NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
600873 | 2nbh | 25976 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 10 1H LYS 10 -40.599 -7.410 5.858 2 H2 LYS 10 2H LYS 10 -40.624 -6.117 6.941 3 H3 LYS 10 3H LYS 10 -39.335 -7.217 6.968 4 HA LYS 10 HA LYS 10 -38.623 -6.525 4.805 5 HB2 LYS 10 1HB LYS 10 -40.983 -5.933 4.078 6 HB3 LYS 10 2HB LYS 10 -40.786 -4.418 4.947 7 HG2 LYS 10 1HG LYS 10 -38.864 -3.868 3.512 8 HG3 LYS 10 2HG LYS 10 -39.132 -5.363 2.613 9 HD2 LYS 10 1HD LYS 10 -41.415 -4.561 2.058 10 HD3 LYS 10 2HD LYS 10 -41.037 -3.036 2.859 11 HE2 LYS 10 1HE LYS 10 -39.634 -4.192 0.452 12 HE3 LYS 10 2HE LYS 10 -40.754 -2.831 0.454 13 HZ1 LYS 10 3HZ LYS 10 -39.186 -1.620 1.863 14 HZ2 LYS 10 1HZ LYS 10 -38.484 -2.059 0.391 15 HZ3 LYS 10 2HZ LYS 10 -38.105 -2.914 1.793 16 H ALA 11 H ALA 11 -37.287 -6.277 6.878 17 HA ALA 11 HA ALA 11 -35.693 -5.067 7.934 18 HB1 ALA 11 3HB ALA 11 -36.330 -2.991 5.844 19 HB2 ALA 11 1HB ALA 11 -35.151 -4.293 5.701 20 HB3 ALA 11 2HB ALA 11 -34.903 -3.007 6.880 21 H MET 12 H MET 12 -38.069 -5.019 9.243 22 HA MET 12 HA MET 12 -37.701 -2.550 10.719 23 HB2 MET 12 1HB MET 12 -40.125 -2.110 10.915 24 HB3 MET 12 2HB MET 12 -39.537 -1.931 9.269 25 HG2 MET 12 1HG MET 12 -40.416 -4.171 8.746 26 HG3 MET 12 2HG MET 12 -41.069 -4.268 10.380 27 HE1 MET 12 3HE MET 12 -40.928 -1.092 8.015 28 HE2 MET 12 1HE MET 12 -42.478 -1.242 7.190 29 HE3 MET 12 2HE MET 12 -41.219 -2.450 6.926 30 H ALA 13 H ALA 13 -39.079 -5.751 10.470 31 HA ALA 13 HA ALA 13 -38.488 -6.103 13.323 32 HB1 ALA 13 3HB ALA 13 -40.443 -7.562 13.559 33 HB2 ALA 13 1HB ALA 13 -40.899 -7.227 11.889 34 HB3 ALA 13 2HB ALA 13 -40.923 -5.933 13.087 35 H ASP 14 H ASP 14 -37.199 -6.653 10.653 36 HA ASP 14 HA ASP 14 -36.243 -9.288 11.153 37 HB2 ASP 14 1HB ASP 14 -37.255 -10.529 9.498 38 HB3 ASP 14 2HB ASP 14 -38.583 -9.437 9.875 39 H ILE 15 H ILE 15 -34.584 -9.912 9.565 40 HA ILE 15 HA ILE 15 -33.751 -7.757 7.748 41 HB ILE 15 HB ILE 15 -31.358 -8.320 8.259 42 HG12 ILE 15 1HG1 ILE 15 -32.560 -9.686 10.678 43 HG13 ILE 15 2HG1 ILE 15 -31.790 -10.509 9.327 44 HG21 ILE 15 1HG2 ILE 15 -32.361 -6.294 9.126 45 HG22 ILE 15 2HG2 ILE 15 -31.254 -6.978 10.316 46 HG23 ILE 15 3HG2 ILE 15 -32.996 -7.174 10.516 47 HD11 ILE 15 3HD1 ILE 15 -30.302 -10.349 11.233 48 HD12 ILE 15 1HD1 ILE 15 -30.451 -8.592 11.217 49 HD13 ILE 15 2HD1 ILE 15 -29.678 -9.423 9.868 50 H GLY 16 H GLY 16 -35.200 -10.321 7.474 51 HA2 GLY 16 1HA GLY 16 -33.266 -11.901 5.911 52 HA3 GLY 16 2HA GLY 16 -34.787 -12.504 6.554 53 H SER 17 H SER 17 -36.314 -10.185 5.731 54 HA SER 17 HA SER 17 -36.991 -11.015 3.094 55 HB2 SER 17 1HB SER 17 -38.665 -10.131 4.670 56 HB3 SER 17 2HB SER 17 -37.858 -8.567 4.661 57 HG SER 17 HG SER 17 -38.435 -9.386 2.142 58 H THR 18 H THR 18 -34.913 -8.563 4.406 59 HA THR 18 HA THR 18 -34.588 -7.369 1.746 60 HB THR 18 HB THR 18 -33.378 -5.542 3.025 61 HG1 THR 18 1HG THR 18 -32.972 -6.148 5.030 62 HG21 THR 18 3HG2 THR 18 -35.700 -5.332 2.212 63 HG22 THR 18 1HG2 THR 18 -35.436 -4.451 3.716 64 HG23 THR 18 2HG2 THR 18 -36.278 -5.999 3.737 65 H ALA 19 H ALA 19 -32.466 -6.926 0.974 66 HA ALA 19 HA ALA 19 -30.206 -8.125 2.341 67 HB1 ALA 19 3HB ALA 19 -31.112 -10.011 1.088 68 HB2 ALA 19 1HB ALA 19 -29.553 -9.511 0.433 69 HB3 ALA 19 2HB ALA 19 -31.042 -9.067 -0.399 70 H VAL 20 H VAL 20 -30.026 -5.708 2.335 71 HA VAL 20 HA VAL 20 -28.640 -4.832 -0.108 72 HB VAL 20 HB VAL 20 -29.390 -2.472 0.547 73 HG11 VAL 20 1HG1 VAL 20 -31.549 -2.729 -0.607 74 HG12 VAL 20 2HG1 VAL 20 -31.425 -4.478 -0.416 75 HG13 VAL 20 3HG1 VAL 20 -30.253 -3.612 -1.410 76 HG21 VAL 20 3HG2 VAL 20 -30.201 -2.981 2.792 77 HG22 VAL 20 1HG2 VAL 20 -31.424 -4.059 2.117 78 HG23 VAL 20 2HG2 VAL 20 -31.498 -2.327 1.794 79 HA PRO 21 HA PRO 21 -25.807 -4.486 3.523 80 HB2 PRO 21 2HB PRO 21 -23.675 -5.709 2.432 81 HB3 PRO 21 1HB PRO 21 -25.015 -6.619 3.140 82 HG2 PRO 21 2HG PRO 21 -24.428 -6.035 0.265 83 HG3 PRO 21 1HG PRO 21 -25.003 -7.539 1.009 84 HD2 PRO 21 2HD PRO 21 -26.631 -5.745 -0.278 85 HD3 PRO 21 1HD PRO 21 -27.186 -6.852 0.991 86 H ARG 22 H ARG 22 -25.643 -3.495 0.218 87 HA ARG 22 HA ARG 22 -23.237 -1.904 0.623 88 HB2 ARG 22 1HB ARG 22 -25.018 -2.122 -1.811 89 HB3 ARG 22 2HB ARG 22 -23.456 -1.321 -1.743 90 HG2 ARG 22 1HG ARG 22 -22.362 -3.441 -1.293 91 HG3 ARG 22 2HG ARG 22 -23.923 -4.262 -1.294 92 HD2 ARG 22 1HD ARG 22 -22.825 -4.589 -3.423 93 HD3 ARG 22 2HD ARG 22 -24.254 -3.578 -3.635 94 HE ARG 22 HE ARG 22 -21.792 -2.113 -3.272 95 HH11 ARG 22 1HH1 ARG 22 -23.940 -3.623 -5.581 96 HH12 ARG 22 2HH1 ARG 22 -23.395 -2.655 -6.914 97 HH21 ARG 22 1HH2 ARG 22 -21.076 -0.832 -5.022 98 HH22 ARG 22 2HH2 ARG 22 -21.778 -1.065 -6.594 99 H ASP 23 H ASP 23 -26.640 -1.585 0.744 100 HA ASP 23 HA ASP 23 -26.667 1.292 0.517 101 HB2 ASP 23 1HB ASP 23 -28.651 0.077 -0.174 102 HB3 ASP 23 2HB ASP 23 -28.777 -0.685 1.408 103 H VAL 24 H VAL 24 -26.234 2.671 2.115 104 HA VAL 24 HA VAL 24 -26.207 1.617 4.867 105 HB VAL 24 HB VAL 24 -24.367 3.223 5.351 106 HG11 VAL 24 1HG1 VAL 24 -22.595 1.919 4.276 107 HG12 VAL 24 2HG1 VAL 24 -23.781 1.219 3.175 108 HG13 VAL 24 3HG1 VAL 24 -23.875 0.881 4.903 109 HG21 VAL 24 3HG2 VAL 24 -24.309 3.579 2.353 110 HG22 VAL 24 1HG2 VAL 24 -23.107 4.196 3.487 111 HG23 VAL 24 2HG2 VAL 24 -24.761 4.807 3.535 112 H ASN 25 H ASN 25 -26.910 2.965 6.514 113 HA ASN 25 HA ASN 25 -28.799 4.998 5.741 114 HB2 ASN 25 1HB ASN 25 -29.163 3.424 7.664 115 HB3 ASN 25 2HB ASN 25 -27.863 4.238 8.521 116 HD21 ASN 25 2HD2 ASN 25 -30.695 3.941 9.193 117 HD22 ASN 25 1HD2 ASN 25 -31.303 5.546 9.405 118 H GLY 26 H GLY 26 -27.886 6.807 4.967 119 HA2 GLY 26 1HA GLY 26 -26.988 8.962 5.428 120 HA3 GLY 26 2HA GLY 26 -26.041 8.256 6.733 121 H GLY 27 H GLY 27 -26.439 7.449 3.300 122 HA2 GLY 27 1HA GLY 27 -23.683 6.772 3.013 123 HA3 GLY 27 2HA GLY 27 -24.871 6.871 1.723 124 H THR 28 H THR 28 -22.460 8.579 3.547 125 HA THR 28 HA THR 28 -22.679 11.120 2.404 126 HB THR 28 HB THR 28 -20.035 9.839 3.095 127 HG1 THR 28 1HG THR 28 -20.597 9.742 5.150 128 HG21 THR 28 3HG2 THR 28 -21.119 12.631 3.513 129 HG22 THR 28 1HG2 THR 28 -19.991 12.149 2.245 130 HG23 THR 28 2HG2 THR 28 -19.501 12.077 3.938 131 HA PRO 29 HA PRO 29 -22.005 10.571 -1.915 132 HB2 PRO 29 2HB PRO 29 -20.165 12.904 -1.596 133 HB3 PRO 29 1HB PRO 29 -21.424 12.618 -2.800 134 HG2 PRO 29 2HG PRO 29 -21.847 14.231 -0.707 135 HG3 PRO 29 1HG PRO 29 -23.129 13.199 -1.363 136 HD2 PRO 29 2HD PRO 29 -21.616 12.946 1.165 137 HD3 PRO 29 1HD PRO 29 -23.228 12.339 0.747 138 HA PRO 30 HA PRO 30 -17.302 9.940 -2.208 139 HB2 PRO 30 2HB PRO 30 -15.910 10.527 0.227 140 HB3 PRO 30 1HB PRO 30 -15.816 11.391 -1.306 141 HG2 PRO 30 2HG PRO 30 -16.891 12.423 1.015 142 HG3 PRO 30 1HG PRO 30 -17.260 13.007 -0.612 143 HD2 PRO 30 2HD PRO 30 -18.821 11.167 1.140 144 HD3 PRO 30 1HD PRO 30 -19.397 12.452 0.059 145 H LYS 31 H LYS 31 -17.371 7.776 -2.248 146 HA LYS 31 HA LYS 31 -18.050 6.167 -0.017 147 HB2 LYS 31 1HB LYS 31 -16.960 5.563 -2.730 148 HB3 LYS 31 2HB LYS 31 -17.101 4.295 -1.528 149 HG2 LYS 31 1HG LYS 31 -19.037 4.148 -2.840 150 HG3 LYS 31 2HG LYS 31 -19.543 4.929 -1.345 151 HD2 LYS 31 1HD LYS 31 -19.466 7.106 -2.440 152 HD3 LYS 31 2HD LYS 31 -18.907 6.346 -3.934 153 HE2 LYS 31 1HE LYS 31 -20.997 5.031 -4.001 154 HE3 LYS 31 2HE LYS 31 -21.554 5.884 -2.566 155 HZ1 LYS 31 3HZ LYS 31 -22.489 6.866 -4.538 156 HZ2 LYS 31 1HZ LYS 31 -20.954 7.102 -5.208 157 HZ3 LYS 31 2HZ LYS 31 -21.418 7.963 -3.828 158 H SER 32 H SER 32 -16.822 4.970 1.352 159 HA SER 32 HA SER 32 -13.945 4.911 1.057 160 HB2 SER 32 1HB SER 32 -13.696 5.735 3.463 161 HB3 SER 32 2HB SER 32 -14.085 6.949 2.245 162 HG SER 32 HG SER 32 -16.074 7.147 3.045 163 H CYS 33 H CYS 33 -13.045 3.714 3.142 164 HA CYS 33 HA CYS 33 -14.638 1.263 3.242 165 HB2 CYS 33 2HB CYS 33 -11.718 1.735 3.871 166 HB3 CYS 33 1HB CYS 33 -12.524 0.170 3.885 167 H SER 34 H SER 34 -15.411 0.430 5.095 168 HA SER 34 HA SER 34 -15.281 2.025 7.491 169 HB2 SER 34 1HB SER 34 -17.362 0.867 6.775 170 HB3 SER 34 2HB SER 34 -16.567 -0.682 7.037 171 HG SER 34 HG SER 34 -16.649 1.206 9.121 172 H SER 35 H SER 35 -13.433 -0.409 6.103 173 HA SER 35 HA SER 35 -12.538 -1.704 8.489 174 HB2 SER 35 1HB SER 35 -10.733 -2.564 6.872 175 HB3 SER 35 2HB SER 35 -12.405 -3.003 6.520 176 HG SER 35 HG SER 35 -10.747 -1.842 4.900 177 H GLY 36 H GLY 36 -11.963 1.302 7.158 178 HA2 GLY 36 1HA GLY 36 -10.439 2.470 8.954 179 HA3 GLY 36 2HA GLY 36 -9.219 1.510 8.128 180 HA PRO 37 HA PRO 37 -9.895 5.883 6.177 181 HB2 PRO 37 2HB PRO 37 -7.057 6.044 6.206 182 HB3 PRO 37 1HB PRO 37 -8.197 7.010 7.133 183 HG2 PRO 37 2HG PRO 37 -6.648 4.633 7.951 184 HG3 PRO 37 1HG PRO 37 -7.265 5.978 8.934 185 HD2 PRO 37 2HD PRO 37 -8.380 3.540 9.029 186 HD3 PRO 37 1HD PRO 37 -9.356 5.022 9.151 187 H VAL 38 H VAL 38 -9.464 6.349 4.095 188 HA VAL 38 HA VAL 38 -8.543 4.217 2.363 189 HB VAL 38 HB VAL 38 -9.571 7.012 1.778 190 HG11 VAL 38 1HG1 VAL 38 -9.023 4.766 -0.156 191 HG12 VAL 38 2HG1 VAL 38 -8.096 6.261 -0.016 192 HG13 VAL 38 3HG1 VAL 38 -9.779 6.312 -0.547 193 HG21 VAL 38 3HG2 VAL 38 -11.227 5.509 2.743 194 HG22 VAL 38 1HG2 VAL 38 -10.874 4.317 1.494 195 HG23 VAL 38 2HG2 VAL 38 -11.596 5.865 1.055 196 H TYR 39 H TYR 39 -6.863 4.835 0.629 197 HA TYR 39 HA TYR 39 -4.898 6.689 1.778 198 HB2 TYR 39 2HB TYR 39 -4.331 3.916 0.744 199 HB3 TYR 39 1HB TYR 39 -3.092 5.104 1.118 200 HD1 TYR 39 1HD TYR 39 -2.586 5.696 3.426 201 HD2 TYR 39 2HD TYR 39 -5.573 2.813 2.514 202 HE1 TYR 39 1HE TYR 39 -2.577 4.952 5.770 203 HE2 TYR 39 2HE TYR 39 -5.572 2.063 4.850 204 HH TYR 39 HH TYR 39 -4.122 3.814 7.343 205 H CYS 40 H CYS 40 -3.773 7.898 0.413 206 HA CYS 40 HA CYS 40 -4.456 7.687 -2.440 207 HB2 CYS 40 2HB CYS 40 -5.107 9.783 -1.226 208 HB3 CYS 40 1HB CYS 40 -3.405 10.089 -0.927 209 H CYS 41 H CYS 41 -2.873 6.452 -3.332 210 HA CYS 41 HA CYS 41 -0.102 6.930 -2.433 211 HB2 CYS 41 2HB CYS 41 -1.157 4.545 -3.961 212 HB3 CYS 41 1HB CYS 41 0.421 4.700 -3.215 213 H ASN 42 H ASN 42 1.455 7.441 -3.869 214 HA ASN 42 HA ASN 42 0.815 8.772 -6.241 215 HB2 ASN 42 1HB ASN 42 2.859 9.295 -5.145 216 HB3 ASN 42 2HB ASN 42 3.386 7.616 -5.174 217 HD21 ASN 42 2HD2 ASN 42 3.020 10.547 -7.000 218 HD22 ASN 42 1HD2 ASN 42 3.997 10.070 -8.343 219 H LYS 43 H LYS 43 1.558 5.456 -5.602 220 HA LYS 43 HA LYS 43 0.554 4.537 -8.094 221 HB2 LYS 43 1HB LYS 43 3.141 5.349 -8.261 222 HB3 LYS 43 2HB LYS 43 3.375 3.689 -7.745 223 HG2 LYS 43 1HG LYS 43 1.802 4.530 -10.175 224 HG3 LYS 43 2HG LYS 43 3.469 3.960 -10.192 225 HD2 LYS 43 1HD LYS 43 1.140 2.350 -9.154 226 HD3 LYS 43 2HD LYS 43 1.772 2.229 -10.795 227 HE2 LYS 43 1HE LYS 43 3.396 1.739 -8.302 228 HE3 LYS 43 2HE LYS 43 2.613 0.472 -9.240 229 HZ1 LYS 43 3HZ LYS 43 4.907 0.639 -9.864 230 HZ2 LYS 43 1HZ LYS 43 4.753 2.295 -10.189 231 HZ3 LYS 43 2HZ LYS 43 3.950 1.170 -11.160 232 H THR 44 H THR 44 -0.466 2.662 -7.470 233 HA THR 44 HA THR 44 0.563 1.281 -5.142 234 HB THR 44 HB THR 44 -1.365 -0.359 -5.762 235 HG1 THR 44 1HG THR 44 -2.198 0.309 -7.617 236 HG21 THR 44 3HG2 THR 44 -2.849 0.925 -4.383 237 HG22 THR 44 1HG2 THR 44 -1.978 2.417 -4.752 238 HG23 THR 44 2HG2 THR 44 -1.200 1.146 -3.804 239 H GLU 45 H GLU 45 1.684 -0.488 -5.111 240 HA GLU 45 HA GLU 45 2.647 -1.399 -7.731 241 HB2 GLU 45 1HB GLU 45 4.252 -0.294 -6.121 242 HB3 GLU 45 2HB GLU 45 4.042 -1.690 -5.065 243 HG2 GLU 45 1HG GLU 45 6.057 -1.788 -6.502 244 HG3 GLU 45 2HG GLU 45 4.960 -3.154 -6.702 245 H ASP 46 H ASP 46 2.695 -3.542 -8.227 246 HA ASP 46 HA ASP 46 0.634 -5.088 -7.049 247 HB2 ASP 46 1HB ASP 46 2.723 -5.680 -9.120 248 HB3 ASP 46 2HB ASP 46 1.628 -6.931 -8.543 249 H SER 47 H SER 47 0.772 -5.929 -5.102 250 HA SER 47 HA SER 47 3.217 -6.358 -3.771 251 HB2 SER 47 1HB SER 47 1.873 -7.271 -1.970 252 HB3 SER 47 2HB SER 47 1.102 -5.831 -2.621 253 HG SER 47 HG SER 47 0.402 -8.534 -3.117 254 H LYS 48 H LYS 48 1.764 -8.252 -6.096 255 HA LYS 48 HA LYS 48 2.563 -10.797 -5.129 256 HB2 LYS 48 1HB LYS 48 1.786 -9.861 -7.892 257 HB3 LYS 48 2HB LYS 48 2.136 -11.529 -7.482 258 HG2 LYS 48 1HG LYS 48 -0.166 -11.359 -7.435 259 HG3 LYS 48 2HG LYS 48 0.331 -11.305 -5.750 260 HD2 LYS 48 1HD LYS 48 -1.397 -9.675 -6.109 261 HD3 LYS 48 2HD LYS 48 0.141 -8.867 -5.797 262 HE2 LYS 48 1HE LYS 48 0.425 -8.383 -8.127 263 HE3 LYS 48 2HE LYS 48 -0.962 -9.378 -8.556 264 HZ1 LYS 48 3HZ LYS 48 -2.435 -7.824 -7.667 265 HZ2 LYS 48 1HZ LYS 48 -1.299 -6.882 -8.500 266 HZ3 LYS 48 2HZ LYS 48 -1.233 -7.006 -6.807 267 H HIS 49 H HIS 49 3.853 -8.303 -7.180 268 HA HIS 49 HA HIS 49 6.480 -9.561 -7.151 269 HB2 HIS 49 1HB HIS 49 4.934 -8.803 -9.614 270 HB3 HIS 49 2HB HIS 49 6.680 -8.951 -9.619 271 HD1 HIS 49 HD1 HIS 49 7.660 -11.362 -9.203 272 HD2 HIS 49 HD2 HIS 49 3.538 -11.184 -9.715 273 HE1 HIS 49 HE1 HIS 49 6.920 -13.733 -9.595 274 HE2 HIS 49 HE2 HIS 49 4.411 -13.616 -9.747 275 H LEU 50 H LEU 50 6.349 -7.638 -5.552 276 HA LEU 50 HA LEU 50 6.563 -5.007 -6.460 277 HB2 LEU 50 1HB LEU 50 7.931 -6.344 -4.135 278 HB3 LEU 50 2HB LEU 50 7.920 -4.627 -4.407 279 HG LEU 50 HG LEU 50 6.294 -4.892 -2.828 280 HD11 LEU 50 1HD1 LEU 50 5.462 -3.608 -4.709 281 HD12 LEU 50 2HD1 LEU 50 4.170 -4.452 -3.860 282 HD13 LEU 50 3HD1 LEU 50 4.768 -5.078 -5.395 283 HD21 LEU 50 3HD2 LEU 50 4.742 -6.645 -2.644 284 HD22 LEU 50 1HD2 LEU 50 6.332 -7.351 -2.930 285 HD23 LEU 50 2HD2 LEU 50 5.161 -7.259 -4.247 286 H ASP 51 H ASP 51 8.426 -3.686 -6.673 287 HA ASP 51 HA ASP 51 10.597 -4.728 -8.180 288 HB2 ASP 51 1HB ASP 51 9.748 -2.343 -8.186 289 HB3 ASP 51 2HB ASP 51 10.495 -2.137 -6.615 290 H LYS 52 H LYS 52 12.862 -4.877 -7.438 291 HA LYS 52 HA LYS 52 13.110 -6.071 -4.901 292 HB2 LYS 52 1HB LYS 52 15.495 -6.071 -5.248 293 HB3 LYS 52 2HB LYS 52 14.679 -6.552 -6.730 294 HG2 LYS 52 1HG LYS 52 16.237 -5.131 -7.591 295 HG3 LYS 52 2HG LYS 52 14.941 -3.974 -7.278 296 HD2 LYS 52 1HD LYS 52 15.987 -3.521 -5.058 297 HD3 LYS 52 2HD LYS 52 17.345 -4.536 -5.547 298 HE2 LYS 52 1HE LYS 52 17.689 -3.033 -7.500 299 HE3 LYS 52 2HE LYS 52 16.425 -1.983 -6.861 300 HZ1 LYS 52 3HZ LYS 52 17.757 -1.701 -4.848 301 HZ2 LYS 52 1HZ LYS 52 18.596 -1.179 -6.221 302 HZ3 LYS 52 2HZ LYS 52 18.977 -2.663 -5.508 303 H GLY 53 H GLY 53 13.386 -2.772 -5.973 304 HA2 GLY 53 1HA GLY 53 14.654 -1.734 -3.651 305 HA3 GLY 53 2HA GLY 53 13.687 -0.817 -4.798 306 H THR 54 H THR 54 11.294 -2.293 -4.521 307 HA THR 54 HA THR 54 10.284 -1.133 -2.097 308 HB THR 54 HB THR 54 8.850 -2.895 -4.095 309 HG1 THR 54 1HG THR 54 9.329 -0.104 -3.989 310 HG21 THR 54 3HG2 THR 54 6.807 -1.837 -3.202 311 HG22 THR 54 1HG2 THR 54 7.788 -0.985 -2.006 312 HG23 THR 54 2HG2 THR 54 7.673 -2.746 -1.958 313 H THR 55 H THR 55 10.765 -4.371 -3.400 314 HA THR 55 HA THR 55 9.906 -5.904 -1.247 315 HB THR 55 HB THR 55 12.294 -6.379 -3.045 316 HG1 THR 55 1HG THR 55 10.549 -6.336 -4.354 317 HG21 THR 55 3HG2 THR 55 12.379 -7.777 -1.049 318 HG22 THR 55 1HG2 THR 55 12.018 -8.743 -2.481 319 HG23 THR 55 2HG2 THR 55 10.729 -8.325 -1.353 320 H ALA 56 H ALA 56 12.893 -4.140 -1.753 321 HA ALA 56 HA ALA 56 14.352 -4.949 0.463 322 HB1 ALA 56 3HB ALA 56 15.302 -3.565 -1.273 323 HB2 ALA 56 1HB ALA 56 15.483 -2.762 0.288 324 HB3 ALA 56 2HB ALA 56 14.230 -2.234 -0.839 325 H LEU 57 H LEU 57 12.099 -2.161 0.252 326 HA LEU 57 HA LEU 57 12.354 -1.322 2.915 327 HB2 LEU 57 1HB LEU 57 9.898 -1.144 1.178 328 HB3 LEU 57 2HB LEU 57 10.142 -0.272 2.672 329 HG LEU 57 HG LEU 57 10.859 1.408 1.426 330 HD11 LEU 57 1HD1 LEU 57 13.175 -0.349 0.660 331 HD12 LEU 57 2HD1 LEU 57 13.041 0.516 2.192 332 HD13 LEU 57 3HD1 LEU 57 13.142 1.414 0.674 333 HD21 LEU 57 3HD2 LEU 57 11.430 -0.341 -0.921 334 HD22 LEU 57 1HD2 LEU 57 10.965 1.359 -0.904 335 HD23 LEU 57 2HD2 LEU 57 9.782 0.111 -0.481 336 H LEU 58 H LEU 58 10.081 -3.523 1.402 337 HA LEU 58 HA LEU 58 8.524 -4.122 3.639 338 HB2 LEU 58 1HB LEU 58 9.263 -6.022 1.426 339 HB3 LEU 58 2HB LEU 58 7.825 -6.078 2.428 340 HG LEU 58 HG LEU 58 8.457 -3.891 0.434 341 HD11 LEU 58 1HD1 LEU 58 7.956 -6.045 -0.615 342 HD12 LEU 58 2HD1 LEU 58 6.676 -4.862 -0.889 343 HD13 LEU 58 3HD1 LEU 58 6.457 -6.140 0.312 344 HD21 LEU 58 3HD2 LEU 58 6.152 -3.180 0.840 345 HD22 LEU 58 1HD2 LEU 58 7.122 -3.090 2.310 346 HD23 LEU 58 2HD2 LEU 58 5.984 -4.418 2.084 347 H GLY 59 H GLY 59 11.468 -5.648 2.403 348 HA2 GLY 59 1HA GLY 59 11.713 -7.617 4.377 349 HA3 GLY 59 2HA GLY 59 13.048 -6.930 3.466 350 H LEU 60 H LEU 60 12.721 -4.234 4.353 351 HA LEU 60 HA LEU 60 14.247 -4.213 6.710 352 HB2 LEU 60 1HB LEU 60 12.464 -1.972 5.749 353 HB3 LEU 60 2HB LEU 60 13.883 -1.827 6.765 354 HG LEU 60 HG LEU 60 13.776 -2.454 3.823 355 HD11 LEU 60 1HD1 LEU 60 15.156 -0.468 3.637 356 HD12 LEU 60 2HD1 LEU 60 15.118 -0.262 5.387 357 HD13 LEU 60 3HD1 LEU 60 13.634 -0.105 4.449 358 HD21 LEU 60 3HD2 LEU 60 15.379 -3.945 4.907 359 HD22 LEU 60 1HD2 LEU 60 16.172 -2.555 5.647 360 HD23 LEU 60 2HD2 LEU 60 16.183 -2.746 3.893 361 H LEU 61 H LEU 61 10.829 -3.735 6.145 362 HA LEU 61 HA LEU 61 10.263 -3.324 8.965 363 HB2 LEU 61 1HB LEU 61 8.413 -3.466 6.589 364 HB3 LEU 61 2HB LEU 61 7.967 -2.953 8.206 365 HG LEU 61 HG LEU 61 10.191 -1.469 6.932 366 HD11 LEU 61 1HD1 LEU 61 7.327 -1.194 6.052 367 HD12 LEU 61 2HD1 LEU 61 8.679 -1.735 5.057 368 HD13 LEU 61 3HD1 LEU 61 8.632 -0.077 5.659 369 HD21 LEU 61 3HD2 LEU 61 7.735 -0.609 8.453 370 HD22 LEU 61 1HD2 LEU 61 9.111 0.407 8.020 371 HD23 LEU 61 2HD2 LEU 61 9.319 -0.919 9.169 372 H ASN 62 H ASN 62 10.769 -5.972 7.126 373 HA ASN 62 HA ASN 62 10.610 -8.188 7.590 374 HB2 ASN 62 1HB ASN 62 9.183 -7.250 10.070 375 HB3 ASN 62 2HB ASN 62 9.579 -8.932 9.744 376 HD21 ASN 62 2HD2 ASN 62 10.418 -7.252 11.930 377 HD22 ASN 62 1HD2 ASN 62 12.146 -7.207 11.884 378 H ILE 63 H ILE 63 8.601 -6.631 6.107 379 HA ILE 63 HA ILE 63 6.083 -7.941 6.546 380 HB ILE 63 HB ILE 63 7.060 -6.240 4.245 381 HG12 ILE 63 1HG1 ILE 63 5.132 -5.472 6.426 382 HG13 ILE 63 2HG1 ILE 63 6.871 -5.276 6.622 383 HG21 ILE 63 1HG2 ILE 63 5.218 -7.698 3.558 384 HG22 ILE 63 2HG2 ILE 63 4.708 -6.011 3.632 385 HG23 ILE 63 3HG2 ILE 63 4.254 -7.126 4.920 386 HD11 ILE 63 3HD1 ILE 63 5.722 -3.235 5.883 387 HD12 ILE 63 1HD1 ILE 63 5.259 -4.072 4.400 388 HD13 ILE 63 2HD1 ILE 63 6.964 -3.792 4.762 389 H LYS 64 H LYS 64 5.216 -9.592 5.419 390 HA LYS 64 HA LYS 64 7.082 -11.257 3.933 391 HB2 LYS 64 1HB LYS 64 4.303 -11.768 5.007 392 HB3 LYS 64 2HB LYS 64 5.221 -12.946 4.085 393 HG2 LYS 64 1HG LYS 64 5.466 -13.506 6.362 394 HG3 LYS 64 2HG LYS 64 6.994 -12.801 5.850 395 HD2 LYS 64 1HD LYS 64 6.301 -10.655 6.854 396 HD3 LYS 64 2HD LYS 64 4.818 -11.426 7.420 397 HE2 LYS 64 1HE LYS 64 6.076 -12.934 8.812 398 HE3 LYS 64 2HE LYS 64 7.596 -12.333 8.152 399 HZ1 LYS 64 3HZ LYS 64 7.036 -10.138 9.100 400 HZ2 LYS 64 1HZ LYS 64 7.222 -11.340 10.276 401 HZ3 LYS 64 2HZ LYS 64 5.676 -10.825 9.837 402 H ILE 65 H ILE 65 7.154 -11.171 1.809 403 HA ILE 65 HA ILE 65 5.308 -9.574 0.333 404 HB ILE 65 HB ILE 65 7.674 -11.249 -0.511 405 HG12 ILE 65 1HG1 ILE 65 8.609 -9.043 -1.159 406 HG13 ILE 65 2HG1 ILE 65 7.161 -8.271 -0.536 407 HG21 ILE 65 1HG2 ILE 65 5.984 -9.532 -2.312 408 HG22 ILE 65 2HG2 ILE 65 5.959 -11.296 -2.289 409 HG23 ILE 65 3HG2 ILE 65 7.425 -10.440 -2.767 410 HD11 ILE 65 3HD1 ILE 65 7.710 -9.045 1.707 411 HD12 ILE 65 1HD1 ILE 65 9.023 -8.087 1.020 412 HD13 ILE 65 2HD1 ILE 65 9.152 -9.846 1.082 413 H GLY 66 H GLY 66 5.887 -13.018 0.740 414 HA2 GLY 66 1HA GLY 66 4.069 -13.840 -1.311 415 HA3 GLY 66 2HA GLY 66 4.753 -14.862 -0.056 416 H ASP 67 H ASP 67 3.692 -12.797 1.936 417 HA ASP 67 HA ASP 67 1.097 -14.043 2.283 418 HB2 ASP 67 1HB ASP 67 2.538 -13.747 4.239 419 HB3 ASP 67 2HB ASP 67 2.571 -12.009 3.972 420 H LEU 68 H LEU 68 2.367 -11.235 0.881 421 HA LEU 68 HA LEU 68 0.306 -9.382 1.362 422 HB2 LEU 68 1HB LEU 68 2.195 -9.601 -0.976 423 HB3 LEU 68 2HB LEU 68 1.181 -8.216 -0.619 424 HG LEU 68 HG LEU 68 3.398 -9.255 1.137 425 HD11 LEU 68 1HD1 LEU 68 4.577 -7.232 0.521 426 HD12 LEU 68 2HD1 LEU 68 3.247 -6.751 -0.531 427 HD13 LEU 68 3HD1 LEU 68 4.202 -8.184 -0.916 428 HD21 LEU 68 3HD2 LEU 68 1.491 -6.952 1.421 429 HD22 LEU 68 1HD2 LEU 68 2.994 -7.097 2.341 430 HD23 LEU 68 2HD2 LEU 68 1.728 -8.313 2.517 431 H LYS 69 H LYS 69 -1.274 -8.580 -0.138 432 HA LYS 69 HA LYS 69 -2.551 -10.851 -1.496 433 HB2 LYS 69 1HB LYS 69 -3.745 -8.483 -0.064 434 HB3 LYS 69 2HB LYS 69 -4.687 -9.568 -1.065 435 HG2 LYS 69 1HG LYS 69 -5.016 -10.287 1.140 436 HG3 LYS 69 2HG LYS 69 -3.888 -11.439 0.429 437 HD2 LYS 69 1HD LYS 69 -2.023 -10.292 1.505 438 HD3 LYS 69 2HD LYS 69 -3.136 -9.107 2.189 439 HE2 LYS 69 1HE LYS 69 -4.245 -10.862 3.460 440 HE3 LYS 69 2HE LYS 69 -3.180 -12.071 2.744 441 HZ1 LYS 69 3HZ LYS 69 -1.305 -11.079 3.830 442 HZ2 LYS 69 1HZ LYS 69 -2.502 -11.367 4.991 443 HZ3 LYS 69 2HZ LYS 69 -2.247 -9.799 4.412 444 H ASP 70 H ASP 70 -3.197 -7.352 -1.677 445 HA ASP 70 HA ASP 70 -3.637 -7.741 -4.543 446 HB2 ASP 70 1HB ASP 70 -4.645 -5.715 -2.566 447 HB3 ASP 70 2HB ASP 70 -4.814 -5.469 -4.298 448 H LEU 71 H LEU 71 -3.084 -4.611 -3.131 449 HA LEU 71 HA LEU 71 -0.587 -4.364 -4.681 450 HB2 LEU 71 1HB LEU 71 -2.740 -2.331 -4.154 451 HB3 LEU 71 2HB LEU 71 -1.139 -1.894 -4.695 452 HG LEU 71 HG LEU 71 -2.173 -1.870 -6.683 453 HD11 LEU 71 1HD1 LEU 71 -1.659 -4.812 -6.418 454 HD12 LEU 71 2HD1 LEU 71 -0.525 -3.574 -6.962 455 HD13 LEU 71 3HD1 LEU 71 -1.944 -3.958 -7.935 456 HD21 LEU 71 3HD2 LEU 71 -4.185 -3.020 -7.280 457 HD22 LEU 71 1HD2 LEU 71 -4.378 -2.334 -5.665 458 HD23 LEU 71 2HD2 LEU 71 -4.059 -4.060 -5.860 459 H VAL 72 H VAL 72 0.893 -2.769 -3.894 460 HA VAL 72 HA VAL 72 0.591 -2.047 -1.054 461 HB VAL 72 HB VAL 72 2.809 -2.288 -0.603 462 HG11 VAL 72 1HG1 VAL 72 2.163 -4.497 -1.168 463 HG12 VAL 72 2HG1 VAL 72 3.810 -4.252 -1.755 464 HG13 VAL 72 3HG1 VAL 72 2.453 -4.209 -2.881 465 HG21 VAL 72 3HG2 VAL 72 3.910 -0.771 -1.893 466 HG22 VAL 72 1HG2 VAL 72 3.272 -1.429 -3.405 467 HG23 VAL 72 2HG2 VAL 72 4.560 -2.278 -2.555 468 H GLY 73 H GLY 73 1.900 0.129 -0.706 469 HA2 GLY 73 1HA GLY 73 1.589 1.808 -3.081 470 HA3 GLY 73 2HA GLY 73 0.701 2.243 -1.636 471 H LEU 74 H LEU 74 3.402 2.962 -3.349 472 HA LEU 74 HA LEU 74 5.023 3.441 -0.984 473 HB2 LEU 74 1HB LEU 74 6.872 3.867 -2.345 474 HB3 LEU 74 2HB LEU 74 6.050 2.532 -3.108 475 HG LEU 74 HG LEU 74 6.836 3.887 -4.847 476 HD11 LEU 74 1HD1 LEU 74 3.930 4.549 -4.470 477 HD12 LEU 74 2HD1 LEU 74 4.604 3.128 -5.276 478 HD13 LEU 74 3HD1 LEU 74 4.835 4.735 -5.974 479 HD21 LEU 74 3HD2 LEU 74 7.387 5.892 -3.597 480 HD22 LEU 74 1HD2 LEU 74 5.677 6.301 -3.450 481 HD23 LEU 74 2HD2 LEU 74 6.452 6.303 -5.034 482 H ASN 75 H ASN 75 5.484 5.343 -0.152 483 HA ASN 75 HA ASN 75 5.175 7.496 0.503 484 HB2 ASN 75 1HB ASN 75 6.502 7.568 -1.742 485 HB3 ASN 75 2HB ASN 75 5.024 8.280 -2.382 486 HD21 ASN 75 2HD2 ASN 75 7.607 8.635 -0.067 487 HD22 ASN 75 1HD2 ASN 75 7.443 10.339 0.122 488 H CYS 76 H CYS 76 2.931 6.233 0.745 489 HA CYS 76 HA CYS 76 0.803 7.478 -0.784 490 HB2 CYS 76 2HB CYS 76 1.020 4.979 -0.267 491 HB3 CYS 76 1HB CYS 76 0.529 5.388 1.370 492 H SER 77 H SER 77 -0.936 8.536 0.176 493 HA SER 77 HA SER 77 -0.328 9.750 2.789 494 HB2 SER 77 1HB SER 77 -0.442 11.269 0.789 495 HB3 SER 77 2HB SER 77 -2.138 10.829 0.616 496 HG SER 77 HG SER 77 -1.359 12.803 1.946 497 HA PRO 78 HA PRO 78 -3.917 7.410 4.147 498 HB2 PRO 78 2HB PRO 78 -3.578 8.826 6.687 499 HB3 PRO 78 1HB PRO 78 -3.439 7.101 6.345 500 HG2 PRO 78 2HG PRO 78 -1.299 8.638 6.948 501 HG3 PRO 78 1HG PRO 78 -1.199 7.241 5.861 502 HD2 PRO 78 2HD PRO 78 -1.326 10.158 5.194 503 HD3 PRO 78 1HD PRO 78 -0.353 8.869 4.452 504 H LEU 79 H LEU 79 -5.917 7.965 3.683 505 HA LEU 79 HA LEU 79 -6.800 10.732 4.142 506 HB2 LEU 79 1HB LEU 79 -8.239 8.582 2.600 507 HB3 LEU 79 2HB LEU 79 -8.500 10.311 2.524 508 HG LEU 79 HG LEU 79 -6.065 8.855 1.494 509 HD11 LEU 79 1HD1 LEU 79 -8.357 10.148 0.031 510 HD12 LEU 79 2HD1 LEU 79 -8.048 8.416 0.168 511 HD13 LEU 79 3HD1 LEU 79 -6.919 9.446 -0.709 512 HD21 LEU 79 3HD2 LEU 79 -5.536 11.037 0.438 513 HD22 LEU 79 1HD2 LEU 79 -5.431 11.054 2.201 514 HD23 LEU 79 2HD2 LEU 79 -6.828 11.767 1.388 515 H SER 80 H SER 80 -7.204 10.509 6.389 516 HA SER 80 HA SER 80 -9.201 8.509 7.172 517 HB2 SER 80 1HB SER 80 -8.523 9.203 9.506 518 HB3 SER 80 2HB SER 80 -7.234 8.482 8.545 519 HG SER 80 HG SER 80 -6.889 10.592 9.773 520 H VAL 81 H VAL 81 -8.557 11.977 7.254 521 HA VAL 81 HA VAL 81 -11.277 12.473 8.180 522 HB VAL 81 HB VAL 81 -10.521 14.891 8.220 523 HG11 VAL 81 1HG1 VAL 81 -9.214 14.574 10.304 524 HG12 VAL 81 2HG1 VAL 81 -9.099 12.853 9.933 525 HG13 VAL 81 3HG1 VAL 81 -10.673 13.586 10.244 526 HG21 VAL 81 3HG2 VAL 81 -8.095 15.288 8.273 527 HG22 VAL 81 1HG2 VAL 81 -8.620 14.702 6.696 528 HG23 VAL 81 2HG2 VAL 81 -7.814 13.608 7.820 529 H ILE 82 H ILE 82 -12.713 12.330 6.596 530 HA ILE 82 HA ILE 82 -12.139 12.881 3.873 531 HB ILE 82 HB ILE 82 -14.796 12.553 5.241 532 HG12 ILE 82 1HG1 ILE 82 -13.370 10.586 5.449 533 HG13 ILE 82 2HG1 ILE 82 -14.691 10.267 4.336 534 HG21 ILE 82 1HG2 ILE 82 -15.034 13.735 3.115 535 HG22 ILE 82 2HG2 ILE 82 -15.702 12.105 3.016 536 HG23 ILE 82 3HG2 ILE 82 -14.128 12.457 2.303 537 HD11 ILE 82 3HD1 ILE 82 -11.840 10.874 3.599 538 HD12 ILE 82 1HD1 ILE 82 -13.158 10.654 2.447 539 HD13 ILE 82 2HD1 ILE 82 -12.658 9.317 3.481 540 H GLY 83 H GLY 83 -12.640 14.627 2.612 541 HA2 GLY 83 1HA GLY 83 -13.706 16.802 2.330 542 HA3 GLY 83 2HA GLY 83 -13.467 17.062 4.056 543 H VAL 84 H VAL 84 -11.989 18.644 4.279 544 HA VAL 84 HA VAL 84 -9.823 19.030 2.491 545 HB VAL 84 HB VAL 84 -8.860 20.463 4.352 546 HG11 VAL 84 1HG1 VAL 84 -10.200 21.391 2.544 547 HG12 VAL 84 2HG1 VAL 84 -10.545 22.220 4.061 548 HG13 VAL 84 3HG1 VAL 84 -11.679 21.025 3.434 549 HG21 VAL 84 3HG2 VAL 84 -10.340 21.031 6.214 550 HG22 VAL 84 1HG2 VAL 84 -9.909 19.321 6.247 551 HG23 VAL 84 2HG2 VAL 84 -11.499 19.819 5.672 552 H GLY 85 H GLY 85 -8.163 17.737 2.233 553 HA2 GLY 85 1HA GLY 85 -6.158 16.739 3.157 554 HA3 GLY 85 2HA GLY 85 -7.093 16.308 4.584 555 H GLY 86 H GLY 86 -8.993 14.829 4.139 556 HA2 GLY 86 1HA GLY 86 -8.003 12.455 2.951 557 HA3 GLY 86 2HA GLY 86 -9.631 12.701 3.561 558 H ASN 87 H ASN 87 -10.489 14.768 1.904 559 HA ASN 87 HA ASN 87 -10.763 13.273 -0.601 560 HB2 ASN 87 1HB ASN 87 -12.813 14.034 0.664 561 HB3 ASN 87 2HB ASN 87 -12.350 15.692 0.297 562 HD21 ASN 87 2HD2 ASN 87 -14.265 16.020 -0.850 563 HD22 ASN 87 1HD2 ASN 87 -14.506 15.354 -2.426 564 H SER 88 H SER 88 -8.442 14.927 0.266 565 HA SER 88 HA SER 88 -8.389 16.806 -1.993 566 HB2 SER 88 1HB SER 88 -6.594 16.746 0.446 567 HB3 SER 88 2HB SER 88 -6.599 17.974 -0.820 568 HG SER 88 HG SER 88 -9.047 17.928 -0.068 569 H CYS 89 H CYS 89 -7.967 13.845 -1.861 570 HA CYS 89 HA CYS 89 -5.213 13.373 -2.430 571 HB2 CYS 89 2HB CYS 89 -6.400 11.488 -1.648 572 HB3 CYS 89 1HB CYS 89 -7.731 11.755 -2.758 573 H SER 90 H SER 90 -4.231 14.131 -4.169 574 HA SER 90 HA SER 90 -5.739 14.452 -6.663 575 HB2 SER 90 1HB SER 90 -4.476 16.414 -5.799 576 HB3 SER 90 2HB SER 90 -2.984 15.486 -5.935 577 HG SER 90 HG SER 90 -4.032 15.261 -8.272 578 H ALA 91 H ALA 91 -3.672 12.336 -5.117 579 HA ALA 91 HA ALA 91 -2.470 11.306 -7.567 580 HB1 ALA 91 3HB ALA 91 -1.222 9.802 -6.093 581 HB2 ALA 91 1HB ALA 91 -2.133 10.396 -4.705 582 HB3 ALA 91 2HB ALA 91 -1.049 11.480 -5.577 583 H GLN 92 H GLN 92 -2.435 8.545 -6.649 584 HA GLN 92 HA GLN 92 -5.029 7.798 -7.653 585 HB2 GLN 92 1HB GLN 92 -3.581 6.388 -8.663 586 HB3 GLN 92 2HB GLN 92 -2.343 6.637 -7.432 587 HG2 GLN 92 1HG GLN 92 -3.974 5.200 -5.999 588 HG3 GLN 92 2HG GLN 92 -4.485 4.594 -7.573 589 HE21 GLN 92 2HE2 GLN 92 -2.030 4.786 -5.248 590 HE22 GLN 92 1HE2 GLN 92 -0.949 3.631 -5.940 591 H THR 93 H THR 93 -6.607 6.745 -6.471 592 HA THR 93 HA THR 93 -6.103 6.740 -3.580 593 HB THR 93 HB THR 93 -8.895 6.781 -4.581 594 HG1 THR 93 1HG THR 93 -7.013 8.896 -4.909 595 HG21 THR 93 3HG2 THR 93 -8.286 6.846 -2.180 596 HG22 THR 93 1HG2 THR 93 -9.171 8.286 -2.690 597 HG23 THR 93 2HG2 THR 93 -7.420 8.359 -2.466 598 H VAL 94 H VAL 94 -6.055 4.865 -2.622 599 HA VAL 94 HA VAL 94 -7.684 2.646 -3.658 600 HB VAL 94 HB VAL 94 -5.740 1.139 -2.847 601 HG11 VAL 94 1HG1 VAL 94 -6.345 1.143 -5.142 602 HG12 VAL 94 2HG1 VAL 94 -4.598 1.338 -5.072 603 HG13 VAL 94 3HG1 VAL 94 -5.629 2.732 -5.399 604 HG21 VAL 94 3HG2 VAL 94 -4.528 3.109 -1.863 605 HG22 VAL 94 1HG2 VAL 94 -4.138 3.588 -3.519 606 HG23 VAL 94 2HG2 VAL 94 -3.562 2.041 -2.882 607 H CYS 95 H CYS 95 -7.937 0.919 -2.071 608 HA CYS 95 HA CYS 95 -8.119 1.991 0.660 609 HB2 CYS 95 2HB CYS 95 -10.274 1.367 -0.401 610 HB3 CYS 95 1HB CYS 95 -9.675 -0.272 -0.619 611 H CYS 96 H CYS 96 -6.475 1.304 1.852 612 HA CYS 96 HA CYS 96 -5.298 -1.330 1.290 613 HB2 CYS 96 2HB CYS 96 -4.047 0.980 2.778 614 HB3 CYS 96 1HB CYS 96 -3.242 -0.473 2.189 615 H THR 97 H THR 97 -4.588 -2.617 3.092 616 HA THR 97 HA THR 97 -6.648 -2.562 5.139 617 HB THR 97 HB THR 97 -6.143 -4.668 3.941 618 HG1 THR 97 1HG THR 97 -5.684 -4.597 6.754 619 HG21 THR 97 3HG2 THR 97 -4.102 -5.894 4.379 620 HG22 THR 97 1HG2 THR 97 -3.516 -4.602 5.425 621 HG23 THR 97 2HG2 THR 97 -3.708 -4.318 3.696 622 H ASN 98 H ASN 98 -3.248 -1.964 4.806 623 HA ASN 98 HA ASN 98 -3.124 -0.964 7.527 624 HB2 ASN 98 1HB ASN 98 -1.263 -3.164 6.593 625 HB3 ASN 98 2HB ASN 98 -1.020 -2.215 8.045 626 HD21 ASN 98 2HD2 ASN 98 -2.532 -2.463 9.773 627 HD22 ASN 98 1HD2 ASN 98 -3.442 -3.925 9.934 628 H THR 99 H THR 99 -0.920 0.078 7.904 629 HA THR 99 HA THR 99 0.318 0.981 5.411 630 HB THR 99 HB THR 99 -1.350 2.671 5.885 631 HG1 THR 99 1HG THR 99 0.640 3.448 5.120 632 HG21 THR 99 3HG2 THR 99 -1.660 2.269 8.272 633 HG22 THR 99 1HG2 THR 99 -1.330 3.973 7.963 634 HG23 THR 99 2HG2 THR 99 -0.059 2.930 8.601 635 H TYR 100 H TYR 100 2.487 1.501 5.580 636 HA TYR 100 HA TYR 100 3.642 1.534 8.292 637 HB2 TYR 100 2HB TYR 100 4.920 0.101 5.949 638 HB3 TYR 100 1HB TYR 100 5.535 0.186 7.589 639 HD1 TYR 100 1HD TYR 100 3.007 -1.327 5.399 640 HD2 TYR 100 2HD TYR 100 4.663 -1.253 9.316 641 HE1 TYR 100 1HE TYR 100 1.844 -3.427 5.923 642 HE2 TYR 100 2HE TYR 100 3.500 -3.353 9.851 643 HH TYR 100 HH TYR 100 1.913 -5.247 7.414 644 H GLN 101 H GLN 101 5.531 2.788 8.511 645 HA GLN 101 HA GLN 101 7.082 4.388 8.055 646 HB2 GLN 101 1HB GLN 101 6.696 3.141 5.365 647 HB3 GLN 101 2HB GLN 101 7.721 4.557 5.539 648 HG2 GLN 101 1HG GLN 101 8.119 2.135 7.247 649 HG3 GLN 101 2HG GLN 101 8.809 2.257 5.627 650 HE21 GLN 101 2HE2 GLN 101 10.403 3.699 5.213 651 HE22 GLN 101 1HE2 GLN 101 11.261 4.545 6.442 652 H HIS 102 H HIS 102 4.235 5.063 8.056 653 HA HIS 102 HA HIS 102 2.948 6.916 7.844 654 HB2 HIS 102 1HB HIS 102 5.542 8.124 6.901 655 HB3 HIS 102 2HB HIS 102 4.054 9.054 7.032 656 HD1 HIS 102 HD1 HIS 102 3.518 10.010 9.281 657 HD2 HIS 102 HD2 HIS 102 6.467 7.081 9.459 658 HE1 HIS 102 HE1 HIS 102 4.360 10.033 11.653 659 HE2 HIS 102 HE2 HIS 102 6.107 8.224 11.752 660 H GLY 103 H GLY 103 4.179 5.252 5.286 661 HA2 GLY 103 1HA GLY 103 2.155 5.111 3.670 662 HA3 GLY 103 2HA GLY 103 2.633 6.763 3.313 663 H LEU 104 H LEU 104 5.507 5.627 3.903 664 HA LEU 104 HA LEU 104 6.423 5.538 1.303 665 HB2 LEU 104 1HB LEU 104 7.653 4.059 3.622 666 HB3 LEU 104 2HB LEU 104 8.465 4.538 2.148 667 HG LEU 104 HG LEU 104 7.445 6.359 4.320 668 HD11 LEU 104 1HD1 LEU 104 9.768 6.954 4.585 669 HD12 LEU 104 2HD1 LEU 104 10.219 5.857 3.282 670 HD13 LEU 104 3HD1 LEU 104 9.559 5.213 4.786 671 HD21 LEU 104 3HD2 LEU 104 7.003 7.442 2.261 672 HD22 LEU 104 1HD2 LEU 104 8.599 7.016 1.637 673 HD23 LEU 104 2HD2 LEU 104 8.452 8.158 2.971 674 H VAL 105 H VAL 105 5.304 2.912 3.330 675 HA VAL 105 HA VAL 105 4.924 1.277 0.913 676 HB VAL 105 HB VAL 105 5.394 -0.716 2.566 677 HG11 VAL 105 1HG1 VAL 105 6.629 -0.233 0.476 678 HG12 VAL 105 2HG1 VAL 105 7.685 -0.833 1.753 679 HG13 VAL 105 3HG1 VAL 105 7.664 0.886 1.366 680 HG21 VAL 105 3HG2 VAL 105 7.067 -0.298 4.207 681 HG22 VAL 105 1HG2 VAL 105 5.754 0.843 4.483 682 HG23 VAL 105 2HG2 VAL 105 7.234 1.380 3.692 683 H ASN 106 H ASN 106 3.064 0.137 0.908 684 HA ASN 106 HA ASN 106 1.278 0.352 3.223 685 HB2 ASN 106 1HB ASN 106 1.155 1.978 0.941 686 HB3 ASN 106 2HB ASN 106 -0.130 0.795 0.718 687 HD21 ASN 106 2HD2 ASN 106 -1.690 2.401 0.968 688 HD22 ASN 106 1HD2 ASN 106 -2.059 3.080 2.513 689 H VAL 107 H VAL 107 -0.585 -1.218 3.023 690 HA VAL 107 HA VAL 107 0.065 -3.403 1.164 691 HB VAL 107 HB VAL 107 -0.415 -5.050 3.014 692 HG11 VAL 107 1HG1 VAL 107 1.868 -4.954 3.916 693 HG12 VAL 107 2HG1 VAL 107 2.045 -3.320 3.276 694 HG13 VAL 107 3HG1 VAL 107 1.842 -4.681 2.174 695 HG21 VAL 107 3HG2 VAL 107 0.066 -2.634 4.748 696 HG22 VAL 107 1HG2 VAL 107 -0.045 -4.302 5.310 697 HG23 VAL 107 2HG2 VAL 107 -1.451 -3.518 4.588 698 H GLY 108 H GLY 108 -1.546 -4.800 0.618 699 HA2 GLY 108 1HA GLY 108 -3.668 -5.550 0.214 700 HA3 GLY 108 2HA GLY 108 -4.078 -4.971 1.822 701 H CYS 109 H CYS 109 -3.094 -3.359 -1.187 702 HA CYS 109 HA CYS 109 -5.196 -1.390 -0.684 703 HB2 CYS 109 2HB CYS 109 -2.885 -1.317 -2.632 704 HB3 CYS 109 1HB CYS 109 -4.015 -0.014 -2.356 705 H THR 110 H THR 110 -7.018 -1.423 -1.766 706 HA THR 110 HA THR 110 -7.063 -2.688 -4.421 707 HB THR 110 HB THR 110 -9.543 -2.991 -3.978 708 HG1 THR 110 1HG THR 110 -8.767 -2.725 -1.246 709 HG21 THR 110 3HG2 THR 110 -7.998 -4.868 -3.921 710 HG22 THR 110 1HG2 THR 110 -9.216 -5.040 -2.657 711 HG23 THR 110 2HG2 THR 110 -7.588 -4.502 -2.245 712 HA PRO 111 HA PRO 111 -7.968 1.348 -5.947 713 HB2 PRO 111 2HB PRO 111 -9.436 -0.046 -8.108 714 HB3 PRO 111 1HB PRO 111 -8.049 1.043 -8.220 715 HG2 PRO 111 2HG PRO 111 -7.693 -1.549 -8.625 716 HG3 PRO 111 1HG PRO 111 -6.533 -0.653 -7.625 717 HD2 PRO 111 2HD PRO 111 -8.855 -2.348 -6.732 718 HD3 PRO 111 1HD PRO 111 -7.163 -2.418 -6.206 719 H ILE 112 H ILE 112 -9.393 2.483 -4.803 720 HA ILE 112 HA ILE 112 -12.149 1.551 -4.584 721 HB ILE 112 HB ILE 112 -11.115 2.089 -2.468 722 HG12 ILE 112 1HG1 ILE 112 -13.086 4.247 -3.260 723 HG13 ILE 112 2HG1 ILE 112 -13.499 2.633 -2.701 724 HG21 ILE 112 1HG2 ILE 112 -9.395 3.615 -3.219 725 HG22 ILE 112 2HG2 ILE 112 -10.346 4.357 -1.933 726 HG23 ILE 112 3HG2 ILE 112 -10.611 4.829 -3.610 727 HD11 ILE 112 3HD1 ILE 112 -13.775 4.304 -0.945 728 HD12 ILE 112 1HD1 ILE 112 -12.069 4.731 -1.081 729 HD13 ILE 112 2HD1 ILE 112 -12.534 3.125 -0.523 730 H ASN 113 H ASN 113 -13.792 2.500 -5.547 731 HA ASN 113 HA ASN 113 -13.336 4.926 -7.102 732 HB2 ASN 113 1HB ASN 113 -15.755 3.101 -6.970 733 HB3 ASN 113 2HB ASN 113 -15.559 4.460 -8.072 734 HD21 ASN 113 2HD2 ASN 113 -14.634 1.202 -7.343 735 HD22 ASN 113 1HD2 ASN 113 -13.814 0.886 -8.831 736 H ILE 114 H ILE 114 -13.396 6.646 -5.765 737 HA ILE 114 HA ILE 114 -14.998 6.752 -3.444 738 HB ILE 114 HB ILE 114 -14.444 9.330 -3.681 739 HG12 ILE 114 1HG1 ILE 114 -12.253 9.645 -4.780 740 HG13 ILE 114 2HG1 ILE 114 -12.339 8.008 -5.415 741 HG21 ILE 114 1HG2 ILE 114 -12.342 8.889 -2.492 742 HG22 ILE 114 2HG2 ILE 114 -12.442 7.196 -2.973 743 HG23 ILE 114 3HG2 ILE 114 -13.668 7.884 -1.909 744 HD11 ILE 114 3HD1 ILE 114 -12.925 9.536 -7.137 745 HD12 ILE 114 1HD1 ILE 114 -14.107 10.333 -6.100 746 HD13 ILE 114 2HD1 ILE 114 -14.385 8.681 -6.641 747 H GLY 115 H GLY 115 -15.673 7.537 -6.732 748 HA2 GLY 115 1HA GLY 115 -17.946 7.512 -7.436 749 HA3 GLY 115 2HA GLY 115 -18.411 8.137 -5.864 750 H LEU 116 H LEU 116 -16.115 10.164 -6.167 751 HA LEU 116 HA LEU 116 -17.766 12.041 -7.692 752 HB2 LEU 116 1HB LEU 116 -16.612 13.834 -6.492 753 HB3 LEU 116 2HB LEU 116 -17.462 12.738 -5.426 754 HG LEU 116 HG LEU 116 -14.541 12.307 -5.879 755 HD11 LEU 116 1HD1 LEU 116 -15.724 14.380 -4.041 756 HD12 LEU 116 2HD1 LEU 116 -14.757 14.702 -5.479 757 HD13 LEU 116 3HD1 LEU 116 -14.031 13.888 -4.093 758 HD21 LEU 116 3HD2 LEU 116 -14.656 11.560 -3.555 759 HD22 LEU 116 1HD2 LEU 116 -15.839 10.709 -4.545 760 HD23 LEU 116 2HD2 LEU 116 -16.358 12.017 -3.483 Start of MODEL 2 1 H1 LYS 10 1H LYS 10 -25.374 3.581 -32.577 2 H2 LYS 10 2H LYS 10 -27.030 3.506 -32.246 3 H3 LYS 10 3H LYS 10 -26.218 2.128 -32.793 4 HA LYS 10 HA LYS 10 -26.626 1.948 -30.451 5 HB2 LYS 10 1HB LYS 10 -23.732 2.496 -31.146 6 HB3 LYS 10 2HB LYS 10 -24.260 1.708 -29.668 7 HG2 LYS 10 1HG LYS 10 -24.786 0.663 -32.440 8 HG3 LYS 10 2HG LYS 10 -23.466 0.135 -31.396 9 HD2 LYS 10 1HD LYS 10 -25.092 -0.613 -29.726 10 HD3 LYS 10 2HD LYS 10 -26.411 -0.083 -30.771 11 HE2 LYS 10 1HE LYS 10 -25.696 -1.680 -32.479 12 HE3 LYS 10 2HE LYS 10 -24.373 -2.204 -31.437 13 HZ1 LYS 10 3HZ LYS 10 -27.264 -2.451 -30.811 14 HZ2 LYS 10 1HZ LYS 10 -25.995 -2.957 -29.816 15 HZ3 LYS 10 2HZ LYS 10 -26.254 -3.709 -31.305 16 H ALA 11 H ALA 11 -27.373 3.166 -28.868 17 HA ALA 11 HA ALA 11 -27.709 4.891 -27.434 18 HB1 ALA 11 3HB ALA 11 -25.736 5.937 -26.443 19 HB2 ALA 11 1HB ALA 11 -24.731 5.287 -27.739 20 HB3 ALA 11 2HB ALA 11 -25.513 4.194 -26.599 21 H MET 12 H MET 12 -28.927 5.899 -29.197 22 HA MET 12 HA MET 12 -27.564 7.904 -30.775 23 HB2 MET 12 1HB MET 12 -30.371 6.842 -30.735 24 HB3 MET 12 2HB MET 12 -29.968 8.293 -31.638 25 HG2 MET 12 1HG MET 12 -29.917 6.451 -33.136 26 HG3 MET 12 2HG MET 12 -28.261 6.984 -32.873 27 HE1 MET 12 3HE MET 12 -30.882 4.135 -32.408 28 HE2 MET 12 1HE MET 12 -30.715 4.731 -30.757 29 HE3 MET 12 2HE MET 12 -30.129 3.123 -31.178 30 H ALA 13 H ALA 13 -27.349 8.550 -28.150 31 HA ALA 13 HA ALA 13 -27.504 10.310 -26.731 32 HB1 ALA 13 3HB ALA 13 -27.860 12.502 -27.724 33 HB2 ALA 13 1HB ALA 13 -28.500 11.749 -29.185 34 HB3 ALA 13 2HB ALA 13 -26.809 11.515 -28.739 35 H ASP 14 H ASP 14 -29.799 8.569 -26.768 36 HA ASP 14 HA ASP 14 -32.039 10.402 -26.351 37 HB2 ASP 14 1HB ASP 14 -33.457 8.484 -26.268 38 HB3 ASP 14 2HB ASP 14 -32.341 8.218 -27.600 39 H ILE 15 H ILE 15 -33.128 10.542 -24.345 40 HA ILE 15 HA ILE 15 -31.461 9.706 -22.062 41 HB ILE 15 HB ILE 15 -33.097 12.241 -22.252 42 HG12 ILE 15 1HG1 ILE 15 -31.149 12.365 -23.722 43 HG13 ILE 15 2HG1 ILE 15 -30.931 13.414 -22.327 44 HG21 ILE 15 1HG2 ILE 15 -31.977 12.855 -20.163 45 HG22 ILE 15 2HG2 ILE 15 -31.177 11.284 -20.134 46 HG23 ILE 15 3HG2 ILE 15 -32.931 11.384 -19.983 47 HD11 ILE 15 3HD1 ILE 15 -29.501 11.705 -21.297 48 HD12 ILE 15 1HD1 ILE 15 -28.878 12.272 -22.846 49 HD13 ILE 15 2HD1 ILE 15 -29.686 10.708 -22.741 50 H GLY 16 H GLY 16 -32.561 7.989 -21.286 51 HA2 GLY 16 1HA GLY 16 -35.450 8.234 -20.842 52 HA3 GLY 16 2HA GLY 16 -34.494 6.769 -20.660 53 H SER 17 H SER 17 -32.427 8.281 -19.181 54 HA SER 17 HA SER 17 -33.851 8.723 -16.645 55 HB2 SER 17 1HB SER 17 -31.140 7.413 -16.993 56 HB3 SER 17 2HB SER 17 -32.004 7.647 -15.471 57 HG SER 17 HG SER 17 -33.735 6.397 -16.829 58 H THR 18 H THR 18 -33.622 10.734 -15.990 59 HA THR 18 HA THR 18 -32.087 12.658 -17.298 60 HB THR 18 HB THR 18 -33.054 12.923 -14.453 61 HG1 THR 18 1HG THR 18 -34.502 12.863 -16.895 62 HG21 THR 18 3HG2 THR 18 -33.418 15.257 -15.099 63 HG22 THR 18 1HG2 THR 18 -32.835 14.904 -16.725 64 HG23 THR 18 2HG2 THR 18 -31.737 14.788 -15.350 65 H ALA 19 H ALA 19 -31.421 10.818 -14.365 66 HA ALA 19 HA ALA 19 -28.602 11.496 -14.590 67 HB1 ALA 19 3HB ALA 19 -28.393 12.174 -12.258 68 HB2 ALA 19 1HB ALA 19 -30.137 12.013 -12.045 69 HB3 ALA 19 2HB ALA 19 -29.490 13.249 -13.126 70 H VAL 20 H VAL 20 -30.922 9.964 -12.374 71 HA VAL 20 HA VAL 20 -29.316 7.508 -12.527 72 HB VAL 20 HB VAL 20 -30.030 7.045 -10.147 73 HG11 VAL 20 1HG1 VAL 20 -27.765 7.743 -10.679 74 HG12 VAL 20 2HG1 VAL 20 -28.287 8.461 -9.155 75 HG13 VAL 20 3HG1 VAL 20 -28.254 9.437 -10.625 76 HG21 VAL 20 3HG2 VAL 20 -30.666 8.944 -8.751 77 HG22 VAL 20 1HG2 VAL 20 -31.860 8.667 -10.017 78 HG23 VAL 20 2HG2 VAL 20 -30.701 9.988 -10.172 79 HA PRO 21 HA PRO 21 -33.101 5.738 -14.082 80 HB2 PRO 21 2HB PRO 21 -31.803 3.256 -13.076 81 HB3 PRO 21 1HB PRO 21 -32.476 3.608 -14.671 82 HG2 PRO 21 2HG PRO 21 -29.846 3.557 -14.293 83 HG3 PRO 21 1HG PRO 21 -30.589 4.764 -15.359 84 HD2 PRO 21 2HD PRO 21 -29.521 5.080 -12.588 85 HD3 PRO 21 1HD PRO 21 -29.460 6.206 -13.959 86 H ARG 22 H ARG 22 -31.773 4.993 -10.904 87 HA ARG 22 HA ARG 22 -34.526 4.569 -9.938 88 HB2 ARG 22 1HB ARG 22 -31.992 3.312 -8.866 89 HB3 ARG 22 2HB ARG 22 -33.605 3.089 -8.206 90 HG2 ARG 22 1HG ARG 22 -34.315 1.992 -10.258 91 HG3 ARG 22 2HG ARG 22 -32.714 2.249 -10.956 92 HD2 ARG 22 1HD ARG 22 -33.346 0.610 -8.506 93 HD3 ARG 22 2HD ARG 22 -32.941 -0.022 -10.101 94 HE ARG 22 HE ARG 22 -30.824 1.556 -9.492 95 HH11 ARG 22 1HH1 ARG 22 -32.418 -1.097 -7.864 96 HH12 ARG 22 2HH1 ARG 22 -30.989 -1.617 -7.031 97 HH21 ARG 22 1HH2 ARG 22 -28.935 0.881 -8.397 98 HH22 ARG 22 2HH2 ARG 22 -29.004 -0.489 -7.335 99 H ASP 23 H ASP 23 -35.151 5.781 -8.206 100 HA ASP 23 HA ASP 23 -33.380 7.940 -7.442 101 HB2 ASP 23 1HB ASP 23 -36.274 7.335 -6.907 102 HB3 ASP 23 2HB ASP 23 -35.435 8.606 -6.025 103 H VAL 24 H VAL 24 -32.131 5.870 -6.571 104 HA VAL 24 HA VAL 24 -32.701 5.716 -3.684 105 HB VAL 24 HB VAL 24 -31.114 3.738 -5.338 106 HG11 VAL 24 1HG1 VAL 24 -30.399 3.848 -3.017 107 HG12 VAL 24 2HG1 VAL 24 -31.232 2.328 -3.338 108 HG13 VAL 24 3HG1 VAL 24 -32.062 3.624 -2.479 109 HG21 VAL 24 3HG2 VAL 24 -33.005 2.214 -5.044 110 HG22 VAL 24 1HG2 VAL 24 -33.469 3.652 -5.950 111 HG23 VAL 24 2HG2 VAL 24 -33.917 3.498 -4.254 112 H ASN 25 H ASN 25 -31.344 6.906 -2.524 113 HA ASN 25 HA ASN 25 -28.898 7.903 -3.699 114 HB2 ASN 25 1HB ASN 25 -30.204 8.390 -1.015 115 HB3 ASN 25 2HB ASN 25 -28.697 9.145 -1.518 116 HD21 ASN 25 2HD2 ASN 25 -28.731 10.676 -3.178 117 HD22 ASN 25 1HD2 ASN 25 -30.193 11.473 -3.650 118 H GLY 26 H GLY 26 -28.775 5.174 -3.455 119 HA2 GLY 26 1HA GLY 26 -27.492 4.332 -1.046 120 HA3 GLY 26 2HA GLY 26 -27.566 3.433 -2.555 121 H GLY 27 H GLY 27 -25.366 4.151 -0.557 122 HA2 GLY 27 1HA GLY 27 -23.065 3.985 -1.599 123 HA3 GLY 27 2HA GLY 27 -23.523 5.448 -2.460 124 H THR 28 H THR 28 -21.294 5.653 -1.049 125 HA THR 28 HA THR 28 -22.068 7.475 1.087 126 HB THR 28 HB THR 28 -19.943 5.409 1.601 127 HG1 THR 28 1HG THR 28 -22.728 5.300 2.003 128 HG21 THR 28 3HG2 THR 28 -20.400 6.055 3.975 129 HG22 THR 28 1HG2 THR 28 -21.420 7.353 3.358 130 HG23 THR 28 2HG2 THR 28 -19.696 7.330 2.983 131 