NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
614394 | 5mgq | 34069 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 HT1 LYS 1 11.588 6.758 9.951 2 H2 LYS 1 HT2 LYS 1 12.183 5.271 9.474 3 H3 LYS 1 HT3 LYS 1 10.735 5.332 10.328 4 HA LYS 1 HA LYS 1 10.380 4.913 7.994 5 HB2 LYS 1 HB2 LYS 1 9.651 7.768 8.723 6 HB3 LYS 1 HB1 LYS 1 8.941 6.843 7.420 7 HG2 LYS 1 HG2 LYS 1 7.994 5.283 9.068 8 HG3 LYS 1 HG1 LYS 1 8.686 6.264 10.362 9 HD2 LYS 1 HD2 LYS 1 7.388 8.194 9.614 10 HD3 LYS 1 HD1 LYS 1 6.716 7.240 8.295 11 HE2 LYS 1 HE2 LYS 1 5.670 5.736 9.931 12 HE3 LYS 1 HE1 LYS 1 6.339 6.709 11.238 13 HZ1 LYS 1 HZ1 LYS 1 4.482 7.753 9.178 14 HZ2 LYS 1 HZ2 LYS 1 5.004 8.564 10.562 15 HZ3 LYS 1 HZ3 LYS 1 3.997 7.228 10.693 16 H CYS 2 HN CYS 2 10.494 5.896 5.792 17 HA CYS 2 HA CYS 2 12.496 7.928 5.458 18 HB2 CYS 2 HB2 CYS 2 13.535 6.506 3.617 19 HB3 CYS 2 HB1 CYS 2 13.931 6.059 5.282 20 H ASN 3 HN ASN 3 12.543 8.681 3.153 21 HA ASN 3 HA ASN 3 10.042 8.226 1.730 22 HB2 ASN 3 HB2 ASN 3 9.585 9.966 3.481 23 HB3 ASN 3 HB1 ASN 3 10.833 10.970 2.772 24 HD21 ASN 3 HD21 ASN 3 10.321 12.193 1.016 25 HD22 ASN 3 HD22 ASN 3 8.755 12.277 0.301 26 H THR 4 HN THR 4 13.053 7.992 1.370 27 HA THR 4 HA THR 4 13.379 9.794 -0.908 28 HB THR 4 HB THR 4 15.289 9.761 0.665 29 HG1 THR 4 HG1 THR 4 16.305 10.104 -1.117 30 HG21 THR 4 HG21 THR 4 16.673 7.764 0.954 31 HG22 THR 4 HG22 THR 4 15.548 6.839 -0.044 32 HG23 THR 4 HG23 THR 4 15.027 7.460 1.518 33 H ALA 5 HN ALA 5 14.360 8.833 -2.838 34 HA ALA 5 HA ALA 5 12.674 6.816 -3.882 35 HB1 ALA 5 HB1 ALA 5 13.984 7.030 -5.927 36 HB2 ALA 5 HB2 ALA 5 15.219 7.936 -5.050 37 HB3 ALA 5 HB3 ALA 5 13.606 8.617 -5.257 38 H THR 6 HN THR 6 15.641 6.698 -2.271 39 HA THR 6 HA THR 6 16.397 4.091 -3.244 40 HB THR 6 HB THR 6 17.444 5.788 -0.977 41 HG1 THR 6 HG1 THR 6 18.375 5.470 -3.644 42 HG21 THR 6 HG21 THR 6 18.076 3.480 -0.738 43 HG22 THR 6 HG22 THR 6 19.489 4.434 -1.208 44 HG23 THR 6 HG23 THR 6 18.661 3.414 -2.401 45 H CYS 7 HN CYS 7 14.122 5.179 -0.964 46 HA CYS 7 HA CYS 7 14.509 2.753 0.667 47 HB2 CYS 7 HB2 CYS 7 15.343 4.968 1.530 48 HB3 CYS 7 HB1 CYS 7 13.699 5.350 1.756 49 H ALA 8 HN ALA 8 12.278 5.380 -0.247 50 HA ALA 8 HA ALA 8 10.028 4.277 0.966 51 HB1 ALA 8 HB1 ALA 8 10.227 6.085 -1.446 52 HB2 ALA 8 HB2 ALA 8 10.132 6.597 0.241 53 HB3 ALA 8 HB3 ALA 8 8.761 5.778 -0.512 54 H THR 9 HN THR 9 11.753 3.674 -1.891 55 HA THR 9 HA THR 9 9.773 2.253 -3.371 56 HB THR 9 HB THR 9 11.843 1.327 -4.525 57 HG1 THR 9 HG1 THR 9 13.554 3.145 -3.847 58 HG21 THR 9 HG21 THR 9 10.506 3.223 -5.368 59 HG22 THR 9 HG22 THR 9 12.232 3.472 -5.658 60 HG23 THR 9 HG23 THR 9 11.434 4.313 -4.330 61 H GLN 10 HN GLN 10 12.003 1.468 -0.965 62 HA GLN 10 HA GLN 10 11.836 -1.394 -1.151 63 HB2 GLN 10 HB2 GLN 10 12.670 0.207 1.271 64 HB3 GLN 10 HB1 GLN 10 13.103 -1.469 0.919 65 HG2 GLN 10 HG2 GLN 10 14.084 1.067 -0.344 66 HG3 GLN 10 HG1 GLN 10 15.013 -0.122 0.557 67 HE21 GLN 10 HE21 GLN 10 15.412 1.016 -1.986 68 HE22 GLN 10 HE22 GLN 10 15.505 -0.270 -3.147 69 H ARG 11 HN ARG 11 10.399 1.171 0.658 70 HA ARG 11 HA ARG 11 8.715 -0.394 2.395 71 HB2 ARG 11 HB2 ARG 11 7.996 2.345 1.341 72 HB3 ARG 11 HB1 ARG 11 7.542 1.622 2.872 73 HG2 ARG 11 HG2 ARG 11 10.297 2.586 2.112 74 HG3 ARG 11 HG1 ARG 11 9.169 3.411 3.187 75 HD2 ARG 11 HD2 ARG 11 10.421 0.711 3.641 76 HD3 ARG 11 HD1 ARG 11 10.931 2.225 4.387 77 HE ARG 11 HE ARG 11 8.254 1.933 4.939 78 HH11 ARG 11 HH11 ARG 11 11.275 0.264 5.704 79 HH12 ARG 11 HH12 ARG 11 10.711 -0.388 7.170 80 HH21 ARG 11 HH21 ARG 11 7.493 1.071 6.981 81 HH22 ARG 11 HH22 ARG 11 8.509 0.065 7.908 82 H LEU 12 HN LEU 12 8.334 1.010 -0.784 83 HA LEU 12 HA LEU 12 5.749 0.198 -1.372 84 HB2 LEU 12 HB2 LEU 12 8.227 0.690 -2.879 85 HB3 LEU 12 HB1 LEU 12 6.883 0.180 -3.781 86 HG LEU 12 HG LEU 12 7.156 2.747 -2.191 87 HD11 LEU 12 HD11 LEU 12 6.692 2.243 -5.124 88 HD12 LEU 12 HD12 LEU 12 8.219 2.747 -4.407 89 HD13 LEU 12 HD13 LEU 12 6.823 3.819 -4.357 90 HD21 LEU 12 HD21 LEU 12 4.880 1.941 -1.882 91 HD22 LEU 12 HD22 LEU 12 4.724 1.682 -3.615 92 HD23 LEU 12 HD23 LEU 12 4.893 3.319 -2.982 93 H ALA 13 HN ALA 13 8.863 -1.408 -1.673 94 HA ALA 13 HA ALA 13 7.950 -3.645 -3.019 95 HB1 ALA 13 HB1 ALA 13 10.320 -3.067 -2.903 96 HB2 ALA 13 HB2 ALA 13 10.055 -4.726 -2.366 97 HB3 ALA 13 HB3 ALA 13 10.336 -3.448 -1.182 98 H ASN 14 HN ASN 14 8.079 -2.809 0.343 99 HA ASN 14 HA ASN 14 7.348 -5.443 1.319 100 HB2 ASN 14 HB2 ASN 14 7.420 -2.783 2.715 101 HB3 ASN 14 HB1 ASN 14 6.958 -4.310 3.469 102 HD21 ASN 14 HD21 ASN 14 9.512 -4.194 1.147 103 HD22 ASN 14 HD22 ASN 14 10.824 -4.388 2.245 104 H PHE 15 HN PHE 15 5.630 -2.969 -0.160 105 HA PHE 15 HA PHE 15 3.257 -3.351 1.422 106 HB2 PHE 15 HB2 PHE 15 3.083 -1.175 0.833 107 HB3 PHE 15 HB1 PHE 15 4.381 -1.354 -0.341 108 HD1 PHE 15 HD1 PHE 15 3.883 -1.600 -2.674 109 HD2 PHE 15 HD2 PHE 15 0.729 -1.463 0.179 110 HE1 PHE 15 HE1 PHE 15 2.299 -1.309 -4.473 111 HE2 PHE 15 HE2 PHE 15 -0.897 -1.160 -1.642 112 HZ PHE 15 HZ PHE 15 -0.121 -1.081 -3.979 113 H LEU 16 HN LEU 16 4.836 -4.366 -1.425 114 HA LEU 16 HA LEU 16 2.417 -5.723 -2.262 115 HB2 LEU 16 HB2 LEU 16 2.583 -4.750 -4.174 116 HB3 LEU 16 HB1 LEU 16 3.713 -3.736 -3.443 117 HG LEU 16 HG LEU 16 4.713 -6.155 -4.929 118 HD11 LEU 16 HD11 LEU 16 3.423 -4.780 -6.463 119 HD12 LEU 16 HD12 LEU 16 5.154 -4.590 -6.776 120 HD13 LEU 16 HD13 LEU 16 4.267 -3.340 -5.899 121 HD21 LEU 16 HD21 LEU 16 6.231 -5.085 -3.333 122 HD22 LEU 16 HD22 LEU 16 5.931 -3.537 -4.128 123 HD23 LEU 16 HD23 LEU 16 6.758 -4.835 -5.004 124 H VAL 17 HN VAL 17 4.930 -6.399 -0.670 125 HA VAL 17 HA VAL 17 6.307 -8.447 -2.068 126 HB VAL 17 HB VAL 17 7.252 -7.157 -0.196 127 HG11 VAL 17 HG11 VAL 17 6.658 -7.748 2.148 128 HG12 VAL 17 HG12 VAL 17 5.233 -8.589 1.478 129 HG13 VAL 17 HG13 VAL 17 5.426 -6.874 1.236 130 HG21 VAL 17 HG21 VAL 17 7.154 -10.115 0.301 131 HG22 VAL 17 HG22 VAL 17 8.265 -8.964 1.060 132 HG23 VAL 17 HG23 VAL 17 8.327 -9.217 -0.689 133 H HIS 18 HN HIS 18 3.648 -8.331 0.100 134 HA HIS 18 HA HIS 18 2.781 -11.014 -0.611 135 HB2 HIS 18 HB2 HIS 18 3.156 -10.142 2.274 136 HB3 HIS 18 HB1 HIS 18 2.206 -11.538 1.795 137 HD1 HIS 18 HD1 HIS 18 3.477 -13.684 1.245 138 HD2 HIS 18 HD2 HIS 18 5.939 -10.439 2.005 139 HE1 HIS 18 HE1 HIS 18 5.784 -14.643 1.516 140 HE2 HIS 18 HE2 HIS 18 7.265 -12.620 1.645 141 H SER 19 HN SER 19 2.250 -8.051 1.145 142 HA SER 19 HA SER 19 0.651 -6.484 0.964 143 HB2 SER 19 HB2 SER 19 -0.332 -8.308 -1.156 144 HB3 SER 19 HB1 SER 19 -1.007 -6.684 -0.772 145 HG SER 19 HG SER 19 1.128 -5.933 -1.148 146 H SER 20 HN SER 20 0.418 -9.029 2.400 147 HA SER 20 HA SER 20 -2.238 -9.847 2.720 148 HB2 SER 20 HB2 SER 20 0.007 -10.095 4.701 149 HB3 SER 20 HB1 SER 20 -1.434 -11.113 4.581 150 HG SER 20 HG SER 20 -0.714 -11.535 2.375 151 H ASN 21 HN ASN 21 -0.944 -6.967 3.704 152 HA ASN 21 HA ASN 21 -2.959 -6.681 5.795 153 HB2 ASN 21 HB2 ASN 21 -0.148 -5.830 5.608 154 HB3 ASN 21 HB1 ASN 21 -1.245 -4.880 6.645 155 HD21 ASN 21 HD21 ASN 21 0.692 -7.702 6.256 156 HD22 ASN 21 HD22 ASN 21 0.342 -8.411 7.785 157 H ASN 22 HN ASN 22 -2.356 -5.888 2.667 158 HA ASN 22 HA ASN 22 -3.335 -3.157 2.943 159 HB2 ASN 22 HB2 ASN 22 -0.810 -4.067 1.912 160 HB3 ASN 22 HB1 ASN 22 -1.824 -3.071 0.852 161 HD21 ASN 22 HD21 ASN 22 -2.112 -2.817 4.264 162 HD22 ASN 22 HD22 ASN 22 -1.367 -1.311 4.476 163 H PHE 23 HN PHE 23 -2.801 -5.888 0.971 164 HA PHE 23 HA PHE 23 -3.662 -5.176 -1.460 165 HB2 PHE 23 HB2 PHE 23 -4.138 -7.594 -1.816 166 HB3 PHE 23 HB1 PHE 23 -2.612 -7.255 -1.029 167 HD1 PHE 23 HD1 PHE 23 -3.172 -9.807 -0.997 168 HD2 PHE 23 HD2 PHE 23 -4.740 -6.808 1.464 169 HE1 PHE 23 HE1 PHE 23 -3.551 -11.479 0.679 170 HE2 PHE 23 HE2 PHE 23 -5.213 -8.458 3.229 171 HZ PHE 23 HZ PHE 23 -4.627 -10.853 2.849 172 H GLY 24 HN GLY 24 -5.162 -3.899 -1.573 173 HA2 GLY 24 HA2 GLY 24 -7.237 -2.906 -1.616 174 HA3 GLY 24 HA1 GLY 24 -7.923 -4.463 -1.908 175 H ALA 25 HN ALA 25 -6.133 -3.408 0.847 176 HA ALA 25 HA ALA 25 -8.455 -3.760 2.557 177 HB1 ALA 25 HB1 ALA 25 -6.763 -3.799 4.360 178 HB2 ALA 25 HB2 ALA 25 -5.520 -3.501 3.145 179 HB3 ALA 25 HB3 ALA 25 -6.419 -5.022 3.119 180 H ILE 26 HN ILE 26 -5.950 -1.729 1.441 181 HA ILE 26 HA ILE 26 -7.181 0.493 2.740 182 HB ILE 26 HB ILE 26 -5.005 0.222 3.598 183 HG12 ILE 26 HG12 ILE 26 -4.828 2.151 1.382 184 HG13 ILE 26 HG11 ILE 26 -5.599 2.547 2.919 185 HG21 ILE 26 HG21 ILE 26 -4.066 -0.075 0.762 186 HG22 ILE 26 HG22 ILE 26 -4.102 -1.332 1.995 187 HG23 ILE 26 HG23 ILE 26 -2.987 0.028 2.155 188 HD11 ILE 26 HD11 ILE 26 -3.369 3.534 2.865 189 HD12 ILE 26 HD12 ILE 26 -2.659 1.974 2.448 190 HD13 ILE 26 HD13 ILE 26 -3.383 2.218 4.038 191 H LEU 27 HN LEU 27 -5.846 -0.795 -0.328 192 HA LEU 27 HA LEU 27 -5.895 1.732 -1.577 193 HB2 LEU 27 HB2 LEU 27 -5.093 0.506 -3.457 194 HB3 LEU 27 HB1 LEU 27 -4.141 0.361 -1.999 195 HG LEU 27 HG LEU 27 -5.492 -1.909 -1.802 196 HD11 LEU 27 HD11 LEU 27 -5.826 -2.975 -3.971 197 HD12 LEU 27 HD12 LEU 27 -5.444 -1.456 -4.782 198 HD13 LEU 27 HD13 LEU 27 -6.881 -1.578 -3.762 199 HD21 LEU 27 HD21 LEU 27 -3.666 -3.041 -2.895 200 HD22 LEU 27 HD22 LEU 27 -3.096 -1.717 -1.867 201 HD23 LEU 27 HD23 LEU 27 -3.154 -1.520 -3.627 202 H SER 28 HN SER 28 -8.005 -1.014 -1.393 203 HA SER 28 HA SER 28 -8.910 -0.416 -3.827 204 HB2 SER 28 HB2 SER 28 -10.179 -2.136 -1.722 205 HB3 SER 28 HB1 SER 28 -10.911 -1.946 -3.319 206 HG SER 28 HG SER 28 -8.962 -2.626 -4.219 207 H SER 29 HN SER 29 -9.611 0.801 -0.774 208 HA SER 29 HA SER 29 -10.693 2.560 0.084 209 HB2 SER 29 HB2 SER 29 -11.198 3.309 -2.789 210 HB3 SER 29 HB1 SER 29 -11.362 4.398 -1.406 211 HG SER 29 HG SER 29 -9.110 3.495 -2.700 212 H THR 30 HN THR 30 -12.548 0.767 -2.122 213 HA THR 30 HA THR 30 -15.161 1.597 -1.357 214 HB THR 30 HB THR 30 -14.676 0.498 -3.496 215 HG1 THR 30 HG1 THR 30 -16.425 -0.804 -1.690 216 HG21 THR 30 HG21 THR 30 -14.062 -1.920 -3.550 217 HG22 THR 30 HG22 THR 30 -13.949 -1.882 -1.775 218 HG23 THR 30 HG23 THR 30 -12.853 -0.921 -2.726 219 H ASN 31 HN ASN 31 -12.862 0.079 0.512 220 HA ASN 31 HA ASN 31 -14.746 -1.800 1.776 221 HB2 ASN 31 HB2 ASN 31 -12.963 -3.345 1.992 222 HB3 ASN 31 HB1 ASN 31 -13.004 -2.843 0.300 223 HD21 ASN 31 HD21 ASN 31 -11.334 -2.828 3.196 224 HD22 ASN 31 HD22 ASN 31 -9.889 -2.058 2.683 225 H VAL 32 HN VAL 32 -13.292 1.028 2.159 226 HA VAL 32 HA VAL 32 -12.353 0.507 4.889 227 HB VAL 32 HB VAL 32 -11.187 2.565 4.741 228 HG11 VAL 32 HG11 VAL 32 -10.009 0.558 4.017 229 HG12 VAL 32 HG12 VAL 32 -9.449 1.938 3.070 230 HG13 VAL 32 HG13 VAL 32 -10.590 0.790 2.368 231 HG21 VAL 32 HG21 VAL 32 -10.914 3.822 2.618 232 HG22 VAL 32 HG22 VAL 32 -12.567 3.847 3.242 233 HG23 VAL 32 HG23 VAL 32 -12.148 2.788 1.898 234 H GLY 33 HN GLY 33 -15.045 0.773 4.111 235 HA2 GLY 33 HA2 GLY 33 -16.870 1.755 5.300 236 HA3 GLY 33 HA1 GLY 33 -15.853 3.165 5.610 237 H SER 34 HN SER 34 -15.844 1.721 2.559 238 HA SER 34 HA SER 34 -16.181 2.472 0.477 239 HB2 SER 34 HB2 SER 34 -18.799 3.457 1.636 240 HB3 SER 34 HB1 SER 34 -18.472 3.120 -0.066 241 HG SER 34 HG SER 34 -18.606 1.327 2.104 242 H ASN 35 HN ASN 35 -14.409 3.952 0.751 243 HA ASN 35 HA ASN 35 -15.260 6.750 0.588 244 HB2 ASN 35 HB2 ASN 35 -14.371 6.193 2.859 245 HB3 ASN 35 HB1 ASN 35 -12.862 5.721 2.103 246 HD21 ASN 35 HD21 ASN 35 -13.080 7.623 4.069 247 HD22 ASN 35 HD22 ASN 35 -12.574 9.154 3.457 248 H THR 36 HN THR 36 -14.962 6.554 -1.691 249 HA THR 36 HA THR 36 -12.227 6.132 -2.636 250 HB THR 36 HB THR 36 -13.532 6.296 -4.874 251 HG1 THR 36 HG1 THR 36 -15.763 5.273 -3.814 252 HG21 THR 36 HG21 THR 36 -14.191 3.907 -4.729 253 HG22 THR 36 HG22 THR 36 -13.953 3.976 -2.978 254 HG23 THR 36 HG23 THR 36 -12.586 4.210 -4.067 255 H TYC 37 HN TYC 37 -13.206 8.473 -1.171 256 HA TYC 37 HA TYC 37 -13.532 10.524 -3.210 257 HB1 TYC 37 HB1 TYC 37 -14.307 11.933 -1.392 258 HB2 TYC 37 HB2 TYC 37 -13.862 10.700 -0.216 259 HD1 TYC 37 HD1 TYC 37 -16.212 11.526 -2.941 260 HD2 TYC 37 HD2 TYC 37 -15.286 8.843 0.219 261 HE1 TYC 37 HE1 TYC 37 -18.431 10.500 -3.165 262 HE2 TYC 37 HE2 TYC 37 -17.505 7.808 0.003 263 HH TYC 37 HH TYC 37 -19.700 8.371 -0.838 264 HT21 TYC 37 HT21 TYC 37 -11.458 10.771 -3.904 265 HT22 TYC 37 HT22 TYC 37 -10.179 11.406 -2.929 Start of MODEL 2 1 H1 LYS 1 HT1 LYS 1 10.554 5.785 10.425 2 H2 LYS 1 HT2 LYS 1 11.308 7.168 9.797 3 H3 LYS 1 HT3 LYS 1 12.060 5.689 9.659 4 HA LYS 1 HA LYS 1 10.414 4.906 8.152 5 HB2 LYS 1 HB2 LYS 1 9.348 7.744 8.331 6 HB3 LYS 1 HB1 LYS 1 8.737 6.482 7.285 7 HG2 LYS 1 HG2 LYS 1 8.568 6.518 10.296 8 HG3 LYS 1 HG1 LYS 1 7.273 6.932 9.186 9 HD2 LYS 1 HD2 LYS 1 7.336 4.621 8.311 10 HD3 LYS 1 HD1 LYS 1 8.569 4.225 9.510 11 HE2 LYS 1 HE2 LYS 1 7.030 4.887 11.304 12 HE3 LYS 1 HE1 LYS 1 5.796 5.258 10.110 13 HZ1 LYS 1 HZ1 LYS 1 5.808 2.889 9.473 14 HZ2 LYS 1 HZ2 LYS 1 5.397 3.130 11.073 15 HZ3 LYS 1 HZ3 LYS 1 6.945 2.582 10.696 16 H CYS 2 HN CYS 2 10.391 5.893 5.800 17 HA CYS 2 HA CYS 2 12.434 7.881 5.435 18 HB2 CYS 2 HB2 CYS 2 13.517 6.402 3.683 19 HB3 CYS 2 HB1 CYS 2 13.847 5.981 5.371 20 H ASN 3 HN ASN 3 12.455 8.732 3.310 21 HA ASN 3 HA ASN 3 10.035 8.254 1.715 22 HB2 ASN 3 HB2 ASN 3 10.791 10.904 2.958 23 HB3 ASN 3 HB1 ASN 3 9.734 10.790 1.564 24 HD21 ASN 3 HD21 ASN 3 10.059 10.238 4.944 25 HD22 ASN 3 HD22 ASN 3 8.383 9.991 5.274 26 H THR 4 HN THR 4 13.003 7.945 1.469 27 HA THR 4 HA THR 4 13.462 9.759 -0.768 28 HB THR 4 HB THR 4 15.323 9.642 0.842 29 HG1 THR 4 HG1 THR 4 16.651 9.727 -0.741 30 HG21 THR 4 HG21 THR 4 16.586 7.570 1.199 31 HG22 THR 4 HG22 THR 4 15.440 6.706 0.178 32 HG23 THR 4 HG23 THR 4 14.908 7.376 1.720 33 H ALA 5 HN ALA 5 14.341 8.850 -2.705 34 HA ALA 5 HA ALA 5 12.677 6.841 -3.793 35 HB1 ALA 5 HB1 ALA 5 13.973 7.129 -5.836 36 HB2 ALA 5 HB2 ALA 5 15.204 8.019 -4.935 37 HB3 ALA 5 HB3 ALA 5 13.586 8.696 -5.119 38 H THR 6 HN THR 6 15.638 6.721 -2.171 39 HA THR 6 HA THR 6 16.477 4.181 -3.203 40 HB THR 6 HB THR 6 17.374 5.781 -0.811 41 HG1 THR 6 HG1 THR 6 17.677 6.084 -3.481 42 HG21 THR 6 HG21 THR 6 19.485 4.505 -1.084 43 HG22 THR 6 HG22 THR 6 18.691 3.516 -2.326 44 HG23 THR 6 HG23 THR 6 18.087 3.517 -0.659 45 H CYS 7 HN CYS 7 14.166 5.188 -0.864 46 HA CYS 7 HA CYS 7 14.540 2.683 0.692 47 HB2 CYS 7 HB2 CYS 7 15.232 4.977 1.646 48 HB3 CYS 7 HB1 CYS 7 13.572 5.207 1.782 49 H ALA 8 HN ALA 8 12.284 5.303 -0.182 50 HA ALA 8 HA ALA 8 10.061 4.108 1.017 51 HB1 ALA 8 HB1 ALA 8 10.224 6.130 -1.216 52 HB2 ALA 8 HB2 ALA 8 10.136 6.458 0.520 53 HB3 ALA 8 HB3 ALA 8 8.762 5.716 -0.307 54 H THR 9 HN THR 9 11.747 3.692 -1.883 55 HA THR 9 HA THR 9 9.755 2.387 -3.447 56 HB THR 9 HB THR 9 11.819 1.501 -4.622 57 HG1 THR 9 HG1 THR 9 13.658 3.020 -3.913 58 HG21 THR 9 HG21 THR 9 12.274 3.708 -5.634 59 HG22 THR 9 HG22 THR 9 11.491 4.489 -4.267 60 HG23 THR 9 HG23 THR 9 10.539 3.489 -5.372 61 H GLN 10 HN GLN 10 12.006 1.453 -1.095 62 HA GLN 10 HA GLN 10 11.779 -1.402 -1.377 63 HB2 GLN 10 HB2 GLN 10 12.721 0.111 1.061 64 HB3 GLN 10 HB1 GLN 10 13.112 -1.552 0.623 65 HG2 GLN 10 HG2 GLN 10 14.032 0.971 -0.719 66 HG3 GLN 10 HG1 GLN 10 14.997 -0.129 0.255 67 HE21 GLN 10 HE21 GLN 10 15.236 0.821 -2.436 68 HE22 GLN 10 HE22 GLN 10 15.379 -0.574 -3.453 69 H ARG 11 HN ARG 11 10.418 1.138 0.521 70 HA ARG 11 HA ARG 11 8.773 -0.494 2.201 71 HB2 ARG 11 HB2 ARG 11 8.139 2.338 1.341 72 HB3 ARG 11 HB1 ARG 11 7.557 1.506 2.774 73 HG2 ARG 11 HG2 ARG 11 10.361 2.460 2.233 74 HG3 ARG 11 HG1 ARG 11 9.239 3.087 3.438 75 HD2 ARG 11 HD2 ARG 11 10.508 0.367 3.363 76 HD3 ARG 11 HD1 ARG 11 10.922 1.702 4.442 77 HE ARG 11 HE ARG 11 8.488 1.449 5.183 78 HH11 ARG 11 HH11 ARG 11 10.542 -1.264 4.274 79 HH12 ARG 11 HH12 ARG 11 9.756 -2.398 5.258 80 HH21 ARG 11 HH21 ARG 11 7.417 -0.069 6.561 81 HH22 ARG 11 HH22 ARG 11 7.945 -1.683 6.650 82 H LEU 12 HN LEU 12 8.361 1.001 -0.933 83 HA LEU 12 HA LEU 12 5.773 0.191 -1.505 84 HB2 LEU 12 HB2 LEU 12 8.238 0.669 -3.033 85 HB3 LEU 12 HB1 LEU 12 6.882 0.197 -3.929 86 HG LEU 12 HG LEU 12 7.254 2.746 -2.337 87 HD11 LEU 12 HD11 LEU 12 8.188 2.717 -4.605 88 HD12 LEU 12 HD12 LEU 12 6.843 3.842 -4.467 89 HD13 LEU 12 HD13 LEU 12 6.605 2.277 -5.242 90 HD21 LEU 12 HD21 LEU 12 4.975 2.019 -1.884 91 HD22 LEU 12 HD22 LEU 12 4.698 1.743 -3.598 92 HD23 LEU 12 HD23 LEU 12 4.949 3.380 -3.004 93 H ALA 13 HN ALA 13 8.886 -1.420 -1.838 94 HA ALA 13 HA ALA 13 7.949 -3.677 -3.124 95 HB1 ALA 13 HB1 ALA 13 10.056 -4.769 -2.450 96 HB2 ALA 13 HB2 ALA 13 10.358 -3.458 -1.313 97 HB3 ALA 13 HB3 ALA 13 10.332 -3.132 -3.045 98 H ASN 14 HN ASN 14 8.111 -2.778 0.226 99 HA ASN 14 HA ASN 14 7.318 -5.357 1.300 100 HB2 ASN 14 HB2 ASN 14 7.544 -2.638 2.574 101 HB3 ASN 14 HB1 ASN 14 6.970 -4.064 3.429 102 HD21 ASN 14 HD21 ASN 14 9.550 -4.188 1.090 103 HD22 ASN 14 HD22 ASN 14 10.825 -4.499 2.191 104 H PHE 15 HN PHE 15 5.655 -2.968 -0.333 105 HA PHE 15 HA PHE 15 3.323 -3.031 1.325 106 HB2 PHE 15 HB2 PHE 15 3.393 -0.889 0.584 107 HB3 PHE 15 HB1 PHE 15 4.548 -1.303 -0.667 108 HD1 PHE 15 HD1 PHE 15 3.798 -1.791 -2.915 109 HD2 PHE 15 HD2 PHE 15 1.007 -0.795 0.143 110 HE1 PHE 15 HE1 PHE 15 2.121 -1.399 -4.613 111 HE2 PHE 15 HE2 PHE 15 -0.717 -0.389 -1.570 112 HZ PHE 15 HZ PHE 15 -0.170 -0.685 -3.958 113 H LEU 16 HN LEU 16 4.798 -4.490 -1.382 114 HA LEU 16 HA LEU 16 2.297 -5.805 -1.973 115 HB2 LEU 16 HB2 LEU 16 2.406 -5.142 -4.004 116 HB3 LEU 16 HB1 LEU 16 3.466 -3.967 -3.414 117 HG LEU 16 HG LEU 16 4.635 -6.474 -4.624 118 HD11 LEU 16 HD11 LEU 16 3.195 -5.369 -6.274 119 HD12 LEU 16 HD12 LEU 16 4.904 -5.198 -6.677 120 HD13 LEU 16 HD13 LEU 16 4.023 -3.844 -5.961 121 HD21 LEU 16 HD21 LEU 16 6.097 -5.097 -3.216 122 HD22 LEU 16 HD22 LEU 16 5.668 -3.686 -4.186 123 HD23 LEU 16 HD23 LEU 16 6.578 -5.011 -4.917 124 H VAL 17 HN VAL 17 4.756 -6.423 -0.357 125 HA VAL 17 HA VAL 17 6.347 -8.279 -1.776 126 HB VAL 17 HB VAL 17 7.181 -6.950 0.089 127 HG11 VAL 17 HG11 VAL 17 5.635 -8.755 1.925 128 HG12 VAL 17 HG12 VAL 17 5.348 -7.067 1.627 129 HG13 VAL 17 HG13 VAL 17 6.847 -7.569 2.430 130 HG21 VAL 17 HG21 VAL 17 7.593 -9.917 0.235 131 HG22 VAL 17 HG22 VAL 17 8.521 -8.770 1.206 132 HG23 VAL 17 HG23 VAL 17 8.589 -8.691 -0.556 133 H HIS 18 HN HIS 18 4.133 -8.993 0.870 134 HA HIS 18 HA HIS 18 3.689 -11.638 -0.381 135 HB2 HIS 18 HB2 HIS 18 3.757 -11.027 2.604 136 HB3 HIS 18 HB1 HIS 18 3.182 -12.535 1.912 137 HD1 HIS 18 HD1 HIS 18 4.908 -14.317 2.200 138 HD2 HIS 18 HD2 HIS 18 6.473 -10.577 1.553 139 HE1 HIS 18 HE1 HIS 18 7.382 -14.648 2.313 140 HE2 HIS 18 HE2 HIS 18 8.340 -12.336 2.113 141 H SER 19 HN SER 19 2.571 -8.868 -0.274 142 HA SER 19 HA SER 19 0.038 -9.019 0.965 143 HB2 SER 19 HB2 SER 19 0.963 -7.137 -1.180 144 HB3 SER 19 HB1 SER 19 -0.256 -6.856 0.062 145 HG SER 19 HG SER 19 1.668 -5.871 0.575 146 H SER 20 HN SER 20 1.246 -10.637 -1.607 147 HA SER 20 HA SER 20 -0.099 -10.260 -3.955 148 HB2 SER 20 HB2 SER 20 0.530 -12.939 -2.778 149 HB3 SER 20 HB1 SER 20 0.688 -12.412 -4.463 150 HG SER 20 HG SER 20 2.495 -11.259 -3.955 151 H ASN 21 HN ASN 21 -1.078 -11.811 -1.128 152 HA ASN 21 HA ASN 21 -3.360 -13.276 -2.035 153 HB2 ASN 21 HB2 ASN 21 -2.220 -12.554 0.576 154 HB3 ASN 21 HB1 ASN 21 -3.868 -13.215 0.567 155 HD21 ASN 21 HD21 ASN 21 -1.430 -14.285 1.693 156 HD22 ASN 21 HD22 ASN 21 -1.162 -15.827 0.968 157 H ASN 22 HN ASN 22 -2.860 -10.034 -1.228 158 HA ASN 22 HA ASN 22 -5.738 -9.540 -1.312 159 HB2 ASN 22 HB2 ASN 22 -3.588 -8.450 0.400 160 HB3 ASN 22 HB1 ASN 22 -5.067 -7.515 0.263 161 HD21 ASN 22 HD21 ASN 22 -6.453 -10.336 0.103 162 HD22 ASN 22 HD22 ASN 22 -6.495 -10.904 1.695 163 H PHE 23 HN PHE 23 -3.308 -9.621 -3.029 164 HA PHE 23 HA PHE 23 -3.517 -7.020 -4.335 165 HB2 PHE 23 HB2 PHE 23 -1.471 -8.652 -3.389 166 HB3 PHE 23 HB1 PHE 23 -1.152 -8.490 -5.074 167 HD1 PHE 23 HD1 PHE 23 -0.245 -6.317 -5.784 168 HD2 PHE 23 HD2 PHE 23 -1.956 -6.814 -1.954 169 HE1 PHE 23 HE1 PHE 23 0.530 -4.070 -5.150 170 HE2 PHE 23 HE2 PHE 23 -1.223 -4.659 -1.280 171 HZ PHE 23 HZ PHE 23 0.054 -3.210 -2.881 172 H GLY 24 HN GLY 24 -5.220 -9.263 -4.577 173 HA2 GLY 24 HA2 GLY 24 -6.381 -9.839 -6.545 174 HA3 GLY 24 HA1 GLY 24 -4.956 -9.908 -7.486 175 H ALA 25 HN ALA 25 -6.182 -11.224 -4.502 176 HA ALA 25 HA ALA 25 -5.844 -13.919 -5.607 177 HB1 ALA 25 HB1 ALA 25 -5.763 -14.652 -3.206 178 HB2 ALA 25 HB2 ALA 25 -5.752 -12.943 -2.733 179 HB3 ALA 25 HB3 ALA 25 -4.428 -13.603 -3.677 180 H ILE 26 HN ILE 26 -7.504 -12.117 -3.203 181 HA ILE 26 HA ILE 26 -9.966 -13.327 -3.583 182 HB ILE 26 HB ILE 26 -9.695 -12.418 -1.458 183 HG12 ILE 26 HG12 ILE 26 -11.095 -10.308 -2.951 184 HG13 ILE 26 HG11 ILE 26 -11.894 -11.786 -2.399 185 HG21 ILE 26 HG21 ILE 26 -8.642 -9.948 -2.757 186 HG22 ILE 26 HG22 ILE 26 -7.720 -11.065 -1.739 187 HG23 ILE 26 HG23 ILE 26 -8.968 -10.038 -1.034 188 HD11 ILE 26 HD11 ILE 26 -11.400 -11.050 -0.042 189 HD12 ILE 26 HD12 ILE 26 -12.500 -9.975 -0.902 190 HD13 ILE 26 HD13 ILE 26 -10.805 -9.523 -0.698 191 H LEU 27 HN LEU 27 -8.432 -10.369 -4.752 192 HA LEU 27 HA LEU 27 -10.576 -9.317 -6.230 193 HB2 LEU 27 HB2 LEU 27 -9.037 -7.718 -6.062 194 HB3 LEU 27 HB1 LEU 27 -7.733 -8.832 -5.851 195 HG LEU 27 HG LEU 27 -7.615 -9.021 -8.363 196 HD11 LEU 27 HD11 LEU 27 -8.592 -7.326 -9.680 197 HD12 LEU 27 HD12 LEU 27 -9.469 -6.673 -8.276 198 HD13 LEU 27 HD13 LEU 27 -9.836 -8.303 -8.897 199 HD21 LEU 27 HD21 LEU 27 -7.222 -6.287 -7.174 200 HD22 LEU 27 HD22 LEU 27 -6.493 -6.878 -8.665 201 HD23 LEU 27 HD23 LEU 27 -6.072 -7.623 -7.122 202 H SER 28 HN SER 28 -7.998 -11.469 -7.018 203 HA SER 28 HA SER 28 -8.711 -11.715 -9.763 204 HB2 SER 28 HB2 SER 28 -6.441 -12.181 -8.947 205 HB3 SER 28 HB1 SER 28 -7.045 -13.590 -8.075 206 HG SER 28 HG SER 28 -7.551 -13.357 -10.807 207 H SER 29 HN SER 29 -9.581 -13.450 -6.856 208 HA SER 29 HA SER 29 -11.259 -14.727 -6.290 209 HB2 SER 29 HB2 SER 29 -12.602 -13.235 -7.559 210 HB3 SER 29 HB1 SER 29 -12.374 -14.157 -9.046 211 HG SER 29 HG SER 29 -14.360 -14.622 -8.039 212 H THR 30 HN THR 30 -9.326 -15.597 -8.852 213 HA THR 30 HA THR 30 -10.144 -18.272 -9.133 214 HB THR 30 HB THR 30 -8.659 -17.174 -10.778 215 HG1 THR 30 HG1 THR 30 -6.946 -18.854 -10.770 216 HG21 THR 30 HG21 THR 30 -6.294 -16.745 -10.263 217 HG22 THR 30 HG22 THR 30 -6.583 -17.278 -8.599 218 HG23 THR 30 HG23 THR 30 -7.379 -15.832 -9.200 219 H ASN 31 HN ASN 31 -8.491 -16.553 -6.616 220 HA ASN 31 HA ASN 31 -7.404 -18.988 -5.490 221 HB2 ASN 31 HB2 ASN 31 -7.314 -16.130 -4.524 222 HB3 ASN 31 HB1 ASN 31 -6.637 -17.476 -3.620 223 HD21 ASN 31 HD21 ASN 31 -4.654 -16.628 -3.706 224 HD22 ASN 31 HD22 ASN 31 -3.661 -16.582 -5.130 225 H VAL 32 HN VAL 32 -10.224 -17.280 -5.419 226 HA VAL 32 HA VAL 32 -10.992 -18.181 -2.763 227 HB VAL 32 HB VAL 32 -12.694 -16.753 -4.846 228 HG11 VAL 32 HG11 VAL 32 -14.065 -16.073 -2.916 229 HG12 VAL 32 HG12 VAL 32 -13.045 -17.061 -1.869 230 HG13 VAL 32 HG13 VAL 32 -14.015 -17.825 -3.127 231 HG21 VAL 32 HG21 VAL 32 -10.738 -15.398 -4.300 232 HG22 VAL 32 HG22 VAL 32 -11.105 -15.548 -2.581 233 HG23 VAL 32 HG23 VAL 32 -12.208 -14.677 -3.644 234 H GLY 33 HN GLY 33 -10.975 -19.238 -5.942 235 HA2 GLY 33 HA2 GLY 33 -11.552 -21.374 -6.700 236 HA3 GLY 33 HA1 GLY 33 -12.537 -21.584 -5.254 237 H SER 34 HN SER 34 -12.894 -18.685 -6.987 238 HA SER 34 HA SER 34 -15.501 -19.631 -7.932 239 HB2 SER 34 HB2 SER 34 -14.524 -16.805 -7.523 240 HB3 SER 34 HB1 SER 34 -16.185 -17.308 -7.846 241 HG SER 34 HG SER 34 -16.091 -18.497 -5.888 242 H ASN 35 HN ASN 35 -12.620 -17.851 -8.890 243 HA ASN 35 HA ASN 35 -13.482 -17.943 -11.685 244 HB2 ASN 35 HB2 ASN 35 -11.468 -16.231 -10.254 245 HB3 ASN 35 HB1 ASN 35 -11.417 -16.409 -12.001 246 HD21 ASN 35 HD21 ASN 35 -11.839 -14.216 -12.241 247 HD22 ASN 35 HD22 ASN 35 -13.404 -13.539 -11.993 248 H THR 36 HN THR 36 -12.398 -20.238 -10.133 249 HA THR 36 HA THR 36 -9.918 -20.833 -11.386 250 HB THR 36 HB THR 36 -10.926 -23.173 -10.434 251 HG1 THR 36 HG1 THR 36 -12.372 -22.826 -8.929 252 HG21 THR 36 HG21 THR 36 -9.642 -22.705 -8.382 253 HG22 THR 36 HG22 THR 36 -9.594 -20.994 -8.807 254 HG23 THR 36 HG23 THR 36 -8.764 -22.179 -9.816 255 H TYC 37 HN ATY 37 -10.189 -20.859 -13.555 256 HA TYC 37 HA ATY 37 -12.280 -22.614 -14.613 257 HB1 TYC 37 HB1 ATY 37 -12.295 -21.250 -16.648 258 HB2 TYC 37 HB2 ATY 37 -10.993 -20.258 -16.022 259 HD1 TYC 37 HD1 ATY 37 -11.699 -18.147 -15.455 260 HD2 TYC 37 HD2 ATY 37 -14.281 -21.422 -14.645 261 HE1 TYC 37 HE1 ATY 37 -13.313 -16.612 -14.416 262 HE2 TYC 37 HE2 ATY 37 -15.910 -19.895 -13.610 263 HH TYC 37 HH ATY 37 -15.875 -17.652 -12.515 264 HT21 TYC 37 HT21 ATY 37 -9.293 -21.236 -15.906 265 HT22 TYC 37 HT22 ATY 37 -8.617 -22.756 -16.386 Start of MODEL 3 1 H1 LYS 1 HT1 LYS 1 9.571 3.948 8.638 2 H2 LYS 1 HT2 LYS 1 7.881 3.849 8.486 3 H3 LYS 1 HT3 LYS 1 8.655 5.350 8.674 4 HA LYS 1 HA LYS 1 9.114 3.540 6.418 5 HB2 LYS 1 HB2 LYS 1 7.793 5.091 5.063 6 HB3 LYS 1 HB1 LYS 1 6.818 4.411 6.350 7 HG2 LYS 1 HG2 LYS 1 6.840 6.453 7.562 8 HG3 LYS 1 HG1 LYS 1 8.093 7.127 6.522 9 HD2 LYS 1 HD2 LYS 1 5.899 8.051 5.967 10 HD3 LYS 1 HD1 LYS 1 6.550 7.109 4.629 11 HE2 LYS 1 HE2 LYS 1 5.129 5.208 5.340 12 HE3 LYS 1 HE1 LYS 1 4.456 6.233 6.609 13 HZ1 LYS 1 HZ1 LYS 1 3.009 6.212 4.682 14 HZ2 LYS 1 HZ2 LYS 1 4.266 6.715 3.691 15 HZ3 LYS 1 HZ3 LYS 1 3.675 7.752 4.855 16 H CYS 2 HN CYS 2 9.668 5.422 4.562 17 HA CYS 2 HA CYS 2 11.521 7.347 5.582 18 HB2 CYS 2 HB2 CYS 2 13.272 6.362 3.936 19 HB3 CYS 2 HB1 CYS 2 13.090 5.621 5.523 20 H ASN 3 HN ASN 3 12.510 8.505 3.500 21 HA ASN 3 HA ASN 3 10.135 8.829 1.786 22 HB2 ASN 3 HB2 ASN 3 10.205 11.267 2.015 23 HB3 ASN 3 HB1 ASN 3 9.935 10.484 3.563 24 HD21 ASN 3 HD21 ASN 3 11.533 10.599 5.138 25 HD22 ASN 3 HD22 ASN 3 12.858 11.698 5.026 26 H THR 4 HN THR 4 13.103 7.983 1.549 27 HA THR 4 HA THR 4 13.677 9.790 -0.648 28 HB THR 4 HB THR 4 15.537 9.618 0.925 29 HG1 THR 4 HG1 THR 4 16.509 9.834 -0.908 30 HG21 THR 4 HG21 THR 4 15.493 6.676 0.316 31 HG22 THR 4 HG22 THR 4 15.013 7.412 1.848 32 HG23 THR 4 HG23 THR 4 16.700 7.497 1.306 33 H ALA 5 HN ALA 5 14.385 8.888 -2.605 34 HA ALA 5 HA ALA 5 12.701 6.887 -3.673 35 HB1 ALA 5 HB1 ALA 5 13.586 8.743 -4.979 36 HB2 ALA 5 HB2 ALA 5 13.998 7.189 -5.712 37 HB3 ALA 5 HB3 ALA 5 15.212 8.089 -4.794 38 H THR 6 HN THR 6 15.719 6.758 -2.145 39 HA THR 6 HA THR 6 16.601 4.259 -3.210 40 HB THR 6 HB THR 6 17.404 5.725 -0.700 41 HG1 THR 6 HG1 THR 6 17.765 6.257 -3.368 42 HG21 THR 6 HG21 THR 6 18.226 3.479 -0.823 43 HG22 THR 6 HG22 THR 6 19.572 4.604 -1.089 44 HG23 THR 6 HG23 THR 6 18.847 3.736 -2.454 45 H CYS 7 HN CYS 7 14.246 5.178 -0.894 46 HA CYS 7 HA CYS 7 14.629 2.675 0.644 47 HB2 CYS 7 HB2 CYS 7 15.389 4.904 1.616 48 HB3 CYS 7 HB1 CYS 7 13.748 5.256 1.685 49 H ALA 8 HN ALA 8 12.351 5.336 -0.097 50 HA ALA 8 HA ALA 8 10.127 4.069 1.039 51 HB1 ALA 8 HB1 ALA 8 8.833 5.733 -0.208 52 HB2 ALA 8 HB2 ALA 8 10.305 6.194 -1.091 53 HB3 ALA 8 HB3 ALA 8 10.200 6.430 0.658 54 H THR 9 HN THR 9 11.786 3.762 -1.867 55 HA THR 9 HA THR 9 9.733 2.509 -3.428 56 HB THR 9 HB THR 9 11.690 1.639 -4.760 57 HG1 THR 9 HG1 THR 9 13.544 3.287 -3.952 58 HG21 THR 9 HG21 THR 9 11.496 4.609 -4.234 59 HG22 THR 9 HG22 THR 9 10.469 3.696 -5.341 60 HG23 THR 9 HG23 THR 9 12.193 3.877 -5.677 61 H GLN 10 HN GLN 10 12.018 1.480 -1.177 62 HA GLN 10 HA GLN 10 11.836 -1.369 -1.575 63 HB2 GLN 10 HB2 GLN 10 12.734 0.077 0.929 64 HB3 GLN 10 HB1 GLN 10 13.151 -1.570 0.457 65 HG2 GLN 10 HG2 GLN 10 14.041 0.978 -0.877 66 HG3 GLN 10 HG1 GLN 10 15.012 -0.038 0.176 67 HE21 GLN 10 HE21 GLN 10 15.295 0.816 -2.559 68 HE22 GLN 10 HE22 GLN 10 15.533 -0.612 -3.516 69 H ARG 11 HN ARG 11 10.499 1.066 0.459 70 HA ARG 11 HA ARG 11 8.893 -0.616 2.137 71 HB2 ARG 11 HB2 ARG 11 8.247 2.238 1.412 72 HB3 ARG 11 HB1 ARG 11 7.763 1.362 2.854 73 HG2 ARG 11 HG2 ARG 11 10.552 2.263 2.152 74 HG3 ARG 11 HG1 ARG 11 9.510 2.952 3.390 75 HD2 ARG 11 HD2 ARG 11 10.601 0.157 3.355 76 HD3 ARG 11 HD1 ARG 11 11.239 1.525 4.274 77 HE ARG 11 HE ARG 11 8.560 1.277 4.930 78 HH11 ARG 11 HH11 ARG 11 11.473 -0.734 5.370 79 HH12 ARG 11 HH12 ARG 11 10.946 -1.378 6.848 80 HH21 ARG 11 HH21 ARG 11 7.878 0.383 6.948 81 HH22 ARG 11 HH22 ARG 11 8.854 -0.730 7.772 82 H LEU 12 HN LEU 12 8.412 0.961 -0.930 83 HA LEU 12 HA LEU 12 5.739 0.323 -1.395 84 HB2 LEU 12 HB2 LEU 12 8.153 0.724 -3.001 85 HB3 LEU 12 HB1 LEU 12 6.764 0.362 -3.879 86 HG LEU 12 HG LEU 12 7.338 2.822 -2.220 87 HD11 LEU 12 HD11 LEU 12 6.932 4.002 -4.300 88 HD12 LEU 12 HD12 LEU 12 6.519 2.484 -5.091 89 HD13 LEU 12 HD13 LEU 12 8.162 2.760 -4.542 90 HD21 LEU 12 HD21 LEU 12 5.038 2.223 -1.688 91 HD22 LEU 12 HD22 LEU 12 4.671 2.033 -3.401 92 HD23 LEU 12 HD23 LEU 12 5.058 3.626 -2.756 93 H ALA 13 HN ALA 13 8.763 -1.418 -1.955 94 HA ALA 13 HA ALA 13 7.562 -3.574 -3.250 95 HB1 ALA 13 HB1 ALA 13 9.938 -3.105 -3.495 96 HB2 ALA 13 HB2 ALA 13 9.703 -4.749 -2.906 97 HB3 ALA 13 HB3 ALA 13 10.200 -3.474 -1.793 98 H ASN 14 HN ASN 14 8.107 -2.750 0.030 99 HA ASN 14 HA ASN 14 7.420 -5.324 1.209 100 HB2 ASN 14 HB2 ASN 14 7.817 -2.585 2.395 101 HB3 ASN 14 HB1 ASN 14 7.297 -3.967 3.343 102 HD21 ASN 14 HD21 ASN 14 9.597 -4.234 0.756 103 HD22 ASN 14 HD22 ASN 14 10.983 -4.540 1.733 104 H PHE 15 HN PHE 15 5.604 -2.973 -0.284 105 HA PHE 15 HA PHE 15 3.415 -3.129 1.574 106 HB2 PHE 15 HB2 PHE 15 3.331 -0.982 0.851 107 HB3 PHE 15 HB1 PHE 15 4.420 -1.341 -0.484 108 HD1 PHE 15 HD1 PHE 15 3.566 -1.729 -2.671 109 HD2 PHE 15 HD2 PHE 15 0.898 -1.130 0.585 110 HE1 PHE 15 HE1 PHE 15 1.728 -1.451 -4.255 111 HE2 PHE 15 HE2 PHE 15 -0.962 -0.837 -0.992 112 HZ PHE 15 HZ PHE 15 -0.556 -0.996 -3.419 113 H LEU 16 HN LEU 16 4.736 -4.485 -1.257 114 HA LEU 16 HA LEU 16 2.293 -5.899 -1.624 115 HB2 LEU 16 HB2 LEU 16 2.128 -5.239 -3.651 116 HB3 LEU 16 HB1 LEU 16 3.136 -3.972 -3.150 117 HG LEU 16 HG LEU 16 4.263 -6.350 -4.629 118 HD11 LEU 16 HD11 LEU 16 3.457 -3.626 -5.642 119 HD12 LEU 16 HD12 LEU 16 2.675 -5.157 -6.039 120 HD13 LEU 16 HD13 LEU 16 4.328 -4.846 -6.567 121 HD21 LEU 16 HD21 LEU 16 6.175 -4.872 -4.971 122 HD22 LEU 16 HD22 LEU 16 5.849 -5.095 -3.245 123 HD23 LEU 16 HD23 LEU 16 5.353 -3.606 -4.054 124 H VAL 17 HN VAL 17 4.680 -6.533 -0.143 125 HA VAL 17 HA VAL 17 6.344 -8.268 -1.655 126 HB VAL 17 HB VAL 17 7.262 -6.980 0.158 127 HG11 VAL 17 HG11 VAL 17 5.346 -7.054 1.692 128 HG12 VAL 17 HG12 VAL 17 6.885 -7.371 2.492 129 HG13 VAL 17 HG13 VAL 17 5.778 -8.695 2.148 130 HG21 VAL 17 HG21 VAL 17 8.548 -8.804 1.320 131 HG22 VAL 17 HG22 VAL 17 8.539 -8.828 -0.440 132 HG23 VAL 17 HG23 VAL 17 7.524 -9.954 0.443 133 H HIS 18 HN HIS 18 4.379 -9.142 1.129 134 HA HIS 18 HA HIS 18 4.120 -11.850 -0.021 135 HB2 HIS 18 HB2 HIS 