG2 THR 16 -5.953 -10.773 -4.509 108 HG23 THR 16 2HG2 THR 16 -4.962 -9.851 -5.639 109 H ASP 17 H ASP 17 -5.573 -6.725 -6.474 110 HA ASP 17 HA ASP 17 -2.960 -7.643 -5.964 111 HB2 ASP 17 2HB ASP 17 -3.671 -7.240 -8.229 112 HB3 ASP 17 1HB ASP 17 -4.019 -5.558 -7.779 113 H ASN 18 H ASN 18 -4.777 -4.662 -5.491 114 HA ASN 18 HA ASN 18 -2.484 -3.204 -4.726 115 HB2 ASN 18 2HB ASN 18 -5.383 -2.506 -4.888 116 HB3 ASN 18 1HB ASN 18 -4.252 -1.428 -4.076 117 HD21 ASN 18 1HD2 ASN 18 -5.005 -2.991 -7.136 118 HD22 ASN 18 2HD2 ASN 18 -4.125 -1.880 -8.117 119 H SER 19 H SER 19 -4.215 -5.424 -3.171 120 HA SER 19 HA SER 19 -4.042 -4.375 -0.534 121 HB2 SER 19 2HB SER 19 -4.161 -7.248 -1.545 122 HB3 SER 19 1HB SER 19 -4.076 -6.873 0.169 123 HG SER 19 HG SER 19 -5.991 -5.517 -1.292 124 H CYS 20 H CYS 20 -1.725 -5.540 -2.753 125 HA CYS 20 HA CYS 20 0.277 -6.169 -0.767 126 HB2 CYS 20 2HB CYS 20 0.387 -6.121 -3.757 127 HB3 CYS 20 1HB CYS 20 1.595 -6.908 -2.769 128 H LYS 21 H LYS 21 -0.760 -3.409 -2.238 129 HA LYS 21 HA LYS 21 1.886 -2.053 -2.054 130 HB2 LYS 21 2HB LYS 21 -0.639 -1.418 -3.556 131 HB3 LYS 21 1HB LYS 21 0.665 -0.270 -3.310 132 HG2 LYS 21 2HG LYS 21 0.940 -1.057 -5.506 133 HG3 LYS 21 1HG LYS 21 2.130 -1.934 -4.549 134 HD2 LYS 21 2HD LYS 21 0.677 -3.903 -4.533 135 HD3 LYS 21 1HD LYS 21 -0.545 -3.013 -5.450 136 HE2 LYS 21 2HE LYS 21 1.080 -2.710 -7.284 137 HE3 LYS 21 1HE LYS 21 2.254 -3.660 -6.380 138 HZ1 LYS 21 3HZ LYS 21 1.112 -5.023 -8.060 139 HZ2 LYS 21 1HZ LYS 21 -0.362 -4.640 -7.428 140 HZ3 LYS 21 2HZ LYS 21 0.674 -5.589 -6.561 141 H VAL 22 H VAL 22 1.842 -0.073 -1.701 142 HA VAL 22 HA VAL 22 0.992 0.162 0.991 143 HB VAL 22 HB VAL 22 2.701 1.948 -0.747 144 HG11 VAL 22 1HG1 VAL 22 1.494 3.136 0.900 145 HG12 VAL 22 2HG1 VAL 22 3.224 3.108 1.288 146 HG13 VAL 22 3HG1 VAL 22 2.070 2.071 2.185 147 HG21 VAL 22 3HG2 VAL 22 3.333 -0.072 1.406 148 HG22 VAL 22 1HG2 VAL 22 4.499 1.009 0.628 149 HG23 VAL 22 2HG2 VAL 22 3.605 -0.255 -0.302 150 H CYS 23 H CYS 23 -0.883 0.587 1.056 151 HA CYS 23 HA CYS 23 -1.950 2.871 -0.451 152 HB2 CYS 23 2HB CYS 23 -3.614 1.027 1.256 153 HB3 CYS 23 1HB CYS 23 -4.123 2.246 0.076 154 H CYS 24 H CYS 24 -3.003 4.559 0.600 155 HA CYS 24 HA CYS 24 -2.080 4.965 3.307 156 HB2 CYS 24 2HB CYS 24 -2.121 6.809 0.905 157 HB3 CYS 24 1HB CYS 24 -1.729 7.389 2.499 158 H ARG 25 H ARG 25 -3.510 6.717 4.299 159 HA ARG 25 HA ARG 25 -6.224 6.152 3.398 160 HB2 ARG 25 2HB ARG 25 -5.206 5.007 5.529 161 HB3 ARG 25 1HB ARG 25 -5.379 6.604 6.210 162 HG2 ARG 25 2HG ARG 25 -7.724 5.520 4.883 163 HG3 ARG 25 1HG ARG 25 -7.270 4.742 6.410 164 HD2 ARG 25 2HD ARG 25 -7.792 7.701 5.933 165 HD3 ARG 25 1HD ARG 25 -8.903 6.580 6.725 166 HE ARG 25 HE ARG 25 -6.727 6.335 8.255 167 HH11 ARG 25 1HH1 ARG 25 -8.242 9.288 7.035 168 HH12 ARG 25 2HH1 ARG 25 -7.989 10.192 8.460 169 HH21 ARG 25 1HH2 ARG 25 -6.297 7.527 10.157 170 HH22 ARG 25 2HH2 ARG 25 -6.798 9.133 10.344 171 H ASP 26 H ASP 26 -7.371 7.962 3.038 172 HA ASP 26 HA ASP 26 -5.884 10.383 3.371 173 HB2 ASP 26 2HB ASP 26 -7.040 11.221 1.549 174 HB3 ASP 26 1HB ASP 26 -7.011 9.501 1.173 175 H LEU 27 H LEU 27 -7.587 12.119 3.422 176 HA LEU 27 HA LEU 27 -8.140 12.447 6.077 177 HB2 LEU 27 2HB LEU 27 -9.320 14.166 3.932 178 HB3 LEU 27 1HB LEU 27 -8.967 14.634 5.585 179 HG LEU 27 HG LEU 27 -6.501 13.971 4.737 180 HD11 LEU 27 1HD1 LEU 27 -7.851 15.039 2.276 181 HD12 LEU 27 2HD1 LEU 27 -7.219 13.417 2.478 182 HD13 LEU 27 3HD1 LEU 27 -6.118 14.797 2.482 183 HD21 LEU 27 3HD2 LEU 27 -7.851 16.640 4.321 184 HD22 LEU 27 1HD2 LEU 27 -6.109 16.376 4.400 185 HD23 LEU 27 2HD2 LEU 27 -7.111 16.070 5.819 186 H SER 28 H SER 28 -10.266 11.631 3.398 187 HA SER 28 HA SER 28 -12.518 11.929 5.100 188 HB2 SER 28 2HB SER 28 -12.714 12.867 2.874 189 HB3 SER 28 1HB SER 28 -12.305 11.317 2.151 190 HG SER 28 HG SER 28 -14.310 10.748 3.605 191 H GLY 29 H GLY 29 -10.264 9.775 4.772 192 HA2 GLY 29 2HA GLY 29 -10.034 7.864 5.602 193 HA3 GLY 29 1HA GLY 29 -11.746 7.762 6.035 194 H ARG 30 H ARG 30 -10.164 7.950 2.800 195 HA ARG 30 HA ARG 30 -11.258 5.282 2.276 196 HB2 ARG 30 2HB ARG 30 -10.559 7.482 0.305 197 HB3 ARG 30 1HB ARG 30 -10.970 5.848 -0.159 198 HG2 ARG 30 2HG ARG 30 -12.883 7.162 -0.553 199 HG3 ARG 30 1HG ARG 30 -13.226 6.252 0.913 200 HD2 ARG 30 2HD ARG 30 -13.930 8.631 1.020 201 HD3 ARG 30 1HD ARG 30 -12.776 8.179 2.273 202 HE ARG 30 HE ARG 30 -11.094 9.360 1.179 203 HH11 ARG 30 1HH1 ARG 30 -14.187 9.768 -0.487 204 HH12 ARG 30 2HH1 ARG 30 -13.794 11.269 -1.196 205 HH21 ARG 30 1HH2 ARG 30 -10.570 11.394 0.331 206 HH22 ARG 30 2HH2 ARG 30 -11.597 12.251 -0.736 207 H CYS 31 H CYS 31 -9.897 4.131 0.610 208 HA CYS 31 HA CYS 31 -7.132 4.341 1.409 209 HB2 CYS 31 2HB CYS 31 -8.780 2.132 0.302 210 HB3 CYS 31 1HB CYS 31 -7.046 2.133 -0.016 211 H VAL 32 H VAL 32 -5.694 5.162 0.219 212 HA VAL 32 HA VAL 32 -6.192 5.289 -2.529 213 HB VAL 32 HB VAL 32 -6.595 7.542 -1.863 214 HG11 VAL 32 1HG1 VAL 32 -4.208 7.249 -0.076 215 HG12 VAL 32 2HG1 VAL 32 -5.853 7.827 0.335 216 HG13 VAL 32 3HG1 VAL 32 -4.765 8.836 -0.585 217 HG21 VAL 32 3HG2 VAL 32 -5.173 7.396 -3.838 218 HG22 VAL 32 1HG2 VAL 32 -3.735 7.433 -2.819 219 HG23 VAL 32 2HG2 VAL 32 -4.788 8.847 -2.907 220 HA PRO 33 HA PRO 33 -2.350 2.987 -2.310 221 HB2 PRO 33 2HB PRO 33 -1.820 3.056 -5.025 222 HB3 PRO 33 1HB PRO 33 -2.902 1.876 -4.259 223 HG2 PRO 33 2HG PRO 33 -3.584 4.350 -5.736 224 HG3 PRO 33 1HG PRO 33 -4.413 2.781 -5.705 225 HD2 PRO 33 2HD PRO 33 -5.322 4.905 -4.340 226 HD3 PRO 33 1HD PRO 33 -5.520 3.242 -3.744 227 H TYR 34 H TYR 34 -0.320 3.732 -1.893 228 HA TYR 34 HA TYR 34 0.214 6.417 -2.400 229 HB2 TYR 34 2HB TYR 34 1.298 5.980 -0.578 230 HB3 TYR 34 1HB TYR 34 1.625 4.278 -0.940 231 HD1 TYR 34 1HD TYR 34 2.821 7.843 -2.122 232 HD2 TYR 34 2HD TYR 34 3.947 3.711 -1.203 233 HE1 TYR 34 1HE TYR 34 4.933 8.327 -2.537 234 HE2 TYR 34 2HE TYR 34 6.147 4.289 -1.661 235 HH TYR 34 HH TYR 34 7.190 7.619 -2.188 236 H VAL 35 H VAL 35 0.888 7.413 -3.937 237 HA VAL 35 HA VAL 35 3.079 6.539 -5.476 238 HB VAL 35 HB VAL 35 1.252 8.222 -6.874 239 HG11 VAL 35 1HG1 VAL 35 2.523 5.721 -7.808 240 HG12 VAL 35 2HG1 VAL 35 3.179 7.345 -7.729 241 HG13 VAL 35 3HG1 VAL 35 1.813 7.018 -8.813 242 HG21 VAL 35 3HG2 VAL 35 -0.490 6.677 -7.620 243 HG22 VAL 35 1HG2 VAL 35 -0.483 6.847 -5.859 244 HG23 VAL 35 2HG2 VAL 35 0.206 5.398 -6.606 245 H ASP 36 H ASP 36 4.349 8.359 -5.364 246 HA ASP 36 HA ASP 36 2.990 10.840 -4.464 247 HB2 ASP 36 2HB ASP 36 5.184 11.605 -3.935 248 HB3 ASP 36 1HB ASP 36 4.915 9.999 -3.227 249 H ALA 37 H ALA 37 4.557 12.521 -5.381 250 HA ALA 37 HA ALA 37 2.508 12.829 -7.126 251 HB1 ALA 37 1HB ALA 37 3.209 14.263 -5.533 252 HB2 ALA 37 2HB ALA 37 3.115 15.142 -7.107 253 HB3 ALA 37 3HB ALA 37 4.700 14.665 -6.385 254 H GLU 38 H GLU 38 5.850 12.076 -7.353 255 HA GLU 38 HA GLU 38 6.149 12.678 -10.007 256 HB2 GLU 38 2HB GLU 38 7.636 11.234 -8.015 257 HB3 GLU 38 1HB GLU 38 8.406 11.687 -9.570 258 HG2 GLU 38 2HG GLU 38 9.132 13.511 -8.353 259 HG3 GLU 38 1HG GLU 38 7.429 14.014 -8.397 260 H GLN 39 H GLN 39 4.358 10.292 -8.488 261 HA GLN 39 HA GLN 39 3.458 8.559 -9.032 262 HB2 GLN 39 2HB GLN 39 5.006 9.120 -11.350 263 HB3 GLN 39 1HB GLN 39 3.977 7.634 -11.404 264 HG2 GLN 39 2HG GLN 39 2.072 9.170 -10.875 265 HG3 GLN 39 1HG GLN 39 3.199 10.520 -10.936 266 HE21 GLN 39 1HE2 GLN 39 2.116 11.529 -12.587 267 HE22 GLN 39 2HE2 GLN 39 2.091 10.921 -14.216 268 H LYS 40 H LYS 40 5.881 8.526 -7.499 269 HA LYS 40 HA LYS 40 7.390 6.115 -7.912 270 HB2 LYS 40 2HB LYS 40 6.841 7.980 -5.712 271 HB3 LYS 40 1HB LYS 40 6.943 6.246 -5.375 272 HG2 LYS 40 2HG LYS 40 8.849 7.662 -5.016 273 HG3 LYS 40 1HG LYS 40 9.145 6.100 -5.816 274 HD2 LYS 40 2HD LYS 40 10.542 7.820 -6.881 275 HD3 LYS 40 1HD LYS 40 9.241 7.420 -7.994 276 HE2 LYS 40 2HE LYS 40 9.690 9.853 -7.840 277 HE3 LYS 40 1HE LYS 40 8.048 9.394 -7.393 278 HZ1 LYS 40 3HZ LYS 40 10.163 9.924 -5.336 279 HZ2 LYS 40 1HZ LYS 40 8.495 9.737 -5.134 280 HZ3 LYS 40 2HZ LYS 40 9.068 11.083 -5.899 281 H ASN 41 H ASN 41 6.800 4.058 -7.198 282 HA ASN 41 HA ASN 41 4.245 3.839 -5.850 283 HB2 ASN 41 2HB ASN 41 4.497 3.063 -8.298 284 HB3 ASN 41 1HB ASN 41 5.524 1.839 -7.546 285 HD21 ASN 41 1HD2 ASN 41 2.219 3.054 -7.550 286 HD22 ASN 41 2HD2 ASN 41 1.475 1.604 -6.979 287 H LEU 42 H LEU 42 4.346 1.491 -4.834 288 HA LEU 42 HA LEU 42 6.838 0.679 -3.819 289 HB2 LEU 42 2HB LEU 42 6.961 2.699 -2.667 290 HB3 LEU 42 1HB LEU 42 5.243 2.675 -2.309 291 HG LEU 42 HG LEU 42 5.518 1.013 -0.890 292 HD11 LEU 42 1HD1 LEU 42 7.621 -0.122 -1.593 293 HD12 LEU 42 2HD1 LEU 42 7.878 0.381 0.078 294 HD13 LEU 42 3HD1 LEU 42 8.553 1.335 -1.246 295 HD21 LEU 42 3HD2 LEU 42 6.707 2.169 1.025 296 HD22 LEU 42 1HD2 LEU 42 5.413 2.967 0.145 297 HD23 LEU 42 2HD2 LEU 42 7.115 3.418 -0.161 298 H PHE 43 H PHE 43 6.704 -1.248 -2.883 299 HA PHE 43 HA PHE 43 4.197 -2.459 -2.599 300 HB2 PHE 43 2HB PHE 43 5.544 -3.608 -4.120 301 HB3 PHE 43 1HB PHE 43 6.988 -3.335 -3.167 302 HD1 PHE 43 1HD PHE 43 3.701 -5.066 -2.617 303 HD2 PHE 43 2HD PHE 43 7.946 -5.276 -2.440 304 HE1 PHE 43 1HE PHE 43 3.554 -7.367 -1.753 305 HE2 PHE 43 2HE PHE 43 7.803 -7.570 -1.572 306 HZ PHE 43 HZ PHE 43 5.604 -8.615 -1.227 307 H LEU 44 H LEU 44 3.609 -3.443 -0.541 308 HA LEU 44 HA LEU 44 4.827 -2.510 1.706 309 HB2 LEU 44 2HB LEU 44 2.341 -3.390 1.057 310 HB3 LEU 44 1HB LEU 44 2.960 -4.801 1.875 311 HG LEU 44 HG LEU 44 1.552 -3.446 3.358 312 HD11 LEU 44 1HD1 LEU 44 4.389 -3.283 4.298 313 HD12 LEU 44 2HD1 LEU 44 3.347 -4.704 4.404 314 HD13 LEU 44 3HD1 LEU 44 2.933 -3.236 5.291 315 HD21 LEU 44 3HD2 LEU 44 3.573 -1.262 3.006 316 HD22 LEU 44 1HD2 LEU 44 2.203 -1.246 4.113 317 HD23 LEU 44 2HD2 LEU 44 1.919 -1.272 2.372 318 H ARG 45 H ARG 45 5.114 -4.584 3.456 319 HA ARG 45 HA ARG 45 7.251 -6.149 2.550 320 HB2 ARG 45 2HB ARG 45 5.560 -6.015 4.918 321 HB3 ARG 45 1HB ARG 45 6.814 -7.300 4.804 322 HG2 ARG 45 2HG ARG 45 8.472 -5.421 4.581 323 HG3 ARG 45 1HG ARG 45 7.149 -4.282 4.847 324 HD2 ARG 45 2HD ARG 45 6.736 -5.260 7.045 325 HD3 ARG 45 1HD ARG 45 8.029 -6.426 6.779 326 HE ARG 45 HE ARG 45 9.064 -3.872 6.436 327 HH11 ARG 45 1HH1 ARG 45 7.781 -5.873 9.065 328 HH12 ARG 45 2HH1 ARG 45 8.696 -5.156 10.300 329 HH21 ARG 45 1HH2 ARG 45 10.372 -2.843 8.152 330 HH22 ARG 45 2HH2 ARG 45 10.224 -3.367 9.756 331 H LYS 46 H LYS 46 7.199 -8.583 2.757 332 HA LYS 46 HA LYS 46 4.785 -9.432 1.412 333 HB2 LYS 46 2HB LYS 46 5.979 -11.305 0.470 334 HB3 LYS 46 1HB LYS 46 6.904 -9.853 0.197 335 HG2 LYS 46 2HG LYS 46 8.498 -11.493 0.665 336 HG3 LYS 46 1HG LYS 46 8.311 -10.669 2.207 337 HD2 LYS 46 2HD LYS 46 7.363 -12.476 3.210 338 HD3 LYS 46 1HD LYS 46 6.512 -12.974 1.752 339 HE2 LYS 46 2HE LYS 46 9.481 -13.316 2.191 340 HE3 LYS 46 1HE LYS 46 8.282 -14.572 2.492 341 HZ1 LYS 46 3HZ LYS 46 7.627 -14.404 0.126 342 HZ2 LYS 46 1HZ LYS 46 9.223 -14.897 0.279 343 HZ3 LYS 46 2HZ LYS 46 8.840 -13.325 -0.181 344 H GLY 47 H GLY 47 3.723 -11.358 1.865 345 HA2 GLY 47 2HA GLY 47 2.829 -12.945 3.276 346 HA3 GLY 47 1HA GLY 47 4.048 -12.544 4.514 347 H LYS 48 H LYS 48 2.445 -9.954 3.009 348 HA LYS 48 HA LYS 48 1.194 -9.082 5.377 349 HB2 LYS 48 2HB LYS 48 2.110 -7.613 3.649 350 HB3 LYS 48 1HB LYS 48 0.957 -8.248 2.499 351 HG2 LYS 48 2HG LYS 48 -0.886 -7.352 3.972 352 HG3 LYS 48 1HG LYS 48 0.361 -6.550 4.926 353 HD2 LYS 48 2HD LYS 48 1.103 -5.355 2.909 354 HD3 LYS 48 1HD LYS 48 -0.181 -6.129 1.989 355 HE2 LYS 48 2HE LYS 48 -1.851 -5.093 3.514 356 HE3 LYS 48 1HE LYS 48 -0.537 -4.238 4.320 357 HZ1 LYS 48 3HZ LYS 48 -0.031 -3.150 2.147 358 HZ2 LYS 48 1HZ LYS 48 -1.624 -2.827 2.651 359 HZ3 LYS 48 2HZ LYS 48 -1.310 -3.994 1.476 360 HA PRO 49 HA PRO 49 -2.668 -11.420 4.816 361 HB2 PRO 49 2HB PRO 49 -4.242 -9.486 6.122 362 HB3 PRO 49 1HB PRO 49 -3.461 -10.867 6.917 363 HG2 PRO 49 2HG PRO 49 -2.588 -8.047 6.791 364 HG3 PRO 49 1HG PRO 49 -2.378 -9.245 8.084 365 HD2 PRO 49 2HD PRO 49 -0.357 -8.540 6.501 366 HD3 PRO 49 1HD PRO 49 -0.533 -10.205 7.093 367 H CYS 50 H CYS 50 -3.897 -11.363 3.041 368 HA CYS 50 HA CYS 50 -4.530 -8.836 1.892 369 HB2 CYS 50 2HB CYS 50 -2.567 -9.303 0.788 370 HB3 CYS 50 1HB CYS 50 -2.876 -11.044 0.706 371 H THR 51 H THR 51 -5.875 -9.347 -0.069 372 HA THR 51 HA THR 51 -8.397 -10.114 0.583 373 HB THR 51 HB THR 51 -8.761 -10.189 -1.922 374 HG1 THR 51 1HG THR 51 -6.024 -9.493 -2.164 375 HG21 THR 51 3HG2 THR 51 -8.581 -8.059 -0.502 376 HG22 THR 51 1HG2 THR 51 -8.229 -7.889 -2.240 377 HG23 THR 51 2HG2 THR 51 -6.905 -8.011 -1.110 378 H VAL 52 H VAL 52 -6.373 -11.902 -1.592 379 HA VAL 52 HA VAL 52 -8.025 -14.276 -1.209 380 HB VAL 52 HB VAL 52 -7.109 -15.084 -3.318 381 HG11 VAL 52 1HG1 VAL 52 -8.117 -12.237 -3.360 382 HG12 VAL 52 2HG1 VAL 52 -9.085 -13.712 -3.436 383 HG13 VAL 52 3HG1 VAL 52 -8.032 -13.274 -4.785 384 HG21 VAL 52 3HG2 VAL 52 -4.843 -13.946 -3.033 385 HG22 VAL 52 1HG2 VAL 52 -5.608 -12.461 -3.576 386 HG23 VAL 52 2HG2 VAL 52 -5.525 -13.846 -4.659 387 H GLY 53 H GLY 53 -5.544 -13.287 0.441 388 HA2 GLY 53 2HA GLY 53 -4.735 -15.424 1.619 389 HA3 GLY 53 1HA GLY 53 -3.800 -15.563 0.122 390 H PHE 54 H PHE 54 -1.872 -14.652 0.141 391 HA PHE 54 HA PHE 54 -1.417 -12.369 1.927 392 HB2 PHE 54 2HB PHE 54 0.369 -14.767 1.529 393 HB3 PHE 54 1HB PHE 54 0.909 -13.309 2.359 394 HD1 PHE 54 2HD PHE 54 -0.290 -12.654 4.485 395 HD2 PHE 54 1HD PHE 54 -0.799 -16.453 2.642 396 HE1 PHE 54 2HE PHE 54 -1.171 -13.554 6.596 397 HE2 PHE 54 1HE PHE 54 -1.683 -17.362 4.748 398 HZ PHE 54 HZ PHE 54 -1.870 -15.912 6.730 399 H CYS 55 H CYS 55 0.353 -11.089 1.251 400 HA CYS 55 HA CYS 55 0.646 -11.045 -1.668 401 HB2 CYS 55 2HB CYS 55 1.323 -9.079 0.488 402 HB3 CYS 55 1HB CYS 55 1.749 -8.842 -1.205 403 H ASP 56 H ASP 56 2.467 -11.959 -2.564 404 HA ASP 56 HA ASP 56 4.682 -11.965 -0.668 405 HB2 ASP 56 2HB ASP 56 3.965 -14.252 -1.715 406 HB3 ASP 56 1HB ASP 56 4.828 -13.694 -3.151 407 H MET 57 H MET 57 6.828 -12.286 -2.548 408 HA MET 57 HA MET 57 7.379 -9.522 -2.901 409 HB2 MET 57 2HB MET 57 8.915 -11.968 -3.765 410 HB3 MET 57 1HB MET 57 9.532 -10.321 -3.850 411 HG2 MET 57 2HG MET 57 9.399 -10.081 -1.471 412 HG3 MET 57 1HG MET 57 8.568 -11.627 -1.337 413 HE1 MET 57 3HE MET 57 11.680 -10.846 -3.648 414 HE2 MET 57 1HE MET 57 13.014 -11.227 -2.559 415 HE3 MET 57 2HE MET 57 11.972 -9.844 -2.225 416 H ASN 58 H ASN 58 5.581 -11.393 -4.769 417 HA ASN 58 HA ASN 58 6.235 -10.446 -7.411 418 HB2 ASN 58 2HB ASN 58 4.890 -12.541 -6.817 419 HB3 ASN 58 1HB ASN 58 3.594 -11.481 -6.317 420 HD21 ASN 58 1HD2 ASN 58 4.123 -9.664 -8.734 421 HD22 ASN 58 2HD2 ASN 58 3.468 -10.550 -10.059 422 H GLY 59 H GLY 59 4.632 -9.265 -4.568 423 HA2 GLY 59 2HA GLY 59 3.419 -7.306 -4.088 424 HA3 GLY 59 1HA GLY 59 3.864 -6.723 -5.718 425 H LYS 60 H LYS 60 2.450 -9.719 -4.950 426 HA LYS 60 HA LYS 60 -0.245 -9.014 -5.926 427 HB2 LYS 60 2HB LYS 60 1.505 -10.123 -7.681 428 HB3 LYS 60 1HB LYS 60 1.147 -11.473 -6.589 429 HG2 LYS 60 2HG LYS 60 -1.219 -11.334 -7.101 430 HG3 LYS 60 1HG LYS 60 -0.933 -9.962 -8.164 431 HD2 LYS 60 2HD LYS 60 -1.129 -11.761 -9.644 432 HD3 LYS 60 1HD LYS 60 0.608 -11.564 -9.478 433 HE2 LYS 60 2HE LYS 60 -1.038 -13.588 -7.938 434 HE3 LYS 60 1HE LYS 60 -0.201 -13.942 -9.436 435 HZ1 LYS 60 3HZ LYS 60 1.056 -13.264 -6.803 436 HZ2 LYS 60 1HZ LYS 60 1.944 -13.496 -8.241 437 HZ3 LYS 60 2HZ LYS 60 0.959 -14.679 -7.477 438 H CYS 61 H CYS 61 -1.586 -10.566 -5.359 439 HA CYS 61 HA CYS 61 -0.961 -11.636 -2.774 440 HB2 CYS 61 2HB CYS 61 -2.948 -10.282 -3.771 441 HB3 CYS 61 1HB CYS 61 -3.479 -11.889 -4.272 442 H GLU 62 H GLU 62 -0.763 -13.820 -2.554 443 HA GLU 62 HA GLU 62 0.351 -15.622 -3.127 444 HB2 GLU 62 2HB GLU 62 -2.085 -15.543 -4.682 445 HB3 GLU 62 1HB GLU 62 -1.205 -17.113 -4.556 446 HG2 GLU 62 2HG GLU 62 -2.823 -15.488 -2.560 447 HG3 GLU 62 1HG GLU 62 -3.075 -17.160 -3.033 Start of MODEL 2 1 H PHE 1 1HT PHE 1 5.761 4.628 5.440 2 HA PHE 1 HA PHE 1 4.872 2.557 4.237 3 HB2 PHE 1 2HB PHE 1 3.341 2.474 6.711 4 HB3 PHE 1 1HB PHE 1 2.384 3.170 5.410 5 HD1 PHE 1 1HD PHE 1 4.281 0.060 6.069 6 HD2 PHE 1 2HD PHE 1 1.077 2.090 4.264 7 HE1 PHE 1 1HE PHE 1 3.290 -2.117 5.468 8 HE2 PHE 1 2HE PHE 1 0.023 -0.090 3.626 9 HZ PHE 1 HZ PHE 1 1.150 -2.188 4.247 10 H CYS 2 H CYS 2 2.510 4.860 5.544 11 HA CYS 2 HA CYS 2 3.108 6.387 3.170 12 HB2 CYS 2 2HB CYS 2 0.866 5.305 3.130 13 HB3 CYS 2 1HB CYS 2 0.417 6.304 4.511 14 H GLU 3 H GLU 3 2.846 6.314 6.511 15 HA GLU 3 HA GLU 3 2.218 8.759 7.533 16 HB2 GLU 3 2HB GLU 3 4.580 7.187 8.559 17 HB3 GLU 3 1HB GLU 3 3.495 8.212 9.469 18 HG2 GLU 3 2HG GLU 3 3.048 5.964 10.051 19 HG3 GLU 3 1HG GLU 3 1.696 6.518 9.051 20 H ARG 4 H ARG 4 5.480 7.712 6.692 21 HA ARG 4 HA ARG 4 6.475 10.316 7.091 22 HB2 ARG 4 2HB ARG 4 7.833 8.421 7.716 23 HB3 ARG 4 1HB ARG 4 7.776 7.799 6.076 24 HG2 ARG 4 2HG ARG 4 9.008 9.868 5.355 25 HG3 ARG 4 1HG ARG 4 9.228 10.242 7.065 26 HD2 ARG 4 2HD ARG 4 11.180 9.078 6.147 27 HD3 ARG 4 1HD ARG 4 10.384 8.108 7.389 28 HE ARG 4 HE ARG 4 9.215 7.216 5.123 29 HH11 ARG 4 1HH1 ARG 4 12.631 7.516 5.970 30 HH12 ARG 4 2HH1 ARG 4 13.124 6.237 4.950 31 HH21 ARG 4 1HH2 ARG 4 9.782 5.625 3.844 32 HH22 ARG 4 2HH2 ARG 4 11.392 5.056 3.619 33 H GLU 5 H GLU 5 5.928 8.040 4.434 34 HA GLU 5 HA GLU 5 7.067 9.100 2.313 35 HB2 GLU 5 2HB GLU 5 4.527 7.584 2.726 36 HB3 GLU 5 1HB GLU 5 5.356 7.716 1.189 37 HG2 GLU 5 2HG GLU 5 5.679 5.557 2.592 38 HG3 GLU 5 1HG GLU 5 7.174 6.315 1.930 39 H GLN 6 H GLN 6 3.569 9.658 3.244 40 HA GLN 6 HA GLN 6 3.491 11.961 1.372 41 HB2 GLN 6 2HB GLN 6 1.385 9.969 2.137 42 HB3 GLN 6 1HB GLN 6 1.098 11.419 1.192 43 HG2 GLN 6 2HG GLN 6 2.987 9.274 0.455 44 HG3 GLN 6 1HG GLN 6 1.261 9.336 -0.039 45 HE21 GLN 6 1HE2 GLN 6 0.586 10.931 -1.459 46 HE22 GLN 6 2HE2 GLN 6 1.704 11.828 -2.429 47 H GLN 7 H GLN 7 3.440 10.946 4.485 48 HA GLN 7 HA GLN 7 2.768 11.500 6.326 49 HB2 GLN 7 2HB GLN 7 2.136 14.206 5.127 50 HB3 GLN 7 1HB GLN 7 2.180 13.899 6.863 51 HG2 GLN 7 2HG GLN 7 4.486 13.263 6.749 52 HG3 GLN 7 1HG GLN 7 4.461 13.390 4.996 53 HE21 GLN 7 1HE2 GLN 7 6.106 14.897 4.982 54 HE22 GLN 7 2HE2 GLN 7 5.889 16.536 5.519 55 H LEU 8 H LEU 8 0.988 10.400 4.448 56 HA LEU 8 HA LEU 8 -1.744 10.990 5.427 57 HB2 LEU 8 2HB LEU 8 -0.716 9.187 3.261 58 HB3 LEU 8 1HB LEU 8 -2.390 9.319 3.762 59 HG LEU 8 HG LEU 8 -0.846 11.628 2.892 60 HD11 LEU 8 1HD1 LEU 8 -0.713 10.020 0.995 61 HD12 LEU 8 2HD1 LEU 8 -1.937 11.217 0.557 62 HD13 LEU 8 3HD1 LEU 8 -2.420 9.637 1.185 63 HD21 LEU 8 3HD2 LEU 8 -3.093 12.506 2.250 64 HD22 LEU 8 1HD2 LEU 8 -2.913 12.148 3.967 65 HD23 LEU 8 2HD2 LEU 8 -3.795 11.035 2.922 66 H GLU 9 H GLU 9 -2.841 9.531 6.165 67 HA GLU 9 HA GLU 9 -1.452 7.716 7.975 68 HB2 GLU 9 2HB GLU 9 -3.900 8.920 8.205 69 HB3 GLU 9 1HB GLU 9 -4.304 7.318 7.562 70 HG2 GLU 9 2HG GLU 9 -3.118 6.263 9.420 71 HG3 GLU 9 1HG GLU 9 -2.827 7.855 10.121 72 H SER 10 H SER 10 -1.375 5.459 7.715 73 HA SER 10 HA SER 10 -1.586 4.603 5.083 74 HB2 SER 10 2HB SER 10 -0.458 2.661 6.061 75 HB3 SER 10 1HB SER 10 0.142 4.289 6.537 76 HG SER 10 HG SER 10 0.101 3.480 8.397 77 H CYS 11 H CYS 11 -2.671 2.680 4.481 78 HA CYS 11 HA CYS 11 -4.671 1.537 6.161 79 HB2 CYS 11 2HB CYS 11 -5.847 3.655 5.146 80 HB3 CYS 11 1HB CYS 11 -5.630 2.858 3.601 81 H ALA 12 H ALA 12 -6.009 0.023 4.430 82 HA ALA 12 HA ALA 12 -4.052 -1.137 2.601 83 HB1 ALA 12 1HB ALA 12 -5.892 -2.600 4.506 84 HB2 ALA 12 2HB ALA 12 -4.132 -2.541 4.608 85 HB3 ALA 12 3HB ALA 12 -4.912 -3.369 3.257 86 H CYS 13 H CYS 13 -4.987 -1.650 0.608 87 HA CYS 13 HA CYS 13 -7.600 -0.626 0.204 88 HB2 CYS 13 2HB CYS 13 -5.563 -1.908 -1.605 89 HB3 CYS 13 1HB CYS 13 -7.022 -1.094 -2.144 90 H ASN 14 H ASN 14 -9.397 -1.694 0.012 91 HA ASN 14 HA ASN 14 -9.714 -4.309 0.965 92 HB2 ASN 14 2HB ASN 14 -11.450 -2.525 1.037 93 HB3 ASN 14 1HB ASN 14 -11.615 -2.685 -0.710 94 HD21 ASN 14 1HD2 ASN 14 -12.826 -4.423 -1.545 95 HD22 ASN 14 2HD2 ASN 14 -13.720 -5.480 -0.508 96 H GLU 15 H GLU 15 -9.097 -3.113 -2.197 97 HA GLU 15 HA GLU 15 -10.087 -5.245 -3.582 98 HB2 GLU 15 2HB GLU 15 -9.705 -2.903 -4.443 99 HB3 GLU 15 1HB GLU 15 -7.984 -3.234 -4.408 100 HG2 GLU 15 2HG GLU 15 -9.946 -4.741 -6.126 101 HG3 GLU 15 1HG GLU 15 -9.021 -3.340 -6.665 102 H THR 16 H THR 16 -8.763 -7.049 -4.471 103 HA THR 16 HA THR 16 -7.013 -8.195 -2.624 104 HB THR 16 HB THR 16 -7.590 -8.913 -5.487 105 HG1 THR 16 1HG THR 16 -8.902 -9.163 -3.147 106 HG21 THR 16 3HG2 THR 16 -6.253 -10.619 -3.332 107 HG22 THR 16 1HG2 THR 16 -5.432 -9.839 -4.694 108 HG23 THR 16 2HG2 THR 16 -6.627 -11.109 -4.982 109 H ASP 17 H ASP 17 -6.327 -6.778 -5.815 110 HA ASP 17 HA ASP 17 -3.657 -7.602 -5.636 111 HB2 ASP 17 2HB ASP 17 -4.695 -7.266 -7.800 112 HB3 ASP 17 1HB ASP 17 -4.976 -5.572 -7.346 113 H ASN 18 H ASN 18 -5.445 -4.601 -5.055 114 HA ASN 18 HA ASN 18 -3.134 -3.028 -4.739 115 HB2 ASN 18 2HB ASN 18 -5.659 -2.341 -5.302 116 HB3 ASN 18 1HB ASN 18 -5.699 -2.197 -3.541 117 HD21 ASN 18 1HD2 ASN 18 -3.034 -1.197 -3.170 118 HD22 ASN 18 2HD2 ASN 18 -3.054 0.418 -3.785 119 H SER 19 H SER 19 -4.663 -5.186 -2.770 120 HA SER 19 HA SER 19 -3.921 -3.907 -0.315 121 HB2 SER 19 2HB SER 19 -4.404 -6.078 0.897 122 HB3 SER 19 1HB SER 19 -5.738 -5.474 -0.085 123 HG SER 19 HG SER 19 -4.472 -7.112 -1.677 124 H CYS 20 H CYS 20 -2.123 -5.418 -2.605 125 HA CYS 20 HA CYS 20 0.027 -6.098 -0.772 126 HB2 CYS 20 2HB CYS 20 -0.339 -6.449 -3.707 127 HB3 CYS 20 1HB CYS 20 1.153 -6.883 -2.899 128 H LYS 21 H LYS 21 -1.036 -3.315 -1.833 129 HA LYS 21 HA LYS 21 1.652 -2.091 -1.934 130 HB2 LYS 21 2HB LYS 21 -0.890 -1.422 -3.360 131 HB3 LYS 21 1HB LYS 21 0.506 -0.343 -3.278 132 HG2 LYS 21 2HG LYS 21 0.646 -1.219 -5.451 133 HG3 LYS 21 1HG LYS 21 1.700 -2.286 -4.521 134 HD2 LYS 21 2HD LYS 21 -0.071 -3.972 -4.418 135 HD3 LYS 21 1HD LYS 21 -1.150 -2.897 -5.312 136 HE2 LYS 21 2HE LYS 21 0.406 -2.940 -7.225 137 HE3 LYS 21 1HE LYS 21 1.463 -4.028 -6.336 138 HZ1 LYS 21 3HZ LYS 21 -0.448 -5.684 -6.357 139 HZ2 LYS 21 1HZ LYS 21 0.058 -5.294 -7.894 140 HZ3 LYS 21 2HZ LYS 21 -1.308 -4.638 -7.301 141 H VAL 22 H VAL 22 1.998 -0.466 -1.212 142 HA VAL 22 HA VAL 22 0.917 -0.203 1.339 143 HB VAL 22 HB VAL 22 2.772 1.445 -0.321 144 HG11 VAL 22 1HG1 VAL 22 3.358 2.623 1.777 145 HG12 VAL 22 2HG1 VAL 22 2.042 1.816 2.641 146 HG13 VAL 22 3HG1 VAL 22 1.699 2.828 1.245 147 HG21 VAL 22 3HG2 VAL 22 3.265 -0.530 1.929 148 HG22 VAL 22 1HG2 VAL 22 4.521 0.306 1.028 149 HG23 VAL 22 2HG2 VAL 22 3.474 -0.932 0.251 150 H CYS 23 H CYS 23 -0.892 0.471 1.460 151 HA CYS 23 HA CYS 23 -1.862 2.660 -0.224 152 HB2 CYS 23 2HB CYS 23 -3.550 1.048 1.689 153 HB3 CYS 23 1HB CYS 23 -4.035 2.246 0.477 154 H CYS 24 H CYS 24 -2.841 4.460 0.507 155 HA CYS 24 HA CYS 24 -2.147 5.426 3.199 156 HB2 CYS 24 2HB CYS 24 -2.699 6.916 0.622 157 HB3 CYS 24 1HB CYS 24 -2.227 7.649 2.143 158 H ARG 25 H ARG 25 -3.946 7.305 3.671 159 HA ARG 25 HA ARG 25 -6.459 6.427 2.486 160 HB2 ARG 25 2HB ARG 25 -5.821 5.996 5.022 161 HB3 ARG 25 1HB ARG 25 -6.346 7.669 5.148 162 HG2 ARG 25 2HG ARG 25 -8.430 6.897 3.807 163 HG3 ARG 25 1HG ARG 25 -7.862 5.282 4.286 164 HD2 ARG 25 2HD ARG 25 -8.391 7.522 6.126 165 HD3 ARG 25 1HD ARG 25 -9.570 6.263 5.759 166 HE ARG 25 HE ARG 25 -7.927 4.637 6.637 167 HH11 ARG 25 1HH1 ARG 25 -7.789 7.996 7.847 168 HH12 ARG 25 2HH1 ARG 25 -6.834 7.594 9.200 169 HH21 ARG 25 1HH2 ARG 25 -6.639 4.124 8.611 170 HH22 ARG 25 2HH2 ARG 25 -6.218 5.422 9.631 171 H ASP 26 H ASP 26 -7.929 8.113 2.257 172 HA ASP 26 HA ASP 26 -6.552 10.639 1.875 173 HB2 ASP 26 2HB ASP 26 -7.579 10.848 -0.163 174 HB3 ASP 26 1HB ASP 26 -7.726 9.102 -0.031 175 H LEU 27 H LEU 27 -8.406 12.210 1.626 176 HA LEU 27 HA LEU 27 -9.131 12.922 4.179 177 HB2 LEU 27 2HB LEU 27 -10.606 14.617 2.921 178 HB3 LEU 27 1HB LEU 27 -8.843 14.835 2.978 179 HG LEU 27 HG LEU 27 -10.216 13.474 0.654 180 HD11 LEU 27 1HD1 LEU 27 -10.422 15.684 -0.438 181 HD12 LEU 27 2HD1 LEU 27 -9.876 16.464 1.047 182 HD13 LEU 27 3HD1 LEU 27 -11.416 15.605 1.015 183 HD21 LEU 27 3HD2 LEU 27 -8.343 14.441 -0.608 184 HD22 LEU 27 1HD2 LEU 27 -7.742 13.458 0.727 185 HD23 LEU 27 2HD2 LEU 27 -7.747 15.212 0.858 186 H SER 28 H SER 28 -10.897 11.532 1.595 187 HA SER 28 HA SER 28 -13.439 11.825 2.809 188 HB2 SER 28 2HB SER 28 -13.265 11.988 0.380 189 HB3 SER 28 1HB SER 28 -12.590 10.366 0.295 190 HG SER 28 HG SER 28 -14.757 9.974 1.524 191 H GLY 29 H GLY 29 -10.871 9.920 3.295 192 HA2 GLY 29 2HA GLY 29 -10.588 8.414 4.709 193 HA3 GLY 29 1HA GLY 29 -12.331 8.104 4.887 194 H ARG 30 H ARG 30 -10.967 8.035 1.712 195 HA ARG 30 HA ARG 30 -11.503 5.201 1.515 196 HB2 ARG 30 2HB ARG 30 -10.581 7.231 -0.516 197 HB3 ARG 30 1HB ARG 30 -11.117 5.592 -0.864 198 HG2 ARG 30 2HG ARG 30 -13.335 6.081 -0.351 199 HG3 ARG 30 1HG ARG 30 -12.899 7.554 0.521 200 HD2 ARG 30 2HD ARG 30 -12.551 7.123 -2.434 201 HD3 ARG 30 1HD ARG 30 -13.891 8.002 -1.682 202 HE ARG 30 HE ARG 30 -11.428 9.041 -0.794 203 HH11 ARG 30 1HH1 ARG 30 -13.432 9.010 -3.697 204 HH12 ARG 30 2HH1 ARG 30 -12.955 10.556 -4.243 205 HH21 ARG 30 1HH2 ARG 30 -10.798 11.143 -1.466 206 HH22 ARG 30 2HH2 ARG 30 -11.363 11.838 -2.915 207 H CYS 31 H CYS 31 -9.923 3.714 1.139 208 HA CYS 31 HA CYS 31 -7.232 4.558 1.751 209 HB2 CYS 31 2HB CYS 31 -8.362 1.782 1.345 210 HB3 CYS 31 1HB CYS 31 -6.804 2.179 2.074 211 H VAL 32 H VAL 32 -5.827 4.985 0.203 212 HA VAL 32 HA VAL 32 -6.485 4.150 -2.427 213 HB VAL 32 HB VAL 32 -5.820 6.258 -3.309 214 HG11 VAL 32 1HG1 VAL 32 -7.267 6.931 -0.749 215 HG12 VAL 32 2HG1 VAL 32 -7.996 6.414 -2.268 216 HG13 VAL 32 3HG1 VAL 32 -7.146 7.954 -2.176 217 HG21 VAL 32 3HG2 VAL 32 -4.498 6.800 -0.652 218 HG22 VAL 32 1HG2 VAL 32 -4.733 8.054 -1.903 219 HG23 VAL 32 2HG2 VAL 32 -3.788 6.608 -2.260 220 HA PRO 33 HA PRO 33 -2.199 2.677 -2.263 221 HB2 PRO 33 2HB PRO 33 -1.358 3.272 -4.888 222 HB3 PRO 33 1HB PRO 33 -2.163 1.783 -4.373 223 HG2 PRO 33 2HG PRO 33 -3.216 3.719 -6.095 224 HG3 PRO 33 1HG PRO 33 -4.095 2.379 -5.341 225 HD2 PRO 33 2HD PRO 33 -4.034 5.254 -4.532 226 HD3 PRO 33 1HD PRO 33 -5.312 4.034 -4.324 227 H TYR 34 H TYR 34 -0.125 3.479 -1.572 228 HA TYR 34 HA TYR 34 0.342 6.230 -1.843 229 HB2 TYR 34 2HB TYR 34 1.477 5.683 -0.048 230 HB3 TYR 34 1HB TYR 34 1.661 3.984 -0.506 231 HD1 TYR 34 1HD TYR 34 3.142 7.435 -1.498 232 HD2 TYR 34 2HD TYR 34 3.926 3.238 -0.702 233 HE1 TYR 34 1HE TYR 34 5.392 7.751 -1.876 234 HE2 TYR 34 2HE TYR 34 6.203 3.649 -1.094 235 HH TYR 34 HH TYR 34 7.458 6.927 -1.678 236 H VAL 35 H VAL 35 1.287 7.425 -3.247 237 HA VAL 35 HA VAL 35 3.378 6.484 -4.942 238 HB VAL 35 HB VAL 35 1.790 8.542 -6.074 239 HG11 VAL 35 1HG1 VAL 35 3.514 7.581 -7.180 240 HG12 VAL 35 2HG1 VAL 35 2.047 7.408 -8.152 241 HG13 VAL 35 3HG1 VAL 35 2.715 6.008 -7.284 242 HG21 VAL 35 3HG2 VAL 35 -0.141 7.346 -5.182 243 HG22 VAL 35 1HG2 VAL 35 0.327 5.894 -6.053 244 HG23 VAL 35 2HG2 VAL 35 -0.173 7.337 -6.956 245 H ASP 36 H ASP 36 4.896 8.193 -4.798 246 HA ASP 36 HA ASP 36 3.880 10.705 -3.573 247 HB2 ASP 36 2HB ASP 36 6.091 11.007 -2.738 248 HB3 ASP 36 1HB ASP 36 5.426 9.455 -2.233 249 H ALA 37 H ALA 37 5.751 12.077 -3.987 250 HA ALA 37 HA ALA 37 4.206 13.164 -5.860 251 HB1 ALA 37 1HB ALA 37 5.163 14.057 -4.038 252 HB2 ALA 37 2HB ALA 37 5.509 15.127 -5.459 253 HB3 ALA 37 3HB ALA 37 6.777 14.044 -4.745 254 H GLU 38 H GLU 38 7.077 11.319 -6.017 255 HA GLU 38 HA GLU 38 8.009 12.137 -8.461 256 HB2 GLU 38 2HB GLU 38 8.518 9.990 -6.552 257 HB3 GLU 38 1HB GLU 38 9.402 10.011 -8.087 258 HG2 GLU 38 2HG GLU 38 10.380 12.162 -7.463 259 HG3 GLU 38 1HG GLU 38 9.409 12.190 -5.987 260 H GLN 39 H GLN 39 5.218 10.305 -7.483 261 HA GLN 39 HA GLN 39 3.873 9.020 -8.298 262 HB2 GLN 39 2HB GLN 39 5.541 9.620 -10.562 263 HB3 GLN 39 1HB GLN 39 4.047 8.644 -10.840 264 HG2 GLN 39 2HG GLN 39 4.386 11.424 -9.740 265 HG3 GLN 39 1HG GLN 39 3.720 11.070 -11.350 266 HE21 GLN 39 1HE2 GLN 39 2.602 12.581 -9.154 267 HE22 GLN 39 2HE2 GLN 39 1.120 11.789 -8.714 268 H LYS 40 H LYS 40 6.216 8.127 -7.010 269 HA LYS 40 HA LYS 40 6.809 5.619 -8.315 270 HB2 LYS 40 2HB LYS 40 8.577 5.384 -6.975 271 HB3 LYS 40 1HB LYS 40 8.322 7.190 -6.965 272 HG2 LYS 40 2HG LYS 40 7.535 7.182 -4.789 273 HG3 LYS 40 1HG LYS 40 7.325 5.431 -4.769 274 HD2 LYS 40 2HD LYS 40 9.273 6.041 -3.449 275 HD3 LYS 40 1HD LYS 40 9.779 5.154 -4.881 276 HE2 LYS 40 2HE LYS 40 11.282 7.014 -4.502 277 HE3 LYS 40 1HE LYS 40 10.352 7.310 -5.967 278 HZ1 LYS 40 3HZ LYS 40 9.650 8.449 -3.318 279 HZ2 LYS 40 1HZ LYS 40 8.936 8.809 -4.752 280 HZ3 LYS 40 2HZ LYS 40 10.502 9.315 -4.496 281 H ASN 41 H ASN 41 6.353 3.676 -7.405 282 HA ASN 41 HA ASN 41 4.105 3.794 -5.545 283 HB2 ASN 41 2HB ASN 41 3.855 3.004 -7.986 284 HB3 ASN 41 1HB ASN 41 4.793 1.631 -7.405 285 HD21 ASN 41 1HD2 ASN 41 1.739 3.304 -6.961 286 HD22 ASN 41 2HD2 ASN 41 0.890 1.976 -6.259 287 H LEU 42 H LEU 42 3.964 1.526 -4.544 288 HA LEU 42 HA LEU 42 6.429 0.313 -3.868 289 HB2 LEU 42 2HB LEU 42 6.840 2.122 -2.457 290 HB3 LEU 42 1HB LEU 42 5.148 2.269 -2.033 291 HG LEU 42 HG LEU 42 5.233 0.419 -0.755 292 HD11 LEU 42 1HD1 LEU 42 7.067 -0.925 -1.755 293 HD12 LEU 42 2HD1 LEU 42 7.474 -0.672 -0.058 294 HD13 LEU 42 3HD1 LEU 42 8.247 0.307 -1.307 295 HD21 LEU 42 3HD2 LEU 42 6.638 1.143 1.151 296 HD22 LEU 42 1HD2 LEU 42 5.577 2.335 0.434 297 HD23 LEU 42 2HD2 LEU 42 7.330 2.392 0.098 298 H PHE 43 H PHE 43 5.499 -1.598 -4.435 299 HA PHE 43 HA PHE 43 3.267 -2.610 -3.267 300 HB2 PHE 43 2HB PHE 43 4.037 -4.670 -4.412 301 HB3 PHE 43 1HB PHE 43 4.255 -3.172 -5.344 302 HD1 PHE 43 1HD PHE 43 6.336 -2.377 -6.062 303 HD2 PHE 43 2HD PHE 43 6.112 -5.798 -3.544 304 HE1 PHE 43 1HE PHE 43 8.700 -2.862 -6.520 305 HE2 PHE 43 2HE PHE 43 8.478 -6.285 -3.994 306 HZ PHE 43 HZ PHE 43 9.777 -4.818 -5.483 307 H LEU 44 H LEU 44 3.205 -4.134 -1.481 308 HA LEU 44 HA LEU 44 4.716 -3.563 0.570 309 HB2 LEU 44 2HB LEU 44 3.072 -6.027 0.060 310 HB3 LEU 44 1HB LEU 44 3.804 -5.713 1.612 311 HG LEU 44 HG LEU 44 1.712 -4.013 0.258 312 HD11 LEU 44 1HD1 LEU 44 0.281 -4.795 2.068 313 HD12 LEU 44 2HD1 LEU 44 1.598 -5.776 2.703 314 HD13 LEU 44 3HD1 LEU 44 0.890 -6.165 1.137 315 HD21 LEU 44 3HD2 LEU 44 3.003 -3.757 2.964 316 HD22 LEU 44 1HD2 LEU 44 1.668 -2.788 2.348 317 HD23 LEU 44 2HD2 LEU 44 3.252 -2.675 1.592 318 H ARG 45 H ARG 45 5.959 -5.564 1.846 319 HA ARG 45 HA ARG 45 7.781 -6.828 0.067 320 HB2 ARG 45 2HB ARG 45 7.577 -6.302 2.894 321 HB3 ARG 45 1HB ARG 45 8.398 -7.827 2.508 322 HG2 ARG 45 2HG ARG 45 10.066 -6.086 2.828 323 HG3 ARG 45 1HG ARG 45 10.024 -6.525 1.131 324 HD2 ARG 45 2HD ARG 45 8.599 -4.112 2.264 325 HD3 ARG 45 1HD ARG 45 10.251 -4.057 1.674 326 HE ARG 45 HE ARG 45 7.901 -4.703 0.000 327 HH11 ARG 45 1HH1 ARG 45 11.147 -3.291 0.307 328 HH12 ARG 45 2HH1 ARG 45 11.119 -2.522 -1.206 329 HH21 ARG 45 1HH2 ARG 45 7.837 -3.607 -2.046 330 HH22 ARG 45 2HH2 ARG 45 9.169 -2.725 -2.616 331 H LYS 46 H LYS 46 8.261 -9.244 0.542 332 HA LYS 46 HA LYS 46 5.862 -10.643 -0.058 333 HB2 LYS 46 2HB LYS 46 7.305 -12.692 -0.166 334 HB3 LYS 46 1HB LYS 46 7.825 -11.386 -1.209 335 HG2 LYS 46 2HG LYS 46 9.610 -10.817 0.298 336 HG3 LYS 46 1HG LYS 46 9.017 -11.958 1.494 337 HD2 LYS 46 2HD LYS 46 10.994 -12.836 0.315 338 HD3 LYS 46 1HD LYS 46 9.578 -13.829 0.017 339 HE2 LYS 46 2HE LYS 46 10.192 -11.678 -1.953 340 HE3 LYS 46 1HE LYS 46 11.255 -13.078 -1.923 341 HZ1 LYS 46 3HZ LYS 46 9.303 -13.201 -3.508 342 HZ2 LYS 46 1HZ LYS 46 8.277 -13.318 -2.229 343 HZ3 LYS 46 2HZ LYS 46 9.387 -14.506 -2.462 344 H GLY 47 H GLY 47 4.566 -11.791 1.078 345 HA2 GLY 47 2HA GLY 47 3.862 -13.297 2.663 346 HA3 GLY 47 1HA GLY 47 5.403 -13.130 3.529 347 H LYS 48 H LYS 48 3.515 -10.379 2.535 348 HA LYS 48 HA LYS 48 2.761 -9.987 5.299 349 HB2 LYS 48 2HB LYS 48 3.285 -8.298 2.997 350 HB3 LYS 48 1HB LYS 48 1.861 -7.779 3.899 351 HG2 LYS 48 2HG LYS 48 3.467 -6.510 4.971 352 HG3 LYS 48 1HG LYS 48 3.545 -7.953 5.957 353 HD2 LYS 48 2HD LYS 48 5.439 -7.257 3.692 354 HD3 LYS 48 1HD LYS 48 5.767 -7.007 5.395 355 HE2 LYS 48 2HE LYS 48 5.384 -9.656 3.996 356 HE3 LYS 48 1HE LYS 48 6.910 -8.978 4.542 357 HZ1 LYS 48 3HZ LYS 48 6.070 -10.672 6.004 358 HZ2 LYS 48 1HZ LYS 48 4.652 -9.826 6.274 359 HZ3 LYS 48 2HZ LYS 48 6.129 -9.204 6.844 360 HA PRO 49 HA PRO 49 -1.213 -11.585 4.281 361 HB2 PRO 49 2HB PRO 49 -2.663 -10.473 6.321 362 HB3 PRO 49 1HB PRO 49 -1.594 -11.875 6.546 363 HG2 PRO 49 2HG PRO 49 -1.089 -9.024 7.182 364 HG3 PRO 49 1HG PRO 49 -0.638 -10.483 8.087 365 HD2 PRO 49 2HD PRO 49 1.127 -9.131 6.560 366 HD3 PRO 49 1HD PRO 49 1.213 -10.887 6.801 367 H CYS 50 H CYS 50 -2.819 -10.957 3.009 368 HA CYS 50 HA CYS 50 -3.441 -8.148 2.839 369 HB2 CYS 50 2HB CYS 50 -3.525 -8.369 0.416 370 HB3 CYS 50 1HB CYS 50 -1.942 -8.831 1.019 371 H THR 51 H THR 51 -5.331 -8.778 0.709 372 HA THR 51 HA THR 51 -7.686 -9.209 2.088 373 HB THR 51 HB THR 51 -8.490 -9.708 -0.325 374 HG1 THR 51 1HG THR 51 -6.012 -8.587 -1.066 375 HG21 THR 51 3HG2 THR 51 -8.611 -7.518 0.851 376 HG22 THR 51 1HG2 THR 51 -8.290 -7.376 -0.895 377 HG23 THR 51 2HG2 THR 51 -6.961 -7.223 0.250 378 H VAL 52 H VAL 52 -6.297 -11.239 -0.322 379 HA VAL 52 HA VAL 52 -7.910 -13.452 0.572 380 HB VAL 52 HB VAL 52 -7.263 -14.638 -1.466 381 HG11 VAL 52 1HG1 VAL 52 -9.205 -13.212 -1.518 382 HG12 VAL 52 2HG1 VAL 52 -8.345 -13.027 -3.055 383 HG13 VAL 52 3HG1 VAL 52 -8.199 -11.794 -1.798 384 HG21 VAL 52 3HG2 VAL 52 -5.714 -12.139 -2.201 385 HG22 VAL 52 1HG2 VAL 52 -5.939 -13.554 -3.204 386 HG23 VAL 52 2HG2 VAL 52 -4.957 -13.673 -1.752 387 H GLY 53 H GLY 53 -4.511 -12.777 0.587 388 HA2 GLY 53 2HA GLY 53 -4.126 -14.822 2.504 389 HA3 GLY 53 1HA GLY 53 -3.476 -15.211 0.903 390 H PHE 54 H PHE 54 -1.485 -14.591 0.464 391 HA PHE 54 HA PHE 54 -0.374 -12.391 2.054 392 HB2 PHE 54 2HB PHE 54 1.022 -14.928 1.293 393 HB3 PHE 54 1HB PHE 54 1.824 -13.503 1.992 394 HD1 PHE 54 2HD PHE 54 1.313 -12.852 4.325 395 HD2 PHE 54 1HD PHE 54 -0.180 -16.464 2.644 396 HE1 PHE 54 2HE PHE 54 0.811 -13.686 6.580 397 HE2 PHE 54 1HE PHE 54 -0.688 -17.307 4.897 398 HZ PHE 54 HZ PHE 54 -0.191 -15.917 6.871 399 H CYS 55 H CYS 55 1.039 -11.156 1.151 400 HA CYS 55 HA CYS 55 0.892 -10.842 -1.748 401 HB2 CYS 55 2HB CYS 55 2.022 -9.182 0.438 402 HB3 CYS 55 1HB CYS 55 2.087 -8.732 -1.260 403 H ASP 56 H ASP 56 2.527 -11.307 -3.059 404 HA ASP 56 HA ASP 56 5.153 -11.538 -1.744 405 HB2 ASP 56 2HB ASP 56 4.298 -13.527 -3.201 406 HB3 ASP 56 1HB ASP 56 4.721 -12.506 -4.578 407 H MET 57 H MET 57 6.879 -11.046 -3.883 408 HA MET 57 HA MET 57 6.793 -8.162 -3.773 409 HB2 MET 57 2HB MET 57 8.832 -10.082 -4.886 410 HB3 MET 57 1HB MET 57 9.013 -8.334 -4.942 411 HG2 MET 57 2HG MET 57 8.995 -8.205 -2.540 412 HG3 MET 57 1HG MET 57 8.654 -9.925 -2.417 413 HE1 MET 57 3HE MET 57 11.319 -7.207 -3.466 414 HE2 MET 57 1HE MET 57 11.166 -8.180 -4.932 415 HE3 MET 57 2HE MET 57 12.658 -8.224 -3.996 416 H ASN 58 H ASN 58 5.380 -10.236 -5.725 417 HA ASN 58 HA ASN 58 5.705 -8.794 -8.213 418 HB2 ASN 58 2HB ASN 58 5.280 -11.211 -8.291 419 HB3 ASN 58 1HB ASN 58 3.789 -11.003 -7.388 420 HD21 ASN 58 1HD2 ASN 58 5.357 -10.541 -10.481 421 HD22 ASN 58 2HD2 ASN 58 3.888 -10.312 -11.369 422 H GLY 59 H GLY 59 3.909 -8.536 -5.343 423 HA2 GLY 59 2HA GLY 59 2.482 -6.794 -4.713 424 HA3 GLY 59 1HA GLY 59 2.348 -6.323 -6.418 425 H LYS 60 H LYS 60 1.987 -9.560 -5.933 426 HA LYS 60 HA LYS 60 -1.012 -9.470 -5.809 427 HB2 LYS 60 2HB LYS 60 0.937 -11.274 -7.152 428 HB3 LYS 60 1HB LYS 60 -0.627 -11.843 -6.619 429 HG2 LYS 60 2HG LYS 60 -1.682 -10.142 -8.027 430 HG3 LYS 60 1HG LYS 60 -0.090 -9.681 -8.640 431 HD2 LYS 60 2HD LYS 60 -0.992 -11.184 -10.264 432 HD3 LYS 60 1HD LYS 60 0.203 -12.100 -9.363 433 HE2 LYS 60 2HE LYS 60 -2.803 -12.234 -8.914 434 HE3 LYS 60 1HE LYS 60 -1.887 -13.383 -9.866 435 HZ1 LYS 60 3HZ LYS 60 -1.817 -13.063 -6.871 436 HZ2 LYS 60 1HZ LYS 60 -0.668 -13.956 -7.662 437 HZ3 LYS 60 2HZ LYS 60 -2.205 -14.394 -7.719 438 H CYS 61 H CYS 61 -2.005 -10.515 -4.672 439 HA CYS 61 HA CYS 61 -0.878 -11.920 -2.467 440 HB2 CYS 61 2HB CYS 61 -3.419 -11.357 -3.779 441 HB3 CYS 61 1HB CYS 61 -3.454 -12.460 -2.356 442 H GLU 62 H GLU 62 -0.629 -14.133 -2.641 443 HA GLU 62 HA GLU 62 0.420 -15.577 -4.145 444 HB2 GLU 62 2HB GLU 62 -1.406 -17.524 -4.171 445 HB3 GLU 62 1HB GLU 62 -0.544 -16.971 -2.741 446 HG2 GLU 62 2HG GLU 62 -3.258 -15.909 -3.430 447 HG3 GLU 62 1HG GLU 62 -3.057 -17.403 -2.505 Start of MODEL 3 1 H PHE 1 1HT PHE 1 4.075 3.872 8.337 2 HA PHE 1 HA PHE 1 4.929 4.221 6.318 3 HB2 PHE 1 2HB PHE 1 4.007 3.112 4.239 4 HB3 PHE 1 1HB PHE 1 4.879 2.014 5.287 5 HD1 PHE 1 2HD PHE 1 3.459 0.469 6.774 6 HD2 PHE 1 1HD PHE 1 1.939 2.689 3.506 7 HE1 PHE 1 2HE PHE 1 1.557 -1.089 6.631 8 HE2 PHE 1 1HE PHE 1 0.016 1.128 3.335 9 HZ PHE 1 HZ PHE 1 -0.167 -0.760 4.902 10 H CYS 2 H CYS 2 3.836 5.190 4.514 11 HA CYS 2 HA CYS 2 3.202 7.158 4.033 12 HB2 CYS 2 2HB CYS 2 0.848 5.623 4.330 13 HB3 CYS 2 1HB CYS 2 0.523 7.356 4.361 14 H GLU 3 H GLU 3 2.634 6.628 7.168 15 HA GLU 3 HA GLU 3 1.575 9.173 7.970 16 HB2 GLU 3 2HB GLU 3 1.498 7.030 9.326 17 HB3 GLU 3 1HB GLU 3 3.195 7.260 9.674 18 HG2 GLU 3 2HG GLU 3 0.977 9.137 10.527 19 HG3 GLU 3 1HG GLU 3 1.689 7.895 11.540 20 H ARG 4 H ARG 4 4.874 7.916 8.455 21 HA ARG 4 HA ARG 4 5.616 10.463 9.307 22 HB2 ARG 4 2HB ARG 4 6.440 8.248 10.267 23 HB3 ARG 4 1HB ARG 4 7.510 8.168 8.873 24 HG2 ARG 4 2HG ARG 4 8.833 9.097 10.562 25 HG3 ARG 4 1HG ARG 4 8.338 10.479 9.586 26 HD2 ARG 4 2HD ARG 4 7.326 9.647 12.312 27 HD3 ARG 4 1HD ARG 4 8.071 11.170 11.847 28 HE ARG 4 HE ARG 4 5.307 10.369 11.583 29 HH11 ARG 4 1HH1 ARG 4 7.714 12.728 10.413 30 HH12 ARG 4 2HH1 ARG 4 6.502 13.801 9.836 31 HH21 ARG 4 1HH2 ARG 4 3.781 11.841 10.823 32 HH22 ARG 4 2HH2 ARG 4 4.273 13.294 10.040 33 H GLU 5 H GLU 5 6.010 8.445 6.546 34 HA GLU 5 HA GLU 5 7.943 9.934 5.266 35 HB2 GLU 5 2HB GLU 5 7.015 8.553 3.334 36 HB3 GLU 5 1HB GLU 5 7.985 7.811 4.672 37 HG2 GLU 5 2HG GLU 5 4.988 7.754 4.587 38 HG3 GLU 5 1HG GLU 5 5.903 6.566 3.670 39 H GLN 6 H GLN 6 4.385 9.848 4.726 40 HA GLN 6 HA GLN 6 4.829 11.882 2.595 41 HB2 GLN 6 2HB GLN 6 2.544 9.932 2.811 42 HB3 GLN 6 1HB GLN 6 2.793 11.102 1.534 43 HG2 GLN 6 2HG GLN 6 4.462 8.716 2.159 44 HG3 GLN 6 1HG GLN 6 3.301 8.909 0.817 45 HE21 GLN 6 1HE2 GLN 6 3.894 10.297 -0.927 46 HE22 GLN 6 2HE2 GLN 6 5.533 10.748 -1.199 47 H GLN 7 H GLN 7 3.783 11.509 5.642 48 HA GLN 7 HA GLN 7 2.568 12.327 6.950 49 HB2 GLN 7 2HB GLN 7 2.293 14.558 4.974 50 HB3 GLN 7 1HB GLN 7 1.493 14.687 6.531 51 HG2 GLN 7 2HG GLN 7 4.349 14.039 6.232 52 HG3 GLN 7 1HG GLN 7 3.826 15.745 6.292 53 HE21 GLN 7 1HE2 GLN 7 1.679 14.736 8.247 54 HE22 GLN 7 2HE2 GLN 7 2.484 14.576 9.754 55 H LEU 8 H LEU 8 1.480 10.685 4.950 56 HA LEU 8 HA LEU 8 -1.491 11.022 4.852 57 HB2 LEU 8 2HB LEU 8 0.487 9.110 3.636 58 HB3 LEU 8 1HB LEU 8 -1.252 8.896 3.524 59 HG LEU 8 HG LEU 8 0.285 11.202 2.502 60 HD11 LEU 8 1HD1 LEU 8 1.016 9.255 1.233 61 HD12 LEU 8 2HD1 LEU 8 -0.167 10.082 0.211 62 HD13 LEU 8 3HD1 LEU 8 -0.638 8.654 1.139 63 HD21 LEU 8 3HD2 LEU 8 -2.029 11.752 2.865 64 HD22 LEU 8 1HD2 LEU 8 -2.543 10.309 1.988 65 HD23 LEU 8 2HD2 LEU 8 -1.745 11.626 1.130 66 H GLU 9 H GLU 9 -2.172 8.656 4.989 67 HA GLU 9 HA GLU 9 -1.001 7.507 7.408 68 HB2 GLU 9 2HB GLU 9 -3.343 8.759 7.696 69 HB3 GLU 9 1HB GLU 9 -3.970 7.301 6.940 70 HG2 GLU 9 2HG GLU 9 -2.185 7.094 9.292 71 HG3 GLU 9 1HG GLU 9 -3.910 7.455 9.560 72 H SER 10 H SER 10 -1.365 5.145 7.384 73 HA SER 10 HA SER 10 -1.081 4.272 4.705 74 HB2 SER 10 2HB SER 10 -0.145 2.380 5.807 75 HB3 SER 10 1HB SER 10 0.369 3.985 6.430 76 HG SER 10 HG SER 10 -1.498 3.477 8.078 77 H CYS 11 H CYS 11 -2.244 2.200 4.044 78 HA CYS 11 HA CYS 11 -4.227 1.074 5.672 79 HB2 CYS 11 2HB CYS 11 -5.478 3.227 4.851 80 HB3 CYS 11 1HB CYS 11 -5.391 2.519 3.250 81 H ALA 12 H ALA 12 -5.716 -0.323 3.894 82 HA ALA 12 HA ALA 12 -3.807 -1.433 1.983 83 HB1 ALA 12 1HB ALA 12 -3.980 -2.947 3.911 84 HB2 ALA 12 2HB ALA 12 -4.745 -3.664 2.492 85 HB3 ALA 12 3HB ALA 12 -5.738 -2.945 3.761 86 H CYS 13 H CYS 13 -4.687 -1.722 -0.022 87 HA CYS 13 HA CYS 13 -7.216 -0.560 -0.539 88 HB2 CYS 13 2HB CYS 13 -5.321 -2.093 -2.325 89 HB3 CYS 13 1HB CYS 13 -6.705 -1.159 -2.863 90 H ASN 14 H ASN 14 -9.101 -1.466 -1.001 91 HA ASN 14 HA ASN 14 -9.734 -4.033 -0.074 92 HB2 ASN 14 2HB ASN 14 -11.265 -2.220 -1.920 93 HB3 ASN 14 1HB ASN 14 -11.950 -3.615 -1.094 94 HD21 ASN 14 1HD2 ASN 14 -12.340 -3.479 1.137 95 HD22 ASN 14 2HD2 ASN 14 -12.320 -1.957 1.960 96 H GLU 15 H GLU 15 -8.639 -2.881 -3.121 97 HA GLU 15 HA GLU 15 -9.636 -4.934 -4.617 98 HB2 GLU 15 2HB GLU 15 -9.053 -2.607 -5.424 99 HB3 GLU 15 1HB GLU 15 -7.365 -3.057 -5.240 100 HG2 GLU 15 2HG GLU 15 -9.219 -4.510 -7.099 101 HG3 GLU 15 1HG GLU 15 -8.287 -3.094 -7.582 102 H THR 16 H THR 16 -8.491 -6.829 -5.231 103 HA THR 16 HA THR 16 -6.905 -8.054 -3.342 104 HB THR 16 HB THR 16 -7.381 -8.729 -6.231 105 HG1 THR 16 1HG THR 16 -8.851 -8.859 -3.979 106 HG21 THR 16 3HG2 THR 16 -6.288 -10.508 -4.013 107 HG22 THR 16 1HG2 THR 16 -5.357 -9.827 -5.356 108 HG23 THR 16 2HG2 THR 16 -6.644 -11.002 -5.671 109 H ASP 17 H ASP 17 -5.914 -6.755 -6.514 110 HA ASP 17 HA ASP 17 -3.314 -7.794 -6.157 111 HB2 ASP 17 2HB ASP 17 -4.457 -7.307 -8.361 112 HB3 ASP 17 1HB ASP 17 -4.104 -5.609 -7.989 113 H ASN 18 H ASN 18 -4.908 -4.665 -5.727 114 HA ASN 18 HA ASN 18 -2.498 -3.282 -5.293 115 HB2 ASN 18 2HB ASN 18 -5.348 -2.489 -5.012 116 HB3 ASN 18 1HB ASN 18 -4.100 -1.476 -4.300 117 HD21 ASN 18 1HD2 ASN 18 -5.325 -2.817 -7.312 118 HD22 ASN 18 2HD2 ASN 18 -4.570 -1.656 -8.336 119 H SER 19 H SER 19 -4.143 -5.302 -3.371 120 HA SER 19 HA SER 19 -3.241 -3.994 -0.979 121 HB2 SER 19 2HB SER 19 -4.045 -6.018 0.321 122 HB3 SER 19 1HB SER 19 -5.267 -5.254 -0.691 123 HG SER 19 HG SER 19 -4.224 -7.088 -2.225 124 H CYS 20 H CYS 20 -1.475 -5.450 -3.236 125 HA CYS 20 HA CYS 20 0.465 -6.431 -1.263 126 HB2 CYS 20 2HB CYS 20 -0.157 -7.744 -3.543 127 HB3 CYS 20 1HB CYS 20 1.055 -6.667 -4.231 128 H LYS 21 H LYS 21 -0.428 -3.569 -2.457 129 HA LYS 21 HA LYS 21 2.279 -2.409 -2.328 130 HB2 LYS 21 2HB LYS 21 -0.012 -1.782 -4.099 131 HB3 LYS 21 1HB LYS 21 1.389 -0.709 -3.920 132 HG2 LYS 21 2HG LYS 21 2.054 -1.740 -5.863 133 HG3 LYS 21 1HG LYS 21 2.566 -3.024 -4.775 134 HD2 LYS 21 2HD LYS 21 1.320 -4.049 -6.539 135 HD3 LYS 21 1HD LYS 21 0.287 -4.063 -5.107 136 HE2 LYS 21 2HE LYS 21 -0.838 -2.006 -5.947 137 HE3 LYS 21 1HE LYS 21 0.163 -2.090 -7.389 138 HZ1 LYS 21 3HZ LYS 21 -2.105 -3.050 -7.653 139 HZ2 LYS 21 1HZ LYS 21 -1.711 -4.224 -6.542 140 HZ3 LYS 21 2HZ LYS 21 -0.939 -4.222 -7.983 141 H VAL 22 H VAL 22 2.341 -0.430 -1.969 142 HA VAL 22 HA VAL 22 1.264 -0.151 0.605 143 HB VAL 22 HB VAL 22 2.932 1.675 -1.074 144 HG11 VAL 22 1HG1 VAL 22 1.752 2.965 0.496 145 HG12 VAL 22 2HG1 VAL 22 3.435 2.824 1.071 146 HG13 VAL 22 3HG1 VAL 22 2.140 1.871 1.825 147 HG21 VAL 22 3HG2 VAL 22 3.636 -0.173 1.218 148 HG22 VAL 22 1HG2 VAL 22 4.773 0.750 0.237 149 HG23 VAL 22 2HG2 VAL 22 3.817 -0.608 -0.454 150 H CYS 23 H CYS 23 -0.582 0.235 0.706 151 HA CYS 23 HA CYS 23 -1.794 2.443 -0.777 152 HB2 CYS 23 2HB CYS 23 -3.201 0.613 1.129 153 HB3 CYS 23 1HB CYS 23 -3.888 1.785 -0.002 154 H CYS 24 H CYS 24 -2.864 4.099 0.258 155 HA CYS 24 HA CYS 24 -2.106 4.530 3.008 156 HB2 CYS 24 2HB CYS 24 -1.628 6.448 0.716 157 HB3 CYS 24 1HB CYS 24 -1.334 6.809 2.411 158 H ARG 25 H ARG 25 -3.302 6.923 3.492 159 HA ARG 25 HA ARG 25 -5.997 6.328 2.569 160 HB2 ARG 25 2HB ARG 25 -5.067 5.888 5.036 161 HB3 ARG 25 1HB ARG 25 -5.532 7.582 5.169 162 HG2 ARG 25 2HG ARG 25 -7.752 6.909 4.161 163 HG3 ARG 25 1HG ARG 25 -7.192 5.247 4.427 164 HD2 ARG 25 2HD ARG 25 -7.373 7.354 6.458 165 HD3 ARG 25 1HD ARG 25 -8.624 6.135 6.199 166 HE ARG 25 HE ARG 25 -5.968 5.676 7.436 167 HH11 ARG 25 1HH1 ARG 25 -8.929 4.170 6.205 168 HH12 ARG 25 2HH1 ARG 25 -8.619 2.675 6.958 169 HH21 ARG 25 1HH2 ARG 25 -5.555 3.814 8.398 170 HH22 ARG 25 2HH2 ARG 25 -6.561 2.423 8.327 171 H ASP 26 H ASP 26 -7.335 8.123 2.573 172 HA ASP 26 HA ASP 26 -5.856 10.541 1.969 173 HB2 ASP 26 2HB ASP 26 -7.130 10.813 0.082 174 HB3 ASP 26 1HB ASP 26 -7.373 9.082 0.256 175 H LEU 27 H LEU 27 -7.574 12.263 2.027 176 HA LEU 27 HA LEU 27 -7.924 12.935 4.664 177 HB2 LEU 27 2HB LEU 27 -9.337 14.322 2.415 178 HB3 LEU 27 1HB LEU 27 -8.846 15.019 3.946 179 HG LEU 27 HG LEU 27 -6.449 14.284 2.962 180 HD11 LEU 27 1HD1 LEU 27 -8.049 14.998 0.522 181 HD12 LEU 27 2HD1 LEU 27 -7.384 13.417 0.878 182 HD13 LEU 27 3HD1 LEU 27 -6.299 14.783 0.592 183 HD21 LEU 27 3HD2 LEU 27 -7.017 16.505 3.803 184 HD22 LEU 27 1HD2 LEU 27 -7.910 16.850 2.321 185 HD23 LEU 27 2HD2 LEU 27 -6.160 16.626 2.266 186 H SER 28 H SER 28 -10.100 11.528 2.343 187 HA SER 28 HA SER 28 -12.404 12.044 3.919 188 HB2 SER 28 2HB SER 28 -12.603 12.276 1.499 189 HB3 SER 28 1HB SER 28 -12.057 10.621 1.268 190 HG SER 28 HG SER 28 -14.028 10.310 2.805 191 H GLY 29 H GLY 29 -9.929 10.016 4.082 192 HA2 GLY 29 2HA GLY 29 -9.547 8.406 5.368 193 HA3 GLY 29 1HA GLY 29 -11.264 8.211 5.782 194 H ARG 30 H ARG 30 -10.405 8.160 2.433 195 HA ARG 30 HA ARG 30 -11.194 5.391 2.244 196 HB2 ARG 30 2HB ARG 30 -10.401 7.418 0.161 197 HB3 ARG 30 1HB ARG 30 -11.102 5.837 -0.157 198 HG2 ARG 30 2HG ARG 30 -13.179 6.456 0.709 199 HG3 ARG 30 1HG ARG 30 -12.511 7.872 1.523 200 HD2 ARG 30 2HD ARG 30 -12.643 7.490 -1.455 201 HD3 ARG 30 1HD ARG 30 -13.791 8.437 -0.495 202 HE ARG 30 HE ARG 30 -11.148 9.287 0.005 203 HH11 ARG 30 1HH1 ARG 30 -13.607 9.467 -2.517 204 HH12 ARG 30 2HH1 ARG 30 -13.128 10.997 -3.106 205 HH21 ARG 30 1HH2 ARG 30 -10.501 11.369 -0.726 206 HH22 ARG 30 2HH2 ARG 30 -11.257 12.138 -2.046 207 H CYS 31 H CYS 31 -9.861 3.791 1.459 208 HA CYS 31 HA CYS 31 -7.041 4.271 1.822 209 HB2 CYS 31 2HB CYS 31 -8.545 1.705 1.279 210 HB3 CYS 31 1HB CYS 31 -6.873 1.843 1.828 211 H VAL 32 H VAL 32 -5.700 4.572 0.158 212 HA VAL 32 HA VAL 32 -6.701 4.046 -2.433 213 HB VAL 32 HB VAL 32 -6.104 6.185 -3.243 214 HG11 VAL 32 1HG1 VAL 32 -7.158 7.890 -1.860 215 HG12 VAL 32 2HG1 VAL 32 -7.114 6.830 -0.475 216 HG13 VAL 32 3HG1 VAL 32 -8.098 6.396 -1.880 217 HG21 VAL 32 3HG2 VAL 32 -4.720 7.854 -1.945 218 HG22 VAL 32 1HG2 VAL 32 -3.914 6.368 -2.474 219 HG23 VAL 32 2HG2 VAL 32 -4.395 6.543 -0.784 220 HA PRO 33 HA PRO 33 -2.421 2.522 -2.624 221 HB2 PRO 33 2HB PRO 33 -1.853 3.038 -5.338 222 HB3 PRO 33 1HB PRO 33 -2.651 1.583 -4.715 223 HG2 PRO 33 2HG PRO 33 -3.814 3.553 -6.350 224 HG3 PRO 33 1HG PRO 33 -4.633 2.207 -5.543 225 HD2 PRO 33 2HD PRO 33 -4.489 5.070 -4.704 226 HD3 PRO 33 1HD PRO 33 -5.740 3.846 -4.385 227 H TYR 34 H TYR 34 -0.261 3.459 -2.164 228 HA TYR 34 HA TYR 34 -0.241 6.256 -2.594 229 HB2 TYR 34 2HB TYR 34 0.810 6.062 -0.719 230 HB3 TYR 34 1HB TYR 34 1.442 4.433 -1.008 231 HD1 TYR 34 1HD TYR 34 2.049 8.005 -2.403 232 HD2 TYR 34 2HD TYR 34 3.752 4.359 -0.915 233 HE1 TYR 34 1HE TYR 34 4.159 8.845 -2.786 234 HE2 TYR 34 2HE TYR 34 5.984 5.328 -1.307 235 HH TYR 34 HH TYR 34 6.362 8.632 -2.352 236 H VAL 35 H VAL 35 0.304 7.334 -4.140 237 HA VAL 35 HA VAL 35 2.632 6.718 -5.637 238 HB VAL 35 HB VAL 35 0.704 8.136 -7.105 239 HG11 VAL 35 1HG1 VAL 35 2.184 5.662 -7.792 240 HG12 VAL 35 2HG1 VAL 35 2.663 7.351 -7.969 241 HG13 VAL 35 3HG1 VAL 35 1.330 6.715 -8.945 242 HG21 VAL 35 3HG2 VAL 35 -0.896 6.374 -7.801 243 HG22 VAL 35 1HG2 VAL 35 -1.011 6.742 -6.076 244 HG23 VAL 35 2HG2 VAL 35 -0.175 5.281 -6.609 245 H ASP 36 H ASP 36 3.682 8.686 -5.715 246 HA ASP 36 HA ASP 36 2.064 11.065 -5.025 247 HB2 ASP 36 2HB ASP 36 4.155 11.978 -4.214 248 HB3 ASP 36 1HB ASP 36 3.665 10.478 -3.402 249 H ALA 37 H ALA 37 3.906 12.707 -5.791 250 HA ALA 37 HA ALA 37 2.054 12.963 -7.780 251 HB1 ALA 37 1HB ALA 37 2.575 14.442 -6.179 252 HB2 ALA 37 2HB ALA 37 2.720 15.261 -7.784 253 HB3 ALA 37 3HB ALA 37 4.180 14.776 -6.829 254 H GLU 38 H GLU 38 5.317 12.074 -7.499 255 HA GLU 38 HA GLU 38 6.094 12.507 -10.066 256 HB2 GLU 38 2HB GLU 38 7.041 10.944 -7.806 257 HB3 GLU 38 1HB GLU 38 8.075 11.182 -9.249 258 HG2 GLU 38 2HG GLU 38 8.874 12.985 -8.070 259 HG3 GLU 38 1HG GLU 38 7.285 13.701 -8.401 260 H GLN 39 H GLN 39 3.810 10.303 -8.691 261 HA GLN 39 HA GLN 39 2.847 8.618 -9.261 262 HB2 GLN 39 2HB GLN 39 4.511 9.152 -11.521 263 HB3 GLN 39 1HB GLN 39 3.439 7.709 -11.630 264 HG2 GLN 39 2HG GLN 39 1.547 9.277 -11.242 265 HG3 GLN 39 1HG GLN 39 2.708 10.600 -11.153 266 HE21 GLN 39 1HE2 GLN 39 4.324 9.559 -13.323 267 HE22 GLN 39 2HE2 GLN 39 3.436 9.853 -14.785 268 H LYS 40 H LYS 40 5.154 8.457 -7.607 269 HA LYS 40 HA LYS 40 6.265 5.907 -8.410 270 HB2 LYS 40 2HB LYS 40 8.007 6.265 -7.123 271 HB3 LYS 40 1HB LYS 40 7.405 7.970 -7.401 272 HG2 LYS 40 2HG LYS 40 6.535 8.087 -5.214 273 HG3 LYS 40 1HG LYS 40 6.865 6.381 -4.912 274 HD2 LYS 40 2HD LYS 40 8.527 7.735 -3.774 275 HD3 LYS 40 1HD LYS 40 9.296 6.850 -5.087 276 HE2 LYS 40 2HE LYS 40 10.121 9.147 -4.989 277 HE3 LYS 40 1HE LYS 40 9.229 8.877 -6.483 278 HZ1 LYS 40 3HZ LYS 40 7.344 10.002 -5.561 279 HZ2 LYS 40 1HZ LYS 40 8.602 11.055 -5.338 280 HZ3 LYS 40 2HZ LYS 40 7.946 10.117 -4.094 281 H ASN 41 H ASN 41 6.104 4.134 -7.210 282 HA ASN 41 HA ASN 41 3.852 4.126 -5.337 283 HB2 ASN 41 2HB ASN 41 3.496 3.197 -7.683 284 HB3 ASN 41 1HB ASN 41 4.749 2.049 -7.227 285 HD21 ASN 41 1HD2 ASN 41 2.149 3.083 -5.036 286 HD22 ASN 41 2HD2 ASN 41 1.386 1.542 -4.957 287 H LEU 42 H LEU 42 4.057 1.735 -4.328 288 HA LEU 42 HA LEU 42 6.798 0.922 -3.784 289 HB2 LEU 42 2HB LEU 42 4.869 1.693 -1.636 290 HB3 LEU 42 1HB LEU 42 6.306 0.752 -1.365 291 HG LEU 42 HG LEU 42 6.181 3.621 -2.220 292 HD11 LEU 42 1HD1 LEU 42 6.921 2.291 0.402 293 HD12 LEU 42 2HD1 LEU 42 5.373 3.021 0.065 294 HD13 LEU 42 3HD1 LEU 42 6.832 4.039 0.121 295 HD21 LEU 42 3HD2 LEU 42 8.602 3.606 -1.725 296 HD22 LEU 42 1HD2 LEU 42 8.211 2.499 -3.042 297 HD23 LEU 42 2HD2 LEU 42 8.523 1.869 -1.425 298 H PHE 43 H PHE 43 6.898 -1.191 -3.369 299 HA PHE 43 HA PHE 43 4.572 -2.705 -3.453 300 HB2 PHE 43 2HB PHE 43 6.303 -3.496 -4.827 301 HB3 PHE 43 1HB PHE 43 7.523 -3.208 -3.601 302 HD1 PHE 43 2HD PHE 43 4.406 -5.243 -3.908 303 HD2 PHE 43 1HD PHE 43 8.512 -5.102 -2.808 304 HE1 PHE 43 2HE PHE 43 4.312 -7.597 -3.242 305 HE2 PHE 43 1HE PHE 43 8.419 -7.465 -2.144 306 HZ PHE 43 HZ PHE 43 6.304 -8.706 -2.355 307 H LEU 44 H LEU 44 3.792 -3.953 -1.559 308 HA LEU 44 HA LEU 44 4.647 -3.129 0.850 309 HB2 LEU 44 2HB LEU 44 2.696 -5.194 -0.024 310 HB3 LEU 44 1HB LEU 44 3.184 -5.176 1.654 311 HG LEU 44 HG LEU 44 1.859 -2.888 0.187 312 HD11 LEU 44 1HD1 LEU 44 0.829 -4.791 2.288 313 HD12 LEU 44 2HD1 LEU 44 0.357 -4.767 0.589 314 HD13 LEU 44 3HD1 LEU 44 -0.043 -3.405 1.636 315 HD21 LEU 44 3HD2 LEU 44 3.363 -2.090 1.955 