HA PRO 29 HA PRO 29 -18.917 9.808 -1.072 132 HB2 PRO 29 2HB PRO 29 -19.073 11.541 1.298 133 HB3 PRO 29 1HB PRO 29 -19.348 11.926 -0.397 134 HG2 PRO 29 2HG PRO 29 -21.349 11.717 1.437 135 HG3 PRO 29 1HG PRO 29 -21.566 11.416 -0.292 136 HD2 PRO 29 2HD PRO 29 -21.436 9.480 1.954 137 HD3 PRO 29 1HD PRO 29 -22.243 9.346 0.382 138 HA PRO 30 HA PRO 30 -15.609 9.349 2.341 139 HB2 PRO 30 2HB PRO 30 -16.208 8.711 4.849 140 HB3 PRO 30 1HB PRO 30 -16.305 10.379 4.286 141 HG2 PRO 30 2HG PRO 30 -18.489 8.371 4.655 142 HG3 PRO 30 1HG PRO 30 -18.461 10.085 5.111 143 HD2 PRO 30 2HD PRO 30 -19.666 9.165 2.843 144 HD3 PRO 30 1HD PRO 30 -18.975 10.787 2.995 145 H LYS 31 H LYS 31 -16.861 7.343 0.776 146 HA LYS 31 HA LYS 31 -16.960 4.848 2.114 147 HB2 LYS 31 1HB LYS 31 -17.921 5.220 -0.134 148 HB3 LYS 31 2HB LYS 31 -16.302 5.444 -0.769 149 HG2 LYS 31 1HG LYS 31 -17.122 3.232 -1.291 150 HG3 LYS 31 2HG LYS 31 -15.748 3.135 -0.190 151 HD2 LYS 31 1HD LYS 31 -17.226 2.762 1.686 152 HD3 LYS 31 2HD LYS 31 -18.640 2.997 0.658 153 HE2 LYS 31 1HE LYS 31 -16.600 0.792 0.382 154 HE3 LYS 31 2HE LYS 31 -18.211 0.623 1.074 155 HZ1 LYS 31 3HZ LYS 31 -18.227 -0.129 -1.185 156 HZ2 LYS 31 1HZ LYS 31 -17.561 1.322 -1.736 157 HZ3 LYS 31 2HZ LYS 31 -19.123 1.297 -1.093 158 H SER 32 H SER 32 -15.329 3.610 2.858 159 HA SER 32 HA SER 32 -12.660 3.928 1.804 160 HB2 SER 32 1HB SER 32 -11.838 4.403 4.229 161 HB3 SER 32 2HB SER 32 -12.468 5.730 3.254 162 HG SER 32 HG SER 32 -14.533 5.304 4.303 163 H CYS 33 H CYS 33 -11.247 2.791 3.913 164 HA CYS 33 HA CYS 33 -11.925 0.048 3.464 165 HB2 CYS 33 2HB CYS 33 -9.743 1.277 5.160 166 HB3 CYS 33 1HB CYS 33 -9.848 -0.417 4.689 167 H SER 34 H SER 34 -11.596 -1.456 5.468 168 HA SER 34 HA SER 34 -13.648 -0.705 7.381 169 HB2 SER 34 1HB SER 34 -12.140 -3.318 7.199 170 HB3 SER 34 2HB SER 34 -13.700 -3.028 7.969 171 HG SER 34 HG SER 34 -13.108 -2.908 5.192 172 H SER 35 H SER 35 -10.204 -1.144 7.211 173 HA SER 35 HA SER 35 -9.940 -0.990 10.113 174 HB2 SER 35 1HB SER 35 -7.488 -1.414 9.548 175 HB3 SER 35 2HB SER 35 -8.613 -2.721 9.184 176 HG SER 35 HG SER 35 -6.966 -1.905 7.515 177 H GLY 36 H GLY 36 -10.476 1.229 7.919 178 HA2 GLY 36 1HA GLY 36 -9.663 3.417 9.294 179 HA3 GLY 36 2HA GLY 36 -8.247 3.003 8.341 180 HA PRO 37 HA PRO 37 -11.134 5.709 5.847 181 HB2 PRO 37 2HB PRO 37 -8.884 7.562 5.702 182 HB3 PRO 37 1HB PRO 37 -10.525 7.846 6.284 183 HG2 PRO 37 2HG PRO 37 -8.401 7.799 7.947 184 HG3 PRO 37 1HG PRO 37 -10.005 7.232 8.446 185 HD2 PRO 37 2HD PRO 37 -7.634 5.641 7.531 186 HD3 PRO 37 1HD PRO 37 -8.715 5.348 8.912 187 H VAL 38 H VAL 38 -9.805 7.241 3.847 188 HA VAL 38 HA VAL 38 -9.194 5.046 2.046 189 HB VAL 38 HB VAL 38 -9.346 7.994 1.381 190 HG11 VAL 38 1HG1 VAL 38 -8.283 6.669 -0.348 191 HG12 VAL 38 2HG1 VAL 38 -9.881 7.190 -0.881 192 HG13 VAL 38 3HG1 VAL 38 -9.630 5.532 -0.335 193 HG21 VAL 38 3HG2 VAL 38 -11.416 7.300 2.433 194 HG22 VAL 38 1HG2 VAL 38 -11.529 5.932 1.328 195 HG23 VAL 38 2HG2 VAL 38 -11.655 7.577 0.707 196 H TYR 39 H TYR 39 -7.358 5.344 0.466 197 HA TYR 39 HA TYR 39 -5.089 6.769 1.663 198 HB2 TYR 39 2HB TYR 39 -4.947 3.985 0.484 199 HB3 TYR 39 1HB TYR 39 -3.599 4.907 1.135 200 HD1 TYR 39 2HD TYR 39 -6.676 3.067 2.008 201 HD2 TYR 39 1HD TYR 39 -3.202 5.025 3.486 202 HE1 TYR 39 2HE TYR 39 -7.086 2.105 4.237 203 HE2 TYR 39 1HE TYR 39 -3.605 4.074 5.716 204 HH TYR 39 HH TYR 39 -5.434 3.191 7.028 205 H CYS 40 H CYS 40 -3.741 7.757 0.252 206 HA CYS 40 HA CYS 40 -4.425 7.547 -2.606 207 HB2 CYS 40 2HB CYS 40 -5.028 9.712 -1.618 208 HB3 CYS 40 1HB CYS 40 -3.371 9.928 -1.075 209 H CYS 41 H CYS 41 -2.852 6.284 -3.486 210 HA CYS 41 HA CYS 41 -0.095 6.720 -2.564 211 HB2 CYS 41 2HB CYS 41 -1.184 4.469 -4.272 212 HB3 CYS 41 1HB CYS 41 0.431 4.572 -3.582 213 H ASN 42 H ASN 42 1.312 7.690 -3.825 214 HA ASN 42 HA ASN 42 0.552 9.046 -6.160 215 HB2 ASN 42 1HB ASN 42 3.271 8.325 -5.067 216 HB3 ASN 42 2HB ASN 42 3.033 9.399 -6.446 217 HD21 ASN 42 2HD2 ASN 42 4.221 9.913 -3.817 218 HD22 ASN 42 1HD2 ASN 42 3.317 11.222 -3.140 219 H LYS 43 H LYS 43 1.741 5.918 -5.558 220 HA LYS 43 HA LYS 43 0.965 4.962 -8.137 221 HB2 LYS 43 1HB LYS 43 3.857 5.146 -7.350 222 HB3 LYS 43 2HB LYS 43 3.318 3.741 -8.252 223 HG2 LYS 43 1HG LYS 43 2.883 6.561 -9.195 224 HG3 LYS 43 2HG LYS 43 4.314 5.614 -9.602 225 HD2 LYS 43 1HD LYS 43 1.489 4.731 -10.177 226 HD3 LYS 43 2HD LYS 43 2.508 5.583 -11.338 227 HE2 LYS 43 1HE LYS 43 3.144 2.924 -10.057 228 HE3 LYS 43 2HE LYS 43 2.534 3.154 -11.694 229 HZ1 LYS 43 3HZ LYS 43 5.126 4.168 -10.656 230 HZ2 LYS 43 1HZ LYS 43 4.537 4.398 -12.225 231 HZ3 LYS 43 2HZ LYS 43 4.922 2.844 -11.685 232 H THR 44 H THR 44 0.074 2.911 -7.737 233 HA THR 44 HA THR 44 0.819 1.631 -5.235 234 HB THR 44 HB THR 44 -0.721 -0.204 -6.010 235 HG1 THR 44 1HG THR 44 -2.070 1.354 -7.777 236 HG21 THR 44 3HG2 THR 44 -1.433 1.457 -4.423 237 HG22 THR 44 1HG2 THR 44 -2.747 1.120 -5.545 238 HG23 THR 44 2HG2 THR 44 -1.801 2.599 -5.718 239 H GLU 45 H GLU 45 1.492 -0.579 -5.176 240 HA GLU 45 HA GLU 45 3.351 -1.181 -7.380 241 HB2 GLU 45 1HB GLU 45 3.919 -0.558 -4.716 242 HB3 GLU 45 2HB GLU 45 4.141 -2.291 -4.825 243 HG2 GLU 45 1HG GLU 45 5.560 -0.113 -6.321 244 HG3 GLU 45 2HG GLU 45 6.237 -1.344 -5.259 245 H ASP 46 H ASP 46 3.573 -3.279 -7.977 246 HA ASP 46 HA ASP 46 1.284 -4.951 -7.626 247 HB2 ASP 46 1HB ASP 46 2.500 -4.824 -9.762 248 HB3 ASP 46 2HB ASP 46 3.929 -5.503 -8.994 249 H SER 47 H SER 47 1.034 -5.891 -5.667 250 HA SER 47 HA SER 47 3.207 -6.453 -3.945 251 HB2 SER 47 1HB SER 47 1.589 -7.269 -2.402 252 HB3 SER 47 2HB SER 47 0.850 -5.912 -3.243 253 HG SER 47 HG SER 47 -0.470 -7.257 -4.312 254 H LYS 48 H LYS 48 2.150 -8.208 -6.581 255 HA LYS 48 HA LYS 48 2.563 -10.830 -5.536 256 HB2 LYS 48 1HB LYS 48 2.446 -9.881 -8.405 257 HB3 LYS 48 2HB LYS 48 2.440 -11.559 -7.893 258 HG2 LYS 48 1HG LYS 48 0.229 -10.977 -8.414 259 HG3 LYS 48 2HG LYS 48 0.343 -11.059 -6.660 260 HD2 LYS 48 1HD LYS 48 0.443 -8.687 -6.485 261 HD3 LYS 48 2HD LYS 48 0.507 -8.511 -8.242 262 HE2 LYS 48 1HE LYS 48 -1.798 -9.657 -6.671 263 HE3 LYS 48 2HE LYS 48 -1.728 -8.028 -7.340 264 HZ1 LYS 48 3HZ LYS 48 -2.981 -9.460 -8.787 265 HZ2 LYS 48 1HZ LYS 48 -1.704 -10.562 -8.884 266 HZ3 LYS 48 2HZ LYS 48 -1.543 -9.023 -9.561 267 H HIS 49 H HIS 49 4.333 -8.450 -7.357 268 HA HIS 49 HA HIS 49 6.863 -9.755 -6.764 269 HB2 HIS 49 1HB HIS 49 5.793 -9.258 -9.527 270 HB3 HIS 49 2HB HIS 49 7.516 -9.322 -9.217 271 HD1 HIS 49 HD1 HIS 49 8.531 -11.639 -8.619 272 HD2 HIS 49 HD2 HIS 49 4.464 -11.712 -9.469 273 HE1 HIS 49 HE1 HIS 49 7.944 -14.065 -8.899 274 HE2 HIS 49 HE2 HIS 49 5.450 -14.091 -9.256 275 H LEU 50 H LEU 50 6.568 -7.754 -5.390 276 HA LEU 50 HA LEU 50 6.556 -5.167 -6.281 277 HB2 LEU 50 1HB LEU 50 7.972 -6.415 -3.945 278 HB3 LEU 50 2HB LEU 50 7.909 -4.698 -4.208 279 HG LEU 50 HG LEU 50 6.253 -5.129 -2.635 280 HD11 LEU 50 1HD1 LEU 50 4.817 -5.045 -5.255 281 HD12 LEU 50 2HD1 LEU 50 5.553 -3.659 -4.449 282 HD13 LEU 50 3HD1 LEU 50 4.205 -4.504 -3.692 283 HD21 LEU 50 3HD2 LEU 50 5.142 -7.325 -4.330 284 HD22 LEU 50 1HD2 LEU 50 4.616 -6.835 -2.718 285 HD23 LEU 50 2HD2 LEU 50 6.206 -7.571 -2.944 286 H ASP 51 H ASP 51 8.082 -3.645 -6.714 287 HA ASP 51 HA ASP 51 10.465 -4.220 -8.058 288 HB2 ASP 51 1HB ASP 51 9.214 -2.010 -7.930 289 HB3 ASP 51 2HB ASP 51 9.945 -1.775 -6.354 290 H LYS 52 H LYS 52 12.651 -4.279 -7.326 291 HA LYS 52 HA LYS 52 13.041 -5.549 -4.860 292 HB2 LYS 52 1HB LYS 52 15.123 -4.055 -6.452 293 HB3 LYS 52 2HB LYS 52 15.422 -5.244 -5.193 294 HG2 LYS 52 1HG LYS 52 14.193 -5.719 -7.903 295 HG3 LYS 52 2HG LYS 52 15.765 -6.272 -7.328 296 HD2 LYS 52 1HD LYS 52 13.079 -7.139 -6.266 297 HD3 LYS 52 2HD LYS 52 14.129 -8.082 -7.320 298 HE2 LYS 52 1HE LYS 52 15.856 -8.077 -5.567 299 HE3 LYS 52 2HE LYS 52 14.762 -7.184 -4.512 300 HZ1 LYS 52 3HZ LYS 52 13.200 -9.055 -4.665 301 HZ2 LYS 52 1HZ LYS 52 14.683 -9.516 -3.992 302 HZ3 LYS 52 2HZ LYS 52 14.321 -9.912 -5.593 303 H GLY 53 H GLY 53 13.014 -2.175 -5.722 304 HA2 GLY 53 1HA GLY 53 14.246 -1.209 -3.340 305 HA3 GLY 53 2HA GLY 53 13.228 -0.280 -4.431 306 H THR 54 H THR 54 10.945 -1.977 -4.250 307 HA THR 54 HA THR 54 9.852 -0.960 -1.791 308 HB THR 54 HB THR 54 8.492 -2.731 -3.830 309 HG1 THR 54 1HG THR 54 9.288 -0.123 -3.966 310 HG21 THR 54 3HG2 THR 54 6.434 -1.681 -2.945 311 HG22 THR 54 1HG2 THR 54 7.407 -0.840 -1.735 312 HG23 THR 54 2HG2 THR 54 7.298 -2.603 -1.714 313 H THR 55 H THR 55 10.404 -4.144 -3.245 314 HA THR 55 HA THR 55 9.701 -5.789 -1.136 315 HB THR 55 HB THR 55 12.107 -6.053 -2.956 316 HG1 THR 55 1HG THR 55 9.848 -7.596 -3.385 317 HG21 THR 55 3HG2 THR 55 12.296 -7.516 -1.014 318 HG22 THR 55 1HG2 THR 55 11.976 -8.450 -2.476 319 HG23 THR 55 2HG2 THR 55 10.677 -8.150 -1.321 320 H ALA 56 H ALA 56 12.591 -3.839 -1.595 321 HA ALA 56 HA ALA 56 14.078 -4.670 0.604 322 HB1 ALA 56 3HB ALA 56 15.179 -2.483 0.470 323 HB2 ALA 56 1HB ALA 56 13.895 -1.912 -0.600 324 HB3 ALA 56 2HB ALA 56 14.969 -3.210 -1.123 325 H LEU 57 H LEU 57 11.745 -1.943 0.457 326 HA LEU 57 HA LEU 57 11.992 -1.163 3.144 327 HB2 LEU 57 1HB LEU 57 9.532 -1.003 1.412 328 HB3 LEU 57 2HB LEU 57 9.739 -0.181 2.939 329 HG LEU 57 HG LEU 57 10.426 1.575 1.786 330 HD11 LEU 57 1HD1 LEU 57 12.684 1.679 1.005 331 HD12 LEU 57 2HD1 LEU 57 12.752 -0.076 0.836 332 HD13 LEU 57 3HD1 LEU 57 12.644 0.649 2.441 333 HD21 LEU 57 3HD2 LEU 57 9.324 0.320 -0.154 334 HD22 LEU 57 1HD2 LEU 57 10.971 -0.025 -0.675 335 HD23 LEU 57 2HD2 LEU 57 10.425 1.649 -0.540 336 H LEU 58 H LEU 58 9.753 -3.361 1.578 337 HA LEU 58 HA LEU 58 8.225 -4.051 3.812 338 HB2 LEU 58 1HB LEU 58 8.965 -5.870 1.532 339 HB3 LEU 58 2HB LEU 58 7.546 -5.988 2.555 340 HG LEU 58 HG LEU 58 8.097 -3.726 0.617 341 HD11 LEU 58 1HD1 LEU 58 6.163 -6.033 0.463 342 HD12 LEU 58 2HD1 LEU 58 7.609 -5.817 -0.526 343 HD13 LEU 58 3HD1 LEU 58 6.261 -4.687 -0.674 344 HD21 LEU 58 3HD2 LEU 58 5.796 -3.061 1.092 345 HD22 LEU 58 1HD2 LEU 58 6.788 -3.014 2.549 346 HD23 LEU 58 2HD2 LEU 58 5.662 -4.346 2.292 347 H GLY 59 H GLY 59 11.137 -5.566 2.468 348 HA2 GLY 59 1HA GLY 59 11.472 -7.533 4.417 349 HA3 GLY 59 2HA GLY 59 12.771 -6.815 3.483 350 H LEU 60 H LEU 60 12.332 -4.107 4.504 351 HA LEU 60 HA LEU 60 13.968 -4.154 6.810 352 HB2 LEU 60 1HB LEU 60 12.121 -1.919 5.957 353 HB3 LEU 60 2HB LEU 60 13.527 -1.776 6.993 354 HG LEU 60 HG LEU 60 13.466 -2.278 4.026 355 HD11 LEU 60 1HD1 LEU 60 13.229 0.035 4.753 356 HD12 LEU 60 2HD1 LEU 60 14.769 -0.236 3.940 357 HD13 LEU 60 3HD1 LEU 60 14.712 -0.107 5.697 358 HD21 LEU 60 3HD2 LEU 60 15.837 -2.380 5.881 359 HD22 LEU 60 1HD2 LEU 60 15.887 -2.476 4.120 360 HD23 LEU 60 2HD2 LEU 60 15.111 -3.757 5.053 361 H LEU 61 H LEU 61 10.546 -3.735 6.316 362 HA LEU 61 HA LEU 61 9.983 -3.447 9.150 363 HB2 LEU 61 1HB LEU 61 8.093 -3.650 6.808 364 HB3 LEU 61 2HB LEU 61 7.686 -3.120 8.429 365 HG LEU 61 HG LEU 61 9.826 -1.599 7.062 366 HD11 LEU 61 1HD1 LEU 61 8.205 -0.276 5.803 367 HD12 LEU 61 2HD1 LEU 61 6.930 -1.407 6.262 368 HD13 LEU 61 3HD1 LEU 61 8.265 -1.946 5.241 369 HD21 LEU 61 3HD2 LEU 61 8.780 0.255 8.173 370 HD22 LEU 61 1HD2 LEU 61 8.968 -1.067 9.327 371 HD23 LEU 61 2HD2 LEU 61 7.387 -0.738 8.610 372 H ASN 62 H ASN 62 10.587 -5.967 7.172 373 HA ASN 62 HA ASN 62 10.458 -8.212 7.390 374 HB2 ASN 62 1HB ASN 62 9.346 -7.536 10.106 375 HB3 ASN 62 2HB ASN 62 9.712 -9.172 9.577 376 HD21 ASN 62 2HD2 ASN 62 11.878 -9.767 9.270 377 HD22 ASN 62 1HD2 ASN 62 13.171 -8.855 9.964 378 H ILE 63 H ILE 63 8.397 -6.754 6.114 379 HA ILE 63 HA ILE 63 5.917 -8.121 6.692 380 HB ILE 63 HB ILE 63 6.697 -6.360 4.356 381 HG12 ILE 63 1HG1 ILE 63 4.924 -5.617 6.667 382 HG13 ILE 63 2HG1 ILE 63 6.671 -5.415 6.753 383 HG21 ILE 63 1HG2 ILE 63 3.974 -7.306 5.249 384 HG22 ILE 63 2HG2 ILE 63 4.832 -7.833 3.801 385 HG23 ILE 63 3HG2 ILE 63 4.293 -6.159 3.946 386 HD11 ILE 63 3HD1 ILE 63 4.938 -4.222 4.617 387 HD12 ILE 63 1HD1 ILE 63 6.649 -3.914 4.913 388 HD13 ILE 63 2HD1 ILE 63 5.444 -3.378 6.085 389 H LYS 64 H LYS 64 4.979 -9.680 5.385 390 HA LYS 64 HA LYS 64 6.930 -11.199 3.828 391 HB2 LYS 64 1HB LYS 64 5.260 -13.091 4.078 392 HB3 LYS 64 2HB LYS 64 6.060 -12.568 5.551 393 HG2 LYS 64 1HG LYS 64 3.369 -11.493 4.820 394 HG3 LYS 64 2HG LYS 64 3.530 -13.071 5.586 395 HD2 LYS 64 1HD LYS 64 4.692 -12.037 7.468 396 HD3 LYS 64 2HD LYS 64 4.551 -10.458 6.702 397 HE2 LYS 64 1HE LYS 64 2.077 -10.736 6.746 398 HE3 LYS 64 2HE LYS 64 2.307 -12.218 7.668 399 HZ1 LYS 64 3HZ LYS 64 3.116 -9.485 8.506 400 HZ2 LYS 64 1HZ LYS 64 3.425 -10.900 9.383 401 HZ3 LYS 64 2HZ LYS 64 1.834 -10.390 9.135 402 H ILE 65 H ILE 65 6.831 -11.106 1.738 403 HA ILE 65 HA ILE 65 4.834 -9.599 0.406 404 HB ILE 65 HB ILE 65 7.235 -11.144 -0.549 405 HG12 ILE 65 1HG1 ILE 65 7.973 -8.877 -1.285 406 HG13 ILE 65 2HG1 ILE 65 6.506 -8.208 -0.589 407 HG21 ILE 65 1HG2 ILE 65 5.443 -11.337 -2.252 408 HG22 ILE 65 2HG2 ILE 65 6.844 -10.420 -2.807 409 HG23 ILE 65 3HG2 ILE 65 5.377 -9.573 -2.317 410 HD11 ILE 65 3HD1 ILE 65 7.251 -8.916 1.636 411 HD12 ILE 65 1HD1 ILE 65 8.424 -7.846 0.864 412 HD13 ILE 65 2HD1 ILE 65 8.720 -9.584 0.923 413 H GLY 66 H GLY 66 5.332 -12.992 0.966 414 HA2 GLY 66 1HA GLY 66 3.636 -13.943 -1.133 415 HA3 GLY 66 2HA GLY 66 4.217 -14.873 0.239 416 H ASP 67 H ASP 67 3.009 -12.559 1.919 417 HA ASP 67 HA ASP 67 0.394 -13.780 2.214 418 HB2 ASP 67 1HB ASP 67 1.576 -13.273 4.253 419 HB3 ASP 67 2HB ASP 67 1.821 -11.605 3.747 420 H LEU 68 H LEU 68 1.837 -10.960 0.896 421 HA LEU 68 HA LEU 68 -0.162 -9.071 1.062 422 HB2 LEU 68 1HB LEU 68 1.824 -9.497 -1.165 423 HB3 LEU 68 2HB LEU 68 0.885 -8.038 -0.906 424 HG LEU 68 HG LEU 68 2.960 -9.155 0.975 425 HD11 LEU 68 1HD1 LEU 68 4.239 -7.175 0.394 426 HD12 LEU 68 2HD1 LEU 68 2.980 -6.674 -0.735 427 HD13 LEU 68 3HD1 LEU 68 3.905 -8.144 -1.039 428 HD21 LEU 68 3HD2 LEU 68 1.294 -8.131 2.293 429 HD22 LEU 68 1HD2 LEU 68 1.119 -6.789 1.164 430 HD23 LEU 68 2HD2 LEU 68 2.591 -6.944 2.132 431 H LYS 69 H LYS 69 -1.859 -8.453 -0.148 432 HA LYS 69 HA LYS 69 -3.069 -10.665 -1.622 433 HB2 LYS 69 1HB LYS 69 -4.296 -8.243 -0.300 434 HB3 LYS 69 2HB LYS 69 -5.208 -9.400 -1.250 435 HG2 LYS 69 1HG LYS 69 -5.566 -10.089 0.928 436 HG3 LYS 69 2HG LYS 69 -4.292 -11.164 0.357 437 HD2 LYS 69 1HD LYS 69 -2.653 -9.520 1.395 438 HD3 LYS 69 2HD LYS 69 -4.050 -8.788 2.186 439 HE2 LYS 69 1HE LYS 69 -3.093 -11.635 2.471 440 HE3 LYS 69 2HE LYS 69 -2.988 -10.363 3.682 441 HZ1 LYS 69 3HZ LYS 69 -4.818 -11.832 4.149 442 HZ2 LYS 69 1HZ LYS 69 -5.488 -11.558 2.622 443 HZ3 LYS 69 2HZ LYS 69 -5.414 -10.302 3.751 444 H ASP 70 H ASP 70 -3.749 -7.190 -1.930 445 HA ASP 70 HA ASP 70 -3.947 -7.615 -4.809 446 HB2 ASP 70 1HB ASP 70 -5.032 -5.555 -2.929 447 HB3 ASP 70 2HB ASP 70 -4.960 -5.217 -4.652 448 H LEU 71 H LEU 71 -3.316 -4.446 -3.498 449 HA LEU 71 HA LEU 71 -0.683 -4.478 -4.829 450 HB2 LEU 71 1HB LEU 71 -2.644 -2.220 -4.466 451 HB3 LEU 71 2HB LEU 71 -0.977 -1.963 -4.922 452 HG LEU 71 HG LEU 71 -1.938 -1.871 -6.958 453 HD11 LEU 71 1HD1 LEU 71 -1.686 -3.954 -8.177 454 HD12 LEU 71 2HD1 LEU 71 -1.633 -4.845 -6.657 455 HD13 LEU 71 3HD1 LEU 71 -0.348 -3.701 -7.055 456 HD21 LEU 71 3HD2 LEU 71 -4.208 -2.222 -6.019 457 HD22 LEU 71 1HD2 LEU 71 -3.970 -3.961 -6.210 458 HD23 LEU 71 2HD2 LEU 71 -3.982 -2.912 -7.632 459 H VAL 72 H VAL 72 0.831 -2.866 -3.970 460 HA VAL 72 HA VAL 72 0.339 -2.138 -1.159 461 HB VAL 72 HB VAL 72 2.416 -2.663 -0.473 462 HG11 VAL 72 1HG1 VAL 72 3.521 -4.523 -1.705 463 HG12 VAL 72 2HG1 VAL 72 2.346 -4.282 -2.999 464 HG13 VAL 72 3HG1 VAL 72 1.802 -4.755 -1.391 465 HG21 VAL 72 3HG2 VAL 72 4.482 -2.450 -1.935 466 HG22 VAL 72 1HG2 VAL 72 3.628 -0.959 -1.513 467 HG23 VAL 72 2HG2 VAL 72 3.422 -1.678 -3.113 468 H GLY 73 H GLY 73 1.807 -0.041 -0.727 469 HA2 GLY 73 1HA GLY 73 1.706 1.645 -3.119 470 HA3 GLY 73 2HA GLY 73 0.795 2.148 -1.705 471 H LEU 74 H LEU 74 3.429 2.950 -3.293 472 HA LEU 74 HA LEU 74 5.095 3.177 -0.904 473 HB2 LEU 74 1HB LEU 74 6.994 3.575 -2.254 474 HB3 LEU 74 2HB LEU 74 6.156 2.202 -2.928 475 HG LEU 74 HG LEU 74 6.986 3.426 -4.745 476 HD11 LEU 74 1HD1 LEU 74 5.031 4.158 -5.972 477 HD12 LEU 74 2HD1 LEU 74 4.089 4.178 -4.480 478 HD13 LEU 74 3HD1 LEU 74 4.729 2.655 -5.104 479 HD21 LEU 74 3HD2 LEU 74 6.620 5.808 -5.117 480 HD22 LEU 74 1HD2 LEU 74 7.511 5.507 -3.625 481 HD23 LEU 74 2HD2 LEU 74 5.800 5.928 -3.558 482 H ASN 75 H ASN 75 5.644 5.041 -0.018 483 HA ASN 75 HA ASN 75 5.132 7.103 0.794 484 HB2 ASN 75 1HB ASN 75 5.584 7.792 -2.114 485 HB3 ASN 75 2HB ASN 75 5.512 8.962 -0.802 486 HD21 ASN 75 2HD2 ASN 75 7.124 8.885 0.826 487 HD22 ASN 75 1HD2 ASN 75 8.693 8.252 0.463 488 H CYS 76 H CYS 76 2.913 5.805 0.706 489 HA CYS 76 HA CYS 76 0.905 7.119 -0.919 490 HB2 CYS 76 2HB CYS 76 1.039 4.613 -0.422 491 HB3 CYS 76 1HB CYS 76 0.474 5.008 1.194 492 H SER 77 H SER 77 -0.846 8.230 -0.045 493 HA SER 77 HA SER 77 -0.261 9.470 2.557 494 HB2 SER 77 1HB SER 77 -1.892 10.603 0.273 495 HB3 SER 77 2HB SER 77 -1.378 11.451 1.730 496 HG SER 77 HG SER 77 0.051 12.004 0.149 497 HA PRO 78 HA PRO 78 -4.094 7.333 3.672 498 HB2 PRO 78 2HB PRO 78 -3.441 8.436 6.328 499 HB3 PRO 78 1HB PRO 78 -3.715 6.758 5.853 500 HG2 PRO 78 2HG PRO 78 -1.266 7.652 6.478 501 HG3 PRO 78 1HG PRO 78 -1.518 6.439 5.209 502 HD2 PRO 78 2HD PRO 78 -1.003 9.381 4.944 503 HD3 PRO 78 1HD PRO 78 -0.349 8.029 3.991 504 H LEU 79 H LEU 79 -5.926 8.293 3.244 505 HA LEU 79 HA LEU 79 -6.219 11.162 3.657 506 HB2 LEU 79 1HB LEU 79 -8.149 9.215 2.400 507 HB3 LEU 79 2HB LEU 79 -8.136 10.956 2.220 508 HG LEU 79 HG LEU 79 -6.012 9.083 1.169 509 HD11 LEU 79 1HD1 LEU 79 -6.911 9.651 -1.034 510 HD12 LEU 79 2HD1 LEU 79 -8.225 10.537 -0.259 511 HD13 LEU 79 3HD1 LEU 79 -8.077 8.792 -0.032 512 HD21 LEU 79 3HD2 LEU 79 -5.286 11.109 -0.093 513 HD22 LEU 79 1HD2 LEU 79 -5.035 11.197 1.653 514 HD23 LEU 79 2HD2 LEU 79 -6.386 12.057 0.908 515 H SER 80 H SER 80 -6.436 11.223 5.906 516 HA SER 80 HA SER 80 -8.326 9.526 7.248 517 HB2 SER 80 1HB SER 80 -6.850 11.920 8.361 518 HB3 SER 80 2HB SER 80 -7.545 10.572 9.267 519 HG SER 80 HG SER 80 -6.013 9.200 8.265 520 H VAL 81 H VAL 81 -8.066 12.987 6.517 521 HA VAL 81 HA VAL 81 -10.847 13.302 7.394 522 HB VAL 81 HB VAL 81 -10.356 15.764 7.389 523 HG11 VAL 81 1HG1 VAL 81 -10.341 14.505 9.452 524 HG12 VAL 81 2HG1 VAL 81 -9.041 15.698 9.479 525 HG13 VAL 81 3HG1 VAL 81 -8.675 14.002 9.166 526 HG21 VAL 81 3HG2 VAL 81 -8.019 16.486 7.415 527 HG22 VAL 81 1HG2 VAL 81 -8.439 15.759 5.866 528 HG23 VAL 81 2HG2 VAL 81 -7.501 14.842 7.043 529 H ILE 82 H ILE 82 -12.289 13.192 5.838 530 HA ILE 82 HA ILE 82 -11.664 14.428 3.245 531 HB ILE 82 HB ILE 82 -13.405 12.029 3.740 532 HG12 ILE 82 1HG1 ILE 82 -10.657 12.442 2.609 533 HG13 ILE 82 2HG1 ILE 82 -11.184 11.284 3.821 534 HG21 ILE 82 1HG2 ILE 82 -14.286 13.527 1.990 535 HG22 ILE 82 2HG2 ILE 82 -13.739 11.981 1.334 536 HG23 ILE 82 3HG2 ILE 82 -12.740 13.422 1.147 537 HD11 ILE 82 3HD1 ILE 82 -10.642 10.214 1.702 538 HD12 ILE 82 1HD1 ILE 82 -11.871 11.192 0.903 539 HD13 ILE 82 2HD1 ILE 82 -12.344 10.007 2.121 540 H GLY 83 H GLY 83 -12.924 16.071 2.704 541 HA2 GLY 83 1HA GLY 83 -15.725 16.078 2.944 542 HA3 GLY 83 2HA GLY 83 -15.048 17.010 4.269 543 H VAL 84 H VAL 84 -12.770 17.929 2.756 544 HA VAL 84 HA VAL 84 -13.960 20.161 1.398 545 HB VAL 84 HB VAL 84 -11.045 19.360 1.540 546 HG11 VAL 84 1HG1 VAL 84 -11.502 20.970 -0.223 547 HG12 VAL 84 2HG1 VAL 84 -10.605 21.729 1.091 548 HG13 VAL 84 3HG1 VAL 84 -12.337 22.014 0.926 549 HG21 VAL 84 3HG2 VAL 84 -12.606 21.206 3.341 550 HG22 VAL 84 1HG2 VAL 84 -10.869 20.916 3.413 551 HG23 VAL 84 2HG2 VAL 84 -11.996 19.610 3.773 552 H GLY 85 H GLY 85 -14.916 19.659 -0.507 553 HA2 GLY 85 1HA GLY 85 -14.955 19.255 -2.784 554 HA3 GLY 85 2HA GLY 85 -13.247 18.841 -2.706 555 H GLY 86 H GLY 86 -12.854 16.721 -1.428 556 HA2 GLY 86 1HA GLY 86 -14.000 14.556 -0.890 557 HA3 GLY 86 2HA GLY 86 -14.803 14.742 -2.444 558 H ASN 87 H ASN 87 -11.627 15.848 -2.557 559 HA ASN 87 HA ASN 87 -10.663 13.227 -3.491 560 HB2 ASN 87 1HB ASN 87 -10.981 14.919 -5.320 561 HB3 ASN 87 2HB ASN 87 -9.781 15.933 -4.531 562 HD21 ASN 87 2HD2 ASN 87 -9.825 14.665 -7.185 563 HD22 ASN 87 1HD2 ASN 87 -8.377 13.722 -7.277 564 H SER 88 H SER 88 -8.992 16.304 -2.933 565 HA SER 88 HA SER 88 -7.126 16.813 -1.735 566 HB2 SER 88 1HB SER 88 -8.473 15.051 0.326 567 HB3 SER 88 2HB SER 88 -7.249 16.281 0.649 568 HG SER 88 HG SER 88 -9.541 17.048 -0.760 569 H CYS 89 H CYS 89 -6.737 14.745 -3.521 570 HA CYS 89 HA CYS 89 -4.624 13.230 -2.210 571 HB2 CYS 89 2HB CYS 89 -6.075 11.485 -2.079 572 HB3 CYS 89 1HB CYS 89 -7.112 12.101 -3.349 573 H SER 90 H SER 90 -6.265 13.567 -5.362 574 HA SER 90 HA SER 90 -5.525 14.180 -7.410 575 HB2 SER 90 1HB SER 90 -4.592 16.128 -6.186 576 HB3 SER 90 2HB SER 90 -3.083 15.244 -5.974 577 HG SER 90 HG SER 90 -3.096 15.090 -8.363 578 H ALA 91 H ALA 91 -4.436 11.657 -5.888 579 HA ALA 91 HA ALA 91 -2.693 10.859 -8.110 580 HB1 ALA 91 3HB ALA 91 -2.170 10.190 -5.215 581 HB2 ALA 91 1HB ALA 91 -1.255 11.347 -6.183 582 HB3 ALA 91 2HB ALA 91 -1.231 9.634 -6.599 583 H GLN 92 H GLN 92 -2.323 8.172 -6.952 584 HA GLN 92 HA GLN 92 -4.818 7.162 -7.963 585 HB2 GLN 92 1HB GLN 92 -3.255 5.873 -8.937 586 HB3 GLN 92 2HB GLN 92 -2.057 6.231 -7.702 587 HG2 GLN 92 1HG GLN 92 -2.696 4.493 -6.388 588 HG3 GLN 92 2HG GLN 92 -4.290 4.363 -7.112 589 HE21 GLN 92 2HE2 GLN 92 -1.360 4.699 -8.966 590 HE22 GLN 92 1HE2 GLN 92 -1.383 3.108 -9.646 591 H THR 93 H THR 93 -6.430 6.620 -6.724 592 HA THR 93 HA THR 93 -5.982 6.682 -3.840 593 HB THR 93 HB THR 93 -8.732 6.806 -4.940 594 HG1 THR 93 1HG THR 93 -6.688 8.404 -5.832 595 HG21 THR 93 3HG2 THR 93 -8.958 8.540 -3.242 596 HG22 THR 93 1HG2 THR 93 -7.219 8.500 -2.942 597 HG23 THR 93 2HG2 THR 93 -8.219 7.100 -2.541 598 H VAL 94 H VAL 94 -6.011 4.850 -2.789 599 HA VAL 94 HA VAL 94 -7.650 2.628 -3.797 600 HB VAL 94 HB VAL 94 -5.818 1.075 -2.997 601 HG11 VAL 94 1HG1 VAL 94 -4.494 1.299 -5.046 602 HG12 VAL 94 2HG1 VAL 94 -5.211 2.882 -5.334 603 HG13 VAL 94 3HG1 VAL 94 -6.218 1.437 -5.360 604 HG21 VAL 94 3HG2 VAL 94 -4.178 3.605 -3.102 605 HG22 VAL 94 1HG2 VAL 94 -3.548 1.970 -2.891 606 HG23 VAL 94 2HG2 VAL 94 -4.575 2.689 -1.649 607 H CYS 95 H CYS 95 -7.809 0.869 -2.170 608 HA CYS 95 HA CYS 95 -8.048 1.939 0.559 609 HB2 CYS 95 2HB CYS 95 -10.223 1.373 -0.358 610 HB3 CYS 95 1HB CYS 95 -9.640 -0.208 -0.867 611 H CYS 96 H CYS 96 -6.357 1.241 1.701 612 HA CYS 96 HA CYS 96 -5.214 -1.403 1.116 613 HB2 CYS 96 2HB CYS 96 -3.938 0.869 2.650 614 HB3 CYS 96 1HB CYS 96 -3.148 -0.578 2.032 615 H THR 97 H THR 97 -4.744 -2.837 2.821 616 HA THR 97 HA THR 97 -6.754 -2.711 4.877 617 HB THR 97 HB THR 97 -6.237 -4.846 3.771 618 HG1 THR 97 1HG THR 97 -6.796 -4.558 6.198 619 HG21 THR 97 3HG2 THR 97 -3.589 -4.747 5.222 620 HG22 THR 97 1HG2 THR 97 -3.796 -4.463 3.493 621 HG23 THR 97 2HG2 THR 97 -4.181 -6.040 4.179 622 H ASN 98 H ASN 98 -3.348 -2.143 4.627 623 HA ASN 98 HA ASN 98 -3.312 -0.996 7.285 624 HB2 ASN 98 1HB ASN 98 -1.606 -3.360 6.514 625 HB3 ASN 98 2HB ASN 98 -1.078 -2.216 7.739 626 HD21 ASN 98 2HD2 ASN 98 -2.105 -2.166 9.715 627 HD22 ASN 98 1HD2 ASN 98 -3.181 -3.418 10.231 628 H THR 99 H THR 99 -1.269 0.189 7.664 629 HA THR 99 HA THR 99 0.189 0.854 5.220 630 HB THR 99 HB THR 99 -1.419 2.602 5.291 631 HG1 THR 99 1HG THR 99 0.705 3.355 4.924 632 HG21 THR 99 3HG2 THR 99 -2.233 2.320 7.564 633 HG22 THR 99 1HG2 THR 99 -1.809 4.006 7.273 634 HG23 THR 99 2HG2 THR 99 -0.725 2.972 8.204 635 H TYR 100 H TYR 100 2.310 1.092 5.520 636 HA TYR 100 HA TYR 100 3.295 1.160 8.303 637 HB2 TYR 100 2HB TYR 100 4.657 -0.175 5.946 638 HB3 TYR 100 1HB TYR 100 5.210 -0.174 7.614 639 HD1 TYR 100 2HD TYR 100 4.095 -1.554 9.297 640 HD2 TYR 100 1HD TYR 100 2.888 -1.654 5.221 641 HE1 TYR 100 2HE TYR 100 2.881 -3.651 9.713 642 HE2 TYR 100 1HE TYR 100 1.678 -3.754 5.627 643 HH TYR 100 HH TYR 100 1.020 -4.934 8.736 644 H GLN 101 H GLN 101 5.323 2.247 8.626 645 HA GLN 101 HA GLN 101 6.834 3.922 8.356 646 HB2 GLN 101 1HB GLN 101 6.485 2.914 5.562 647 HB3 GLN 101 2HB GLN 101 7.461 4.346 5.852 648 HG2 GLN 101 1HG GLN 101 7.954 1.806 7.344 649 HG3 GLN 101 2HG GLN 101 8.630 2.091 5.740 650 HE21 GLN 101 2HE2 GLN 101 10.165 3.643 5.446 651 HE22 GLN 101 1HE2 GLN 101 11.003 4.399 6.745 652 H HIS 102 H HIS 102 3.979 4.538 8.410 653 HA HIS 102 HA HIS 102 2.639 6.358 8.334 654 HB2 HIS 102 1HB HIS 102 5.247 7.727 7.695 655 HB3 HIS 102 2HB HIS 102 3.734 8.605 7.876 656 HD1 HIS 102 HD1 HIS 102 3.208 9.369 10.177 657 HD2 HIS 102 HD2 HIS 102 5.932 6.229 10.164 658 HE1 HIS 102 HE1 HIS 102 3.924 9.084 12.570 659 HE2 HIS 102 HE2 HIS 102 5.656 7.256 12.521 660 H GLY 103 H GLY 103 3.708 4.881 5.710 661 HA2 GLY 103 1HA GLY 103 1.793 5.154 4.004 662 HA3 GLY 103 2HA GLY 103 2.477 6.763 3.828 663 H LEU 104 H LEU 104 5.212 5.576 4.286 664 HA LEU 104 HA LEU 104 6.101 5.532 1.698 665 HB2 LEU 104 1HB LEU 104 7.400 3.933 3.891 666 HB3 LEU 104 2HB LEU 104 8.170 4.615 2.474 667 HG LEU 104 HG LEU 104 7.144 6.083 4.892 668 HD11 LEU 104 1HD1 LEU 104 9.428 6.854 5.058 669 HD12 LEU 104 2HD1 LEU 104 9.853 5.943 3.610 670 HD13 LEU 104 3HD1 LEU 104 9.355 5.092 5.072 671 HD21 LEU 104 3HD2 LEU 104 6.457 7.371 3.004 672 HD22 LEU 104 1HD2 LEU 104 8.061 7.230 2.281 673 HD23 LEU 104 2HD2 LEU 104 7.846 8.139 3.774 674 H VAL 105 H VAL 105 5.013 2.759 3.608 675 HA VAL 105 HA VAL 105 4.567 1.344 1.074 676 HB VAL 105 HB VAL 105 5.184 -0.806 2.454 677 HG11 VAL 105 1HG1 VAL 105 6.228 -0.043 0.357 678 HG12 VAL 105 2HG1 VAL 105 7.387 -0.778 1.467 679 HG13 VAL 105 3HG1 VAL 105 7.321 0.975 1.297 680 HG21 VAL 105 3HG2 VAL 105 7.001 -0.518 3.990 681 HG22 VAL 105 1HG2 VAL 105 5.660 0.493 4.522 682 HG23 VAL 105 2HG2 VAL 105 7.036 1.220 3.695 683 H ASN 106 H ASN 106 2.521 0.933 0.968 684 HA ASN 106 HA ASN 106 1.015 0.253 3.410 685 HB2 ASN 106 1HB ASN 106 0.110 1.444 0.789 686 HB3 ASN 106 2HB ASN 106 -1.008 0.781 1.971 687 HD21 ASN 106 2HD2 ASN 106 -1.964 2.847 2.095 688 HD22 ASN 106 1HD2 ASN 106 -1.239 4.099 3.042 689 H VAL 107 H VAL 107 -0.767 -1.372 3.035 690 HA VAL 107 HA VAL 107 0.039 -3.362 1.019 691 HB VAL 107 HB VAL 107 -0.434 -5.157 2.712 692 HG11 VAL 107 1HG1 VAL 107 1.846 -4.617 2.045 693 HG12 VAL 107 2HG1 VAL 107 1.790 -5.009 3.763 694 HG13 VAL 107 3HG1 VAL 107 1.908 -3.328 3.246 695 HG21 VAL 107 3HG2 VAL 107 -1.638 -3.803 4.334 696 HG22 VAL 107 1HG2 VAL 107 -0.176 -2.875 4.662 697 HG23 VAL 107 2HG2 VAL 107 -0.244 -4.588 5.076 698 H GLY 108 H GLY 108 -1.523 -4.863 0.402 699 HA2 GLY 108 1HA GLY 108 -3.625 -5.588 -0.149 700 HA3 GLY 108 2HA GLY 108 -4.104 -5.089 1.469 701 H CYS 109 H CYS 109 -3.043 -3.387 -1.466 702 HA CYS 109 HA CYS 109 -5.074 -1.363 -0.901 703 HB2 CYS 109 2HB CYS 109 -2.722 -1.347 -2.795 704 HB3 CYS 109 1HB CYS 109 -3.820 -0.005 -2.564 705 H THR 110 H THR 110 -6.906 -1.324 -1.963 706 HA THR 110 HA THR 110 -7.014 -2.476 -4.677 707 HB THR 110 HB THR 110 -9.446 -2.855 -4.232 708 HG1 THR 110 1HG THR 110 -8.913 -2.596 -1.475 709 HG21 THR 110 3HG2 THR 110 -7.841 -4.689 -3.999 710 HG22 THR 110 1HG2 THR 110 -9.152 -4.834 -2.828 711 HG23 THR 110 2HG2 THR 110 -7.573 -4.241 -2.315 712 HA PRO 111 HA PRO 111 -7.877 1.738 -6.050 713 HB2 PRO 111 2HB PRO 111 -9.266 0.134 -8.153 714 HB3 PRO 111 1HB PRO 111 -8.162 1.504 -8.327 715 HG2 PRO 111 2HG PRO 111 -7.298 -0.967 -8.788 716 HG3 PRO 111 1HG PRO 111 -6.273 0.207 -7.945 717 HD2 PRO 111 2HD PRO 111 -7.792 -2.112 -6.854 718 HD3 PRO 111 1HD PRO 111 -6.231 -1.440 -6.344 719 H ILE 112 H ILE 112 -9.378 2.779 -4.924 720 HA ILE 112 HA ILE 112 -11.874 1.409 -4.318 721 HB ILE 112 HB ILE 112 -10.562 2.249 -2.437 722 HG12 ILE 112 1HG1 ILE 112 -13.147 3.774 -2.815 723 HG13 ILE 112 2HG1 ILE 112 -13.002 2.130 -2.211 724 HG21 ILE 112 1HG2 ILE 112 -9.489 4.142 -3.510 725 HG22 ILE 112 2HG2 ILE 112 -10.317 4.648 -2.038 726 HG23 ILE 112 3HG2 ILE 112 -11.037 4.980 -3.612 727 HD11 ILE 112 3HD1 ILE 112 -11.792 2.947 -0.263 728 HD12 ILE 112 1HD1 ILE 112 -13.374 3.711 -0.410 729 HD13 ILE 112 2HD1 ILE 112 -11.921 4.595 -0.874 730 H ASN 113 H ASN 113 -13.880 2.230 -4.667 731 HA ASN 113 HA ASN 113 -14.063 4.471 -6.560 732 HB2 ASN 113 1HB ASN 113 -14.938 2.371 -7.417 733 HB3 ASN 113 2HB ASN 113 -15.953 2.183 -5.994 734 HD21 ASN 113 2HD2 ASN 113 -17.821 2.065 -7.180 735 HD22 ASN 113 1HD2 ASN 113 -18.510 3.430 -7.990 736 H ILE 114 H ILE 114 -14.295 6.255 -5.326 737 HA ILE 114 HA ILE 114 -16.212 6.227 -3.133 738 HB ILE 114 HB ILE 114 -15.341 8.724 -2.969 739 HG12 ILE 114 1HG1 ILE 114 -12.858 8.715 -3.443 740 HG13 ILE 114 2HG1 ILE 114 -13.116 7.261 -4.399 741 HG21 ILE 114 1HG2 ILE 114 -13.853 6.291 -2.012 742 HG22 ILE 114 2HG2 ILE 114 -15.183 7.116 -1.198 743 HG23 ILE 114 3HG2 ILE 114 -13.627 7.925 -1.386 744 HD11 ILE 114 3HD1 ILE 114 -14.206 10.006 -4.913 745 HD12 ILE 114 1HD1 ILE 114 -14.713 8.563 -5.789 746 HD13 ILE 114 2HD1 ILE 114 -13.034 9.105 -5.878 747 H GLY 115 H GLY 115 -15.956 7.233 -6.388 748 HA2 GLY 115 1HA GLY 115 -17.713 7.849 -7.769 749 HA3 GLY 115 2HA GLY 115 -18.739 7.987 -6.355 750 H LEU 116 H LEU 116 -16.250 9.768 -5.459 751 HA LEU 116 HA LEU 116 -17.572 12.235 -6.153 752 HB2 LEU 116 1HB LEU 116 -14.999 11.829 -4.616 753 HB3 LEU 116 2HB LEU 116 -15.971 13.286 -4.658 754 HG LEU 116 HG LEU 116 -17.136 10.738 -3.582 755 HD11 LEU 116 1HD1 LEU 116 -16.382 11.382 -1.349 756 HD12 LEU 116 2HD1 LEU 116 -15.447 12.706 -2.044 757 HD13 LEU 116 3HD1 LEU 116 -15.020 11.036 -2.413 758 HD21 LEU 116 3HD2 LEU 116 -18.334 12.432 -2.139 759 HD22 LEU 116 1HD2 LEU 116 -18.739 12.471 -3.852 760 HD23 LEU 116 2HD2 LEU 116 -17.647 13.679 -3.177 Start of MODEL 3 1 H1 LYS 10 1H LYS 10 -61.789 -5.453 -23.741 2 H2 LYS 10 2H LYS 10 -61.567 -7.022 -24.318 3 H3 LYS 10 3H LYS 10 -63.122 -6.465 -23.969 4 HA LYS 10 HA LYS 10 -62.707 -6.514 -26.337 5 HB2 LYS 10 1HB LYS 10 -64.280 -4.875 -25.451 6 HB3 LYS 10 2HB LYS 10 -62.966 -3.748 -25.142 7 HG2 LYS 10 1HG LYS 10 -62.546 -3.528 -27.509 8 HG3 LYS 10 2HG LYS 10 -63.765 -4.748 -27.867 9 HD2 LYS 10 1HD LYS 10 -64.340 -2.138 -26.472 10 HD3 LYS 10 2HD LYS 10 -64.529 -2.397 -28.206 11 HE2 LYS 10 1HE LYS 10 -66.140 -4.201 -27.734 12 HE3 LYS 10 2HE LYS 10 -65.979 -3.873 -26.010 13 HZ1 LYS 10 3HZ LYS 10 -66.972 -1.950 -28.043 14 HZ2 LYS 10 1HZ LYS 10 -66.841 -1.653 -26.384 15 HZ3 LYS 10 2HZ LYS 10 -67.935 -2.807 -26.955 16 H ALA 11 H ALA 11 -60.761 -3.900 -24.868 17 HA ALA 11 HA ALA 11 -58.620 -4.558 -26.755 18 HB1 ALA 11 3HB ALA 11 -59.646 -1.760 -26.284 19 HB2 ALA 11 1HB ALA 11 -59.881 -2.710 -27.753 20 HB3 ALA 11 2HB ALA 11 -58.260 -2.204 -27.278 21 H MET 12 H MET 12 -56.632 -4.470 -25.883 22 HA MET 12 HA MET 12 -56.472 -3.724 -23.058 23 HB2 MET 12 1HB MET 12 -54.695 -5.414 -24.815 24 HB3 MET 12 2HB MET 12 -54.251 -4.937 -23.183 25 HG2 MET 12 1HG MET 12 -56.166 -6.110 -22.286 26 HG3 MET 12 2HG MET 12 -56.696 -6.528 -23.914 27 HE1 MET 12 3HE MET 12 -52.931 -6.490 -22.723 28 HE2 MET 12 1HE MET 12 -52.774 -8.114 -22.056 29 HE3 MET 12 2HE MET 12 -53.821 -6.935 -21.267 30 H ALA 13 H ALA 13 -55.536 -1.906 -22.463 31 HA ALA 13 HA ALA 13 -53.729 -0.547 -24.333 32 HB1 ALA 13 3HB ALA 13 -55.064 0.521 -21.844 33 HB2 ALA 13 1HB ALA 13 -55.630 0.766 -23.497 34 HB3 ALA 13 2HB ALA 13 -54.087 1.448 -22.983 35 H ASP 14 H ASP 14 -51.992 -1.980 -23.913 36 HA ASP 14 HA ASP 14 -51.019 -2.344 -21.231 37 HB2 ASP 14 1HB ASP 14 -49.227 -3.646 -22.272 38 HB3 ASP 14 2HB ASP 14 -50.794 -4.134 -22.900 39 H ILE 15 H ILE 15 -49.394 -1.317 -20.231 40 HA ILE 15 HA ILE 15 -47.902 0.723 -21.727 41 HB ILE 15 HB ILE 15 -48.136 2.356 -19.941 42 HG12 ILE 15 1HG1 ILE 15 -48.535 0.640 -18.106 43 HG13 ILE 15 2HG1 ILE 15 -49.511 2.098 -18.022 44 HG21 ILE 15 1HG2 ILE 15 -50.799 1.366 -20.938 45 HG22 ILE 15 2HG2 ILE 15 -49.702 2.464 -21.777 46 HG23 ILE 15 3HG2 ILE 15 -50.481 2.971 -20.278 47 HD11 ILE 15 3HD1 ILE 15 -50.419 -0.584 -19.042 48 HD12 ILE 15 1HD1 ILE 15 -51.402 0.876 -18.974 49 HD13 ILE 15 2HD1 ILE 15 -50.821 0.135 -17.484 50 H GLY 16 H GLY 16 -47.358 -1.985 -20.532 51 HA2 GLY 16 1HA GLY 16 -45.616 -1.461 -18.283 52 HA3 GLY 16 2HA GLY 16 -45.906 -3.019 -19.043 53 H SER 17 H SER 17 -44.646 0.088 -20.223 54 HA SER 17 HA SER 17 -42.534 -1.305 -21.632 55 HB2 SER 17 1HB SER 17 -43.166 1.652 -21.462 56 HB3 SER 17 2HB SER 17 -41.993 0.913 -22.551 57 HG SER 17 HG SER 17 -44.509 1.301 -23.043 58 H THR 18 H THR 18 -41.826 -2.047 -19.415 59 HA THR 18 HA THR 18 -40.454 -0.170 -17.745 60 HB THR 18 HB THR 18 -39.607 -2.374 -16.681 61 HG1 THR 18 1HG THR 18 -40.029 -3.950 -18.096 62 HG21 THR 18 3HG2 THR 18 -41.369 -1.008 -15.698 63 HG22 THR 18 1HG2 THR 18 -41.769 -2.718 -15.551 64 HG23 THR 18 2HG2 THR 18 -42.557 -1.732 -16.781 65 H ALA 19 H ALA 19 -39.241 0.548 -19.799 66 HA ALA 19 HA ALA 19 -37.034 -1.111 -20.624 67 HB1 ALA 19 3HB ALA 19 -36.393 0.813 -21.999 68 HB2 ALA 19 1HB ALA 19 -37.638 1.783 -21.216 69 HB3 ALA 19 2HB ALA 19 -38.095 0.401 -22.210 70 H VAL 20 H VAL 20 -36.848 -0.936 -17.965 71 HA VAL 20 HA VAL 20 -34.384 0.544 -17.592 72 HB VAL 20 HB VAL 20 -36.037 2.170 -16.895 73 HG11 VAL 20 1HG1 VAL 20 -37.908 0.721 -16.406 74 HG12 VAL 20 2HG1 VAL 20 -37.567 1.756 -15.019 75 HG13 VAL 20 3HG1 VAL 20 -37.067 0.066 -15.000 76 HG21 VAL 20 3HG2 VAL 20 -35.296 2.576 -14.595 77 HG22 VAL 20 1HG2 VAL 20 -33.958 2.113 -15.647 78 HG23 VAL 20 2HG2 VAL 20 -34.644 0.940 -14.522 79 HA PRO 21 HA PRO 21 -34.395 -3.760 -15.727 80 HB2 PRO 21 2HB PRO 21 -31.695 -3.617 -16.955 81 HB3 PRO 21 1HB PRO 21 -32.876 -4.932 -16.989 82 HG2 PRO 21 2HG PRO 21 -32.442 -3.447 -19.154 83 HG3 PRO 21 1HG PRO 21 -34.080 -3.983 -18.732 84 HD2 PRO 21 2HD PRO 21 -32.801 -1.301 -18.340 85 HD3 PRO 21 1HD PRO 21 -34.448 -1.695 -18.874 86 H ARG 22 H ARG 22 -31.771 -1.397 -16.051 87 HA ARG 22 HA ARG 22 -31.618 -1.201 -13.163 88 HB2 ARG 22 1HB ARG 22 -29.124 -1.390 -13.209 89 HB3 ARG 22 2HB ARG 22 -29.970 -2.896 -13.530 90 HG2 ARG 22 1HG ARG 22 -29.565 -2.590 -15.936 91 HG3 ARG 22 2HG ARG 22 -28.674 -1.109 -15.581 92 HD2 ARG 22 1HD ARG 22 -27.975 -3.889 -14.644 93 HD3 ARG 22 2HD ARG 22 -27.144 -2.973 -15.899 94 HE ARG 22 HE ARG 22 -26.768 -1.311 -13.953 95 HH11 ARG 22 1HH1 ARG 22 -26.744 -4.804 -13.707 96 HH12 ARG 22 2HH1 ARG 22 -25.648 -4.825 -12.362 97 HH21 ARG 22 1HH2 ARG 22 -25.346 -1.337 -12.169 98 HH22 ARG 22 2HH2 ARG 22 -24.871 -2.856 -11.471 99 H ASP 23 H ASP 23 -31.571 0.860 -12.634 100 HA ASP 23 HA ASP 23 -30.676 2.804 -14.657 101 HB2 ASP 23 1HB ASP 23 -33.053 2.973 -13.889 102 HB3 ASP 23 2HB ASP 23 -32.462 3.299 -12.263 103 H VAL 24 H VAL 24 -30.533 1.976 -11.241 104 HA VAL 24 HA VAL 24 -28.260 3.812 -10.925 105 HB VAL 24 HB VAL 24 -28.661 3.659 -8.493 106 HG11 VAL 24 1HG1 VAL 24 -30.728 4.983 -8.443 107 HG12 VAL 24 2HG1 VAL 24 -31.066 4.498 -10.106 108 HG13 VAL 24 3HG1 VAL 24 -29.651 5.486 -9.745 109 HG21 VAL 24 3HG2 VAL 24 -30.732 2.657 -7.653 110 HG22 VAL 24 1HG2 VAL 24 -29.693 1.451 -8.412 111 HG23 VAL 24 2HG2 VAL 24 -31.103 2.068 -9.273 112 H ASN 25 H ASN 25 -26.443 3.084 -9.685 113 HA ASN 25 HA ASN 25 -26.090 0.163 -9.799 114 HB2 ASN 25 1HB ASN 25 -24.051 2.373 -10.132 115 HB3 ASN 25 2HB ASN 25 -23.634 0.668 -9.983 116 HD21 ASN 25 2HD2 ASN 25 -23.190 2.536 -12.192 117 HD22 ASN 25 1HD2 ASN 25 -23.949 1.822 -13.572 118 H GLY 26 H GLY 26 -25.994 -0.793 -7.898 119 HA2 GLY 26 1HA GLY 26 -24.837 0.666 -5.627 120 HA3 GLY 26 2HA GLY 26 -26.453 -0.006 -5.475 121 H GLY 27 H GLY 27 -25.440 -1.135 -3.650 122 HA2 GLY 27 1HA GLY 27 -25.077 -3.810 -4.021 123 HA3 GLY 27 2HA GLY 27 -23.455 -3.145 -4.163 124 H THR 28 H THR 28 -22.806 -1.655 -2.356 125 HA THR 28 HA THR 28 -24.209 -2.003 0.153 126 HB THR 28 HB THR 28 -21.342 -2.901 -0.132 127 HG1 THR 28 1HG THR 28 -23.628 -4.221 -0.511 128 HG21 THR 28 3HG2 THR 28 -23.157 -2.670 2.254 129 HG22 THR 28 1HG2 THR 28 -21.564 -1.953 2.023 130 HG23 THR 28 2HG2 THR 28 -21.723 -3.695 2.249 131 HA PRO 29 HA PRO 29 -23.311 2.307 -0.140 132 HB2 PRO 29 2HB PRO 29 -23.589 2.619 2.701 133 HB3 PRO 29 1HB PRO 29 -24.714 3.075 1.425 134 HG2 PRO 29 2HG PRO 29 -24.749 0.739 3.176 135 HG3 PRO 29 1HG PRO 29 -26.041 1.404 2.168 136 HD2 PRO 29 2HD PRO 29 -24.725 -0.956 1.651 137 HD3 PRO 29 1HD PRO 29 -25.535 0.030 0.416 138 HA PRO 30 HA PRO 30 -19.552 2.449 3.160 139 HB2 PRO 30 2HB PRO 30 -19.155 -0.496 3.136 140 HB3 PRO 30 1HB PRO 30 -18.836 0.668 4.422 141 HG2 PRO 30 2HG PRO 30 -20.971 -0.955 4.463 142 HG3 PRO 30 1HG PRO 30 -21.010 0.681 5.129 143 HD2 PRO 30 2HD PRO 30 -22.256 -0.375 2.680 144 HD3 PRO 30 1HD PRO 30 -22.705 1.024 3.663 145 H LYS 31 H LYS 31 -18.264 3.264 1.619 146 HA LYS 31 HA LYS 31 -17.310 1.507 -0.524 147 HB2 LYS 31 1HB LYS 31 -17.283 4.497 -0.247 148 HB3 LYS 31 2HB LYS 31 -16.537 3.634 -1.583 149 HG2 LYS 31 1HG LYS 31 -18.665 2.776 -2.284 150 HG3 LYS 31 2HG LYS 31 -19.454 3.473 -0.868 151 HD2 LYS 31 1HD LYS 31 -18.948 5.708 -1.651 152 HD3 LYS 31 2HD LYS 31 -18.056 5.052 -3.025 153 HE2 LYS 31 1HE LYS 31 -20.077 4.060 -3.909 154 HE3 LYS 31 2HE LYS 31 -20.990 4.592 -2.497 155 HZ1 LYS 31 3HZ LYS 31 -21.260 6.015 -4.493 156 HZ2 LYS 31 1HZ LYS 31 -19.628 6.442 -4.375 157 HZ3 LYS 31 2HZ LYS 31 -20.704 6.849 -3.133 158 H SER 32 H SER 32 -16.278 3.516 2.134 159 HA SER 32 HA SER 32 -13.471 3.132 1.650 160 HB2 SER 32 1HB SER 32 -14.428 5.134 2.827 161 HB3 SER 32 2HB SER 32 -14.854 4.085 4.174 162 HG SER 32 HG SER 32 -12.826 5.220 4.407 163 H CYS 33 H CYS 33 -12.254 2.333 3.798 164 HA CYS 33 HA CYS 33 -13.233 -0.408 4.188 165 HB2 CYS 33 2HB CYS 33 -10.457 0.752 4.521 166 HB3 CYS 33 1HB CYS 33 -10.887 -0.930 4.807 167 H SER 34 H SER 34 -13.287 -1.338 6.238 168 HA SER 34 HA SER 34 -13.715 0.578 8.375 169 HB2 SER 34 1HB SER 34 -14.431 -1.650 9.558 170 HB3 SER 34 2HB SER 34 -15.466 -0.943 8.318 171 HG SER 34 HG SER 34 -14.200 -3.336 8.334 172 H SER 35 H SER 35 -11.232 -1.394 7.252 173 HA SER 35 HA SER 35 -9.947 -1.640 9.862 174 HB2 SER 35 1HB SER 35 -9.867 -3.556 8.288 175 HB3 SER 35 2HB SER 35 -9.005 -2.553 7.124 176 HG SER 35 HG SER 35 -7.498 -2.265 9.066 177 H GLY 36 H GLY 36 -10.405 0.818 7.947 178 HA2 GLY 36 1HA GLY 36 -8.690 2.641 8.787 179 HA3 GLY 36 2HA GLY 36 -7.664 1.766 7.657 180 HA PRO 37 HA PRO 37 -10.732 4.805 5.527 181 HB2 PRO 37 2HB PRO 37 -8.663 6.891 5.639 182 HB3 PRO 37 1HB PRO 37 -10.378 6.990 6.043 183 HG2 PRO 37 2HG PRO 37 -8.501 7.080 7.950 184 HG3 PRO 37 1HG PRO 37 -10.045 6.249 8.213 185 HD2 PRO 37 2HD PRO 37 -7.380 5.093 7.477 186 HD3 PRO 37 1HD PRO 37 -8.529 4.544 8.720 187 H VAL 38 H VAL 38 -9.538 6.591 3.678 188 HA VAL 38 HA VAL 38 -8.523 4.584 1.835 189 HB VAL 38 HB VAL 38 -9.389 7.450 1.375 190 HG11 VAL 38 1HG1 VAL 38 -7.726 6.754 -0.289 191 HG12 VAL 38 2HG1 VAL 38 -9.327 6.935 -1.005 192 HG13 VAL 38 3HG1 VAL 38 -8.696 5.327 -0.653 193 HG21 VAL 38 3HG2 VAL 38 -11.187 5.926 2.023 194 HG22 VAL 38 1HG2 VAL 38 -10.726 4.836 0.718 195 HG23 VAL 38 2HG2 VAL 38 -11.350 6.444 0.344 196 H TYR 39 H TYR 39 -6.631 4.996 0.515 197 HA TYR 39 HA TYR 39 -4.752 6.929 1.688 198 HB2 TYR 39 2HB TYR 39 -3.981 4.156 0.759 199 HB3 TYR 39 1HB TYR 39 -2.939 5.345 1.525 200 HD1 TYR 39 2HD TYR 39 -5.631 2.895 2.097 201 HD2 TYR 39 1HD TYR 39 -2.952 5.657 3.913 202 HE1 TYR 39 2HE TYR 39 -6.142 1.935 4.306 203 HE2 TYR 39 1HE TYR 39 -3.460 4.711 6.122 204 HH TYR 39 HH TYR 39 -5.098 3.446 7.249 205 H CYS 40 H CYS 40 -3.591 8.077 0.222 206 HA CYS 40 HA CYS 40 -4.185 7.508 -2.594 207 HB2 CYS 40 2HB CYS 40 -4.802 9.746 -1.702 208 HB3 CYS 40 1HB CYS 40 -3.099 10.048 -1.372 209 H CYS 41 H CYS 41 -2.657 6.468 -3.670 210 HA CYS 41 HA CYS 41 0.160 6.954 -2.933 211 HB2 CYS 41 2HB CYS 41 -0.990 4.492 -4.270 212 HB3 CYS 41 1HB CYS 41 0.647 4.702 -3.656 213 H ASN 42 H ASN 42 1.302 7.945 -4.401 214 HA ASN 42 HA ASN 42 0.399 8.952 -6.808 215 HB2 ASN 42 1HB ASN 42 2.417 9.778 -5.764 216 HB3 ASN 42 2HB ASN 42 3.210 8.221 -5.978 217 HD21 ASN 42 2HD2 ASN 42 2.135 11.138 -7.533 218 HD22 ASN 42 1HD2 ASN 42 3.027 10.931 -8.997 219 H LYS 43 H LYS 43 1.851 5.899 -6.094 220 HA LYS 43 HA LYS 43 0.768 4.717 -8.480 221 HB2 LYS 43 1HB LYS 43 3.736 4.870 -7.959 222 HB3 LYS 43 2HB LYS 43 3.041 3.559 -8.895 223 HG2 LYS 43 1HG LYS 43 2.804 6.482 -9.578 224 HG3 LYS 43 2HG LYS 43 3.967 5.362 -10.287 225 HD2 LYS 43 1HD LYS 43 0.965 5.112 -10.448 226 HD3 LYS 43 2HD LYS 43 2.012 5.701 -11.737 227 HE2 LYS 43 1HE LYS 43 2.074 2.941 -10.519 228 HE3 LYS 43 2HE LYS 43 1.393 3.366 -12.084 229 HZ1 LYS 43 3HZ LYS 43 3.610 2.431 -12.300 230 HZ2 LYS 43 1HZ LYS 43 4.245 3.648 -11.317 231 HZ3 LYS 43 2HZ LYS 43 3.587 4.037 -12.825 232 H THR 44 H THR 44 -0.166 2.843 -7.745 233 HA THR 44 HA THR 44 0.939 1.584 -5.393 234 HB THR 44 HB THR 44 -0.730 -0.244 -5.946 235 HG1 THR 44 1HG THR 44 -2.334 1.295 -7.451 236 HG21 THR 44 3HG2 THR 44 -1.091 1.526 -4.281 237 HG22 THR 44 1HG2 THR 44 -2.587 1.045 -5.074 238 HG23 THR 44 2HG2 THR 44 -1.795 2.555 -5.530 239 H GLU 45 H GLU 45 1.638 -0.609 -5.366 240 HA GLU 45 HA GLU 45 3.040 -1.382 -7.841 241 HB2 GLU 45 1HB GLU 45 4.541 -0.465 -6.071 242 HB3 GLU 45 2HB GLU 45 4.016 -1.749 -4.997 243 HG2 GLU 45 1HG GLU 45 6.158 -2.276 -5.978 244 HG3 GLU 45 2HG GLU 45 4.928 -3.410 -6.528 245 H ASP 46 H ASP 46 2.978 -3.501 -8.400 246 HA ASP 46 HA ASP 46 0.788 -5.029 -7.453 247 HB2 ASP 46 1HB ASP 46 1.511 -5.254 -9.748 248 HB3 ASP 46 2HB ASP 46 3.107 -5.794 -9.233 249 H SER 47 H SER 47 0.714 -6.017 -5.558 250 HA SER 47 HA SER 47 3.048 -6.425 -3.995 251 HB2 SER 47 1HB SER 47 1.592 -7.209 -2.284 252 HB3 SER 47 2HB SER 47 0.747 -5.906 -3.109 253 HG SER 47 HG SER 47 -0.503 -7.422 -4.181 254 H LYS 48 H LYS 48 1.906 -8.257 -6.498 255 HA LYS 48 HA LYS 48 2.736 -10.796 -5.369 256 HB2 LYS 48 1HB LYS 48 1.846 -10.130 -8.178 257 HB3 LYS 48 2HB LYS 48 2.103 -11.745 -7.532 258 HG2 LYS 48 1HG LYS 48 0.055 -9.772 -6.558 259 HG3 LYS 48 2HG LYS 48 -0.256 -11.140 -7.627 260 HD2 LYS 48 1HD LYS 48 0.542 -12.659 -5.846 261 HD3 LYS 48 2HD LYS 48 0.755 -11.268 -4.785 262 HE2 LYS 48 1HE LYS 48 -1.344 -12.375 -4.298 263 HE3 LYS 48 2HE LYS 48 -1.646 -10.778 -4.978 264 HZ1 