18 3.568 -10.893 2.816 136 HB3 HIS 18 HB1 HIS 18 3.187 -12.494 2.228 137 HD1 HIS 18 HD1 HIS 18 4.775 -14.000 3.353 138 HD2 HIS 18 HD2 HIS 18 6.567 -10.546 1.973 139 HE1 HIS 18 HE1 HIS 18 7.210 -14.285 3.882 140 HE2 HIS 18 HE2 HIS 18 8.320 -12.327 2.804 141 H SER 19 HN SER 19 2.810 -9.040 -0.106 142 HA SER 19 HA SER 19 0.218 -9.313 0.681 143 HB2 SER 19 HB2 SER 19 1.321 -7.494 -1.394 144 HB3 SER 19 HB1 SER 19 -0.065 -7.195 -0.349 145 HG SER 19 HG SER 19 1.568 -6.159 0.612 146 H SER 20 HN SER 20 1.946 -10.583 -1.946 147 HA SER 20 HA SER 20 0.293 -10.450 -4.224 148 HB2 SER 20 HB2 SER 20 2.246 -12.570 -3.434 149 HB3 SER 20 HB1 SER 20 1.816 -12.084 -5.083 150 HG SER 20 HG SER 20 3.838 -11.191 -4.165 151 H ASN 21 HN ASN 21 -0.277 -11.846 -1.458 152 HA ASN 21 HA ASN 21 -1.711 -14.250 -2.348 153 HB2 ASN 21 HB2 ASN 21 -0.983 -13.162 0.331 154 HB3 ASN 21 HB1 ASN 21 -2.208 -14.438 0.205 155 HD21 ASN 21 HD21 ASN 21 1.119 -13.628 0.232 156 HD22 ASN 21 HD22 ASN 21 1.740 -15.217 0.024 157 H ASN 22 HN ASN 22 -2.222 -11.043 -1.968 158 HA ASN 22 HA ASN 22 -5.124 -11.348 -1.959 159 HB2 ASN 22 HB2 ASN 22 -3.327 -9.545 -0.462 160 HB3 ASN 22 HB1 ASN 22 -4.739 -8.782 -1.163 161 HD21 ASN 22 HD21 ASN 22 -4.841 -12.113 -0.152 162 HD22 ASN 22 HD22 ASN 22 -5.823 -11.864 1.225 163 H PHE 23 HN PHE 23 -2.407 -9.455 -2.735 164 HA PHE 23 HA PHE 23 -3.261 -7.904 -4.823 165 HB2 PHE 23 HB2 PHE 23 -0.900 -8.990 -3.756 166 HB3 PHE 23 HB1 PHE 23 -0.539 -8.467 -5.354 167 HD1 PHE 23 HD1 PHE 23 -0.290 -6.019 -5.657 168 HD2 PHE 23 HD2 PHE 23 -1.880 -7.603 -2.060 169 HE1 PHE 23 HE1 PHE 23 -0.151 -3.793 -4.612 170 HE2 PHE 23 HE2 PHE 23 -1.749 -5.466 -1.004 171 HZ PHE 23 HZ PHE 23 -0.879 -3.490 -2.270 172 H GLY 24 HN GLY 24 -4.435 -8.722 -6.130 173 HA2 GLY 24 HA2 GLY 24 -5.286 -9.735 -7.942 174 HA3 GLY 24 HA1 GLY 24 -3.729 -10.146 -8.532 175 H ALA 25 HN ALA 25 -5.184 -11.037 -5.494 176 HA ALA 25 HA ALA 25 -5.522 -13.777 -6.422 177 HB1 ALA 25 HB1 ALA 25 -4.108 -13.508 -4.452 178 HB2 ALA 25 HB2 ALA 25 -5.624 -14.295 -3.986 179 HB3 ALA 25 HB3 ALA 25 -5.370 -12.579 -3.653 180 H ILE 26 HN ILE 26 -6.805 -11.272 -4.448 181 HA ILE 26 HA ILE 26 -9.453 -12.100 -4.947 182 HB ILE 26 HB ILE 26 -9.171 -11.368 -2.714 183 HG12 ILE 26 HG12 ILE 26 -10.130 -9.020 -4.195 184 HG13 ILE 26 HG11 ILE 26 -11.170 -10.404 -3.881 185 HG21 ILE 26 HG21 ILE 26 -8.149 -9.159 -2.127 186 HG22 ILE 26 HG22 ILE 26 -7.716 -9.004 -3.850 187 HG23 ILE 26 HG23 ILE 26 -7.029 -10.291 -2.893 188 HD11 ILE 26 HD11 ILE 26 -10.883 -9.934 -1.426 189 HD12 ILE 26 HD12 ILE 26 -11.702 -8.644 -2.304 190 HD13 ILE 26 HD13 ILE 26 -10.000 -8.474 -1.869 191 H LEU 27 HN LEU 27 -7.197 -9.570 -5.781 192 HA LEU 27 HA LEU 27 -8.857 -7.848 -7.204 193 HB2 LEU 27 HB2 LEU 27 -6.890 -6.857 -6.792 194 HB3 LEU 27 HB1 LEU 27 -6.017 -8.353 -6.808 195 HG LEU 27 HG LEU 27 -5.841 -8.199 -9.296 196 HD11 LEU 27 HD11 LEU 27 -7.036 -5.473 -8.970 197 HD12 LEU 27 HD12 LEU 27 -7.770 -6.898 -9.757 198 HD13 LEU 27 HD13 LEU 27 -6.284 -6.191 -10.412 199 HD21 LEU 27 HD21 LEU 27 -4.208 -6.401 -9.343 200 HD22 LEU 27 HD22 LEU 27 -4.040 -7.404 -7.903 201 HD23 LEU 27 HD23 LEU 27 -4.802 -5.818 -7.788 202 H SER 28 HN SER 28 -7.100 -10.657 -8.135 203 HA SER 28 HA SER 28 -8.062 -10.388 -10.870 204 HB2 SER 28 HB2 SER 28 -5.702 -11.133 -10.487 205 HB3 SER 28 HB1 SER 28 -6.312 -12.616 -9.771 206 HG SER 28 HG SER 28 -7.018 -11.819 -12.387 207 H SER 29 HN SER 29 -9.303 -11.544 -8.098 208 HA SER 29 HA SER 29 -11.001 -12.821 -7.431 209 HB2 SER 29 HB2 SER 29 -11.724 -12.854 -10.350 210 HB3 SER 29 HB1 SER 29 -12.830 -13.183 -9.014 211 HG SER 29 HG SER 29 -12.823 -11.095 -8.442 212 H THR 30 HN THR 30 -8.506 -14.164 -8.502 213 HA THR 30 HA THR 30 -9.471 -16.650 -9.543 214 HB THR 30 HB THR 30 -7.377 -15.698 -10.404 215 HG1 THR 30 HG1 THR 30 -6.316 -17.555 -10.511 216 HG21 THR 30 HG21 THR 30 -6.574 -14.605 -8.371 217 HG22 THR 30 HG22 THR 30 -5.334 -15.673 -9.033 218 HG23 THR 30 HG23 THR 30 -6.278 -16.177 -7.630 219 H ASN 31 HN ASN 31 -9.185 -15.375 -6.431 220 HA ASN 31 HA ASN 31 -9.008 -18.092 -5.327 221 HB2 ASN 31 HB2 ASN 31 -7.704 -15.608 -4.195 222 HB3 ASN 31 HB1 ASN 31 -7.880 -17.101 -3.294 223 HD21 ASN 31 HD21 ASN 31 -7.272 -18.811 -5.626 224 HD22 ASN 31 HD22 ASN 31 -5.587 -18.620 -5.903 225 H VAL 32 HN VAL 32 -11.165 -16.050 -5.971 226 HA VAL 32 HA VAL 32 -12.236 -15.701 -3.259 227 HB VAL 32 HB VAL 32 -13.578 -13.968 -4.104 228 HG11 VAL 32 HG11 VAL 32 -11.456 -13.273 -3.317 229 HG12 VAL 32 HG12 VAL 32 -11.806 -12.314 -4.763 230 HG13 VAL 32 HG13 VAL 32 -10.701 -13.692 -4.851 231 HG21 VAL 32 HG21 VAL 32 -13.340 -13.057 -6.391 232 HG22 VAL 32 HG22 VAL 32 -14.037 -14.677 -6.345 233 HG23 VAL 32 HG23 VAL 32 -12.347 -14.457 -6.796 234 H GLY 33 HN GLY 33 -12.421 -17.850 -5.442 235 HA2 GLY 33 HA2 GLY 33 -14.003 -19.544 -5.733 236 HA3 GLY 33 HA1 GLY 33 -15.200 -18.527 -4.925 237 H SER 34 HN SER 34 -13.179 -17.586 -7.585 238 HA SER 34 HA SER 34 -15.531 -17.597 -9.325 239 HB2 SER 34 HB2 SER 34 -13.488 -15.389 -9.064 240 HB3 SER 34 HB1 SER 34 -14.773 -15.448 -10.274 241 HG SER 34 HG SER 34 -16.033 -15.864 -8.141 242 H ASN 35 HN ASN 35 -12.740 -18.951 -8.807 243 HA ASN 35 HA ASN 35 -12.361 -19.545 -11.602 244 HB2 ASN 35 HB2 ASN 35 -10.622 -17.893 -11.207 245 HB3 ASN 35 HB1 ASN 35 -10.052 -18.760 -9.777 246 HD21 ASN 35 HD21 ASN 35 -7.978 -18.989 -10.634 247 HD22 ASN 35 HD22 ASN 35 -7.633 -20.069 -11.930 248 H THR 36 HN THR 36 -13.671 -21.197 -10.701 249 HA THR 36 HA THR 36 -11.975 -23.403 -9.903 250 HB THR 36 HB THR 36 -14.656 -22.845 -8.587 251 HG1 THR 36 HG1 THR 36 -12.065 -22.043 -8.011 252 HG21 THR 36 HG21 THR 36 -13.942 -25.215 -8.683 253 HG22 THR 36 HG22 THR 36 -13.966 -24.590 -7.034 254 HG23 THR 36 HG23 THR 36 -12.429 -24.770 -7.886 255 H TYC 37 HN ATY 37 -12.283 -23.599 -12.208 256 HA TYC 37 HA ATY 37 -14.976 -24.334 -13.051 257 HB1 TYC 37 HB1 ATY 37 -14.209 -24.084 -15.298 258 HB2 TYC 37 HB2 ATY 37 -12.519 -24.134 -14.802 259 HD1 TYC 37 HD1 ATY 37 -15.441 -22.100 -13.611 260 HD2 TYC 37 HD2 ATY 37 -11.528 -22.106 -15.270 261 HE1 TYC 37 HE1 ATY 37 -15.366 -19.651 -13.448 262 HE2 TYC 37 HE2 ATY 37 -11.451 -19.660 -15.103 263 HH TYC 37 HH ATY 37 -13.618 -17.927 -13.239 264 HT21 TYC 37 HT21 ATY 37 -15.099 -26.277 -12.002 265 HT22 TYC 37 HT22 ATY 37 -14.230 -27.683 -12.508 Start of MODEL 4 1 H1 LYS 1 HT1 LYS 1 9.322 5.666 9.320 2 H2 LYS 1 HT2 LYS 1 10.126 4.256 8.866 3 H3 LYS 1 HT3 LYS 1 8.465 4.218 9.117 4 HA LYS 1 HA LYS 1 9.031 4.192 6.793 5 HB2 LYS 1 HB2 LYS 1 7.761 6.743 7.782 6 HB3 LYS 1 HB1 LYS 1 7.766 6.267 6.097 7 HG2 LYS 1 HG2 LYS 1 6.553 4.219 6.701 8 HG3 LYS 1 HG1 LYS 1 6.495 4.767 8.374 9 HD2 LYS 1 HD2 LYS 1 5.263 6.763 7.650 10 HD3 LYS 1 HD1 LYS 1 5.309 6.173 5.989 11 HE2 LYS 1 HE2 LYS 1 4.060 4.186 6.649 12 HE3 LYS 1 HE1 LYS 1 4.041 4.753 8.317 13 HZ1 LYS 1 HZ1 LYS 1 1.977 5.235 7.200 14 HZ2 LYS 1 HZ2 LYS 1 2.768 6.110 6.007 15 HZ3 LYS 1 HZ3 LYS 1 2.751 6.676 7.597 16 H CYS 2 HN CYS 2 9.639 5.700 4.958 17 HA CYS 2 HA CYS 2 11.652 7.652 5.566 18 HB2 CYS 2 HB2 CYS 2 13.255 6.499 3.954 19 HB3 CYS 2 HB1 CYS 2 13.106 5.786 5.554 20 H ASN 3 HN ASN 3 12.476 8.554 3.347 21 HA ASN 3 HA ASN 3 10.050 8.809 1.699 22 HB2 ASN 3 HB2 ASN 3 10.016 10.514 3.530 23 HB3 ASN 3 HB1 ASN 3 11.521 11.167 2.915 24 HD21 ASN 3 HD21 ASN 3 11.449 12.533 1.128 25 HD22 ASN 3 HD22 ASN 3 9.982 13.090 0.419 26 H THR 4 HN THR 4 13.141 8.025 1.528 27 HA THR 4 HA THR 4 13.656 9.712 -0.794 28 HB THR 4 HB THR 4 15.508 9.630 0.827 29 HG1 THR 4 HG1 THR 4 16.683 9.812 -0.821 30 HG21 THR 4 HG21 THR 4 15.077 7.410 1.778 31 HG22 THR 4 HG22 THR 4 16.754 7.558 1.242 32 HG23 THR 4 HG23 THR 4 15.580 6.674 0.256 33 H ALA 5 HN ALA 5 14.394 8.746 -2.699 34 HA ALA 5 HA ALA 5 12.736 6.703 -3.667 35 HB1 ALA 5 HB1 ALA 5 13.584 8.520 -5.059 36 HB2 ALA 5 HB2 ALA 5 13.958 6.935 -5.746 37 HB3 ALA 5 HB3 ALA 5 15.208 7.851 -4.902 38 H THR 6 HN THR 6 15.736 6.577 -2.122 39 HA THR 6 HA THR 6 16.463 4.009 -3.200 40 HB THR 6 HB THR 6 17.581 5.611 -0.894 41 HG1 THR 6 HG1 THR 6 18.379 5.357 -3.608 42 HG21 THR 6 HG21 THR 6 18.144 3.279 -0.731 43 HG22 THR 6 HG22 THR 6 19.590 4.202 -1.163 44 HG23 THR 6 HG23 THR 6 18.737 3.244 -2.393 45 H CYS 7 HN CYS 7 14.279 5.086 -0.854 46 HA CYS 7 HA CYS 7 14.624 2.644 0.789 47 HB2 CYS 7 HB2 CYS 7 15.358 4.897 1.668 48 HB3 CYS 7 HB1 CYS 7 13.718 5.277 1.671 49 H ALA 8 HN ALA 8 12.361 5.296 -0.028 50 HA ALA 8 HA ALA 8 10.123 4.040 1.115 51 HB1 ALA 8 HB1 ALA 8 10.236 6.413 0.759 52 HB2 ALA 8 HB2 ALA 8 8.849 5.732 -0.101 53 HB3 ALA 8 HB3 ALA 8 10.322 6.176 -0.986 54 H THR 9 HN THR 9 11.758 3.767 -1.798 55 HA THR 9 HA THR 9 9.675 2.586 -3.377 56 HB THR 9 HB THR 9 11.617 1.678 -4.701 57 HG1 THR 9 HG1 THR 9 13.532 3.196 -3.934 58 HG21 THR 9 HG21 THR 9 11.463 4.655 -4.174 59 HG22 THR 9 HG22 THR 9 10.455 3.756 -5.311 60 HG23 THR 9 HG23 THR 9 12.189 3.921 -5.601 61 H GLN 10 HN GLN 10 11.960 1.504 -1.153 62 HA GLN 10 HA GLN 10 11.692 -1.325 -1.589 63 HB2 GLN 10 HB2 GLN 10 12.697 -0.003 0.930 64 HB3 GLN 10 HB1 GLN 10 13.059 -1.630 0.363 65 HG2 GLN 10 HG2 GLN 10 14.032 0.988 -0.730 66 HG3 GLN 10 HG1 GLN 10 14.974 -0.254 0.078 67 HE21 GLN 10 HE21 GLN 10 15.245 1.007 -2.464 68 HE22 GLN 10 HE22 GLN 10 15.319 -0.243 -3.659 69 H ARG 11 HN ARG 11 10.447 1.125 0.521 70 HA ARG 11 HA ARG 11 8.856 -0.556 2.162 71 HB2 ARG 11 HB2 ARG 11 8.208 2.305 1.403 72 HB3 ARG 11 HB1 ARG 11 7.613 1.431 2.802 73 HG2 ARG 11 HG2 ARG 11 10.437 2.342 2.301 74 HG3 ARG 11 HG1 ARG 11 9.322 2.986 3.502 75 HD2 ARG 11 HD2 ARG 11 10.536 0.264 3.373 76 HD3 ARG 11 HD1 ARG 11 10.909 1.546 4.534 77 HE ARG 11 HE ARG 11 8.440 1.263 5.164 78 HH11 ARG 11 HH11 ARG 11 10.566 -1.436 4.256 79 HH12 ARG 11 HH12 ARG 11 9.662 -2.610 5.081 80 HH21 ARG 11 HH21 ARG 11 7.220 -0.337 6.278 81 HH22 ARG 11 HH22 ARG 11 7.685 -1.981 6.265 82 H LEU 12 HN LEU 12 8.291 1.091 -0.872 83 HA LEU 12 HA LEU 12 5.649 0.354 -1.356 84 HB2 LEU 12 HB2 LEU 12 8.053 0.847 -2.938 85 HB3 LEU 12 HB1 LEU 12 6.672 0.492 -3.835 86 HG LEU 12 HG LEU 12 7.207 2.895 -2.075 87 HD11 LEU 12 HD11 LEU 12 6.408 2.699 -4.966 88 HD12 LEU 12 HD12 LEU 12 8.063 2.864 -4.408 89 HD13 LEU 12 HD13 LEU 12 6.902 4.152 -4.096 90 HD21 LEU 12 HD21 LEU 12 4.944 3.697 -2.633 91 HD22 LEU 12 HD22 LEU 12 4.913 2.261 -1.617 92 HD23 LEU 12 HD23 LEU 12 4.577 2.126 -3.346 93 H ALA 13 HN ALA 13 8.724 -1.232 -1.980 94 HA ALA 13 HA ALA 13 7.697 -3.435 -3.344 95 HB1 ALA 13 HB1 ALA 13 10.050 -2.781 -3.483 96 HB2 ALA 13 HB2 ALA 13 9.916 -4.459 -2.955 97 HB3 ALA 13 HB3 ALA 13 10.273 -3.192 -1.787 98 H ASN 14 HN ASN 14 8.199 -2.737 0.022 99 HA ASN 14 HA ASN 14 7.616 -5.413 0.958 100 HB2 ASN 14 HB2 ASN 14 7.902 -2.825 2.480 101 HB3 ASN 14 HB1 ASN 14 7.512 -4.383 3.199 102 HD21 ASN 14 HD21 ASN 14 9.780 -4.063 0.607 103 HD22 ASN 14 HD22 ASN 14 11.197 -4.400 1.527 104 H PHE 15 HN PHE 15 5.654 -3.011 -0.270 105 HA PHE 15 HA PHE 15 3.644 -3.220 1.754 106 HB2 PHE 15 HB2 PHE 15 3.502 -1.053 1.122 107 HB3 PHE 15 HB1 PHE 15 4.464 -1.353 -0.315 108 HD1 PHE 15 HD1 PHE 15 3.449 -1.618 -2.423 109 HD2 PHE 15 HD2 PHE 15 1.040 -1.283 1.058 110 HE1 PHE 15 HE1 PHE 15 1.467 -1.311 -3.836 111 HE2 PHE 15 HE2 PHE 15 -0.956 -0.971 -0.343 112 HZ PHE 15 HZ PHE 15 -0.744 -0.984 -2.802 113 H LEU 16 HN LEU 16 4.677 -4.534 -1.200 114 HA LEU 16 HA LEU 16 2.160 -5.884 -1.392 115 HB2 LEU 16 HB2 LEU 16 1.880 -5.232 -3.405 116 HB3 LEU 16 HB1 LEU 16 2.861 -3.933 -2.933 117 HG LEU 16 HG LEU 16 4.015 -6.253 -4.500 118 HD11 LEU 16 HD11 LEU 16 3.125 -3.541 -5.465 119 HD12 LEU 16 HD12 LEU 16 2.360 -5.084 -5.848 120 HD13 LEU 16 HD13 LEU 16 3.990 -4.742 -6.421 121 HD21 LEU 16 HD21 LEU 16 5.064 -3.496 -3.891 122 HD22 LEU 16 HD22 LEU 16 5.849 -4.708 -4.905 123 HD23 LEU 16 HD23 LEU 16 5.643 -5.004 -3.174 124 H VAL 17 HN VAL 17 4.891 -6.519 -0.277 125 HA VAL 17 HA VAL 17 6.185 -8.214 -2.177 126 HB VAL 17 HB VAL 17 7.432 -6.846 -0.573 127 HG11 VAL 17 HG11 VAL 17 6.569 -8.782 1.549 128 HG12 VAL 17 HG12 VAL 17 6.174 -7.082 1.433 129 HG13 VAL 17 HG13 VAL 17 7.848 -7.577 1.723 130 HG21 VAL 17 HG21 VAL 17 8.605 -8.532 -1.695 131 HG22 VAL 17 HG22 VAL 17 8.025 -9.771 -0.594 132 HG23 VAL 17 HG23 VAL 17 9.144 -8.515 -0.014 133 H HIS 18 HN HIS 18 4.827 -9.028 0.959 134 HA HIS 18 HA HIS 18 4.126 -11.667 -0.160 135 HB2 HIS 18 HB2 HIS 18 5.118 -11.117 2.669 136 HB3 HIS 18 HB1 HIS 18 4.381 -12.628 2.149 137 HD1 HIS 18 HD1 HIS 18 6.067 -14.386 1.637 138 HD2 HIS 18 HD2 HIS 18 7.400 -10.555 0.961 139 HE1 HIS 18 HE1 HIS 18 8.439 -14.673 0.866 140 HE2 HIS 18 HE2 HIS 18 9.185 -12.335 0.262 141 H SER 19 HN SER 19 3.041 -8.984 0.261 142 HA SER 19 HA SER 19 0.989 -9.091 2.145 143 HB2 SER 19 HB2 SER 19 1.215 -7.398 -0.319 144 HB3 SER 19 HB1 SER 19 0.319 -7.035 1.163 145 HG SER 19 HG SER 19 2.139 -5.975 1.396 146 H SER 20 HN SER 20 1.538 -10.699 -0.710 147 HA SER 20 HA SER 20 -0.624 -10.745 -2.340 148 HB2 SER 20 HB2 SER 20 0.968 -13.150 -1.561 149 HB3 SER 20 HB1 SER 20 0.473 -12.599 -3.170 150 HG SER 20 HG SER 20 2.452 -11.823 -3.192 151 H ASN 21 HN ASN 21 -0.131 -12.020 0.775 152 HA ASN 21 HA ASN 21 -2.150 -13.980 0.839 153 HB2 ASN 21 HB2 ASN 21 -0.503 -12.608 2.866 154 HB3 ASN 21 HB1 ASN 21 -1.819 -13.669 3.432 155 HD21 ASN 21 HD21 ASN 21 1.370 -13.380 2.171 156 HD22 ASN 21 HD22 ASN 21 1.724 -15.060 2.097 157 H ASN 22 HN ASN 22 -2.094 -10.555 1.423 158 HA ASN 22 HA ASN 22 -4.889 -10.753 2.224 159 HB2 ASN 22 HB2 ASN 22 -2.627 -9.186 3.092 160 HB3 ASN 22 HB1 ASN 22 -4.174 -8.322 3.223 161 HD21 ASN 22 HD21 ASN 22 -2.269 -11.051 4.177 162 HD22 ASN 22 HD22 ASN 22 -3.203 -11.646 5.479 163 H PHE 23 HN PHE 23 -3.084 -10.407 -0.113 164 HA PHE 23 HA PHE 23 -4.585 -8.451 -1.633 165 HB2 PHE 23 HB2 PHE 23 -2.067 -9.645 -1.500 166 HB3 PHE 23 HB1 PHE 23 -2.513 -9.857 -3.134 167 HD1 PHE 23 HD1 PHE 23 -1.967 -7.591 -0.337 168 HD2 PHE 23 HD2 PHE 23 -2.416 -7.789 -4.549 169 HE1 PHE 23 HE1 PHE 23 -1.169 -5.313 -0.492 170 HE2 PHE 23 HE2 PHE 23 -1.613 -5.463 -4.748 171 HZ PHE 23 HZ PHE 23 -0.982 -4.206 -2.719 172 H GLY 24 HN GLY 24 -4.651 -11.577 -0.631 173 HA2 GLY 24 HA2 GLY 24 -6.893 -12.467 -1.283 174 HA3 GLY 24 HA1 GLY 24 -6.310 -12.581 -2.901 175 H ALA 25 HN ALA 25 -5.390 -13.432 0.353 176 HA ALA 25 HA ALA 25 -5.197 -16.216 -0.548 177 HB1 ALA 25 HB1 ALA 25 -3.853 -14.749 1.716 178 HB2 ALA 25 HB2 ALA 25 -3.086 -15.539 0.325 179 HB3 ALA 25 HB3 ALA 25 -3.853 -16.514 1.588 180 H ILE 26 HN ILE 26 -6.016 -14.023 1.976 181 HA ILE 26 HA ILE 26 -7.969 -15.824 2.982 182 HB ILE 26 HB ILE 26 -6.600 -14.817 4.630 183 HG12 ILE 26 HG12 ILE 26 -9.110 -13.315 4.502 184 HG13 ILE 26 HG11 ILE 26 -9.058 -14.975 5.103 185 HG21 ILE 26 HG21 ILE 26 -5.713 -12.939 3.437 186 HG22 ILE 26 HG22 ILE 26 -6.491 -12.303 4.897 187 HG23 ILE 26 HG23 ILE 26 -7.305 -12.213 3.326 188 HD11 ILE 26 HD11 ILE 26 -7.545 -14.169 6.940 189 HD12 ILE 26 HD12 ILE 26 -9.159 -13.462 7.002 190 HD13 ILE 26 HD13 ILE 26 -7.809 -12.521 6.368 191 H LEU 27 HN LEU 27 -7.744 -12.654 1.319 192 HA LEU 27 HA LEU 27 -10.372 -11.826 1.787 193 HB2 LEU 27 HB2 LEU 27 -9.675 -9.948 0.738 194 HB3 LEU 27 HB1 LEU 27 -8.147 -10.775 0.741 195 HG LEU 27 HG LEU 27 -8.519 -11.460 -1.643 196 HD11 LEU 27 HD11 LEU 27 -10.144 -10.247 -2.982 197 HD12 LEU 27 HD12 LEU 27 -10.862 -9.569 -1.510 198 HD13 LEU 27 HD13 LEU 27 -10.897 -11.316 -1.804 199 HD21 LEU 27 HD21 LEU 27 -8.002 -9.255 -2.552 200 HD22 LEU 27 HD22 LEU 27 -7.122 -9.577 -1.060 201 HD23 LEU 27 HD23 LEU 27 -8.532 -8.514 -1.041 202 H SER 28 HN SER 28 -8.882 -13.607 -0.746 203 HA SER 28 HA SER 28 -10.809 -13.600 -2.543 204 HB2 SER 28 HB2 SER 28 -9.023 -15.906 -1.899 205 HB3 SER 28 HB1 SER 28 -9.812 -15.656 -3.467 206 HG SER 28 HG SER 28 -8.420 -14.130 -3.917 207 H SER 29 HN SER 29 -10.621 -15.649 0.331 208 HA SER 29 HA SER 29 -12.117 -16.737 1.575 209 HB2 SER 29 HB2 SER 29 -14.139 -15.655 -0.305 210 HB3 SER 29 HB1 SER 29 -14.498 -16.318 1.290 211 HG SER 29 HG SER 29 -13.032 -13.950 0.667 212 H THR 30 HN THR 30 -11.713 -17.524 -1.616 213 HA THR 30 HA THR 30 -13.563 -19.501 -2.091 214 HB THR 30 HB THR 30 -12.304 -18.640 -3.933 215 HG1 THR 30 HG1 THR 30 -12.084 -20.455 -4.974 216 HG21 THR 30 HG21 THR 30 -9.829 -19.769 -2.633 217 HG22 THR 30 HG22 THR 30 -10.236 -18.062 -2.774 218 HG23 THR 30 HG23 THR 30 -9.882 -19.009 -4.226 219 H ASN 31 HN ASN 31 -10.553 -19.638 -0.439 220 HA ASN 31 HA ASN 31 -10.867 -22.516 0.020 221 HB2 ASN 31 HB2 ASN 31 -8.672 -22.035 -0.805 222 HB3 ASN 31 HB1 ASN 31 -8.459 -20.714 0.330 223 HD21 ASN 31 HD21 ASN 31 -7.709 -21.145 2.319 224 HD22 ASN 31 HD22 ASN 31 -7.217 -22.715 2.862 225 H VAL 32 HN VAL 32 -11.199 -19.577 1.518 226 HA VAL 32 HA VAL 32 -10.898 -20.305 4.258 227 HB VAL 32 HB VAL 32 -12.780 -18.180 3.182 228 HG11 VAL 32 HG11 VAL 32 -11.403 -18.425 5.846 229 HG12 VAL 32 HG12 VAL 32 -13.119 -18.663 5.525 230 HG13 VAL 32 HG13 VAL 32 -12.401 -17.064 5.329 231 HG21 VAL 32 HG21 VAL 32 -9.864 -17.926 3.861 232 HG22 VAL 32 HG22 VAL 32 -10.961 -16.599 3.420 233 HG23 VAL 32 HG23 VAL 32 -10.612 -17.891 2.262 234 H GLY 33 HN GLY 33 -13.505 -20.444 1.982 235 HA2 GLY 33 HA2 GLY 33 -14.766 -22.660 2.769 236 HA3 GLY 33 HA1 GLY 33 -15.332 -21.519 3.978 237 H SER 34 HN SER 34 -14.943 -19.685 1.230 238 HA SER 34 HA SER 34 -17.782 -19.761 0.879 239 HB2 SER 34 HB2 SER 34 -15.714 -18.020 -0.459 240 HB3 SER 34 HB1 SER 34 -17.462 -17.768 -0.495 241 HG SER 34 HG SER 34 -16.952 -18.007 2.002 242 H ASN 35 HN ASN 35 -15.104 -21.198 -0.743 243 HA ASN 35 HA ASN 35 -16.897 -21.993 -2.941 244 HB2 ASN 35 HB2 ASN 35 -14.058 -21.025 -3.220 245 HB3 ASN 35 HB1 ASN 35 -14.965 -21.807 -4.505 246 HD21 ASN 35 HD21 ASN 35 -16.468 -20.639 -5.615 247 HD22 ASN 35 HD22 ASN 35 -16.723 -18.946 -5.405 248 H THR 36 HN THR 36 -15.878 -23.259 -0.466 249 HA THR 36 HA THR 36 -14.012 -25.224 -1.418 250 HB THR 36 HB THR 36 -14.374 -26.185 0.907 251 HG1 THR 36 HG1 THR 36 -16.459 -24.929 1.003 252 HG21 THR 36 HG21 THR 36 -13.452 -23.312 0.672 253 HG22 THR 36 HG22 THR 36 -12.460 -24.741 0.377 254 HG23 THR 36 HG23 THR 36 -13.064 -24.403 2.000 255 H TYC 37 HN ATY 37 -15.079 -26.339 -2.959 256 HA TYC 37 HA ATY 37 -17.492 -27.749 -2.107 257 HB1 TYC 37 HB1 ATY 37 -18.050 -27.949 -4.528 258 HB2 TYC 37 HB2 ATY 37 -16.609 -27.015 -4.911 259 HD1 TYC 37 HD1 ATY 37 -16.923 -24.766 -5.355 260 HD2 TYC 37 HD2 ATY 37 -19.583 -26.726 -2.690 261 HE1 TYC 37 HE1 ATY 37 -18.199 -22.676 -5.086 262 HE2 TYC 37 HE2 ATY 37 -20.866 -24.664 -2.425 263 HH TYC 37 HH ATY 37 -20.545 -22.043 -4.447 264 HT21 TYC 37 HT21 ATY 37 -15.481 -28.518 -4.852 265 HT22 TYC 37 HT22 ATY 37 -14.957 -30.055 -4.265 Start of MODEL 5 1 H1 LYS 1 HT1 LYS 1 11.277 5.179 9.755 2 H2 LYS 1 HT2 LYS 1 11.515 3.895 8.727 3 H3 LYS 1 HT3 LYS 1 10.144 3.929 9.701 4 HA LYS 1 HA LYS 1 9.667 4.489 7.393 5 HB2 LYS 1 HB2 LYS 1 9.409 6.855 9.276 6 HB3 LYS 1 HB1 LYS 1 8.546 6.675 7.758 7 HG2 LYS 1 HG2 LYS 1 7.480 4.627 8.660 8 HG3 LYS 1 HG1 LYS 1 8.269 4.942 10.200 9 HD2 LYS 1 HD2 LYS 1 5.999 5.741 10.282 10 HD3 LYS 1 HD1 LYS 1 7.090 7.128 10.306 11 HE2 LYS 1 HE2 LYS 1 6.648 7.563 7.966 12 HE3 LYS 1 HE1 LYS 1 5.705 6.083 7.828 13 HZ1 LYS 1 HZ1 LYS 1 5.004 8.474 9.446 14 HZ2 LYS 1 HZ2 LYS 1 4.099 7.063 9.403 15 HZ3 LYS 1 HZ3 LYS 1 4.254 7.994 8.023 16 H CYS 2 HN CYS 2 10.135 5.634 5.552 17 HA CYS 2 HA CYS 2 12.197 7.620 5.651 18 HB2 CYS 2 HB2 CYS 2 13.507 6.331 3.877 19 HB3 CYS 2 HB1 CYS 2 13.633 5.735 5.533 20 H ASN 3 HN ASN 3 12.559 8.550 3.404 21 HA ASN 3 HA ASN 3 10.129 8.373 1.771 22 HB2 ASN 3 HB2 ASN 3 11.013 10.823 3.258 23 HB3 ASN 3 HB1 ASN 3 10.165 10.981 1.729 24 HD21 ASN 3 HD21 ASN 3 8.514 8.616 2.240 25 HD22 ASN 3 HD22 ASN 3 7.341 9.123 3.396 26 H THR 4 HN THR 4 13.136 7.915 1.492 27 HA THR 4 HA THR 4 13.545 9.740 -0.747 28 HB THR 4 HB THR 4 15.435 9.556 0.834 29 HG1 THR 4 HG1 THR 4 16.959 9.365 -0.673 30 HG21 THR 4 HG21 THR 4 16.666 7.491 1.121 31 HG22 THR 4 HG22 THR 4 15.571 6.678 -0.004 32 HG23 THR 4 HG23 THR 4 14.962 7.238 1.544 33 H ALA 5 HN ALA 5 14.372 8.835 -2.711 34 HA ALA 5 HA ALA 5 12.646 6.864 -3.751 35 HB1 ALA 5 HB1 ALA 5 13.515 8.743 -5.085 36 HB2 ALA 5 HB2 ALA 5 13.798 7.184 -5.853 37 HB3 ALA 5 HB3 ALA 5 15.121 8.013 -5.030 38 H THR 6 HN THR 6 15.661 6.671 -2.263 39 HA THR 6 HA THR 6 16.296 4.060 -3.330 40 HB THR 6 HB THR 6 17.569 5.804 -1.219 41 HG1 THR 6 HG1 THR 6 17.764 5.521 -3.947 42 HG21 THR 6 HG21 THR 6 19.539 4.311 -1.384 43 HG22 THR 6 HG22 THR 6 18.611 3.230 -2.444 44 HG23 THR 6 HG23 THR 6 18.103 3.487 -0.769 45 H CYS 7 HN CYS 7 14.193 5.172 -0.925 46 HA CYS 7 HA CYS 7 14.560 2.692 0.659 47 HB2 CYS 7 HB2 CYS 7 15.380 4.917 1.601 48 HB3 CYS 7 HB1 CYS 7 13.730 5.266 1.777 49 H ALA 8 HN ALA 8 12.324 5.355 -0.107 50 HA ALA 8 HA ALA 8 10.111 4.134 1.106 51 HB1 ALA 8 HB1 ALA 8 8.819 5.818 -0.096 52 HB2 ALA 8 HB2 ALA 8 10.257 6.224 -1.061 53 HB3 ALA 8 HB3 ALA 8 10.243 6.510 0.680 54 H THR 9 HN THR 9 11.756 3.719 -1.789 55 HA THR 9 HA THR 9 9.727 2.491 -3.383 56 HB THR 9 HB THR 9 11.803 1.554 -4.548 57 HG1 THR 9 HG1 THR 9 13.667 2.917 -3.921 58 HG21 THR 9 HG21 THR 9 11.411 4.538 -4.249 59 HG22 THR 9 HG22 THR 9 10.513 3.490 -5.350 60 HG23 THR 9 HG23 THR 9 12.245 3.746 -5.585 61 H GLN 10 HN GLN 10 11.927 1.510 -1.030 62 HA GLN 10 HA GLN 10 11.696 -1.329 -1.417 63 HB2 GLN 10 HB2 GLN 10 12.716 0.122 1.029 64 HB3 GLN 10 HB1 GLN 10 13.048 -1.554 0.580 65 HG2 GLN 10 HG2 GLN 10 14.011 0.946 -0.787 66 HG3 GLN 10 HG1 GLN 10 14.967 -0.217 0.128 67 HE21 GLN 10 HE21 GLN 10 15.055 0.759 -2.618 68 HE22 GLN 10 HE22 GLN 10 15.091 -0.653 -3.620 69 H ARG 11 HN ARG 11 10.373 1.161 0.537 70 HA ARG 11 HA ARG 11 8.684 -0.466 2.136 71 HB2 ARG 11 HB2 ARG 11 8.131 2.369 1.226 72 HB3 ARG 11 HB1 ARG 11 7.371 1.552 2.580 73 HG2 ARG 11 HG2 ARG 11 10.222 2.450 2.344 74 HG3 ARG 11 HG1 ARG 11 8.998 3.075 3.445 75 HD2 ARG 11 HD2 ARG 11 10.301 0.405 3.396 76 HD3 ARG 11 HD1 ARG 11 10.466 1.648 4.639 77 HE ARG 11 HE ARG 11 7.878 1.167 4.854 78 HH11 ARG 11 HH11 ARG 11 10.490 -1.170 4.474 79 HH12 ARG 11 HH12 ARG 11 9.659 -2.479 5.159 80 HH21 ARG 11 HH21 ARG 11 6.695 -0.643 5.858 81 HH22 ARG 11 HH22 ARG 11 7.466 -2.157 6.014 82 H LEU 12 HN LEU 12 8.334 1.036 -1.013 83 HA LEU 12 HA LEU 12 5.737 0.257 -1.621 84 HB2 LEU 12 HB2 LEU 12 8.220 0.721 -3.123 85 HB3 LEU 12 HB1 LEU 12 6.857 0.286 -4.027 86 HG LEU 12 HG LEU 12 7.274 2.806 -2.402 87 HD11 LEU 12 HD11 LEU 12 6.915 3.932 -4.531 88 HD12 LEU 12 HD12 LEU 12 6.653 2.381 -5.318 89 HD13 LEU 12 HD13 LEU 12 8.236 2.772 -4.663 90 HD21 LEU 12 HD21 LEU 12 4.974 2.105 -2.000 91 HD22 LEU 12 HD22 LEU 12 4.716 1.894 -3.729 92 HD23 LEU 12 HD23 LEU 12 5.003 3.504 -3.073 93 H ALA 13 HN ALA 13 8.846 -1.345 -1.939 94 HA ALA 13 HA ALA 13 7.900 -3.616 -3.218 95 HB1 ALA 13 HB1 ALA 13 10.324 -3.353 -1.434 96 HB2 ALA 13 HB2 ALA 13 10.275 -3.056 -3.170 97 HB3 ALA 13 HB3 ALA 13 10.025 -4.686 -2.550 98 H ASN 14 HN ASN 14 8.063 -2.668 0.119 99 HA ASN 14 HA ASN 14 7.328 -5.258 1.165 100 HB2 ASN 14 HB2 ASN 14 7.613 -2.588 2.542 101 HB3 ASN 14 HB1 ASN 14 7.033 -4.037 3.354 102 HD21 ASN 14 HD21 ASN 14 9.521 -4.081 0.949 103 HD22 ASN 14 HD22 ASN 14 10.833 -4.460 1.997 104 H PHE 15 HN PHE 15 5.602 -2.957 -0.424 105 HA PHE 15 HA PHE 15 3.275 -3.031 1.256 106 HB2 PHE 15 HB2 PHE 15 3.284 -0.891 0.468 107 HB3 PHE 15 HB1 PHE 15 4.456 -1.297 -0.772 108 HD1 PHE 15 HD1 PHE 15 0.899 -0.907 0.006 109 HD2 PHE 15 HD2 PHE 15 3.737 -1.907 -2.994 110 HE1 PHE 15 HE1 PHE 15 -0.837 -0.688 -1.716 111 HE2 PHE 15 HE2 PHE 15 2.029 -1.700 -4.715 112 HZ PHE 15 HZ PHE 15 -0.286 -1.079 -4.085 113 H LEU 16 HN LEU 16 4.814 -4.623 -1.314 114 HA LEU 16 HA LEU 16 2.376 -6.000 -1.875 115 HB2 LEU 16 HB2 LEU 16 2.411 -5.458 -3.925 116 HB3 LEU 16 HB1 LEU 16 3.276 -4.101 -3.390 117 HG LEU 16 HG LEU 16 4.638 -6.464 -4.729 118 HD11 LEU 16 HD11 LEU 16 4.928 -4.946 -6.615 119 HD12 LEU 16 HD12 LEU 16 3.972 -3.722 -5.783 120 HD13 LEU 16 HD13 LEU 16 3.221 -5.235 -6.285 121 HD21 LEU 16 HD21 LEU 16 6.572 -4.991 -4.852 122 HD22 LEU 16 HD22 LEU 16 6.077 -5.230 -3.169 123 HD23 LEU 16 HD23 LEU 16 5.668 -3.732 -4.009 124 H VAL 17 HN VAL 17 4.655 -6.633 -0.156 125 HA VAL 17 HA VAL 17 6.282 -8.492 -1.676 126 HB VAL 17 HB VAL 17 7.461 -6.944 -0.161 127 HG11 VAL 17 HG11 VAL 17 7.406 -7.189 2.249 128 HG12 VAL 17 HG12 VAL 17 6.186 -8.444 2.088 129 HG13 VAL 17 HG13 VAL 17 5.796 -6.788 1.627 130 HG21 VAL 17 HG21 VAL 17 8.927 -8.523 0.918 131 HG22 VAL 17 HG22 VAL 17 8.494 -9.059 -0.718 132 HG23 VAL 17 HG23 VAL 17 7.722 -9.793 0.697 133 H HIS 18 HN HIS 18 4.127 -8.552 1.068 134 HA HIS 18 HA HIS 18 3.659 -11.360 0.597 135 HB2 HIS 18 HB2 HIS 18 3.826 -11.890 2.837 136 HB3 HIS 18 HB1 HIS 18 5.372 -11.167 2.404 137 HD1 HIS 18 HD1 HIS 18 3.728 -11.454 5.320 138 HD2 HIS 18 HD2 HIS 18 4.507 -8.061 3.099 139 HE1 HIS 18 HE1 HIS 18 3.657 -9.565 6.960 140 HE2 HIS 18 HE2 HIS 18 3.712 -7.544 5.497 141 H SER 19 HN SER 19 2.398 -8.662 0.254 142 HA SER 19 HA SER 19 0.566 -8.306 2.351 143 HB2 SER 19 HB2 SER 19 0.689 -7.008 -0.330 144 HB3 SER 19 HB1 SER 19 -0.065 -6.394 1.143 145 HG SER 19 HG SER 19 1.814 -5.458 1.248 146 H SER 20 HN SER 20 0.437 -9.672 -0.838 147 HA SER 20 HA SER 20 -2.386 -9.723 -1.029 148 HB2 SER 20 HB2 SER 20 -0.327 -11.408 -2.421 149 HB3 SER 20 HB1 SER 20 -2.017 -11.262 -2.916 150 HG SER 20 HG SER 20 -1.598 -9.459 -3.814 151 H ASN 21 HN ASN 21 -0.724 -11.204 1.197 152 HA ASN 21 HA ASN 21 -2.562 -13.469 1.442 153 HB2 ASN 21 HB2 ASN 21 0.338 -13.201 1.973 154 HB3 ASN 21 HB1 ASN 21 -0.610 -14.486 2.757 155 HD21 ASN 21 HD21 ASN 21 1.021 -13.423 -0.100 156 HD22 ASN 21 HD22 ASN 21 0.690 -14.816 -1.049 157 H ASN 22 HN ASN 22 -1.773 -10.460 2.633 158 HA ASN 22 HA ASN 22 -2.172 -11.160 5.437 159 HB2 ASN 22 HB2 ASN 22 0.134 -10.129 4.122 160 HB3 ASN 22 HB1 ASN 22 -0.519 -9.125 5.430 161 HD21 ASN 22 HD21 ASN 22 -1.017 -12.547 5.342 162 HD22 ASN 22 HD22 ASN 22 0.039 -12.970 6.599 163 H PHE 23 HN PHE 23 -2.152 -8.809 2.970 164 HA PHE 23 HA PHE 23 -2.604 -6.507 4.268 165 HB2 PHE 23 HB2 PHE 23 -3.391 -5.646 2.101 166 HB3 PHE 23 HB1 PHE 23 -1.952 -6.645 2.024 167 HD1 PHE 23 HD1 PHE 23 -4.165 -9.042 2.365 168 HD2 PHE 23 HD2 PHE 23 -3.125 -6.047 -0.381 169 HE1 PHE 23 HE1 PHE 23 -5.150 -10.422 0.528 170 HE2 PHE 23 HE2 PHE 23 -4.037 -7.342 -2.222 171 HZ PHE 23 HZ PHE 23 -5.079 -9.550 -1.794 172 H GLY 24 HN GLY 24 -3.836 -6.405 5.798 173 HA2 GLY 24 HA2 GLY 24 -5.618 -6.296 7.142 174 HA3 GLY 24 HA1 GLY 24 -6.656 -5.872 5.823 175 H ALA 25 HN ALA 25 -4.784 -8.775 6.095 176 HA ALA 25 HA ALA 25 -7.175 -10.366 6.425 177 HB1 ALA 25 HB1 ALA 25 -4.356 -11.120 5.661 178 HB2 ALA 25 HB2 ALA 25 -5.683 -10.877 4.534 179 HB3 ALA 25 HB3 ALA 25 -5.734 -12.231 5.683 180 H ILE 26 HN ILE 26 -4.020 -9.652 7.560 181 HA ILE 26 HA ILE 26 -4.596 -10.972 9.992 182 HB ILE 26 HB ILE 26 -2.395 -11.498 9.293 183 HG12 ILE 26 HG12 ILE 26 -2.093 -9.170 11.066 184 HG13 ILE 26 HG11 ILE 26 -2.536 -10.757 11.689 185 HG21 ILE 26 HG21 ILE 26 -2.004 -8.570 8.716 186 HG22 ILE 26 HG22 ILE 26 -2.129 -9.864 7.529 187 HG23 ILE 26 HG23 ILE 26 -0.729 -9.781 8.597 188 HD11 ILE 26 HD11 ILE 26 -0.323 -11.605 10.848 189 HD12 ILE 26 HD12 ILE 26 -0.160 -10.371 12.098 190 HD13 ILE 26 HD13 ILE 26 0.090 -9.951 10.403 191 H LEU 27 HN LEU 27 -3.864 -7.857 8.628 192 HA LEU 27 HA LEU 27 -3.837 -6.226 10.892 193 HB2 LEU 27 HB2 LEU 27 -2.949 -5.114 9.148 194 HB3 LEU 27 HB1 LEU 27 -3.879 -6.066 8.025 195 HG LEU 27 HG LEU 27 -5.781 -4.503 8.288 196 HD11 LEU 27 HD11 LEU 27 -3.882 -2.801 9.857 197 HD12 LEU 27 HD12 LEU 27 -5.324 -3.654 10.464 198 HD13 LEU 27 HD13 LEU 27 -5.498 -2.385 9.244 199 HD21 LEU 27 HD21 LEU 27 -4.802 -2.704 6.991 200 HD22 LEU 27 HD22 LEU 27 -4.241 -4.289 6.459 201 HD23 LEU 27 HD23 LEU 27 -3.189 -3.264 7.433 202 H SER 28 HN SER 28 -6.368 -7.114 8.698 203 HA SER 28 HA SER 28 -8.255 -5.733 10.440 204 HB2 SER 28 HB2 SER 28 -8.477 -6.351 7.531 205 HB3 SER 28 HB1 SER 28 -9.699 -5.560 8.532 206 HG SER 28 HG SER 28 -8.050 -3.988 9.030 207 H SER 29 HN SER 29 -7.268 -8.644 9.677 208 HA SER 29 HA SER 29 -7.869 -10.767 10.205 209 HB2 SER 29 HB2 SER 29 -10.338 -9.535 11.465 210 HB3 SER 29 HB1 SER 29 -9.702 -11.153 11.773 211 HG SER 29 HG SER 29 -9.154 -9.421 13.299 212 H THR 30 HN THR 30 -8.931 -9.217 7.779 213 HA THR 30 HA THR 30 -10.139 -9.387 5.987 214 HB THR 30 HB THR 30 -8.683 -11.248 5.485 215 HG1 THR 30 HG1 THR 30 -11.217 -12.175 4.715 216 HG21 THR 30 HG21 THR 30 -10.699 -13.083 6.794 217 HG22 THR 30 HG22 THR 30 -9.107 -12.663 7.421 218 HG23 THR 30 HG23 THR 30 -9.241 -13.594 5.926 219 H ASN 31 HN ASN 31 -11.717 -9.888 8.635 220 HA ASN 31 HA ASN 31 -14.262 -10.145 7.246 221 HB2 ASN 31 HB2 ASN 31 -13.536 -11.335 9.939 222 HB3 ASN 31 HB1 ASN 31 -15.189 -11.182 9.363 223 HD21 ASN 31 HD21 ASN 31 -13.589 -13.534 10.036 224 HD22 ASN 31 HD22 ASN 31 -13.631 -14.553 8.634 225 H VAL 32 HN VAL 32 -14.266 -8.061 7.064 226 HA VAL 32 HA VAL 32 -14.304 -6.392 9.477 227 HB VAL 32 HB VAL 32 -13.795 -5.673 6.587 228 HG11 VAL 32 HG11 VAL 32 -14.666 -3.764 7.837 229 HG12 VAL 32 HG12 VAL 32 -12.962 -3.516 7.455 230 HG13 VAL 32 HG13 VAL 32 -13.440 -4.001 9.080 231 HG21 VAL 32 HG21 VAL 32 -12.017 -7.052 7.437 232 HG22 VAL 32 HG22 VAL 32 -11.831 -5.994 8.835 233 HG23 VAL 32 HG23 VAL 32 -11.453 -5.397 7.217 234 H GLY 33 HN GLY 33 -16.186 -7.823 7.111 235 HA2 GLY 33 HA2 GLY 33 -18.565 -7.548 7.109 236 HA3 GLY 33 HA1 GLY 33 -18.322 -5.843 7.494 237 H SER 34 HN SER 34 -15.966 -6.375 5.406 238 HA SER 34 HA SER 34 -17.406 -5.257 3.174 239 HB2 SER 34 HB2 SER 34 -14.479 -5.998 3.454 240 HB3 SER 34 HB1 SER 34 -15.197 -5.008 2.183 241 HG SER 34 HG SER 34 -14.566 -3.521 3.522 242 H ASN 35 HN ASN 35 -17.172 -8.147 4.324 243 HA ASN 35 HA ASN 35 -16.525 -9.857 2.126 244 HB2 ASN 35 HB2 ASN 35 -18.220 -10.438 4.564 245 HB3 ASN 35 HB1 ASN 35 -17.404 -11.623 3.545 246 HD21 ASN 35 HD21 ASN 35 -15.124 -11.859 3.775 247 HD22 ASN 35 HD22 ASN 35 -14.305 -11.245 5.162 248 H THR 36 HN THR 36 -19.008 -7.755 2.693 249 HA THR 36 HA THR 36 -21.214 -9.262 1.678 250 HB THR 36 HB THR 36 -22.277 -6.920 1.843 251 HG1 THR 36 HG1 THR 36 -20.279 -6.152 3.583 252 HG21 THR 36 HG21 THR 36 -22.407 -7.027 4.308 253 HG22 THR 36 HG22 THR 36 -21.068 -8.175 4.325 254 HG23 THR 36 HG23 THR 36 -22.608 -8.624 3.594 255 H TYC 37 HN ATY 37 -18.689 -7.743 0.404 256 HA TYC 37 HA ATY 37 -19.978 -6.628 -1.948 257 HB1 TYC 37 HB1 ATY 37 -17.588 -6.210 -2.740 258 HB2 TYC 37 HB2 ATY 37 -17.069 -6.764 -1.155 259 HD1 TYC 37 HD1 ATY 37 -18.426 -4.016 -3.054 260 HD2 TYC 37 HD2 ATY 37 -17.706 -5.451 0.883 261 HE1 TYC 37 HE1 ATY 37 -18.689 -1.732 -2.182 262 HE2 TYC 37 HE2 ATY 37 -17.973 -3.172 1.767 263 HH TYC 37 HH ATY 37 -19.220 -0.606 -0.145 264 HT21 TYC 37 HT21 ATY 37 -17.129 -8.686 -1.944 265 HT22 TYC 37 HT22 ATY 37 -17.722 -9.793 -3.129 Start of MODEL 6 1 H1 LYS 1 HT1 LYS 1 11.478 6.247 9.909 2 H2 LYS 1 HT2 LYS 1 11.983 4.735 9.404 3 H3 LYS 1 HT3 LYS 1 10.511 4.884 10.219 4 HA LYS 1 HA LYS 1 10.219 4.537 7.855 5 HB2 LYS 1 HB2 LYS 1 8.753 6.424 7.375 6 HB3 LYS 1 HB1 LYS 1 8.582 5.991 9.067 7 HG2 LYS 1 HG2 LYS 1 9.953 7.878 9.725 8 HG3 LYS 1 HG1 LYS 1 10.267 8.268 8.035 9 HD2 LYS 1 HD2 LYS 1 7.842 8.644 7.709 10 HD3 LYS 1 HD1 LYS 1 7.590 8.338 9.427 11 HE2 LYS 1 HE2 LYS 1 8.998 10.219 9.998 12 HE3 LYS 1 HE1 LYS 1 9.349 10.509 8.294 13 HZ1 LYS 1 HZ1 LYS 1 7.690 12.017 9.096 14 HZ2 LYS 1 HZ2 LYS 1 6.690 10.766 9.610 15 HZ3 LYS 1 HZ3 LYS 1 6.981 11.000 7.966 16 H CYS 2 HN CYS 2 10.243 5.975 5.702 17 HA CYS 2 HA CYS 2 12.520 7.658 5.533 18 HB2 CYS 2 HB2 CYS 2 13.507 6.243 3.682 19 HB3 CYS 2 HB1 CYS 2 13.761 5.670 5.336 20 H ASN 3 HN ASN 3 12.758 8.531 3.312 21 HA ASN 3 HA ASN 3 10.232 8.490 1.845 22 HB2 ASN 3 HB2 ASN 3 9.975 10.917 2.011 23 HB3 ASN 3 HB1 ASN 3 9.936 10.161 3.594 24 HD21 ASN 3 HD21 ASN 3 11.580 12.365 1.546 25 HD22 ASN 3 HD22 ASN 3 12.755 12.900 2.692 26 H THR 4 HN THR 4 13.232 7.948 1.435 27 HA THR 4 HA THR 4 13.666 9.772 -0.814 28 HB THR 4 HB THR 4 15.585 9.620 0.722 29 HG1 THR 4 HG1 THR 4 16.724 9.790 -1.038 30 HG21 THR 4 HG21 THR 4 15.157 7.364 1.606 31 HG22 THR 4 HG22 THR 4 16.816 7.533 1.033 32 HG23 THR 4 HG23 THR 4 15.623 6.678 0.053 33 H ALA 5 HN ALA 5 14.671 8.707 -2.722 34 HA ALA 5 HA ALA 5 12.872 6.751 -3.777 35 HB1 ALA 5 HB1 ALA 5 14.188 6.897 -5.833 36 HB2 ALA 5 HB2 ALA 5 15.430 7.814 -4.976 37 HB3 ALA 5 HB3 ALA 5 13.819 8.498 -5.196 38 H THR 6 HN THR 6 15.836 6.607 -2.160 39 HA THR 6 HA THR 6 16.597 3.995 -3.033 40 HB THR 6 HB THR 6 17.440 5.595 -0.608 41 HG1 THR 6 HG1 THR 6 18.891 5.381 -3.007 42 HG21 THR 6 HG21 THR 6 18.783 3.295 -2.058 43 HG22 THR 6 HG22 THR 6 18.069 3.249 -0.452 44 HG23 THR 6 HG23 THR 6 19.511 4.228 -0.741 45 H CYS 7 HN CYS 7 14.169 5.171 -0.917 46 HA CYS 7 HA CYS 7 14.291 2.643 0.598 47 HB2 CYS 7 HB2 CYS 7 15.275 4.682 1.602 48 HB3 CYS 7 HB1 CYS 7 13.662 5.227 1.802 49 H ALA 8 HN ALA 8 12.253 5.436 -0.306 50 HA ALA 8 HA ALA 8 9.900 4.466 0.851 51 HB1 ALA 8 HB1 ALA 8 10.161 6.760 0.120 52 HB2 ALA 8 HB2 ALA 8 8.768 6.016 -0.675 53 HB3 ALA 8 HB3 ALA 8 10.284 6.239 -1.563 54 H THR 9 HN THR 9 11.666 3.764 -1.914 55 HA THR 9 HA THR 9 9.701 2.465 -3.533 56 HB THR 9 HB THR 9 11.762 1.457 -4.551 57 HG1 THR 9 HG1 THR 9 13.683 2.760 -3.822 58 HG21 THR 9 HG21 THR 9 12.405 3.620 -5.586 59 HG22 THR 9 HG22 THR 9 11.518 4.467 -4.318 60 HG23 THR 9 HG23 THR 9 10.656 3.437 -5.461 61 H GLN 10 HN GLN 10 11.820 1.567 -1.054 62 HA GLN 10 HA GLN 10 11.599 -1.287 -1.283 63 HB2 GLN 10 HB2 GLN 10 12.454 0.286 1.152 64 HB3 GLN 10 HB1 GLN 10 12.817 -1.398 0.803 65 HG2 GLN 10 HG2 GLN 10 13.828 1.003 -0.691 66 HG3 GLN 10 HG1 GLN 10 14.748 -0.010 0.418 67 HE21 GLN 10 HE21 GLN 10 15.001 0.691 -2.399 68 HE22 GLN 10 HE22 GLN 10 15.191 -0.786 -3.255 69 H ARG 11 HN ARG 11 10.177 1.272 0.519 70 HA ARG 11 HA ARG 11 8.527 -0.296 2.230 71 HB2 ARG 11 HB2 ARG 11 7.796 2.424 1.109 72 HB3 ARG 11 HB1 ARG 11 7.230 1.709 2.605 73 HG2 ARG 11 HG2 ARG 11 10.034 2.651 2.048 74 HG3 ARG 11 HG1 ARG 11 8.822 3.510 2.996 75 HD2 ARG 11 HD2 ARG 11 10.069 0.847 3.618 76 HD3 ARG 11 HD1 ARG 11 10.377 2.400 4.410 77 HE ARG 11 HE ARG 11 7.631 1.797 4.531 78 HH11 ARG 11 HH11 ARG 11 10.681 0.851 6.070 79 HH12 ARG 11 HH12 ARG 11 9.965 0.309 7.502 80 HH21 ARG 11 HH21 ARG 11 6.637 1.069 6.426 81 HH22 ARG 11 HH22 ARG 11 7.536 0.430 7.730 82 H LEU 12 HN LEU 12 8.123 1.126 -0.947 83 HA LEU 12 HA LEU 12 5.545 0.310 -1.597 84 HB2 LEU 12 HB2 LEU 12 8.047 0.808 -3.033 85 HB3 LEU 12 HB1 LEU 12 6.727 0.417 -4.002 86 HG LEU 12 HG LEU 12 7.120 2.882 -2.287 87 HD11 LEU 12 HD11 LEU 12 8.093 2.918 -4.531 88 HD12 LEU 12 HD12 LEU 12 6.776 4.073 -4.370 89 HD13 LEU 12 HD13 LEU 12 6.510 2.549 -5.212 90 HD21 LEU 12 HD21 LEU 12 4.831 2.194 -1.918 91 HD22 LEU 12 HD22 LEU 12 4.573 2.036 -3.655 92 HD23 LEU 12 HD23 LEU 12 4.872 3.624 -2.948 93 H ALA 13 HN ALA 13 8.660 -1.292 -1.802 94 HA ALA 13 HA ALA 13 7.705 -3.525 -3.189 95 HB1 ALA 13 HB1 ALA 13 10.195 -3.289 -1.497 96 HB2 ALA 13 HB2 ALA 13 10.072 -2.919 -3.216 97 HB3 ALA 13 HB3 ALA 13 9.862 -4.577 -2.654 98 H ASN 14 HN ASN 14 7.948 -2.658 0.154 99 HA ASN 14 HA ASN 14 7.441 -5.314 1.221 100 HB2 ASN 14 HB2 ASN 14 7.565 -2.621 2.589 101 HB3 ASN 14 HB1 ASN 14 7.199 -4.123 3.423 102 HD21 ASN 14 HD21 ASN 14 9.547 -3.964 0.870 103 HD22 ASN 14 HD22 ASN 14 10.948 -4.154 1.840 104 H PHE 15 HN PHE 15 5.534 -3.021 -0.196 105 HA PHE 15 HA PHE 15 3.282 -3.407 1.537 106 HB2 PHE 15 HB2 PHE 15 3.009 -1.249 0.915 107 HB3 PHE 15 HB1 PHE 15 4.247 -1.395 -0.311 108 HD1 PHE 15 HD1 PHE 15 3.650 -1.938 -2.593 109 HD2 PHE 15 HD2 PHE 15 0.673 -1.339 0.379 110 HE1 PHE 15 HE1 PHE 15 1.999 -1.665 -4.344 111 HE2 PHE 15 HE2 PHE 15 -1.027 -1.052 -1.377 112 HZ PHE 15 HZ PHE 15 -0.377 -1.208 -3.748 113 H LEU 16 HN LEU 16 4.783 -4.711 -1.198 114 HA LEU 16 HA LEU 16 2.386 -6.163 -1.853 115 HB2 LEU 16 HB2 LEU 16 2.318 -5.279 -3.771 116 HB3 LEU 16 HB1 LEU 16 3.426 -4.131 -3.209 117 HG LEU 16 HG LEU 16 4.429 -6.554 -4.717 118 HD11 LEU 16 HD11 LEU 16 2.942 -5.266 -6.166 119 HD12 LEU 16 HD12 LEU 16 4.626 -5.040 -6.649 120 HD13 LEU 16 HD13 LEU 16 3.793 -3.786 -5.727 121 HD21 LEU 16 HD21 LEU 16 6.415 -5.113 -5.010 122 HD22 LEU 16 HD22 LEU 16 6.063 -5.421 -3.306 123 HD23 LEU 16 HD23 LEU 16 5.616 -3.881 -4.029 124 H VAL 17 HN VAL 17 4.843 -6.776 -0.282 125 HA VAL 17 HA VAL 17 6.697 -8.230 -1.932 126 HB VAL 17 HB VAL 17 7.539 -6.927 -0.082 127 HG11 VAL 17 HG11 VAL 17 7.112 -7.536 2.274 128 HG12 VAL 17 HG12 VAL 17 5.943 -8.747 1.700 129 HG13 VAL 17 HG13 VAL 17 5.634 -7.061 1.421 130 HG21 VAL 17 HG21 VAL 17 8.961 -8.576 1.031 131 HG22 VAL 17 HG22 VAL 17 8.834 -8.897 -0.702 132 HG23 VAL 17 HG23 VAL 17 7.909 -9.867 0.452 133 H HIS 18 HN HIS 18 4.416 -9.034 0.545 134 HA HIS 18 HA HIS 18 4.214 -11.711 -0.527 135 HB2 HIS 18 HB2 HIS 18 3.999 -12.567 1.659 136 HB3 HIS 18 HB1 HIS 18 5.625 -11.896 1.506 137 HD1 HIS 18 HD1 HIS 18 4.471 -12.554 4.288 138 HD2 HIS 18 HD2 HIS 18 3.999 -8.844 2.498 139 HE1 HIS 18 HE1 HIS 18 4.093 -10.954 6.160 140 HE2 HIS 18 HE2 HIS 18 3.514 -8.795 5.026 141 H SER 19 HN SER 19 2.959 -9.189 -0.772 142 HA SER 19 HA SER 19 0.464 -9.586 0.640 143 HB2 SER 19 HB2 SER 19 1.723 -7.175 -0.477 144 HB3 SER 19 HB1 SER 19 0.160 -7.197 0.315 145 HG SER 19 HG SER 19 1.156 -7.462 2.233 146 H SER 20 HN SER 20 1.516 -10.511 -1.981 147 HA SER 20 HA SER 20 0.671 -9.064 -4.171 148 HB2 SER 20 HB2 SER 20 1.018 -12.042 -3.984 149 HB3 SER 20 HB1 SER 20 1.180 -11.035 -5.428 150 HG SER 20 HG SER 20 2.943 -10.055 -4.572 151 H ASN 21 HN ASN 21 -1.111 -10.925 -2.027 152 HA ASN 21 HA ASN 21 -3.487 -11.091 -3.771 153 HB2 ASN 21 HB2 ASN 21 -2.400 -12.809 -1.613 154 HB3 ASN 21 HB1 ASN 21 -4.087 -12.995 -2.136 155 HD21 ASN 21 HD21 ASN 21 -0.773 -13.590 -2.757 156 HD22 ASN 21 HD22 ASN 21 -0.957 -14.576 -4.166 157 H ASN 22 HN ASN 22 -2.350 -9.028 -1.687 158 HA ASN 22 HA ASN 22 -4.588 -8.993 0.178 159 HB2 ASN 22 HB2 ASN 22 -1.806 -9.471 0.632 160 HB3 ASN 22 HB1 ASN 22 -2.436 -8.144 1.590 161 HD21 ASN 22 HD21 ASN 22 -4.381 -10.812 0.460 162 HD22 ASN 22 HD22 ASN 22 -4.608 -11.555 1.972 163 H PHE 23 HN PHE 23 -1.931 -7.405 -1.270 164 HA PHE 23 HA PHE 23 -2.181 -5.008 -0.015 165 HB2 PHE 23 HB2 PHE 23 -0.413 -4.269 -1.397 166 HB3 PHE 23 HB1 PHE 23 -0.315 -6.006 -1.233 167 HD1 PHE 23 HD1 PHE 23 -0.647 -3.377 -3.651 168 HD2 PHE 23 HD2 PHE 23 -0.908 -7.385 -2.738 169 HE1 PHE 23 HE1 PHE 23 -0.395 -3.889 -6.069 170 HE2 PHE 23 HE2 PHE 23 -0.671 -8.045 -4.921 171 HZ PHE 23 HZ PHE 23 -0.401 -6.268 -6.787 172 H GLY 24 HN GLY 24 -3.751 -3.963 0.114 173 HA2 GLY 24 HA2 GLY 24 -5.570 -2.722 -0.207 174 HA3 GLY 24 HA1 GLY 24 -5.156 -2.365 -1.853 175 H ALA 25 HN ALA 25 -5.606 -5.526 -0.537 176 HA ALA 25 HA ALA 25 -8.169 -5.786 -1.880 177 HB1 ALA 25 HB1 ALA 25 -7.758 -8.232 -1.546 178 HB2 ALA 25 HB2 ALA 25 -6.230 -7.814 -0.766 179 HB3 ALA 25 HB3 ALA 25 -6.469 -7.446 -2.474 180 H ILE 26 HN ILE 26 -6.321 -6.429 0.952 181 HA ILE 26 HA ILE 26 -8.642 -6.557 2.543 182 HB ILE 26 HB ILE 26 -7.067 -8.266 3.065 183 HG12 ILE 26 HG12 ILE 26 -6.572 -6.116 4.976 184 HG13 ILE 26 HG11 ILE 26 -8.097 -6.994 5.019 185 HG21 ILE 26 HG21 ILE 26 -5.093 -7.380 2.036 186 HG22 ILE 26 HG22 ILE 26 -4.693 -7.682 3.739 187 HG23 ILE 26 HG23 ILE 26 -5.070 -6.047 3.169 188 HD11 ILE 26 HD11 ILE 26 -6.737 -9.089 5.474 189 HD12 ILE 26 HD12 ILE 26 -6.634 -7.883 6.758 190 HD13 ILE 26 HD13 ILE 26 -5.311 -8.060 5.605 191 H LEU 27 HN LEU 27 -5.800 -4.527 1.978 192 HA LEU 27 HA LEU 27 -6.113 -2.717 4.071 193 HB2 LEU 27 HB2 LEU 27 -4.126 -2.091 3.119 194 HB3 LEU 27 HB1 LEU 27 -4.587 -3.001 1.704 195 HG LEU 27 HG LEU 27 -5.579 -0.978 0.687 196 HD11 LEU 27 HD11 LEU 27 -4.525 0.509 3.062 197 HD12 LEU 27 HD12 LEU 27 -6.223 0.253 2.569 198 HD13 LEU 27 HD13 LEU 27 -5.136 1.181 1.533 199 HD21 LEU 27 HD21 LEU 27 -3.295 -1.583 0.176 200 HD22 LEU 27 HD22 LEU 27 -2.722 -0.671 1.572 201 HD23 LEU 27 HD23 LEU 27 -3.481 0.169 0.220 202 H SER 28 HN SER 28 -7.307 -2.732 0.835 203 HA SER 28 HA SER 28 -8.844 -0.372 1.289 204 HB2 SER 28 HB2 SER 28 -8.787 -2.296 -0.987 205 HB3 SER 28 HB1 SER 28 -9.639 -0.741 -1.033 206 HG SER 28 HG SER 28 -7.502 0.169 -0.496 207 H SER 29 HN SER 29 -9.199 -3.649 1.672 208 HA SER 29 HA SER 29 -10.724 -5.062 2.538 209 HB2 SER 29 HB2 SER 29 -12.197 -2.545 3.278 210 HB3 SER 29 HB1 SER 29 -12.468 -4.136 3.990 211 HG SER 29 HG SER 29 -9.864 -3.672 4.193 212 H THR 30 HN THR 30 -11.028 -3.944 -0.205 213 HA THR 30 HA THR 30 -13.813 -3.910 -0.698 214 HB THR 30 HB THR 30 -12.152 -2.580 -2.016 215 HG1 THR 30 HG1 THR 30 -13.359 -4.057 -4.000 216 HG21 THR 30 HG21 THR 30 -10.428 -4.309 -2.272 217 HG22 THR 30 HG22 THR 30 -10.922 -3.702 -3.853 218 HG23 THR 30 HG23 THR 30 -11.516 -5.262 -3.277 219 H ASN 31 HN ASN 31 -11.534 -6.370 -0.317 220 HA ASN 31 HA ASN 31 -13.321 -8.314 -1.649 221 HB2 ASN 31 HB2 ASN 31 -10.358 -8.558 -1.031 222 HB3 ASN 31 HB1 ASN 31 -11.346 -9.876 -1.640 223 HD21 ASN 31 HD21 ASN 31 -9.013 -8.664 -2.785 224 HD22 ASN 31 HD22 ASN 31 -9.449 -8.079 -4.342 225 H VAL 32 HN VAL 32 -13.050 -7.011 1.121 226 HA VAL 32 HA VAL 32 -12.888 -9.458 2.753 227 HB VAL 32 HB VAL 32 -12.827 -6.563 3.656 228 HG11 VAL 32 HG11 VAL 32 -12.241 -9.090 5.193 229 HG12 VAL 32 HG12 VAL 32 -13.656 -8.056 5.393 230 HG13 VAL 32 HG13 VAL 32 -12.050 -7.442 5.794 231 HG21 VAL 32 HG21 VAL 32 -10.891 -7.134 2.331 232 HG22 VAL 32 HG22 VAL 32 -10.559 -8.524 3.373 233 HG23 VAL 32 HG23 VAL 32 -10.451 -6.881 4.021 234 H GLY 33 HN GLY 33 -14.996 -6.929 1.691 235 HA2 GLY 33 HA2 GLY 33 -17.388 -7.891 2.011 236 HA3 GLY 33 HA1 GLY 33 -16.984 -7.632 3.703 237 H SER 34 HN SER 34 -15.330 -5.265 2.678 238 HA SER 34 HA SER 34 -17.394 -3.345 3.138 239 HB2 SER 34 HB2 SER 34 -15.097 -2.983 3.986 240 HB3 SER 34 HB1 SER 34 -14.495 -2.941 2.335 241 HG SER 34 HG SER 34 -16.529 -1.164 2.769 242 H ASN 35 HN ASN 35 -15.333 -4.195 0.412 243 HA ASN 35 HA ASN 35 -15.480 -3.906 -1.834 244 HB2 ASN 35 HB2 ASN 35 -17.515 -5.233 -1.533 245 HB3 ASN 35 HB1 ASN 35 -18.438 -3.771 -1.256 246 HD21 ASN 35 HD21 ASN 35 -15.917 -4.249 -3.784 247 HD22 ASN 35 HD22 ASN 35 -17.026 -4.032 -5.078 248 H THR 36 HN THR 36 -14.399 -1.992 -2.038 249 HA THR 36 HA THR 36 -15.966 0.438 -1.940 250 HB THR 36 HB THR 36 -13.559 1.420 -1.984 251 HG1 THR 36 HG1 THR 36 -12.013 0.027 -1.275 252 HG21 THR 36 HG21 THR 36 -14.581 -0.123 0.416 253 HG22 THR 36 HG22 THR 36 -15.061 1.515 -0.036 254 HG23 THR 36 HG23 THR 36 -13.403 1.190 0.464 255 H TYC 37 HN ATY 37 -15.140 -1.735 -4.046 256 HA TYC 37 HA ATY 37 -14.980 0.192 -6.249 257 HB1 TYC 37 HB1 ATY 37 -13.533 -1.415 -7.500 258 HB2 TYC 37 HB2 ATY 37 -13.487 -2.439 -6.074 259 HD1 TYC 37 HD1 ATY 37 -12.012 -2.003 -4.307 260 HD2 TYC 37 HD2 ATY 37 -12.478 0.863 -7.396 261 HE1 TYC 37 HE1 ATY 37 -10.090 -0.770 -3.429 262 HE2 TYC 37 HE2 ATY 37 -10.548 2.114 -6.535 263 HH TYC 37 HH ATY 37 -9.376 2.369 -4.339 264 HT21 TYC 37 HT21 ATY 37 -17.176 0.019 -6.479 265 HT22 TYC 37 HT22 ATY 37 -17.950 -1.397 -7.109 Start of MODEL 7 1 H1 LYS 1 HT1 LYS 1 11.146 6.868 9.858 2 H2 LYS 1 HT2 LYS 1 11.560 5.358 9.286 3 H3 LYS 1 HT3 LYS 1 10.141 5.546 10.187 4 HA LYS 1 HA LYS 1 9.704 5.315 7.833 5 HB2 LYS 1 HB2 LYS 1 8.206 6.741 9.228 6 HB3 LYS 1 HB1 LYS 1 9.218 8.125 8.853 7 HG2 LYS 1 HG2 LYS 1 8.606 7.975 6.508 8 HG3 LYS 1 HG1 LYS 1 7.657 6.528 6.830 9 HD2 LYS 1 HD2 LYS 1 6.186 8.444 6.661 10 HD3 LYS 1 HD1 LYS 1 6.199 7.850 8.320 11 HE2 LYS 1 HE2 LYS 1 7.768 9.643 8.937 12 HE3 LYS 1 HE1 LYS 1 7.747 10.218 7.269 13 HZ1 LYS 1 HZ1 LYS 1 6.236 11.509 8.666 14 HZ2 LYS 1 HZ2 LYS 1 5.413 10.118 9.100 15 HZ3 LYS 1 HZ3 LYS 1 5.367 10.649 7.514 16 H CYS 2 HN CYS 2 10.305 5.782 5.726 17 HA CYS 2 HA CYS 2 12.216 7.932 5.406 18 HB2 CYS 2 HB2 CYS 2 13.422 6.466 3.762 19 HB3 CYS 2 HB1 CYS 2 13.577 5.987 5.450 20 H ASN 3 HN ASN 3 12.371 8.746 3.226 21 HA ASN 3 HA ASN 3 9.954 8.338 1.626 22 HB2 ASN 3 HB2 ASN 3 9.442 10.740 1.587 23 HB3 ASN 3 HB1 ASN 3 9.401 10.132 3.236 24 HD21 ASN 3 HD21 ASN 3 10.997 12.191 0.985 25 HD22 ASN 3 HD22 ASN 3 12.015 13.016 2.111 26 H THR 4 HN THR 4 12.962 7.996 1.439 27 HA THR 4 HA THR 4 13.456 9.733 -0.853 28 HB THR 4 HB THR 4 15.297 9.724 0.770 29 HG1 THR 4 HG1 THR 4 16.701 9.681 -0.758 30 HG21 THR 4 HG21 THR 4 15.447 6.758 0.287 31 HG22 THR 4 HG22 THR 4 14.882 7.516 1.777 32 HG23 THR 4 HG23 THR 4 16.569 7.695 1.277 33 H ALA 5 HN ALA 5 14.376 8.776 -2.737 34 HA ALA 5 HA ALA 5 12.789 6.704 -3.808 35 HB1 ALA 5 HB1 ALA 5 13.707 8.510 -5.176 36 HB2 ALA 5 HB2 ALA 5 14.179 6.929 -5.808 37 HB3 ALA 5 HB3 ALA 5 15.335 7.893 -4.885 38 H THR 6 HN THR 6 15.736 6.667 -2.123 39 HA THR 6 HA THR 6 16.579 4.095 -3.061 40 HB THR 6 HB THR 6 17.473 5.800 -0.736 41 HG1 THR 6 HG1 THR 6 18.621 5.468 -3.302 42 HG21 THR 6 HG21 THR 6 18.127 3.487 -0.467 43 HG22 THR 6 HG22 THR 6 19.550 4.478 -0.820 44 HG23 THR 6 HG23 THR 6 18.838 3.453 -2.083 45 H CYS 7 HN CYS 7 14.230 5.161 -0.816 46 HA CYS 7 HA CYS 7 14.562 2.704 0.813 47 HB2 CYS 7 HB2 CYS 7 15.239 4.994 1.742 48 HB3 CYS 7 HB1 CYS 7 13.576 5.261 1.810 49 H ALA 8 HN ALA 8 12.320 5.323 -0.106 50 HA ALA 8 HA ALA 8 10.064 4.139 1.032 51 HB1 ALA 8 HB1 ALA 8 10.260 6.114 -1.242 52 HB2 ALA 8 HB2 ALA 8 10.215 6.500 0.482 53 HB3 ALA 8 HB3 ALA 8 8.814 5.752 -0.286 54 H THR 9 HN THR 9 11.806 3.678 -1.810 55 HA THR 9 HA THR 9 9.792 2.434 -3.425 56 HB THR 9 HB THR 9 11.796 1.520 -4.627 57 HG1 THR 9 HG1 THR 9 13.635 3.140 -3.842 58 HG21 THR 9 HG21 THR 9 12.346 3.736 -5.586 59 HG22 THR 9 HG22 THR 9 11.555 4.504 -4.212 60 HG23 THR 9 HG23 THR 9 10.607 3.538 -5.348 61 H GLN 10 HN GLN 10 12.008 1.451 -1.096 62 HA GLN 10 HA GLN 10 11.785 -1.393 -1.448 63 HB2 GLN 10 HB2 GLN 10 12.702 0.067 1.029 64 HB3 GLN 10 HB1 GLN 10 13.107 -1.585 0.557 65 HG2 GLN 10 HG2 GLN 10 14.022 0.975 -0.733 66 HG3 GLN 10 HG1 GLN 10 14.982 -0.124 0.247 67 HE21 GLN 10 HE21 GLN 10 15.254 0.868 -2.451 68 HE22 GLN 10 HE22 GLN 10 15.459 -0.519 -3.466 69 H ARG 11 HN ARG 11 10.443 1.118 0.523 70 HA ARG 11 HA ARG 11 8.814 -0.489 2.212 71 HB2 ARG 11 HB2 ARG 11 8.144 2.303 1.221 72 HB3 ARG 11 HB1 ARG 11 7.501 1.531 2.655 73 HG2 ARG 11 HG2 ARG 11 10.338 2.424 2.218 74 HG3 ARG 11 HG1 ARG 11 9.131 3.212 3.237 75 HD2 ARG 11 HD2 ARG 11 10.320 0.491 3.572 76 HD3 ARG 11 HD1 ARG 11 10.642 1.920 4.557 77 HE ARG 11 HE ARG 11 7.867 1.318 4.550 78 HH11 ARG 11 HH11 ARG 11 10.899 0.222 5.955 79 HH12 ARG 11 HH12 ARG 11 10.193 -0.425 7.362 80 HH21 ARG 11 HH21 ARG 11 6.854 0.432 6.428 81 HH22 ARG 11 HH22 ARG 11 7.780 -0.301 7.650 82 H LEU 12 HN LEU 12 8.316 1.072 -0.873 83 HA LEU 12 HA LEU 12 5.704 0.350 -1.429 84 HB2 LEU 12 HB2 LEU 12 8.155 0.827 -2.959 85 HB3 LEU 12 HB1 LEU 12 6.781 0.521 -3.883 86 HG LEU 12 HG LEU 12 7.336 2.888 -2.086 87 HD11 LEU 12 HD11 LEU 12 6.912 4.194 -4.094 88 HD12 LEU 12 HD12 LEU 12 6.579 2.719 -4.994 89 HD13 LEU 12 HD13 LEU 12 8.195 3.020 -4.374 90 HD21 LEU 12 HD21 LEU 12 5.041 2.281 -1.598 91 HD22 LEU 12 HD22 LEU 12 4.684 2.158 -3.316 92 HD23 LEU 12 HD23 LEU 12 5.063 3.728 -2.609 93 H ALA 13 HN ALA 13 8.768 -1.305 -1.970 94 HA ALA 13 HA ALA 13 7.664 -3.476 -3.323 95 HB1 ALA 13 HB1 ALA 13 9.818 -4.604 -2.957 96 HB2 ALA 13 HB2 ALA 13 10.252 -3.366 -1.776 97 HB3 ALA 13 HB3 ALA 13 10.042 -2.932 -3.471 98 H ASN 14 HN ASN 14 8.243 -2.803 0.040 99 HA ASN 14 HA ASN 14 7.593 -5.449 1.025 100 HB2 ASN 14 HB2 ASN 14 7.852 -2.833 2.495 101 HB3 ASN 14 HB1 ASN 14 7.448 -4.371 3.252 102 HD21 ASN 14 HD21 ASN 14 9.792 -4.070 0.707 103 HD22 ASN 14 HD22 ASN 14 11.173 -4.392 1.674 104 H PHE 15 HN PHE 15 5.669 -3.026 -0.239 105 HA PHE 15 HA PHE 15 3.598 -3.249 1.728 106 HB2 PHE 15 HB2 PHE 15 3.446 -1.086 1.077 107 HB3 PHE 15 HB1 PHE 15 4.471 -1.384 -0.317 108 HD1 PHE 15 HD1 PHE 15 0.968 -1.427 0.909 109 HD2 PHE 15 HD2 PHE 15 3.544 -1.547 -2.475 110 HE1 PHE 15 HE1 PHE 15 -0.971 -1.100 -0.574 111 HE2 PHE 15 HE2 PHE 15 1.626 -1.227 -3.964 112 HZ PHE 15 HZ PHE 15 -0.647 -1.002 -3.017 113 H LEU 16 HN LEU 16 4.688 -4.470 -1.264 114 HA LEU 16 HA LEU 16 2.162 -5.829 -1.552 115 HB2 LEU 16 HB2 LEU 16 1.939 -5.059 -3.542 116 HB3 LEU 16 HB1 LEU 16 3.012 -3.860 -3.025 117 HG LEU 16 HG LEU 16 4.057 -6.215 -4.598 118 HD11 LEU 16 HD11 LEU 16 2.465 -4.961 -5.963 119 HD12 LEU 16 HD12 LEU 16 4.120 -4.689 -6.511 120 HD13 LEU 16 HD13 LEU 16 3.296 -3.457 -5.559 121 HD21 LEU 16 HD21 LEU 16 5.184 -3.507 -3.936 122 HD22 LEU 16 HD22 LEU 16 5.960 -4.718 -4.954 123 HD23 LEU 16 HD23 LEU 16 5.706 -5.036 -3.235 124 H VAL 17 HN VAL 17 4.965 -6.423 -0.472 125 HA VAL 17 HA VAL 17 6.197 -8.323 -2.161 126 HB VAL 17 HB VAL 17 7.385 -7.042 -0.435 127 HG11 VAL 17 HG11 VAL 17 5.789 -6.983 1.317 128 HG12 VAL 17 HG12 VAL 17 7.278 -7.699 1.949 129 HG13 VAL 17 HG13 VAL 17 5.886 -8.717 1.541 130 HG21 VAL 17 HG21 VAL 17 8.494 -8.993 -1.228 131 HG22 VAL 17 HG22 VAL 17 7.574 -10.023 -0.136 132 HG23 VAL 17 HG23 VAL 17 8.751 -8.865 0.515 133 H HIS 18 HN HIS 18 4.048 -8.592 0.538 134 HA HIS 18 HA HIS 18 3.260 -11.282 -0.278 135 HB2 HIS 18 HB2 HIS 18 4.041 -10.556 2.567 136 HB3 HIS 18 HB1 HIS 18 3.109 -11.976 2.141 137 HD1 HIS 18 HD1 HIS 18 4.418 -14.036 1.670 138 HD2 HIS 18 HD2 HIS 18 6.713 -10.606 1.488 139 HE1 HIS 18 HE1 HIS 18 6.775 -14.832 1.435 140 HE2 HIS 18 HE2 HIS 18 8.156 -12.738 1.585 141 H SER 19 HN SER 19 2.800 -8.750 2.081 142 HA SER 19 HA SER 19 1.013 -7.368 2.578 143 HB2 SER 19 HB2 SER 19 -0.166 -8.613 0.121 144 HB3 SER 19 HB1 SER 19 -0.750 -7.112 0.880 145 HG SER 19 HG SER 19 1.222 -6.164 0.281 146 H SER 20 HN SER 20 1.054 -10.557 3.011 147 HA SER 20 HA SER 20 -1.492 -11.551 3.244 148 HB2 SER 20 HB2 SER 20 0.898 -12.178 4.965 149 HB3 SER 20 HB1 SER 20 -0.461 -13.243 4.580 150 HG SER 20 HG SER 20 0.180 -13.354 2.516 151 H ASN 21 HN ASN 21 0.314 -9.548 5.389 152 HA ASN 21 HA ASN 21 -1.032 -9.646 7.762 153 HB2 ASN 21 HB2 ASN 21 1.078 -8.394 6.911 154 HB3 ASN 21 HB1 ASN 21 -0.068 -7.087 6.611 155 HD21 ASN 21 HD21 ASN 21 1.473 -9.023 8.851 156 HD22 ASN 21 HD22 ASN 21 1.038 -8.162 10.261 157 H ASN 22 HN ASN 22 -1.723 -7.947 4.795 158 HA ASN 22 HA ASN 22 -4.043 -6.683 6.054 159 HB2 ASN 22 HB2 ASN 22 -2.102 -6.016 4.012 160 HB3 ASN 22 HB1 ASN 22 -3.574 -5.016 4.028 161 HD21 ASN 22 HD21 ASN 22 -3.318 -5.510 7.162 162 HD22 ASN 22 HD22 ASN 22 -2.104 -4.434 7.662 163 H PHE 23 HN PHE 23 -3.198 -9.165 4.554 164 HA PHE 23 HA PHE 23 -5.430 -9.357 2.693 165 HB2 PHE 23 HB2 PHE 23 -2.730 -10.012 2.808 166 HB3 PHE 23 HB1 PHE 23 -3.502 -11.498 2.448 167 HD1 PHE 23 HD1 PHE 23 -2.910 -8.028 1.599 168 HD2 PHE 23 HD2 PHE 23 -4.443 -11.686 0.149 169 HE1 PHE 23 HE1 PHE 23 -2.925 -7.091 -0.624 170 HE2 PHE 23 HE2 PHE 23 -4.477 -10.773 -2.135 171 HZ PHE 23 HZ PHE 23 -3.716 -8.465 -2.542 172 H GLY 24 HN GLY 24 -4.798 -9.783 5.724 173 HA2 GLY 24 HA2 GLY 24 -6.795 -10.981 6.712 174 HA3 GLY 24 HA1 GLY 24 -6.135 -12.434 6.016 175 H ALA 25 HN ALA 25 -4.627 -9.718 7.750 176 HA ALA 25 HA ALA 25 -4.174 -11.556 9.975 177 HB1 ALA 25 HB1 ALA 25 -2.344 -9.904 10.599 178 HB2 ALA 25 HB2 ALA 25 -2.674 -9.098 9.045 179 HB3 ALA 25 HB3 ALA 25 -2.081 -10.747 9.060 180 H ILE 26 HN ILE 26 -4.634 -8.288 9.013 181 HA ILE 26 HA ILE 26 -5.921 -7.506 11.346 182 HB ILE 26 HB ILE 26 -4.680 -5.897 10.123 183 HG12 ILE 26 HG12 ILE 26 -7.502 -5.453 9.576 184 HG13 ILE 26 HG11 ILE 26 -6.819 -5.131 11.169 185 HG21 ILE 26 HG21 ILE 26 -4.730 -6.866 7.905 186 HG22 ILE 26 HG22 ILE 26 -5.291 -5.195 7.805 187 HG23 ILE 26 HG23 ILE 26 -6.452 -6.525 7.762 188 HD11 ILE 26 HD11 ILE 26 -5.362 -3.387 10.088 189 HD12 ILE 26 HD12 ILE 26 -7.084 -3.020 9.961 190 HD13 ILE 26 HD13 ILE 26 -6.218 -3.676 8.574 191 H LEU 27 HN LEU 27 -6.887 -8.687 8.214 192 HA LEU 27 HA LEU 27 -9.620 -7.952 8.514 193 HB2 LEU 27 HB2 LEU 27 -9.530 -8.100 6.273 194 HB3 LEU 27 HB1 LEU 27 -7.888 -8.644 6.470 195 HG LEU 27 HG LEU 27 -8.672 -11.017 6.367 196 HD11 LEU 27 HD11 LEU 27 -10.828 -11.517 5.477 197 HD12 LEU 27 HD12 LEU 27 -11.337 -9.823 5.692 198 HD13 LEU 27 HD13 LEU 27 -10.887 -10.825 7.093 199 HD21 LEU 27 HD21 LEU 27 -9.380 -9.267 4.027 200 HD22 LEU 27 HD22 LEU 27 -9.101 -11.004 3.964 201 HD23 LEU 27 HD23 LEU 27 -7.784 -9.920 4.405 202 H SER 28 HN SER 28 -7.761 -10.841 8.631 203 HA SER 28 HA SER 28 -10.005 -12.421 9.065 204 HB2 SER 28 HB2 SER 28 -7.113 -13.033 9.560 205 HB3 SER 28 HB1 SER 28 -8.393 -14.258 9.513 206 HG SER 28 HG SER 28 -8.781 -13.679 7.384 207 H SER 29 HN SER 29 -7.444 -11.199 11.226 208 HA SER 29 HA SER 29 -7.181 -10.922 13.386 209 HB2 SER 29 HB2 SER 29 -10.200 -10.960 13.536 210 HB3 SER 29 HB1 SER 29 -9.127 -10.342 14.798 211 HG SER 29 HG SER 29 -10.045 -9.074 12.637 212 H THR 30 HN THR 30 -9.220 -13.532 12.662 213 HA THR 30 HA THR 30 -8.957 -15.068 15.035 214 HB THR 30 HB THR 30 -10.824 -15.231 13.456 215 HG1 THR 30 HG1 THR 30 -10.608 -17.078 14.575 216 HG21 THR 30 HG21 THR 30 -9.575 -14.792 11.417 217 HG22 THR 30 HG22 THR 30 -10.556 -16.250 11.239 218 HG23 THR 30 HG23 THR 30 -8.811 -16.375 11.519 219 H ASN 31 HN ASN 31 -6.392 -14.161 13.928 220 HA ASN 31 HA ASN 31 -5.135 -16.479 12.631 221 HB2 ASN 31 HB2 ASN 31 -4.011 -13.767 13.395 222 HB3 ASN 31 HB1 ASN 31 -3.146 -14.996 12.490 223 HD21 ASN 31 HD21 ASN 31 -3.595 -15.259 10.321 224 HD22 ASN 31 HD22 ASN 31 -4.559 -14.124 9.438 225 H VAL 32 HN VAL 32 -5.662 -14.907 15.461 226 HA VAL 32 HA VAL 32 -3.422 -15.600 16.998 227 HB VAL 32 HB VAL 32 -4.746 -14.761 18.859 228 HG11 VAL 32 HG11 VAL 32 -3.568 -13.177 17.448 229 HG12 VAL 32 HG12 VAL 32 -5.080 -12.482 18.035 230 HG13 VAL 32 HG13 VAL 32 -4.968 -13.077 16.380 231 HG21 VAL 32 HG21 VAL 32 -6.936 -15.635 18.263 232 HG22 VAL 32 HG22 VAL 32 -6.994 -14.560 16.865 233 HG23 VAL 32 HG23 VAL 32 -7.007 -13.888 18.496 234 H GLY 33 HN GLY 33 -6.379 -17.274 16.214 235 HA2 GLY 33 HA2 GLY 33 -6.027 -19.172 18.376 236 HA3 GLY 33 HA1 GLY 33 -7.288 -19.223 17.157 237 H SER 34 HN SER 34 -5.029 -18.788 15.148 238 HA SER 34 HA SER 34 -4.444 -21.614 14.819 239 HB2 SER 34 HB2 SER 34 -5.298 -20.245 12.885 240 HB3 SER 34 HB1 SER 34 -3.825 -19.285 12.959 241 HG SER 34 HG SER 34 -4.139 -22.012 12.296 242 H ASN 35 HN ASN 35 -2.726 -18.492 14.954 243 HA ASN 35 HA ASN 35 -0.376 -19.961 15.832 244 HB2 ASN 35 HB2 ASN 35 -0.638 -17.169 14.701 245 HB3 ASN 35 HB1 ASN 35 0.815 -17.709 15.530 246 HD21 ASN 35 HD21 ASN 35 0.647 -20.431 14.451 247 HD22 ASN 35 HD22 ASN 35 1.089 -20.315 12.792 248 H THR 36 HN THR 36 -0.900 -20.441 17.770 249 HA THR 36 HA THR 36 -2.102 -18.616 19.513 250 HB THR 36 HB THR 36 -1.575 -20.583 21.125 251 HG1 THR 36 HG1 THR 36 -0.247 -21.898 20.075 252 HG21 THR 36 HG21 THR 36 -3.415 -20.877 18.738 253 HG22 THR 36 HG22 THR 36 -3.797 -20.011 20.227 254 HG23 THR 36 HG23 THR 36 -3.552 -21.757 20.260 255 H TYC 37 HN ATY 37 -0.719 -16.957 19.641 256 HA TYC 37 HA ATY 37 1.592 -17.362 21.407 257 HB1 TYC 37 HB1 ATY 37 2.195 -14.973 20.700 258 HB2 TYC 37 HB2 ATY 37 0.984 -15.156 19.440 259 HD1 TYC 37 HD1 ATY 37 4.278 -16.119 20.582 260 HD2 TYC 37 HD2 ATY 37 1.346 -16.715 17.575 261 HE1 TYC 37 HE1 ATY 37 5.970 -17.156 19.164 262 HE2 TYC 37 HE2 ATY 37 3.023 -17.763 16.140 263 HH TYC 37 HH ATY 37 6.113 -18.697 17.316 264 HT21 TYC 37 HT21 ATY 37 -0.350 -14.486 20.839 265 HT22 TYC 37 HT22 ATY 37 -0.862 -14.296 22.483 Start of MODEL 8 1 H1 LYS 1 HT1 LYS 1 9.529 5.815 10.125 2 H2 LYS 1 HT2 LYS 1 10.212 7.265 9.593 3 H3 LYS 1 HT3 LYS 1 11.169 5.915 9.746 4 HA LYS 1 HA LYS 1 10.063 4.820 7.960 5 HB2 LYS 1 HB2 LYS 1 8.388 6.001 6.637 6 HB3 LYS 1 HB1 LYS 1 7.830 5.869 8.295 7 HG2 LYS 1 HG2 LYS 1 8.467 8.220 8.685 8 HG3 LYS 1 HG1 LYS 1 9.041 8.322 7.023 9 HD2 LYS 1 HD2 LYS 1 6.783 7.820 6.212 10 HD3 LYS 1 HD1 LYS 1 6.213 7.732 7.880 11 HE2 LYS 1 HE2 LYS 1 6.762 10.070 8.221 12 HE3 LYS 1 HE1 LYS 1 7.439 10.174 6.597 13 HZ1 LYS 1 HZ1 LYS 1 5.194 11.071 6.644 14 HZ2 LYS 1 HZ2 LYS 1 4.586 9.617 7.250 15 HZ3 LYS 1 HZ3 LYS 1 5.235 9.670 5.714 16 H CYS 2 HN CYS 2 10.482 5.487 5.623 17 HA CYS 2 HA CYS 2 12.410 7.656 5.529 18 HB2 CYS 2 HB2 CYS 2 13.596 6.195 3.829 19 HB3 CYS 2 HB1 CYS 2 13.768 5.691 5.524 20 H ASN 3 HN ASN 3 12.584 8.614 3.366 21 HA ASN 3 HA ASN 3 10.159 8.168 1.785 22 HB2 ASN 3 HB2 ASN 3 9.703 9.875 3.571 23 HB3 ASN 3 HB1 ASN 3 10.939 10.890 2.848 24 HD21 ASN 3 HD21 ASN 3 8.651 8.924 0.985 25 HD22 ASN 3 HD22 ASN 3 7.795 10.262 0.342 26 H THR 4 HN THR 4 13.180 7.934 1.456 27 HA THR 4 HA THR 4 13.470 9.805 -0.764 28 HB THR 4 HB THR 4 15.390 9.614 0.845 29 HG1 THR 4 HG1 THR 4 16.981 9.030 -0.893 30 HG21 THR 4 HG21 THR 4 15.629 6.819 -0.259 31 HG22 THR 4 HG22 THR 4 15.112 7.221 1.366 32 HG23 THR 4 HG23 THR 4 16.767 7.589 0.849 33 H ALA 5 HN ALA 5 14.456 8.871 -2.732 34 HA ALA 5 HA ALA 5 12.733 6.922 -3.851 35 HB1 ALA 5 HB1 ALA 5 14.024 7.198 -5.887 36 HB2 ALA 5 HB2 ALA 5 15.309 7.999 -4.989 37 HB3 ALA 5 HB3 ALA 5 13.731 8.770 -5.145 38 H THR 6 HN THR 6 15.673 6.700 -2.215 39 HA THR 6 HA THR 6 16.415 4.113 -3.230 40 HB THR 6 HB THR 6 17.460 5.780 -0.927 41 HG1 THR 6 HG1 THR 6 19.123 6.271 -2.437 42 HG21 THR 6 HG21 THR 6 18.722 3.411 -2.325 43 HG22 THR 6 HG22 THR 6 18.020 3.428 -0.702 44 HG23 THR 6 HG23 THR 6 19.465 4.380 -1.037 45 H CYS 7 HN CYS 7 14.130 5.236 -0.933 46 HA CYS 7 HA CYS 7 14.423 2.732 0.611 47 HB2 CYS 7 HB2 CYS 7 15.297 4.902 1.572 48 HB3 CYS 7 HB1 CYS 7 13.658 5.282 1.820 49 H ALA 8 HN ALA 8 12.255 5.417 -0.282 50 HA ALA 8 HA ALA 8 10.031 4.306 0.964 51 HB1 ALA 8 HB1 ALA 8 8.743 5.842 -0.522 52 HB2 ALA 8 HB2 ALA 8 10.269 6.238 -1.342 53 HB3 ALA 8 HB3 ALA 8 10.055 6.616 0.365 54 H THR 9 HN THR 9 11.725 3.752 -1.894 55 HA THR 9 HA THR 9 9.779 2.337 -3.417 56 HB THR 9 HB THR 9 11.879 1.438 -4.567 57 HG1 THR 9 HG1 THR 9 13.590 3.194 -3.876 58 HG21 THR 9 HG21 THR 9 10.542 3.374 -5.363 59 HG22 THR 9 HG22 THR 9 12.268 3.567 -5.682 60 HG23 THR 9 HG23 THR 9 11.522 4.426 -4.336 61 H GLN 10 HN GLN 10 11.956 1.547 -0.978 62 HA GLN 10 HA GLN 10 11.805 -1.326 -1.192 63 HB2 GLN 10 HB2 GLN 10 12.648 0.279 1.233 64 HB3 GLN 10 HB1 GLN 10 13.043 -1.405 0.893 65 HG2 GLN 10 HG2 GLN 10 14.008 1.021 -0.599 66 HG3 GLN 10 HG1 GLN 10 14.956 0.004 0.482 67 HE21 GLN 10 HE21 GLN 10 15.169 0.732 -2.338 68 HE22 GLN 10 HE22 GLN 10 15.334 -0.756 -3.207 69 H ARG 11 HN ARG 11 10.350 1.206 0.628 70 HA ARG 11 HA ARG 11 8.618 -0.392 2.257 71 HB2 ARG 11 HB2 ARG 11 7.952 2.382 1.231 72 HB3 ARG 11 HB1 ARG 11 7.342 1.620 2.687 73 HG2 ARG 11 HG2 ARG 11 10.132 2.644 2.200 74 HG3 ARG 11 HG1 ARG 11 8.918 3.339 3.274 75 HD2 ARG 11 HD2 ARG 11 10.304 0.690 3.541 76 HD3 ARG 11 HD1 ARG 11 10.592 2.135 4.507 77 HE ARG 11 HE ARG 11 7.866 1.313 4.652 78 HH11 ARG 11 HH11 ARG 11 11.057 0.571 5.985 79 HH12 ARG 11 HH12 ARG 11 10.449 -0.140 7.397 80 HH21 ARG 11 HH21 ARG 11 7.043 0.321 6.560 81 HH22 ARG 11 HH22 ARG 11 8.113 -0.284 7.744 82 H LEU 12 HN LEU 12 8.335 1.049 -0.936 83 HA LEU 12 HA LEU 12 5.763 0.262 -1.601 84 HB2 LEU 12 HB2 LEU 12 8.272 0.706 -3.057 85 HB3 LEU 12 HB1 LEU 12 6.923 0.257 -3.973 86 HG LEU 12 HG LEU 12 7.262 2.803 -2.364 87 HD11 LEU 12 HD11 LEU 12 6.796 2.306 -5.297 88 HD12 LEU 12 HD12 LEU 12 8.326 2.793 -4.575 89 HD13 LEU 12 HD13 LEU 12 6.939 3.878 -4.529 90 HD21 LEU 12 HD21 LEU 12 5.030 3.456 -3.113 91 HD22 LEU 12 HD22 LEU 12 4.963 2.032 -2.082 92 HD23 LEU 12 HD23 LEU 12 4.798 1.862 -3.829 93 H ALA 13 HN ALA 13 8.849 -1.405 -1.776 94 HA ALA 13 HA ALA 13 7.869 -3.626 -3.138 95 HB1 ALA 13 HB1 ALA 13 9.963 -4.759 -2.451 96 HB2 ALA 13 HB2 ALA 13 10.295 -3.428 -1.341 97 HB3 ALA 13 HB3 ALA 13 10.255 -3.137 -3.080 98 H ASN 14 HN ASN 14 8.064 -2.731 0.210 99 HA ASN 14 HA ASN 14 7.263 -5.323 1.221 100 HB2 ASN 14 HB2 ASN 14 7.500 -2.687 2.671 101 HB3 ASN 14 HB1 ASN 14 6.922 -4.179 3.413 102 HD21 ASN 14 HD21 ASN 14 9.547 -3.895 1.117 103 HD22 ASN 14 HD22 ASN 14 10.778 -4.386 2.216 104 H PHE 15 HN PHE 15 5.612 -2.978 -0.341 105 HA PHE 15 HA PHE 15 3.235 -3.073 1.264 106 HB2 PHE 15 HB2 PHE 15 3.258 -0.957 0.452 107 HB3 PHE 15 HB1 PHE 15 4.427 -1.368 -0.790 108 HD1 PHE 15 HD1 PHE 15 0.851 -1.144 0.042 109 HD2 PHE 15 HD2 PHE 15 3.730 -1.843 -3.000 110 HE1 PHE 15 HE1 PHE 15 -0.899 -0.919 -1.667 111 HE2 PHE 15 HE2 PHE 15 2.001 -1.628 -4.712 112 HZ PHE 15 HZ PHE 15 -0.323 -1.155 -4.052 113 H LEU 16 HN LEU 16 4.814 -4.674 -1.306 114 HA LEU 16 HA LEU 16 2.348 -5.994 -1.883 115 HB2 LEU 16 HB2 LEU 16 2.350 -5.324 -3.895 116 HB3 LEU 16 HB1 LEU 16 3.360 -4.091 -3.342 117 HG LEU 16 HG LEU 16 4.584 -6.516 -4.655 118 HD11 LEU 16 HD11 LEU 16 3.827 -3.867 -5.869 119 HD12 LEU 16 HD12 LEU 16 3.092 -5.428 -6.238 120 HD13 LEU 16 HD13 LEU 16 4.779 -5.123 -6.656 121 HD21 LEU 16 HD21 LEU 16 6.479 -4.988 -4.964 122 HD22 LEU 16 HD22 LEU 16 6.081 -5.197 -3.255 123 HD23 LEU 16 HD23 LEU 16 5.595 -3.731 -4.098 124 H VAL 17 HN VAL 17 4.823 -6.558 -0.303 125 HA VAL 17 HA VAL 17 6.356 -8.415 -1.811 126 HB VAL 17 HB VAL 17 7.375 -7.020 -0.087 127 HG11 VAL 17 HG11 VAL 17 7.157 -7.381 2.281 128 HG12 VAL 17 HG12 VAL 17 5.988 -8.658 1.995 129 HG13 VAL 17 HG13 VAL 17 5.581 -7.011 1.565 130 HG21 VAL 17 HG21 VAL 17 8.607 -8.948 -0.703 131 HG22 VAL 17 HG22 VAL 17 7.670 -9.966 0.384 132 HG23 VAL 17 HG23 VAL 17 8.755 -8.726 1.043 133 H HIS 18 HN HIS 18 4.450 -9.041 1.091 134 HA HIS 18 HA HIS 18 3.672 -11.609 -0.154 135 HB2 HIS 18 HB2 HIS 18 3.949 -11.015 2.821 136 HB3 HIS 18 HB1 HIS 18 3.316 -12.508 2.151 137 HD1 HIS 18 HD1 HIS 18 5.000 -14.333 1.963 138 HD2 HIS 18 HD2 HIS 18 6.648 -10.565 1.898 139 HE1 HIS 18 HE1 HIS 18 7.476 -14.724 1.994 140 HE2 HIS 18 HE2 HIS 18 8.471 -12.442 2.197 141 H SER 19 HN SER 19 2.851 -8.652 0.416 142 HA SER 19 HA SER 19 0.266 -8.825 1.547 143 HB2 SER 19 HB2 SER 19 1.645 -6.691 -0.035 144 HB3 SER 19 HB1 SER 19 0.124 -6.476 0.816 145 HG SER 19 HG SER 19 1.309 -5.983 2.417 146 H SER 20 HN SER 20 1.551 -9.663 -1.313 147 HA SER 20 HA SER 20 0.054 -8.888 -3.397 148 HB2 SER 20 HB2 SER 20 0.955 -11.714 -3.002 149 HB3 SER 20 HB1 SER 20 0.995 -10.724 -4.469 150 HG SER 20 HG SER 20 2.996 -10.414 -3.823 151 H ASN 21 HN ASN 21 -0.870 -11.088 -0.897 152 HA ASN 21 HA ASN 21 -3.049 -12.264 -2.306 153 HB2 ASN 21 HB2 ASN 21 -1.259 -13.020 -0.441 154 HB3 ASN 21 HB1 ASN 21 -2.701 -12.695 0.515 155 HD21 ASN 21 HD21 ASN 21 -1.415 -14.472 -2.104 156 HD22 ASN 21 HD22 ASN 21 -2.580 -15.713 -2.089 157 H ASN 22 HN ASN 22 -2.634 -9.408 -0.415 158 HA ASN 22 HA ASN 22 -5.331 -9.601 0.683 159 HB2 ASN 22 HB2 ASN 22 -2.788 -9.457 1.957 160 HB3 ASN 22 HB1 ASN 22 -3.905 -8.178 2.420 161 HD21 ASN 22 HD21 ASN 22 -4.977 -11.307 1.335 162 HD22 ASN 22 HD22 ASN 22 -5.484 -11.920 2.845 163 H PHE 23 HN PHE 23 -2.700 -7.660 -0.270 164 HA PHE 23 HA PHE 23 -3.589 -5.229 0.576 165 HB2 PHE 23 HB2 PHE 23 -1.633 -4.391 -0.455 166 HB3 PHE 23 HB1 PHE 23 -1.431 -6.090 -0.166 167 HD1 PHE 23 HD1 PHE 23 -2.362 -7.539 -2.004 168 HD2 PHE 23 HD2 PHE 23 -0.635 -3.778 -2.477 169 HE1 PHE 23 HE1 PHE 23 -1.650 -8.219 -4.200 170 HE2 PHE 23 HE2 PHE 23 0.118 -4.347 -4.739 171 HZ PHE 23 HZ PHE 23 -0.392 -6.591 -5.665 172 H GLY 24 HN GLY 24 -5.350 -4.507 0.231 173 HA2 GLY 24 HA2 GLY 24 -7.309 -3.743 -0.664 174 HA3 GLY 24 HA1 GLY 24 -6.566 -3.360 -2.148 175 H ALA 25 HN ALA 25 -6.801 -6.387 -0.501 176 HA ALA 25 HA ALA 25 -8.803 -7.348 -2.377 177 HB1 ALA 25 HB1 ALA 25 -7.952 -9.632 -1.783 178 HB2 ALA 25 HB2 ALA 25 -6.762 -8.867 -0.734 179 HB3 ALA 25 HB3 ALA 25 -6.685 -8.610 -2.473 180 H ILE 26 HN ILE 26 -7.528 -7.434 0.838 181 HA ILE 26 HA ILE 26 -10.047 -7.998 2.005 182 HB ILE 26 HB ILE 26 -8.229 -9.025 3.186 183 HG12 ILE 26 HG12 ILE 26 -8.791 -6.516 4.574 184 HG13 ILE 26 HG11 ILE 26 -9.937 -7.851 4.624 185 HG21 ILE 26 HG21 ILE 26 -6.914 -6.325 3.194 186 HG22 ILE 26 HG22 ILE 26 -6.388 -7.736 2.280 187 HG23 ILE 26 HG23 ILE 26 -6.284 -7.738 4.045 188 HD11 ILE 26 HD11 ILE 26 -8.648 -7.813 6.709 189 HD12 ILE 26 HD12 ILE 26 -7.136 -7.765 5.805 190 HD13 ILE 26 HD13 ILE 26 -8.142 -9.213 5.764 191 H LEU 27 HN LEU 27 -7.772 -5.331 1.656 192 HA LEU 27 HA LEU 27 -9.130 -3.383 3.063 193 HB2 LEU 27 HB2 LEU 27 -7.091 -2.617 2.553 194 HB3 LEU 27 HB1 LEU 27 -6.977 -3.599 1.130 195 HG LEU 27 HG LEU 27 -8.240 -1.808 -0.107 196 HD11 LEU 27 HD11 LEU 27 -9.330 -0.759 1.738 197 HD12 LEU 27 HD12 LEU 27 -8.335 0.354 0.782 198 HD13 LEU 27 HD13 LEU 27 -7.756 -0.205 2.368 199 HD21 LEU 27 HD21 LEU 27 -5.646 -1.015 1.183 200 HD22 LEU 27 HD22 LEU 27 -6.334 -0.296 -0.273 201 HD23 LEU 27 HD23 LEU 27 -5.841 -1.987 -0.273 202 H SER 28 HN SER 28 -9.295 -4.364 -0.277 203 HA SER 28 HA SER 28 -11.434 -2.581 -0.872 204 HB2 SER 28 HB2 SER 28 -9.964 -3.303 -2.670 205 HB3 SER 28 HB1 SER 28 -10.416 -4.980 -2.409 206 HG SER 28 HG SER 28 -12.346 -3.018 -3.084 207 H SER 29 HN SER 29 -11.166 -5.798 0.352 208 HA SER 29 HA SER 29 -12.549 -7.196 1.365 209 HB2 SER 29 HB2 SER 29 -14.618 -5.068 1.031 210 HB3 SER 29 HB1 SER 29 -14.763 -6.450 2.125 211 HG SER 29 HG SER 29 -12.434 -5.249 2.650 212 H THR 30 HN THR 30 -12.757 -6.413 -1.734 213 HA THR 30 HA THR 30 -15.104 -7.737 -2.556 214 HB THR 30 HB THR 30 -14.098 -6.092 -4.033 215 HG1 THR 30 HG1 THR 30 -15.106 -8.068 -4.990 216 HG21 THR 30 HG21 THR 30 -11.936 -6.467 -5.146 217 HG22 THR 30 HG22 THR 30 -11.699 -7.919 -4.169 218 HG23 THR 30 HG23 THR 30 -11.763 -6.337 -3.397 219 H ASN 31 HN ASN 31 -11.932 -8.778 -1.714 220 HA ASN 31 HA ASN 31 -12.424 -11.451 -2.778 221 HB2 ASN 31 HB2 ASN 31 -9.982 -10.224 -1.496 222 HB3 ASN 31 HB1 ASN 31 -10.078 -11.924 -1.950 223 HD21 ASN 31 HD21 ASN 31 -10.054 -12.461 -4.100 224 HD22 ASN 31 HD22 ASN 31 -9.597 -11.362 -5.348 225 H VAL 32 HN VAL 32 -13.237 -9.808 -0.192 226 HA VAL 32 HA VAL 32 -12.947 -11.963 1.779 227 HB VAL 32 HB VAL 32 -14.036 -9.128 2.054 228 HG11 VAL 32 HG11 VAL 32 -13.383 -11.099 4.246 229 HG12 VAL 32 HG12 VAL 32 -15.001 -10.619 3.745 230 HG13 VAL 32 HG13 VAL 32 -13.915 -9.433 4.468 231 HG21 VAL 32 HG21 VAL 32 -11.389 -10.262 2.913 232 HG22 VAL 32 HG22 VAL 32 -11.961 -8.615 3.208 233 HG23 VAL 32 HG23 VAL 32 -11.681 -9.179 1.555 234 H GLY 33 HN GLY 33 -15.023 -10.729 -0.551 235 HA2 GLY 33 HA2 GLY 33 -17.147 -11.343 -1.194 236 HA3 GLY 33 HA1 GLY 33 -17.226 -12.403 0.213 237 H SER 34 HN SER 34 -16.386 -9.053 0.479 238 HA SER 34 HA SER 34 -19.021 -8.525 1.651 239 HB2 SER 34 HB2 SER 34 -17.292 -8.957 3.398 240 HB3 SER 34 HB1 SER 34 -16.339 -7.629 2.754 241 HG SER 34 HG SER 34 -18.215 -6.283 3.202 242 H ASN 35 HN ASN 35 -17.721 -7.958 -1.023 243 HA ASN 35 HA ASN 35 -18.648 -5.390 -1.392 244 HB2 ASN 35 HB2 ASN 35 -16.536 -4.725 -0.292 245 HB3 ASN 35 HB1 ASN 35 -15.629 -5.693 -1.452 246 HD21 ASN 35 HD21 ASN 35 -17.509 -2.830 -0.978 247 HD22 ASN 35 HD22 ASN 35 -17.040 -2.059 -2.446 248 H THR 36 HN THR 36 -19.171 -5.326 -3.505 249 HA THR 36 HA THR 36 -18.262 -7.621 -5.084 250 HB THR 36 HB THR 36 -20.604 -5.881 -5.810 251 HG1 THR 36 HG1 THR 36 -20.419 -7.884 -3.777 252 HG21 THR 36 HG21 THR 36 -21.482 -8.037 -6.589 253 HG22 THR 36 HG22 THR 36 -20.060 -8.840 -5.916 254 HG23 THR 36 HG23 THR 36 -19.880 -7.738 -7.284 255 H TYC 37 HN ATY 37 -16.892 -4.876 -4.774 256 HA TYC 37 HA ATY 37 -16.851 -4.185 -7.618 257 HB1 TYC 37 HB1 ATY 37 -16.251 -1.867 -6.937 258 HB2 TYC 37 HB2 ATY 37 -16.450 -2.333 -5.252 259 HD1 TYC 37 HD1 ATY 37 -18.609 -2.501 -4.256 260 HD2 TYC 37 HD2 ATY 37 -18.243 -1.780 -8.427 261 HE1 TYC 37 HE1 ATY 37 -21.008 -1.963 -4.367 262 HE2 TYC 37 HE2 ATY 37 -20.634 -1.238 -8.549 263 HH TYC 37 HH ATY 37 -22.488 -0.670 -5.786 264 HT21 TYC 37 HT21 ATY 37 -14.768 -3.264 -4.941 265 HT22 TYC 37 HT22 ATY 37 -13.316 -3.915 -5.615 Start of MODEL 9 1 H1 LYS 1 HT1 LYS 1 10.230 7.323 9.621 2 H2 LYS 1 HT2 LYS 1 11.172 5.958 9.383 3 H3 LYS 1 HT3 LYS 1 9.574 5.769 9.882 4 HA LYS 1 HA LYS 1 9.857 5.224 7.591 5 HB2 LYS 1 HB2 LYS 1 8.458 7.892 7.926 6 HB3 LYS 1 HB1 LYS 1 8.271 6.820 6.555 7 HG2 LYS 1 HG2 LYS 1 7.326 5.107 8.043 8 HG3 LYS 1 HG1 LYS 1 7.459 6.238 9.393 9 HD2 LYS 1 HD2 LYS 1 5.998 7.806 8.196 10 HD3 LYS 1 HD1 LYS 1 5.852 6.645 6.878 11 HE2 LYS 1 HE2 LYS 1 4.856 5.027 8.427 12 HE3 LYS 1 HE1 LYS 1 4.972 6.213 9.728 13 HZ1 LYS 1 HZ1 LYS 1 3.368 6.508 7.244 14 HZ2 LYS 1 HZ2 LYS 1 3.464 7.657 8.481 15 HZ3 LYS 1 HZ3 LYS 1 2.765 6.164 8.770 16 H CYS 2 HN CYS 2 10.416 5.930 5.465 17 HA CYS 2 HA CYS 2 12.307 8.147 5.384 18 HB2 CYS 2 HB2 CYS 2 13.570 6.694 3.727 19 HB3 CYS 2 HB1 CYS 2 13.680 6.198 5.420 20 H ASN 3 HN ASN 3 12.581 8.926 3.088 21 HA ASN 3 HA ASN 3 10.047 8.604 1.623 22 HB2 ASN 3 HB2 ASN 3 9.758 11.026 1.433 23 HB3 ASN 3 HB1 ASN 3 9.767 10.531 3.120 24 HD21 ASN 3 HD21 ASN 3 11.479 11.169 4.434 25 HD22 ASN 3 HD22 ASN 3 12.619 12.364 3.963 26 H THR 4 HN THR 4 13.100 8.123 1.282 27 HA THR 4 HA THR 4 13.445 9.701 -1.140 28 HB THR 4 HB THR 4 15.337 9.759 0.433 29 HG1 THR 4 HG1 THR 4 16.382 9.896 -1.357 30 HG21 THR 4 HG21 THR 4 16.673 7.735 0.878 31 HG22 THR 4 HG22 THR 4 15.479 6.772 0.012 32 HG23 THR 4 HG23 THR 4 15.034 7.578 1.515 33 H ALA 5 HN ALA 5 14.267 8.620 -2.989 34 HA ALA 5 HA ALA 5 12.631 6.476 -3.780 35 HB1 ALA 5 HB1 ALA 5 13.791 6.617 -5.911 36 HB2 ALA 5 HB2 ALA 5 15.028 7.642 -5.182 37 HB3 ALA 5 HB3 ALA 5 13.368 8.225 -5.322 38 H THR 6 HN THR 6 15.709 6.611 -2.338 39 HA THR 6 HA THR 6 16.611 4.022 -3.128 40 HB THR 6 HB THR 6 17.365 5.681 -0.717 41 HG1 THR 6 HG1 THR 6 18.007 5.899 -3.421 42 HG21 THR 6 HG21 THR 6 18.862 3.511 -2.200 43 HG22 THR 6 HG22 THR 6 18.121 3.397 -0.605 44 HG23 THR 6 HG23 THR 6 19.502 4.471 -0.851 45 H CYS 7 HN CYS 7 14.251 5.141 -0.876 46 HA CYS 7 HA CYS 7 14.628 2.742 0.831 47 HB2 CYS 7 HB2 CYS 7 15.296 5.067 1.609 48 HB3 CYS 7 HB1 CYS 7 13.635 5.340 1.685 49 H ALA 8 HN ALA 8 12.336 5.328 -0.068 50 HA ALA 8 HA ALA 8 10.163 4.165 1.238 51 HB1 ALA 8 HB1 ALA 8 10.237 6.115 -1.049 52 HB2 ALA 8 HB2 ALA 8 10.247 6.498 0.678 53 HB3 ALA 8 HB3 ALA 8 8.823 5.743 -0.048 54 H THR 9 HN THR 9 11.675 3.682 -1.748 55 HA THR 9 HA THR 9 9.582 2.399 -3.222 56 HB THR 9 HB THR 9 11.530 1.446 -4.475 57 HG1 THR 9 HG1 THR 9 13.501 2.905 -3.769 58 HG21 THR 9 HG21 THR 9 10.386 3.500 -5.188 59 HG22 THR 9 HG22 THR 9 12.121 3.645 -5.471 60 HG23 THR 9 HG23 THR 9 11.384 4.448 -4.085 61 H GLN 10 HN GLN 10 11.914 1.434 -0.932 62 HA GLN 10 HA GLN 10 11.759 -1.416 -1.262 63 HB2 GLN 10 HB2 GLN 10 12.696 0.131 1.151 64 HB3 GLN 10 HB1 GLN 10 13.124 -1.528 0.738 65 HG2 GLN 10 HG2 GLN 10 13.893 0.970 -0.740 66 HG3 GLN 10 HG1 GLN 10 14.935 0.013 0.299 67 HE21 GLN 10 HE21 GLN 10 15.091 0.771 -2.470 68 HE22 GLN 10 HE22 GLN 10 15.340 -0.679 -3.362 69 H ARG 11 HN ARG 11 10.394 1.011 0.730 70 HA ARG 11 HA ARG 11 8.920 -0.756 2.487 71 HB2 ARG 11 HB2 ARG 11 8.065 2.063 1.892 72 HB3 ARG 11 HB1 ARG 11 7.920 1.176 3.398 73 HG2 ARG 11 HG2 ARG 11 10.466 2.280 2.220 74 HG3 ARG 11 HG1 ARG 11 9.580 2.961 3.573 75 HD2 ARG 11 HD2 ARG 11 10.876 0.241 3.502 76 HD3 ARG 11 HD1 ARG 11 11.576 1.694 4.215 77 HE ARG 11 HE ARG 11 9.087 1.323 5.378 78 HH11 ARG 11 HH11 ARG 11 12.197 -0.380 5.293 79 HH12 ARG 11 HH12 ARG 11 12.035 -1.076 6.831 80 HH21 ARG 11 HH21 ARG 11 8.851 0.380 7.503 81 HH22 ARG 11 HH22 ARG 11 10.079 -0.621 8.130 82 H LEU 12 HN LEU 12 8.249 1.074 -0.433 83 HA LEU 12 HA LEU 12 5.616 0.325 -0.888 84 HB2 LEU 12 HB2 LEU 12 7.954 1.042 -2.519 85 HB3 LEU 12 HB1 LEU 12 6.539 0.656 -3.376 86 HG LEU 12 HG LEU 12 6.940 2.955 -1.435 87 HD11 LEU 12 HD11 LEU 12 7.849 3.326 -3.661 88 HD12 LEU 12 HD12 LEU 12 6.453 4.355 -3.366 89 HD13 LEU 12 HD13 LEU 12 6.288 2.916 -4.372 90 HD21 LEU 12 HD21 LEU 12 4.637 3.636 -1.961 91 HD22 LEU 12 HD22 LEU 12 4.696 2.121 -1.076 92 HD23 LEU 12 HD23 LEU 12 4.390 2.116 -2.817 93 H ALA 13 HN ALA 13 8.682 -1.205 -1.536 94 HA ALA 13 HA ALA 13 7.704 -3.249 -3.132 95 HB1 ALA 13 HB1 ALA 13 9.852 -4.375 -2.734 96 HB2 ALA 13 HB2 ALA 13 10.189 -3.252 -1.421 97 HB3 ALA 13 HB3 ALA 13 10.087 -2.661 -3.074 98 H ASN 14 HN ASN 14 8.117 -2.865 0.324 99 HA ASN 14 HA ASN 14 7.418 -5.596 0.911 100 HB2 ASN 14 HB2 ASN 14 7.680 -3.229 2.747 101 HB3 ASN 14 HB1 ASN 14 7.172 -4.845 3.266 102 HD21 ASN 14 HD21 ASN 14 9.671 -4.164 0.907 103 HD22 ASN 14 HD22 ASN 14 10.970 -4.743 1.879 104 H PHE 15 HN PHE 15 5.637 -3.001 -0.081 105 HA PHE 15 HA PHE 15 3.372 -3.476 1.585 106 HB2 PHE 15 HB2 PHE 15 3.391 -1.229 1.165 107 HB3 PHE 15 HB1 PHE 15 4.413 -1.428 -0.243 108 HD1 PHE 15 HD1 PHE 15 0.947 -1.265 0.977 109 HD2 PHE 15 HD2 PHE 15 3.476 -1.588 -2.424 110 HE1 PHE 15 HE1 PHE 15 -0.959 -0.742 -0.492 111 HE2 PHE 15 HE2 PHE 15 1.614 -1.093 -3.894 112 HZ PHE 15 HZ PHE 15 -0.638 -0.649 -2.935 113 H LEU 16 HN LEU 16 4.821 -4.441 -1.373 114 HA LEU 16 HA LEU 16 2.376 -5.815 -2.011 115 HB2 LEU 16 HB2 LEU 16 2.193 -4.755 -3.838 116 HB3 LEU 16 HB1 LEU 16 3.205 -3.616 -3.131 117 HG LEU 16 HG LEU 16 4.367 -5.661 -5.032 118 HD11 LEU 16 HD11 LEU 16 2.754 -4.246 -6.201 119 HD12 LEU 16 HD12 LEU 16 4.405 -3.822 -6.661 120 HD13 LEU 16 HD13 LEU 16 3.518 -2.806 -5.531 121 HD21 LEU 16 HD21 LEU 16 5.393 -3.039 -3.979 122 HD22 LEU 16 HD22 LEU 16 6.254 -4.121 -5.084 123 HD23 LEU 16 HD23 LEU 16 5.919 -4.623 -3.422 124 H VAL 17 HN VAL 17 4.872 -6.632 -0.683 125 HA VAL 17 HA VAL 17 6.306 -8.204 -2.637 126 HB VAL 17 HB VAL 17 7.606 -7.039 -0.904 127 HG11 VAL 17 HG11 VAL 17 6.277 -8.824 1.084 128 HG12 VAL 17 HG12 VAL 17 6.015 -7.094 0.920 129 HG13 VAL 17 HG13 VAL 17 7.599 -7.709 1.428 130 HG21 VAL 17 HG21 VAL 17 8.594 -9.039 -1.813 131 HG22 VAL 17 HG22 VAL 17 7.764 -10.010 -0.572 132 HG23 VAL 17 HG23 VAL 17 8.992 -8.821 -0.102 133 H HIS 18 HN HIS 18 4.387 -8.769 0.206 134 HA HIS 18 HA HIS 18 3.266 -11.117 -0.897 135 HB2 HIS 18 HB2 HIS 18 3.770 -12.378 1.069 136 HB3 HIS 18 HB1 HIS 18 5.221 -12.202 0.070 137 HD1 HIS 18 HD1 HIS 18 6.155 -13.121 2.517 138 HD2 HIS 18 HD2 HIS 18 4.775 -9.225 2.406 139 HE1 HIS 18 HE1 HIS 18 7.183 -11.980 4.529 140 HE2 HIS 18 HE2 HIS 18 6.265 -9.618 4.453 141 H SER 19 HN SER 19 2.547 -8.507 -0.177 142 HA SER 19 HA SER 19 0.867 -8.769 2.253 143 HB2 SER 19 HB2 SER 19 1.906 -6.388 0.769 144 HB3 SER 19 HB1 SER 19 0.984 -6.335 2.265 145 HG SER 19 HG SER 19 3.427 -6.196 2.412 146 H SER 20 HN SER 20 0.766 -9.233 -0.793 147 HA SER 20 HA SER 20 -1.112 -7.454 -1.886 148 HB2 SER 20 HB2 SER 20 -0.250 -10.133 -2.907 149 HB3 SER 20 HB1 SER 20 -0.841 -8.751 -3.839 150 HG SER 20 HG SER 20 1.469 -9.007 -3.798 151 H ASN 21 HN ASN 21 -1.638 -9.923 0.224 152 HA ASN 21 HA ASN 21 -4.333 -10.451 -0.820 153 HB2 ASN 21 HB2 ASN 21 -2.419 -12.040 0.789 154 HB3 ASN 21 HB1 ASN 21 -4.146 -12.452 0.828 155 HD21 ASN 21 HD21 ASN 21 -1.855 -13.971 -0.059 156 HD22 ASN 21 HD22 ASN 21 -2.134 -14.369 -1.708 157 H ASN 22 HN ASN 22 -2.683 -8.653 1.545 158 HA ASN 22 HA ASN 22 -4.970 -8.849 3.346 159 HB2 ASN 22 HB2 ASN 22 -2.208 -9.432 3.833 160 HB3 ASN 22 HB1 ASN 22 -2.940 -8.254 4.925 161 HD21 ASN 22 HD21 ASN 22 -4.813 -10.689 3.316 162 HD22 ASN 22 HD22 ASN 22 -5.139 -11.655 4.679 163 H PHE 23 HN PHE 23 -2.355 -7.038 2.195 164 HA PHE 23 HA PHE 23 -2.251 -4.860 3.781 165 HB2 PHE 23 HB2 PHE 23 -0.896 -3.906 2.038 166 HB3 PHE 23 HB1 PHE 23 -0.781 -5.654 2.090 167 HD1 PHE 23 HD1 PHE 23 -0.167 -3.614 -0.168 168 HD2 PHE 23 HD2 PHE 23 -3.240 -6.340 0.660 169 HE1 PHE 23 HE1 PHE 23 -0.508 -3.858 -2.522 170 HE2 PHE 23 HE2 PHE 23 -3.663 -6.647 -1.708 171 HZ PHE 23 HZ PHE 23 -2.301 -5.371 -3.383 172 H GLY 24 HN GLY 24 -4.129 -4.208 4.357 173 HA2 GLY 24 HA2 GLY 24 -6.168 -3.061 4.384 174 HA3 GLY 24 HA1 GLY 24 -5.581 -2.084 3.079 175 H ALA 25 HN ALA 25 -6.037 -5.525 3.238 176 HA ALA 25 HA ALA 25 -8.066 -5.390 1.153 177 HB1 ALA 25 HB1 ALA 25 -6.108 -6.776 0.670 178 HB2 ALA 25 HB2 ALA 25 -7.549 -7.794 0.838 179 HB3 ALA 25 HB3 ALA 25 -6.376 -7.684 2.158 180 H ILE 26 HN ILE 26 -7.080 -6.915 4.060 181 HA ILE 26 HA ILE 26 -9.763 -7.383 4.823 182 HB ILE 26 HB ILE 26 -8.382 -9.246 5.296 183 HG12 ILE 26 HG12 ILE 26 -8.362 -7.689 7.791 184 HG13 ILE 26 HG11 ILE 26 -9.838 -8.462 7.223 185 HG21 ILE 26 HG21 ILE 26 -6.229 -9.047 6.555 186 HG22 ILE 26 HG22 ILE 26 -6.399 -7.282 6.388 187 HG23 ILE 26 HG23 ILE 26 -6.227 -8.284 4.964 188 HD11 ILE 26 HD11 ILE 26 -7.275 -9.811 8.114 189 HD12 ILE 26 HD12 ILE 26 -8.646 -10.665 7.398 190 HD13 ILE 26 HD13 ILE 26 -8.830 -9.841 8.943 191 H LEU 27 HN LEU 27 -6.943 -5.465 5.608 192 HA LEU 27 HA LEU 27 -7.799 -4.187 7.930 193 HB2 LEU 27 HB2 LEU 27 -5.617 -3.869 7.645 194 HB3 LEU 27 HB1 LEU 27 -5.726 -3.980 5.917 195 HG LEU 27 HG LEU 27 -6.342 -1.540 5.869 196 HD11 LEU 27 HD11 LEU 27 -5.897 -0.194 7.734 197 HD12 LEU 27 HD12 LEU 27 -5.583 -1.620 8.750 198 HD13 LEU 27 HD13 LEU 27 -7.210 -1.324 8.078 199 HD21 LEU 27 HD21 LEU 27 -4.106 -0.731 6.339 200 HD22 LEU 27 HD22 LEU 27 -4.095 -2.240 5.427 201 HD23 LEU 27 HD23 LEU 27 -3.726 -2.248 7.155 202 H SER 28 HN SER 28 -8.216 -3.449 4.599 203 HA SER 28 HA SER 28 -9.783 -1.110 5.296 204 HB2 SER 28 HB2 SER 28 -8.185 -0.850 3.437 205 HB3 SER 28 HB1 SER 28 -9.017 -2.104 2.532 206 HG SER 28 HG SER 28 -10.436 0.135 3.416 207 H SER 29 HN SER 29 -10.249 -4.280 5.021 208 HA SER 29 HA SER 29 -11.905 -5.766 4.816 209 HB2 SER 29 HB2 SER 29 -13.852 -3.512 5.003 210 HB3 SER 29 HB1 SER 29 -13.966 -5.165 5.626 211 HG SER 29 HG SER 29 -12.736 -2.963 6.705 212 H THR 30 HN THR 30 -11.136 -4.022 2.357 213 HA THR 30 HA THR 30 -13.385 -3.871 0.679 214 HB THR 30 HB THR 30 -11.439 -2.460 0.256 215 HG1 THR 30 HG1 THR 30 -11.105 -3.740 -2.076 216 HG21 THR 30 HG21 THR 30 -9.678 -3.982 0.978 217 HG22 THR 30 HG22 THR 30 -9.339 -3.354 -0.633 218 HG23 THR 30 HG23 THR 30 -9.956 -4.998 -0.438 219 H ASN 31 HN ASN 31 -11.250 -6.484 1.434 220 HA ASN 31 HA ASN 31 -12.423 -7.991 -0.785 221 HB2 ASN 31 HB2 ASN 31 -9.905 -8.501 0.775 222 HB3 ASN 31 HB1 ASN 31 -10.686 -9.813 -0.102 223 HD21 ASN 31 HD21 ASN 31 -8.885 -6.842 -0.392 224 HD22 ASN 31 HD22 ASN 31 -8.592 -6.989 -2.083 225 H VAL 32 HN VAL 32 -13.170 -7.363 2.186 226 HA VAL 32 HA VAL 32 -14.186 -10.041 2.793 227 HB VAL 32 HB VAL 32 -14.407 -7.536 4.503 228 HG11 VAL 32 HG11 VAL 32 -15.922 -9.314 5.135 229 HG12 VAL 32 HG12 VAL 32 -14.677 -9.106 6.367 230 HG13 VAL 32 HG13 VAL 32 -14.578 -10.453 5.233 231 HG21 VAL 32 HG21 VAL 32 -12.215 -9.610 4.615 232 HG22 VAL 32 HG22 VAL 32 -12.439 -8.297 5.769 233 HG23 VAL 32 HG23 VAL 32 -12.036 -7.940 4.088 234 H GLY 33 HN GLY 33 -14.938 -7.147 1.287 235 HA2 GLY 33 HA2 GLY 33 -16.887 -6.616 0.114 236 HA3 GLY 33 HA1 GLY 33 -17.752 -7.821 1.057 237 H SER 34 HN SER 34 -16.074 -6.245 3.232 238 HA SER 34 HA SER 34 -18.460 -4.929 4.208 239 HB2 SER 34 HB2 SER 34 -15.812 -5.224 5.548 240 HB3 SER 34 HB1 SER 34 -17.392 -4.913 6.267 241 HG SER 34 HG SER 34 -17.866 -7.003 4.976 242 H ASN 35 HN ASN 35 -16.285 -3.876 2.191 243 HA ASN 35 HA ASN 35 -15.812 -1.286 3.498 244 HB2 ASN 35 HB2 ASN 35 -13.919 -2.375 2.223 245 HB3 ASN 35 HB1 ASN 35 -14.881 -2.230 0.758 246 HD21 ASN 35 HD21 ASN 35 -13.005 -0.570 3.117 247 HD22 ASN 35 HD22 ASN 35 -12.872 0.932 2.273 248 H THR 36 HN THR 36 -17.553 -2.986 1.146 249 HA THR 36 HA THR 36 -18.919 -0.657 0.150 250 HB THR 36 HB THR 36 -19.336 -3.567 -0.523 251 HG1 THR 36 HG1 THR 36 -17.527 -1.641 -1.589 252 HG21 THR 36 HG21 THR 36 -20.198 -2.683 -2.610 253 HG22 THR 36 HG22 THR 36 -19.884 -1.034 -2.025 254 HG23 THR 36 HG23 THR 36 -21.089 -2.055 -1.212 255 H TYC 37 HN ATY 37 -19.375 -3.416 1.955 256 HA TYC 37 HA ATY 37 -22.107 -2.590 2.770 257 HB1 TYC 37 HB1 ATY 37 -22.607 -4.972 3.251 258 HB2 TYC 37 HB2 ATY 37 -21.002 -5.409 2.682 259 HD1 TYC 37 HD1 ATY 37 -24.344 -4.332 1.665 260 HD2 TYC 37 HD2 ATY 37 -20.459 -5.404 0.330 261 HE1 TYC 37 HE1 ATY 37 -25.202 -4.571 -0.627 262 HE2 TYC 37 HE2 ATY 37 -21.305 -5.643 -1.961 263 HH TYC 37 HH ATY 37 -24.388 -4.544 -2.893 264 HT21 TYC 37 HT21 ATY 37 -21.477 -1.397 4.529 265 HT22 TYC 37 HT22 ATY 37 -20.801 -2.087 5.954 Start of MODEL 10 1 H1 LYS 1 HT1 LYS 1 11.038 7.729 9.927 2 H2 LYS 1 HT2 LYS 1 12.356 6.698 9.913 3 H3 LYS 1 HT3 LYS 1 10.938 6.207 10.682 4 HA LYS 1 HA LYS 1 11.211 5.122 8.590 5 HB2 LYS 1 HB2 LYS 1 9.070 7.270 8.506 6 HB3 LYS 1 HB1 LYS 1 9.106 5.859 7.468 7 HG2 LYS 1 HG2 LYS 1 8.873 4.409 9.413 8 HG3 LYS 1 HG1 LYS 1 8.872 5.819 10.469 9 HD2 LYS 1 HD2 LYS 1 6.846 6.632 9.358 10 HD3 LYS 1 HD1 LYS 1 6.840 5.203 8.326 11 HE2 LYS 1 HE2 LYS 1 6.634 3.779 10.304 12 HE3 LYS 1 HE1 LYS 1 6.634 5.207 11.333 13 HZ1 LYS 1 HZ1 LYS 1 4.556 5.912 10.270 14 HZ2 LYS 1 HZ2 LYS 1 4.407 4.377 10.938 15 HZ3 LYS 1 HZ3 LYS 1 4.596 4.538 9.284 16 H CYS 2 HN CYS 2 10.843 5.640 6.087 17 HA CYS 2 HA CYS 2 12.510 7.952 5.445 18 HB2 CYS 2 HB2 CYS 2 13.505 6.543 3.633 19 HB3 CYS 2 HB1 CYS 2 13.979 6.068 5.274 20 H ASN 3 HN ASN 3 12.382 8.531 3.135 21 HA ASN 3 HA ASN 3 9.944 7.846 1.747 22 HB2 ASN 3 HB2 ASN 3 9.095 10.181 1.680 23 HB3 ASN 3 HB1 ASN 3 9.087 9.509 3.303 24 HD21 ASN 3 HD21 ASN 3 10.542 11.831 1.189 25 HD22 ASN 3 HD22 ASN 3 11.356 12.738 2.418 26 H THR 4 HN THR 4 12.859 7.829 1.379 27 HA THR 4 HA THR 4 13.224 9.747 -0.798 28 HB THR 4 HB THR 4 15.086 9.722 0.807 29 HG1 THR 4 HG1 THR 4 15.865 10.047 -1.168 30 HG21 THR 4 HG21 THR 4 14.770 7.457 1.711 31 HG22 THR 4 HG22 THR 4 16.440 7.739 1.219 32 HG23 THR 4 HG23 THR 4 15.366 6.792 0.190 33 H ALA 5 HN ALA 5 14.280 8.886 -2.715 34 HA ALA 5 HA ALA 5 12.677 6.899 -3.921 35 HB1 ALA 5 HB1 ALA 5 13.606 8.779 -5.161 36 HB2 ALA 5 HB2 ALA 5 14.087 7.245 -5.893 37 HB3 ALA 5 HB3 ALA 5 15.231 8.149 -4.905 38 H THR 6 HN THR 6 15.593 6.726 -2.199 39 HA THR 6 HA THR 6 16.337 4.159 -3.310 40 HB THR 6 HB THR 6 17.538 5.896 -1.156 41 HG1 THR 6 HG1 THR 6 18.123 5.452 -3.886 42 HG21 THR 6 HG21 THR 6 19.560 4.481 -1.365 43 HG22 THR 6 HG22 THR 6 18.676 3.410 -2.470 44 HG23 THR 6 HG23 THR 6 18.152 3.587 -0.789 45 H CYS 7 HN CYS 7 14.154 5.168 -0.968 46 HA CYS 7 HA CYS 7 14.592 2.727 0.648 47 HB2 CYS 7 HB2 CYS 7 15.385 4.951 1.547 48 HB3 CYS 7 HB1 CYS 7 13.738 5.313 1.738 49 H ALA 8 HN ALA 8 12.314 5.300 -0.304 50 HA ALA 8 HA ALA 8 10.116 4.132 0.968 51 HB1 ALA 8 HB1 ALA 8 8.781 5.652 -0.395 52 HB2 ALA 8 HB2 ALA 8 10.212 6.029 -1.368 53 HB3 ALA 8 HB3 ALA 8 10.162 6.462 0.347 54 H THR 9 HN THR 9 11.827 3.601 -1.875 55 HA THR 9 HA THR 9 9.873 2.236 -3.446 56 HB THR 9 HB THR 9 11.993 1.284 -4.497 57 HG1 THR 9 HG1 THR 9 13.847 2.657 -3.881 58 HG21 THR 9 HG21 THR 9 12.427 3.425 -5.646 59 HG22 THR 9 HG22 THR 9 11.555 4.275 -4.374 60 HG23 THR 9 HG23 THR 9 10.694 3.159 -5.437 61 H GLN 10 HN GLN 10 12.034 1.437 -0.991 62 HA GLN 10 HA GLN 10 11.888 -1.427 -1.169 63 HB2 GLN 10 HB2 GLN 10 12.672 0.199 1.251 64 HB3 GLN 10 HB1 GLN 10 13.155 -1.460 0.875 65 HG2 GLN 10 HG2 GLN 10 14.017 1.086 -0.466 66 HG3 GLN 10 HG1 GLN 10 15.009 0.029 0.529 67 HE21 GLN 10 HE21 GLN 10 15.325 0.999 -2.167 68 HE22 GLN 10 HE22 GLN 10 15.478 -0.375 -3.179 69 H ARG 11 HN ARG 11 10.427 1.155 0.601 70 HA ARG 11 HA ARG 11 8.715 -0.388 2.273 71 HB2 ARG 11 HB2 ARG 11 8.188 2.396 1.204 72 HB3 ARG 11 HB1 ARG 11 7.479 1.668 2.638 73 HG2 ARG 11 HG2 ARG 11 10.345 2.505 2.248 74 HG3 ARG 11 HG1 ARG 11 9.148 3.263 3.304 75 HD2 ARG 11 HD2 ARG 11 10.332 0.524 3.523 76 HD3 ARG 11 HD1 ARG 11 10.641 1.913 4.571 77 HE ARG 11 HE ARG 11 8.103 1.755 4.973 78 HH11 ARG 11 HH11 ARG 11 10.252 -1.055 4.668 79 HH12 ARG 11 HH12 ARG 11 9.274 -2.080 5.608 80 HH21 ARG 11 HH21 ARG 11 6.777 0.365 6.226 81 HH22 ARG 11 HH22 ARG 11 7.231 -1.251 6.543 82 H LEU 12 HN LEU 12 8.417 0.995 -0.933 83 HA LEU 12 HA LEU 12 5.832 0.216 -1.556 84 HB2 LEU 12 HB2 LEU 12 8.341 0.649 -3.032 85 HB3 LEU 12 HB1 LEU 12 6.990 0.180 -3.948 86 HG LEU 12 HG LEU 12 7.353 2.735 -2.361 87 HD11 LEU 12 HD11 LEU 12 8.345 2.695 -4.607 88 HD12 LEU 12 HD12 LEU 12 6.997 3.823 -4.502 89 HD13 LEU 12 HD13 LEU 12 6.774 2.257 -5.274 90 HD21 LEU 12 HD21 LEU 12 5.084 3.371 -3.112 91 HD22 LEU 12 HD22 LEU 12 5.086 2.054 -1.951 92 HD23 LEU 12 HD23 LEU 12 4.834 1.715 -3.666 93 H ALA 13 HN ALA 13 8.930 -1.425 -1.783 94 HA ALA 13 HA ALA 13 8.003 -3.683 -3.087 95 HB1 ALA 13 HB1 ALA 13 10.363 -3.459 -1.216 96 HB2 ALA 13 HB2 ALA 13 10.384 -3.122 -2.944 97 HB3 ALA 13 HB3 ALA 13 10.093 -4.763 -2.371 98 H ASN 14 HN ASN 14 8.114 -2.752 0.250 99 HA ASN 14 HA ASN 14 7.287 -5.330 1.287 100 HB2 ASN 14 HB2 ASN 14 7.519 -2.658 2.661 101 HB3 ASN 14 HB1 ASN 14 6.956 -4.144 3.430 102 HD21 ASN 14 HD21 ASN 14 9.570 -4.061 1.139 103 HD22 ASN 14 HD22 ASN 14 10.828 -4.407 2.269 104 H PHE 15 HN PHE 15 5.662 -2.915 -0.315 105 HA PHE 15 HA PHE 15 3.282 -3.061 1.302 106 HB2 PHE 15 HB2 PHE 15 3.309 -0.876 0.668 107 HB3 PHE 15 HB1 PHE 15 4.538 -1.188 -0.541 108 HD1 PHE 15 HD1 PHE 15 0.956 -0.778 0.094 109 HD2 PHE 15 HD2 PHE 15 3.912 -1.646 -2.837 110 HE1 PHE 15 HE1 PHE 15 -0.689 -0.368 -1.693 111 HE2 PHE 15 HE2 PHE 15 2.306 -1.257 -4.613 112 HZ PHE 15 HZ PHE 15 -0.023 -0.604 -4.057 113 H LEU 16 HN LEU 16 4.848 -4.423 -1.385 114 HA LEU 16 HA LEU 16 2.397 -5.744 -2.084 115 HB2 LEU 16 HB2 LEU 16 2.483 -4.987 -4.069 116 HB3 LEU 16 HB1 LEU 16 3.505 -3.790 -3.449 117 HG LEU 16 HG LEU 16 4.644 -6.209 -4.870 118 HD11 LEU 16 HD11 LEU 16 3.292 -4.883 -6.406 119 HD12 LEU 16 HD12 LEU 16 5.010 -4.679 -6.757 120 HD13 LEU 16 HD13 LEU 16 4.130 -3.420 -5.897 121 HD21 LEU 16 HD21 LEU 16 6.164 -5.094 -3.308 122 HD22 LEU 16 HD22 LEU 16 5.830 -3.554 -4.107 123 HD23 LEU 16 HD23 LEU 16 6.666 -4.840 -4.985 124 H VAL 17 HN VAL 17 4.610 -6.489 -0.345 125 HA VAL 17 HA VAL 17 6.180 -8.398 -1.829 126 HB VAL 17 HB VAL 17 7.279 -7.054 -0.062 127 HG11 VAL 17 HG11 VAL 17 6.920 -7.506 2.304 128 HG12 VAL 17 HG12 VAL 17 5.588 -8.582 1.871 129 HG13 VAL 17 HG13 VAL 17 5.467 -6.856 1.529 130 HG21 VAL 17 HG21 VAL 17 8.269 -9.174 -0.634 131 HG22 VAL 17 HG22 VAL 17 7.242 -9.975 0.574 132 HG23 VAL 17 HG23 VAL 17 8.469 -8.800 1.084 133 H HIS 18 HN HIS 18 3.781 -8.425 0.715 134 HA HIS 18 HA HIS 18 2.681 -10.863 -0.265 135 HB2 HIS 18 HB2 HIS 18 2.867 -11.999 1.685 136 HB3 HIS 18 HB1 HIS 18 4.523 -11.543 1.331 137 HD1 HIS 18 HD1 HIS 18 3.453 -12.451 4.199 138 HD2 HIS 18 HD2 HIS 18 3.939 -8.519 2.989 139 HE1 HIS 18 HE1 HIS 18 3.716 -11.135 6.305 140 HE2 HIS 18 HE2 HIS 18 4.291 -8.826 5.533 141 H SER 19 HN SER 19 2.155 -7.968 0.152 142 HA SER 19 HA SER 19 0.481 -7.830 2.563 143 HB2 SER 19 HB2 SER 19 1.534 -5.673 0.804 144 HB3 SER 19 HB1 SER 19 0.957 -5.508 2.458 145 HG SER 19 HG SER 19 3.257 -5.603 2.423 146 H SER 20 HN SER 20 0.193 -7.931 -0.753 147 HA SER 20 HA SER 20 -1.993 -6.212 -1.197 148 HB2 SER 20 HB2 SER 20 -1.203 -8.580 -2.874 149 HB3 SER 20 HB1 SER 20 -1.975 -7.078 -3.400 150 HG SER 20 HG SER 20 -0.059 -6.322 -3.661 151 H ASN 21 HN ASN 21 -2.190 -8.645 0.721 152 HA ASN 21 HA ASN 21 -4.936 -9.307 0.029 153 HB2 ASN 21 HB2 ASN 21 -2.683 -11.094 0.663 154 HB3 ASN 21 HB1 ASN 21 -4.311 -11.632 1.127 155 HD21 ASN 21 HD21 ASN 21 -2.067 -11.164 -1.460 156 HD22 ASN 21 HD22 ASN 21 -3.064 -11.776 -2.728 157 H ASN 22 HN ASN 22 -2.948 -7.821 2.234 158 HA ASN 22 HA ASN 22 -4.544 -8.581 4.540 159 HB2 ASN 22 HB2 ASN 22 -1.741 -8.999 4.054 160 HB3 ASN 22 HB1 ASN 22 -2.141 -8.130 5.536 161 HD21 ASN 22 HD21 ASN 22 -4.324 -10.368 4.090 162 HD22 ASN 22 HD22 ASN 22 -4.191 -11.643 5.189 163 H PHE 23 HN PHE 23 -2.304 -6.448 3.098 164 HA PHE 23 HA PHE 23 -1.922 -4.550 4.950 165 HB2 PHE 23 HB2 PHE 23 -1.100 -3.175 3.147 166 HB3 PHE 23 HB1 PHE 23 -0.792 -4.881 2.877 167 HD1 PHE 23 HD1 PHE 23 -0.732 -2.594 0.873 168 HD2 PHE 23 HD2 PHE 23 -3.582 -5.506 1.916 169 HE1 PHE 23 HE1 PHE 23 -1.580 -2.508 -1.391 170 HE2 PHE 23 HE2 PHE 23 -4.507 -5.463 -0.357 171 HZ PHE 23 HZ PHE 23 -3.510 -3.933 -2.057 172 H GLY 24 HN GLY 24 -3.408 -3.924 6.104 173 HA2 GLY 24 HA2 GLY 24 -5.262 -2.892 6.953 174 HA3 GLY 24 HA1 GLY 24 -5.292 -1.781 5.629 175 H ALA 25 HN ALA 25 -5.553 -5.239 5.477 176 HA ALA 25 HA ALA 25 -8.317 -5.025 4.650 177 HB1 ALA 25 HB1 ALA 25 -7.954 -7.381 3.908 178 HB2 ALA 25 HB2 ALA 25 -6.302 -7.268 4.518 179 HB3 ALA 25 HB3 ALA 25 -6.802 -6.253 3.166 180 H ILE 26 HN ILE 26 -6.026 -6.778 6.524 181 HA ILE 26 HA ILE 26 -7.987 -7.695 8.297 182 HB ILE 26 HB ILE 26 -6.298 -9.286 7.840 183 HG12 ILE 26 HG12 ILE 26 -5.542 -7.996 10.359 184 HG13 ILE 26 HG11 ILE 26 -6.974 -9.015 10.257 185 HG21 ILE 26 HG21 ILE 26 -4.320 -7.116 8.473 186 HG22 ILE 26 HG22 ILE 26 -4.586 -7.874 6.906 187 HG23 ILE 26 HG23 ILE 26 -3.863 -8.803 8.223 188 HD11 ILE 26 HD11 ILE 26 -4.078 -9.860 9.965 189 HD12 ILE 26 HD12 ILE 26 -5.457 -10.919 9.649 190 HD13 ILE 26 HD13 ILE 26 -5.188 -10.290 11.269 191 H LEU 27 HN LEU 27 -5.345 -5.374 8.202 192 HA LEU 27 HA LEU 27 -5.350 -4.562 10.865 193 HB2 LEU 27 HB2 LEU 27 -3.587 -3.464 9.980 194 HB3 LEU 27 HB1 LEU 27 -4.215 -3.752 8.381 195 HG LEU 27 HG LEU 27 -5.472 -1.588 8.531 196 HD11 LEU 27 HD11 LEU 27 -3.914 -1.153 11.061 197 HD12 LEU 27 HD12 LEU 27 -5.674 -1.351 10.880 198 HD13 LEU 27 HD13 LEU 27 -4.868 0.040 10.154 199 HD21 LEU 27 HD21 LEU 27 -3.334 -1.724 7.396 200 HD22 LEU 27 HD22 LEU 27 -2.494 -1.403 8.914 201 HD23 LEU 27 HD23 LEU 27 -3.528 -0.169 8.201 202 H SER 28 HN SER 28 -7.113 -3.428 8.112 203 HA SER 28 HA SER 28 -8.538 -1.607 9.744 204 HB2 SER 28 HB2 SER 28 -8.704 -2.309 6.888 205 HB3 SER 28 HB1 SER 28 -9.852 -1.171 7.609 206 HG SER 28 HG SER 28 -8.003 0.020 8.292 207 H SER 29 HN SER 29 -8.992 -4.843 8.955 208 HA SER 29 HA SER 29 -10.609 -6.394 9.343 209 HB2 SER 29 HB2 SER 29 -11.893 -4.204 11.020 210 HB3 SER 29 HB1 SER 29 -12.246 -5.927 11.126 211 HG SER 29 HG SER 29 -10.615 -4.767 12.600 212 H THR 30 HN THR 30 -10.755 -4.947 7.024 213 HA THR 30 HA THR 30 -13.378 -3.796 6.672 214 HB THR 30 HB THR 30 -11.278 -2.804 5.684 215 HG1 THR 30 HG1 THR 30 -12.907 -1.974 4.670 216 HG21 THR 30 HG21 THR 30 -11.503 -5.105 3.739 217 HG22 THR 30 HG22 THR 30 -10.258 -4.920 4.964 218 HG23 THR 30 HG23 THR 30 -10.357 -3.760 3.632 219 H ASN 31 HN ASN 31 -12.253 -6.970 6.549 220 HA ASN 31 HA ASN 31 -14.506 -7.738 4.866 221 HB2 ASN 31 HB2 ASN 31 -13.186 -9.285 3.515 222 HB3 ASN 31 HB1 ASN 31 -12.629 -7.633 3.299 223 HD21 ASN 31 HD21 ASN 31 -11.932 -10.733 4.502 224 HD22 ASN 31 HD22 ASN 31 -10.276 -10.439 4.854 225 H VAL 32 HN VAL 32 -14.385 -7.819 7.541 226 HA VAL 32 HA VAL 32 -13.718 -10.497 8.415 227 HB VAL 32 HB VAL 32 -15.444 -8.503 9.890 228 HG11 VAL 32 HG11 VAL 32 -15.581 -10.732 10.787 229 HG12 VAL 32 HG12 VAL 32 -14.668 -9.702 11.898 230 HG13 VAL 32 HG13 VAL 32 -13.825 -10.840 10.851 231 HG21 VAL 32 HG21 VAL 32 -12.454 -8.810 10.017 232 HG22 VAL 32 HG22 VAL 32 -13.443 -7.809 11.089 233 HG23 VAL 32 HG23 VAL 32 -13.354 -7.435 9.367 234 H GLY 33 HN GLY 33 -16.637 -8.702 7.550 235 HA2 GLY 33 HA2 GLY 33 -18.174 -10.521 6.443 236 HA3 GLY 33 HA1 GLY 33 -18.248 -11.089 8.102 237 H SER 34 HN SER 34 -18.183 -8.327 9.157 238 HA SER 34 HA SER 34 -21.012 -7.760 8.648 239 HB2 SER 34 HB2 SER 34 -19.155 -6.646 10.784 240 HB3 SER 34 HB1 SER 34 -20.896 -6.365 10.696 241 HG SER 34 HG SER 34 -20.858 -8.841 10.614 242 H ASN 35 HN ASN 35 -18.040 -5.912 9.125 243 HA ASN 35 HA ASN 35 -16.949 -4.379 7.907 244 HB2 ASN 35 HB2 ASN 35 -18.735 -5.211 5.646 245 HB3 ASN 35 HB1 ASN 35 -17.188 -4.375 5.507 246 HD21 ASN 35 HD21 ASN 35 -18.003 -6.821 4.293 247 HD22 ASN 35 HD22 ASN 35 -16.939 -8.059 4.831 248 H THR 36 HN THR 36 -19.593 -3.688 9.180 249 HA THR 36 HA THR 36 -20.276 -1.467 7.471 250 HB THR 36 HB THR 36 -22.214 -2.731 8.108 251 HG1 THR 36 HG1 THR 36 -22.409 -0.470 8.072 252 HG21 THR 36 HG21 THR 36 -21.467 -2.267 11.004 253 HG22 THR 36 HG22 THR 36 -21.395 -3.811 10.155 254 HG23 THR 36 HG23 THR 36 -22.953 -3.036 10.444 255 H TYC 37 HN ATY 37 -18.856 0.059 7.730 256 HA TYC 37 HA ATY 37 -18.361 1.051 10.454 257 HB1 TYC 37 HB1 ATY 37 -16.080 1.649 9.789 258 HB2 TYC 37 HB2 ATY 37 -16.379 1.055 8.160 259 HD1 TYC 37 HD1 ATY 37 -15.957 -1.169 7.607 260 HD2 TYC 37 HD2 ATY 37 -16.189 -0.069 11.707 261 HE1 TYC 37 HE1 ATY 37 -15.200 -3.410 8.247 262 HE2 TYC 37 HE2 ATY 37 -15.433 -2.316 12.357 263 HH TYC 37 HH ATY 37 -14.192 -4.511 10.026 264 HT21 TYC 37 