316 HD22 LEU 44 1HD2 LEU 44 2.610 -3.203 3.095 317 HD23 LEU 44 2HD2 LEU 44 1.678 -1.873 2.413 318 H ARG 45 H ARG 45 4.821 -5.318 2.488 319 HA ARG 45 HA ARG 45 7.272 -6.411 1.583 320 HB2 ARG 45 2HB ARG 45 5.945 -6.054 4.116 321 HB3 ARG 45 1HB ARG 45 7.219 -7.329 3.995 322 HG2 ARG 45 2HG ARG 45 8.148 -5.179 4.899 323 HG3 ARG 45 1HG ARG 45 8.836 -5.563 3.327 324 HD2 ARG 45 2HD ARG 45 7.244 -3.987 2.278 325 HD3 ARG 45 1HD ARG 45 6.607 -3.593 3.870 326 HE ARG 45 HE ARG 45 9.043 -2.936 4.311 327 HH11 ARG 45 1HH1 ARG 45 7.424 -2.491 1.132 328 HH12 ARG 45 2HH1 ARG 45 8.216 -1.069 0.764 329 HH21 ARG 45 1HH2 ARG 45 10.167 -0.903 3.754 330 HH22 ARG 45 2HH2 ARG 45 9.822 -0.128 2.286 331 H LYS 46 H LYS 46 7.749 -8.585 1.919 332 HA LYS 46 HA LYS 46 5.800 -10.276 0.639 333 HB2 LYS 46 2HB LYS 46 8.083 -10.395 -0.106 334 HB3 LYS 46 1HB LYS 46 8.657 -10.708 1.516 335 HG2 LYS 46 2HG LYS 46 7.597 -12.941 1.437 336 HG3 LYS 46 1HG LYS 46 7.063 -12.610 -0.215 337 HD2 LYS 46 2HD LYS 46 9.336 -12.436 -0.986 338 HD3 LYS 46 1HD LYS 46 9.955 -12.513 0.657 339 HE2 LYS 46 2HE LYS 46 10.308 -14.640 -0.462 340 HE3 LYS 46 1HE LYS 46 9.140 -14.836 0.835 341 HZ1 LYS 46 3HZ LYS 46 8.465 -16.017 -1.220 342 HZ2 LYS 46 1HZ LYS 46 8.382 -14.563 -2.051 343 HZ3 LYS 46 2HZ LYS 46 7.356 -14.825 -0.829 344 H GLY 47 H GLY 47 4.503 -11.654 1.383 345 HA2 GLY 47 2HA GLY 47 3.579 -13.309 2.648 346 HA3 GLY 47 1HA GLY 47 5.062 -13.368 3.622 347 H LYS 48 H LYS 48 3.083 -10.560 2.957 348 HA LYS 48 HA LYS 48 2.263 -10.571 5.744 349 HB2 LYS 48 2HB LYS 48 2.767 -8.523 3.698 350 HB3 LYS 48 1HB LYS 48 2.057 -8.057 5.278 351 HG2 LYS 48 2HG LYS 48 4.781 -9.292 4.716 352 HG3 LYS 48 1HG LYS 48 4.488 -7.628 5.218 353 HD2 LYS 48 2HD LYS 48 4.003 -8.231 7.394 354 HD3 LYS 48 1HD LYS 48 3.513 -9.864 6.974 355 HE2 LYS 48 2HE LYS 48 6.340 -8.819 6.874 356 HE3 LYS 48 1HE LYS 48 5.661 -9.784 8.186 357 HZ1 LYS 48 3HZ LYS 48 5.200 -11.542 6.448 358 HZ2 LYS 48 1HZ LYS 48 6.846 -11.261 6.725 359 HZ3 LYS 48 2HZ LYS 48 6.094 -10.651 5.359 360 HA PRO 49 HA PRO 49 -1.803 -11.384 4.391 361 HB2 PRO 49 2HB PRO 49 -3.234 -9.998 6.289 362 HB3 PRO 49 1HB PRO 49 -2.485 -11.582 6.576 363 HG2 PRO 49 2HG PRO 49 -1.497 -8.888 7.329 364 HG3 PRO 49 1HG PRO 49 -1.428 -10.415 8.232 365 HD2 PRO 49 2HD PRO 49 0.715 -9.451 6.948 366 HD3 PRO 49 1HD PRO 49 0.395 -11.192 7.074 367 H CYS 50 H CYS 50 -3.064 -10.602 2.902 368 HA CYS 50 HA CYS 50 -3.639 -7.791 2.756 369 HB2 CYS 50 2HB CYS 50 -3.246 -7.882 0.343 370 HB3 CYS 50 1HB CYS 50 -1.798 -8.347 1.235 371 H THR 51 H THR 51 -5.195 -8.439 0.257 372 HA THR 51 HA THR 51 -7.684 -8.816 1.436 373 HB THR 51 HB THR 51 -8.367 -9.313 -0.985 374 HG1 THR 51 1HG THR 51 -5.824 -8.313 -1.625 375 HG21 THR 51 3HG2 THR 51 -8.479 -7.101 0.104 376 HG22 THR 51 1HG2 THR 51 -8.027 -7.007 -1.614 377 HG23 THR 51 2HG2 THR 51 -6.781 -6.868 -0.369 378 H VAL 52 H VAL 52 -6.323 -10.943 -0.903 379 HA VAL 52 HA VAL 52 -8.082 -13.087 -0.017 380 HB VAL 52 HB VAL 52 -7.461 -14.288 -2.042 381 HG11 VAL 52 1HG1 VAL 52 -9.309 -12.713 -2.122 382 HG12 VAL 52 2HG1 VAL 52 -8.426 -12.666 -3.652 383 HG13 VAL 52 3HG1 VAL 52 -8.190 -11.391 -2.456 384 HG21 VAL 52 3HG2 VAL 52 -5.107 -13.446 -2.190 385 HG22 VAL 52 1HG2 VAL 52 -5.757 -11.894 -2.706 386 HG23 VAL 52 2HG2 VAL 52 -5.991 -13.321 -3.712 387 H GLY 53 H GLY 53 -4.849 -12.349 0.644 388 HA2 GLY 53 2HA GLY 53 -4.435 -14.593 2.103 389 HA3 GLY 53 1HA GLY 53 -3.740 -14.883 0.498 390 H PHE 54 H PHE 54 -1.680 -14.391 0.335 391 HA PHE 54 HA PHE 54 -0.697 -12.288 2.119 392 HB2 PHE 54 2HB PHE 54 0.777 -14.746 1.185 393 HB3 PHE 54 1HB PHE 54 1.523 -13.397 2.046 394 HD1 PHE 54 1HD PHE 54 0.821 -12.905 4.380 395 HD2 PHE 54 2HD PHE 54 -0.434 -16.422 2.341 396 HE1 PHE 54 1HE PHE 54 0.216 -13.927 6.530 397 HE2 PHE 54 2HE PHE 54 -1.045 -17.452 4.489 398 HZ PHE 54 HZ PHE 54 -0.720 -16.204 6.588 399 H CYS 55 H CYS 55 0.821 -10.997 1.421 400 HA CYS 55 HA CYS 55 0.763 -10.340 -1.406 401 HB2 CYS 55 2HB CYS 55 0.488 -8.575 0.292 402 HB3 CYS 55 1HB CYS 55 1.995 -9.106 1.036 403 H ASP 56 H ASP 56 2.324 -11.475 -2.666 404 HA ASP 56 HA ASP 56 4.846 -11.822 -1.192 405 HB2 ASP 56 2HB ASP 56 3.601 -13.924 -2.149 406 HB3 ASP 56 1HB ASP 56 4.328 -13.427 -3.679 407 H MET 57 H MET 57 6.768 -12.173 -3.129 408 HA MET 57 HA MET 57 7.455 -9.572 -3.690 409 HB2 MET 57 2HB MET 57 8.836 -11.534 -3.082 410 HB3 MET 57 1HB MET 57 8.504 -12.205 -4.669 411 HG2 MET 57 2HG MET 57 9.485 -10.343 -5.683 412 HG3 MET 57 1HG MET 57 9.759 -9.642 -4.064 413 HE1 MET 57 3HE MET 57 13.435 -10.663 -5.248 414 HE2 MET 57 1HE MET 57 12.408 -9.335 -4.712 415 HE3 MET 57 2HE MET 57 12.135 -10.079 -6.287 416 H ASN 58 H ASN 58 5.440 -11.647 -5.271 417 HA ASN 58 HA ASN 58 5.920 -10.970 -8.007 418 HB2 ASN 58 2HB ASN 58 5.039 -13.143 -7.228 419 HB3 ASN 58 1HB ASN 58 3.632 -12.340 -6.568 420 HD21 ASN 58 1HD2 ASN 58 2.315 -13.645 -7.721 421 HD22 ASN 58 2HD2 ASN 58 2.076 -13.509 -9.429 422 H GLY 59 H GLY 59 4.259 -9.520 -5.313 423 HA2 GLY 59 2HA GLY 59 2.981 -7.499 -5.158 424 HA3 GLY 59 1HA GLY 59 3.264 -7.290 -6.905 425 H LYS 60 H LYS 60 2.033 -10.053 -5.317 426 HA LYS 60 HA LYS 60 -0.775 -9.491 -5.941 427 HB2 LYS 60 2HB LYS 60 0.813 -11.845 -6.806 428 HB3 LYS 60 1HB LYS 60 -0.925 -11.897 -6.635 429 HG2 LYS 60 2HG LYS 60 -0.722 -11.517 -8.934 430 HG3 LYS 60 1HG LYS 60 -0.910 -9.885 -8.295 431 HD2 LYS 60 2HD LYS 60 1.655 -9.844 -8.219 432 HD3 LYS 60 1HD LYS 60 1.575 -11.255 -9.269 433 HE2 LYS 60 2HE LYS 60 1.854 -9.314 -10.634 434 HE3 LYS 60 1HE LYS 60 0.201 -9.900 -10.846 435 HZ1 LYS 60 3HZ LYS 60 0.906 -7.772 -8.924 436 HZ2 LYS 60 1HZ LYS 60 -0.616 -8.210 -9.400 437 HZ3 LYS 60 2HZ LYS 60 0.362 -7.412 -10.493 438 H CYS 61 H CYS 61 -2.015 -11.016 -5.172 439 HA CYS 61 HA CYS 61 -1.142 -11.672 -2.507 440 HB2 CYS 61 2HB CYS 61 -3.464 -10.582 -3.773 441 HB3 CYS 61 1HB CYS 61 -3.764 -11.565 -2.282 442 H GLU 62 H GLU 62 -0.721 -13.672 -2.470 443 HA GLU 62 HA GLU 62 -2.492 -15.624 -3.520 444 HB2 GLU 62 2HB GLU 62 -0.535 -16.663 -4.680 445 HB3 GLU 62 1HB GLU 62 -0.977 -15.009 -5.165 446 HG2 GLU 62 2HG GLU 62 0.878 -14.142 -3.743 447 HG3 GLU 62 1HG GLU 62 1.451 -15.802 -3.589 Start of MODEL 4 1 H PHE 1 1HT PHE 1 4.437 0.702 6.075 2 HA PHE 1 HA PHE 1 4.669 0.075 3.933 3 HB2 PHE 1 2HB PHE 1 2.636 -0.231 2.501 4 HB3 PHE 1 1HB PHE 1 3.060 -1.612 3.529 5 HD1 PHE 1 2HD PHE 1 1.571 -2.107 5.471 6 HD2 PHE 1 1HD PHE 1 0.616 0.906 2.621 7 HE1 PHE 1 2HE PHE 1 -0.765 -2.136 6.234 8 HE2 PHE 1 1HE PHE 1 -1.724 0.878 3.378 9 HZ PHE 1 HZ PHE 1 -2.417 -0.643 5.185 10 H CYS 2 H CYS 2 2.168 2.052 5.243 11 HA CYS 2 HA CYS 2 3.282 4.189 3.629 12 HB2 CYS 2 2HB CYS 2 1.206 3.444 2.571 13 HB3 CYS 2 1HB CYS 2 0.334 3.763 4.068 14 H GLU 3 H GLU 3 1.750 3.145 6.547 15 HA GLU 3 HA GLU 3 0.946 5.345 7.839 16 HB2 GLU 3 2HB GLU 3 1.664 4.054 9.872 17 HB3 GLU 3 1HB GLU 3 0.336 3.352 8.903 18 HG2 GLU 3 2HG GLU 3 3.271 2.533 8.908 19 HG3 GLU 3 1HG GLU 3 2.062 1.797 9.937 20 H ARG 4 H ARG 4 4.145 3.995 8.172 21 HA ARG 4 HA ARG 4 4.791 6.463 9.417 22 HB2 ARG 4 2HB ARG 4 5.374 4.420 10.646 23 HB3 ARG 4 1HB ARG 4 6.507 3.988 9.377 24 HG2 ARG 4 2HG ARG 4 7.584 4.985 11.390 25 HG3 ARG 4 1HG ARG 4 7.910 5.877 9.902 26 HD2 ARG 4 2HD ARG 4 7.353 7.339 11.866 27 HD3 ARG 4 1HD ARG 4 6.298 7.569 10.476 28 HE ARG 4 HE ARG 4 5.432 5.727 12.549 29 HH11 ARG 4 1HH1 ARG 4 5.125 9.024 11.201 30 HH12 ARG 4 2HH1 ARG 4 3.581 9.302 11.784 31 HH21 ARG 4 1HH2 ARG 4 3.227 6.131 13.397 32 HH22 ARG 4 2HH2 ARG 4 2.468 7.618 13.076 33 H GLU 5 H GLU 5 5.501 4.547 6.667 34 HA GLU 5 HA GLU 5 7.764 5.673 5.664 35 HB2 GLU 5 2HB GLU 5 5.437 4.402 4.235 36 HB3 GLU 5 1HB GLU 5 7.051 4.623 3.575 37 HG2 GLU 5 2HG GLU 5 7.158 2.392 4.286 38 HG3 GLU 5 1HG GLU 5 7.773 3.314 5.686 39 H GLN 6 H GLN 6 4.353 6.645 5.021 40 HA GLN 6 HA GLN 6 5.406 9.098 3.737 41 HB2 GLN 6 2HB GLN 6 2.719 7.755 3.497 42 HB3 GLN 6 1HB GLN 6 3.136 9.300 2.779 43 HG2 GLN 6 2HG GLN 6 4.410 6.679 2.188 44 HG3 GLN 6 1HG GLN 6 3.158 7.514 1.213 45 HE21 GLN 6 1HE2 GLN 6 6.543 7.597 2.215 46 HE22 GLN 6 2HE2 GLN 6 7.018 8.748 1.016 47 H GLN 7 H GLN 7 3.797 7.679 6.325 48 HA GLN 7 HA GLN 7 2.916 8.193 8.003 49 HB2 GLN 7 2HB GLN 7 3.659 11.091 7.590 50 HB3 GLN 7 1HB GLN 7 3.180 10.374 9.134 51 HG2 GLN 7 2HG GLN 7 5.033 8.708 8.769 52 HG3 GLN 7 1HG GLN 7 5.581 9.733 7.474 53 HE21 GLN 7 1HE2 GLN 7 7.511 10.155 8.460 54 HE22 GLN 7 2HE2 GLN 7 7.664 11.197 9.836 55 H LEU 8 H LEU 8 1.663 8.321 5.504 56 HA LEU 8 HA LEU 8 -0.935 9.643 5.848 57 HB2 LEU 8 2HB LEU 8 0.220 7.688 3.886 58 HB3 LEU 8 1HB LEU 8 -1.458 8.189 3.915 59 HG LEU 8 HG LEU 8 0.664 10.188 3.768 60 HD11 LEU 8 1HD1 LEU 8 0.442 10.041 1.204 61 HD12 LEU 8 2HD1 LEU 8 -0.516 8.572 1.442 62 HD13 LEU 8 3HD1 LEU 8 1.187 8.595 1.886 63 HD21 LEU 8 3HD2 LEU 8 -2.158 10.050 2.749 64 HD22 LEU 8 1HD2 LEU 8 -1.079 11.424 2.495 65 HD23 LEU 8 2HD2 LEU 8 -1.563 10.970 4.130 66 H GLU 9 H GLU 9 -2.562 8.634 6.214 67 HA GLU 9 HA GLU 9 -2.263 6.413 8.027 68 HB2 GLU 9 2HB GLU 9 -4.183 8.278 8.009 69 HB3 GLU 9 1HB GLU 9 -4.962 7.107 6.947 70 HG2 GLU 9 2HG GLU 9 -3.883 6.256 9.567 71 HG3 GLU 9 1HG GLU 9 -5.495 7.017 9.511 72 H SER 10 H SER 10 -3.035 4.336 7.636 73 HA SER 10 HA SER 10 -2.312 3.522 5.013 74 HB2 SER 10 2HB SER 10 -2.138 1.428 6.085 75 HB3 SER 10 1HB SER 10 -1.525 2.784 7.112 76 HG SER 10 HG SER 10 -3.760 2.701 8.103 77 H CYS 11 H CYS 11 -3.631 1.936 3.834 78 HA CYS 11 HA CYS 11 -6.027 1.068 4.891 79 HB2 CYS 11 2HB CYS 11 -6.731 3.449 3.892 80 HB3 CYS 11 1HB CYS 11 -6.385 2.643 2.360 81 H ALA 12 H ALA 12 -7.063 -0.210 3.070 82 HA ALA 12 HA ALA 12 -4.938 -1.293 1.397 83 HB1 ALA 12 1HB ALA 12 -5.838 -3.548 1.860 84 HB2 ALA 12 2HB ALA 12 -6.945 -2.839 3.040 85 HB3 ALA 12 3HB ALA 12 -5.205 -2.779 3.317 86 H CYS 13 H CYS 13 -5.609 -1.598 -0.665 87 HA CYS 13 HA CYS 13 -8.129 -0.688 -1.449 88 HB2 CYS 13 2HB CYS 13 -5.993 -2.306 -2.888 89 HB3 CYS 13 1HB CYS 13 -7.312 -1.441 -3.638 90 H ASN 14 H ASN 14 -9.946 -1.646 -1.665 91 HA ASN 14 HA ASN 14 -10.655 -3.930 -0.262 92 HB2 ASN 14 2HB ASN 14 -12.149 -2.054 -1.126 93 HB3 ASN 14 1HB ASN 14 -12.129 -2.852 -2.683 94 HD21 ASN 14 1HD2 ASN 14 -12.379 -5.606 -1.395 95 HD22 ASN 14 2HD2 ASN 14 -14.025 -5.641 -0.864 96 H GLU 15 H GLU 15 -9.450 -3.627 -3.484 97 HA GLU 15 HA GLU 15 -10.262 -6.148 -4.233 98 HB2 GLU 15 2HB GLU 15 -9.972 -4.150 -5.778 99 HB3 GLU 15 1HB GLU 15 -8.240 -4.357 -5.545 100 HG2 GLU 15 2HG GLU 15 -9.984 -6.488 -6.745 101 HG3 GLU 15 1HG GLU 15 -9.157 -5.259 -7.699 102 H THR 16 H THR 16 -8.889 -7.999 -4.199 103 HA THR 16 HA THR 16 -7.108 -8.292 -2.103 104 HB THR 16 HB THR 16 -7.568 -9.976 -4.548 105 HG1 THR 16 1HG THR 16 -8.940 -9.498 -2.295 106 HG21 THR 16 3HG2 THR 16 -6.154 -10.724 -1.957 107 HG22 THR 16 1HG2 THR 16 -5.386 -10.463 -3.529 108 HG23 THR 16 2HG2 THR 16 -6.508 -11.814 -3.298 109 H ASP 17 H ASP 17 -6.368 -8.061 -5.588 110 HA ASP 17 HA ASP 17 -3.657 -8.589 -5.091 111 HB2 ASP 17 2HB ASP 17 -4.682 -9.110 -7.227 112 HB3 ASP 17 1HB ASP 17 -4.997 -7.369 -7.421 113 H ASN 18 H ASN 18 -5.606 -5.697 -5.579 114 HA ASN 18 HA ASN 18 -3.514 -3.894 -5.863 115 HB2 ASN 18 2HB ASN 18 -6.398 -3.615 -5.279 116 HB3 ASN 18 1HB ASN 18 -5.358 -2.235 -5.008 117 HD21 ASN 18 1HD2 ASN 18 -6.431 -4.550 -7.470 118 HD22 ASN 18 2HD2 ASN 18 -6.064 -3.534 -8.812 119 H SER 19 H SER 19 -4.549 -5.478 -3.212 120 HA SER 19 HA SER 19 -3.614 -3.416 -1.431 121 HB2 SER 19 2HB SER 19 -3.853 -5.014 0.483 122 HB3 SER 19 1HB SER 19 -5.309 -4.829 -0.492 123 HG SER 19 HG SER 19 -4.234 -6.854 -1.597 124 H CYS 20 H CYS 20 -2.002 -5.517 -3.359 125 HA CYS 20 HA CYS 20 0.420 -5.509 -1.759 126 HB2 CYS 20 2HB CYS 20 -0.354 -6.697 -4.362 127 HB3 CYS 20 1HB CYS 20 1.354 -6.486 -3.989 128 H LYS 21 H LYS 21 -1.145 -3.343 -3.525 129 HA LYS 21 HA LYS 21 1.278 -1.789 -3.908 130 HB2 LYS 21 2HB LYS 21 -1.431 -1.868 -5.285 131 HB3 LYS 21 1HB LYS 21 -0.418 -0.435 -5.293 132 HG2 LYS 21 2HG LYS 21 -0.221 -1.656 -7.374 133 HG3 LYS 21 1HG LYS 21 1.305 -1.616 -6.477 134 HD2 LYS 21 2HD LYS 21 1.117 -3.796 -7.478 135 HD3 LYS 21 1HD LYS 21 0.809 -3.990 -5.760 136 HE2 LYS 21 2HE LYS 21 -1.558 -4.164 -6.163 137 HE3 LYS 21 1HE LYS 21 -1.344 -3.798 -7.878 138 HZ1 LYS 21 3HZ LYS 21 -0.525 -6.349 -6.473 139 HZ2 LYS 21 1HZ LYS 21 -0.025 -5.957 -8.033 140 HZ3 LYS 21 2HZ LYS 21 -1.611 -6.132 -7.679 141 H VAL 22 H VAL 22 1.455 -0.062 -3.118 142 HA VAL 22 HA VAL 22 0.408 -0.215 -0.532 143 HB VAL 22 HB VAL 22 2.280 1.708 -1.840 144 HG11 VAL 22 1HG1 VAL 22 1.392 1.471 1.026 145 HG12 VAL 22 2HG1 VAL 22 1.144 2.809 -0.114 146 HG13 VAL 22 3HG1 VAL 22 2.789 2.437 0.460 147 HG21 VAL 22 3HG2 VAL 22 2.589 -0.659 0.010 148 HG22 VAL 22 1HG2 VAL 22 3.943 0.336 -0.516 149 HG23 VAL 22 2HG2 VAL 22 3.001 -0.644 -1.678 150 H CYS 23 H CYS 23 -1.430 0.257 -0.344 151 HA CYS 23 HA CYS 23 -2.539 2.734 -1.436 152 HB2 CYS 23 2HB CYS 23 -4.087 1.116 0.512 153 HB3 CYS 23 1HB CYS 23 -4.567 2.101 -0.886 154 H CYS 24 H CYS 24 -3.150 4.491 -0.212 155 HA CYS 24 HA CYS 24 -2.475 4.490 2.635 156 HB2 CYS 24 2HB CYS 24 -2.050 6.694 0.592 157 HB3 CYS 24 1HB CYS 24 -1.697 6.820 2.305 158 H ARG 25 H ARG 25 -3.702 6.756 3.449 159 HA ARG 25 HA ARG 25 -6.270 6.662 2.091 160 HB2 ARG 25 2HB ARG 25 -5.900 5.731 4.523 161 HB3 ARG 25 1HB ARG 25 -5.936 7.448 4.919 162 HG2 ARG 25 2HG ARG 25 -8.073 7.542 3.516 163 HG3 ARG 25 1HG ARG 25 -8.001 5.774 3.642 164 HD2 ARG 25 2HD ARG 25 -7.994 7.663 5.899 165 HD3 ARG 25 1HD ARG 25 -9.441 6.859 5.285 166 HE ARG 25 HE ARG 25 -7.310 5.633 6.890 167 HH11 ARG 25 1HH1 ARG 25 -10.115 4.979 4.815 168 HH12 ARG 25 2HH1 ARG 25 -10.266 3.369 5.347 169 HH21 ARG 25 1HH2 ARG 25 -7.486 3.667 7.579 170 HH22 ARG 25 2HH2 ARG 25 -8.673 2.524 7.073 171 H ASP 26 H ASP 26 -7.340 8.633 2.090 172 HA ASP 26 HA ASP 26 -5.498 10.867 2.214 173 HB2 ASP 26 2HB ASP 26 -6.203 11.568 0.113 174 HB3 ASP 26 1HB ASP 26 -6.376 9.808 0.013 175 H LEU 27 H LEU 27 -7.031 12.754 1.907 176 HA LEU 27 HA LEU 27 -7.985 13.341 4.400 177 HB2 LEU 27 2HB LEU 27 -8.763 14.928 1.982 178 HB3 LEU 27 1HB LEU 27 -8.555 15.511 3.619 179 HG LEU 27 HG LEU 27 -6.059 14.655 3.126 180 HD11 LEU 27 1HD1 LEU 27 -5.375 15.173 0.861 181 HD12 LEU 27 2HD1 LEU 27 -7.037 15.559 0.437 182 HD13 LEU 27 3HD1 LEU 27 -6.611 13.907 0.838 183 HD21 LEU 27 3HD2 LEU 27 -7.199 17.322 2.281 184 HD22 LEU 27 1HD2 LEU 27 -5.494 16.989 2.585 185 HD23 LEU 27 2HD2 LEU 27 -6.661 16.887 3.903 186 H SER 28 H SER 28 -9.634 12.103 1.628 187 HA SER 28 HA SER 28 -12.211 12.899 2.501 188 HB2 SER 28 2HB SER 28 -11.679 12.923 0.106 189 HB3 SER 28 1HB SER 28 -11.329 11.201 0.150 190 HG SER 28 HG SER 28 -13.674 11.278 1.079 191 H GLY 29 H GLY 29 -10.068 10.606 3.382 192 HA2 GLY 29 2HA GLY 29 -10.183 8.985 4.693 193 HA3 GLY 29 1HA GLY 29 -11.968 8.979 4.708 194 H ARG 30 H ARG 30 -10.844 8.980 1.619 195 HA ARG 30 HA ARG 30 -11.642 6.376 0.989 196 HB2 ARG 30 2HB ARG 30 -12.289 8.112 -0.335 197 HB3 ARG 30 1HB ARG 30 -10.746 8.911 -0.221 198 HG2 ARG 30 2HG ARG 30 -9.832 7.153 -1.711 199 HG3 ARG 30 1HG ARG 30 -11.502 6.580 -1.926 200 HD2 ARG 30 2HD ARG 30 -10.999 8.239 -3.675 201 HD3 ARG 30 1HD ARG 30 -12.189 8.774 -2.450 202 HE ARG 30 HE ARG 30 -9.791 9.679 -1.520 203 HH11 ARG 30 1HH1 ARG 30 -11.640 10.255 -4.463 204 HH12 ARG 30 2HH1 ARG 30 -11.293 11.927 -4.546 205 HH21 ARG 30 1HH2 ARG 30 -9.354 11.928 -1.548 206 HH22 ARG 30 2HH2 ARG 30 -9.905 12.928 -2.805 207 H CYS 31 H CYS 31 -10.314 4.799 0.181 208 HA CYS 31 HA CYS 31 -7.536 4.900 0.970 209 HB2 CYS 31 2HB CYS 31 -9.162 2.637 -0.176 210 HB3 CYS 31 1HB CYS 31 -7.640 2.506 0.709 211 H VAL 32 H VAL 32 -5.917 5.117 -0.496 212 HA VAL 32 HA VAL 32 -6.630 4.979 -3.214 213 HB VAL 32 HB VAL 32 -5.037 7.044 -3.517 214 HG11 VAL 32 1HG1 VAL 32 -7.318 6.958 -4.151 215 HG12 VAL 32 2HG1 VAL 32 -6.979 8.530 -3.395 216 HG13 VAL 32 3HG1 VAL 32 -7.865 7.279 -2.501 217 HG21 VAL 32 3HG2 VAL 32 -4.427 7.063 -1.102 218 HG22 VAL 32 1HG2 VAL 32 -6.071 7.532 -0.706 219 HG23 VAL 32 2HG2 VAL 32 -5.069 8.628 -1.651 220 HA PRO 33 HA PRO 33 -2.668 2.919 -3.505 221 HB2 PRO 33 2HB PRO 33 -2.152 3.446 -6.157 222 HB3 PRO 33 1HB PRO 33 -3.290 2.186 -5.639 223 HG2 PRO 33 2HG PRO 33 -3.870 4.933 -6.610 224 HG3 PRO 33 1HG PRO 33 -4.729 3.413 -6.934 225 HD2 PRO 33 2HD PRO 33 -5.661 5.219 -5.127 226 HD3 PRO 33 1HD PRO 33 -5.878 3.469 -4.945 227 H TYR 34 H TYR 34 -0.734 3.783 -2.780 228 HA TYR 34 HA TYR 34 -0.385 6.551 -2.962 229 HB2 TYR 34 2HB TYR 34 0.562 6.022 -1.083 230 HB3 TYR 34 1HB TYR 34 0.977 4.371 -1.554 231 HD1 TYR 34 1HD TYR 34 2.159 8.015 -2.217 232 HD2 TYR 34 2HD TYR 34 3.267 3.868 -1.659 233 HE1 TYR 34 1HE TYR 34 4.376 8.569 -2.397 234 HE2 TYR 34 2HE TYR 34 5.524 4.493 -1.833 235 HH TYR 34 HH TYR 34 6.494 7.928 -2.089 236 H VAL 35 H VAL 35 0.461 7.823 -4.242 237 HA VAL 35 HA VAL 35 2.852 7.261 -5.642 238 HB VAL 35 HB VAL 35 1.151 9.183 -6.896 239 HG11 VAL 35 1HG1 VAL 35 2.643 6.933 -8.089 240 HG12 VAL 35 2HG1 VAL 35 3.166 8.582 -7.733 241 HG13 VAL 35 3HG1 VAL 35 1.925 8.308 -8.959 242 HG21 VAL 35 3HG2 VAL 35 -0.448 7.784 -8.120 243 HG22 VAL 35 1HG2 VAL 35 -0.662 7.622 -6.373 244 HG23 VAL 35 2HG2 VAL 35 0.159 6.345 -7.280 245 H ASP 36 H ASP 36 3.988 9.095 -5.108 246 HA ASP 36 HA ASP 36 2.517 11.339 -3.853 247 HB2 ASP 36 2HB ASP 36 4.674 11.990 -3.010 248 HB3 ASP 36 1HB ASP 36 4.263 10.334 -2.551 249 H ALA 37 H ALA 37 4.118 13.166 -4.191 250 HA ALA 37 HA ALA 37 2.328 13.809 -6.130 251 HB1 ALA 37 1HB ALA 37 2.838 16.105 -5.511 252 HB2 ALA 37 2HB ALA 37 4.305 15.457 -4.703 253 HB3 ALA 37 3HB ALA 37 2.700 14.909 -4.174 254 H GLU 38 H GLU 38 5.628 13.089 -5.941 255 HA GLU 38 HA GLU 38 6.420 14.206 -8.303 256 HB2 GLU 38 2HB GLU 38 7.493 12.337 -6.378 257 HB3 GLU 38 1HB GLU 38 8.533 12.998 -7.675 258 HG2 GLU 38 2HG GLU 38 9.033 14.666 -6.153 259 HG3 GLU 38 1HG GLU 38 7.343 15.155 -6.379 260 H GLN 39 H GLN 39 4.346 11.615 -7.640 261 HA GLN 39 HA GLN 39 3.546 10.063 -8.683 262 HB2 GLN 39 2HB GLN 39 5.371 11.186 -10.571 263 HB3 GLN 39 1HB GLN 39 4.428 9.754 -11.123 264 HG2 GLN 39 2HG GLN 39 3.422 12.360 -10.020 265 HG3 GLN 39 1HG GLN 39 3.449 12.007 -11.764 266 HE21 GLN 39 1HE2 GLN 39 1.975 10.422 -12.521 267 HE22 GLN 39 2HE2 GLN 39 0.563 10.009 -11.594 268 H LYS 40 H LYS 40 5.876 9.604 -6.890 269 HA LYS 40 HA LYS 40 7.270 7.411 -8.081 270 HB2 LYS 40 2HB LYS 40 6.910 8.200 -5.252 271 HB3 LYS 40 1HB LYS 40 8.053 6.969 -5.858 272 HG2 LYS 40 2HG LYS 40 9.114 8.784 -7.115 273 HG3 LYS 40 1HG LYS 40 8.029 9.926 -6.279 274 HD2 LYS 40 2HD LYS 40 9.024 8.551 -4.165 275 HD3 LYS 40 1HD LYS 40 10.412 8.480 -5.252 276 HE2 LYS 40 2HE LYS 40 10.624 10.412 -3.834 277 HE3 LYS 40 1HE LYS 40 10.282 10.950 -5.480 278 HZ1 LYS 40 3HZ LYS 40 8.846 12.179 -3.900 279 HZ2 LYS 40 1HZ LYS 40 8.248 10.716 -3.310 280 HZ3 LYS 40 2HZ LYS 40 7.913 11.132 -4.822 281 H ASN 41 H ASN 41 6.810 5.398 -7.798 282 HA ASN 41 HA ASN 41 4.171 4.815 -6.692 283 HB2 ASN 41 2HB ASN 41 5.663 3.848 -9.027 284 HB3 ASN 41 1HB ASN 41 4.422 2.788 -8.308 285 HD21 ASN 41 1HD2 ASN 41 5.025 5.816 -10.047 286 HD22 ASN 41 2HD2 ASN 41 3.381 6.067 -10.489 287 H LEU 42 H LEU 42 3.973 2.975 -5.478 288 HA LEU 42 HA LEU 42 6.424 1.586 -4.832 289 HB2 LEU 42 2HB LEU 42 6.462 3.153 -3.134 290 HB3 LEU 42 1HB LEU 42 4.716 3.148 -2.988 291 HG LEU 42 HG LEU 42 4.723 1.180 -1.958 292 HD11 LEU 42 1HD1 LEU 42 6.872 0.053 -1.061 293 HD12 LEU 42 2HD1 LEU 42 7.794 1.215 -2.019 294 HD13 LEU 42 3HD1 LEU 42 6.761 0.028 -2.821 295 HD21 LEU 42 3HD2 LEU 42 5.854 1.714 0.231 296 HD22 LEU 42 1HD2 LEU 42 4.762 2.894 -0.478 297 HD23 LEU 42 2HD2 LEU 42 6.522 3.134 -0.588 298 H PHE 43 H PHE 43 6.228 -0.386 -5.078 299 HA PHE 43 HA PHE 43 3.764 -1.743 -5.099 300 HB2 PHE 43 2HB PHE 43 5.520 -1.638 -6.921 301 HB3 PHE 43 1HB PHE 43 6.562 -2.549 -5.858 302 HD1 PHE 43 2HD PHE 43 3.513 -2.635 -7.886 303 HD2 PHE 43 1HD PHE 43 6.348 -4.916 -5.696 304 HE1 PHE 43 2HE PHE 43 2.665 -4.683 -8.941 305 HE2 PHE 43 1HE PHE 43 5.515 -6.969 -6.754 306 HZ PHE 43 HZ PHE 43 3.668 -6.850 -8.387 307 H LEU 44 H LEU 44 3.373 -3.199 -3.227 308 HA LEU 44 HA LEU 44 4.890 -2.852 -1.108 309 HB2 LEU 44 2HB LEU 44 2.413 -3.683 -1.268 310 HB3 LEU 44 1HB LEU 44 3.242 -5.238 -1.408 311 HG LEU 44 HG LEU 44 3.997 -5.262 0.780 312 HD11 LEU 44 1HD1 LEU 44 4.706 -2.926 0.976 313 HD12 LEU 44 2HD1 LEU 44 3.708 -3.416 2.341 314 HD13 LEU 44 3HD1 LEU 44 3.017 -2.423 1.059 315 HD21 LEU 44 3HD2 LEU 44 1.190 -4.165 0.737 316 HD22 LEU 44 1HD2 LEU 44 1.913 -5.075 2.063 317 HD23 LEU 44 2HD2 LEU 44 1.656 -5.847 0.499 318 H ARG 45 H ARG 45 5.649 -5.013 0.163 319 HA ARG 45 HA ARG 45 7.332 -6.516 -1.612 320 HB2 ARG 45 2HB ARG 45 7.835 -4.741 0.320 321 HB3 ARG 45 1HB ARG 45 8.250 -6.286 1.059 322 HG2 ARG 45 2HG ARG 45 10.316 -5.433 0.035 323 HG3 ARG 45 1HG ARG 45 9.757 -6.847 -0.842 324 HD2 ARG 45 2HD ARG 45 9.404 -3.959 -1.716 325 HD3 ARG 45 1HD ARG 45 10.594 -5.083 -2.361 326 HE ARG 45 HE ARG 45 7.686 -5.163 -2.766 327 HH11 ARG 45 1HH1 ARG 45 10.891 -6.253 -3.837 328 HH12 ARG 45 2HH1 ARG 45 10.290 -7.105 -5.179 329 HH21 ARG 45 1HH2 ARG 45 6.880 -6.311 -4.502 330 HH22 ARG 45 2HH2 ARG 45 7.859 -7.176 -5.582 331 H LYS 46 H LYS 46 8.357 -8.366 -0.219 332 HA LYS 46 HA LYS 46 6.285 -10.309 0.023 333 HB2 LYS 46 2HB LYS 46 8.467 -10.679 -1.063 334 HB3 LYS 46 1HB LYS 46 9.254 -10.530 0.491 335 HG2 LYS 46 2HG LYS 46 8.030 -12.559 1.249 336 HG3 LYS 46 1HG LYS 46 7.370 -12.724 -0.383 337 HD2 LYS 46 2HD LYS 46 9.680 -12.814 -1.276 338 HD3 LYS 46 1HD LYS 46 10.299 -12.736 0.369 339 HE2 LYS 46 2HE LYS 46 10.366 -15.022 -0.329 340 HE3 LYS 46 1HE LYS 46 9.064 -14.865 0.845 341 HZ1 LYS 46 3HZ LYS 46 8.623 -14.835 -2.099 342 HZ2 LYS 46 1HZ LYS 46 7.454 -14.895 -0.945 343 HZ3 LYS 46 2HZ LYS 46 8.427 -16.220 -1.156 344 H GLY 47 H GLY 47 5.160 -10.697 1.681 345 HA2 GLY 47 2HA GLY 47 4.737 -11.590 3.730 346 HA3 GLY 47 1HA GLY 47 6.406 -11.255 4.249 347 H LYS 48 H LYS 48 4.484 -8.804 2.726 348 HA LYS 48 HA LYS 48 4.094 -7.644 5.346 349 HB2 LYS 48 2HB LYS 48 4.477 -6.644 2.668 350 HB3 LYS 48 1HB LYS 48 3.221 -5.754 3.537 351 HG2 LYS 48 2HG LYS 48 4.959 -4.463 4.260 352 HG3 LYS 48 1HG LYS 48 5.232 -5.772 5.390 353 HD2 LYS 48 2HD LYS 48 6.622 -5.432 2.721 354 HD3 LYS 48 1HD LYS 48 7.295 -4.972 4.275 355 HE2 LYS 48 2HE LYS 48 6.597 -7.762 3.370 356 HE3 LYS 48 1HE LYS 48 8.214 -7.079 3.472 357 HZ1 LYS 48 3HZ LYS 48 6.386 -7.757 5.724 358 HZ2 LYS 48 1HZ LYS 48 7.847 -6.891 5.933 359 HZ3 LYS 48 2HZ LYS 48 7.835 -8.461 5.309 360 HA PRO 49 HA PRO 49 -0.121 -8.943 5.258 361 HB2 PRO 49 2HB PRO 49 -0.843 -6.452 6.666 362 HB3 PRO 49 1HB PRO 49 -0.992 -8.132 7.220 363 HG2 PRO 49 2HG PRO 49 0.816 -6.515 8.274 364 HG3 PRO 49 1HG PRO 49 1.154 -8.238 7.992 365 HD2 PRO 49 2HD PRO 49 2.038 -5.872 6.401 366 HD3 PRO 49 1HD PRO 49 2.930 -7.336 6.870 367 H CYS 50 H CYS 50 -1.822 -8.732 3.952 368 HA CYS 50 HA CYS 50 -2.515 -6.181 2.873 369 HB2 CYS 50 2HB CYS 50 -2.589 -7.085 0.613 370 HB3 CYS 50 1HB CYS 50 -0.996 -7.366 1.318 371 H THR 51 H THR 51 -4.581 -7.435 1.190 372 HA THR 51 HA THR 51 -6.735 -7.504 2.931 373 HB THR 51 HB THR 51 -7.841 -8.772 0.969 374 HG1 THR 51 1HG THR 51 -5.563 -7.909 -0.453 375 HG21 THR 51 3HG2 THR 51 -6.489 -6.145 0.583 376 HG22 THR 51 1HG2 THR 51 -8.068 -6.374 1.350 377 HG23 THR 51 2HG2 THR 51 -7.849 -6.742 -0.382 378 H VAL 52 H VAL 52 -5.684 -10.189 1.083 379 HA VAL 52 HA VAL 52 -7.133 -12.046 2.767 380 HB VAL 52 HB VAL 52 -6.643 -13.759 1.096 381 HG11 VAL 52 1HG1 VAL 52 -7.609 -11.125 -0.007 382 HG12 VAL 52 2HG1 VAL 52 -8.595 -12.350 0.797 383 HG13 VAL 52 3HG1 VAL 52 -7.865 -12.689 -0.776 384 HG21 VAL 52 3HG2 VAL 52 -4.390 -12.933 0.441 385 HG22 VAL 52 1HG2 VAL 52 -5.157 -11.587 -0.393 386 HG23 VAL 52 2HG2 VAL 52 -5.430 -13.228 -0.955 387 H GLY 53 H GLY 53 -4.081 -10.926 3.185 388 HA2 GLY 53 2HA GLY 53 -3.282 -12.453 5.113 389 HA3 GLY 53 1HA GLY 53 -2.857 -13.477 3.733 390 H PHE 54 H PHE 54 -0.857 -13.208 2.961 391 HA PHE 54 HA PHE 54 0.398 -10.631 3.505 392 HB2 PHE 54 2HB PHE 54 1.720 -13.355 3.372 393 HB3 PHE 54 1HB PHE 54 2.607 -11.837 3.443 394 HD1 PHE 54 2HD PHE 54 2.434 -10.409 5.456 395 HD2 PHE 54 1HD PHE 54 0.794 -14.334 5.325 396 HE1 PHE 54 2HE PHE 54 2.332 -10.441 7.911 397 HE2 PHE 54 1HE PHE 54 0.687 -14.372 7.784 398 HZ PHE 54 HZ PHE 54 1.459 -12.425 9.079 399 H CYS 55 H CYS 55 1.769 -9.869 2.036 400 HA CYS 55 HA CYS 55 1.054 -10.456 -0.730 401 HB2 CYS 55 2HB CYS 55 0.994 -8.153 0.241 402 HB3 CYS 55 1HB CYS 55 2.742 -8.320 0.478 403 H ASP 56 H ASP 56 2.603 -11.318 -2.125 404 HA ASP 56 HA ASP 56 5.195 -11.839 -0.853 405 HB2 ASP 56 2HB ASP 56 3.794 -13.681 -2.110 406 HB3 ASP 56 1HB ASP 56 4.490 -12.951 -3.559 407 H MET 57 H MET 57 6.993 -11.928 -2.987 408 HA MET 57 HA MET 57 7.449 -9.208 -3.397 409 HB2 MET 57 2HB MET 57 9.196 -10.829 -2.885 410 HB3 MET 57 1HB MET 57 8.753 -11.768 -4.301 411 HG2 MET 57 2HG MET 57 9.352 -10.125 -5.690 412 HG3 MET 57 1HG MET 57 9.625 -8.972 -4.365 413 HE1 MET 57 3HE MET 57 10.684 -12.795 -4.674 414 HE2 MET 57 1HE MET 57 12.330 -12.641 -5.287 415 HE3 MET 57 2HE MET 57 10.966 -12.134 -6.285 416 H ASN 58 H ASN 58 5.807 -11.699 -4.933 417 HA ASN 58 HA ASN 58 5.894 -11.005 -7.667 418 HB2 ASN 58 2HB ASN 58 5.087 -13.176 -6.906 419 HB3 ASN 58 1HB ASN 58 3.793 -12.419 -6.002 420 HD21 ASN 58 1HD2 ASN 58 4.662 -11.464 -9.311 421 HD22 ASN 58 2HD2 ASN 58 3.213 -12.072 -10.012 422 H GLY 59 H GLY 59 4.139 -9.731 -4.914 423 HA2 GLY 59 2HA GLY 59 3.003 -7.678 -4.826 424 HA3 GLY 59 1HA GLY 59 3.046 -7.622 -6.586 425 H LYS 60 H LYS 60 2.079 -10.363 -4.807 426 HA LYS 60 HA LYS 60 -0.848 -9.968 -5.092 427 HB2 LYS 60 2HB LYS 60 0.336 -11.435 -7.029 428 HB3 LYS 60 1HB LYS 60 0.551 -12.469 -5.603 429 HG2 LYS 60 2HG LYS 60 -1.842 -12.596 -5.262 430 HG3 LYS 60 1HG LYS 60 -2.114 -11.579 -6.677 431 HD2 LYS 60 2HD LYS 60 -2.458 -13.897 -7.284 432 HD3 LYS 60 1HD LYS 60 -1.001 -13.302 -8.078 433 HE2 LYS 60 2HE LYS 60 -0.605 -15.532 -7.197 434 HE3 LYS 60 1HE LYS 60 0.371 -14.375 -6.305 435 HZ1 LYS 60 3HZ LYS 60 -2.076 -15.804 -5.319 436 HZ2 LYS 60 1HZ LYS 60 -1.499 -14.442 -4.558 437 HZ3 LYS 60 2HZ LYS 60 -0.576 -15.754 -4.649 438 H CYS 61 H CYS 61 -1.832 -11.158 -3.866 439 HA CYS 61 HA CYS 61 -0.532 -11.657 -1.312 440 HB2 CYS 61 2HB CYS 61 -3.119 -11.066 -2.439 441 HB3 CYS 61 1HB CYS 61 -3.093 -11.662 -0.731 442 H GLU 62 H GLU 62 -0.781 -13.716 -0.342 443 HA GLU 62 HA GLU 62 -0.396 -15.892 -0.513 444 HB2 GLU 62 2HB GLU 62 -3.224 -15.362 -0.972 445 HB3 GLU 62 1HB GLU 62 -2.697 -16.991 -0.434 446 HG2 GLU 62 2HG GLU 62 -2.766 -14.311 0.984 447 HG3 GLU 62 1HG GLU 62 -3.590 -15.791 1.452 Start of MODEL 5 1 H PHE 1 1HT PHE 1 7.588 5.826 3.770 2 HA PHE 1 HA PHE 1 5.646 4.972 1.775 3 HB2 PHE 1 2HB PHE 1 5.911 3.820 4.584 4 HB3 PHE 1 1HB PHE 1 4.611 3.516 3.424 5 HD1 PHE 1 1HD PHE 1 8.181 2.920 4.086 6 HD2 PHE 1 2HD PHE 1 4.759 2.085 1.807 7 HE1 PHE 1 1HE PHE 1 9.358 0.967 3.147 8 HE2 PHE 1 2HE PHE 1 5.920 0.057 0.808 9 HZ PHE 1 HZ PHE 1 8.216 -0.467 1.498 10 H CYS 2 H CYS 2 3.437 4.891 3.185 11 HA CYS 2 HA CYS 2 2.483 7.419 3.025 12 HB2 CYS 2 2HB CYS 2 1.492 5.316 4.938 13 HB3 CYS 2 1HB CYS 2 0.573 6.711 4.381 14 H GLU 3 H GLU 3 3.675 6.012 6.073 15 HA GLU 3 HA GLU 3 3.008 8.101 7.786 16 HB2 GLU 3 2HB GLU 3 3.788 5.816 8.465 17 HB3 GLU 3 1HB GLU 3 5.407 6.245 7.974 18 HG2 GLU 3 2HG GLU 3 3.876 7.561 10.235 19 HG3 GLU 3 1HG GLU 3 5.046 6.269 10.437 20 H ARG 4 H ARG 4 6.268 7.461 6.555 21 HA ARG 4 HA ARG 4 7.201 9.877 7.485 22 HB2 ARG 4 2HB ARG 4 8.489 7.726 7.142 23 HB3 ARG 4 1HB ARG 4 8.615 8.180 5.449 24 HG2 ARG 4 2HG ARG 4 10.611 8.950 6.335 25 HG3 ARG 4 1HG ARG 4 9.583 10.383 6.335 26 HD2 ARG 4 2HD ARG 4 10.339 8.642 8.693 27 HD3 ARG 4 1HD ARG 4 10.706 10.344 8.454 28 HE ARG 4 HE ARG 4 8.158 9.155 9.270 29 HH11 ARG 4 1HH1 ARG 4 9.954 12.145 8.593 30 HH12 ARG 4 2HH1 ARG 4 8.800 13.145 9.372 31 HH21 ARG 4 1HH2 ARG 4 6.683 10.468 10.281 32 HH22 ARG 4 2HH2 ARG 4 6.816 12.164 10.337 33 H GLU 5 H GLU 5 5.617 9.127 4.566 34 HA GLU 5 HA GLU 5 6.913 11.330 3.161 35 HB2 GLU 5 2HB GLU 5 5.105 9.199 2.044 36 HB3 GLU 5 1HB GLU 5 5.988 10.395 1.095 37 HG2 GLU 5 2HG GLU 5 8.138 9.342 2.129 38 HG3 GLU 5 1HG GLU 5 7.021 8.079 2.675 39 H GLN 6 H GLN 6 3.634 10.382 4.306 40 HA GLN 6 HA GLN 6 2.634 12.955 3.199 41 HB2 GLN 6 2HB GLN 6 1.101 10.388 3.563 42 HB3 GLN 6 1HB GLN 6 0.492 11.883 2.883 43 HG2 GLN 6 2HG GLN 6 2.623 10.150 1.712 44 HG3 GLN 6 1HG GLN 6 0.903 10.190 1.247 45 HE21 GLN 6 1HE2 GLN 6 3.362 10.791 -0.313 46 HE22 GLN 6 2HE2 GLN 6 3.182 12.361 -0.938 47 H GLN 7 H GLN 7 3.382 11.218 5.876 48 HA GLN 7 HA GLN 7 2.827 10.918 7.807 49 HB2 GLN 7 2HB GLN 7 1.587 13.664 7.611 50 HB3 GLN 7 1HB GLN 7 1.731 12.824 9.150 51 HG2 GLN 7 2HG GLN 7 4.073 13.238 7.366 52 HG3 GLN 7 1HG GLN 7 3.577 14.506 8.493 53 HE21 GLN 7 1HE2 GLN 7 3.351 11.079 9.303 54 HE22 GLN 7 2HE2 GLN 7 4.646 10.994 10.388 55 H LEU 8 H LEU 8 1.044 10.025 5.842 56 HA LEU 8 HA LEU 8 -1.569 9.596 7.173 57 HB2 LEU 8 2HB LEU 8 -0.482 8.701 4.517 58 HB3 LEU 8 1HB LEU 8 -2.094 8.386 5.132 59 HG LEU 8 HG LEU 8 -0.960 11.029 4.745 60 HD11 LEU 8 1HD1 LEU 8 -2.419 11.089 2.600 61 HD12 LEU 8 2HD1 LEU 8 -2.650 9.348 2.829 62 HD13 LEU 8 3HD1 LEU 8 -1.039 9.999 2.520 63 HD21 LEU 8 3HD2 LEU 8 -3.796 10.122 5.140 64 HD22 LEU 8 1HD2 LEU 8 -3.361 11.777 4.708 65 HD23 LEU 8 2HD2 LEU 8 -2.804 11.088 6.230 66 H GLU 9 H GLU 9 -2.194 7.488 7.044 67 HA GLU 9 HA GLU 9 0.053 5.737 7.721 68 HB2 GLU 9 2HB GLU 9 -1.253 4.427 9.202 69 HB3 GLU 9 1HB GLU 9 -1.713 6.079 9.575 70 HG2 GLU 9 2HG GLU 9 -3.155 4.333 7.711 71 HG3 GLU 9 1HG GLU 9 -3.543 4.338 9.431 72 H SER 10 H SER 10 -0.440 3.385 7.160 73 HA SER 10 HA SER 10 -1.132 3.420 4.433 74 HB2 SER 10 2HB SER 10 0.029 1.347 4.512 75 HB3 SER 10 1HB SER 10 0.837 2.728 5.371 76 HG SER 10 HG SER 10 -0.748 1.119 6.940 77 H CYS 11 H CYS 11 -2.538 1.969 3.643 78 HA CYS 11 HA CYS 11 -4.251 0.450 5.408 79 HB2 CYS 11 2HB CYS 11 -5.501 2.702 5.092 80 HB3 CYS 11 1HB CYS 11 -5.442 2.392 3.360 81 H ALA 12 H ALA 12 -5.959 -0.554 3.494 82 HA ALA 12 HA ALA 12 -4.080 -1.615 1.516 83 HB1 ALA 12 1HB ALA 12 -5.138 -3.802 1.767 84 HB2 ALA 12 2HB ALA 12 -6.194 -3.148 3.020 85 HB3 ALA 12 3HB ALA 12 -4.458 -3.252 3.302 86 H CYS 13 H CYS 13 -4.806 -1.507 -0.514 87 HA CYS 13 HA CYS 13 -7.378 -0.458 -1.101 88 HB2 CYS 13 2HB CYS 13 -5.258 -1.762 -2.847 89 HB3 CYS 13 1HB CYS 13 -6.681 -0.938 -3.436 90 H ASN 14 H ASN 14 -9.196 -1.420 -1.461 91 HA ASN 14 HA ASN 14 -9.828 -3.943 -0.494 92 HB2 ASN 14 2HB ASN 14 -11.428 -2.069 -0.896 93 HB3 ASN 14 1HB ASN 14 -11.302 -2.399 -2.620 94 HD21 ASN 14 1HD2 ASN 14 -12.443 -4.169 -3.486 95 HD22 ASN 14 2HD2 ASN 14 -13.580 -5.060 -2.533 96 H GLU 15 H GLU 15 -8.593 -3.099 -3.552 97 HA GLU 15 HA GLU 15 -9.460 -5.354 -4.862 98 HB2 GLU 15 2HB GLU 15 -8.966 -3.124 -5.928 99 HB3 GLU 15 1HB GLU 15 -7.265 -3.441 -5.632 100 HG2 GLU 15 2HG GLU 15 -8.948 -5.211 -7.374 101 HG3 GLU 15 1HG GLU 15 -8.079 -3.804 -7.983 102 H THR 16 H THR 16 -8.136 -7.242 -5.296 103 HA THR 16 HA THR 16 -6.553 -8.269 -3.264 104 HB THR 16 HB THR 16 -6.819 -9.104 -6.141 105 HG1 THR 16 1HG THR 16 -8.673 -9.740 -5.439 106 HG21 THR 16 3HG2 THR 16 -5.789 -10.782 -3.811 107 HG22 THR 16 1HG2 THR 16 -4.766 -9.987 -5.032 108 HG23 THR 16 2HG2 THR 16 -5.914 -11.248 -5.506 109 H ASP 17 H ASP 17 -5.460 -7.164 -6.474 110 HA ASP 17 HA ASP 17 -2.815 -7.902 -5.972 111 HB2 ASP 17 2HB ASP 17 -3.703 -7.642 -8.245 112 HB3 ASP 17 1HB ASP 17 -3.966 -5.932 -7.882 113 H ASN 18 H ASN 18 -4.673 -4.893 -5.755 114 HA ASN 18 HA ASN 18 -2.366 -3.460 -5.015 115 HB2 ASN 18 2HB ASN 18 -5.197 -2.593 -5.415 116 HB3 ASN 18 1HB ASN 18 -3.976 -1.511 -4.744 117 HD21 ASN 18 1HD2 ASN 18 -4.867 -3.411 -7.564 118 HD22 ASN 18 2HD2 ASN 18 -3.866 -2.575 -8.675 119 H SER 19 H SER 19 -4.148 -5.490 -3.296 120 HA SER 19 HA SER 19 -3.944 -4.084 -0.811 121 HB2 SER 19 2HB SER 19 -4.336 -6.992 -1.502 122 HB3 SER 19 1HB SER 19 -4.004 -6.531 0.158 123 HG SER 19 HG SER 19 -6.059 -5.330 -1.382 124 H CYS 20 H CYS 20 -1.749 -5.493 -2.912 125 HA CYS 20 HA CYS 20 0.310 -5.839 -0.903 126 HB2 CYS 20 2HB CYS 20 0.298 -6.399 -3.864 127 HB3 CYS 20 1HB CYS 20 1.557 -6.917 -2.755 128 H LYS 21 H LYS 21 -0.911 -3.346 -2.636 129 HA LYS 21 HA LYS 21 1.606 -1.879 -2.881 130 HB2 LYS 21 2HB LYS 21 -0.996 -1.953 -4.256 131 HB3 LYS 21 1HB LYS 21 -0.392 -0.367 -3.812 132 HG2 LYS 21 2HG LYS 21 0.159 -1.028 -6.050 133 HG3 LYS 21 1HG LYS 21 1.588 -0.699 -5.034 134 HD2 LYS 21 2HD LYS 21 2.060 -2.624 -6.425 135 HD3 LYS 21 1HD LYS 21 1.815 -3.175 -4.770 136 HE2 LYS 21 2HE LYS 21 0.727 -4.620 -6.423 137 HE3 LYS 21 1HE LYS 21 -0.416 -3.904 -5.296 138 HZ1 LYS 21 3HZ LYS 21 0.115 -2.891 -8.039 139 HZ2 LYS 21 1HZ LYS 21 -1.133 -2.358 -7.013 140 HZ3 LYS 21 2HZ LYS 21 -1.111 -3.937 -7.637 141 H VAL 22 H VAL 22 1.788 -0.083 -2.319 142 HA VAL 22 HA VAL 22 1.032 0.274 0.371 143 HB VAL 22 HB VAL 22 2.624 1.929 -1.528 144 HG11 VAL 22 1HG1 VAL 22 1.793 3.328 0.141 145 HG12 VAL 22 2HG1 VAL 22 3.499 3.014 0.593 146 HG13 VAL 22 3HG1 VAL 22 2.151 2.185 1.428 147 HG21 VAL 22 3HG2 VAL 22 3.425 -0.086 0.592 148 HG22 VAL 22 1HG2 VAL 22 4.529 0.913 -0.365 149 HG23 VAL 22 2HG2 VAL 22 3.464 -0.297 -1.136 150 H CYS 23 H CYS 23 -0.799 0.732 0.508 151 HA CYS 23 HA CYS 23 -1.926 3.062 -0.890 152 HB2 CYS 23 2HB CYS 23 -3.554 1.078 0.723 153 HB3 CYS 23 1HB CYS 23 -4.098 2.315 -0.418 154 H CYS 24 H CYS 24 -2.666 4.789 0.260 155 HA CYS 24 HA CYS 24 -1.909 4.840 3.089 156 HB2 CYS 24 2HB CYS 24 -2.245 7.104 1.096 157 HB3 CYS 24 1HB CYS 24 -1.784 7.301 2.780 158 H ARG 25 H ARG 25 -3.506 6.573 4.262 159 HA ARG 25 HA ARG 25 -6.097 5.879 3.179 160 HB2 ARG 25 2HB ARG 25 -5.311 4.664 5.234 161 HB3 ARG 25 1HB ARG 25 -5.289 6.204 6.054 162 HG2 ARG 25 2HG ARG 25 -7.733 5.230 4.741 163 HG3 ARG 25 1HG ARG 25 -7.270 4.594 6.331 164 HD2 ARG 25 2HD ARG 25 -7.870 7.473 5.530 165 HD3 ARG 25 1HD ARG 25 -8.808 6.480 6.648 166 HE ARG 25 HE ARG 25 -6.314 6.586 7.768 167 HH11 ARG 25 1HH1 ARG 25 -8.444 9.146 6.672 168 HH12 ARG 25 2HH1 ARG 25 -7.994 10.239 7.908 169 HH21 ARG 25 1HH2 ARG 25 -5.666 7.912 9.281 170 HH22 ARG 25 2HH2 ARG 25 -6.247 9.516 9.520 171 H ASP 26 H ASP 26 -7.397 7.563 2.782 172 HA ASP 26 HA ASP 26 -6.131 10.112 3.064 173 HB2 ASP 26 2HB ASP 26 -7.004 10.597 1.042 174 HB3 ASP 26 1HB ASP 26 -7.307 8.877 0.904 175 H LEU 27 H LEU 27 -7.984 11.720 2.962 176 HA LEU 27 HA LEU 27 -8.567 12.131 5.621 177 HB2 LEU 27 2HB LEU 27 -9.308 13.496 3.144 178 HB3 LEU 27 1HB LEU 27 -9.677 14.250 4.712 179 HG LEU 27 HG LEU 27 -7.785 15.371 3.982 180 HD11 LEU 27 1HD1 LEU 27 -5.817 14.599 5.180 181 HD12 LEU 27 2HD1 LEU 27 -6.601 13.039 5.432 182 HD13 LEU 27 3HD1 LEU 27 -7.286 14.496 6.155 183 HD21 LEU 27 3HD2 LEU 27 -5.933 14.371 2.696 184 HD22 LEU 27 1HD2 LEU 27 -7.507 14.101 1.930 185 HD23 LEU 27 2HD2 LEU 27 -6.747 12.798 2.818 186 H SER 28 H SER 28 -10.368 11.179 2.815 187 HA SER 28 HA SER 28 -12.891 11.445 4.085 188 HB2 SER 28 2HB SER 28 -12.069 10.407 1.404 189 HB3 SER 28 1HB SER 28 -13.760 10.692 1.881 190 HG SER 28 HG SER 28 -12.218 12.820 2.391 191 H GLY 29 H GLY 29 -10.444 9.357 4.264 192 HA2 GLY 29 2HA GLY 29 -10.261 7.585 5.358 193 HA3 GLY 29 1HA GLY 29 -12.018 7.329 5.446 194 H ARG 30 H ARG 30 -10.514 7.788 2.345 195 HA ARG 30 HA ARG 30 -11.161 5.064 1.624 196 HB2 ARG 30 2HB ARG 30 -10.138 7.398 0.013 197 HB3 ARG 30 1HB ARG 30 -10.703 5.864 -0.637 198 HG2 ARG 30 2HG ARG 30 -12.922 6.310 -0.081 199 HG3 ARG 30 1HG ARG 30 -12.470 7.582 1.056 200 HD2 ARG 30 2HD ARG 30 -12.052 7.704 -1.915 201 HD3 ARG 30 1HD ARG 30 -13.407 8.449 -1.045 202 HE ARG 30 HE ARG 30 -10.951 9.263 0.077 203 HH11 ARG 30 1HH1 ARG 30 -12.879 9.824 -2.832 204 HH12 ARG 30 2HH1 ARG 30 -12.363 11.439 -3.044 205 HH21 ARG 30 1HH2 ARG 30 -10.267 11.437 -0.173 206 HH22 ARG 30 2HH2 ARG 30 -10.806 12.409 -1.458 207 H CYS 31 H CYS 31 -9.642 3.583 1.144 208 HA CYS 31 HA CYS 31 -6.900 4.215 1.768 209 HB2 CYS 31 2HB CYS 31 -8.167 1.584 0.985 210 HB3 CYS 31 1HB CYS 31 -6.585 1.801 1.734 211 H VAL 32 H VAL 32 -5.764 5.088 0.205 212 HA VAL 32 HA VAL 32 -6.409 4.396 -2.449 213 HB VAL 32 HB VAL 32 -5.287 6.690 -2.999 214 HG11 VAL 32 1HG1 VAL 32 -7.539 6.095 -3.416 215 HG12 VAL 32 2HG1 VAL 32 -7.489 7.754 -2.782 216 HG13 VAL 32 3HG1 VAL 32 -8.018 6.413 -1.745 217 HG21 VAL 32 3HG2 VAL 32 -5.410 8.345 -1.278 218 HG22 VAL 32 1HG2 VAL 32 -4.537 6.967 -0.611 219 HG23 VAL 32 2HG2 VAL 32 -6.235 7.259 -0.169 220 HA PRO 33 HA PRO 33 -2.267 2.855 -2.900 221 HB2 PRO 33 2HB PRO 33 -1.992 3.244 -5.609 222 HB3 PRO 33 1HB PRO 33 -2.934 1.905 -4.919 223 HG2 PRO 33 2HG PRO 33 -3.901 4.501 -6.000 224 HG3 PRO 33 1HG PRO 33 -4.585 2.873 -6.192 225 HD2 PRO 33 2HD PRO 33 -5.645 4.624 -4.422 226 HD3 PRO 33 1HD PRO 33 -5.563 2.882 -4.103 227 H TYR 34 H TYR 34 -0.385 3.936 -2.383 228 HA TYR 34 HA TYR 34 -0.282 6.725 -2.889 229 HB2 TYR 34 2HB TYR 34 0.708 6.376 -0.909 230 HB3 TYR 34 1HB TYR 34 1.422 4.821 -1.345 231 HD1 TYR 34 1HD TYR 34 2.062 8.666 -1.338 232 HD2 TYR 34 2HD TYR 34 3.595 4.780 -2.519 233 HE1 TYR 34 1HE TYR 34 4.023 9.531 -1.597 234 HE2 TYR 34 2HE TYR 34 5.721 5.852 -2.828 235 HH TYR 34 HH TYR 34 6.501 8.692 -1.586 236 H VAL 35 H VAL 35 0.779 7.849 -4.260 237 HA VAL 35 HA VAL 35 3.061 6.874 -5.586 238 HB VAL 35 HB VAL 35 1.484 8.717 -7.103 239 HG11 VAL 35 1HG1 VAL 35 2.782 6.219 -7.975 240 HG12 VAL 35 2HG1 VAL 35 3.370 7.889 -7.979 241 HG13 VAL 35 3HG1 VAL 35 2.041 7.427 -9.042 242 HG21 VAL 35 3HG2 VAL 35 -0.271 7.320 -8.083 243 HG22 VAL 35 1HG2 VAL 35 -0.428 7.443 -6.326 244 HG23 VAL 35 2HG2 VAL 35 0.228 5.967 -7.050 245 H ASP 36 H ASP 36 4.344 8.809 -5.525 246 HA ASP 36 HA ASP 36 2.756 11.206 -4.687 247 HB2 ASP 36 2HB ASP 36 4.357 10.364 -3.068 248 HB3 ASP 36 1HB ASP 36 5.714 10.612 -4.213 249 H ALA 37 H ALA 37 4.316 13.004 -5.255 250 HA ALA 37 HA ALA 37 2.706 13.150 -7.443 251 HB1 ALA 37 1HB ALA 37 4.562 15.176 -6.329 252 HB2 ALA 37 2HB ALA 37 2.998 14.629 -5.742 253 HB3 ALA 37 3HB ALA 37 3.076 15.513 -7.310 254 H GLU 38 H GLU 38 5.942 12.566 -6.823 255 HA GLU 38 HA GLU 38 7.191 13.069 -9.154 256 HB2 GLU 38 2HB GLU 38 8.911 11.748 -8.184 257 HB3 GLU 38 1HB GLU 38 7.951 12.736 -7.016 258 HG2 GLU 38 2HG GLU 38 6.884 10.887 -6.122 259 HG3 GLU 38 1HG GLU 38 7.510 9.823 -7.380 260 H GLN 39 H GLN 39 4.853 10.765 -8.237 261 HA GLN 39 HA GLN 39 3.725 9.270 -9.135 262 HB2 GLN 39 2HB GLN 39 5.452 10.049 -11.245 263 HB3 GLN 39 1HB GLN 39 4.313 8.695 -11.621 264 HG2 GLN 39 2HG GLN 39 2.496 10.254 -10.966 265 HG3 GLN 39 1HG GLN 39 3.720 11.473 -10.613 266 HE21 GLN 39 1HE2 GLN 39 4.697 12.528 -12.319 267 HE22 GLN 39 2HE2 GLN 39 4.096 12.452 -13.945 268 H LYS 40 H LYS 40 5.930 8.691 -7.493 269 HA LYS 40 HA LYS 40 6.755 6.111 -8.517 270 HB2 LYS 40 2HB LYS 40 8.423 6.056 -7.078 271 HB3 LYS 40 1HB LYS 40 8.073 7.838 -7.263 272 HG2 LYS 40 2HG LYS 40 7.228 8.021 -5.097 273 HG3 LYS 40 1HG LYS 40 7.144 6.265 -4.879 274 HD2 LYS 40 2HD LYS 40 9.561 6.093 -4.887 275 HD3 LYS 40 1HD LYS 40 9.720 7.795 -5.294 276 HE2 LYS 40 2HE LYS 40 8.599 6.701 -2.711 277 HE3 LYS 40 1HE LYS 40 10.230 7.326 -2.929 278 HZ1 LYS 40 3HZ LYS 40 8.790 9.011 -1.947 279 HZ2 LYS 40 1HZ LYS 40 7.693 8.792 -3.168 280 HZ3 LYS 40 2HZ LYS 40 9.111 9.529 -3.565 281 H ASN 41 H ASN 41 6.281 4.253 -7.626 282 HA ASN 41 HA ASN 41 4.009 4.287 -5.786 283 HB2 ASN 41 2HB ASN 41 3.741 3.571 -8.246 284 HB3 ASN 41 1HB ASN 41 4.757 2.224 -7.746 285 HD21 ASN 41 1HD2 ASN 41 1.635 3.729 -7.134 286 HD22 ASN 41 2HD2 ASN 41 0.866 2.319 -6.515 287 H LEU 42 H LEU 42 4.011 1.799 -4.905 288 HA LEU 42 HA LEU 42 6.702 1.024 -4.114 289 HB2 LEU 42 2HB LEU 42 4.662 1.933 -2.118 290 HB3 LEU 42 1HB LEU 42 6.185 1.172 -1.730 291 HG LEU 42 HG LEU 42 5.914 3.856 -3.053 292 HD11 LEU 42 1HD1 LEU 42 6.256 4.810 -0.911 293 HD12 LEU 42 2HD1 LEU 42 6.450 3.218 -0.145 294 HD13 LEU 42 3HD1 LEU 42 4.876 3.715 -0.782 295 HD21 LEU 42 3HD2 LEU 42 8.234 4.137 -2.334 296 HD22 LEU 42 1HD2 LEU 42 8.073 2.743 -3.403 297 HD23 LEU 42 2HD2 LEU 42 8.234 2.505 -1.661 298 H PHE 43 H PHE 43 6.745 -1.050 -3.195 299 HA PHE 43 HA PHE 43 4.337 -2.471 -3.278 300 HB2 PHE 43 2HB PHE 43 5.900 -3.401 -4.762 301 HB3 PHE 43 1HB PHE 43 7.220 -3.110 -3.636 302 HD1 PHE 43 2HD PHE 43 3.974 -4.993 -3.498 303 HD2 PHE 43 1HD PHE 43 8.192 -5.067 -2.923 304 HE1 PHE 43 2HE PHE 43 3.829 -7.310 -2.690 305 HE2 PHE 43 1HE PHE 43 8.045 -7.381 -2.120 306 HZ PHE 43 HZ PHE 43 5.859 -8.500 -2.003 307 H LEU 44 H LEU 44 3.676 -3.497 -1.301 308 HA LEU 44 HA LEU 44 4.777 -2.596 0.970 309 HB2 LEU 44 2HB LEU 44 2.601 -4.517 0.364 310 HB3 LEU 44 1HB LEU 44 3.147 -4.344 2.016 311 HG LEU 44 HG LEU 44 2.126 -2.048 0.335 312 HD11 LEU 44 1HD1 LEU 44 0.108 -2.248 1.700 313 HD12 LEU 44 2HD1 LEU 44 0.800 -3.681 2.468 314 HD13 LEU 44 3HD1 LEU 44 0.387 -3.714 0.754 315 HD21 LEU 44 3HD2 LEU 44 3.658 -1.405 2.166 316 HD22 LEU 44 1HD2 LEU 44 2.655 -2.310 3.296 317 HD23 LEU 44 2HD2 LEU 44 2.005 -0.889 2.481 318 H ARG 45 H ARG 45 4.880 -4.611 2.774 319 HA ARG 45 HA ARG 45 7.262 -5.999 2.271 320 HB2 ARG 45 2HB ARG 45 5.819 -5.352 4.477 321 HB3 ARG 45 1HB ARG 45 5.498 -7.081 4.244 322 HG2 ARG 45 2HG ARG 45 7.930 -7.555 4.239 323 HG3 ARG 45 1HG ARG 45 8.205 -5.879 4.713 324 HD2 ARG 45 2HD ARG 45 8.225 -7.316 6.669 325 HD3 ARG 45 1HD ARG 45 6.833 -6.234 6.723 326 HE ARG 45 HE ARG 45 6.212 -8.773 5.527 327 HH11 ARG 45 1HH1 ARG 45 6.585 -7.191 8.674 328 HH12 ARG 45 2HH1 ARG 45 5.537 -8.250 9.494 329 HH21 ARG 45 1HH2 ARG 45 4.763 -10.218 6.624 330 HH22 ARG 45 2HH2 ARG 45 4.454 -10.042 8.271 331 H LYS 46 H LYS 46 7.238 -8.359 2.913 332 HA LYS 46 HA LYS 46 5.549 -9.974 1.133 333 HB2 LYS 46 2HB LYS 46 8.013 -10.153 0.899 334 HB3 LYS 46 1HB LYS 46 8.156 -10.530 2.599 335 HG2 LYS 46 2HG LYS 46 6.986 -12.683 2.183 336 HG3 LYS 46 1HG LYS 46 6.937 -12.291 0.458 337 HD2 LYS 46 2HD LYS 46 9.364 -12.203 0.364 338 HD3 LYS 46 1HD LYS 46 9.473 -12.440 2.101 339 HE2 LYS 46 2HE LYS 46 10.028 -14.509 1.002 340 HE3 LYS 46 1HE LYS 46 8.473 -14.703 1.799 341 HZ1 LYS 46 3HZ LYS 46 8.742 -14.119 -1.121 342 HZ2 LYS 46 1HZ LYS 46 7.363 -14.519 -0.302 343 HZ3 LYS 46 2HZ LYS 46 8.531 -15.663 -0.488 344 H GLY 47 H GLY 47 4.090 -11.340 2.010 345 HA2 GLY 47 2HA GLY 47 2.989 -12.637 3.556 346 HA3 GLY 47 1HA GLY 47 4.315 -12.368 4.702 347 H LYS 48 H LYS 48 2.562 -9.910 2.993 348 HA LYS 48 HA LYS 48 1.638 -8.811 5.496 349 HB2 LYS 48 2HB LYS 48 2.854 -7.374 3.977 350 HB3 LYS 48 1HB LYS 48 1.809 -7.837 2.658 351 HG2 LYS 48 2HG LYS 48 0.718 -6.343 5.049 352 HG3 LYS 48 1HG LYS 48 1.532 -5.475 3.748 353 HD2 LYS 48 2HD LYS 48 -0.083 -6.293 2.141 354 HD3 LYS 48 1HD LYS 48 -0.832 -7.310 3.368 355 HE2 LYS 48 2HE LYS 48 -1.516 -5.316 4.602 356 HE3 LYS 48 1HE LYS 48 -0.782 -4.280 3.383 357 HZ1 LYS 48 3HZ LYS 48 -2.952 -6.226 2.939 358 HZ2 LYS 48 1HZ LYS 48 -2.258 -5.251 1.740 359 HZ3 LYS 48 2HZ LYS 48 -3.158 -4.537 2.989 360 HA PRO 49 HA PRO 49 -2.430 -10.746 5.064 361 HB2 PRO 49 2HB PRO 49 -3.236 -8.211 6.433 362 HB3 PRO 49 1HB PRO 49 -3.642 -9.888 6.860 363 HG2 PRO 49 2HG PRO 49 -1.851 -8.616 8.274 364 HG3 PRO 49 1HG PRO 49 -1.589 -10.311 7.812 365 HD2 PRO 49 2HD PRO 49 -0.318 -7.855 6.707 366 HD3 PRO 49 1HD PRO 49 0.366 -9.472 6.981 367 H CYS 50 H CYS 50 -3.666 -10.693 3.285 368 HA CYS 50 HA CYS 50 -4.216 -8.164 2.084 369 HB2 CYS 50 2HB CYS 50 -2.433 -8.889 0.873 370 HB3 CYS 50 1HB CYS 50 -2.848 -10.600 1.009 371 H THR 51 H THR 51 -5.768 -9.133 -0.022 372 HA THR 51 HA THR 51 -8.279 -9.357 1.150 373 HB THR 51 HB THR 51 -8.962 -9.833 -1.274 374 HG1 THR 51 1HG THR 51 -7.430 -9.909 -2.782 375 HG21 THR 51 3HG2 THR 51 -6.994 -7.594 -0.949 376 HG22 THR 51 1HG2 THR 51 -8.655 -7.502 -0.324 377 HG23 THR 51 2HG2 THR 51 -8.350 -7.660 -2.064 378 H VAL 52 H VAL 52 -6.593 -11.546 -0.866 379 HA VAL 52 HA VAL 52 -8.354 -13.712 -0.095 380 HB VAL 52 HB VAL 52 -7.475 -14.919 -2.055 381 HG11 VAL 52 1HG1 VAL 52 -8.439 -12.080 -2.475 382 HG12 VAL 52 2HG1 VAL 52 -9.428 -13.536 -2.336 383 HG13 VAL 52 3HG1 VAL 52 -8.400 -13.301 -3.751 384 HG21 VAL 52 3HG2 VAL 52 -5.175 -13.815 -2.024 385 HG22 VAL 52 1HG2 VAL 52 -5.915 -12.384 -2.729 386 HG23 VAL 52 2HG2 VAL 52 -5.919 -13.899 -3.616 387 H GLY 53 H GLY 53 -5.122 -12.753 0.468 388 HA2 GLY 53 2HA GLY 53 -4.751 -14.799 2.326 389 HA3 GLY 53 1HA GLY 53 -3.850 -15.100 0.831 390 H PHE 54 H PHE 54 -1.888 -14.375 0.808 391 HA PHE 54 HA PHE 54 -1.248 -11.944 2.349 392 HB2 PHE 54 2HB PHE 54 0.380 -14.461 2.163 393 HB3 PHE 54 1HB PHE 54 1.019 -12.940 2.796 394 HD1 PHE 54 1HD PHE 54 0.042 -12.003 4.889 395 HD2 PHE 54 2HD PHE 54 -0.948 -15.894 3.483 396 HE1 PHE 54 1HE PHE 54 -0.806 -12.587 7.121 397 HE2 PHE 54 2HE PHE 54 -1.801 -16.486 5.713 398 HZ PHE 54 HZ PHE 54 -1.731 -14.833 7.536 399 H CYS 55 H CYS 55 0.462 -10.754 1.583 400 HA CYS 55 HA CYS 55 0.687 -10.807 -1.314 401 HB2 CYS 55 2HB CYS 55 1.626 -8.897 0.768 402 HB3 CYS 55 1HB CYS 55 1.955 -8.693 -0.948 403 H ASP 56 H ASP 56 2.379 -11.571 -2.375 404 HA ASP 56 HA ASP 56 4.809 -11.832 -0.779 405 HB2 ASP 56 2HB ASP 56 3.691 -13.983 -1.789 406 HB3 ASP 56 1HB ASP 56 4.461 -13.455 -3.289 407 H MET 57 H MET 57 6.773 -12.116 -2.715 408 HA MET 57 HA MET 57 7.544 -9.575 -3.027 409 HB2 MET 57 2HB MET 57 8.812 -11.661 -2.789 410 HB3 MET 57 1HB MET 57 8.436 -12.039 -4.462 411 HG2 MET 57 2HG MET 57 9.497 -10.023 -5.143 412 HG3 MET 57 1HG MET 57 9.833 -9.703 -3.421 413 HE1 MET 57 3HE MET 57 12.491 -9.402 -4.124 414 HE2 MET 57 1HE MET 57 12.121 -9.819 -5.797 415 HE3 MET 57 2HE MET 57 13.414 -10.661 -4.944 416 H ASN 58 H ASN 58 5.531 -11.360 -5.233 417 HA ASN 58 HA ASN 58 6.349 -9.711 -7.510 418 HB2 ASN 58 2HB ASN 58 5.838 -12.176 -7.767 419 HB3 ASN 58 1HB ASN 58 4.155 -11.808 -7.432 420 HD21 ASN 58 1HD2 ASN 58 6.752 -11.502 -9.731 421 HD22 ASN 58 2HD2 ASN 58 5.764 -11.068 -11.080 422 H GLY 59 H GLY 59 4.392 -9.240 -4.929 423 HA2 GLY 59 2HA GLY 59 2.861 -7.520 -4.501 424 HA3 GLY 59 1HA GLY 59 2.885 -7.129 -6.224 425 H LYS 60 H LYS 60 2.482 -10.342 -5.314 426 HA LYS 60 HA LYS 60 -0.360 -10.261 -6.050 427 HB2 LYS 60 2HB LYS 60 1.831 -12.175 -6.690 428 HB3 LYS 60 1HB LYS 60 0.235 -12.841 -6.396 429 HG2 LYS 60 2HG LYS 60 0.782 -12.371 -8.819 430 HG3 LYS 60 1HG LYS 60 -0.711 -11.643 -8.225 431 HD2 LYS 60 2HD LYS 60 0.524 -9.531 -7.855 432 HD3 LYS 60 1HD LYS 60 1.954 -10.284 -8.546 433 HE2 LYS 60 2HE LYS 60 0.933 -10.441 -10.672 434 HE3 LYS 60 1HE LYS 60 -0.650 -10.012 -10.010 435 HZ1 LYS 60 3HZ LYS 60 0.048 -7.910 -9.499 436 HZ2 LYS 60 1HZ LYS 60 0.499 -8.118 -11.107 437 HZ3 LYS 60 2HZ LYS 60 1.674 -8.194 -9.848 438 H CYS 61 H CYS 61 -1.602 -11.974 -5.165 439 HA CYS 61 HA CYS 61 -1.035 -12.018 -2.324 440 HB2 CYS 61 2HB CYS 61 -2.631 -10.334 -3.196 441 HB3 CYS 61 1HB CYS 61 -3.595 -11.724 -3.730 442 H GLU 62 H GLU 62 -0.905 -13.902 -1.784 443 HA GLU 62 HA GLU 62 -2.089 -16.078 -3.282 444 HB2 GLU 62 2HB GLU 62 0.242 -16.273 -1.363 445 HB3 GLU 62 1HB GLU 62 -0.252 -17.448 -2.564 446 HG2 GLU 62 2HG GLU 62 1.015 -14.757 -3.124 447 HG3 GLU 62 1HG GLU 62 1.832 -16.308 -3.183 Start of MODEL 6 1 H PHE 1 1HT PHE 1 4.186 4.318 8.150 2 HA PHE 1 HA PHE 1 5.008 4.387 6.195 3 HB2 PHE 1 2HB PHE 1 4.382 2.769 4.301 4 HB3 PHE 1 1HB PHE 1 5.522 2.187 5.500 5 HD1 PHE 1 2HD PHE 1 4.190 0.805 7.463 6 HD2 PHE 1 1HD PHE 1 2.960 1.435 3.470 7 HE1 PHE 1 2HE PHE 1 2.853 -1.259 7.580 8 HE2 PHE 1 1HE PHE 1 1.616 -0.650 3.545 9 HZ PHE 1 HZ PHE 1 1.565 -1.996 5.611 10 H CYS 2 H CYS 2 4.037 4.525 3.964 11 HA CYS 2 HA CYS 2 3.159 6.233 2.859 12 HB2 CYS 2 2HB CYS 2 1.060 5.058 3.531 13 HB3 CYS 2 1HB CYS 2 1.035 6.215 4.880 14 H GLU 3 H GLU 3 4.194 6.642 5.942 15 HA GLU 3 HA GLU 3 3.235 9.104 6.816 16 HB2 GLU 3 2HB GLU 3 5.239 9.289 8.293 17 HB3 GLU 3 1HB GLU 3 4.261 7.840 8.551 18 HG2 GLU 3 2HG GLU 3 6.968 8.058 7.170 19 HG3 GLU 3 1HG GLU 3 6.668 7.470 8.793 20 H ARG 4 H ARG 4 6.622 8.853 5.735 21 HA ARG 4 HA ARG 4 6.391 11.583 5.143 22 HB2 ARG 4 2HB ARG 4 8.756 11.686 4.813 23 HB3 ARG 4 1HB ARG 4 8.450 10.507 6.068 24 HG2 ARG 4 2HG ARG 4 10.141 9.476 4.886 25 HG3 ARG 4 1HG ARG 4 8.718 8.761 4.137 26 HD2 ARG 4 2HD ARG 4 9.595 11.245 2.826 27 HD3 ARG 4 1HD ARG 4 10.818 9.982 2.797 28 HE ARG 4 HE ARG 4 8.743 8.612 1.946 29 HH11 ARG 4 1HH1 ARG 4 9.590 11.907 0.933 30 HH12 ARG 4 2HH1 ARG 4 8.955 11.693 -0.648 31 HH21 ARG 4 1HH2 ARG 4 7.948 8.366 -0.090 32 HH22 ARG 4 2HH2 ARG 4 7.930 9.597 -1.279 33 H GLU 5 H GLU 5 5.637 8.861 3.677 34 HA GLU 5 HA GLU 5 6.307 9.140 0.980 35 HB2 GLU 5 2HB GLU 5 3.932 7.754 2.169 36 HB3 GLU 5 1HB GLU 5 4.682 7.367 0.634 37 HG2 GLU 5 2HG GLU 5 5.936 6.849 3.400 38 HG3 GLU 5 1HG GLU 5 5.258 5.658 2.383 39 H GLN 6 H GLN 6 3.089 9.835 2.644 40 HA GLN 6 HA GLN 6 2.795 12.208 1.068 41 HB2 GLN 6 2HB GLN 6 0.263 11.267 0.773 42 HB3 GLN 6 1HB GLN 6 1.457 11.298 -0.545 43 HG2 GLN 6 2HG GLN 6 1.964 8.968 0.064 44 HG3 GLN 6 1HG GLN 6 0.725 9.058 1.305 45 HE21 GLN 6 1HE2 GLN 6 1.255 9.112 -2.179 46 HE22 GLN 6 2HE2 GLN 6 -0.382 8.751 -2.586 47 H GLN 7 H GLN 7 3.035 11.207 3.803 48 HA GLN 7 HA GLN 7 2.530 11.707 5.726 49 HB2 GLN 7 2HB GLN 7 0.981 13.983 4.534 50 HB3 GLN 7 1HB GLN 7 1.336 13.846 6.254 51 HG2 GLN 7 2HG GLN 7 3.697 13.872 5.818 52 HG3 GLN 7 1HG GLN 7 3.395 13.870 4.084 53 HE21 GLN 7 1HE2 GLN 7 1.479 15.733 6.319 54 HE22 GLN 7 2HE2 GLN 7 2.067 17.289 5.821 55 H LEU 8 H LEU 8 0.803 9.831 4.501 56 HA LEU 8 HA LEU 8 -1.474 9.939 6.388 57 HB2 LEU 8 2HB LEU 8 -1.155 8.247 3.904 58 HB3 LEU 8 1HB LEU 8 -2.463 8.117 5.041 59 HG LEU 8 HG LEU 8 -3.421 9.181 3.346 60 HD11 LEU 8 1HD1 LEU 8 -2.460 11.456 4.999 61 HD12 LEU 8 2HD1 LEU 8 -3.700 10.269 5.364 62 HD13 LEU 8 3HD1 LEU 8 -3.949 11.394 4.002 63 HD21 LEU 8 3HD2 LEU 8 -2.422 10.957 1.943 64 HD22 LEU 8 1HD2 LEU 8 -1.560 9.431 1.931 65 HD23 LEU 8 2HD2 LEU 8 -0.895 10.790 2.822 66 H GLU 9 H GLU 9 -2.029 7.606 6.816 67 HA GLU 9 HA GLU 9 0.432 6.047 7.106 68 HB2 GLU 9 2HB GLU 9 -0.519 6.513 9.371 69 HB3 GLU 9 1HB GLU 9 -2.056 5.831 8.849 70 HG2 GLU 9 2HG GLU 9 -0.685 4.337 10.344 71 HG3 GLU 9 1HG GLU 9 -1.167 3.619 8.815 72 H SER 10 H SER 10 0.047 3.740 6.805 73 HA SER 10 HA SER 10 -0.933 3.474 4.302 74 HB2 SER 10 2HB SER 10 -0.168 1.183 4.598 75 HB3 SER 10 1HB SER 10 0.880 2.467 5.257 76 HG SER 10 HG SER 10 0.355 1.965 7.294 77 H CYS 11 H CYS 11 -2.575 1.854 3.607 78 HA CYS 11 HA CYS 11 -4.463 0.810 5.517 79 HB2 CYS 11 2HB CYS 11 -6.447 1.620 4.251 80 HB3 CYS 11 1HB CYS 11 -5.551 3.021 4.786 81 H ALA 12 H ALA 12 -6.025 -0.703 4.068 82 HA ALA 12 HA ALA 12 -4.309 -1.832 1.998 83 HB1 ALA 12 1HB ALA 12 -5.171 -4.052 2.603 84 HB2 ALA 12 2HB ALA 12 -6.132 -3.329 3.893 85 HB3 ALA 12 3HB ALA 12 -4.372 -3.287 3.979 86 H CYS 13 H CYS 13 -5.169 -1.613 0.097 87 HA CYS 13 HA CYS 13 -7.818 -0.791 -0.425 88 HB2 CYS 13 2HB CYS 13 -5.701 -1.968 -2.237 89 HB3 CYS 13 1HB CYS 13 -7.174 -1.201 -2.770 90 H ASN 14 H ASN 14 -9.592 -1.754 -1.049 91 HA ASN 14 HA ASN 14 -10.161 -4.348 -0.146 92 HB2 ASN 14 2HB ASN 14 -11.822 -2.501 -0.414 93 HB3 ASN 14 1HB ASN 14 -11.693 -2.709 -2.158 94 HD21 ASN 14 1HD2 ASN 14 -12.768 -4.471 -3.142 95 HD22 ASN 14 2HD2 ASN 14 -13.869 -5.459 -2.246 96 H GLU 15 H GLU 15 -8.959 -3.227 -3.140 97 HA GLU 15 HA GLU 15 -9.785 -5.449 -4.571 98 HB2 GLU 15 2HB GLU 15 -9.545 -3.146 -5.565 99 HB3 GLU 15 1HB GLU 15 -7.809 -3.319 -5.371 100 HG2 GLU 15 2HG GLU 15 -9.407 -5.156 -7.124 101 HG3 GLU 15 1HG GLU 15 -8.713 -3.641 -7.698 102 H THR 16 H THR 16 -8.254 -7.180 -5.328 103 HA THR 16 HA THR 16 -6.531 -8.101 -3.372 104 HB THR 16 HB THR 16 -6.811 -8.938 -6.248 105 HG1 THR 16 1HG THR 16 -8.089 -9.478 -3.837 106 HG21 THR 16 3HG2 THR 16 -4.626 -9.592 -5.232 107 HG22 THR 16 1HG2 THR 16 -5.643 -10.993 -5.621 108 HG23 THR 16 2HG2 THR 16 -5.510 -10.465 -3.954 109 H ASP 17 H ASP 17 -5.638 -6.732 -6.573 110 HA ASP 17 HA ASP 17 -2.922 -7.242 -6.089 111 HB2 ASP 17 2HB ASP 17 -3.797 -6.860 -8.380 112 HB3 ASP 17 1HB ASP 17 -4.139 -5.194 -7.871 113 H ASN 18 H ASN 18 -5.080 -4.477 -5.742 114 HA ASN 18 HA ASN 18 -3.081 -2.706 -5.017 115 HB2 ASN 18 2HB ASN 18 -6.062 -2.554 -4.895 116 HB3 ASN 18 1HB ASN 18 -5.076 -1.304 -4.153 117 HD21 ASN 18 1HD2 ASN 18 -5.840 -2.881 -7.218 118 HD22 ASN 18 2HD2 ASN 18 -5.319 -1.568 -8.204 119 H SER 19 H SER 19 -4.718 -5.000 -3.304 120 HA SER 19 HA SER 19 -4.088 -3.815 -0.730 121 HB2 SER 19 2HB SER 19 -4.855 -5.896 0.336 122 HB3 SER 19 1HB SER 19 -6.016 -5.305 -0.851 123 HG SER 19 HG SER 19 -4.577 -6.917 -2.239 124 H CYS 20 H CYS 20 -2.246 -5.248 -3.009 125 HA CYS 20 HA CYS 20 -0.385 -6.325 -1.042 126 HB2 CYS 20 2HB CYS 20 -1.269 -7.670 -3.091 127 HB3 CYS 20 1HB CYS 20 -0.171 -6.651 -4.017 128 H LYS 21 H LYS 21 -1.022 -3.413 -2.261 129 HA LYS 21 HA LYS 21 1.754 -2.574 -1.950 130 HB2 LYS 21 2HB LYS 21 1.866 -1.840 -4.167 131 HB3 LYS 21 1HB LYS 21 0.321 -2.695 -4.278 132 HG2 LYS 21 2HG LYS 21 0.043 0.007 -3.236 133 HG3 LYS 21 1HG LYS 21 0.672 -0.052 -4.876 134 HD2 LYS 21 2HD LYS 21 -1.805 -1.503 -3.978 135 HD3 LYS 21 1HD LYS 21 -1.832 0.124 -4.640 136 HE2 LYS 21 2HE LYS 21 -2.363 -1.375 -6.450 137 HE3 LYS 21 1HE LYS 21 -0.742 -0.773 -6.719 138 HZ1 LYS 21 3HZ LYS 21 -1.125 -3.209 -7.120 139 HZ2 LYS 21 1HZ LYS 21 -1.319 -3.434 -5.502 140 HZ3 LYS 21 2HZ LYS 21 0.175 -2.911 -6.107 141 H VAL 22 H VAL 22 1.986 -0.521 -1.660 142 HA VAL 22 HA VAL 22 0.729 -0.172 0.810 143 HB VAL 22 HB VAL 22 2.608 1.535 -0.741 144 HG11 VAL 22 1HG1 VAL 22 1.472 2.910 0.750 145 HG12 VAL 22 2HG1 VAL 22 3.032 2.569 1.588 146 HG13 VAL 22 3HG1 VAL 22 1.536 1.737 2.053 147 HG21 VAL 22 3HG2 VAL 22 3.122 -0.303 1.610 148 HG22 VAL 22 1HG2 VAL 22 4.334 0.493 0.627 149 HG23 VAL 22 2HG2 VAL 22 3.331 -0.855 -0.028 150 H CYS 23 H CYS 23 -1.135 0.345 0.755 151 HA CYS 23 HA CYS 23 -2.046 2.689 -0.754 152 HB2 CYS 23 2HB CYS 23 -3.722 0.921 1.056 153 HB3 CYS 23 1HB CYS 23 -4.234 2.184 -0.085 154 H CYS 24 H CYS 24 -3.356 4.264 0.424 155 HA CYS 24 HA CYS 24 -2.167 5.008 2.997 156 HB2 CYS 24 2HB CYS 24 -2.386 6.652 0.498 157 HB3 CYS 24 1HB CYS 24 -2.118 7.378 2.075 158 H ARG 25 H ARG 25 -3.518 6.484 4.231 159 HA ARG 25 HA ARG 25 -6.257 5.909 3.436 160 HB2 ARG 25 2HB ARG 25 -5.244 4.783 5.486 161 HB3 ARG 25 1HB ARG 25 -5.253 6.372 6.208 162 HG2 ARG 25 2HG ARG 25 -7.723 5.439 5.006 163 HG3 ARG 25 1HG ARG 25 -7.251 4.643 6.525 164 HD2 ARG 25 2HD ARG 25 -7.057 7.039 7.467 165 HD3 ARG 25 1HD ARG 25 -7.790 7.599 5.969 166 HE ARG 25 HE ARG 25 -9.330 5.613 7.325 167 HH11 ARG 25 1HH1 ARG 25 -8.797 9.060 6.902 168 HH12 ARG 25 2HH1 ARG 25 -10.157 9.604 7.756 169 HH21 ARG 25 1HH2 ARG 25 -11.299 6.287 8.523 170 HH22 ARG 25 2HH2 ARG 25 -11.638 7.941 8.720 171 H ASP 26 H ASP 26 -7.303 7.580 2.789 172 HA ASP 26 HA ASP 26 -6.166 10.118 3.108 173 HB2 ASP 26 2HB ASP 26 -7.027 10.401 1.104 174 HB3 ASP 26 1HB ASP 26 -7.759 8.803 1.126 175 H LEU 27 H LEU 27 -7.479 11.736 3.531 176 HA LEU 27 HA LEU 27 -8.254 11.814 6.151 177 HB2 LEU 27 2HB LEU 27 -9.075 13.923 4.186 178 HB3 LEU 27 1HB LEU 27 -8.792 14.130 5.904 179 HG LEU 27 HG LEU 27 -6.360 13.293 5.129 180 HD11 LEU 27 1HD1 LEU 27 -5.711 14.315 3.028 181 HD12 LEU 27 2HD1 LEU 27 -7.376 14.813 2.750 182 HD13 LEU 27 3HD1 LEU 27 -6.973 13.105 2.767 183 HD21 LEU 27 3HD2 LEU 27 -6.816 15.310 6.426 184 HD22 LEU 27 1HD2 LEU 27 -7.374 16.134 4.970 185 HD23 LEU 27 2HD2 LEU 27 -5.683 15.661 5.122 186 H SER 28 H SER 28 -10.184 11.488 3.261 187 HA SER 28 HA SER 28 -12.628 12.037 4.572 188 HB2 SER 28 2HB SER 28 -12.324 12.756 2.251 189 HB3 SER 28 1HB SER 28 -12.021 11.095 1.755 190 HG SER 28 HG SER 28 -14.267 10.892 2.876 191 H GLY 29 H GLY 29 -10.530 9.544 4.452 192 HA2 GLY 29 2HA GLY 29 -10.725 7.758 5.551 193 HA3 GLY 29 1HA GLY 29 -12.501 7.718 5.425 194 H ARG 30 H ARG 30 -10.788 8.266 2.517 195 HA ARG 30 HA ARG 30 -11.598 5.686 1.541 196 HB2 ARG 30 2HB ARG 30 -10.293 8.053 0.206 197 HB3 ARG 30 1HB ARG 30 -10.923 6.630 -0.618 198 HG2 ARG 30 2HG ARG 30 -13.143 7.180 -0.125 199 HG3 ARG 30 1HG ARG 30 -12.668 8.324 1.131 200 HD2 ARG 30 2HD ARG 30 -12.112 8.652 -1.805 201 HD3 ARG 30 1HD ARG 30 -13.444 9.422 -0.926 202 HE ARG 30 HE ARG 30 -10.987 9.961 0.341 203 HH11 ARG 30 1HH1 ARG 30 -12.834 10.931 -2.507 204 HH12 ARG 30 2HH1 ARG 30 -12.134 12.484 -2.627 205 HH21 ARG 30 1HH2 ARG 30 -10.025 12.049 0.212 206 HH22 ARG 30 2HH2 ARG 30 -10.451 13.157 -1.005 207 H CYS 31 H CYS 31 -10.139 4.249 0.596 208 HA CYS 31 HA CYS 31 -7.412 4.466 1.606 209 HB2 CYS 31 2HB CYS 31 -8.809 2.455 2.219 210 HB3 CYS 31 1HB CYS 31 -8.905 2.063 0.509 211 H VAL 32 H VAL 32 -5.908 5.037 0.107 212 HA VAL 32 HA VAL 32 -6.681 4.739 -2.602 213 HB VAL 32 HB VAL 32 -5.883 6.876 -3.190 214 HG11 VAL 32 1HG1 VAL 32 -7.069 7.388 -0.457 215 HG12 VAL 32 2HG1 VAL 32 -7.945 7.100 -1.956 216 HG13 VAL 32 3HG1 VAL 32 -6.934 8.532 -1.793 217 HG21 VAL 32 3HG2 VAL 32 -3.740 6.826 -2.255 218 HG22 VAL 32 1HG2 VAL 32 -4.345 6.966 -0.594 219 HG23 VAL 32 2HG2 VAL 32 -4.497 8.335 -1.710 220 HA PRO 33 HA PRO 33 -2.553 2.863 -2.655 221 HB2 PRO 33 2HB PRO 33 -1.826 3.049 -5.252 222 HB3 PRO 33 1HB PRO 33 -3.189 2.033 -4.739 223 HG2 PRO 33 2HG PRO 33 -3.237 4.566 -6.203 224 HG3 PRO 33 1HG PRO 33 -4.464 3.294 -6.104 225 HD2 PRO 33 2HD PRO 33 -4.368 5.781 -4.595 226 HD3 PRO 33 1HD PRO 33 -5.617 4.511 -4.562 227 H TYR 34 H TYR 34 -0.343 3.534 -2.073 228 HA TYR 34 HA TYR 34 0.106 6.280 -2.543 229 HB2 TYR 34 2HB TYR 34 0.915 5.923 -0.584 230 HB3 TYR 34 1HB TYR 34 1.427 4.247 -0.881 231 HD1 TYR 34 1HD TYR 34 2.439 7.871 -1.921 232 HD2 TYR 34 2HD TYR 34 3.741 3.895 -0.844 233 HE1 TYR 34 1HE TYR 34 4.622 8.519 -2.094 234 HE2 TYR 34 2HE TYR 34 6.012 4.689 -1.031 235 HH TYR 34 HH TYR 34 6.686 8.085 -1.874 236 H VAL 35 H VAL 35 0.929 7.263 -4.033 237 HA VAL 35 HA VAL 35 3.440 6.499 -5.103 238 HB VAL 35 HB VAL 35 1.903 8.091 -6.858 239 HG11 VAL 35 1HG1 VAL 35 3.412 5.598 -7.376 240 HG12 VAL 35 2HG1 VAL 35 3.962 7.276 -7.367 241 HG13 VAL 35 3HG1 VAL 35 2.825 6.735 -8.611 242 HG21 VAL 35 3HG2 VAL 35 0.004 6.694 -6.185 243 HG22 VAL 35 1HG2 VAL 35 0.851 5.254 -6.724 244 HG23 VAL 35 2HG2 VAL 35 0.362 6.480 -7.911 245 H ASP 36 H ASP 36 4.583 8.464 -4.898 246 HA ASP 36 HA ASP 36 3.020 10.905 -4.296 247 HB2 ASP 36 2HB ASP 36 5.111 11.659 -3.332 248 HB3 ASP 36 1HB ASP 36 4.506 10.181 -2.569 249 H ALA 37 H ALA 37 4.635 12.552 -4.724 250 HA ALA 37 HA ALA 37 3.314 12.892 -7.023 251 HB1 ALA 37 1HB ALA 37 3.590 14.321 -5.301 252 HB2 ALA 37 2HB ALA 37 4.048 15.176 -6.825 253 HB3 ALA 37 3HB ALA 37 5.294 14.596 -5.650 254 H GLU 38 H GLU 38 6.453 11.870 -6.156 255 HA GLU 38 HA GLU 38 7.837 12.501 -8.402 256 HB2 GLU 38 2HB GLU 38 8.198 10.742 -6.083 257 HB3 GLU 38 1HB GLU 38 9.551 11.121 -7.185 258 HG2 GLU 38 2HG GLU 38 8.070 12.861 -5.195 259 HG3 GLU 38 1HG GLU 38 9.781 12.453 -5.200 260 H GLN 39 H GLN 39 5.281 10.208 -7.711 261 HA GLN 39 HA GLN 39 4.466 8.566 -8.568 262 HB2 GLN 39 2HB GLN 39 6.572 9.212 -10.397 263 HB3 GLN 39 1HB GLN 39 5.544 7.791 -10.820 264 HG2 GLN 39 2HG GLN 39 3.618 9.339 -10.775 265 HG3 GLN 39 1HG GLN 39 4.696 10.646 -10.289 266 HE21 GLN 39 1HE2 GLN 39 6.040 11.550 -11.808 267 HE22 GLN 39 2HE2 GLN 39 5.826 11.302 -13.515 268 H LYS 40 H LYS 40 6.596 8.459 -6.590 269 HA LYS 40 HA LYS 40 7.646 5.848 -7.061 270 HB2 LYS 40 2HB LYS 40 9.181 6.430 -5.997 271 HB3 LYS 40 1HB LYS 40 8.490 8.081 -5.620 272 HG2 LYS 40 2HG LYS 40 9.287 7.290 -3.535 273 HG3 LYS 40 1HG LYS 40 7.651 6.652 -3.527 274 HD2 LYS 40 2HD LYS 40 8.447 4.466 -4.145 275 HD3 LYS 40 1HD LYS 40 10.081 5.084 -4.407 276 HE2 LYS 40 2HE LYS 40 9.935 3.946 -2.241 277 HE3 LYS 40 1HE LYS 40 10.252 5.663 -2.021 278 HZ1 LYS 40 3HZ LYS 40 7.812 5.931 -1.625 279 HZ2 LYS 40 1HZ LYS 40 8.500 4.992 -0.435 280 HZ3 LYS 40 2HZ LYS 40 7.647 4.285 -1.666 281 H ASN 41 H ASN 41 7.128 4.241 -6.271 282 HA ASN 41 HA ASN 41 4.530 4.082 -4.851 283 HB2 ASN 41 2HB ASN 41 4.751 3.586 -7.350 284 HB3 ASN 41 1HB ASN 41 5.655 2.189 -6.800 285 HD21 ASN 41 1HD2 ASN 41 2.464 3.625 -6.832 286 HD22 ASN 41 2HD2 ASN 41 1.587 2.190 -6.453 287 H LEU 42 H LEU 42 4.303 1.603 -4.223 288 HA LEU 42 HA LEU 42 6.663 0.271 -3.257 289 HB2 LEU 42 2HB LEU 42 4.646 1.399 -1.366 290 HB3 LEU 42 1HB LEU 42 5.791 0.155 -0.949 291 HG LEU 42 HG LEU 42 6.461 2.971 -1.703 292 HD11 LEU 42 1HD1 LEU 42 6.505 1.629 1.016 293 HD12 LEU 42 2HD1 LEU 42 5.151 2.553 0.420 294 HD13 LEU 42 3HD1 LEU 42 6.711 3.361 0.650 295 HD21 LEU 42 3HD2 LEU 42 8.682 2.400 -0.795 296 HD22 LEU 42 1HD2 LEU 42 8.273 1.392 -2.183 297 HD23 LEU 42 2HD2 LEU 42 8.147 0.737 -0.549 298 H PHE 43 H PHE 43 6.060 -1.819 -3.772 299 HA PHE 43 HA PHE 43 3.433 -2.595 -3.316 300 HB2 PHE 43 2HB PHE 43 5.941 -3.906 -4.210 301 HB3 PHE 43 1HB PHE 43 4.481 -4.885 -3.951 302 HD1 PHE 43 1HD PHE 43 2.441 -4.266 -5.353 303 HD2 PHE 43 2HD PHE 43 6.343 -2.797 -6.194 304 HE1 PHE 43 1HE PHE 43 1.733 -3.717 -7.642 305 HE2 PHE 43 2HE PHE 43 5.644 -2.243 -8.487 306 HZ PHE 43 HZ PHE 43 3.336 -2.704 -9.214 307 H LEU 44 H LEU 44 2.960 -4.174 -1.502 308 HA LEU 44 HA LEU 44 4.266 -3.480 0.681 309 HB2 LEU 44 2HB LEU 44 2.440 -5.820 0.208 310 HB3 LEU 44 1HB LEU 44 3.075 -5.465 1.793 311 HG LEU 44 HG LEU 44 1.281 -3.655 0.172 312 HD11 LEU 44 1HD1 LEU 44 0.148 -5.648 1.015 313 HD12 LEU 44 2HD1 LEU 44 -0.380 -4.204 1.877 314 HD13 LEU 44 3HD1 LEU 44 0.759 -5.317 2.636 315 HD21 LEU 44 3HD2 LEU 44 2.791 -2.390 1.605 316 HD22 LEU 44 1HD2 LEU 44 2.339 -3.396 2.982 317 HD23 LEU 44 2HD2 LEU 44 1.141 -2.348 2.226 318 H ARG 45 H ARG 45 5.300 -5.399 2.225 319 HA ARG 45 HA ARG 45 7.213 -6.666 0.587 320 HB2 ARG 45 2HB ARG 45 6.848 -6.190 3.419 321 HB3 ARG 45 1HB ARG 45 8.190 -7.264 2.894 322 HG2 ARG 45 2HG ARG 45 7.744 -4.283 2.437 323 HG3 ARG 45 1HG ARG 45 9.066 -5.034 3.321 324 HD2 ARG 45 2HD ARG 45 9.989 -4.316 1.246 325 HD3 ARG 45 1HD ARG 45 9.788 -6.058 1.099 326 HE ARG 45 HE ARG 45 7.500 -4.737 0.085 327 HH11 ARG 45 1HH1 ARG 45 10.860 -5.360 -0.829 328 HH12 ARG 45 2HH1 ARG 45 10.585 -5.237 -2.497 329 HH21 ARG 45 1HH2 ARG 45 7.103 -4.549 -2.132 330 HH22 ARG 45 2HH2 ARG 45 8.325 -4.751 -3.299 331 H LYS 46 H LYS 46 7.853 -8.899 1.133 332 HA LYS 46 HA LYS 46 5.724 -10.596 0.400 333 HB2 LYS 46 2HB LYS 46 8.339 -10.676 -0.033 334 HB3 LYS 46 1HB LYS 46 8.346 -11.597 1.445 335 HG2 LYS 46 2HG LYS 46 6.793 -12.370 -1.027 336 HG3 LYS 46 1HG LYS 46 8.392 -12.969 -0.622 337 HD2 LYS 46 2HD LYS 46 7.455 -13.952 1.446 338 HD3 LYS 46 1HD LYS 46 5.857 -13.385 0.961 339 HE2 LYS 46 2HE LYS 46 7.589 -15.319 -0.587 340 HE3 LYS 46 1HE LYS 46 6.194 -15.754 0.394 341 HZ1 LYS 46 3HZ LYS 46 4.811 -14.440 -1.050 342 HZ2 LYS 46 1HZ LYS 46 5.548 -15.665 -1.880 343 HZ3 LYS 46 2HZ LYS 46 6.100 -14.078 -2.102 344 H GLY 47 H GLY 47 4.276 -11.512 1.582 345 HA2 GLY 47 2HA GLY 47 3.542 -13.049 3.157 346 HA3 GLY 47 1HA GLY 47 5.023 -12.801 4.097 347 H LYS 48 H LYS 48 3.289 -10.062 2.935 348 HA LYS 48 HA LYS 48 2.338 -9.621 5.647 349 HB2 LYS 48 2HB LYS 48 3.066 -7.971 3.395 350 HB3 LYS 48 1HB LYS 48 1.603 -7.379 4.188 351 HG2 LYS 48 2HG LYS 48 3.201 -6.176 5.361 352 HG3 LYS 48 1HG LYS 48 3.115 -7.606 6.366 353 HD2 LYS 48 2HD LYS 48 5.201 -7.079 4.238 354 HD3 LYS 48 1HD LYS 48 5.436 -6.785 5.952 355 HE2 LYS 48 2HE LYS 48 5.003 -9.451 4.597 356 HE3 LYS 48 1HE LYS 48 6.521 -8.845 5.242 357 HZ1 LYS 48 3HZ LYS 48 5.485 -10.449 6.676 358 HZ2 LYS 48 1HZ LYS 48 4.095 -9.525 6.813 359 HZ3 LYS 48 2HZ LYS 48 5.557 -8.960 7.479 360 HA PRO 49 HA PRO 49 -1.712 -10.963 4.490 361 HB2 PRO 49 2HB PRO 49 -2.887 -8.931 6.272 362 HB3 PRO 49 1HB PRO 49 -2.954 -10.701 6.404 363 HG2 PRO 49 2HG PRO 49 -1.516 -9.263 8.106 364 HG3 PRO 49 1HG PRO 49 -0.971 -10.852 7.531 365 HD2 PRO 49 2HD PRO 49 -0.073 -8.140 6.661 366 HD3 PRO 49 1HD PRO 49 0.876 -9.609 6.982 367 H CYS 50 H CYS 50 -2.912 -10.494 2.760 368 HA CYS 50 HA CYS 50 -3.578 -7.744 2.264 369 HB2 CYS 50 2HB CYS 50 -3.398 -8.138 -0.152 370 HB3 CYS 50 1HB CYS 50 -1.888 -8.589 0.625 371 H THR 51 H THR 51 -5.411 -8.440 0.123 372 HA THR 51 HA THR 51 -7.774 -8.934 1.476 373 HB THR 51 HB THR 51 -8.560 -9.570 -0.920 374 HG1 THR 51 1HG THR 51 -6.143 -8.351 -1.643 375 HG21 THR 51 3HG2 THR 51 -8.822 -7.350 0.165 376 HG22 THR 51 1HG2 THR 51 -8.492 -7.252 -1.581 377 HG23 THR 51 2HG2 THR 51 -7.187 -6.970 -0.435 378 H VAL 52 H VAL 52 -6.402 -10.990 -0.884 379 HA VAL 52 HA VAL 52 -8.023 -13.223 -0.073 380 HB VAL 52 HB VAL 52 -7.146 -14.410 -2.029 381 HG11 VAL 52 1HG1 VAL 52 -8.058 -12.815 -3.719 382 HG12 VAL 52 2HG1 VAL 52 -8.079 -11.571 -2.453 383 HG13 VAL 52 3HG1 VAL 52 -9.077 -13.011 -2.293 384 HG21 VAL 52 3HG2 VAL 52 -5.598 -13.404 -3.551 385 HG22 VAL 52 1HG2 VAL 52 -4.851 -13.382 -1.964 386 HG23 VAL 52 2HG2 VAL 52 -5.553 -11.901 -2.661 387 H GLY 53 H GLY 53 -4.832 -12.346 0.746 388 HA2 GLY 53 2HA GLY 53 -4.484 -14.447 2.425 389 HA3 GLY 53 1HA GLY 53 -3.711 -14.887 0.892 390 H PHE 54 H PHE 54 -1.653 -14.419 0.807 391 HA PHE 54 HA PHE 54 -0.719 -12.173 2.444 392 HB2 PHE 54 2HB PHE 54 0.797 -14.674 1.677 393 HB3 PHE 54 1HB PHE 54 1.553 -13.275 2.430 394 HD1 PHE 54 1HD PHE 54 0.930 -12.627 4.725 395 HD2 PHE 54 2HD PHE 54 -0.475 -16.228 2.945 396 HE1 PHE 54 1HE PHE 54 0.341 -13.489 6.950 397 HE2 PHE 54 2HE PHE 54 -1.068 -17.098 5.168 398 HZ PHE 54 HZ PHE 54 -0.661 -15.727 7.175 399 H CYS 55 H CYS 55 0.921 -10.936 1.669 400 HA CYS 55 HA CYS 55 0.608 -10.372 -1.165 401 HB2 CYS 55 2HB CYS 55 0.175 -8.654 0.549 402 HB3 CYS 55 1HB CYS 55 1.841 -8.887 1.089 403 H ASP 56 H ASP 56 2.240 -10.766 -2.554 404 HA ASP 56 HA ASP 56 4.883 -11.257 -1.464 405 HB2 ASP 56 2HB ASP 56 4.011 -12.987 -3.005 406 HB3 ASP 56 1HB ASP 56 3.765 -11.763 -4.249 407 H MET 57 H MET 57 6.664 -10.300 -2.956 408 HA MET 57 HA MET 57 6.371 -7.459 -2.795 409 HB2 MET 57 2HB MET 57 8.627 -9.088 -3.950 410 HB3 MET 57 1HB MET 57 8.679 -7.351 -3.682 411 HG2 MET 57 2HG MET 57 8.320 -7.754 -1.273 412 HG3 MET 57 1HG MET 57 8.375 -9.484 -1.601 413 HE1 MET 57 3HE MET 57 12.090 -9.988 -2.762 414 HE2 MET 57 1HE MET 57 10.699 -9.687 -3.803 415 HE3 MET 57 2HE MET 57 10.549 -10.776 -2.424 416 H ASN 58 H ASN 58 5.764 -9.683 -5.251 417 HA ASN 58 HA ASN 58 6.036 -7.831 -7.460 418 HB2 ASN 58 2HB ASN 58 4.860 -10.610 -7.275 419 HB3 ASN 58 1HB ASN 58 4.873 -9.670 -8.760 420 HD21 ASN 58 1HD2 ASN 58 6.834 -11.417 -6.431 421 HD22 ASN 58 2HD2 ASN 58 8.228 -11.494 -7.448 422 H GLY 59 H GLY 59 3.860 -7.957 -5.016 423 HA2 GLY 59 2HA GLY 59 1.873 -6.751 -4.782 424 HA3 GLY 59 1HA GLY 59 1.911 -6.429 -6.515 425 H LYS 60 H LYS 60 2.378 -9.616 -5.703 426 HA LYS 60 HA LYS 60 -0.432 -10.377 -6.384 427 HB2 LYS 60 2HB LYS 60 2.233 -11.638 -6.899 428 HB3 LYS 60 1HB LYS 60 0.822 -12.640 -6.677 429 HG2 LYS 60 2HG LYS 60 1.279 -12.368 -9.057 430 HG3 LYS 60 1HG LYS 60 -0.239 -11.602 -8.594 431 HD2 LYS 60 2HD LYS 60 2.218 -9.899 -8.691 432 HD3 LYS 60 1HD LYS 60 1.506 -10.399 -10.225 433 HE2 LYS 60 2HE LYS 60 -0.583 -9.364 -9.661 434 HE3 LYS 60 1HE LYS 60 -0.047 -9.066 -8.013 435 HZ1 LYS 60 3HZ LYS 60 0.938 -7.714 -10.476 436 HZ2 LYS 60 1HZ LYS 60 1.638 -7.541 -8.919 437 HZ3 LYS 60 2HZ LYS 60 0.028 -7.106 -9.192 438 H CYS 61 H CYS 61 -1.383 -11.790 -5.390 439 HA CYS 61 HA CYS 61 -0.486 -12.018 -2.654 440 HB2 CYS 61 2HB CYS 61 -2.949 -11.577 -4.050 441 HB3 CYS 61 1HB CYS 61 -3.125 -12.457 -2.491 442 H GLU 62 H GLU 62 -0.546 -13.934 -1.676 443 HA GLU 62 HA GLU 62 -0.832 -16.250 -3.336 444 HB2 GLU 62 2HB GLU 62 1.071 -17.166 -2.042 445 HB3 GLU 62 1HB GLU 62 1.462 -15.634 -2.819 446 HG2 GLU 62 2HG GLU 62 0.933 -14.547 -0.572 447 HG3 GLU 62 1HG GLU 62 1.028 -16.174 0.094 Start of MODEL 7 1 H PHE 1 1HT PHE 1 7.152 5.831 3.196 2 HA PHE 1 HA PHE 1 6.043 4.405 1.860 3 HB2 PHE 1 2HB PHE 1 4.432 3.528 4.280 4 HB3 PHE 1 1HB PHE 1 4.168 2.992 2.644 5 HD1 PHE 1 1HD PHE 1 6.322 2.938 5.449 6 HD2 PHE 1 2HD PHE 1 5.364 1.126 1.771 7 HE1 PHE 1 1HE PHE 1 7.820 0.987 6.039 8 HE2 PHE 1 2HE PHE 1 6.818 -0.797 2.283 9 HZ PHE 1 HZ PHE 1 8.050 -0.872 4.424 10 H CYS 2 H CYS 2 4.039 5.293 4.603 11 HA CYS 2 HA CYS 2 2.759 7.097 2.732 12 HB2 CYS 2 2HB CYS 2 1.427 5.149 3.441 13 HB3 CYS 2 1HB CYS 2 1.460 5.779 5.087 14 H GLU 3 H GLU 3 3.822 6.701 6.037 15 HA GLU 3 HA GLU 3 2.914 8.963 7.309 16 HB2 GLU 3 2HB GLU 3 5.561 8.584 8.254 17 HB3 GLU 3 1HB GLU 3 4.072 8.065 9.003 18 HG2 GLU 3 2HG GLU 3 5.798 6.278 8.777 19 HG3 GLU 3 1HG GLU 3 4.260 5.881 8.027 20 H ARG 4 H ARG 4 6.290 8.759 6.165 21 HA ARG 4 HA ARG 4 6.584 11.526 6.258 22 HB2 ARG 4 2HB ARG 4 8.471 10.007 6.541 23 HB3 ARG 4 1HB ARG 4 8.275 9.414 4.912 24 HG2 ARG 4 2HG ARG 4 8.899 12.315 5.284 25 HG3 ARG 4 1HG ARG 4 10.183 11.159 5.596 26 HD2 ARG 4 2HD ARG 4 10.563 11.764 3.353 27 HD3 ARG 4 1HD ARG 4 9.631 10.288 3.175 28 HE ARG 4 HE ARG 4 7.989 12.631 3.153 29 HH11 ARG 4 1HH1 ARG 4 9.991 10.595 0.995 30 HH12 ARG 4 2HH1 ARG 4 9.158 11.120 -0.413 31 HH21 ARG 4 1HH2 ARG 4 6.932 13.316 1.143 32 HH22 ARG 4 2HH2 ARG 4 7.434 12.655 -0.335 33 H GLU 5 H GLU 5 5.780 9.248 3.850 34 HA GLU 5 HA GLU 5 6.611 10.895 1.704 35 HB2 GLU 5 2HB GLU 5 5.188 8.294 1.525 36 HB3 GLU 5 1HB GLU 5 6.224 9.040 0.299 37 HG2 GLU 5 2HG GLU 5 8.047 8.903 2.268 38 HG3 GLU 5 1HG GLU 5 6.911 7.661 2.819 39 H GLN 6 H GLN 6 3.445 10.276 3.109 40 HA GLN 6 HA GLN 6 2.334 12.026 0.989 41 HB2 GLN 6 2HB GLN 6 0.965 9.869 2.563 42 HB3 GLN 6 1HB GLN 6 0.239 10.917 1.356 43 HG2 GLN 6 2HG GLN 6 2.449 8.987 0.785 44 HG3 GLN 6 1HG GLN 6 0.671 8.679 0.686 45 HE21 GLN 6 1HE2 GLN 6 3.272 10.690 -0.639 46 HE22 GLN 6 2HE2 GLN 6 2.467 10.910 -2.153 47 H GLN 7 H GLN 7 3.005 11.490 4.288 48 HA GLN 7 HA GLN 7 2.433 12.130 6.112 49 HB2 GLN 7 2HB GLN 7 1.328 14.551 4.681 50 HB3 GLN 7 1HB GLN 7 1.523 14.477 6.431 51 HG2 GLN 7 2HG GLN 7 3.895 14.144 6.193 52 HG3 GLN 7 1HG GLN 7 3.733 14.085 4.445 53 HE21 GLN 7 1HE2 GLN 7 1.951 16.332 6.428 54 HE22 GLN 7 2HE2 GLN 7 2.799 17.756 5.913 55 H LEU 8 H LEU 8 0.695 10.534 4.625 56 HA LEU 8 HA LEU 8 -2.039 10.922 5.721 57 HB2 LEU 8 2HB LEU 8 -1.005 9.170 3.513 58 HB3 LEU 8 1HB LEU 8 -2.650 9.199 4.109 59 HG LEU 8 HG LEU 8 -1.293 11.557 3.000 60 HD11 LEU 8 1HD1 LEU 8 -3.097 9.578 1.526 61 HD12 LEU 8 2HD1 LEU 8 -1.360 9.730 1.266 62 HD13 LEU 8 3HD1 LEU 8 -2.442 11.058 0.821 63 HD21 LEU 8 3HD2 LEU 8 -3.236 12.082 4.296 64 HD22 LEU 8 1HD2 LEU 8 -4.203 10.901 3.412 65 HD23 LEU 8 2HD2 LEU 8 -3.618 12.351 2.597 66 H GLU 9 H GLU 9 -2.987 8.968 6.036 67 HA GLU 9 HA GLU 9 -1.516 7.417 8.055 68 HB2 GLU 9 2HB GLU 9 -4.009 8.287 8.155 69 HB3 GLU 9 1HB GLU 9 -4.177 6.926 7.029 70 HG2 GLU 9 2HG GLU 9 -3.574 5.342 8.665 71 HG3 GLU 9 1HG GLU 9 -3.231 6.619 9.844 72 H SER 10 H SER 10 -1.015 5.279 7.626 73 HA SER 10 HA SER 10 -0.929 4.453 4.949 74 HB2 SER 10 2HB SER 10 0.148 2.596 5.913 75 HB3 SER 10 1HB SER 10 0.681 4.220 6.559 76 HG SER 10 HG SER 10 -1.304 2.990 8.000 77 H CYS 11 H CYS 11 -2.083 2.535 4.174 78 HA CYS 11 HA CYS 11 -3.920 1.216 5.933 79 HB2 CYS 11 2HB CYS 11 -6.024 1.919 4.974 80 HB3 CYS 11 1HB CYS 11 -5.131 3.417 5.070 81 H ALA 12 H ALA 12 -5.270 -0.389 4.436 82 HA ALA 12 HA ALA 12 -3.534 -1.240 2.248 83 HB1 ALA 12 1HB ALA 12 -3.310 -2.786 4.152 84 HB2 ALA 12 2HB ALA 12 -4.145 -3.564 2.809 85 HB3 ALA 12 3HB ALA 12 -5.062 -2.984 4.199 86 H CYS 13 H CYS 13 -4.593 -1.394 0.370 87 HA CYS 13 HA CYS 13 -7.288 -0.562 0.220 88 HB2 CYS 13 2HB CYS 13 -5.440 -1.714 -1.871 89 HB3 CYS 13 1HB CYS 13 -7.017 -1.035 -2.207 90 H ASN 14 H ASN 14 -9.069 -1.612 0.296 91 HA ASN 14 HA ASN 14 -9.367 -4.268 1.078 92 HB2 ASN 14 2HB ASN 14 -11.057 -2.454 1.372 93 HB3 ASN 14 1HB ASN 14 -11.374 -2.539 -0.358 94 HD21 ASN 14 1HD2 ASN 14 -12.664 -4.236 -1.161 95 HD22 ASN 14 2HD2 ASN 14 -13.495 -5.316 -0.095 96 H GLU 15 H GLU 15 -9.038 -2.937 -2.108 97 HA GLU 15 HA GLU 15 -10.172 -4.942 -3.536 98 HB2 GLU 15 2HB GLU 15 -9.575 -2.636 -4.365 99 HB3 GLU 15 1HB GLU 15 -7.892 -3.123 -4.321 100 HG2 GLU 15 2HG GLU 15 -9.941 -4.456 -6.076 101 HG3 GLU 15 1HG GLU 15 -8.951 -3.093 -6.593 102 H THR 16 H THR 16 -9.134 -6.846 -4.408 103 HA THR 16 HA THR 16 -7.548 -8.295 -2.700 104 HB THR 16 HB THR 16 -8.083 -8.664 -5.631 105 HG1 THR 16 1HG THR 16 -9.502 -8.990 -3.362 106 HG21 THR 16 3HG2 THR 16 -7.386 -10.993 -5.345 107 HG22 THR 16 1HG2 THR 16 -7.068 -10.713 -3.627 108 HG23 THR 16 2HG2 THR 16 -6.070 -9.918 -4.838 109 H ASP 17 H ASP 17 -6.488 -6.800 -5.734 110 HA ASP 17 HA ASP 17 -3.918 -7.895 -5.305 111 HB2 ASP 17 2HB ASP 17 -4.726 -7.607 -7.551 112 HB3 ASP 17 1HB ASP 17 -4.915 -5.873 -7.204 113 H ASN 18 H ASN 18 -5.510 -4.784 -4.919 114 HA ASN 18 HA ASN 18 -3.071 -3.464 -4.411 115 HB2 ASN 18 2HB ASN 18 -5.913 -2.531 -4.447 116 HB3 ASN 18 1HB ASN 18 -4.635 -1.502 -3.799 117 HD21 ASN 18 1HD2 ASN 18 -5.763 -3.182 -6.666 118 HD22 ASN 18 2HD2 ASN 18 -4.871 -2.229 -7.793 119 H SER 19 H SER 19 -4.671 -5.541 -2.577 120 HA SER 19 HA SER 19 -4.227 -4.280 -0.039 121 HB2 SER 19 2HB SER 19 -4.298 -7.271 -0.663 122 HB3 SER 19 1HB SER 19 -4.412 -6.567 0.920 123 HG SER 19 HG SER 19 -6.213 -5.360 -0.552 124 H CYS 20 H CYS 20 -2.215 -5.512 -2.440 125 HA CYS 20 HA CYS 20 0.017 -5.813 -0.586 126 HB2 CYS 20 2HB CYS 20 -0.349 -6.727 -3.415 127 HB3 CYS 20 1HB CYS 20 1.122 -7.020 -2.506 128 H LYS 21 H LYS 21 -1.277 -3.303 -1.998 129 HA LYS 21 HA LYS 21 1.298 -1.975 -2.545 130 HB2 LYS 21 2HB LYS 21 -1.464 -1.604 -3.674 131 HB3 LYS 21 1HB LYS 21 -0.246 -0.337 -3.694 132 HG2 LYS 21 2HG LYS 21 -0.193 -1.271 -5.846 133 HG3 LYS 21 1HG LYS 21 1.176 -1.957 -4.952 134 HD2 LYS 21 2HD LYS 21 -0.051 -4.038 -4.634 135 HD3 LYS 21 1HD LYS 21 -1.442 -3.351 -5.485 136 HE2 LYS 21 2HE LYS 21 -0.132 -3.098 -7.507 137 HE3 LYS 21 1HE LYS 21 1.299 -3.703 -6.682 138 HZ1 LYS 21 3HZ LYS 21 0.290 -5.455 -8.008 139 HZ2 LYS 21 1HZ LYS 21 -1.187 -5.222 -7.271 140 HZ3 LYS 21 2HZ LYS 21 0.084 -5.844 -6.389 141 H VAL 22 H VAL 22 1.604 -0.195 -2.055 142 HA VAL 22 HA VAL 22 0.859 0.160 0.653 143 HB VAL 22 HB VAL 22 2.640 1.785 -1.130 144 HG11 VAL 22 1HG1 VAL 22 1.685 3.037 0.659 145 HG12 VAL 22 2HG1 VAL 22 3.429 2.804 0.898 146 HG13 VAL 22 3HG1 VAL 22 2.247 1.859 1.853 147 HG21 VAL 22 3HG2 VAL 22 3.207 -0.399 0.908 148 HG22 VAL 22 1HG2 VAL 22 4.450 0.574 0.116 149 HG23 VAL 22 2HG2 VAL 22 3.360 -0.539 -0.802 150 H CYS 23 H CYS 23 -0.924 0.813 0.860 151 HA CYS 23 HA CYS 23 -1.964 3.133 -0.629 152 HB2 CYS 23 2HB CYS 23 -3.507 1.426 1.269 153 HB3 CYS 23 1HB CYS 23 -4.067 2.604 0.062 154 H CYS 24 H CYS 24 -3.337 4.628 0.572 155 HA CYS 24 HA CYS 24 -2.355 5.326 3.176 156 HB2 CYS 24 2HB CYS 24 -2.388 6.969 0.658 157 HB3 CYS 24 1HB CYS 24 -2.374 7.691 2.266 158 H ARG 25 H ARG 25 -3.887 6.975 4.088 159 HA ARG 25 HA ARG 25 -6.526 6.171 3.162 160 HB2 ARG 25 2HB ARG 25 -5.424 5.310 5.397 161 HB3 ARG 25 1HB ARG 25 -5.850 6.915 5.951 162 HG2 ARG 25 2HG ARG 25 -7.939 5.426 4.609 163 HG3 ARG 25 1HG ARG 25 -7.440 4.814 6.198 164 HD2 ARG 25 2HD ARG 25 -8.351 7.635 5.509 165 HD3 ARG 25 1HD ARG 25 -9.331 6.427 6.346 166 HE ARG 25 HE ARG 25 -7.185 6.576 7.928 167 HH11 ARG 25 1HH1 ARG 25 -9.071 9.206 6.495 168 HH12 ARG 25 2HH1 ARG 25 -8.973 10.227 7.855 169 HH21 ARG 25 1HH2 ARG 25 -6.941 7.950 9.733 170 HH22 ARG 25 2HH2 ARG 25 -7.672 9.478 9.815 171 H ASP 26 H ASP 26 -7.813 7.793 2.628 172 HA ASP 26 HA ASP 26 -6.687 10.437 2.808 173 HB2 ASP 26 2HB ASP 26 -7.870 10.924 0.879 174 HB3 ASP 26 1HB ASP 26 -7.618 9.195 0.653 175 H LEU 27 H LEU 27 -8.689 11.864 2.647 176 HA LEU 27 HA LEU 27 -9.423 12.194 5.280 177 HB2 LEU 27 2HB LEU 27 -10.598 13.772 3.030 178 HB3 LEU 27 1HB LEU 27 -10.392 14.297 4.691 179 HG LEU 27 HG LEU 27 -7.831 13.838 3.998 180 HD11 LEU 27 1HD1 LEU 27 -8.334 13.191 1.725 181 HD12 LEU 27 2HD1 LEU 27 -7.399 14.685 1.754 182 HD13 LEU 27 3HD1 LEU 27 -9.135 14.734 1.447 183 HD21 LEU 27 3HD2 LEU 27 -8.671 15.895 5.009 184 HD22 LEU 27 1HD2 LEU 27 -9.380 16.376 3.466 185 HD23 LEU 27 2HD2 LEU 27 -7.628 16.268 3.636 186 H SER 28 H SER 28 -11.148 11.014 2.479 187 HA SER 28 HA SER 28 -13.682 11.184 3.697 188 HB2 SER 28 2HB SER 28 -13.327 11.296 1.221 189 HB3 SER 28 1HB SER 28 -12.790 9.622 1.241 190 HG SER 28 HG SER 28 -15.329 10.682 1.830 191 H GLY 29 H GLY 29 -10.976 9.197 3.781 192 HA2 GLY 29 2HA GLY 29 -10.532 7.572 5.061 193 HA3 GLY 29 1HA GLY 29 -12.237 7.270 5.470 194 H ARG 30 H ARG 30 -10.710 7.418 2.270 195 HA ARG 30 HA ARG 30 -11.395 4.622 1.785 196 HB2 ARG 30 2HB ARG 30 -11.006 7.020 0.003 197 HB3 ARG 30 1HB ARG 30 -10.711 5.423 -0.633 198 HG2 ARG 30 2HG ARG 30 -12.901 6.220 -1.292 199 HG3 ARG 30 1HG ARG 30 -13.060 4.832 -0.234 200 HD2 ARG 30 2HD ARG 30 -13.304 7.659 0.767 201 HD3 ARG 30 1HD ARG 30 -14.676 6.786 0.091 202 HE ARG 30 HE ARG 30 -13.290 5.390 2.178 203 HH11 ARG 30 1HH1 ARG 30 -15.708 7.869 1.612 204 HH12 ARG 30 2HH1 ARG 30 -16.593 7.573 3.036 205 HH21 ARG 30 1HH2 ARG 30 -14.424 4.971 4.145 206 HH22 ARG 30 2HH2 ARG 30 -15.830 5.851 4.545 207 H CYS 31 H CYS 31 -9.723 3.691 0.157 208 HA CYS 31 HA CYS 31 -7.093 4.337 1.182 209 HB2 CYS 31 2HB CYS 31 -8.305 1.739 0.382 210 HB3 CYS 31 1HB CYS 31 -6.565 1.968 0.227 211 H VAL 32 H VAL 32 -5.858 5.333 -0.063 212 HA VAL 32 HA VAL 32 -6.186 4.979 -2.829 213 HB VAL 32 HB VAL 32 -4.831 7.261 -2.894 214 HG11 VAL 32 1HG1 VAL 32 -7.764 7.032 -2.242 215 HG12 VAL 32 2HG1 VAL 32 -6.979 6.820 -3.815 216 HG13 VAL 32 3HG1 VAL 32 -6.978 8.415 -3.042 217 HG21 VAL 32 3HG2 VAL 32 -4.661 7.166 -0.355 218 HG22 VAL 32 1HG2 VAL 32 -6.359 7.615 -0.284 219 HG23 VAL 32 2HG2 VAL 32 -5.196 8.715 -1.028 220 HA PRO 33 HA PRO 33 -2.111 3.181 -2.728 221 HB2 PRO 33 2HB PRO 33 -1.395 3.694 -5.337 222 HB3 PRO 33 1HB PRO 33 -2.490 2.373 -4.879 223 HG2 PRO 33 2HG PRO 33 -3.167 5.064 -5.949 224 HG3 PRO 33 1HG PRO 33 -3.886 3.485 -6.327 225 HD2 PRO 33 2HD PRO 33 -5.122 5.212 -4.641 226 HD3 PRO 33 1HD PRO 33 -5.176 3.453 -4.415 227 H TYR 34 H TYR 34 -0.221 4.090 -1.934 228 HA TYR 34 HA TYR 34 0.098 6.892 -1.935 229 HB2 TYR 34 2HB TYR 34 1.299 6.309 -0.217 230 HB3 TYR 34 1HB TYR 34 1.407 4.616 -0.724 231 HD1 TYR 34 1HD TYR 34 3.055 8.048 -1.224 232 HD2 TYR 34 2HD TYR 34 3.683 3.751 -1.370 233 HE1 TYR 34 1HE TYR 34 5.233 8.334 -1.544 234 HE2 TYR 34 2HE TYR 34 5.992 4.235 -1.718 235 HH TYR 34 HH TYR 34 7.454 6.805 -1.038 236 H VAL 35 H VAL 35 1.260 8.346 -3.216 237 HA VAL 35 HA VAL 35 3.327 7.229 -4.833 238 HB VAL 35 HB VAL 35 2.194 9.506 -5.992 239 HG11 VAL 35 1HG1 VAL 35 2.701 6.804 -7.104 240 HG12 VAL 35 2HG1 VAL 35 3.752 8.227 -7.034 241 HG13 VAL 35 3HG1 VAL 35 2.316 8.250 -8.064 242 HG21 VAL 35 3HG2 VAL 35 0.104 8.620 -7.000 243 HG22 VAL 35 1HG2 VAL 35 0.014 8.745 -5.241 244 HG23 VAL 35 2HG2 VAL 35 0.267 7.172 -6.001 245 H ASP 36 H ASP 36 5.111 8.416 -4.549 246 HA ASP 36 HA ASP 36 4.715 11.143 -3.452 247 HB2 ASP 36 2HB ASP 36 5.583 10.058 -1.679 248 HB3 ASP 36 1HB ASP 36 6.744 9.052 -2.595 249 H ALA 37 H ALA 37 6.130 12.360 -3.664 250 HA ALA 37 HA ALA 37 5.130 13.454 -5.747 251 HB1 ALA 37 1HB ALA 37 6.344 14.289 -4.002 252 HB2 ALA 37 2HB ALA 37 6.616 15.233 -5.506 253 HB3 ALA 37 3HB ALA 37 7.871 14.112 -4.865 254 H GLU 38 H GLU 38 7.962 11.457 -6.166 255 HA GLU 38 HA GLU 38 8.666 12.203 -8.684 256 HB2 GLU 38 2HB GLU 38 9.113 9.916 -6.913 257 HB3 GLU 38 1HB GLU 38 10.050 10.092 -8.419 258 HG2 GLU 38 2HG GLU 38 10.054 11.806 -5.919 259 HG3 GLU 38 1HG GLU 38 11.378 10.820 -6.532 260 H GLN 39 H GLN 39 5.841 10.661 -7.546 261 HA GLN 39 HA GLN 39 4.269 9.558 -8.250 262 HB2 GLN 39 2HB GLN 39 5.894 9.762 -10.605 263 HB3 GLN 39 1HB GLN 39 4.247 9.024 -10.767 264 HG2 GLN 39 2HG GLN 39 5.097 11.758 -9.859 265 HG3 GLN 39 1HG GLN 39 4.274 11.450 -11.410 266 HE21 GLN 39 1HE2 GLN 39 3.603 13.235 -9.243 267 HE22 GLN 39 2HE2 GLN 39 2.034 12.754 -8.666 268 H LYS 40 H LYS 40 6.472 8.474 -6.983 269 HA LYS 40 HA LYS 40 6.673 5.795 -7.939 270 HB2 LYS 40 2HB LYS 40 8.218 5.521 -6.211 271 HB3 LYS 40 1HB LYS 40 8.446 7.028 -7.219 272 HG2 LYS 40 2HG LYS 40 7.685 8.371 -5.398 273 HG3 LYS 40 1HG LYS 40 7.445 6.911 -4.419 274 HD2 LYS 40 2HD LYS 40 9.776 6.435 -4.355 275 HD3 LYS 40 1HD LYS 40 10.124 7.612 -5.618 276 HE2 LYS 40 2HE LYS 40 10.833 8.467 -3.475 277 HE3 LYS 40 1HE LYS 40 9.479 9.414 -4.079 278 HZ1 LYS 40 3HZ LYS 40 8.114 7.746 -2.573 279 HZ2 LYS 40 1HZ LYS 40 8.889 9.099 -1.951 280 HZ3 LYS 40 2HZ LYS 40 9.549 7.583 -1.764 281 H ASN 41 H ASN 41 5.940 4.078 -6.989 282 HA ASN 41 HA ASN 41 4.078 4.263 -4.743 283 HB2 ASN 41 2HB ASN 41 2.982 4.101 -7.023 284 HB3 ASN 41 1HB ASN 41 3.987 2.664 -7.225 285 HD21 ASN 41 1HD2 ASN 41 1.363 3.949 -5.209 286 HD22 ASN 41 2HD2 ASN 41 0.615 2.413 -4.920 287 H LEU 42 H LEU 42 3.716 1.571 -4.437 288 HA LEU 42 HA LEU 42 6.309 0.245 -4.311 289 HB2 LEU 42 2HB LEU 42 4.794 0.963 -1.850 290 HB3 LEU 42 1HB LEU 42 6.174 -0.102 -1.918 291 HG LEU 42 HG LEU 42 6.241 2.760 -2.651 292 HD11 LEU 42 1HD1 LEU 42 7.131 3.058 -0.281 293 HD12 LEU 42 2HD1 LEU 42 6.706 1.356 0.007 294 HD13 LEU 42 3HD1 LEU 42 5.446 2.526 -0.395 295 HD21 LEU 42 3HD2 LEU 42 8.410 0.809 -1.845 296 HD22 LEU 42 1HD2 LEU 42 8.665 2.519 -2.188 297 HD23 LEU 42 2HD2 LEU 42 8.126 1.436 -3.470 298 H PHE 43 H PHE 43 6.089 -1.917 -3.767 299 HA PHE 43 HA PHE 43 3.491 -2.923 -3.592 300 HB2 PHE 43 2HB PHE 43 6.206 -4.036 -4.025 301 HB3 PHE 43 1HB PHE 43 4.781 -5.088 -3.939 302 HD1 PHE 43 2HD PHE 43 3.035 -4.796 -5.772 303 HD2 PHE 43 1HD PHE 43 6.874 -2.973 -5.963 304 HE1 PHE 43 2HE PHE 43 2.764 -4.478 -8.199 305 HE2 PHE 43 1HE PHE 43 6.608 -2.653 -8.385 306 HZ PHE 43 HZ PHE 43 4.550 -3.406 -9.505 307 H LEU 44 H LEU 44 2.930 -3.869 -1.537 308 HA LEU 44 HA LEU 44 4.337 -3.182 0.579 309 HB2 LEU 44 2HB LEU 44 2.025 -4.985 0.216 310 HB3 LEU 44 1HB LEU 44 2.825 -5.018 1.772 311 HG LEU 44 HG LEU 44 1.655 -2.529 0.497 312 HD11 LEU 44 1HD1 LEU 44 -0.074 -4.136 1.134 313 HD12 LEU 44 2HD1 LEU 44 -0.071 -2.738 2.211 314 HD13 LEU 44 3HD1 LEU 44 0.637 -4.263 2.743 315 HD21 LEU 44 3HD2 LEU 44 2.721 -3.030 3.276 316 HD22 LEU 44 1HD2 LEU 44 2.003 -1.533 2.693 317 HD23 LEU 44 2HD2 LEU 44 3.544 -2.088 2.040 318 H ARG 45 H ARG 45 4.694 -5.129 2.389 319 HA ARG 45 HA ARG 45 7.072 -6.329 1.594 320 HB2 ARG 45 2HB ARG 45 5.325 -6.451 3.919 321 HB3 ARG 45 1HB ARG 45 6.942 -7.252 3.952 322 HG2 ARG 45 2HG ARG 45 6.152 -4.310 3.837 323 HG3 ARG 45 1HG ARG 45 7.043 -5.117 5.120 324 HD2 ARG 45 2HD ARG 45 8.078 -4.669 2.306 325 HD3 ARG 45 1HD ARG 45 8.441 -3.647 3.686 326 HE ARG 45 HE ARG 45 9.149 -6.215 4.402 327 HH11 ARG 45 1HH1 ARG 45 10.142 -3.833 1.969 328 HH12 ARG 45 2HH1 ARG 45 11.764 -4.317 1.891 329 HH21 ARG 45 1HH2 ARG 45 11.456 -6.921 4.327 330 HH22 ARG 45 2HH2 ARG 45 12.525 -6.136 3.280 331 H LYS 46 H LYS 46 7.495 -8.673 2.048 332 HA LYS 46 HA LYS 46 5.561 -10.109 0.425 333 HB2 LYS 46 2HB LYS 46 8.514 -10.510 0.885 334 HB3 LYS 46 1HB LYS 46 7.524 -11.701 0.056 335 HG2 LYS 46 2HG LYS 46 8.673 -10.323 -1.561 336 HG3 LYS 46 1HG LYS 46 6.941 -10.011 -1.650 337 HD2 LYS 46 2HD LYS 46 7.450 -7.985 -0.139 338 HD3 LYS 46 1HD LYS 46 9.141 -8.264 -0.554 339 HE2 LYS 46 2HE LYS 46 8.227 -6.604 -2.056 340 HE3 LYS 46 1HE LYS 46 8.527 -8.088 -2.958 341 HZ1 LYS 46 3HZ LYS 46 6.387 -7.236 -3.587 342 HZ2 LYS 46 1HZ LYS 46 5.898 -7.112 -1.965 343 HZ3 LYS 46 2HZ LYS 46 6.134 -8.628 -2.682 344 H GLY 47 H GLY 47 4.686 -12.007 0.841 345 HA2 GLY 47 2HA GLY 47 3.751 -13.687 2.044 346 HA3 GLY 47 1HA GLY 47 5.272 -13.790 2.979 347 H LYS 48 H LYS 48 2.916 -11.270 2.450 348 HA LYS 48 HA LYS 48 2.458 -11.227 5.341 349 HB2 LYS 48 2HB LYS 48 2.825 -9.217 3.287 350 HB3 LYS 48 1HB LYS 48 2.124 -8.686 4.854 351 HG2 LYS 48 2HG LYS 48 4.849 -9.938 4.307 352 HG3 LYS 48 1HG LYS 48 4.561 -8.263 4.771 353 HD2 LYS 48 2HD LYS 48 4.073 -8.815 6.966 354 HD3 LYS 48 1HD LYS 48 3.620 -10.469 6.595 355 HE2 LYS 48 2HE LYS 48 6.418 -9.351 6.481 356 HE3 LYS 48 1HE LYS 48 5.759 -10.325 7.795 357 HZ1 LYS 48 3HZ LYS 48 6.968 -11.818 6.377 358 HZ2 LYS 48 1HZ LYS 48 6.236 -11.204 4.977 359 HZ3 LYS 48 2HZ LYS 48 5.330 -12.077 6.041 360 HA PRO 49 HA PRO 49 -1.853 -11.836 4.832 361 HB2 PRO 49 2HB PRO 49 -2.286 -9.402 6.491 362 HB3 PRO 49 1HB PRO 49 -2.901 -11.051 6.731 363 HG2 PRO 49 2HG PRO 49 -0.955 -10.165 8.244 364 HG3 PRO 49 1HG PRO 49 -0.930 -11.827 7.621 365 HD2 PRO 49 2HD PRO 49 0.641 -9.466 6.711 366 HD3 PRO 49 1HD PRO 49 1.120 -11.170 6.865 367 H CYS 50 H CYS 50 -3.291 -11.372 3.355 368 HA CYS 50 HA CYS 50 -3.876 -8.735 2.544 369 HB2 CYS 50 2HB CYS 50 -2.227 -8.985 0.988 370 HB3 CYS 50 1HB CYS 50 -2.381 -10.753 0.845 371 H THR 51 H THR 51 -5.555 -9.365 0.510 372 HA THR 51 HA THR 51 -7.907 -10.117 1.746 373 HB THR 51 HB THR 51 -8.713 -10.287 -0.691 374 HG1 THR 51 1HG THR 51 -6.306 -9.094 -1.459 375 HG21 THR 51 3HG2 THR 51 -8.660 -8.203 0.783 376 HG22 THR 51 1HG2 THR 51 -8.574 -7.924 -0.978 377 HG23 THR 51 2HG2 THR 51 -7.101 -7.884 -0.028 378 H VAL 52 H VAL 52 -6.436 -11.772 -0.889 379 HA VAL 52 HA VAL 52 -7.981 -14.158 -0.325 380 HB VAL 52 HB VAL 52 -7.317 -14.982 -2.486 381 HG11 VAL 52 1HG1 VAL 52 -9.172 -13.457 -2.436 382 HG12 VAL 52 2HG1 VAL 52 -8.213 -13.105 -3.886 383 HG13 VAL 52 3HG1 VAL 52 -8.089 -12.068 -2.468 384 HG21 VAL 52 3HG2 VAL 52 -4.958 -14.111 -2.434 385 HG22 VAL 52 1HG2 VAL 52 -5.576 -12.516 -2.787 386 HG23 VAL 52 2HG2 VAL 52 -5.764 -13.799 -3.973 387 H GLY 53 H GLY 53 -4.964 -13.148 0.625 388 HA2 GLY 53 2HA GLY 53 -4.274 -15.344 1.931 389 HA3 GLY 53 1HA GLY 53 -3.560 -15.574 0.325 390 H PHE 54 H PHE 54 -1.530 -14.940 0.239 391 HA PHE 54 HA PHE 54 -0.709 -12.774 2.005 392 HB2 PHE 54 2HB PHE 54 1.581 -13.733 1.938 393 HB3 PHE 54 1HB PHE 54 0.285 -14.889 2.369 394 HD1 PHE 54 1HD PHE 54 2.180 -13.829 -0.689 395 HD2 PHE 54 2HD PHE 54 0.435 -16.992 1.564 396 HE1 PHE 54 1HE PHE 54 3.041 -15.459 -2.316 397 HE2 PHE 54 2HE PHE 54 1.284 -18.623 -0.068 398 HZ PHE 54 HZ PHE 54 2.589 -17.859 -2.008 399 H CYS 55 H CYS 55 0.859 -11.369 1.273 400 HA CYS 55 HA CYS 55 0.656 -10.618 -1.516 401 HB2 CYS 55 2HB CYS 55 2.090 -9.415 0.843 402 HB3 CYS 55 1HB CYS 55 2.212 -8.758 -0.787 403 H ASP 56 H ASP 56 2.031 -11.282 -2.964 404 HA ASP 56 HA ASP 56 4.002 -13.090 -2.033 405 HB2 ASP 56 2HB ASP 56 4.173 -13.900 -4.277 406 HB3 ASP 56 1HB ASP 56 2.481 -13.460 -4.064 407 H MET 57 H MET 57 5.970 -12.969 -4.132 408 HA MET 57 HA MET 57 7.845 -11.321 -3.093 409 HB2 MET 57 2HB MET 57 8.265 -13.444 -4.066 410 HB3 MET 57 1HB MET 57 7.518 -12.956 -5.578 411 HG2 MET 57 2HG MET 57 9.825 -12.982 -5.803 412 HG3 MET 57 1HG MET 57 9.146 -11.332 -5.862 413 HE1 MET 57 3HE MET 57 12.741 -10.814 -4.181 414 HE2 MET 57 1HE MET 57 11.707 -10.364 -5.537 415 HE3 MET 57 2HE MET 57 12.332 -12.009 -5.412 416 H ASN 58 H ASN 58 5.606 -11.041 -5.841 417 HA ASN 58 HA ASN 58 6.889 -8.616 -6.737 418 HB2 ASN 58 2HB ASN 58 5.807 -10.034 -8.403 419 HB3 ASN 58 1HB ASN 58 4.273 -9.909 -7.547 420 HD21 ASN 58 1HD2 ASN 58 6.542 -8.271 -9.598 421 HD22 ASN 58 2HD2 ASN 58 5.494 -6.961 -10.025 422 H GLY 59 H GLY 59 3.717 -9.432 -5.367 423 HA2 GLY 59 2HA GLY 59 3.004 -7.873 -3.500 424 HA3 GLY 59 1HA GLY 59 3.400 -6.591 -4.662 425 H LYS 60 H LYS 60 1.963 -9.710 -5.102 426 HA LYS 60 HA LYS 60 -0.730 -8.645 -5.712 427 HB2 LYS 60 2HB LYS 60 0.755 -9.560 -7.689 428 HB3 LYS 60 1HB LYS 60 0.728 -11.036 -6.730 429 HG2 LYS 60 2HG LYS 60 -1.775 -10.999 -6.937 430 HG3 LYS 60 1HG LYS 60 -1.564 -9.730 -8.150 431 HD2 LYS 60 2HD LYS 60 -1.647 -11.687 -9.426 432 HD3 LYS 60 1HD LYS 60 0.078 -11.376 -9.271 433 HE2 LYS 60 2HE LYS 60 -1.544 -13.376 -7.661 434 HE3 LYS 60 1HE LYS 60 -0.409 -13.756 -8.942 435 HZ1 LYS 60 3HZ LYS 60 0.437 -14.148 -6.692 436 HZ2 LYS 60 1HZ LYS 60 0.285 -12.570 -6.294 437 HZ3 LYS 60 2HZ LYS 60 1.438 -13.022 -7.438 438 H CYS 61 H CYS 61 -2.116 -10.406 -5.327 439 HA CYS 61 HA CYS 61 -1.363 -11.488 -2.746 440 HB2 CYS 61 2HB CYS 61 -3.304 -9.932 -3.441 441 HB3 CYS 61 1HB CYS 61 -4.075 -11.450 -3.909 442 H GLU 62 H GLU 62 -1.348 -13.660 -2.532 443 HA GLU 62 HA GLU 62 -0.670 -15.672 -3.145 444 HB2 GLU 62 2HB GLU 62 -3.253 -15.194 -4.277 445 HB3 GLU 62 1HB GLU 62 -2.612 -16.865 -4.479 446 HG2 GLU 62 2HG GLU 62 -3.450 -15.285 -2.027 447 HG3 GLU 62 1HG GLU 62 -4.132 -16.813 -2.590 Start of MODEL 8 1 H PHE 1 1HT PHE 1 4.144 2.421 8.088 2 HA PHE 1 HA PHE 1 5.452 2.157 6.248 3 HB2 PHE 1 2HB PHE 1 4.325 1.536 3.981 4 HB3 PHE 1 1HB PHE 1 4.719 0.242 5.098 5 HD1 PHE 1 1HD PHE 1 2.901 -0.958 6.247 6 HD2 PHE 1 2HD PHE 1 2.092 2.077 3.388 7 HE1 PHE 1 1HE PHE 1 0.599 -1.797 6.018 8 HE2 PHE 1 2HE PHE 1 -0.214 1.248 3.151 9 HZ PHE 1 HZ PHE 1 -0.962 -0.692 4.469 10 H CYS 2 H CYS 2 2.248 3.259 5.131 11 HA CYS 2 HA CYS 2 3.420 5.340 3.736 12 HB2 CYS 2 2HB CYS 2 1.221 4.445 3.146 13 HB3 CYS 2 1HB CYS 2 0.538 5.148 4.610 14 H GLU 3 H GLU 3 2.602 5.214 7.050 15 HA GLU 3 HA GLU 3 2.232 7.864 7.805 16 HB2 GLU 3 2HB GLU 3 4.078 6.095 9.390 17 HB3 GLU 3 1HB GLU 3 2.926 7.276 9.976 18 HG2 GLU 3 2HG GLU 3 2.020 5.219 10.570 19 HG3 GLU 3 1HG GLU 3 1.151 5.692 9.093 20 H ARG 4 H ARG 4 5.135 6.124 7.094 21 HA ARG 4 HA ARG 4 6.615 8.516 7.501 22 HB2 ARG 4 2HB ARG 4 7.451 6.581 8.695 23 HB3 ARG 4 1HB ARG 4 7.623 5.690 7.201 24 HG2 ARG 4 2HG ARG 4 9.792 6.422 8.090 25 HG3 ARG 4 1HG ARG 4 9.443 7.127 6.513 26 HD2 ARG 4 2HD ARG 4 8.893 8.630 9.079 27 HD3 ARG 4 1HD ARG 4 10.476 8.675 8.302 28 HE ARG 4 HE ARG 4 8.859 9.275 6.289 29 HH11 ARG 4 1HH1 ARG 4 9.009 10.721 9.529 30 HH12 ARG 4 2HH1 ARG 4 8.420 12.237 9.011 31 HH21 ARG 4 1HH2 ARG 4 8.077 11.326 5.607 32 HH22 ARG 4 2HH2 ARG 4 7.821 12.579 6.722 33 H GLU 5 H GLU 5 5.257 6.818 4.982 34 HA GLU 5 HA GLU 5 7.306 7.529 3.081 35 HB2 GLU 5 2HB GLU 5 4.743 5.996 2.588 36 HB3 GLU 5 1HB GLU 5 6.105 6.116 1.484 37 HG2 GLU 5 2HG GLU 5 7.570 4.976 3.120 38 HG3 GLU 5 1HG GLU 5 6.227 4.836 4.235 39 H GLN 6 H GLN 6 3.804 8.407 3.583 40 HA GLN 6 HA GLN 6 4.304 10.876 2.001 41 HB2 GLN 6 2HB GLN 6 1.831 9.261 2.425 42 HB3 GLN 6 1HB GLN 6 1.860 10.870 1.739 43 HG2 GLN 6 2HG GLN 6 3.276 8.549 0.681 44 HG3 GLN 6 1HG GLN 6 1.583 9.031 0.260 45 HE21 GLN 6 1HE2 GLN 6 2.006 9.609 -1.957 46 HE22 GLN 6 2HE2 GLN 6 3.022 10.926 -2.384 47 H GLN 7 H GLN 7 3.829 9.572 4.954 48 HA GLN 7 HA GLN 7 3.104 10.010 6.795 49 HB2 GLN 7 2HB GLN 7 3.038 12.879 5.907 50 HB3 GLN 7 1HB GLN 7 2.726 12.394 7.574 51 HG2 GLN 7 2HG GLN 7 4.881 11.341 7.699 52 HG3 GLN 7 1HG GLN 7 5.175 11.730 6.013 53 HE21 GLN 7 1HE2 GLN 7 3.597 13.946 8.180 54 HE22 GLN 7 2HE2 GLN 7 4.877 15.102 8.286 55 H LEU 8 H LEU 8 1.187 9.280 4.817 56 HA LEU 8 HA LEU 8 -1.345 10.234 5.936 57 HB2 LEU 8 2HB LEU 8 -0.688 8.174 3.836 58 HB3 LEU 8 1HB LEU 8 -2.257 8.235 4.579 59 HG LEU 8 HG LEU 8 -2.627 9.218 2.608 60 HD11 LEU 8 1HD1 LEU 8 -2.024 11.543 4.332 61 HD12 LEU 8 2HD1 LEU 8 -3.487 10.551 4.212 62 HD13 LEU 8 3HD1 LEU 8 -2.993 11.554 2.841 63 HD21 LEU 8 3HD2 LEU 8 -1.157 10.789 1.424 64 HD22 LEU 8 1HD2 LEU 8 -0.408 9.219 1.715 65 HD23 LEU 8 2HD2 LEU 8 0.033 10.602 2.718 66 H GLU 9 H GLU 9 -2.743 8.429 6.479 67 HA GLU 9 HA GLU 9 -1.492 6.599 8.353 68 HB2 GLU 9 2HB GLU 9 -3.823 7.728 8.583 69 HB3 GLU 9 1HB GLU 9 -4.252 6.586 7.303 70 HG2 GLU 9 2HG GLU 9 -3.771 4.720 8.746 71 HG3 GLU 9 1HG GLU 9 -3.362 5.836 10.059 72 H SER 10 H SER 10 -1.561 4.315 7.891 73 HA SER 10 HA SER 10 -1.309 3.715 5.130 74 HB2 SER 10 2HB SER 10 -0.511 1.680 5.983 75 HB3 SER 10 1HB SER 10 0.072 3.121 6.929 76 HG SER 10 HG SER 10 -2.184 2.140 8.000 77 H CYS 11 H CYS 11 -2.530 2.064 4.103 78 HA CYS 11 HA CYS 11 -4.710 0.878 5.520 79 HB2 CYS 11 2HB CYS 11 -6.528 1.956 4.465 80 HB3 CYS 11 1HB CYS 11 -5.375 3.275 4.463 81 H ALA 12 H ALA 12 -5.812 -0.690 3.941 82 HA ALA 12 HA ALA 12 -3.900 -1.502 1.890 83 HB1 ALA 12 1HB ALA 12 -4.599 -3.827 2.333 84 HB2 ALA 12 2HB ALA 12 -5.629 -3.262 3.647 85 HB3 ALA 12 3HB ALA 12 -3.878 -3.092 3.766 86 H CYS 13 H CYS 13 -4.764 -1.326 -0.070 87 HA CYS 13 HA CYS 13 -7.387 -0.536 -0.542 88 HB2 CYS 13 2HB CYS 13 -5.343 -1.795 -2.384 89 HB3 CYS 13 1HB CYS 13 -6.816 -1.020 -2.905 90 H ASN 14 H ASN 14 -9.218 -1.477 -0.832 91 HA ASN 14 HA ASN 14 -9.754 -4.050 0.084 92 HB2 ASN 14 2HB ASN 14 -11.452 -2.368 -1.758 93 HB3 ASN 14 1HB ASN 14 -12.019 -3.707 -0.769 94 HD21 ASN 14 1HD2 ASN 14 -12.264 -3.394 1.454 95 HD22 ASN 14 2HD2 ASN 14 -12.219 -1.808 2.150 96 H GLU 15 H GLU 15 -8.879 -2.964 -3.041 97 HA GLU 15 HA GLU 15 -9.870 -5.119 -4.409 98 HB2 GLU 15 2HB GLU 15 -9.418 -2.845 -5.382 99 HB3 GLU 15 1HB GLU 15 -7.704 -3.179 -5.216 100 HG2 GLU 15 2HG GLU 15 -9.505 -4.838 -6.957 101 HG3 GLU 15 1HG GLU 15 -8.667 -3.396 -7.530 102 H THR 16 H THR 16 -8.657 -7.037 -5.023 103 HA THR 16 HA THR 16 -6.963 -8.116 -3.124 104 HB THR 16 HB THR 16 -7.406 -8.950 -5.982 105 HG1 THR 16 1HG THR 16 -8.901 -9.020 -3.759 106 HG21 THR 16 3HG2 THR 16 -6.241 -10.588 -3.676 107 HG22 THR 16 1HG2 THR 16 -5.315 -9.890 -5.012 108 HG23 THR 16 2HG2 THR 16 -6.525 -11.140 -5.323 109 H ASP 17 H ASP 17 -6.074 -6.874 -6.343 110 HA ASP 17 HA ASP 17 -3.425 -7.756 -5.940 111 HB2 ASP 17 2HB ASP 17 -4.602 -7.413 -8.160 112 HB3 ASP 17 1HB ASP 17 -4.309 -5.690 -7.864 113 H ASN 18 H ASN 18 -5.191 -4.702 -5.632 114 HA ASN 18 HA ASN 18 -2.856 -3.193 -5.163 115 HB2 ASN 18 2HB ASN 18 -5.756 -2.502 -5.025 116 HB3 ASN 18 1HB ASN 18 -4.553 -1.408 -4.364 117 HD21 ASN 18 1HD2 ASN 18 -5.673 -2.975 -7.311 118 HD22 ASN 18 2HD2 ASN 18 -4.962 -1.835 -8.389 119 H SER 19 H SER 19 -4.485 -5.244 -3.252 120 HA SER 19 HA SER 19 -3.809 -3.821 -0.845 121 HB2 SER 19 2HB SER 19 -4.453 -5.893 0.453 122 HB3 SER 19 1HB SER 19 -5.708 -5.311 -0.639 123 HG SER 19 HG SER 19 -4.473 -7.020 -2.096 124 H CYS 20 H CYS 20 -1.911 -5.209 -3.034 125 HA CYS 20 HA CYS 20 0.096 -5.933 -1.030 126 HB2 CYS 20 2HB CYS 20 -0.555 -7.566 -2.996 127 HB3 CYS 20 1HB CYS 20 0.433 -6.459 -3.961 128 H LYS 21 H LYS 21 -0.871 -3.190 -2.325 129 HA LYS 21 HA LYS 21 1.848 -2.105 -2.558 130 HB2 LYS 21 2HB LYS 21 -0.594 -1.572 -4.156 131 HB3 LYS 21 1HB LYS 21 0.755 -0.422 -4.099 132 HG2 LYS 21 2HG LYS 21 1.430 -1.504 -6.008 133 HG3 LYS 21 1HG LYS 21 1.985 -2.731 -4.872 134 HD2 LYS 21 2HD LYS 21 0.773 -3.885 -6.541 135 HD3 LYS 21 1HD LYS 21 -0.281 -3.816 -5.127 136 HE2 LYS 21 2HE LYS 21 -1.415 -1.845 -6.111 137 HE3 LYS 21 1HE LYS 21 -0.395 -2.004 -7.534 138 HZ1 LYS 21 3HZ LYS 21 -2.204 -4.102 -6.544 139 HZ2 LYS 21 1HZ LYS 21 -1.429 -4.179 -7.999 140 HZ3 LYS 21 2HZ LYS 21 -2.649 -3.047 -7.762 141 H VAL 22 H VAL 22 2.059 -0.142 -2.247 142 HA VAL 22 HA VAL 22 1.197 0.239 0.395 143 HB VAL 22 HB VAL 22 2.868 2.047 -1.374 144 HG11 VAL 22 1HG1 VAL 22 1.803 3.244 0.374 145 HG12 VAL 22 2HG1 VAL 22 3.528 3.037 0.791 146 HG13 VAL 22 3HG1 VAL 22 2.275 2.027 1.550 147 HG21 VAL 22 3HG2 VAL 22 3.665 0.131 0.801 148 HG22 VAL 22 1HG2 VAL 22 4.732 0.988 -0.313 149 HG23 VAL 22 2HG2 VAL 22 3.637 -0.323 -0.893 150 H CYS 23 H CYS 23 -0.680 0.691 0.599 151 HA CYS 23 HA CYS 23 -1.823 3.010 -0.811 152 HB2 CYS 23 2HB CYS 23 -3.420 1.167 0.962 153 HB3 CYS 23 1HB CYS 23 -3.955 2.385 -0.207 154 H CYS 24 H CYS 24 -3.036 4.586 0.353 155 HA CYS 24 HA CYS 24 -2.040 5.073 3.028 156 HB2 CYS 24 2HB CYS 24 -2.128 6.916 0.610 157 HB3 CYS 24 1HB CYS 24 -1.715 7.488 2.207 158 H ARG 25 H ARG 25 -3.569 6.796 4.012 159 HA ARG 25 HA ARG 25 -6.236 6.177 3.007 160 HB2 ARG 25 2HB ARG 25 -5.288 5.098 5.201 161 HB3 ARG 25 1HB ARG 25 -5.528 6.707 5.845 162 HG2 ARG 25 2HG ARG 25 -7.797 5.533 4.448 163 HG3 ARG 25 1HG ARG 25 -7.382 4.794 6.002 164 HD2 ARG 25 2HD ARG 25 -7.977 7.731 5.478 165 HD3 ARG 25 1HD ARG 25 -9.074 6.554 6.212 166 HE ARG 25 HE ARG 25 -7.047 6.374 7.875 167 HH11 ARG 25 1HH1 ARG 25 -8.420 9.325 6.492 168 HH12 ARG 25 2HH1 ARG 25 -8.269 10.251 7.918 169 HH21 ARG 25 1HH2 ARG 25 -6.765 7.595 9.794 170 HH22 ARG 25 2HH2 ARG 25 -7.257 9.211 9.913 171 H ASP 26 H ASP 26 -7.430 7.925 2.565 172 HA ASP 26 HA ASP 26 -6.106 10.450 2.935 173 HB2 ASP 26 2HB ASP 26 -7.121 11.156 0.978 174 HB3 ASP 26 1HB ASP 26 -7.059 9.428 0.667 175 H LEU 27 H LEU 27 -7.963 12.051 2.812 176 HA LEU 27 HA LEU 27 -8.729 12.378 5.426 177 HB2 LEU 27 2HB LEU 27 -9.927 13.988 3.206 178 HB3 LEU 27 1HB LEU 27 -9.649 14.495 4.858 179 HG LEU 27 HG LEU 27 -7.121 14.007 4.093 180 HD11 LEU 27 1HD1 LEU 27 -6.725 14.778 1.831 181 HD12 LEU 27 2HD1 LEU 27 -8.458 14.947 1.577 182 HD13 LEU 27 3HD1 LEU 27 -7.771 13.350 1.818 183 HD21 LEU 27 3HD2 LEU 27 -6.901 16.429 3.701 184 HD22 LEU 27 1HD2 LEU 27 -7.920 16.081 5.099 185 HD23 LEU 27 2HD2 LEU 27 -8.655 16.555 3.568 186 H SER 28 H SER 28 -10.492 11.142 2.690 187 HA SER 28 HA SER 28 -12.976 11.439 4.046 188 HB2 SER 28 2HB SER 28 -12.892 12.113 1.711 189 HB3 SER 28 1HB SER 28 -12.310 10.523 1.243 190 HG SER 28 HG SER 28 -14.420 9.933 2.445 191 H GLY 29 H GLY 29 -10.505 9.437 4.178 192 HA2 GLY 29 2HA GLY 29 -10.227 7.542 5.062 193 HA3 GLY 29 1HA GLY 29 -11.971 7.278 5.269 194 H ARG 30 H ARG 30 -10.328 7.938 2.248 195 HA ARG 30 HA ARG 30 -11.301 5.433 1.113 196 HB2 ARG 30 2HB ARG 30 -9.820 7.718 -0.174 197 HB3 ARG 30 1HB ARG 30 -10.661 6.416 -0.991 198 HG2 ARG 30 2HG ARG 30 -12.773 7.294 -0.402 199 HG3 ARG 30 1HG ARG 30 -12.054 8.418 0.760 200 HD2 ARG 30 2HD ARG 30 -10.863 9.525 -1.080 201 HD3 ARG 30 1HD ARG 30 -11.640 8.439 -2.223 202 HE ARG 30 HE ARG 30 -13.766 9.424 -1.436 203 HH11 ARG 30 1HH1 ARG 30 -10.808 11.309 -0.799 204 HH12 ARG 30 2HH1 ARG 30 -11.465 12.801 -1.198 205 HH21 ARG 30 1HH2 ARG 30 -14.747 11.545 -1.919 206 HH22 ARG 30 2HH2 ARG 30 -13.797 12.957 -1.831 207 H CYS 31 H CYS 31 -9.870 3.975 0.176 208 HA CYS 31 HA CYS 31 -7.124 4.171 0.990 209 HB2 CYS 31 2HB CYS 31 -8.832 1.983 -0.051 210 HB3 CYS 31 1HB CYS 31 -7.105 1.903 -0.404 211 H VAL 32 H VAL 32 -5.736 5.166 -0.149 212 HA VAL 32 HA VAL 32 -6.130 5.146 -2.923 213 HB VAL 32 HB VAL 32 -6.638 7.383 -2.293 214 HG11 VAL 32 1HG1 VAL 32 -4.909 8.793 -1.026 215 HG12 VAL 32 2HG1 VAL 32 -4.253 7.228 -0.476 216 HG13 VAL 32 3HG1 VAL 32 -5.918 7.691 -0.118 217 HG21 VAL 32 3HG2 VAL 32 -3.776 7.388 -3.239 218 HG22 VAL 32 1HG2 VAL 32 -4.909 8.732 -3.389 219 HG23 VAL 32 2HG2 VAL 32 -5.194 7.219 -4.265 220 HA PRO 33 HA PRO 33 -2.129 3.073 -2.709 221 HB2 PRO 33 2HB PRO 33 -2.059 3.795 -5.588 222 HB3 PRO 33 1HB PRO 33 -1.905 2.194 -4.835 223 HG2 PRO 33 2HG PRO 33 -4.104 2.840 -6.140 224 HG3 PRO 33 1HG PRO 33 -4.165 1.886 -4.644 225 HD2 PRO 33 2HD PRO 33 -4.811 4.776 -5.037 226 HD3 PRO 33 1HD PRO 33 -5.591 3.550 -4.011 227 H TYR 34 H TYR 34 -0.188 3.972 -2.227 228 HA TYR 34 HA TYR 34 0.183 6.729 -2.519 229 HB2 TYR 34 2HB TYR 34 1.423 6.225 -0.826 230 HB3 TYR 34 1HB TYR 34 1.735 4.552 -1.317 231 HD1 TYR 34 1HD TYR 34 2.876 8.155 -2.391 232 HD2 TYR 34 2HD TYR 34 4.039 4.065 -1.580 233 HE1 TYR 34 1HE TYR 34 4.951 8.696 -2.763 234 HE2 TYR 34 2HE TYR 34 6.340 4.757 -2.031 235 HH TYR 34 HH TYR 34 7.285 7.989 -2.298 236 H VAL 35 H VAL 35 0.829 7.951 -4.010 237 HA VAL 35 HA VAL 35 2.910 7.181 -5.737 238 HB VAL 35 HB VAL 35 1.163 8.949 -6.951 239 HG11 VAL 35 1HG1 VAL 35 2.072 6.260 -7.887 240 HG12 VAL 35 2HG1 VAL 35 2.873 7.824 -8.038 241 HG13 VAL 35 3HG1 VAL 35 1.375 7.524 -8.926 242 HG21 VAL 35 3HG2 VAL 35 -0.795 7.590 -7.628 243 HG22 VAL 35 1HG2 VAL 35 -0.709 7.850 -5.882 244 HG23 VAL 35 2HG2 VAL 35 -0.230 6.293 -6.563 245 H ASP 36 H ASP 36 4.068 8.965 -5.982 246 HA ASP 36 HA ASP 36 3.154 11.573 -4.810 247 HB2 ASP 36 2HB ASP 36 5.309 11.766 -4.077 248 HB3 ASP 36 1HB ASP 36 5.042 10.023 -3.871 249 H ALA 37 H ALA 37 4.958 12.866 -5.697 250 HA ALA 37 HA ALA 37 3.195 13.521 -7.608 251 HB1 ALA 37 1HB ALA 37 4.067 14.847 -6.017 252 HB2 ALA 37 2HB ALA 37 4.287 15.667 -7.606 253 HB3 ALA 37 3HB ALA 37 5.675 14.906 -6.738 254 H GLU 38 H GLU 38 6.357 12.102 -7.436 255 HA GLU 38 HA GLU 38 7.190 12.301 -9.994 256 HB2 GLU 38 2HB GLU 38 7.865 10.903 -7.527 257 HB3 GLU 38 1HB GLU 38 8.445 10.172 -9.011 258 HG2 GLU 38 2HG GLU 38 8.802 13.022 -8.382 259 HG3 GLU 38 1HG GLU 38 9.974 11.808 -7.832 260 H GLN 39 H GLN 39 4.531 10.569 -8.573 261 HA GLN 39 HA GLN 39 3.214 9.140 -9.209 262 HB2 GLN 39 2HB GLN 39 4.781 9.664 -11.551 263 HB3 GLN 39 1HB GLN 39 3.474 8.437 -11.728 264 HG2 GLN 39 2HG GLN 39 1.884 10.188 -11.067 265 HG3 GLN 39 1HG GLN 39 3.222 11.297 -10.773 266 HE21 GLN 39 1HE2 GLN 39 4.241 12.239 -12.495 267 HE22 GLN 39 2HE2 GLN 39 3.584 12.218 -14.100 268 H LYS 40 H LYS 40 5.637 8.424 -7.792 269 HA LYS 40 HA LYS 40 6.278 5.821 -8.849 270 HB2 LYS 40 2HB LYS 40 7.252 7.306 -6.474 271 HB3 LYS 40 1HB LYS 40 7.937 5.788 -7.087 272 HG2 LYS 40 2HG LYS 40 7.645 8.296 -8.423 273 HG3 LYS 40 1HG LYS 40 9.200 7.811 -7.635 274 HD2 LYS 40 2HD LYS 40 9.119 5.819 -9.289 275 HD3 LYS 40 1HD LYS 40 7.815 6.667 -10.113 276 HE2 LYS 40 2HE LYS 40 10.666 7.639 -9.796 277 HE3 LYS 40 1HE LYS 40 9.951 6.994 -11.265 278 HZ1 LYS 40 3HZ LYS 40 8.295 9.082 -10.849 279 HZ2 LYS 40 1HZ LYS 40 9.808 9.307 -11.584 280 HZ3 LYS 40 2HZ LYS 40 9.688 9.626 -10.050 281 H ASN 41 H ASN 41 6.019 4.171 -7.658 282 HA ASN 41 HA ASN 41 4.060 4.341 -5.527 283 HB2 ASN 41 2HB ASN 41 3.036 3.851 -7.735 284 HB3 ASN 41 1HB ASN 41 4.190 2.515 -7.799 285 HD21 ASN 41 1HD2 ASN 41 1.422 3.661 -5.899 286 HD22 ASN 41 2HD2 ASN 41 0.801 2.094 -5.522 287 H LEU 42 H LEU 42 3.918 1.725 -4.871 288 HA LEU 42 HA LEU 42 6.537 0.444 -4.694 289 HB2 LEU 42 2HB LEU 42 5.035 1.335 -2.280 290 HB3 LEU 42 1HB LEU 42 6.414 0.274 -2.278 291 HG LEU 42 HG LEU 