LYS 48 3HZ LYS 48 -3.107 -12.446 -5.938 265 HZ2 LYS 48 1HZ LYS 48 -1.776 -13.339 -6.477 266 HZ3 LYS 48 2HZ LYS 48 -2.081 -11.807 -7.118 267 H HIS 49 H HIS 49 3.925 -8.232 -7.369 268 HA HIS 49 HA HIS 49 6.548 -9.517 -7.467 269 HB2 HIS 49 1HB HIS 49 5.040 -8.383 -9.820 270 HB3 HIS 49 2HB HIS 49 6.774 -8.636 -9.830 271 HD1 HIS 49 HD1 HIS 49 7.607 -10.988 -10.288 272 HD2 HIS 49 HD2 HIS 49 3.490 -10.787 -9.764 273 HE1 HIS 49 HE1 HIS 49 6.725 -13.234 -10.989 274 HE2 HIS 49 HE2 HIS 49 4.223 -13.059 -10.755 275 H LEU 50 H LEU 50 6.378 -7.739 -5.631 276 HA LEU 50 HA LEU 50 6.465 -5.037 -6.266 277 HB2 LEU 50 1HB LEU 50 7.819 -6.565 -4.061 278 HB3 LEU 50 2HB LEU 50 7.815 -4.831 -4.169 279 HG LEU 50 HG LEU 50 6.159 -5.296 -2.630 280 HD11 LEU 50 1HD1 LEU 50 5.430 -3.726 -4.333 281 HD12 LEU 50 2HD1 LEU 50 4.088 -4.628 -3.637 282 HD13 LEU 50 3HD1 LEU 50 4.701 -5.057 -5.231 283 HD21 LEU 50 3HD2 LEU 50 5.041 -7.415 -4.418 284 HD22 LEU 50 1HD2 LEU 50 4.466 -6.961 -2.812 285 HD23 LEU 50 2HD2 LEU 50 6.059 -7.704 -3.004 286 H ASP 51 H ASP 51 8.101 -3.627 -6.647 287 HA ASP 51 HA ASP 51 10.466 -4.375 -7.975 288 HB2 ASP 51 1HB ASP 51 9.320 -2.101 -7.932 289 HB3 ASP 51 2HB ASP 51 10.037 -1.863 -6.351 290 H LYS 52 H LYS 52 12.578 -4.600 -7.178 291 HA LYS 52 HA LYS 52 12.812 -5.710 -4.603 292 HB2 LYS 52 1HB LYS 52 14.979 -4.693 -6.439 293 HB3 LYS 52 2HB LYS 52 15.245 -5.660 -4.995 294 HG2 LYS 52 1HG LYS 52 13.686 -6.532 -7.419 295 HG3 LYS 52 2HG LYS 52 15.340 -7.003 -7.033 296 HD2 LYS 52 1HD LYS 52 14.544 -8.050 -4.958 297 HD3 LYS 52 2HD LYS 52 12.890 -7.602 -5.377 298 HE2 LYS 52 1HE LYS 52 13.380 -9.939 -5.940 299 HE3 LYS 52 2HE LYS 52 12.991 -8.982 -7.368 300 HZ1 LYS 52 3HZ LYS 52 15.744 -9.633 -6.476 301 HZ2 LYS 52 1HZ LYS 52 15.311 -8.836 -7.903 302 HZ3 LYS 52 2HZ LYS 52 14.908 -10.463 -7.689 303 H GLY 53 H GLY 53 13.014 -2.449 -5.727 304 HA2 GLY 53 1HA GLY 53 14.380 -1.388 -3.453 305 HA3 GLY 53 2HA GLY 53 13.375 -0.483 -4.579 306 H THR 54 H THR 54 11.033 -2.063 -4.238 307 HA THR 54 HA THR 54 10.037 -0.882 -1.803 308 HB THR 54 HB THR 54 8.584 -2.631 -3.803 309 HG1 THR 54 1HG THR 54 9.331 0.033 -3.846 310 HG21 THR 54 3HG2 THR 54 7.558 -0.760 -1.664 311 HG22 THR 54 1HG2 THR 54 7.427 -2.522 -1.667 312 HG23 THR 54 2HG2 THR 54 6.553 -1.568 -2.872 313 H THR 55 H THR 55 10.406 -4.129 -3.167 314 HA THR 55 HA THR 55 9.605 -5.675 -1.019 315 HB THR 55 HB THR 55 11.965 -6.151 -2.850 316 HG1 THR 55 1HG THR 55 9.764 -7.627 -3.362 317 HG21 THR 55 3HG2 THR 55 12.047 -7.570 -0.861 318 HG22 THR 55 1HG2 THR 55 11.684 -8.515 -2.306 319 HG23 THR 55 2HG2 THR 55 10.394 -8.107 -1.172 320 H ALA 56 H ALA 56 12.590 -3.920 -1.527 321 HA ALA 56 HA ALA 56 14.098 -4.825 0.610 322 HB1 ALA 56 3HB ALA 56 15.004 -3.357 -1.094 323 HB2 ALA 56 1HB ALA 56 15.247 -2.647 0.503 324 HB3 ALA 56 2HB ALA 56 13.962 -2.044 -0.547 325 H LEU 57 H LEU 57 11.851 -2.033 0.570 326 HA LEU 57 HA LEU 57 12.156 -1.333 3.275 327 HB2 LEU 57 1HB LEU 57 9.680 -1.026 1.588 328 HB3 LEU 57 2HB LEU 57 9.977 -0.220 3.112 329 HG LEU 57 HG LEU 57 10.712 1.498 1.922 330 HD11 LEU 57 1HD1 LEU 57 12.950 -0.254 0.954 331 HD12 LEU 57 2HD1 LEU 57 12.890 0.460 2.567 332 HD13 LEU 57 3HD1 LEU 57 12.962 1.500 1.142 333 HD21 LEU 57 3HD2 LEU 57 11.130 -0.188 -0.512 334 HD22 LEU 57 1HD2 LEU 57 10.764 1.533 -0.424 335 HD23 LEU 57 2HD2 LEU 57 9.526 0.339 -0.004 336 H LEU 58 H LEU 58 9.847 -3.422 1.651 337 HA LEU 58 HA LEU 58 8.292 -4.139 3.853 338 HB2 LEU 58 1HB LEU 58 9.028 -5.928 1.545 339 HB3 LEU 58 2HB LEU 58 7.596 -6.037 2.550 340 HG LEU 58 HG LEU 58 8.213 -3.764 0.648 341 HD11 LEU 58 1HD1 LEU 58 7.669 -5.878 -0.478 342 HD12 LEU 58 2HD1 LEU 58 6.405 -4.666 -0.690 343 HD13 LEU 58 3HD1 LEU 58 6.181 -5.985 0.465 344 HD21 LEU 58 3HD2 LEU 58 5.763 -4.340 2.319 345 HD22 LEU 58 1HD2 LEU 58 5.921 -3.049 1.127 346 HD23 LEU 58 2HD2 LEU 58 6.918 -3.032 2.582 347 H GLY 59 H GLY 59 11.194 -5.678 2.502 348 HA2 GLY 59 1HA GLY 59 11.430 -7.704 4.428 349 HA3 GLY 59 2HA GLY 59 12.747 -7.065 3.460 350 H LEU 60 H LEU 60 12.385 -4.327 4.512 351 HA LEU 60 HA LEU 60 14.092 -4.449 6.772 352 HB2 LEU 60 1HB LEU 60 12.329 -2.149 5.909 353 HB3 LEU 60 2HB LEU 60 13.711 -2.046 6.983 354 HG LEU 60 HG LEU 60 13.706 -2.545 4.015 355 HD11 LEU 60 1HD1 LEU 60 15.151 -0.584 3.990 356 HD12 LEU 60 2HD1 LEU 60 15.013 -0.457 5.743 357 HD13 LEU 60 3HD1 LEU 60 13.590 -0.228 4.729 358 HD21 LEU 60 3HD2 LEU 60 16.015 -2.797 5.931 359 HD22 LEU 60 1HD2 LEU 60 16.114 -2.870 4.172 360 HD23 LEU 60 2HD2 LEU 60 15.238 -4.119 5.061 361 H LEU 61 H LEU 61 10.680 -3.769 6.387 362 HA LEU 61 HA LEU 61 10.220 -3.525 9.235 363 HB2 LEU 61 1HB LEU 61 8.267 -3.602 6.936 364 HB3 LEU 61 2HB LEU 61 7.895 -3.136 8.586 365 HG LEU 61 HG LEU 61 10.061 -1.608 7.275 366 HD11 LEU 61 1HD1 LEU 61 8.472 -0.194 6.072 367 HD12 LEU 61 2HD1 LEU 61 7.174 -1.317 6.477 368 HD13 LEU 61 3HD1 LEU 61 8.501 -1.838 5.437 369 HD21 LEU 61 3HD2 LEU 61 9.225 -1.140 9.555 370 HD22 LEU 61 1HD2 LEU 61 7.640 -0.775 8.867 371 HD23 LEU 61 2HD2 LEU 61 9.035 0.227 8.454 372 H ASN 62 H ASN 62 10.618 -6.053 7.202 373 HA ASN 62 HA ASN 62 10.411 -8.285 7.430 374 HB2 ASN 62 1HB ASN 62 10.917 -7.834 9.840 375 HB3 ASN 62 2HB ASN 62 9.184 -7.793 10.127 376 HD21 ASN 62 2HD2 ASN 62 9.286 -9.544 11.523 377 HD22 ASN 62 1HD2 ASN 62 9.520 -11.158 10.959 378 H ILE 63 H ILE 63 8.431 -6.773 6.132 379 HA ILE 63 HA ILE 63 5.904 -8.040 6.730 380 HB ILE 63 HB ILE 63 6.735 -6.313 4.393 381 HG12 ILE 63 1HG1 ILE 63 4.981 -5.535 6.709 382 HG13 ILE 63 2HG1 ILE 63 6.733 -5.386 6.801 383 HG21 ILE 63 1HG2 ILE 63 3.985 -7.188 5.284 384 HG22 ILE 63 2HG2 ILE 63 4.831 -7.743 3.839 385 HG23 ILE 63 3HG2 ILE 63 4.338 -6.055 3.979 386 HD11 ILE 63 3HD1 ILE 63 5.046 -4.134 4.668 387 HD12 ILE 63 1HD1 ILE 63 6.761 -3.872 4.982 388 HD13 ILE 63 2HD1 ILE 63 5.559 -3.316 6.147 389 H LYS 64 H LYS 64 5.029 -9.726 5.700 390 HA LYS 64 HA LYS 64 6.770 -11.348 4.078 391 HB2 LYS 64 1HB LYS 64 4.069 -11.699 5.333 392 HB3 LYS 64 2HB LYS 64 4.651 -12.844 4.136 393 HG2 LYS 64 1HG LYS 64 5.037 -13.576 6.425 394 HG3 LYS 64 2HG LYS 64 6.529 -13.405 5.522 395 HD2 LYS 64 1HD LYS 64 6.915 -12.561 7.704 396 HD3 LYS 64 2HD LYS 64 6.805 -11.175 6.620 397 HE2 LYS 64 1HE LYS 64 4.501 -10.800 7.312 398 HE3 LYS 64 2HE LYS 64 4.569 -12.220 8.351 399 HZ1 LYS 64 3HZ LYS 64 4.879 -10.133 9.564 400 HZ2 LYS 64 1HZ LYS 64 6.275 -9.808 8.664 401 HZ3 LYS 64 2HZ LYS 64 6.227 -11.145 9.697 402 H ILE 65 H ILE 65 6.879 -11.118 1.972 403 HA ILE 65 HA ILE 65 5.031 -9.597 0.456 404 HB ILE 65 HB ILE 65 7.358 -11.346 -0.317 405 HG12 ILE 65 1HG1 ILE 65 8.267 -9.188 -1.164 406 HG13 ILE 65 2HG1 ILE 65 6.826 -8.380 -0.570 407 HG21 ILE 65 1HG2 ILE 65 7.081 -10.730 -2.631 408 HG22 ILE 65 2HG2 ILE 65 5.646 -9.788 -2.234 409 HG23 ILE 65 3HG2 ILE 65 5.620 -11.545 -2.065 410 HD11 ILE 65 3HD1 ILE 65 7.437 -8.980 1.716 411 HD12 ILE 65 1HD1 ILE 65 8.720 -8.063 0.924 412 HD13 ILE 65 2HD1 ILE 65 8.872 -9.810 1.114 413 H GLY 66 H GLY 66 5.409 -12.990 1.156 414 HA2 GLY 66 1HA GLY 66 3.541 -13.895 -0.826 415 HA3 GLY 66 2HA GLY 66 4.207 -14.847 0.491 416 H ASP 67 H ASP 67 3.172 -12.362 2.157 417 HA ASP 67 HA ASP 67 0.517 -13.504 2.619 418 HB2 ASP 67 1HB ASP 67 1.901 -13.207 4.588 419 HB3 ASP 67 2HB ASP 67 2.158 -11.511 4.197 420 H LEU 68 H LEU 68 1.916 -11.072 0.853 421 HA LEU 68 HA LEU 68 0.052 -8.979 1.242 422 HB2 LEU 68 1HB LEU 68 1.902 -9.548 -1.063 423 HB3 LEU 68 2HB LEU 68 0.998 -8.063 -0.836 424 HG LEU 68 HG LEU 68 3.115 -9.112 1.037 425 HD11 LEU 68 1HD1 LEU 68 4.442 -7.226 0.261 426 HD12 LEU 68 2HD1 LEU 68 3.172 -6.792 -0.882 427 HD13 LEU 68 3HD1 LEU 68 4.046 -8.312 -1.069 428 HD21 LEU 68 3HD2 LEU 68 1.466 -6.595 1.066 429 HD22 LEU 68 1HD2 LEU 68 2.879 -6.879 2.088 430 HD23 LEU 68 2HD2 LEU 68 1.447 -7.897 2.253 431 H LYS 69 H LYS 69 -1.613 -8.284 -0.051 432 HA LYS 69 HA LYS 69 -3.106 -10.569 -1.106 433 HB2 LYS 69 1HB LYS 69 -4.091 -7.912 -0.085 434 HB3 LYS 69 2HB LYS 69 -5.094 -9.278 -0.533 435 HG2 LYS 69 1HG LYS 69 -4.323 -10.567 1.293 436 HG3 LYS 69 2HG LYS 69 -3.027 -9.423 1.636 437 HD2 LYS 69 1HD LYS 69 -4.717 -7.725 2.218 438 HD3 LYS 69 2HD LYS 69 -5.986 -8.916 1.931 439 HE2 LYS 69 1HE LYS 69 -5.059 -10.330 3.700 440 HE3 LYS 69 2HE LYS 69 -3.786 -9.146 3.983 441 HZ1 LYS 69 3HZ LYS 69 -5.591 -8.954 5.586 442 HZ2 LYS 69 1HZ LYS 69 -6.692 -8.656 4.340 443 HZ3 LYS 69 2HZ LYS 69 -5.456 -7.547 4.659 444 H ASP 70 H ASP 70 -3.161 -7.047 -1.722 445 HA ASP 70 HA ASP 70 -3.842 -7.692 -4.515 446 HB2 ASP 70 1HB ASP 70 -4.844 -5.540 -2.679 447 HB3 ASP 70 2HB ASP 70 -4.966 -5.362 -4.424 448 H LEU 71 H LEU 71 -3.271 -4.447 -3.410 449 HA LEU 71 HA LEU 71 -0.693 -4.429 -4.843 450 HB2 LEU 71 1HB LEU 71 -2.706 -2.225 -4.438 451 HB3 LEU 71 2HB LEU 71 -1.069 -1.935 -4.982 452 HG LEU 71 HG LEU 71 -2.124 -1.912 -6.968 453 HD11 LEU 71 1HD1 LEU 71 -1.922 -4.044 -8.151 454 HD12 LEU 71 2HD1 LEU 71 -1.691 -4.861 -6.605 455 HD13 LEU 71 3HD1 LEU 71 -0.512 -3.673 -7.158 456 HD21 LEU 71 3HD2 LEU 71 -4.073 -4.011 -6.044 457 HD22 LEU 71 1HD2 LEU 71 -4.151 -3.087 -7.546 458 HD23 LEU 71 2HD2 LEU 71 -4.351 -2.268 -5.993 459 H VAL 72 H VAL 72 0.831 -2.797 -4.055 460 HA VAL 72 HA VAL 72 0.376 -1.984 -1.263 461 HB VAL 72 HB VAL 72 2.404 -2.604 -0.526 462 HG11 VAL 72 1HG1 VAL 72 3.492 -4.507 -1.741 463 HG12 VAL 72 2HG1 VAL 72 2.313 -4.251 -3.029 464 HG13 VAL 72 3HG1 VAL 72 1.768 -4.688 -1.411 465 HG21 VAL 72 3HG2 VAL 72 3.729 -0.966 -1.507 466 HG22 VAL 72 1HG2 VAL 72 3.501 -1.627 -3.134 467 HG23 VAL 72 2HG2 VAL 72 4.513 -2.482 -1.973 468 H GLY 73 H GLY 73 1.706 0.108 -0.840 469 HA2 GLY 73 1HA GLY 73 1.886 1.645 -3.333 470 HA3 GLY 73 2HA GLY 73 0.955 2.270 -1.981 471 H LEU 74 H LEU 74 3.381 3.319 -3.331 472 HA LEU 74 HA LEU 74 5.054 3.371 -0.923 473 HB2 LEU 74 1HB LEU 74 7.005 3.857 -2.197 474 HB3 LEU 74 2HB LEU 74 6.246 2.434 -2.857 475 HG LEU 74 HG LEU 74 7.100 3.632 -4.681 476 HD11 LEU 74 1HD1 LEU 74 5.187 4.253 -6.014 477 HD12 LEU 74 2HD1 LEU 74 4.184 4.323 -4.566 478 HD13 LEU 74 3HD1 LEU 74 4.869 2.785 -5.090 479 HD21 LEU 74 3HD2 LEU 74 7.534 5.753 -3.641 480 HD22 LEU 74 1HD2 LEU 74 5.809 6.115 -3.582 481 HD23 LEU 74 2HD2 LEU 74 6.632 5.991 -5.136 482 H ASN 75 H ASN 75 5.469 5.162 0.077 483 HA ASN 75 HA ASN 75 5.225 7.286 0.832 484 HB2 ASN 75 1HB ASN 75 5.377 8.045 -2.092 485 HB3 ASN 75 2HB ASN 75 5.680 9.091 -0.713 486 HD21 ASN 75 2HD2 ASN 75 7.147 7.075 0.772 487 HD22 ASN 75 1HD2 ASN 75 8.679 6.917 -0.006 488 H CYS 76 H CYS 76 2.851 5.991 0.716 489 HA CYS 76 HA CYS 76 0.888 7.429 -0.813 490 HB2 CYS 76 2HB CYS 76 0.530 5.421 1.423 491 HB3 CYS 76 1HB CYS 76 -0.726 5.980 0.324 492 H SER 77 H SER 77 -0.642 8.808 -0.093 493 HA SER 77 HA SER 77 -0.192 10.125 2.483 494 HB2 SER 77 1HB SER 77 -0.316 11.528 0.440 495 HB3 SER 77 2HB SER 77 -1.942 10.928 0.140 496 HG SER 77 HG SER 77 -1.043 12.524 2.302 497 HA PRO 78 HA PRO 78 -3.711 7.665 3.911 498 HB2 PRO 78 2HB PRO 78 -3.259 9.161 6.405 499 HB3 PRO 78 1HB PRO 78 -3.250 7.417 6.129 500 HG2 PRO 78 2HG PRO 78 -0.989 8.776 6.617 501 HG3 PRO 78 1HG PRO 78 -1.026 7.392 5.510 502 HD2 PRO 78 2HD PRO 78 -0.996 10.321 4.881 503 HD3 PRO 78 1HD PRO 78 -0.127 8.988 4.092 504 H LEU 79 H LEU 79 -5.727 8.232 3.514 505 HA LEU 79 HA LEU 79 -6.506 11.049 3.812 506 HB2 LEU 79 1HB LEU 79 -7.922 8.841 2.319 507 HB3 LEU 79 2HB LEU 79 -8.264 10.556 2.230 508 HG LEU 79 HG LEU 79 -5.790 9.163 1.204 509 HD11 LEU 79 1HD1 LEU 79 -8.055 10.528 -0.230 510 HD12 LEU 79 2HD1 LEU 79 -7.745 8.791 -0.164 511 HD13 LEU 79 3HD1 LEU 79 -6.608 9.859 -0.983 512 HD21 LEU 79 3HD2 LEU 79 -5.154 11.327 2.029 513 HD22 LEU 79 1HD2 LEU 79 -6.514 12.089 1.200 514 HD23 LEU 79 2HD2 LEU 79 -5.200 11.376 0.264 515 H SER 80 H SER 80 -6.963 11.031 6.005 516 HA SER 80 HA SER 80 -8.547 8.962 7.205 517 HB2 SER 80 1HB SER 80 -7.780 11.668 8.329 518 HB3 SER 80 2HB SER 80 -8.289 10.249 9.243 519 HG SER 80 HG SER 80 -6.344 9.443 9.079 520 H VAL 81 H VAL 81 -9.109 12.147 5.885 521 HA VAL 81 HA VAL 81 -11.907 12.017 6.769 522 HB VAL 81 HB VAL 81 -11.907 14.522 6.385 523 HG11 VAL 81 1HG1 VAL 81 -10.122 13.381 8.536 524 HG12 VAL 81 2HG1 VAL 81 -11.877 13.535 8.608 525 HG13 VAL 81 3HG1 VAL 81 -10.867 14.980 8.567 526 HG21 VAL 81 3HG2 VAL 81 -9.744 15.665 6.487 527 HG22 VAL 81 1HG2 VAL 81 -9.858 14.661 5.040 528 HG23 VAL 81 2HG2 VAL 81 -8.913 14.111 6.425 529 H ILE 82 H ILE 82 -13.041 11.173 5.189 530 HA ILE 82 HA ILE 82 -12.355 11.298 2.450 531 HB ILE 82 HB ILE 82 -14.882 10.446 3.827 532 HG12 ILE 82 1HG1 ILE 82 -12.944 9.069 4.335 533 HG13 ILE 82 2HG1 ILE 82 -14.059 8.186 3.306 534 HG21 ILE 82 1HG2 ILE 82 -15.523 9.378 1.715 535 HG22 ILE 82 2HG2 ILE 82 -14.133 10.124 0.927 536 HG23 ILE 82 3HG2 ILE 82 -15.431 11.135 1.570 537 HD11 ILE 82 3HD1 ILE 82 -12.638 8.708 1.366 538 HD12 ILE 82 1HD1 ILE 82 -11.791 7.789 2.608 539 HD13 ILE 82 2HD1 ILE 82 -11.506 9.519 2.446 540 H GLY 83 H GLY 83 -14.878 12.933 4.342 541 HA2 GLY 83 1HA GLY 83 -16.044 14.192 2.067 542 HA3 GLY 83 2HA GLY 83 -16.363 14.584 3.746 543 H VAL 84 H VAL 84 -13.499 15.084 4.285 544 HA VAL 84 HA VAL 84 -13.490 17.848 3.520 545 HB VAL 84 HB VAL 84 -11.339 16.269 4.942 546 HG11 VAL 84 1HG1 VAL 84 -10.535 18.448 5.708 547 HG12 VAL 84 2HG1 VAL 84 -11.773 19.248 4.741 548 HG13 VAL 84 3HG1 VAL 84 -10.491 18.335 3.949 549 HG21 VAL 84 3HG2 VAL 84 -13.437 16.223 6.169 550 HG22 VAL 84 1HG2 VAL 84 -13.567 17.976 6.045 551 HG23 VAL 84 2HG2 VAL 84 -12.266 17.253 6.991 552 H GLY 85 H GLY 85 -11.473 15.012 2.718 553 HA2 GLY 85 1HA GLY 85 -10.893 16.151 0.136 554 HA3 GLY 85 2HA GLY 85 -9.508 16.156 1.214 555 H GLY 86 H GLY 86 -12.095 13.851 0.353 556 HA2 GLY 86 1HA GLY 86 -10.012 11.782 0.105 557 HA3 GLY 86 2HA GLY 86 -11.723 11.475 0.368 558 H ASN 87 H ASN 87 -12.359 13.586 -1.682 559 HA ASN 87 HA ASN 87 -12.342 11.799 -3.958 560 HB2 ASN 87 1HB ASN 87 -14.384 13.022 -3.486 561 HB3 ASN 87 2HB ASN 87 -13.526 14.554 -3.559 562 HD21 ASN 87 2HD2 ASN 87 -14.827 15.366 -5.164 563 HD22 ASN 87 1HD2 ASN 87 -14.768 14.794 -6.798 564 H SER 88 H SER 88 -11.038 11.910 -5.664 565 HA SER 88 HA SER 88 -9.171 12.374 -6.848 566 HB2 SER 88 1HB SER 88 -9.086 14.757 -7.747 567 HB3 SER 88 2HB SER 88 -10.561 13.849 -8.062 568 HG SER 88 HG SER 88 -10.700 15.211 -5.714 569 H CYS 89 H CYS 89 -7.494 11.914 -5.558 570 HA CYS 89 HA CYS 89 -6.634 13.865 -3.575 571 HB2 CYS 89 2HB CYS 89 -5.303 12.039 -2.650 572 HB3 CYS 89 1HB CYS 89 -6.965 11.522 -2.882 573 H SER 90 H SER 90 -6.178 13.906 -6.596 574 HA SER 90 HA SER 90 -4.620 14.725 -8.015 575 HB2 SER 90 1HB SER 90 -4.051 16.254 -6.121 576 HB3 SER 90 2HB SER 90 -2.844 15.088 -5.587 577 HG SER 90 HG SER 90 -2.293 15.437 -8.084 578 H ALA 91 H ALA 91 -4.497 11.913 -6.529 579 HA ALA 91 HA ALA 91 -2.503 10.886 -8.362 580 HB1 ALA 91 3HB ALA 91 -1.091 11.377 -6.487 581 HB2 ALA 91 1HB ALA 91 -1.324 9.633 -6.562 582 HB3 ALA 91 2HB ALA 91 -2.213 10.590 -5.378 583 H GLN 92 H GLN 92 -2.340 8.293 -7.156 584 HA GLN 92 HA GLN 92 -4.934 7.342 -7.978 585 HB2 GLN 92 1HB GLN 92 -3.534 5.881 -8.953 586 HB3 GLN 92 2HB GLN 92 -2.201 6.322 -7.889 587 HG2 GLN 92 1HG GLN 92 -2.764 4.740 -6.323 588 HG3 GLN 92 2HG GLN 92 -4.400 4.548 -6.929 589 HE21 GLN 92 2HE2 GLN 92 -1.613 4.674 -9.020 590 HE22 GLN 92 1HE2 GLN 92 -1.685 3.019 -9.520 591 H THR 93 H THR 93 -6.481 6.702 -6.654 592 HA THR 93 HA THR 93 -5.900 6.811 -3.782 593 HB THR 93 HB THR 93 -8.716 6.858 -4.502 594 HG1 THR 93 1HG THR 93 -6.920 8.717 -5.696 595 HG21 THR 93 3HG2 THR 93 -8.715 8.822 -3.084 596 HG22 THR 93 1HG2 THR 93 -6.951 8.912 -3.155 597 HG23 THR 93 2HG2 THR 93 -7.738 7.560 -2.334 598 H VAL 94 H VAL 94 -5.807 4.934 -2.785 599 HA VAL 94 HA VAL 94 -7.537 2.738 -3.710 600 HB VAL 94 HB VAL 94 -5.696 1.175 -2.954 601 HG11 VAL 94 1HG1 VAL 94 -5.223 2.981 -5.320 602 HG12 VAL 94 2HG1 VAL 94 -6.116 1.461 -5.292 603 HG13 VAL 94 3HG1 VAL 94 -4.378 1.461 -5.039 604 HG21 VAL 94 3HG2 VAL 94 -4.411 2.771 -1.638 605 HG22 VAL 94 1HG2 VAL 94 -4.055 3.702 -3.092 606 HG23 VAL 94 2HG2 VAL 94 -3.417 2.068 -2.914 607 H CYS 95 H CYS 95 -7.857 1.053 -2.061 608 HA CYS 95 HA CYS 95 -7.897 2.194 0.658 609 HB2 CYS 95 2HB CYS 95 -10.102 1.536 -0.699 610 HB3 CYS 95 1HB CYS 95 -9.696 -0.068 -0.102 611 H CYS 96 H CYS 96 -6.686 1.109 2.134 612 HA CYS 96 HA CYS 96 -5.458 -1.389 1.176 613 HB2 CYS 96 2HB CYS 96 -4.056 0.819 2.675 614 HB3 CYS 96 1HB CYS 96 -3.322 -0.604 1.935 615 H THR 97 H THR 97 -4.560 -2.784 2.769 616 HA THR 97 HA THR 97 -6.549 -3.117 4.839 617 HB THR 97 HB THR 97 -5.774 -4.982 3.333 618 HG1 THR 97 1HG THR 97 -6.245 -5.043 5.975 619 HG21 THR 97 3HG2 THR 97 -3.316 -4.997 5.081 620 HG22 THR 97 1HG2 THR 97 -3.348 -4.411 3.418 621 HG23 THR 97 2HG2 THR 97 -3.693 -6.105 3.763 622 H ASN 98 H ASN 98 -3.212 -2.228 4.572 623 HA ASN 98 HA ASN 98 -3.084 -1.522 7.373 624 HB2 ASN 98 1HB ASN 98 -1.289 -3.674 6.229 625 HB3 ASN 98 2HB ASN 98 -0.881 -2.765 7.674 626 HD21 ASN 98 2HD2 ASN 98 -2.074 -3.095 9.554 627 HD22 ASN 98 1HD2 ASN 98 -3.052 -4.506 9.775 628 H THR 99 H THR 99 -0.890 -0.485 7.827 629 HA THR 99 HA THR 99 0.404 0.584 5.460 630 HB THR 99 HB THR 99 -1.362 2.179 5.710 631 HG1 THR 99 1HG THR 99 0.583 3.162 5.237 632 HG21 THR 99 3HG2 THR 99 -0.527 2.454 8.598 633 HG22 THR 99 1HG2 THR 99 -2.015 1.710 8.011 634 HG23 THR 99 2HG2 THR 99 -1.744 3.437 7.784 635 H TYR 100 H TYR 100 2.499 1.024 5.781 636 HA TYR 100 HA TYR 100 3.493 1.118 8.551 637 HB2 TYR 100 2HB TYR 100 4.856 -0.352 6.270 638 HB3 TYR 100 1HB TYR 100 5.438 -0.222 7.922 639 HD1 TYR 100 1HD TYR 100 2.923 -1.797 5.742 640 HD2 TYR 100 2HD TYR 100 4.551 -1.606 9.668 641 HE1 TYR 100 1HE TYR 100 1.739 -3.870 6.328 642 HE2 TYR 100 2HE TYR 100 3.371 -3.680 10.262 643 HH TYR 100 HH TYR 100 1.373 -4.943 9.511 644 H GLN 101 H GLN 101 5.439 2.340 8.824 645 HA GLN 101 HA GLN 101 6.881 4.061 8.431 646 HB2 GLN 101 1HB GLN 101 6.663 2.782 5.731 647 HB3 GLN 101 2HB GLN 101 7.593 4.261 5.933 648 HG2 GLN 101 1HG GLN 101 8.074 1.834 7.622 649 HG3 GLN 101 2HG GLN 101 8.856 2.077 6.060 650 HE21 GLN 101 2HE2 GLN 101 10.366 3.668 5.817 651 HE22 GLN 101 1HE2 GLN 101 11.060 4.514 7.147 652 H HIS 102 H HIS 102 4.117 4.637 8.510 653 HA HIS 102 HA HIS 102 2.682 6.341 8.284 654 HB2 HIS 102 1HB HIS 102 3.516 8.485 8.415 655 HB3 HIS 102 2HB HIS 102 4.894 7.523 8.912 656 HD1 HIS 102 HD1 HIS 102 3.652 9.484 5.921 657 HD2 HIS 102 HD2 HIS 102 7.176 7.919 7.471 658 HE1 HIS 102 HE1 HIS 102 5.493 10.451 4.515 659 HE2 HIS 102 HE2 HIS 102 7.619 9.624 5.578 660 H GLY 103 H GLY 103 3.894 4.915 5.638 661 HA2 GLY 103 1HA GLY 103 1.964 5.015 3.920 662 HA3 GLY 103 2HA GLY 103 2.504 6.679 3.759 663 H LEU 104 H LEU 104 5.343 5.597 4.316 664 HA LEU 104 HA LEU 104 6.326 5.556 1.744 665 HB2 LEU 104 1HB LEU 104 7.523 3.912 3.967 666 HB3 LEU 104 2HB LEU 104 8.352 4.569 2.575 667 HG LEU 104 HG LEU 104 7.314 6.063 4.974 668 HD11 LEU 104 1HD1 LEU 104 9.638 6.768 5.162 669 HD12 LEU 104 2HD1 LEU 104 10.047 5.781 3.758 670 HD13 LEU 104 3HD1 LEU 104 9.471 5.015 5.237 671 HD21 LEU 104 3HD2 LEU 104 6.742 7.386 3.046 672 HD22 LEU 104 1HD2 LEU 104 8.375 7.196 2.403 673 HD23 LEU 104 2HD2 LEU 104 8.116 8.104 3.892 674 H VAL 105 H VAL 105 5.382 2.742 3.691 675 HA VAL 105 HA VAL 105 4.906 1.294 1.156 676 HB VAL 105 HB VAL 105 5.313 -0.820 2.607 677 HG11 VAL 105 1HG1 VAL 105 7.668 -0.830 1.968 678 HG12 VAL 105 2HG1 VAL 105 7.606 0.912 1.700 679 HG13 VAL 105 3HG1 VAL 105 6.657 -0.172 0.681 680 HG21 VAL 105 3HG2 VAL 105 7.061 1.135 4.084 681 HG22 VAL 105 1HG2 VAL 105 6.915 -0.596 4.372 682 HG23 VAL 105 2HG2 VAL 105 5.557 0.473 4.720 683 H ASN 106 H ASN 106 2.910 0.878 0.901 684 HA ASN 106 HA ASN 106 1.118 0.618 3.234 685 HB2 ASN 106 1HB ASN 106 1.034 2.650 1.530 686 HB3 ASN 106 2HB ASN 106 0.170 1.488 0.526 687 HD21 ASN 106 2HD2 ASN 106 -1.641 2.818 0.653 688 HD22 ASN 106 1HD2 ASN 106 -2.640 2.840 2.061 689 H VAL 107 H VAL 107 -0.538 -1.077 3.017 690 HA VAL 107 HA VAL 107 0.070 -2.938 0.814 691 HB VAL 107 HB VAL 107 -0.153 -4.840 2.446 692 HG11 VAL 107 1HG1 VAL 107 1.997 -4.194 1.503 693 HG12 VAL 107 2HG1 VAL 107 2.184 -4.690 3.186 694 HG13 VAL 107 3HG1 VAL 107 2.200 -2.977 2.764 695 HG21 VAL 107 3HG2 VAL 107 0.313 -2.645 4.452 696 HG22 VAL 107 1HG2 VAL 107 0.366 -4.376 4.786 697 HG23 VAL 107 2HG2 VAL 107 -1.147 -3.620 4.287 698 H GLY 108 H GLY 108 -1.464 -4.542 0.352 699 HA2 GLY 108 1HA GLY 108 -3.562 -5.399 0.034 700 HA3 GLY 108 2HA GLY 108 -3.973 -4.787 1.629 701 H CYS 109 H CYS 109 -3.069 -3.258 -1.442 702 HA CYS 109 HA CYS 109 -5.128 -1.258 -0.902 703 HB2 CYS 109 2HB CYS 109 -2.743 -1.253 -2.750 704 HB3 CYS 109 1HB CYS 109 -3.911 0.054 -2.657 705 H THR 110 H THR 110 -6.943 -1.238 -1.968 706 HA THR 110 HA THR 110 -7.032 -2.373 -4.684 707 HB THR 110 HB THR 110 -9.539 -2.617 -4.190 708 HG1 THR 110 1HG THR 110 -9.898 -1.602 -2.307 709 HG21 THR 110 3HG2 THR 110 -8.036 -4.535 -4.353 710 HG22 THR 110 1HG2 THR 110 -9.230 -4.785 -3.081 711 HG23 THR 110 2HG2 THR 110 -7.577 -4.332 -2.663 712 HA PRO 111 