HT21 ATY 37 -19.831 2.655 10.384 265 HT22 TYC 37 HT22 ATY 37 -19.770 3.997 9.305 Start of MODEL 11 1 H1 LYS 1 HT1 LYS 1 11.753 5.572 9.544 2 H2 LYS 1 HT2 LYS 1 10.240 5.762 10.270 3 H3 LYS 1 HT3 LYS 1 11.151 7.105 9.777 4 HA LYS 1 HA LYS 1 10.197 5.057 7.929 5 HB2 LYS 1 HB2 LYS 1 8.547 6.747 7.154 6 HB3 LYS 1 HB1 LYS 1 8.252 6.248 8.811 7 HG2 LYS 1 HG2 LYS 1 9.307 8.311 9.603 8 HG3 LYS 1 HG1 LYS 1 9.568 8.818 7.931 9 HD2 LYS 1 HD2 LYS 1 7.139 8.764 7.572 10 HD3 LYS 1 HD1 LYS 1 6.915 8.276 9.251 11 HE2 LYS 1 HE2 LYS 1 7.944 10.362 9.991 12 HE3 LYS 1 HE1 LYS 1 8.167 10.837 8.307 13 HZ1 LYS 1 HZ1 LYS 1 6.206 11.864 9.311 14 HZ2 LYS 1 HZ2 LYS 1 5.518 10.349 9.581 15 HZ3 LYS 1 HZ3 LYS 1 5.785 10.883 8.016 16 H CYS 2 HN CYS 2 10.418 5.846 5.665 17 HA CYS 2 HA CYS 2 12.398 7.932 5.383 18 HB2 CYS 2 HB2 CYS 2 13.623 6.457 3.726 19 HB3 CYS 2 HB1 CYS 2 13.818 6.027 5.426 20 H ASN 3 HN ASN 3 12.529 8.771 3.190 21 HA ASN 3 HA ASN 3 10.009 8.394 1.708 22 HB2 ASN 3 HB2 ASN 3 11.043 11.011 2.812 23 HB3 ASN 3 HB1 ASN 3 9.805 10.909 1.574 24 HD21 ASN 3 HD21 ASN 3 8.483 8.599 2.771 25 HD22 ASN 3 HD22 ASN 3 7.689 9.191 4.175 26 H THR 4 HN THR 4 13.024 8.045 1.393 27 HA THR 4 HA THR 4 13.416 9.743 -0.944 28 HB THR 4 HB THR 4 15.284 9.768 0.641 29 HG1 THR 4 HG1 THR 4 16.657 9.738 -0.941 30 HG21 THR 4 HG21 THR 4 14.864 7.565 1.662 31 HG22 THR 4 HG22 THR 4 16.552 7.757 1.181 32 HG23 THR 4 HG23 THR 4 15.447 6.798 0.187 33 H ALA 5 HN ALA 5 14.290 8.751 -2.822 34 HA ALA 5 HA ALA 5 12.672 6.662 -3.800 35 HB1 ALA 5 HB1 ALA 5 13.947 6.896 -5.858 36 HB2 ALA 5 HB2 ALA 5 15.152 7.860 -4.998 37 HB3 ALA 5 HB3 ALA 5 13.512 8.476 -5.202 38 H THR 6 HN THR 6 15.667 6.679 -2.230 39 HA THR 6 HA THR 6 16.521 4.111 -3.180 40 HB THR 6 HB THR 6 17.436 5.810 -0.860 41 HG1 THR 6 HG1 THR 6 17.892 5.842 -3.603 42 HG21 THR 6 HG21 THR 6 18.146 3.501 -0.674 43 HG22 THR 6 HG22 THR 6 19.534 4.538 -1.030 44 HG23 THR 6 HG23 THR 6 18.820 3.532 -2.305 45 H CYS 7 HN CYS 7 14.230 5.173 -0.855 46 HA CYS 7 HA CYS 7 14.611 2.710 0.755 47 HB2 CYS 7 HB2 CYS 7 15.361 5.013 1.632 48 HB3 CYS 7 HB1 CYS 7 13.706 5.274 1.806 49 H ALA 8 HN ALA 8 12.339 5.340 -0.076 50 HA ALA 8 HA ALA 8 10.131 4.143 1.165 51 HB1 ALA 8 HB1 ALA 8 10.301 6.163 -1.053 52 HB2 ALA 8 HB2 ALA 8 10.233 6.492 0.687 53 HB3 ALA 8 HB3 ALA 8 8.842 5.774 -0.132 54 H THR 9 HN THR 9 11.748 3.727 -1.762 55 HA THR 9 HA THR 9 9.703 2.450 -3.293 56 HB THR 9 HB THR 9 11.707 1.559 -4.575 57 HG1 THR 9 HG1 THR 9 13.521 3.200 -3.818 58 HG21 THR 9 HG21 THR 9 11.407 4.538 -4.138 59 HG22 THR 9 HG22 THR 9 10.462 3.562 -5.268 60 HG23 THR 9 HG23 THR 9 12.192 3.793 -5.528 61 H GLN 10 HN GLN 10 11.946 1.488 -0.987 62 HA GLN 10 HA GLN 10 11.773 -1.369 -1.317 63 HB2 GLN 10 HB2 GLN 10 12.651 0.156 1.145 64 HB3 GLN 10 HB1 GLN 10 13.046 -1.515 0.743 65 HG2 GLN 10 HG2 GLN 10 13.990 0.965 -0.665 66 HG3 GLN 10 HG1 GLN 10 14.942 -0.053 0.405 67 HE21 GLN 10 HE21 GLN 10 15.259 0.728 -2.326 68 HE22 GLN 10 HE22 GLN 10 15.459 -0.743 -3.243 69 H ARG 11 HN ARG 11 10.404 1.116 0.623 70 HA ARG 11 HA ARG 11 8.720 -0.511 2.277 71 HB2 ARG 11 HB2 ARG 11 8.112 2.313 1.386 72 HB3 ARG 11 HB1 ARG 11 7.480 1.492 2.806 73 HG2 ARG 11 HG2 ARG 11 10.291 2.449 2.338 74 HG3 ARG 11 HG1 ARG 11 9.126 3.059 3.518 75 HD2 ARG 11 HD2 ARG 11 10.447 0.373 3.440 76 HD3 ARG 11 HD1 ARG 11 10.750 1.671 4.596 77 HE ARG 11 HE ARG 11 8.198 1.274 5.057 78 HH11 ARG 11 HH11 ARG 11 10.780 -1.124 4.728 79 HH12 ARG 11 HH12 ARG 11 9.923 -2.351 5.553 80 HH21 ARG 11 HH21 ARG 11 7.047 -0.424 6.215 81 HH22 ARG 11 HH22 ARG 11 7.786 -1.940 6.420 82 H LEU 12 HN LEU 12 8.311 1.025 -0.824 83 HA LEU 12 HA LEU 12 5.695 0.290 -1.398 84 HB2 LEU 12 HB2 LEU 12 8.161 0.770 -2.936 85 HB3 LEU 12 HB1 LEU 12 6.762 0.399 -3.823 86 HG LEU 12 HG LEU 12 7.244 2.829 -2.078 87 HD11 LEU 12 HD11 LEU 12 8.180 2.934 -4.356 88 HD12 LEU 12 HD12 LEU 12 6.867 4.081 -4.124 89 HD13 LEU 12 HD13 LEU 12 6.579 2.580 -4.997 90 HD21 LEU 12 HD21 LEU 12 4.959 2.148 -1.675 91 HD22 LEU 12 HD22 LEU 12 4.676 1.985 -3.406 92 HD23 LEU 12 HD23 LEU 12 4.980 3.575 -2.709 93 H ALA 13 HN ALA 13 8.780 -1.351 -1.832 94 HA ALA 13 HA ALA 13 7.745 -3.548 -3.174 95 HB1 ALA 13 HB1 ALA 13 9.860 -4.684 -2.634 96 HB2 ALA 13 HB2 ALA 13 10.254 -3.395 -1.499 97 HB3 ALA 13 HB3 ALA 13 10.130 -3.043 -3.226 98 H ASN 14 HN ASN 14 8.057 -2.734 0.188 99 HA ASN 14 HA ASN 14 7.402 -5.377 1.157 100 HB2 ASN 14 HB2 ASN 14 7.566 -2.757 2.619 101 HB3 ASN 14 HB1 ASN 14 7.110 -4.306 3.345 102 HD21 ASN 14 HD21 ASN 14 9.508 -4.194 0.905 103 HD22 ASN 14 HD22 ASN 14 10.872 -4.471 1.928 104 H PHE 15 HN PHE 15 5.575 -2.997 -0.237 105 HA PHE 15 HA PHE 15 3.317 -3.303 1.498 106 HB2 PHE 15 HB2 PHE 15 3.165 -1.141 0.813 107 HB3 PHE 15 HB1 PHE 15 4.321 -1.419 -0.479 108 HD1 PHE 15 HD1 PHE 15 0.732 -1.525 0.421 109 HD2 PHE 15 HD2 PHE 15 3.601 -1.688 -2.717 110 HE1 PHE 15 HE1 PHE 15 -1.067 -1.285 -1.244 111 HE2 PHE 15 HE2 PHE 15 1.841 -1.462 -4.366 112 HZ PHE 15 HZ PHE 15 -0.520 -1.254 -3.643 113 H LEU 16 HN LEU 16 4.755 -4.406 -1.405 114 HA LEU 16 HA LEU 16 2.349 -5.890 -1.981 115 HB2 LEU 16 HB2 LEU 16 2.319 -5.071 -3.955 116 HB3 LEU 16 HB1 LEU 16 3.371 -3.898 -3.354 117 HG LEU 16 HG LEU 16 4.530 -6.285 -4.790 118 HD11 LEU 16 HD11 LEU 16 4.689 -4.820 -6.751 119 HD12 LEU 16 HD12 LEU 16 3.800 -3.567 -5.880 120 HD13 LEU 16 HD13 LEU 16 3.004 -5.086 -6.295 121 HD21 LEU 16 HD21 LEU 16 6.040 -5.007 -3.346 122 HD22 LEU 16 HD22 LEU 16 5.545 -3.525 -4.166 123 HD23 LEU 16 HD23 LEU 16 6.434 -4.764 -5.054 124 H VAL 17 HN VAL 17 5.128 -6.353 -0.642 125 HA VAL 17 HA VAL 17 6.395 -8.405 -2.083 126 HB VAL 17 HB VAL 17 7.605 -7.197 -0.337 127 HG11 VAL 17 HG11 VAL 17 5.852 -6.735 1.189 128 HG12 VAL 17 HG12 VAL 17 7.151 -7.568 2.061 129 HG13 VAL 17 HG13 VAL 17 5.684 -8.435 1.572 130 HG21 VAL 17 HG21 VAL 17 8.418 -9.426 -0.779 131 HG22 VAL 17 HG22 VAL 17 7.291 -10.069 0.447 132 HG23 VAL 17 HG23 VAL 17 8.604 -8.972 0.924 133 H HIS 18 HN HIS 18 4.167 -8.575 0.575 134 HA HIS 18 HA HIS 18 3.417 -11.251 -0.382 135 HB2 HIS 18 HB2 HIS 18 2.833 -10.011 2.346 136 HB3 HIS 18 HB1 HIS 18 2.313 -11.599 1.806 137 HD1 HIS 18 HD1 HIS 18 3.907 -13.537 2.182 138 HD2 HIS 18 HD2 HIS 18 5.676 -9.834 2.814 139 HE1 HIS 18 HE1 HIS 18 6.117 -14.020 3.230 140 HE2 HIS 18 HE2 HIS 18 7.211 -11.787 3.533 141 H SER 19 HN SER 19 2.600 -8.004 0.029 142 HA SER 19 HA SER 19 1.028 -6.648 -0.733 143 HB2 SER 19 HB2 SER 19 1.217 -8.296 -2.712 144 HB3 SER 19 HB1 SER 19 -0.325 -8.943 -2.124 145 HG SER 19 HG SER 19 -0.143 -7.033 -3.745 146 H SER 20 HN SER 20 0.788 -8.413 1.680 147 HA SER 20 HA SER 20 -1.928 -8.785 2.362 148 HB2 SER 20 HB2 SER 20 0.401 -8.171 4.141 149 HB3 SER 20 HB1 SER 20 -1.038 -9.107 4.557 150 HG SER 20 HG SER 20 -0.418 -10.656 3.052 151 H ASN 21 HN ASN 21 -0.450 -6.161 1.618 152 HA ASN 21 HA ASN 21 -1.525 -4.285 3.598 153 HB2 ASN 21 HB2 ASN 21 0.336 -3.961 1.270 154 HB3 ASN 21 HB1 ASN 21 -0.362 -2.551 2.083 155 HD21 ASN 21 HD21 ASN 21 1.937 -5.112 2.201 156 HD22 ASN 21 HD22 ASN 21 2.736 -4.609 3.643 157 H ASN 22 HN ASN 22 -2.341 -5.818 0.784 158 HA ASN 22 HA ASN 22 -4.505 -3.968 0.254 159 HB2 ASN 22 HB2 ASN 22 -2.408 -5.024 -1.431 160 HB3 ASN 22 HB1 ASN 22 -3.965 -5.325 -2.150 161 HD21 ASN 22 HD21 ASN 22 -3.241 -2.669 0.008 162 HD22 ASN 22 HD22 ASN 22 -3.391 -1.412 -1.110 163 H PHE 23 HN PHE 23 -3.216 -7.085 -0.163 164 HA PHE 23 HA PHE 23 -5.406 -8.705 -0.476 165 HB2 PHE 23 HB2 PHE 23 -2.739 -8.802 0.422 166 HB3 PHE 23 HB1 PHE 23 -3.496 -10.261 0.894 167 HD1 PHE 23 HD1 PHE 23 -3.566 -11.979 -0.838 168 HD2 PHE 23 HD2 PHE 23 -2.955 -7.934 -1.929 169 HE1 PHE 23 HE1 PHE 23 -3.146 -12.672 -3.161 170 HE2 PHE 23 HE2 PHE 23 -2.532 -8.560 -4.198 171 HZ PHE 23 HZ PHE 23 -2.625 -10.972 -4.871 172 H GLY 24 HN GLY 24 -6.968 -8.198 0.678 173 HA2 GLY 24 HA2 GLY 24 -8.464 -8.047 2.369 174 HA3 GLY 24 HA1 GLY 24 -7.659 -9.348 3.170 175 H ALA 25 HN ALA 25 -6.543 -6.141 2.341 176 HA ALA 25 HA ALA 25 -6.112 -5.605 5.169 177 HB1 ALA 25 HB1 ALA 25 -5.125 -4.213 2.666 178 HB2 ALA 25 HB2 ALA 25 -4.211 -5.322 3.657 179 HB3 ALA 25 HB3 ALA 25 -4.702 -3.756 4.320 180 H ILE 26 HN ILE 26 -7.039 -4.204 2.210 181 HA ILE 26 HA ILE 26 -8.797 -2.433 3.463 182 HB ILE 26 HB ILE 26 -7.536 -1.435 1.777 183 HG12 ILE 26 HG12 ILE 26 -10.018 -2.225 0.400 184 HG13 ILE 26 HG11 ILE 26 -10.022 -0.978 1.643 185 HG21 ILE 26 HG21 ILE 26 -7.440 -2.408 -0.578 186 HG22 ILE 26 HG22 ILE 26 -8.122 -3.878 0.178 187 HG23 ILE 26 HG23 ILE 26 -6.565 -3.277 0.688 188 HD11 ILE 26 HD11 ILE 26 -8.642 -0.893 -1.052 189 HD12 ILE 26 HD12 ILE 26 -8.461 0.345 0.190 190 HD13 ILE 26 HD13 ILE 26 -10.038 0.064 -0.554 191 H LEU 27 HN LEU 27 -8.812 -5.347 1.503 192 HA LEU 27 HA LEU 27 -11.524 -5.448 0.804 193 HB2 LEU 27 HB2 LEU 27 -10.581 -7.142 -0.377 194 HB3 LEU 27 HB1 LEU 27 -9.196 -7.117 0.680 195 HG LEU 27 HG LEU 27 -10.323 -8.788 2.159 196 HD11 LEU 27 HD11 LEU 27 -12.420 -8.928 0.022 197 HD12 LEU 27 HD12 LEU 27 -12.592 -8.336 1.694 198 HD13 LEU 27 HD13 LEU 27 -12.186 -10.027 1.400 199 HD21 LEU 27 HD21 LEU 27 -10.054 -10.693 0.659 200 HD22 LEU 27 HD22 LEU 27 -8.746 -9.526 0.490 201 HD23 LEU 27 HD23 LEU 27 -10.025 -9.598 -0.722 202 H SER 28 HN SER 28 -9.741 -6.643 3.476 203 HA SER 28 HA SER 28 -12.111 -7.707 4.704 204 HB2 SER 28 HB2 SER 28 -9.256 -7.696 5.506 205 HB3 SER 28 HB1 SER 28 -10.527 -8.477 6.463 206 HG SER 28 HG SER 28 -10.943 -9.771 4.590 207 H SER 29 HN SER 29 -10.376 -4.846 4.768 208 HA SER 29 HA SER 29 -10.458 -2.901 5.954 209 HB2 SER 29 HB2 SER 29 -13.031 -4.071 7.070 210 HB3 SER 29 HB1 SER 29 -12.588 -2.360 7.049 211 HG SER 29 HG SER 29 -13.903 -3.607 5.239 212 H THR 30 HN THR 30 -8.920 -4.938 6.916 213 HA THR 30 HA THR 30 -9.248 -5.648 9.625 214 HB THR 30 HB THR 30 -7.834 -6.856 7.911 215 HG1 THR 30 HG1 THR 30 -6.047 -7.181 9.451 216 HG21 THR 30 HG21 THR 30 -6.701 -4.879 6.979 217 HG22 THR 30 HG22 THR 30 -5.518 -6.069 7.538 218 HG23 THR 30 HG23 THR 30 -5.870 -4.630 8.502 219 H ASN 31 HN ASN 31 -8.033 -2.813 8.126 220 HA ASN 31 HA ASN 31 -6.755 -1.891 10.588 221 HB2 ASN 31 HB2 ASN 31 -5.716 -0.177 9.181 222 HB3 ASN 31 HB1 ASN 31 -5.352 -1.803 8.606 223 HD21 ASN 31 HD21 ASN 31 -7.089 1.078 8.042 224 HD22 ASN 31 HD22 ASN 31 -7.512 0.735 6.413 225 H VAL 32 HN VAL 32 -9.703 -1.951 9.611 226 HA VAL 32 HA VAL 32 -10.302 0.860 10.223 227 HB VAL 32 HB VAL 32 -12.149 -1.307 9.116 228 HG11 VAL 32 HG11 VAL 32 -13.692 0.505 8.558 229 HG12 VAL 32 HG12 VAL 32 -12.606 1.670 9.307 230 HG13 VAL 32 HG13 VAL 32 -13.391 0.440 10.296 231 HG21 VAL 32 HG21 VAL 32 -10.416 -0.773 7.517 232 HG22 VAL 32 HG22 VAL 32 -10.767 0.948 7.675 233 HG23 VAL 32 HG23 VAL 32 -11.966 -0.134 6.966 234 H GLY 33 HN GLY 33 -9.975 -2.112 11.669 235 HA2 GLY 33 HA2 GLY 33 -10.272 -2.545 13.941 236 HA3 GLY 33 HA1 GLY 33 -11.415 -1.215 14.025 237 H SER 34 HN SER 34 -12.261 -2.949 11.399 238 HA SER 34 HA SER 34 -13.899 -4.766 12.940 239 HB2 SER 34 HB2 SER 34 -14.973 -2.862 10.864 240 HB3 SER 34 HB1 SER 34 -15.900 -4.184 11.580 241 HG SER 34 HG SER 34 -14.882 -2.975 13.591 242 H ASN 35 HN ASN 35 -12.871 -6.492 12.327 243 HA ASN 35 HA ASN 35 -13.321 -7.412 9.609 244 HB2 ASN 35 HB2 ASN 35 -11.104 -6.432 9.482 245 HB3 ASN 35 HB1 ASN 35 -10.578 -7.363 10.882 246 HD21 ASN 35 HD21 ASN 35 -8.904 -8.279 9.735 247 HD22 ASN 35 HD22 ASN 35 -9.137 -9.505 8.555 248 H THR 36 HN THR 36 -12.356 -8.071 12.899 249 HA THR 36 HA THR 36 -12.527 -10.892 12.660 250 HB THR 36 HB THR 36 -12.595 -9.239 15.201 251 HG1 THR 36 HG1 THR 36 -10.308 -9.369 15.088 252 HG21 THR 36 HG21 THR 36 -11.411 -11.175 16.137 253 HG22 THR 36 HG22 THR 36 -11.478 -11.970 14.557 254 HG23 THR 36 HG23 THR 36 -12.968 -11.648 15.451 255 H TYC 37 HN ATY 37 -14.743 -10.372 11.591 256 HA TYC 37 HA ATY 37 -16.845 -10.921 13.565 257 HB1 TYC 37 HB1 ATY 37 -18.461 -9.808 11.941 258 HB2 TYC 37 HB2 ATY 37 -17.051 -9.185 11.094 259 HD1 TYC 37 HD1 ATY 37 -19.258 -8.748 13.896 260 HD2 TYC 37 HD2 ATY 37 -15.495 -7.623 12.278 261 HE1 TYC 37 HE1 ATY 37 -19.173 -6.847 15.437 262 HE2 TYC 37 HE2 ATY 37 -15.392 -5.733 13.803 263 HH TYC 37 HH ATY 37 -16.885 -4.319 15.166 264 HT21 TYC 37 HT21 ATY 37 -16.923 -10.890 10.047 265 HT22 TYC 37 HT22 ATY 37 -17.257 -12.572 9.862 Start of MODEL 12 1 H1 LYS 1 HT1 LYS 1 9.273 3.423 8.909 2 H2 LYS 1 HT2 LYS 1 10.716 4.318 9.090 3 H3 LYS 1 HT3 LYS 1 10.488 3.327 7.758 4 HA LYS 1 HA LYS 1 8.825 4.643 6.870 5 HB2 LYS 1 HB2 LYS 1 7.807 5.333 9.044 6 HB3 LYS 1 HB1 LYS 1 9.157 6.425 9.305 7 HG2 LYS 1 HG2 LYS 1 8.504 7.742 7.371 8 HG3 LYS 1 HG1 LYS 1 7.192 6.616 7.019 9 HD2 LYS 1 HD2 LYS 1 6.166 7.163 9.192 10 HD3 LYS 1 HD1 LYS 1 7.465 8.309 9.509 11 HE2 LYS 1 HE2 LYS 1 5.491 8.467 7.223 12 HE3 LYS 1 HE1 LYS 1 5.417 9.415 8.705 13 HZ1 LYS 1 HZ1 LYS 1 6.394 10.702 6.922 14 HZ2 LYS 1 HZ2 LYS 1 7.544 9.534 6.639 15 HZ3 LYS 1 HZ3 LYS 1 7.582 10.403 8.081 16 H CYS 2 HN CYS 2 9.657 5.737 5.226 17 HA CYS 2 HA CYS 2 11.728 7.668 5.590 18 HB2 CYS 2 HB2 CYS 2 13.220 6.481 3.915 19 HB3 CYS 2 HB1 CYS 2 13.160 5.778 5.535 20 H ASN 3 HN ASN 3 12.373 8.529 3.310 21 HA ASN 3 HA ASN 3 10.073 8.435 1.525 22 HB2 ASN 3 HB2 ASN 3 9.750 10.892 1.569 23 HB3 ASN 3 HB1 ASN 3 9.315 10.095 3.078 24 HD21 ASN 3 HD21 ASN 3 11.446 12.328 1.532 25 HD22 ASN 3 HD22 ASN 3 12.218 12.897 2.966 26 H THR 4 HN THR 4 13.063 7.984 1.448 27 HA THR 4 HA THR 4 13.629 9.820 -0.755 28 HB THR 4 HB THR 4 15.459 9.658 0.892 29 HG1 THR 4 HG1 THR 4 16.539 9.965 -0.835 30 HG21 THR 4 HG21 THR 4 14.970 7.401 1.712 31 HG22 THR 4 HG22 THR 4 16.669 7.581 1.270 32 HG23 THR 4 HG23 THR 4 15.553 6.729 0.191 33 H ALA 5 HN ALA 5 14.551 8.893 -2.686 34 HA ALA 5 HA ALA 5 12.810 7.003 -3.833 35 HB1 ALA 5 HB1 ALA 5 13.841 8.814 -5.113 36 HB2 ALA 5 HB2 ALA 5 14.187 7.245 -5.839 37 HB3 ALA 5 HB3 ALA 5 15.424 8.069 -4.891 38 H THR 6 HN THR 6 15.731 6.696 -2.161 39 HA THR 6 HA THR 6 16.403 4.104 -3.241 40 HB THR 6 HB THR 6 17.536 5.717 -0.957 41 HG1 THR 6 HG1 THR 6 17.807 5.764 -3.681 42 HG21 THR 6 HG21 THR 6 19.520 4.273 -1.187 43 HG22 THR 6 HG22 THR 6 18.658 3.303 -2.399 44 HG23 THR 6 HG23 THR 6 18.066 3.382 -0.732 45 H CYS 7 HN CYS 7 14.200 5.203 -0.925 46 HA CYS 7 HA CYS 7 14.495 2.735 0.688 47 HB2 CYS 7 HB2 CYS 7 15.302 4.928 1.628 48 HB3 CYS 7 HB1 CYS 7 13.668 5.360 1.688 49 H ALA 8 HN ALA 8 12.331 5.407 -0.272 50 HA ALA 8 HA ALA 8 10.004 4.401 0.841 51 HB1 ALA 8 HB1 ALA 8 10.371 6.090 -1.638 52 HB2 ALA 8 HB2 ALA 8 10.202 6.688 0.012 53 HB3 ALA 8 HB3 ALA 8 8.850 5.869 -0.772 54 H THR 9 HN THR 9 11.789 3.723 -1.898 55 HA THR 9 HA THR 9 9.827 2.314 -3.447 56 HB THR 9 HB THR 9 11.851 1.433 -4.626 57 HG1 THR 9 HG1 THR 9 13.721 2.911 -4.011 58 HG21 THR 9 HG21 THR 9 11.528 4.418 -4.307 59 HG22 THR 9 HG22 THR 9 10.594 3.395 -5.406 60 HG23 THR 9 HG23 THR 9 12.326 3.629 -5.664 61 H GLN 10 HN GLN 10 12.103 1.483 -1.047 62 HA GLN 10 HA GLN 10 11.997 -1.362 -1.408 63 HB2 GLN 10 HB2 GLN 10 12.900 0.106 1.073 64 HB3 GLN 10 HB1 GLN 10 13.360 -1.523 0.573 65 HG2 GLN 10 HG2 GLN 10 14.152 1.095 -0.662 66 HG3 GLN 10 HG1 GLN 10 15.183 -0.038 0.206 67 HE21 GLN 10 HE21 GLN 10 15.284 1.101 -2.429 68 HE22 GLN 10 HE22 GLN 10 15.398 -0.224 -3.553 69 H ARG 11 HN ARG 11 10.582 1.008 0.722 70 HA ARG 11 HA ARG 11 9.110 -0.945 2.124 71 HB2 ARG 11 HB2 ARG 11 7.895 0.883 3.218 72 HB3 ARG 11 HB1 ARG 11 9.653 1.126 3.221 73 HG2 ARG 11 HG2 ARG 11 8.698 3.247 2.872 74 HG3 ARG 11 HG1 ARG 11 9.334 2.675 1.332 75 HD2 ARG 11 HD2 ARG 11 7.182 3.669 0.902 76 HD3 ARG 11 HD1 ARG 11 7.140 1.901 0.734 77 HE ARG 11 HE ARG 11 6.384 2.353 3.284 78 HH11 ARG 11 HH11 ARG 11 5.180 3.531 0.183 79 HH12 ARG 11 HH12 ARG 11 3.543 3.487 0.621 80 HH21 ARG 11 HH21 ARG 11 4.084 2.366 3.932 81 HH22 ARG 11 HH22 ARG 11 2.908 2.802 2.795 82 H LEU 12 HN LEU 12 8.514 0.912 -0.730 83 HA LEU 12 HA LEU 12 5.835 0.299 -1.190 84 HB2 LEU 12 HB2 LEU 12 8.234 0.830 -2.790 85 HB3 LEU 12 HB1 LEU 12 6.878 0.369 -3.684 86 HG LEU 12 HG LEU 12 7.199 2.852 -1.984 87 HD11 LEU 12 HD11 LEU 12 6.737 4.007 -4.092 88 HD12 LEU 12 HD12 LEU 12 6.635 2.454 -4.915 89 HD13 LEU 12 HD13 LEU 12 8.161 2.981 -4.217 90 HD21 LEU 12 HD21 LEU 12 4.939 2.056 -1.594 91 HD22 LEU 12 HD22 LEU 12 4.689 1.858 -3.327 92 HD23 LEU 12 HD23 LEU 12 4.905 3.469 -2.648 93 H ALA 13 HN ALA 13 8.843 -1.376 -1.854 94 HA ALA 13 HA ALA 13 7.722 -3.477 -3.235 95 HB1 ALA 13 HB1 ALA 13 10.103 -2.968 -3.339 96 HB2 ALA 13 HB2 ALA 13 9.860 -4.644 -2.851 97 HB3 ALA 13 HB3 ALA 13 10.280 -3.426 -1.647 98 H ASN 14 HN ASN 14 8.172 -2.823 0.149 99 HA ASN 14 HA ASN 14 7.446 -5.488 1.026 100 HB2 ASN 14 HB2 ASN 14 7.843 -2.955 2.597 101 HB3 ASN 14 HB1 ASN 14 7.290 -4.466 3.320 102 HD21 ASN 14 HD21 ASN 14 9.721 -3.945 0.872 103 HD22 ASN 14 HD22 ASN 14 11.048 -4.583 1.770 104 H PHE 15 HN PHE 15 5.644 -2.954 -0.184 105 HA PHE 15 HA PHE 15 3.501 -3.259 1.701 106 HB2 PHE 15 HB2 PHE 15 3.341 -1.058 1.196 107 HB3 PHE 15 HB1 PHE 15 4.463 -1.228 -0.134 108 HD1 PHE 15 HD1 PHE 15 0.944 -1.043 0.847 109 HD2 PHE 15 HD2 PHE 15 3.655 -1.544 -2.391 110 HE1 PHE 15 HE1 PHE 15 -0.868 -0.551 -0.748 111 HE2 PHE 15 HE2 PHE 15 1.882 -1.068 -3.984 112 HZ PHE 15 HZ PHE 15 -0.407 -0.557 -3.172 113 H LEU 16 HN LEU 16 4.675 -4.514 -1.207 114 HA LEU 16 HA LEU 16 2.093 -5.707 -1.672 115 HB2 LEU 16 HB2 LEU 16 2.007 -4.833 -3.631 116 HB3 LEU 16 HB1 LEU 16 3.141 -3.743 -3.031 117 HG LEU 16 HG LEU 16 4.062 -6.099 -4.678 118 HD11 LEU 16 HD11 LEU 16 4.278 -4.480 -6.503 119 HD12 LEU 16 HD12 LEU 16 3.497 -3.254 -5.502 120 HD13 LEU 16 HD13 LEU 16 2.600 -4.684 -6.007 121 HD21 LEU 16 HD21 LEU 16 6.089 -4.739 -4.921 122 HD22 LEU 16 HD22 LEU 16 5.754 -5.091 -3.219 123 HD23 LEU 16 HD23 LEU 16 5.362 -3.505 -3.887 124 H VAL 17 HN VAL 17 4.734 -6.467 -0.412 125 HA VAL 17 HA VAL 17 6.035 -8.289 -2.166 126 HB VAL 17 HB VAL 17 7.207 -6.993 -0.446 127 HG11 VAL 17 HG11 VAL 17 6.081 -8.837 1.627 128 HG12 VAL 17 HG12 VAL 17 5.608 -7.188 1.371 129 HG13 VAL 17 HG13 VAL 17 7.266 -7.552 1.892 130 HG21 VAL 17 HG21 VAL 17 7.601 -9.960 -0.399 131 HG22 VAL 17 HG22 VAL 17 8.681 -8.814 0.410 132 HG23 VAL 17 HG23 VAL 17 8.467 -8.730 -1.338 133 H HIS 18 HN HIS 18 4.398 -8.963 0.871 134 HA HIS 18 HA HIS 18 3.479 -11.522 -0.262 135 HB2 HIS 18 HB2 HIS 18 4.101 -10.933 2.673 136 HB3 HIS 18 HB1 HIS 18 3.348 -12.379 2.046 137 HD1 HIS 18 HD1 HIS 18 4.974 -14.187 2.422 138 HD2 HIS 18 HD2 HIS 18 6.675 -10.752 0.950 139 HE1 HIS 18 HE1 HIS 18 7.403 -14.760 2.128 140 HE2 HIS 18 HE2 HIS 18 8.458 -12.553 1.579 141 H SER 19 HN SER 19 2.699 -8.593 0.149 142 HA SER 19 HA SER 19 0.247 -8.906 1.613 143 HB2 SER 19 HB2 SER 19 1.490 -6.536 0.323 144 HB3 SER 19 HB1 SER 19 -0.019 -6.516 1.205 145 HG SER 19 HG SER 19 1.196 -7.449 2.987 146 H SER 20 HN SER 20 1.033 -9.833 -1.074 147 HA SER 20 HA SER 20 -0.050 -8.457 -3.196 148 HB2 SER 20 HB2 SER 20 0.449 -11.417 -2.980 149 HB3 SER 20 HB1 SER 20 0.317 -10.472 -4.466 150 HG SER 20 HG SER 20 2.062 -9.197 -3.669 151 H ASN 21 HN ASN 21 -1.771 -10.012 -0.810 152 HA ASN 21 HA ASN 21 -4.116 -10.249 -2.524 153 HB2 ASN 21 HB2 ASN 21 -2.978 -11.937 -0.444 154 HB3 ASN 21 HB1 ASN 21 -4.754 -12.007 -0.644 155 HD21 ASN 21 HD21 ASN 21 -1.668 -12.888 -1.791 156 HD22 ASN 21 HD22 ASN 21 -2.145 -13.869 -3.117 157 H ASN 22 HN ASN 22 -2.826 -8.203 -0.344 158 HA ASN 22 HA ASN 22 -5.295 -7.804 1.124 159 HB2 ASN 22 HB2 ASN 22 -2.658 -8.443 2.051 160 HB3 ASN 22 HB1 ASN 22 -3.315 -6.972 2.743 161 HD21 ASN 22 HD21 ASN 22 -5.301 -9.584 1.616 162 HD22 ASN 22 HD22 ASN 22 -5.826 -10.154 3.137 163 H PHE 23 HN PHE 23 -2.312 -6.573 0.013 164 HA PHE 23 HA PHE 23 -2.454 -4.023 0.873 165 HB2 PHE 23 HB2 PHE 23 -0.600 -3.586 -0.514 166 HB3 PHE 23 HB1 PHE 23 -0.620 -5.296 -0.180 167 HD1 PHE 23 HD1 PHE 23 -0.277 -2.996 -2.769 168 HD2 PHE 23 HD2 PHE 23 -1.753 -6.699 -1.660 169 HE1 PHE 23 HE1 PHE 23 -0.082 -3.721 -5.120 170 HE2 PHE 23 HE2 PHE 23 -1.596 -7.540 -3.821 171 HZ PHE 23 HZ PHE 23 -0.748 -6.034 -5.721 172 H GLY 24 HN GLY 24 -3.958 -2.852 0.787 173 HA2 GLY 24 HA2 GLY 24 -5.656 -1.498 0.187 174 HA3 GLY 24 HA1 GLY 24 -5.054 -1.329 -1.428 175 H ALA 25 HN ALA 25 -5.945 -4.272 0.143 176 HA ALA 25 HA ALA 25 -8.391 -4.430 -1.424 177 HB1 ALA 25 HB1 ALA 25 -6.741 -6.523 -0.008 178 HB2 ALA 25 HB2 ALA 25 -6.828 -6.289 -1.750 179 HB3 ALA 25 HB3 ALA 25 -8.249 -6.871 -0.862 180 H ILE 26 HN ILE 26 -6.847 -4.983 1.611 181 HA ILE 26 HA ILE 26 -9.290 -4.817 3.001 182 HB ILE 26 HB ILE 26 -7.820 -6.433 3.916 183 HG12 ILE 26 HG12 ILE 26 -7.421 -3.995 5.494 184 HG13 ILE 26 HG11 ILE 26 -8.923 -4.910 5.588 185 HG21 ILE 26 HG21 ILE 26 -5.477 -5.877 4.628 186 HG22 ILE 26 HG22 ILE 26 -5.704 -4.313 3.805 187 HG23 ILE 26 HG23 ILE 26 -5.751 -5.803 2.885 188 HD11 ILE 26 HD11 ILE 26 -7.539 -5.445 7.531 189 HD12 ILE 26 HD12 ILE 26 -6.161 -5.797 6.486 190 HD13 ILE 26 HD13 ILE 26 -7.576 -6.849 6.464 191 H LEU 27 HN LEU 27 -6.324 -2.919 2.507 192 HA LEU 27 HA LEU 27 -6.871 -0.808 4.232 193 HB2 LEU 27 HB2 LEU 27 -4.766 -0.350 3.490 194 HB3 LEU 27 HB1 LEU 27 -5.040 -1.456 2.168 195 HG LEU 27 HG LEU 27 -5.856 0.411 0.759 196 HD11 LEU 27 HD11 LEU 27 -6.649 1.914 2.430 197 HD12 LEU 27 HD12 LEU 27 -5.477 2.659 1.343 198 HD13 LEU 27 HD13 LEU 27 -4.987 2.210 2.995 199 HD21 LEU 27 HD21 LEU 27 -3.115 0.797 1.939 200 HD22 LEU 27 HD22 LEU 27 -3.673 1.409 0.382 201 HD23 LEU 27 HD23 LEU 27 -3.549 -0.328 0.654 202 H SER 28 HN SER 28 -7.632 -1.282 0.893 203 HA SER 28 HA SER 28 -9.076 1.177 0.807 204 HB2 SER 28 HB2 SER 28 -8.770 -1.012 -1.180 205 HB3 SER 28 HB1 SER 28 -9.584 0.531 -1.515 206 HG SER 28 HG SER 28 -7.546 1.490 -0.789 207 H SER 29 HN SER 29 -9.752 -1.898 1.704 208 HA SER 29 HA SER 29 -11.527 -3.026 2.493 209 HB2 SER 29 HB2 SER 29 -11.840 -1.002 3.777 210 HB3 SER 29 HB1 SER 29 -12.838 -0.280 2.517 211 HG SER 29 HG SER 29 -13.662 -1.683 4.534 212 H THR 30 HN THR 30 -11.185 -2.564 -0.383 213 HA THR 30 HA THR 30 -13.856 -2.779 -1.440 214 HB THR 30 HB THR 30 -12.064 -1.516 -2.658 215 HG1 THR 30 HG1 THR 30 -13.056 -3.758 -4.113 216 HG21 THR 30 HG21 THR 30 -10.887 -4.264 -3.129 217 HG22 THR 30 HG22 THR 30 -10.158 -2.968 -2.182 218 HG23 THR 30 HG23 THR 30 -10.357 -2.780 -3.925 219 H ASN 31 HN ASN 31 -11.723 -4.815 0.079 220 HA ASN 31 HA ASN 31 -12.866 -7.133 -1.272 221 HB2 ASN 31 HB2 ASN 31 -10.393 -6.971 -1.416 222 HB3 ASN 31 HB1 ASN 31 -10.299 -6.900 0.335 223 HD21 ASN 31 HD21 ASN 31 -12.425 -9.004 -1.499 224 HD22 ASN 31 HD22 ASN 31 -11.668 -10.464 -1.013 225 H VAL 32 HN VAL 32 -13.548 -5.240 1.045 226 HA VAL 32 HA VAL 32 -13.975 -7.283 3.098 227 HB VAL 32 HB VAL 32 -14.199 -4.262 3.346 228 HG11 VAL 32 HG11 VAL 32 -14.190 -4.666 5.743 229 HG12 VAL 32 HG12 VAL 32 -14.154 -6.406 5.462 230 HG13 VAL 32 HG13 VAL 32 -15.563 -5.462 4.970 231 HG21 VAL 32 HG21 VAL 32 -11.990 -6.079 4.278 232 HG22 VAL 32 HG22 VAL 32 -12.072 -4.330 4.511 233 HG23 VAL 32 HG23 VAL 32 -11.905 -5.007 2.887 234 H GLY 33 HN GLY 33 -15.499 -5.500 0.639 235 HA2 GLY 33 HA2 GLY 33 -17.684 -5.560 -0.062 236 HA3 GLY 33 HA1 GLY 33 -18.106 -6.453 1.399 237 H SER 34 HN SER 34 -16.263 -3.653 1.768 238 HA SER 34 HA SER 34 -18.644 -2.280 2.829 239 HB2 SER 34 HB2 SER 34 -15.770 -1.961 3.722 240 HB3 SER 34 HB1 SER 34 -17.180 -1.175 4.437 241 HG SER 34 HG SER 34 -17.968 -3.423 4.661 242 H ASN 35 HN ASN 35 -15.578 -1.736 1.129 243 HA ASN 35 HA ASN 35 -16.735 0.750 0.072 244 HB2 ASN 35 HB2 ASN 35 -13.867 0.127 0.802 245 HB3 ASN 35 HB1 ASN 35 -14.299 1.449 -0.264 246 HD21 ASN 35 HD21 ASN 35 -15.209 3.288 0.594 247 HD22 ASN 35 HD22 ASN 35 -15.287 3.610 2.279 248 H THR 36 HN THR 36 -16.955 -1.963 -0.805 249 HA THR 36 HA THR 36 -15.240 -2.301 -3.052 250 HB THR 36 HB THR 36 -17.824 -3.743 -2.389 251 HG1 THR 36 HG1 THR 36 -15.745 -5.171 -1.690 252 HG21 THR 36 HG21 THR 36 -16.910 -4.155 -4.643 253 HG22 THR 36 HG22 THR 36 -16.763 -5.588 -3.614 254 HG23 THR 36 HG23 THR 36 -15.355 -4.566 -3.915 255 H TYC 37 HN ATY 37 -15.557 -0.356 -4.168 256 HA TYC 37 HA ATY 37 -16.335 1.057 -5.629 257 HB1 TYC 37 HB1 ATY 37 -17.731 0.264 -7.403 258 HB2 TYC 37 HB2 ATY 37 -18.147 -1.203 -6.505 259 HD1 TYC 37 HD1 ATY 37 -15.323 0.650 -8.048 260 HD2 TYC 37 HD2 ATY 37 -16.743 -3.097 -6.635 261 HE1 TYC 37 HE1 ATY 37 -13.330 -0.452 -8.978 262 HE2 TYC 37 HE2 ATY 37 -14.760 -4.204 -7.556 263 HH TYC 37 HH ATY 37 -13.086 -3.761 -9.377 264 HT21 TYC 37 HT21 ATY 37 -17.142 2.472 -4.214 265 HT22 TYC 37 HT22 ATY 37 -18.830 2.672 -3.916 Start of MODEL 13 1 H1 LYS 1 HT1 LYS 1 11.272 3.563 8.631 2 H2 LYS 1 HT2 LYS 1 9.763 3.413 9.326 3 H3 LYS 1 HT3 LYS 1 10.730 4.779 9.650 4 HA LYS 1 HA LYS 1 9.687 3.986 7.020 5 HB2 LYS 1 HB2 LYS 1 8.758 6.143 8.903 6 HB3 LYS 1 HB1 LYS 1 8.366 6.117 7.190 7 HG2 LYS 1 HG2 LYS 1 7.263 3.946 7.489 8 HG3 LYS 1 HG1 LYS 1 7.628 3.999 9.208 9 HD2 LYS 1 HD2 LYS 1 5.349 4.704 8.796 10 HD3 LYS 1 HD1 LYS 1 6.302 6.048 9.418 11 HE2 LYS 1 HE2 LYS 1 6.561 6.930 7.143 12 HE3 LYS 1 HE1 LYS 1 5.647 5.563 6.505 13 HZ1 LYS 1 HZ1 LYS 1 4.632 7.667 8.335 14 HZ2 LYS 1 HZ2 LYS 1 3.734 6.349 7.757 15 HZ3 LYS 1 HZ3 LYS 1 4.298 7.520 6.688 16 H CYS 2 HN CYS 2 9.988 5.516 5.377 17 HA CYS 2 HA CYS 2 11.994 7.533 5.672 18 HB2 CYS 2 HB2 CYS 2 13.354 6.369 3.859 19 HB3 CYS 2 HB1 CYS 2 13.475 5.680 5.488 20 H ASN 3 HN ASN 3 12.384 8.471 3.325 21 HA ASN 3 HA ASN 3 9.984 8.090 1.698 22 HB2 ASN 3 HB2 ASN 3 9.325 10.405 1.699 23 HB3 ASN 3 HB1 ASN 3 9.382 9.826 3.358 24 HD21 ASN 3 HD21 ASN 3 10.995 10.606 4.711 25 HD22 ASN 3 HD22 ASN 3 11.896 12.032 4.340 26 H THR 4 HN THR 4 13.021 7.912 1.472 27 HA THR 4 HA THR 4 13.381 9.771 -0.755 28 HB THR 4 HB THR 4 15.260 9.743 0.832 29 HG1 THR 4 HG1 THR 4 16.365 10.017 -0.909 30 HG21 THR 4 HG21 THR 4 16.608 7.727 1.194 31 HG22 THR 4 HG22 THR 4 15.466 6.798 0.223 32 HG23 THR 4 HG23 THR 4 14.950 7.497 1.759 33 H ALA 5 HN ALA 5 14.399 8.883 -2.691 34 HA ALA 5 HA ALA 5 12.782 6.854 -3.831 35 HB1 ALA 5 HB1 ALA 5 13.716 8.705 -5.134 36 HB2 ALA 5 HB2 ALA 5 14.152 7.143 -5.831 37 HB3 ALA 5 HB3 ALA 5 15.337 8.055 -4.894 38 H THR 6 HN THR 6 15.738 6.786 -2.160 39 HA THR 6 HA THR 6 16.626 4.249 -3.141 40 HB THR 6 HB THR 6 17.440 5.864 -0.721 41 HG1 THR 6 HG1 THR 6 18.389 5.860 -3.402 42 HG21 THR 6 HG21 THR 6 18.193 3.568 -0.638 43 HG22 THR 6 HG22 THR 6 19.576 4.636 -0.927 44 HG23 THR 6 HG23 THR 6 18.879 3.687 -2.255 45 H CYS 7 HN CYS 7 14.195 5.209 -0.947 46 HA CYS 7 HA CYS 7 14.547 2.735 0.636 47 HB2 CYS 7 HB2 CYS 7 15.324 4.911 1.593 48 HB3 CYS 7 HB1 CYS 7 13.675 5.310 1.722 49 H ALA 8 HN ALA 8 12.307 5.378 -0.221 50 HA ALA 8 HA ALA 8 10.069 4.160 0.924 51 HB1 ALA 8 HB1 ALA 8 10.226 6.160 -1.325 52 HB2 ALA 8 HB2 ALA 8 10.171 6.517 0.403 53 HB3 ALA 8 HB3 ALA 8 8.777 5.770 -0.383 54 H THR 9 HN THR 9 11.811 3.708 -1.933 55 HA THR 9 HA THR 9 9.844 2.378 -3.513 56 HB THR 9 HB THR 9 11.910 1.475 -4.663 57 HG1 THR 9 HG1 THR 9 13.667 3.213 -3.880 58 HG21 THR 9 HG21 THR 9 12.392 3.678 -5.693 59 HG22 THR 9 HG22 THR 9 11.562 4.465 -4.354 60 HG23 THR 9 HG23 THR 9 10.657 3.433 -5.465 61 H GLN 10 HN GLN 10 12.063 1.476 -1.116 62 HA GLN 10 HA GLN 10 11.887 -1.391 -1.373 63 HB2 GLN 10 HB2 GLN 10 12.712 0.184 1.077 64 HB3 GLN 10 HB1 GLN 10 13.133 -1.485 0.706 65 HG2 GLN 10 HG2 GLN 10 14.071 0.983 -0.728 66 HG3 GLN 10 HG1 GLN 10 15.015 -0.003 0.379 67 HE21 GLN 10 HE21 GLN 10 15.356 0.743 -2.387 68 HE22 GLN 10 HE22 GLN 10 15.599 -0.721 -3.262 69 H ARG 11 HN ARG 11 10.522 1.137 0.533 70 HA ARG 11 HA ARG 11 8.827 -0.454 2.183 71 HB2 ARG 11 HB2 ARG 11 8.212 2.358 1.272 72 HB3 ARG 11 HB1 ARG 11 7.612 1.555 2.710 73 HG2 ARG 11 HG2 ARG 11 10.400 2.538 2.178 74 HG3 ARG 11 HG1 ARG 11 9.267 3.161 3.368 75 HD2 ARG 11 HD2 ARG 11 10.694 0.530 3.322 76 HD3 ARG 11 HD1 ARG 11 10.905 1.854 4.469 77 HE ARG 11 HE ARG 11 8.433 1.296 5.013 78 HH11 ARG 11 HH11 ARG 11 11.013 -1.012 4.289 79 HH12 ARG 11 HH12 ARG 11 10.316 -2.309 5.140 80 HH21 ARG 11 HH21 ARG 11 7.449 -0.503 6.217 81 HH22 ARG 11 HH22 ARG 11 8.241 -2.007 6.273 82 H LEU 12 HN LEU 12 8.462 0.992 -0.977 83 HA LEU 12 HA LEU 12 5.813 0.309 -1.510 84 HB2 LEU 12 HB2 LEU 12 8.268 0.739 -3.043 85 HB3 LEU 12 HB1 LEU 12 6.936 0.268 -3.962 86 HG LEU 12 HG LEU 12 7.258 2.816 -2.353 87 HD11 LEU 12 HD11 LEU 12 6.910 3.922 -4.485 88 HD12 LEU 12 HD12 LEU 12 6.709 2.363 -5.274 89 HD13 LEU 12 HD13 LEU 12 8.267 2.806 -4.589 90 HD21 LEU 12 HD21 LEU 12 4.969 2.062 -1.985 91 HD22 LEU 12 HD22 LEU 12 4.753 1.831 -3.718 92 HD23 LEU 12 HD23 LEU 12 4.986 3.452 -3.068 93 H ALA 13 HN ALA 13 8.861 -1.396 -1.909 94 HA ALA 13 HA ALA 13 7.776 -3.596 -3.201 95 HB1 ALA 13 HB1 ALA 13 10.173 -3.127 -3.274 96 HB2 ALA 13 HB2 ALA 13 9.890 -4.763 -2.678 97 HB3 ALA 13 HB3 ALA 13 10.305 -3.472 -1.549 98 H ASN 14 HN ASN 14 8.203 -2.765 0.136 99 HA ASN 14 HA ASN 14 7.396 -5.338 1.231 100 HB2 ASN 14 HB2 ASN 14 7.700 -2.648 2.582 101 HB3 ASN 14 HB1 ASN 14 7.216 -4.134 3.391 102 HD21 ASN 14 HD21 ASN 14 9.636 -4.117 0.921 103 HD22 ASN 14 HD22 ASN 14 10.988 -4.428 1.943 104 H PHE 15 HN PHE 15 5.682 -2.951 -0.316 105 HA PHE 15 HA PHE 15 3.478 -2.978 1.510 106 HB2 PHE 15 HB2 PHE 15 3.460 -0.843 0.742 107 HB3 PHE 15 HB1 PHE 15 4.531 -1.257 -0.584 108 HD1 PHE 15 HD1 PHE 15 1.009 -0.964 0.468 109 HD2 PHE 15 HD2 PHE 15 3.667 -1.665 -2.770 110 HE1 PHE 15 HE1 PHE 15 -0.851 -0.670 -1.119 111 HE2 PHE 15 HE2 PHE 15 1.833 -1.378 -4.359 112 HZ PHE 15 HZ PHE 15 -0.445 -0.873 -3.535 113 H LEU 16 HN LEU 16 4.748 -4.537 -1.225 114 HA LEU 16 HA LEU 16 2.229 -5.813 -1.660 115 HB2 LEU 16 HB2 LEU 16 2.124 -5.136 -3.680 116 HB3 LEU 16 HB1 LEU 16 3.069 -3.849 -3.117 117 HG LEU 16 HG LEU 16 4.242 -6.145 -4.704 118 HD11 LEU 16 HD11 LEU 16 4.443 -4.531 -6.514 119 HD12 LEU 16 HD12 LEU 16 3.624 -3.320 -5.532 120 HD13 LEU 16 HD13 LEU 16 2.758 -4.765 -6.051 121 HD21 LEU 16 HD21 LEU 16 5.447 -3.515 -3.871 122 HD22 LEU 16 HD22 LEU 16 6.232 -4.752 -4.861 123 HD23 LEU 16 HD23 LEU 16 5.833 -5.084 -3.171 124 H VAL 17 HN VAL 17 4.544 -6.643 -0.158 125 HA VAL 17 HA VAL 17 6.153 -8.345 -1.854 126 HB VAL 17 HB VAL 17 7.270 -6.983 -0.152 127 HG11 VAL 17 HG11 VAL 17 7.098 -7.493 2.237 128 HG12 VAL 17 HG12 VAL 17 5.806 -8.642 1.869 129 HG13 VAL 17 HG13 VAL 17 5.564 -6.932 1.558 130 HG21 VAL 17 HG21 VAL 17 7.504 -9.928 0.395 131 HG22 VAL 17 HG22 VAL 17 8.674 -8.691 0.873 132 HG23 VAL 17 HG23 VAL 17 8.380 -9.013 -0.842 133 H HIS 18 HN HIS 18 3.866 -8.681 0.760 134 HA HIS 18 HA HIS 18 3.297 -11.355 -0.121 135 HB2 HIS 18 HB2 HIS 18 3.482 -12.280 1.961 136 HB3 HIS 18 HB1 HIS 18 5.060 -11.561 1.673 137 HD1 HIS 18 HD1 HIS 18 3.694 -12.398 4.506 138 HD2 HIS 18 HD2 HIS 18 4.050 -8.577 2.959 139 HE1 HIS 18 HE1 HIS 18 3.580 -10.871 6.488 140 HE2 HIS 18 HE2 HIS 18 4.019 -8.591 5.558 141 H SER 19 HN SER 19 2.150 -8.725 -0.165 142 HA SER 19 HA SER 19 0.233 -8.638 1.985 143 HB2 SER 19 HB2 SER 19 0.657 -6.682 -0.204 144 HB3 SER 19 HB1 SER 19 -0.004 -6.416 1.408 145 HG SER 19 HG SER 19 1.971 -5.934 1.969 146 H SER 20 HN SER 20 -1.474 -9.764 1.599 147 HA SER 20 HA SER 20 -2.818 -9.559 -0.963 148 HB2 SER 20 HB2 SER 20 -3.825 -11.753 -0.031 149 HB3 SER 20 HB1 SER 20 -2.205 -11.819 -0.770 150 HG SER 20 HG SER 20 -1.737 -12.693 1.098 151 H ASN 21 HN ASN 21 -2.869 -8.967 2.347 152 HA ASN 21 HA ASN 21 -5.762 -8.377 2.389 153 HB2 ASN 21 HB2 ASN 21 -3.976 -9.651 4.395 154 HB3 ASN 21 HB1 ASN 21 -5.565 -9.017 4.845 155 HD21 ASN 21 HD21 ASN 21 -3.792 -11.558 3.290 156 HD22 ASN 21 HD22 ASN 21 -5.115 -12.617 3.038 157 H ASN 22 HN ASN 22 -2.832 -6.949 2.300 158 HA ASN 22 HA ASN 22 -3.392 -5.173 4.556 159 HB2 ASN 22 HB2 ASN 22 -1.237 -6.920 3.990 160 HB3 ASN 22 HB1 ASN 22 -0.713 -5.270 4.238 161 HD21 ASN 22 HD21 ASN 22 -3.613 -6.656 5.646 162 HD22 ASN 22 HD22 ASN 22 -3.067 -6.718 7.260 163 H PHE 23 HN PHE 23 -2.760 -5.463 1.313 164 HA PHE 23 HA PHE 23 -0.861 -3.424 1.147 165 HB2 PHE 23 HB2 PHE 23 -0.843 -3.939 -1.254 166 HB3 PHE 23 HB1 PHE 23 -0.806 -5.347 -0.202 167 HD1 PHE 23 HD1 PHE 23 -2.696 -3.671 -2.742 168 HD2 PHE 23 HD2 PHE 23 -2.495 -6.706 0.112 169 HE1 PHE 23 HE1 PHE 23 -4.547 -4.825 -3.922 170 HE2 PHE 23 HE2 PHE 23 -4.323 -7.931 -1.001 171 HZ PHE 23 HZ PHE 23 -5.375 -6.970 -3.051 172 H GLY 24 HN GLY 24 -1.406 -1.634 1.682 173 HA2 GLY 24 HA2 GLY 24 -2.503 0.298 2.056 174 HA3 GLY 24 HA1 GLY 24 -3.100 0.319 0.447 175 H ALA 25 HN ALA 25 -3.623 -2.078 2.951 176 HA ALA 25 HA ALA 25 -6.445 -1.386 3.029 177 HB1 ALA 25 HB1 ALA 25 -5.947 -3.668 2.401 178 HB2 ALA 25 HB2 ALA 25 -6.704 -3.649 4.008 179 HB3 ALA 25 HB3 ALA 25 -4.954 -3.865 3.842 180 H ILE 26 HN ILE 26 -3.632 -2.218 4.837 181 HA ILE 26 HA ILE 26 -4.768 -1.048 7.145 182 HB ILE 26 HB ILE 26 -3.609 -3.077 7.654 183 HG12 ILE 26 HG12 ILE 26 -1.670 -0.931 8.119 184 HG13 ILE 26 HG11 ILE 26 -3.088 -1.072 9.146 185 HG21 ILE 26 HG21 ILE 26 -1.394 -1.911 6.029 186 HG22 ILE 26 HG22 ILE 26 -2.363 -3.329 5.612 187 HG23 ILE 26 HG23 ILE 26 -1.215 -3.401 6.964 188 HD11 ILE 26 HD11 ILE 26 -1.168 -2.041 10.301 189 HD12 ILE 26 HD12 ILE 26 -0.769 -3.019 8.890 190 HD13 ILE 26 HD13 ILE 26 -2.232 -3.361 9.814 191 H LEU 27 HN LEU 27 -2.270 -0.608 4.728 192 HA LEU 27 HA LEU 27 -0.987 1.627 5.766 193 HB2 LEU 27 HB2 LEU 27 0.236 0.937 4.014 194 HB3 LEU 27 HB1 LEU 27 -1.136 0.151 3.288 195 HG LEU 27 HG LEU 27 -1.774 2.374 2.279 196 HD11 LEU 27 HD11 LEU 27 -0.609 3.839 3.768 197 HD12 LEU 27 HD12 LEU 27 -0.194 4.067 2.065 198 HD13 LEU 27 HD13 LEU 27 0.954 3.243 3.145 199 HD21 LEU 27 HD21 LEU 27 -0.112 2.323 0.540 200 HD22 LEU 27 HD22 LEU 27 -0.671 0.709 0.981 201 HD23 LEU 27 HD23 LEU 27 0.910 1.282 1.535 202 H SER 28 HN SER 28 -3.716 1.200 3.641 203 HA SER 28 HA SER 28 -4.332 3.897 4.266 204 HB2 SER 28 HB2 SER 28 -5.204 2.449 1.781 205 HB3 SER 28 HB1 SER 28 -5.580 4.107 2.310 206 HG SER 28 HG SER 28 -3.383 4.576 2.254 207 H SER 29 HN SER 29 -5.136 2.729 6.122 208 HA SER 29 HA SER 29 -7.505 1.160 6.043 209 HB2 SER 29 HB2 SER 29 -6.399 2.763 8.359 210 HB3 SER 29 HB1 SER 29 -7.684 1.565 8.484 211 HG SER 29 HG SER 29 -4.942 1.197 7.920 212 H THR 30 HN THR 30 -7.094 4.260 5.284 213 HA THR 30 HA THR 30 -9.284 5.632 6.310 214 HB THR 30 HB THR 30 -8.746 7.143 4.396 215 HG1 THR 30 HG1 THR 30 -7.473 6.390 2.826 216 HG21 THR 30 HG21 THR 30 -6.467 5.939 5.905 217 HG22 THR 30 HG22 THR 30 -7.503 7.238 6.504 218 HG23 THR 30 HG23 THR 30 -6.397 7.531 5.137 219 H ASN 31 HN ASN 31 -8.841 3.388 3.721 220 HA ASN 31 HA ASN 31 -11.315 3.891 2.342 221 HB2 ASN 31 HB2 ASN 31 -9.510 1.461 2.275 222 HB3 ASN 31 HB1 ASN 31 -10.912 1.664 1.238 223 HD21 ASN 31 HD21 ASN 31 -7.649 2.590 1.854 224 HD22 ASN 31 HD22 ASN 31 -7.422 3.512 0.413 225 H VAL 32 HN VAL 32 -10.365 2.212 5.040 226 HA VAL 32 HA VAL 32 -12.697 0.465 5.233 227 HB VAL 32 HB VAL 32 -10.638 0.939 7.384 228 HG11 VAL 32 HG11 VAL 32 -12.219 -1.508 6.672 229 HG12 VAL 32 HG12 VAL 32 -12.530 -0.408 8.012 230 HG13 VAL 32 HG13 VAL 32 -11.058 -1.385 7.995 231 HG21 VAL 32 HG21 VAL 32 -9.216 -0.831 6.443 232 HG22 VAL 32 HG22 VAL 32 -9.354 0.569 5.382 233 HG23 VAL 32 HG23 VAL 32 -10.263 -0.901 5.019 234 H GLY 33 HN GLY 33 -11.855 3.627 5.862 235 HA2 GLY 33 HA2 GLY 33 -13.047 5.320 6.871 236 HA3 GLY 33 HA1 GLY 33 -14.145 4.113 7.540 237 H SER 34 HN SER 34 -10.833 3.467 7.963 238 HA SER 34 HA SER 34 -9.514 3.221 9.751 239 HB2 SER 34 HB2 SER 34 -10.899 5.734 10.706 240 HB3 SER 34 HB1 SER 34 -9.363 5.071 11.293 241 HG SER 34 HG SER 34 -9.945 6.502 9.010 242 H ASN 35 HN ASN 35 -12.121 2.128 9.663 243 HA ASN 35 HA ASN 35 -13.583 1.961 12.088 244 HB2 ASN 35 HB2 ASN 35 -14.265 1.158 9.760 245 HB3 ASN 35 HB1 ASN 35 -13.248 -0.240 10.039 246 HD21 ASN 35 HD21 ASN 35 -16.022 -0.224 9.467 247 HD22 ASN 35 HD22 ASN 35 -16.825 -0.932 10.825 248 H THR 36 HN THR 36 -10.804 0.297 10.884 249 HA THR 36 HA THR 36 -10.663 -1.742 12.851 250 HB THR 36 HB THR 36 -8.399 -1.890 11.507 251 HG1 THR 36 HG1 THR 36 -8.325 -0.229 10.194 252 HG21 THR 36 HG21 THR 36 -9.612 -3.148 9.766 253 HG22 THR 36 HG22 THR 36 -11.122 -2.389 10.282 254 HG23 THR 36 HG23 THR 36 -10.271 -3.485 11.368 255 H TYC 37 HN ATY 37 -10.662 0.866 13.997 256 HA TYC 37 HA ATY 37 -9.688 2.277 15.385 257 HB1 TYC 37 HB1 ATY 37 -8.019 1.412 16.881 258 HB2 TYC 37 HB2 ATY 37 -7.808 -0.037 15.903 259 HD1 TYC 37 HD1 ATY 37 -9.468 -1.813 15.959 260 HD2 TYC 37 HD2 ATY 37 -9.995 1.718 18.261 261 HE1 TYC 37 HE1 ATY 37 -11.209 -2.938 17.271 262 HE2 TYC 37 HE2 ATY 37 -11.739 0.604 19.582 263 HH TYC 37 HH ATY 37 -13.275 -1.236 19.385 264 HT21 TYC 37 HT21 ATY 37 -9.110 3.497 13.557 265 HT22 TYC 37 HT22 ATY 37 -7.439 3.789 13.201 Start of MODEL 14 1 H1 LYS 1 HT1 LYS 1 10.231 8.233 9.244 2 H2 LYS 1 HT2 LYS 1 11.248 7.038 9.823 3 H3 LYS 1 HT3 LYS 1 9.584 6.903 10.078 4 HA LYS 1 HA LYS 1 10.330 5.432 8.334 5 HB2 LYS 1 HB2 LYS 1 8.822 6.165 6.536 6 HB3 LYS 1 HB1 LYS 1 8.070 6.476 8.093 7 HG2 LYS 1 HG2 LYS 1 8.534 8.819 7.925 8 HG3 LYS 1 HG1 LYS 1 9.541 8.574 6.500 9 HD2 LYS 1 HD2 LYS 1 7.396 9.457 5.819 10 HD3 LYS 1 HD1 LYS 1 7.528 7.788 5.280 11 HE2 LYS 1 HE2 LYS 1 6.151 7.052 7.145 12 HE3 LYS 1 HE1 LYS 1 6.080 8.705 7.756 13 HZ1 LYS 1 HZ1 LYS 1 4.910 9.365 5.770 14 HZ2 LYS 1 HZ2 LYS 1 4.084 8.089 6.504 15 HZ3 LYS 1 HZ3 LYS 1 5.024 7.817 5.135 16 H CYS 2 HN CYS 2 10.703 5.824 5.741 17 HA CYS 2 HA CYS 2 12.723 7.885 5.450 18 HB2 CYS 2 HB2 CYS 2 13.825 6.337 3.790 19 HB3 CYS 2 HB1 CYS 2 13.986 5.841 5.483 20 H ASN 3 HN ASN 3 12.851 8.714 3.265 21 HA ASN 3 HA ASN 3 10.340 8.342 1.813 22 HB2 ASN 3 HB2 ASN 3 10.024 10.064 3.628 23 HB3 ASN 3 HB1 ASN 3 11.245 11.044 2.833 24 HD21 ASN 3 HD21 ASN 3 10.671 12.220 1.081 25 HD22 ASN 3 HD22 ASN 3 9.062 12.351 0.470 26 H THR 4 HN THR 4 13.306 8.004 1.425 27 HA THR 4 HA THR 4 13.637 9.772 -0.867 28 HB THR 4 HB THR 4 15.607 9.635 0.621 29 HG1 THR 4 HG1 THR 4 16.630 9.867 -1.192 30 HG21 THR 4 HG21 THR 4 15.663 6.696 -0.074 31 HG22 THR 4 HG22 THR 4 15.232 7.353 1.497 32 HG23 THR 4 HG23 THR 4 16.875 7.553 0.877 33 H ALA 5 HN ALA 5 14.448 8.771 -2.812 34 HA ALA 5 HA ALA 5 12.630 6.819 -3.775 35 HB1 ALA 5 HB1 ALA 5 13.516 8.605 -5.199 36 HB2 ALA 5 HB2 ALA 5 13.835 7.015 -5.895 37 HB3 ALA 5 HB3 ALA 5 15.126 7.896 -5.077 38 H THR 6 HN THR 6 15.665 6.625 -2.332 39 HA THR 6 HA THR 6 16.362 4.024 -3.326 40 HB THR 6 HB THR 6 17.437 5.688 -1.055 41 HG1 THR 6 HG1 THR 6 17.678 5.799 -3.786 42 HG21 THR 6 HG21 THR 6 18.075 3.365 -0.875 43 HG22 THR 6 HG22 THR 6 19.485 4.336 -1.326 44 HG23 THR 6 HG23 THR 6 18.651 3.347 -2.542 45 H CYS 7 HN CYS 7 14.163 5.142 -0.958 46 HA CYS 7 HA CYS 7 14.500 2.664 0.633 47 HB2 CYS 7 HB2 CYS 7 15.419 4.862 1.528 48 HB3 CYS 7 HB1 CYS 7 13.793 5.268 1.766 49 H ALA 8 HN ALA 8 12.344 5.397 -0.139 50 HA ALA 8 HA ALA 8 10.141 4.322 1.192 51 HB1 ALA 8 HB1 ALA 8 10.255 6.297 -1.077 52 HB2 ALA 8 HB2 ALA 8 10.354 6.675 0.639 53 HB3 ALA 8 HB3 ALA 8 8.858 6.017 -0.031 54 H THR 9 HN THR 9 11.652 3.772 -1.751 55 HA THR 9 HA THR 9 9.570 2.548 -3.270 56 HB THR 9 HB THR 9 11.600 1.532 -4.444 57 HG1 THR 9 HG1 THR 9 13.409 3.194 -3.790 58 HG21 THR 9 HG21 THR 9 10.340 3.482 -5.275 59 HG22 THR 9 HG22 THR 9 12.071 3.690 -5.552 60 HG23 THR 9 HG23 THR 9 11.286 4.531 -4.216 61 H GLN 10 HN GLN 10 11.767 1.575 -0.930 62 HA GLN 10 HA GLN 10 11.506 -1.269 -1.221 63 HB2 GLN 10 HB2 GLN 10 12.537 0.221 1.196 64 HB3 GLN 10 HB1 GLN 10 12.874 -1.452 0.755 65 HG2 GLN 10 HG2 GLN 10 13.797 1.034 -0.657 66 HG3 GLN 10 HG1 GLN 10 14.785 -0.089 0.272 67 HE21 GLN 10 HE21 GLN 10 14.830 0.849 -2.495 68 HE22 GLN 10 HE22 GLN 10 14.888 -0.575 -3.473 69 H ARG 11 HN ARG 11 10.106 1.274 0.610 70 HA ARG 11 HA ARG 11 8.440 -0.355 2.322 71 HB2 ARG 11 HB2 ARG 11 7.781 2.419 1.314 72 HB3 ARG 11 HB1 ARG 11 7.160 1.631 2.755 73 HG2 ARG 11 HG2 ARG 11 9.973 2.617 2.310 74 HG3 ARG 11 HG1 ARG 11 8.774 3.306 3.408 75 HD2 ARG 11 HD2 ARG 11 10.051 0.596 3.561 76 HD3 ARG 11 HD1 ARG 11 10.390 1.975 4.605 77 HE ARG 11 HE ARG 11 7.815 1.696 5.053 78 HH11 ARG 11 HH11 ARG 11 10.270 -0.845 4.867 79 HH12 ARG 11 HH12 ARG 11 9.465 -1.896 5.927 80 HH21 ARG 11 HH21 ARG 11 6.717 0.290 6.458 81 HH22 ARG 11 HH22 ARG 11 7.328 -1.245 6.873 82 H LEU 12 HN LEU 12 8.078 1.114 -0.802 83 HA LEU 12 HA LEU 12 5.533 0.207 -1.439 84 HB2 LEU 12 HB2 LEU 12 8.010 0.799 -2.920 85 HB3 LEU 12 HB1 LEU 12 6.628 0.401 -3.828 86 HG LEU 12 HG LEU 12 7.100 2.816 -2.084 87 HD11 LEU 12 HD11 LEU 12 6.369 2.547 -4.985 88 HD12 LEU 12 HD12 LEU 12 7.971 2.924 -4.361 89 HD13 LEU 12 HD13 LEU 12 6.641 4.060 -4.125 90 HD21 LEU 12 HD21 LEU 12 4.831 2.131 -1.593 91 HD22 LEU 12 HD22 LEU 12 4.481 1.952 -3.307 92 HD23 LEU 12 HD23 LEU 12 4.795 3.553 -2.634 93 H ALA 13 HN ALA 13 8.722 -1.236 -1.687 94 HA ALA 13 HA ALA 13 7.953 -3.525 -3.065 95 HB1 ALA 13 HB1 ALA 13 10.132 -4.446 -2.427 96 HB2 ALA 13 HB2 ALA 13 10.310 -3.193 -1.209 97 HB3 ALA 13 HB3 ALA 13 10.287 -2.759 -2.920 98 H ASN 14 HN ASN 14 7.856 -2.651 0.289 99 HA ASN 14 HA ASN 14 7.251 -5.326 1.217 100 HB2 ASN 14 HB2 ASN 14 7.189 -2.673 2.657 101 HB3 ASN 14 HB1 ASN 14 6.640 -4.190 3.376 102 HD21 ASN 14 HD21 ASN 14 9.357 -3.957 1.248 103 HD22 ASN 14 HD22 ASN 14 10.548 -4.295 2.454 104 H PHE 15 HN PHE 15 5.507 -2.977 -0.386 105 HA PHE 15 HA PHE 15 3.068 -3.371 1.048 106 HB2 PHE 15 HB2 PHE 15 3.013 -1.197 0.363 107 HB3 PHE 15 HB1 PHE 15 4.251 -1.487 -0.849 108 HD1 PHE 15 HD1 PHE 15 3.653 -2.021 -3.111 109 HD2 PHE 15 HD2 PHE 15 0.640 -1.353 -0.189 110 HE1 PHE 15 HE1 PHE 15 2.020 -1.847 -4.881 111 HE2 PHE 15 HE2 PHE 15 -1.047 -1.161 -1.975 112 HZ PHE 15 HZ PHE 15 -0.370 -1.408 -4.333 113 H LEU 16 HN LEU 16 4.904 -4.729 -1.475 114 HA LEU 16 HA LEU 16 2.581 -6.230 -2.258 115 HB2 LEU 16 HB2 LEU 16 2.747 -5.537 -4.271 116 HB3 LEU 16 HB1 LEU 16 3.586 -4.249 -3.599 117 HG LEU 16 HG LEU 16 5.180 -6.533 -4.751 118 HD11 LEU 16 HD11 LEU 16 3.783 -5.612 -6.524 119 HD12 LEU 16 HD12 LEU 16 5.468 -5.136 -6.743 120 HD13 LEU 16 HD13 LEU 16 4.301 -3.982 -6.095 121 HD21 LEU 16 HD21 LEU 16 6.932 -4.843 -4.829 122 HD22 LEU 16 HD22 LEU 16 6.290 -5.035 -3.188 123 HD23 LEU 16 HD23 LEU 16 5.796 -3.655 -4.175 124 H VAL 17 HN VAL 17 4.759 -6.794 -0.404 125 HA VAL 17 HA VAL 17 6.563 -8.589 -1.803 126 HB VAL 17 HB VAL 17 7.505 -7.095 -0.097 127 HG11 VAL 17 HG11 VAL 17 7.103 -7.415 2.283 128 HG12 VAL 17 HG12 VAL 17 5.890 -8.642 1.898 129 HG13 VAL 17 HG13 VAL 17 5.618 -6.974 1.431 130 HG21 VAL 17 HG21 VAL 17 8.682 -9.149 -0.523 131 HG22 VAL 17 HG22 VAL 17 7.686 -9.983 0.687 132 HG23 VAL 17 HG23 VAL 17 8.795 -8.694 1.183 133 H HIS 18 HN HIS 18 4.044 -8.781 0.596 134 HA HIS 18 HA HIS 18 3.655 -11.577 0.012 135 HB2 HIS 18 HB2 HIS 18 3.568 -12.148 2.265 136 HB3 HIS 18 HB1 HIS 18 5.172 -11.454 2.032 137 HD1 HIS 18 HD1 HIS 18 3.467 -11.781 4.836 138 HD2 HIS 18 HD2 HIS 18 3.993 -8.305 2.635 139 HE1 HIS 18 HE1 HIS 18 3.110 -9.916 6.451 140 HE2 HIS 18 HE2 HIS 18 3.224 -7.823 5.045 141 H SER 19 HN SER 19 2.461 -8.917 -0.478 142 HA SER 19 HA SER 19 0.323 -8.874 1.454 143 HB2 SER 19 HB2 SER 19 1.035 -6.685 -0.404 144 HB3 SER 19 HB1 SER 19 0.133 -6.631 1.101 145 HG SER 19 HG SER 19 2.049 -6.018 1.829 146 H SER 20 HN SER 20 -1.157 -10.013 0.665 147 HA SER 20 HA SER 20 -2.387 -9.274 -1.894 148 HB2 SER 20 HB2 SER 20 -2.265 -12.041 -0.670 149 HB3 SER 20 HB1 SER 20 -3.128 -11.617 -2.153 150 HG SER 20 HG SER 20 -1.240 -11.115 -3.117 151 H ASN 21 HN ASN 21 -2.656 -9.507 1.448 152 HA ASN 21 HA ASN 21 -5.543 -9.097 1.375 153 HB2 ASN 21 HB2 ASN 21 -3.869 -10.752 3.218 154 HB3 ASN 21 HB1 ASN 21 -5.523 -10.289 3.628 155 HD21 ASN 21 HD21 ASN 21 -4.356 -12.906 3.258 156 HD22 ASN 21 HD22 ASN 21 -5.232 -13.674 1.993 157 H ASN 22 HN ASN 22 -3.001 -7.314 1.574 158 HA ASN 22 HA ASN 22 -3.491 -6.110 4.153 159 HB2 ASN 22 HB2 ASN 22 -1.093 -7.495 3.258 160 HB3 ASN 22 HB1 ASN 22 -0.835 -5.911 3.961 161 HD21 ASN 22 HD21 ASN 22 -3.549 -7.844 4.926 162 HD22 ASN 22 HD22 ASN 22 -2.989 -8.330 6.438 163 H PHE 23 HN PHE 23 -1.792 -6.077 1.206 164 HA PHE 23 HA PHE 23 -0.926 -3.532 1.104 165 HB2 PHE 23 HB2 PHE 23 -0.533 -3.849 -1.200 166 HB3 PHE 23 HB1 PHE 23 -0.423 -5.377 -0.347 167 HD1 PHE 23 HD1 PHE 23 -1.631 -3.850 -3.191 168 HD2 PHE 23 HD2 PHE 23 -2.499 -6.718 -0.278 169 HE1 PHE 23 HE1 PHE 23 -3.130 -4.958 -4.807 170 HE2 PHE 23 HE2 PHE 23 -3.988 -7.891 -1.813 171 HZ PHE 23 HZ PHE 23 -4.339 -7.005 -4.125 172 H GLY 24 HN GLY 24 -2.005 -2.006 1.653 173 HA2 GLY 24 HA2 GLY 24 -3.480 -0.340 1.785 174 HA3 GLY 24 HA1 GLY 24 -3.986 -0.574 0.130 175 H ALA 25 HN ALA 25 -4.248 -3.118 2.434 176 HA ALA 25 HA ALA 25 -7.129 -2.941 2.448 177 HB1 ALA 25 HB1 ALA 25 -6.923 -5.149 3.578 178 HB2 ALA 25 HB2 ALA 25 -5.166 -4.914 3.567 179 HB3 ALA 25 HB3 ALA 25 -6.030 -5.074 2.042 180 H ILE 26 HN ILE 26 -4.278 -2.714 4.255 181 HA ILE 26 HA ILE 26 -5.731 -1.721 6.450 182 HB ILE 26 HB ILE 26 -4.292 -3.337 7.244 183 HG12 ILE 26 HG12 ILE 26 -2.708 -0.837 7.427 184 HG13 ILE 26 HG11 ILE 26 -4.049 -1.219 8.508 185 HG21 ILE 26 HG21 ILE 26 -3.016 -3.816 5.247 186 HG22 ILE 26 HG22 ILE 26 -1.881 -3.589 6.575 187 HG23 ILE 26 HG23 ILE 26 -2.157 -2.296 5.403 188 HD11 ILE 26 HD11 ILE 26 -2.740 -3.164 9.352 189 HD12 ILE 26 HD12 ILE 26 -1.933 -1.625 9.648 190 HD13 ILE 26 HD13 ILE 26 -1.394 -2.663 8.328 191 H LEU 27 HN LEU 27 -2.919 -0.999 4.399 192 HA LEU 27 HA LEU 27 -2.237 1.561 5.130 193 HB2 LEU 27 HB2 LEU 27 -0.698 0.809 3.671 194 HB3 LEU 27 HB1 LEU 27 -1.870 -0.264 2.952 195 HG LEU 27 HG LEU 27 -2.609 1.576 1.459 196 HD11 LEU 27 HD11 LEU 27 -1.229 3.479 1.117 197 HD12 LEU 27 HD12 LEU 27 -0.264 3.083 2.557 198 HD13 LEU 27 HD13 LEU 27 -1.990 3.487 2.707 199 HD21 LEU 27 HD21 LEU 27 -0.677 1.475 -0.001 200 HD22 LEU 27 HD22 LEU 27 -1.062 -0.093 0.704 201 HD23 LEU 27 HD23 LEU 27 0.295 0.845 1.328 202 H SER 28 HN SER 28 -4.542 0.590 2.721 203 HA SER 28 HA SER 28 -5.299 3.384 2.486 204 HB2 SER 28 HB2 SER 28 -6.014 1.070 0.697 205 HB3 SER 28 HB1 SER 28 -6.480 2.751 0.432 206 HG SER 28 HG SER 28 -4.239 3.257 0.363 207 H SER 29 HN SER 29 -6.137 0.547 3.786 208 HA SER 29 HA SER 29 -7.807 -0.285 5.085 209 HB2 SER 29 HB2 SER 29 -8.793 2.556 5.057 210 HB3 SER 29 HB1 SER 29 -9.279 1.321 6.213 211 HG SER 29 HG SER 29 -6.528 1.612 6.064 212 H THR 30 HN THR 30 -8.084 -0.278 2.173 213 HA THR 30 HA THR 30 -10.584 0.460 1.267 214 HB THR 30 HB THR 30 -8.766 -0.153 -0.269 215 HG1 THR 30 HG1 THR 30 -10.732 -0.248 -1.167 216 HG21 THR 30 HG21 THR 30 -9.245 -2.992 0.648 217 HG22 THR 30 HG22 THR 30 -7.764 -2.035 0.843 218 HG23 THR 30 HG23 THR 30 -8.283 -2.539 -0.757 219 H ASN 31 HN ASN 31 -9.702 -2.313 3.129 220 HA ASN 31 HA ASN 31 -12.313 -3.565 2.625 221 HB2 ASN 31 HB2 ASN 31 -9.776 -4.786 3.721 222 HB3 ASN 31 HB1 ASN 31 -11.309 -5.642 3.590 223 HD21 ASN 31 HD21 ASN 31 -8.778 -6.252 2.304 224 HD22 ASN 31 HD22 ASN 31 -9.072 -6.208 0.618 225 H VAL 32 HN VAL 32 -11.456 -1.371 4.569 226 HA VAL 32 HA VAL 32 -12.452 -2.593 7.043 227 HB VAL 32 HB VAL 32 -11.374 0.230 6.629 228 HG11 VAL 32 HG11 VAL 32 -11.635 -1.404 9.150 229 HG12 VAL 32 HG12 VAL 32 -12.684 -0.069 8.675 230 HG13 VAL 32 HG13 VAL 32 -10.980 0.228 9.030 231 HG21 VAL 32 HG21 VAL 32 -9.877 -2.222 7.519 232 HG22 VAL 32 HG22 VAL 32 -9.242 -0.571 7.513 233 HG23 VAL 32 HG23 VAL 32 -9.689 -1.357 5.994 234 H GLY 33 HN GLY 33 -13.881 -1.825 4.471 235 HA2 GLY 33 HA2 GLY 33 -16.191 -1.375 4.290 236 HA3 GLY 33 HA1 GLY 33 -16.089 -0.396 5.752 237 H SER 34 HN SER 34 -13.492 0.226 3.777 238 HA SER 34 HA SER 34 -14.511 2.813 3.148 239 HB2 SER 34 HB2 SER 34 -12.139 2.414 3.805 240 HB3 SER 34 HB1 SER 34 -11.912 1.473 2.339 241 HG SER 34 HG SER 34 -12.835 4.124 2.210 242 H ASN 35 HN ASN 35 -13.642 -0.131 1.386 243 HA ASN 35 HA ASN 35 -15.229 0.854 -0.889 244 HB2 ASN 35 HB2 ASN 35 -12.829 -0.910 -0.799 245 HB3 ASN 35 HB1 ASN 35 -13.815 -0.740 -2.261 246 HD21 ASN 35 HD21 ASN 35 -13.716 1.247 -3.346 247 HD22 ASN 35 HD22 ASN 35 -12.446 2.378 -3.073 248 H THR 36 HN THR 36 -14.621 -1.700 1.362 249 HA THR 36 HA THR 36 -16.173 -3.607 -0.019 250 HB THR 36 HB THR 36 -16.045 -4.733 2.315 251 HG1 THR 36 HG1 THR 36 -15.169 -3.607 3.755 252 HG21 THR 36 HG21 THR 36 -14.718 -5.429 0.375 253 HG22 THR 36 HG22 THR 36 -13.746 -5.481 1.846 254 HG23 THR 36 HG23 THR 36 -13.552 -4.149 0.708 255 H TYC 37 HN ATY 37 -18.178 -2.926 -0.384 256 HA TYC 37 HA ATY 37 -19.813 -2.111 1.904 257 HB1 TYC 37 HB1 ATY 37 -21.387 -1.175 0.296 258 HB2 TYC 37 HB2 ATY 37 -20.469 -1.846 -1.043 259 HD1 TYC 37 HD1 ATY 37 -19.580 0.232 1.955 260 HD2 TYC 37 HD2 ATY 37 -19.421 -0.226 -2.275 261 HE1 TYC 37 HE1 ATY 37 -18.266 2.300 1.779 262 HE2 TYC 37 HE2 ATY 37 -18.103 1.838 -2.454 263 HH TYC 37 HH ATY 37 -16.555 3.180 0.074 264 HT21 TYC 37 HT21 ATY 37 -20.375 -3.815 -1.135 265 HT22 TYC 37 HT22 ATY 37 -21.290 -5.113 -0.453 Start of MODEL 15 1 H1 LYS 1 HT1 LYS 1 12.914 5.061 9.086 2 H2 LYS 1 HT2 LYS 1 11.888 5.423 10.387 3 H3 LYS 1 HT3 LYS 1 12.941 6.591 9.739 4 HA LYS 1 HA LYS 1 10.746 5.381 8.216 5 HB2 LYS 1 HB2 LYS 1 10.045 6.957 10.102 6 HB3 LYS 1 HB1 LYS 1 11.015 8.197 9.329 7 HG2 LYS 1 HG2 LYS 1 9.582 8.145 7.366 8 HG3 LYS 1 HG1 LYS 1 8.648 6.822 8.062 9 HD2 LYS 1 HD2 LYS 1 7.383 8.799 8.443 10 HD3 LYS 1 HD1 LYS 1 8.103 8.366 9.985 11 HE2 LYS 1 HE2 LYS 1 8.290 10.742 9.703 12 HE3 LYS 1 HE1 LYS 1 9.896 10.047 9.550 13 HZ1 LYS 1 HZ1 LYS 1 8.167 10.813 7.246 14 HZ2 LYS 1 HZ2 LYS 1 9.776 10.288 7.164 15 HZ3 LYS 1 HZ3 LYS 1 9.406 11.752 7.869 16 H CYS 2 HN CYS 2 10.898 5.938 6.019 17 HA CYS 2 HA CYS 2 12.909 7.899 5.349 18 HB2 CYS 2 HB2 CYS 2 13.819 6.356 3.587 19 HB3 CYS 2 HB1 CYS 2 14.231 5.950 5.252 20 H ASN 3 HN ASN 3 12.816 8.693 3.187 21 HA ASN 3 HA ASN 3 10.220 8.302 1.870 22 HB2 ASN 3 HB2 ASN 3 9.968 10.085 3.623 23 HB3 ASN 3 HB1 ASN 3 11.204 11.018 2.799 24 HD21 ASN 3 HD21 ASN 3 8.586 9.171 1.235 25 HD22 ASN 3 HD22 ASN 3 7.821 10.555 0.579 26 H THR 4 HN THR 4 13.175 7.955 1.362 27 HA THR 4 HA THR 4 13.564 9.739 -0.923 28 HB THR 4 HB THR 4 15.488 9.602 0.600 29 HG1 THR 4 HG1 THR 4 16.377 9.809 -1.302 30 HG21 THR 4 HG21 THR 4 14.989 7.390 1.548 31 HG22 THR 4 HG22 THR 4 16.671 7.527 1.018 32 HG23 THR 4 HG23 THR 4 15.496 6.647 0.033 33 H ALA 5 HN ALA 5 14.439 8.739 -2.862 34 HA ALA 5 HA ALA 5 12.654 6.824 -3.922 35 HB1 ALA 5 HB1 ALA 5 13.647 8.615 -5.263 36 HB2 ALA 5 HB2 ALA 5 13.952 7.027 -5.973 37 HB3 ALA 5 HB3 ALA 5 15.231 7.861 -5.090 38 H THR 6 HN THR 6 15.610 6.509 -2.317 39 HA THR 6 HA THR 6 16.167 3.876 -3.385 40 HB THR 6 HB THR 6 17.458 5.492 -1.186 41 HG1 THR 6 HG1 THR 6 17.582 5.521 -3.897 42 HG21 THR 6 HG21 THR 6 17.893 3.127 -0.913 43 HG22 THR 6 HG22 THR 6 19.366 3.955 -1.440 44 HG23 THR 6 HG23 THR 6 18.421 2.990 -2.588 45 H CYS 7 HN CYS 7 14.129 5.116 -0.961 46 HA CYS 7 HA CYS 7 14.417 2.628 0.624 47 HB2 CYS 7 HB2 CYS 7 15.392 4.836 1.481 48 HB3 CYS 7 HB1 CYS 7 13.768 5.219 1.790 49 H ALA 8 HN ALA 8 12.303 5.379 -0.200 50 HA ALA 8 HA ALA 8 10.050 4.371 1.136 51 HB1 ALA 8 HB1 ALA 8 8.793 5.964 -0.281 52 HB2 ALA 8 HB2 ALA 8 10.268 6.237 -1.226 53 HB3 ALA 8 HB3 ALA 8 10.211 6.695 0.474 54 H THR 9 HN THR 9 11.627 3.751 -1.802 55 HA THR 9 HA THR 9 9.565 2.434 -3.229 56 HB THR 9 HB THR 9 11.588 1.468 -4.418 57 HG1 THR 9 HG1 THR 9 13.421 3.092 -3.838 58 HG21 THR 9 HG21 THR 9 10.277 3.388 -5.237 59 HG22 THR 9 HG22 THR 9 12.001 3.621 -5.551 60 HG23 THR 9 HG23 THR 9 11.230 4.456 -4.204 61 H GLN 10 HN GLN 10 11.844 1.543 -0.888 62 HA GLN 10 HA GLN 10 11.597 -1.323 -1.083 63 HB2 GLN 10 HB2 GLN 10 12.574 0.325 1.259 64 HB3 GLN 10 HB1 GLN 10 12.818 -1.401 1.041 65 HG2 GLN 10 HG2 GLN 10 13.919 0.782 -0.687 66 HG3 GLN 10 HG1 GLN 10 14.809 -0.169 0.499 67 HE21 GLN 10 HE21 GLN 10 14.981 0.210 -2.351 68 HE22 GLN 10 HE22 GLN 10 15.075 -1.375 -3.056 69 H ARG 11 HN ARG 11 10.321 1.218 0.808 70 HA ARG 11 HA ARG 11 8.624 -0.346 2.523 71 HB2 ARG 11 HB2 ARG 11 7.916 2.447 1.588 72 HB3 ARG 11 HB1 ARG 11 7.498 1.690 3.115 73 HG2 ARG 11 HG2 ARG 11 10.219 2.679 2.265 74 HG3 ARG 11 HG1 ARG 11 9.161 3.405 3.472 75 HD2 ARG 11 HD2 ARG 11 10.453 0.688 3.639 76 HD3 ARG 11 HD1 ARG 11 11.026 2.150 4.439 77 HE ARG 11 HE ARG 11 8.378 1.741 5.173 78 HH11 ARG 11 HH11 ARG 11 11.509 0.168 5.649 79 HH12 ARG 11 HH12 ARG 11 11.118 -0.457 7.183 80 HH21 ARG 11 HH21 ARG 11 7.836 0.865 7.229 81 HH22 ARG 11 HH22 ARG 11 8.970 -0.080 8.095 82 H LEU 12 HN LEU 12 8.177 1.230 -0.594 83 HA LEU 12 HA LEU 12 5.593 0.420 -1.165 84 HB2 LEU 12 HB2 LEU 12 8.006 1.007 -2.746 85 HB3 LEU 12 HB1 LEU 12 6.587 0.609 -3.586 86 HG LEU 12 HG LEU 12 7.067 3.039 -1.843 87 HD11 LEU 12 HD11 LEU 12 7.929 3.208 -4.103 88 HD12 LEU 12 HD12 LEU 12 6.539 4.272 -3.892 89 HD13 LEU 12 HD13 LEU 12 6.356 2.747 -4.749 90 HD21 LEU 12 HD21 LEU 12 4.799 2.284 -1.368 91 HD22 LEU 12 HD22 LEU 12 4.459 2.170 -3.093 92 HD23 LEU 12 HD23 LEU 12 4.757 3.741 -2.359 93 H ALA 13 HN ALA 13 8.716 -1.169 -1.661 94 HA ALA 13 HA ALA 13 7.704 -3.313 -3.105 95 HB1 ALA 13 HB1 ALA 13 10.097 -2.776 -3.026 96 HB2 ALA 13 HB2 ALA 13 9.812 -4.462 -2.598 97 HB3 ALA 13 HB3 ALA 13 10.156 -3.278 -1.337 98 H ASN 14 HN ASN 14 7.784 -2.622 0.261 99 HA ASN 14 HA ASN 14 7.119 -5.301 1.082 100 HB2 ASN 14 HB2 ASN 14 7.140 -2.721 2.630 101 HB3 ASN 14 HB1 ASN 14 6.512 -4.228 3.308 102 HD21 ASN 14 HD21 ASN 14 9.249 -3.931 1.173 103 HD22 ASN 14 HD22 ASN 14 10.438 -4.466 2.300 104 H PHE 15 HN PHE 15 5.483 -2.700 -0.109 105 HA PHE 15 HA PHE 15 2.885 -3.465 0.785 106 HB2 PHE 15 HB2 PHE 15 2.651 -1.263 0.183 107 HB3 PHE 15 HB1 PHE 15 4.119 -1.349 -0.781 108 HD1 PHE 15 HD1 PHE 15 0.517 -1.113 -0.873 109 HD2 PHE 15 HD2 PHE 15 3.942 -2.238 -3.073 110 HE1 PHE 15 HE1 PHE 15 -0.778 -0.991 -2.967 111 HE2 PHE 15 HE2 PHE 15 2.768 -2.200 -5.094 112 HZ PHE 15 HZ PHE 15 0.316 -1.523 -5.122 113 H LEU 16 HN LEU 16 5.057 -4.494 -1.695 114 HA LEU 16 HA LEU 16 2.951 -6.057 -3.033 115 HB2 LEU 16 HB2 LEU 16 5.916 -5.883 -3.658 116 HB3 LEU 16 HB1 LEU 16 4.767 -6.912 -4.524 117 HG LEU 16 HG LEU 16 5.301 -5.250 -5.915 118 HD11 LEU 16 HD11 LEU 16 2.823 -4.309 -4.618 119 HD12 LEU 16 HD12 LEU 16 2.987 -5.523 -5.899 120 HD13 LEU 16 HD13 LEU 16 3.411 -3.834 -6.213 121 HD21 LEU 16 HD21 LEU 16 5.264 -2.788 -5.202 122 HD22 LEU 16 HD22 LEU 16 6.594 -3.834 -4.743 123 HD23 LEU 16 HD23 LEU 16 5.370 -3.455 -3.549 124 H VAL 17 HN VAL 17 5.968 -6.488 -1.342 125 HA VAL 17 HA VAL 17 6.782 -8.901 -1.625 126 HB VAL 17 HB VAL 17 7.607 -7.111 -0.076 127 HG11 VAL 17 HG11 VAL 17 7.275 -7.292 2.327 128 HG12 VAL 17 HG12 VAL 17 6.023 -8.502 2.042 129 HG13 VAL 17 HG13 VAL 17 5.792 -6.871 1.460 130 HG21 VAL 17 HG21 VAL 17 7.968 -10.013 0.573 131 HG22 VAL 17 HG22 VAL 17 8.833 -8.739 1.411 132 HG23 VAL 17 HG23 VAL 17 9.017 -8.919 -0.338 133 H HIS 18 HN HIS 18 4.368 -8.483 0.860 134 HA HIS 18 HA HIS 18 3.430 -11.276 0.500 135 HB2 HIS 18 HB2 HIS 18 4.074 -9.989 3.173 136 HB3 HIS 18 HB1 HIS 18 3.176 -11.482 2.995 137 HD1 HIS 18 HD1 HIS 18 4.673 -13.260 3.889 138 HD2 HIS 18 HD2 HIS 18 6.516 -10.500 1.505 139 HE1 HIS 18 HE1 HIS 18 7.036 -14.063 3.750 140 HE2 HIS 18 HE2 HIS 18 8.232 -12.157 2.615 141 H SER 19 HN SER 19 2.764 -8.437 -0.004 142 HA SER 19 HA SER 19 0.382 -8.187 1.655 143 HB2 SER 19 HB2 SER 19 1.864 -6.084 0.118 144 HB3 SER 19 HB1 SER 19 0.510 -5.805 1.199 145 HG SER 19 HG SER 19 2.981 -5.729 1.901 146 H SER 20 HN SER 20 1.438 -8.837 -1.399 147 HA SER 20 HA SER 20 -0.689 -7.667 -2.916 148 HB2 SER 20 HB2 SER 20 1.090 -9.973 -3.718 149 HB3 SER 20 HB1 SER 20 0.094 -9.007 -4.800 150 HG SER 20 HG SER 20 2.288 -8.141 -3.241 151 H ASN 21 HN ASN 21 -0.850 -10.138 -0.827 152 HA ASN 21 HA ASN 21 -3.211 -11.335 -2.136 153 HB2 ASN 21 HB2 ASN 21 -1.142 -12.395 -0.325 154 HB3 ASN 21 HB1 ASN 21 -2.730 -13.193 -0.388 155 HD21 ASN 21 HD21 ASN 21 0.292 -12.665 -1.888 156 HD22 ASN 21 HD22 ASN 21 0.124 -13.759 -3.203 157 H ASN 22 HN ASN 22 -2.498 -9.033 0.076 158 HA ASN 22 HA ASN 22 -4.505 -9.909 2.003 159 HB2 ASN 22 HB2 ASN 22 -1.683 -9.527 2.362 160 HB3 ASN 22 HB1 ASN 22 -2.736 -8.637 3.464 161 HD21 ASN 22 HD21 ASN 22 -3.728 -11.606 2.007 162 HD22 ASN 22 HD22 ASN 22 -3.630 -12.601 3.366 163 H PHE 23 HN PHE 23 -2.502 -7.435 0.768 164 HA PHE 23 HA PHE 23 -3.175 -5.353 2.328 165 HB2 PHE 23 HB2 PHE 23 -2.082 -3.970 0.669 166 HB3 PHE 23 HB1 PHE 23 -1.323 -5.540 0.847 167 HD1 PHE 23 HD1 PHE 23 -0.910 -3.586 -1.366 168 HD2 PHE 23 HD2 PHE 23 -3.418 -6.916 -0.885 169 HE1 PHE 23 HE1 PHE 23 -0.793 -3.949 -3.758 170 HE2 PHE 23 HE2 PHE 23 -3.366 -7.343 -3.304 171 HZ PHE 23 HZ PHE 23 -2.043 -5.835 -4.792 172 H GLY 24 HN GLY 24 -5.018 -5.008 2.844 173 HA2 GLY 24 HA2 GLY 24 -7.174 -4.319 2.896 174 HA3 GLY 24 HA1 GLY 24 -6.994 -3.490 1.387 175 H ALA 25 HN ALA 25 -6.619 -6.844 2.167 176 HA ALA 25 HA ALA 25 -9.048 -7.505 0.698 177 HB1 ALA 25 HB1 ALA 25 -8.036 -9.792 0.577 178 HB2 ALA 25 HB2 ALA 25 -6.642 -9.198 1.467 179 HB3 ALA 25 HB3 ALA 25 -6.968 -8.581 -0.145 180 H ILE 26 HN ILE 26 -6.957 -8.386 3.264 181 HA ILE 26 HA ILE 26 -9.053 -9.343 4.879 182 HB ILE 26 HB ILE 26 -7.028 -10.607 4.946 183 HG12 ILE 26 HG12 ILE 26 -6.948 -8.846 7.267 184 HG13 ILE 26 HG11 ILE 26 -8.167 -10.105 7.169 185 HG21 ILE 26 HG21 ILE 26 -5.442 -9.050 4.064 186 HG22 ILE 26 HG22 ILE 26 -4.839 -9.509 5.664 187 HG23 ILE 26 HG23 ILE 26 -5.695 -7.976 5.423 188 HD11 ILE 26 HD11 ILE 26 -6.260 -11.774 7.097 189 HD12 ILE 26 HD12 ILE 26 -6.357 -10.870 8.610 190 HD13 ILE 26 HD13 ILE 26 -5.156 -10.429 7.393 191 H LEU 27 HN LEU 27 -6.981 -6.549 4.574 192 HA LEU 27 HA LEU 27 -7.584 -5.335 7.028 193 HB2 LEU 27 HB2 LEU 27 -5.854 -4.110 6.282 194 HB3 LEU 27 HB1 LEU 27 -6.085 -4.763 4.684 195 HG LEU 27 HG LEU 27 -7.615 -2.854 4.151 196 HD11 LEU 27 HD11 LEU 27 -6.743 -1.714 6.786 197 HD12 LEU 27 HD12 LEU 27 -8.371 -2.262 6.303 198 HD13 LEU 27 HD13 LEU 27 -7.626 -0.901 5.475 199 HD21 LEU 27 HD21 LEU 27 -5.869 -1.207 3.915 200 HD22 LEU 27 HD22 LEU 27 -5.279 -2.821 3.513 201 HD23 LEU 27 HD23 LEU 27 -4.861 -2.086 5.063 202 H SER 28 HN SER 28 -8.907 -5.060 3.848 203 HA SER 28 HA SER 28 -10.738 -2.998 4.592 204 HB2 SER 28 HB2 SER 28 -11.553 -3.123 2.350 205 HB3 SER 28 HB1 SER 28 -9.799 -3.243 2.347 206 HG SER 28 HG SER 28 -10.286 -4.916 1.100 207 H SER 29 HN SER 29 -10.823 -6.435 4.430 208 HA SER 29 HA SER 29 -12.263 -8.012 4.978 209 HB2 SER 29 HB2 SER 29 -14.152 -5.800 5.879 210 HB3 SER 29 HB1 SER 29 -14.348 -7.522 6.225 211 HG SER 29 HG SER 29 -13.346 -6.162 7.874 212 H THR 30 HN THR 30 -12.207 -6.337 2.454 213 HA THR 30 HA THR 30 -12.769 -6.542 0.386 214 HB THR 30 HB THR 30 -13.832 -8.487 -0.465 215 HG1 THR 30 HG1 THR 30 -14.443 -8.973 2.263 216 HG21 THR 30 HG21 THR 30 -11.883 -9.058 1.717 217 HG22 THR 30 HG22 THR 30 -11.506 -8.652 0.023 218 HG23 THR 30 HG23 THR 30 -12.322 -10.179 0.428 219 H ASN 31 HN ASN 31 -15.566 -6.457 2.465 220 HA ASN 31 HA ASN 31 -17.272 -6.370 0.052 221 HB2 ASN 31 HB2 ASN 31 -17.459 -8.091 2.060 222 HB3 ASN 31 HB1 ASN 31 -18.407 -6.786 2.769 223 HD21 ASN 31 HD21 ASN 31 -18.150 -9.043 0.176 224 HD22 ASN 31 HD22 ASN 31 -19.799 -8.932 -0.350 225 H VAL 32 HN VAL 32 -15.743 -4.353 1.262 226 HA VAL 32 HA VAL 32 -17.739 -2.477 2.272 227 HB VAL 32 HB VAL 32 -15.851 -1.239 3.092 228 HG11 VAL 32 HG11 VAL 32 -16.886 -2.889 4.528 229 HG12 VAL 32 HG12 VAL 32 -15.154 -2.809 4.855 230 HG13 VAL 32 HG13 VAL 32 -15.810 -4.131 3.892 231 HG21 VAL 32 HG21 VAL 32 -13.573 -2.183 3.071 232 HG22 VAL 32 HG22 VAL 32 -14.160 -1.830 1.443 233 HG23 VAL 32 HG23 VAL 32 -14.148 -3.490 2.035 234 H GLY 33 HN GLY 33 -16.614 -3.341 -0.541 235 HA2 GLY 33 HA2 GLY 33 -16.844 -2.109 -2.558 236 HA3 GLY 33 HA1 GLY 33 -16.625 -0.626 -1.628 237 H SER 34 HN SER 34 -14.493 -3.182 -0.964 238 HA SER 34 HA SER 34 -12.493 -2.173 -2.786 239 HB2 SER 34 HB2 SER 34 -12.053 -2.360 0.204 240 HB3 SER 34 HB1 SER 34 -10.837 -1.911 -0.993 241 HG SER 34 HG SER 34 -12.776 -0.326 -1.492 242 H ASN 35 HN ASN 35 -12.440 -4.056 -3.870 243 HA ASN 35 HA ASN 35 -11.140 -6.266 -2.612 244 HB2 ASN 35 HB2 ASN 35 -13.485 -6.867 -2.199 245 HB3 ASN 35 HB1 ASN 35 -13.860 -6.590 -3.899 246 HD21 ASN 35 HD21 ASN 35 -14.552 -8.695 -4.204 247 HD22 ASN 35 HD22 ASN 35 -13.464 -10.025 -4.273 248 H THR 36 HN THR 36 -9.526 -6.307 -3.955 249 HA THR 36 HA THR 36 -9.964 -5.681 -6.753 250 HB THR 36 HB THR 36 -7.270 -6.202 -5.487 251 HG1 THR 36 HG1 THR 36 -7.376 -4.369 -4.447 252 HG21 THR 36 HG21 THR 36 -6.594 -4.489 -7.085 253 HG22 THR 36 HG22 THR 36 -8.292 -4.272 -7.538 254 HG23 THR 36 HG23 THR 36 -7.475 -5.788 -7.913 255 H TYC 37 HN ATY 37 -10.451 -8.310 -5.160 256 HA TYC 37 HA ATY 37 -8.941 -10.141 -6.885 257 HB1 TYC 37 HB1 ATY 37 -9.340 -11.846 -5.139 258 HB2 TYC 37 HB2 ATY 37 -10.212 -10.652 -4.187 259 HD1 TYC 37 HD1 ATY 37 -6.931 -11.862 -5.188 260 HD2 TYC 37 HD2 ATY 37 -9.012 -8.765 -3.148 261 HE1 TYC 37 HE1 ATY 37 -4.830 -11.134 -4.142 262 HE2 TYC 37 HE2 ATY 37 -6.918 -8.036 -2.109 263 HH TYC 37 HH ATY 37 -3.897 -9.171 -3.152 264 HT21 TYC 37 HT21 ATY 37 -10.301 -10.192 -8.585 265 HT22 TYC 37 HT22 ATY 37 -11.923 -10.797 -8.537 Start of MODEL 16 1 H1 LYS 1 HT1 LYS 1 11.225 4.955 9.280 2 H2 LYS 1 HT2 LYS 1 9.717 5.248 10.005 3 H3 LYS 1 HT3 LYS 1 10.808 6.514 9.711 4 HA LYS 1 HA LYS 1 9.676 4.896 7.576 5 HB2 LYS 1 HB2 LYS 1 8.228 6.827 7.082 6 HB3 LYS 1 HB1 LYS 1 7.870 6.160 8.663 7 HG2 LYS 1 HG2 LYS 1 9.160 7.975 9.704 8 HG3 LYS 1 HG1 LYS 1 9.476 