42 6.453 3.155 -3.074 292 HD11 LEU 42 1HD1 LEU 42 5.756 2.714 -0.778 293 HD12 LEU 42 2HD1 LEU 42 7.368 3.467 -0.797 294 HD13 LEU 42 3HD1 LEU 42 7.190 1.732 -0.507 295 HD21 LEU 42 3HD2 LEU 42 8.290 1.814 -4.030 296 HD22 LEU 42 1HD2 LEU 42 8.668 1.192 -2.423 297 HD23 LEU 42 2HD2 LEU 42 8.889 2.904 -2.779 298 H PHE 43 H PHE 43 6.297 -1.732 -4.065 299 HA PHE 43 HA PHE 43 3.699 -2.681 -3.809 300 HB2 PHE 43 2HB PHE 43 6.419 -3.870 -3.939 301 HB3 PHE 43 1HB PHE 43 4.960 -4.887 -3.859 302 HD1 PHE 43 1HD PHE 43 3.222 -4.259 -5.802 303 HD2 PHE 43 2HD PHE 43 7.399 -3.490 -5.938 304 HE1 PHE 43 1HE PHE 43 3.119 -4.167 -8.257 305 HE2 PHE 43 2HE PHE 43 7.309 -3.393 -8.391 306 HZ PHE 43 HZ PHE 43 5.165 -3.731 -9.557 307 H LEU 44 H LEU 44 3.241 -3.972 -1.761 308 HA LEU 44 HA LEU 44 4.418 -2.829 0.361 309 HB2 LEU 44 2HB LEU 44 2.400 -5.005 0.130 310 HB3 LEU 44 1HB LEU 44 3.121 -4.679 1.687 311 HG LEU 44 HG LEU 44 1.580 -2.653 0.052 312 HD11 LEU 44 1HD1 LEU 44 -0.172 -2.975 1.725 313 HD12 LEU 44 2HD1 LEU 44 0.778 -4.253 2.484 314 HD13 LEU 44 3HD1 LEU 44 0.148 -4.472 0.851 315 HD21 LEU 44 3HD2 LEU 44 1.629 -1.339 2.101 316 HD22 LEU 44 1HD2 LEU 44 3.269 -1.677 1.553 317 HD23 LEU 44 2HD2 LEU 44 2.585 -2.586 2.896 318 H ARG 45 H ARG 45 5.074 -4.567 2.250 319 HA ARG 45 HA ARG 45 7.330 -5.800 1.108 320 HB2 ARG 45 2HB ARG 45 6.387 -5.128 3.790 321 HB3 ARG 45 1HB ARG 45 7.836 -6.178 3.547 322 HG2 ARG 45 2HG ARG 45 8.584 -3.862 3.999 323 HG3 ARG 45 1HG ARG 45 8.864 -4.208 2.300 324 HD2 ARG 45 2HD ARG 45 6.813 -2.941 1.715 325 HD3 ARG 45 1HD ARG 45 6.524 -2.619 3.421 326 HE ARG 45 HE ARG 45 9.093 -1.726 2.707 327 HH11 ARG 45 1HH1 ARG 45 5.676 -0.682 2.094 328 HH12 ARG 45 2HH1 ARG 45 6.147 0.965 1.994 329 HH21 ARG 45 1HH2 ARG 45 9.544 0.660 2.487 330 HH22 ARG 45 2HH2 ARG 45 8.179 1.655 2.183 331 H LYS 46 H LYS 46 7.876 -7.945 1.781 332 HA LYS 46 HA LYS 46 5.709 -9.622 1.038 333 HB2 LYS 46 2HB LYS 46 7.338 -11.540 1.176 334 HB3 LYS 46 1HB LYS 46 7.755 -10.243 0.074 335 HG2 LYS 46 2HG LYS 46 9.403 -9.398 1.592 336 HG3 LYS 46 1HG LYS 46 8.882 -10.515 2.846 337 HD2 LYS 46 2HD LYS 46 11.009 -11.196 1.715 338 HD3 LYS 46 1HD LYS 46 9.739 -12.405 1.609 339 HE2 LYS 46 2HE LYS 46 9.973 -10.472 -0.647 340 HE3 LYS 46 1HE LYS 46 11.248 -11.673 -0.487 341 HZ1 LYS 46 3HZ LYS 46 8.339 -12.401 -0.610 342 HZ2 LYS 46 1HZ LYS 46 9.625 -13.434 -0.722 343 HZ3 LYS 46 2HZ LYS 46 9.229 -12.327 -1.942 344 H GLY 47 H GLY 47 4.416 -10.855 2.018 345 HA2 GLY 47 2HA GLY 47 3.675 -12.441 3.510 346 HA3 GLY 47 1HA GLY 47 5.071 -12.131 4.556 347 H LYS 48 H LYS 48 3.188 -9.499 3.373 348 HA LYS 48 HA LYS 48 2.073 -9.097 6.027 349 HB2 LYS 48 2HB LYS 48 2.634 -7.466 3.635 350 HB3 LYS 48 1HB LYS 48 1.285 -6.932 4.632 351 HG2 LYS 48 2HG LYS 48 3.349 -5.678 5.150 352 HG3 LYS 48 1HG LYS 48 2.834 -6.619 6.534 353 HD2 LYS 48 2HD LYS 48 4.921 -7.708 4.656 354 HD3 LYS 48 1HD LYS 48 5.369 -6.512 5.869 355 HE2 LYS 48 2HE LYS 48 4.621 -7.985 7.648 356 HE3 LYS 48 1HE LYS 48 3.996 -9.137 6.474 357 HZ1 LYS 48 3HZ LYS 48 6.863 -8.450 6.879 358 HZ2 LYS 48 1HZ LYS 48 6.253 -9.484 5.680 359 HZ3 LYS 48 2HZ LYS 48 6.076 -9.897 7.296 360 HA PRO 49 HA PRO 49 -1.694 -10.926 4.664 361 HB2 PRO 49 2HB PRO 49 -3.381 -9.786 6.507 362 HB3 PRO 49 1HB PRO 49 -2.316 -11.158 6.880 363 HG2 PRO 49 2HG PRO 49 -1.927 -8.279 7.476 364 HG3 PRO 49 1HG PRO 49 -1.551 -9.700 8.470 365 HD2 PRO 49 2HD PRO 49 0.352 -8.376 7.116 366 HD3 PRO 49 1HD PRO 49 0.416 -10.132 7.373 367 H CYS 50 H CYS 50 -2.957 -10.376 3.044 368 HA CYS 50 HA CYS 50 -3.883 -7.661 2.835 369 HB2 CYS 50 2HB CYS 50 -3.512 -7.810 0.408 370 HB3 CYS 50 1HB CYS 50 -2.014 -8.034 1.306 371 H THR 51 H THR 51 -5.366 -8.429 0.402 372 HA THR 51 HA THR 51 -7.824 -9.030 1.485 373 HB THR 51 HB THR 51 -8.329 -9.678 -0.959 374 HG1 THR 51 1HG THR 51 -5.866 -8.424 -1.477 375 HG21 THR 51 3HG2 THR 51 -8.733 -7.465 0.089 376 HG22 THR 51 1HG2 THR 51 -8.230 -7.355 -1.614 377 HG23 THR 51 2HG2 THR 51 -7.054 -7.055 -0.331 378 H VAL 52 H VAL 52 -6.179 -11.086 -0.725 379 HA VAL 52 HA VAL 52 -7.769 -13.344 0.138 380 HB VAL 52 HB VAL 52 -6.885 -14.573 -1.786 381 HG11 VAL 52 1HG1 VAL 52 -7.878 -11.781 -2.360 382 HG12 VAL 52 2HG1 VAL 52 -8.876 -13.207 -2.061 383 HG13 VAL 52 3HG1 VAL 52 -7.889 -13.105 -3.523 384 HG21 VAL 52 3HG2 VAL 52 -5.435 -13.531 -3.406 385 HG22 VAL 52 1HG2 VAL 52 -4.615 -13.485 -1.847 386 HG23 VAL 52 2HG2 VAL 52 -5.412 -12.035 -2.498 387 H GLY 53 H GLY 53 -4.479 -12.427 0.525 388 HA2 GLY 53 2HA GLY 53 -4.058 -14.530 2.340 389 HA3 GLY 53 1HA GLY 53 -3.240 -14.786 0.789 390 H PHE 54 H PHE 54 -1.223 -14.161 0.781 391 HA PHE 54 HA PHE 54 -0.552 -11.872 2.484 392 HB2 PHE 54 2HB PHE 54 1.212 -14.209 1.770 393 HB3 PHE 54 1HB PHE 54 1.762 -12.744 2.596 394 HD1 PHE 54 1HD PHE 54 0.966 -12.239 4.864 395 HD2 PHE 54 2HD PHE 54 0.012 -15.910 2.937 396 HE1 PHE 54 1HE PHE 54 0.330 -13.205 7.033 397 HE2 PHE 54 2HE PHE 54 -0.628 -16.885 5.103 398 HZ PHE 54 HZ PHE 54 -0.470 -15.532 7.156 399 H CYS 55 H CYS 55 0.853 -10.456 1.803 400 HA CYS 55 HA CYS 55 0.832 -9.904 -1.053 401 HB2 CYS 55 2HB CYS 55 0.260 -8.161 0.568 402 HB3 CYS 55 1HB CYS 55 1.803 -8.464 1.373 403 H ASP 56 H ASP 56 2.632 -10.575 -2.301 404 HA ASP 56 HA ASP 56 5.122 -10.542 -0.736 405 HB2 ASP 56 2HB ASP 56 4.388 -12.808 -1.760 406 HB3 ASP 56 1HB ASP 56 4.897 -12.120 -3.302 407 H MET 57 H MET 57 7.071 -10.475 -2.784 408 HA MET 57 HA MET 57 7.205 -7.738 -3.186 409 HB2 MET 57 2HB MET 57 9.065 -9.120 -2.609 410 HB3 MET 57 1HB MET 57 8.759 -10.190 -3.963 411 HG2 MET 57 2HG MET 57 9.282 -8.543 -5.448 412 HG3 MET 57 1HG MET 57 9.534 -7.348 -4.149 413 HE1 MET 57 3HE MET 57 11.790 -7.951 -6.409 414 HE2 MET 57 1HE MET 57 13.249 -8.024 -5.421 415 HE3 MET 57 2HE MET 57 12.028 -6.793 -5.100 416 H ASN 58 H ASN 58 5.770 -10.270 -4.820 417 HA ASN 58 HA ASN 58 5.960 -9.598 -7.550 418 HB2 ASN 58 2HB ASN 58 3.660 -10.921 -6.081 419 HB3 ASN 58 1HB ASN 58 3.938 -10.960 -7.812 420 HD21 ASN 58 1HD2 ASN 58 3.632 -13.177 -5.882 421 HD22 ASN 58 2HD2 ASN 58 5.073 -14.079 -6.027 422 H GLY 59 H GLY 59 4.135 -8.277 -4.862 423 HA2 GLY 59 2HA GLY 59 2.526 -6.566 -4.757 424 HA3 GLY 59 1HA GLY 59 2.831 -6.272 -6.492 425 H LYS 60 H LYS 60 2.117 -9.246 -4.983 426 HA LYS 60 HA LYS 60 -0.693 -9.322 -5.794 427 HB2 LYS 60 2HB LYS 60 1.443 -11.272 -6.488 428 HB3 LYS 60 1HB LYS 60 -0.244 -11.725 -6.409 429 HG2 LYS 60 2HG LYS 60 -0.001 -11.346 -8.700 430 HG3 LYS 60 1HG LYS 60 -0.601 -9.797 -8.114 431 HD2 LYS 60 2HD LYS 60 1.909 -9.181 -7.908 432 HD3 LYS 60 1HD LYS 60 2.163 -10.554 -8.985 433 HE2 LYS 60 2HE LYS 60 2.044 -8.548 -10.298 434 HE3 LYS 60 1HE LYS 60 0.594 -9.510 -10.597 435 HZ1 LYS 60 3HZ LYS 60 0.086 -7.097 -10.231 436 HZ2 LYS 60 1HZ LYS 60 0.699 -7.244 -8.672 437 HZ3 LYS 60 2HZ LYS 60 -0.656 -8.073 -9.108 438 H CYS 61 H CYS 61 -1.627 -11.066 -5.011 439 HA CYS 61 HA CYS 61 -0.758 -11.392 -2.286 440 HB2 CYS 61 2HB CYS 61 -3.222 -10.717 -3.622 441 HB3 CYS 61 1HB CYS 61 -3.402 -11.669 -2.107 442 H GLU 62 H GLU 62 -0.214 -13.310 -1.899 443 HA GLU 62 HA GLU 62 -0.962 -15.489 -3.608 444 HB2 GLU 62 2HB GLU 62 1.049 -15.563 -1.359 445 HB3 GLU 62 1HB GLU 62 0.999 -16.551 -2.801 446 HG2 GLU 62 2HG GLU 62 1.820 -13.634 -2.689 447 HG3 GLU 62 1HG GLU 62 2.917 -14.997 -2.758 Start of MODEL 9 1 H PHE 1 1HT PHE 1 6.997 4.850 4.300 2 HA PHE 1 HA PHE 1 6.692 3.812 2.414 3 HB2 PHE 1 2HB PHE 1 4.759 2.104 2.178 4 HB3 PHE 1 1HB PHE 1 6.321 1.537 2.759 5 HD1 PHE 1 2HD PHE 1 6.544 1.108 5.251 6 HD2 PHE 1 1HD PHE 1 2.793 1.811 3.372 7 HE1 PHE 1 2HE PHE 1 5.399 0.059 7.157 8 HE2 PHE 1 1HE PHE 1 1.648 0.746 5.270 9 HZ PHE 1 HZ PHE 1 2.946 -0.125 7.162 10 H CYS 2 H CYS 2 3.909 4.543 4.513 11 HA CYS 2 HA CYS 2 3.416 6.539 2.474 12 HB2 CYS 2 2HB CYS 2 1.619 4.962 2.299 13 HB3 CYS 2 1HB CYS 2 1.351 5.009 4.040 14 H GLU 3 H GLU 3 3.519 5.737 5.813 15 HA GLU 3 HA GLU 3 2.397 8.019 6.898 16 HB2 GLU 3 2HB GLU 3 3.809 7.388 8.952 17 HB3 GLU 3 1HB GLU 3 2.499 6.308 8.467 18 HG2 GLU 3 2HG GLU 3 5.464 5.910 7.925 19 HG3 GLU 3 1HG GLU 3 4.570 5.164 9.241 20 H ARG 4 H ARG 4 5.849 7.327 6.882 21 HA ARG 4 HA ARG 4 6.534 9.890 7.646 22 HB2 ARG 4 2HB ARG 4 8.149 8.201 8.037 23 HB3 ARG 4 1HB ARG 4 8.159 7.710 6.352 24 HG2 ARG 4 2HG ARG 4 10.213 8.910 7.020 25 HG3 ARG 4 1HG ARG 4 9.342 9.718 5.719 26 HD2 ARG 4 2HD ARG 4 8.331 11.233 7.425 27 HD3 ARG 4 1HD ARG 4 9.360 10.478 8.643 28 HE ARG 4 HE ARG 4 11.212 11.464 7.705 29 HH11 ARG 4 1HH1 ARG 4 8.313 12.290 5.772 30 HH12 ARG 4 2HH1 ARG 4 8.965 13.660 5.058 31 HH21 ARG 4 1HH2 ARG 4 12.159 13.421 6.681 32 HH22 ARG 4 2HH2 ARG 4 11.228 14.331 5.591 33 H GLU 5 H GLU 5 6.396 8.391 4.470 34 HA GLU 5 HA GLU 5 7.454 10.270 2.904 35 HB2 GLU 5 2HB GLU 5 5.327 8.220 2.370 36 HB3 GLU 5 1HB GLU 5 6.251 9.065 1.134 37 HG2 GLU 5 2HG GLU 5 7.425 6.991 1.370 38 HG3 GLU 5 1HG GLU 5 8.285 8.205 2.355 39 H GLN 6 H GLN 6 3.840 9.967 3.558 40 HA GLN 6 HA GLN 6 3.752 12.700 2.626 41 HB2 GLN 6 2HB GLN 6 1.490 11.988 1.478 42 HB3 GLN 6 1HB GLN 6 3.026 11.992 0.569 43 HG2 GLN 6 2HG GLN 6 3.019 9.503 1.170 44 HG3 GLN 6 1HG GLN 6 1.351 9.755 1.689 45 HE21 GLN 6 1HE2 GLN 6 2.932 11.395 -1.036 46 HE22 GLN 6 2HE2 GLN 6 1.955 10.657 -2.245 47 H GLN 7 H GLN 7 3.368 10.998 4.985 48 HA GLN 7 HA GLN 7 2.520 11.165 6.814 49 HB2 GLN 7 2HB GLN 7 1.754 13.911 5.894 50 HB3 GLN 7 1HB GLN 7 1.463 13.400 7.554 51 HG2 GLN 7 2HG GLN 7 4.142 13.084 6.313 52 HG3 GLN 7 1HG GLN 7 3.659 14.649 6.989 53 HE21 GLN 7 1HE2 GLN 7 4.392 11.298 7.716 54 HE22 GLN 7 2HE2 GLN 7 4.583 11.554 9.423 55 H LEU 8 H LEU 8 0.828 9.969 4.862 56 HA LEU 8 HA LEU 8 -1.814 10.417 5.990 57 HB2 LEU 8 2HB LEU 8 -0.911 8.571 3.777 58 HB3 LEU 8 1HB LEU 8 -2.491 8.486 4.492 59 HG LEU 8 HG LEU 8 -2.933 9.544 2.619 60 HD11 LEU 8 1HD1 LEU 8 -3.373 11.874 2.924 61 HD12 LEU 8 2HD1 LEU 8 -2.442 11.803 4.437 62 HD13 LEU 8 3HD1 LEU 8 -3.862 10.760 4.206 63 HD21 LEU 8 3HD2 LEU 8 -1.549 11.187 1.425 64 HD22 LEU 8 1HD2 LEU 8 -0.872 9.598 1.693 65 HD23 LEU 8 2HD2 LEU 8 -0.251 10.992 2.614 66 H GLU 9 H GLU 9 -2.895 8.441 6.459 67 HA GLU 9 HA GLU 9 -1.407 6.688 8.220 68 HB2 GLU 9 2HB GLU 9 -3.911 7.545 8.363 69 HB3 GLU 9 1HB GLU 9 -4.063 6.321 7.092 70 HG2 GLU 9 2HG GLU 9 -3.514 4.564 8.557 71 HG3 GLU 9 1HG GLU 9 -3.173 5.699 9.874 72 H SER 10 H SER 10 -0.971 4.565 7.517 73 HA SER 10 HA SER 10 -0.997 4.245 4.667 74 HB2 SER 10 2HB SER 10 0.156 2.772 6.946 75 HB3 SER 10 1HB SER 10 0.430 2.369 5.187 76 HG SER 10 HG SER 10 1.964 3.820 6.622 77 H CYS 11 H CYS 11 -1.988 2.432 3.748 78 HA CYS 11 HA CYS 11 -3.745 0.883 5.471 79 HB2 CYS 11 2HB CYS 11 -5.845 1.678 4.614 80 HB3 CYS 11 1HB CYS 11 -4.881 3.140 4.709 81 H ALA 12 H ALA 12 -5.263 -0.474 3.713 82 HA ALA 12 HA ALA 12 -3.480 -1.366 1.599 83 HB1 ALA 12 1HB ALA 12 -4.113 -3.690 2.131 84 HB2 ALA 12 2HB ALA 12 -4.998 -3.097 3.543 85 HB3 ALA 12 3HB ALA 12 -3.246 -2.924 3.466 86 H CYS 13 H CYS 13 -4.535 -1.236 -0.248 87 HA CYS 13 HA CYS 13 -7.262 -0.590 -0.537 88 HB2 CYS 13 2HB CYS 13 -5.258 -1.717 -2.492 89 HB3 CYS 13 1HB CYS 13 -6.790 -0.963 -2.911 90 H ASN 14 H ASN 14 -8.932 -1.672 -1.511 91 HA ASN 14 HA ASN 14 -9.428 -4.051 -0.034 92 HB2 ASN 14 2HB ASN 14 -11.065 -2.140 -0.453 93 HB3 ASN 14 1HB ASN 14 -11.188 -2.706 -2.104 94 HD21 ASN 14 1HD2 ASN 14 -11.217 -5.592 -1.253 95 HD22 ASN 14 2HD2 ASN 14 -12.790 -5.817 -0.560 96 H GLU 15 H GLU 15 -8.490 -3.146 -3.175 97 HA GLU 15 HA GLU 15 -9.264 -5.385 -4.525 98 HB2 GLU 15 2HB GLU 15 -6.845 -3.729 -5.153 99 HB3 GLU 15 1HB GLU 15 -7.772 -4.682 -6.307 100 HG2 GLU 15 2HG GLU 15 -8.440 -2.530 -6.782 101 HG3 GLU 15 1HG GLU 15 -9.692 -3.027 -5.639 102 H THR 16 H THR 16 -8.123 -7.393 -4.739 103 HA THR 16 HA THR 16 -6.375 -8.309 -2.798 104 HB THR 16 HB THR 16 -6.778 -9.240 -5.636 105 HG1 THR 16 1HG THR 16 -8.432 -10.262 -4.865 106 HG21 THR 16 3HG2 THR 16 -5.550 -10.806 -3.326 107 HG22 THR 16 1HG2 THR 16 -4.646 -10.012 -4.645 108 HG23 THR 16 2HG2 THR 16 -5.769 -11.337 -4.996 109 H ASP 17 H ASP 17 -5.635 -7.300 -6.072 110 HA ASP 17 HA ASP 17 -3.010 -7.833 -5.997 111 HB2 ASP 17 2HB ASP 17 -4.366 -5.668 -7.545 112 HB3 ASP 17 1HB ASP 17 -2.937 -6.578 -8.056 113 H ASN 18 H ASN 18 -4.862 -4.846 -5.335 114 HA ASN 18 HA ASN 18 -2.500 -3.322 -4.922 115 HB2 ASN 18 2HB ASN 18 -5.379 -2.460 -4.689 116 HB3 ASN 18 1HB ASN 18 -4.022 -1.412 -4.337 117 HD21 ASN 18 1HD2 ASN 18 -6.065 -1.090 -6.283 118 HD22 ASN 18 2HD2 ASN 18 -5.285 -1.009 -7.829 119 H SER 19 H SER 19 -4.213 -5.319 -2.997 120 HA SER 19 HA SER 19 -3.751 -3.844 -0.565 121 HB2 SER 19 2HB SER 19 -4.333 -5.924 0.687 122 HB3 SER 19 1HB SER 19 -5.531 -5.575 -0.562 123 HG SER 19 HG SER 19 -4.220 -7.175 -1.849 124 H CYS 20 H CYS 20 -1.832 -5.255 -2.676 125 HA CYS 20 HA CYS 20 0.371 -5.753 -0.850 126 HB2 CYS 20 2HB CYS 20 -0.301 -6.589 -3.607 127 HB3 CYS 20 1HB CYS 20 1.389 -6.622 -3.062 128 H LYS 21 H LYS 21 -0.889 -3.139 -2.258 129 HA LYS 21 HA LYS 21 1.730 -1.858 -2.707 130 HB2 LYS 21 2HB LYS 21 -0.968 -1.265 -3.818 131 HB3 LYS 21 1HB LYS 21 0.522 -0.387 -4.213 132 HG2 LYS 21 2HG LYS 21 -0.371 -3.139 -5.087 133 HG3 LYS 21 1HG LYS 21 -0.037 -1.736 -6.107 134 HD2 LYS 21 2HD LYS 21 2.343 -1.881 -5.498 135 HD3 LYS 21 1HD LYS 21 1.923 -3.240 -4.436 136 HE2 LYS 21 2HE LYS 21 1.174 -4.535 -6.361 137 HE3 LYS 21 1HE LYS 21 1.574 -3.197 -7.433 138 HZ1 LYS 21 3HZ LYS 21 3.534 -4.756 -5.799 139 HZ2 LYS 21 1HZ LYS 21 3.915 -3.472 -6.845 140 HZ3 LYS 21 2HZ LYS 21 3.249 -4.921 -7.428 141 H VAL 22 H VAL 22 1.976 -0.042 -2.201 142 HA VAL 22 HA VAL 22 1.077 0.298 0.434 143 HB VAL 22 HB VAL 22 2.799 2.062 -1.298 144 HG11 VAL 22 1HG1 VAL 22 3.445 3.080 0.830 145 HG12 VAL 22 2HG1 VAL 22 2.194 2.076 1.630 146 HG13 VAL 22 3HG1 VAL 22 1.731 3.257 0.409 147 HG21 VAL 22 3HG2 VAL 22 3.527 -0.045 0.794 148 HG22 VAL 22 1HG2 VAL 22 4.654 0.948 -0.143 149 HG23 VAL 22 2HG2 VAL 22 3.597 -0.282 -0.913 150 H CYS 23 H CYS 23 -0.773 0.836 0.594 151 HA CYS 23 HA CYS 23 -1.863 3.133 -0.897 152 HB2 CYS 23 2HB CYS 23 -3.421 1.292 0.914 153 HB3 CYS 23 1HB CYS 23 -4.027 2.477 -0.251 154 H CYS 24 H CYS 24 -3.190 4.674 0.271 155 HA CYS 24 HA CYS 24 -2.132 5.396 2.862 156 HB2 CYS 24 2HB CYS 24 -2.421 7.077 0.343 157 HB3 CYS 24 1HB CYS 24 -2.111 7.800 1.913 158 H ARG 25 H ARG 25 -3.715 6.943 3.885 159 HA ARG 25 HA ARG 25 -6.348 6.062 3.013 160 HB2 ARG 25 2HB ARG 25 -5.153 5.069 5.121 161 HB3 ARG 25 1HB ARG 25 -5.605 6.603 5.833 162 HG2 ARG 25 2HG ARG 25 -7.709 5.143 4.438 163 HG3 ARG 25 1HG ARG 25 -7.151 4.442 5.967 164 HD2 ARG 25 2HD ARG 25 -8.133 7.279 5.525 165 HD3 ARG 25 1HD ARG 25 -9.100 5.972 6.218 166 HE ARG 25 HE ARG 25 -7.023 5.975 7.859 167 HH11 ARG 25 1HH1 ARG 25 -8.817 8.767 6.605 168 HH12 ARG 25 2HH1 ARG 25 -8.723 9.662 8.049 169 HH21 ARG 25 1HH2 ARG 25 -6.806 7.176 9.780 170 HH22 ARG 25 2HH2 ARG 25 -7.499 8.714 9.975 171 H ASP 26 H ASP 26 -7.721 7.641 2.643 172 HA ASP 26 HA ASP 26 -6.732 10.349 2.974 173 HB2 ASP 26 2HB ASP 26 -7.965 10.857 1.076 174 HB3 ASP 26 1HB ASP 26 -7.535 9.178 0.746 175 H LEU 27 H LEU 27 -8.919 11.586 2.768 176 HA LEU 27 HA LEU 27 -9.610 12.002 5.398 177 HB2 LEU 27 2HB LEU 27 -10.656 13.066 2.866 178 HB3 LEU 27 1HB LEU 27 -11.136 13.781 4.414 179 HG LEU 27 HG LEU 27 -8.523 14.192 4.574 180 HD11 LEU 27 1HD1 LEU 27 -7.527 14.607 2.325 181 HD12 LEU 27 2HD1 LEU 27 -8.943 13.768 1.633 182 HD13 LEU 27 3HD1 LEU 27 -7.851 12.910 2.694 183 HD21 LEU 27 3HD2 LEU 27 -10.186 15.962 4.463 184 HD22 LEU 27 1HD2 LEU 27 -10.300 15.759 2.715 185 HD23 LEU 27 2HD2 LEU 27 -8.802 16.349 3.439 186 H SER 28 H SER 28 -11.230 10.667 2.597 187 HA SER 28 HA SER 28 -13.736 10.450 3.892 188 HB2 SER 28 2HB SER 28 -13.696 10.914 1.497 189 HB3 SER 28 1HB SER 28 -12.781 9.442 1.190 190 HG SER 28 HG SER 28 -14.853 8.662 2.494 191 H GLY 29 H GLY 29 -10.926 8.889 4.042 192 HA2 GLY 29 2HA GLY 29 -10.234 7.146 4.970 193 HA3 GLY 29 1HA GLY 29 -11.868 6.746 5.545 194 H ARG 30 H ARG 30 -10.621 7.077 2.235 195 HA ARG 30 HA ARG 30 -11.369 4.323 1.641 196 HB2 ARG 30 2HB ARG 30 -10.469 6.485 -0.272 197 HB3 ARG 30 1HB ARG 30 -11.356 5.022 -0.641 198 HG2 ARG 30 2HG ARG 30 -12.464 7.391 0.863 199 HG3 ARG 30 1HG ARG 30 -12.703 7.089 -0.853 200 HD2 ARG 30 2HD ARG 30 -14.662 6.424 0.343 201 HD3 ARG 30 1HD ARG 30 -13.844 4.965 -0.239 202 HE ARG 30 HE ARG 30 -12.914 5.339 2.276 203 HH11 ARG 30 1HH1 ARG 30 -16.174 5.024 0.975 204 HH12 ARG 30 2HH1 ARG 30 -16.838 4.299 2.368 205 HH21 ARG 30 1HH2 ARG 30 -13.735 4.381 4.148 206 HH22 ARG 30 2HH2 ARG 30 -15.372 3.915 4.299 207 H CYS 31 H CYS 31 -9.688 3.440 -0.047 208 HA CYS 31 HA CYS 31 -7.067 4.105 0.965 209 HB2 CYS 31 2HB CYS 31 -8.230 1.528 0.055 210 HB3 CYS 31 1HB CYS 31 -6.499 1.807 -0.162 211 H VAL 32 H VAL 32 -5.849 5.203 -0.215 212 HA VAL 32 HA VAL 32 -6.231 4.988 -2.978 213 HB VAL 32 HB VAL 32 -4.909 7.300 -2.978 214 HG11 VAL 32 1HG1 VAL 32 -7.094 8.411 -3.083 215 HG12 VAL 32 2HG1 VAL 32 -7.835 6.982 -2.338 216 HG13 VAL 32 3HG1 VAL 32 -7.042 6.851 -3.921 217 HG21 VAL 32 3HG2 VAL 32 -4.737 7.140 -0.438 218 HG22 VAL 32 1HG2 VAL 32 -6.445 7.554 -0.351 219 HG23 VAL 32 2HG2 VAL 32 -5.308 8.690 -1.070 220 HA PRO 33 HA PRO 33 -2.213 3.134 -2.996 221 HB2 PRO 33 2HB PRO 33 -1.581 3.674 -5.630 222 HB3 PRO 33 1HB PRO 33 -2.645 2.341 -5.137 223 HG2 PRO 33 2HG PRO 33 -3.380 5.030 -6.170 224 HG3 PRO 33 1HG PRO 33 -4.111 3.449 -6.518 225 HD2 PRO 33 2HD PRO 33 -5.281 5.169 -4.794 226 HD3 PRO 33 1HD PRO 33 -5.313 3.411 -4.547 227 H TYR 34 H TYR 34 -0.259 4.009 -2.239 228 HA TYR 34 HA TYR 34 0.155 6.775 -2.308 229 HB2 TYR 34 2HB TYR 34 1.192 5.893 -0.534 230 HB3 TYR 34 1HB TYR 34 1.654 4.402 -1.367 231 HD1 TYR 34 1HD TYR 34 2.750 8.016 -0.651 232 HD2 TYR 34 2HD TYR 34 3.829 4.291 -2.550 233 HE1 TYR 34 1HE TYR 34 4.858 8.697 -0.801 234 HE2 TYR 34 2HE TYR 34 6.021 5.113 -2.716 235 HH TYR 34 HH TYR 34 7.088 7.801 -0.985 236 H VAL 35 H VAL 35 1.321 8.021 -3.541 237 HA VAL 35 HA VAL 35 3.331 6.931 -5.143 238 HB VAL 35 HB VAL 35 2.006 9.130 -6.363 239 HG11 VAL 35 1HG1 VAL 35 3.688 8.046 -7.421 240 HG12 VAL 35 2HG1 VAL 35 2.251 7.903 -8.438 241 HG13 VAL 35 3HG1 VAL 35 2.816 6.512 -7.488 242 HG21 VAL 35 3HG2 VAL 35 -0.027 8.076 -5.557 243 HG22 VAL 35 1HG2 VAL 35 0.321 6.625 -6.478 244 HG23 VAL 35 2HG2 VAL 35 -0.016 8.148 -7.336 245 H ASP 36 H ASP 36 4.910 8.506 -4.915 246 HA ASP 36 HA ASP 36 3.981 11.118 -3.886 247 HB2 ASP 36 2HB ASP 36 5.084 9.722 -2.208 248 HB3 ASP 36 1HB ASP 36 6.538 9.676 -3.256 249 H ALA 37 H ALA 37 5.311 12.491 -4.081 250 HA ALA 37 HA ALA 37 4.234 13.550 -6.112 251 HB1 ALA 37 1HB ALA 37 5.379 14.399 -4.347 252 HB2 ALA 37 2HB ALA 37 5.561 15.427 -5.814 253 HB3 ALA 37 3HB ALA 37 6.909 14.383 -5.224 254 H GLU 38 H GLU 38 7.336 11.834 -6.678 255 HA GLU 38 HA GLU 38 7.765 12.850 -9.172 256 HB2 GLU 38 2HB GLU 38 8.690 10.537 -7.677 257 HB3 GLU 38 1HB GLU 38 9.578 11.094 -9.133 258 HG2 GLU 38 2HG GLU 38 10.873 12.117 -7.539 259 HG3 GLU 38 1HG GLU 38 9.512 13.233 -7.341 260 H GLN 39 H GLN 39 5.337 10.790 -8.016 261 HA GLN 39 HA GLN 39 4.026 9.399 -8.652 262 HB2 GLN 39 2HB GLN 39 5.543 9.828 -11.031 263 HB3 GLN 39 1HB GLN 39 4.203 8.617 -11.134 264 HG2 GLN 39 2HG GLN 39 2.706 10.460 -10.407 265 HG3 GLN 39 1HG GLN 39 4.109 11.525 -10.355 266 HE21 GLN 39 1HE2 GLN 39 4.989 12.226 -12.294 267 HE22 GLN 39 2HE2 GLN 39 4.140 12.101 -13.805 268 H LYS 40 H LYS 40 6.460 8.888 -7.325 269 HA LYS 40 HA LYS 40 7.216 6.270 -8.086 270 HB2 LYS 40 2HB LYS 40 8.581 6.279 -6.223 271 HB3 LYS 40 1HB LYS 40 8.658 7.852 -7.134 272 HG2 LYS 40 2HG LYS 40 7.553 8.992 -5.356 273 HG3 LYS 40 1HG LYS 40 7.244 7.461 -4.515 274 HD2 LYS 40 2HD LYS 40 9.657 7.121 -4.193 275 HD3 LYS 40 1HD LYS 40 9.999 8.606 -5.069 276 HE2 LYS 40 2HE LYS 40 8.405 8.529 -2.500 277 HE3 LYS 40 1HE LYS 40 10.151 8.720 -2.539 278 HZ1 LYS 40 3HZ LYS 40 8.400 10.537 -4.056 279 HZ2 LYS 40 1HZ LYS 40 9.928 10.818 -3.613 280 HZ3 LYS 40 2HZ LYS 40 8.632 10.885 -2.481 281 H ASN 41 H ASN 41 6.652 4.436 -7.175 282 HA ASN 41 HA ASN 41 4.401 4.445 -5.302 283 HB2 ASN 41 2HB ASN 41 3.794 4.084 -7.722 284 HB3 ASN 41 1HB ASN 41 4.943 2.746 -7.634 285 HD21 ASN 41 1HD2 ASN 41 1.873 3.853 -6.203 286 HD22 ASN 41 2HD2 ASN 41 1.233 2.276 -5.961 287 H LEU 42 H LEU 42 4.211 1.872 -4.822 288 HA LEU 42 HA LEU 42 6.798 0.719 -4.142 289 HB2 LEU 42 2HB LEU 42 4.908 1.741 -2.090 290 HB3 LEU 42 1HB LEU 42 6.199 0.613 -1.768 291 HG LEU 42 HG LEU 42 6.664 3.341 -2.857 292 HD11 LEU 42 1HD1 LEU 42 6.155 2.350 -0.078 293 HD12 LEU 42 2HD1 LEU 42 5.483 3.723 -0.998 294 HD13 LEU 42 3HD1 LEU 42 7.140 3.815 -0.384 295 HD21 LEU 42 3HD2 LEU 42 8.879 3.018 -1.846 296 HD22 LEU 42 1HD2 LEU 42 8.530 1.748 -3.020 297 HD23 LEU 42 2HD2 LEU 42 8.395 1.414 -1.292 298 H PHE 43 H PHE 43 6.630 -1.425 -3.673 299 HA PHE 43 HA PHE 43 4.186 -2.698 -3.676 300 HB2 PHE 43 2HB PHE 43 5.650 -4.651 -3.892 301 HB3 PHE 43 1HB PHE 43 6.186 -3.251 -4.850 302 HD1 PHE 43 1HD PHE 43 8.224 -2.094 -4.476 303 HD2 PHE 43 2HD PHE 43 7.100 -5.353 -1.979 304 HE1 PHE 43 1HE PHE 43 10.509 -2.192 -3.577 305 HE2 PHE 43 2HE PHE 43 9.382 -5.451 -1.075 306 HZ PHE 43 HZ PHE 43 11.090 -3.870 -1.874 307 H LEU 44 H LEU 44 3.442 -3.825 -1.672 308 HA LEU 44 HA LEU 44 4.576 -2.885 0.580 309 HB2 LEU 44 2HB LEU 44 2.236 -4.629 0.048 310 HB3 LEU 44 1HB LEU 44 2.888 -4.636 1.671 311 HG LEU 44 HG LEU 44 1.932 -2.147 0.237 312 HD11 LEU 44 1HD1 LEU 44 0.021 -2.283 1.750 313 HD12 LEU 44 2HD1 LEU 44 0.635 -3.814 2.375 314 HD13 LEU 44 3HD1 LEU 44 0.098 -3.700 0.701 315 HD21 LEU 44 3HD2 LEU 44 2.663 -2.639 3.124 316 HD22 LEU 44 1HD2 LEU 44 2.071 -1.129 2.443 317 HD23 LEU 44 2HD2 LEU 44 3.653 -1.748 1.971 318 H ARG 45 H ARG 45 4.829 -4.859 2.387 319 HA ARG 45 HA ARG 45 7.114 -6.302 1.719 320 HB2 ARG 45 2HB ARG 45 5.817 -5.676 4.021 321 HB3 ARG 45 1HB ARG 45 5.459 -7.396 3.750 322 HG2 ARG 45 2HG ARG 45 7.877 -7.909 3.606 323 HG3 ARG 45 1HG ARG 45 8.200 -6.259 4.134 324 HD2 ARG 45 2HD ARG 45 7.015 -6.633 6.193 325 HD3 ARG 45 1HD ARG 45 6.525 -8.240 5.662 326 HE ARG 45 HE ARG 45 9.223 -7.389 6.398 327 HH11 ARG 45 1HH1 ARG 45 7.008 -10.081 5.561 328 HH12 ARG 45 2HH1 ARG 45 7.909 -11.269 6.334 329 HH21 ARG 45 1HH2 ARG 45 10.517 -9.102 7.472 330 HH22 ARG 45 2HH2 ARG 45 9.965 -10.707 7.445 331 H LYS 46 H LYS 46 7.173 -8.621 2.286 332 HA LYS 46 HA LYS 46 5.388 -10.219 0.581 333 HB2 LYS 46 2HB LYS 46 7.717 -10.266 -0.098 334 HB3 LYS 46 1HB LYS 46 8.238 -10.603 1.536 335 HG2 LYS 46 2HG LYS 46 8.469 -12.575 0.174 336 HG3 LYS 46 1HG LYS 46 7.215 -12.839 1.377 337 HD2 LYS 46 2HD LYS 46 5.492 -12.523 -0.293 338 HD3 LYS 46 1HD LYS 46 6.701 -12.079 -1.505 339 HE2 LYS 46 2HE LYS 46 7.693 -14.308 -1.354 340 HE3 LYS 46 1HE LYS 46 6.534 -14.753 -0.105 341 HZ1 LYS 46 3HZ LYS 46 5.743 -13.990 -2.882 342 HZ2 LYS 46 1HZ LYS 46 4.765 -14.617 -1.672 343 HZ3 LYS 46 2HZ LYS 46 5.903 -15.587 -2.338 344 H GLY 47 H GLY 47 4.202 -11.806 1.504 345 HA2 GLY 47 2HA GLY 47 3.434 -13.319 3.063 346 HA3 GLY 47 1HA GLY 47 4.850 -12.979 4.066 347 H LYS 48 H LYS 48 3.067 -10.354 2.888 348 HA LYS 48 HA LYS 48 2.264 -9.657 5.579 349 HB2 LYS 48 2HB LYS 48 3.388 -7.977 4.333 350 HB3 LYS 48 1HB LYS 48 2.416 -8.264 2.918 351 HG2 LYS 48 2HG LYS 48 1.217 -7.093 5.428 352 HG3 LYS 48 1HG LYS 48 2.090 -6.078 4.280 353 HD2 LYS 48 2HD LYS 48 0.553 -6.739 2.506 354 HD3 LYS 48 1HD LYS 48 -0.287 -7.816 3.620 355 HE2 LYS 48 2HE LYS 48 -0.914 -5.889 4.985 356 HE3 LYS 48 1HE LYS 48 -0.121 -4.805 3.848 357 HZ1 LYS 48 3HZ LYS 48 -2.495 -4.936 3.397 358 HZ2 LYS 48 1HZ LYS 48 -2.381 -6.621 3.301 359 HZ3 LYS 48 2HZ LYS 48 -1.650 -5.646 2.113 360 HA PRO 49 HA PRO 49 -1.901 -11.282 4.998 361 HB2 PRO 49 2HB PRO 49 -2.740 -9.032 6.756 362 HB3 PRO 49 1HB PRO 49 -3.021 -10.775 6.960 363 HG2 PRO 49 2HG PRO 49 -1.263 -9.542 8.484 364 HG3 PRO 49 1HG PRO 49 -0.940 -11.168 7.849 365 HD2 PRO 49 2HD PRO 49 0.177 -8.553 6.948 366 HD3 PRO 49 1HD PRO 49 0.958 -10.144 7.086 367 H CYS 50 H CYS 50 -2.898 -10.874 3.087 368 HA CYS 50 HA CYS 50 -3.611 -8.139 2.536 369 HB2 CYS 50 2HB CYS 50 -3.543 -8.642 0.166 370 HB3 CYS 50 1HB CYS 50 -2.018 -9.090 0.897 371 H THR 51 H THR 51 -5.457 -8.959 0.373 372 HA THR 51 HA THR 51 -7.832 -9.119 1.782 373 HB THR 51 HB THR 51 -8.724 -9.658 -0.551 374 HG1 THR 51 1HG THR 51 -7.312 -9.829 -2.172 375 HG21 THR 51 3HG2 THR 51 -8.094 -7.479 -1.432 376 HG22 THR 51 1HG2 THR 51 -6.752 -7.437 -0.294 377 HG23 THR 51 2HG2 THR 51 -8.420 -7.351 0.313 378 H VAL 52 H VAL 52 -6.315 -11.405 -0.269 379 HA VAL 52 HA VAL 52 -8.134 -13.485 0.623 380 HB VAL 52 HB VAL 52 -7.440 -14.757 -1.351 381 HG11 VAL 52 1HG1 VAL 52 -8.285 -11.886 -1.778 382 HG12 VAL 52 2HG1 VAL 52 -9.337 -13.286 -1.546 383 HG13 VAL 52 3HG1 VAL 52 -8.382 -13.132 -3.023 384 HG21 VAL 52 3HG2 VAL 52 -5.117 -13.799 -1.442 385 HG22 VAL 52 1HG2 VAL 52 -5.781 -12.330 -2.148 386 HG23 VAL 52 2HG2 VAL 52 -5.926 -13.859 -3.003 387 H GLY 53 H GLY 53 -4.856 -12.712 1.197 388 HA2 GLY 53 2HA GLY 53 -4.519 -14.725 2.980 389 HA3 GLY 53 1HA GLY 53 -3.871 -15.310 1.440 390 H PHE 54 H PHE 54 -1.802 -14.977 1.176 391 HA PHE 54 HA PHE 54 -0.500 -12.932 2.823 392 HB2 PHE 54 2HB PHE 54 0.730 -15.267 1.334 393 HB3 PHE 54 1HB PHE 54 1.623 -14.066 2.267 394 HD1 PHE 54 1HD PHE 54 1.376 -13.966 4.709 395 HD2 PHE 54 2HD PHE 54 -0.417 -17.059 2.406 396 HE1 PHE 54 1HE PHE 54 1.083 -15.308 6.749 397 HE2 PHE 54 2HE PHE 54 -0.718 -18.408 4.440 398 HZ PHE 54 HZ PHE 54 0.032 -17.533 6.617 399 H CYS 55 H CYS 55 1.023 -11.609 1.908 400 HA CYS 55 HA CYS 55 0.192 -10.775 -0.750 401 HB2 CYS 55 2HB CYS 55 -0.087 -9.223 1.095 402 HB3 CYS 55 1HB CYS 55 1.609 -9.384 1.476 403 H ASP 56 H ASP 56 1.685 -10.256 -2.351 404 HA ASP 56 HA ASP 56 4.416 -10.996 -1.801 405 HB2 ASP 56 2HB ASP 56 3.247 -12.698 -3.142 406 HB3 ASP 56 1HB ASP 56 2.788 -11.431 -4.283 407 H MET 57 H MET 57 5.899 -9.885 -3.326 408 HA MET 57 HA MET 57 5.929 -7.192 -3.261 409 HB2 MET 57 2HB MET 57 7.681 -8.978 -3.495 410 HB3 MET 57 1HB MET 57 7.263 -9.054 -5.189 411 HG2 MET 57 2HG MET 57 8.172 -6.664 -3.761 412 HG3 MET 57 1HG MET 57 9.261 -7.797 -4.577 413 HE1 MET 57 3HE MET 57 9.511 -4.747 -5.307 414 HE2 MET 57 1HE MET 57 9.493 -4.764 -7.070 415 HE3 MET 57 2HE MET 57 10.386 -6.001 -6.186 416 H ASN 58 H ASN 58 5.058 -9.385 -5.913 417 HA ASN 58 HA ASN 58 4.976 -7.567 -8.046 418 HB2 ASN 58 2HB ASN 58 4.989 -9.957 -8.444 419 HB3 ASN 58 1HB ASN 58 3.438 -10.141 -7.638 420 HD21 ASN 58 1HD2 ASN 58 1.497 -9.556 -8.785 421 HD22 ASN 58 2HD2 ASN 58 1.557 -9.234 -10.472 422 H GLY 59 H GLY 59 2.663 -8.281 -5.615 423 HA2 GLY 59 2HA GLY 59 0.749 -6.878 -5.230 424 HA3 GLY 59 1HA GLY 59 0.665 -6.597 -6.981 425 H LYS 60 H LYS 60 0.938 -9.287 -4.787 426 HA LYS 60 HA LYS 60 -1.176 -10.819 -6.078 427 HB2 LYS 60 2HB LYS 60 0.299 -11.714 -7.467 428 HB3 LYS 60 1HB LYS 60 1.689 -11.055 -6.540 429 HG2 LYS 60 2HG LYS 60 1.492 -13.041 -5.055 430 HG3 LYS 60 1HG LYS 60 0.181 -13.643 -6.069 431 HD2 LYS 60 2HD LYS 60 1.641 -13.892 -7.953 432 HD3 LYS 60 1HD LYS 60 2.936 -13.021 -7.136 433 HE2 LYS 60 2HE LYS 60 1.815 -15.681 -6.244 434 HE3 LYS 60 1HE LYS 60 3.287 -15.480 -7.193 435 HZ1 LYS 60 3HZ LYS 60 2.833 -14.342 -4.497 436 HZ2 LYS 60 1HZ LYS 60 4.287 -14.256 -5.312 437 HZ3 LYS 60 2HZ LYS 60 3.677 -15.722 -4.721 438 H CYS 61 H CYS 61 -1.680 -12.457 -5.049 439 HA CYS 61 HA CYS 61 -0.828 -12.438 -2.293 440 HB2 CYS 61 2HB CYS 61 -3.387 -12.223 -3.580 441 HB3 CYS 61 1HB CYS 61 -3.368 -13.040 -1.974 442 H GLU 62 H GLU 62 -1.000 -14.372 -1.261 443 HA GLU 62 HA GLU 62 -1.164 -16.711 -2.945 444 HB2 GLU 62 2HB GLU 62 0.802 -16.144 -0.699 445 HB3 GLU 62 1HB GLU 62 0.758 -17.602 -1.688 446 HG2 GLU 62 2HG GLU 62 1.384 -16.385 -3.646 447 HG3 GLU 62 1HG GLU 62 1.200 -14.851 -2.814 Start of MODEL 10 1 H PHE 1 1HT PHE 1 5.613 1.668 6.279 2 HA PHE 1 HA PHE 1 6.110 2.421 4.023 3 HB2 PHE 1 2HB PHE 1 4.085 1.350 2.881 4 HB3 PHE 1 1HB PHE 1 5.095 0.324 3.906 5 HD1 PHE 1 2HD PHE 1 4.158 -0.436 6.073 6 HD2 PHE 1 1HD PHE 1 1.827 1.789 3.300 7 HE1 PHE 1 2HE PHE 1 2.105 -1.178 7.206 8 HE2 PHE 1 1HE PHE 1 -0.220 1.046 4.408 9 HZ PHE 1 HZ PHE 1 -0.089 -0.440 6.373 10 H CYS 2 H CYS 2 3.192 3.849 5.214 11 HA CYS 2 HA CYS 2 3.806 5.963 3.322 12 HB2 CYS 2 2HB CYS 2 1.779 4.629 2.697 13 HB3 CYS 2 1HB CYS 2 1.042 5.170 4.204 14 H GLU 3 H GLU 3 3.331 5.017 6.505 15 HA GLU 3 HA GLU 3 2.049 7.203 7.768 16 HB2 GLU 3 2HB GLU 3 3.997 5.398 9.164 17 HB3 GLU 3 1HB GLU 3 2.552 6.145 9.805 18 HG2 GLU 3 2HG GLU 3 2.076 3.867 9.679 19 HG3 GLU 3 1HG GLU 3 1.273 4.595 8.270 20 H ARG 4 H ARG 4 5.387 6.366 7.462 21 HA ARG 4 HA ARG 4 5.945 8.862 8.697 22 HB2 ARG 4 2HB ARG 4 7.107 7.153 9.834 23 HB3 ARG 4 1HB ARG 4 7.664 6.425 8.349 24 HG2 ARG 4 2HG ARG 4 9.384 7.605 9.831 25 HG3 ARG 4 1HG ARG 4 9.412 7.966 8.112 26 HD2 ARG 4 2HD ARG 4 9.705 9.936 9.656 27 HD3 ARG 4 1HD ARG 4 8.442 10.093 8.448 28 HE ARG 4 HE ARG 4 7.871 9.373 11.241 29 HH11 ARG 4 1HH1 ARG 4 7.140 11.247 8.303 30 HH12 ARG 4 2HH1 ARG 4 6.018 12.281 9.046 31 HH21 ARG 4 1HH2 ARG 4 6.203 10.830 12.277 32 HH22 ARG 4 2HH2 ARG 4 5.462 12.017 11.301 33 H GLU 5 H GLU 5 6.443 7.051 5.856 34 HA GLU 5 HA GLU 5 8.179 8.586 4.447 35 HB2 GLU 5 2HB GLU 5 5.943 6.796 3.497 36 HB3 GLU 5 1HB GLU 5 7.347 7.284 2.557 37 HG2 GLU 5 2HG GLU 5 8.006 5.144 3.281 38 HG3 GLU 5 1HG GLU 5 8.686 6.236 4.498 39 H GLN 6 H GLN 6 4.531 8.701 4.358 40 HA GLN 6 HA GLN 6 4.797 11.276 2.901 41 HB2 GLN 6 2HB GLN 6 2.443 9.405 2.974 42 HB3 GLN 6 1HB GLN 6 2.578 10.878 2.042 43 HG2 GLN 6 2HG GLN 6 4.089 8.331 1.638 44 HG3 GLN 6 1HG GLN 6 2.704 8.970 0.717 45 HE21 GLN 6 1HE2 GLN 6 3.066 10.664 -0.745 46 HE22 GLN 6 2HE2 GLN 6 4.656 11.103 -1.267 47 H GLN 7 H GLN 7 4.290 9.966 5.833 48 HA GLN 7 HA GLN 7 2.924 9.924 7.340 49 HB2 GLN 7 2HB GLN 7 2.475 12.332 8.387 50 HB3 GLN 7 1HB GLN 7 4.044 11.541 8.423 51 HG2 GLN 7 2HG GLN 7 4.588 12.635 6.382 52 HG3 GLN 7 1HG GLN 7 3.115 13.605 6.468 53 HE21 GLN 7 1HE2 GLN 7 4.130 15.564 6.746 54 HE22 GLN 7 2HE2 GLN 7 4.998 16.013 8.177 55 H LEU 8 H LEU 8 1.587 9.141 5.675 56 HA LEU 8 HA LEU 8 -1.162 10.196 5.956 57 HB2 LEU 8 2HB LEU 8 0.154 8.500 3.855 58 HB3 LEU 8 1HB LEU 8 -1.581 8.654 4.061 59 HG LEU 8 HG LEU 8 0.098 11.025 3.720 60 HD11 LEU 8 1HD1 LEU 8 -0.455 10.859 1.205 61 HD12 LEU 8 2HD1 LEU 8 -1.050 9.223 1.522 62 HD13 LEU 8 3HD1 LEU 8 0.656 9.595 1.729 63 HD21 LEU 8 3HD2 LEU 8 -2.768 10.395 3.074 64 HD22 LEU 8 1HD2 LEU 8 -1.988 11.939 2.729 65 HD23 LEU 8 2HD2 LEU 8 -2.163 11.394 4.396 66 H GLU 9 H GLU 9 -2.590 8.780 6.275 67 HA GLU 9 HA GLU 9 -1.842 6.736 8.191 68 HB2 GLU 9 2HB GLU 9 -4.015 8.143 8.202 69 HB3 GLU 9 1HB GLU 9 -4.461 7.045 6.885 70 HG2 GLU 9 2HG GLU 9 -4.325 5.147 8.362 71 HG3 GLU 9 1HG GLU 9 -3.900 6.214 9.708 72 H SER 10 H SER 10 -2.063 4.528 7.802 73 HA SER 10 HA SER 10 -1.699 3.721 5.119 74 HB2 SER 10 2HB SER 10 -1.120 1.730 6.218 75 HB3 SER 10 1HB SER 10 -0.403 3.236 6.951 76 HG SER 10 HG SER 10 -2.777 2.396 8.057 77 H CYS 11 H CYS 11 -2.989 2.129 4.157 78 HA CYS 11 HA CYS 11 -5.149 0.913 5.497 79 HB2 CYS 11 2HB CYS 11 -6.235 3.221 4.946 80 HB3 CYS 11 1HB CYS 11 -5.986 2.811 3.254 81 H ALA 12 H ALA 12 -6.559 -0.106 3.455 82 HA ALA 12 HA ALA 12 -4.514 -1.210 1.669 83 HB1 ALA 12 1HB ALA 12 -5.688 -3.366 1.785 84 HB2 ALA 12 2HB ALA 12 -6.820 -2.683 2.953 85 HB3 ALA 12 3HB ALA 12 -5.118 -2.863 3.377 86 H CYS 13 H CYS 13 -5.134 -1.447 -0.431 87 HA CYS 13 HA CYS 13 -7.373 0.090 -1.459 88 HB2 CYS 13 2HB CYS 13 -5.436 -1.743 -2.793 89 HB3 CYS 13 1HB CYS 13 -6.559 -0.708 -3.559 90 H ASN 14 H ASN 14 -8.473 -1.756 0.101 91 HA ASN 14 HA ASN 14 -9.129 -4.089 0.360 92 HB2 ASN 14 2HB ASN 14 -10.866 -2.313 0.435 93 HB3 ASN 14 1HB ASN 14 -11.130 -2.676 -1.276 94 HD21 ASN 14 1HD2 ASN 14 -12.450 -4.394 -1.826 95 HD22 ASN 14 2HD2 ASN 14 -13.217 -5.409 -0.653 96 H GLU 15 H GLU 15 -8.680 -3.307 -2.927 97 HA GLU 15 HA GLU 15 -9.813 -5.479 -4.127 98 HB2 GLU 15 2HB GLU 15 -9.126 -3.324 -5.221 99 HB3 GLU 15 1HB GLU 15 -7.456 -3.789 -4.995 100 HG2 GLU 15 2HG GLU 15 -9.382 -5.308 -6.744 101 HG3 GLU 15 1HG GLU 15 -8.340 -4.014 -7.324 102 H THR 16 H THR 16 -8.464 -7.362 -5.015 103 HA THR 16 HA THR 16 -7.170 -8.720 -2.984 104 HB THR 16 HB THR 16 -7.148 -9.246 -5.948 105 HG1 THR 16 1HG THR 16 -9.117 -9.684 -5.630 106 HG21 THR 16 3HG2 THR 16 -6.625 -11.181 -3.655 107 HG22 THR 16 1HG2 THR 16 -5.389 -10.441 -4.688 108 HG23 THR 16 2HG2 THR 16 -6.584 -11.547 -5.380 109 H ASP 17 H ASP 17 -5.651 -7.510 -5.944 110 HA ASP 17 HA ASP 17 -3.268 -8.336 -4.676 111 HB2 ASP 17 2HB ASP 17 -3.853 -7.226 -7.314 112 HB3 ASP 17 1HB ASP 17 -2.176 -7.346 -6.769 113 H ASN 18 H ASN 18 -4.963 -5.351 -5.267 114 HA ASN 18 HA ASN 18 -2.695 -3.810 -4.672 115 HB2 ASN 18 2HB ASN 18 -5.590 -3.095 -5.042 116 HB3 ASN 18 1HB ASN 18 -4.405 -1.913 -4.492 117 HD21 ASN 18 1HD2 ASN 18 -5.286 -4.040 -7.144 118 HD22 ASN 18 2HD2 ASN 18 -4.379 -3.188 -8.340 119 H SER 19 H SER 19 -4.395 -5.742 -2.719 120 HA SER 19 HA SER 19 -4.090 -4.016 -0.430 121 HB2 SER 19 2HB SER 19 -4.592 -6.094 0.960 122 HB3 SER 19 1HB SER 19 -5.846 -5.694 -0.226 123 HG SER 19 HG SER 19 -4.646 -7.348 -1.564 124 H CYS 20 H CYS 20 -1.912 -5.370 -2.369 125 HA CYS 20 HA CYS 20 0.094 -5.947 -0.312 126 HB2 CYS 20 2HB CYS 20 -0.173 -6.724 -3.181 127 HB3 CYS 20 1HB CYS 20 1.267 -7.087 -2.256 128 H LYS 21 H LYS 21 -0.864 -3.300 -1.954 129 HA LYS 21 HA LYS 21 1.784 -2.270 -2.265 130 HB2 LYS 21 2HB LYS 21 0.811 -2.925 -4.450 131 HB3 LYS 21 1HB LYS 21 -0.732 -2.267 -3.961 132 HG2 LYS 21 2HG LYS 21 1.565 -0.576 -3.898 133 HG3 LYS 21 1HG LYS 21 0.940 -1.019 -5.524 134 HD2 LYS 21 2HD LYS 21 -1.269 -0.227 -4.775 135 HD3 LYS 21 1HD LYS 21 -0.559 0.216 -3.228 136 HE2 LYS 21 2HE LYS 21 0.221 1.376 -5.919 137 HE3 LYS 21 1HE LYS 21 -0.787 2.180 -4.715 138 HZ1 LYS 21 3HZ LYS 21 1.461 2.960 -4.602 139 HZ2 LYS 21 1HZ LYS 21 2.048 1.392 -4.361 140 HZ3 LYS 21 2HZ LYS 21 1.060 2.140 -3.184 141 H VAL 22 H VAL 22 2.062 -0.432 -1.885 142 HA VAL 22 HA VAL 22 1.024 0.284 0.570 143 HB VAL 22 HB VAL 22 2.632 1.944 -1.356 144 HG11 VAL 22 1HG1 VAL 22 3.255 3.194 0.663 145 HG12 VAL 22 2HG1 VAL 22 1.987 2.272 1.534 146 HG13 VAL 22 3HG1 VAL 22 1.551 3.301 0.179 147 HG21 VAL 22 3HG2 VAL 22 3.488 -0.327 -0.691 148 HG22 VAL 22 1HG2 VAL 22 3.482 0.187 0.977 149 HG23 VAL 22 2HG2 VAL 22 4.547 1.005 -0.163 150 H CYS 23 H CYS 23 -0.848 0.703 0.691 151 HA CYS 23 HA CYS 23 -2.035 2.929 -0.841 152 HB2 CYS 23 2HB CYS 23 -3.560 1.084 0.974 153 HB3 CYS 23 1HB CYS 23 -4.174 2.177 -0.272 154 H CYS 24 H CYS 24 -2.830 4.693 0.209 155 HA CYS 24 HA CYS 24 -2.151 4.937 3.045 156 HB2 CYS 24 2HB CYS 24 -2.287 7.093 0.920 157 HB3 CYS 24 1HB CYS 24 -1.680 7.272 2.558 158 H ARG 25 H ARG 25 -3.677 6.922 3.883 159 HA ARG 25 HA ARG 25 -6.273 6.501 2.639 160 HB2 ARG 25 2HB ARG 25 -5.729 5.326 4.884 161 HB3 ARG 25 1HB ARG 25 -5.787 6.950 5.543 162 HG2 ARG 25 2HG ARG 25 -8.074 6.045 3.937 163 HG3 ARG 25 1HG ARG 25 -7.899 5.364 5.566 164 HD2 ARG 25 2HD ARG 25 -8.033 8.310 4.818 165 HD3 ARG 25 1HD ARG 25 -9.373 7.366 5.474 166 HE ARG 25 HE ARG 25 -7.460 7.019 7.325 167 HH11 ARG 25 1HH1 ARG 25 -8.617 10.003 5.817 168 HH12 ARG 25 2HH1 ARG 25 -8.521 10.942 7.239 169 HH21 ARG 25 1HH2 ARG 25 -7.227 8.254 9.218 170 HH22 ARG 25 2HH2 ARG 25 -7.670 9.889 9.299 171 H ASP 26 H ASP 26 -7.285 8.382 2.141 172 HA ASP 26 HA ASP 26 -5.622 10.688 2.488 173 HB2 ASP 26 2HB ASP 26 -6.540 11.513 0.523 174 HB3 ASP 26 1HB ASP 26 -6.585 9.780 0.223 175 H LEU 27 H LEU 27 -7.140 12.552 2.258 176 HA LEU 27 HA LEU 27 -8.028 13.020 4.802 177 HB2 LEU 27 2HB LEU 27 -8.980 15.153 3.698 178 HB3 LEU 27 1HB LEU 27 -7.250 15.010 4.084 179 HG LEU 27 HG LEU 27 -7.140 14.274 1.549 180 HD11 LEU 27 1HD1 LEU 27 -9.758 15.755 1.541 181 HD12 LEU 27 2HD1 LEU 27 -9.520 14.050 1.161 182 HD13 LEU 27 3HD1 LEU 27 -8.825 15.290 0.119 183 HD21 LEU 27 3HD2 LEU 27 -6.909 16.600 0.840 184 HD22 LEU 27 1HD2 LEU 27 -6.140 16.309 2.400 185 HD23 LEU 27 2HD2 LEU 27 -7.701 17.129 2.325 186 H SER 28 H SER 28 -9.839 12.403 1.965 187 HA SER 28 HA SER 28 -12.279 13.069 3.242 188 HB2 SER 28 2HB SER 28 -12.021 13.700 0.913 189 HB3 SER 28 1HB SER 28 -11.717 12.025 0.466 190 HG SER 28 HG SER 28 -13.972 11.912 1.655 191 H GLY 29 H GLY 29 -10.246 10.566 3.333 192 HA2 GLY 29 2HA GLY 29 -10.421 8.865 4.531 193 HA3 GLY 29 1HA GLY 29 -12.187 8.977 4.626 194 H ARG 30 H ARG 30 -10.093 8.623 1.727 195 HA ARG 30 HA ARG 30 -11.324 5.999 1.339 196 HB2 ARG 30 2HB ARG 30 -10.099 7.872 -0.711 197 HB3 ARG 30 1HB ARG 30 -10.567 6.221 -1.052 198 HG2 ARG 30 2HG ARG 30 -12.259 7.613 -1.929 199 HG3 ARG 30 1HG ARG 30 -12.928 6.895 -0.468 200 HD2 ARG 30 2HD ARG 30 -13.454 9.304 -0.712 201 HD3 ARG 30 1HD ARG 30 -12.551 8.937 0.756 202 HE ARG 30 HE ARG 30 -10.626 9.876 -0.180 203 HH11 ARG 30 1HH1 ARG 30 -13.422 10.324 -2.303 204 HH12 ARG 30 2HH1 ARG 30 -12.818 11.723 -3.069 205 HH21 ARG 30 1HH2 ARG 30 -9.837 11.782 -1.114 206 HH22 ARG 30 2HH2 ARG 30 -10.638 12.602 -2.385 207 H CYS 31 H CYS 31 -9.971 4.316 0.729 208 HA CYS 31 HA CYS 31 -7.226 4.644 1.574 209 HB2 CYS 31 2HB CYS 31 -8.731 2.168 0.696 210 HB3 CYS 31 1HB CYS 31 -7.169 2.206 1.515 211 H VAL 32 H VAL 32 -5.740 5.092 0.102 212 HA VAL 32 HA VAL 32 -6.493 4.674 -2.571 213 HB VAL 32 HB VAL 32 -5.120 6.855 -3.059 214 HG11 VAL 32 1HG1 VAL 32 -7.882 6.866 -1.844 215 HG12 VAL 32 2HG1 VAL 32 -7.439 6.492 -3.517 216 HG13 VAL 32 3HG1 VAL 32 -7.200 8.131 -2.889 217 HG21 VAL 32 3HG2 VAL 32 -6.010 7.291 -0.199 218 HG22 VAL 32 1HG2 VAL 32 -5.300 8.522 -1.235 219 HG23 VAL 32 2HG2 VAL 32 -4.343 7.115 -0.715 220 HA PRO 33 HA PRO 33 -2.560 2.688 -3.048 221 HB2 PRO 33 2HB PRO 33 -2.330 3.080 -5.778 222 HB3 PRO 33 1HB PRO 33 -3.350 1.814 -5.062 223 HG2 PRO 33 2HG PRO 33 -4.131 4.474 -6.123 224 HG3 PRO 33 1HG PRO 33 -4.958 2.908 -6.267 225 HD2 PRO 33 2HD PRO 33 -5.784 4.770 -4.500 226 HD3 PRO 33 1HD PRO 33 -5.867 3.029 -4.162 227 H TYR 34 H TYR 34 -0.554 3.726 -2.431 228 HA TYR 34 HA TYR 34 -0.383 6.438 -3.093 229 HB2 TYR 34 2HB TYR 34 0.549 6.236 -1.158 230 HB3 TYR 34 1HB TYR 34 1.257 4.627 -1.440 231 HD1 TYR 34 1HD TYR 34 1.674 8.246 -2.629 232 HD2 TYR 34 2HD TYR 34 3.594 4.590 -1.517 233 HE1 TYR 34 1HE TYR 34 3.771 9.239 -2.999 234 HE2 TYR 34 2HE TYR 34 5.774 5.675 -1.898 235 HH TYR 34 HH TYR 34 5.977 9.074 -2.570 236 H VAL 35 H VAL 35 0.201 7.391 -4.682 237 HA VAL 35 HA VAL 35 2.735 6.945 -5.820 238 HB VAL 35 HB VAL 35 0.934 8.147 -7.599 239 HG11 VAL 35 1HG1 VAL 35 3.074 7.566 -8.112 240 HG12 VAL 35 2HG1 VAL 35 1.985 6.831 -9.295 241 HG13 VAL 35 3HG1 VAL 35 2.746 5.832 -8.034 242 HG21 VAL 35 3HG2 VAL 35 0.289 5.216 -7.232 243 HG22 VAL 35 1HG2 VAL 35 -0.394 6.264 -8.486 244 HG23 VAL 35 2HG2 VAL 35 -0.739 6.558 -6.758 245 H ASP 36 H ASP 36 3.517 9.043 -5.761 246 HA ASP 36 HA ASP 36 1.575 11.240 -5.397 247 HB2 ASP 36 2HB ASP 36 3.432 12.395 -4.344 248 HB3 ASP 36 1HB ASP 36 3.017 10.874 -3.538 249 H ALA 37 H ALA 37 3.259 13.076 -5.933 250 HA ALA 37 HA ALA 37 1.746 13.068 -8.198 251 HB1 ALA 37 1HB ALA 37 2.102 15.462 -8.145 252 HB2 ALA 37 2HB ALA 37 3.449 15.136 -6.996 253 HB3 ALA 37 3HB ALA 37 1.793 14.637 -6.576 254 H GLU 38 H GLU 38 5.030 12.632 -7.386 255 HA GLU 38 HA GLU 38 6.091 13.149 -9.840 256 HB2 GLU 38 2HB GLU 38 6.943 11.817 -7.411 257 HB3 GLU 38 1HB GLU 38 8.123 12.188 -8.706 258 HG2 GLU 38 2HG GLU 38 8.445 14.138 -7.535 259 HG3 GLU 38 1HG GLU 38 6.803 14.557 -8.057 260 H GLN 39 H GLN 39 4.003 10.639 -8.704 261 HA GLN 39 HA GLN 39 3.411 8.836 -9.318 262 HB2 GLN 39 2HB GLN 39 5.323 9.515 -11.321 263 HB3 GLN 39 1HB GLN 39 4.507 7.919 -11.495 264 HG2 GLN 39 2HG GLN 39 2.370 9.173 -11.514 265 HG3 GLN 39 1HG GLN 39 3.277 10.672 -11.317 266 HE21 GLN 39 1HE2 GLN 39 5.373 9.838 -13.145 267 HE22 GLN 39 2HE2 GLN 39 4.701 9.936 -14.742 268 H LYS 40 H LYS 40 5.593 9.130 -7.331 269 HA LYS 40 HA LYS 40 7.212 6.822 -7.755 270 HB2 LYS 40 2HB LYS 40 6.715 8.449 -5.329 271 HB3 LYS 40 1HB LYS 40 7.990 7.201 -5.547 272 HG2 LYS 40 2HG LYS 40 8.789 8.620 -7.429 273 HG3 LYS 40 1HG LYS 40 7.636 9.848 -6.854 274 HD2 LYS 40 2HD LYS 40 10.020 8.753 -5.301 275 HD3 LYS 40 1HD LYS 40 9.922 10.358 -6.013 276 HE2 LYS 40 2HE LYS 40 8.185 9.282 -3.784 277 HE3 LYS 40 1HE LYS 40 9.514 10.421 -3.606 278 HZ1 LYS 40 3HZ LYS 40 8.165 12.116 -4.831 279 HZ2 LYS 40 1HZ LYS 40 7.257 11.402 -3.630 280 HZ3 LYS 40 2HZ LYS 40 7.010 10.923 -5.133 281 H ASN 41 H ASN 41 6.895 4.970 -6.889 282 HA ASN 41 HA ASN 41 4.265 4.525 -5.679 283 HB2 ASN 41 2HB ASN 41 4.842 4.021 -8.161 284 HB3 ASN 41 1HB ASN 41 5.673 2.658 -7.438 285 HD21 ASN 41 1HD2 ASN 41 3.319 2.722 -9.209 286 HD22 ASN 41 2HD2 ASN 41 2.088 1.809 -8.423 287 H LEU 42 H LEU 42 4.351 2.123 -4.872 288 HA LEU 42 HA LEU 42 6.873 1.161 -3.820 289 HB2 LEU 42 2HB LEU 42 4.719 2.145 -2.004 290 HB3 LEU 42 1HB LEU 42 6.037 1.109 -1.510 291 HG LEU 42 HG LEU 42 6.319 3.931 -2.487 292 HD11 LEU 42 1HD1 LEU 42 6.505 2.800 0.317 293 HD12 LEU 42 2HD1 LEU 42 5.050 3.489 -0.356 294 HD13 LEU 42 3HD1 LEU 42 6.486 4.519 -0.151 295 HD21 LEU 42 3HD2 LEU 42 8.586 3.734 -1.545 296 HD22 LEU 42 1HD2 LEU 42 8.329 2.559 -2.835 297 HD23 LEU 42 2HD2 LEU 42 8.272 2.044 -1.149 298 H PHE 43 H PHE 43 6.689 -0.890 -2.932 299 HA PHE 43 HA PHE 43 4.259 -2.271 -3.242 300 HB2 PHE 43 2HB PHE 43 5.777 -3.226 -4.743 301 HB3 PHE 43 1HB PHE 43 7.135 -2.817 -3.713 302 HD1 PHE 43 2HD PHE 43 4.100 -5.005 -3.276 303 HD2 PHE 43 1HD PHE 43 8.344 -4.680 -3.176 304 HE1 PHE 43 2HE PHE 43 4.275 -7.354 -2.524 305 HE2 PHE 43 1HE PHE 43 8.513 -7.016 -2.434 306 HZ PHE 43 HZ PHE 43 6.476 -8.352 -2.110 307 H LEU 44 H LEU 44 3.683 -3.619 -1.295 308 HA LEU 44 HA LEU 44 4.600 -2.630 1.030 309 HB2 LEU 44 2HB LEU 44 2.431 -4.135 0.181 310 HB3 LEU 44 1HB LEU 44 3.264 -5.221 1.262 311 HG LEU 44 HG LEU 44 1.504 -4.100 2.452 312 HD11 LEU 44 1HD1 LEU 44 4.156 -2.985 3.306 313 HD12 LEU 44 2HD1 LEU 44 3.471 -4.546 3.758 314 HD13 LEU 44 3HD1 LEU 44 2.697 -3.054 4.293 315 HD21 LEU 44 3HD2 LEU 44 1.263 -2.138 1.052 316 HD22 LEU 44 1HD2 LEU 44 2.804 -1.523 1.642 317 HD23 LEU 44 2HD2 LEU 44 1.439 -1.679 2.747 318 H ARG 45 H ARG 45 5.246 -4.603 2.768 319 HA ARG 45 HA ARG 45 7.579 -5.830 1.770 320 HB2 ARG 45 2HB ARG 45 6.142 -5.684 4.303 321 HB3 ARG 45 1HB ARG 45 7.541 -6.795 4.182 322 HG2 ARG 45 2HG ARG 45 8.890 -4.767 3.546 323 HG3 ARG 45 1HG ARG 45 7.463 -3.778 3.861 324 HD2 ARG 45 2HD ARG 45 7.452 -4.531 6.186 325 HD3 ARG 45 1HD ARG 45 8.861 -5.544 5.873 326 HE ARG 45 HE ARG 45 9.463 -2.936 5.122 327 HH11 ARG 45 1HH1 ARG 45 8.862 -4.765 8.102 328 HH12 ARG 45 2HH1 ARG 45 9.802 -3.776 9.109 329 HH21 ARG 45 1HH2 ARG 45 10.798 -1.523 6.521 330 HH22 ARG 45 2HH2 ARG 45 10.935 -1.861 8.173 331 H LYS 46 H LYS 46 7.924 -8.236 2.273 332 HA LYS 46 HA LYS 46 5.770 -9.699 1.060 333 HB2 LYS 46 2HB LYS 46 8.504 -10.533 1.941 334 HB3 LYS 46 1HB LYS 46 7.299 -11.686 1.402 335 HG2 LYS 46 2HG LYS 46 7.182 -10.260 -0.721 336 HG3 LYS 46 1HG LYS 46 8.715 -9.572 -0.160 337 HD2 LYS 46 2HD LYS 46 9.741 -11.713 -0.089 338 HD3 LYS 46 1HD LYS 46 8.203 -12.523 -0.370 339 HE2 LYS 46 2HE LYS 46 8.185 -11.185 -2.575 340 HE3 LYS 46 1HE LYS 46 9.917 -11.003 -2.276 341 HZ1 LYS 46 3HZ LYS 46 9.405 -12.964 -3.621 342 HZ2 LYS 46 1HZ LYS 46 8.410 -13.532 -2.392 343 HZ3 LYS 46 2HZ LYS 46 10.069 -13.452 -2.117 344 H GLY 47 H GLY 47 4.801 -11.540 1.846 345 HA2 GLY 47 2HA GLY 47 3.819 -12.891 3.410 346 HA3 GLY 47 1HA GLY 47 5.044 -12.382 4.589 347 H LYS 48 H LYS 48 3.383 -10.041 2.881 348 HA LYS 48 HA LYS 48 2.160 -9.001 5.261 349 HB2 LYS 48 2HB LYS 48 2.969 -7.320 3.926 350 HB3 LYS 48 1HB LYS 48 2.547 -8.131 2.447 351 HG2 LYS 48 2HG LYS 48 1.295 -6.082 2.676 352 HG3 LYS 48 1HG LYS 48 0.201 -7.447 2.776 353 HD2 LYS 48 2HD LYS 48 0.087 -7.212 5.186 354 HD3 LYS 48 1HD LYS 48 1.261 -5.891 5.134 355 HE2 LYS 48 2HE LYS 48 -1.101 -5.115 5.303 356 HE3 LYS 48 1HE LYS 48 -0.261 -4.507 3.879 357 HZ1 LYS 48 3HZ LYS 48 -2.548 -5.308 3.432 358 HZ2 LYS 48 1HZ LYS 48 -2.078 -6.863 3.876 359 HZ3 LYS 48 2HZ LYS 48 -1.411 -6.102 2.506 360 HA PRO 49 HA PRO 49 -1.583 -11.467 4.715 361 HB2 PRO 49 2HB PRO 49 -2.547 -9.516 6.754 362 HB3 PRO 49 1HB PRO 49 -2.603 -11.292 6.794 363 HG2 PRO 49 2HG PRO 49 -0.895 -10.002 8.315 364 HG3 PRO 49 1HG PRO 49 -0.427 -11.503 7.492 365 HD2 PRO 49 2HD PRO 49 0.284 -8.693 6.800 366 HD3 PRO 49 1HD PRO 49 1.263 -10.173 6.709 367 H CYS 50 H CYS 50 -2.833 -11.035 3.023 368 HA CYS 50 HA CYS 50 -3.889 -8.390 2.751 369 HB2 CYS 50 2HB CYS 50 -3.678 -8.838 0.267 370 HB3 CYS 50 1HB CYS 50 -2.202 -8.580 1.180 371 H THR 51 H THR 51 -5.391 -9.304 0.387 372 HA THR 51 HA THR 51 -7.812 -9.908 1.582 373 HB THR 51 HB THR 51 -8.363 -10.410 -0.897 374 HG1 THR 51 1HG THR 51 -6.075 -9.067 -1.629 375 HG21 THR 51 3HG2 THR 51 -8.291 -8.049 -1.407 376 HG22 THR 51 1HG2 THR 51 -7.064 -7.826 -0.157 377 HG23 THR 51 2HG2 THR 51 -8.724 -8.257 0.307 378 H VAL 52 H VAL 52 -6.107 -11.791 -0.741 379 HA VAL 52 HA VAL 52 -7.605 -14.122 0.030 380 HB VAL 52 HB VAL 52 -6.806 -15.225 -1.971 381 HG11 VAL 52 1HG1 VAL 52 -7.729 -12.390 -2.420 382 HG12 VAL 52 2HG1 VAL 52 -8.752 -13.804 -2.159 383 HG13 VAL 52 3HG1 VAL 52 -7.791 -13.666 -3.635 384 HG21 VAL 52 3HG2 VAL 52 -5.182 -12.721 -2.540 385 HG22 VAL 52 1HG2 VAL 52 -5.369 -14.102 -3.607 386 HG23 VAL 52 2HG2 VAL 52 -4.508 -14.278 -2.079 387 H GLY 53 H GLY 53 -4.289 -13.164 0.285 388 HA2 GLY 53 2HA GLY 53 -3.862 -15.270 2.162 389 HA3 GLY 53 1HA GLY 53 -3.000 -15.447 0.628 390 H PHE 54 H PHE 54 -1.044 -14.647 0.543 391 HA PHE 54 HA PHE 54 -0.380 -12.386 2.302 392 HB2 PHE 54 2HB PHE 54 1.333 -14.780 1.694 393 HB3 PHE 54 1HB PHE 54 1.931 -13.328 2.509 394 HD1 PHE 54 1HD PHE 54 0.865 -12.704 4.723 395 HD2 PHE 54 2HD PHE 54 0.304 -16.499 2.885 396 HE1 PHE 54 1HE PHE 54 0.166 -13.643 6.885 397 HE2 PHE 54 2HE PHE 54 -0.399 -17.445 5.044 398 HZ PHE 54 HZ PHE 54 -0.469 -16.015 7.048 399 H CYS 55 H CYS 55 1.239 -11.052 1.558 400 HA CYS 55 HA CYS 55 1.172 -10.721 -1.320 401 HB2 CYS 55 2HB CYS 55 2.453 -9.050 0.802 402 HB3 CYS 55 1HB CYS 55 2.255 -8.600 -0.884 403 H ASP 56 H ASP 56 2.678 -11.380 -2.595 404 HA ASP 56 HA ASP 56 5.308 -11.540 -1.406 405 HB2 ASP 56 2HB ASP 56 4.354 -13.845 -1.796 406 HB3 ASP 56 1HB ASP 56 4.391 -13.539 -3.528 407 H MET 57 H MET 57 6.399 -12.425 -4.227 408 HA MET 57 HA MET 57 8.058 -10.530 -4.880 409 HB2 MET 57 2HB MET 57 6.545 -12.210 -6.796 410 HB3 MET 57 1HB MET 57 7.901 -11.218 -7.306 411 HG2 MET 57 2HG MET 57 7.929 -13.522 -5.363 412 HG3 MET 57 1HG MET 57 8.529 -13.543 -7.016 413 HE1 MET 57 3HE MET 57 10.360 -14.688 -4.867 414 HE2 MET 57 1HE MET 57 11.891 -13.872 -5.186 415 HE3 MET 57 2HE MET 57 10.885 -14.417 -6.529 416 H ASN 58 H ASN 58 4.861 -10.394 -6.515 417 HA ASN 58 HA ASN 58 5.860 -7.912 -7.798 418 HB2 ASN 58 2HB ASN 58 5.142 -9.991 -9.157 419 HB3 ASN 58 1HB ASN 58 3.499 -9.539 -8.737 420 HD21 ASN 58 1HD2 ASN 58 2.614 -7.643 -9.698 421 HD22 ASN 58 2HD2 ASN 58 3.354 -6.913 -11.083 422 H GLY 59 H GLY 59 4.428 -8.256 -5.104 423 HA2 GLY 59 2HA GLY 59 2.816 -6.959 -3.922 424 HA3 GLY 59 1HA GLY 59 2.634 -6.005 -5.405 425 H LYS 60 H LYS 60 2.411 -9.382 -5.220 426 HA LYS 60 HA LYS 60 -0.488 -9.223 -5.649 427 HB2 LYS 60 2HB LYS 60 1.554 -11.165 -6.636 428 HB3 LYS 60 1HB LYS 60 -0.122 -11.625 -6.425 429 HG2 LYS 60 2HG LYS 60 -0.650 -9.643 -7.910 430 HG3 LYS 60 1HG LYS 60 1.066 -9.684 -8.367 431 HD2 LYS 60 2HD LYS 60 0.055 -11.065 -9.981 432 HD3 LYS 60 1HD LYS 60 0.649 -12.210 -8.783 433 HE2 LYS 60 2HE LYS 60 -2.218 -11.263 -9.159 434 HE3 LYS 60 1HE LYS 60 -1.592 -12.872 -9.463 435 HZ1 LYS 60 3HZ LYS 60 -2.054 -11.546 -6.844 436 HZ2 LYS 60 1HZ LYS 60 -1.176 -13.000 -6.956 437 HZ3 LYS 60 2HZ LYS 60 -2.789 -12.931 -7.406 438 H CYS 61 H CYS 61 -1.700 -10.603 -4.839 439 HA CYS 61 HA CYS 61 -0.831 -11.454 -2.209 440 HB2 CYS 61 2HB CYS 61 -2.629 -9.791 -2.585 441 HB3 CYS 61 1HB CYS 61 -3.496 -11.084 -3.420 442 H GLU 62 H GLU 62 -0.693 -13.489 -1.990 443 HA GLU 62 HA GLU 62 -1.919 -15.324 -3.861 444 HB2 GLU 62 2HB GLU 62 0.754 -15.730 -2.479 445 HB3 GLU 62 1HB GLU 62 0.043 -16.760 -3.700 446 HG2 GLU 62 2HG GLU 62 1.104 -13.959 -4.141 447 HG3 GLU 62 1HG GLU 62 1.932 -15.448 -4.561 Start of MODEL 11 1 H PHE 1 1HT PHE 1 5.374 4.690 5.910 2 HA PHE 1 HA PHE 1 6.149 4.491 3.095 3 HB2 PHE 1 2HB PHE 1 4.484 2.581 2.966 4 HB3 PHE 1 1HB PHE 1 6.007 2.208 3.756 5 HD1 PHE 1 1HD PHE 1 6.021 1.984 6.259 6 HD2 PHE 1 2HD PHE 1 2.426 2.330 4.014 7 HE1 PHE 1 1HE PHE 1 4.756 1.057 8.154 8 HE2 PHE 1 2HE PHE 1 1.158 1.414 5.906 9 HZ PHE 1 HZ PHE 1 2.318 0.777 7.979 10 H CYS 2 H CYS 2 3.407 4.985 5.300 11 HA CYS 2 HA CYS 2 2.506 6.823 3.245 12 HB2 CYS 2 2HB CYS 2 1.025 5.561 5.545 13 HB3 CYS 2 1HB CYS 2 0.350 6.859 4.567 14 H GLU 3 H GLU 3 3.184 6.482 6.624 15 HA GLU 3 HA GLU 3 2.552 9.048 7.515 16 HB2 GLU 3 2HB GLU 3 4.560 8.105 9.239 17 HB3 GLU 3 1HB GLU 3 2.832 8.037 9.478 18 HG2 GLU 3 2HG GLU 3 4.047 5.874 9.842 19 HG3 GLU 3 1HG GLU 3 2.726 5.785 8.688 20 H ARG 4 H ARG 4 5.848 7.742 7.210 21 HA ARG 4 HA ARG 4 7.242 10.000 7.762 22 HB2 ARG 4 2HB ARG 4 8.264 7.841 7.612 23 HB3 ARG 4 1HB ARG 4 7.938 7.758 5.891 24 HG2 ARG 4 2HG ARG 4 9.454 9.744 5.617 25 HG3 ARG 4 1HG ARG 4 9.910 9.527 7.309 26 HD2 ARG 4 2HD ARG 4 11.510 8.417 5.846 27 HD3 ARG 4 1HD ARG 4 10.626 7.232 6.809 28 HE ARG 4 HE ARG 4 9.172 7.353 4.535 29 HH11 ARG 4 1HH1 ARG 4 12.612 6.777 5.087 30 HH12 ARG 4 2HH1 ARG 4 12.834 5.835 3.681 31 HH21 ARG 4 1HH2 ARG 4 9.416 6.114 2.688 32 HH22 ARG 4 2HH2 ARG 4 10.907 5.429 2.209 33 H GLU 5 H GLU 5 6.537 8.849 4.448 34 HA GLU 5 HA GLU 5 7.668 11.077 3.252 35 HB2 GLU 5 2HB GLU 5 6.646 9.914 1.194 36 HB3 GLU 5 1HB GLU 5 8.048 9.264 2.114 37 HG2 GLU 5 2HG GLU 5 5.254 8.256 2.545 38 HG3 GLU 5 1HG GLU 5 6.255 7.614 1.248 39 H GLN 6 H GLN 6 4.222 10.040 3.252 40 HA GLN 6 HA GLN 6 3.760 12.715 2.168 41 HB2 GLN 6 2HB GLN 6 1.633 11.614 1.112 42 HB3 GLN 6 1HB GLN 6 3.191 11.560 0.266 43 HG2 GLN 6 2HG GLN 6 3.426 9.242 1.119 44 HG3 GLN 6 1HG GLN 6 1.820 9.377 1.853 45 HE21 GLN 6 1HE2 GLN 6 2.776 10.770 -1.230 46 HE22 GLN 6 2HE2 GLN 6 1.786 9.751 -2.204 47 H GLN 7 H GLN 7 3.580 11.166 4.664 48 HA GLN 7 HA GLN 7 2.771 11.276 6.470 49 HB2 GLN 7 2HB GLN 7 1.891 14.021 5.642 50 HB3 GLN 7 1HB GLN 7 1.795 13.478 7.313 51 HG2 GLN 7 2HG GLN 7 4.172 13.078 7.368 52 HG3 GLN 7 1HG GLN 7 4.307 13.481 5.662 53 HE21 GLN 7 1HE2 GLN 7 5.766 15.062 6.068 54 HE22 GLN 7 2HE2 GLN 7 5.342 16.585 6.791 55 H LEU 8 H LEU 8 1.000 9.969 4.711 56 HA LEU 8 HA LEU 8 -1.639 10.571 5.778 57 HB2 LEU 8 2HB LEU 8 -0.803 8.466 3.791 