HA PRO 111 -7.753 1.854 -6.016 713 HB2 PRO 111 2HB PRO 111 -9.171 0.355 -8.176 714 HB3 PRO 111 1HB PRO 111 -7.987 1.663 -8.301 715 HG2 PRO 111 2HG PRO 111 -7.254 -0.845 -8.782 716 HG3 PRO 111 1HG PRO 111 -6.186 0.252 -7.890 717 HD2 PRO 111 2HD PRO 111 -7.883 -1.982 -6.875 718 HD3 PRO 111 1HD PRO 111 -6.287 -1.433 -6.328 719 H ILE 112 H ILE 112 -9.239 2.974 -4.945 720 HA ILE 112 HA ILE 112 -11.916 1.825 -4.648 721 HB ILE 112 HB ILE 112 -10.694 2.373 -2.573 722 HG12 ILE 112 1HG1 ILE 112 -13.122 4.111 -3.060 723 HG13 ILE 112 2HG1 ILE 112 -13.150 2.414 -2.602 724 HG21 ILE 112 1HG2 ILE 112 -9.395 4.262 -3.348 725 HG22 ILE 112 2HG2 ILE 112 -10.355 4.718 -1.940 726 HG23 ILE 112 3HG2 ILE 112 -10.864 5.215 -3.554 727 HD11 ILE 112 3HD1 ILE 112 -13.607 3.833 -0.699 728 HD12 ILE 112 1HD1 ILE 112 -12.078 4.678 -0.942 729 HD13 ILE 112 2HD1 ILE 112 -12.080 2.976 -0.479 730 H ASN 113 H ASN 113 -13.766 3.002 -5.027 731 HA ASN 113 HA ASN 113 -13.443 5.541 -6.486 732 HB2 ASN 113 1HB ASN 113 -15.532 3.405 -6.995 733 HB3 ASN 113 2HB ASN 113 -15.368 4.923 -7.868 734 HD21 ASN 113 2HD2 ASN 113 -14.113 1.732 -7.407 735 HD22 ASN 113 1HD2 ASN 113 -13.060 1.726 -8.778 736 H ILE 114 H ILE 114 -14.146 7.084 -5.123 737 HA ILE 114 HA ILE 114 -16.094 6.496 -3.112 738 HB ILE 114 HB ILE 114 -15.969 9.147 -2.888 739 HG12 ILE 114 1HG1 ILE 114 -13.628 9.876 -3.327 740 HG13 ILE 114 2HG1 ILE 114 -13.352 8.378 -4.205 741 HG21 ILE 114 1HG2 ILE 114 -14.172 8.794 -1.255 742 HG22 ILE 114 2HG2 ILE 114 -13.878 7.198 -1.945 743 HG23 ILE 114 3HG2 ILE 114 -15.419 7.550 -1.164 744 HD11 ILE 114 3HD1 ILE 114 -15.297 10.546 -4.934 745 HD12 ILE 114 1HD1 ILE 114 -15.077 9.030 -5.807 746 HD13 ILE 114 2HD1 ILE 114 -13.758 10.200 -5.725 747 H GLY 115 H GLY 115 -16.209 7.844 -6.298 748 HA2 GLY 115 1HA GLY 115 -18.138 7.802 -7.613 749 HA3 GLY 115 2HA GLY 115 -19.102 7.619 -6.160 750 H LEU 116 H LEU 116 -16.931 10.131 -5.753 751 HA LEU 116 HA LEU 116 -19.027 12.089 -6.178 752 HB2 LEU 116 1HB LEU 116 -16.258 12.295 -5.018 753 HB3 LEU 116 2HB LEU 116 -17.232 13.711 -5.353 754 HG LEU 116 HG LEU 116 -19.003 12.665 -3.831 755 HD11 LEU 116 1HD1 LEU 116 -18.084 10.402 -3.780 756 HD12 LEU 116 2HD1 LEU 116 -18.201 11.091 -2.161 757 HD13 LEU 116 3HD1 LEU 116 -16.638 11.010 -2.973 758 HD21 LEU 116 3HD2 LEU 116 -17.909 13.522 -1.820 759 HD22 LEU 116 1HD2 LEU 116 -17.656 14.590 -3.199 760 HD23 LEU 116 2HD2 LEU 116 -16.360 13.522 -2.662 Start of MODEL 4 1 H1 LYS 10 1H LYS 10 -12.976 -36.497 7.562 2 H2 LYS 10 2H LYS 10 -12.856 -34.813 7.558 3 H3 LYS 10 3H LYS 10 -11.519 -35.754 7.980 4 HA LYS 10 HA LYS 10 -11.323 -34.856 5.742 5 HB2 LYS 10 1HB LYS 10 -11.592 -37.843 6.063 6 HB3 LYS 10 2HB LYS 10 -10.993 -37.108 4.584 7 HG2 LYS 10 1HG LYS 10 -9.759 -36.723 7.302 8 HG3 LYS 10 2HG LYS 10 -9.209 -37.893 6.101 9 HD2 LYS 10 1HD LYS 10 -8.781 -36.056 4.526 10 HD3 LYS 10 2HD LYS 10 -9.304 -34.896 5.748 11 HE2 LYS 10 1HE LYS 10 -7.490 -35.597 7.210 12 HE3 LYS 10 2HE LYS 10 -6.980 -36.796 6.022 13 HZ1 LYS 10 3HZ LYS 10 -6.986 -33.853 5.638 14 HZ2 LYS 10 1HZ LYS 10 -6.535 -34.987 4.467 15 HZ3 LYS 10 2HZ LYS 10 -5.624 -34.822 5.881 16 H ALA 11 H ALA 11 -14.047 -34.368 6.173 17 HA ALA 11 HA ALA 11 -15.294 -35.535 3.782 18 HB1 ALA 11 3HB ALA 11 -16.591 -34.086 6.088 19 HB2 ALA 11 1HB ALA 11 -16.552 -35.834 5.865 20 HB3 ALA 11 2HB ALA 11 -17.426 -34.817 4.719 21 H MET 12 H MET 12 -14.223 -34.195 2.301 22 HA MET 12 HA MET 12 -14.320 -31.334 2.541 23 HB2 MET 12 1HB MET 12 -13.541 -33.095 0.209 24 HB3 MET 12 2HB MET 12 -13.345 -31.349 0.258 25 HG2 MET 12 1HG MET 12 -12.011 -33.319 2.100 26 HG3 MET 12 2HG MET 12 -11.259 -32.515 0.724 27 HE1 MET 12 3HE MET 12 -9.276 -31.652 2.235 28 HE2 MET 12 1HE MET 12 -9.990 -32.491 3.612 29 HE3 MET 12 2HE MET 12 -9.508 -30.801 3.762 30 H ALA 13 H ALA 13 -16.764 -31.557 2.845 31 HA ALA 13 HA ALA 13 -18.110 -31.413 0.228 32 HB1 ALA 13 3HB ALA 13 -18.986 -33.165 1.705 33 HB2 ALA 13 1HB ALA 13 -20.187 -31.909 1.407 34 HB3 ALA 13 2HB ALA 13 -19.317 -31.952 2.941 35 H ASP 14 H ASP 14 -19.006 -29.531 -0.376 36 HA ASP 14 HA ASP 14 -18.529 -27.183 1.195 37 HB2 ASP 14 1HB ASP 14 -18.431 -27.243 -1.312 38 HB3 ASP 14 2HB ASP 14 -20.182 -27.431 -1.328 39 H ILE 15 H ILE 15 -19.710 -27.217 3.048 40 HA ILE 15 HA ILE 15 -22.634 -27.473 2.778 41 HB ILE 15 HB ILE 15 -22.664 -28.090 5.172 42 HG12 ILE 15 1HG1 ILE 15 -19.652 -28.212 4.906 43 HG13 ILE 15 2HG1 ILE 15 -20.529 -26.956 5.773 44 HG21 ILE 15 1HG2 ILE 15 -22.679 -29.832 3.481 45 HG22 ILE 15 2HG2 ILE 15 -21.762 -30.357 4.892 46 HG23 ILE 15 3HG2 ILE 15 -20.915 -29.830 3.438 47 HD11 ILE 15 3HD1 ILE 15 -19.629 -28.616 7.290 48 HD12 ILE 15 1HD1 ILE 15 -20.517 -29.885 6.447 49 HD13 ILE 15 2HD1 ILE 15 -21.392 -28.628 7.320 50 H GLY 16 H GLY 16 -23.939 -26.152 4.174 51 HA2 GLY 16 1HA GLY 16 -22.604 -23.636 4.961 52 HA3 GLY 16 2HA GLY 16 -24.231 -23.706 4.291 53 H SER 17 H SER 17 -22.443 -25.349 6.886 54 HA SER 17 HA SER 17 -24.857 -25.423 8.494 55 HB2 SER 17 1HB SER 17 -22.093 -26.487 9.115 56 HB3 SER 17 2HB SER 17 -23.585 -26.872 9.976 57 HG SER 17 HG SER 17 -24.015 -27.365 7.413 58 H THR 18 H THR 18 -22.397 -23.250 8.013 59 HA THR 18 HA THR 18 -21.971 -22.340 10.670 60 HB THR 18 HB THR 18 -20.397 -21.799 8.858 61 HG1 THR 18 1HG THR 18 -20.088 -20.312 10.362 62 HG21 THR 18 3HG2 THR 18 -22.595 -20.014 7.811 63 HG22 THR 18 1HG2 THR 18 -21.988 -21.475 7.032 64 HG23 THR 18 2HG2 THR 18 -20.938 -20.069 7.210 65 H ALA 19 H ALA 19 -22.945 -20.656 11.785 66 HA ALA 19 HA ALA 19 -25.677 -20.076 10.885 67 HB1 ALA 19 3HB ALA 19 -24.453 -19.819 13.632 68 HB2 ALA 19 1HB ALA 19 -25.438 -21.166 13.064 69 HB3 ALA 19 2HB ALA 19 -26.149 -19.560 13.222 70 H VAL 20 H VAL 20 -26.491 -18.029 10.790 71 HA VAL 20 HA VAL 20 -26.559 -15.787 10.498 72 HB VAL 20 HB VAL 20 -24.319 -15.668 12.522 73 HG11 VAL 20 1HG1 VAL 20 -26.408 -13.637 11.744 74 HG12 VAL 20 2HG1 VAL 20 -24.690 -13.564 11.353 75 HG13 VAL 20 3HG1 VAL 20 -25.218 -13.448 13.032 76 HG21 VAL 20 3HG2 VAL 20 -27.304 -15.714 12.964 77 HG22 VAL 20 1HG2 VAL 20 -26.088 -15.421 14.207 78 HG23 VAL 20 2HG2 VAL 20 -26.164 -16.986 13.399 79 HA PRO 21 HA PRO 21 -23.057 -15.739 7.492 80 HB2 PRO 21 2HB PRO 21 -24.570 -14.723 5.466 81 HB3 PRO 21 1HB PRO 21 -24.435 -16.453 5.800 82 HG2 PRO 21 2HG PRO 21 -26.595 -14.538 6.591 83 HG3 PRO 21 1HG PRO 21 -26.741 -16.183 5.944 84 HD2 PRO 21 2HD PRO 21 -27.006 -15.663 8.570 85 HD3 PRO 21 1HD PRO 21 -26.261 -17.163 7.986 86 H ARG 22 H ARG 22 -25.339 -13.410 8.688 87 HA ARG 22 HA ARG 22 -23.616 -11.213 7.767 88 HB2 ARG 22 1HB ARG 22 -26.420 -11.072 8.879 89 HB3 ARG 22 2HB ARG 22 -25.484 -9.720 8.264 90 HG2 ARG 22 1HG ARG 22 -25.487 -10.751 6.037 91 HG3 ARG 22 2HG ARG 22 -26.480 -12.068 6.670 92 HD2 ARG 22 1HD ARG 22 -28.176 -10.383 7.345 93 HD3 ARG 22 2HD ARG 22 -27.207 -9.148 6.548 94 HE ARG 22 HE ARG 22 -27.796 -11.295 4.783 95 HH11 ARG 22 1HH1 ARG 22 -29.160 -8.431 6.252 96 HH12 ARG 22 2HH1 ARG 22 -30.329 -8.182 4.994 97 HH21 ARG 22 1HH2 ARG 22 -29.342 -10.994 3.136 98 HH22 ARG 22 2HH2 ARG 22 -30.425 -9.641 3.213 99 H ASP 23 H ASP 23 -22.035 -11.648 9.414 100 HA ASP 23 HA ASP 23 -22.739 -11.282 12.176 101 HB2 ASP 23 1HB ASP 23 -20.348 -11.290 12.618 102 HB3 ASP 23 2HB ASP 23 -20.743 -12.594 11.509 103 H VAL 24 H VAL 24 -22.065 -9.299 9.495 104 HA VAL 24 HA VAL 24 -22.659 -6.957 11.110 105 HB VAL 24 HB VAL 24 -20.213 -6.942 11.021 106 HG11 VAL 24 1HG1 VAL 24 -19.863 -8.256 9.009 107 HG12 VAL 24 2HG1 VAL 24 -19.014 -6.714 8.898 108 HG13 VAL 24 3HG1 VAL 24 -20.526 -6.952 8.023 109 HG21 VAL 24 3HG2 VAL 24 -21.461 -4.857 9.237 110 HG22 VAL 24 1HG2 VAL 24 -19.887 -4.723 10.022 111 HG23 VAL 24 2HG2 VAL 24 -21.355 -4.806 10.996 112 H ASN 25 H ASN 25 -23.950 -5.523 10.023 113 HA ASN 25 HA ASN 25 -25.010 -6.425 7.492 114 HB2 ASN 25 1HB ASN 25 -26.498 -5.578 9.289 115 HB3 ASN 25 2HB ASN 25 -25.762 -3.989 9.124 116 HD21 ASN 25 2HD2 ASN 25 -27.720 -3.046 8.578 117 HD22 ASN 25 1HD2 ASN 25 -28.463 -3.285 7.033 118 H GLY 26 H GLY 26 -23.064 -6.111 6.276 119 HA2 GLY 26 1HA GLY 26 -22.054 -3.444 5.860 120 HA3 GLY 26 2HA GLY 26 -21.555 -4.899 5.008 121 H GLY 27 H GLY 27 -23.350 -2.044 4.851 122 HA2 GLY 27 1HA GLY 27 -24.268 -2.801 2.161 123 HA3 GLY 27 2HA GLY 27 -25.401 -2.057 3.282 124 H THR 28 H THR 28 -22.063 -1.156 3.303 125 HA THR 28 HA THR 28 -22.726 1.587 2.802 126 HB THR 28 HB THR 28 -19.971 0.409 2.959 127 HG1 THR 28 1HG THR 28 -21.592 1.280 5.141 128 HG21 THR 28 3HG2 THR 28 -21.104 3.125 3.575 129 HG22 THR 28 1HG2 THR 28 -19.950 2.702 2.313 130 HG23 THR 28 2HG2 THR 28 -19.469 2.623 4.007 131 HA PRO 29 HA PRO 29 -22.414 1.289 -1.646 132 HB2 PRO 29 2HB PRO 29 -22.290 4.224 -1.431 133 HB3 PRO 29 1HB PRO 29 -23.428 3.203 -2.310 134 HG2 PRO 29 2HG PRO 29 -24.077 4.506 -0.023 135 HG3 PRO 29 1HG PRO 29 -24.818 2.974 -0.511 136 HD2 PRO 29 2HD PRO 29 -22.787 3.497 1.599 137 HD3 PRO 29 1HD PRO 29 -24.031 2.238 1.500 138 HA PRO 30 HA PRO 30 -18.321 3.744 -2.140 139 HB2 PRO 30 2HB PRO 30 -17.149 4.878 -0.010 140 HB3 PRO 30 1HB PRO 30 -18.311 5.742 -1.018 141 HG2 PRO 30 2HG PRO 30 -18.720 4.379 1.612 142 HG3 PRO 30 1HG PRO 30 -19.324 5.954 1.066 143 HD2 PRO 30 2HD PRO 30 -20.870 3.736 1.060 144 HD3 PRO 30 1HD PRO 30 -21.041 5.016 -0.150 145 H LYS 31 H LYS 31 -16.241 2.902 -2.014 146 HA LYS 31 HA LYS 31 -16.053 0.420 -0.523 147 HB2 LYS 31 1HB LYS 31 -14.294 1.641 -2.622 148 HB3 LYS 31 2HB LYS 31 -13.998 0.082 -1.888 149 HG2 LYS 31 1HG LYS 31 -16.111 -0.744 -2.787 150 HG3 LYS 31 2HG LYS 31 -16.422 0.835 -3.509 151 HD2 LYS 31 1HD LYS 31 -14.445 0.612 -4.905 152 HD3 LYS 31 2HD LYS 31 -14.061 -0.930 -4.144 153 HE2 LYS 31 1HE LYS 31 -16.543 -0.338 -5.753 154 HE3 LYS 31 2HE LYS 31 -15.129 -1.216 -6.337 155 HZ1 LYS 31 3HZ LYS 31 -16.898 -2.712 -5.643 156 HZ2 LYS 31 1HZ LYS 31 -16.869 -2.061 -4.085 157 HZ3 LYS 31 2HZ LYS 31 -15.531 -2.911 -4.671 158 H SER 32 H SER 32 -15.967 2.574 1.177 159 HA SER 32 HA SER 32 -13.299 3.449 1.677 160 HB2 SER 32 1HB SER 32 -15.210 4.842 2.287 161 HB3 SER 32 2HB SER 32 -15.770 3.618 3.422 162 HG SER 32 HG SER 32 -14.086 5.601 3.864 163 H CYS 33 H CYS 33 -12.257 3.121 3.792 164 HA CYS 33 HA CYS 33 -12.040 0.247 4.202 165 HB2 CYS 33 2HB CYS 33 -10.296 2.482 5.264 166 HB3 CYS 33 1HB CYS 33 -9.924 0.763 5.294 167 H SER 34 H SER 34 -12.893 -0.750 5.908 168 HA SER 34 HA SER 34 -14.353 0.634 7.895 169 HB2 SER 34 1HB SER 34 -14.851 -1.687 7.129 170 HB3 SER 34 2HB SER 34 -13.393 -2.238 7.948 171 HG SER 34 HG SER 34 -15.857 -1.590 8.971 172 H SER 35 H SER 35 -11.051 -0.189 7.594 173 HA SER 35 HA SER 35 -10.318 -0.138 10.340 174 HB2 SER 35 1HB SER 35 -8.907 -1.136 8.555 175 HB3 SER 35 2HB SER 35 -8.642 0.473 7.889 176 HG SER 35 HG SER 35 -7.928 -0.336 10.518 177 H GLY 36 H GLY 36 -11.279 2.280 8.138 178 HA2 GLY 36 1HA GLY 36 -11.756 4.405 9.458 179 HA3 GLY 36 2HA GLY 36 -10.028 4.381 9.779 180 HA PRO 37 HA PRO 37 -9.923 7.223 6.300 181 HB2 PRO 37 2HB PRO 37 -7.026 6.687 6.580 182 HB3 PRO 37 1HB PRO 37 -7.886 8.226 6.543 183 HG2 PRO 37 2HG PRO 37 -6.881 7.223 8.818 184 HG3 PRO 37 1HG PRO 37 -8.385 8.157 8.787 185 HD2 PRO 37 2HD PRO 37 -7.978 5.232 9.101 186 HD3 PRO 37 1HD PRO 37 -9.246 6.286 9.759 187 H VAL 38 H VAL 38 -9.479 7.138 4.177 188 HA VAL 38 HA VAL 38 -8.767 4.576 2.986 189 HB VAL 38 HB VAL 38 -9.698 7.208 1.790 190 HG11 VAL 38 1HG1 VAL 38 -9.925 6.029 -0.334 191 HG12 VAL 38 2HG1 VAL 38 -9.201 4.589 0.382 192 HG13 VAL 38 3HG1 VAL 38 -8.245 6.061 0.206 193 HG21 VAL 38 3HG2 VAL 38 -11.074 4.549 2.092 194 HG22 VAL 38 1HG2 VAL 38 -11.758 5.982 1.326 195 HG23 VAL 38 2HG2 VAL 38 -11.391 5.995 3.054 196 H TYR 39 H TYR 39 -7.040 4.658 1.190 197 HA TYR 39 HA TYR 39 -4.958 6.534 2.083 198 HB2 TYR 39 2HB TYR 39 -4.588 3.669 1.222 199 HB3 TYR 39 1HB TYR 39 -3.276 4.790 1.556 200 HD1 TYR 39 2HD TYR 39 -5.961 2.782 3.036 201 HD2 TYR 39 1HD TYR 39 -2.740 5.444 3.833 202 HE1 TYR 39 2HE TYR 39 -6.036 2.150 5.410 203 HE2 TYR 39 1HE TYR 39 -2.808 4.821 6.212 204 HH TYR 39 HH TYR 39 -4.352 3.879 7.833 205 H CYS 40 H CYS 40 -3.805 7.593 0.667 206 HA CYS 40 HA CYS 40 -4.530 7.260 -2.162 207 HB2 CYS 40 2HB CYS 40 -5.142 9.423 -1.177 208 HB3 CYS 40 1HB CYS 40 -3.471 9.681 -0.693 209 H CYS 41 H CYS 41 -3.007 6.319 -3.358 210 HA CYS 41 HA CYS 41 -0.200 6.684 -2.521 211 HB2 CYS 41 2HB CYS 41 -1.417 4.372 -4.054 212 HB3 CYS 41 1HB CYS 41 0.268 4.516 -3.562 213 H ASN 42 H ASN 42 1.028 7.737 -3.850 214 HA ASN 42 HA ASN 42 0.151 8.947 -6.204 215 HB2 ASN 42 1HB ASN 42 2.954 8.314 -5.274 216 HB3 ASN 42 2HB ASN 42 2.570 9.404 -6.606 217 HD21 ASN 42 2HD2 ASN 42 3.949 9.933 -4.089 218 HD22 ASN 42 1HD2 ASN 42 3.047 11.185 -3.311 219 H LYS 43 H LYS 43 1.441 5.847 -5.566 220 HA LYS 43 HA LYS 43 0.483 4.821 -8.036 221 HB2 LYS 43 1HB LYS 43 3.235 5.621 -7.923 222 HB3 LYS 43 2HB LYS 43 3.173 3.866 -7.963 223 HG2 LYS 43 1HG LYS 43 1.735 5.628 -9.934 224 HG3 LYS 43 2HG LYS 43 3.351 4.970 -10.196 225 HD2 LYS 43 1HD LYS 43 0.950 3.255 -9.593 226 HD3 LYS 43 2HD LYS 43 1.456 3.667 -11.231 227 HE2 LYS 43 1HE LYS 43 3.599 2.608 -10.876 228 HE3 LYS 43 2HE LYS 43 3.191 2.281 -9.193 229 HZ1 LYS 43 3HZ LYS 43 2.907 0.349 -10.661 230 HZ2 LYS 43 1HZ LYS 43 1.712 1.185 -11.517 231 HZ3 LYS 43 2HZ LYS 43 1.471 0.797 -9.889 232 H THR 44 H THR 44 -0.251 2.762 -7.531 233 HA THR 44 HA THR 44 0.777 1.570 -5.087 234 HB THR 44 HB THR 44 -0.843 -0.282 -5.605 235 HG1 THR 44 1HG THR 44 -2.405 1.166 -7.260 236 HG21 THR 44 3HG2 THR 44 -1.329 1.540 -4.046 237 HG22 THR 44 1HG2 THR 44 -2.774 1.006 -4.896 238 HG23 THR 44 2HG2 THR 44 -1.980 2.506 -5.371 239 H GLU 45 H GLU 45 1.411 -0.668 -5.064 240 HA GLU 45 HA GLU 45 3.000 -1.343 -7.448 241 HB2 GLU 45 1HB GLU 45 3.891 -0.639 -4.887 242 HB3 GLU 45 2HB GLU 45 4.105 -2.376 -4.982 243 HG2 GLU 45 1HG GLU 45 5.229 -0.298 -6.842 244 HG3 GLU 45 2HG GLU 45 6.116 -1.235 -5.655 245 H ASP 46 H ASP 46 3.205 -3.524 -7.914 246 HA ASP 46 HA ASP 46 0.840 -5.024 -7.189 247 HB2 ASP 46 1HB ASP 46 1.595 -5.029 -9.512 248 HB3 ASP 46 2HB ASP 46 3.136 -5.731 -9.028 249 H SER 47 H SER 47 0.825 -6.033 -5.289 250 HA SER 47 HA SER 47 3.146 -6.595 -3.814 251 HB2 SER 47 1HB SER 47 1.630 -7.735 -2.236 252 HB3 SER 47 2HB SER 47 1.011 -6.166 -2.741 253 HG SER 47 HG SER 47 0.114 -8.741 -3.411 254 H LYS 48 H LYS 48 1.881 -8.391 -6.369 255 HA LYS 48 HA LYS 48 2.779 -10.946 -5.470 256 HB2 LYS 48 1HB LYS 48 1.989 -9.943 -8.207 257 HB3 LYS 48 2HB LYS 48 2.400 -11.609 -7.845 258 HG2 LYS 48 1HG LYS 48 0.070 -11.469 -7.861 259 HG3 LYS 48 2HG LYS 48 0.563 -11.572 -6.179 260 HD2 LYS 48 1HD LYS 48 0.239 -9.227 -5.875 261 HD3 LYS 48 2HD LYS 48 -0.141 -9.020 -7.588 262 HE2 LYS 48 1HE LYS 48 -2.146 -9.066 -6.111 263 HE3 LYS 48 2HE LYS 48 -2.151 -10.308 -7.360 264 HZ1 LYS 48 3HZ LYS 48 -1.334 -10.747 -4.539 265 HZ2 LYS 48 1HZ LYS 48 -1.468 -11.931 -5.742 266 HZ3 LYS 48 2HZ LYS 48 -2.848 -11.140 -5.177 267 H HIS 49 H HIS 49 3.935 -8.382 -7.559 268 HA HIS 49 HA HIS 49 6.609 -9.597 -7.599 269 HB2 HIS 49 1HB HIS 49 4.998 -8.652 -9.960 270 HB3 HIS 49 2HB HIS 49 6.742 -8.797 -10.019 271 HD1 HIS 49 HD1 HIS 49 7.681 -11.074 -10.524 272 HD2 HIS 49 HD2 HIS 49 3.626 -11.177 -9.622 273 HE1 HIS 49 HE1 HIS 49 6.935 -13.420 -11.031 274 HE2 HIS 49 HE2 HIS 49 4.478 -13.464 -10.484 275 H LEU 50 H LEU 50 6.432 -7.714 -5.859 276 HA LEU 50 HA LEU 50 6.564 -5.048 -6.632 277 HB2 LEU 50 1HB LEU 50 7.975 -6.487 -4.394 278 HB3 LEU 50 2HB LEU 50 7.939 -4.757 -4.573 279 HG LEU 50 HG LEU 50 6.330 -5.198 -2.971 280 HD11 LEU 50 1HD1 LEU 50 5.558 -3.690 -4.710 281 HD12 LEU 50 2HD1 LEU 50 4.236 -4.568 -3.943 282 HD13 LEU 50 3HD1 LEU 50 4.807 -5.055 -5.538 283 HD21 LEU 50 3HD2 LEU 50 4.748 -6.917 -2.959 284 HD22 LEU 50 1HD2 LEU 50 6.292 -7.649 -3.392 285 HD23 LEU 50 2HD2 LEU 50 5.087 -7.334 -4.643 286 H ASP 51 H ASP 51 8.299 -3.659 -6.991 287 HA ASP 51 HA ASP 51 10.610 -4.563 -8.347 288 HB2 ASP 51 1HB ASP 51 9.657 -2.224 -8.361 289 HB3 ASP 51 2HB ASP 51 10.319 -2.009 -6.752 290 H LYS 52 H LYS 52 12.821 -4.681 -7.539 291 HA LYS 52 HA LYS 52 13.015 -5.901 -5.004 292 HB2 LYS 52 1HB LYS 52 15.181 -4.743 -6.754 293 HB3 LYS 52 2HB LYS 52 15.477 -5.671 -5.289 294 HG2 LYS 52 1HG LYS 52 14.029 -6.683 -7.731 295 HG3 LYS 52 2HG LYS 52 15.709 -7.019 -7.326 296 HD2 LYS 52 1HD LYS 52 13.329 -7.780 -5.636 297 HD3 LYS 52 2HD LYS 52 14.188 -8.868 -6.722 298 HE2 LYS 52 1HE LYS 52 15.391 -7.455 -4.345 299 HE3 LYS 52 2HE LYS 52 14.879 -9.140 -4.376 300 HZ1 LYS 52 3HZ LYS 52 17.007 -7.960 -6.085 301 HZ2 LYS 52 1HZ LYS 52 16.529 -9.582 -6.076 302 HZ3 LYS 52 2HZ LYS 52 17.263 -8.911 -4.712 303 H GLY 53 H GLY 53 13.317 -2.594 -6.055 304 HA2 GLY 53 1HA GLY 53 14.561 -1.573 -3.712 305 HA3 GLY 53 2HA GLY 53 13.615 -0.646 -4.871 306 H THR 54 H THR 54 11.201 -2.088 -4.624 307 HA THR 54 HA THR 54 10.179 -0.947 -2.195 308 HB THR 54 HB THR 54 8.752 -2.676 -4.228 309 HG1 THR 54 1HG THR 54 9.061 0.154 -4.028 310 HG21 THR 54 3HG2 THR 54 6.710 -1.625 -3.324 311 HG22 THR 54 1HG2 THR 54 7.686 -0.805 -2.105 312 HG23 THR 54 2HG2 THR 54 7.563 -2.567 -2.097 313 H THR 55 H THR 55 10.619 -4.176 -3.540 314 HA THR 55 HA THR 55 9.796 -5.761 -1.426 315 HB THR 55 HB THR 55 12.238 -6.143 -3.173 316 HG1 THR 55 1HG THR 55 10.438 -6.038 -4.470 317 HG21 THR 55 3HG2 THR 55 10.673 -8.155 -1.558 318 HG22 THR 55 1HG2 THR 55 12.311 -7.592 -1.221 319 HG23 THR 55 2HG2 THR 55 11.982 -8.532 -2.679 320 H ALA 56 H ALA 56 12.750 -3.933 -1.857 321 HA ALA 56 HA ALA 56 14.209 -4.768 0.351 322 HB1 ALA 56 3HB ALA 56 15.137 -3.369 -1.398 323 HB2 ALA 56 1HB ALA 56 15.360 -2.608 0.177 324 HB3 ALA 56 2HB ALA 56 14.093 -2.035 -0.911 325 H LEU 57 H LEU 57 11.971 -1.965 0.143 326 HA LEU 57 HA LEU 57 12.206 -1.136 2.810 327 HB2 LEU 57 1HB LEU 57 9.761 -0.969 1.057 328 HB3 LEU 57 2HB LEU 57 9.972 -0.118 2.568 329 HG LEU 57 HG LEU 57 10.680 1.596 1.364 330 HD11 LEU 57 1HD1 LEU 57 13.026 -0.111 0.572 331 HD12 LEU 57 2HD1 LEU 57 12.870 0.720 2.121 332 HD13 LEU 57 3HD1 LEU 57 12.964 1.652 0.623 333 HD21 LEU 57 3HD2 LEU 57 11.289 -0.101 -1.016 334 HD22 LEU 57 1HD2 LEU 57 10.794 1.590 -0.967 335 HD23 LEU 57 2HD2 LEU 57 9.632 0.313 -0.575 336 H LEU 58 H LEU 58 9.935 -3.324 1.278 337 HA LEU 58 HA LEU 58 8.405 -3.982 3.521 338 HB2 LEU 58 1HB LEU 58 9.129 -5.834 1.259 339 HB3 LEU 58 2HB LEU 58 7.699 -5.910 2.271 340 HG LEU 58 HG LEU 58 8.309 -3.693 0.302 341 HD11 LEU 58 1HD1 LEU 58 6.308 -5.945 0.176 342 HD12 LEU 58 2HD1 LEU 58 7.786 -5.823 -0.781 343 HD13 LEU 58 3HD1 LEU 58 6.492 -4.642 -1.003 344 HD21 LEU 58 3HD2 LEU 58 6.998 -2.929 2.215 345 HD22 LEU 58 1HD2 LEU 58 5.850 -4.244 1.965 346 HD23 LEU 58 2HD2 LEU 58 6.022 -2.977 0.747 347 H GLY 59 H GLY 59 11.301 -5.507 2.177 348 HA2 GLY 59 1HA GLY 59 11.642 -7.484 4.117 349 HA3 GLY 59 2HA GLY 59 12.934 -6.772 3.163 350 H LEU 60 H LEU 60 12.619 -4.084 4.135 351 HA LEU 60 HA LEU 60 14.274 -4.106 6.398 352 HB2 LEU 60 1HB LEU 60 12.395 -1.889 5.567 353 HB3 LEU 60 2HB LEU 60 13.806 -1.726 6.595 354 HG LEU 60 HG LEU 60 13.725 -2.247 3.636 355 HD11 LEU 60 1HD1 LEU 60 15.016 -0.098 5.302 356 HD12 LEU 60 2HD1 LEU 60 13.539 0.070 4.354 357 HD13 LEU 60 3HD1 LEU 60 15.077 -0.230 3.545 358 HD21 LEU 60 3HD2 LEU 60 16.135 -2.502 3.703 359 HD22 LEU 60 1HD2 LEU 60 15.345 -3.754 4.666 360 HD23 LEU 60 2HD2 LEU 60 16.115 -2.382 5.463 361 H LEU 61 H LEU 61 10.825 -3.802 6.048 362 HA LEU 61 HA LEU 61 10.417 -3.557 8.924 363 HB2 LEU 61 1HB LEU 61 8.436 -3.647 6.649 364 HB3 LEU 61 2HB LEU 61 8.055 -3.275 8.321 365 HG LEU 61 HG LEU 61 10.124 -1.583 7.041 366 HD11 LEU 61 1HD1 LEU 61 7.205 -1.396 6.332 367 HD12 LEU 61 2HD1 LEU 61 8.531 -1.783 5.233 368 HD13 LEU 61 3HD1 LEU 61 8.430 -0.182 5.965 369 HD21 LEU 61 3HD2 LEU 61 9.381 -1.234 9.352 370 HD22 LEU 61 1HD2 LEU 61 7.732 -0.981 8.778 371 HD23 LEU 61 2HD2 LEU 61 9.008 0.151 8.326 372 H ASN 62 H ASN 62 10.861 -6.000 6.769 373 HA ASN 62 HA ASN 62 10.852 -8.255 6.995 374 HB2 ASN 62 1HB ASN 62 9.888 -7.547 9.744 375 HB3 ASN 62 2HB ASN 62 9.877 -9.220 9.206 376 HD21 ASN 62 2HD2 ASN 62 12.293 -6.870 8.239 377 HD22 ASN 62 1HD2 ASN 62 13.607 -7.595 9.095 378 H ILE 63 H ILE 63 8.687 -6.714 5.842 379 HA ILE 63 HA ILE 63 6.258 -8.164 6.346 380 HB ILE 63 HB ILE 63 7.034 -6.312 4.080 381 HG12 ILE 63 1HG1 ILE 63 5.202 -5.726 6.394 382 HG13 ILE 63 2HG1 ILE 63 6.940 -5.471 6.506 383 HG21 ILE 63 1HG2 ILE 63 4.652 -6.150 3.599 384 HG22 ILE 63 2HG2 ILE 63 4.303 -7.334 4.856 385 HG23 ILE 63 3HG2 ILE 63 5.214 -7.813 3.424 386 HD11 ILE 63 3HD1 ILE 63 6.875 -3.896 4.719 387 HD12 ILE 63 1HD1 ILE 63 5.681 -3.442 5.933 388 HD13 ILE 63 2HD1 ILE 63 5.165 -4.226 4.436 389 H LYS 64 H LYS 64 5.363 -9.770 5.083 390 HA LYS 64 HA LYS 64 7.326 -11.197 3.455 391 HB2 LYS 64 1HB LYS 64 5.739 -13.144 3.691 392 HB3 LYS 64 2HB LYS 64 6.497 -12.602 5.178 393 HG2 LYS 64 1HG LYS 64 3.815 -11.522 4.493 394 HG3 LYS 64 2HG LYS 64 3.935 -13.187 5.048 395 HD2 LYS 64 1HD LYS 64 5.163 -12.371 7.051 396 HD3 LYS 64 2HD LYS 64 4.855 -10.721 6.516 397 