8.650 8.103 9 HD2 LYS 1 HD2 LYS 1 7.060 8.916 7.755 10 HD3 LYS 1 HD1 LYS 1 6.764 8.260 9.366 11 HE2 LYS 1 HE2 LYS 1 8.060 10.118 10.326 12 HE3 LYS 1 HE1 LYS 1 8.273 10.789 8.710 13 HZ1 LYS 1 HZ1 LYS 1 5.682 10.429 10.131 14 HZ2 LYS 1 HZ2 LYS 1 5.831 10.945 8.554 15 HZ3 LYS 1 HZ3 LYS 1 6.443 11.896 9.789 16 H CYS 2 HN CYS 2 10.087 5.933 5.503 17 HA CYS 2 HA CYS 2 12.109 7.970 5.453 18 HB2 CYS 2 HB2 CYS 2 13.480 6.562 3.852 19 HB3 CYS 2 HB1 CYS 2 13.552 6.069 5.543 20 H ASN 3 HN ASN 3 12.423 8.758 3.206 21 HA ASN 3 HA ASN 3 10.006 8.360 1.587 22 HB2 ASN 3 HB2 ASN 3 9.575 10.760 1.467 23 HB3 ASN 3 HB1 ASN 3 9.507 10.193 3.131 24 HD21 ASN 3 HD21 ASN 3 11.212 12.155 0.850 25 HD22 ASN 3 HD22 ASN 3 12.226 12.972 1.973 26 H THR 4 HN THR 4 13.047 8.000 1.394 27 HA THR 4 HA THR 4 13.464 9.654 -0.962 28 HB THR 4 HB THR 4 15.356 9.703 0.609 29 HG1 THR 4 HG1 THR 4 16.564 9.748 -1.101 30 HG21 THR 4 HG21 THR 4 14.993 7.505 1.673 31 HG22 THR 4 HG22 THR 4 16.657 7.696 1.111 32 HG23 THR 4 HG23 THR 4 15.516 6.724 0.180 33 H ALA 5 HN ALA 5 14.377 8.682 -2.827 34 HA ALA 5 HA ALA 5 12.738 6.613 -3.814 35 HB1 ALA 5 HB1 ALA 5 15.260 7.752 -4.999 36 HB2 ALA 5 HB2 ALA 5 13.641 8.417 -5.218 37 HB3 ALA 5 HB3 ALA 5 14.039 6.824 -5.869 38 H THR 6 HN THR 6 15.713 6.616 -2.210 39 HA THR 6 HA THR 6 16.616 4.063 -3.099 40 HB THR 6 HB THR 6 17.371 5.703 -0.685 41 HG1 THR 6 HG1 THR 6 17.783 6.082 -3.331 42 HG21 THR 6 HG21 THR 6 18.849 3.506 -2.143 43 HG22 THR 6 HG22 THR 6 18.070 3.383 -0.569 44 HG23 THR 6 HG23 THR 6 19.472 4.441 -0.769 45 H CYS 7 HN CYS 7 14.282 5.145 -0.768 46 HA CYS 7 HA CYS 7 14.621 2.685 0.861 47 HB2 CYS 7 HB2 CYS 7 15.296 5.014 1.702 48 HB3 CYS 7 HB1 CYS 7 13.632 5.269 1.794 49 H ALA 8 HN ALA 8 12.357 5.320 -0.000 50 HA ALA 8 HA ALA 8 10.105 4.177 1.198 51 HB1 ALA 8 HB1 ALA 8 10.320 6.132 -1.082 52 HB2 ALA 8 HB2 ALA 8 10.264 6.519 0.644 53 HB3 ALA 8 HB3 ALA 8 8.856 5.797 -0.144 54 H THR 9 HN THR 9 11.708 3.766 -1.745 55 HA THR 9 HA THR 9 9.617 2.551 -3.269 56 HB THR 9 HB THR 9 11.551 1.701 -4.619 57 HG1 THR 9 HG1 THR 9 13.468 3.198 -3.837 58 HG21 THR 9 HG21 THR 9 12.096 3.964 -5.457 59 HG22 THR 9 HG22 THR 9 11.379 4.654 -4.003 60 HG23 THR 9 HG23 THR 9 10.365 3.781 -5.156 61 H GLN 10 HN GLN 10 11.936 1.498 -1.042 62 HA GLN 10 HA GLN 10 11.677 -1.318 -1.523 63 HB2 GLN 10 HB2 GLN 10 12.782 -0.001 0.958 64 HB3 GLN 10 HB1 GLN 10 13.119 -1.639 0.386 65 HG2 GLN 10 HG2 GLN 10 14.033 0.985 -0.753 66 HG3 GLN 10 HG1 GLN 10 15.018 -0.287 -0.044 67 HE21 GLN 10 HE21 GLN 10 15.040 1.052 -2.601 68 HE22 GLN 10 HE22 GLN 10 15.027 -0.161 -3.823 69 H ARG 11 HN ARG 11 10.434 1.075 0.657 70 HA ARG 11 HA ARG 11 8.839 -0.653 2.307 71 HB2 ARG 11 HB2 ARG 11 8.069 2.166 1.540 72 HB3 ARG 11 HB1 ARG 11 7.662 1.307 3.011 73 HG2 ARG 11 HG2 ARG 11 10.397 2.312 2.256 74 HG3 ARG 11 HG1 ARG 11 9.302 3.072 3.406 75 HD2 ARG 11 HD2 ARG 11 10.548 0.354 3.627 76 HD3 ARG 11 HD1 ARG 11 11.031 1.819 4.490 77 HE ARG 11 HE ARG 11 8.392 1.492 5.093 78 HH11 ARG 11 HH11 ARG 11 11.318 -0.454 5.567 79 HH12 ARG 11 HH12 ARG 11 10.726 -1.270 6.939 80 HH21 ARG 11 HH21 ARG 11 7.585 0.368 6.973 81 HH22 ARG 11 HH22 ARG 11 8.553 -0.801 7.750 82 H LEU 12 HN LEU 12 8.287 1.075 -0.680 83 HA LEU 12 HA LEU 12 5.663 0.337 -1.186 84 HB2 LEU 12 HB2 LEU 12 8.046 0.951 -2.794 85 HB3 LEU 12 HB1 LEU 12 6.618 0.600 -3.644 86 HG LEU 12 HG LEU 12 7.190 2.944 -1.825 87 HD11 LEU 12 HD11 LEU 12 7.956 3.138 -4.134 88 HD12 LEU 12 HD12 LEU 12 6.642 4.257 -3.799 89 HD13 LEU 12 HD13 LEU 12 6.327 2.780 -4.701 90 HD21 LEU 12 HD21 LEU 12 4.889 3.716 -2.206 91 HD22 LEU 12 HD22 LEU 12 4.933 2.228 -1.277 92 HD23 LEU 12 HD23 LEU 12 4.507 2.183 -2.990 93 H ALA 13 HN ALA 13 8.740 -1.208 -1.913 94 HA ALA 13 HA ALA 13 7.638 -3.330 -3.338 95 HB1 ALA 13 HB1 ALA 13 9.815 -4.410 -3.090 96 HB2 ALA 13 HB2 ALA 13 10.256 -3.235 -1.851 97 HB3 ALA 13 HB3 ALA 13 9.986 -2.706 -3.510 98 H ASN 14 HN ASN 14 8.131 -2.732 0.008 99 HA ASN 14 HA ASN 14 7.574 -5.412 0.956 100 HB2 ASN 14 HB2 ASN 14 7.836 -2.778 2.390 101 HB3 ASN 14 HB1 ASN 14 7.390 -4.276 3.191 102 HD21 ASN 14 HD21 ASN 14 9.689 -4.273 0.612 103 HD22 ASN 14 HD22 ASN 14 11.081 -4.551 1.583 104 H PHE 15 HN PHE 15 5.634 -3.013 -0.339 105 HA PHE 15 HA PHE 15 3.525 -3.275 1.599 106 HB2 PHE 15 HB2 PHE 15 3.285 -1.101 1.006 107 HB3 PHE 15 HB1 PHE 15 4.486 -1.311 -0.257 108 HD1 PHE 15 HD1 PHE 15 0.939 -1.060 0.519 109 HD2 PHE 15 HD2 PHE 15 3.766 -1.783 -2.566 110 HE1 PHE 15 HE1 PHE 15 -0.802 -0.682 -1.173 111 HE2 PHE 15 HE2 PHE 15 2.036 -1.409 -4.256 112 HZ PHE 15 HZ PHE 15 -0.251 -0.856 -3.560 113 H LEU 16 HN LEU 16 4.700 -4.515 -1.324 114 HA LEU 16 HA LEU 16 2.215 -5.902 -1.676 115 HB2 LEU 16 HB2 LEU 16 2.115 -5.351 -3.738 116 HB3 LEU 16 HB1 LEU 16 2.916 -3.955 -3.186 117 HG LEU 16 HG LEU 16 4.458 -6.178 -4.548 118 HD11 LEU 16 HD11 LEU 16 3.368 -3.631 -5.720 119 HD12 LEU 16 HD12 LEU 16 2.832 -5.270 -6.104 120 HD13 LEU 16 HD13 LEU 16 4.464 -4.750 -6.530 121 HD21 LEU 16 HD21 LEU 16 6.136 -4.436 -4.838 122 HD22 LEU 16 HD22 LEU 16 5.772 -4.702 -3.135 123 HD23 LEU 16 HD23 LEU 16 5.108 -3.300 -3.970 124 H VAL 17 HN VAL 17 4.897 -6.470 -0.356 125 HA VAL 17 HA VAL 17 6.338 -8.144 -2.124 126 HB VAL 17 HB VAL 17 7.419 -6.879 -0.328 127 HG11 VAL 17 HG11 VAL 17 6.253 -8.867 1.609 128 HG12 VAL 17 HG12 VAL 17 5.860 -7.174 1.488 129 HG13 VAL 17 HG13 VAL 17 7.486 -7.659 1.998 130 HG21 VAL 17 HG21 VAL 17 8.973 -8.723 0.439 131 HG22 VAL 17 HG22 VAL 17 8.745 -8.496 -1.291 132 HG23 VAL 17 HG23 VAL 17 7.928 -9.827 -0.481 133 H HIS 18 HN HIS 18 4.581 -9.003 0.793 134 HA HIS 18 HA HIS 18 3.919 -11.557 -0.510 135 HB2 HIS 18 HB2 HIS 18 4.666 -11.106 2.386 136 HB3 HIS 18 HB1 HIS 18 3.848 -12.559 1.837 137 HD1 HIS 18 HD1 HIS 18 5.385 -14.419 1.336 138 HD2 HIS 18 HD2 HIS 18 7.081 -10.711 0.894 139 HE1 HIS 18 HE1 HIS 18 7.799 -14.903 0.788 140 HE2 HIS 18 HE2 HIS 18 8.671 -12.633 0.116 141 H SER 19 HN SER 19 2.850 -8.747 0.242 142 HA SER 19 HA SER 19 0.580 -9.197 1.796 143 HB2 SER 19 HB2 SER 19 1.191 -6.993 -0.159 144 HB3 SER 19 HB1 SER 19 0.012 -6.946 1.152 145 HG SER 19 HG SER 19 1.573 -6.224 2.270 146 H SER 20 HN SER 20 1.458 -9.985 -1.344 147 HA SER 20 HA SER 20 -0.654 -9.417 -3.058 148 HB2 SER 20 HB2 SER 20 1.216 -11.756 -3.094 149 HB3 SER 20 HB1 SER 20 0.433 -11.003 -4.495 150 HG SER 20 HG SER 20 2.666 -10.349 -4.022 151 H ASN 21 HN ASN 21 -0.578 -11.492 -0.547 152 HA ASN 21 HA ASN 21 -2.402 -13.502 -1.623 153 HB2 ASN 21 HB2 ASN 21 -0.743 -13.275 0.799 154 HB3 ASN 21 HB1 ASN 21 -2.179 -14.316 0.900 155 HD21 ASN 21 HD21 ASN 21 0.743 -14.803 0.937 156 HD22 ASN 21 HD22 ASN 21 1.025 -16.004 -0.263 157 H ASN 22 HN ASN 22 -2.528 -10.586 -0.016 158 HA ASN 22 HA ASN 22 -5.366 -11.049 0.493 159 HB2 ASN 22 HB2 ASN 22 -3.296 -9.686 2.033 160 HB3 ASN 22 HB1 ASN 22 -4.733 -8.707 1.867 161 HD21 ASN 22 HD21 ASN 22 -4.670 -12.235 1.941 162 HD22 ASN 22 HD22 ASN 22 -5.433 -12.412 3.467 163 H PHE 23 HN PHE 23 -2.911 -8.973 -0.556 164 HA PHE 23 HA PHE 23 -4.313 -6.961 -1.742 165 HB2 PHE 23 HB2 PHE 23 -1.758 -8.095 -1.669 166 HB3 PHE 23 HB1 PHE 23 -1.875 -7.201 -3.125 167 HD1 PHE 23 HD1 PHE 23 -1.724 -4.747 -2.892 168 HD2 PHE 23 HD2 PHE 23 -2.354 -7.184 0.520 169 HE1 PHE 23 HE1 PHE 23 -1.413 -2.795 -1.438 170 HE2 PHE 23 HE2 PHE 23 -2.042 -5.306 1.977 171 HZ PHE 23 HZ PHE 23 -1.566 -3.048 1.015 172 H GLY 24 HN GLY 24 -5.838 -7.559 -2.731 173 HA2 GLY 24 HA2 GLY 24 -7.085 -7.772 -4.571 174 HA3 GLY 24 HA1 GLY 24 -5.722 -8.199 -5.557 175 H ALA 25 HN ALA 25 -6.536 -9.751 -2.595 176 HA ALA 25 HA ALA 25 -7.735 -11.979 -4.022 177 HB1 ALA 25 HB1 ALA 25 -6.546 -11.723 -1.257 178 HB2 ALA 25 HB2 ALA 25 -5.798 -12.543 -2.621 179 HB3 ALA 25 HB3 ALA 25 -7.272 -13.203 -1.895 180 H ILE 26 HN ILE 26 -7.804 -10.240 -1.049 181 HA ILE 26 HA ILE 26 -10.604 -10.423 -0.926 182 HB ILE 26 HB ILE 26 -9.481 -10.762 1.142 183 HG12 ILE 26 HG12 ILE 26 -10.362 -7.981 1.127 184 HG13 ILE 26 HG11 ILE 26 -11.534 -9.292 1.189 185 HG21 ILE 26 HG21 ILE 26 -7.975 -9.005 2.132 186 HG22 ILE 26 HG22 ILE 26 -8.059 -8.191 0.547 187 HG23 ILE 26 HG23 ILE 26 -7.351 -9.783 0.672 188 HD11 ILE 26 HD11 ILE 26 -10.460 -9.993 3.375 189 HD12 ILE 26 HD12 ILE 26 -11.238 -8.414 3.443 190 HD13 ILE 26 HD13 ILE 26 -9.486 -8.525 3.294 191 H LEU 27 HN LEU 27 -8.069 -8.129 -1.683 192 HA LEU 27 HA LEU 27 -9.607 -5.784 -1.468 193 HB2 LEU 27 HB2 LEU 27 -7.492 -4.974 -1.576 194 HB3 LEU 27 HB1 LEU 27 -6.984 -6.551 -2.108 195 HG LEU 27 HG LEU 27 -7.162 -5.856 -4.467 196 HD11 LEU 27 HD11 LEU 27 -7.922 -3.154 -3.420 197 HD12 LEU 27 HD12 LEU 27 -8.896 -4.300 -4.387 198 HD13 LEU 27 HD13 LEU 27 -7.438 -3.594 -5.073 199 HD21 LEU 27 HD21 LEU 27 -5.051 -5.587 -3.328 200 HD22 LEU 27 HD22 LEU 27 -5.534 -3.985 -2.770 201 HD23 LEU 27 HD23 LEU 27 -5.301 -4.286 -4.492 202 H SER 28 HN SER 28 -8.772 -7.865 -4.034 203 HA SER 28 HA SER 28 -10.326 -6.351 -5.886 204 HB2 SER 28 HB2 SER 28 -8.952 -8.990 -6.179 205 HB3 SER 28 HB1 SER 28 -9.758 -8.163 -7.526 206 HG SER 28 HG SER 28 -8.297 -6.447 -7.228 207 H SER 29 HN SER 29 -10.780 -8.713 -3.693 208 HA SER 29 HA SER 29 -12.522 -9.778 -2.790 209 HB2 SER 29 HB2 SER 29 -14.144 -8.160 -4.727 210 HB3 SER 29 HB1 SER 29 -14.788 -8.988 -3.306 211 HG SER 29 HG SER 29 -12.799 -7.581 -2.387 212 H THR 30 HN THR 30 -11.176 -10.773 -5.223 213 HA THR 30 HA THR 30 -13.171 -12.435 -6.458 214 HB THR 30 HB THR 30 -11.234 -11.624 -7.761 215 HG1 THR 30 HG1 THR 30 -11.203 -13.393 -8.906 216 HG21 THR 30 HG21 THR 30 -9.568 -13.398 -5.958 217 HG22 THR 30 HG22 THR 30 -9.511 -11.640 -6.021 218 HG23 THR 30 HG23 THR 30 -8.978 -12.588 -7.409 219 H ASN 31 HN ASN 31 -11.183 -12.449 -3.705 220 HA ASN 31 HA ASN 31 -11.854 -15.229 -3.212 221 HB2 ASN 31 HB2 ASN 31 -9.453 -15.110 -3.783 222 HB3 ASN 31 HB1 ASN 31 -9.224 -13.868 -2.560 223 HD21 ASN 31 HD21 ASN 31 -9.116 -14.462 -0.441 224 HD22 ASN 31 HD22 ASN 31 -8.946 -16.096 0.085 225 H VAL 32 HN VAL 32 -13.606 -14.372 -2.305 226 HA VAL 32 HA VAL 32 -13.300 -13.743 0.529 227 HB VAL 32 HB VAL 32 -15.246 -12.240 -1.285 228 HG11 VAL 32 HG11 VAL 32 -16.206 -12.661 0.892 229 HG12 VAL 32 HG12 VAL 32 -15.820 -10.948 0.739 230 HG13 VAL 32 HG13 VAL 32 -14.773 -12.010 1.681 231 HG21 VAL 32 HG21 VAL 32 -12.874 -11.134 0.224 232 HG22 VAL 32 HG22 VAL 32 -14.016 -10.197 -0.745 233 HG23 VAL 32 HG23 VAL 32 -12.959 -11.382 -1.518 234 H GLY 33 HN GLY 33 -15.457 -14.381 -2.185 235 HA2 GLY 33 HA2 GLY 33 -16.459 -16.605 -2.292 236 HA3 GLY 33 HA1 GLY 33 -16.771 -16.454 -0.568 237 H SER 34 HN SER 34 -17.239 -13.555 -2.239 238 HA SER 34 HA SER 34 -20.104 -14.175 -2.379 239 HB2 SER 34 HB2 SER 34 -19.604 -12.943 -0.283 240 HB3 SER 34 HB1 SER 34 -18.993 -11.597 -1.236 241 HG SER 34 HG SER 34 -21.316 -11.896 -2.239 242 H ASN 35 HN ASN 35 -17.705 -11.708 -3.401 243 HA ASN 35 HA ASN 35 -19.328 -10.600 -5.440 244 HB2 ASN 35 HB2 ASN 35 -17.347 -9.462 -4.428 245 HB3 ASN 35 HB1 ASN 35 -16.296 -10.627 -5.210 246 HD21 ASN 35 HD21 ASN 35 -16.439 -7.713 -5.353 247 HD22 ASN 35 HD22 ASN 35 -16.600 -7.308 -7.014 248 H THR 36 HN THR 36 -17.132 -13.258 -5.367 249 HA THR 36 HA THR 36 -17.621 -13.758 -8.189 250 HB THR 36 HB THR 36 -15.724 -15.414 -7.906 251 HG1 THR 36 HG1 THR 36 -14.610 -15.404 -6.107 252 HG21 THR 36 HG21 THR 36 -15.428 -13.227 -8.974 253 HG22 THR 36 HG22 THR 36 -14.001 -13.668 -8.040 254 HG23 THR 36 HG23 THR 36 -15.153 -12.491 -7.397 255 H TYC 37 HN ATY 37 -19.222 -14.361 -5.618 256 HA TYC 37 HA ATY 37 -20.578 -15.896 -4.751 257 HB1 TYC 37 HB1 ATY 37 -21.883 -17.121 -6.365 258 HB2 TYC 37 HB2 ATY 37 -20.687 -16.816 -7.629 259 HD1 TYC 37 HD1 ATY 37 -20.497 -14.589 -8.631 260 HD2 TYC 37 HD2 ATY 37 -23.378 -15.389 -5.616 261 HE1 TYC 37 HE1 ATY 37 -21.635 -12.480 -9.169 262 HE2 TYC 37 HE2 ATY 37 -24.521 -13.289 -6.139 263 HH TYC 37 HH ATY 37 -23.775 -11.453 -8.932 264 HT21 TYC 37 HT21 ATY 37 -19.054 -16.962 -3.448 265 HT22 TYC 37 HT22 ATY 37 -18.543 -18.571 -3.811 Start of MODEL 17 1 H1 LYS 1 HT1 LYS 1 10.530 5.290 10.134 2 H2 LYS 1 HT2 LYS 1 11.472 6.685 9.863 3 H3 LYS 1 HT3 LYS 1 11.973 5.205 9.264 4 HA LYS 1 HA LYS 1 10.263 5.081 7.737 5 HB2 LYS 1 HB2 LYS 1 9.393 7.781 8.816 6 HB3 LYS 1 HB1 LYS 1 8.751 7.001 7.384 7 HG2 LYS 1 HG2 LYS 1 7.898 5.162 8.759 8 HG3 LYS 1 HG1 LYS 1 8.545 5.953 10.197 9 HD2 LYS 1 HD2 LYS 1 6.175 6.403 10.015 10 HD3 LYS 1 HD1 LYS 1 7.089 7.887 9.755 11 HE2 LYS 1 HE2 LYS 1 6.808 7.642 7.341 12 HE3 LYS 1 HE1 LYS 1 5.920 6.140 7.588 13 HZ1 LYS 1 HZ1 LYS 1 4.209 7.380 8.742 14 HZ2 LYS 1 HZ2 LYS 1 4.457 8.046 7.218 15 HZ3 LYS 1 HZ3 LYS 1 5.091 8.802 8.580 16 H CYS 2 HN CYS 2 10.603 5.939 5.669 17 HA CYS 2 HA CYS 2 12.651 7.983 5.508 18 HB2 CYS 2 HB2 CYS 2 13.681 6.536 3.677 19 HB3 CYS 2 HB1 CYS 2 13.954 6.039 5.348 20 H ASN 3 HN ASN 3 12.890 8.795 3.234 21 HA ASN 3 HA ASN 3 10.271 8.798 1.867 22 HB2 ASN 3 HB2 ASN 3 10.190 11.217 1.855 23 HB3 ASN 3 HB1 ASN 3 10.356 10.660 3.515 24 HD21 ASN 3 HD21 ASN 3 11.815 12.401 0.934 25 HD22 ASN 3 HD22 ASN 3 13.169 13.015 1.798 26 H THR 4 HN THR 4 13.286 8.055 1.387 27 HA THR 4 HA THR 4 13.681 9.702 -0.992 28 HB THR 4 HB THR 4 15.634 9.644 0.493 29 HG1 THR 4 HG1 THR 4 16.936 9.539 -1.108 30 HG21 THR 4 HG21 THR 4 16.877 7.568 0.901 31 HG22 THR 4 HG22 THR 4 15.625 6.659 0.055 32 HG23 THR 4 HG23 THR 4 15.247 7.471 1.571 33 H ALA 5 HN ALA 5 14.432 8.668 -2.893 34 HA ALA 5 HA ALA 5 12.688 6.667 -3.834 35 HB1 ALA 5 HB1 ALA 5 13.607 8.395 -5.297 36 HB2 ALA 5 HB2 ALA 5 13.983 6.788 -5.921 37 HB3 ALA 5 HB3 ALA 5 15.221 7.723 -5.085 38 H THR 6 HN THR 6 15.711 6.519 -2.321 39 HA THR 6 HA THR 6 16.427 3.899 -3.222 40 HB THR 6 HB THR 6 17.426 5.547 -0.888 41 HG1 THR 6 HG1 THR 6 18.404 5.242 -3.535 42 HG21 THR 6 HG21 THR 6 18.672 3.182 -2.308 43 HG22 THR 6 HG22 THR 6 18.006 3.196 -0.672 44 HG23 THR 6 HG23 THR 6 19.448 4.147 -1.043 45 H CYS 7 HN CYS 7 14.174 5.100 -0.914 46 HA CYS 7 HA CYS 7 14.440 2.638 0.724 47 HB2 CYS 7 HB2 CYS 7 15.343 4.865 1.557 48 HB3 CYS 7 HB1 CYS 7 13.708 5.271 1.747 49 H ALA 8 HN ALA 8 12.293 5.381 -0.124 50 HA ALA 8 HA ALA 8 10.055 4.336 1.201 51 HB1 ALA 8 HB1 ALA 8 10.308 6.291 -1.061 52 HB2 ALA 8 HB2 ALA 8 10.251 6.662 0.672 53 HB3 ALA 8 HB3 ALA 8 8.824 6.001 -0.139 54 H THR 9 HN THR 9 11.579 3.807 -1.759 55 HA THR 9 HA THR 9 9.467 2.581 -3.239 56 HB THR 9 HB THR 9 11.454 1.599 -4.499 57 HG1 THR 9 HG1 THR 9 13.329 3.150 -3.823 58 HG21 THR 9 HG21 THR 9 10.244 3.632 -5.221 59 HG22 THR 9 HG22 THR 9 11.977 3.776 -5.531 60 HG23 THR 9 HG23 THR 9 11.260 4.599 -4.146 61 H GLN 10 HN GLN 10 11.719 1.586 -0.930 62 HA GLN 10 HA GLN 10 11.430 -1.251 -1.302 63 HB2 GLN 10 HB2 GLN 10 12.578 0.118 1.132 64 HB3 GLN 10 HB1 GLN 10 12.850 -1.546 0.617 65 HG2 GLN 10 HG2 GLN 10 13.843 0.977 -0.668 66 HG3 GLN 10 HG1 GLN 10 14.791 -0.281 0.112 67 HE21 GLN 10 HE21 GLN 10 14.769 0.906 -2.545 68 HE22 GLN 10 HE22 GLN 10 14.738 -0.405 -3.671 69 H ARG 11 HN ARG 11 10.087 1.232 0.630 70 HA ARG 11 HA ARG 11 8.528 -0.490 2.343 71 HB2 ARG 11 HB2 ARG 11 7.766 2.309 1.513 72 HB3 ARG 11 HB1 ARG 11 7.259 1.440 2.949 73 HG2 ARG 11 HG2 ARG 11 9.992 2.565 2.370 74 HG3 ARG 11 HG1 ARG 11 8.857 3.130 3.590 75 HD2 ARG 11 HD2 ARG 11 10.399 0.550 3.507 76 HD3 ARG 11 HD1 ARG 11 10.558 1.875 4.661 77 HE ARG 11 HE ARG 11 7.989 1.091 4.967 78 HH11 ARG 11 HH11 ARG 11 11.096 -0.612 5.276 79 HH12 ARG 11 HH12 ARG 11 10.478 -1.854 6.256 80 HH21 ARG 11 HH21 ARG 11 7.147 -0.661 6.326 81 HH22 ARG 11 HH22 ARG 11 8.206 -1.865 6.880 82 H LEU 12 HN LEU 12 8.048 1.101 -0.729 83 HA LEU 12 HA LEU 12 5.485 0.215 -1.304 84 HB2 LEU 12 HB2 LEU 12 7.917 0.835 -2.856 85 HB3 LEU 12 HB1 LEU 12 6.514 0.439 -3.727 86 HG LEU 12 HG LEU 12 7.050 2.866 -2.013 87 HD11 LEU 12 HD11 LEU 12 6.490 4.090 -4.041 88 HD12 LEU 12 HD12 LEU 12 6.176 2.573 -4.877 89 HD13 LEU 12 HD13 LEU 12 7.807 2.953 -4.331 90 HD21 LEU 12 HD21 LEU 12 4.370 2.031 -3.129 91 HD22 LEU 12 HD22 LEU 12 4.736 3.607 -2.437 92 HD23 LEU 12 HD23 LEU 12 4.791 2.172 -1.419 93 H ALA 13 HN ALA 13 8.678 -1.215 -1.711 94 HA ALA 13 HA ALA 13 7.894 -3.487 -3.096 95 HB1 ALA 13 HB1 ALA 13 10.259 -3.244 -1.241 96 HB2 ALA 13 HB2 ALA 13 10.233 -2.718 -2.918 97 HB3 ALA 13 HB3 ALA 13 10.062 -4.432 -2.534 98 H ASN 14 HN ASN 14 7.983 -2.728 0.299 99 HA ASN 14 HA ASN 14 7.375 -5.423 1.152 100 HB2 ASN 14 HB2 ASN 14 7.422 -2.833 2.674 101 HB3 ASN 14 HB1 ASN 14 6.893 -4.363 3.387 102 HD21 ASN 14 HD21 ASN 14 9.536 -3.917 1.160 103 HD22 ASN 14 HD22 ASN 14 10.796 -4.375 2.244 104 H PHE 15 HN PHE 15 5.558 -3.069 -0.316 105 HA PHE 15 HA PHE 15 3.198 -3.465 1.262 106 HB2 PHE 15 HB2 PHE 15 3.135 -1.270 0.656 107 HB3 PHE 15 HB1 PHE 15 4.280 -1.533 -0.652 108 HD1 PHE 15 HD1 PHE 15 0.731 -1.462 0.313 109 HD2 PHE 15 HD2 PHE 15 3.511 -1.911 -2.870 110 HE1 PHE 15 HE1 PHE 15 -1.090 -1.194 -1.317 111 HE2 PHE 15 HE2 PHE 15 1.743 -1.662 -4.494 112 HZ PHE 15 HZ PHE 15 -0.597 -1.286 -3.731 113 H LEU 16 HN LEU 16 4.876 -4.667 -1.444 114 HA LEU 16 HA LEU 16 2.550 -6.184 -2.170 115 HB2 LEU 16 HB2 LEU 16 2.559 -5.382 -4.151 116 HB3 LEU 16 HB1 LEU 16 3.410 -4.093 -3.474 117 HG LEU 16 HG LEU 16 4.952 -6.284 -4.871 118 HD11 LEU 16 HD11 LEU 16 3.413 -5.260 -6.466 119 HD12 LEU 16 HD12 LEU 16 5.080 -4.778 -6.788 120 HD13 LEU 16 HD13 LEU 16 3.978 -3.659 -5.984 121 HD21 LEU 16 HD21 LEU 16 6.195 -4.868 -3.315 122 HD22 LEU 16 HD22 LEU 16 5.588 -3.439 -4.160 123 HD23 LEU 16 HD23 LEU 16 6.674 -4.559 -4.991 124 H VAL 17 HN VAL 17 4.895 -6.713 -0.504 125 HA VAL 17 HA VAL 17 6.610 -8.377 -2.079 126 HB VAL 17 HB VAL 17 7.554 -7.022 -0.289 127 HG11 VAL 17 HG11 VAL 17 6.215 -8.782 1.731 128 HG12 VAL 17 HG12 VAL 17 5.722 -7.161 1.318 129 HG13 VAL 17 HG13 VAL 17 7.312 -7.437 2.041 130 HG21 VAL 17 HG21 VAL 17 8.935 -8.736 0.829 131 HG22 VAL 17 HG22 VAL 17 8.875 -8.818 -0.931 132 HG23 VAL 17 HG23 VAL 17 7.942 -9.970 0.035 133 H HIS 18 HN HIS 18 4.729 -9.220 0.770 134 HA HIS 18 HA HIS 18 4.107 -11.793 -0.562 135 HB2 HIS 18 HB2 HIS 18 4.257 -11.269 2.433 136 HB3 HIS 18 HB1 HIS 18 3.738 -12.773 1.698 137 HD1 HIS 18 HD1 HIS 18 5.536 -14.491 1.531 138 HD2 HIS 18 HD2 HIS 18 6.944 -10.625 1.624 139 HE1 HIS 18 HE1 HIS 18 8.020 -14.731 1.637 140 HE2 HIS 18 HE2 HIS 18 8.886 -12.382 1.456 141 H SER 19 HN SER 19 3.043 -8.854 0.531 142 HA SER 19 HA SER 19 0.521 -9.169 1.532 143 HB2 SER 19 HB2 SER 19 1.560 -7.020 -0.272 144 HB3 SER 19 HB1 SER 19 0.300 -6.875 0.949 145 HG SER 19 HG SER 19 1.849 -6.289 2.166 146 H SER 20 HN SER 20 1.726 -9.774 -1.468 147 HA SER 20 HA SER 20 -0.129 -8.972 -3.373 148 HB2 SER 20 HB2 SER 20 1.537 -11.459 -3.508 149 HB3 SER 20 HB1 SER 20 1.065 -10.378 -4.826 150 HG SER 20 HG SER 20 2.906 -9.449 -4.417 151 H ASN 21 HN ASN 21 -0.508 -11.325 -1.042 152 HA ASN 21 HA ASN 21 -2.525 -12.792 -2.585 153 HB2 ASN 21 HB2 ASN 21 -0.736 -13.461 -0.346 154 HB3 ASN 21 HB1 ASN 21 -2.118 -14.535 -0.719 155 HD21 ASN 21 HD21 ASN 21 1.096 -13.593 -1.393 156 HD22 ASN 21 HD22 ASN 21 1.359 -14.610 -2.757 157 H ASN 22 HN ASN 22 -2.365 -10.290 -0.330 158 HA ASN 22 HA ASN 22 -4.785 -11.157 1.015 159 HB2 ASN 22 HB2 ASN 22 -2.178 -10.770 2.096 160 HB3 ASN 22 HB1 ASN 22 -3.414 -9.719 2.799 161 HD21 ASN 22 HD21 ASN 22 -4.073 -12.789 1.381 162 HD22 ASN 22 HD22 ASN 22 -4.475 -13.620 2.801 163 H PHE 23 HN PHE 23 -2.602 -8.648 0.245 164 HA PHE 23 HA PHE 23 -3.803 -6.537 1.436 165 HB2 PHE 23 HB2 PHE 23 -2.245 -5.195 0.257 166 HB3 PHE 23 HB1 PHE 23 -1.592 -6.803 0.416 167 HD1 PHE 23 HD1 PHE 23 -2.691 -8.260 -1.589 168 HD2 PHE 23 HD2 PHE 23 -1.321 -4.312 -1.684 169 HE1 PHE 23 HE1 PHE 23 -2.157 -8.558 -3.950 170 HE2 PHE 23 HE2 PHE 23 -0.766 -4.509 -4.064 171 HZ PHE 23 HZ PHE 23 -1.194 -6.640 -5.246 172 H GLY 24 HN GLY 24 -5.721 -6.252 1.359 173 HA2 GLY 24 HA2 GLY 24 -7.885 -5.795 0.758 174 HA3 GLY 24 HA1 GLY 24 -7.282 -5.003 -0.677 175 H ALA 25 HN ALA 25 -6.546 -8.286 -0.161 176 HA ALA 25 HA ALA 25 -8.140 -9.097 -2.409 177 HB1 ALA 25 HB1 ALA 25 -5.850 -9.877 -2.203 178 HB2 ALA 25 HB2 ALA 25 -6.956 -11.253 -1.970 179 HB3 ALA 25 HB3 ALA 25 -6.197 -10.470 -0.583 180 H ILE 26 HN ILE 26 -7.650 -9.382 0.945 181 HA ILE 26 HA ILE 26 -10.011 -10.876 1.142 182 HB ILE 26 HB ILE 26 -8.317 -12.096 2.159 183 HG12 ILE 26 HG12 ILE 26 -9.530 -10.510 4.318 184 HG13 ILE 26 HG11 ILE 26 -10.366 -11.863 3.551 185 HG21 ILE 26 HG21 ILE 26 -6.575 -10.437 2.225 186 HG22 ILE 26 HG22 ILE 26 -6.722 -11.171 3.822 187 HG23 ILE 26 HG23 ILE 26 -7.410 -9.574 3.509 188 HD11 ILE 26 HD11 ILE 26 -8.571 -13.368 4.409 189 HD12 ILE 26 HD12 ILE 26 -9.466 -12.567 5.704 190 HD13 ILE 26 HD13 ILE 26 -7.866 -11.986 5.247 191 H LEU 27 HN LEU 27 -8.346 -7.965 2.538 192 HA LEU 27 HA LEU 27 -10.388 -7.549 4.409 193 HB2 LEU 27 HB2 LEU 27 -9.163 -5.620 4.997 194 HB3 LEU 27 HB1 LEU 27 -8.168 -7.043 4.909 195 HG LEU 27 HG LEU 27 -7.483 -6.060 2.591 196 HD11 LEU 27 HD11 LEU 27 -8.377 -3.558 4.024 197 HD12 LEU 27 HD12 LEU 27 -9.109 -4.232 2.570 198 HD13 LEU 27 HD13 LEU 27 -7.461 -3.614 2.516 199 HD21 LEU 27 HD21 LEU 27 -5.965 -6.380 4.436 200 HD22 LEU 27 HD22 LEU 27 -6.546 -4.882 5.180 201 HD23 LEU 27 HD23 LEU 27 -5.670 -4.826 3.647 202 H SER 28 HN SER 28 -9.793 -6.460 1.183 203 HA SER 28 HA SER 28 -11.294 -4.330 1.774 204 HB2 SER 28 HB2 SER 28 -10.342 -5.280 -0.904 205 HB3 SER 28 HB1 SER 28 -11.325 -3.825 -0.753 206 HG SER 28 HG SER 28 -9.777 -3.017 0.682 207 H SER 29 HN SER 29 -11.876 -7.442 0.865 208 HA SER 29 HA SER 29 -13.549 -8.827 0.567 209 HB2 SER 29 HB2 SER 29 -15.308 -6.503 1.261 210 HB3 SER 29 HB1 SER 29 -15.849 -8.187 1.215 211 HG SER 29 HG SER 29 -14.481 -6.850 3.126 212 H THR 30 HN THR 30 -13.774 -5.991 -1.316 213 HA THR 30 HA THR 30 -15.518 -6.846 -3.307 214 HB THR 30 HB THR 30 -14.815 -4.563 -3.389 215 HG1 THR 30 HG1 THR 30 -15.025 -5.665 -5.503 216 HG21 THR 30 HG21 THR 30 -12.656 -4.819 -2.283 217 HG22 THR 30 HG22 THR 30 -12.486 -3.847 -3.752 218 HG23 THR 30 HG23 THR 30 -11.978 -5.541 -3.737 219 H ASN 31 HN ASN 31 -12.126 -7.535 -2.841 220 HA ASN 31 HA ASN 31 -11.845 -9.015 -5.283 221 HB2 ASN 31 HB2 ASN 31 -10.042 -8.582 -2.928 222 HB3 ASN 31 HB1 ASN 31 -9.589 -9.621 -4.275 223 HD21 ASN 31 HD21 ASN 31 -9.035 -8.693 -6.199 224 HD22 ASN 31 HD22 ASN 31 -8.786 -7.000 -6.403 225 H VAL 32 HN VAL 32 -13.397 -9.759 -2.515 226 HA VAL 32 HA VAL 32 -12.687 -12.601 -2.625 227 HB VAL 32 HB VAL 32 -14.680 -11.274 -0.742 228 HG11 VAL 32 HG11 VAL 32 -14.233 -13.204 0.707 229 HG12 VAL 32 HG12 VAL 32 -13.167 -13.869 -0.530 230 HG13 VAL 32 HG13 VAL 32 -14.889 -13.676 -0.862 231 HG21 VAL 32 HG21 VAL 32 -11.767 -11.786 -0.193 232 HG22 VAL 32 HG22 VAL 32 -12.949 -11.139 0.953 233 HG23 VAL 32 HG23 VAL 32 -12.494 -10.213 -0.487 234 H GLY 33 HN GLY 33 -14.533 -10.456 -4.186 235 HA2 GLY 33 HA2 GLY 33 -16.090 -10.907 -5.838 236 HA3 GLY 33 HA1 GLY 33 -16.345 -12.498 -5.130 237 H SER 34 HN SER 34 -16.454 -9.782 -2.980 238 HA SER 34 HA SER 34 -19.286 -10.261 -2.597 239 HB2 SER 34 HB2 SER 34 -17.637 -10.151 -0.682 240 HB3 SER 34 HB1 SER 34 -17.366 -8.463 -1.077 241 HG SER 34 HG SER 34 -19.284 -9.601 0.382 242 H ASN 35 HN ASN 35 -17.226 -8.309 -4.309 243 HA ASN 35 HA ASN 35 -19.353 -6.594 -5.216 244 HB2 ASN 35 HB2 ASN 35 -18.174 -5.335 -3.387 245 HB3 ASN 35 HB1 ASN 35 -16.693 -5.504 -4.300 246 HD21 ASN 35 HD21 ASN 35 -19.775 -3.884 -4.254 247 HD22 ASN 35 HD22 ASN 35 -19.401 -2.733 -5.470 248 H THR 36 HN THR 36 -19.256 -7.273 -7.276 249 HA THR 36 HA THR 36 -16.604 -7.830 -8.380 250 HB THR 36 HB THR 36 -19.228 -8.706 -9.617 251 HG1 THR 36 HG1 THR 36 -18.822 -9.222 -7.239 252 HG21 THR 36 HG21 THR 36 -16.463 -9.943 -9.503 253 HG22 THR 36 HG22 THR 36 -17.102 -9.035 -10.872 254 HG23 THR 36 HG23 THR 36 -17.838 -10.572 -10.409 255 H TYC 37 HN ATY 37 -18.099 -5.212 -8.087 256 HA TYC 37 HA ATY 37 -18.669 -4.415 -10.799 257 HB1 TYC 37 HB1 ATY 37 -19.047 -2.160 -9.773 258 HB2 TYC 37 HB2 ATY 37 -18.642 -2.853 -8.210 259 HD1 TYC 37 HD1 ATY 37 -20.340 -3.756 -6.880 260 HD2 TYC 37 HD2 ATY 37 -20.980 -3.307 -11.053 261 HE1 TYC 37 HE1 ATY 37 -22.691 -4.437 -6.595 262 HE2 TYC 37 HE2 ATY 37 -23.319 -3.983 -10.770 263 HH TYC 37 HH ATY 37 -24.627 -5.272 -9.245 264 HT21 TYC 37 HT21 ATY 37 -16.742 -4.657 -11.829 265 HT22 TYC 37 HT22 ATY 37 -15.383 -3.618 -11.561 Start of MODEL 18 1 H1 LYS 1 HT1 LYS 1 9.172 4.918 9.857 2 H2 LYS 1 HT2 LYS 1 10.009 6.396 9.692 3 H3 LYS 1 HT3 LYS 1 10.783 4.949 9.375 4 HA LYS 1 HA LYS 1 9.525 4.521 7.500 5 HB2 LYS 1 HB2 LYS 1 8.077 7.115 8.152 6 HB3 LYS 1 HB1 LYS 1 7.903 6.225 6.652 7 HG2 LYS 1 HG2 LYS 1 7.010 4.310 7.897 8 HG3 LYS 1 HG1 LYS 1 7.151 5.232 9.394 9 HD2 LYS 1 HD2 LYS 1 5.559 6.882 8.534 10 HD3 LYS 1 HD1 LYS 1 5.446 5.990 7.015 11 HE2 LYS 1 HE2 LYS 1 4.561 4.050 8.222 12 HE3 LYS 1 HE1 LYS 1 4.681 4.933 9.740 13 HZ1 LYS 1 HZ1 LYS 1 2.441 4.908 8.852 14 HZ2 LYS 1 HZ2 LYS 1 2.934 5.664 7.442 15 HZ3 LYS 1 HZ3 LYS 1 3.021 6.487 8.927 16 H CYS 2 HN CYS 2 9.942 5.635 5.393 17 HA CYS 2 HA CYS 2 11.903 7.756 5.613 18 HB2 CYS 2 HB2 CYS 2 13.304 6.506 3.920 19 HB3 CYS 2 HB1 CYS 2 13.310 5.838 5.554 20 H ASN 3 HN ASN 3 12.412 8.611 3.313 21 HA ASN 3 HA ASN 3 9.992 8.436 1.665 22 HB2 ASN 3 HB2 ASN 3 9.673 10.146 3.491 23 HB3 ASN 3 HB1 ASN 3 10.989 11.057 2.774 24 HD21 ASN 3 HD21 ASN 3 8.507 9.310 0.969 25 HD22 ASN 3 HD22 ASN 3 7.776 10.706 0.310 26 H THR 4 HN THR 4 13.043 8.025 1.491 27 HA THR 4 HA THR 4 13.564 9.825 -0.745 28 HB THR 4 HB THR 4 15.385 9.740 0.906 29 HG1 THR 4 HG1 THR 4 16.929 9.579 -0.550 30 HG21 THR 4 HG21 THR 4 14.895 7.520 1.814 31 HG22 THR 4 HG22 THR 4 16.603 7.667 1.360 32 HG23 THR 4 HG23 THR 4 15.467 6.799 0.312 33 H ALA 5 HN ALA 5 14.564 8.825 -2.667 34 HA ALA 5 HA ALA 5 12.874 6.768 -3.690 35 HB1 ALA 5 HB1 ALA 5 13.774 8.576 -5.111 36 HB2 ALA 5 HB2 ALA 5 14.146 6.972 -5.752 37 HB3 ALA 5 HB3 ALA 5 15.387 7.894 -4.901 38 H THR 6 HN THR 6 15.835 6.798 -2.089 39 HA THR 6 HA THR 6 16.765 4.247 -2.970 40 HB THR 6 HB THR 6 17.527 5.935 -0.574 41 HG1 THR 6 HG1 THR 6 19.077 6.808 -1.889 42 HG21 THR 6 HG21 THR 6 18.288 3.639 -0.389 43 HG22 THR 6 HG22 THR 6 19.664 4.714 -0.666 44 HG23 THR 6 HG23 THR 6 19.032 3.717 -1.988 45 H CYS 7 HN CYS 7 14.277 5.211 -0.838 46 HA CYS 7 HA CYS 7 14.577 2.732 0.767 47 HB2 CYS 7 HB2 CYS 7 15.294 4.944 1.718 48 HB3 CYS 7 HB1 CYS 7 13.646 5.324 1.757 49 H ALA 8 HN ALA 8 12.379 5.384 -0.169 50 HA ALA 8 HA ALA 8 10.069 4.314 0.937 51 HB1 ALA 8 HB1 ALA 8 10.442 6.167 -1.407 52 HB2 ALA 8 HB2 ALA 8 10.225 6.633 0.285 53 HB3 ALA 8 HB3 ALA 8 8.908 5.854 -0.599 54 H THR 9 HN THR 9 11.794 3.791 -1.882 55 HA THR 9 HA THR 9 9.761 2.557 -3.484 56 HB THR 9 HB THR 9 11.746 1.743 -4.778 57 HG1 THR 9 HG1 THR 9 13.597 3.307 -3.909 58 HG21 THR 9 HG21 THR 9 12.257 4.039 -5.601 59 HG22 THR 9 HG22 THR 9 11.493 4.698 -4.157 60 HG23 THR 9 HG23 THR 9 10.529 3.805 -5.330 61 H GLN 10 HN GLN 10 12.010 1.564 -1.185 62 HA GLN 10 HA GLN 10 11.894 -1.262 -1.660 63 HB2 GLN 10 HB2 GLN 10 12.793 0.077 0.886 64 HB3 GLN 10 HB1 GLN 10 13.277 -1.506 0.282 65 HG2 GLN 10 HG2 GLN 10 14.042 1.201 -0.777 66 HG3 GLN 10 HG1 GLN 10 15.089 0.020 0.003 67 HE21 GLN 10 HE21 GLN 10 15.183 1.341 -2.566 68 HE22 GLN 10 HE22 GLN 10 15.327 0.103 -3.763 69 H ARG 11 HN ARG 11 10.465 1.056 0.554 70 HA ARG 11 HA ARG 11 8.988 -0.937 1.899 71 HB2 ARG 11 HB2 ARG 11 7.728 0.792 3.040 72 HB3 ARG 11 HB1 ARG 11 9.427 1.233 2.984 73 HG2 ARG 11 HG2 ARG 11 8.167 3.225 2.685 74 HG3 ARG 11 HG1 ARG 11 8.864 2.788 1.123 75 HD2 ARG 11 HD2 ARG 11 6.545 3.507 0.813 76 HD3 ARG 11 HD1 ARG 11 6.803 1.782 0.469 77 HE ARG 11 HE ARG 11 6.004 1.572 2.923 78 HH11 ARG 11 HH11 ARG 11 4.610 3.716 0.461 79 HH12 ARG 11 HH12 ARG 11 3.021 3.572 1.057 80 HH21 ARG 11 HH21 ARG 11 3.847 1.381 3.715 81 HH22 ARG 11 HH22 ARG 11 2.568 2.197 2.950 82 H LEU 12 HN LEU 12 8.439 0.909 -0.967 83 HA LEU 12 HA LEU 12 5.779 0.289 -1.482 84 HB2 LEU 12 HB2 LEU 12 8.207 0.786 -3.051 85 HB3 LEU 12 HB1 LEU 12 6.836 0.387 -3.952 86 HG LEU 12 HG LEU 12 7.286 2.845 -2.255 87 HD11 LEU 12 HD11 LEU 12 6.851 4.020 -4.344 88 HD12 LEU 12 HD12 LEU 12 6.542 2.488 -5.151 89 HD13 LEU 12 HD13 LEU 12 8.159 2.856 -4.566 90 HD21 LEU 12 HD21 LEU 12 4.984 3.541 -2.848 91 HD22 LEU 12 HD22 LEU 12 5.017 2.156 -1.771 92 HD23 LEU 12 HD23 LEU 12 4.683 1.928 -3.489 93 H ALA 13 HN ALA 13 8.794 -1.396 -2.124 94 HA ALA 13 HA ALA 13 7.620 -3.521 -3.454 95 HB1 ALA 13 HB1 ALA 13 10.003 -3.044 -3.639 96 HB2 ALA 13 HB2 ALA 13 9.762 -4.702 -3.090 97 HB3 ALA 13 HB3 ALA 13 10.229 -3.449 -1.939 98 H ASN 14 HN ASN 14 8.100 -2.766 -0.114 99 HA ASN 14 HA ASN 14 7.467 -5.417 0.886 100 HB2 ASN 14 HB2 ASN 14 7.956 -2.844 2.372 101 HB3 ASN 14 HB1 ASN 14 7.452 -4.327 3.163 102 HD21 ASN 14 HD21 ASN 14 9.647 -3.923 0.534 103 HD22 ASN 14 HD22 ASN 14 11.068 -4.559 1.298 104 H PHE 15 HN PHE 15 5.477 -3.002 -0.331 105 HA PHE 15 HA PHE 15 3.560 -3.299 1.811 106 HB2 PHE 15 HB2 PHE 15 2.858 -1.224 1.172 107 HB3 PHE 15 HB1 PHE 15 4.259 -1.210 0.110 108 HD1 PHE 15 HD1 PHE 15 0.628 -1.569 0.310 109 HD2 PHE 15 HD2 PHE 15 3.970 -1.571 -2.305 110 HE1 PHE 15 HE1 PHE 15 -0.880 -1.327 -1.612 111 HE2 PHE 15 HE2 PHE 15 2.474 -1.332 -4.231 112 HZ PHE 15 HZ PHE 15 0.046 -1.208 -3.892 113 H LEU 16 HN LEU 16 4.519 -4.609 -1.109 114 HA LEU 16 HA LEU 16 2.018 -5.962 -1.247 115 HB2 LEU 16 HB2 LEU 16 1.724 -5.415 -3.289 116 HB3 LEU 16 HB1 LEU 16 2.627 -4.047 -2.829 117 HG LEU 16 HG LEU 16 3.789 -6.323 -4.457 118 HD11 LEU 16 HD11 LEU 16 3.793 -4.687 -6.280 119 HD12 LEU 16 HD12 LEU 16 2.938 -3.551 -5.236 120 HD13 LEU 16 HD13 LEU 16 2.165 -5.063 -5.712 121 HD21 LEU 16 HD21 LEU 16 5.689 -4.818 -4.804 122 HD22 LEU 16 HD22 LEU 16 5.484 -5.189 -3.093 123 HD23 LEU 16 HD23 LEU 16 4.951 -3.632 -3.727 124 H VAL 17 HN VAL 17 4.791 -6.536 -0.146 125 HA VAL 17 HA VAL 17 6.113 -8.302 -1.918 126 HB VAL 17 HB VAL 17 7.341 -7.039 -0.248 127 HG11 VAL 17 HG11 VAL 17 7.364 -7.514 2.115 128 HG12 VAL 17 HG12 VAL 17 6.169 -8.788 1.891 129 HG13 VAL 17 HG13 VAL 17 5.717 -7.126 1.594 130 HG21 VAL 17 HG21 VAL 17 8.812 -8.846 0.644 131 HG22 VAL 17 HG22 VAL 17 8.492 -8.910 -1.081 132 HG23 VAL 17 HG23 VAL 17 7.652 -10.021 0.001 133 H HIS 18 HN HIS 18 4.551 -9.117 1.127 134 HA HIS 18 HA HIS 18 3.650 -11.608 -0.175 135 HB2 HIS 18 HB2 HIS 18 4.161 -11.174 2.801 136 HB3 HIS 18 HB1 HIS 18 3.475 -12.622 2.090 137 HD1 HIS 18 HD1 HIS 18 5.119 -14.441 1.796 138 HD2 HIS 18 HD2 HIS 18 6.812 -10.681 1.615 139 HE1 HIS 18 HE1 HIS 18 7.588 -14.856 1.637 140 HE2 HIS 18 HE2 HIS 18 8.620 -12.567 1.741 141 H SER 19 HN SER 19 2.889 -8.629 0.818 142 HA SER 19 HA SER 19 0.404 -9.048 2.030 143 HB2 SER 19 HB2 SER 19 