58 HB3 LEU 8 1HB LEU 8 -2.400 8.568 4.468 59 HG LEU 8 HG LEU 8 -2.751 9.460 2.490 60 HD11 LEU 8 1HD1 LEU 8 -2.937 11.852 2.523 61 HD12 LEU 8 2HD1 LEU 8 -1.955 11.879 4.001 62 HD13 LEU 8 3HD1 LEU 8 -3.501 11.015 3.974 63 HD21 LEU 8 3HD2 LEU 8 0.035 10.621 2.424 64 HD22 LEU 8 1HD2 LEU 8 -1.204 10.779 1.155 65 HD23 LEU 8 2HD2 LEU 8 -0.650 9.178 1.652 66 H GLU 9 H GLU 9 -2.798 8.843 6.510 67 HA GLU 9 HA GLU 9 -1.443 7.068 8.365 68 HB2 GLU 9 2HB GLU 9 -3.756 8.202 8.664 69 HB3 GLU 9 1HB GLU 9 -4.245 7.065 7.405 70 HG2 GLU 9 2HG GLU 9 -3.740 5.203 8.861 71 HG3 GLU 9 1HG GLU 9 -3.340 6.341 10.159 72 H SER 10 H SER 10 -1.601 4.711 7.948 73 HA SER 10 HA SER 10 -1.478 4.048 5.206 74 HB2 SER 10 2HB SER 10 -0.768 1.982 6.169 75 HB3 SER 10 1HB SER 10 -0.007 3.482 6.868 76 HG SER 10 HG SER 10 -2.245 2.546 8.180 77 H CYS 11 H CYS 11 -2.839 2.290 4.354 78 HA CYS 11 HA CYS 11 -5.171 1.582 5.921 79 HB2 CYS 11 2HB CYS 11 -6.833 2.698 4.652 80 HB3 CYS 11 1HB CYS 11 -5.517 3.801 4.395 81 H ALA 12 H ALA 12 -6.593 0.014 4.390 82 HA ALA 12 HA ALA 12 -4.714 -1.563 2.808 83 HB1 ALA 12 1HB ALA 12 -6.801 -2.595 4.730 84 HB2 ALA 12 2HB ALA 12 -5.056 -2.642 4.982 85 HB3 ALA 12 3HB ALA 12 -5.786 -3.595 3.689 86 H CYS 13 H CYS 13 -5.406 -1.528 0.778 87 HA CYS 13 HA CYS 13 -8.022 -0.782 -0.019 88 HB2 CYS 13 2HB CYS 13 -5.765 -2.090 -1.530 89 HB3 CYS 13 1HB CYS 13 -7.197 -1.357 -2.246 90 H ASN 14 H ASN 14 -9.632 -1.908 -0.922 91 HA ASN 14 HA ASN 14 -10.265 -4.375 0.332 92 HB2 ASN 14 2HB ASN 14 -11.727 -3.196 -2.029 93 HB3 ASN 14 1HB ASN 14 -12.386 -4.139 -0.703 94 HD21 ASN 14 1HD2 ASN 14 -11.302 -1.044 -1.778 95 HD22 ASN 14 2HD2 ASN 14 -11.990 -0.123 -0.472 96 H GLU 15 H GLU 15 -9.245 -3.188 -2.702 97 HA GLU 15 HA GLU 15 -9.783 -5.276 -4.320 98 HB2 GLU 15 2HB GLU 15 -7.481 -3.384 -4.645 99 HB3 GLU 15 1HB GLU 15 -8.317 -4.237 -5.932 100 HG2 GLU 15 2HG GLU 15 -9.065 -2.043 -6.097 101 HG3 GLU 15 1HG GLU 15 -10.369 -2.842 -5.210 102 H THR 16 H THR 16 -8.760 -7.262 -4.446 103 HA THR 16 HA THR 16 -6.823 -8.249 -2.818 104 HB THR 16 HB THR 16 -7.446 -8.998 -5.657 105 HG1 THR 16 1HG THR 16 -8.373 -9.885 -3.136 106 HG21 THR 16 3HG2 THR 16 -5.939 -10.614 -3.564 107 HG22 THR 16 1HG2 THR 16 -5.249 -9.808 -4.986 108 HG23 THR 16 2HG2 THR 16 -6.384 -11.160 -5.185 109 H ASP 17 H ASP 17 -6.348 -6.824 -5.977 110 HA ASP 17 HA ASP 17 -3.695 -7.453 -6.123 111 HB2 ASP 17 2HB ASP 17 -4.949 -6.852 -8.095 112 HB3 ASP 17 1HB ASP 17 -5.226 -5.245 -7.392 113 H ASN 18 H ASN 18 -5.415 -4.489 -5.158 114 HA ASN 18 HA ASN 18 -3.076 -2.964 -4.759 115 HB2 ASN 18 2HB ASN 18 -5.917 -2.377 -3.970 116 HB3 ASN 18 1HB ASN 18 -4.595 -1.322 -3.540 117 HD21 ASN 18 1HD2 ASN 18 -6.896 -0.745 -5.171 118 HD22 ASN 18 2HD2 ASN 18 -6.277 -0.292 -6.722 119 H SER 19 H SER 19 -4.707 -5.118 -2.876 120 HA SER 19 HA SER 19 -3.752 -4.048 -0.390 121 HB2 SER 19 2HB SER 19 -4.478 -6.163 0.694 122 HB3 SER 19 1HB SER 19 -5.737 -5.432 -0.295 123 HG SER 19 HG SER 19 -4.448 -7.099 -1.887 124 H CYS 20 H CYS 20 -2.081 -5.438 -2.834 125 HA CYS 20 HA CYS 20 -0.030 -6.486 -1.023 126 HB2 CYS 20 2HB CYS 20 -0.878 -7.711 -3.241 127 HB3 CYS 20 1HB CYS 20 0.217 -6.552 -4.005 128 H LYS 21 H LYS 21 -0.995 -3.601 -2.058 129 HA LYS 21 HA LYS 21 1.699 -2.388 -2.095 130 HB2 LYS 21 2HB LYS 21 -0.826 -1.652 -3.507 131 HB3 LYS 21 1HB LYS 21 0.574 -0.590 -3.366 132 HG2 LYS 21 2HG LYS 21 0.780 -1.337 -5.555 133 HG3 LYS 21 1HG LYS 21 1.729 -2.543 -4.687 134 HD2 LYS 21 2HD LYS 21 -0.093 -4.123 -4.780 135 HD3 LYS 21 1HD LYS 21 -1.154 -2.904 -5.494 136 HE2 LYS 21 2HE LYS 21 0.348 -2.762 -7.449 137 HE3 LYS 21 1HE LYS 21 1.356 -4.022 -6.750 138 HZ1 LYS 21 3HZ LYS 21 -1.500 -4.356 -7.587 139 HZ2 LYS 21 1HZ LYS 21 -0.555 -5.571 -6.955 140 HZ3 LYS 21 2HZ LYS 21 -0.220 -4.910 -8.440 141 H VAL 22 H VAL 22 1.857 -0.547 -1.507 142 HA VAL 22 HA VAL 22 0.793 -0.409 1.090 143 HB VAL 22 HB VAL 22 2.654 1.346 -0.489 144 HG11 VAL 22 1HG1 VAL 22 3.118 2.444 1.647 145 HG12 VAL 22 2HG1 VAL 22 1.832 1.468 2.409 146 HG13 VAL 22 3HG1 VAL 22 1.443 2.596 1.108 147 HG21 VAL 22 3HG2 VAL 22 3.385 -0.996 0.025 148 HG22 VAL 22 1HG2 VAL 22 3.127 -0.657 1.725 149 HG23 VAL 22 2HG2 VAL 22 4.384 0.231 0.867 150 H CYS 23 H CYS 23 -1.070 0.171 1.118 151 HA CYS 23 HA CYS 23 -2.034 2.457 -0.465 152 HB2 CYS 23 2HB CYS 23 -3.697 0.811 1.434 153 HB3 CYS 23 1HB CYS 23 -4.204 2.039 0.263 154 H CYS 24 H CYS 24 -2.813 4.369 0.364 155 HA CYS 24 HA CYS 24 -2.082 4.906 3.106 156 HB2 CYS 24 2HB CYS 24 -1.763 6.592 0.613 157 HB3 CYS 24 1HB CYS 24 -1.626 7.304 2.204 158 H ARG 25 H ARG 25 -3.381 6.954 3.786 159 HA ARG 25 HA ARG 25 -6.080 6.146 3.058 160 HB2 ARG 25 2HB ARG 25 -5.213 5.397 5.325 161 HB3 ARG 25 1HB ARG 25 -5.056 7.089 5.686 162 HG2 ARG 25 2HG ARG 25 -7.710 6.307 4.804 163 HG3 ARG 25 1HG ARG 25 -7.172 5.585 6.316 164 HD2 ARG 25 2HD ARG 25 -6.637 7.799 7.237 165 HD3 ARG 25 1HD ARG 25 -7.005 8.528 5.673 166 HE ARG 25 HE ARG 25 -9.237 8.249 6.046 167 HH11 ARG 25 1HH1 ARG 25 -7.448 6.919 8.834 168 HH12 ARG 25 2HH1 ARG 25 -8.541 7.320 10.000 169 HH21 ARG 25 1HH2 ARG 25 -10.912 8.804 7.694 170 HH22 ARG 25 2HH2 ARG 25 -10.631 8.406 9.332 171 H ASP 26 H ASP 26 -7.261 7.619 2.205 172 HA ASP 26 HA ASP 26 -6.389 10.273 1.912 173 HB2 ASP 26 2HB ASP 26 -7.367 8.957 0.084 174 HB3 ASP 26 1HB ASP 26 -8.769 8.690 1.122 175 H LEU 27 H LEU 27 -8.240 11.650 2.047 176 HA LEU 27 HA LEU 27 -8.483 12.312 4.741 177 HB2 LEU 27 2HB LEU 27 -9.452 13.536 2.261 178 HB3 LEU 27 1HB LEU 27 -9.689 14.382 3.804 179 HG LEU 27 HG LEU 27 -7.047 14.220 3.845 180 HD11 LEU 27 1HD1 LEU 27 -7.620 13.905 0.912 181 HD12 LEU 27 2HD1 LEU 27 -6.857 12.722 1.950 182 HD13 LEU 27 3HD1 LEU 27 -6.027 14.254 1.607 183 HD21 LEU 27 3HD2 LEU 27 -8.512 16.071 1.973 184 HD22 LEU 27 1HD2 LEU 27 -6.892 16.341 2.618 185 HD23 LEU 27 2HD2 LEU 27 -8.281 16.309 3.705 186 H SER 28 H SER 28 -10.539 11.346 2.156 187 HA SER 28 HA SER 28 -12.953 11.642 3.634 188 HB2 SER 28 2HB SER 28 -12.938 12.374 1.313 189 HB3 SER 28 1HB SER 28 -12.395 10.792 0.777 190 HG SER 28 HG SER 28 -14.518 10.227 2.028 191 H GLY 29 H GLY 29 -10.561 9.577 3.701 192 HA2 GLY 29 2HA GLY 29 -10.315 7.675 4.556 193 HA3 GLY 29 1HA GLY 29 -12.073 7.416 4.702 194 H ARG 30 H ARG 30 -10.478 8.209 1.755 195 HA ARG 30 HA ARG 30 -11.405 5.791 0.463 196 HB2 ARG 30 2HB ARG 30 -9.569 7.916 -0.657 197 HB3 ARG 30 1HB ARG 30 -10.532 6.760 -1.548 198 HG2 ARG 30 2HG ARG 30 -12.548 7.904 -1.013 199 HG3 ARG 30 1HG ARG 30 -11.709 8.934 0.154 200 HD2 ARG 30 2HD ARG 30 -10.310 9.804 -1.708 201 HD3 ARG 30 1HD ARG 30 -11.297 8.879 -2.832 202 HE ARG 30 HE ARG 30 -13.194 10.226 -1.994 203 HH11 ARG 30 1HH1 ARG 30 -9.896 11.572 -1.546 204 HH12 ARG 30 2HH1 ARG 30 -10.320 13.152 -1.848 205 HH21 ARG 30 1HH2 ARG 30 -13.815 12.495 -2.354 206 HH22 ARG 30 2HH2 ARG 30 -12.629 13.718 -2.309 207 H CYS 31 H CYS 31 -10.059 4.085 -0.102 208 HA CYS 31 HA CYS 31 -7.364 4.258 0.852 209 HB2 CYS 31 2HB CYS 31 -9.121 2.000 0.097 210 HB3 CYS 31 1HB CYS 31 -7.392 1.790 -0.191 211 H VAL 32 H VAL 32 -5.775 4.842 -0.285 212 HA VAL 32 HA VAL 32 -6.047 4.574 -3.054 213 HB VAL 32 HB VAL 32 -6.471 6.878 -2.730 214 HG11 VAL 32 1HG1 VAL 32 -5.944 7.403 -0.523 215 HG12 VAL 32 2HG1 VAL 32 -4.746 8.334 -1.426 216 HG13 VAL 32 3HG1 VAL 32 -4.300 6.787 -0.690 217 HG21 VAL 32 3HG2 VAL 32 -4.875 6.492 -4.530 218 HG22 VAL 32 1HG2 VAL 32 -3.536 6.654 -3.396 219 HG23 VAL 32 2HG2 VAL 32 -4.560 8.048 -3.755 220 HA PRO 33 HA PRO 33 -2.157 2.387 -2.368 221 HB2 PRO 33 2HB PRO 33 -1.398 2.430 -5.053 222 HB3 PRO 33 1HB PRO 33 -2.410 1.174 -4.316 223 HG2 PRO 33 2HG PRO 33 -3.219 3.499 -5.953 224 HG3 PRO 33 1HG PRO 33 -3.915 1.869 -5.875 225 HD2 PRO 33 2HD PRO 33 -5.090 3.966 -4.706 226 HD3 PRO 33 1HD PRO 33 -5.165 2.336 -4.001 227 H TYR 34 H TYR 34 -0.276 3.294 -1.728 228 HA TYR 34 HA TYR 34 0.181 5.982 -2.055 229 HB2 TYR 34 2HB TYR 34 1.212 5.438 -0.239 230 HB3 TYR 34 1HB TYR 34 1.515 3.761 -0.702 231 HD1 TYR 34 1HD TYR 34 2.811 7.289 -1.542 232 HD2 TYR 34 2HD TYR 34 3.813 3.153 -0.795 233 HE1 TYR 34 1HE TYR 34 5.041 7.778 -1.796 234 HE2 TYR 34 2HE TYR 34 6.087 3.710 -1.035 235 HH TYR 34 HH TYR 34 7.470 5.371 -2.113 236 H VAL 35 H VAL 35 1.023 7.218 -3.423 237 HA VAL 35 HA VAL 35 3.255 6.432 -4.976 238 HB VAL 35 HB VAL 35 1.647 8.373 -6.253 239 HG11 VAL 35 1HG1 VAL 35 3.506 7.448 -7.187 240 HG12 VAL 35 2HG1 VAL 35 2.138 7.208 -8.274 241 HG13 VAL 35 3HG1 VAL 35 2.776 5.846 -7.323 242 HG21 VAL 35 3HG2 VAL 35 0.347 5.648 -6.275 243 HG22 VAL 35 1HG2 VAL 35 -0.171 7.040 -7.238 244 HG23 VAL 35 2HG2 VAL 35 -0.277 7.073 -5.457 245 H ASP 36 H ASP 36 4.592 8.017 -4.647 246 HA ASP 36 HA ASP 36 3.558 10.584 -3.617 247 HB2 ASP 36 2HB ASP 36 4.950 9.564 -2.020 248 HB3 ASP 36 1HB ASP 36 6.261 9.256 -3.204 249 H ALA 37 H ALA 37 4.621 12.105 -4.003 250 HA ALA 37 HA ALA 37 3.144 12.845 -5.970 251 HB1 ALA 37 1HB ALA 37 5.633 14.343 -5.402 252 HB2 ALA 37 2HB ALA 37 4.278 14.005 -4.327 253 HB3 ALA 37 3HB ALA 37 3.993 14.983 -5.797 254 H GLU 38 H GLU 38 6.560 12.018 -6.753 255 HA GLU 38 HA GLU 38 6.342 12.763 -9.375 256 HB2 GLU 38 2HB GLU 38 8.185 11.245 -7.767 257 HB3 GLU 38 1HB GLU 38 8.647 11.730 -9.426 258 HG2 GLU 38 2HG GLU 38 9.527 13.608 -8.407 259 HG3 GLU 38 1HG GLU 38 7.837 14.027 -8.058 260 H GLN 39 H GLN 39 4.791 10.380 -7.952 261 HA GLN 39 HA GLN 39 3.793 8.672 -8.467 262 HB2 GLN 39 2HB GLN 39 5.233 9.198 -10.857 263 HB3 GLN 39 1HB GLN 39 4.186 7.720 -10.874 264 HG2 GLN 39 2HG GLN 39 2.335 9.289 -10.230 265 HG3 GLN 39 1HG GLN 39 3.484 10.613 -10.369 266 HE21 GLN 39 1HE2 GLN 39 0.971 10.154 -11.790 267 HE22 GLN 39 2HE2 GLN 39 1.378 10.117 -13.478 268 H LYS 40 H LYS 40 6.024 8.639 -6.964 269 HA LYS 40 HA LYS 40 7.684 6.336 -7.364 270 HB2 LYS 40 2HB LYS 40 6.773 7.747 -4.912 271 HB3 LYS 40 1HB LYS 40 7.993 6.450 -5.034 272 HG2 LYS 40 2HG LYS 40 9.548 7.833 -5.827 273 HG3 LYS 40 1HG LYS 40 8.359 8.848 -6.673 274 HD2 LYS 40 2HD LYS 40 7.655 9.885 -4.617 275 HD3 LYS 40 1HD LYS 40 8.660 8.799 -3.662 276 HE2 LYS 40 2HE LYS 40 10.605 9.934 -4.241 277 HE3 LYS 40 1HE LYS 40 9.873 10.642 -5.681 278 HZ1 LYS 40 3HZ LYS 40 8.784 11.411 -3.016 279 HZ2 LYS 40 1HZ LYS 40 8.695 12.121 -4.496 280 HZ3 LYS 40 2HZ LYS 40 10.126 12.259 -3.723 281 H ASN 41 H ASN 41 7.178 4.351 -6.790 282 HA ASN 41 HA ASN 41 4.510 3.889 -5.639 283 HB2 ASN 41 2HB ASN 41 5.048 3.327 -8.093 284 HB3 ASN 41 1HB ASN 41 6.019 2.068 -7.333 285 HD21 ASN 41 1HD2 ASN 41 2.693 3.186 -7.644 286 HD22 ASN 41 2HD2 ASN 41 1.943 1.678 -7.276 287 H LEU 42 H LEU 42 4.464 1.609 -4.801 288 HA LEU 42 HA LEU 42 6.718 0.374 -3.736 289 HB2 LEU 42 2HB LEU 42 7.010 2.229 -2.309 290 HB3 LEU 42 1HB LEU 42 5.274 2.327 -2.053 291 HG LEU 42 HG LEU 42 5.275 0.431 -0.828 292 HD11 LEU 42 1HD1 LEU 42 7.237 -0.818 -1.674 293 HD12 LEU 42 2HD1 LEU 42 7.440 -0.636 0.069 294 HD13 LEU 42 3HD1 LEU 42 8.330 0.414 -1.040 295 HD21 LEU 42 3HD2 LEU 42 5.390 2.273 0.475 296 HD22 LEU 42 1HD2 LEU 42 7.150 2.490 0.281 297 HD23 LEU 42 2HD2 LEU 42 6.492 1.144 1.234 298 H PHE 43 H PHE 43 5.599 -1.491 -4.446 299 HA PHE 43 HA PHE 43 3.254 -2.215 -3.282 300 HB2 PHE 43 2HB PHE 43 3.733 -4.347 -4.471 301 HB3 PHE 43 1HB PHE 43 4.118 -2.859 -5.366 302 HD1 PHE 43 2HD PHE 43 6.257 -2.289 -6.111 303 HD2 PHE 43 1HD PHE 43 5.666 -5.757 -3.720 304 HE1 PHE 43 2HE PHE 43 8.527 -3.045 -6.661 305 HE2 PHE 43 1HE PHE 43 7.935 -6.517 -4.272 306 HZ PHE 43 HZ PHE 43 9.370 -5.165 -5.739 307 H LEU 44 H LEU 44 3.160 -4.109 -1.621 308 HA LEU 44 HA LEU 44 4.701 -3.509 0.452 309 HB2 LEU 44 2HB LEU 44 2.779 -5.729 -0.048 310 HB3 LEU 44 1HB LEU 44 3.654 -5.659 1.462 311 HG LEU 44 HG LEU 44 1.849 -3.447 0.458 312 HD11 LEU 44 1HD1 LEU 44 0.588 -5.501 0.900 313 HD12 LEU 44 2HD1 LEU 44 0.262 -4.272 2.122 314 HD13 LEU 44 3HD1 LEU 44 1.339 -5.620 2.490 315 HD21 LEU 44 3HD2 LEU 44 1.999 -2.661 2.763 316 HD22 LEU 44 1HD2 LEU 44 3.600 -2.728 2.026 317 HD23 LEU 44 2HD2 LEU 44 3.096 -3.984 3.154 318 H ARG 45 H ARG 45 5.645 -5.661 1.757 319 HA ARG 45 HA ARG 45 7.510 -6.983 0.035 320 HB2 ARG 45 2HB ARG 45 7.339 -6.254 2.806 321 HB3 ARG 45 1HB ARG 45 8.075 -7.847 2.529 322 HG2 ARG 45 2HG ARG 45 9.835 -6.170 2.736 323 HG3 ARG 45 1HG ARG 45 9.779 -6.759 1.086 324 HD2 ARG 45 2HD ARG 45 8.482 -4.186 1.984 325 HD3 ARG 45 1HD ARG 45 10.137 -4.277 1.396 326 HE ARG 45 HE ARG 45 7.863 -5.141 -0.269 327 HH11 ARG 45 1HH1 ARG 45 10.762 -3.136 0.136 328 HH12 ARG 45 2HH1 ARG 45 10.677 -2.453 -1.418 329 HH21 ARG 45 1HH2 ARG 45 7.733 -4.224 -2.333 330 HH22 ARG 45 2HH2 ARG 45 8.878 -3.105 -2.905 331 H LYS 46 H LYS 46 7.924 -9.306 0.578 332 HA LYS 46 HA LYS 46 5.535 -10.772 0.249 333 HB2 LYS 46 2HB LYS 46 6.960 -12.823 0.325 334 HB3 LYS 46 1HB LYS 46 7.466 -11.635 -0.860 335 HG2 LYS 46 2HG LYS 46 9.303 -10.951 0.502 336 HG3 LYS 46 1HG LYS 46 8.712 -11.889 1.863 337 HD2 LYS 46 2HD LYS 46 10.646 -12.968 0.765 338 HD3 LYS 46 1HD LYS 46 9.207 -13.971 0.687 339 HE2 LYS 46 2HE LYS 46 9.844 -12.172 -1.619 340 HE3 LYS 46 1HE LYS 46 10.787 -13.640 -1.408 341 HZ1 LYS 46 3HZ LYS 46 8.776 -13.826 -2.897 342 HZ2 LYS 46 1HZ LYS 46 7.790 -13.632 -1.608 343 HZ3 LYS 46 2HZ LYS 46 8.761 -14.962 -1.661 344 H GLY 47 H GLY 47 4.256 -11.747 1.513 345 HA2 GLY 47 2HA GLY 47 3.648 -13.154 3.264 346 HA3 GLY 47 1HA GLY 47 5.183 -12.812 4.075 347 H LYS 48 H LYS 48 3.331 -10.181 2.824 348 HA LYS 48 HA LYS 48 2.546 -9.544 5.518 349 HB2 LYS 48 2HB LYS 48 3.050 -8.079 3.064 350 HB3 LYS 48 1HB LYS 48 1.639 -7.473 3.930 351 HG2 LYS 48 2HG LYS 48 3.277 -6.118 4.845 352 HG3 LYS 48 1HG LYS 48 3.329 -7.450 5.978 353 HD2 LYS 48 2HD LYS 48 5.233 -7.031 3.654 354 HD3 LYS 48 1HD LYS 48 5.568 -6.606 5.322 355 HE2 LYS 48 2HE LYS 48 5.142 -9.381 4.209 356 HE3 LYS 48 1HE LYS 48 6.680 -8.678 4.686 357 HZ1 LYS 48 3HZ LYS 48 5.828 -10.185 6.327 358 HZ2 LYS 48 1HZ LYS 48 4.402 -9.319 6.480 359 HZ3 LYS 48 2HZ LYS 48 5.868 -8.632 6.998 360 HA PRO 49 HA PRO 49 -1.459 -11.269 4.654 361 HB2 PRO 49 2HB PRO 49 -2.459 -9.428 6.740 362 HB3 PRO 49 1HB PRO 49 -2.511 -11.201 6.702 363 HG2 PRO 49 2HG PRO 49 -0.885 -9.949 8.366 364 HG3 PRO 49 1HG PRO 49 -0.396 -11.443 7.543 365 HD2 PRO 49 2HD PRO 49 0.370 -8.630 6.911 366 HD3 PRO 49 1HD PRO 49 1.351 -10.115 6.923 367 H CYS 50 H CYS 50 -2.718 -10.693 3.048 368 HA CYS 50 HA CYS 50 -3.580 -7.961 2.881 369 HB2 CYS 50 2HB CYS 50 -3.451 -8.124 0.432 370 HB3 CYS 50 1HB CYS 50 -1.886 -8.458 1.158 371 H THR 51 H THR 51 -5.377 -8.542 0.714 372 HA THR 51 HA THR 51 -7.716 -9.173 1.983 373 HB THR 51 HB THR 51 -8.496 -9.678 -0.419 374 HG1 THR 51 1HG THR 51 -6.031 -8.534 -1.137 375 HG21 THR 51 3HG2 THR 51 -8.661 -7.484 0.728 376 HG22 THR 51 1HG2 THR 51 -8.321 -7.343 -1.014 377 HG23 THR 51 2HG2 THR 51 -7.010 -7.157 0.144 378 H VAL 52 H VAL 52 -6.277 -11.151 -0.409 379 HA VAL 52 HA VAL 52 -7.885 -13.441 0.359 380 HB VAL 52 HB VAL 52 -7.081 -14.517 -1.681 381 HG11 VAL 52 1HG1 VAL 52 -8.075 -12.871 -3.264 382 HG12 VAL 52 2HG1 VAL 52 -8.032 -11.666 -1.969 383 HG13 VAL 52 3HG1 VAL 52 -9.034 -13.104 -1.802 384 HG21 VAL 52 3HG2 VAL 52 -5.548 -11.969 -2.192 385 HG22 VAL 52 1HG2 VAL 52 -5.610 -13.385 -3.224 386 HG23 VAL 52 2HG2 VAL 52 -4.789 -13.469 -1.653 387 H GLY 53 H GLY 53 -4.827 -12.504 1.370 388 HA2 GLY 53 2HA GLY 53 -4.201 -14.579 2.822 389 HA3 GLY 53 1HA GLY 53 -3.630 -15.105 1.229 390 H PHE 54 H PHE 54 -1.514 -14.728 0.952 391 HA PHE 54 HA PHE 54 -0.442 -12.443 2.383 392 HB2 PHE 54 2HB PHE 54 1.704 -13.476 2.449 393 HB3 PHE 54 1HB PHE 54 0.450 -14.667 2.867 394 HD1 PHE 54 1HD PHE 54 2.736 -13.638 0.111 395 HD2 PHE 54 2HD PHE 54 0.311 -16.719 1.771 396 HE1 PHE 54 1HE PHE 54 3.668 -15.237 -1.506 397 HE2 PHE 54 2HE PHE 54 1.233 -18.319 0.148 398 HZ PHE 54 HZ PHE 54 2.913 -17.580 -1.493 399 H CYS 55 H CYS 55 1.000 -11.194 1.468 400 HA CYS 55 HA CYS 55 0.585 -10.619 -1.360 401 HB2 CYS 55 2HB CYS 55 0.183 -8.834 0.252 402 HB3 CYS 55 1HB CYS 55 1.738 -9.203 1.000 403 H ASP 56 H ASP 56 2.410 -10.842 -2.828 404 HA ASP 56 HA ASP 56 4.947 -11.334 -1.441 405 HB2 ASP 56 2HB ASP 56 3.883 -13.287 -2.833 406 HB3 ASP 56 1HB ASP 56 4.514 -12.391 -4.217 407 H MET 57 H MET 57 6.717 -11.119 -3.497 408 HA MET 57 HA MET 57 6.929 -8.236 -3.613 409 HB2 MET 57 2HB MET 57 8.749 -10.379 -4.716 410 HB3 MET 57 1HB MET 57 9.144 -8.674 -4.622 411 HG2 MET 57 2HG MET 57 8.582 -10.454 -2.258 412 HG3 MET 57 1HG MET 57 10.187 -10.044 -2.845 413 HE1 MET 57 3HE MET 57 11.257 -7.622 -2.670 414 HE2 MET 57 1HE MET 57 10.390 -6.207 -2.078 415 HE3 MET 57 2HE MET 57 9.907 -6.965 -3.592 416 H ASN 58 H ASN 58 5.134 -10.044 -5.315 417 HA ASN 58 HA ASN 58 5.759 -9.078 -8.009 418 HB2 ASN 58 2HB ASN 58 5.158 -11.459 -7.710 419 HB3 ASN 58 1HB ASN 58 3.631 -10.986 -6.991 420 HD21 ASN 58 1HD2 ASN 58 5.031 -9.452 -9.861 421 HD22 ASN 58 2HD2 ASN 58 3.816 -10.030 -10.940 422 H GLY 59 H GLY 59 3.921 -8.264 -5.242 423 HA2 GLY 59 2HA GLY 59 2.274 -6.606 -4.899 424 HA3 GLY 59 1HA GLY 59 2.437 -6.184 -6.621 425 H LYS 60 H LYS 60 1.941 -9.336 -5.462 426 HA LYS 60 HA LYS 60 -0.961 -9.390 -6.041 427 HB2 LYS 60 2HB LYS 60 0.714 -10.246 -7.985 428 HB3 LYS 60 1HB LYS 60 0.875 -11.498 -6.733 429 HG2 LYS 60 2HG LYS 60 -1.492 -12.003 -6.842 430 HG3 LYS 60 1HG LYS 60 -1.726 -10.762 -8.070 431 HD2 LYS 60 2HD LYS 60 -1.622 -12.925 -9.146 432 HD3 LYS 60 1HD LYS 60 -0.171 -12.011 -9.562 433 HE2 LYS 60 2HE LYS 60 0.411 -14.316 -9.042 434 HE3 LYS 60 1HE LYS 60 1.079 -13.246 -7.815 435 HZ1 LYS 60 3HZ LYS 60 -1.269 -15.091 -7.496 436 HZ2 LYS 60 1HZ LYS 60 -0.974 -13.860 -6.429 437 HZ3 LYS 60 2HZ LYS 60 0.102 -15.047 -6.615 438 H CYS 61 H CYS 61 -1.833 -10.878 -5.148 439 HA CYS 61 HA CYS 61 -0.612 -11.854 -2.693 440 HB2 CYS 61 2HB CYS 61 -3.197 -10.987 -3.665 441 HB3 CYS 61 1HB CYS 61 -3.211 -12.053 -2.213 442 H GLU 62 H GLU 62 -1.033 -14.026 -2.171 443 HA GLU 62 HA GLU 62 -0.745 -16.197 -2.667 444 HB2 GLU 62 2HB GLU 62 -3.303 -15.321 -3.662 445 HB3 GLU 62 1HB GLU 62 -3.007 -17.094 -3.587 446 HG2 GLU 62 2HG GLU 62 -3.366 -14.983 -1.444 447 HG3 GLU 62 1HG GLU 62 -4.336 -16.430 -1.689 Start of MODEL 12 1 H PHE 1 1HT PHE 1 5.995 5.034 6.142 2 HA PHE 1 HA PHE 1 5.963 4.023 3.973 3 HB2 PHE 1 2HB PHE 1 3.000 3.561 4.479 4 HB3 PHE 1 1HB PHE 1 3.930 3.105 3.066 5 HD1 PHE 1 1HD PHE 1 3.512 2.466 6.608 6 HD2 PHE 1 2HD PHE 1 4.822 0.935 2.887 7 HE1 PHE 1 1HE PHE 1 3.799 0.209 7.650 8 HE2 PHE 1 2HE PHE 1 5.138 -1.289 3.885 9 HZ PHE 1 HZ PHE 1 4.622 -1.659 6.267 10 H CYS 2 H CYS 2 3.016 5.441 5.210 11 HA CYS 2 HA CYS 2 3.786 7.836 3.742 12 HB2 CYS 2 2HB CYS 2 0.995 6.841 4.180 13 HB3 CYS 2 1HB CYS 2 1.446 8.418 3.518 14 H GLU 3 H GLU 3 3.093 6.519 6.683 15 HA GLU 3 HA GLU 3 1.621 8.388 8.104 16 HB2 GLU 3 2HB GLU 3 3.907 6.831 9.317 17 HB3 GLU 3 1HB GLU 3 2.457 7.398 10.116 18 HG2 GLU 3 2HG GLU 3 2.215 5.084 9.906 19 HG3 GLU 3 1HG GLU 3 1.180 5.782 8.648 20 H ARG 4 H ARG 4 5.111 8.161 8.209 21 HA ARG 4 HA ARG 4 5.122 10.784 9.271 22 HB2 ARG 4 2HB ARG 4 6.742 9.002 10.057 23 HB3 ARG 4 1HB ARG 4 7.518 9.088 8.495 24 HG2 ARG 4 2HG ARG 4 7.371 11.523 10.277 25 HG3 ARG 4 1HG ARG 4 8.583 10.290 10.553 26 HD2 ARG 4 2HD ARG 4 9.651 12.007 9.289 27 HD3 ARG 4 1HD ARG 4 9.356 10.703 8.153 28 HE ARG 4 HE ARG 4 7.240 12.585 8.080 29 HH11 ARG 4 1HH1 ARG 4 10.597 12.281 7.016 30 HH12 ARG 4 2HH1 ARG 4 10.386 13.268 5.636 31 HH21 ARG 4 1HH2 ARG 4 6.932 13.899 6.229 32 HH22 ARG 4 2HH2 ARG 4 8.192 14.207 5.158 33 H GLU 5 H GLU 5 6.203 8.959 6.520 34 HA GLU 5 HA GLU 5 7.609 10.607 5.004 35 HB2 GLU 5 2HB GLU 5 5.618 8.535 4.101 36 HB3 GLU 5 1HB GLU 5 6.962 9.145 3.155 37 HG2 GLU 5 2HG GLU 5 7.703 7.036 3.958 38 HG3 GLU 5 1HG GLU 5 8.438 8.237 5.075 39 H GLN 6 H GLN 6 4.001 10.360 4.893 40 HA GLN 6 HA GLN 6 4.021 12.678 3.060 41 HB2 GLN 6 2HB GLN 6 1.988 10.459 3.170 42 HB3 GLN 6 1HB GLN 6 2.034 11.783 2.026 43 HG2 GLN 6 2HG GLN 6 4.016 9.547 2.235 44 HG3 GLN 6 1HG GLN 6 2.675 9.666 1.079 45 HE21 GLN 6 1HE2 GLN 6 2.878 11.129 -0.648 46 HE22 GLN 6 2HE2 GLN 6 4.403 11.832 -1.066 47 H GLN 7 H GLN 7 3.328 11.509 6.135 48 HA GLN 7 HA GLN 7 2.180 11.892 7.673 49 HB2 GLN 7 2HB GLN 7 1.516 14.550 6.402 50 HB3 GLN 7 1HB GLN 7 1.180 14.156 8.079 51 HG2 GLN 7 2HG GLN 7 3.260 15.102 8.454 52 HG3 GLN 7 1HG GLN 7 3.677 13.440 7.972 53 HE21 GLN 7 1HE2 GLN 7 2.591 15.524 5.473 54 HE22 GLN 7 2HE2 GLN 7 4.130 15.740 4.728 55 H LEU 8 H LEU 8 1.092 10.428 5.714 56 HA LEU 8 HA LEU 8 -1.872 10.755 5.820 57 HB2 LEU 8 2HB LEU 8 -0.206 8.813 4.243 58 HB3 LEU 8 1HB LEU 8 -1.927 9.007 4.176 59 HG LEU 8 HG LEU 8 -0.042 11.129 3.459 60 HD11 LEU 8 1HD1 LEU 8 -0.750 10.457 1.019 61 HD12 LEU 8 2HD1 LEU 8 -1.210 8.898 1.750 62 HD13 LEU 8 3HD1 LEU 8 0.452 9.477 1.829 63 HD21 LEU 8 3HD2 LEU 8 -1.979 12.074 2.210 64 HD22 LEU 8 1HD2 LEU 8 -2.235 11.960 3.951 65 HD23 LEU 8 2HD2 LEU 8 -2.973 10.776 2.872 66 H GLU 9 H GLU 9 -2.718 8.615 5.782 67 HA GLU 9 HA GLU 9 -1.711 7.094 8.127 68 HB2 GLU 9 2HB GLU 9 -4.143 8.065 8.041 69 HB3 GLU 9 1HB GLU 9 -4.351 6.814 6.810 70 HG2 GLU 9 2HG GLU 9 -3.793 5.102 8.463 71 HG3 GLU 9 1HG GLU 9 -3.734 6.357 9.704 72 H SER 10 H SER 10 -1.607 4.759 7.763 73 HA SER 10 HA SER 10 -1.186 4.003 5.054 74 HB2 SER 10 2HB SER 10 -0.323 2.087 6.126 75 HB3 SER 10 1HB SER 10 0.187 3.665 6.900 76 HG SER 10 HG SER 10 -2.049 2.577 8.009 77 H CYS 11 H CYS 11 -2.338 2.129 4.179 78 HA CYS 11 HA CYS 11 -4.474 1.025 5.724 79 HB2 CYS 11 2HB CYS 11 -6.355 1.931 4.617 80 HB3 CYS 11 1HB CYS 11 -5.256 3.302 4.557 81 H ALA 12 H ALA 12 -5.810 -0.478 3.981 82 HA ALA 12 HA ALA 12 -3.815 -1.627 2.188 83 HB1 ALA 12 1HB ALA 12 -5.702 -3.108 4.025 84 HB2 ALA 12 2HB ALA 12 -3.945 -3.033 4.184 85 HB3 ALA 12 3HB ALA 12 -4.675 -3.862 2.806 86 H CYS 13 H CYS 13 -4.595 -1.731 0.145 87 HA CYS 13 HA CYS 13 -7.181 -0.894 -0.442 88 HB2 CYS 13 2HB CYS 13 -5.075 -2.266 -2.124 89 HB3 CYS 13 1HB CYS 13 -6.532 -1.530 -2.750 90 H ASN 14 H ASN 14 -8.995 -1.883 -0.826 91 HA ASN 14 HA ASN 14 -9.574 -4.405 0.247 92 HB2 ASN 14 2HB ASN 14 -11.105 -2.380 -0.125 93 HB3 ASN 14 1HB ASN 14 -11.208 -2.906 -1.792 94 HD21 ASN 14 1HD2 ASN 14 -11.405 -5.818 -1.037 95 HD22 ASN 14 2HD2 ASN 14 -12.997 -5.969 -0.372 96 H GLU 15 H GLU 15 -8.505 -3.435 -2.876 97 HA GLU 15 HA GLU 15 -9.446 -5.661 -4.182 98 HB2 GLU 15 2HB GLU 15 -9.107 -3.372 -5.205 99 HB3 GLU 15 1HB GLU 15 -7.380 -3.663 -5.089 100 HG2 GLU 15 2HG GLU 15 -9.217 -5.384 -6.727 101 HG3 GLU 15 1HG GLU 15 -8.378 -3.969 -7.363 102 H THR 16 H THR 16 -8.074 -7.457 -4.861 103 HA THR 16 HA THR 16 -6.315 -8.455 -2.938 104 HB THR 16 HB THR 16 -6.852 -9.352 -5.761 105 HG1 THR 16 1HG THR 16 -8.631 -9.968 -4.853 106 HG21 THR 16 3HG2 THR 16 -5.630 -10.996 -3.507 107 HG22 THR 16 1HG2 THR 16 -4.685 -10.155 -4.774 108 HG23 THR 16 2HG2 THR 16 -5.828 -11.436 -5.204 109 H ASP 17 H ASP 17 -5.601 -7.221 -6.205 110 HA ASP 17 HA ASP 17 -2.931 -7.984 -5.987 111 HB2 ASP 17 2HB ASP 17 -3.987 -7.670 -8.171 112 HB3 ASP 17 1HB ASP 17 -4.254 -5.974 -7.732 113 H ASN 18 H ASN 18 -4.756 -4.994 -5.535 114 HA ASN 18 HA ASN 18 -2.523 -3.348 -5.102 115 HB2 ASN 18 2HB ASN 18 -5.456 -2.951 -4.793 116 HB3 ASN 18 1HB ASN 18 -4.331 -1.743 -4.202 117 HD21 ASN 18 1HD2 ASN 18 -5.417 -3.473 -7.101 118 HD22 ASN 18 2HD2 ASN 18 -4.835 -2.292 -8.211 119 H SER 19 H SER 19 -4.026 -5.501 -3.155 120 HA SER 19 HA SER 19 -3.410 -4.082 -0.706 121 HB2 SER 19 2HB SER 19 -4.045 -6.148 0.549 122 HB3 SER 19 1HB SER 19 -5.269 -5.691 -0.637 123 HG SER 19 HG SER 19 -4.188 -7.325 -2.035 124 H CYS 20 H CYS 20 -1.504 -5.272 -2.880 125 HA CYS 20 HA CYS 20 0.625 -6.147 -1.088 126 HB2 CYS 20 2HB CYS 20 0.218 -6.396 -4.043 127 HB3 CYS 20 1HB CYS 20 1.734 -6.809 -3.249 128 H LYS 21 H LYS 21 -0.460 -3.297 -2.237 129 HA LYS 21 HA LYS 21 2.234 -2.070 -2.288 130 HB2 LYS 21 2HB LYS 21 -0.252 -1.441 -3.815 131 HB3 LYS 21 1HB LYS 21 1.176 -0.396 -3.784 132 HG2 LYS 21 2HG LYS 21 1.319 -1.448 -5.886 133 HG3 LYS 21 1HG LYS 21 2.337 -2.469 -4.866 134 HD2 LYS 21 2HD LYS 21 0.386 -3.998 -4.559 135 HD3 LYS 21 1HD LYS 21 -0.509 -3.012 -5.715 136 HE2 LYS 21 2HE LYS 21 1.161 -3.509 -7.434 137 HE3 LYS 21 1HE LYS 21 2.064 -4.486 -6.278 138 HZ1 LYS 21 3HZ LYS 21 -0.127 -5.856 -6.111 139 HZ2 LYS 21 1HZ LYS 21 0.697 -5.994 -7.581 140 HZ3 LYS 21 2HZ LYS 21 -0.610 -5.016 -7.436 141 H VAL 22 H VAL 22 2.314 -0.134 -1.827 142 HA VAL 22 HA VAL 22 1.288 0.061 0.770 143 HB VAL 22 HB VAL 22 3.008 1.889 -0.884 144 HG11 VAL 22 1HG1 VAL 22 3.471 3.030 1.245 145 HG12 VAL 22 2HG1 VAL 22 2.129 2.103 1.984 146 HG13 VAL 22 3HG1 VAL 22 1.827 3.204 0.644 147 HG21 VAL 22 3HG2 VAL 22 3.715 0.121 1.467 148 HG22 VAL 22 1HG2 VAL 22 4.822 0.868 0.339 149 HG23 VAL 22 2HG2 VAL 22 3.783 -0.500 -0.172 150 H CYS 23 H CYS 23 -0.585 0.432 0.842 151 HA CYS 23 HA CYS 23 -1.780 2.668 -0.639 152 HB2 CYS 23 2HB CYS 23 -3.291 0.809 1.166 153 HB3 CYS 23 1HB CYS 23 -3.865 1.959 -0.057 154 H CYS 24 H CYS 24 -2.810 4.343 0.447 155 HA CYS 24 HA CYS 24 -2.219 4.542 3.239 156 HB2 CYS 24 2HB CYS 24 -1.382 6.555 1.107 157 HB3 CYS 24 1HB CYS 24 -1.215 6.804 2.835 158 H ARG 25 H ARG 25 -3.392 6.847 3.842 159 HA ARG 25 HA ARG 25 -5.991 6.403 2.617 160 HB2 ARG 25 2HB ARG 25 -5.197 6.155 5.190 161 HB3 ARG 25 1HB ARG 25 -5.840 7.799 5.160 162 HG2 ARG 25 2HG ARG 25 -7.857 6.682 3.977 163 HG3 ARG 25 1HG ARG 25 -7.170 5.194 4.662 164 HD2 ARG 25 2HD ARG 25 -7.142 6.306 6.873 165 HD3 ARG 25 1HD ARG 25 -7.898 7.676 6.023 166 HE ARG 25 HE ARG 25 -9.704 5.978 5.468 167 HH11 ARG 25 1HH1 ARG 25 -7.875 5.730 8.490 168 HH12 ARG 25 2HH1 ARG 25 -9.171 5.400 9.485 169 HH21 ARG 25 1HH2 ARG 25 -11.567 5.457 6.772 170 HH22 ARG 25 2HH2 ARG 25 -11.399 5.196 8.461 171 H ASP 26 H ASP 26 -7.231 8.235 2.379 172 HA ASP 26 HA ASP 26 -5.614 10.579 1.800 173 HB2 ASP 26 2HB ASP 26 -6.766 10.844 -0.179 174 HB3 ASP 26 1HB ASP 26 -6.915 9.099 0.028 175 H LEU 27 H LEU 27 -7.316 12.322 1.544 176 HA LEU 27 HA LEU 27 -7.881 13.216 4.070 177 HB2 LEU 27 2HB LEU 27 -9.109 14.389 1.600 178 HB3 LEU 27 1HB LEU 27 -8.762 15.221 3.102 179 HG LEU 27 HG LEU 27 -6.284 14.437 2.403 180 HD11 LEU 27 1HD1 LEU 27 -5.926 14.749 0.022 181 HD12 LEU 27 2HD1 LEU 27 -7.661 14.924 -0.218 182 HD13 LEU 27 3HD1 LEU 27 -7.011 13.385 0.319 183 HD21 LEU 27 3HD2 LEU 27 -6.932 16.711 3.001 184 HD22 LEU 27 1HD2 LEU 27 -7.697 16.921 1.426 185 HD23 LEU 27 2HD2 LEU 27 -5.949 16.719 1.537 186 H SER 28 H SER 28 -9.904 11.669 1.676 187 HA SER 28 HA SER 28 -12.288 12.238 3.107 188 HB2 SER 28 2HB SER 28 -12.368 12.373 0.673 189 HB3 SER 28 1HB SER 28 -11.796 10.716 0.536 190 HG SER 28 HG SER 28 -13.852 10.470 1.995 191 H GLY 29 H GLY 29 -9.828 10.246 3.497 192 HA2 GLY 29 2HA GLY 29 -9.459 8.620 4.761 193 HA3 GLY 29 1HA GLY 29 -11.158 8.555 5.257 194 H ARG 30 H ARG 30 -10.058 8.158 1.918 195 HA ARG 30 HA ARG 30 -11.098 5.430 1.920 196 HB2 ARG 30 2HB ARG 30 -10.267 7.269 -0.312 197 HB3 ARG 30 1HB ARG 30 -11.103 5.733 -0.481 198 HG2 ARG 30 2HG ARG 30 -13.091 6.581 0.368 199 HG3 ARG 30 1HG ARG 30 -12.287 7.978 1.096 200 HD2 ARG 30 2HD ARG 30 -12.521 7.447 -1.850 201 HD3 ARG 30 1HD ARG 30 -13.537 8.563 -0.916 202 HE ARG 30 HE ARG 30 -10.855 9.214 -0.476 203 HH11 ARG 30 1HH1 ARG 30 -13.132 9.269 -3.167 204 HH12 ARG 30 2HH1 ARG 30 -12.505 10.686 -3.886 205 HH21 ARG 30 1HH2 ARG 30 -10.027 11.152 -1.367 206 HH22 ARG 30 2HH2 ARG 30 -10.625 11.814 -2.821 207 H CYS 31 H CYS 31 -9.817 3.977 0.396 208 HA CYS 31 HA CYS 31 -7.025 4.147 1.088 209 HB2 CYS 31 2HB CYS 31 -8.790 1.944 0.181 210 HB3 CYS 31 1HB CYS 31 -7.069 1.844 -0.193 211 H VAL 32 H VAL 32 -5.529 4.779 -0.175 212 HA VAL 32 HA VAL 32 -6.005 4.660 -2.927 213 HB VAL 32 HB VAL 32 -6.458 6.952 -2.422 214 HG11 VAL 32 1HG1 VAL 32 -4.751 8.409 -1.254 215 HG12 VAL 32 2HG1 VAL 32 -3.976 6.894 -0.720 216 HG13 VAL 32 3HG1 VAL 32 -5.628 7.269 -0.251 217 HG21 VAL 32 3HG2 VAL 32 -5.090 6.644 -4.419 218 HG22 VAL 32 1HG2 VAL 32 -3.625 6.784 -3.449 219 HG23 VAL 32 2HG2 VAL 32 -4.696 8.176 -3.631 220 HA PRO 33 HA PRO 33 -1.965 2.598 -2.579 221 HB2 PRO 33 2HB PRO 33 -1.886 3.169 -5.497 222 HB3 PRO 33 1HB PRO 33 -1.732 1.606 -4.671 223 HG2 PRO 33 2HG PRO 33 -3.921 2.192 -6.028 224 HG3 PRO 33 1HG PRO 33 -3.990 1.286 -4.503 225 HD2 PRO 33 2HD PRO 33 -4.668 4.146 -5.010 226 HD3 PRO 33 1HD PRO 33 -5.439 2.960 -3.936 227 H TYR 34 H TYR 34 -0.110 3.693 -2.029 228 HA TYR 34 HA TYR 34 -0.095 6.432 -2.582 229 HB2 TYR 34 2HB TYR 34 0.821 6.292 -0.653 230 HB3 TYR 34 1HB TYR 34 1.615 4.720 -0.876 231 HD1 TYR 34 1HD TYR 34 1.904 8.367 -2.086 232 HD2 TYR 34 2HD TYR 34 3.944 4.809 -0.876 233 HE1 TYR 34 1HE TYR 34 3.968 9.470 -2.360 234 HE2 TYR 34 2HE TYR 34 6.088 5.993 -1.152 235 HH TYR 34 HH TYR 34 6.188 9.412 -1.866 236 H VAL 35 H VAL 35 0.454 7.560 -4.100 237 HA VAL 35 HA VAL 35 2.963 7.219 -5.319 238 HB VAL 35 HB VAL 35 1.162 8.425 -7.037 239 HG11 VAL 35 1HG1 VAL 35 2.806 5.991 -7.511 240 HG12 VAL 35 2HG1 VAL 35 3.278 7.688 -7.516 241 HG13 VAL 35 3HG1 VAL 35 2.160 7.109 -8.748 242 HG21 VAL 35 3HG2 VAL 35 -0.250 6.586 -7.898 243 HG22 VAL 35 1HG2 VAL 35 -0.592 6.956 -6.204 244 HG23 VAL 35 2HG2 VAL 35 0.371 5.533 -6.616 245 H ASP 36 H ASP 36 3.738 9.249 -5.218 246 HA ASP 36 HA ASP 36 1.789 11.466 -5.140 247 HB2 ASP 36 2HB ASP 36 3.047 12.650 -3.627 248 HB3 ASP 36 1HB ASP 36 3.219 11.005 -3.031 249 H ALA 37 H ALA 37 3.707 13.193 -5.556 250 HA ALA 37 HA ALA 37 2.045 13.555 -7.638 251 HB1 ALA 37 1HB ALA 37 2.829 14.865 -6.065 252 HB2 ALA 37 2HB ALA 37 2.886 15.693 -7.683 253 HB3 ALA 37 3HB ALA 37 4.395 15.094 -6.855 254 H GLU 38 H GLU 38 5.518 12.497 -7.861 255 HA GLU 38 HA GLU 38 5.226 12.846 -10.591 256 HB2 GLU 38 2HB GLU 38 7.507 13.116 -10.633 257 HB3 GLU 38 1HB GLU 38 6.683 13.621 -9.101 258 HG2 GLU 38 2HG GLU 38 7.686 11.023 -8.913 259 HG3 GLU 38 1HG GLU 38 9.040 12.198 -9.036 260 H GLN 39 H GLN 39 4.233 10.683 -8.702 261 HA GLN 39 HA GLN 39 3.603 8.810 -8.811 262 HB2 GLN 39 2HB GLN 39 5.016 8.965 -11.235 263 HB3 GLN 39 1HB GLN 39 4.302 7.347 -10.865 264 HG2 GLN 39 2HG GLN 39 2.135 8.565 -10.627 265 HG3 GLN 39 1HG GLN 39 2.978 10.053 -11.047 266 HE21 GLN 39 1HE2 GLN 39 3.611 10.353 -13.184 267 HE22 GLN 39 2HE2 GLN 39 2.969 9.400 -14.487 268 H LYS 40 H LYS 40 5.821 9.304 -7.087 269 HA LYS 40 HA LYS 40 7.536 7.020 -7.097 270 HB2 LYS 40 2HB LYS 40 6.439 8.634 -4.876 271 HB3 LYS 40 1HB LYS 40 7.687 7.370 -4.719 272 HG2 LYS 40 2HG LYS 40 9.080 8.748 -6.125 273 HG3 LYS 40 1HG LYS 40 7.842 10.038 -6.078 274 HD2 LYS 40 2HD LYS 40 8.056 9.495 -3.442 275 HD3 LYS 40 1HD LYS 40 9.699 9.101 -3.934 276 HE2 LYS 40 2HE LYS 40 9.597 11.393 -3.195 277 HE3 LYS 40 1HE LYS 40 9.885 11.351 -4.935 278 HZ1 LYS 40 3HZ LYS 40 8.134 12.999 -4.313 279 HZ2 LYS 40 1HZ LYS 40 7.148 11.744 -3.774 280 HZ3 LYS 40 2HZ LYS 40 7.614 11.860 -5.353 281 H ASN 41 H ASN 41 7.090 5.089 -6.246 282 HA ASN 41 HA ASN 41 4.495 4.744 -4.983 283 HB2 ASN 41 2HB ASN 41 4.620 4.188 -7.457 284 HB3 ASN 41 1HB ASN 41 5.802 3.000 -6.891 285 HD21 ASN 41 1HD2 ASN 41 2.390 3.868 -6.572 286 HD22 ASN 41 2HD2 ASN 41 1.823 2.278 -6.219 287 H LEU 42 H LEU 42 4.561 2.393 -4.181 288 HA LEU 42 HA LEU 42 7.150 1.455 -3.254 289 HB2 LEU 42 2HB LEU 42 4.959 2.192 -1.344 290 HB3 LEU 42 1HB LEU 42 6.393 1.285 -0.939 291 HG LEU 42 HG LEU 42 6.341 4.155 -1.809 292 HD11 LEU 42 1HD1 LEU 42 6.596 4.664 0.538 293 HD12 LEU 42 2HD1 LEU 42 6.756 2.944 0.924 294 HD13 LEU 42 3HD1 LEU 42 5.208 3.567 0.358 295 HD21 LEU 42 3HD2 LEU 42 8.541 2.440 -0.629 296 HD22 LEU 42 1HD2 LEU 42 8.654 4.169 -0.964 297 HD23 LEU 42 2HD2 LEU 42 8.469 3.026 -2.293 298 H PHE 43 H PHE 43 7.056 -0.689 -3.525 299 HA PHE 43 HA PHE 43 4.600 -1.981 -3.476 300 HB2 PHE 43 2HB PHE 43 6.257 -2.478 -5.173 301 HB3 PHE 43 1HB PHE 43 7.429 -2.878 -3.929 302 HD1 PHE 43 1HD PHE 43 4.103 -3.876 -5.224 303 HD2 PHE 43 2HD PHE 43 7.661 -5.104 -3.264 304 HE1 PHE 43 1HE PHE 43 3.335 -6.192 -5.302 305 HE2 PHE 43 2HE PHE 43 6.904 -7.434 -3.326 306 HZ PHE 43 HZ PHE 43 4.732 -7.990 -4.350 307 H LEU 44 H LEU 44 4.025 -3.412 -1.695 308 HA LEU 44 HA LEU 44 5.136 -2.929 0.668 309 HB2 LEU 44 2HB LEU 44 3.114 -4.878 -0.271 310 HB3 LEU 44 1HB LEU 44 3.705 -5.010 1.370 311 HG LEU 44 HG LEU 44 2.392 -2.543 0.216 312 HD11 LEU 44 1HD1 LEU 44 0.809 -4.347 0.355 313 HD12 LEU 44 2HD1 LEU 44 0.520 -3.239 1.706 314 HD13 LEU 44 3HD1 LEU 44 1.395 -4.757 1.958 315 HD21 LEU 44 3HD2 LEU 44 2.261 -1.855 2.558 316 HD22 LEU 44 1HD2 LEU 44 3.937 -2.060 2.056 317 HD23 LEU 44 2HD2 LEU 44 3.154 -3.297 3.035 318 H ARG 45 H ARG 45 5.447 -5.253 2.092 319 HA ARG 45 HA ARG 45 7.598 -6.626 0.822 320 HB2 ARG 45 2HB ARG 45 6.499 -6.425 3.510 321 HB3 ARG 45 1HB ARG 45 7.891 -7.526 3.198 322 HG2 ARG 45 2HG ARG 45 7.705 -4.492 3.038 323 HG3 ARG 45 1HG ARG 45 8.702 -5.430 4.149 324 HD2 ARG 45 2HD ARG 45 10.191 -6.073 2.423 325 HD3 ARG 45 1HD ARG 45 9.096 -5.555 1.150 326 HE ARG 45 HE ARG 45 10.736 -3.865 2.850 327 HH11 ARG 45 1HH1 ARG 45 8.450 -4.193 0.122 328 HH12 ARG 45 2HH1 ARG 45 8.643 -2.652 -0.466 329 HH21 ARG 45 1HH2 ARG 45 11.106 -1.653 1.957 330 HH22 ARG 45 2HH2 ARG 45 10.251 -1.168 0.571 331 H LYS 46 H LYS 46 7.664 -9.072 1.338 332 HA LYS 46 HA LYS 46 5.123 -10.102 0.397 333 HB2 LYS 46 2HB LYS 46 6.310 -12.189 -0.130 334 HB3 LYS 46 1HB LYS 46 7.027 -10.785 -0.905 335 HG2 LYS 46 2HG LYS 46 8.914 -10.847 0.523 336 HG3 LYS 46 1HG LYS 46 8.122 -11.964 1.641 337 HD2 LYS 46 2HD LYS 46 9.754 -13.158 0.272 338 HD3 LYS 46 1HD LYS 46 8.122 -13.701 -0.100 339 HE2 LYS 46 2HE LYS 46 8.213 -11.996 -2.032 340 HE3 LYS 46 1HE LYS 46 9.953 -11.967 -1.740 341 HZ1 LYS 46 3HZ LYS 46 8.301 -14.325 -2.330 342 HZ2 LYS 46 1HZ LYS 46 9.983 -14.412 -2.165 343 HZ3 LYS 46 2HZ LYS 46 9.211 -13.590 -3.471 344 H GLY 47 H GLY 47 4.262 -12.088 1.179 345 HA2 GLY 47 2HA GLY 47 3.431 -13.453 2.803 346 HA3 GLY 47 1HA GLY 47 4.844 -13.067 3.815 347 H LYS 48 H LYS 48 3.254 -10.402 2.561 348 HA LYS 48 HA LYS 48 2.340 -9.618 5.184 349 HB2 LYS 48 2HB LYS 48 3.478 -8.260 3.306 350 HB3 LYS 48 1HB LYS 48 1.895 -8.173 2.595 351 HG2 LYS 48 2HG LYS 48 2.607 -7.110 5.353 352 HG3 LYS 48 1HG LYS 48 2.446 -6.128 3.911 353 HD2 LYS 48 2HD LYS 48 0.156 -7.774 4.994 354 HD3 LYS 48 1HD LYS 48 0.497 -6.163 5.601 355 HE2 LYS 48 2HE LYS 48 -1.265 -6.061 3.956 356 HE3 LYS 48 1HE LYS 48 0.151 -5.262 3.309 357 HZ1 LYS 48 3HZ LYS 48 -0.927 -6.627 1.636 358 HZ2 LYS 48 1HZ LYS 48 -0.825 -7.994 2.629 359 HZ3 LYS 48 2HZ LYS 48 0.573 -7.302 1.973 360 HA PRO 49 HA PRO 49 -1.695 -11.641 4.514 361 HB2 PRO 49 2HB PRO 49 -2.317 -9.588 6.611 362 HB3 PRO 49 1HB PRO 49 -2.774 -11.305 6.564 363 HG2 PRO 49 2HG PRO 49 -0.828 -10.555 8.134 364 HG3 PRO 49 1HG PRO 49 -0.678 -12.041 7.173 365 HD2 PRO 49 2HD PRO 49 0.638 -9.407 6.760 366 HD3 PRO 49 1HD PRO 49 1.244 -11.045 6.440 367 H CYS 50 H CYS 50 -2.942 -11.085 2.867 368 HA CYS 50 HA CYS 50 -3.704 -8.348 2.557 369 HB2 CYS 50 2HB CYS 50 -3.715 -9.204 0.052 370 HB3 CYS 50 1HB CYS 50 -2.264 -8.586 0.857 371 H THR 51 H THR 51 -5.444 -9.015 0.324 372 HA THR 51 HA THR 51 -7.846 -9.222 1.581 373 HB THR 51 HB THR 51 -8.659 -9.770 -0.761 374 HG1 THR 51 1HG THR 51 -7.213 -10.052 -2.312 375 HG21 THR 51 3HG2 THR 51 -7.926 -7.628 -1.644 376 HG22 THR 51 1HG2 THR 51 -6.614 -7.626 -0.471 377 HG23 THR 51 2HG2 THR 51 -8.292 -7.470 0.093 378 H VAL 52 H VAL 52 -6.287 -11.599 -0.316 379 HA VAL 52 HA VAL 52 -8.192 -13.562 0.606 380 HB VAL 52 HB VAL 52 -7.466 -14.957 -1.336 381 HG11 VAL 52 1HG1 VAL 52 -8.447 -12.130 -1.805 382 HG12 VAL 52 2HG1 VAL 52 -9.440 -13.551 -1.476 383 HG13 VAL 52 3HG1 VAL 52 -8.562 -13.421 -3.002 384 HG21 VAL 52 3HG2 VAL 52 -6.108 -14.027 -3.062 385 HG22 VAL 52 1HG2 VAL 52 -5.189 -13.880 -1.582 386 HG23 VAL 52 2HG2 VAL 52 -5.988 -12.460 -2.299 387 H GLY 53 H GLY 53 -4.744 -13.168 0.671 388 HA2 GLY 53 2HA GLY 53 -4.580 -15.003 2.818 389 HA3 GLY 53 1HA GLY 53 -3.929 -15.636 1.299 390 H PHE 54 H PHE 54 -1.880 -15.259 0.874 391 HA PHE 54 HA PHE 54 -0.580 -13.047 2.296 392 HB2 PHE 54 2HB PHE 54 0.622 -15.723 1.598 393 HB3 PHE 54 1HB PHE 54 1.539 -14.354 2.264 394 HD1 PHE 54 1HD PHE 54 1.013 -13.558 4.562 395 HD2 PHE 54 2HD PHE 54 -0.626 -17.156 2.994 396 HE1 PHE 54 1HE PHE 54 0.455 -14.289 6.842 397 HE2 PHE 54 2HE PHE 54 -1.189 -17.897 5.271 398 HZ PHE 54 HZ PHE 54 -0.651 -16.462 7.198 399 H CYS 55 H CYS 55 1.106 -12.063 1.222 400 HA CYS 55 HA CYS 55 0.588 -11.985 -1.670 401 HB2 CYS 55 2HB CYS 55 -0.008 -9.983 -0.496 402 HB3 CYS 55 1HB CYS 55 1.578 -9.941 0.271 403 H ASP 56 H ASP 56 2.293 -12.146 -3.073 404 HA ASP 56 HA ASP 56 4.863 -12.157 -1.713 405 HB2 ASP 56 2HB ASP 56 4.175 -14.442 -2.648 406 HB3 ASP 56 1HB ASP 56 4.384 -13.762 -4.257 407 H MET 57 H MET 57 6.611 -12.054 -4.065 408 HA MET 57 HA MET 57 6.804 -9.330 -4.220 409 HB2 MET 57 2HB MET 57 8.600 -10.904 -4.000 410 HB3 MET 57 1HB MET 57 8.176 -11.644 -5.532 411 HG2 MET 57 2HG MET 57 8.639 -9.680 -6.643 412 HG3 MET 57 1HG MET 57 9.021 -8.867 -5.101 413 HE1 MET 57 3HE MET 57 12.607 -9.265 -6.808 414 HE2 MET 57 1HE MET 57 11.465 -8.126 -6.093 415 HE3 MET 57 2HE MET 57 11.080 -8.920 -7.619 416 H ASN 58 H ASN 58 5.048 -11.535 -6.180 417 HA ASN 58 HA ASN 58 5.311 -9.982 -8.622 418 HB2 ASN 58 2HB ASN 58 4.857 -12.477 -8.629 419 HB3 ASN 58 1HB ASN 58 3.247 -12.132 -8.016 420 HD21 ASN 58 1HD2 ASN 58 5.360 -11.963 -10.773 421 HD22 ASN 58 2HD2 ASN 58 4.132 -11.627 -11.938 422 H GLY 59 H GLY 59 3.678 -9.616 -5.758 423 HA2 GLY 59 2HA GLY 59 2.300 -7.901 -5.111 424 HA3 GLY 59 1HA GLY 59 2.075 -7.463 -6.807 425 H LYS 60 H LYS 60 1.687 -10.677 -5.818 426 HA LYS 60 HA LYS 60 -1.244 -10.468 -6.033 427 HB2 LYS 60 2HB LYS 60 0.683 -12.484 -7.116 428 HB3 LYS 60 1HB LYS 60 -0.909 -13.015 -6.615 429 HG2 LYS 60 2HG LYS 60 -0.736 -12.555 -9.062 430 HG3 LYS 60 1HG LYS 60 -1.975 -11.599 -8.252 431 HD2 LYS 60 2HD LYS 60 -0.442 -9.704 -8.164 432 HD3 LYS 60 1HD LYS 60 0.796 -10.668 -8.957 433 HE2 LYS 60 2HE LYS 60 -0.514 -10.803 -10.955 434 HE3 LYS 60 1HE LYS 60 -1.886 -10.025 -10.158 435 HZ1 LYS 60 3HZ LYS 60 0.757 -8.745 -10.483 436 HZ2 LYS 60 1HZ LYS 60 -0.671 -8.084 -9.872 437 HZ3 LYS 60 2HZ LYS 60 -0.584 -8.456 -11.520 438 H CYS 61 H CYS 61 -2.359 -12.108 -4.956 439 HA CYS 61 HA CYS 61 -1.086 -12.746 -2.447 440 HB2 CYS 61 2HB CYS 61 -2.320 -10.643 -2.381 441 HB3 CYS 61 1HB CYS 61 -3.713 -11.520 -3.014 442 H GLU 62 H GLU 62 -1.665 -14.714 -1.851 443 HA GLU 62 HA GLU 62 -3.882 -16.038 -3.030 444 HB2 GLU 62 2HB GLU 62 -2.466 -17.961 -3.621 445 HB3 GLU 62 1HB GLU 62 -1.941 -16.407 -4.296 446 HG2 GLU 62 2HG GLU 62 -0.126 -16.242 -2.739 447 HG3 GLU 62 1HG GLU 62 -0.599 -17.764 -1.983 Start of MODEL 13 1 H PHE 1 1HT PHE 1 6.163 5.288 4.045 2 HA PHE 1 HA PHE 1 5.299 3.874 1.557 3 HB2 PHE 1 2HB PHE 1 4.175 3.593 4.349 4 HB3 PHE 1 1HB PHE 1 3.656 2.711 2.927 5 HD1 PHE 1 2HD PHE 1 5.053 0.920 2.007 6 HD2 PHE 1 1HD PHE 1 6.003 3.078 5.493 7 HE1 PHE 1 2HE PHE 1 6.665 -0.852 2.606 8 HE2 PHE 1 1HE PHE 1 7.664 1.299 6.163 9 HZ PHE 1 HZ PHE 1 7.975 -0.662 4.692 10 H CYS 2 H CYS 2 3.927 5.486 4.371 11 HA CYS 2 HA CYS 2 2.683 7.319 2.468 12 HB2 CYS 2 2HB CYS 2 1.251 5.999 4.771 13 HB3 CYS 2 1HB CYS 2 0.574 7.313 3.821 14 H GLU 3 H GLU 3 3.844 6.746 5.634 15 HA GLU 3 HA GLU 3 3.203 9.021 6.987 16 HB2 GLU 3 2HB GLU 3 5.101 8.416 8.444 17 HB3 GLU 3 1HB GLU 3 3.931 7.104 8.222 18 HG2 GLU 3 2HG GLU 3 6.817 7.394 7.398 19 HG3 GLU 3 1HG GLU 3 6.037 6.064 8.236 20 H ARG 4 H ARG 4 6.507 8.430 5.821 21 HA ARG 4 HA ARG 4 7.184 11.112 6.183 22 HB2 ARG 4 2HB ARG 4 9.386 10.565 5.531 23 HB3 ARG 4 1HB ARG 4 8.765 9.029 6.096 24 HG2 ARG 4 2HG ARG 4 9.827 8.365 4.154 25 HG3 ARG 4 1HG ARG 4 8.209 8.676 3.527 26 HD2 ARG 4 2HD ARG 4 9.284 11.145 3.241 27 HD3 ARG 4 1HD ARG 4 10.744 10.176 3.077 28 HE ARG 4 HE ARG 4 8.779 9.069 1.421 29 HH11 ARG 4 1HH1 ARG 4 10.786 12.019 1.472 30 HH12 ARG 4 2HH1 ARG 4 10.453 12.330 -0.195 31 HH21 ARG 4 1HH2 ARG 4 8.343 9.644 -0.732 32 HH22 ARG 4 2HH2 ARG 4 9.092 11.020 -1.441 33 H GLU 5 H GLU 5 5.610 9.477 3.705 34 HA GLU 5 HA GLU 5 6.654 10.745 1.392 35 HB2 GLU 5 2HB GLU 5 4.006 9.433 1.632 36 HB3 GLU 5 1HB GLU 5 5.049 9.516 0.215 37 HG2 GLU 5 2HG GLU 5 5.443 7.885 2.709 38 HG3 GLU 5 1HG GLU 5 4.935 7.294 1.146 39 H GLN 6 H GLN 6 3.409 10.847 2.923 40 HA GLN 6 HA GLN 6 2.933 13.520 1.736 41 HB2 GLN 6 2HB GLN 6 1.060 11.166 1.791 42 HB3 GLN 6 1HB GLN 6 0.719 12.744 1.102 43 HG2 GLN 6 2HG GLN 6 2.886 10.930 0.124 44 HG3 GLN 6 1HG GLN 6 1.220 10.888 -0.478 45 HE21 GLN 6 1HE2 GLN 6 4.164 12.852 -0.312 46 HE22 GLN 6 2HE2 GLN 6 3.698 13.941 -1.577 47 H GLN 7 H GLN 7 3.442 11.978 4.416 48 HA GLN 7 HA GLN 7 2.803 11.758 6.401 49 HB2 GLN 7 2HB GLN 7 1.390 14.380 5.911 50 HB3 GLN 7 1HB GLN 7 1.651 13.702 7.516 51 HG2 GLN 7 2HG GLN 7 4.056 13.735 7.138 52 HG3 GLN 7 1HG GLN 7 3.786 14.417 5.540 53 HE21 GLN 7 1HE2 GLN 7 3.682 15.002 8.950 54 HE22 GLN 7 2HE2 GLN 7 3.564 16.733 8.850 55 H LEU 8 H LEU 8 1.198 10.527 4.486 56 HA LEU 8 HA LEU 8 -1.558 10.428 5.474 57 HB2 LEU 8 2HB LEU 8 -0.113 9.166 3.166 58 HB3 LEU 8 1HB LEU 8 -1.739 8.725 3.670 59 HG LEU 8 HG LEU 8 -0.977 11.500 2.996 60 HD11 LEU 8 1HD1 LEU 8 -0.530 10.185 0.936 61 HD12 LEU 8 2HD1 LEU 8 -2.047 11.048 0.721 62 HD13 LEU 8 3HD1 LEU 8 -2.067 9.339 1.138 63 HD21 LEU 8 3HD2 LEU 8 -3.026 11.304 4.222 64 HD22 LEU 8 1HD2 LEU 8 -3.626 10.077 3.105 65 HD23 LEU 8 2HD2 LEU 8 -3.408 11.738 2.559 66 H GLU 9 H GLU 9 -2.409 8.646 5.883 67 HA GLU 9 HA GLU 9 -0.852 6.877 7.644 68 HB2 GLU 9 2HB GLU 9 -3.226 7.845 8.133 69 HB3 GLU 9 1HB GLU 9 -3.693 6.663 6.902 70 HG2 GLU 9 2HG GLU 9 -2.947 4.847 8.276 71 HG3 GLU 9 1HG GLU 9 -2.438 5.983 9.535 72 H SER 10 H SER 10 -0.787 4.596 7.147 73 HA SER 10 HA SER 10 -0.860 4.010 4.386 74 HB2 SER 10 2HB SER 10 0.181 2.027 5.169 75 HB3 SER 10 1HB SER 10 0.811 3.573 5.907 76 HG SER 10 HG SER 10 -1.174 2.354 7.346 77 H CYS 11 H CYS 11 -2.121 2.136 3.595 78 HA CYS 11 HA CYS 11 -3.965 0.871 5.382 79 HB2 CYS 11 2HB CYS 11 -6.039 1.686 4.444 80 HB3 CYS 11 1HB CYS 11 -5.048 3.126 4.462 81 H ALA 12 H ALA 12 -5.343 -0.711 3.829 82 HA ALA 12 HA ALA 12 -3.553 -1.577 1.688 83 HB1 ALA 12 1HB ALA 12 -4.157 -3.905 2.251 84 HB2 ALA 12 2HB ALA 12 -5.085 -3.320 3.634 85 HB3 ALA 12 3HB ALA 12 -3.335 -3.108 3.592 86 H CYS 13 H CYS 13 -4.587 -1.701 -0.235 87 HA CYS 13 HA CYS 13 -7.261 -0.927 -0.399 88 HB2 CYS 13 2HB CYS 13 -5.363 -2.058 -2.466 89 HB3 CYS 13 1HB CYS 13 -6.967 -1.472 -2.833 90 H ASN 14 H ASN 14 -9.080 -1.901 -0.660 91 HA ASN 14 HA ASN 14 -9.577 -4.461 0.342 92 HB2 ASN 14 2HB ASN 14 -11.197 -2.554 0.244 93 HB3 ASN 14 1HB ASN 14 -11.300 -2.815 -1.495 94 HD21 ASN 14 1HD2 ASN 14 -12.561 -4.543 -2.276 95 HD22 ASN 14 2HD2 ASN 14 -13.577 -5.465 -1.224 96 H GLU 15 H GLU 15 -8.717 -3.429 -2.804 97 HA GLU 15 HA GLU 15 -9.724 -5.622 -4.105 98 HB2 GLU 15 2HB GLU 15 -9.329 -3.353 -5.133 99 HB3 GLU 15 1HB GLU 15 -7.606 -3.674 -5.028 100 HG2 GLU 15 2HG GLU 15 -9.503 -5.345 -6.664 101 HG3 GLU 15 1HG GLU 15 -8.614 -3.960 -7.297 102 H THR 16 H THR 16 -8.436 -7.461 -4.764 103 HA THR 16 HA THR 16 -6.723 -8.491 -2.833 104 HB THR 16 HB THR 16 -7.342 -9.396 -5.624 105 HG1 THR 16 1HG THR 16 -9.094 -9.902 -4.597 106 HG21 THR 16 3HG2 THR 16 -5.908 -10.920 -3.420 107 HG22 THR 16 1HG2 THR 16 -5.151 -10.278 -4.882 108 HG23 THR 16 2HG2 THR 16 -6.363 -11.567 -4.998 109 H ASP 17 H ASP 17 -5.928 -7.302 -6.079 110 HA ASP 17 HA ASP 17 -3.254 -8.139 -5.738 111 HB2 ASP 17 2HB ASP 17 -4.297 -8.047 -7.938 112 HB3 ASP 17 1HB ASP 17 -4.507 -6.301 -7.698 113 H ASN 18 H ASN 18 -5.069 -5.122 -5.529 114 HA ASN 18 HA ASN 18 -2.751 -3.567 -5.146 115 HB2 ASN 18 2HB ASN 18 -5.660 -2.918 -5.113 116 HB3 ASN 18 1HB ASN 18 -4.468 -1.750 -4.555 117 HD21 ASN 18 1HD2 ASN 18 -5.515 -3.666 -7.317 118 HD22 ASN 18 2HD2 ASN 18 -4.754 -2.681 -8.507 119 H SER 19 H SER 19 -4.300 -5.582 -3.143 120 HA SER 19 HA SER 19 -4.006 -4.106 -0.733 121 HB2 SER 19 2HB SER 19 -4.146 -6.279 0.445 122 HB3 SER 19 1HB SER 19 -5.250 -6.343 -0.927 123 HG SER 19 HG SER 19 -3.873 -7.634 -1.982 124 H CYS 20 H CYS 20 -1.727 -5.491 -2.913 125 HA CYS 20 HA CYS 20 0.413 -5.688 -0.950 126 HB2 CYS 20 2HB CYS 20 0.356 -6.244 -3.879 127 HB3 CYS 20 1HB CYS 20 1.780 -6.483 -2.881 128 H LYS 21 H LYS 21 -0.796 -3.332 -2.910 129 HA LYS 21 HA LYS 21 1.740 -1.891 -2.780 130 HB2 LYS 21 2HB LYS 21 -0.622 -1.708 -4.642 131 HB3 LYS 21 1HB LYS 21 0.471 -0.352 -4.388 132 HG2 LYS 21 2HG LYS 21 1.214 -1.419 -6.366 133 HG3 LYS 21 1HG LYS 21 2.325 -1.865 -5.062 134 HD2 LYS 21 2HD LYS 21 1.994 -3.840 -6.337 135 HD3 LYS 21 1HD LYS 21 1.028 -4.030 -4.877 136 HE2 LYS 21 2HE LYS 21 -0.985 -3.445 -6.094 137 HE3 LYS 21 1HE LYS 21 -0.044 -3.106 -7.544 138 HZ1 LYS 21 3HZ LYS 21 -0.433 -5.796 -6.283 139 HZ2 LYS 21 1HZ LYS 21 0.595 -5.519 -7.581 140 HZ3 LYS 21 2HZ LYS 21 -1.036 -5.269 -7.717 141 H VAL 22 H VAL 22 1.941 -0.173 -2.189 142 HA VAL 22 HA VAL 22 0.723 0.100 0.291 143 HB VAL 22 HB VAL 22 2.551 1.907 -1.212 144 HG11 VAL 22 1HG1 VAL 22 1.732 1.885 1.696 145 HG12 VAL 22 2HG1 VAL 22 1.315 3.073 0.454 146 HG13 VAL 22 3HG1 VAL 22 2.995 2.928 0.991 147 HG21 VAL 22 3HG2 VAL 22 4.307 0.795 0.228 148 HG22 VAL 22 1HG2 VAL 22 3.447 -0.319 -0.849 149 HG23 VAL 22 2HG2 VAL 22 3.064 -0.273 0.853 150 H CYS 23 H CYS 23 -1.109 0.636 0.333 151 HA CYS 23 HA CYS 23 -2.090 2.994 -1.108 152 HB2 CYS 23 2HB CYS 23 -3.655 1.187 0.697 153 HB3 CYS 23 1HB CYS 23 -4.249 2.365 -0.491 154 H CYS 24 H CYS 24 -3.185 4.632 0.111 155 HA CYS 24 HA CYS 24 -2.146 4.936 2.792 156 HB2 CYS 24 2HB CYS 24 -2.396 6.986 0.580 157 HB3 CYS 24 1HB CYS 24 -2.007 7.360 2.252 158 H ARG 25 H ARG 25 -3.552 6.538 3.968 159 HA ARG 25 HA ARG 25 -6.283 5.895 3.177 160 HB2 ARG 25 2HB ARG 25 -5.090 4.856 5.289 161 HB3 ARG 25 1HB ARG 25 -5.375 6.449 5.948 162 HG2 ARG 25 2HG ARG 25 -7.643 5.161 4.699 163 HG3 ARG 25 1HG ARG 25 -7.087 4.445 6.224 164 HD2 ARG 25 2HD ARG 25 -7.867 7.340 5.708 165 HD3 ARG 25 1HD ARG 25 -8.836 6.157 6.595 166 HE ARG 25 HE ARG 25 -6.548 6.150 7.982 167 HH11 ARG 25 1HH1 ARG 25 -8.453 8.892 6.822 168 HH12 ARG 25 2HH1 ARG 25 -8.175 9.869 8.192 169 HH21 ARG 25 1HH2 ARG 25 -6.071 7.450 9.793 170 HH22 ARG 25 2HH2 ARG 25 -6.720 9.005 9.986 171 H ASP 26 H ASP 26 -7.514 7.595 2.793 172 HA ASP 26 HA ASP 26 -6.271 10.172 3.113 173 HB2 ASP 26 2HB ASP 26 -7.412 10.839 1.241 174 HB3 ASP 26 1HB ASP 26 -7.366 9.113 0.916 175 H LEU 27 H LEU 27 -8.194 11.696 3.111 176 HA LEU 27 HA LEU 27 -8.818 12.020 5.761 177 HB2 LEU 27 2HB LEU 27 -10.426 13.814 4.842 178 HB3 LEU 27 1HB LEU 27 -8.675 14.093 4.816 179 HG LEU 27 HG LEU 27 -10.124 12.983 2.420 180 HD11 LEU 27 1HD1 LEU 27 -11.410 14.978 3.125 181 HD12 LEU 27 2HD1 LEU 27 -10.508 15.300 1.643 182 HD13 LEU 27 3HD1 LEU 27 -9.915 15.913 3.186 183 HD21 LEU 27 3HD2 LEU 27 -7.747 14.834 2.710 184 HD22 LEU 27 1HD2 LEU 27 -8.381 14.200 1.196 185 HD23 LEU 27 2HD2 LEU 27 -7.653 13.108 2.372 186 H SER 28 H SER 28 -10.777 10.998 3.066 187 HA SER 28 HA SER 28 -13.156 10.936 4.596 188 HB2 SER 28 2HB SER 28 -12.512 10.078 1.803 189 HB3 SER 28 1HB SER 28 -14.162 10.180 2.457 190 HG SER 28 HG SER 28 -12.874 12.439 2.946 191 H GLY 29 H GLY 29 -10.517 9.112 4.434 192 HA2 GLY 29 2HA GLY 29 -10.003 7.315 5.347 193 HA3 GLY 29 1HA GLY 29 -11.685 6.941 5.772 194 H ARG 30 H ARG 30 -10.489 7.471 2.484 195 HA ARG 30 HA ARG 30 -11.236 4.744 1.808 196 HB2 ARG 30 2HB ARG 30 -10.528 7.132 0.118 197 HB3 ARG 30 1HB ARG 30 -11.167 5.599 -0.461 198 HG2 ARG 30 2HG ARG 30 -13.278 6.007 0.417 199 HG3 ARG 30 1HG ARG 30 -12.677 7.250 1.518 200 HD2 ARG 30 2HD ARG 30 -12.689 7.464 -1.472 201 HD3 ARG 30 1HD ARG 30 -13.916 8.162 -0.398 202 HE ARG 30 HE ARG 30 -11.318 8.985 0.368 203 HH11 ARG 30 1HH1 ARG 30 -13.692 9.586 -2.178 204 HH12 ARG 30 2HH1 ARG 30 -13.284 11.231 -2.388 205 HH21 ARG 30 1HH2 ARG 30 -10.784 11.199 0.138 206 HH22 ARG 30 2HH2 ARG 30 -11.542 12.206 -1.008 207 H CYS 31 H CYS 31 -9.790 3.658 0.298 208 HA CYS 31 HA CYS 31 -7.026 4.120 0.977 209 HB2 CYS 31 2HB CYS 31 -8.506 1.755 -0.059 210 HB3 CYS 31 1HB CYS 31 -6.774 1.893 -0.364 211 H VAL 32 H VAL 32 -5.836 5.232 -0.212 212 HA VAL 32 HA VAL 32 -6.345 5.225 -2.972 213 HB VAL 32 HB VAL 32 -6.895 7.424 -2.268 214 HG11 VAL 32 1HG1 VAL 32 -6.091 7.599 -0.062 215 HG12 VAL 32 2HG1 VAL 32 -5.216 8.851 -0.941 216 HG13 VAL 32 3HG1 VAL 32 -4.433 7.306 -0.569 217 HG21 VAL 32 3HG2 VAL 32 -5.237 8.874 -3.343 218 HG22 VAL 32 1HG2 VAL 32 -5.499 7.396 -4.273 219 HG23 VAL 32 2HG2 VAL 32 -4.053 7.565 -3.280 220 HA PRO 33 HA PRO 33 -2.335 3.116 -3.046 221 HB2 PRO 33 2HB PRO 33 -2.336 4.191 -5.830 222 HB3 PRO 33 1HB PRO 33 -2.082 2.523 -5.275 223 HG2 PRO 33 2HG PRO 33 -4.353 3.178 -6.403 224 HG3 PRO 33 1HG PRO 33 -4.323 2.106 -4.989 225 HD2 PRO 33 2HD PRO 33 -5.105 4.987 -5.129 226 HD3 PRO 33 1HD PRO 33 -5.778 3.660 -4.157 227 H TYR 34 H TYR 34 -0.386 3.905 -2.356 228 HA TYR 34 HA TYR 34 0.126 6.619 -2.287 229 HB2 TYR 34 2HB TYR 34 1.172 5.728 -0.645 230 HB3 TYR 34 1HB TYR 34 1.483 4.170 -1.425 231 HD1 TYR 34 1HD TYR 34 2.740 7.857 -1.688 232 HD2 TYR 34 2HD TYR 34 3.853 3.641 -1.572 233 HE1 TYR 34 1HE TYR 34 4.899 8.398 -1.770 234 HE2 TYR 34 2HE TYR 34 6.148 4.366 -1.639 235 HH TYR 34 HH TYR 34 7.158 7.448 -1.090 236 H VAL 35 H VAL 35 0.943 7.995 -3.553 237 HA VAL 35 HA VAL 35 3.187 7.363 -5.133 238 HB VAL 35 HB VAL 35 1.617 9.405 -6.241 239 HG11 VAL 35 1HG1 VAL 35 2.741 6.964 -7.503 240 HG12 VAL 35 2HG1 VAL 35 3.487 8.543 -7.243 241 HG13 VAL 35 3HG1 VAL 35 2.137 8.390 -8.377 242 HG21 VAL 35 3HG2 VAL 35 -0.209 8.194 -7.390 243 HG22 VAL 35 1HG2 VAL 35 -0.330 8.092 -5.625 244 HG23 VAL 35 2HG2 VAL 35 0.280 6.710 -6.542 245 H ASP 36 H ASP 36 4.522 9.010 -4.678 246 HA ASP 36 HA ASP 36 3.373 11.383 -3.280 247 HB2 ASP 36 2HB ASP 36 5.614 11.655 -2.493 248 HB3 ASP 36 1HB ASP 36 4.966 10.074 -2.061 249 H ALA 37 H ALA 37 5.058 12.897 -3.456 250 HA ALA 37 HA ALA 37 3.723 13.966 -5.501 251 HB1 ALA 37 1HB ALA 37 4.191 14.887 -3.490 252 HB2 ALA 37 2HB ALA 37 4.759 16.041 -4.760 253 HB3 ALA 37 3HB ALA 37 5.913 15.002 -3.832 254 H GLU 38 H GLU 38 6.596 12.337 -5.107 255 HA GLU 38 HA GLU 38 8.118 13.238 -7.192 256 HB2 GLU 38 2HB GLU 38 8.130 11.010 -5.263 257 HB3 GLU 38 1HB GLU 38 9.466 11.211 -6.415 258 HG2 GLU 38 2HG GLU 38 10.084 13.294 -5.357 259 HG3 GLU 38 1HG GLU 38 8.604 13.302 -4.398 260 H GLN 39 H GLN 39 5.163 11.294 -6.920 261 HA GLN 39 HA GLN 39 4.061 10.076 -8.049 262 HB2 GLN 39 2HB GLN 39 6.070 10.952 -9.898 263 HB3 GLN 39 1HB GLN 39 4.792 9.856 -10.535 264 HG2 GLN 39 2HG GLN 39 3.178 11.577 -9.650 265 HG3 GLN 39 1HG GLN 39 4.569 12.584 -9.263 266 HE21 GLN 39 1HE2 GLN 39 2.623 11.246 -11.802 