HE2 LYS 64 1HE LYS 64 2.812 -12.801 7.275 398 HE3 LYS 64 2HE LYS 64 3.209 -11.330 8.159 399 HZ1 LYS 64 3HZ LYS 64 1.236 -10.887 6.990 400 HZ2 LYS 64 1HZ LYS 64 1.811 -11.567 5.554 401 HZ3 LYS 64 2HZ LYS 64 2.442 -10.101 6.114 402 H ILE 65 H ILE 65 7.204 -11.087 1.374 403 HA ILE 65 HA ILE 65 5.129 -9.625 0.087 404 HB ILE 65 HB ILE 65 7.583 -11.039 -0.939 405 HG12 ILE 65 1HG1 ILE 65 8.243 -8.725 -1.583 406 HG13 ILE 65 2HG1 ILE 65 6.764 -8.130 -0.845 407 HG21 ILE 65 1HG2 ILE 65 5.767 -11.226 -2.610 408 HG22 ILE 65 2HG2 ILE 65 7.124 -10.243 -3.158 409 HG23 ILE 65 3HG2 ILE 65 5.642 -9.465 -2.607 410 HD11 ILE 65 3HD1 ILE 65 8.711 -7.791 0.592 411 HD12 ILE 65 1HD1 ILE 65 9.010 -9.530 0.599 412 HD13 ILE 65 2HD1 ILE 65 7.543 -8.886 1.337 413 H GLY 66 H GLY 66 6.060 -13.016 0.250 414 HA2 GLY 66 1HA GLY 66 4.327 -13.936 -1.796 415 HA3 GLY 66 2HA GLY 66 5.073 -14.927 -0.555 416 H ASP 67 H ASP 67 3.615 -12.781 1.280 417 HA ASP 67 HA ASP 67 1.134 -14.364 1.424 418 HB2 ASP 67 1HB ASP 67 2.633 -14.688 3.336 419 HB3 ASP 67 2HB ASP 67 2.656 -12.955 3.622 420 H LEU 68 H LEU 68 2.182 -11.494 0.346 421 HA LEU 68 HA LEU 68 0.294 -9.693 1.480 422 HB2 LEU 68 1HB LEU 68 1.866 -9.582 -1.089 423 HB3 LEU 68 2HB LEU 68 0.862 -8.271 -0.495 424 HG LEU 68 HG LEU 68 3.260 -9.401 0.949 425 HD11 LEU 68 1HD1 LEU 68 3.886 -8.208 -1.088 426 HD12 LEU 68 2HD1 LEU 68 4.358 -7.312 0.355 427 HD13 LEU 68 3HD1 LEU 68 2.940 -6.815 -0.566 428 HD21 LEU 68 3HD2 LEU 68 2.979 -7.376 2.356 429 HD22 LEU 68 1HD2 LEU 68 1.656 -8.533 2.502 430 HD23 LEU 68 2HD2 LEU 68 1.442 -7.072 1.541 431 H LYS 69 H LYS 69 -1.370 -8.573 0.076 432 HA LYS 69 HA LYS 69 -2.951 -10.716 -1.160 433 HB2 LYS 69 1HB LYS 69 -3.701 -8.368 0.516 434 HB3 LYS 69 2HB LYS 69 -4.865 -8.974 -0.650 435 HG2 LYS 69 1HG LYS 69 -5.269 -9.944 1.522 436 HG3 LYS 69 2HG LYS 69 -4.748 -11.190 0.391 437 HD2 LYS 69 1HD LYS 69 -2.470 -11.039 1.320 438 HD3 LYS 69 2HD LYS 69 -3.040 -9.840 2.480 439 HE2 LYS 69 1HE LYS 69 -4.018 -12.685 2.250 440 HE3 LYS 69 2HE LYS 69 -2.912 -12.072 3.476 441 HZ1 LYS 69 3HZ LYS 69 -4.679 -10.564 4.217 442 HZ2 LYS 69 1HZ LYS 69 -5.126 -12.188 4.358 443 HZ3 LYS 69 2HZ LYS 69 -5.738 -11.251 3.091 444 H ASP 70 H ASP 70 -3.648 -7.266 -1.449 445 HA ASP 70 HA ASP 70 -4.035 -7.759 -4.292 446 HB2 ASP 70 1HB ASP 70 -5.018 -5.678 -2.383 447 HB3 ASP 70 2HB ASP 70 -5.089 -5.382 -4.116 448 H LEU 71 H LEU 71 -3.256 -4.628 -2.919 449 HA LEU 71 HA LEU 71 -0.797 -4.563 -4.542 450 HB2 LEU 71 1HB LEU 71 -2.812 -2.393 -4.023 451 HB3 LEU 71 2HB LEU 71 -1.184 -2.046 -4.548 452 HG LEU 71 HG LEU 71 -2.210 -1.968 -6.546 453 HD11 LEU 71 1HD1 LEU 71 -2.001 -4.054 -7.793 454 HD12 LEU 71 2HD1 LEU 71 -1.813 -4.930 -6.271 455 HD13 LEU 71 3HD1 LEU 71 -0.603 -3.743 -6.762 456 HD21 LEU 71 3HD2 LEU 71 -4.245 -3.055 -7.162 457 HD22 LEU 71 1HD2 LEU 71 -4.439 -2.378 -5.546 458 HD23 LEU 71 2HD2 LEU 71 -4.165 -4.110 -5.751 459 H VAL 72 H VAL 72 0.801 -3.056 -3.810 460 HA VAL 72 HA VAL 72 0.575 -2.267 -0.981 461 HB VAL 72 HB VAL 72 2.687 -2.848 -0.502 462 HG11 VAL 72 1HG1 VAL 72 2.040 -4.897 -1.474 463 HG12 VAL 72 2HG1 VAL 72 3.724 -4.616 -1.918 464 HG13 VAL 72 3HG1 VAL 72 2.439 -4.335 -3.093 465 HG21 VAL 72 3HG2 VAL 72 3.803 -1.067 -1.539 466 HG22 VAL 72 1HG2 VAL 72 3.496 -1.709 -3.162 467 HG23 VAL 72 2HG2 VAL 72 4.639 -2.523 -2.094 468 H GLY 73 H GLY 73 2.053 -0.170 -0.712 469 HA2 GLY 73 1HA GLY 73 1.841 1.485 -3.101 470 HA3 GLY 73 2HA GLY 73 0.962 2.003 -1.669 471 H LEU 74 H LEU 74 3.230 3.252 -3.126 472 HA LEU 74 HA LEU 74 5.001 3.392 -0.801 473 HB2 LEU 74 1HB LEU 74 6.830 4.115 -2.162 474 HB3 LEU 74 2HB LEU 74 6.198 2.620 -2.793 475 HG LEU 74 HG LEU 74 6.848 3.930 -4.635 476 HD11 LEU 74 1HD1 LEU 74 4.832 4.249 -5.910 477 HD12 LEU 74 2HD1 LEU 74 3.867 4.211 -4.434 478 HD13 LEU 74 3HD1 LEU 74 4.742 2.767 -4.953 479 HD21 LEU 74 3HD2 LEU 74 6.019 6.203 -5.075 480 HD22 LEU 74 1HD2 LEU 74 7.022 6.099 -3.628 481 HD23 LEU 74 2HD2 LEU 74 5.269 6.215 -3.478 482 H ASN 75 H ASN 75 5.212 5.176 0.258 483 HA ASN 75 HA ASN 75 4.810 7.255 1.056 484 HB2 ASN 75 1HB ASN 75 4.877 8.099 -1.850 485 HB3 ASN 75 2HB ASN 75 5.134 9.119 -0.442 486 HD21 ASN 75 2HD2 ASN 75 6.745 7.205 0.984 487 HD22 ASN 75 1HD2 ASN 75 8.278 7.164 0.192 488 H CYS 76 H CYS 76 2.578 5.790 0.981 489 HA CYS 76 HA CYS 76 0.453 7.155 -0.420 490 HB2 CYS 76 2HB CYS 76 0.327 4.930 1.624 491 HB3 CYS 76 1HB CYS 76 -1.006 5.484 0.616 492 H SER 77 H SER 77 -1.039 8.471 0.415 493 HA SER 77 HA SER 77 -0.529 9.537 3.101 494 HB2 SER 77 1HB SER 77 -2.115 10.743 0.826 495 HB3 SER 77 2HB SER 77 -1.667 11.542 2.331 496 HG SER 77 HG SER 77 -0.322 11.667 0.178 497 HA PRO 78 HA PRO 78 -4.447 7.672 4.244 498 HB2 PRO 78 2HB PRO 78 -4.177 8.942 6.830 499 HB3 PRO 78 1HB PRO 78 -4.032 7.232 6.426 500 HG2 PRO 78 2HG PRO 78 -1.933 8.783 7.232 501 HG3 PRO 78 1HG PRO 78 -1.760 7.346 6.209 502 HD2 PRO 78 2HD PRO 78 -1.755 10.237 5.437 503 HD3 PRO 78 1HD PRO 78 -0.767 8.896 4.818 504 H LEU 79 H LEU 79 -6.353 8.427 3.775 505 HA LEU 79 HA LEU 79 -6.901 11.300 3.993 506 HB2 LEU 79 1HB LEU 79 -8.635 9.229 2.671 507 HB3 LEU 79 2HB LEU 79 -8.547 10.950 2.340 508 HG LEU 79 HG LEU 79 -6.284 9.048 1.751 509 HD11 LEU 79 1HD1 LEU 79 -7.008 9.108 -0.572 510 HD12 LEU 79 2HD1 LEU 79 -8.447 10.016 -0.103 511 HD13 LEU 79 3HD1 LEU 79 -8.216 8.363 0.469 512 HD21 LEU 79 3HD2 LEU 79 -5.566 11.323 1.930 513 HD22 LEU 79 1HD2 LEU 79 -6.889 11.870 0.895 514 HD23 LEU 79 2HD2 LEU 79 -5.598 10.877 0.223 515 H SER 80 H SER 80 -7.353 11.410 6.219 516 HA SER 80 HA SER 80 -9.161 9.588 7.490 517 HB2 SER 80 1HB SER 80 -8.065 12.248 8.442 518 HB3 SER 80 2HB SER 80 -8.895 11.059 9.446 519 HG SER 80 HG SER 80 -7.165 9.829 9.459 520 H VAL 81 H VAL 81 -9.472 12.597 5.803 521 HA VAL 81 HA VAL 81 -12.271 12.776 6.685 522 HB VAL 81 HB VAL 81 -12.092 15.232 6.034 523 HG11 VAL 81 1HG1 VAL 81 -10.537 14.186 8.397 524 HG12 VAL 81 2HG1 VAL 81 -12.272 14.507 8.337 525 HG13 VAL 81 3HG1 VAL 81 -11.123 15.840 8.219 526 HG21 VAL 81 3HG2 VAL 81 -9.982 15.125 4.809 527 HG22 VAL 81 1HG2 VAL 81 -9.145 14.614 6.274 528 HG23 VAL 81 2HG2 VAL 81 -9.850 16.227 6.179 529 H ILE 82 H ILE 82 -13.415 11.852 5.139 530 HA ILE 82 HA ILE 82 -13.071 12.874 2.409 531 HB ILE 82 HB ILE 82 -14.198 10.219 3.249 532 HG12 ILE 82 1HG1 ILE 82 -11.634 11.140 1.995 533 HG13 ILE 82 2HG1 ILE 82 -11.864 10.043 3.348 534 HG21 ILE 82 1HG2 ILE 82 -13.880 11.360 0.474 535 HG22 ILE 82 2HG2 ILE 82 -15.408 11.257 1.351 536 HG23 ILE 82 3HG2 ILE 82 -14.548 9.781 0.896 537 HD11 ILE 82 3HD1 ILE 82 -11.075 8.855 1.406 538 HD12 ILE 82 1HD1 ILE 82 -12.438 9.453 0.463 539 HD13 ILE 82 2HD1 ILE 82 -12.716 8.345 1.808 540 H GLY 83 H GLY 83 -14.658 14.047 1.636 541 HA2 GLY 83 1HA GLY 83 -17.406 13.515 2.088 542 HA3 GLY 83 2HA GLY 83 -16.876 14.886 3.048 543 H VAL 84 H VAL 84 -14.985 15.952 1.322 544 HA VAL 84 HA VAL 84 -16.574 17.228 -0.692 545 HB VAL 84 HB VAL 84 -13.568 17.256 -0.314 546 HG11 VAL 84 1HG1 VAL 84 -13.619 19.310 -1.637 547 HG12 VAL 84 2HG1 VAL 84 -15.356 19.117 -1.876 548 HG13 VAL 84 3HG1 VAL 84 -14.236 17.938 -2.557 549 HG21 VAL 84 3HG2 VAL 84 -13.931 19.414 0.804 550 HG22 VAL 84 1HG2 VAL 84 -14.706 18.083 1.664 551 HG23 VAL 84 2HG2 VAL 84 -15.674 19.176 0.674 552 H GLY 85 H GLY 85 -14.042 14.786 -0.601 553 HA2 GLY 85 1HA GLY 85 -14.793 13.030 -2.431 554 HA3 GLY 85 2HA GLY 85 -14.237 14.336 -3.470 555 H GLY 86 H GLY 86 -12.451 13.340 -4.322 556 HA2 GLY 86 1HA GLY 86 -10.484 12.220 -2.457 557 HA3 GLY 86 2HA GLY 86 -10.475 12.033 -4.207 558 H ASN 87 H ASN 87 -11.009 15.146 -2.771 559 HA ASN 87 HA ASN 87 -8.874 16.309 -4.232 560 HB2 ASN 87 1HB ASN 87 -9.482 18.398 -3.105 561 HB3 ASN 87 2HB ASN 87 -10.907 17.570 -3.712 562 HD21 ASN 87 2HD2 ASN 87 -10.625 19.566 -1.605 563 HD22 ASN 87 1HD2 ASN 87 -11.286 18.850 -0.176 564 H SER 88 H SER 88 -9.143 15.033 -1.019 565 HA SER 88 HA SER 88 -6.726 16.202 -0.033 566 HB2 SER 88 1HB SER 88 -7.005 14.314 1.706 567 HB3 SER 88 2HB SER 88 -8.266 15.546 1.628 568 HG SER 88 HG SER 88 -9.246 13.537 1.659 569 H CYS 89 H CYS 89 -7.436 13.776 -2.230 570 HA CYS 89 HA CYS 89 -4.871 12.419 -1.828 571 HB2 CYS 89 2HB CYS 89 -6.649 10.851 -1.822 572 HB3 CYS 89 1HB CYS 89 -7.416 11.590 -3.214 573 H SER 90 H SER 90 -6.860 13.026 -4.733 574 HA SER 90 HA SER 90 -6.332 13.741 -6.813 575 HB2 SER 90 1HB SER 90 -5.744 15.823 -5.512 576 HB3 SER 90 2HB SER 90 -4.066 15.281 -5.529 577 HG SER 90 HG SER 90 -4.208 15.282 -7.841 578 H ALA 91 H ALA 91 -5.121 11.354 -5.690 579 HA ALA 91 HA ALA 91 -3.228 10.897 -7.854 580 HB1 ALA 91 3HB ALA 91 -2.628 10.150 -4.989 581 HB2 ALA 91 1HB ALA 91 -1.799 11.393 -5.925 582 HB3 ALA 91 2HB ALA 91 -1.664 9.699 -6.396 583 H GLN 92 H GLN 92 -2.661 8.158 -6.885 584 HA GLN 92 HA GLN 92 -5.163 7.041 -7.760 585 HB2 GLN 92 1HB GLN 92 -3.622 5.763 -8.779 586 HB3 GLN 92 2HB GLN 92 -2.368 6.196 -7.627 587 HG2 GLN 92 1HG GLN 92 -2.900 4.490 -6.204 588 HG3 GLN 92 2HG GLN 92 -4.509 4.264 -6.876 589 HE21 GLN 92 2HE2 GLN 92 -1.617 4.645 -8.799 590 HE22 GLN 92 1HE2 GLN 92 -1.607 3.039 -9.442 591 H THR 93 H THR 93 -6.709 6.456 -6.437 592 HA THR 93 HA THR 93 -6.126 6.502 -3.579 593 HB THR 93 HB THR 93 -8.904 6.601 -4.685 594 HG1 THR 93 1HG THR 93 -6.878 8.541 -4.967 595 HG21 THR 93 3HG2 THR 93 -7.517 8.008 -2.396 596 HG22 THR 93 1HG2 THR 93 -8.520 6.564 -2.252 597 HG23 THR 93 2HG2 THR 93 -9.238 8.089 -2.770 598 H VAL 94 H VAL 94 -6.204 4.715 -2.459 599 HA VAL 94 HA VAL 94 -7.773 2.442 -3.443 600 HB VAL 94 HB VAL 94 -5.888 0.939 -2.669 601 HG11 VAL 94 1HG1 VAL 94 -6.316 1.170 -5.006 602 HG12 VAL 94 2HG1 VAL 94 -4.578 1.245 -4.765 603 HG13 VAL 94 3HG1 VAL 94 -5.489 2.724 -5.062 604 HG21 VAL 94 3HG2 VAL 94 -4.655 2.591 -1.376 605 HG22 VAL 94 1HG2 VAL 94 -4.327 3.511 -2.844 606 HG23 VAL 94 2HG2 VAL 94 -3.638 1.899 -2.641 607 H CYS 95 H CYS 95 -8.103 0.782 -1.811 608 HA CYS 95 HA CYS 95 -8.227 1.921 0.900 609 HB2 CYS 95 2HB CYS 95 -10.421 1.289 -0.114 610 HB3 CYS 95 1HB CYS 95 -9.846 -0.370 -0.249 611 H CYS 96 H CYS 96 -6.742 1.160 2.227 612 HA CYS 96 HA CYS 96 -5.477 -1.421 1.579 613 HB2 CYS 96 2HB CYS 96 -4.199 0.942 2.957 614 HB3 CYS 96 1HB CYS 96 -3.395 -0.506 2.352 615 H THR 97 H THR 97 -4.813 -2.744 3.298 616 HA THR 97 HA THR 97 -6.740 -2.641 5.442 617 HB THR 97 HB THR 97 -6.233 -4.779 4.347 618 HG1 THR 97 1HG THR 97 -6.912 -4.776 6.561 619 HG21 THR 97 3HG2 THR 97 -4.120 -5.926 4.711 620 HG22 THR 97 1HG2 THR 97 -3.504 -4.544 5.615 621 HG23 THR 97 2HG2 THR 97 -3.846 -4.388 3.894 622 H ASN 98 H ASN 98 -3.325 -2.064 5.036 623 HA ASN 98 HA ASN 98 -3.177 -0.889 7.679 624 HB2 ASN 98 1HB ASN 98 -1.552 -3.322 6.933 625 HB3 ASN 98 2HB ASN 98 -1.040 -2.205 8.187 626 HD21 ASN 98 2HD2 ASN 98 -2.381 -1.977 10.053 627 HD22 ASN 98 1HD2 ASN 98 -3.416 -3.273 10.545 628 H THR 99 H THR 99 -1.086 0.212 8.018 629 HA THR 99 HA THR 99 0.383 0.743 5.540 630 HB THR 99 HB THR 99 -1.240 2.566 5.781 631 HG1 THR 99 1HG THR 99 0.746 3.132 4.902 632 HG21 THR 99 3HG2 THR 99 0.091 3.092 8.440 633 HG22 THR 99 1HG2 THR 99 -1.561 2.522 8.200 634 HG23 THR 99 2HG2 THR 99 -1.098 4.137 7.663 635 H TYR 100 H TYR 100 2.551 1.172 5.814 636 HA TYR 100 HA TYR 100 3.533 1.209 8.594 637 HB2 TYR 100 2HB TYR 100 4.853 -0.345 6.353 638 HB3 TYR 100 1HB TYR 100 5.372 -0.270 8.028 639 HD1 TYR 100 2HD TYR 100 4.098 -1.440 9.776 640 HD2 TYR 100 1HD TYR 100 3.063 -1.793 5.666 641 HE1 TYR 100 2HE TYR 100 2.744 -3.425 10.294 642 HE2 TYR 100 1HE TYR 100 1.703 -3.777 6.174 643 HH TYR 100 HH TYR 100 1.552 -5.511 7.875 644 H GLN 101 H GLN 101 5.553 2.299 8.876 645 HA GLN 101 HA GLN 101 7.065 3.960 8.503 646 HB2 GLN 101 1HB GLN 101 6.691 2.871 5.736 647 HB3 GLN 101 2HB GLN 101 7.698 4.284 6.004 648 HG2 GLN 101 1HG GLN 101 8.132 1.751 7.531 649 HG3 GLN 101 2HG GLN 101 8.823 2.006 5.929 650 HE21 GLN 101 2HE2 GLN 101 10.366 3.557 5.627 651 HE22 GLN 101 1HE2 GLN 101 11.210 4.306 6.923 652 H HIS 102 H HIS 102 4.207 4.507 8.581 653 HA HIS 102 HA HIS 102 2.811 6.279 8.470 654 HB2 HIS 102 1HB HIS 102 5.330 7.701 7.630 655 HB3 HIS 102 2HB HIS 102 3.786 8.529 7.793 656 HD1 HIS 102 HD1 HIS 102 3.081 9.211 10.116 657 HD2 HIS 102 HD2 HIS 102 6.367 6.668 10.103 658 HE1 HIS 102 HE1 HIS 102 3.916 9.179 12.483 659 HE2 HIS 102 HE2 HIS 102 5.906 7.631 12.458 660 H GLY 103 H GLY 103 3.978 4.788 5.817 661 HA2 GLY 103 1HA GLY 103 2.010 4.818 4.151 662 HA3 GLY 103 2HA GLY 103 2.480 6.497 3.957 663 H LEU 104 H LEU 104 5.374 5.440 4.406 664 HA LEU 104 HA LEU 104 6.259 5.515 1.803 665 HB2 LEU 104 1HB LEU 104 7.579 3.838 3.929 666 HB3 LEU 104 2HB LEU 104 8.339 4.569 2.533 667 HG LEU 104 HG LEU 104 7.340 5.949 5.017 668 HD11 LEU 104 1HD1 LEU 104 9.539 4.940 5.156 669 HD12 LEU 104 2HD1 LEU 104 9.644 6.699 5.176 670 HD13 LEU 104 3HD1 LEU 104 10.041 5.810 3.707 671 HD21 LEU 104 3HD2 LEU 104 8.297 7.204 2.459 672 HD22 LEU 104 1HD2 LEU 104 8.049 8.047 3.988 673 HD23 LEU 104 2HD2 LEU 104 6.674 7.323 3.149 674 H VAL 105 H VAL 105 5.291 2.698 3.675 675 HA VAL 105 HA VAL 105 4.828 1.266 1.129 676 HB VAL 105 HB VAL 105 5.188 -0.861 2.472 677 HG11 VAL 105 1HG1 VAL 105 6.787 -0.054 0.792 678 HG12 VAL 105 2HG1 VAL 105 7.610 -0.835 2.141 679 HG13 VAL 105 3HG1 VAL 105 7.586 0.925 2.023 680 HG21 VAL 105 3HG2 VAL 105 5.119 0.311 4.668 681 HG22 VAL 105 1HG2 VAL 105 6.712 0.967 4.309 682 HG23 VAL 105 2HG2 VAL 105 6.491 -0.777 4.462 683 H ASN 106 H ASN 106 2.985 -0.063 1.140 684 HA ASN 106 HA ASN 106 1.099 0.279 3.345 685 HB2 ASN 106 1HB ASN 106 1.108 2.070 1.300 686 HB3 ASN 106 2HB ASN 106 0.012 0.855 0.648 687 HD21 ASN 106 2HD2 ASN 106 -1.588 2.507 0.759 688 HD22 ASN 106 1HD2 ASN 106 -2.389 2.831 2.255 689 H VAL 107 H VAL 107 -0.668 -1.311 3.229 690 HA VAL 107 HA VAL 107 -0.081 -3.473 1.310 691 HB VAL 107 HB VAL 107 -0.563 -5.124 3.150 692 HG11 VAL 107 1HG1 VAL 107 1.694 -4.776 2.312 693 HG12 VAL 107 2HG1 VAL 107 1.729 -5.031 4.056 694 HG13 VAL 107 3HG1 VAL 107 1.908 -3.405 3.399 695 HG21 VAL 107 3HG2 VAL 107 -1.586 -3.585 4.738 696 HG22 VAL 107 1HG2 VAL 107 -0.053 -2.731 4.911 697 HG23 VAL 107 2HG2 VAL 107 -0.196 -4.403 5.452 698 H GLY 108 H GLY 108 -1.706 -4.876 0.780 699 HA2 GLY 108 1HA GLY 108 -3.838 -5.598 0.375 700 HA3 GLY 108 2HA GLY 108 -4.240 -5.012 1.982 701 H CYS 109 H CYS 109 -3.239 -3.415 -1.032 702 HA CYS 109 HA CYS 109 -5.311 -1.417 -0.522 703 HB2 CYS 109 2HB CYS 109 -2.946 -1.417 -2.401 704 HB3 CYS 109 1HB CYS 109 -4.093 -0.096 -2.255 705 H THR 110 H THR 110 -7.150 -1.415 -1.637 706 HA THR 110 HA THR 110 -7.155 -2.620 -4.324 707 HB THR 110 HB THR 110 -9.647 -2.873 -3.967 708 HG1 THR 110 1HG THR 110 -9.293 -2.974 -1.223 709 HG21 THR 110 3HG2 THR 110 -7.820 -4.447 -2.150 710 HG22 THR 110 1HG2 THR 110 -8.096 -4.765 -3.862 711 HG23 THR 110 2HG2 THR 110 -9.414 -4.953 -2.710 712 HA PRO 111 HA PRO 111 -7.916 1.455 -5.831 713 HB2 PRO 111 2HB PRO 111 -9.234 0.157 -8.124 714 HB3 PRO 111 1HB PRO 111 -7.788 1.167 -8.094 715 HG2 PRO 111 2HG PRO 111 -7.578 -1.441 -8.531 716 HG3 PRO 111 1HG PRO 111 -6.416 -0.618 -7.472 717 HD2 PRO 111 2HD PRO 111 -8.855 -2.206 -6.706 718 HD3 PRO 111 1HD PRO 111 -7.198 -2.347 -6.094 719 H ILE 112 H ILE 112 -9.420 2.624 -4.818 720 HA ILE 112 HA ILE 112 -12.223 1.813 -4.978 721 HB ILE 112 HB ILE 112 -11.601 2.268 -2.744 722 HG12 ILE 112 1HG1 ILE 112 -12.949 4.781 -3.740 723 HG13 ILE 112 2HG1 ILE 112 -13.768 3.253 -3.467 724 HG21 ILE 112 1HG2 ILE 112 -10.442 4.880 -3.692 725 HG22 ILE 112 2HG2 ILE 112 -9.536 3.470 -3.142 726 HG23 ILE 112 3HG2 ILE 112 -10.556 4.360 -2.012 727 HD11 ILE 112 3HD1 ILE 112 -12.344 4.855 -1.359 728 HD12 ILE 112 1HD1 ILE 112 -13.257 3.365 -1.109 729 HD13 ILE 112 2HD1 ILE 112 -14.087 4.834 -1.629 730 H ASN 113 H ASN 113 -13.646 2.794 -6.232 731 HA ASN 113 HA ASN 113 -12.843 5.292 -7.552 732 HB2 ASN 113 1HB ASN 113 -14.442 4.647 -9.351 733 HB3 ASN 113 2HB ASN 113 -13.118 3.510 -9.156 734 HD21 ASN 113 2HD2 ASN 113 -15.842 3.241 -10.293 735 HD22 ASN 113 1HD2 ASN 113 -16.541 1.892 -9.469 736 H ILE 114 H ILE 114 -13.674 6.898 -6.371 737 HA ILE 114 HA ILE 114 -16.413 6.709 -5.368 738 HB ILE 114 HB ILE 114 -15.920 8.724 -4.087 739 HG12 ILE 114 1HG1 ILE 114 -13.281 9.222 -4.114 740 HG13 ILE 114 2HG1 ILE 114 -13.488 8.731 -5.788 741 HG21 ILE 114 1HG2 ILE 114 -13.800 6.606 -3.816 742 HG22 ILE 114 2HG2 ILE 114 -15.410 6.574 -3.096 743 HG23 ILE 114 3HG2 ILE 114 -14.235 7.785 -2.579 744 HD11 ILE 114 3HD1 ILE 114 -14.959 10.945 -4.388 745 HD12 ILE 114 1HD1 ILE 114 -15.233 10.423 -6.050 746 HD13 ILE 114 2HD1 ILE 114 -13.679 11.124 -5.590 747 H GLY 115 H GLY 115 -15.161 7.475 -8.188 748 HA2 GLY 115 1HA GLY 115 -16.734 8.662 -9.735 749 HA3 GLY 115 2HA GLY 115 -16.718 9.958 -8.544 750 H LEU 116 H LEU 116 -13.749 9.010 -8.225 751 HA LEU 116 HA LEU 116 -12.551 11.001 -9.818 752 HB2 LEU 116 1HB LEU 116 -11.257 8.580 -8.556 753 HB3 LEU 116 2HB LEU 116 -10.420 10.011 -9.121 754 HG LEU 116 HG LEU 116 -12.488 10.219 -6.956 755 HD11 LEU 116 1HD1 LEU 116 -10.707 9.952 -5.303 756 HD12 LEU 116 2HD1 LEU 116 -9.577 9.531 -6.590 757 HD13 LEU 116 3HD1 LEU 116 -10.945 8.477 -6.240 758 HD21 LEU 116 3HD2 LEU 116 -11.809 12.342 -7.744 759 HD22 LEU 116 1HD2 LEU 116 -10.116 11.851 -7.831 760 HD23 LEU 116 2HD2 LEU 116 -10.892 12.073 -6.268 Start of MODEL 5 1 H1 LYS 10 1H LYS 10 -10.843 -16.070 10.307 2 H2 LYS 10 2H LYS 10 -11.155 -17.121 9.022 3 H3 LYS 10 3H LYS 10 -10.655 -17.736 10.514 4 HA LYS 10 HA LYS 10 -13.021 -18.061 10.165 5 HB2 LYS 10 1HB LYS 10 -12.445 -15.986 12.288 6 HB3 LYS 10 2HB LYS 10 -13.796 -17.110 12.272 7 HG2 LYS 10 1HG LYS 10 -12.192 -18.982 12.440 8 HG3 LYS 10 2HG LYS 10 -10.883 -17.806 12.566 9 HD2 LYS 10 1HD LYS 10 -13.199 -18.129 14.474 10 HD3 LYS 10 2HD LYS 10 -11.521 -18.584 14.772 11 HE2 LYS 10 1HE LYS 10 -10.880 -16.206 14.512 12 HE3 LYS 10 2HE LYS 10 -12.584 -15.794 14.337 13 HZ1 LYS 10 3HZ LYS 10 -11.303 -17.006 16.724 14 HZ2 LYS 10 1HZ LYS 10 -12.963 -16.720 16.559 15 HZ3 LYS 10 2HZ LYS 10 -11.880 -15.424 16.586 16 H ALA 11 H ALA 11 -14.351 -17.340 8.634 17 HA ALA 11 HA ALA 11 -15.396 -14.648 8.830 18 HB1 ALA 11 3HB ALA 11 -14.925 -14.036 6.521 19 HB2 ALA 11 1HB ALA 11 -14.053 -15.550 6.281 20 HB3 ALA 11 2HB ALA 11 -13.424 -14.336 7.393 21 H MET 12 H MET 12 -16.865 -16.673 9.451 22 HA MET 12 HA MET 12 -18.252 -17.664 7.082 23 HB2 MET 12 1HB MET 12 -17.624 -19.266 8.866 24 HB3 MET 12 2HB MET 12 -18.654 -18.394 9.989 25 HG2 MET 12 1HG MET 12 -20.613 -18.976 8.732 26 HG3 MET 12 2HG MET 12 -19.631 -19.715 7.470 27 HE1 MET 12 3HE MET 12 -18.207 -22.882 9.200 28 HE2 MET 12 1HE MET 12 -17.421 -21.308 9.090 29 HE3 MET 12 2HE MET 12 -18.321 -21.943 7.712 30 H ALA 13 H ALA 13 -18.921 -15.359 6.744 31 HA ALA 13 HA ALA 13 -21.136 -14.452 8.380 32 HB1 ALA 13 3HB ALA 13 -19.596 -12.825 7.374 33 HB2 ALA 13 1HB ALA 13 -21.250 -12.580 6.816 34 HB3 ALA 13 2HB ALA 13 -20.073 -13.371 5.768 35 H ASP 14 H ASP 14 -20.656 -16.666 5.978 36 HA ASP 14 HA ASP 14 -23.005 -16.373 4.417 37 HB2 ASP 14 1HB ASP 14 -21.339 -18.854 4.911 38 HB3 ASP 14 2HB ASP 14 -22.521 -18.642 3.624 39 H ILE 15 H ILE 15 -25.014 -16.891 4.888 40 HA ILE 15 HA ILE 15 -25.513 -18.797 7.076 41 HB ILE 15 HB ILE 15 -27.611 -17.618 7.581 42 HG12 ILE 15 1HG1 ILE 15 -27.761 -16.535 5.260 43 HG13 ILE 15 2HG1 ILE 15 -28.248 -15.556 6.634 44 HG21 ILE 15 1HG2 ILE 15 -26.617 -15.675 8.711 45 HG22 ILE 15 2HG2 ILE 15 -25.147 -15.898 7.764 46 HG23 ILE 15 3HG2 ILE 15 -25.655 -17.140 8.909 47 HD11 ILE 15 3HD1 ILE 15 -26.121 -14.384 6.569 48 HD12 ILE 15 1HD1 ILE 15 -26.948 -14.282 5.016 49 HD13 ILE 15 2HD1 ILE 15 -25.595 -15.392 5.222 50 H GLY 16 H GLY 16 -25.398 -18.684 3.973 51 HA2 GLY 16 1HA GLY 16 -27.393 -20.705 3.584 52 HA3 GLY 16 2HA GLY 16 -27.779 -19.198 2.761 53 H SER 17 H SER 17 -27.590 -20.389 0.764 54 HA SER 17 HA SER 17 -24.786 -20.859 0.002 55 HB2 SER 17 1HB SER 17 -26.163 -22.930 0.059 56 HB3 SER 17 2HB SER 17 -27.243 -22.216 -1.135 57 HG SER 17 HG SER 17 -24.469 -22.449 -1.617 58 H THR 18 H THR 18 -27.974 -20.066 -1.409 59 HA THR 18 HA THR 18 -26.683 -18.818 -3.675 60 HB THR 18 HB THR 18 -29.182 -18.317 -4.238 61 HG1 THR 18 1HG THR 18 -30.602 -19.746 -3.166 62 HG21 THR 18 3HG2 THR 18 -29.441 -20.590 -5.149 63 HG22 THR 18 1HG2 THR 18 -28.090 -21.131 -4.151 64 HG23 THR 18 2HG2 THR 18 -27.822 -19.950 -5.433 65 H ALA 19 H ALA 19 -28.650 -17.808 -0.910 66 HA ALA 19 HA ALA 19 -28.679 -15.056 -1.785 67 HB1 ALA 19 3HB ALA 19 -29.970 -14.627 0.215 68 HB2 ALA 19 1HB ALA 19 -29.610 -16.239 0.824 69 HB3 ALA 19 2HB ALA 19 -30.604 -16.044 -0.617 70 H VAL 20 H VAL 20 -27.423 -13.428 -1.090 71 HA VAL 20 HA VAL 20 -25.231 -14.124 0.740 72 HB VAL 20 HB VAL 20 -24.049 -12.159 -0.197 73 HG11 VAL 20 1HG1 VAL 20 -25.011 -14.154 -2.238 74 HG12 VAL 20 2HG1 VAL 20 -23.633 -14.339 -1.155 75 HG13 VAL 20 3HG1 VAL 20 -23.602 -13.113 -2.421 76 HG21 VAL 20 3HG2 VAL 20 -24.891 -11.043 -2.192 77 HG22 VAL 20 1HG2 VAL 20 -26.003 -10.828 -0.840 78 HG23 VAL 20 2HG2 VAL 20 -26.373 -11.993 -2.112 79 HA PRO 21 HA PRO 