1.540 -6.618 0.683 144 HB3 SER 19 HB1 SER 19 0.148 -6.648 1.762 145 HG SER 19 HG SER 19 1.987 -7.838 3.091 146 H SER 20 HN SER 20 1.546 -9.258 -1.033 147 HA SER 20 HA SER 20 -0.343 -8.208 -2.756 148 HB2 SER 20 HB2 SER 20 0.661 -10.112 -4.205 149 HB3 SER 20 HB1 SER 20 1.696 -8.784 -3.643 150 HG SER 20 HG SER 20 2.479 -10.998 -3.307 151 H ASN 21 HN ASN 21 -0.500 -10.962 -0.804 152 HA ASN 21 HA ASN 21 -2.708 -12.176 -2.311 153 HB2 ASN 21 HB2 ASN 21 -0.694 -13.147 -0.373 154 HB3 ASN 21 HB1 ASN 21 -2.129 -14.142 -0.731 155 HD21 ASN 21 HD21 ASN 21 0.987 -13.015 -1.772 156 HD22 ASN 21 HD22 ASN 21 1.067 -13.928 -3.217 157 H ASN 22 HN ASN 22 -2.346 -9.968 0.164 158 HA ASN 22 HA ASN 22 -4.527 -11.102 1.702 159 HB2 ASN 22 HB2 ASN 22 -1.830 -10.694 2.427 160 HB3 ASN 22 HB1 ASN 22 -2.932 -9.703 3.388 161 HD21 ASN 22 HD21 ASN 22 -3.778 -12.712 1.842 162 HD22 ASN 22 HD22 ASN 22 -3.986 -13.620 3.250 163 H PHE 23 HN PHE 23 -2.675 -8.369 0.840 164 HA PHE 23 HA PHE 23 -3.923 -6.544 2.458 165 HB2 PHE 23 HB2 PHE 23 -2.401 -5.004 1.546 166 HB3 PHE 23 HB1 PHE 23 -1.757 -6.594 1.308 167 HD1 PHE 23 HD1 PHE 23 -1.907 -3.624 -0.272 168 HD2 PHE 23 HD2 PHE 23 -2.623 -7.684 -0.825 169 HE1 PHE 23 HE1 PHE 23 -1.476 -3.310 -2.676 170 HE2 PHE 23 HE2 PHE 23 -2.195 -7.498 -3.227 171 HZ PHE 23 HZ PHE 23 -1.614 -5.241 -4.193 172 H GLY 24 HN GLY 24 -5.877 -6.533 2.445 173 HA2 GLY 24 HA2 GLY 24 -8.073 -6.266 1.927 174 HA3 GLY 24 HA1 GLY 24 -7.668 -5.135 0.658 175 H ALA 25 HN ALA 25 -6.687 -8.453 1.015 176 HA ALA 25 HA ALA 25 -8.214 -9.179 -1.360 177 HB1 ALA 25 HB1 ALA 25 -6.653 -11.088 -1.499 178 HB2 ALA 25 HB2 ALA 25 -5.896 -10.549 -0.003 179 HB3 ALA 25 HB3 ALA 25 -5.770 -9.551 -1.454 180 H ILE 26 HN ILE 26 -7.251 -9.960 1.842 181 HA ILE 26 HA ILE 26 -9.342 -11.839 2.105 182 HB ILE 26 HB ILE 26 -7.286 -12.568 3.047 183 HG12 ILE 26 HG12 ILE 26 -8.823 -11.440 5.258 184 HG13 ILE 26 HG11 ILE 26 -9.380 -12.893 4.436 185 HG21 ILE 26 HG21 ILE 26 -6.097 -10.484 3.221 186 HG22 ILE 26 HG22 ILE 26 -6.084 -11.237 4.822 187 HG23 ILE 26 HG23 ILE 26 -7.205 -9.913 4.456 188 HD11 ILE 26 HD11 ILE 26 -6.873 -12.546 6.118 189 HD12 ILE 26 HD12 ILE 26 -7.213 -13.987 5.161 190 HD13 ILE 26 HD13 ILE 26 -8.272 -13.553 6.502 191 H LEU 27 HN LEU 27 -8.309 -8.675 3.217 192 HA LEU 27 HA LEU 27 -10.310 -8.226 5.129 193 HB2 LEU 27 HB2 LEU 27 -8.891 -6.481 5.497 194 HB3 LEU 27 HB1 LEU 27 -8.120 -6.885 3.981 195 HG LEU 27 HG LEU 27 -9.618 -5.276 2.810 196 HD11 LEU 27 HD11 LEU 27 -10.791 -3.605 4.042 197 HD12 LEU 27 HD12 LEU 27 -10.501 -4.473 5.566 198 HD13 LEU 27 HD13 LEU 27 -11.481 -5.207 4.274 199 HD21 LEU 27 HD21 LEU 27 -8.480 -3.269 3.612 200 HD22 LEU 27 HD22 LEU 27 -7.375 -4.636 3.469 201 HD23 LEU 27 HD23 LEU 27 -7.965 -4.142 5.054 202 H SER 28 HN SER 28 -10.010 -7.387 1.787 203 HA SER 28 HA SER 28 -12.634 -6.344 1.804 204 HB2 SER 28 HB2 SER 28 -10.765 -6.853 -0.477 205 HB3 SER 28 HB1 SER 28 -12.280 -5.935 -0.607 206 HG SER 28 HG SER 28 -10.688 -4.444 -0.231 207 H SER 29 HN SER 29 -11.089 -9.273 1.203 208 HA SER 29 HA SER 29 -11.739 -11.423 0.871 209 HB2 SER 29 HB2 SER 29 -14.523 -10.501 1.227 210 HB3 SER 29 HB1 SER 29 -13.852 -12.067 1.683 211 HG SER 29 HG SER 29 -12.459 -10.610 3.183 212 H THR 30 HN THR 30 -11.626 -9.622 -1.360 213 HA THR 30 HA THR 30 -13.783 -9.644 -3.094 214 HB THR 30 HB THR 30 -11.867 -9.084 -4.699 215 HG1 THR 30 HG1 THR 30 -9.875 -8.764 -3.640 216 HG21 THR 30 HG21 THR 30 -13.235 -7.398 -3.543 217 HG22 THR 30 HG22 THR 30 -11.535 -6.895 -3.579 218 HG23 THR 30 HG23 THR 30 -12.227 -7.603 -2.112 219 H ASN 31 HN ASN 31 -11.058 -11.720 -2.682 220 HA ASN 31 HA ASN 31 -11.958 -13.354 -4.929 221 HB2 ASN 31 HB2 ASN 31 -9.748 -14.460 -4.937 222 HB3 ASN 31 HB1 ASN 31 -9.613 -12.712 -5.114 223 HD21 ASN 31 HD21 ASN 31 -8.768 -11.511 -3.463 224 HD22 ASN 31 HD22 ASN 31 -7.969 -12.266 -2.138 225 H VAL 32 HN VAL 32 -12.540 -13.184 -1.873 226 HA VAL 32 HA VAL 32 -12.242 -16.012 -1.196 227 HB VAL 32 HB VAL 32 -13.379 -13.782 0.522 228 HG11 VAL 32 HG11 VAL 32 -13.979 -16.002 1.306 229 HG12 VAL 32 HG12 VAL 32 -12.827 -15.254 2.413 230 HG13 VAL 32 HG13 VAL 32 -12.285 -16.489 1.280 231 HG21 VAL 32 HG21 VAL 32 -10.535 -14.788 0.438 232 HG22 VAL 32 HG22 VAL 32 -11.178 -13.619 1.596 233 HG23 VAL 32 HG23 VAL 32 -11.100 -13.214 -0.119 234 H GLY 33 HN GLY 33 -14.452 -13.827 -2.511 235 HA2 GLY 33 HA2 GLY 33 -16.556 -14.259 -3.367 236 HA3 GLY 33 HA1 GLY 33 -16.501 -15.842 -2.595 237 H SER 34 HN SER 34 -15.780 -13.073 -0.748 238 HA SER 34 HA SER 34 -18.325 -13.398 0.677 239 HB2 SER 34 HB2 SER 34 -15.918 -11.913 1.722 240 HB3 SER 34 HB1 SER 34 -17.216 -12.673 2.629 241 HG SER 34 HG SER 34 -16.336 -14.681 1.537 242 H ASN 35 HN ASN 35 -15.883 -10.912 0.025 243 HA ASN 35 HA ASN 35 -15.881 -8.905 -0.822 244 HB2 ASN 35 HB2 ASN 35 -18.716 -9.487 -1.685 245 HB3 ASN 35 HB1 ASN 35 -17.886 -7.978 -2.088 246 HD21 ASN 35 HD21 ASN 35 -18.966 -10.002 -3.848 247 HD22 ASN 35 HD22 ASN 35 -17.655 -10.575 -4.798 248 H THR 36 HN THR 36 -15.467 -8.228 1.075 249 HA THR 36 HA THR 36 -17.680 -7.405 2.749 250 HB THR 36 HB THR 36 -14.828 -7.671 3.682 251 HG1 THR 36 HG1 THR 36 -14.972 -9.780 3.411 252 HG21 THR 36 HG21 THR 36 -15.950 -8.270 5.758 253 HG22 THR 36 HG22 THR 36 -17.501 -8.206 4.916 254 HG23 THR 36 HG23 THR 36 -16.572 -6.715 5.166 255 H TYC 37 HN ATY 37 -15.624 -6.235 0.591 256 HA TYC 37 HA ATY 37 -14.667 -4.285 -0.001 257 HB1 TYC 37 HB1 ATY 37 -16.132 -2.349 0.245 258 HB2 TYC 37 HB2 ATY 37 -17.179 -3.261 1.332 259 HD1 TYC 37 HD1 ATY 37 -16.248 -2.628 -2.118 260 HD2 TYC 37 HD2 ATY 37 -18.468 -5.207 0.428 261 HE1 TYC 37 HE1 ATY 37 -17.462 -3.485 -4.059 262 HE2 TYC 37 HE2 ATY 37 -19.693 -6.075 -1.518 263 HH TYC 37 HH ATY 37 -20.275 -5.266 -3.754 264 HT21 TYC 37 HT21 ATY 37 -12.781 -4.264 1.183 265 HT22 TYC 37 HT22 ATY 37 -12.574 -3.246 2.556 Start of MODEL 19 1 H1 LYS 1 HT1 LYS 1 10.112 3.835 9.501 2 H2 LYS 1 HT2 LYS 1 11.506 4.796 9.456 3 H3 LYS 1 HT3 LYS 1 11.276 3.599 8.307 4 HA LYS 1 HA LYS 1 9.441 4.760 7.353 5 HB2 LYS 1 HB2 LYS 1 8.651 5.786 9.489 6 HB3 LYS 1 HB1 LYS 1 10.045 6.851 9.467 7 HG2 LYS 1 HG2 LYS 1 9.246 7.812 7.344 8 HG3 LYS 1 HG1 LYS 1 7.817 6.789 7.446 9 HD2 LYS 1 HD2 LYS 1 7.183 7.868 9.545 10 HD3 LYS 1 HD1 LYS 1 8.626 8.881 9.467 11 HE2 LYS 1 HE2 LYS 1 6.365 8.853 7.461 12 HE3 LYS 1 HE1 LYS 1 6.639 10.086 8.687 13 HZ1 LYS 1 HZ1 LYS 1 8.739 10.642 7.605 14 HZ2 LYS 1 HZ2 LYS 1 7.461 10.763 6.508 15 HZ3 LYS 1 HZ3 LYS 1 8.487 9.441 6.450 16 H CYS 2 HN CYS 2 10.079 5.770 5.479 17 HA CYS 2 HA CYS 2 12.231 7.620 5.522 18 HB2 CYS 2 HB2 CYS 2 13.515 6.291 3.793 19 HB3 CYS 2 HB1 CYS 2 13.608 5.716 5.467 20 H ASN 3 HN ASN 3 12.539 8.616 3.371 21 HA ASN 3 HA ASN 3 10.154 8.307 1.704 22 HB2 ASN 3 HB2 ASN 3 9.697 10.006 3.521 23 HB3 ASN 3 HB1 ASN 3 10.981 10.988 2.839 24 HD21 ASN 3 HD21 ASN 3 8.663 9.122 0.936 25 HD22 ASN 3 HD22 ASN 3 7.882 10.479 0.232 26 H THR 4 HN THR 4 13.130 7.942 1.492 27 HA THR 4 HA THR 4 13.633 9.770 -0.730 28 HB THR 4 HB THR 4 15.484 9.578 0.891 29 HG1 THR 4 HG1 THR 4 16.695 9.827 -0.712 30 HG21 THR 4 HG21 THR 4 15.558 6.661 0.155 31 HG22 THR 4 HG22 THR 4 15.026 7.312 1.699 32 HG23 THR 4 HG23 THR 4 16.713 7.487 1.204 33 H ALA 5 HN ALA 5 14.471 8.832 -2.691 34 HA ALA 5 HA ALA 5 12.742 6.880 -3.768 35 HB1 ALA 5 HB1 ALA 5 15.308 7.950 -4.927 36 HB2 ALA 5 HB2 ALA 5 13.720 8.694 -5.096 37 HB3 ALA 5 HB3 ALA 5 14.034 7.113 -5.814 38 H THR 6 HN THR 6 15.698 6.652 -2.181 39 HA THR 6 HA THR 6 16.406 4.064 -3.211 40 HB THR 6 HB THR 6 17.471 5.735 -0.939 41 HG1 THR 6 HG1 THR 6 17.999 5.549 -3.687 42 HG21 THR 6 HG21 THR 6 19.488 4.337 -1.105 43 HG22 THR 6 HG22 THR 6 18.672 3.322 -2.309 44 HG23 THR 6 HG23 THR 6 18.057 3.412 -0.653 45 H CYS 7 HN CYS 7 14.174 5.169 -0.899 46 HA CYS 7 HA CYS 7 14.456 2.656 0.651 47 HB2 CYS 7 HB2 CYS 7 15.300 4.880 1.626 48 HB3 CYS 7 HB1 CYS 7 13.651 5.208 1.801 49 H ALA 8 HN ALA 8 12.292 5.355 -0.212 50 HA ALA 8 HA ALA 8 10.016 4.255 1.001 51 HB1 ALA 8 HB1 ALA 8 10.181 6.590 0.424 52 HB2 ALA 8 HB2 ALA 8 8.788 5.863 -0.385 53 HB3 ALA 8 HB3 ALA 8 10.273 6.193 -1.292 54 H THR 9 HN THR 9 11.711 3.720 -1.820 55 HA THR 9 HA THR 9 9.715 2.429 -3.418 56 HB THR 9 HB THR 9 11.779 1.527 -4.608 57 HG1 THR 9 HG1 THR 9 13.534 3.217 -3.849 58 HG21 THR 9 HG21 THR 9 10.501 3.502 -5.358 59 HG22 THR 9 HG22 THR 9 12.233 3.737 -5.616 60 HG23 THR 9 HG23 THR 9 11.433 4.513 -4.252 61 H GLN 10 HN GLN 10 11.901 1.533 -1.031 62 HA GLN 10 HA GLN 10 11.720 -1.332 -1.288 63 HB2 GLN 10 HB2 GLN 10 12.574 0.222 1.170 64 HB3 GLN 10 HB1 GLN 10 12.918 -1.463 0.810 65 HG2 GLN 10 HG2 GLN 10 13.964 0.918 -0.686 66 HG3 GLN 10 HG1 GLN 10 14.862 -0.066 0.464 67 HE21 GLN 10 HE21 GLN 10 15.147 0.549 -2.359 68 HE22 GLN 10 HE22 GLN 10 15.377 -0.957 -3.172 69 H ARG 11 HN ARG 11 10.310 1.209 0.547 70 HA ARG 11 HA ARG 11 8.589 -0.371 2.199 71 HB2 ARG 11 HB2 ARG 11 7.973 2.403 1.140 72 HB3 ARG 11 HB1 ARG 11 7.252 1.635 2.539 73 HG2 ARG 11 HG2 ARG 11 10.099 2.568 2.267 74 HG3 ARG 11 HG1 ARG 11 8.830 3.330 3.226 75 HD2 ARG 11 HD2 ARG 11 10.066 0.640 3.596 76 HD3 ARG 11 HD1 ARG 11 10.293 2.064 4.617 77 HE ARG 11 HE ARG 11 7.604 1.660 4.691 78 HH11 ARG 11 HH11 ARG 11 10.361 -0.397 5.571 79 HH12 ARG 11 HH12 ARG 11 9.458 -1.385 6.624 80 HH21 ARG 11 HH21 ARG 11 6.373 0.298 6.152 81 HH22 ARG 11 HH22 ARG 11 7.152 -0.967 6.971 82 H LEU 12 HN LEU 12 8.253 1.063 -0.976 83 HA LEU 12 HA LEU 12 5.675 0.237 -1.598 84 HB2 LEU 12 HB2 LEU 12 8.158 0.736 -3.076 85 HB3 LEU 12 HB1 LEU 12 6.814 0.315 -4.004 86 HG LEU 12 HG LEU 12 7.227 2.810 -2.344 87 HD11 LEU 12 HD11 LEU 12 6.816 3.970 -4.443 88 HD12 LEU 12 HD12 LEU 12 6.562 2.429 -5.253 89 HD13 LEU 12 HD13 LEU 12 8.151 2.827 -4.610 90 HD21 LEU 12 HD21 LEU 12 4.944 3.520 -2.961 91 HD22 LEU 12 HD22 LEU 12 4.945 2.130 -1.888 92 HD23 LEU 12 HD23 LEU 12 4.635 1.909 -3.612 93 H ALA 13 HN ALA 13 8.824 -1.324 -1.953 94 HA ALA 13 HA ALA 13 7.875 -3.596 -3.245 95 HB1 ALA 13 HB1 ALA 13 10.238 -2.961 -3.286 96 HB2 ALA 13 HB2 ALA 13 10.042 -4.619 -2.715 97 HB3 ALA 13 HB3 ALA 13 10.371 -3.324 -1.565 98 H ASN 14 HN ASN 14 8.121 -2.704 0.092 99 HA ASN 14 HA ASN 14 7.493 -5.309 1.222 100 HB2 ASN 14 HB2 ASN 14 7.592 -2.558 2.452 101 HB3 ASN 14 HB1 ASN 14 7.117 -4.005 3.326 102 HD21 ASN 14 HD21 ASN 14 9.646 -4.047 0.972 103 HD22 ASN 14 HD22 ASN 14 10.957 -4.243 2.058 104 H PHE 15 HN PHE 15 5.664 -3.034 -0.409 105 HA PHE 15 HA PHE 15 3.439 -3.081 1.396 106 HB2 PHE 15 HB2 PHE 15 3.440 -0.954 0.586 107 HB3 PHE 15 HB1 PHE 15 4.502 -1.398 -0.733 108 HD1 PHE 15 HD1 PHE 15 3.643 -1.855 -2.894 109 HD2 PHE 15 HD2 PHE 15 0.994 -1.045 0.326 110 HE1 PHE 15 HE1 PHE 15 1.825 -1.567 -4.491 111 HE2 PHE 15 HE2 PHE 15 -0.857 -0.745 -1.272 112 HZ PHE 15 HZ PHE 15 -0.449 -1.002 -3.686 113 H LEU 16 HN LEU 16 4.759 -4.548 -1.371 114 HA LEU 16 HA LEU 16 2.271 -5.941 -1.728 115 HB2 LEU 16 HB2 LEU 16 2.253 -5.465 -3.814 116 HB3 LEU 16 HB1 LEU 16 3.170 -4.125 -3.334 117 HG LEU 16 HG LEU 16 4.534 -6.557 -4.511 118 HD11 LEU 16 HD11 LEU 16 3.020 -5.591 -6.162 119 HD12 LEU 16 HD12 LEU 16 4.703 -5.263 -6.579 120 HD13 LEU 16 HD13 LEU 16 3.708 -3.994 -5.868 121 HD21 LEU 16 HD21 LEU 16 5.940 -5.093 -3.138 122 HD22 LEU 16 HD22 LEU 16 5.433 -3.711 -4.114 123 HD23 LEU 16 HD23 LEU 16 6.381 -5.010 -4.846 124 H VAL 17 HN VAL 17 4.856 -6.440 -0.244 125 HA VAL 17 HA VAL 17 6.401 -8.274 -1.737 126 HB VAL 17 HB VAL 17 7.345 -6.913 0.059 127 HG11 VAL 17 HG11 VAL 17 7.197 -7.541 2.414 128 HG12 VAL 17 HG12 VAL 17 5.967 -8.740 2.004 129 HG13 VAL 17 HG13 VAL 17 5.642 -7.040 1.746 130 HG21 VAL 17 HG21 VAL 17 8.753 -8.727 1.111 131 HG22 VAL 17 HG22 VAL 17 8.726 -8.590 -0.642 132 HG23 VAL 17 HG23 VAL 17 7.797 -9.867 0.138 133 H HIS 18 HN HIS 18 4.415 -9.031 1.067 134 HA HIS 18 HA HIS 18 3.952 -11.651 -0.210 135 HB2 HIS 18 HB2 HIS 18 4.137 -11.037 2.757 136 HB3 HIS 18 HB1 HIS 18 3.526 -12.549 2.104 137 HD1 HIS 18 HD1 HIS 18 5.256 -14.321 2.278 138 HD2 HIS 18 HD2 HIS 18 6.781 -10.593 1.508 139 HE1 HIS 18 HE1 HIS 18 7.736 -14.684 2.172 140 HE2 HIS 18 HE2 HIS 18 8.589 -12.481 1.318 141 H SER 19 HN SER 19 2.770 -8.789 0.281 142 HA SER 19 HA SER 19 0.377 -9.094 1.575 143 HB2 SER 19 HB2 SER 19 0.996 -7.143 -0.618 144 HB3 SER 19 HB1 SER 19 -0.186 -6.981 0.686 145 HG SER 19 HG SER 19 1.741 -5.853 1.055 146 H SER 20 HN SER 20 1.448 -10.121 -1.452 147 HA SER 20 HA SER 20 -0.709 -9.815 -3.232 148 HB2 SER 20 HB2 SER 20 1.402 -11.961 -3.217 149 HB3 SER 20 HB1 SER 20 0.534 -11.328 -4.619 150 HG SER 20 HG SER 20 1.492 -9.210 -3.856 151 H ASN 21 HN ASN 21 -0.761 -11.485 -0.519 152 HA ASN 21 HA ASN 21 -2.279 -13.808 -1.471 153 HB2 ASN 21 HB2 ASN 21 -0.811 -13.184 1.024 154 HB3 ASN 21 HB1 ASN 21 -2.021 -14.500 1.029 155 HD21 ASN 21 HD21 ASN 21 1.096 -13.413 0.152 156 HD22 ASN 21 HD22 ASN 21 1.683 -14.879 -0.537 157 H ASN 22 HN ASN 22 -2.681 -10.777 -0.380 158 HA ASN 22 HA ASN 22 -5.468 -11.259 0.341 159 HB2 ASN 22 HB2 ASN 22 -3.359 -9.653 1.613 160 HB3 ASN 22 HB1 ASN 22 -4.905 -8.849 1.538 161 HD21 ASN 22 HD21 ASN 22 -4.656 -12.336 1.828 162 HD22 ASN 22 HD22 ASN 22 -5.194 -12.443 3.441 163 H PHE 23 HN PHE 23 -3.081 -9.100 -0.754 164 HA PHE 23 HA PHE 23 -4.461 -7.258 -2.225 165 HB2 PHE 23 HB2 PHE 23 -1.887 -8.408 -2.063 166 HB3 PHE 23 HB1 PHE 23 -1.972 -7.516 -3.522 167 HD1 PHE 23 HD1 PHE 23 -1.410 -5.189 -3.285 168 HD2 PHE 23 HD2 PHE 23 -2.798 -7.339 0.099 169 HE1 PHE 23 HE1 PHE 23 -0.997 -3.227 -1.862 170 HE2 PHE 23 HE2 PHE 23 -2.394 -5.442 1.523 171 HZ PHE 23 HZ PHE 23 -1.482 -3.336 0.552 172 H GLY 24 HN GLY 24 -5.934 -7.867 -3.341 173 HA2 GLY 24 HA2 GLY 24 -7.240 -8.715 -4.986 174 HA3 GLY 24 HA1 GLY 24 -5.892 -8.789 -6.039 175 H ALA 25 HN ALA 25 -6.507 -10.397 -2.994 176 HA ALA 25 HA ALA 25 -6.585 -12.969 -4.367 177 HB1 ALA 25 HB1 ALA 25 -6.022 -12.235 -1.486 178 HB2 ALA 25 HB2 ALA 25 -4.828 -12.717 -2.674 179 HB3 ALA 25 HB3 ALA 25 -6.044 -13.879 -2.125 180 H ILE 26 HN ILE 26 -7.729 -11.200 -1.668 181 HA ILE 26 HA ILE 26 -10.267 -12.412 -1.723 182 HB ILE 26 HB ILE 26 -9.533 -11.947 0.452 183 HG12 ILE 26 HG12 ILE 26 -11.135 -9.581 -0.284 184 HG13 ILE 26 HG11 ILE 26 -11.863 -11.153 0.054 185 HG21 ILE 26 HG21 ILE 26 -8.666 -9.251 -0.538 186 HG22 ILE 26 HG22 ILE 26 -7.624 -10.545 0.043 187 HG23 ILE 26 HG23 ILE 26 -8.672 -9.679 1.170 188 HD11 ILE 26 HD11 ILE 26 -10.392 -9.362 2.007 189 HD12 ILE 26 HD12 ILE 26 -10.978 -10.982 2.386 190 HD13 ILE 26 HD13 ILE 26 -12.123 -9.697 1.998 191 H LEU 27 HN LEU 27 -8.689 -9.427 -2.588 192 HA LEU 27 HA LEU 27 -10.900 -7.856 -3.257 193 HB2 LEU 27 HB2 LEU 27 -9.103 -6.561 -3.032 194 HB3 LEU 27 HB1 LEU 27 -7.997 -7.819 -3.472 195 HG LEU 27 HG LEU 27 -8.396 -7.263 -5.886 196 HD11 LEU 27 HD11 LEU 27 -10.586 -6.306 -5.701 197 HD12 LEU 27 HD12 LEU 27 -9.407 -5.258 -6.503 198 HD13 LEU 27 HD13 LEU 27 -9.903 -4.910 -4.828 199 HD21 LEU 27 HD21 LEU 27 -7.480 -4.985 -4.163 200 HD22 LEU 27 HD22 LEU 27 -7.133 -5.202 -5.876 201 HD23 LEU 27 HD23 LEU 27 -6.499 -6.352 -4.699 202 H SER 28 HN SER 28 -8.934 -10.041 -5.058 203 HA SER 28 HA SER 28 -10.512 -9.472 -7.439 204 HB2 SER 28 HB2 SER 28 -8.036 -9.618 -7.650 205 HB3 SER 28 HB1 SER 28 -8.127 -11.325 -7.245 206 HG SER 28 HG SER 28 -9.467 -11.584 -9.103 207 H SER 29 HN SER 29 -10.940 -11.431 -4.882 208 HA SER 29 HA SER 29 -12.092 -13.304 -4.390 209 HB2 SER 29 HB2 SER 29 -13.419 -12.605 -7.006 210 HB3 SER 29 HB1 SER 29 -14.102 -13.685 -5.790 211 HG SER 29 HG SER 29 -14.327 -12.026 -4.400 212 H THR 30 HN THR 30 -9.622 -13.857 -5.629 213 HA THR 30 HA THR 30 -10.136 -16.027 -7.507 214 HB THR 30 HB THR 30 -7.615 -15.792 -7.829 215 HG1 THR 30 HG1 THR 30 -6.704 -13.973 -7.029 216 HG21 THR 30 HG21 THR 30 -7.969 -13.843 -9.312 217 HG22 THR 30 HG22 THR 30 -9.500 -13.560 -8.440 218 HG23 THR 30 HG23 THR 30 -9.297 -15.023 -9.391 219 H ASN 31 HN ASN 31 -10.088 -15.807 -4.416 220 HA ASN 31 HA ASN 31 -8.144 -17.959 -3.963 221 HB2 ASN 31 HB2 ASN 31 -9.329 -15.973 -2.062 222 HB3 ASN 31 HB1 ASN 31 -8.651 -17.479 -1.456 223 HD21 ASN 31 HD21 ASN 31 -7.349 -15.926 -4.279 224 HD22 ASN 31 HD22 ASN 31 -5.876 -15.394 -3.564 225 H VAL 32 HN VAL 32 -11.219 -17.840 -4.731 226 HA VAL 32 HA VAL 32 -12.240 -19.819 -2.890 227 HB VAL 32 HB VAL 32 -13.386 -19.175 -5.608 228 HG11 VAL 32 HG11 VAL 32 -14.375 -21.077 -4.505 229 HG12 VAL 32 HG12 VAL 32 -15.527 -19.748 -4.637 230 HG13 VAL 32 HG13 VAL 32 -14.748 -20.080 -3.096 231 HG21 VAL 32 HG21 VAL 32 -13.846 -17.601 -3.074 232 HG22 VAL 32 HG22 VAL 32 -14.771 -17.428 -4.569 233 HG23 VAL 32 HG23 VAL 32 -13.057 -17.038 -4.551 234 H GLY 33 HN GLY 33 -10.666 -19.650 -5.970 235 HA2 GLY 33 HA2 GLY 33 -9.314 -21.881 -6.123 236 HA3 GLY 33 HA1 GLY 33 -10.928 -22.525 -6.403 237 H SER 34 HN SER 34 -11.741 -20.040 -7.741 238 HA SER 34 HA SER 34 -11.979 -19.193 -9.816 239 HB2 SER 34 HB2 SER 34 -9.040 -19.874 -10.082 240 HB3 SER 34 HB1 SER 34 -9.992 -18.806 -11.127 241 HG SER 34 HG SER 34 -10.454 -17.608 -9.139 242 H ASN 35 HN ASN 35 -12.580 -21.818 -9.357 243 HA ASN 35 HA ASN 35 -11.669 -23.451 -11.540 244 HB2 ASN 35 HB2 ASN 35 -12.127 -24.478 -9.334 245 HB3 ASN 35 HB1 ASN 35 -13.819 -24.036 -9.491 246 HD21 ASN 35 HD21 ASN 35 -11.315 -26.180 -10.656 247 HD22 ASN 35 HD22 ASN 35 -12.365 -27.285 -11.443 248 H THR 36 HN THR 36 -12.286 -22.404 -13.267 249 HA THR 36 HA THR 36 -15.066 -21.868 -13.857 250 HB THR 36 HB THR 36 -14.063 -21.168 -16.072 251 HG1 THR 36 HG1 THR 36 -11.686 -20.960 -15.900 252 HG21 THR 36 HG21 THR 36 -12.934 -19.169 -15.170 253 HG22 THR 36 HG22 THR 36 -12.806 -19.950 -13.596 254 HG23 THR 36 HG23 THR 36 -14.390 -19.527 -14.243 255 H TYC 37 HN ATY 37 -13.253 -24.444 -13.741 256 HA TYC 37 HA ATY 37 -13.666 -25.735 -16.266 257 HB1 TYC 37 HB1 ATY 37 -12.573 -27.674 -15.224 258 HB2 TYC 37 HB2 ATY 37 -12.662 -26.885 -13.655 259 HD1 TYC 37 HD1 ATY 37 -11.096 -25.185 -13.024 260 HD2 TYC 37 HD2 ATY 37 -11.027 -26.793 -16.961 261 HE1 TYC 37 HE1 ATY 37 -8.920 -24.114 -13.417 262 HE2 TYC 37 HE2 ATY 37 -8.845 -25.727 -17.360 263 HH TYC 37 HH ATY 37 -6.961 -24.449 -14.873 264 HT21 TYC 37 HT21 ATY 37 -15.746 -26.036 -16.660 265 HT22 TYC 37 HT22 ATY 37 -16.817 -27.001 -15.709 Start of MODEL 20 1 H1 LYS 1 HT1 LYS 1 9.981 5.757 10.398 2 H2 LYS 1 HT2 LYS 1 10.562 7.243 9.799 3 H3 LYS 1 HT3 LYS 1 11.582 5.922 9.869 4 HA LYS 1 HA LYS 1 10.355 4.772 8.223 5 HB2 LYS 1 HB2 LYS 1 8.488 5.851 7.079 6 HB3 LYS 1 HB1 LYS 1 8.141 5.784 8.794 7 HG2 LYS 1 HG2 LYS 1 8.687 8.142 9.023 8 HG3 LYS 1 HG1 LYS 1 9.146 8.211 7.319 9 HD2 LYS 1 HD2 LYS 1 6.856 7.533 6.709 10 HD3 LYS 1 HD1 LYS 1 6.415 7.570 8.412 11 HE2 LYS 1 HE2 LYS 1 6.895 9.953 8.504 12 HE3 LYS 1 HE1 LYS 1 7.428 9.925 6.822 13 HZ1 LYS 1 HZ1 LYS 1 4.679 9.328 7.776 14 HZ2 LYS 1 HZ2 LYS 1 5.191 9.212 6.196 15 HZ3 LYS 1 HZ3 LYS 1 5.160 10.721 6.943 16 H CYS 2 HN CYS 2 10.329 5.707 5.767 17 HA CYS 2 HA CYS 2 12.261 7.858 5.587 18 HB2 CYS 2 HB2 CYS 2 13.393 6.538 3.753 19 HB3 CYS 2 HB1 CYS 2 13.676 5.956 5.400 20 H ASN 3 HN ASN 3 12.441 8.603 3.247 21 HA ASN 3 HA ASN 3 10.010 8.182 1.719 22 HB2 ASN 3 HB2 ASN 3 9.434 10.593 1.664 23 HB3 ASN 3 HB1 ASN 3 9.258 9.882 3.268 24 HD21 ASN 3 HD21 ASN 3 10.981 12.173 1.321 25 HD22 ASN 3 HD22 ASN 3 11.868 12.899 2.616 26 H THR 4 HN THR 4 13.000 7.988 1.457 27 HA THR 4 HA THR 4 13.357 9.823 -0.783 28 HB THR 4 HB THR 4 15.211 9.814 0.858 29 HG1 THR 4 HG1 THR 4 15.956 10.255 -1.099 30 HG21 THR 4 HG21 THR 4 16.616 7.831 1.176 31 HG22 THR 4 HG22 THR 4 15.533 6.909 0.128 32 HG23 THR 4 HG23 THR 4 14.949 7.524 1.671 33 H ALA 5 HN ALA 5 14.339 8.895 -2.721 34 HA ALA 5 HA ALA 5 12.761 6.797 -3.745 35 HB1 ALA 5 HB1 ALA 5 15.252 8.025 -4.918 36 HB2 ALA 5 HB2 ALA 5 13.609 8.630 -5.134 37 HB3 ALA 5 HB3 ALA 5 14.065 7.058 -5.792 38 H THR 6 HN THR 6 15.756 6.826 -2.124 39 HA THR 6 HA THR 6 16.716 4.301 -3.068 40 HB THR 6 HB THR 6 17.419 5.885 -0.596 41 HG1 THR 6 HG1 THR 6 18.198 6.099 -3.294 42 HG21 THR 6 HG21 THR 6 18.993 3.823 -2.160 43 HG22 THR 6 HG22 THR 6 18.253 3.615 -0.569 44 HG23 THR 6 HG23 THR 6 19.593 4.749 -0.769 45 H CYS 7 HN CYS 7 14.220 5.203 -0.923 46 HA CYS 7 HA CYS 7 14.600 2.761 0.699 47 HB2 CYS 7 HB2 CYS 7 15.317 4.976 1.596 48 HB3 CYS 7 HB1 CYS 7 13.662 5.348 1.712 49 H ALA 8 HN ALA 8 12.314 5.378 -0.189 50 HA ALA 8 HA ALA 8 10.103 4.155 0.963 51 HB1 ALA 8 HB1 ALA 8 10.158 6.511 0.424 52 HB2 ALA 8 HB2 ALA 8 8.786 5.742 -0.378 53 HB3 ALA 8 HB3 ALA 8 10.241 6.146 -1.300 54 H THR 9 HN THR 9 11.792 3.722 -1.923 55 HA THR 9 HA THR 9 9.798 2.439 -3.529 56 HB THR 9 HB THR 9 11.811 1.490 -4.683 57 HG1 THR 9 HG1 THR 9 13.629 3.189 -3.858 58 HG21 THR 9 HG21 THR 9 12.388 3.676 -5.691 59 HG22 THR 9 HG22 THR 9 11.599 4.486 -4.338 60 HG23 THR 9 HG23 THR 9 10.652 3.490 -5.448 61 H GLN 10 HN GLN 10 12.022 1.461 -1.182 62 HA GLN 10 HA GLN 10 11.880 -1.392 -1.505 63 HB2 GLN 10 HB2 GLN 10 12.689 0.128 0.970 64 HB3 GLN 10 HB1 GLN 10 13.182 -1.504 0.516 65 HG2 GLN 10 HG2 GLN 10 13.963 1.070 -0.828 66 HG3 GLN 10 HG1 GLN 10 14.969 0.106 0.241 67 HE21 GLN 10 HE21 GLN 10 15.257 0.980 -2.502 68 HE22 GLN 10 HE22 GLN 10 15.599 -0.419 -3.440 69 H ARG 11 HN ARG 11 10.453 1.067 0.468 70 HA ARG 11 HA ARG 11 8.877 -0.612 2.191 71 HB2 ARG 11 HB2 ARG 11 8.116 2.181 1.332 72 HB3 ARG 11 HB1 ARG 11 7.757 1.392 2.857 73 HG2 ARG 11 HG2 ARG 11 10.489 2.273 1.954 74 HG3 ARG 11 HG1 ARG 11 9.452 3.174 3.048 75 HD2 ARG 11 HD2 ARG 11 10.504 0.396 3.553 76 HD3 ARG 11 HD1 ARG 11 11.246 1.883 4.145 77 HE ARG 11 HE ARG 11 8.476 1.550 4.855 78 HH11 ARG 11 HH11 ARG 11 11.817 0.924 5.836 79 HH12 ARG 11 HH12 ARG 11 11.451 0.831 7.497 80 HH21 ARG 11 HH21 ARG 11 7.996 1.430 7.133 81 HH22 ARG 11 HH22 ARG 11 9.240 1.086 8.242 82 H LEU 12 HN LEU 12 8.372 0.966 -0.885 83 HA LEU 12 HA LEU 12 5.767 0.185 -1.423 84 HB2 LEU 12 HB2 LEU 12 8.181 0.746 -2.974 85 HB3 LEU 12 HB1 LEU 12 6.809 0.376 -3.881 86 HG LEU 12 HG LEU 12 7.319 2.778 -2.140 87 HD11 LEU 12 HD11 LEU 12 6.673 4.009 -4.148 88 HD12 LEU 12 HD12 LEU 12 6.386 2.486 -4.983 89 HD13 LEU 12 HD13 LEU 12 8.014 2.909 -4.456 90 HD21 LEU 12 HD21 LEU 12 4.616 1.907 -3.166 91 HD22 LEU 12 HD22 LEU 12 4.987 3.488 -2.480 92 HD23 LEU 12 HD23 LEU 12 5.097 2.055 -1.472 93 H ALA 13 HN ALA 13 8.859 -1.419 -1.984 94 HA ALA 13 HA ALA 13 7.759 -3.584 -3.320 95 HB1 ALA 13 HB1 ALA 13 10.145 -3.068 -3.440 96 HB2 ALA 13 HB2 ALA 13 9.907 -4.734 -2.912 97 HB3 ALA 13 HB3 ALA 13 10.334 -3.488 -1.737 98 H ASN 14 HN ASN 14 8.152 -2.790 -0.012 99 HA ASN 14 HA ASN 14 7.450 -5.372 1.093 100 HB2 ASN 14 HB2 ASN 14 7.785 -2.658 2.374 101 HB3 ASN 14 HB1 ASN 14 7.302 -4.101 3.255 102 HD21 ASN 14 HD21 ASN 14 9.590 -4.304 0.688 103 HD22 ASN 14 HD22 ASN 14 10.987 -4.586 1.659 104 H PHE 15 HN PHE 15 5.656 -2.968 -0.399 105 HA PHE 15 HA PHE 15 3.413 -3.098 1.420 106 HB2 PHE 15 HB2 PHE 15 3.226 -0.962 0.705 107 HB3 PHE 15 HB1 PHE 15 4.498 -1.247 -0.475 108 HD1 PHE 15 HD1 PHE 15 3.913 -1.817 -2.797 109 HD2 PHE 15 HD2 PHE 15 0.889 -0.944 0.064 110 HE1 PHE 15 HE1 PHE 15 2.308 -1.520 -4.610 111 HE2 PHE 15 HE2 PHE 15 -0.740 -0.650 -1.757 112 HZ PHE 15 HZ PHE 15 -0.027 -0.936 -4.103 113 H LEU 16 HN LEU 16 4.717 -4.613 -1.267 114 HA LEU 16 HA LEU 16 2.183 -5.868 -1.772 115 HB2 LEU 16 HB2 LEU 16 2.214 -5.190 -3.812 116 HB3 LEU 16 HB1 LEU 16 3.361 -4.056 -3.304 117 HG LEU 16 HG LEU 16 4.265 -6.641 -4.594 118 HD11 LEU 16 HD11 LEU 16 2.933 -5.368 -6.181 119 HD12 LEU 16 HD12 LEU 16 4.643 -5.286 -6.607 120 HD13 LEU 16 HD13 LEU 16 3.861 -3.916 -5.814 121 HD21 LEU 16 HD21 LEU 16 6.362 -5.421 -4.900 122 HD22 LEU 16 HD22 LEU 16 5.927 -5.502 -3.191 123 HD23 LEU 16 HD23 LEU 16 5.660 -4.014 -4.100 124 H VAL 17 HN VAL 17 4.647 -6.472 -0.201 125 HA VAL 17 HA VAL 17 6.054 -8.451 -1.671 126 HB VAL 17 HB VAL 17 7.197 -7.071 -0.015 127 HG11 VAL 17 HG11 VAL 17 5.542 -6.935 1.735 128 HG12 VAL 17 HG12 VAL 17 7.097 -7.462 2.371 129 HG13 VAL 17 HG13 VAL 17 5.797 -8.624 2.147 130 HG21 VAL 17 HG21 VAL 17 8.541 -8.870 1.056 131 HG22 VAL 17 HG22 VAL 17 8.322 -8.998 -0.690 132 HG23 VAL 17 HG23 VAL 17 7.385 -10.035 0.383 133 H HIS 18 HN HIS 18 4.205 -8.913 1.293 134 HA HIS 18 HA HIS 18 3.429 -11.572 0.210 135 HB2 HIS 18 HB2 HIS 18 3.661 -10.827 3.156 136 HB3 HIS 18 HB1 HIS 18 3.035 -12.337 2.534 137 HD1 HIS 18 HD1 HIS 18 4.665 -14.126 2.882 138 HD2 HIS 18 HD2 HIS 18 6.388 -10.525 1.917 139 HE1 HIS 18 HE1 HIS 18 7.153 -14.592 2.898 140 HE2 HIS 18 HE2 HIS 18 8.151 -12.462 1.996 141 H SER 19 HN SER 19 2.552 -8.536 0.739 142 HA SER 19 HA SER 19 0.136 -8.409 1.989 143 HB2 SER 19 HB2 SER 19 0.974 -6.899 -0.420 144 HB3 SER 19 HB1 SER 19 0.087 -6.332 1.000 145 HG SER 19 HG SER 19 1.923 -5.801 1.776 146 H SER 20 HN SER 20 1.054 -9.668 -0.943 147 HA SER 20 HA SER 20 -1.072 -9.307 -2.702 148 HB2 SER 20 HB2 SER 20 0.603 -11.787 -2.562 149 HB3 SER 20 HB1 SER 20 -0.053 -10.982 -3.988 150 HG SER 20 HG SER 20 2.287 -10.668 -3.146 151 H ASN 21 HN ASN 21 -0.865 -11.274 0.043 152 HA ASN 21 HA ASN 21 -3.028 -13.051 -0.798 153 HB2 ASN 21 HB2 ASN 21 -0.944 -13.107 1.288 154 HB3 ASN 21 HB1 ASN 21 -2.278 -14.296 1.333 155 HD21 ASN 21 HD21 ASN 21 0.770 -13.405 0.096 156 HD22 ASN 21 HD22 ASN 21 0.987 -14.697 -1.013 157 H ASN 22 HN ASN 22 -2.780 -10.070 0.768 158 HA ASN 22 HA ASN 22 -4.956 -10.712 2.569 159 HB2 ASN 22 HB2 ASN 22 -2.293 -10.045 3.226 160 HB3 ASN 22 HB1 ASN 22 -3.449 -8.794 3.722 161 HD21 ASN 22 HD21 ASN 22 -4.174 -12.137 3.272 162 HD22 ASN 22 HD22 ASN 22 -4.526 -12.522 4.863 163 H PHE 23 HN PHE 23 -3.082 -8.343 1.000 164 HA PHE 23 HA PHE 23 -4.267 -6.077 1.879 165 HB2 PHE 23 HB2 PHE 23 -2.924 -4.971 0.245 166 HB3 PHE 23 HB1 PHE 23 -2.182 -6.474 0.736 167 HD1 PHE 23 HD1 PHE 23 -1.760 -4.716 -1.792 168 HD2 PHE 23 HD2 PHE 23 -3.745 -8.304 -0.916 169 HE1 PHE 23 HE1 PHE 23 -1.375 -5.440 -4.090 170 HE2 PHE 23 HE2 PHE 23 -3.402 -9.098 -3.216 171 HZ PHE 23 HZ PHE 23 -2.209 -7.641 -4.847 172 H GLY 24 HN GLY 24 -6.268 -6.096 2.004 173 HA2 GLY 24 HA2 GLY 24 -8.504 -6.052 1.596 174 HA3 GLY 24 HA1 GLY 24 -8.254 -5.259 0.083 175 H ALA 25 HN ALA 25 -7.117 -8.409 1.099 176 HA ALA 25 HA ALA 25 -8.556 -9.642 -1.106 177 HB1 ALA 25 HB1 ALA 25 -7.045 -11.547 -0.653 178 HB2 ALA 25 HB2 ALA 25 -6.415 -10.674 0.745 179 HB3 ALA 25 HB3 ALA 25 -6.137 -10.039 -0.879 180 H ILE 26 HN ILE 26 -7.841 -9.719 2.229 181 HA ILE 26 HA ILE 26 -9.893 -11.525 2.777 182 HB ILE 26 HB ILE 26 -7.973 -11.944 4.043 183 HG12 ILE 26 HG12 ILE 26 -9.667 -10.266 5.776 184 HG13 ILE 26 HG11 ILE 26 -10.087 -11.933 5.393 185 HG21 ILE 26 HG21 ILE 26 -7.884 -8.999 4.625 186 HG22 ILE 26 HG22 ILE 26 -6.720 -9.934 3.679 187 HG23 ILE 26 HG23 ILE 26 -6.829 -10.167 5.427 188 HD11 ILE 26 HD11 ILE 26 -9.111 -11.835 7.633 189 HD12 ILE 26 HD12 ILE 26 -7.707 -10.966 7.008 190 HD13 ILE 26 HD13 ILE 26 -7.980 -12.647 6.553 191 H LEU 27 HN LEU 27 -9.020 -8.182 3.280 192 HA LEU 27 HA LEU 27 -11.179 -7.321 4.801 193 HB2 LEU 27 HB2 LEU 27 -9.703 -5.644 4.827 194 HB3 LEU 27 HB1 LEU 27 -8.951 -6.279 3.395 195 HG LEU 27 HG LEU 27 -10.506 -4.925 2.002 196 HD11 LEU 27 HD11 LEU 27 -11.327 -3.678 4.607 197 HD12 LEU 27 HD12 LEU 27 -12.336 -4.681 3.532 198 HD13 LEU 27 HD13 LEU 27 -11.702 -3.128 2.962 199 HD21 LEU 27 HD21 LEU 27 -9.442 -2.793 2.466 200 HD22 LEU 27 HD22 LEU 27 -8.290 -4.130 2.513 201 HD23 LEU 27 HD23 LEU 27 -8.881 -3.417 4.013 202 H SER 28 HN SER 28 -10.694 -7.360 1.340 203 HA SER 28 HA SER 28 -13.371 -6.389 1.000 204 HB2 SER 28 HB2 SER 28 -11.712 -5.624 -0.623 205 HB3 SER 28 HB1 SER 28 -11.401 -7.280 -1.129 206 HG SER 28 HG SER 28 -13.901 -5.972 -1.364 207 H SER 29 HN SER 29 -12.032 -9.343 1.597 208 HA SER 29 HA SER 29 -12.646 -11.482 1.598 209 HB2 SER 29 HB2 SER 29 -15.360 -10.354 1.109 210 HB3 SER 29 HB1 SER 29 -15.045 -11.974 1.731 211 HG SER 29 HG SER 29 -15.344 -9.801 3.114 212 H THR 30 HN THR 30 -12.220 -9.997 -0.985 213 HA THR 30 HA THR 30 -13.635 -11.257 -3.053 214 HB THR 30 HB THR 30 -12.441 -9.146 -3.422 215 HG1 THR 30 HG1 THR 30 -10.971 -9.949 -5.206 216 HG21 THR 30 HG21 THR 30 -10.569 -9.422 -1.912 217 HG22 THR 30 HG22 THR 30 -9.949 -9.074 -3.529 218 HG23 THR 30 HG23 THR 30 -9.920 -10.724 -2.896 219 H ASN 31 HN ASN 31 -10.849 -12.078 -1.182 220 HA ASN 31 HA ASN 31 -10.351 -14.394 -2.883 221 HB2 ASN 31 HB2 ASN 31 -8.408 -12.943 -2.441 222 HB3 ASN 31 HB1 ASN 31 -8.623 -13.165 -0.715 223 HD21 ASN 31 HD21 ASN 31 -7.943 -14.992 0.185 224 HD22 ASN 31 HD22 ASN 31 -6.966 -16.201 -0.577 225 H VAL 32 HN VAL 32 -11.741 -13.493 -0.034 226 HA VAL 32 HA VAL 32 -11.636 -15.988 1.361 227 HB VAL 32 HB VAL 32 -13.684 -13.739 1.566 228 HG11 VAL 32 HG11 VAL 32 -14.242 -14.660 3.767 229 HG12 VAL 32 HG12 VAL 32 -13.131 -15.999 3.490 230 HG13 VAL 32 HG13 VAL 32 -14.570 -15.824 2.482 231 HG21 VAL 32 HG21 VAL 32 -11.406 -13.026 2.083 232 HG22 VAL 32 HG22 VAL 32 -11.280 -14.305 3.293 233 HG23 VAL 32 HG23 VAL 32 -12.442 -12.995 3.508 234 H GLY 33 HN GLY 33 -13.557 -14.561 -1.117 235 HA2 GLY 33 HA2 GLY 33 -14.516 -16.016 -2.784 236 HA3 GLY 33 HA1 GLY 33 -14.922 -17.141 -1.492 237 H SER 34 HN SER 34 -15.495 -14.033 -0.456 238 HA SER 34 HA SER 34 -18.320 -14.529 -0.470 239 HB2 SER 34 HB2 SER 34 -16.859 -12.026 0.375 240 HB3 SER 34 HB1 SER 34 -18.470 -12.539 0.879 241 HG SER 34 HG SER 34 -17.332 -14.488 1.708 242 H ASN 35 HN ASN 35 -16.214 -13.158 -2.635 243 HA ASN 35 HA ASN 35 -17.830 -11.048 -3.707 244 HB2 ASN 35 HB2 ASN 35 -15.404 -10.967 -3.872 245 HB3 ASN 35 HB1 ASN 35 -15.391 -12.433 -4.846 246 HD21 ASN 35 HD21 ASN 35 -14.420 -11.505 -6.570 247 HD22 ASN 35 HD22 ASN 35 -15.151 -10.337 -7.597 248 H THR 36 HN THR 36 -17.550 -14.454 -4.279 249 HA THR 36 HA THR 36 -18.837 -14.242 -6.833 250 HB THR 36 HB THR 36 -18.580 -16.825 -6.718 251 HG1 THR 36 HG1 THR 36 -16.433 -16.722 -5.161 252 HG21 THR 36 HG21 THR 36 -16.166 -15.010 -6.752 253 HG22 THR 36 HG22 THR 36 -17.218 -15.337 -8.124 254 HG23 THR 36 HG23 THR 36 -16.240 -16.634 -7.431 255 H TYC 37 HN ATY 37 -19.961 -13.992 -3.939 256 HA TYC 37 HA ATY 37 -22.418 -15.496 -4.432 257 HB1 TYC 37 HB1 ATY 37 -23.026 -14.740 -2.081 258 HB2 TYC 37 HB2 ATY 37 -21.399 -14.094 -1.946 259 HD1 TYC 37 HD1 ATY 37 -19.463 -15.602 -1.827 260 HD2 TYC 37 HD2 ATY 37 -23.429 -17.099 -1.914 261 HE1 TYC 37 HE1 ATY 37 -18.653 -17.772 -1.005 262 HE2 TYC 37 HE2 ATY 37 -22.638 -19.282 -1.097 263 HH TYC 37 HH ATY 37 -19.558 -19.662 0.209 264 HT21 TYC 37 HT21 ATY 37 -23.196 -14.189 -6.039 265 HT22 TYC 37 HT22 ATY 37 -23.763 -12.577 -5.785
Contact the webmaster for help, if required. Friday, July 5, 2024 12:55:20 AM GMT (wattos1)