267 HE22 GLN 39 2HE2 GLN 39 3.227 12.275 -13.065 268 H LYS 40 H LYS 40 6.114 8.963 -6.403 269 HA LYS 40 HA LYS 40 6.766 6.577 -7.922 270 HB2 LYS 40 2HB LYS 40 8.600 6.377 -6.758 271 HB3 LYS 40 1HB LYS 40 8.174 8.106 -6.347 272 HG2 LYS 40 2HG LYS 40 7.500 7.545 -4.202 273 HG3 LYS 40 1HG LYS 40 7.391 5.825 -4.579 274 HD2 LYS 40 2HD LYS 40 9.341 6.235 -3.190 275 HD3 LYS 40 1HD LYS 40 9.852 5.743 -4.802 276 HE2 LYS 40 2HE LYS 40 11.257 7.540 -4.110 277 HE3 LYS 40 1HE LYS 40 10.172 8.170 -5.343 278 HZ1 LYS 40 3HZ LYS 40 9.959 8.583 -2.410 279 HZ2 LYS 40 1HZ LYS 40 8.777 9.070 -3.495 280 HZ3 LYS 40 2HZ LYS 40 10.298 9.733 -3.593 281 H ASN 41 H ASN 41 6.437 4.562 -7.062 282 HA ASN 41 HA ASN 41 4.498 4.382 -4.939 283 HB2 ASN 41 2HB ASN 41 3.483 4.193 -7.275 284 HB3 ASN 41 1HB ASN 41 4.678 2.885 -7.411 285 HD21 ASN 41 1HD2 ASN 41 1.779 3.766 -5.570 286 HD22 ASN 41 2HD2 ASN 41 1.242 2.143 -5.317 287 H LEU 42 H LEU 42 4.533 1.882 -4.474 288 HA LEU 42 HA LEU 42 6.611 0.266 -5.097 289 HB2 LEU 42 2HB LEU 42 7.974 0.380 -3.043 290 HB3 LEU 42 1HB LEU 42 7.771 1.752 -4.165 291 HG LEU 42 HG LEU 42 6.555 3.013 -2.713 292 HD11 LEU 42 1HD1 LEU 42 5.191 1.564 -1.527 293 HD12 LEU 42 2HD1 LEU 42 6.155 2.409 -0.325 294 HD13 LEU 42 3HD1 LEU 42 6.553 0.738 -0.764 295 HD21 LEU 42 3HD2 LEU 42 8.917 3.262 -2.471 296 HD22 LEU 42 1HD2 LEU 42 8.978 1.958 -1.285 297 HD23 LEU 42 2HD2 LEU 42 8.158 3.468 -0.891 298 H PHE 43 H PHE 43 6.892 -1.513 -3.353 299 HA PHE 43 HA PHE 43 4.313 -2.566 -3.082 300 HB2 PHE 43 2HB PHE 43 5.579 -3.854 -4.515 301 HB3 PHE 43 1HB PHE 43 7.048 -3.598 -3.603 302 HD1 PHE 43 2HD PHE 43 3.715 -5.225 -3.019 303 HD2 PHE 43 1HD PHE 43 7.952 -5.492 -2.736 304 HE1 PHE 43 2HE PHE 43 3.519 -7.492 -2.071 305 HE2 PHE 43 1HE PHE 43 7.758 -7.752 -1.799 306 HZ PHE 43 HZ PHE 43 5.537 -8.752 -1.465 307 H LEU 44 H LEU 44 3.582 -3.457 -1.068 308 HA LEU 44 HA LEU 44 4.667 -2.669 1.246 309 HB2 LEU 44 2HB LEU 44 2.503 -4.580 0.527 310 HB3 LEU 44 1HB LEU 44 3.015 -4.482 2.195 311 HG LEU 44 HG LEU 44 1.982 -2.124 0.598 312 HD11 LEU 44 1HD1 LEU 44 0.612 -3.846 2.660 313 HD12 LEU 44 2HD1 LEU 44 0.243 -3.813 0.934 314 HD13 LEU 44 3HD1 LEU 44 -0.048 -2.386 1.926 315 HD21 LEU 44 3HD2 LEU 44 3.489 -1.524 2.457 316 HD22 LEU 44 1HD2 LEU 44 2.502 -2.493 3.549 317 HD23 LEU 44 2HD2 LEU 44 1.824 -1.056 2.788 318 H ARG 45 H ARG 45 4.768 -4.734 3.017 319 HA ARG 45 HA ARG 45 7.117 -6.170 2.475 320 HB2 ARG 45 2HB ARG 45 5.622 -5.636 4.691 321 HB3 ARG 45 1HB ARG 45 5.345 -7.362 4.354 322 HG2 ARG 45 2HG ARG 45 7.804 -7.744 4.314 323 HG3 ARG 45 1HG ARG 45 8.006 -6.117 4.962 324 HD2 ARG 45 2HD ARG 45 8.062 -7.705 6.779 325 HD3 ARG 45 1HD ARG 45 6.581 -6.752 6.890 326 HE ARG 45 HE ARG 45 6.150 -9.170 5.427 327 HH11 ARG 45 1HH1 ARG 45 6.472 -7.998 8.752 328 HH12 ARG 45 2HH1 ARG 45 5.581 -9.275 9.436 329 HH21 ARG 45 1HH2 ARG 45 4.941 -10.902 6.329 330 HH22 ARG 45 2HH2 ARG 45 4.662 -11.002 7.987 331 H LYS 46 H LYS 46 7.064 -8.579 2.940 332 HA LYS 46 HA LYS 46 5.222 -9.956 1.104 333 HB2 LYS 46 2HB LYS 46 6.966 -11.700 0.918 334 HB3 LYS 46 1HB LYS 46 7.627 -10.127 0.497 335 HG2 LYS 46 2HG LYS 46 8.554 -9.982 2.818 336 HG3 LYS 46 1HG LYS 46 8.015 -11.632 3.079 337 HD2 LYS 46 2HD LYS 46 9.987 -10.787 0.939 338 HD3 LYS 46 1HD LYS 46 10.450 -11.389 2.520 339 HE2 LYS 46 2HE LYS 46 10.679 -13.217 1.025 340 HE3 LYS 46 1HE LYS 46 9.198 -13.525 1.920 341 HZ1 LYS 46 3HZ LYS 46 7.898 -13.064 0.065 342 HZ2 LYS 46 1HZ LYS 46 9.141 -13.909 -0.568 343 HZ3 LYS 46 2HZ LYS 46 9.096 -12.238 -0.767 344 H GLY 47 H GLY 47 4.238 -11.894 1.786 345 HA2 GLY 47 2HA GLY 47 3.207 -13.331 3.221 346 HA3 GLY 47 1HA GLY 47 4.608 -13.159 4.307 347 H LYS 48 H LYS 48 2.614 -10.609 3.133 348 HA LYS 48 HA LYS 48 1.693 -10.129 5.824 349 HB2 LYS 48 2HB LYS 48 2.280 -7.988 5.303 350 HB3 LYS 48 1HB LYS 48 2.637 -8.548 3.676 351 HG2 LYS 48 2HG LYS 48 -0.154 -7.745 4.465 352 HG3 LYS 48 1HG LYS 48 1.036 -6.546 3.960 353 HD2 LYS 48 2HD LYS 48 1.283 -7.633 1.817 354 HD3 LYS 48 1HD LYS 48 0.249 -8.961 2.336 355 HE2 LYS 48 2HE LYS 48 -1.611 -7.367 2.568 356 HE3 LYS 48 1HE LYS 48 -0.563 -6.090 1.948 357 HZ1 LYS 48 3HZ LYS 48 -1.368 -8.552 0.477 358 HZ2 LYS 48 1HZ LYS 48 -0.327 -7.369 -0.117 359 HZ3 LYS 48 2HZ LYS 48 -1.932 -7.006 0.196 360 HA PRO 49 HA PRO 49 -2.332 -11.728 4.779 361 HB2 PRO 49 2HB PRO 49 -3.463 -9.638 6.544 362 HB3 PRO 49 1HB PRO 49 -3.578 -11.403 6.688 363 HG2 PRO 49 2HG PRO 49 -2.076 -10.025 8.362 364 HG3 PRO 49 1HG PRO 49 -1.564 -11.612 7.752 365 HD2 PRO 49 2HD PRO 49 -0.633 -8.902 6.917 366 HD3 PRO 49 1HD PRO 49 0.285 -10.403 7.169 367 H CYS 50 H CYS 50 -3.553 -11.327 3.103 368 HA CYS 50 HA CYS 50 -4.040 -8.591 2.291 369 HB2 CYS 50 2HB CYS 50 -4.421 -11.007 0.556 370 HB3 CYS 50 1HB CYS 50 -4.229 -9.303 0.137 371 H THR 51 H THR 51 -6.017 -9.317 0.424 372 HA THR 51 HA THR 51 -8.437 -9.413 1.718 373 HB THR 51 HB THR 51 -9.103 -9.712 -0.747 374 HG1 THR 51 1HG THR 51 -7.597 -10.067 -2.166 375 HG21 THR 51 3HG2 THR 51 -8.560 -7.446 0.334 376 HG22 THR 51 1HG2 THR 51 -8.256 -7.541 -1.417 377 HG23 THR 51 2HG2 THR 51 -6.922 -7.701 -0.317 378 H VAL 52 H VAL 52 -6.655 -11.610 -0.267 379 HA VAL 52 HA VAL 52 -8.476 -13.838 0.274 380 HB VAL 52 HB VAL 52 -7.624 -14.833 -1.777 381 HG11 VAL 52 1HG1 VAL 52 -9.529 -13.388 -1.949 382 HG12 VAL 52 2HG1 VAL 52 -8.481 -13.026 -3.328 383 HG13 VAL 52 3HG1 VAL 52 -8.518 -11.951 -1.926 384 HG21 VAL 52 3HG2 VAL 52 -5.292 -13.937 -1.690 385 HG22 VAL 52 1HG2 VAL 52 -5.906 -12.329 -2.052 386 HG23 VAL 52 2HG2 VAL 52 -6.052 -13.601 -3.242 387 H GLY 53 H GLY 53 -5.295 -12.964 1.164 388 HA2 GLY 53 2HA GLY 53 -4.769 -15.209 2.585 389 HA3 GLY 53 1HA GLY 53 -4.090 -15.474 0.964 390 H PHE 54 H PHE 54 -2.002 -15.072 0.921 391 HA PHE 54 HA PHE 54 -1.008 -12.783 2.471 392 HB2 PHE 54 2HB PHE 54 0.422 -15.386 1.895 393 HB3 PHE 54 1HB PHE 54 1.230 -13.981 2.592 394 HD1 PHE 54 1HD PHE 54 0.443 -13.136 4.822 395 HD2 PHE 54 2HD PHE 54 -0.778 -16.889 3.234 396 HE1 PHE 54 1HE PHE 54 -0.218 -13.866 7.073 397 HE2 PHE 54 2HE PHE 54 -1.443 -17.628 5.484 398 HZ PHE 54 HZ PHE 54 -1.164 -16.117 7.407 399 H CYS 55 H CYS 55 0.851 -11.816 1.560 400 HA CYS 55 HA CYS 55 0.662 -11.730 -1.400 401 HB2 CYS 55 2HB CYS 55 0.056 -9.702 -0.172 402 HB3 CYS 55 1HB CYS 55 1.651 -9.737 0.578 403 H ASP 56 H ASP 56 2.594 -11.963 -2.597 404 HA ASP 56 HA ASP 56 4.937 -11.809 -0.887 405 HB2 ASP 56 2HB ASP 56 4.242 -14.199 -1.545 406 HB3 ASP 56 1HB ASP 56 4.936 -13.800 -3.120 407 H MET 57 H MET 57 6.867 -12.303 -3.006 408 HA MET 57 HA MET 57 7.558 -9.666 -3.469 409 HB2 MET 57 2HB MET 57 8.456 -12.058 -5.025 410 HB3 MET 57 1HB MET 57 9.295 -10.513 -4.971 411 HG2 MET 57 2HG MET 57 8.944 -12.545 -2.781 412 HG3 MET 57 1HG MET 57 10.436 -12.070 -3.576 413 HE1 MET 57 3HE MET 57 10.903 -8.405 -2.143 414 HE2 MET 57 1HE MET 57 10.043 -8.839 -3.620 415 HE3 MET 57 2HE MET 57 11.570 -9.628 -3.225 416 H ASN 58 H ASN 58 5.426 -11.534 -5.370 417 HA ASN 58 HA ASN 58 5.840 -10.178 -7.880 418 HB2 ASN 58 2HB ASN 58 4.804 -12.487 -7.599 419 HB3 ASN 58 1HB ASN 58 3.362 -11.686 -6.994 420 HD21 ASN 58 1HD2 ASN 58 2.060 -10.478 -8.495 421 HD22 ASN 58 2HD2 ASN 58 2.260 -10.702 -10.193 422 H GLY 59 H GLY 59 4.288 -9.384 -4.957 423 HA2 GLY 59 2HA GLY 59 3.135 -7.435 -4.377 424 HA3 GLY 59 1HA GLY 59 3.167 -6.970 -6.083 425 H LYS 60 H LYS 60 2.095 -9.993 -4.785 426 HA LYS 60 HA LYS 60 -0.796 -9.537 -5.204 427 HB2 LYS 60 2HB LYS 60 0.470 -10.321 -7.434 428 HB3 LYS 60 1HB LYS 60 0.644 -11.757 -6.397 429 HG2 LYS 60 2HG LYS 60 -1.750 -11.997 -6.211 430 HG3 LYS 60 1HG LYS 60 -2.004 -10.547 -7.178 431 HD2 LYS 60 2HD LYS 60 -1.040 -11.633 -9.113 432 HD3 LYS 60 1HD LYS 60 -0.631 -13.052 -8.144 433 HE2 LYS 60 2HE LYS 60 -3.421 -12.031 -8.689 434 HE3 LYS 60 1HE LYS 60 -2.665 -13.426 -9.459 435 HZ1 LYS 60 3HZ LYS 60 -3.280 -13.226 -6.518 436 HZ2 LYS 60 1HZ LYS 60 -2.488 -14.464 -7.242 437 HZ3 LYS 60 2HZ LYS 60 -4.049 -14.241 -7.603 438 H CYS 61 H CYS 61 -1.897 -11.133 -4.589 439 HA CYS 61 HA CYS 61 -0.792 -12.644 -2.369 440 HB2 CYS 61 2HB CYS 61 -3.256 -11.234 -3.060 441 HB3 CYS 61 1HB CYS 61 -3.192 -12.219 -1.536 442 H GLU 62 H GLU 62 -1.157 -14.861 -2.635 443 HA GLU 62 HA GLU 62 -1.126 -16.539 -4.144 444 HB2 GLU 62 2HB GLU 62 -3.729 -16.077 -2.871 445 HB3 GLU 62 1HB GLU 62 -3.573 -17.505 -3.916 446 HG2 GLU 62 2HG GLU 62 -3.148 -18.171 -1.626 447 HG3 GLU 62 1HG GLU 62 -1.623 -18.162 -2.512 Start of MODEL 14 1 H PHE 1 1HT PHE 1 7.529 5.947 4.032 2 HA PHE 1 HA PHE 1 6.091 4.804 2.534 3 HB2 PHE 1 2HB PHE 1 4.875 3.628 5.080 4 HB3 PHE 1 1HB PHE 1 4.127 3.573 3.486 5 HD1 PHE 1 2HD PHE 1 4.868 2.305 1.868 6 HD2 PHE 1 1HD PHE 1 6.783 2.194 5.578 7 HE1 PHE 1 2HE PHE 1 5.973 0.117 1.206 8 HE2 PHE 1 1HE PHE 1 7.898 0.063 5.012 9 HZ PHE 1 HZ PHE 1 7.487 -0.980 2.813 10 H CYS 2 H CYS 2 3.372 5.095 3.115 11 HA CYS 2 HA CYS 2 3.132 7.795 2.747 12 HB2 CYS 2 2HB CYS 2 1.210 5.713 3.250 13 HB3 CYS 2 1HB CYS 2 0.670 7.282 3.845 14 H GLU 3 H GLU 3 3.344 6.352 5.930 15 HA GLU 3 HA GLU 3 2.294 8.522 7.270 16 HB2 GLU 3 2HB GLU 3 3.995 7.624 9.170 17 HB3 GLU 3 1HB GLU 3 2.433 6.912 8.844 18 HG2 GLU 3 2HG GLU 3 4.206 5.236 9.175 19 HG3 GLU 3 1HG GLU 3 3.465 5.117 7.590 20 H ARG 4 H ARG 4 5.843 7.935 7.155 21 HA ARG 4 HA ARG 4 6.275 10.568 7.802 22 HB2 ARG 4 2HB ARG 4 8.621 10.184 7.424 23 HB3 ARG 4 1HB ARG 4 7.922 8.747 8.168 24 HG2 ARG 4 2HG ARG 4 8.089 7.498 6.263 25 HG3 ARG 4 1HG ARG 4 8.082 8.909 5.215 26 HD2 ARG 4 2HD ARG 4 10.386 9.371 6.467 27 HD3 ARG 4 1HD ARG 4 10.338 7.607 6.634 28 HE ARG 4 HE ARG 4 9.612 7.960 4.106 29 HH11 ARG 4 1HH1 ARG 4 12.537 8.873 5.834 30 HH12 ARG 4 2HH1 ARG 4 13.431 9.276 4.427 31 HH21 ARG 4 1HH2 ARG 4 10.670 8.590 2.262 32 HH22 ARG 4 2HH2 ARG 4 12.302 9.096 2.218 33 H GLU 5 H GLU 5 5.736 9.085 4.555 34 HA GLU 5 HA GLU 5 7.223 11.082 3.172 35 HB2 GLU 5 2HB GLU 5 4.980 9.491 2.042 36 HB3 GLU 5 1HB GLU 5 6.279 10.220 1.106 37 HG2 GLU 5 2HG GLU 5 6.088 7.639 2.624 38 HG3 GLU 5 1HG GLU 5 6.560 7.901 0.970 39 H GLN 6 H GLN 6 3.669 10.646 3.871 40 HA GLN 6 HA GLN 6 3.164 13.247 2.524 41 HB2 GLN 6 2HB GLN 6 1.461 10.763 2.506 42 HB3 GLN 6 1HB GLN 6 1.056 12.296 1.762 43 HG2 GLN 6 2HG GLN 6 3.421 10.659 1.051 44 HG3 GLN 6 1HG GLN 6 1.837 10.511 0.249 45 HE21 GLN 6 1HE2 GLN 6 1.156 12.164 -1.095 46 HE22 GLN 6 2HE2 GLN 6 2.211 13.423 -1.646 47 H GLN 7 H GLN 7 3.196 11.626 5.338 48 HA GLN 7 HA GLN 7 2.213 11.516 7.156 49 HB2 GLN 7 2HB GLN 7 1.037 14.182 6.353 50 HB3 GLN 7 1HB GLN 7 0.815 13.523 7.970 51 HG2 GLN 7 2HG GLN 7 3.511 13.786 6.769 52 HG3 GLN 7 1HG GLN 7 2.754 15.183 7.560 53 HE21 GLN 7 1HE2 GLN 7 4.153 12.001 8.012 54 HE22 GLN 7 2HE2 GLN 7 4.287 12.127 9.729 55 H LEU 8 H LEU 8 0.993 10.339 4.934 56 HA LEU 8 HA LEU 8 -1.918 10.210 5.394 57 HB2 LEU 8 2HB LEU 8 -0.088 9.135 3.295 58 HB3 LEU 8 1HB LEU 8 -1.717 8.534 3.524 59 HG LEU 8 HG LEU 8 -1.075 11.378 3.050 60 HD11 LEU 8 1HD1 LEU 8 -1.820 10.864 0.645 61 HD12 LEU 8 2HD1 LEU 8 -1.748 9.145 1.082 62 HD13 LEU 8 3HD1 LEU 8 -0.282 10.126 1.090 63 HD21 LEU 8 3HD2 LEU 8 -3.620 9.793 2.777 64 HD22 LEU 8 1HD2 LEU 8 -3.441 11.484 2.313 65 HD23 LEU 8 2HD2 LEU 8 -3.252 11.012 3.998 66 H GLU 9 H GLU 9 -2.831 8.639 5.885 67 HA GLU 9 HA GLU 9 -1.563 6.680 7.625 68 HB2 GLU 9 2HB GLU 9 -4.004 7.705 7.744 69 HB3 GLU 9 1HB GLU 9 -4.228 6.478 6.480 70 HG2 GLU 9 2HG GLU 9 -3.726 4.706 7.970 71 HG3 GLU 9 1HG GLU 9 -3.376 5.847 9.275 72 H SER 10 H SER 10 -1.255 4.539 6.976 73 HA SER 10 HA SER 10 -1.334 4.019 4.186 74 HB2 SER 10 2HB SER 10 -0.010 2.178 4.851 75 HB3 SER 10 1HB SER 10 0.435 3.752 5.647 76 HG SER 10 HG SER 10 -1.319 2.216 7.087 77 H CYS 11 H CYS 11 -2.397 2.123 3.405 78 HA CYS 11 HA CYS 11 -4.206 0.736 5.162 79 HB2 CYS 11 2HB CYS 11 -6.289 1.367 4.081 80 HB3 CYS 11 1HB CYS 11 -5.470 2.896 4.325 81 H ALA 12 H ALA 12 -5.439 -0.924 3.668 82 HA ALA 12 HA ALA 12 -3.651 -1.677 1.487 83 HB1 ALA 12 1HB ALA 12 -3.426 -3.249 3.364 84 HB2 ALA 12 2HB ALA 12 -4.238 -4.025 2.003 85 HB3 ALA 12 3HB ALA 12 -5.176 -3.474 3.391 86 H CYS 13 H CYS 13 -4.698 -1.774 -0.461 87 HA CYS 13 HA CYS 13 -7.371 -1.008 -0.674 88 HB2 CYS 13 2HB CYS 13 -5.475 -2.330 -2.636 89 HB3 CYS 13 1HB CYS 13 -7.013 -1.615 -3.054 90 H ASN 14 H ASN 14 -9.183 -2.000 -0.605 91 HA ASN 14 HA ASN 14 -9.552 -4.506 0.532 92 HB2 ASN 14 2HB ASN 14 -11.257 -2.700 0.467 93 HB3 ASN 14 1HB ASN 14 -11.489 -3.015 -1.248 94 HD21 ASN 14 1HD2 ASN 14 -12.722 -4.835 -1.876 95 HD22 ASN 14 2HD2 ASN 14 -13.608 -5.759 -0.712 96 H GLU 15 H GLU 15 -9.067 -3.700 -2.758 97 HA GLU 15 HA GLU 15 -10.033 -6.064 -3.776 98 HB2 GLU 15 2HB GLU 15 -9.840 -3.875 -5.032 99 HB3 GLU 15 1HB GLU 15 -8.100 -4.115 -5.020 100 HG2 GLU 15 2HG GLU 15 -9.985 -6.029 -6.361 101 HG3 GLU 15 1HG GLU 15 -9.258 -4.643 -7.174 102 H THR 16 H THR 16 -8.762 -8.009 -4.077 103 HA THR 16 HA THR 16 -6.710 -8.544 -2.322 104 HB THR 16 HB THR 16 -7.493 -10.022 -4.825 105 HG1 THR 16 1HG THR 16 -8.372 -9.910 -2.174 106 HG21 THR 16 3HG2 THR 16 -5.922 -11.093 -2.428 107 HG22 THR 16 1HG2 THR 16 -5.208 -10.558 -3.974 108 HG23 THR 16 2HG2 THR 16 -6.326 -11.927 -3.926 109 H ASP 17 H ASP 17 -6.406 -7.924 -5.832 110 HA ASP 17 HA ASP 17 -3.698 -8.606 -5.746 111 HB2 ASP 17 2HB ASP 17 -5.106 -8.658 -7.811 112 HB3 ASP 17 1HB ASP 17 -5.114 -6.890 -7.712 113 H ASN 18 H ASN 18 -5.570 -5.618 -5.479 114 HA ASN 18 HA ASN 18 -3.246 -4.024 -5.479 115 HB2 ASN 18 2HB ASN 18 -6.124 -3.329 -5.206 116 HB3 ASN 18 1HB ASN 18 -4.879 -2.155 -4.803 117 HD21 ASN 18 1HD2 ASN 18 -6.190 -4.154 -7.386 118 HD22 ASN 18 2HD2 ASN 18 -5.550 -3.230 -8.685 119 H SER 19 H SER 19 -4.568 -5.875 -3.200 120 HA SER 19 HA SER 19 -3.772 -4.099 -1.084 121 HB2 SER 19 2HB SER 19 -4.134 -5.973 0.530 122 HB3 SER 19 1HB SER 19 -5.511 -5.643 -0.517 123 HG SER 19 HG SER 19 -4.263 -7.508 -1.798 124 H CYS 20 H CYS 20 -2.117 -5.664 -3.263 125 HA CYS 20 HA CYS 20 0.217 -5.968 -1.597 126 HB2 CYS 20 2HB CYS 20 -0.583 -7.040 -4.225 127 HB3 CYS 20 1HB CYS 20 1.145 -6.857 -3.875 128 H LYS 21 H LYS 21 -1.050 -3.342 -2.647 129 HA LYS 21 HA LYS 21 1.585 -2.126 -3.200 130 HB2 LYS 21 2HB LYS 21 -1.108 -1.375 -4.153 131 HB3 LYS 21 1HB LYS 21 0.335 -0.377 -4.395 132 HG2 LYS 21 2HG LYS 21 0.086 -1.264 -6.514 133 HG3 LYS 21 1HG LYS 21 1.017 -2.580 -5.799 134 HD2 LYS 21 2HD LYS 21 -1.025 -3.782 -5.294 135 HD3 LYS 21 1HD LYS 21 -1.980 -2.436 -5.915 136 HE2 LYS 21 2HE LYS 21 -0.933 -2.790 -8.135 137 HE3 LYS 21 1HE LYS 21 -0.133 -4.226 -7.485 138 HZ1 LYS 21 3HZ LYS 21 -2.179 -5.030 -8.488 139 HZ2 LYS 21 1HZ LYS 21 -3.069 -3.798 -7.745 140 HZ3 LYS 21 2HZ LYS 21 -2.357 -5.054 -6.887 141 H VAL 22 H VAL 22 1.823 -0.263 -2.596 142 HA VAL 22 HA VAL 22 0.918 -0.173 0.072 143 HB VAL 22 HB VAL 22 2.749 1.666 -1.469 144 HG11 VAL 22 1HG1 VAL 22 1.683 2.792 0.239 145 HG12 VAL 22 2HG1 VAL 22 3.334 2.482 0.839 146 HG13 VAL 22 3HG1 VAL 22 1.943 1.519 1.411 147 HG21 VAL 22 3HG2 VAL 22 3.365 -0.532 0.538 148 HG22 VAL 22 1HG2 VAL 22 4.532 0.386 -0.399 149 HG23 VAL 22 2HG2 VAL 22 3.448 -0.816 -1.172 150 H CYS 23 H CYS 23 -0.960 0.360 0.173 151 HA CYS 23 HA CYS 23 -1.978 2.737 -1.246 152 HB2 CYS 23 2HB CYS 23 -3.686 0.977 0.497 153 HB3 CYS 23 1HB CYS 23 -4.108 2.133 -0.782 154 H CYS 24 H CYS 24 -3.363 4.229 -0.027 155 HA CYS 24 HA CYS 24 -2.413 4.737 2.644 156 HB2 CYS 24 2HB CYS 24 -2.402 6.701 0.339 157 HB3 CYS 24 1HB CYS 24 -1.909 7.068 1.980 158 H ARG 25 H ARG 25 -3.873 6.419 3.606 159 HA ARG 25 HA ARG 25 -6.516 5.811 2.542 160 HB2 ARG 25 2HB ARG 25 -5.569 4.777 4.760 161 HB3 ARG 25 1HB ARG 25 -5.888 6.379 5.386 162 HG2 ARG 25 2HG ARG 25 -8.040 5.122 3.914 163 HG3 ARG 25 1HG ARG 25 -7.639 4.407 5.491 164 HD2 ARG 25 2HD ARG 25 -8.323 7.311 4.885 165 HD3 ARG 25 1HD ARG 25 -9.407 6.153 5.662 166 HE ARG 25 HE ARG 25 -7.279 6.098 7.279 167 HH11 ARG 25 1HH1 ARG 25 -8.982 8.895 5.929 168 HH12 ARG 25 2HH1 ARG 25 -8.831 9.858 7.326 169 HH21 ARG 25 1HH2 ARG 25 -6.979 7.383 9.136 170 HH22 ARG 25 2HH2 ARG 25 -7.604 8.956 9.266 171 H ASP 26 H ASP 26 -7.674 7.524 2.015 172 HA ASP 26 HA ASP 26 -6.393 10.071 2.406 173 HB2 ASP 26 2HB ASP 26 -7.456 10.803 0.476 174 HB3 ASP 26 1HB ASP 26 -7.241 9.086 0.123 175 H LEU 27 H LEU 27 -8.264 11.627 2.155 176 HA LEU 27 HA LEU 27 -9.058 12.314 4.679 177 HB2 LEU 27 2HB LEU 27 -10.432 13.212 2.201 178 HB3 LEU 27 1HB LEU 27 -10.252 14.098 3.696 179 HG LEU 27 HG LEU 27 -7.910 13.384 1.955 180 HD11 LEU 27 1HD1 LEU 27 -8.156 15.585 0.976 181 HD12 LEU 27 2HD1 LEU 27 -9.628 15.832 1.949 182 HD13 LEU 27 3HD1 LEU 27 -9.572 14.539 0.742 183 HD21 LEU 27 3HD2 LEU 27 -7.453 13.988 4.280 184 HD22 LEU 27 1HD2 LEU 27 -8.353 15.492 4.073 185 HD23 LEU 27 2HD2 LEU 27 -6.862 15.219 3.158 186 H SER 28 H SER 28 -10.931 11.197 1.972 187 HA SER 28 HA SER 28 -13.307 11.121 3.520 188 HB2 SER 28 2HB SER 28 -13.452 11.990 1.257 189 HB3 SER 28 1HB SER 28 -12.814 10.483 0.610 190 HG SER 28 HG SER 28 -14.833 9.704 1.929 191 H GLY 29 H GLY 29 -10.811 9.287 3.420 192 HA2 GLY 29 2HA GLY 29 -10.342 7.421 4.193 193 HA3 GLY 29 1HA GLY 29 -12.025 7.141 4.668 194 H ARG 30 H ARG 30 -10.357 7.326 1.475 195 HA ARG 30 HA ARG 30 -11.259 4.580 0.996 196 HB2 ARG 30 2HB ARG 30 -10.558 6.754 -1.006 197 HB3 ARG 30 1HB ARG 30 -10.823 5.081 -1.439 198 HG2 ARG 30 2HG ARG 30 -12.780 6.260 -2.019 199 HG3 ARG 30 1HG ARG 30 -13.175 5.356 -0.562 200 HD2 ARG 30 2HD ARG 30 -14.049 7.677 -0.564 201 HD3 ARG 30 1HD ARG 30 -12.961 7.337 0.781 202 HE ARG 30 HE ARG 30 -11.291 8.614 -0.223 203 HH11 ARG 30 1HH1 ARG 30 -14.285 8.776 -2.097 204 HH12 ARG 30 2HH1 ARG 30 -13.951 10.287 -2.814 205 HH21 ARG 30 1HH2 ARG 30 -10.851 10.661 -1.075 206 HH22 ARG 30 2HH2 ARG 30 -11.856 11.429 -2.229 207 H CYS 31 H CYS 31 -9.695 3.480 -0.558 208 HA CYS 31 HA CYS 31 -7.016 3.959 0.426 209 HB2 CYS 31 2HB CYS 31 -8.378 1.516 -0.604 210 HB3 CYS 31 1HB CYS 31 -6.624 1.649 -0.714 211 H VAL 32 H VAL 32 -5.732 5.005 -0.729 212 HA VAL 32 HA VAL 32 -6.026 4.835 -3.516 213 HB VAL 32 HB VAL 32 -4.625 7.087 -3.455 214 HG11 VAL 32 1HG1 VAL 32 -6.774 6.775 -4.422 215 HG12 VAL 32 2HG1 VAL 32 -6.749 8.312 -3.532 216 HG13 VAL 32 3HG1 VAL 32 -7.575 6.897 -2.851 217 HG21 VAL 32 3HG2 VAL 32 -4.499 6.863 -0.911 218 HG22 VAL 32 1HG2 VAL 32 -6.177 7.379 -0.861 219 HG23 VAL 32 2HG2 VAL 32 -4.955 8.461 -1.530 220 HA PRO 33 HA PRO 33 -1.999 2.965 -3.469 221 HB2 PRO 33 2HB PRO 33 -1.178 3.712 -5.995 222 HB3 PRO 33 1HB PRO 33 -2.300 2.369 -5.700 223 HG2 PRO 33 2HG PRO 33 -2.909 5.154 -6.546 224 HG3 PRO 33 1HG PRO 33 -3.640 3.626 -7.078 225 HD2 PRO 33 2HD PRO 33 -4.897 5.226 -5.294 226 HD3 PRO 33 1HD PRO 33 -4.992 3.456 -5.221 227 H TYR 34 H TYR 34 -0.171 3.767 -2.454 228 HA TYR 34 HA TYR 34 0.302 6.448 -2.109 229 HB2 TYR 34 2HB TYR 34 1.326 5.264 -0.555 230 HB3 TYR 34 1HB TYR 34 1.878 3.988 -1.642 231 HD1 TYR 34 1HD TYR 34 2.757 7.503 -0.262 232 HD2 TYR 34 2HD TYR 34 4.066 4.164 -2.656 233 HE1 TYR 34 1HE TYR 34 4.792 8.264 -0.166 234 HE2 TYR 34 2HE TYR 34 6.265 5.062 -2.554 235 HH TYR 34 HH TYR 34 7.098 7.681 -2.173 236 H VAL 35 H VAL 35 1.337 8.001 -3.018 237 HA VAL 35 HA VAL 35 3.584 7.495 -4.526 238 HB VAL 35 HB VAL 35 2.254 9.785 -5.409 239 HG11 VAL 35 1HG1 VAL 35 3.253 7.479 -7.008 240 HG12 VAL 35 2HG1 VAL 35 4.106 8.923 -6.454 241 HG13 VAL 35 3HG1 VAL 35 2.827 9.077 -7.664 242 HG21 VAL 35 3HG2 VAL 35 0.189 8.547 -5.087 243 HG22 VAL 35 1HG2 VAL 35 0.694 7.334 -6.246 244 HG23 VAL 35 2HG2 VAL 35 0.377 8.996 -6.798 245 H ASP 36 H ASP 36 4.847 9.191 -3.907 246 HA ASP 36 HA ASP 36 3.754 11.354 -2.150 247 HB2 ASP 36 2HB ASP 36 5.694 11.097 -0.968 248 HB3 ASP 36 1HB ASP 36 5.212 9.429 -1.362 249 H ALA 37 H ALA 37 5.592 12.678 -2.006 250 HA ALA 37 HA ALA 37 4.534 14.191 -3.876 251 HB1 ALA 37 1HB ALA 37 5.100 14.677 -1.755 252 HB2 ALA 37 2HB ALA 37 5.768 15.963 -2.833 253 HB3 ALA 37 3HB ALA 37 6.829 14.699 -2.095 254 H GLU 38 H GLU 38 7.473 12.296 -3.748 255 HA GLU 38 HA GLU 38 8.777 13.508 -5.828 256 HB2 GLU 38 2HB GLU 38 9.044 11.087 -4.241 257 HB3 GLU 38 1HB GLU 38 10.161 11.323 -5.598 258 HG2 GLU 38 2HG GLU 38 10.840 13.475 -4.440 259 HG3 GLU 38 1HG GLU 38 9.852 12.965 -3.069 260 H GLN 39 H GLN 39 5.934 11.519 -5.691 261 HA GLN 39 HA GLN 39 4.808 10.480 -6.973 262 HB2 GLN 39 2HB GLN 39 6.834 11.522 -8.700 263 HB3 GLN 39 1HB GLN 39 5.554 10.518 -9.480 264 HG2 GLN 39 2HG GLN 39 3.924 12.139 -8.546 265 HG3 GLN 39 1HG GLN 39 5.261 13.029 -7.818 266 HE21 GLN 39 1HE2 GLN 39 6.579 14.253 -9.137 267 HE22 GLN 39 2HE2 GLN 39 6.130 14.687 -10.758 268 H LYS 40 H LYS 40 6.932 9.169 -5.434 269 HA LYS 40 HA LYS 40 7.783 6.963 -7.062 270 HB2 LYS 40 2HB LYS 40 7.815 7.379 -4.126 271 HB3 LYS 40 1HB LYS 40 8.716 6.128 -5.026 272 HG2 LYS 40 2HG LYS 40 9.845 7.984 -6.145 273 HG3 LYS 40 1HG LYS 40 9.033 9.074 -4.985 274 HD2 LYS 40 2HD LYS 40 11.007 6.848 -4.282 275 HD3 LYS 40 1HD LYS 40 11.379 8.564 -4.236 276 HE2 LYS 40 2HE LYS 40 9.280 7.216 -2.511 277 HE3 LYS 40 1HE LYS 40 10.927 7.536 -1.999 278 HZ1 LYS 40 3HZ LYS 40 8.885 9.616 -2.695 279 HZ2 LYS 40 1HZ LYS 40 10.478 9.940 -2.277 280 HZ3 LYS 40 2HZ LYS 40 9.435 9.242 -1.180 281 H ASN 41 H ASN 41 6.929 5.027 -6.859 282 HA ASN 41 HA ASN 41 4.436 4.857 -5.363 283 HB2 ASN 41 2HB ASN 41 4.304 4.849 -7.891 284 HB3 ASN 41 1HB ASN 41 5.294 3.392 -7.764 285 HD21 ASN 41 1HD2 ASN 41 2.117 4.668 -6.831 286 HD22 ASN 41 2HD2 ASN 41 1.316 3.143 -6.858 287 H LEU 42 H LEU 42 4.080 2.260 -5.241 288 HA LEU 42 HA LEU 42 6.468 0.841 -4.483 289 HB2 LEU 42 2HB LEU 42 4.629 1.956 -2.437 290 HB3 LEU 42 1HB LEU 42 5.542 0.494 -2.161 291 HG LEU 42 HG LEU 42 6.839 3.102 -2.850 292 HD11 LEU 42 1HD1 LEU 42 5.658 3.581 -1.031 293 HD12 LEU 42 2HD1 LEU 42 7.197 3.071 -0.270 294 HD13 LEU 42 3HD1 LEU 42 5.764 1.985 -0.321 295 HD21 LEU 42 3HD2 LEU 42 7.822 0.588 -1.486 296 HD22 LEU 42 1HD2 LEU 42 8.773 2.045 -1.775 297 HD23 LEU 42 2HD2 LEU 42 8.206 1.079 -3.137 298 H PHE 43 H PHE 43 6.048 -1.151 -5.057 299 HA PHE 43 HA PHE 43 3.457 -2.173 -4.830 300 HB2 PHE 43 2HB PHE 43 5.222 -2.359 -6.751 301 HB3 PHE 43 1HB PHE 43 5.901 -3.625 -5.754 302 HD1 PHE 43 1HD PHE 43 4.131 -5.438 -4.936 303 HD2 PHE 43 2HD PHE 43 3.686 -2.948 -8.348 304 HE1 PHE 43 1HE PHE 43 2.543 -7.040 -5.896 305 HE2 PHE 43 2HE PHE 43 2.090 -4.543 -9.316 306 HZ PHE 43 HZ PHE 43 1.515 -6.594 -8.088 307 H LEU 44 H LEU 44 3.073 -3.454 -2.873 308 HA LEU 44 HA LEU 44 4.831 -3.392 -0.975 309 HB2 LEU 44 2HB LEU 44 2.358 -4.989 -1.326 310 HB3 LEU 44 1HB LEU 44 3.388 -5.426 0.021 311 HG LEU 44 HG LEU 44 2.260 -2.651 -0.408 312 HD11 LEU 44 1HD1 LEU 44 1.346 -4.873 1.421 313 HD12 LEU 44 2HD1 LEU 44 0.473 -4.272 0.009 314 HD13 LEU 44 3HD1 LEU 44 0.719 -3.226 1.404 315 HD21 LEU 44 3HD2 LEU 44 4.320 -2.703 0.919 316 HD22 LEU 44 1HD2 LEU 44 3.626 -3.955 1.950 317 HD23 LEU 44 2HD2 LEU 44 2.928 -2.340 1.933 318 H ARG 45 H ARG 45 6.055 -5.461 0.055 319 HA ARG 45 HA ARG 45 6.841 -7.265 -2.005 320 HB2 ARG 45 2HB ARG 45 8.046 -6.023 0.219 321 HB3 ARG 45 1HB ARG 45 8.319 -7.772 0.295 322 HG2 ARG 45 2HG ARG 45 10.205 -6.662 -0.854 323 HG3 ARG 45 1HG ARG 45 9.344 -7.736 -1.940 324 HD2 ARG 45 2HD ARG 45 9.033 -4.715 -1.854 325 HD3 ARG 45 1HD ARG 45 10.037 -5.588 -3.003 326 HE ARG 45 HE ARG 45 7.096 -5.667 -2.861 327 HH11 ARG 45 1HH1 ARG 45 10.026 -6.063 -4.824 328 HH12 ARG 45 2HH1 ARG 45 9.170 -6.381 -6.259 329 HH21 ARG 45 1HH2 ARG 45 5.962 -6.112 -4.729 330 HH22 ARG 45 2HH2 ARG 45 6.712 -6.438 -6.215 331 H LYS 46 H LYS 46 7.419 -9.565 -1.070 332 HA LYS 46 HA LYS 46 4.813 -10.538 -0.437 333 HB2 LYS 46 2HB LYS 46 5.605 -12.763 -0.882 334 HB3 LYS 46 1HB LYS 46 6.117 -11.673 -2.156 335 HG2 LYS 46 2HG LYS 46 8.365 -11.628 -1.190 336 HG3 LYS 46 1HG LYS 46 7.834 -12.726 0.078 337 HD2 LYS 46 2HD LYS 46 7.778 -13.374 -2.882 338 HD3 LYS 46 1HD LYS 46 9.080 -13.835 -1.800 339 HE2 LYS 46 2HE LYS 46 7.688 -15.768 -2.079 340 HE3 LYS 46 1HE LYS 46 7.373 -15.150 -0.467 341 HZ1 LYS 46 3HZ LYS 46 5.353 -15.859 -1.765 342 HZ2 LYS 46 1HZ LYS 46 5.581 -14.574 -2.802 343 HZ3 LYS 46 2HZ LYS 46 5.200 -14.409 -1.144 344 H GLY 47 H GLY 47 4.257 -12.092 1.042 345 HA2 GLY 47 2HA GLY 47 4.084 -13.077 3.056 346 HA3 GLY 47 1HA GLY 47 5.824 -12.827 3.325 347 H LYS 48 H LYS 48 3.396 -10.418 2.586 348 HA LYS 48 HA LYS 48 3.579 -9.362 5.312 349 HB2 LYS 48 2HB LYS 48 3.263 -8.217 2.623 350 HB3 LYS 48 1HB LYS 48 3.120 -7.164 4.068 351 HG2 LYS 48 2HG LYS 48 5.540 -8.688 3.031 352 HG3 LYS 48 1HG LYS 48 5.336 -6.939 3.025 353 HD2 LYS 48 2HD LYS 48 5.661 -6.770 5.322 354 HD3 LYS 48 1HD LYS 48 5.254 -8.457 5.619 355 HE2 LYS 48 2HE LYS 48 7.728 -7.488 4.192 356 HE3 LYS 48 1HE LYS 48 7.660 -8.010 5.876 357 HZ1 LYS 48 3HZ LYS 48 6.826 -10.205 5.019 358 HZ2 LYS 48 1HZ LYS 48 8.419 -9.861 4.554 359 HZ3 LYS 48 2HZ LYS 48 7.151 -9.699 3.464 360 HA PRO 49 HA PRO 49 -0.793 -10.148 5.336 361 HB2 PRO 49 2HB PRO 49 -1.380 -7.540 6.568 362 HB3 PRO 49 1HB PRO 49 -1.558 -9.164 7.263 363 HG2 PRO 49 2HG PRO 49 0.326 -7.504 8.136 364 HG3 PRO 49 1HG PRO 49 0.593 -9.255 8.024 365 HD2 PRO 49 2HD PRO 49 1.514 -7.099 6.171 366 HD3 PRO 49 1HD PRO 49 2.393 -8.516 6.785 367 H CYS 50 H CYS 50 -2.237 -10.022 3.696 368 HA CYS 50 HA CYS 50 -2.738 -7.427 2.564 369 HB2 CYS 50 2HB CYS 50 -2.963 -8.362 0.334 370 HB3 CYS 50 1HB CYS 50 -1.450 -8.966 0.985 371 H THR 51 H THR 51 -4.946 -8.435 0.964 372 HA THR 51 HA THR 51 -7.087 -8.295 2.737 373 HB THR 51 HB THR 51 -8.304 -9.332 0.690 374 HG1 THR 51 1HG THR 51 -5.938 -8.608 -0.658 375 HG21 THR 51 3HG2 THR 51 -8.244 -6.941 1.240 376 HG22 THR 51 1HG2 THR 51 -8.103 -7.229 -0.510 377 HG23 THR 51 2HG2 THR 51 -6.658 -6.869 0.439 378 H VAL 52 H VAL 52 -6.273 -10.955 0.742 379 HA VAL 52 HA VAL 52 -7.895 -12.763 2.293 380 HB VAL 52 HB VAL 52 -7.469 -14.433 0.540 381 HG11 VAL 52 1HG1 VAL 52 -9.326 -12.904 0.298 382 HG12 VAL 52 2HG1 VAL 52 -8.583 -13.144 -1.290 383 HG13 VAL 52 3HG1 VAL 52 -8.262 -11.670 -0.369 384 HG21 VAL 52 3HG2 VAL 52 -5.143 -13.606 0.011 385 HG22 VAL 52 1HG2 VAL 52 -5.878 -12.282 -0.893 386 HG23 VAL 52 2HG2 VAL 52 -6.143 -13.946 -1.399 387 H GLY 53 H GLY 53 -4.568 -12.073 2.400 388 HA2 GLY 53 2HA GLY 53 -4.068 -13.767 4.446 389 HA3 GLY 53 1HA GLY 53 -3.603 -14.628 2.967 390 H PHE 54 H PHE 54 -1.566 -14.380 2.401 391 HA PHE 54 HA PHE 54 -0.204 -11.971 3.353 392 HB2 PHE 54 2HB PHE 54 1.000 -14.611 2.461 393 HB3 PHE 54 1HB PHE 54 1.943 -13.179 2.862 394 HD1 PHE 54 1HD PHE 54 1.970 -12.332 5.166 395 HD2 PHE 54 2HD PHE 54 0.090 -16.011 4.148 396 HE1 PHE 54 1HE PHE 54 1.998 -12.991 7.532 397 HE2 PHE 54 2HE PHE 54 0.110 -16.680 6.516 398 HZ PHE 54 HZ PHE 54 1.066 -15.169 8.212 399 H CYS 55 H CYS 55 1.100 -10.914 2.005 400 HA CYS 55 HA CYS 55 0.038 -10.611 -0.675 401 HB2 CYS 55 2HB CYS 55 0.452 -8.670 0.818 402 HB3 CYS 55 1HB CYS 55 2.135 -9.184 0.871 403 H ASP 56 H ASP 56 1.229 -11.085 -2.528 404 HA ASP 56 HA ASP 56 3.962 -11.827 -2.041 405 HB2 ASP 56 2HB ASP 56 2.856 -13.750 -2.987 406 HB3 ASP 56 1HB ASP 56 2.104 -12.768 -4.251 407 H MET 57 H MET 57 5.391 -11.284 -3.844 408 HA MET 57 HA MET 57 5.399 -8.484 -4.257 409 HB2 MET 57 2HB MET 57 7.455 -8.874 -5.460 410 HB3 MET 57 1HB MET 57 7.400 -9.691 -3.884 411 HG2 MET 57 2HG MET 57 6.922 -11.801 -5.051 412 HG3 MET 57 1HG MET 57 7.042 -10.957 -6.595 413 HE1 MET 57 3HE MET 57 8.727 -13.559 -5.904 414 HE2 MET 57 1HE MET 57 10.313 -13.108 -6.531 415 HE3 MET 57 2HE MET 57 8.857 -12.696 -7.438 416 H ASN 58 H ASN 58 4.243 -11.058 -6.163 417 HA ASN 58 HA ASN 58 4.213 -9.508 -8.636 418 HB2 ASN 58 2HB ASN 58 4.587 -11.995 -8.641 419 HB3 ASN 58 1HB ASN 58 2.936 -12.209 -8.084 420 HD21 ASN 58 1HD2 ASN 58 4.971 -11.399 -10.765 421 HD22 ASN 58 2HD2 ASN 58 3.748 -11.483 -11.985 422 H GLY 59 H GLY 59 2.318 -9.506 -5.892 423 HA2 GLY 59 2HA GLY 59 0.490 -7.974 -5.741 424 HA3 GLY 59 1HA GLY 59 0.085 -8.335 -7.413 425 H LYS 60 H LYS 60 0.845 -11.135 -6.224 426 HA LYS 60 HA LYS 60 -1.954 -12.009 -5.773 427 HB2 LYS 60 2HB LYS 60 0.657 -13.404 -6.250 428 HB3 LYS 60 1HB LYS 60 -0.711 -14.245 -5.570 429 HG2 LYS 60 2HG LYS 60 -0.543 -14.741 -7.954 430 HG3 LYS 60 1HG LYS 60 -2.004 -13.826 -7.617 431 HD2 LYS 60 2HD LYS 60 0.491 -12.428 -8.568 432 HD3 LYS 60 1HD LYS 60 -0.565 -13.242 -9.717 433 HE2 LYS 60 2HE LYS 60 -2.410 -11.836 -9.106 434 HE3 LYS 60 1HE LYS 60 -1.501 -11.149 -7.766 435 HZ1 LYS 60 3HZ LYS 60 -1.606 -9.654 -9.530 436 HZ2 LYS 60 1HZ LYS 60 -0.918 -10.719 -10.666 437 HZ3 LYS 60 2HZ LYS 60 0.003 -10.123 -9.371 438 H CYS 61 H CYS 61 -2.271 -13.563 -4.218 439 HA CYS 61 HA CYS 61 -0.920 -12.744 -1.830 440 HB2 CYS 61 2HB CYS 61 -3.664 -12.667 -2.644 441 HB3 CYS 61 1HB CYS 61 -3.433 -13.169 -0.931 442 H GLU 62 H GLU 62 -0.837 -14.273 -0.292 443 HA GLU 62 HA GLU 62 -0.876 -16.985 -1.270 444 HB2 GLU 62 2HB GLU 62 0.905 -15.721 0.850 445 HB3 GLU 62 1HB GLU 62 1.078 -17.330 0.165 446 HG2 GLU 62 2HG GLU 62 1.654 -16.375 -2.002 447 HG3 GLU 62 1HG GLU 62 1.391 -14.756 -1.379 Start of MODEL 15 1 H PHE 1 1HT PHE 1 6.459 4.640 5.340 2 HA PHE 1 HA PHE 1 6.676 3.672 3.317 3 HB2 PHE 1 2HB PHE 1 4.837 2.119 2.507 4 HB3 PHE 1 1HB PHE 1 6.112 1.394 3.495 5 HD1 PHE 1 1HD PHE 1 2.583 2.303 3.210 6 HD2 PHE 1 2HD PHE 1 5.532 0.536 5.712 7 HE1 PHE 1 1HE PHE 1 0.819 1.306 4.565 8 HE2 PHE 1 2HE PHE 1 3.761 -0.457 7.099 9 HZ PHE 1 HZ PHE 1 1.396 -0.077 6.527 10 H CYS 2 H CYS 2 3.690 4.501 4.884 11 HA CYS 2 HA CYS 2 3.684 6.654 2.951 12 HB2 CYS 2 2HB CYS 2 1.875 5.068 2.418 13 HB3 CYS 2 1HB CYS 2 1.207 5.305 4.029 14 H GLU 3 H GLU 3 3.361 5.622 6.214 15 HA GLU 3 HA GLU 3 1.886 7.627 7.468 16 HB2 GLU 3 2HB GLU 3 4.098 6.443 9.057 17 HB3 GLU 3 1HB GLU 3 2.417 6.644 9.448 18 HG2 GLU 3 2HG GLU 3 2.882 4.320 9.413 19 HG3 GLU 3 1HG GLU 3 1.904 4.695 7.985 20 H ARG 4 H ARG 4 5.401 7.448 7.136 21 HA ARG 4 HA ARG 4 5.606 9.862 8.605 22 HB2 ARG 4 2HB ARG 4 7.755 8.231 7.292 23 HB3 ARG 4 1HB ARG 4 8.081 9.614 8.326 24 HG2 ARG 4 2HG ARG 4 8.537 7.761 9.670 25 HG3 ARG 4 1HG ARG 4 6.894 8.182 10.144 26 HD2 ARG 4 2HD ARG 4 7.298 5.721 9.778 27 HD3 ARG 4 1HD ARG 4 5.983 6.409 8.829 28 HE ARG 4 HE ARG 4 7.350 6.396 6.914 29 HH11 ARG 4 1HH1 ARG 4 8.604 4.459 9.573 30 HH12 ARG 4 2HH1 ARG 4 9.702 3.557 8.635 31 HH21 ARG 4 1HH2 ARG 4 8.777 5.216 5.581 32 HH22 ARG 4 2HH2 ARG 4 9.830 4.028 6.214 33 H GLU 5 H GLU 5 6.339 8.545 5.451 34 HA GLU 5 HA GLU 5 7.534 10.713 4.331 35 HB2 GLU 5 2HB GLU 5 6.834 9.341 2.252 36 HB3 GLU 5 1HB GLU 5 8.183 8.864 3.358 37 HG2 GLU 5 2HG GLU 5 5.384 7.735 3.443 38 HG3 GLU 5 1HG GLU 5 6.629 7.026 2.430 39 H GLN 6 H GLN 6 4.174 9.682 4.061 40 HA GLN 6 HA GLN 6 3.636 12.061 2.347 41 HB2 GLN 6 2HB GLN 6 1.868 9.697 2.963 42 HB3 GLN 6 1HB GLN 6 1.459 11.047 1.929 43 HG2 GLN 6 2HG GLN 6 3.631 9.046 1.406 44 HG3 GLN 6 1HG GLN 6 1.959 9.063 0.780 45 HE21 GLN 6 1HE2 GLN 6 1.421 10.377 -0.856 46 HE22 GLN 6 2HE2 GLN 6 2.550 11.335 -1.742 47 H GLN 7 H GLN 7 3.410 10.718 5.390 48 HA GLN 7 HA GLN 7 2.595 11.052 7.143 49 HB2 GLN 7 2HB GLN 7 1.782 13.781 6.158 50 HB3 GLN 7 1HB GLN 7 1.688 13.311 7.856 51 HG2 GLN 7 2HG GLN 7 4.056 12.817 7.854 52 HG3 GLN 7 1HG GLN 7 4.148 13.278 6.163 53 HE21 GLN 7 1HE2 GLN 7 3.774 14.388 9.413 54 HE22 GLN 7 2HE2 GLN 7 4.051 16.076 9.095 55 H LEU 8 H LEU 8 1.076 10.000 5.032 56 HA LEU 8 HA LEU 8 -1.746 10.302 5.789 57 HB2 LEU 8 2HB LEU 8 -0.388 8.773 3.594 58 HB3 LEU 8 1HB LEU 8 -2.106 8.734 3.939 59 HG LEU 8 HG LEU 8 -0.742 11.255 3.467 60 HD11 LEU 8 1HD1 LEU 8 -1.355 10.986 0.975 61 HD12 LEU 8 2HD1 LEU 8 -1.853 9.331 1.343 62 HD13 LEU 8 3HD1 LEU 8 -0.160 9.785 1.480 63 HD21 LEU 8 3HD2 LEU 8 -3.556 10.301 2.986 64 HD22 LEU 8 1HD2 LEU 8 -2.974 11.916 2.579 65 HD23 LEU 8 2HD2 LEU 8 -2.991 11.384 4.260 66 H GLU 9 H GLU 9 -2.771 8.735 6.393 67 HA GLU 9 HA GLU 9 -1.377 6.807 8.075 68 HB2 GLU 9 2HB GLU 9 -3.764 7.932 8.465 69 HB3 GLU 9 1HB GLU 9 -4.244 6.557 7.460 70 HG2 GLU 9 2HG GLU 9 -3.403 4.993 9.068 71 HG3 GLU 9 1HG GLU 9 -2.803 6.308 10.085 72 H SER 10 H SER 10 -1.353 4.568 7.673 73 HA SER 10 HA SER 10 -1.239 3.863 4.977 74 HB2 SER 10 2HB SER 10 -0.465 1.838 6.006 75 HB3 SER 10 1HB SER 10 0.247 3.380 6.641 76 HG SER 10 HG SER 10 -1.965 2.432 7.991 77 H CYS 11 H CYS 11 -2.418 2.047 4.052 78 HA CYS 11 HA CYS 11 -4.413 0.691 5.486 79 HB2 CYS 11 2HB CYS 11 -5.714 2.878 4.891 80 HB3 CYS 11 1HB CYS 11 -5.430 2.433 3.204 81 H ALA 12 H ALA 12 -5.695 -0.549 3.560 82 HA ALA 12 HA ALA 12 -3.716 -1.283 1.549 83 HB1 ALA 12 1HB ALA 12 -4.362 -3.647 1.886 84 HB2 ALA 12 2HB ALA 12 -5.365 -3.149 3.254 85 HB3 ALA 12 3HB ALA 12 -3.614 -2.958 3.331 86 H CYS 13 H CYS 13 -4.624 -1.330 -0.427 87 HA CYS 13 HA CYS 13 -7.292 -0.535 -0.846 88 HB2 CYS 13 2HB CYS 13 -5.281 -1.824 -2.690 89 HB3 CYS 13 1HB CYS 13 -6.717 -0.931 -3.172 90 H ASN 14 H ASN 14 -9.034 -1.532 -1.387 91 HA ASN 14 HA ASN 14 -9.380 -3.958 0.020 92 HB2 ASN 14 2HB ASN 14 -11.321 -2.349 -1.624 93 HB3 ASN 14 1HB ASN 14 -11.768 -3.722 -0.621 94 HD21 ASN 14 1HD2 ASN 14 -9.797 -2.871 1.492 95 HD22 ASN 14 2HD2 ASN 14 -10.571 -1.538 2.271 96 H GLU 15 H GLU 15 -8.950 -3.044 -3.239 97 HA GLU 15 HA GLU 15 -10.015 -5.220 -4.470 98 HB2 GLU 15 2HB GLU 15 -7.505 -3.832 -5.321 99 HB3 GLU 15 1HB GLU 15 -8.638 -4.660 -6.384 100 HG2 GLU 15 2HG GLU 15 -9.019 -2.461 -6.808 101 HG3 GLU 15 1HG GLU 15 -10.263 -2.777 -5.582 102 H THR 16 H THR 16 -9.214 -7.371 -4.366 103 HA THR 16 HA THR 16 -7.399 -8.377 -2.681 104 HB THR 16 HB THR 16 -7.977 -9.381 -5.454 105 HG1 THR 16 1HG THR 16 -9.151 -9.891 -2.913 106 HG21 THR 16 3HG2 THR 16 -6.853 -10.922 -3.077 107 HG22 THR 16 1HG2 THR 16 -5.926 -10.357 -4.480 108 HG23 THR 16 2HG2 THR 16 -7.206 -11.566 -4.681 109 H ASP 17 H ASP 17 -6.636 -7.348 -5.957 110 HA ASP 17 HA ASP 17 -4.027 -8.340 -5.709 111 HB2 ASP 17 2HB ASP 17 -5.337 -8.171 -7.838 112 HB3 ASP 17 1HB ASP 17 -5.018 -6.427 -7.721 113 H ASN 18 H ASN 18 -5.655 -5.172 -5.333 114 HA ASN 18 HA ASN 18 -3.170 -3.818 -5.394 115 HB2 ASN 18 2HB ASN 18 -5.926 -2.697 -4.911 116 HB3 ASN 18 1HB ASN 18 -4.466 -1.741 -4.827 117 HD21 ASN 18 1HD2 ASN 18 -6.629 -1.366 -6.588 118 HD22 ASN 18 2HD2 ASN 18 -6.048 -1.525 -8.210 119 H SER 19 H SER 19 -4.736 -5.550 -3.166 120 HA SER 19 HA SER 19 -4.157 -4.168 -0.781 121 HB2 SER 19 2HB SER 19 -3.982 -7.135 -1.218 122 HB3 SER 19 1HB SER 19 -4.453 -6.299 0.268 123 HG SER 19 HG SER 19 -6.141 -5.381 -1.262 124 H CYS 20 H CYS 20 -2.155 -5.578 -3.137 125 HA CYS 20 HA CYS 20 0.115 -5.777 -1.364 126 HB2 CYS 20 2HB CYS 20 -0.493 -6.828 -4.050 127 HB3 CYS 20 1HB CYS 20 1.196 -6.570 -3.595 128 H LYS 21 H LYS 21 -1.142 -3.161 -2.508 129 HA LYS 21 HA LYS 21 1.520 -1.990 -3.020 130 HB2 LYS 21 2HB LYS 21 -1.188 -1.186 -3.953 131 HB3 LYS 21 1HB LYS 21 0.245 -0.162 -4.114 132 HG2 LYS 21 2HG LYS 21 0.016 -1.000 -6.271 133 HG3 LYS 21 1HG LYS 21 1.072 -2.225 -5.562 134 HD2 LYS 21 2HD LYS 21 -0.891 -3.612 -5.076 135 HD3 LYS 21 1HD LYS 21 -1.909 -2.364 -5.802 136 HE2 LYS 21 2HE LYS 21 -0.714 -2.697 -7.947 137 HE3 LYS 21 1HE LYS 21 0.184 -4.022 -7.194 138 HZ1 LYS 21 3HZ LYS 21 -1.979 -5.089 -6.724 139 HZ2 LYS 21 1HZ LYS 21 -1.769 -4.943 -8.377 140 HZ3 LYS 21 2HZ LYS 21 -2.747 -3.870 -7.575 141 H VAL 22 H VAL 22 1.904 -0.252 -2.402 142 HA VAL 22 HA VAL 22 1.228 -0.052 0.318 143 HB VAL 22 HB VAL 22 2.877 1.701 -1.492 144 HG11 VAL 22 1HG1 VAL 22 2.491 1.680 1.467 145 HG12 VAL 22 2HG1 VAL 22 1.980 2.906 0.302 146 HG13 VAL 22 3HG1 VAL 22 3.720 2.660 0.615 147 HG21 VAL 22 3HG2 VAL 22 3.675 -0.437 0.525 148 HG22 VAL 22 1HG2 VAL 22 4.759 0.496 -0.522 149 HG23 VAL 22 2HG2 VAL 22 3.573 -0.685 -1.187 150 H CYS 23 H CYS 23 -0.615 0.533 0.606 151 HA CYS 23 HA CYS 23 -1.731 2.840 -0.832 152 HB2 CYS 23 2HB CYS 23 -3.292 0.957 0.908 153 HB3 CYS 23 1HB CYS 23 -3.896 2.179 -0.214 154 H CYS 24 H CYS 24 -2.764 4.509 0.213 155 HA CYS 24 HA CYS 24 -2.015 4.950 2.995 156 HB2 CYS 24 2HB CYS 24 -2.539 6.888 0.731 157 HB3 CYS 24 1HB CYS 24 -2.016 7.314 2.352 158 H ARG 25 H ARG 25 -3.744 6.680 3.838 159 HA ARG 25 HA ARG 25 -6.347 5.908 2.789 160 HB2 ARG 25 2HB ARG 25 -5.470 4.934 5.027 161 HB3 ARG 25 1HB ARG 25 -5.718 6.557 5.630 162 HG2 ARG 25 2HG ARG 25 -7.909 5.157 4.246 163 HG3 ARG 25 1HG ARG 25 -7.582 4.738 5.939 164 HD2 ARG 25 2HD ARG 25 -8.534 7.310 4.663 165 HD3 ARG 25 1HD ARG 25 -9.323 6.374 5.929 166 HE ARG 25 HE ARG 25 -7.690 8.543 6.265 167 HH11 ARG 25 1HH1 ARG 25 -7.911 5.275 7.744 168 HH12 ARG 25 2HH1 ARG 25 -7.018 5.705 9.126 169 HH21 ARG 25 1HH2 ARG 25 -6.605 9.114 8.369 170 HH22 ARG 25 2HH2 ARG 25 -6.333 7.862 9.493 171 H ASP 26 H ASP 26 -7.628 7.646 2.386 172 HA ASP 26 HA ASP 26 -6.227 10.183 2.498 173 HB2 ASP 26 2HB ASP 26 -7.369 10.749 0.559 174 HB3 ASP 26 1HB ASP 26 -7.186 9.008 0.354 175 H LEU 27 H LEU 27 -8.149 11.746 2.215 176 HA LEU 27 HA LEU 27 -8.882 12.210 4.846 177 HB2 LEU 27 2HB LEU 27 -9.799 13.886 2.549 178 HB3 LEU 27 1HB LEU 27 -9.548 14.405 4.206 179 HG LEU 27 HG LEU 27 -7.057 13.605 3.545 180 HD11 LEU 27 1HD1 LEU 27 -7.649 13.029 1.269 181 HD12 LEU 27 2HD1 LEU 27 -6.490 14.356 1.313 182 HD13 LEU 27 3HD1 LEU 27 -8.191 14.681 0.983 183 HD21 LEU 27 3HD2 LEU 27 -6.531 15.985 3.183 184 HD22 LEU 27 1HD2 LEU 27 -7.627 15.759 4.546 185 HD23 LEU 27 2HD2 LEU 27 -8.250 16.328 2.997 186 H SER 28 H SER 28 -10.585 11.073 2.017 187 HA SER 28 HA SER 28 -13.124 11.611 3.112 188 HB2 SER 28 2HB SER 28 -12.838 11.686 0.676 189 HB3 SER 28 1HB SER 28 -12.304 10.007 0.667 190 HG SER 28 HG SER 28 -14.593 10.152 1.941 191 H GLY 29 H GLY 29 -10.709 9.343 3.490 192 HA2 GLY 29 2HA GLY 29 -10.631 7.737 4.854 193 HA3 GLY 29 1HA GLY 29 -12.399 7.672 5.047 194 H ARG 30 H ARG 30 -10.548 7.514 2.029 195 HA ARG 30 HA ARG 30 -11.431 4.763 1.576 196 HB2 ARG 30 2HB ARG 30 -10.639 7.038 -0.249 197 HB3 ARG 30 1HB ARG 30 -10.460 5.390 -0.791 198 HG2 ARG 30 2HG ARG 30 -12.469 6.379 -1.704 199 HG3 ARG 30 1HG ARG 30 -12.892 5.077 -0.610 200 HD2 ARG 30 2HD ARG 30 -12.910 7.965 0.243 201 HD3 ARG 30 1HD ARG 30 -14.294 7.217 -0.546 202 HE ARG 30 HE ARG 30 -13.242 5.861 1.777 203 HH11 ARG 30 1HH1 ARG 30 -15.575 8.229 0.637 204 HH12 ARG 30 2HH1 ARG 30 -16.668 8.038 1.930 205 HH21 ARG 30 1HH2 ARG 30 -14.642 5.589 3.577 206 HH22 ARG 30 2HH2 ARG 30 -16.099 6.466 3.709 207 H CYS 31 H CYS 31 -9.678 3.537 0.307 208 HA CYS 31 HA CYS 31 -7.086 4.212 1.444 209 HB2 CYS 31 2HB CYS 31 -8.173 1.476 0.716 210 HB3 CYS 31 1HB CYS 31 -6.610 1.807 1.467 211 H VAL 32 H VAL 32 -5.720 4.900 -0.016 212 HA VAL 32 HA VAL 32 -6.250 4.243 -2.712 213 HB VAL 32 HB VAL 32 -5.075 6.525 -3.196 214 HG11 VAL 32 1HG1 VAL 32 -7.302 5.974 -3.752 215 HG12 VAL 32 2HG1 VAL 32 -7.269 7.629 -3.105 216 HG13 VAL 32 3HG1 VAL 32 -7.880 6.290 -2.112 217 HG21 VAL 32 3HG2 VAL 32 -5.238 8.185 -1.503 218 HG22 VAL 32 1HG2 VAL 32 -4.481 6.784 -0.752 219 HG23 VAL 32 2HG2 VAL 32 -6.195 7.166 -0.445 220 HA PRO 33 HA PRO 33 -2.052 2.756 -2.892 221 HB2 PRO 33 2HB PRO 33 -1.510 3.352 -5.530 222 HB3 PRO 33 1HB PRO 33 -2.468 1.942 -5.028 223 HG2 PRO 33 2HG PRO 33 -3.414 4.581 -6.024 224 HG3 PRO 33 1HG PRO 33 -4.026 2.954 -6.385 225 HD2 PRO 33 2HD PRO 33 -5.311 4.544 -4.624 226 HD3 PRO 33 1HD PRO 33 -5.183 2.790 -4.393 227 H TYR 34 H TYR 34 -0.140 3.748 -2.222 228 HA TYR 34 HA TYR 34 0.131 6.539 -2.283 229 HB2 TYR 34 2HB TYR 34 1.374 5.800 -0.582 230 HB3 TYR 34 1HB TYR 34 1.778 4.266 -1.349 231 HD1 TYR 34 1HD TYR 34 2.976 7.927 -0.907 232 HD2 TYR 34 2HD TYR 34 3.810 4.108 -2.751 233 HE1 TYR 34 1HE TYR 34 5.009 8.570 -1.251 234 HE2 TYR 34 2HE TYR 34 6.025 4.886 -3.132 235 HH TYR 34 HH TYR 34 7.012 7.441 -3.410 236 H VAL 35 H VAL 35 1.172 7.898 -3.543 237 HA VAL 35 HA VAL 35 3.165 6.983 -5.222 238 HB VAL 35 HB VAL 35 1.700 9.141 -6.320 239 HG11 VAL 35 1HG1 VAL 35 2.523 6.577 -7.572 240 HG12 VAL 35 2HG1 VAL 35 3.382 8.120 -7.473 241 HG13 VAL 35 3HG1 VAL 35 1.919 7.997 -8.451 242 HG21 VAL 35 3HG2 VAL 35 -0.315 8.107 -7.258 243 HG22 VAL 35 1HG2 VAL 35 -0.281 8.029 -5.490 244 HG23 VAL 35 2HG2 VAL 35 0.091 6.584 -6.442 245 H ASP 36 H ASP 36 4.570 8.690 -5.094 246 HA ASP 36 HA ASP 36 3.783 11.145 -3.583 247 HB2 ASP 36 2HB ASP 36 5.914 11.062 -2.743 248 HB3 ASP 36 1HB ASP 36 5.365 9.370 -2.750 249 H ALA 37 H ALA 37 5.734 12.401 -4.066 250 HA ALA 37 HA ALA 37 4.196 13.657 -5.843 251 HB1 ALA 37 1HB ALA 37 6.797 14.439 -4.710 252 HB2 ALA 37 2HB ALA 37 5.207 14.407 -3.957 253 HB3 ALA 37 3HB ALA 37 5.519 15.580 -5.294 254 H GLU 38 H GLU 38 7.077 11.767 -6.050 255 HA GLU 38 HA GLU 38 7.967 12.659 -8.487 256 HB2 GLU 38 2HB GLU 38 8.523 10.474 -6.656 257 HB3 GLU 38 1HB GLU 38 9.358 10.499 -8.217 258 HG2 GLU 38 2HG GLU 38 10.322 12.698 -7.557 259 HG3 GLU 38 1HG GLU 38 9.500 12.557 -5.997 260 H GLN 39 H GLN 39 5.197 10.818 -7.563 261 HA GLN 39 HA GLN 39 3.856 9.582 -8.440 262 HB2 GLN 39 2HB GLN 39 5.487 10.398 -10.643 263 HB3 GLN 39 1HB GLN 39 4.150 9.257 -11.034 264 HG2 GLN 39 2HG GLN 39 4.021 11.930 -9.668 265 HG3 GLN 39 1HG GLN 39 3.569 11.690 -11.372 266 HE21 GLN 39 1HE2 GLN 39 2.273 9.106 -10.675 267 HE22 GLN 39 2HE2 GLN 39 0.793 9.543 -9.882 268 H LYS 40 H LYS 40 6.202 8.466 -7.153 269 HA LYS 40 HA LYS 40 6.728 6.034 -8.594 270 HB2 LYS 40 2HB LYS 40 7.427 6.879 -5.849 271 HB3 LYS 40 1HB LYS 40 8.119 5.500 -6.756 272 HG2 LYS 40 2HG LYS 40 8.875 7.193 -8.374 273 HG3 LYS 40 1HG LYS 40 8.364 8.418 -7.178 274 HD2 LYS 40 2HD LYS 40 10.515 6.290 -6.766 275 HD3 LYS 40 1HD LYS 40 10.830 8.002 -7.004 276 HE2 LYS 40 2HE LYS 40 9.299 6.830 -4.667 277 HE3 LYS 40 1HE LYS 40 10.999 7.265 -4.631 278 HZ1 LYS 40 3HZ LYS 40 8.719 9.170 -5.018 279 HZ2 LYS 40 1HZ LYS 40 10.344 9.608 -5.028 280 HZ3 LYS 40 2HZ LYS 40 9.644 9.003 -3.659 281 H ASN 41 H ASN 41 5.959 4.189 -7.965 282 HA ASN 41 HA ASN 41 3.810 4.243 -5.988 283 HB2 ASN 41 2HB ASN 41 3.335 3.690 -8.440 284 HB3 ASN 41 1HB ASN 41 4.326 2.270 -8.136 285 HD21 ASN 41 1HD2 ASN 41 1.984 3.554 -5.762 286 HD22 ASN 41 2HD2 ASN 41 0.944 2.187 -5.862 287 H LEU 42 H LEU 42 3.625 1.686 -5.306 288 HA LEU 42 HA LEU 42 6.188 0.420 -4.846 289 HB2 LEU 42 2HB LEU 42 4.600 1.655 -2.645 290 HB3 LEU 42 1HB LEU 42 5.725 0.348 -2.393 291 HG LEU 42 HG LEU 42 6.489 3.025 -3.488 292 HD11 LEU 42 1HD1 LEU 42 6.178 1.945 -0.714 293 HD12 LEU 42 2HD1 LEU 42 5.628 3.474 -1.444 294 HD13 LEU 42 3HD1 LEU 42 7.341 3.252 -1.064 295 HD21 LEU 42 3HD2 LEU 42 8.737 2.337 -2.784 296 HD22 LEU 42 1HD2 LEU 42 8.073 1.195 -3.952 297 HD23 LEU 42 2HD2 LEU 42 8.098 0.786 -2.236 298 H PHE 43 H PHE 43 5.938 -1.734 -4.293 299 HA PHE 43 HA PHE 43 3.316 -2.662 -4.002 300 HB2 PHE 43 2HB PHE 43 5.930 -3.829 -4.757 301 HB3 PHE 43 1HB PHE 43 4.519 -4.878 -4.493 302 HD1 PHE 43 2HD PHE 43 2.538 -4.534 -6.051 303 HD2 PHE 43 1HD PHE 43 6.340 -2.760 -6.767 304 HE1 PHE 43 2HE PHE 43 1.922 -4.164 -8.405 305 HE2 PHE 43 1HE PHE 43 5.728 -2.388 -9.119 306 HZ PHE 43 HZ PHE 43 3.515 -3.092 -9.938 307 H LEU 44 H LEU 44 2.943 -3.955 -2.062 308 HA LEU 44 HA LEU 44 4.543 -3.363 -0.030 309 HB2 LEU 44 2HB LEU 44 2.214 -5.224 -0.265 310 HB3 LEU 44 1HB LEU 44 3.126 -5.201 1.227 311 HG LEU 44 HG LEU 44 1.736 -2.791 0.030 312 HD11 LEU 44 1HD1 LEU 44 0.145 -3.087 1.859 313 HD12 LEU 44 2HD1 LEU 44 0.971 -4.569 2.344 314 HD13 LEU 44 3HD1 LEU 44 0.148 -4.485 0.786 315 HD21 LEU 44 3HD2 LEU 44 3.016 -3.212 2.732 316 HD22 LEU 44 1HD2 LEU 44 2.191 -1.757 2.188 317 HD23 LEU 44 2HD2 LEU 44 3.706 -2.251 1.431 318 H ARG 45 H ARG 45 5.743 -5.270 1.337 319 HA ARG 45 HA ARG 45 6.916 -6.932 -0.604 320 HB2 ARG 45 2HB ARG 45 7.555 -6.065 2.068 321 HB3 ARG 45 1HB ARG 45 8.576 -7.352 1.348 322 HG2 ARG 45 2HG ARG 45 8.754 -5.564 -0.596 323 HG3 ARG 45 1HG ARG 45 8.247 -4.434 0.659 324 HD2 ARG 45 2HD ARG 45 10.632 -4.409 0.571 325 HD3 ARG 45 1HD ARG 45 10.161 -5.257 2.046 326 HE ARG 45 HE ARG 45 10.544 -7.005 -0.184 327 HH11 ARG 45 1HH1 ARG 45 12.277 -5.332 2.410 328 HH12 ARG 45 2HH1 ARG 45 13.610 -6.385 2.418 329 HH21 ARG 45 1HH2 ARG 45 12.357 -8.459 -0.207 330 HH22 ARG 45 2HH2 ARG 45 13.659 -8.243 0.866 331 H LYS 46 H LYS 46 7.844 -9.044 0.506 332 HA LYS 46 HA LYS 46 5.743 -10.865 0.346 333 HB2 LYS 46 2HB LYS 46 8.081 -11.331 -0.315 334 HB3 LYS 46 1HB LYS 46 8.538 -11.339 1.378 335 HG2 LYS 46 2HG LYS 46 8.349 -13.606 0.565 336 HG3 LYS 46 1HG LYS 46 7.058 -13.294 1.729 337 HD2 LYS 46 2HD LYS 46 5.472 -12.962 -0.053 338 HD3 LYS 46 1HD LYS 46 6.742 -13.111 -1.265 339 HE2 LYS 46 2HE LYS 46 7.097 -15.454 -0.515 340 HE3 LYS 46 1HE LYS 46 5.739 -15.265 0.596 341 HZ1 LYS 46 3HZ LYS 46 5.564 -14.922 -2.351 342 HZ2 LYS 46 1HZ LYS 46 4.302 -14.816 -1.255 343 HZ3 LYS 46 2HZ LYS 46 4.950 -16.287 -1.476 344 H GLY 47 H GLY 47 4.467 -11.780 1.658 345 HA2 GLY 47 2HA GLY 47 3.741 -12.936 3.494 346 HA3 GLY 47 1HA GLY 47 5.266 -12.578 4.304 347 H LYS 48 H LYS 48 3.396 -10.041 2.876 348 HA LYS 48 HA LYS 48 2.710 -9.163 5.578 349 HB2 LYS 48 2HB LYS 48 2.800 -7.942 2.908 350 HB3 LYS 48 1HB LYS 48 2.172 -7.009 4.289 351 HG2 LYS 48 2HG LYS 48 5.009 -8.035 3.818 352 HG3 LYS 48 1HG LYS 48 4.487 -6.373 3.649 353 HD2 LYS 48 2HD LYS 48 5.634 -6.423 5.708 354 HD3 LYS 48 1HD LYS 48 3.941 -6.480 6.166 355 HE2 LYS 48 2HE LYS 48 5.379 -7.987 7.483 356 HE3 LYS 48 1HE LYS 48 4.135 -8.892 6.667 357 HZ1 LYS 48 3HZ LYS 48 5.893 -9.425 4.924 358 HZ2 LYS 48 1HZ LYS 48 6.164 -10.046 6.459 359 HZ3 LYS 48 2HZ LYS 48 7.020 -8.697 5.938 360 HA PRO 49 HA PRO 49 -1.351 -10.704 4.987 361 HB2 PRO 49 2HB PRO 49 -2.680 -9.073 6.762 362 HB3 PRO 49 1HB PRO 49 -1.733 -10.492 7.252 363 HG2 PRO 49 2HG PRO 49 -0.963 -7.628 7.299 364 HG3 PRO 49 1HG PRO 49 -0.620 -8.912 8.476 365 HD2 PRO 49 2HD PRO 49 1.231 -8.065 6.729 366 HD3 PRO 49 1HD PRO 49 1.137 -9.756 7.259 367 H CYS 50 H CYS 50 -2.509 -10.296 3.235 368 HA CYS 50 HA CYS 50 -3.381 -7.604 2.779 369 HB2 CYS 50 2HB CYS 50 -3.426 -8.298 0.331 370 HB3 CYS 50 1HB CYS 50 -1.838 -8.140 1.080 371 H THR 51 H THR 51 -5.215 -8.663 0.617 372 HA THR 51 HA THR 51 -7.504 -8.868 2.185 373 HB THR 51 HB THR 51 -8.380 -9.665 -0.170 374 HG1 THR 51 1HG THR 51 -6.298 -8.238 -1.205 375 HG21 THR 51 3HG2 THR 51 -8.655 -7.418 0.966 376 HG22 THR 51 1HG2 THR 51 -8.535 -7.396 -0.822 377 HG23 THR 51 2HG2 THR 51 -7.115 -7.019 0.124 378 H VAL 52 H VAL 52 -6.324 -11.125 -0.120 379 HA VAL 52 HA VAL 52 -7.927 -13.185 1.066 380 HB VAL 52 HB VAL 52 -7.404 -14.618 -0.803 381 HG11 VAL 52 1HG1 VAL 52 -8.037 -11.785 -1.602 382 HG12 VAL 52 2HG1 VAL 52 -9.191 -13.013 -1.075 383 HG13 VAL 52 3HG1 VAL 52 -8.333 -13.198 -2.609 384 HG21 VAL 52 3HG2 VAL 52 -5.984 -13.884 -2.665 385 HG22 VAL 52 1HG2 VAL 52 -5.042 -13.998 -1.180 386 HG23 VAL 52 2HG2 VAL 52 -5.566 -12.422 -1.790 387 H GLY 53 H GLY 53 -4.555 -12.484 1.152 388 HA2 GLY 53 2HA GLY 53 -4.229 -14.320 3.244 389 HA3 GLY 53 1HA GLY 53 -3.534 -14.912 1.728 390 H PHE 54 H PHE 54 -1.531 -14.418 1.359 391 HA PHE 54 HA PHE 54 -0.348 -12.203 2.895 392 HB2 PHE 54 2HB PHE 54 1.000 -14.737 1.939 393 HB3 PHE 54 1HB PHE 54 1.850 -13.371 2.659 394 HD1 PHE 54 1HD PHE 54 1.397 -12.750 5.017 395 HD2 PHE 54 2HD PHE 54 -0.134 -16.322 3.282 396 HE1 PHE 54 1HE PHE 54 0.985 -13.658 7.264 397 HE2 PHE 54 2HE PHE 54 -0.551 -17.236 5.527 398 HZ PHE 54 HZ PHE 54 0.009 -15.904 7.521 399 H CYS 55 H CYS 55 1.275 -11.013 1.902 400 HA CYS 55 HA CYS 55 0.672 -10.596 -0.916 401 HB2 CYS 55 2HB CYS 55 0.531 -8.780 0.790 402 HB3 CYS 55 1HB CYS 55 2.277 -8.983 0.989 403 H ASP 56 H ASP 56 2.180 -10.919 -2.503 404 HA ASP 56 HA ASP 56 4.851 -11.543 -1.544 405 HB2 ASP 56 2HB ASP 56 3.787 -13.310 -2.963 406 HB3 ASP 56 1HB ASP 56 3.652 -12.141 -4.275 407 H MET 57 H MET 57 6.618 -10.749 -3.075 408 HA MET 57 HA MET 57 6.401 -7.881 -3.154 409 HB2 MET 57 2HB MET 57 8.688 -9.677 -3.962 410 HB3 MET 57 1HB MET 57 8.777 -7.922 -3.917 411 HG2 MET 57 2HG MET 57 8.312 -7.970 -1.523 412 HG3 MET 57 1HG MET 57 8.239 -9.726 -1.572 413 HE1 MET 57 3HE MET 57 11.992 -10.595 -2.474 414 HE2 MET 57 1HE MET 57 10.706 -10.291 -3.642 415 HE3 MET 57 2HE MET 57 10.378 -11.246 -2.198 416 H ASN 58 H ASN 58 5.822 -10.322 -5.436 417 HA ASN 58 HA ASN 58 6.367 -8.625 -7.702 418 HB2 ASN 58 2HB ASN 58 5.661 -10.396 -9.120 419 HB3 ASN 58 1HB ASN 58 6.496 -11.150 -7.764 420 HD21 ASN 58 1HD2 ASN 58 5.247 -12.351 -6.257 421 HD22 ASN 58 2HD2 ASN 58 3.680 -12.928 -6.687 422 H GLY 59 H GLY 59 4.063 -8.691 -5.464 423 HA2 GLY 59 2HA GLY 59 2.480 -6.949 -5.274 424 HA3 GLY 59 1HA GLY 59 2.487 -6.792 -7.018 425 H LYS 60 H LYS 60 1.978 -9.764 -5.188 426 HA LYS 60 HA LYS 60 -0.894 -9.719 -5.786 427 HB2 LYS 60 2HB LYS 60 1.000 -11.863 -6.644 428 HB3 LYS 60 1HB LYS 60 -0.673 -12.235 -6.282 429 HG2 LYS 60 2HG LYS 60 -0.680 -11.955 -8.611 430 HG3 LYS 60 1HG LYS 60 -1.264 -10.416 -7.982 431 HD2 LYS 60 2HD LYS 60 1.156 -9.634 -8.125 432 HD3 LYS 60 1HD LYS 60 1.454 -11.075 -9.094 433 HE2 LYS 60 2HE LYS 60 1.063 -9.246 -10.576 434 HE3 LYS 60 1HE LYS 60 -0.353 -10.300 -10.635 435 HZ1 LYS 60 3HZ LYS 60 -1.525 -8.820 -9.172 436 HZ2 LYS 60 1HZ LYS 60 -0.943 -7.892 -10.433 437 HZ3 LYS 60 2HZ LYS 60 -0.208 -7.906 -8.892 438 H CYS 61 H CYS 61 -2.120 -11.136 -4.726 439 HA CYS 61 HA CYS 61 -1.142 -11.465 -2.002 440 HB2 CYS 61 2HB CYS 61 -2.938 -9.850 -2.684 441 HB3 CYS 61 1HB CYS 61 -3.884 -11.265 -3.118 442 H GLU 62 H GLU 62 -1.086 -13.423 -1.344 443 HA GLU 62 HA GLU 62 -1.969 -15.578 -3.036 444 HB2 GLU 62 2HB GLU 62 -0.011 -16.849 -2.214 445 HB3 GLU 62 1HB GLU 62 0.456 -15.278 -2.854 446 HG2 GLU 62 2HG GLU 62 0.427 -14.483 -0.410 447 HG3 GLU 62 1HG GLU 62 0.431 -16.189 0.002 Start of MODEL 16 1 H PHE 1 1HT PHE 1 4.578 2.840 6.128 2 HA PHE 1 HA PHE 1 6.024 3.062 3.567 3 HB2 PHE 1 2HB PHE 1 4.034 1.809 2.553 4 HB3 PHE 1 1HB PHE 1 5.246 0.862 3.409 5 HD1 PHE 1 1HD PHE 1 4.656 -0.132 5.596 6 HD2 PHE 1 2HD PHE 1 1.798 1.954 3.244 7 HE1 PHE 1 1HE PHE 1 2.841 -1.184 6.876 8 HE2 PHE 1 2HE PHE 1 -0.014 0.915 4.506 9 HZ PHE 1 HZ PHE 1 0.497 -0.661 6.334 10 H CYS 2 H CYS 2 2.983 3.885 5.169 11 HA CYS 2 HA CYS 2 2.882 6.133 3.343 12 HB2 CYS 2 2HB CYS 2 0.802 5.005 5.223 13 HB3 CYS 2 1HB CYS 2 0.557 6.398 4.183 14 H GLU 3 H GLU 3 3.087 5.039 6.573 15 HA GLU 3 HA GLU 3 2.360 7.146 8.173 16 HB2 GLU 3 2HB GLU 3 4.613 5.322 8.973 17 HB3 GLU 3 1HB GLU 3 3.360 6.017 9.975 18 HG2 GLU 3 2HG GLU 3 2.891 3.703 9.853 19 HG3 GLU 3 1HG GLU 3 1.733 4.468 8.765 20 H ARG 4 H ARG 4 5.781 6.301 7.692 21 HA ARG 4 HA ARG 4 6.484 8.783 8.800 22 HB2 ARG 4 2HB ARG 4 7.772 6.742 9.277 23 HB3 ARG 4 1HB ARG 4 8.197 6.597 7.590 24 HG2 ARG 4 2HG ARG 4 9.060 9.091 8.974 25 HG3 ARG 4 1HG ARG 4 9.843 7.603 9.474 26 HD2 ARG 4 2HD ARG 4 11.240 8.563 7.793 27 HD3 ARG 4 1HD ARG 4 10.414 7.222 7.020 28 HE ARG 4 HE ARG 4 9.078 9.722 6.659 29 HH11 ARG 4 1HH1 ARG 4 11.655 7.691 5.341 30 HH12 ARG 4 2HH1 ARG 4 11.598 8.366 3.778 31 HH21 ARG 4 1HH2 ARG 4 8.968 10.661 4.534 32 HH22 ARG 4 2HH2 ARG 4 9.990 10.137 3.299 33 H GLU 5 H GLU 5 6.457 7.180 5.749 34 HA GLU 5 HA GLU 5 7.983 8.855 4.287 35 HB2 GLU 5 2HB GLU 5 5.821 6.963 3.430 36 HB3 GLU 5 1HB GLU 5 7.050 7.662 2.378 37 HG2 GLU 5 2HG GLU 5 8.098 5.648 2.878 38 HG3 GLU 5 1HG GLU 5 8.651 6.712 4.178 39 H GLN 6 H GLN 6 4.367 8.927 4.519 40 HA GLN 6 HA GLN 6 4.553 11.438 2.961 41 HB2 GLN 6 2HB GLN 6 2.268 9.479 2.964 42 HB3 GLN 6 1HB GLN 6 2.435 10.907 1.966 43 HG2 GLN 6 2HG GLN 6 4.070 8.401 1.805 44 HG3 GLN 6 1HG GLN 6 2.746 8.890 0.728 45 HE21 GLN 6 1HE2 GLN 6 3.151 10.556 -0.790 46 HE22 GLN 6 2HE2 GLN 6 4.774 11.037 -1.166 47 H GLN 7 H GLN 7 3.947 10.025 5.879 48 HA GLN 7 HA GLN 7 2.956 10.368 7.598 49 HB2 GLN 7 2HB GLN 7 2.443 13.153 6.553 50 HB3 GLN 7 1HB GLN 7 2.157 12.682 8.229 51 HG2 GLN 7 2HG GLN 7 4.474 12.068 8.481 52 HG3 GLN 7 1HG GLN 7 4.772 12.459 6.794 53 HE21 GLN 7 1HE2 GLN 7 4.135 13.721 9.956 54 HE22 GLN 7 2HE2 GLN 7 4.571 15.368 9.606 55 H LEU 8 H LEU 8 1.603 9.360 5.394 56 HA LEU 8 HA LEU 8 -1.264 9.898 5.751 57 HB2 LEU 8 2HB LEU 8 0.353 8.347 3.764 58 HB3 LEU 8 1HB LEU 8 -1.394 8.203 3.915 59 HG LEU 8 HG LEU 8 -0.049 10.792 3.488 60 HD11 LEU 8 1HD1 LEU 8 0.604 9.315 1.564 61 HD12 LEU 8 2HD1 LEU 8 -0.587 10.496 1.023 62 HD13 LEU 8 3HD1 LEU 8 -1.087 8.845 1.374 63 HD21 LEU 8 3HD2 LEU 8 -2.259 11.411 2.526 64 HD22 LEU 8 1HD2 LEU 8 -2.318 10.942 4.226 65 HD23 LEU 8 2HD2 LEU 8 -2.843 9.810 2.985 66 H GLU 9 H GLU 9 -2.517 8.381 6.076 67 HA GLU 9 HA GLU 9 -1.618 6.386 8.014 68 HB2 GLU 9 2HB GLU 9 -3.794 7.756 8.201 69 HB3 GLU 9 1HB GLU 9 -4.334 6.724 6.875 70 HG2 GLU 9 2HG GLU 9 -4.075 4.758 8.290 71 HG3 GLU 9 1HG GLU 9 -3.626 5.808 9.641 72 H SER 10 H SER 10 -2.028 4.115 7.606 73 HA SER 10 HA SER 10 -1.596 3.342 4.930 74 HB2 SER 10 2HB SER 10 -1.297 1.260 6.050 75 HB3 SER 10 1HB SER 10 -0.476 2.681 6.829 76 HG SER 10 HG SER 10 -2.995 2.126 7.780 77 H CYS 11 H CYS 11 -2.968 1.750 3.892 78 HA CYS 11 HA CYS 11 -5.416 0.965 5.129 79 HB2 CYS 11 2HB CYS 11 -6.982 1.939 3.548 80 HB3 CYS 11 1HB CYS 11 -5.979 3.271 4.089 81 H ALA 12 H ALA 12 -6.597 -0.550 3.544 82 HA ALA 12 HA ALA 12 -4.638 -1.772 1.758 83 HB1 ALA 12 1HB ALA 12 -5.689 -3.938 2.287 84 HB2 ALA 12 2HB ALA 12 -6.750 -3.135 3.446 85 HB3 ALA 12 3HB ALA 12 -5.011 -3.186 3.731 86 H CYS 13 H CYS 13 -5.312 -1.867 -0.304 87 HA CYS 13 HA CYS 13 -7.809 -0.789 -1.077 88 HB2 CYS 13 2HB CYS 13 -5.721 -2.345 -2.635 89 HB3 CYS 13 1HB CYS 13 -7.058 -1.480 -3.319 90 H ASN 14 H ASN 14 -9.635 -1.622 -1.504 91 HA ASN 14 HA ASN 14 -10.502 -4.012 -0.380 92 HB2 ASN 14 2HB ASN 14 -11.858 -1.964 -1.081 93 HB3 ASN 14 1HB ASN 14 -11.824 -2.609 -2.707 94 HD21 ASN 14 1HD2 ASN 14 -12.254 -5.452 -1.721 95 HD22 ASN 14 2HD2 ASN 14 -13.915 -5.463 -1.241 96 H GLU 15 H GLU 15 -9.123 -3.427 -3.511 97 HA GLU 15 HA GLU 15 -10.066 -5.814 -4.531 98 HB2 GLU 15 2HB GLU 15 -9.584 -3.719 -5.927 99 HB3 GLU 15 1HB GLU 15 -7.886 -4.088 -5.690 100 HG2 GLU 15 2HG GLU 15 -9.785 -5.917 -7.125 101 HG3 GLU 15 1HG GLU 15 -8.753 -4.727 -7.914 102 H THR 16 H THR 16 -8.681 -7.673 -4.932 103 HA THR 16 HA THR 16 -7.209 -8.612 -2.832 104 HB THR 16 HB THR 16 -7.183 -9.442 -5.718 105 HG1 THR 16 1HG THR 16 -9.086 -10.004 -5.340 106 HG21 THR 16 3HG2 THR 16 -6.442 -11.044 -3.252 107 HG22 THR 16 1HG2 THR 16 -5.316 -10.396 -4.448 108 HG23 THR 16 2HG2 THR 16 -6.478 -11.649 -4.909 109 H ASP 17 H ASP 17 -5.784 -7.829 -5.989 110 HA ASP 17 HA ASP 17 -3.289 -8.233 -4.699 111 HB2 ASP 17 2HB ASP 17 -4.088 -7.657 -7.437 112 HB3 ASP 17 1HB ASP 17 -2.380 -7.557 -7.000 113 H ASN 18 H ASN 18 -5.311 -5.626 -5.548 114 HA ASN 18 HA ASN 18 -3.377 -3.621 -5.526 115 HB2 ASN 18 2HB ASN 18 -6.295 -3.622 -5.032 116 HB3 ASN 18 1HB ASN 18 -5.365 -2.202 -4.656 117 HD21 ASN 18 1HD2 ASN 18 -6.200 -4.361 -7.360 118 HD22 ASN 18 2HD2 ASN 18 -5.922 -3.179 -8.581 119 H SER 19 H SER 19 -4.525 -5.546 -3.094 120 HA SER 19 HA SER 19 -3.927 -3.760 -0.914 121 HB2 SER 19 2HB SER 19 -4.224 -6.778 -1.012 122 HB3 SER 19 1HB SER 19 -3.794 -5.963 0.476 123 HG SER 19 HG SER 19 -6.088 -5.211 -1.041 124 H CYS 20 H CYS 20 -1.993 -5.576 -3.086 125 HA CYS 20 HA CYS 20 0.177 -5.714 -1.218 126 HB2 CYS 20 2HB CYS 20 -0.218 -6.881 -3.911 127 HB3 CYS 20 1HB CYS 20 1.283 -7.076 -3.012 128 H LYS 21 H LYS 21 -0.759 -3.370 -3.270 129 HA LYS 21 HA LYS 21 1.915 -2.224 -2.868 130 HB2 LYS 21 2HB LYS 21 1.997 -1.500 -5.108 131 HB3 LYS 21 1HB LYS 21 0.790 -2.807 -5.212 132 HG2 LYS 21 2HG LYS 21 -0.218 -0.116 -4.586 133 HG3 LYS 21 1HG LYS 21 0.267 -0.452 -6.245 134 HD2 LYS 21 2HD LYS 21 -1.334 -2.126 -6.490 135 HD3 LYS 21 1HD LYS 21 -1.530 -2.312 -4.743 136 HE2 LYS 21 2HE LYS 21 -2.271 0.170 -6.263 137 HE3 LYS 21 1HE LYS 21 -3.406 -1.123 -5.865 138 HZ1 LYS 21 3HZ LYS 21 -2.891 -0.801 -3.529 139 HZ2 LYS 21 1HZ LYS 21 -3.511 0.612 -4.182 140 HZ3 LYS 21 2HZ LYS 21 -1.850 0.449 -3.863 141 H VAL 22 H VAL 22 2.165 -0.482 -2.300 142 HA VAL 22 HA VAL 22 0.829 -0.126 0.017 143 HB VAL 22 HB VAL 22 2.589 1.831 -1.449 144 HG11 VAL 22 1HG1 VAL 22 1.304 2.953 0.225 145 HG12 VAL 22 2HG1 VAL 22 2.987 2.782 0.767 146 HG13 VAL 22 3HG1 VAL 22 1.717 1.715 1.407 147 HG21 VAL 22 3HG2 VAL 22 3.237 -0.199 0.721 148 HG22 VAL 22 1HG2 VAL 22 4.373 0.824 -0.153 149 HG23 VAL 22 2HG2 VAL 22 3.493 -0.514 -0.962 150 H CYS 23 H CYS 23 -1.021 0.313 0.236 151 HA CYS 23 HA CYS 23 -2.241 2.624 -1.128 152 HB2 CYS 23 2HB CYS 23 -3.788 0.867 0.762 153 HB3 CYS 23 1HB CYS 23 -4.302 1.945 -0.547 154 H CYS 24 H CYS 24 -3.180 4.325 0.083 155 HA CYS 24 HA CYS 24 -2.326 4.551 2.853 156 HB2 CYS 24 2HB CYS 24 -1.892 6.631 0.690 157 HB3 CYS 24 1HB CYS 24 -1.622 6.883 2.405 158 H ARG 25 H ARG 25 -3.608 6.378 3.906 159 HA ARG 25 HA ARG 25 -6.255 6.190 2.713 160 HB2 ARG 25 2HB ARG 25 -5.583 5.021 4.986 161 HB3 ARG 25 1HB ARG 25 -5.702 6.657 5.597 162 HG2 ARG 25 2HG ARG 25 -7.984 5.651 4.058 163 HG3 ARG 25 1HG ARG 25 -7.740 4.986 5.672 164 HD2 ARG 25 2HD ARG 25 -7.952 7.927 4.974 165 HD3 ARG 25 1HD ARG 25 -9.257 6.935 5.632 166 HE ARG 25 HE ARG 25 -7.280 6.594 7.430 167 HH11 ARG 25 1HH1 ARG 25 -8.617 9.555 6.058 168 HH12 ARG 25 2HH1 ARG 25 -8.533 10.463 7.503 169 HH21 ARG 25 1HH2 ARG 25 -7.041 7.777 9.347 170 HH22 ARG 25 2HH2 ARG 25 -7.557 9.387 9.502 171 H ASP 26 H ASP 26 -7.268 8.005 2.288 172 HA ASP 26 HA ASP 26 -5.750 10.389 2.456 173 HB2 ASP 26 2HB ASP 26 -6.709 10.861 0.479 174 HB3 ASP 26 1HB ASP 26 -7.365 9.236 0.493 175 H LEU 27 H LEU 27 -7.001 12.194 2.742 176 HA LEU 27 HA LEU 27 -7.669 12.535 5.368 177 HB2 LEU 27 2HB LEU 27 -8.464 14.533 3.282 178 HB3 LEU 27 1HB LEU 27 -8.055 14.846 4.955 179 HG LEU 27 HG LEU 27 -5.731 13.806 4.106 180 HD11 LEU 27 1HD1 LEU 27 -6.814 15.201 1.676 181 HD12 LEU 27 2HD1 LEU 27 -6.547 13.479 1.818 182 HD13 LEU 27 3HD1 LEU 27 -5.170 14.590 1.883 183 HD21 LEU 27 3HD2 LEU 27 -4.928 16.121 3.861 184 HD22 LEU 27 1HD2 LEU 27 -5.993 15.941 5.255 185 HD23 LEU 27 2HD2 LEU 27 -6.598 16.680 3.773 186 H SER 28 H SER 28 -9.779 12.042 2.587 187 HA SER 28 HA SER 28 -12.095 12.853 3.986 188 HB2 SER 28 2HB SER 28 -11.669 11.633 1.285 189 HB3 SER 28 1HB SER 28 -13.216 12.304 1.846 190 HG SER 28 HG SER 28 -11.100 13.972 2.169 191 H GLY 29 H GLY 29 -10.146 10.248 4.020 192 HA2 GLY 29 2HA GLY 29 -10.372 8.570 5.255 193 HA3 GLY 29 1HA GLY 29 -12.149 8.652 5.267 194 H ARG 30 H ARG 30 -10.575 8.765 2.197 195 HA ARG 30 HA ARG 30 -11.645 6.157 1.543 196 HB2 ARG 30 2HB ARG 30 -10.325 8.288 -0.130 197 HB3 ARG 30 1HB ARG 30 -11.117 6.842 -0.743 198 HG2 ARG 30 2HG ARG 30 -13.235 7.606 -0.161 199 HG3 ARG 30 1HG ARG 30 -12.590 8.810 0.958 200 HD2 ARG 30 2HD ARG 30 -12.219 8.852 -2.023 201 HD3 ARG 30 1HD ARG 30 -13.433 9.789 -1.133 202 HE ARG 30 HE ARG 30 -10.844 10.244 -0.086 203 HH11 ARG 30 1HH1 ARG 30 -12.809 11.092 -2.898 204 HH12 ARG 30 2HH1 ARG 30 -12.071 12.613 -3.144 205 HH21 ARG 30 1HH2 ARG 30 -9.850 12.296 -0.384 206 HH22 ARG 30 2HH2 ARG 30 -10.309 13.339 -1.641 207 H CYS 31 H CYS 31 -10.322 4.604 0.481 208 HA CYS 31 HA CYS 31 -7.537 4.663 1.332 209 HB2 CYS 31 2HB CYS 31 -8.885 2.662 1.911 210 HB3 CYS 31 1HB CYS 31 -9.237 2.417 0.205 211 H VAL 32 H VAL 32 -5.911 4.861 -0.223 212 HA VAL 32 HA VAL 32 -6.786 4.802 -2.895 213 HB VAL 32 HB VAL 32 -5.862 6.902 -3.499 214 HG11 VAL 32 1HG1 VAL 32 -7.985 7.228 -2.462 215 HG12 VAL 32 2HG1 VAL 32 -6.933 8.615 -2.192 216 HG13 VAL 32 3HG1 VAL 32 -7.220 7.475 -0.886 217 HG21 VAL 32 3HG2 VAL 32 -4.544 8.365 -1.918 218 HG22 VAL 32 1HG2 VAL 32 -3.803 6.853 -2.461 219 HG23 VAL 32 2HG2 VAL 32 -4.473 6.956 -0.830 220 HA PRO 33 HA PRO 33 -2.658 2.985 -3.072 221 HB2 PRO 33 2HB PRO 33 -1.957 3.508 -5.685 222 HB3 PRO 33 1HB PRO 33 -3.098 2.237 -5.214 223 HG2 PRO 33 2HG PRO 33 -3.651 4.653 -6.657 224 HG3 PRO 33 1HG PRO 33 -4.749 3.323 -6.257 225 HD2 PRO 33 2HD PRO 33 -4.441 5.929 -4.892 226 HD3 PRO 33 1HD PRO 33 -5.780 4.757 -4.815 227 H TYR 34 H TYR 34 -0.532 3.703 -2.457 228 HA TYR 34 HA TYR 34 -0.154 6.472 -2.820 229 HB2 TYR 34 2HB TYR 34 0.800 6.079 -0.908 230 HB3 TYR 34 1HB TYR 34 1.345 4.431 -1.298 231 HD1 TYR 34 1HD TYR 34 2.164 8.065 -2.424 232 HD2 TYR 34 2HD TYR 34 3.651 4.201 -1.275 233 HE1 TYR 34 1HE TYR 34 4.324 8.804 -2.761 234 HE2 TYR 34 2HE TYR 34 5.943 5.066 -1.632 235 HH TYR 34 HH TYR 34 6.518 8.423 -2.437 236 H VAL 35 H VAL 35 0.456 7.477 -4.324 237 HA VAL 35 HA VAL 35 2.837 6.836 -5.707 238 HB VAL 35 HB VAL 35 1.046 8.406 -7.206 239 HG11 VAL 35 1HG1 VAL 35 2.485 5.965 -8.040 240 HG12 VAL 35 2HG1 VAL 35 3.079 7.607 -7.896 241 HG13 VAL 35 3HG1 VAL 35 1.825 7.244 -9.093 242 HG21 VAL 35 3HG2 VAL 35 -0.559 6.772 -8.109 243 HG22 VAL 35 1HG2 VAL 35 -0.736 6.950 -6.359 244 HG23 VAL 35 2HG2 VAL 35 0.091 5.534 -7.020 245 H ASP 36 H ASP 36 3.859 8.704 -5.448 246 HA ASP 36 HA ASP 36 2.298 11.145 -4.784 247 HB2 ASP 36 2HB ASP 36 4.394 12.032 -3.998 248 HB3 ASP 36 1HB ASP 36 3.976 10.501 -3.213 249 H ALA 37 H ALA 37 3.939 12.895 -5.477 250 HA ALA 37 HA ALA 37 2.211 13.014 -7.580 251 HB1 ALA 37 1HB ALA 37 2.640 15.409 -7.492 252 HB2 ALA 37 2HB ALA 37 4.072 15.021 -6.479 253 HB3 ALA 37 3HB ALA 37 2.450 14.550 -5.925 254 H GLU 38 H GLU 38 5.519 12.484 -7.040 255 HA GLU 38 HA GLU 38 6.452 13.000 -9.540 256 HB2 GLU 38 2HB GLU 38 7.383 11.583 -7.182 257 HB3 GLU 38 1HB GLU 38 8.503 11.959 -8.526 258 HG2 GLU 38 2HG GLU 38 8.952 13.852 -7.290 259 HG3 GLU 38 1HG GLU 38 7.329 14.358 -7.791 260 H GLN 39 H GLN 39 4.320 10.594 -8.339 261 HA GLN 39 HA GLN 39 3.550 8.892 -9.001 262 HB2 GLN 39 2HB GLN 39 5.328 9.568 -11.122 263 HB3 GLN 39 1HB GLN 39 4.398 8.038 -11.324 264 HG2 GLN 39 2HG GLN 39 2.353 9.420 -11.025 265 HG3 GLN 39 1HG GLN 39 3.376 10.844 -10.849 266 HE21 GLN 39 1HE2 GLN 39 4.345 11.697 -12.658 267 HE22 GLN 39 2HE2 GLN 39 3.874 11.259 -14.272 268 H LYS 40 H LYS 40 5.845 8.788 -7.141 269 HA LYS 40 HA LYS 40 7.267 6.403 -7.804 270 HB2 LYS 40 2HB LYS 40 6.758 7.724 -5.204 271 HB3 LYS 40 1HB LYS 40 7.923 6.400 -5.502 272 HG2 LYS 40 2HG LYS 40 9.087 7.922 -6.998 273 HG3 LYS 40 1HG LYS 40 7.961 9.216 -6.525 274 HD2 LYS 40 2HD LYS 40 8.750 8.377 -4.088 275 HD3 LYS 40 1HD LYS 40 10.215 8.005 -4.998 276 HE2 LYS 40 2HE LYS 40 10.403 10.221 -4.076 277 HE3 LYS 40 1HE LYS 40 10.222 10.345 -5.829 278 HZ1 LYS 40 3HZ LYS 40 7.832 10.778 -5.472 279 HZ2 LYS 40 1HZ LYS 40 8.704 11.960 -4.676 280 HZ3 LYS 40 2HZ LYS 40 7.980 10.644 -3.894 281 H ASN 41 H ASN 41 6.777 4.473 -7.177 282 HA ASN 41 HA ASN 41 4.167 4.097 -5.943 283 HB2 ASN 41 2HB ASN 41 5.449 2.950 -8.290 284 HB3 ASN 41 1HB ASN 41 4.318 1.884 -7.436 285 HD21 ASN 41 1HD2 ASN 41 4.705 4.652 -9.540 286 HD22 ASN 41 2HD2 ASN 41 3.025 4.874 -9.838 287 H LEU 42 H LEU 42 4.063 2.147 -4.620 288 HA LEU 42 HA LEU 42 6.604 0.704 -4.205 289 HB2 LEU 42 2HB LEU 42 4.698 1.580 -2.090 290 HB3 LEU 42 1HB LEU 42 6.055 0.521 -1.847 291 HG LEU 42 HG LEU 42 6.178 3.419 -2.576 292 HD11 LEU 42 1HD1 LEU 42 6.734 1.952 0.021 293 HD12 LEU 42 2HD1 LEU 42 5.235 2.756 -0.354 294 HD13 LEU 42 3HD1 LEU 42 6.732 3.715 -0.200 295 HD21 LEU 42 3HD2 LEU 42 8.570 3.197 -2.017 296 HD22 LEU 42 1HD2 LEU 42 8.135 2.153 -3.371 297 HD23 LEU 42 2HD2 LEU 42 8.348 1.467 -1.759 298 H PHE 43 H PHE 43 6.104 -1.452 -4.716 299 HA PHE 43 HA PHE 43 3.661 -2.468 -4.023 300 HB2 PHE 43 2HB PHE 43 4.626 -4.544 -4.931 301 HB3 PHE 43 1HB PHE 43 5.119 -3.089 -5.824 302 HD1 PHE 43 2HD PHE 43 7.352 -2.317 -5.937 303 HD2 PHE 43 1HD PHE 43 6.356 -5.781 -3.682 304 HE1 PHE 43 2HE PHE 43 9.733 -2.913 -5.813 305 HE2 PHE 43 1HE PHE 43 8.721 -6.385 -3.558 306 HZ PHE 43 HZ PHE 43 10.424 -4.952 -4.620 307 H LEU 44 H LEU 44 3.362 -3.950 -2.120 308 HA LEU 44 HA LEU 44 4.475 -3.102 0.123 309 HB2 LEU 44 2HB LEU 44 2.563 -5.109 -0.619 310 HB3 LEU 44 1HB LEU 44 3.513 -5.668 0.737 311 HG LEU 44 HG LEU 44 2.880 -3.576 1.956 312 HD11 LEU 44 1HD1 LEU 44 0.982 -3.206 -0.334 313 HD12 LEU 44 2HD1 LEU 44 2.350 -2.172 0.071 314 HD13 LEU 44 3HD1 LEU 44 0.981 -2.297 1.177 315 HD21 LEU 44 3HD2 LEU 44 0.608 -4.310 2.475 316 HD22 LEU 44 1HD2 LEU 44 1.735 -5.663 2.384 317 HD23 LEU 44 2HD2 LEU 44 0.623 -5.350 1.051 318 H ARG 45 H ARG 45 5.234 -5.107 1.774 319 HA ARG 45 HA ARG 45 7.562 -6.285 0.606 320 HB2 ARG 45 2HB ARG 45 6.535 -5.796 3.282 321 HB3 ARG 45 1HB ARG 45 8.042 -6.738 3.073 322 HG2 ARG 45 2HG ARG 45 7.459 -3.796 2.554 323 HG3 ARG 45 1HG ARG 45 8.584 -4.461 3.727 324 HD2 ARG 45 2HD ARG 45 9.967 -3.660 2.016 325 HD3 ARG 45 1HD ARG 45 9.853 -5.382 1.672 326 HE ARG 45 HE ARG 45 7.928 -4.513 0.105 327 HH11 ARG 45 1HH1 ARG 45 11.156 -3.136 0.557 328 HH12 ARG 45 2HH1 ARG 45 11.188 -2.334 -0.943 329 HH21 ARG 45 1HH2 ARG 45 7.921 -3.387 -1.892 330 HH22 ARG 45 2HH2 ARG 45 9.266 -2.493 -2.408 331 H LYS 46 H LYS 46 7.972 -8.585 1.493 332 HA LYS 46 HA LYS 46 5.656 -10.163 0.968 333 HB2 LYS 46 2HB LYS 46 7.094 -12.156 1.373 334 HB3 LYS 46 1HB LYS 46 7.736 -11.059 0.166 335 HG2 LYS 46 2HG LYS 46 9.392 -10.248 1.667 336 HG3 LYS 46 1HG LYS 46 8.627 -11.041 3.034 337 HD2 LYS 46 2HD LYS 46 10.679 -12.217 2.312 338 HD3 LYS 46 1HD LYS 46 9.255 -13.232 2.162 339 HE2 LYS 46 2HE LYS 46 10.201 -11.697 -0.230 340 HE3 LYS 46 1HE LYS 46 11.096 -13.124 0.267 341 HZ1 LYS 46 3HZ LYS 46 9.307 -13.529 -1.442 342 HZ2 LYS 46 1HZ LYS 46 8.147 -13.176 -0.337 343 HZ3 LYS 46 2HZ LYS 46 9.109 -14.478 -0.079 344 H GLY 47 H GLY 47 4.369 -11.242 2.133 345 HA2 GLY 47 2HA GLY 47 3.551 -12.493 3.888 346 HA3 GLY 47 1HA GLY 47 5.039 -12.184 4.790 347 H LYS 48 H LYS 48 3.075 -9.711 3.338 348 HA LYS 48 HA LYS 48 2.371 -8.765 5.995 349 HB2 LYS 48 2HB LYS 48 2.450 -7.637 3.276 350 HB3 LYS 48 1HB LYS 48 1.851 -6.672 4.646 351 HG2 LYS 48 2HG LYS 48 4.678 -7.730 4.205 352 HG3 LYS 48 1HG LYS 48 4.165 -6.082 3.905 353 HD2 LYS 48 2HD LYS 48 5.318 -5.995 5.966 354 HD3 LYS 48 1HD LYS 48 3.622 -5.971 6.413 355 HE2 LYS 48 2HE LYS 48 4.985 -7.388 7.877 356 HE3 LYS 48 1HE LYS 48 3.756 -8.348 7.098 357 HZ1 LYS 48 3HZ LYS 48 6.678 -8.272 6.503 358 HZ2 LYS 48 1HZ LYS 48 5.577 -9.021 5.456 359 HZ3 LYS 48 2HZ LYS 48 5.721 -9.570 7.007 360 HA PRO 49 HA PRO 49 -1.720 -10.412 5.539 361 HB2 PRO 49 2HB PRO 49 -2.507 -7.853 6.859 362 HB3 PRO 49 1HB PRO 49 -2.922 -9.521 7.312 363 HG2 PRO 49 2HG PRO 49 -1.139 -8.228 8.715 364 HG3 PRO 49 1HG PRO 49 -0.881 -9.932 8.286 365 HD2 PRO 49 2HD PRO 49 0.391 -7.500 7.124 366 HD3 PRO 49 1HD PRO 49 1.079 -9.102 7.472 367 H CYS 50 H CYS 50 -3.149 -10.341 3.927 368 HA CYS 50 HA CYS 50 -3.845 -7.864 2.748 369 HB2 CYS 50 2HB CYS 50 -2.112 -8.250 1.351 370 HB3 CYS 50 1HB CYS 50 -2.161 -10.016 1.502 371 H THR 51 H THR 51 -5.372 -8.779 0.743 372 HA THR 51 HA THR 51 -7.813 -9.343 1.868 373 HB THR 51 HB THR 51 -8.412 -9.896 -0.563 374 HG1 THR 51 1HG THR 51 -5.981 -8.882 -1.418 375 HG21 THR 51 3HG2 THR 51 -6.807 -7.412 -0.119 376 HG22 THR 51 1HG2 THR 51 -8.466 -7.598 0.493 377 HG23 THR 51 2HG2 THR 51 -8.151 -7.630 -1.250 378 H VAL 52 H VAL 52 -6.175 -11.408 -0.346 379 HA VAL 52 HA VAL 52 -7.736 -13.694 0.528 380 HB VAL 52 HB VAL 52 -6.925 -14.852 -1.443 381 HG11 VAL 52 1HG1 VAL 52 -8.871 -13.495 -1.700 382 HG12 VAL 52 2HG1 VAL 52 -7.880 -13.276 -3.151 383 HG13 VAL 52 3HG1 VAL 52 -7.897 -12.042 -1.886 384 HG21 VAL 52 3HG2 VAL 52 -4.626 -13.946 -1.580 385 HG22 VAL 52 1HG2 VAL 52 -5.257 -12.364 -2.011 386 HG23 VAL 52 2HG2 VAL 52 -5.465 -13.710 -3.107 387 H GLY 53 H GLY 53 -4.652 -12.500 1.218 388 HA2 GLY 53 2HA GLY 53 -4.033 -14.565 2.901 389 HA3 GLY 53 1HA GLY 53 -3.213 -14.812 1.344 390 H PHE 54 H PHE 54 -1.325 -13.984 1.149 391 HA PHE 54 HA PHE 54 -0.682 -11.600 2.717 392 HB2 PHE 54 2HB PHE 54 1.054 -14.024 2.262 393 HB3 PHE 54 1HB PHE 54 1.658 -12.514 2.933 394 HD1 PHE 54 1HD PHE 54 0.711 -11.710 5.120 395 HD2 PHE 54 2HD PHE 54 -0.017 -15.620 3.610 396 HE1 PHE 54 1HE PHE 54 0.064 -12.452 7.372 397 HE2 PHE 54 2HE PHE 54 -0.668 -16.371 5.860 398 HZ PHE 54 HZ PHE 54 -0.629 -14.786 7.745 399 H CYS 55 H CYS 55 1.009 -10.378 1.842 400 HA CYS 55 HA CYS 55 1.006 -10.344 -1.079 401 HB2 CYS 55 2HB CYS 55 2.053 -8.527 1.007 402 HB3 CYS 55 1HB CYS 55 2.285 -8.231 -0.710 403 H ASP 56 H ASP 56 2.728 -11.014 -2.228 404 HA ASP 56 HA ASP 56 5.211 -11.172 -0.663 405 HB2 ASP 56 2HB ASP 56 4.351 -13.316 -1.904 406 HB3 ASP 56 1HB ASP 56 5.045 -12.550 -3.338 407 H MET 57 H MET 57 7.141 -11.121 -2.655 408 HA MET 57 HA MET 57 7.328 -8.248 -2.892 409 HB2 MET 57 2HB MET 57 9.244 -10.381 -3.840 410 HB3 MET 57 1HB MET 57 9.595 -8.667 -3.723 411 HG2 MET 57 2HG MET 57 8.914 -10.460 -1.409 412 HG3 MET 57 1HG MET 57 10.545 -10.006 -1.882 413 HE1 MET 57 3HE MET 57 11.587 -7.599 -1.489 414 HE2 MET 57 1HE MET 57 10.630 -6.188 -1.055 415 HE3 MET 57 2HE MET 57 10.375 -6.989 -2.608 416 H ASN 58 H ASN 58 5.795 -10.353 -4.757 417 HA ASN 58 HA ASN 58 6.550 -9.236 -7.351 418 HB2 ASN 58 2HB ASN 58 5.946 -11.680 -7.062 419 HB3 ASN 58 1HB ASN 58 4.306 -11.179 -6.686 420 HD21 ASN 58 1HD2 ASN 58 2.973 -10.407 -8.399 421 HD22 ASN 58 2HD2 ASN 58 3.437 -10.639 -10.050 422 H GLY 59 H GLY 59 4.593 -8.451 -4.751 423 HA2 GLY 59 2HA GLY 59 2.976 -6.809 -4.456 424 HA3 GLY 59 1HA GLY 59 3.152 -6.390 -6.179 425 H LYS 60 H LYS 60 2.537 -9.535 -4.943 426 HA LYS 60 HA LYS 60 -0.323 -9.363 -5.613 427 HB2 LYS 60 2HB LYS 60 1.647 -11.431 -6.446 428 HB3 LYS 60 1HB LYS 60 -0.018 -11.857 -6.134 429 HG2 LYS 60 2HG LYS 60 -0.598 -10.020 -7.801 430 HG3 LYS 60 1HG LYS 60 1.094 -10.129 -8.318 431 HD2 LYS 60 2HD LYS 60 0.010 -11.645 -9.750 432 HD3 LYS 60 1HD LYS 60 0.630 -12.682 -8.472 433 HE2 LYS 60 2HE LYS 60 -2.235 -11.706 -8.804 434 HE3 LYS 60 1HE LYS 60 -1.654 -13.343 -9.039 435 HZ1 LYS 60 3HZ LYS 60 -1.130 -13.339 -6.561 436 HZ2 LYS 60 1HZ LYS 60 -2.767 -13.229 -6.931 437 HZ3 LYS 60 2HZ LYS 60 -1.992 -11.851 -6.499 438 H CYS 61 H CYS 61 -1.601 -10.665 -4.647 439 HA CYS 61 HA CYS 61 -0.727 -11.539 -2.026 440 HB2 CYS 61 2HB CYS 61 -2.668 -9.926 -2.864 441 HB3 CYS 61 1HB CYS 61 -3.379 -11.525 -3.151 442 H GLU 62 H GLU 62 -0.334 -13.697 -2.190 443 HA GLU 62 HA GLU 62 0.388 -15.374 -3.553 444 HB2 GLU 62 2HB GLU 62 -2.382 -15.644 -2.661 445 HB3 GLU 62 1HB GLU 62 -1.722 -16.995 -3.613 446 HG2 GLU 62 2HG GLU 62 -1.399 -17.530 -1.269 447 HG3 GLU 62 1HG GLU 62 0.147 -17.021 -1.958 Start of MODEL 17 1 H PHE 1 1HT PHE 1 6.877 5.331 3.069 2 HA PHE 1 HA PHE 1 5.468 3.866 1.814 3 HB2 PHE 1 2HB PHE 1 4.035 3.407 4.451 4 HB3 PHE 1 1HB PHE 1 3.571 2.745 2.900 5 HD1 PHE 1 1HD PHE 1 4.855 0.891 1.942 6 HD2 PHE 1 2HD PHE 1 5.679 2.588 5.699 7 HE1 PHE 1 1HE PHE 1 6.195 -1.110 2.500 8 HE2 PHE 1 2HE PHE 1 7.060 0.578 6.328 9 HZ PHE 1 HZ PHE 1 7.302 -1.265 4.700 10 H CYS 2 H CYS 2 3.711 5.080 4.573 11 HA CYS 2 HA CYS 2 2.754 7.194 2.818 12 HB2 CYS 2 2HB CYS 2 1.232 5.739 4.960 13 HB3 CYS 2 1HB CYS 2 0.610 7.142 4.096 14 H GLU 3 H GLU 3 3.876 6.376 5.939 15 HA GLU 3 HA GLU 3 3.191 8.536 7.475 16 HB2 GLU 3 2HB GLU 3 5.073 7.848 8.910 17 HB3 GLU 3 1HB GLU 3 3.984 6.507 8.522 18 HG2 GLU 3 2HG GLU 3 6.872 7.012 7.842 19 HG3 GLU 3 1HG GLU 3 6.115 5.551 8.452 20 H ARG 4 H ARG 4 6.478 8.094 6.292 21 HA ARG 4 HA ARG 4 7.037 10.789 6.726 22 HB2 ARG 4 2HB ARG 4 8.790 9.185 7.080 23 HB3 ARG 4 1HB ARG 4 8.654 8.582 5.442 24 HG2 ARG 4 2HG ARG 4 9.482 11.413 5.930 25 HG3 ARG 4 1HG ARG 4 10.660 10.108 6.110 26 HD2 ARG 4 2HD ARG 4 10.327 9.452 3.811 27 HD3 ARG 4 1HD ARG 4 8.995 10.588 3.637 28 HE ARG 4 HE ARG 4 11.390 11.878 4.392 29 HH11 ARG 4 1HH1 ARG 4 9.844 10.329 1.608 30 HH12 ARG 4 2HH1 ARG 4 10.446 11.365 0.433 31 HH21 ARG 4 1HH2 ARG 4 12.349 13.360 2.755 32 HH22 ARG 4 2HH2 ARG 4 11.954 13.147 1.109 33 H GLU 5 H GLU 5 6.122 8.909 4.039 34 HA GLU 5 HA GLU 5 6.999 10.608 1.952 35 HB2 GLU 5 2HB GLU 5 4.939 8.416 1.896 36 HB3 GLU 5 1HB GLU 5 5.614 9.202 0.480 37 HG2 GLU 5 2HG GLU 5 7.167 7.599 2.505 38 HG3 GLU 5 1HG GLU 5 6.659 7.027 0.922 39 H GLN 6 H GLN 6 3.702 10.229 3.412 40 HA GLN 6 HA GLN 6 2.844 12.534 1.744 41 HB2 GLN 6 2HB GLN 6 1.220 10.181 2.670 42 HB3 GLN 6 1HB GLN 6 0.659 11.514 1.686 43 HG2 GLN 6 2HG GLN 6 2.772 9.578 0.846 44 HG3 GLN 6 1HG GLN 6 1.035 9.374 0.541 45 HE21 GLN 6 1HE2 GLN 6 1.287 9.420 -1.653 46 HE22 GLN 6 2HE2 GLN 6 1.666 10.841 -2.536 47 H GLN 7 H GLN 7 3.501 11.374 4.762 48 HA GLN 7 HA GLN 7 2.932 11.567 6.737 49 HB2 GLN 7 2HB GLN 7 1.629 14.168 5.889 50 HB3 GLN 7 1HB GLN 7 1.969 13.748 7.567 51 HG2 GLN 7 2HG GLN 7 4.330 13.626 7.091 52 HG3 GLN 7 1HG GLN 7 4.022 13.942 5.391 53 HE21 GLN 7 1HE2 GLN 7 5.276 15.784 5.375 54 HE22 GLN 7 2HE2 GLN 7 4.804 17.254 6.170 55 H LEU 8 H LEU 8 1.233 10.202 4.997 56 HA LEU 8 HA LEU 8 -1.510 10.337 6.101 57 HB2 LEU 8 2HB LEU 8 -0.374 8.999 3.674 58 HB3 LEU 8 1HB LEU 8 -1.986 8.713 4.299 59 HG LEU 8 HG LEU 8 -0.967 11.375 3.496 60 HD11 LEU 8 1HD1 LEU 8 -2.329 11.042 1.392 61 HD12 LEU 8 2HD1 LEU 8 -2.632 9.379 1.905 62 HD13 LEU 8 3HD1 LEU 8 -0.993 9.896 1.515 63 HD21 LEU 8 3HD2 LEU 8 -2.837 11.521 4.995 64 HD22 LEU 8 1HD2 LEU 8 -3.750 10.357 4.032 65 HD23 LEU 8 2HD2 LEU 8 -3.387 11.950 3.378 66 H GLU 9 H GLU 9 -2.474 8.598 6.423 67 HA GLU 9 HA GLU 9 -1.088 6.706 8.167 68 HB2 GLU 9 2HB GLU 9 -3.426 7.764 8.523 69 HB3 GLU 9 1HB GLU 9 -3.875 6.665 7.213 70 HG2 GLU 9 2HG GLU 9 -3.357 4.755 8.571 71 HG3 GLU 9 1HG GLU 9 -2.870 5.816 9.902 72 H SER 10 H SER 10 -1.134 4.410 7.629 73 HA SER 10 HA SER 10 -1.119 3.872 4.839 74 HB2 SER 10 2HB SER 10 -0.036 1.908 5.615 75 HB3 SER 10 1HB SER 10 0.531 3.457 6.390 76 HG SER 10 HG SER 10 -1.439 2.141 7.761 77 H CYS 11 H CYS 11 -2.318 2.024 4.028 78 HA CYS 11 HA CYS 11 -4.182 0.644 5.662 79 HB2 CYS 11 2HB CYS 11 -5.520 2.798 5.188 80 HB3 CYS 11 1HB CYS 11 -5.338 2.423 3.472 81 H ALA 12 H ALA 12 -5.676 -0.567 3.815 82 HA ALA 12 HA ALA 12 -3.780 -1.515 1.796 83 HB1 ALA 12 1HB ALA 12 -5.608 -3.189 3.518 84 HB2 ALA 12 2HB ALA 12 -3.849 -3.132 3.634 85 HB3 ALA 12 3HB ALA 12 -4.619 -3.803 2.191 86 H CYS 13 H CYS 13 -4.686 -1.790 -0.174 87 HA CYS 13 HA CYS 13 -7.335 -0.763 -0.580 88 HB2 CYS 13 2HB CYS 13 -5.291 -1.903 -2.493 89 HB3 CYS 13 1HB CYS 13 -6.790 -1.147 -2.968 90 H ASN 14 H ASN 14 -9.127 -1.702 -0.828 91 HA ASN 14 HA ASN 14 -9.574 -4.319 0.027 92 HB2 ASN 14 2HB ASN 14 -11.241 -2.498 0.158 93 HB3 ASN 14 1HB ASN 14 -11.395 -2.540 -1.591 94 HD21 ASN 14 1HD2 ASN 14 -11.170 -5.429 0.478 95 HD22 ASN 14 2HD2 ASN 14 -12.782 -5.945 0.141 96 H GLU 15 H GLU 15 -8.966 -3.072 -3.138 97 HA GLU 15 HA GLU 15 -9.968 -5.181 -4.547 98 HB2 GLU 15 2HB GLU 15 -9.412 -2.911 -5.485 99 HB3 GLU 15 1HB GLU 15 -7.716 -3.313 -5.307 100 HG2 GLU 15 2HG GLU 15 -9.584 -4.833 -7.116 101 HG3 GLU 15 1HG GLU 15 -8.624 -3.452 -7.641 102 H THR 16 H THR 16 -8.746 -7.098 -5.312 103 HA THR 16 HA THR 16 -7.204 -8.318 -3.357 104 HB THR 16 HB THR 16 -7.543 -9.039 -6.253 105 HG1 THR 16 1HG THR 16 -9.204 -9.044 -4.256 106 HG21 THR 16 3HG2 THR 16 -6.501 -10.773 -3.975 107 HG22 THR 16 1HG2 THR 16 -5.475 -10.060 -5.215 108 HG23 THR 16 2HG2 THR 16 -6.691 -11.262 -5.655 109 H ASP 17 H ASP 17 -6.122 -6.972 -6.475 110 HA ASP 17 HA ASP 17 -3.504 -7.958 -5.924 111 HB2 ASP 17 2HB ASP 17 -4.501 -7.620 -8.216 112 HB3 ASP 17 1HB ASP 17 -4.247 -5.891 -7.894 113 H ASN 18 H ASN 18 -5.267 -4.955 -5.627 114 HA ASN 18 HA ASN 18 -2.948 -3.525 -5.063 115 HB2 ASN 18 2HB ASN 18 -5.826 -2.754 -5.151 116 HB3 ASN 18 1HB ASN 18 -4.649 -1.670 -4.421 117 HD21 ASN 18 1HD2 ASN 18 -5.550 -3.306 -7.403 118 HD22 ASN 18 2HD2 ASN 18 -4.688 -2.235 -8.443 119 H SER 19 H SER 19 -4.529 -5.684 -3.239 120 HA SER 19 HA SER 19 -4.331 -4.454 -0.675 121 HB2 SER 19 2HB SER 19 -3.867 -7.421 -1.164 122 HB3 SER 19 1HB SER 19 -4.631 -6.640 0.216 123 HG SER 19 HG SER 19 -6.026 -5.874 -1.785 124 H CYS 20 H CYS 20 -2.067 -5.932 -2.849 125 HA CYS 20 HA CYS 20 0.152 -5.859 -0.984 126 HB2 CYS 20 2HB CYS 20 -0.235 -6.817 -3.748 127 HB3 CYS 20 1HB CYS 20 1.388 -6.424 -3.202 128 H LYS 21 H LYS 21 -1.290 -3.377 -2.258 129 HA LYS 21 HA LYS 21 1.226 -1.989 -2.924 130 HB2 LYS 21 2HB LYS 21 -1.608 -1.294 -3.481 131 HB3 LYS 21 1HB LYS 21 -0.182 -0.449 -4.115 132 HG2 LYS 21 2HG LYS 21 -1.185 -3.187 -4.836 133 HG3 LYS 21 1HG LYS 21 -1.316 -1.751 -5.877 134 HD2 LYS 21 2HD LYS 21 1.202 -1.766 -5.891 135 HD3 LYS 21 1HD LYS 21 1.067 -3.271 -4.951 136 HE2 LYS 21 2HE LYS 21 -0.167 -2.885 -7.691 137 HE3 LYS 21 1HE LYS 21 1.395 -3.653 -7.426 138 HZ1 LYS 21 3HZ LYS 21 -0.657 -5.140 -7.650 139 HZ2 LYS 21 1HZ LYS 21 -1.087 -4.677 -6.130 140 HZ3 LYS 21 2HZ LYS 21 0.354 -5.516 -6.395 141 H VAL 22 H VAL 22 1.653 -0.357 -2.182 142 HA VAL 22 HA VAL 22 0.912 -0.165 0.521 143 HB VAL 22 HB VAL 22 2.741 1.446 -1.221 144 HG11 VAL 22 1HG1 VAL 22 3.594 2.292 0.968 145 HG12 VAL 22 2HG1 VAL 22 2.100 1.588 1.691 146 HG13 VAL 22 3HG1 VAL 22 1.984 2.819 0.434 147 HG21 VAL 22 3HG2 VAL 22 3.258 -0.951 -0.902 148 HG22 VAL 22 1HG2 VAL 22 3.262 -0.749 0.835 149 HG23 VAL 22 2HG2 VAL 22 4.491 0.072 -0.116 150 H CYS 23 H CYS 23 -0.894 0.499 0.724 151 HA CYS 23 HA CYS 23 -1.845 2.884 -0.700 152 HB2 CYS 23 2HB CYS 23 -3.526 1.061 0.998 153 HB3 CYS 23 1HB CYS 23 -4.034 2.294 -0.169 154 H CYS 24 H CYS 24 -2.677 4.647 0.367 155 HA CYS 24 HA CYS 24 -1.916 4.914 3.167 156 HB2 CYS 24 2HB CYS 24 -2.419 6.977 1.009 157 HB3 CYS 24 1HB CYS 24 -1.955 7.328 2.666 158 H ARG 25 H ARG 25 -3.536 6.595 4.246 159 HA ARG 25 HA ARG 25 -6.184 5.902 3.260 160 HB2 ARG 25 2HB ARG 25 -5.277 4.775 5.402 161 HB3 ARG 25 1HB ARG 25 -5.428 6.370 6.106 162 HG2 ARG 25 2HG ARG 25 -7.765 5.268 4.729 163 HG3 ARG 25 1HG ARG 25 -7.356 4.578 6.313 164 HD2 ARG 25 2HD ARG 25 -7.866 7.499 5.645 165 HD3 ARG 25 1HD ARG 25 -8.999 6.435 6.477 166 HE ARG 25 HE ARG 25 -6.834 6.271 8.044 167 HH11 ARG 25 1HH1 ARG 25 -8.392 9.138 6.674 168 HH12 ARG 25 2HH1 ARG 25 -8.134 10.124 8.040 169 HH21 ARG 25 1HH2 ARG 25 -6.386 7.577 9.861 170 HH22 ARG 25 2HH2 ARG 25 -6.907 9.188 9.966 171 H ASP 26 H ASP 26 -7.384 7.638 2.815 172 HA ASP 26 HA ASP 26 -6.020 10.161 3.134 173 HB2 ASP 26 2HB ASP 26 -7.004 10.791 1.143 174 HB3 ASP 26 1HB ASP 26 -6.938 9.051 0.891 175 H LEU 27 H LEU 27 -7.895 11.744 2.860 176 HA LEU 27 HA LEU 27 -8.782 12.185 5.431 177 HB2 LEU 27 2HB LEU 27 -10.106 14.056 4.273 178 HB3 LEU 27 1HB LEU 27 -8.348 14.218 4.491 179 HG LEU 27 HG LEU 27 -9.579 13.191 1.925 180 HD11 LEU 27 1HD1 LEU 27 -9.146 16.092 2.695 181 HD12 LEU 27 2HD1 LEU 27 -10.717 15.322 2.456 182 HD13 LEU 27 3HD1 LEU 27 -9.614 15.518 1.095 183 HD21 LEU 27 3HD2 LEU 27 -7.117 13.051 2.173 184 HD22 LEU 27 1HD2 LEU 27 -7.071 14.781 2.503 185 HD23 LEU 27 2HD2 LEU 27 -7.577 14.197 0.921 186 H SER 28 H SER 28 -10.369 11.187 2.518 187 HA SER 28 HA SER 28 -13.015 11.492 3.391 188 HB2 SER 28 2HB SER 28 -11.817 9.893 1.171 189 HB3 SER 28 1HB SER 28 -13.499 10.483 1.228 190 HG SER 28 HG SER 28 -11.085 11.718 0.701 191 H GLY 29 H GLY 29 -10.527 9.376 3.963 192 HA2 GLY 29 2HA GLY 29 -10.372 7.702 5.206 193 HA3 GLY 29 1HA GLY 29 -12.138 7.555 5.397 194 H ARG 30 H ARG 30 -10.263 7.573 2.400 195 HA ARG 30 HA ARG 30 -11.065 4.816 1.940 196 HB2 ARG 30 2HB ARG 30 -10.624 7.145 0.092 197 HB3 ARG 30 1HB ARG 30 -10.369 5.516 -0.498 198 HG2 ARG 30 2HG ARG 30 -12.576 6.305 -1.099 199 HG3 ARG 30 1HG ARG 30 -12.693 4.958 0.019 200 HD2 ARG 30 2HD ARG 30 -13.128 6.556 1.852 201 HD3 ARG 30 1HD ARG 30 -13.043 7.885 0.693 202 HE ARG 30 HE ARG 30 -14.856 6.242 -0.396 203 HH11 ARG 30 1HH1 ARG 30 -14.671 7.812 2.795 204 HH12 ARG 30 2HH1 ARG 30 -16.326 7.814 3.079 205 HH21 ARG 30 1HH2 ARG 30 -17.210 6.248 -0.013 206 HH22 ARG 30 2HH2 ARG 30 -17.825 6.899 1.431 207 H CYS 31 H CYS 31 -9.505 3.483 0.918 208 HA CYS 31 HA CYS 31 -6.815 4.172 1.770 209 HB2 CYS 31 2HB CYS 31 -7.942 1.477 0.978 210 HB3 CYS 31 1HB CYS 31 -6.405 1.780 1.790 211 H VAL 32 H VAL 32 -5.704 5.087 0.238 212 HA VAL 32 HA VAL 32 -6.217 4.357 -2.434 213 HB VAL 32 HB VAL 32 -5.045 6.649 -2.934 214 HG11 VAL 32 1HG1 VAL 32 -7.834 6.401 -1.821 215 HG12 VAL 32 2HG1 VAL 32 -7.270 6.026 -3.459 216 HG13 VAL 32 3HG1 VAL 32 -7.243 7.702 -2.883 217 HG21 VAL 32 3HG2 VAL 32 -6.160 7.223 -0.165 218 HG22 VAL 32 1HG2 VAL 32 -5.274 8.312 -1.220 219 HG23 VAL 32 2HG2 VAL 32 -4.455 6.920 -0.468 220 HA PRO 33 HA PRO 33 -2.089 2.696 -2.705 221 HB2 PRO 33 2HB PRO 33 -1.666 3.188 -5.399 222 HB3 PRO 33 1HB PRO 33 -2.599 1.808 -4.782 223 HG2 PRO 33 2HG PRO 33 -3.592 4.400 -5.849 224 HG3 PRO 33 1HG PRO 33 -4.236 2.762 -6.080 225 HD2 PRO 33 2HD PRO 33 -5.402 4.457 -4.340 226 HD3 PRO 33 1HD PRO 33 -5.266 2.718 -4.011 227 H TYR 34 H TYR 34 -0.151 3.674 -2.090 228 HA TYR 34 HA TYR 34 0.060 6.458 -2.408 229 HB2 TYR 34 2HB TYR 34 1.100 6.098 -0.542 230 HB3 TYR 34 1HB TYR 34 1.524 4.416 -0.893 231 HD1 TYR 34 1HD TYR 34 2.643 8.046 -1.799 232 HD2 TYR 34 2HD TYR 34 3.797 3.923 -1.171 233 HE1 TYR 34 1HE TYR 34 4.818 8.610 -2.074 234 HE2 TYR 34 2HE TYR 34 6.108 4.624 -1.453 235 HH TYR 34 HH TYR 34 7.183 7.621 -1.266 236 H VAL 35 H VAL 35 0.873 7.654 -3.836 237 HA VAL 35 HA VAL 35 3.223 6.968 -5.198 238 HB VAL 35 HB VAL 35 1.522 8.609 -6.713 239 HG11 VAL 35 1HG1 VAL 35 3.502 7.775 -7.491 240 HG12 VAL 35 2HG1 VAL 35 2.219 7.297 -8.608 241 HG13 VAL 35 3HG1 VAL 35 2.923 6.106 -7.491 242 HG21 VAL 35 3HG2 VAL 35 -0.142 7.063 -7.658 243 HG22 VAL 35 1HG2 VAL 35 -0.324 7.247 -5.909 244 HG23 VAL 35 2HG2 VAL 35 0.431 5.788 -6.564 245 H ASP 36 H ASP 36 4.337 8.891 -5.064 246 HA ASP 36 HA ASP 36 2.869 11.300 -4.099 247 HB2 ASP 36 2HB ASP 36 4.949 11.965 -3.207 248 HB3 ASP 36 1HB ASP 36 4.677 10.304 -2.665 249 H ALA 37 H ALA 37 4.376 12.972 -4.603 250 HA ALA 37 HA ALA 37 2.870 13.400 -6.757 251 HB1 ALA 37 1HB ALA 37 3.618 15.702 -6.518 252 HB2 ALA 37 2HB ALA 37 4.983 15.046 -5.549 253 HB3 ALA 37 3HB ALA 37 3.315 14.770 -5.007 254 H GLU 38 H GLU 38 6.093 12.375 -6.258 255 HA GLU 38 HA GLU 38 7.185 13.073 -8.656 256 HB2 GLU 38 2HB GLU 38 7.888 11.394 -6.375 257 HB3 GLU 38 1HB GLU 38 9.068 11.695 -7.674 258 HG2 GLU 38 2HG GLU 38 7.870 13.626 -5.665 259 HG3 GLU 38 1HG GLU 38 9.559 13.155 -5.808 260 H GLN 39 H GLN 39 4.818 10.730 -7.753 261 HA GLN 39 HA GLN 39 3.927 9.119 -8.617 262 HB2 GLN 39 2HB GLN 39 5.883 9.834 -10.569 263 HB3 GLN 39 1HB GLN 39 4.826 8.428 -10.970 264 HG2 GLN 39 2HG GLN 39 2.908 9.968 -10.702 265 HG3 GLN 39 1HG GLN 39 4.027 11.258 -10.260 266 HE21 GLN 39 1HE2 GLN 39 5.240 12.221 -11.852 267 HE22 GLN 39 2HE2 GLN 39 4.886 12.038 -13.542 268 H LYS 40 H LYS 40 6.127 8.833 -6.743 269 HA LYS 40 HA LYS 40 7.375 6.327 -7.406 270 HB2 LYS 40 2HB LYS 40 7.247 7.916 -4.888 271 HB3 LYS 40 1HB LYS 40 8.204 6.434 -5.238 272 HG2 LYS 40 2HG LYS 40 9.580 7.574 -6.762 273 HG3 LYS 40 1HG LYS 40 8.310 8.808 -6.899 274 HD2 LYS 40 2HD LYS 40 10.589 9.406 -5.663 275 HD3 LYS 40 1HD LYS 40 9.051 10.040 -5.123 276 HE2 LYS 40 2HE LYS 40 10.205 7.533 -3.928 277 HE3 LYS 40 1HE LYS 40 10.720 9.126 -3.376 278 HZ1 LYS 40 3HZ LYS 40 8.002 7.919 -3.158 279 HZ2 LYS 40 1HZ LYS 40 8.242 9.573 -3.079 280 HZ3 LYS 40 2HZ LYS 40 8.918 8.569 -1.936 281 H ASN 41 H ASN 41 6.718 4.483 -6.733 282 HA ASN 41 HA ASN 41 4.225 4.318 -5.202 283 HB2 ASN 41 2HB ASN 41 4.134 3.923 -7.717 284 HB3 ASN 41 1HB ASN 41 5.223 2.585 -7.359 285 HD21 ASN 41 1HD2 ASN 41 2.429 3.426 -5.316 286 HD22 ASN 41 2HD2 ASN 41 1.564 1.980 -5.671 287 H LEU 42 H LEU 42 4.120 1.760 -4.695 288 HA LEU 42 HA LEU 42 6.652 0.502 -4.079 289 HB2 LEU 42 2HB LEU 42 4.742 1.315 -1.923 290 HB3 LEU 42 1HB LEU 42 6.010 0.136 -1.720 291 HG LEU 42 HG LEU 42 6.413 3.034 -2.325 292 HD11 LEU 42 1HD1 LEU 42 6.973 3.205 0.075 293 HD12 LEU 42 2HD1 LEU 42 6.686 1.470 0.255 294 HD13 LEU 42 3HD1 LEU 42 5.342 2.537 -0.138 295 HD21 LEU 42 3HD2 LEU 42 8.281 1.632 -3.061 296 HD22 LEU 42 1HD2 LEU 42 8.340 0.861 -1.475 297 HD23 LEU 42 2HD2 LEU 42 8.746 2.569 -1.641 298 H PHE 43 H PHE 43 6.384 -1.713 -3.776 299 HA PHE 43 HA PHE 43 3.769 -2.695 -3.910 300 HB2 PHE 43 2HB PHE 43 6.500 -3.788 -4.322 301 HB3 PHE 43 1HB PHE 43 5.066 -4.835 -4.424 302 HD1 PHE 43 2HD PHE 43 3.369 -4.213 -6.269 303 HD2 PHE 43 1HD PHE 43 7.322 -2.642 -6.129 304 HE1 PHE 43 2HE PHE 43 3.215 -3.608 -8.653 305 HE2 PHE 43 1HE PHE 43 7.170 -2.034 -8.505 306 HZ PHE 43 HZ PHE 43 5.116 -2.517 -9.769 307 H LEU 44 H LEU 44 3.187 -4.123 -2.064 308 HA LEU 44 HA LEU 44 4.536 -3.555 0.173 309 HB2 LEU 44 2HB LEU 44 2.021 -4.243 -0.148 310 HB3 LEU 44 1HB LEU 44 2.723 -5.859 -0.052 311 HG LEU 44 HG LEU 44 3.413 -5.568 2.206 312 HD11 LEU 44 1HD1 LEU 44 4.012 -3.210 2.171 313 HD12 LEU 44 2HD1 LEU 44 2.880 -3.546 3.478 314 HD13 LEU 44 3HD1 LEU 44 2.314 -2.769 2.001 315 HD21 LEU 44 3HD2 LEU 44 1.124 -6.315 1.816 316 HD22 LEU 44 1HD2 LEU 44 0.571 -4.639 1.805 317 HD23 LEU 44 2HD2 LEU 44 1.231 -5.341 3.282 318 H ARG 45 H ARG 45 5.021 -5.820 1.566 319 HA ARG 45 HA ARG 45 6.721 -7.354 -0.147 320 HB2 ARG 45 2HB ARG 45 6.902 -6.307 2.479 321 HB3 ARG 45 1HB ARG 45 7.983 -7.709 2.130 322 HG2 ARG 45 2HG ARG 45 8.756 -6.332 0.120 323 HG3 ARG 45 1HG ARG 45 7.851 -4.982 0.789 324 HD2 ARG 45 2HD ARG 45 9.271 -4.984 2.757 325 HD3 ARG 45 1HD ARG 45 10.130 -6.406 2.158 326 HE ARG 45 HE ARG 45 10.181 -4.435 0.210 327 HH11 ARG 45 1HH1 ARG 45 11.609 -5.037 3.391 328 HH12 ARG 45 2HH1 ARG 45 13.023 -4.135 3.127 329 HH21 ARG 45 1HH2 ARG 45 12.134 -3.173 -0.197 330 HH22 ARG 45 2HH2 ARG 45 13.333 -3.025 0.996 331 H LYS 46 H LYS 46 7.333 -9.544 0.702 332 HA LYS 46 HA LYS 46 4.990 -11.060 0.624 333 HB2 LYS 46 2HB LYS 46 7.102 -11.781 -0.427 334 HB3 LYS 46 1HB LYS 46 7.756 -12.140 1.166 335 HG2 LYS 46 2HG LYS 46 6.061 -13.840 1.514 336 HG3 LYS 46 1HG LYS 46 5.298 -13.449 -0.015 337 HD2 LYS 46 2HD LYS 46 7.454 -14.088 -1.137 338 HD3 LYS 46 1HD LYS 46 8.012 -14.676 0.433 339 HE2 LYS 46 2HE LYS 46 7.093 -16.518 -0.891 340 HE3 LYS 46 1HE LYS 46 6.100 -16.218 0.531 341 HZ1 LYS 46 3HZ LYS 46 5.473 -15.173 -2.192 342 HZ2 LYS 46 1HZ LYS 46 4.501 -15.039 -0.846 343 HZ3 LYS 46 2HZ LYS 46 4.674 -16.511 -1.465 344 H GLY 47 H GLY 47 3.908 -12.281 1.865 345 HA2 GLY 47 2HA GLY 47 3.124 -13.440 3.613 346 HA3 GLY 47 1HA GLY 47 4.631 -13.152 4.518 347 H LYS 48 H LYS 48 2.652 -10.662 3.070 348 HA LYS 48 HA LYS 48 1.872 -9.843 5.758 349 HB2 LYS 48 2HB LYS 48 2.499 -8.501 3.241 350 HB3 LYS 48 1HB LYS 48 1.341 -7.633 4.276 351 HG2 LYS 48 2HG LYS 48 3.681 -6.834 4.631 352 HG3 LYS 48 1HG LYS 48 3.061 -7.616 6.087 353 HD2 LYS 48 2HD LYS 48 4.161 -9.723 5.304 354 HD3 LYS 48 1HD LYS 48 4.896 -8.791 4.016 355 HE2 LYS 48 2HE LYS 48 6.183 -7.544 5.570 356 HE3 LYS 48 1HE LYS 48 5.276 -8.212 6.937 357 HZ1 LYS 48 3HZ LYS 48 7.451 -9.356 6.556 358 HZ2 LYS 48 1HZ LYS 48 6.847 -9.882 5.054 359 HZ3 LYS 48 2HZ LYS 48 6.097 -10.372 6.462 360 HA PRO 49 HA PRO 49 -2.279 -10.941 4.994 361 HB2 PRO 49 2HB PRO 49 -3.313 -8.434 6.131 362 HB3 PRO 49 1HB PRO 49 -3.455 -10.089 6.758 363 HG2 PRO 49 2HG PRO 49 -1.912 -8.297 7.967 364 HG3 PRO 49 1HG PRO 49 -1.466 -10.014 7.875 365 HD2 PRO 49 2HD PRO 49 -0.444 -7.727 6.246 366 HD3 PRO 49 1HD PRO 49 0.438 -9.088 6.974 367 H CYS 50 H CYS 50 -3.178 -10.979 3.059 368 HA CYS 50 HA CYS 50 -3.811 -8.492 1.760 369 HB2 CYS 50 2HB CYS 50 -3.223 -11.224 0.671 370 HB3 CYS 50 1HB CYS 50 -4.277 -10.134 -0.218 371 H THR 51 H THR 51 -5.746 -9.122 0.143 372 HA THR 51 HA THR 51 -8.126 -9.422 1.527 373 HB THR 51 HB THR 51 -8.759 -9.802 -1.022 374 HG1 THR 51 1HG THR 51 -6.472 -8.503 -1.694 375 HG21 THR 51 3HG2 THR 51 -8.895 -7.638 0.399 376 HG22 THR 51 1HG2 THR 51 -8.617 -7.441 -1.361 377 HG23 THR 51 2HG2 THR 51 -7.257 -7.360 -0.284 378 H VAL 52 H VAL 52 -6.522 -11.302 -0.807 379 HA VAL 52 HA VAL 52 -8.166 -13.645 -0.426 380 HB VAL 52 HB VAL 52 -6.970 -14.587 -2.373 381 HG11 VAL 52 1HG1 VAL 52 -7.782 -12.809 -3.963 382 HG12 VAL 52 2HG1 VAL 52 -8.078 -11.782 -2.543 383 HG13 VAL 52 3HG1 VAL 52 -8.949 -13.299 -2.735 384 HG21 VAL 52 3HG2 VAL 52 -5.361 -13.141 -3.621 385 HG22 VAL 52 1HG2 VAL 52 -4.743 -13.508 -2.014 386 HG23 VAL 52 2HG2 VAL 52 -5.463 -11.940 -2.363 387 H GLY 53 H GLY 53 -5.180 -12.719 0.899 388 HA2 GLY 53 2HA GLY 53 -4.853 -14.849 2.471 389 HA3 GLY 53 1HA GLY 53 -3.987 -15.277 0.984 390 H PHE 54 H PHE 54 -1.963 -14.578 0.783 391 HA PHE 54 HA PHE 54 -1.085 -12.507 2.668 392 HB2 PHE 54 2HB PHE 54 0.504 -14.873 1.631 393 HB3 PHE 54 1HB PHE 54 1.236 -13.567 2.558 394 HD1 PHE 54 2HD PHE 54 0.510 -13.194 4.906 395 HD2 PHE 54 1HD PHE 54 -0.634 -16.637 2.681 396 HE1 PHE 54 2HE PHE 54 -0.051 -14.355 7.001 397 HE2 PHE 54 1HE PHE 54 -1.201 -17.803 4.773 398 HZ PHE 54 HZ PHE 54 -0.908 -16.662 6.937 399 H CYS 55 H CYS 55 0.891 -11.442 1.883 400 HA CYS 55 HA CYS 55 0.465 -10.588 -0.891 401 HB2 CYS 55 2HB CYS 55 0.343 -8.932 0.979 402 HB3 CYS 55 1HB CYS 55 2.026 -9.308 1.343 403 H ASP 56 H ASP 56 2.169 -10.885 -2.390 404 HA ASP 56 HA ASP 56 4.518 -12.083 -1.213 405 HB2 ASP 56 2HB ASP 56 3.500 -13.362 -3.085 406 HB3 ASP 56 1HB ASP 56 3.684 -11.966 -4.142 407 H MET 57 H MET 57 6.714 -11.391 -2.526 408 HA MET 57 HA MET 57 7.187 -8.744 -1.837 409 HB2 MET 57 2HB MET 57 8.642 -10.704 -1.549 410 HB3 MET 57 1HB MET 57 8.699 -10.890 -3.291 411 HG2 MET 57 2HG MET 57 10.614 -9.891 -2.777 412 HG3 MET 57 1HG MET 57 9.509 -8.618 -3.364 413 HE1 MET 57 3HE MET 57 9.658 -10.325 0.219 414 HE2 MET 57 1HE MET 57 10.686 -9.195 1.095 415 HE3 MET 57 2HE MET 57 11.351 -10.139 -0.238 416 H ASN 58 H ASN 58 6.309 -10.562 -4.682 417 HA ASN 58 HA ASN 58 7.152 -8.798 -6.722 418 HB2 ASN 58 2HB ASN 58 6.566 -11.118 -7.185 419 HB3 ASN 58 1HB ASN 58 4.922 -10.849 -6.633 420 HD21 ASN 58 1HD2 ASN 58 7.206 -10.314 -9.184 421 HD22 ASN 58 2HD2 ASN 58 6.047 -9.833 -10.384 422 H GLY 59 H GLY 59 4.588 -8.650 -4.465 423 HA2 GLY 59 2HA GLY 59 3.307 -6.721 -4.105 424 HA3 GLY 59 1HA GLY 59 3.595 -6.254 -5.779 425 H LYS 60 H LYS 60 2.609 -9.445 -4.875 426 HA LYS 60 HA LYS 60 -0.243 -9.069 -5.665 427 HB2 LYS 60 2HB LYS 60 1.676 -11.088 -6.715 428 HB3 LYS 60 1HB LYS 60 -0.075 -11.163 -6.899 429 HG2 LYS 60 2HG LYS 60 -0.065 -9.104 -8.005 430 HG3 LYS 60 1HG LYS 60 1.707 -8.992 -7.998 431 HD2 LYS 60 2HD LYS 60 1.215 -9.851 -10.166 432 HD3 LYS 60 1HD LYS 60 1.579 -11.300 -9.229 433 HE2 LYS 60 2HE LYS 60 -0.400 -11.679 -10.555 434 HE3 LYS 60 1HE LYS 60 -0.854 -11.613 -8.853 435 HZ1 LYS 60 3HZ LYS 60 -1.120 -9.360 -10.778 436 HZ2 LYS 60 1HZ LYS 60 -1.555 -9.306 -9.171 437 HZ3 LYS 60 2HZ LYS 60 -2.409 -10.298 -10.201 438 H CYS 61 H CYS 61 -1.537 -10.359 -5.062 439 HA CYS 61 HA CYS 61 -0.839 -11.289 -2.438 440 HB2 CYS 61 2HB CYS 61 -3.181 -10.503 -3.958 441 HB3 CYS 61 1HB CYS 61 -3.476 -11.363 -2.400 442 H GLU 62 H GLU 62 -0.852 -13.339 -1.840 443 HA GLU 62 HA GLU 62 -1.376 -15.334 -3.816 444 HB2 GLU 62 2HB GLU 62 0.338 -16.675 -2.595 445 HB3 GLU 62 1HB GLU 62 0.962 -15.120 -3.129 446 HG2 GLU 62 2HG GLU 62 0.593 -14.265 -0.791 447 HG3 GLU 62 1HG GLU 62 0.222 -15.917 -0.322 Start of MODEL 18 1 H PHE 1 1HT PHE 1 5.810 4.263 6.093 2 HA PHE 1 HA PHE 1 5.768 3.367 4.090 3 HB2 PHE 1 2HB PHE 1 3.721 2.121 3.274 4 HB3 PHE 1 1HB PHE 1 4.877 1.197 4.230 5 HD1 PHE 1 1HD PHE 1 4.228 0.600 6.583 6 HD2 PHE 1 2HD PHE 1 1.486 2.369 3.853 7 HE1 PHE 1 1HE PHE 1 2.348 -0.198 7.954 8 HE2 PHE 1 2HE PHE 1 -0.380 1.583 5.204 9 HZ PHE 1 HZ PHE 1 0.039 0.296 7.267 10 H CYS 2 H CYS 2 2.890 4.521 5.732 11 HA CYS 2 HA CYS 2 2.966 6.638 3.753 12 HB2 CYS 2 2HB CYS 2 0.643 5.650 5.407 13 HB3 CYS 2 1HB CYS 2 0.584 7.089 4.398 14 H GLU 3 H GLU 3 3.075 5.747 7.034 15 HA GLU 3 HA GLU 3 2.376 7.930 8.532 16 HB2 GLU 3 2HB GLU 3 4.740 6.212 9.255 17 HB3 GLU 3 1HB GLU 3 3.593 6.983 10.327 18 HG2 GLU 3 2HG GLU 3 3.095 4.703 10.433 19 HG3 GLU 3 1HG GLU 3 1.864 5.375 9.355 20 H ARG 4 H ARG 4 5.710 7.150 7.637 21 HA ARG 4 HA ARG 4 6.393 9.782 8.409 22 HB2 ARG 4 2HB ARG 4 7.859 8.308 9.435 23 HB3 ARG 4 1HB ARG 4 7.961 7.273 8.034 24 HG2 ARG 4 2HG ARG 4 10.071 8.504 8.729 25 HG3 ARG 4 1HG ARG 4 9.623 8.610 7.036 26 HD2 ARG 4 2HD ARG 4 10.453 10.739 8.048 27 HD3 ARG 4 1HD ARG 4 8.873 10.844 7.292 28 HE ARG 4 HE ARG 4 9.158 10.546 10.196 29 HH11 ARG 4 1HH1 ARG 4 7.821 12.230 7.360 30 HH12 ARG 4 2HH1 ARG 4 7.084 13.478 8.233 31 HH21 ARG 4 1HH2 ARG 4 8.067 12.323 11.454 32 HH22 ARG 4 2HH2 ARG 4 7.224 13.525 10.587 33 H GLU 5 H GLU 5 6.426 7.710 5.660 34 HA GLU 5 HA GLU 5 7.853 9.223 3.903 35 HB2 GLU 5 2HB GLU 5 5.691 7.195 3.385 36 HB3 GLU 5 1HB GLU 5 6.914 7.723 2.235 37 HG2 GLU 5 2HG GLU 5 7.915 5.772 2.998 38 HG3 GLU 5 1HG GLU 5 8.547 6.981 4.126 39 H GLN 6 H GLN 6 4.324 9.412 4.638 40 HA GLN 6 HA GLN 6 4.200 11.698 2.751 41 HB2 GLN 6 2HB GLN 6 2.080 9.676 3.415 42 HB3 GLN 6 1HB GLN 6 1.880 11.072 2.374 43 HG2 GLN 6 2HG GLN 6 3.807 8.877 1.890 44 HG3 GLN 6 1HG GLN 6 2.136 8.894 1.267 45 HE21 GLN 6 1HE2 GLN 6 5.332 10.343 0.951 46 HE22 GLN 6 2HE2 GLN 6 4.987 11.154 -0.524 47 H GLN 7 H GLN 7 3.849 10.532 5.930 48 HA GLN 7 HA GLN 7 2.864 10.935 7.629 49 HB2 GLN 7 2HB GLN 7 2.796 13.743 6.580 50 HB3 GLN 7 1HB GLN 7 2.174 13.358 8.188 51 HG2 GLN 7 2HG GLN 7 4.285 12.386 8.803 52 HG3 GLN 7 1HG GLN 7 4.902 12.698 7.188 53 HE21 GLN 7 1HE2 GLN 7 2.869 14.974 8.844 54 HE22 GLN 7 2HE2 GLN 7 4.083 16.169 9.144 55 H LEU 8 H LEU 8 1.399 9.996 5.519 56 HA LEU 8 HA LEU 8 -1.398 10.765 6.008 57 HB2 LEU 8 2HB LEU 8 -0.061 9.034 3.957 58 HB3 LEU 8 1HB LEU 8 -1.795 9.074 4.229 59 HG LEU 8 HG LEU 8 -0.229 11.493 3.632 60 HD11 LEU 8 1HD1 LEU 8 -1.633 9.609 1.678 61 HD12 LEU 8 2HD1 LEU 8 0.107 9.889 1.744 62 HD13 LEU 8 3HD1 LEU 8 -0.977 11.182 1.222 63 HD21 LEU 8 3HD2 LEU 8 -3.150 10.822 3.340 64 HD22 LEU 8 1HD2 LEU 8 -2.416 12.340 2.829 65 HD23 LEU 8 2HD2 LEU 8 -2.416 11.894 4.533 66 H GLU 9 H GLU 9 -2.734 9.346 6.424 67 HA GLU 9 HA GLU 9 -1.932 7.418 8.434 68 HB2 GLU 9 2HB GLU 9 -4.076 8.791 8.486 69 HB3 GLU 9 1HB GLU 9 -4.605 7.744 7.167 70 HG2 GLU 9 2HG GLU 9 -4.443 5.809 8.648 71 HG3 GLU 9 1HG GLU 9 -4.009 6.889 9.980 72 H SER 10 H SER 10 -2.348 5.144 8.179 73 HA SER 10 HA SER 10 -1.814 4.189 5.569 74 HB2 SER 10 2HB SER 10 -1.377 2.252 6.845 75 HB3 SER 10 1HB SER 10 -0.662 3.786 7.513 76 HG SER 10 HG SER 10 -3.138 3.095 8.508 77 H CYS 11 H CYS 11 -3.078 2.479 4.645 78 HA CYS 11 HA CYS 11 -5.276 1.387 6.004 79 HB2 CYS 11 2HB CYS 11 -6.378 3.563 5.042 80 HB3 CYS 11 1HB CYS 11 -5.989 2.894 3.453 81 H ALA 12 H ALA 12 -6.458 -0.004 4.074 82 HA ALA 12 HA ALA 12 -4.271 -1.146 2.509 83 HB1 ALA 12 1HB ALA 12 -5.142 -3.391 3.060 84 HB2 ALA 12 2HB ALA 12 -6.302 -2.639 4.163 85 HB3 ALA 12 3HB ALA 12 -4.574 -2.530 4.495 86 H CYS 13 H CYS 13 -4.885 -1.621 0.436 87 HA CYS 13 HA CYS 13 -7.489 -0.826 -0.330 88 HB2 CYS 13 2HB CYS 13 -5.174 -2.012 -1.887 89 HB3 CYS 13 1HB CYS 13 -6.622 -1.357 -2.602 90 H ASN 14 H ASN 14 -9.188 -2.044 -0.426 91 HA ASN 14 HA ASN 14 -9.332 -4.681 0.511 92 HB2 ASN 14 2HB ASN 14 -11.172 -2.966 0.528 93 HB3 ASN 14 1HB ASN 14 -11.347 -3.253 -1.201 94 HD21 ASN 14 1HD2 ASN 14 -13.486 -3.986 -1.011 95 HD22 ASN 14 2HD2 ASN 14 -13.849 -5.518 -0.289 96 H GLU 15 H GLU 15 -8.767 -3.465 -2.642 97 HA GLU 15 HA GLU 15 -9.613 -5.633 -4.052 98 HB2 GLU 15 2HB GLU 15 -9.266 -3.303 -4.927 99 HB3 GLU 15 1HB GLU 15 -7.539 -3.573 -4.808 100 HG2 GLU 15 2HG GLU 15 -9.342 -5.192 -6.593 101 HG3 GLU 15 1HG GLU 15 -8.501 -3.732 -7.111 102 H THR 16 H THR 16 -8.277 -7.404 -4.838 103 HA THR 16 HA THR 16 -6.538 -8.544 -2.989 104 HB THR 16 HB THR 16 -7.141 -9.238 -5.843 105 HG1 THR 16 1HG THR 16 -8.877 -9.825 -4.800 106 HG21 THR 16 3HG2 THR 16 -5.647 -10.895 -3.782 107 HG22 THR 16 1HG2 THR 16 -4.914 -10.090 -5.175 108 HG23 THR 16 2HG2 THR 16 -6.075 -11.408 -5.416 109 H ASP 17 H ASP 17 -5.736 -7.049 -6.126 110 HA ASP 17 HA ASP 17 -3.044 -7.847 -5.823 111 HB2 ASP 17 2HB ASP 17 -4.039 -7.466 -8.030 112 HB3 ASP 17 1HB ASP 17 -4.260 -5.771 -7.553 113 H ASN 18 H ASN 18 -4.952 -4.944 -5.239 114 HA ASN 18 HA ASN 18 -2.685 -3.428 -4.561 115 HB2 ASN 18 2HB ASN 18 -5.608 -2.826 -4.566 116 HB3 ASN 18 1HB ASN 18 -4.445 -1.717 -3.853 117 HD21 ASN 18 1HD2 ASN 18 -5.398 -3.320 -6.857 118 HD22 ASN 18 2HD2 ASN 18 -4.617 -2.193 -7.895 119 H SER 19 H SER 19 -4.243 -5.733 -2.923 120 HA SER 19 HA SER 19 -3.855 -4.436 -0.430 121 HB2 SER 19 2HB SER 19 -4.225 -6.710 0.686 122 HB3 SER 19 1HB SER 19 -5.540 -6.152 -0.346 123 HG SER 19 HG SER 19 -4.336 -7.567 -1.980 124 H CYS 20 H CYS 20 -1.605 -5.399 -2.570 125 HA CYS 20 HA CYS 20 0.320 -5.505 -0.371 126 HB2 CYS 20 2HB CYS 20 0.526 -7.409 -2.097 127 HB3 CYS 20 1HB CYS 20 1.163 -6.211 -3.223 128 H LYS 21 H LYS 21 -1.126 -3.226 -1.978 129 HA LYS 21 HA LYS 21 1.327 -1.655 -2.275 130 HB2 LYS 21 2HB LYS 21 -1.446 -1.335 -3.389 131 HB3 LYS 21 1HB LYS 21 -0.339 0.018 -3.226 132 HG2 LYS 21 2HG LYS 21 -0.136 -0.648 -5.454 133 HG3 LYS 21 1HG LYS 21 1.257 -1.338 -4.612 134 HD2 LYS 21 2HD LYS 21 0.076 -3.517 -4.529 135 HD3 LYS 21 1HD LYS 21 -1.240 -2.755 -5.444 136 HE2 LYS 21 2HE LYS 21 0.240 -2.274 -7.278 137 HE3 LYS 21 1HE LYS 21 1.591 -2.979 -6.397 138 HZ1 LYS 21 3HZ LYS 21 -0.816 -4.430 -7.409 139 HZ2 LYS 21 1HZ LYS 21 0.359 -5.125 -6.436 140 HZ3 LYS 21 2HZ LYS 21 0.732 -4.568 -7.969 141 H VAL 22 H VAL 22 1.621 -0.016 -1.608 142 HA VAL 22 HA VAL 22 0.887 0.255 1.079 143 HB VAL 22 HB VAL 22 2.537 1.901 -0.805 144 HG11 VAL 22 1HG1 VAL 22 1.701 3.305 0.795 145 HG12 VAL 22 2HG1 VAL 22 3.375 2.951 1.321 146 HG13 VAL 22 3HG1 VAL 22 1.957 2.147 2.085 147 HG21 VAL 22 3HG2 VAL 22 3.303 -0.106 1.350 148 HG22 VAL 22 1HG2 VAL 22 4.430 0.801 0.334 149 HG23 VAL 22 2HG2 VAL 22 3.303 -0.389 -0.360 150 H CYS 23 H CYS 23 -0.987 0.811 1.276 151 HA CYS 23 HA CYS 23 -2.066 3.046 -0.289 152 HB2 CYS 23 2HB CYS 23 -3.755 1.336 1.495 153 HB3 CYS 23 1HB CYS 23 -4.178 2.420 0.151 154 H CYS 24 H CYS 24 -2.698 4.885 0.586 155 HA CYS 24 HA CYS 24 -2.189 5.254 3.429 156 HB2 CYS 24 2HB CYS 24 -2.174 7.238 1.137 157 HB3 CYS 24 1HB CYS 24 -1.760 7.592 2.804 158 H ARG 25 H ARG 25 -3.728 7.238 4.162 159 HA ARG 25 HA ARG 25 -6.298 6.739 2.899 160 HB2 ARG 25 2HB ARG 25 -5.763 5.691 5.207 161 HB3 ARG 25 1HB ARG 25 -5.850 7.342 5.788 162 HG2 ARG 25 2HG ARG 25 -8.090 6.302 4.203 163 HG3 ARG 25 1HG ARG 25 -7.937 5.738 5.873 164 HD2 ARG 25 2HD ARG 25 -8.110 8.628 4.929 165 HD3 ARG 25 1HD ARG 25 -9.441 7.710 5.640 166 HE ARG 25 HE ARG 25 -7.555 7.529 7.535 167 HH11 ARG 25 1HH1 ARG 25 -8.703 10.383 5.784 168 HH12 ARG 25 2HH1 ARG 25 -8.616 11.433 7.124 169 HH21 ARG 25 1HH2 ARG 25 -7.331 8.920 9.327 170 HH22 ARG 25 2HH2 ARG 25 -7.770 10.556 9.268 171 H ASP 26 H ASP 26 -7.320 8.545 2.265 172 HA ASP 26 HA ASP 26 -5.779 10.990 2.476 173 HB2 ASP 26 2HB ASP 26 -6.753 11.579 0.428 174 HB3 ASP 26 1HB ASP 26 -6.540 9.833 0.277 175 H LEU 27 H LEU 27 -7.506 12.654 1.904 176 HA LEU 27 HA LEU 27 -8.582 13.342 4.336 177 HB2 LEU 27 2HB LEU 27 -9.616 15.240 2.906 178 HB3 LEU 27 1HB LEU 27 -7.928 15.316 3.462 179 HG LEU 27 HG LEU 27 -7.488 14.327 1.056 180 HD11 LEU 27 1HD1 LEU 27 -9.113 14.984 -0.632 181 HD12 LEU 27 2HD1 LEU 27 -10.237 15.480 0.635 182 HD13 LEU 27 3HD1 LEU 27 -9.774 13.786 0.479 183 HD21 LEU 27 3HD2 LEU 27 -6.793 16.543 1.732 184 HD22 LEU 27 1HD2 LEU 27 -8.415 17.168 1.430 185 HD23 LEU 27 2HD2 LEU 27 -7.434 16.576 0.089 186 H SER 28 H SER 28 -10.111 12.254 1.447 187 HA SER 28 HA SER 28 -12.717 12.845 2.343 188 HB2 SER 28 2HB SER 28 -12.263 12.811 -0.062 189 HB3 SER 28 1HB SER 28 -11.764 11.124 0.031 190 HG SER 28 HG SER 28 -14.081 11.182 1.111 191 H GLY 29 H GLY 29 -10.416 10.543 2.924 192 HA2 GLY 29 2HA GLY 29 -10.374 8.973 4.315 193 HA3 GLY 29 1HA GLY 29 -12.135 9.023 4.580 194 H ARG 30 H ARG 30 -9.969 8.380 1.799 195 HA ARG 30 HA ARG 30 -11.314 5.813 1.404 196 HB2 ARG 30 2HB ARG 30 -9.842 7.451 -0.678 197 HB3 ARG 30 1HB ARG 30 -10.886 6.066 -0.949 198 HG2 ARG 30 2HG ARG 30 -11.735 8.813 -0.053 199 HG3 ARG 30 1HG ARG 30 -12.003 8.090 -1.640 200 HD2 ARG 30 2HD ARG 30 -13.486 6.463 -0.718 201 HD3 ARG 30 1HD ARG 30 -13.062 6.934 0.927 202 HE ARG 30 HE ARG 30 -14.365 8.792 -0.913 203 HH11 ARG 30 1HH1 ARG 30 -14.169 7.232 2.272 204 HH12 ARG 30 2HH1 ARG 30 -15.547 7.973 2.910 205 HH21 ARG 30 1HH2 ARG 30 -16.274 9.869 -0.031 206 HH22 ARG 30 2HH2 ARG 30 -16.798 9.524 1.554 207 H CYS 31 H CYS 31 -9.836 4.170 0.627 208 HA CYS 31 HA CYS 31 -7.169 4.555 1.709 209 HB2 CYS 31 2HB CYS 31 -8.540 2.012 0.805 210 HB3 CYS 31 1HB CYS 31 -7.052 2.127 1.748 211 H VAL 32 H VAL 32 -5.798 5.290 0.281 212 HA VAL 32 HA VAL 32 -6.246 4.606 -2.409 213 HB VAL 32 HB VAL 32 -4.914 6.809 -2.877 214 HG11 VAL 32 1HG1 VAL 32 -7.138 6.330 -3.522 215 HG12 VAL 32 2HG1 VAL 32 -7.055 8.003 -2.927 216 HG13 VAL 32 3HG1 VAL 32 -7.774 6.727 -1.922 217 HG21 VAL 32 3HG2 VAL 32 -5.266 8.539 -1.144 218 HG22 VAL 32 1HG2 VAL 32 -4.349 7.169 -0.493 219 HG23 VAL 32 2HG2 VAL 32 -6.064 7.355 -0.122 220 HA PRO 33 HA PRO 33 -2.179 2.852 -2.375 221 HB2 PRO 33 2HB PRO 33 -1.713 2.955 -5.077 222 HB3 PRO 33 1HB PRO 33 -2.762 1.730 -4.331 223 HG2 PRO 33 2HG PRO 33 -3.534 4.239 -5.727 224 HG3 PRO 33 1HG PRO 33 -4.279 2.628 -5.804 225 HD2 PRO 33 2HD PRO 33 -5.357 4.600 -4.284 226 HD3 PRO 33 1HD PRO 33 -5.401 2.890 -3.813 227 H TYR 34 H TYR 34 -0.341 3.892 -1.844 228 HA TYR 34 HA TYR 34 0.362 6.526 -2.071 229 HB2 TYR 34 2HB TYR 34 1.538 4.657 -0.850 230 HB3 TYR 34 1HB TYR 34 2.150 4.226 -2.455 231 HD1 TYR 34 1HD TYR 34 3.484 6.526 -3.669 232 HD2 TYR 34 2HD TYR 34 3.129 5.550 0.484 233 HE1 TYR 34 1HE TYR 34 5.324 7.718 -3.286 234 HE2 TYR 34 2HE TYR 34 5.178 6.847 0.880 235 HH TYR 34 HH TYR 34 6.596 8.851 -1.642 236 H VAL 35 H VAL 35 0.984 7.765 -3.690 237 HA VAL 35 HA VAL 35 2.565 6.702 -5.781 238 HB VAL 35 HB VAL 35 1.121 8.949 -6.597 239 HG11 VAL 35 1HG1 VAL 35 1.409 6.243 -7.862 240 HG12 VAL 35 2HG1 VAL 35 2.508 7.607 -7.909 241 HG13 VAL 35 3HG1 VAL 35 0.941 7.748 -8.699 242 HG21 VAL 35 3HG2 VAL 35 -1.115 8.046 -7.085 243 HG22 VAL 35 1HG2 VAL 35 -0.760 8.013 -5.354 244 HG23 VAL 35 2HG2 VAL 35 -0.666 6.521 -6.300 245 H ASP 36 H ASP 36 4.145 7.979 -6.104 246 HA ASP 36 HA ASP 36 4.457 10.452 -4.517 247 HB2 ASP 36 2HB ASP 36 5.925 8.192 -4.871 248 HB3 ASP 36 1HB ASP 36 6.441 9.189 -6.222 249 H ALA 37 H ALA 37 6.020 11.615 -5.757 250 HA ALA 37 HA ALA 37 3.985 13.136 -6.491 251 HB1 ALA 37 1HB ALA 37 5.878 13.630 -5.374 252 HB2 ALA 37 2HB ALA 37 5.577 14.878 -6.641 253 HB3 ALA 37 3HB ALA 37 6.870 13.633 -6.834 254 H GLU 38 H GLU 38 6.247 11.276 -8.541 255 HA GLU 38 HA GLU 38 5.151 12.444 -10.806 256 HB2 GLU 38 2HB GLU 38 7.234 12.133 -11.737 257 HB3 GLU 38 1HB GLU 38 7.185 12.443 -9.953 258 HG2 GLU 38 2HG GLU 38 7.370 9.685 -10.562 259 HG3 GLU 38 1HG GLU 38 8.881 10.544 -10.979 260 H GLN 39 H GLN 39 4.071 10.375 -9.054 261 HA GLN 39 HA GLN 39 2.801 8.812 -9.139 262 HB2 GLN 39 2HB GLN 39 3.558 8.992 -11.829 263 HB3 GLN 39 1HB GLN 39 2.482 7.592 -11.442 264 HG2 GLN 39 2HG GLN 39 0.938 9.291 -10.462 265 HG3 GLN 39 1HG GLN 39 2.086 10.537 -10.947 266 HE21 GLN 39 1HE2 GLN 39 1.407 7.785 -12.964 267 HE22 GLN 39 2HE2 GLN 39 0.521 8.650 -14.179 268 H LYS 40 H LYS 40 5.570 8.295 -8.268 269 HA LYS 40 HA LYS 40 6.111 5.558 -8.963 270 HB2 LYS 40 2HB LYS 40 6.890 7.190 -6.609 271 HB3 LYS 40 1HB LYS 40 7.505 5.551 -6.951 272 HG2 LYS 40 2HG LYS 40 8.366 6.530 -9.069 273 HG3 LYS 40 1HG LYS 40 7.891 8.109 -8.392 274 HD2 LYS 40 2HD LYS 40 9.911 6.195 -7.141 275 HD3 LYS 40 1HD LYS 40 10.335 7.652 -8.027 276 HE2 LYS 40 2HE LYS 40 8.712 7.600 -5.463 277 HE3 LYS 40 1HE LYS 40 10.438 7.917 -5.547 278 HZ1 LYS 40 3HZ LYS 40 8.377 9.549 -6.920 279 HZ2 LYS 40 1HZ LYS 40 9.949 9.955 -6.837 280 HZ3 LYS 40 2HZ LYS 40 8.934 10.008 -5.469 281 H ASN 41 H ASN 41 5.515 3.819 -7.824 282 HA ASN 41 HA ASN 41 3.480 4.197 -5.742 283 HB2 ASN 41 2HB ASN 41 2.900 2.987 -7.915 284 HB3 ASN 41 1HB ASN 41 4.141 1.848 -7.385 285 HD21 ASN 41 1HD2 ASN 41 1.015 3.167 -6.365 286 HD22 ASN 41 2HD2 ASN 41 0.497 1.737 -5.558 287 H LEU 42 H LEU 42 3.541 2.092 -4.380 288 HA LEU 42 HA LEU 42 6.279 1.356 -3.628 289 HB2 LEU 42 2HB LEU 42 4.209 2.269 -1.636 290 HB3 LEU 42 1HB LEU 42 5.707 1.490 -1.224 291 HG LEU 42 HG LEU 42 5.272 4.327 -2.191 292 HD11 LEU 42 1HD1 LEU 42 6.469 3.212 0.363 293 HD12 LEU 42 2HD1 LEU 42 4.777 3.682 0.112 294 HD13 LEU 42 3HD1 LEU 42 5.973 4.902 0.027 295 HD21 LEU 42 3HD2 LEU 42 7.694 4.596 -2.037 296 HD22 LEU 42 1HD2 LEU 42 7.318 3.383 -3.259 297 HD23 LEU 42 2HD2 LEU 42 7.892 2.883 -1.664 298 H PHE 43 H PHE 43 6.364 -0.834 -3.401 299 HA PHE 43 HA PHE 43 3.967 -2.227 -3.109 300 HB2 PHE 43 2HB PHE 43 6.787 -2.911 -3.690 301 HB3 PHE 43 1HB PHE 43 5.569 -4.192 -3.504 302 HD1 PHE 43 2HD PHE 43 3.682 -4.225 -5.176 303 HD2 PHE 43 1HD PHE 43 7.091 -1.736 -5.668 304 HE1 PHE 43 2HE PHE 43 3.150 -3.972 -7.568 305 HE2 PHE 43 1HE PHE 43 6.563 -1.474 -8.056 306 HZ PHE 43 HZ PHE 43 4.589 -2.594 -9.008 307 H LEU 44 H LEU 44 3.545 -3.399 -1.156 308 HA LEU 44 HA LEU 44 4.896 -2.722 1.038 309 HB2 LEU 44 2HB LEU 44 2.746 -4.700 0.496 310 HB3 LEU 44 1HB LEU 44 3.485 -4.668 2.083 311 HG LEU 44 HG LEU 44 2.166 -2.259 0.799 312 HD11 LEU 44 1HD1 LEU 44 0.555 -4.099 1.258 313 HD12 LEU 44 2HD1 LEU 44 0.316 -2.686 2.289 314 HD13 LEU 44 3HD1 LEU 44 1.140 -4.108 2.928 315 HD21 LEU 44 3HD2 LEU 44 3.872 -1.739 2.501 316 HD22 LEU 44 1HD2 LEU 44 3.057 -2.820 3.627 317 HD23 LEU 44 2HD2 LEU 44 2.247 -1.359 3.067 318 H ARG 45 H ARG 45 5.327 -4.921 2.601 319 HA ARG 45 HA ARG 45 7.558 -6.210 1.427 320 HB2 ARG 45 2HB ARG 45 6.328 -6.030 4.038 321 HB3 ARG 45 1HB ARG 45 7.328 -7.477 3.762 322 HG2 ARG 45 2HG ARG 45 8.718 -5.869 4.875 323 HG3 ARG 45 1HG ARG 45 9.211 -5.860 3.193 324 HD2 ARG 45 2HD ARG 45 7.310 -3.837 4.385 325 HD3 ARG 45 1HD ARG 45 9.052 -3.616 4.351 326 HE ARG 45 HE ARG 45 7.620 -4.054 1.834 327 HH11 ARG 45 1HH1 ARG 45 9.493 -1.868 3.923 328 HH12 ARG 45 2HH1 ARG 45 9.648 -0.635 2.769 329 HH21 ARG 45 1HH2 ARG 45 7.791 -2.293 0.217 330 HH22 ARG 45 2HH2 ARG 45 8.648 -0.897 0.603 331 H LYS 46 H LYS 46 7.811 -8.626 1.673 332 HA LYS 46 HA LYS 46 5.445 -9.879 0.564 333 HB2 LYS 46 2HB LYS 46 6.959 -11.722 -0.181 334 HB3 LYS 46 1HB LYS 46 7.464 -10.158 -0.783 335 HG2 LYS 46 2HG LYS 46 9.478 -11.100 -0.194 336 HG3 LYS 46 1HG LYS 46 9.084 -10.218 1.278 337 HD2 LYS 46 2HD LYS 46 9.464 -12.168 2.338 338 HD3 LYS 46 1HD LYS 46 7.896 -12.663 1.710 339 HE2 LYS 46 2HE LYS 46 10.582 -13.178 0.405 340 HE3 LYS 46 1HE LYS 46 9.624 -14.360 1.278 341 HZ1 LYS 46 3HZ LYS 46 7.896 -14.155 -0.516 342 HZ2 LYS 46 1HZ LYS 46 9.356 -14.630 -1.122 343 HZ3 LYS 46 2HZ LYS 46 8.809 -13.081 -1.326 344 H GLY 47 H GLY 47 4.555 -11.754 1.284 345 HA2 GLY 47 2HA GLY 47 3.905 -13.343 2.776 346 HA3 GLY 47 1HA GLY 47 5.251 -12.907 3.866 347 H LYS 48 H LYS 48 3.564 -10.263 2.771 348 HA LYS 48 HA LYS 48 2.327 -9.777 5.318 349 HB2 LYS 48 2HB LYS 48 3.440 -8.184 3.589 350 HB3 LYS 48 1HB LYS 48 1.903 -8.226 2.777 351 HG2 LYS 48 2HG LYS 48 2.302 -7.293 5.635 352 HG3 LYS 48 1HG LYS 48 2.200 -6.227 4.250 353 HD2 LYS 48 2HD LYS 48 -0.041 -8.105 5.010 354 HD3 LYS 48 1HD LYS 48 0.115 -6.510 5.729 355 HE2 LYS 48 2HE LYS 48 -1.468 -6.339 3.952 356 HE3 LYS 48 1HE LYS 48 -0.007 -5.551 3.397 357 HZ1 LYS 48 3HZ LYS 48 -0.975 -8.251 2.658 358 HZ2 LYS 48 1HZ LYS 48 0.479 -7.593 2.078 359 HZ3 LYS 48 2HZ LYS 48 -0.994 -6.881 1.678 360 HA PRO 49 HA PRO 49 -1.368 -12.200 4.131 361 HB2 PRO 49 2HB PRO 49 -2.498 -10.481 6.301 362 HB3 PRO 49 1HB PRO 49 -2.615 -12.242 6.094 363 HG2 PRO 49 2HG PRO 49 -0.996 -11.264 7.904 364 HG3 PRO 49 1HG PRO 49 -0.501 -12.639 6.896 365 HD2 PRO 49 2HD PRO 49 0.365 -9.797 6.733 366 HD3 PRO 49 1HD PRO 49 1.280 -11.287 6.428 367 H CYS 50 H CYS 50 -3.134 -11.779 2.865 368 HA CYS 50 HA CYS 50 -3.803 -9.006 2.424 369 HB2 CYS 50 2HB CYS 50 -3.412 -11.132 0.347 370 HB3 CYS 50 1HB CYS 50 -3.992 -9.489 0.067 371 H THR 51 H THR 51 -5.681 -9.466 0.424 372 HA THR 51 HA THR 51 -8.058 -10.060 1.597 373 HB THR 51 HB THR 51 -8.776 -10.209 -0.850 374 HG1 THR 51 1HG THR 51 -7.309 -10.206 -2.378 375 HG21 THR 51 3HG2 THR 51 -6.806 -8.023 -0.261 376 HG22 THR 51 1HG2 THR 51 -8.467 -8.006 0.360 377 HG23 THR 51 2HG2 THR 51 -8.142 -7.939 -1.388 378 H VAL 52 H VAL 52 -6.130 -11.876 -0.565 379 HA VAL 52 HA VAL 52 -7.739 -14.279 -0.179 380 HB VAL 52 HB VAL 52 -6.801 -15.034 -2.337 381 HG11 VAL 52 1HG1 VAL 52 -8.913 -13.862 -2.313 382 HG12 VAL 52 2HG1 VAL 52 -7.989 -13.267 -3.700 383 HG13 VAL 52 3HG1 VAL 52 -8.103 -12.303 -2.221 384 HG21 VAL 52 3HG2 VAL 52 -4.644 -13.878 -2.348 385 HG22 VAL 52 1HG2 VAL 52 -5.417 -12.299 -2.358 386 HG23 VAL 52 2HG2 VAL 52 -5.582 -13.351 -3.739 387 H GLY 53 H GLY 53 -4.362 -13.420 -0.285 388 HA2 GLY 53 2HA GLY 53 -3.757 -15.713 1.393 389 HA3 GLY 53 1HA GLY 53 -2.977 -15.584 -0.191 390 H PHE 54 H PHE 54 -1.002 -14.724 -0.157 391 HA PHE 54 HA PHE 54 -0.478 -12.646 1.856 392 HB2 PHE 54 2HB PHE 54 1.365 -14.881 1.001 393 HB3 PHE 54 1HB PHE 54 1.875 -13.541 2.022 394 HD1 PHE 54 1HD PHE 54 0.885 -13.347 4.319 395 HD2 PHE 54 2HD PHE 54 0.271 -16.771 1.867 396 HE1 PHE 54 1HE PHE 54 0.217 -14.644 6.300 397 HE2 PHE 54 2HE PHE 54 -0.402 -18.071 3.842 398 HZ PHE 54 HZ PHE 54 -0.427 -17.006 6.063 399 H CYS 55 H CYS 55 1.170 -11.227 1.153 400 HA CYS 55 HA CYS 55 1.150 -10.906 -1.745 401 HB2 CYS 55 2HB CYS 55 0.906 -8.849 -0.628 402 HB3 CYS 55 1HB CYS 55 2.222 -9.214 0.488 403 H ASP 56 H ASP 56 2.833 -11.543 -3.028 404 HA ASP 56 HA ASP 56 5.284 -11.730 -1.473 405 HB2 ASP 56 2HB ASP 56 4.292 -13.938 -2.506 406 HB3 ASP 56 1HB ASP 56 5.103 -13.372 -3.970 407 H MET 57 H MET 57 7.074 -12.074 -3.783 408 HA MET 57 HA MET 57 7.905 -9.560 -4.143 409 HB2 MET 57 2HB MET 57 9.042 -11.759 -4.346 410 HB3 MET 57 1HB MET 57 8.311 -11.922 -5.935 411 HG2 MET 57 2HG MET 57 9.355 -9.873 -6.597 412 HG3 MET 57 1HG MET 57 10.061 -9.809 -4.961 413 HE1 MET 57 3HE MET 57 13.157 -10.707 -7.337 414 HE2 MET 57 1HE MET 57 12.513 -9.524 -6.199 415 HE3 MET 57 2HE MET 57 11.770 -9.711 -7.787 416 H ASN 58 H ASN 58 5.202 -10.923 -5.717 417 HA ASN 58 HA ASN 58 5.522 -9.472 -8.202 418 HB2 ASN 58 2HB ASN 58 4.406 -11.756 -7.970 419 HB3 ASN 58 1HB ASN 58 3.059 -10.925 -7.207 420 HD21 ASN 58 1HD2 ASN 58 4.745 -11.539 -10.117 421 HD22 ASN 58 2HD2 ASN 58 3.588 -10.875 -11.219 422 H GLY 59 H GLY 59 4.411 -8.756 -5.039 423 HA2 GLY 59 2HA GLY 59 3.176 -6.891 -4.141 424 HA3 GLY 59 1HA GLY 59 3.350 -6.164 -5.760 425 H LYS 60 H LYS 60 2.115 -9.212 -4.966 426 HA LYS 60 HA LYS 60 -0.698 -8.496 -5.405 427 HB2 LYS 60 2HB LYS 60 0.529 -9.332 -7.575 428 HB3 LYS 60 1HB LYS 60 0.769 -10.786 -6.603 429 HG2 LYS 60 2HG LYS 60 -1.565 -11.246 -6.524 430 HG3 LYS 60 1HG LYS 60 -1.963 -9.682 -7.236 431 HD2 LYS 60 2HD LYS 60 -0.247 -11.646 -8.723 432 HD3 LYS 60 1HD LYS 60 -1.998 -11.821 -8.724 433 HE2 LYS 60 2HE LYS 60 -1.130 -10.589 -10.705 434 HE3 LYS 60 1HE LYS 60 -2.272 -9.655 -9.754 435 HZ1 LYS 60 3HZ LYS 60 -0.301 -8.391 -10.519 436 HZ2 LYS 60 1HZ LYS 60 0.686 -9.343 -9.519 437 HZ3 LYS 60 2HZ LYS 60 -0.557 -8.344 -8.886 438 H CYS 61 H CYS 61 -1.833 -10.292 -4.872 439 HA CYS 61 HA CYS 61 -0.641 -11.406 -2.511 440 HB2 CYS 61 2HB CYS 61 -3.087 -10.036 -3.152 441 HB3 CYS 61 1HB CYS 61 -3.122 -11.056 -1.677 442 H GLU 62 H GLU 62 -0.620 -13.446 -2.555 443 HA GLU 62 HA GLU 62 -2.190 -14.888 -4.465 444 HB2 GLU 62 2HB GLU 62 0.765 -15.135 -3.765 445 HB3 GLU 62 1HB GLU 62 -0.086 -16.030 -5.027 446 HG2 GLU 62 2HG GLU 62 -0.445 -14.039 -6.325 447 HG3 GLU 62 1HG GLU 62 0.071 -13.047 -4.973 Start of MODEL 19 1 H PHE 1 1HT PHE 1 5.730 5.397 6.668 2 HA PHE 1 HA PHE 1 7.026 5.822 4.782 3 HB2 PHE 1 2HB PHE 1 4.798 4.706 3.075 4 HB3 PHE 1 1HB PHE 1 6.416 5.167 2.579 5 HD1 PHE 1 2HD PHE 1 8.346 3.744 3.736 6 HD2 PHE 1 1HD PHE 1 4.304 2.567 3.284 7 HE1 PHE 1 2HE PHE 1 9.034 1.389 3.967 8 HE2 PHE 1 1HE PHE 1 4.964 0.179 3.533 9 HZ PHE 1 HZ PHE 1 7.338 -0.399 3.867 10 H CYS 2 H CYS 2 3.507 5.632 4.261 11 HA CYS 2 HA CYS 2 2.819 7.886 3.018 12 HB2 CYS 2 2HB CYS 2 1.334 6.741 5.369 13 HB3 CYS 2 1HB CYS 2 0.655 7.656 4.027 14 H GLU 3 H GLU 3 3.490 7.644 6.441 15 HA GLU 3 HA GLU 3 2.536 9.915 7.574 16 HB2 GLU 3 2HB GLU 3 5.323 8.972 8.219 17 HB3 GLU 3 1HB GLU 3 4.149 9.694 9.296 18 HG2 GLU 3 2HG GLU 3 4.308 7.436 9.910 19 HG3 GLU 3 1HG GLU 3 2.792 7.570 9.005 20 H ARG 4 H ARG 4 5.892 9.724 6.375 21 HA ARG 4 HA ARG 4 5.924 12.528 6.529 22 HB2 ARG 4 2HB ARG 4 8.241 12.472 6.433 23 HB3 ARG 4 1HB ARG 4 7.959 10.803 6.870 24 HG2 ARG 4 2HG ARG 4 9.573 10.665 5.186 25 HG3 ARG 4 1HG ARG 4 8.074 10.341 4.320 26 HD2 ARG 4 2HD ARG 4 8.246 13.071 4.096 27 HD3 ARG 4 1HD ARG 4 9.952 12.614 4.061 28 HE ARG 4 HE ARG 4 8.986 10.896 2.333 29 HH11 ARG 4 1HH1 ARG 4 8.117 14.352 2.539 30 HH12 ARG 4 2HH1 ARG 4 7.672 14.433 0.883 31 HH21 ARG 4 1HH2 ARG 4 8.315 11.073 0.168 32 HH22 ARG 4 2HH2 ARG 4 7.758 12.506 -0.530 33 H GLU 5 H GLU 5 5.513 10.117 4.087 34 HA GLU 5 HA GLU 5 6.287 11.536 1.816 35 HB2 GLU 5 2HB GLU 5 4.242 9.333 1.996 36 HB3 GLU 5 1HB GLU 5 4.988 9.906 0.518 37 HG2 GLU 5 2HG GLU 5 6.355 8.487 2.804 38 HG3 GLU 5 1HG GLU 5 5.980 7.818 1.224 39 H GLN 6 H GLN 6 2.983 11.179 3.197 40 HA GLN 6 HA GLN 6 2.123 13.398 1.432 41 HB2 GLN 6 2HB GLN 6 0.594 10.910 2.149 42 HB3 GLN 6 1HB GLN 6 0.014 12.228 1.149 43 HG2 GLN 6 2HG GLN 6 2.363 10.511 0.483 44 HG3 GLN 6 1HG GLN 6 0.676 10.170 -0.002 45 HE21 GLN 6 1HE2 GLN 6 3.411 12.394 -0.430 46 HE22 GLN 6 2HE2 GLN 6 2.868 13.070 -1.883 47 H GLN 7 H GLN 7 2.732 12.431 4.487 48 HA GLN 7 HA GLN 7 2.082 12.698 6.423 49 HB2 GLN 7 2HB GLN 7 0.339 14.923 5.328 50 HB3 GLN 7 1HB GLN 7 0.599 14.675 7.049 51 HG2 GLN 7 2HG GLN 7 2.911 14.936 5.234 52 HG3 GLN 7 1HG GLN 7 2.052 16.410 5.707 53 HE21 GLN 7 1HE2 GLN 7 2.606 13.587 7.804 54 HE22 GLN 7 2HE2 GLN 7 3.667 14.424 8.881 55 H LEU 8 H LEU 8 0.747 10.935 4.730 56 HA LEU 8 HA LEU 8 -2.031 10.608 5.602 57 HB2 LEU 8 2HB LEU 8 -0.351 9.735 3.361 58 HB3 LEU 8 1HB LEU 8 -1.431 8.545 4.037 59 HG LEU 8 HG LEU 8 -3.343 9.741 3.474 60 HD11 LEU 8 1HD1 LEU 8 -1.596 12.107 2.872 61 HD12 LEU 8 2HD1 LEU 8 -2.696 11.862 4.241 62 HD13 LEU 8 3HD1 LEU 8 -3.353 12.012 2.604 63 HD21 LEU 8 3HD2 LEU 8 -3.086 10.166 1.050 64 HD22 LEU 8 1HD2 LEU 8 -2.391 8.650 1.618 65 HD23 LEU 8 2HD2 LEU 8 -1.327 10.006 1.240 66 H GLU 9 H GLU 9 -2.641 8.642 5.974 67 HA GLU 9 HA GLU 9 -1.008 7.214 7.989 68 HB2 GLU 9 2HB GLU 9 -3.454 7.981 8.342 69 HB3 GLU 9 1HB GLU 9 -3.806 6.753 7.127 70 HG2 GLU 9 2HG GLU 9 -3.005 5.017 8.599 71 HG3 GLU 9 1HG GLU 9 -2.661 6.230 9.843 72 H SER 10 H SER 10 -0.913 4.785 7.661 73 HA SER 10 HA SER 10 -0.733 4.079 4.908 74 HB2 SER 10 2HB SER 10 0.358 2.192 5.855 75 HB3 SER 10 1HB SER 10 0.825 3.783 6.607 76 HG SER 10 HG SER 10 -1.221 2.569 7.909 77 H CYS 11 H CYS 11 -1.816 2.075 4.136 78 HA CYS 11 HA CYS 11 -3.782 0.845 5.796 79 HB2 CYS 11 2HB CYS 11 -5.812 1.613 4.778 80 HB3 CYS 11 1HB CYS 11 -4.851 3.070 4.786 81 H ALA 12 H ALA 12 -5.178 -0.658 4.059 82 HA ALA 12 HA ALA 12 -3.268 -1.642 2.089 83 HB1 ALA 12 1HB ALA 12 -4.960 -3.279 3.982 84 HB2 ALA 12 2HB ALA 12 -3.202 -3.141 4.023 85 HB3 ALA 12 3HB ALA 12 -3.993 -3.940 2.663 86 H CYS 13 H CYS 13 -4.202 -1.803 0.104 87 HA CYS 13 HA CYS 13 -6.860 -0.970 -0.247 88 HB2 CYS 13 2HB CYS 13 -4.862 -2.196 -2.166 89 HB3 CYS 13 1HB CYS 13 -6.373 -1.450 -2.627 90 H ASN 14 H ASN 14 -8.677 -1.983 -0.516 91 HA ASN 14 HA ASN 14 -9.094 -4.574 0.485 92 HB2 ASN 14 2HB ASN 14 -10.731 -2.658 0.471 93 HB3 ASN 14 1HB ASN 14 -10.935 -2.965 -1.252 94 HD21 ASN 14 1HD2 ASN 14 -13.147 -3.452 -1.056 95 HD22 ASN 14 2HD2 ASN 14 -13.677 -4.918 -0.297 96 H GLU 15 H GLU 15 -8.352 -3.482 -2.634 97 HA GLU 15 HA GLU 15 -9.451 -5.591 -4.018 98 HB2 GLU 15 2HB GLU 15 -9.036 -3.287 -4.939 99 HB3 GLU 15 1HB GLU 15 -7.318 -3.641 -4.891 100 HG2 GLU 15 2HG GLU 15 -9.248 -5.212 -6.571 101 HG3 GLU 15 1HG GLU 15 -8.417 -3.765 -7.145 102 H THR 16 H THR 16 -8.136 -7.452 -4.926 103 HA THR 16 HA THR 16 -6.341 -8.627 -3.098 104 HB THR 16 HB THR 16 -6.845 -9.346 -5.988 105 HG1 THR 16 1HG THR 16 -8.680 -9.891 -5.145 106 HG21 THR 16 3HG2 THR 16 -5.661 -11.171 -3.808 107 HG22 THR 16 1HG2 THR 16 -4.708 -10.243 -4.996 108 HG23 THR 16 2HG2 THR 16 -5.836 -11.488 -5.521 109 H ASP 17 H ASP 17 -5.679 -7.190 -6.286 110 HA ASP 17 HA ASP 17 -3.017 -8.002 -6.157 111 HB2 ASP 17 2HB ASP 17 -4.185 -7.528 -8.279 112 HB3 ASP 17 1HB ASP 17 -4.260 -5.834 -7.768 113 H ASN 18 H ASN 18 -4.770 -5.051 -5.457 114 HA ASN 18 HA ASN 18 -2.404 -3.599 -4.909 115 HB2 ASN 18 2HB ASN 18 -5.298 -2.851 -4.820 116 HB3 ASN 18 1HB ASN 18 -4.047 -1.774 -4.219 117 HD21 ASN 18 1HD2 ASN 18 -5.231 -3.462 -7.089 118 HD22 ASN 18 2HD2 ASN 18 -4.469 -2.418 -8.223 119 H SER 19 H SER 19 -4.053 -5.779 -3.155 120 HA SER 19 HA SER 19 -4.069 -4.464 -0.644 121 HB2 SER 19 2HB SER 19 -4.359 -6.653 0.407 122 HB3 SER 19 1HB SER 19 -5.377 -6.525 -1.026 123 HG SER 19 HG SER 19 -3.883 -7.804 -2.147 124 H CYS 20 H CYS 20 -1.491 -5.674 -2.472 125 HA CYS 20 HA CYS 20 0.152 -5.017 -0.236 126 HB2 CYS 20 2HB CYS 20 0.488 -7.433 -1.838 127 HB3 CYS 20 1HB CYS 20 1.886 -6.660 -1.070 128 H LYS 21 H LYS 21 -0.435 -3.233 -1.879 129 HA LYS 21 HA LYS 21 2.329 -2.243 -2.361 130 HB2 LYS 21 2HB LYS 21 -0.331 -1.444 -3.474 131 HB3 LYS 21 1HB LYS 21 1.211 -0.650 -3.800 132 HG2 LYS 21 2HG LYS 21 1.885 -2.314 -5.254 133 HG3 LYS 21 1HG LYS 21 0.762 -3.501 -4.567 134 HD2 LYS 21 2HD LYS 21 -1.054 -2.268 -5.323 135 HD3 LYS 21 1HD LYS 21 -0.032 -1.030 -6.060 136 HE2 LYS 21 2HE LYS 21 -0.842 -2.631 -7.767 137 HE3 LYS 21 1HE LYS 21 0.909 -2.711 -7.592 138 HZ1 LYS 21 3HZ LYS 21 -0.592 -4.783 -7.678 139 HZ2 LYS 21 1HZ LYS 21 -0.812 -4.576 -6.074 140 HZ3 LYS 21 2HZ LYS 21 0.759 -4.875 -6.682 141 H VAL 22 H VAL 22 2.484 -0.210 -1.939 142 HA VAL 22 HA VAL 22 1.561 -0.011 0.716 143 HB VAL 22 HB VAL 22 3.297 1.775 -0.927 144 HG11 VAL 22 1HG1 VAL 22 2.500 1.782 1.963 145 HG12 VAL 22 2HG1 VAL 22 2.234 3.022 0.730 146 HG13 VAL 22 3HG1 VAL 22 3.887 2.714 1.354 147 HG21 VAL 22 3HG2 VAL 22 3.993 -0.236 1.242 148 HG22 VAL 22 1HG2 VAL 22 5.132 0.646 0.231 149 HG23 VAL 22 2HG2 VAL 22 4.063 -0.637 -0.445 150 H CYS 23 H CYS 23 -0.315 0.422 0.785 151 HA CYS 23 HA CYS 23 -1.436 2.728 -0.650 152 HB2 CYS 23 2HB CYS 23 -2.974 0.885 1.162 153 HB3 CYS 23 1HB CYS 23 -3.549 2.062 -0.031 154 H CYS 24 H CYS 24 -2.667 4.305 0.526 155 HA CYS 24 HA CYS 24 -1.800 4.676 3.246 156 HB2 CYS 24 2HB CYS 24 -1.800 6.718 1.015 157 HB3 CYS 24 1HB CYS 24 -1.482 7.058 2.712 158 H ARG 25 H ARG 25 -3.274 6.425 4.177 159 HA ARG 25 HA ARG 25 -5.941 5.793 3.182 160 HB2 ARG 25 2HB ARG 25 -4.951 4.843 5.460 161 HB3 ARG 25 1HB ARG 25 -5.273 6.479 5.978 162 HG2 ARG 25 2HG ARG 25 -7.456 5.172 4.624 163 HG3 ARG 25 1HG ARG 25 -7.029 4.505 6.208 164 HD2 ARG 25 2HD ARG 25 -7.672 7.406 5.552 165 HD3 ARG 25 1HD ARG 25 -8.764 6.284 6.370 166 HE ARG 25 HE ARG 25 -6.603 6.232 7.962 167 HH11 ARG 25 1HH1 ARG 25 -8.294 9.015 6.576 168 HH12 ARG 25 2HH1 ARG 25 -8.130 10.004 7.952 169 HH21 ARG 25 1HH2 ARG 25 -6.273 7.551 9.799 170 HH22 ARG 25 2HH2 ARG 25 -6.884 9.128 9.901 171 H ASP 26 H ASP 26 -7.106 7.533 2.670 172 HA ASP 26 HA ASP 26 -5.770 10.074 2.942 173 HB2 ASP 26 2HB ASP 26 -6.843 10.715 0.998 174 HB3 ASP 26 1HB ASP 26 -6.775 8.978 0.728 175 H LEU 27 H LEU 27 -7.660 11.640 2.743 176 HA LEU 27 HA LEU 27 -8.400 12.282 5.319 177 HB2 LEU 27 2HB LEU 27 -9.693 13.335 2.857 178 HB3 LEU 27 1HB LEU 27 -9.489 14.154 4.386 179 HG LEU 27 HG LEU 27 -7.098 13.352 2.776 180 HD11 LEU 27 1HD1 LEU 27 -8.742 15.842 2.480 181 HD12 LEU 27 2HD1 LEU 27 -8.693 14.446 1.404 182 HD13 LEU 27 3HD1 LEU 27 -7.230 15.439 1.612 183 HD21 LEU 27 3HD2 LEU 27 -7.677 15.589 4.720 184 HD22 LEU 27 1HD2 LEU 27 -6.125 15.265 3.935 185 HD23 LEU 27 2HD2 LEU 27 -6.798 14.102 5.083 186 H SER 28 H SER 28 -10.203 11.186 2.521 187 HA SER 28 HA SER 28 -12.776 11.300 3.604 188 HB2 SER 28 2HB SER 28 -11.654 9.762 1.306 189 HB3 SER 28 1HB SER 28 -13.352 10.283 1.469 190 HG SER 28 HG SER 28 -11.033 11.607 0.776 191 H GLY 29 H GLY 29 -10.161 9.322 3.952 192 HA2 GLY 29 2HA GLY 29 -9.768 7.580 5.022 193 HA3 GLY 29 1HA GLY 29 -11.475 7.383 5.491 194 H ARG 30 H ARG 30 -10.005 7.464 2.259 195 HA ARG 30 HA ARG 30 -10.928 4.737 1.759 196 HB2 ARG 30 2HB ARG 30 -10.470 7.143 0.025 197 HB3 ARG 30 1HB ARG 30 -10.168 5.571 -0.668 198 HG2 ARG 30 2HG ARG 30 -12.361 6.361 -1.307 199 HG3 ARG 30 1HG ARG 30 -12.519 4.955 -0.275 200 HD2 ARG 30 2HD ARG 30 -12.822 7.792 0.714 201 HD3 ARG 30 1HD ARG 30 -14.167 6.833 0.107 202 HE ARG 30 HE ARG 30 -12.547 5.800 2.300 203 HH11 ARG 30 1HH1 ARG 30 -15.659 7.106 1.252 204 HH12 ARG 30 2HH1 ARG 30 -16.479 6.727 2.696 205 HH21 ARG 30 1HH2 ARG 30 -13.601 5.283 4.241 206 HH22 ARG 30 2HH2 ARG 30 -15.253 5.634 4.496 207 H CYS 31 H CYS 31 -9.384 3.646 0.133 208 HA CYS 31 HA CYS 31 -6.690 3.995 1.141 209 HB2 CYS 31 2HB CYS 31 -8.200 1.602 0.246 210 HB3 CYS 31 1HB CYS 31 -6.455 1.641 -0.007 211 H VAL 32 H VAL 32 -5.288 4.843 -0.063 212 HA VAL 32 HA VAL 32 -5.668 4.623 -2.830 213 HB VAL 32 HB VAL 32 -4.236 6.851 -2.886 214 HG11 VAL 32 1HG1 VAL 32 -6.383 6.491 -3.829 215 HG12 VAL 32 2HG1 VAL 32 -6.345 8.086 -3.042 216 HG13 VAL 32 3HG1 VAL 32 -7.189 6.725 -2.273 217 HG21 VAL 32 3HG2 VAL 32 -4.607 8.332 -1.050 218 HG22 VAL 32 1HG2 VAL 32 -4.040 6.818 -0.360 219 HG23 VAL 32 2HG2 VAL 32 -5.761 7.264 -0.277 220 HA PRO 33 HA PRO 33 -1.642 2.726 -2.705 221 HB2 PRO 33 2HB PRO 33 -1.002 3.122 -5.360 222 HB3 PRO 33 1HB PRO 33 -2.088 1.824 -4.820 223 HG2 PRO 33 2HG PRO 33 -2.776 4.468 -5.989 224 HG3 PRO 33 1HG PRO 33 -3.524 2.882 -6.265 225 HD2 PRO 33 2HD PRO 33 -4.671 4.722 -4.627 226 HD3 PRO 33 1HD PRO 33 -4.770 2.975 -4.327 227 H TYR 34 H TYR 34 0.249 3.738 -1.956 228 HA TYR 34 HA TYR 34 0.391 6.513 -2.172 229 HB2 TYR 34 2HB TYR 34 1.396 6.035 -0.326 230 HB3 TYR 34 1HB TYR 34 1.914 4.423 -0.826 231 HD1 TYR 34 1HD TYR 34 2.886 8.175 -1.469 232 HD2 TYR 34 2HD TYR 34 4.198 4.079 -0.931 233 HE1 TYR 34 1HE TYR 34 4.997 8.842 -1.553 234 HE2 TYR 34 2HE TYR 34 6.473 4.909 -1.034 235 HH TYR 34 HH TYR 34 7.287 8.079 -0.742 236 H VAL 35 H VAL 35 1.235 7.876 -3.467 237 HA VAL 35 HA VAL 35 3.587 7.271 -4.893 238 HB VAL 35 HB VAL 35 1.983 9.115 -6.234 239 HG11 VAL 35 1HG1 VAL 35 3.833 8.159 -7.185 240 HG12 VAL 35 2HG1 VAL 35 2.458 7.865 -8.248 241 HG13 VAL 35 3HG1 VAL 35 3.103 6.551 -7.243 242 HG21 VAL 35 3HG2 VAL 35 -0.010 7.923 -5.531 243 HG22 VAL 35 1HG2 VAL 35 0.606 6.425 -6.218 244 HG23 VAL 35 2HG2 VAL 35 0.182 7.772 -7.285 245 H ASP 36 H ASP 36 4.752 9.161 -4.857 246 HA ASP 36 HA ASP 36 3.421 11.582 -3.756 247 HB2 ASP 36 2HB ASP 36 5.016 10.471 -2.197 248 HB3 ASP 36 1HB ASP 36 6.272 10.546 -3.457 249 H ALA 37 H ALA 37 4.906 13.154 -4.207 250 HA ALA 37 HA ALA 37 3.419 13.836 -6.262 251 HB1 ALA 37 1HB ALA 37 4.243 15.009 -4.530 252 HB2 ALA 37 2HB ALA 37 4.434 15.963 -6.059 253 HB3 ALA 37 3HB ALA 37 5.838 15.132 -5.268 254 H GLU 38 H GLU 38 6.626 12.427 -6.379 255 HA GLU 38 HA GLU 38 7.241 13.376 -8.881 256 HB2 GLU 38 2HB GLU 38 9.357 12.555 -8.374 257 HB3 GLU 38 1HB GLU 38 8.435 13.099 -6.923 258 HG2 GLU 38 2HG GLU 38 8.254 10.332 -7.504 259 HG3 GLU 38 1HG GLU 38 9.849 10.809 -6.828 260 H GLN 39 H GLN 39 5.312 11.046 -7.649 261 HA GLN 39 HA GLN 39 4.171 9.486 -8.341 262 HB2 GLN 39 2HB GLN 39 5.720 10.076 -10.635 263 HB3 GLN 39 1HB GLN 39 4.558 8.697 -10.801 264 HG2 GLN 39 2HG GLN 39 2.818 10.352 -10.076 265 HG3 GLN 39 1HG GLN 39 4.077 11.581 -10.052 266 HE21 GLN 39 1HE2 GLN 39 3.021 12.841 -11.588 267 HE22 GLN 39 2HE2 GLN 39 2.911 12.382 -13.261 268 H LYS 40 H LYS 40 6.532 9.066 -6.794 269 HA LYS 40 HA LYS 40 7.516 6.501 -7.684 270 HB2 LYS 40 2HB LYS 40 9.065 6.645 -6.202 271 HB3 LYS 40 1HB LYS 40 8.546 8.396 -6.040 272 HG2 LYS 40 2HG LYS 40 7.246 7.708 -4.051 273 HG3 LYS 40 1HG LYS 40 7.818 6.058 -4.246 274 HD2 LYS 40 2HD LYS 40 9.135 7.017 -2.512 275 HD3 LYS 40 1HD LYS 40 10.172 6.966 -3.935 276 HE2 LYS 40 2HE LYS 40 10.414 9.084 -2.743 277 HE3 LYS 40 1HE LYS 40 9.723 9.342 -4.341 278 HZ1 LYS 40 3HZ LYS 40 7.510 9.382 -3.227 279 HZ2 LYS 40 1HZ LYS 40 8.500 10.676 -2.900 280 HZ3 LYS 40 2HZ LYS 40 8.268 9.481 -1.715 281 H ASN 41 H ASN 41 7.074 4.610 -6.718 282 HA ASN 41 HA ASN 41 4.652 4.587 -5.087 283 HB2 ASN 41 2HB ASN 41 4.407 4.173 -7.582 284 HB3 ASN 41 1HB ASN 41 5.414 2.768 -7.246 285 HD21 ASN 41 1HD2 ASN 41 2.276 4.182 -6.529 286 HD22 ASN 41 2HD2 ASN 41 1.473 2.701 -6.160 287 H LEU 42 H LEU 42 4.490 2.025 -4.502 288 HA LEU 42 HA LEU 42 7.065 0.831 -3.904 289 HB2 LEU 42 2HB LEU 42 5.204 1.695 -1.739 290 HB3 LEU 42 1HB LEU 42 6.457 0.506 -1.532 291 HG LEU 42 HG LEU 42 6.845 3.410 -2.140 292 HD11 LEU 42 1HD1 LEU 42 7.579 3.457 0.247 293 HD12 LEU 42 2HD1 LEU 42 7.189 1.728 0.353 294 HD13 LEU 42 3HD1 LEU 42 5.909 2.883 0.075 295 HD21 LEU 42 3HD2 LEU 42 8.841 1.233 -1.459 296 HD22 LEU 42 1HD2 LEU 42 9.213 2.949 -1.626 297 HD23 LEU 42 2HD2 LEU 42 8.674 2.027 -3.027 298 H PHE 43 H PHE 43 6.832 -1.290 -4.154 299 HA PHE 43 HA PHE 43 4.466 -2.640 -3.991 300 HB2 PHE 43 2HB PHE 43 5.986 -4.545 -4.423 301 HB3 PHE 43 1HB PHE 43 6.399 -3.080 -5.339 302 HD1 PHE 43 1HD PHE 43 7.519 -5.156 -2.481 303 HD2 PHE 43 2HD PHE 43 8.467 -2.009 -5.189 304 HE1 PHE 43 1HE PHE 43 9.853 -5.197 -1.711 305 HE2 PHE 43 2HE PHE 43 10.802 -2.050 -4.422 306 HZ PHE 43 HZ PHE 43 11.496 -3.643 -2.681 307 H LEU 44 H LEU 44 3.954 -4.149 -2.092 308 HA LEU 44 HA LEU 44 5.204 -3.238 0.171 309 HB2 LEU 44 2HB LEU 44 2.651 -3.557 -0.037 310 HB3 LEU 44 1HB LEU 44 3.042 -5.267 0.091 311 HG LEU 44 HG LEU 44 3.765 -5.058 2.357 312 HD11 LEU 44 1HD1 LEU 44 3.271 -2.097 2.066 313 HD12 LEU 44 2HD1 LEU 44 4.851 -2.870 2.231 314 HD13 LEU 44 3HD1 LEU 44 3.693 -2.934 3.557 315 HD21 LEU 44 3HD2 LEU 44 1.374 -5.300 1.976 316 HD22 LEU 44 1HD2 LEU 44 1.200 -3.547 1.905 317 HD23 LEU 44 2HD2 LEU 44 1.690 -4.323 3.410 318 H ARG 45 H ARG 45 5.267 -5.466 1.755 319 HA ARG 45 HA ARG 45 7.198 -7.145 0.514 320 HB2 ARG 45 2HB ARG 45 6.170 -6.707 3.190 321 HB3 ARG 45 1HB ARG 45 7.283 -8.092 2.916 322 HG2 ARG 45 2HG ARG 45 8.924 -6.375 2.067 323 HG3 ARG 45 1HG ARG 45 7.784 -5.117 2.549 324 HD2 ARG 45 2HD ARG 45 7.928 -5.898 4.874 325 HD3 ARG 45 1HD ARG 45 9.079 -7.139 4.381 326 HE ARG 45 HE ARG 45 9.935 -4.571 3.583 327 HH11 ARG 45 1HH1 ARG 45 9.755 -6.666 6.437 328 HH12 ARG 45 2HH1 ARG 45 11.043 -5.943 7.271 329 HH21 ARG 45 1HH2 ARG 45 11.755 -3.530 4.735 330 HH22 ARG 45 2HH2 ARG 45 12.219 -4.095 6.264 331 H LYS 46 H LYS 46 7.078 -9.582 1.003 332 HA LYS 46 HA LYS 46 4.387 -10.412 0.321 333 HB2 LYS 46 2HB LYS 46 5.259 -12.552 -0.443 334 HB3 LYS 46 1HB LYS 46 6.137 -11.242 -1.202 335 HG2 LYS 46 2HG LYS 46 7.689 -12.966 -0.793 336 HG3 LYS 46 1HG LYS 46 8.001 -11.766 0.452 337 HD2 LYS 46 2HD LYS 46 8.048 -14.183 1.220 338 HD3 LYS 46 1HD LYS 46 6.981 -13.127 2.135 339 HE2 LYS 46 2HE LYS 46 5.972 -15.345 1.686 340 HE3 LYS 46 1HE LYS 46 5.030 -14.040 0.998 341 HZ1 LYS 46 3HZ LYS 46 6.687 -16.057 -0.464 342 HZ2 LYS 46 1HZ LYS 46 6.098 -14.640 -1.210 343 HZ3 LYS 46 2HZ LYS 46 5.054 -15.714 -0.555 344 H GLY 47 H GLY 47 3.492 -12.405 1.182 345 HA2 GLY 47 2HA GLY 47 2.972 -13.805 2.916 346 HA3 GLY 47 1HA GLY 47 4.363 -13.195 3.819 347 H LYS 48 H LYS 48 2.540 -10.717 2.551 348 HA LYS 48 HA LYS 48 1.564 -10.036 5.198 349 HB2 LYS 48 2HB LYS 48 2.570 -8.596 3.222 350 HB3 LYS 48 1HB LYS 48 0.904 -8.518 2.714 351 HG2 LYS 48 2HG LYS 48 1.866 -7.627 5.446 352 HG3 LYS 48 1HG LYS 48 1.643 -6.549 4.087 353 HD2 LYS 48 2HD LYS 48 -0.643 -8.217 5.124 354 HD3 LYS 48 1HD LYS 48 -0.198 -6.722 5.933 355 HE2 LYS 48 2HE LYS 48 -1.940 -6.108 4.471 356 HE3 LYS 48 1HE LYS 48 -0.482 -5.606 3.634 357 HZ1 LYS 48 3HZ LYS 48 -1.967 -6.641 2.096 358 HZ2 LYS 48 1HZ LYS 48 -2.128 -8.015 3.072 359 HZ3 LYS 48 2HZ LYS 48 -0.672 -7.667 2.279 360 HA PRO 49 HA PRO 49 -2.346 -12.240 4.430 361 HB2 PRO 49 2HB PRO 49 -3.231 -10.125 6.363 362 HB3 PRO 49 1HB PRO 49 -3.574 -11.870 6.385 363 HG2 PRO 49 2HG PRO 49 -1.792 -10.895 8.038 364 HG3 PRO 49 1HG PRO 49 -1.500 -12.434 7.201 365 HD2 PRO 49 2HD PRO 49 -0.272 -9.775 6.702 366 HD3 PRO 49 1HD PRO 49 0.416 -11.400 6.513 367 H CYS 50 H CYS 50 -3.571 -11.823 2.710 368 HA CYS 50 HA CYS 50 -4.162 -9.069 2.136 369 HB2 CYS 50 2HB CYS 50 -4.018 -9.517 -0.219 370 HB3 CYS 50 1HB CYS 50 -2.557 -10.095 0.548 371 H THR 51 H THR 51 -5.896 -9.735 -0.026 372 HA THR 51 HA THR 51 -8.357 -9.849 1.201 373 HB THR 51 HB THR 51 -9.051 -10.080 -1.236 374 HG1 THR 51 1HG THR 51 -7.489 -10.317 -2.727 375 HG21 THR 51 3HG2 THR 51 -6.802 -8.170 -0.720 376 HG22 THR 51 1HG2 THR 51 -8.454 -7.874 -0.152 377 HG23 THR 51 2HG2 THR 51 -8.084 -7.956 -1.891 378 H VAL 52 H VAL 52 -6.592 -12.096 -0.722 379 HA VAL 52 HA VAL 52 -8.533 -14.219 -0.152 380 HB VAL 52 HB VAL 52 -7.766 -15.267 -2.225 381 HG11 VAL 52 1HG1 VAL 52 -8.665 -13.486 -3.759 382 HG12 VAL 52 2HG1 VAL 52 -8.619 -12.362 -2.384 383 HG13 VAL 52 3HG1 VAL 52 -9.655 -13.781 -2.331 384 HG21 VAL 52 3HG2 VAL 52 -6.188 -14.258 -3.694 385 HG22 VAL 52 1HG2 VAL 52 -5.429 -14.280 -2.124 386 HG23 VAL 52 2HG2 VAL 52 -6.097 -12.770 -2.792 387 H GLY 53 H GLY 53 -5.553 -13.415 1.028 388 HA2 GLY 53 2HA GLY 53 -5.050 -15.643 2.377 389 HA3 GLY 53 1HA GLY 53 -4.251 -15.934 0.820 390 H PHE 54 H PHE 54 -2.231 -15.287 0.701 391 HA PHE 54 HA PHE 54 -1.324 -13.024 2.394 392 HB2 PHE 54 2HB PHE 54 0.250 -15.470 1.532 393 HB3 PHE 54 1HB PHE 54 0.946 -14.095 2.385 394 HD1 PHE 54 2HD PHE 54 0.187 -13.616 4.719 395 HD2 PHE 54 1HD PHE 54 -0.858 -17.196 2.673 396 HE1 PHE 54 2HE PHE 54 -0.383 -14.670 6.865 397 HE2 PHE 54 1HE PHE 54 -1.434 -18.258 4.817 398 HZ PHE 54 HZ PHE 54 -1.196 -16.994 6.917 399 H CYS 55 H CYS 55 0.534 -11.821 1.328 400 HA CYS 55 HA CYS 55 -0.066 -11.689 -1.573 401 HB2 CYS 55 2HB CYS 55 1.581 -9.799 -0.002 402 HB3 CYS 55 1HB CYS 55 0.897 -9.573 -1.595 403 H ASP 56 H ASP 56 1.676 -11.158 -2.977 404 HA ASP 56 HA ASP 56 4.266 -11.860 -1.927 405 HB2 ASP 56 2HB ASP 56 4.963 -12.635 -4.058 406 HB3 ASP 56 1HB ASP 56 3.239 -12.944 -4.192 407 H MET 57 H MET 57 5.839 -10.343 -3.768 408 HA MET 57 HA MET 57 5.629 -7.733 -2.579 409 HB2 MET 57 2HB MET 57 7.468 -8.884 -4.679 410 HB3 MET 57 1HB MET 57 7.622 -7.257 -4.027 411 HG2 MET 57 2HG MET 57 8.160 -8.058 -1.879 412 HG3 MET 57 1HG MET 57 7.638 -9.690 -2.276 413 HE1 MET 57 3HE MET 57 11.459 -7.793 -4.082 414 HE2 MET 57 1HE MET 57 10.368 -6.912 -3.013 415 HE3 MET 57 2HE MET 57 9.833 -7.383 -4.626 416 H ASN 58 H ASN 58 4.783 -9.181 -5.645 417 HA ASN 58 HA ASN 58 4.401 -6.703 -7.057 418 HB2 ASN 58 2HB ASN 58 3.530 -9.530 -7.681 419 HB3 ASN 58 1HB ASN 58 3.269 -8.168 -8.760 420 HD21 ASN 58 1HD2 ASN 58 5.608 -10.326 -7.363 421 HD22 ASN 58 2HD2 ASN 58 6.883 -9.944 -8.473 422 H GLY 59 H GLY 59 2.475 -8.823 -5.131 423 HA2 GLY 59 2HA GLY 59 0.596 -7.778 -3.991 424 HA3 GLY 59 1HA GLY 59 0.169 -7.031 -5.532 425 H LYS 60 H LYS 60 1.337 -10.222 -5.803 426 HA LYS 60 HA LYS 60 -1.344 -11.338 -6.363 427 HB2 LYS 60 2HB LYS 60 1.496 -12.375 -6.566 428 HB3 LYS 60 1HB LYS 60 0.122 -13.450 -6.568 429 HG2 LYS 60 2HG LYS 60 0.905 -13.167 -8.810 430 HG3 LYS 60 1HG LYS 60 -0.666 -12.401 -8.615 431 HD2 LYS 60 2HD LYS 60 1.833 -10.755 -8.367 432 HD3 LYS 60 1HD LYS 60 1.240 -11.187 -9.969 433 HE2 LYS 60 2HE LYS 60 -0.890 -10.144 -9.480 434 HE3 LYS 60 1HE LYS 60 -0.363 -9.796 -7.838 435 HZ1 LYS 60 3HZ LYS 60 0.785 -8.628 -10.323 436 HZ2 LYS 60 1HZ LYS 60 1.296 -8.287 -8.718 437 HZ3 LYS 60 2HZ LYS 60 -0.279 -7.931 -9.215 438 H CYS 61 H CYS 61 -1.745 -13.360 -5.463 439 HA CYS 61 HA CYS 61 -1.042 -13.154 -2.707 440 HB2 CYS 61 2HB CYS 61 -3.582 -12.995 -4.044 441 HB3 CYS 61 1HB CYS 61 -3.590 -13.895 -2.473 442 H GLU 62 H GLU 62 -1.156 -14.951 -1.543 443 HA GLU 62 HA GLU 62 -0.634 -17.390 -2.994 444 HB2 GLU 62 2HB GLU 62 0.516 -16.439 -0.333 445 HB3 GLU 62 1HB GLU 62 0.985 -17.889 -1.202 446 HG2 GLU 62 2HG GLU 62 1.975 -16.527 -2.979 447 HG3 GLU 62 1HG GLU 62 1.441 -15.060 -2.172 Start of MODEL 20 1 H PHE 1 1HT PHE 1 4.869 3.427 6.706 2 HA PHE 1 HA PHE 1 4.690 3.956 3.857 3 HB2 PHE 1 2HB PHE 1 3.323 1.703 5.305 4 HB3 PHE 1 1HB PHE 1 2.754 2.424 3.785 5 HD1 PHE 1 1HD PHE 1 4.342 2.551 1.868 6 HD2 PHE 1 2HD PHE 1 4.966 0.014 5.220 7 HE1 PHE 1 1HE PHE 1 5.924 1.176 0.536 8 HE2 PHE 1 2HE PHE 1 6.531 -1.362 3.913 9 HZ PHE 1 HZ PHE 1 7.014 -0.781 1.566 10 H CYS 2 H CYS 2 3.588 5.363 3.423 11 HA CYS 2 HA CYS 2 2.419 7.307 3.422 12 HB2 CYS 2 2HB CYS 2 0.494 5.770 5.125 13 HB3 CYS 2 1HB CYS 2 0.117 7.127 4.059 14 H GLU 3 H GLU 3 3.036 6.059 6.511 15 HA GLU 3 HA GLU 3 2.012 7.809 8.403 16 HB2 GLU 3 2HB GLU 3 4.656 6.398 8.572 17 HB3 GLU 3 1HB GLU 3 3.678 6.950 9.915 18 HG2 GLU 3 2HG GLU 3 2.226 5.189 9.747 19 HG3 GLU 3 1HG GLU 3 2.495 4.991 8.010 20 H ARG 4 H ARG 4 5.407 7.985 7.305 21 HA ARG 4 HA ARG 4 5.571 10.478 8.694 22 HB2 ARG 4 2HB ARG 4 7.737 8.644 7.680 23 HB3 ARG 4 1HB ARG 4 8.010 10.080 8.671 24 HG2 ARG 4 2HG ARG 4 7.010 9.122 10.541 25 HG3 ARG 4 1HG ARG 4 6.207 7.884 9.583 26 HD2 ARG 4 2HD ARG 4 8.575 7.036 9.057 27 HD3 ARG 4 1HD ARG 4 9.088 8.046 10.419 28 HE ARG 4 HE ARG 4 8.074 6.622 11.863 29 HH11 ARG 4 1HH1 ARG 4 7.256 5.668 8.528 30 HH12 ARG 4 2HH1 ARG 4 6.136 4.467 9.000 31 HH21 ARG 4 1HH2 ARG 4 6.489 4.813 12.475 32 HH22 ARG 4 2HH2 ARG 4 5.674 4.049 11.185 33 H GLU 5 H GLU 5 6.098 8.796 5.724 34 HA GLU 5 HA GLU 5 7.273 10.672 4.173 35 HB2 GLU 5 2HB GLU 5 6.011 9.319 2.393 36 HB3 GLU 5 1HB GLU 5 7.384 8.607 3.321 37 HG2 GLU 5 2HG GLU 5 4.493 8.162 4.037 38 HG3 GLU 5 1HG GLU 5 5.245 7.204 2.774 39 H GLN 6 H GLN 6 3.810 10.088 4.653 40 HA GLN 6 HA GLN 6 3.279 12.561 3.084 41 HB2 GLN 6 2HB GLN 6 1.487 10.162 3.369 42 HB3 GLN 6 1HB GLN 6 1.144 11.612 2.444 43 HG2 GLN 6 2HG GLN 6 3.341 9.678 1.941 44 HG3 GLN 6 1HG GLN 6 1.757 9.744 1.107 45 HE21 GLN 6 1HE2 GLN 6 4.575 10.075 0.013 46 HE22 GLN 6 2HE2 GLN 6 4.544 11.624 -0.736 47 H GLN 7 H GLN 7 3.012 10.911 6.037 48 HA GLN 7 HA GLN 7 2.217 11.194 7.815 49 HB2 GLN 7 2HB GLN 7 1.381 13.956 6.928 50 HB3 GLN 7 1HB GLN 7 1.267 13.422 8.607 51 HG2 GLN 7 2HG GLN 7 3.608 13.013 8.712 52 HG3 GLN 7 1HG GLN 7 3.774 13.315 6.989 53 HE21 GLN 7 1HE2 GLN 7 5.284 14.914 7.326 54 HE22 GLN 7 2HE2 GLN 7 4.884 16.474 7.977 55 H LEU 8 H LEU 8 0.786 10.162 5.703 56 HA LEU 8 HA LEU 8 -2.110 10.205 6.379 57 HB2 LEU 8 2HB LEU 8 -0.530 8.890 4.195 58 HB3 LEU 8 1HB LEU 8 -2.275 8.775 4.402 59 HG LEU 8 HG LEU 8 -0.770 11.242 4.006 60 HD11 LEU 8 1HD1 LEU 8 -2.129 9.443 1.949 61 HD12 LEU 8 2HD1 LEU 8 -0.415 9.910 1.966 62 HD13 LEU 8 3HD1 LEU 8 -1.654 11.096 1.574 63 HD21 LEU 8 3HD2 LEU 8 -2.918 11.667 4.941 64 HD22 LEU 8 1HD2 LEU 8 -3.700 10.643 3.736 65 HD23 LEU 8 2HD2 LEU 8 -2.970 12.174 3.254 66 H GLU 9 H GLU 9 -2.923 8.166 6.260 67 HA GLU 9 HA GLU 9 -1.414 6.275 8.004 68 HB2 GLU 9 2HB GLU 9 -3.946 6.932 8.401 69 HB3 GLU 9 1HB GLU 9 -4.091 5.888 6.966 70 HG2 GLU 9 2HG GLU 9 -3.065 4.034 8.222 71 HG3 GLU 9 1HG GLU 9 -3.190 5.018 9.687 72 H SER 10 H SER 10 -0.819 4.327 7.088 73 HA SER 10 HA SER 10 -1.162 3.988 4.343 74 HB2 SER 10 2HB SER 10 0.023 2.014 4.759 75 HB3 SER 10 1HB SER 10 0.695 3.487 5.595 76 HG SER 10 HG SER 10 -1.045 1.995 7.114 77 H CYS 11 H CYS 11 -2.509 2.372 3.520 78 HA CYS 11 HA CYS 11 -4.303 1.110 5.415 79 HB2 CYS 11 2HB CYS 11 -6.323 2.115 4.628 80 HB3 CYS 11 1HB CYS 11 -5.210 3.483 4.612 81 H ALA 12 H ALA 12 -5.757 -0.483 4.119 82 HA ALA 12 HA ALA 12 -4.140 -1.439 1.882 83 HB1 ALA 12 1HB ALA 12 -5.774 -3.072 3.832 84 HB2 ALA 12 2HB ALA 12 -4.016 -2.935 3.826 85 HB3 ALA 12 3HB ALA 12 -4.844 -3.708 2.474 86 H CYS 13 H CYS 13 -5.129 -1.494 -0.011 87 HA CYS 13 HA CYS 13 -7.838 -0.766 -0.271 88 HB2 CYS 13 2HB CYS 13 -5.825 -1.862 -2.259 89 HB3 CYS 13 1HB CYS 13 -7.421 -1.298 -2.688 90 H ASN 14 H ASN 14 -9.603 -1.835 -0.472 91 HA ASN 14 HA ASN 14 -9.924 -4.388 0.622 92 HB2 ASN 14 2HB ASN 14 -11.611 -2.472 0.416 93 HB3 ASN 14 1HB ASN 14 -11.854 -2.992 -1.236 94 HD21 ASN 14 1HD2 ASN 14 -11.788 -5.923 -0.486 95 HD22 ASN 14 2HD2 ASN 14 -13.297 -6.168 0.327 96 H GLU 15 H GLU 15 -9.280 -3.383 -2.606 97 HA GLU 15 HA GLU 15 -10.250 -5.609 -3.867 98 HB2 GLU 15 2HB GLU 15 -9.958 -3.317 -4.864 99 HB3 GLU 15 1HB GLU 15 -8.225 -3.582 -4.816 100 HG2 GLU 15 2HG GLU 15 -10.075 -5.311 -6.425 101 HG3 GLU 15 1HG GLU 15 -9.335 -3.841 -7.056 102 H THR 16 H THR 16 -8.856 -7.426 -4.719 103 HA THR 16 HA THR 16 -7.043 -8.413 -2.825 104 HB THR 16 HB THR 16 -7.570 -9.307 -5.652 105 HG1 THR 16 1HG THR 16 -8.914 -9.492 -3.330 106 HG21 THR 16 3HG2 THR 16 -6.178 -10.846 -3.401 107 HG22 THR 16 1HG2 THR 16 -5.366 -10.083 -4.776 108 HG23 THR 16 2HG2 THR 16 -6.492 -11.420 -5.034 109 H ASP 17 H ASP 17 -6.444 -7.140 -6.080 110 HA ASP 17 HA ASP 17 -3.743 -7.819 -5.902 111 HB2 ASP 17 2HB ASP 17 -4.838 -7.567 -8.052 112 HB3 ASP 17 1HB ASP 17 -5.149 -5.868 -7.639 113 H ASN 18 H ASN 18 -5.622 -4.864 -5.431 114 HA ASN 18 HA ASN 18 -3.328 -3.282 -4.998 115 HB2 ASN 18 2HB ASN 18 -6.257 -2.707 -4.884 116 HB3 ASN 18 1HB ASN 18 -5.082 -1.533 -4.304 117 HD21 ASN 18 1HD2 ASN 18 -6.152 -3.349 -7.125 118 HD22 ASN 18 2HD2 ASN 18 -5.431 -2.298 -8.285 119 H SER 19 H SER 19 -4.726 -5.459 -3.074 120 HA SER 19 HA SER 19 -4.193 -3.944 -0.697 121 HB2 SER 19 2HB SER 19 -4.484 -6.094 0.629 122 HB3 SER 19 1HB SER 19 -5.859 -5.658 -0.383 123 HG SER 19 HG SER 19 -4.465 -7.231 -1.906 124 H CYS 20 H CYS 20 -2.320 -5.445 -2.945 125 HA CYS 20 HA CYS 20 -0.055 -5.610 -1.120 126 HB2 CYS 20 2HB CYS 20 -0.471 -6.674 -3.882 127 HB3 CYS 20 1HB CYS 20 1.088 -6.729 -3.075 128 H LYS 21 H LYS 21 -1.486 -3.290 -2.734 129 HA LYS 21 HA LYS 21 1.037 -1.908 -3.260 130 HB2 LYS 21 2HB LYS 21 -1.722 -1.615 -4.424 131 HB3 LYS 21 1HB LYS 21 -0.533 -0.318 -4.464 132 HG2 LYS 21 2HG LYS 21 -0.405 -1.314 -6.590 133 HG3 LYS 21 1HG LYS 21 0.957 -1.953 -5.657 134 HD2 LYS 21 2HD LYS 21 -0.274 -4.030 -5.275 135 HD3 LYS 21 1HD LYS 21 -1.634 -3.396 -6.209 136 HE2 LYS 21 2HE LYS 21 -0.147 -3.178 -8.174 137 HE3 LYS 21 1HE LYS 21 1.161 -3.893 -7.238 138 HZ1 LYS 21 3HZ LYS 21 0.077 -5.589 -8.632 139 HZ2 LYS 21 1HZ LYS 21 -1.400 -5.186 -7.992 140 HZ3 LYS 21 2HZ LYS 21 -0.292 -5.938 -7.030 141 H VAL 22 H VAL 22 1.316 -0.113 -2.725 142 HA VAL 22 HA VAL 22 0.573 0.163 -0.025 143 HB VAL 22 HB VAL 22 2.155 1.990 -1.789 144 HG11 VAL 22 1HG1 VAL 22 3.053 2.768 0.466 145 HG12 VAL 22 2HG1 VAL 22 1.667 1.865 1.160 146 HG13 VAL 22 3HG1 VAL 22 1.379 3.177 0.022 147 HG21 VAL 22 3HG2 VAL 22 2.989 -0.304 -1.621 148 HG22 VAL 22 1HG2 VAL 22 3.129 -0.149 0.129 149 HG23 VAL 22 2HG2 VAL 22 4.095 0.915 -0.932 150 H CYS 23 H CYS 23 -1.285 0.699 0.209 151 HA CYS 23 HA CYS 23 -2.353 3.121 -1.097 152 HB2 CYS 23 2HB CYS 23 -3.938 1.243 0.671 153 HB3 CYS 23 1HB CYS 23 -4.510 2.521 -0.416 154 H CYS 24 H CYS 24 -3.363 4.753 0.212 155 HA CYS 24 HA CYS 24 -2.473 4.910 2.967 156 HB2 CYS 24 2HB CYS 24 -2.378 7.111 0.867 157 HB3 CYS 24 1HB CYS 24 -1.967 7.287 2.561 158 H ARG 25 H ARG 25 -3.997 6.740 3.930 159 HA ARG 25 HA ARG 25 -6.335 6.701 2.233 160 HB2 ARG 25 2HB ARG 25 -7.831 6.481 4.038 161 HB3 ARG 25 1HB ARG 25 -6.689 5.148 4.113 162 HG2 ARG 25 2HG ARG 25 -5.667 5.878 5.832 163 HG3 ARG 25 1HG ARG 25 -6.200 7.607 5.664 164 HD2 ARG 25 2HD ARG 25 -7.703 7.000 7.290 165 HD3 ARG 25 1HD ARG 25 -8.511 6.281 5.888 166 HE ARG 25 HE ARG 25 -6.812 4.905 7.839 167 HH11 ARG 25 1HH1 ARG 25 -9.454 4.653 5.445 168 HH12 ARG 25 2HH1 ARG 25 -9.611 2.975 5.626 169 HH21 ARG 25 1HH2 ARG 25 -6.950 2.743 8.010 170 HH22 ARG 25 2HH2 ARG 25 -8.124 1.770 7.212 171 H ASP 26 H ASP 26 -7.805 8.305 2.787 172 HA ASP 26 HA ASP 26 -6.269 10.813 2.849 173 HB2 ASP 26 2HB ASP 26 -7.543 11.505 1.044 174 HB3 ASP 26 1HB ASP 26 -7.488 9.760 0.760 175 H LEU 27 H LEU 27 -8.301 12.369 2.918 176 HA LEU 27 HA LEU 27 -8.630 12.751 5.628 177 HB2 LEU 27 2HB LEU 27 -9.773 13.998 3.239 178 HB3 LEU 27 1HB LEU 27 -10.070 14.722 4.834 179 HG LEU 27 HG LEU 27 -8.405 16.043 3.888 180 HD11 LEU 27 1HD1 LEU 27 -6.275 15.564 4.958 181 HD12 LEU 27 2HD1 LEU 27 -6.836 13.930 5.312 182 HD13 LEU 27 3HD1 LEU 27 -7.647 15.314 6.045 183 HD21 LEU 27 3HD2 LEU 27 -7.122 13.572 2.754 184 HD22 LEU 27 1HD2 LEU 27 -6.553 15.227 2.487 185 HD23 LEU 27 2HD2 LEU 27 -8.136 14.688 1.871 186 H SER 28 H SER 28 -10.603 11.613 3.017 187 HA SER 28 HA SER 28 -13.001 11.527 4.539 188 HB2 SER 28 2HB SER 28 -12.920 12.062 2.070 189 HB3 SER 28 1HB SER 28 -12.461 10.393 1.772 190 HG SER 28 HG SER 28 -14.882 11.498 2.520 191 H GLY 29 H GLY 29 -10.265 9.806 4.365 192 HA2 GLY 29 2HA GLY 29 -9.577 8.044 5.272 193 HA3 GLY 29 1HA GLY 29 -11.193 7.655 5.887 194 H ARG 30 H ARG 30 -10.575 8.116 2.474 195 HA ARG 30 HA ARG 30 -11.419 5.388 1.970 196 HB2 ARG 30 2HB ARG 30 -10.766 7.601 0.012 197 HB3 ARG 30 1HB ARG 30 -11.571 6.088 -0.353 198 HG2 ARG 30 2HG ARG 30 -12.661 8.417 1.216 199 HG3 ARG 30 1HG ARG 30 -13.196 7.846 -0.363 200 HD2 ARG 30 2HD ARG 30 -13.759 5.659 0.831 201 HD3 ARG 30 1HD ARG 30 -13.558 6.566 2.329 202 HE ARG 30 HE ARG 30 -15.535 7.105 0.239 203 HH11 ARG 30 1HH1 ARG 30 -14.483 7.757 3.566 204 HH12 ARG 30 2HH1 ARG 30 -16.009 8.107 4.165 205 HH21 ARG 30 1HH2 ARG 30 -17.713 7.619 1.062 206 HH22 ARG 30 2HH2 ARG 30 -17.916 8.032 2.700 207 H CYS 31 H CYS 31 -10.130 4.070 0.520 208 HA CYS 31 HA CYS 31 -7.351 4.493 1.043 209 HB2 CYS 31 2HB CYS 31 -8.914 2.130 0.148 210 HB3 CYS 31 1HB CYS 31 -7.178 2.186 -0.171 211 H VAL 32 H VAL 32 -6.053 5.421 -0.176 212 HA VAL 32 HA VAL 32 -6.600 5.444 -2.919 213 HB VAL 32 HB VAL 32 -5.120 7.648 -2.868 214 HG11 VAL 32 1HG1 VAL 32 -7.203 8.938 -2.764 215 HG12 VAL 32 2HG1 VAL 32 -8.018 7.526 -2.069 216 HG13 VAL 32 3HG1 VAL 32 -7.330 7.444 -3.705 217 HG21 VAL 32 3HG2 VAL 32 -4.852 7.308 -0.333 218 HG22 VAL 32 1HG2 VAL 32 -6.492 7.930 -0.168 219 HG23 VAL 32 2HG2 VAL 32 -5.248 8.948 -0.880 220 HA PRO 33 HA PRO 33 -2.728 3.353 -3.239 221 HB2 PRO 33 2HB PRO 33 -2.187 3.945 -5.864 222 HB3 PRO 33 1HB PRO 33 -3.368 2.710 -5.377 223 HG2 PRO 33 2HG PRO 33 -3.850 5.511 -6.253 224 HG3 PRO 33 1HG PRO 33 -4.757 4.034 -6.640 225 HD2 PRO 33 2HD PRO 33 -5.653 5.782 -4.771 226 HD3 PRO 33 1HD PRO 33 -5.891 4.031 -4.638 227 H TYR 34 H TYR 34 -0.768 4.072 -2.465 228 HA TYR 34 HA TYR 34 0.000 6.766 -2.523 229 HB2 TYR 34 2HB TYR 34 0.700 5.209 -0.820 230 HB3 TYR 34 1HB TYR 34 1.530 4.241 -2.052 231 HD1 TYR 34 1HD TYR 34 3.775 5.180 -3.100 232 HD2 TYR 34 2HD TYR 34 1.693 7.074 0.138 233 HE1 TYR 34 1HE TYR 34 5.585 6.297 -2.698 234 HE2 TYR 34 2HE TYR 34 3.754 8.352 0.601 235 HH TYR 34 HH TYR 34 6.517 8.350 -1.509 236 H VAL 35 H VAL 35 1.374 7.767 -3.812 237 HA VAL 35 HA VAL 35 2.959 6.274 -5.705 238 HB VAL 35 HB VAL 35 2.264 8.962 -6.482 239 HG11 VAL 35 1HG1 VAL 35 3.589 7.598 -7.803 240 HG12 VAL 35 2HG1 VAL 35 2.158 8.068 -8.717 241 HG13 VAL 35 3HG1 VAL 35 2.290 6.427 -8.053 242 HG21 VAL 35 3HG2 VAL 35 0.042 8.595 -7.460 243 HG22 VAL 35 1HG2 VAL 35 0.027 8.349 -5.711 244 HG23 VAL 35 2HG2 VAL 35 0.021 6.954 -6.798 245 H ASP 36 H ASP 36 4.833 6.863 -5.701 246 HA ASP 36 HA ASP 36 5.740 8.854 -3.734 247 HB2 ASP 36 2HB ASP 36 6.521 6.368 -4.285 248 HB3 ASP 36 1HB ASP 36 7.356 7.259 -5.590 249 H ALA 37 H ALA 37 7.464 9.865 -4.328 250 HA ALA 37 HA ALA 37 6.048 11.922 -5.090 251 HB1 ALA 37 1HB ALA 37 7.961 13.264 -4.597 252 HB2 ALA 37 2HB ALA 37 8.993 11.835 -4.914 253 HB3 ALA 37 3HB ALA 37 7.784 11.778 -3.615 254 H GLU 38 H GLU 38 8.298 10.076 -7.155 255 HA GLU 38 HA GLU 38 8.181 11.875 -9.249 256 HB2 GLU 38 2HB GLU 38 9.246 9.258 -8.815 257 HB3 GLU 38 1HB GLU 38 9.770 10.227 -10.230 258 HG2 GLU 38 2HG GLU 38 11.523 10.835 -8.852 259 HG3 GLU 38 1HG GLU 38 10.304 11.707 -7.900 260 H GLN 39 H GLN 39 5.871 9.933 -8.136 261 HA GLN 39 HA GLN 39 4.254 8.956 -8.779 262 HB2 GLN 39 2HB GLN 39 5.439 9.663 -11.256 263 HB3 GLN 39 1HB GLN 39 3.909 8.701 -11.357 264 HG2 GLN 39 2HG GLN 39 2.932 10.502 -9.908 265 HG3 GLN 39 1HG GLN 39 4.463 11.356 -10.032 266 HE21 GLN 39 1HE2 GLN 39 1.779 12.181 -10.819 267 HE22 GLN 39 2HE2 GLN 39 1.869 12.541 -12.517 268 H LYS 40 H LYS 40 6.481 7.522 -7.872 269 HA LYS 40 HA LYS 40 6.722 5.084 -9.385 270 HB2 LYS 40 2HB LYS 40 7.166 5.647 -6.524 271 HB3 LYS 40 1HB LYS 40 7.682 4.178 -7.342 272 HG2 LYS 40 2HG LYS 40 9.105 5.653 -8.676 273 HG3 LYS 40 1HG LYS 40 8.760 6.953 -7.481 274 HD2 LYS 40 2HD LYS 40 9.406 5.160 -5.705 275 HD3 LYS 40 1HD LYS 40 10.137 4.277 -7.035 276 HE2 LYS 40 2HE LYS 40 11.911 5.435 -6.016 277 HE3 LYS 40 1HE LYS 40 11.518 6.391 -7.443 278 HZ1 LYS 40 3HZ LYS 40 10.352 7.955 -6.099 279 HZ2 LYS 40 1HZ LYS 40 11.834 7.779 -5.441 280 HZ3 LYS 40 2HZ LYS 40 10.441 7.091 -4.722 281 H ASN 41 H ASN 41 5.615 3.295 -8.911 282 HA ASN 41 HA ASN 41 3.442 3.522 -6.963 283 HB2 ASN 41 2HB ASN 41 3.203 2.676 -9.448 284 HB3 ASN 41 1HB ASN 41 3.950 1.248 -8.712 285 HD21 ASN 41 1HD2 ASN 41 1.093 3.302 -8.419 286 HD22 ASN 41 2HD2 ASN 41 0.110 2.092 -7.676 287 H LEU 42 H LEU 42 3.220 1.310 -5.806 288 HA LEU 42 HA LEU 42 5.892 0.318 -5.099 289 HB2 LEU 42 2HB LEU 42 4.022 1.432 -3.052 290 HB3 LEU 42 1HB LEU 42 5.542 0.645 -2.727 291 HG LEU 42 HG LEU 42 5.151 3.352 -4.008 292 HD11 LEU 42 1HD1 LEU 42 4.713 2.844 -1.494 293 HD12 LEU 42 2HD1 LEU 42 5.673 4.249 -1.972 294 HD13 LEU 42 3HD1 LEU 42 6.482 2.779 -1.385 295 HD21 LEU 42 3HD2 LEU 42 7.585 3.568 -3.800 296 HD22 LEU 42 1HD2 LEU 42 7.171 2.224 -4.865 297 HD23 LEU 42 2HD2 LEU 42 7.691 1.909 -3.208 298 H PHE 43 H PHE 43 5.642 -1.879 -5.156 299 HA PHE 43 HA PHE 43 3.335 -3.074 -4.329 300 HB2 PHE 43 2HB PHE 43 4.579 -5.122 -4.836 301 HB3 PHE 43 1HB PHE 43 4.952 -3.801 -5.962 302 HD1 PHE 43 1HD PHE 43 7.102 -2.746 -6.072 303 HD2 PHE 43 2HD PHE 43 6.369 -5.960 -3.377 304 HE1 PHE 43 1HE PHE 43 9.522 -3.033 -5.759 305 HE2 PHE 43 2HE PHE 43 8.788 -6.242 -3.056 306 HZ PHE 43 HZ PHE 43 10.369 -4.781 -4.246 307 H LEU 44 H LEU 44 2.976 -3.996 -2.243 308 HA LEU 44 HA LEU 44 4.056 -2.880 -0.086 309 HB2 LEU 44 2HB LEU 44 1.812 -4.136 -0.448 310 HB3 LEU 44 1HB LEU 44 2.777 -5.554 -0.064 311 HG LEU 44 HG LEU 44 3.157 -4.802 2.194 312 HD11 LEU 44 1HD1 LEU 44 1.600 -2.339 1.415 313 HD12 LEU 44 2HD1 LEU 44 3.317 -2.404 1.830 314 HD13 LEU 44 3HD1 LEU 44 2.101 -2.764 3.050 315 HD21 LEU 44 3HD2 LEU 44 1.104 -6.035 1.727 316 HD22 LEU 44 1HD2 LEU 44 0.263 -4.518 1.407 317 HD23 LEU 44 2HD2 LEU 44 0.868 -4.867 3.027 318 H ARG 45 H ARG 45 4.716 -4.758 1.757 319 HA ARG 45 HA ARG 45 7.214 -5.722 0.820 320 HB2 ARG 45 2HB ARG 45 5.863 -5.509 3.372 321 HB3 ARG 45 1HB ARG 45 7.482 -6.296 3.279 322 HG2 ARG 45 2HG ARG 45 6.639 -3.395 2.844 323 HG3 ARG 45 1HG ARG 45 7.746 -4.001 4.068 324 HD2 ARG 45 2HD ARG 45 9.107 -2.922 2.455 325 HD3 ARG 45 1HD ARG 45 9.288 -4.643 2.127 326 HE ARG 45 HE ARG 45 7.265 -3.859 0.472 327 HH11 ARG 45 1HH1 ARG 45 10.618 -2.815 0.879 328 HH12 ARG 45 2HH1 ARG 45 10.785 -2.218 -0.704 329 HH21 ARG 45 1HH2 ARG 45 7.447 -3.013 -1.689 330 HH22 ARG 45 2HH2 ARG 45 8.903 -2.345 -2.223 331 H LYS 46 H LYS 46 7.848 -7.992 1.542 332 HA LYS 46 HA LYS 46 5.709 -9.678 0.552 333 HB2 LYS 46 2HB LYS 46 7.333 -11.228 -0.142 334 HB3 LYS 46 1HB LYS 46 8.148 -9.690 -0.333 335 HG2 LYS 46 2HG LYS 46 9.174 -10.142 1.964 336 HG3 LYS 46 1HG LYS 46 8.575 -11.784 1.775 337 HD2 LYS 46 2HD LYS 46 10.608 -10.341 0.063 338 HD3 LYS 46 1HD LYS 46 10.872 -11.747 1.078 339 HE2 LYS 46 2HE LYS 46 9.269 -11.647 -1.498 340 HE3 LYS 46 1HE LYS 46 10.860 -12.357 -1.286 341 HZ1 LYS 46 3HZ LYS 46 8.233 -13.338 -0.340 342 HZ2 LYS 46 1HZ LYS 46 9.693 -14.009 0.271 343 HZ3 LYS 46 2HZ LYS 46 9.263 -14.007 -1.378 344 H GLY 47 H GLY 47 4.728 -11.225 1.518 345 HA2 GLY 47 2HA GLY 47 4.034 -12.727 3.089 346 HA3 GLY 47 1HA GLY 47 5.586 -12.538 3.946 347 H LYS 48 H LYS 48 3.199 -10.141 3.004 348 HA LYS 48 HA LYS 48 2.564 -9.706 5.802 349 HB2 LYS 48 2HB LYS 48 2.772 -8.027 3.395 350 HB3 LYS 48 1HB LYS 48 2.107 -7.345 4.914 351 HG2 LYS 48 2HG LYS 48 4.911 -8.402 4.375 352 HG3 LYS 48 1HG LYS 48 4.470 -6.711 4.611 353 HD2 LYS 48 2HD LYS 48 4.128 -6.984 6.892 354 HD3 LYS 48 1HD LYS 48 3.868 -8.718 6.770 355 HE2 LYS 48 2HE LYS 48 6.506 -7.329 6.326 356 HE3 LYS 48 1HE LYS 48 6.023 -8.137 7.817 357 HZ1 LYS 48 3HZ LYS 48 7.325 -9.701 6.586 358 HZ2 LYS 48 1HZ LYS 48 6.466 -9.432 5.152 359 HZ3 LYS 48 2HZ LYS 48 5.715 -10.187 6.413 360 HA PRO 49 HA PRO 49 -1.371 -11.236 4.623 361 HB2 PRO 49 2HB PRO 49 -2.934 -9.941 6.470 362 HB3 PRO 49 1HB PRO 49 -1.940 -11.360 6.855 363 HG2 PRO 49 2HG PRO 49 -1.358 -8.490 7.336 364 HG3 PRO 49 1HG PRO 49 -1.046 -9.900 8.373 365 HD2 PRO 49 2HD PRO 49 0.902 -8.755 6.934 366 HD3 PRO 49 1HD PRO 49 0.854 -10.504 7.228 367 H CYS 50 H CYS 50 -2.687 -10.710 3.052 368 HA CYS 50 HA CYS 50 -3.492 -7.961 2.756 369 HB2 CYS 50 2HB CYS 50 -3.364 -8.231 0.341 370 HB3 CYS 50 1HB CYS 50 -1.810 -8.635 1.045 371 H THR 51 H THR 51 -5.229 -8.801 0.538 372 HA THR 51 HA THR 51 -7.597 -9.348 1.868 373 HB THR 51 HB THR 51 -8.300 -10.009 -0.537 374 HG1 THR 51 1HG THR 51 -5.894 -8.720 -1.250 375 HG21 THR 51 3HG2 THR 51 -8.671 -7.815 0.539 376 HG22 THR 51 1HG2 THR 51 -8.286 -7.685 -1.194 377 HG23 THR 51 2HG2 THR 51 -7.031 -7.371 0.010 378 H VAL 52 H VAL 52 -6.090 -11.369 -0.466 379 HA VAL 52 HA VAL 52 -7.574 -13.663 0.470 380 HB VAL 52 HB VAL 52 -6.794 -14.857 -1.506 381 HG11 VAL 52 1HG1 VAL 52 -8.776 -13.477 -1.703 382 HG12 VAL 52 2HG1 VAL 52 -7.839 -13.351 -3.200 383 HG13 VAL 52 3HG1 VAL 52 -7.781 -12.054 -2.008 384 HG21 VAL 52 3HG2 VAL 52 -5.343 -12.333 -2.278 385 HG22 VAL 52 1HG2 VAL 52 -5.365 -13.840 -3.169 386 HG23 VAL 52 2HG2 VAL 52 -4.510 -13.745 -1.621 387 H GLY 53 H GLY 53 -4.236 -12.750 0.526 388 HA2 GLY 53 2HA GLY 53 -3.680 -14.854 2.369 389 HA3 GLY 53 1HA GLY 53 -2.924 -15.025 0.776 390 H PHE 54 H PHE 54 -0.898 -14.364 0.775 391 HA PHE 54 HA PHE 54 -0.313 -11.961 2.326 392 HB2 PHE 54 2HB PHE 54 1.899 -12.765 2.768 393 HB3 PHE 54 1HB PHE 54 0.639 -14.010 3.111 394 HD1 PHE 54 1HD PHE 54 0.662 -16.115 2.050 395 HD2 PHE 54 2HD PHE 54 3.416 -13.099 0.845 396 HE1 PHE 54 1HE PHE 54 1.931 -17.787 0.768 397 HE2 PHE 54 2HE PHE 54 4.683 -14.765 -0.444 398 HZ PHE 54 HZ PHE 54 3.943 -17.113 -0.482 399 H CYS 55 H CYS 55 1.162 -10.593 1.516 400 HA CYS 55 HA CYS 55 1.109 -10.316 -1.392 401 HB2 CYS 55 2HB CYS 55 2.152 -8.626 0.819 402 HB3 CYS 55 1HB CYS 55 2.355 -8.203 -0.873 403 H ASP 56 H ASP 56 2.769 -10.964 -2.626 404 HA ASP 56 HA ASP 56 5.326 -10.955 -1.177 405 HB2 ASP 56 2HB ASP 56 4.494 -13.218 -2.239 406 HB3 ASP 56 1HB ASP 56 5.153 -12.532 -3.730 407 H MET 57 H MET 57 7.150 -10.984 -3.304 408 HA MET 57 HA MET 57 7.291 -8.152 -3.613 409 HB2 MET 57 2HB MET 57 9.066 -10.352 -4.618 410 HB3 MET 57 1HB MET 57 9.375 -8.654 -4.961 411 HG2 MET 57 2HG MET 57 9.572 -8.166 -2.620 412 HG3 MET 57 1HG MET 57 9.101 -9.806 -2.203 413 HE1 MET 57 3HE MET 57 11.544 -8.698 -5.126 414 HE2 MET 57 1HE MET 57 13.090 -8.712 -4.281 415 HE3 MET 57 2HE MET 57 11.858 -7.528 -3.845 416 H ASN 58 H ASN 58 5.601 -10.237 -5.433 417 HA ASN 58 HA ASN 58 6.009 -8.904 -7.979 418 HB2 ASN 58 2HB ASN 58 5.433 -11.301 -7.947 419 HB3 ASN 58 1HB ASN 58 3.932 -10.942 -7.111 420 HD21 ASN 58 1HD2 ASN 58 5.627 -10.781 -10.156 421 HD22 ASN 58 2HD2 ASN 58 4.215 -10.462 -11.111 422 H GLY 59 H GLY 59 4.185 -8.457 -5.136 423 HA2 GLY 59 2HA GLY 59 2.703 -6.737 -4.586 424 HA3 GLY 59 1HA GLY 59 2.703 -6.237 -6.288 425 H LYS 60 H LYS 60 2.280 -9.470 -5.458 426 HA LYS 60 HA LYS 60 -0.675 -9.482 -5.899 427 HB2 LYS 60 2HB LYS 60 0.750 -10.462 -7.802 428 HB3 LYS 60 1HB LYS 60 1.412 -11.503 -6.525 429 HG2 LYS 60 2HG LYS 60 -0.790 -12.494 -6.184 430 HG3 LYS 60 1HG LYS 60 -1.438 -11.501 -7.490 431 HD2 LYS 60 2HD LYS 60 -0.201 -12.640 -9.123 432 HD3 LYS 60 1HD LYS 60 0.917 -13.308 -7.933 433 HE2 LYS 60 2HE LYS 60 -2.002 -14.051 -8.178 434 HE3 LYS 60 1HE LYS 60 -0.661 -14.998 -8.818 435 HZ1 LYS 60 3HZ LYS 60 0.186 -15.226 -6.510 436 HZ2 LYS 60 1HZ LYS 60 -1.349 -15.878 -6.607 437 HZ3 LYS 60 2HZ LYS 60 -1.063 -14.374 -5.914 438 H CYS 61 H CYS 61 -1.563 -11.055 -5.042 439 HA CYS 61 HA CYS 61 -0.701 -11.562 -2.323 440 HB2 CYS 61 2HB CYS 61 -3.125 -11.203 -3.834 441 HB3 CYS 61 1HB CYS 61 -3.298 -12.299 -2.428 442 H GLU 62 H GLU 62 -0.152 -13.615 -1.879 443 HA GLU 62 HA GLU 62 -0.908 -15.694 -3.709 444 HB2 GLU 62 2HB GLU 62 1.266 -15.781 -1.590 445 HB3 GLU 62 1HB GLU 62 0.988 -16.950 -2.865 446 HG2 GLU 62 2HG GLU 62 2.123 -14.169 -3.120 447 HG3 GLU 62 1HG GLU 62 2.926 -15.698 -3.453
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