21 -26.959 -11.519 3.862 80 HB2 PRO 21 2HB PRO 21 -24.677 -10.927 5.233 81 HB3 PRO 21 1HB PRO 21 -25.500 -12.487 5.346 82 HG2 PRO 21 2HG PRO 21 -23.108 -11.716 3.719 83 HG3 PRO 21 1HG PRO 21 -23.396 -13.193 4.658 84 HD2 PRO 21 2HD PRO 21 -23.689 -13.114 1.978 85 HD3 PRO 21 1HD PRO 21 -24.710 -14.136 3.010 86 H ARG 22 H ARG 22 -24.389 -10.464 1.792 87 HA ARG 22 HA ARG 22 -25.416 -7.747 1.900 88 HB2 ARG 22 1HB ARG 22 -23.549 -7.888 3.569 89 HB3 ARG 22 2HB ARG 22 -22.468 -8.351 2.265 90 HG2 ARG 22 1HG ARG 22 -23.995 -5.782 2.128 91 HG3 ARG 22 2HG ARG 22 -22.508 -5.900 3.069 92 HD2 ARG 22 1HD ARG 22 -21.313 -6.653 1.065 93 HD3 ARG 22 2HD ARG 22 -22.799 -6.517 0.129 94 HE ARG 22 HE ARG 22 -22.320 -4.048 1.336 95 HH11 ARG 22 1HH1 ARG 22 -20.885 -6.126 -1.087 96 HH12 ARG 22 2HH1 ARG 22 -20.161 -4.819 -1.966 97 HH21 ARG 22 1HH2 ARG 22 -21.362 -2.316 0.174 98 HH22 ARG 22 2HH2 ARG 22 -20.430 -2.656 -1.249 99 H ASP 23 H ASP 23 -26.033 -7.592 -0.155 100 HA ASP 23 HA ASP 23 -24.354 -8.641 -2.297 101 HB2 ASP 23 1HB ASP 23 -26.742 -8.993 -2.532 102 HB3 ASP 23 2HB ASP 23 -27.056 -7.275 -2.320 103 H VAL 24 H VAL 24 -26.086 -5.565 -1.991 104 HA VAL 24 HA VAL 24 -23.528 -4.149 -2.317 105 HB VAL 24 HB VAL 24 -26.171 -3.307 -3.541 106 HG11 VAL 24 1HG1 VAL 24 -24.872 -1.463 -4.528 107 HG12 VAL 24 2HG1 VAL 24 -23.465 -1.975 -3.597 108 HG13 VAL 24 3HG1 VAL 24 -24.905 -1.389 -2.767 109 HG21 VAL 24 3HG2 VAL 24 -25.029 -3.600 -5.693 110 HG22 VAL 24 1HG2 VAL 24 -25.129 -5.115 -4.794 111 HG23 VAL 24 2HG2 VAL 24 -23.610 -4.220 -4.847 112 H ASN 25 H ASN 25 -26.955 -3.589 -1.572 113 HA ASN 25 HA ASN 25 -28.010 -2.505 0.122 114 HB2 ASN 25 1HB ASN 25 -25.728 -3.675 1.730 115 HB3 ASN 25 2HB ASN 25 -27.264 -3.117 2.380 116 HD21 ASN 25 2HD2 ASN 25 -29.129 -4.327 1.994 117 HD22 ASN 25 1HD2 ASN 25 -29.050 -5.979 1.486 118 H GLY 26 H GLY 26 -27.182 -0.529 -1.060 119 HA2 GLY 26 1HA GLY 26 -26.727 1.594 0.480 120 HA3 GLY 26 2HA GLY 26 -25.100 0.942 0.341 121 H GLY 27 H GLY 27 -23.916 1.454 -1.403 122 HA2 GLY 27 1HA GLY 27 -23.471 2.161 -3.585 123 HA3 GLY 27 2HA GLY 27 -25.197 2.384 -3.842 124 H THR 28 H THR 28 -24.165 3.726 -0.953 125 HA THR 28 HA THR 28 -24.694 6.387 -1.840 126 HB THR 28 HB THR 28 -23.476 5.572 0.804 127 HG1 THR 28 1HG THR 28 -26.060 5.194 -0.227 128 HG21 THR 28 3HG2 THR 28 -24.692 7.509 1.664 129 HG22 THR 28 1HG2 THR 28 -25.335 7.835 0.055 130 HG23 THR 28 2HG2 THR 28 -23.607 7.993 0.363 131 HA PRO 29 HA PRO 29 -20.899 7.732 -3.594 132 HB2 PRO 29 2HB PRO 29 -21.284 10.002 -1.678 133 HB3 PRO 29 1HB PRO 29 -20.797 10.035 -3.374 134 HG2 PRO 29 2HG PRO 29 -23.321 10.525 -2.670 135 HG3 PRO 29 1HG PRO 29 -22.937 9.619 -4.142 136 HD2 PRO 29 2HD PRO 29 -24.097 8.667 -1.599 137 HD3 PRO 29 1HD PRO 29 -24.202 7.963 -3.222 138 HA PRO 30 HA PRO 30 -17.996 8.065 0.223 139 HB2 PRO 30 2HB PRO 30 -19.522 7.373 2.609 140 HB3 PRO 30 1HB PRO 30 -18.538 8.805 2.296 141 HG2 PRO 30 2HG PRO 30 -21.239 8.892 2.494 142 HG3 PRO 30 1HG PRO 30 -20.309 10.004 1.478 143 HD2 PRO 30 2HD PRO 30 -21.825 7.548 0.699 144 HD3 PRO 30 1HD PRO 30 -21.746 9.124 -0.116 145 H LYS 31 H LYS 31 -18.034 6.071 -1.221 146 HA LYS 31 HA LYS 31 -18.827 3.564 -0.047 147 HB2 LYS 31 1HB LYS 31 -18.837 4.234 -2.515 148 HB3 LYS 31 2HB LYS 31 -17.100 3.983 -2.469 149 HG2 LYS 31 1HG LYS 31 -17.512 1.642 -1.755 150 HG3 LYS 31 2HG LYS 31 -19.239 1.923 -1.987 151 HD2 LYS 31 1HD LYS 31 -17.102 2.172 -4.105 152 HD3 LYS 31 2HD LYS 31 -18.247 0.842 -3.943 153 HE2 LYS 31 1HE LYS 31 -20.095 2.288 -4.418 154 HE3 LYS 31 2HE LYS 31 -19.060 3.711 -4.363 155 HZ1 LYS 31 3HZ LYS 31 -18.849 1.526 -6.361 156 HZ2 LYS 31 1HZ LYS 31 -17.909 2.931 -6.321 157 HZ3 LYS 31 2HZ LYS 31 -19.567 3.033 -6.634 158 H SER 32 H SER 32 -17.152 4.643 1.747 159 HA SER 32 HA SER 32 -14.414 3.847 1.212 160 HB2 SER 32 1HB SER 32 -14.886 5.986 2.341 161 HB3 SER 32 2HB SER 32 -15.643 5.116 3.673 162 HG SER 32 HG SER 32 -13.676 5.204 4.447 163 H CYS 33 H CYS 33 -13.303 2.813 3.217 164 HA CYS 33 HA CYS 33 -14.712 0.291 3.698 165 HB2 CYS 33 2HB CYS 33 -11.807 0.981 4.193 166 HB3 CYS 33 1HB CYS 33 -12.526 -0.625 4.213 167 H SER 34 H SER 34 -14.811 -0.616 5.799 168 HA SER 34 HA SER 34 -15.039 1.351 7.909 169 HB2 SER 34 1HB SER 34 -15.523 -1.637 8.018 170 HB3 SER 34 2HB SER 34 -16.057 -0.441 9.198 171 HG SER 34 HG SER 34 -17.639 -1.164 7.561 172 H SER 35 H SER 35 -12.551 -0.376 6.670 173 HA SER 35 HA SER 35 -11.257 -1.310 9.023 174 HB2 SER 35 1HB SER 35 -9.249 -1.388 7.412 175 HB3 SER 35 2HB SER 35 -10.643 -2.397 7.025 176 HG SER 35 HG SER 35 -9.676 -1.005 5.294 177 H GLY 36 H GLY 36 -11.436 1.730 7.385 178 HA2 GLY 36 1HA GLY 36 -10.734 3.439 9.254 179 HA3 GLY 36 2HA GLY 36 -9.151 2.788 8.858 180 HA PRO 37 HA PRO 37 -9.640 6.597 6.246 181 HB2 PRO 37 2HB PRO 37 -6.721 6.104 6.226 182 HB3 PRO 37 1HB PRO 37 -7.604 7.609 6.472 183 HG2 PRO 37 2HG PRO 37 -6.419 6.281 8.494 184 HG3 PRO 37 1HG PRO 37 -7.897 7.230 8.710 185 HD2 PRO 37 2HD PRO 37 -7.530 4.301 8.681 186 HD3 PRO 37 1HD PRO 37 -8.794 5.285 9.442 187 H VAL 38 H VAL 38 -9.373 6.859 4.100 188 HA VAL 38 HA VAL 38 -8.747 4.560 2.458 189 HB VAL 38 HB VAL 38 -9.485 7.414 1.734 190 HG11 VAL 38 1HG1 VAL 38 -8.176 6.379 -0.046 191 HG12 VAL 38 2HG1 VAL 38 -9.860 6.589 -0.532 192 HG13 VAL 38 3HG1 VAL 38 -9.272 4.995 -0.055 193 HG21 VAL 38 3HG2 VAL 38 -11.102 4.879 1.665 194 HG22 VAL 38 1HG2 VAL 38 -11.661 6.481 1.184 195 HG23 VAL 38 2HG2 VAL 38 -11.247 6.159 2.871 196 H TYR 39 H TYR 39 -7.035 4.761 0.747 197 HA TYR 39 HA TYR 39 -4.872 6.484 1.751 198 HB2 TYR 39 2HB TYR 39 -4.616 3.687 0.647 199 HB3 TYR 39 1HB TYR 39 -3.263 4.733 1.057 200 HD1 TYR 39 2HD TYR 39 -5.994 2.686 2.400 201 HD2 TYR 39 1HD TYR 39 -2.664 5.150 3.369 202 HE1 TYR 39 2HE TYR 39 -6.057 1.852 4.710 203 HE2 TYR 39 1HE TYR 39 -2.720 4.322 5.686 204 HH TYR 39 HH TYR 39 -4.332 3.298 7.248 205 H CYS 40 H CYS 40 -3.685 7.587 0.370 206 HA CYS 40 HA CYS 40 -4.468 7.470 -2.465 207 HB2 CYS 40 2HB CYS 40 -5.034 9.579 -1.295 208 HB3 CYS 40 1HB CYS 40 -3.333 9.796 -0.898 209 H CYS 41 H CYS 41 -2.957 6.188 -3.400 210 HA CYS 41 HA CYS 41 -0.139 6.628 -2.657 211 HB2 CYS 41 2HB CYS 41 -1.333 4.357 -4.269 212 HB3 CYS 41 1HB CYS 41 0.311 4.461 -3.657 213 H ASN 42 H ASN 42 1.140 7.650 -4.008 214 HA ASN 42 HA ASN 42 0.321 8.858 -6.382 215 HB2 ASN 42 1HB ASN 42 2.268 9.618 -5.141 216 HB3 ASN 42 2HB ASN 42 3.093 8.095 -5.446 217 HD21 ASN 42 2HD2 ASN 42 4.825 9.022 -6.489 218 HD22 ASN 42 1HD2 ASN 42 4.709 9.769 -8.045 219 H LYS 43 H LYS 43 1.458 5.678 -5.744 220 HA LYS 43 HA LYS 43 0.629 4.705 -8.281 221 HB2 LYS 43 1HB LYS 43 3.173 5.717 -8.280 222 HB3 LYS 43 2HB LYS 43 3.473 4.041 -7.857 223 HG2 LYS 43 1HG LYS 43 1.832 4.820 -10.247 224 HG3 LYS 43 2HG LYS 43 3.581 4.645 -10.314 225 HD2 LYS 43 1HD LYS 43 1.719 2.473 -9.371 226 HD3 LYS 43 2HD LYS 43 2.281 2.628 -11.037 227 HE2 LYS 43 1HE LYS 43 4.606 2.441 -10.245 228 HE3 LYS 43 2HE LYS 43 4.014 2.236 -8.597 229 HZ1 LYS 43 3HZ LYS 43 2.836 0.235 -9.337 230 HZ2 LYS 43 1HZ LYS 43 4.513 0.104 -9.562 231 HZ3 LYS 43 2HZ LYS 43 3.501 0.415 -10.881 232 H THR 44 H THR 44 -0.360 2.816 -7.598 233 HA THR 44 HA THR 44 0.703 1.436 -5.311 234 HB THR 44 HB THR 44 -0.925 -0.382 -5.979 235 HG1 THR 44 1HG THR 44 -2.445 1.288 -7.490 236 HG21 THR 44 3HG2 THR 44 -2.806 0.836 -5.091 237 HG22 THR 44 1HG2 THR 44 -2.046 2.378 -5.494 238 HG23 THR 44 2HG2 THR 44 -1.332 1.332 -4.263 239 H GLU 45 H GLU 45 1.622 -0.591 -5.271 240 HA GLU 45 HA GLU 45 3.103 -1.227 -7.735 241 HB2 GLU 45 1HB GLU 45 4.326 -0.252 -5.667 242 HB3 GLU 45 2HB GLU 45 4.084 -1.842 -4.954 243 HG2 GLU 45 1HG GLU 45 6.283 -1.638 -5.964 244 HG3 GLU 45 2HG GLU 45 5.313 -2.865 -6.776 245 H ASP 46 H ASP 46 3.343 -3.371 -8.286 246 HA ASP 46 HA ASP 46 1.118 -5.005 -7.601 247 HB2 ASP 46 1HB ASP 46 3.579 -5.743 -9.198 248 HB3 ASP 46 2HB ASP 46 2.065 -6.637 -9.160 249 H SER 47 H SER 47 1.052 -5.858 -5.619 250 HA SER 47 HA SER 47 3.214 -6.591 -4.013 251 HB2 SER 47 1HB SER 47 0.494 -7.905 -3.926 252 HB3 SER 47 2HB SER 47 1.628 -7.674 -2.598 253 HG SER 47 HG SER 47 -0.170 -5.921 -3.730 254 H LYS 48 H LYS 48 2.022 -8.200 -6.762 255 HA LYS 48 HA LYS 48 2.628 -10.868 -5.902 256 HB2 LYS 48 1HB LYS 48 2.287 -9.914 -8.739 257 HB3 LYS 48 2HB LYS 48 2.077 -11.547 -8.124 258 HG2 LYS 48 1HG LYS 48 0.381 -9.208 -7.339 259 HG3 LYS 48 2HG LYS 48 -0.037 -10.350 -8.611 260 HD2 LYS 48 1HD LYS 48 -0.060 -12.159 -6.978 261 HD3 LYS 48 2HD LYS 48 0.423 -11.034 -5.707 262 HE2 LYS 48 1HE LYS 48 -2.007 -11.525 -5.714 263 HE3 LYS 48 2HE LYS 48 -1.636 -9.814 -5.929 264 HZ1 LYS 48 3HZ LYS 48 -2.025 -10.035 -8.281 265 HZ2 LYS 48 1HZ LYS 48 -3.377 -10.602 -7.439 266 HZ3 LYS 48 2HZ LYS 48 -2.291 -11.697 -8.131 267 H HIS 49 H HIS 49 4.254 -8.312 -7.669 268 HA HIS 49 HA HIS 49 6.769 -9.751 -7.455 269 HB2 HIS 49 1HB HIS 49 5.576 -8.786 -10.049 270 HB3 HIS 49 2HB HIS 49 7.280 -9.133 -9.851 271 HD1 HIS 49 HD1 HIS 49 7.940 -11.650 -9.498 272 HD2 HIS 49 HD2 HIS 49 3.936 -10.993 -10.387 273 HE1 HIS 49 HE1 HIS 49 7.005 -13.901 -10.104 274 HE2 HIS 49 HE2 HIS 49 4.542 -13.502 -10.449 275 H LEU 50 H LEU 50 6.532 -7.803 -5.823 276 HA LEU 50 HA LEU 50 6.933 -5.185 -6.604 277 HB2 LEU 50 1HB LEU 50 8.056 -6.706 -4.259 278 HB3 LEU 50 2HB LEU 50 8.202 -4.983 -4.451 279 HG LEU 50 HG LEU 50 6.433 -5.212 -2.986 280 HD11 LEU 50 1HD1 LEU 50 5.880 -3.713 -4.803 281 HD12 LEU 50 2HD1 LEU 50 4.447 -4.509 -4.153 282 HD13 LEU 50 3HD1 LEU 50 5.140 -5.055 -5.678 283 HD21 LEU 50 3HD2 LEU 50 6.252 -7.668 -3.328 284 HD22 LEU 50 1HD2 LEU 50 5.158 -7.317 -4.666 285 HD23 LEU 50 2HD2 LEU 50 4.740 -6.810 -3.023 286 H ASP 51 H ASP 51 8.760 -3.929 -6.943 287 HA ASP 51 HA ASP 51 11.027 -5.160 -8.151 288 HB2 ASP 51 1HB ASP 51 10.590 -2.319 -7.197 289 HB3 ASP 51 2HB ASP 51 12.000 -2.852 -8.104 290 H LYS 52 H LYS 52 13.266 -4.963 -7.321 291 HA LYS 52 HA LYS 52 13.412 -6.085 -4.753 292 HB2 LYS 52 1HB LYS 52 15.588 -4.810 -6.408 293 HB3 LYS 52 2HB LYS 52 15.861 -5.749 -4.945 294 HG2 LYS 52 1HG LYS 52 14.585 -6.773 -7.477 295 HG3 LYS 52 2HG LYS 52 16.248 -7.070 -6.968 296 HD2 LYS 52 1HD LYS 52 13.783 -7.913 -5.439 297 HD3 LYS 52 2HD LYS 52 14.750 -8.964 -6.473 298 HE2 LYS 52 1HE LYS 52 15.766 -7.522 -4.027 299 HE3 LYS 52 2HE LYS 52 15.292 -9.218 -4.082 300 HZ1 LYS 52 3HZ LYS 52 17.030 -9.594 -5.733 301 HZ2 LYS 52 1HZ LYS 52 17.671 -8.991 -4.289 302 HZ3 LYS 52 2HZ LYS 52 17.500 -7.975 -5.626 303 H GLY 53 H GLY 53 13.751 -2.783 -5.868 304 HA2 GLY 53 1HA GLY 53 14.771 -1.643 -3.514 305 HA3 GLY 53 2HA GLY 53 13.803 -0.802 -4.716 306 H THR 54 H THR 54 11.510 -2.553 -4.430 307 HA THR 54 HA THR 54 10.361 -1.282 -2.097 308 HB THR 54 HB THR 54 8.995 -3.128 -4.065 309 HG1 THR 54 1HG THR 54 10.018 -0.768 -4.563 310 HG21 THR 54 3HG2 THR 54 7.748 -2.840 -2.000 311 HG22 THR 54 1HG2 THR 54 6.950 -1.951 -3.302 312 HG23 THR 54 2HG2 THR 54 7.924 -1.087 -2.108 313 H THR 55 H THR 55 10.900 -4.576 -3.304 314 HA THR 55 HA THR 55 9.973 -6.042 -1.150 315 HB THR 55 HB THR 55 12.438 -6.545 -2.834 316 HG1 THR 55 1HG THR 55 10.218 -8.085 -3.285 317 HG21 THR 55 3HG2 THR 55 12.506 -7.863 -0.783 318 HG22 THR 55 1HG2 THR 55 12.195 -8.895 -2.181 319 HG23 THR 55 2HG2 THR 55 10.873 -8.457 -1.097 320 H ALA 56 H ALA 56 12.948 -4.242 -1.556 321 HA ALA 56 HA ALA 56 14.334 -4.994 0.725 322 HB1 ALA 56 3HB ALA 56 15.326 -3.619 -0.998 323 HB2 ALA 56 1HB ALA 56 15.437 -2.794 0.557 324 HB3 ALA 56 2HB ALA 56 14.218 -2.298 -0.622 325 H LEU 57 H LEU 57 12.076 -2.223 0.387 326 HA LEU 57 HA LEU 57 12.235 -1.376 3.060 327 HB2 LEU 57 1HB LEU 57 9.847 -1.165 1.234 328 HB3 LEU 57 2HB LEU 57 10.065 -0.280 2.725 329 HG LEU 57 HG LEU 57 10.869 1.376 1.499 330 HD11 LEU 57 1HD1 LEU 57 13.134 -0.428 0.709 331 HD12 LEU 57 2HD1 LEU 57 13.014 0.375 2.275 332 HD13 LEU 57 3HD1 LEU 57 13.147 1.333 0.798 333 HD21 LEU 57 3HD2 LEU 57 11.348 -0.440 -0.830 334 HD22 LEU 57 1HD2 LEU 57 11.032 1.294 -0.850 335 HD23 LEU 57 2HD2 LEU 57 9.744 0.162 -0.412 336 H LEU 58 H LEU 58 10.017 -3.566 1.448 337 HA LEU 58 HA LEU 58 8.368 -4.146 3.633 338 HB2 LEU 58 1HB LEU 58 9.142 -6.051 1.437 339 HB3 LEU 58 2HB LEU 58 7.672 -6.080 2.393 340 HG LEU 58 HG LEU 58 8.404 -3.911 0.412 341 HD11 LEU 58 1HD1 LEU 58 6.611 -4.854 -0.943 342 HD12 LEU 58 2HD1 LEU 58 6.386 -6.142 0.246 343 HD13 LEU 58 3HD1 LEU 58 7.893 -6.035 -0.668 344 HD21 LEU 58 3HD2 LEU 58 6.110 -3.147 0.750 345 HD22 LEU 58 1HD2 LEU 58 7.032 -3.084 2.252 346 HD23 LEU 58 2HD2 LEU 58 5.871 -4.384 1.985 347 H GLY 59 H GLY 59 11.314 -5.724 2.463 348 HA2 GLY 59 1HA GLY 59 11.495 -7.675 4.458 349 HA3 GLY 59 2HA GLY 59 12.856 -7.005 3.577 350 H LEU 60 H LEU 60 12.566 -4.309 4.425 351 HA LEU 60 HA LEU 60 13.997 -4.304 6.853 352 HB2 LEU 60 1HB LEU 60 12.370 -2.021 5.717 353 HB3 LEU 60 2HB LEU 60 13.701 -1.895 6.852 354 HG LEU 60 HG LEU 60 13.812 -2.538 3.918 355 HD11 LEU 60 1HD1 LEU 60 13.819 -0.200 4.510 356 HD12 LEU 60 2HD1 LEU 60 15.405 -0.682 3.906 357 HD13 LEU 60 3HD1 LEU 60 15.149 -0.464 5.639 358 HD21 LEU 60 3HD2 LEU 60 16.040 -2.857 5.925 359 HD22 LEU 60 1HD2 LEU 60 16.181 -3.021 4.175 360 HD23 LEU 60 2HD2 LEU 60 15.204 -4.168 5.095 361 H LEU 61 H LEU 61 10.648 -3.820 6.082 362 HA LEU 61 HA LEU 61 9.941 -3.269 8.851 363 HB2 LEU 61 1HB LEU 61 8.241 -3.363 6.359 364 HB3 LEU 61 2HB LEU 61 7.725 -2.787 7.934 365 HG LEU 61 HG LEU 61 10.091 -1.513 6.624 366 HD11 LEU 61 1HD1 LEU 61 8.427 -1.509 4.881 367 HD12 LEU 61 2HD1 LEU 61 8.599 0.110 5.556 368 HD13 LEU 61 3HD1 LEU 61 7.214 -0.887 6.001 369 HD21 LEU 61 3HD2 LEU 61 7.910 -0.445 8.404 370 HD22 LEU 61 1HD2 LEU 61 9.359 0.416 7.883 371 HD23 LEU 61 2HD2 LEU 61 9.500 -0.982 8.950 372 H ASN 62 H ASN 62 10.531 -5.971 7.193 373 HA ASN 62 HA ASN 62 10.228 -8.165 7.655 374 HB2 ASN 62 1HB ASN 62 8.867 -7.075 10.113 375 HB3 ASN 62 2HB ASN 62 9.135 -8.791 9.835 376 HD21 ASN 62 2HD2 ASN 62 10.562 -5.766 10.681 377 HD22 ASN 62 1HD2 ASN 62 12.122 -6.383 11.099 378 H ILE 63 H ILE 63 8.382 -6.754 5.992 379 HA ILE 63 HA ILE 63 5.798 -7.996 6.483 380 HB ILE 63 HB ILE 63 6.740 -6.254 4.197 381 HG12 ILE 63 1HG1 ILE 63 4.936 -5.455 6.467 382 HG13 ILE 63 2HG1 ILE 63 6.687 -5.335 6.607 383 HG21 ILE 63 1HG2 ILE 63 3.959 -7.107 5.001 384 HG22 ILE 63 2HG2 ILE 63 4.837 -7.631 3.562 385 HG23 ILE 63 3HG2 ILE 63 4.349 -5.943 3.735 386 HD11 ILE 63 3HD1 ILE 63 5.664 -3.228 5.953 387 HD12 ILE 63 1HD1 ILE 63 5.015 -4.005 4.506 388 HD13 ILE 63 2HD1 ILE 63 6.760 -3.851 4.718 389 H LYS 64 H LYS 64 4.905 -9.565 5.207 390 HA LYS 64 HA LYS 64 6.809 -11.153 3.678 391 HB2 LYS 64 1HB LYS 64 4.039 -11.756 4.722 392 HB3 LYS 64 2HB LYS 64 4.981 -12.875 3.755 393 HG2 LYS 64 1HG LYS 64 5.234 -13.527 6.005 394 HG3 LYS 64 2HG LYS 64 6.748 -12.765 5.529 395 HD2 LYS 64 1HD LYS 64 5.997 -10.678 6.620 396 HD3 LYS 64 2HD LYS 64 4.537 -11.515 7.153 397 HE2 LYS 64 1HE LYS 64 5.837 -13.042 8.480 398 HE3 LYS 64 2HE LYS 64 7.340 -12.375 7.847 399 HZ1 LYS 64 3HZ LYS 64 6.797 -10.264 8.906 400 HZ2 LYS 64 1HZ LYS 64 6.863 -11.517 10.045 401 HZ3 LYS 64 2HZ LYS 64 5.368 -10.925 9.525 402 H ILE 65 H ILE 65 6.890 -10.961 1.586 403 HA ILE 65 HA ILE 65 5.101 -9.355 0.101 404 HB ILE 65 HB ILE 65 7.374 -11.152 -0.733 405 HG12 ILE 65 1HG1 ILE 65 8.432 -8.997 -1.373 406 HG13 ILE 65 2HG1 ILE 65 7.025 -8.151 -0.751 407 HG21 ILE 65 1HG2 ILE 65 7.177 -10.256 -2.988 408 HG22 ILE 65 2HG2 ILE 65 5.724 -9.377 -2.511 409 HG23 ILE 65 3HG2 ILE 65 5.721 -11.141 -2.529 410 HD11 ILE 65 3HD1 ILE 65 8.931 -9.831 0.867 411 HD12 ILE 65 1HD1 ILE 65 7.530 -8.961 1.494 412 HD13 ILE 65 2HD1 ILE 65 8.892 -8.068 0.811 413 H GLY 66 H GLY 66 5.493 -12.821 0.536 414 HA2 GLY 66 1HA GLY 66 3.571 -13.539 -1.475 415 HA3 GLY 66 2HA GLY 66 4.270 -14.608 -0.272 416 H ASP 67 H ASP 67 3.333 -12.399 1.718 417 HA ASP 67 HA ASP 67 0.744 -13.615 2.222 418 HB2 ASP 67 1HB ASP 67 2.275 -13.314 4.098 419 HB3 ASP 67 2HB ASP 67 2.343 -11.583 3.789 420 H LEU 68 H LEU 68 2.022 -10.820 0.780 421 HA LEU 68 HA LEU 68 0.145 -8.859 1.330 422 HB2 LEU 68 1HB LEU 68 1.744 -9.332 -1.179 423 HB3 LEU 68 2HB LEU 68 0.854 -7.860 -0.832 424 HG LEU 68 HG LEU 68 3.152 -8.934 0.800 425 HD11 LEU 68 1HD1 LEU 68 3.000 -6.572 -1.067 426 HD12 LEU 68 2HD1 LEU 68 3.883 -8.072 -1.355 427 HD13 LEU 68 3HD1 LEU 68 4.375 -6.998 -0.046 428 HD21 LEU 68 3HD2 LEU 68 2.999 -6.743 1.936 429 HD22 LEU 68 1HD2 LEU 68 1.590 -7.770 2.201 430 HD23 LEU 68 2HD2 LEU 68 1.500 -6.432 1.058 431 H LYS 69 H LYS 69 -1.679 -8.133 0.354 432 HA LYS 69 HA LYS 69 -3.314 -10.324 -0.602 433 HB2 LYS 69 1HB LYS 69 -3.947 -7.616 0.529 434 HB3 LYS 69 2HB LYS 69 -5.188 -8.596 -0.237 435 HG2 LYS 69 1HG LYS 69 -5.305 -8.950 2.118 436 HG3 LYS 69 2HG LYS 69 -4.666 -10.417 1.380 437 HD2 LYS 69 1HD LYS 69 -2.364 -9.564 1.950 438 HD3 LYS 69 2HD LYS 69 -3.151 -8.294 2.889 439 HE2 LYS 69 1HE LYS 69 -3.550 -11.250 3.326 440 HE3 LYS 69 2HE LYS 69 -2.440 -10.244 4.250 441 HZ1 LYS 69 3HZ LYS 69 -4.576 -10.592 5.368 442 HZ2 LYS 69 1HZ LYS 69 -5.374 -9.819 4.096 443 HZ3 LYS 69 2HZ LYS 69 -4.283 -8.957 5.060 444 H ASP 70 H ASP 70 -3.177 -6.861 -1.554 445 HA ASP 70 HA ASP 70 -3.669 -7.784 -4.306 446 HB2 ASP 70 1HB ASP 70 -5.404 -6.227 -2.739 447 HB3 ASP 70 2HB ASP 70 -4.670 -5.110 -3.881 448 H LEU 71 H LEU 71 -3.214 -4.455 -3.203 449 HA LEU 71 HA LEU 71 -0.651 -4.421 -4.665 450 HB2 LEU 71 1HB LEU 71 -2.679 -2.239 -4.267 451 HB3 LEU 71 2HB LEU 71 -1.048 -1.937 -4.820 452 HG LEU 71 HG LEU 71 -2.139 -1.959 -6.798 453 HD11 LEU 71 1HD1 LEU 71 -1.598 -4.887 -6.400 454 HD12 LEU 71 2HD1 LEU 71 -0.432 -3.669 -6.921 455 HD13 LEU 71 3HD1 LEU 71 -1.804 -4.075 -7.950 456 HD21 LEU 71 3HD2 LEU 71 -3.967 -4.157 -5.860 457 HD22 LEU 71 1HD2 LEU 71 -4.123 -3.196 -7.331 458 HD23 LEU 71 2HD2 LEU 71 -4.334 -2.434 -5.750 459 H VAL 72 H VAL 72 0.887 -2.821 -3.974 460 HA VAL 72 HA VAL 72 0.644 -2.005 -1.150 461 HB VAL 72 HB VAL 72 2.676 -2.799 -0.655 462 HG11 VAL 72 1HG1 VAL 72 3.819 -4.366 -2.180 463 HG12 VAL 72 2HG1 VAL 72 2.721 -3.861 -3.468 464 HG13 VAL 72 3HG1 VAL 72 2.085 -4.668 -2.036 465 HG21 VAL 72 3HG2 VAL 72 4.737 -2.229 -2.014 466 HG22 VAL 72 1HG2 VAL 72 3.823 -0.858 -1.367 467 HG23 VAL 72 2HG2 VAL 72 3.670 -1.308 -3.072 468 H GLY 73 H GLY 73 1.890 0.148 -0.789 469 HA2 GLY 73 1HA GLY 73 1.876 1.734 -3.267 470 HA3 GLY 73 2HA GLY 73 0.935 2.284 -1.891 471 H LEU 74 H LEU 74 3.527 3.129 -3.450 472 HA LEU 74 HA LEU 74 5.220 3.460 -1.097 473 HB2 LEU 74 1HB LEU 74 7.010 4.113 -2.503 474 HB3 LEU 74 2HB LEU 74 6.283 2.698 -3.214 475 HG LEU 74 HG LEU 74 6.878 4.065 -5.011 476 HD11 LEU 74 1HD1 LEU 74 4.674 3.162 -5.309 477 HD12 LEU 74 2HD1 LEU 74 4.805 4.743 -6.080 478 HD13 LEU 74 3HD1 LEU 74 3.962 4.581 -4.538 479 HD21 LEU 74 3HD2 LEU 74 7.349 6.117 -3.862 480 HD22 LEU 74 1HD2 LEU 74 5.631 6.402 -3.588 481 HD23 LEU 74 2HD2 LEU 74 6.280 6.436 -5.226 482 H ASN 75 H ASN 75 5.586 5.325 -0.112 483 HA ASN 75 HA ASN 75 4.971 7.327 0.783 484 HB2 ASN 75 1HB ASN 75 5.243 8.194 -2.103 485 HB3 ASN 75 2HB ASN 75 5.257 9.264 -0.705 486 HD21 ASN 75 2HD2 ASN 75 7.033 9.166 0.742 487 HD22 ASN 75 1HD2 ASN 75 8.559 8.535 0.222 488 H CYS 76 H CYS 76 2.835 5.934 0.761 489 HA CYS 76 HA CYS 76 0.716 7.203 -0.788 490 HB2 CYS 76 2HB CYS 76 1.014 4.691 -0.540 491 HB3 CYS 76 1HB CYS 76 0.466 4.879 1.117 492 H SER 77 H SER 77 -0.912 8.347 0.112 493 HA SER 77 HA SER 77 -0.336 9.349 2.808 494 HB2 SER 77 1HB SER 77 -0.367 10.939 0.860 495 HB3 SER 77 2HB SER 77 -2.091 10.613 0.696 496 HG SER 77 HG SER 77 -2.271 12.189 2.078 497 HA PRO 78 HA PRO 78 -4.136 7.349 4.118 498 HB2 PRO 78 2HB PRO 78 -3.697 8.510 6.734 499 HB3 PRO 78 1HB PRO 78 -3.557 6.823 6.242 500 HG2 PRO 78 2HG PRO 78 -1.426 8.374 6.967 501 HG3 PRO 78 1HG PRO 78 -1.309 6.985 5.872 502 HD2 PRO 78 2HD PRO 78 -1.398 9.907 5.230 503 HD3 PRO 78 1HD PRO 78 -0.438 8.611 4.484 504 H LEU 79 H LEU 79 -6.045 8.148 3.692 505 HA LEU 79 HA LEU 79 -6.634 10.973 4.229 506 HB2 LEU 79 1HB LEU 79 -8.353 9.035 2.705 507 HB3 LEU 79 2HB LEU 79 -8.318 10.782 2.585 508 HG LEU 79 HG LEU 79 -6.075 8.980 1.677 509 HD11 LEU 79 1HD1 LEU 79 -8.020 8.549 0.332 510 HD12 LEU 79 2HD1 LEU 79 -6.856 9.493 -0.597 511 HD13 LEU 79 3HD1 LEU 79 -8.279 10.277 0.089 512 HD21 LEU 79 3HD2 LEU 79 -6.600 11.923 1.332 513 HD22 LEU 79 1HD2 LEU 79 -5.368 11.022 0.448 514 HD23 LEU 79 2HD2 LEU 79 -5.268 11.160 2.204 515 H SER 80 H SER 80 -7.091 10.845 6.452 516 HA SER 80 HA SER 80 -8.818 8.833 7.545 517 HB2 SER 80 1HB SER 80 -7.930 11.453 8.780 518 HB3 SER 80 2HB SER 80 -8.578 10.051 9.632 519 HG SER 80 HG SER 80 -6.041 10.546 8.784 520 H VAL 81 H VAL 81 -9.202 12.134 6.397 521 HA VAL 81 HA VAL 81 -12.056 11.961 7.088 522 HB VAL 81 HB VAL 81 -12.105 14.447 7.024 523 HG11 VAL 81 1HG1 VAL 81 -11.009 14.771 9.196 524 HG12 VAL 81 2HG1 VAL 81 -10.181 13.225 8.999 525 HG13 VAL 81 3HG1 VAL 81 -11.938 13.273 9.144 526 HG21 VAL 81 3HG2 VAL 81 -9.099 14.212 6.915 527 HG22 VAL 81 1HG2 VAL 81 -10.015 15.700 7.149 528 HG23 VAL 81 2HG2 VAL 81 -10.131 14.825 5.623 529 H ILE 82 H ILE 82 -13.402 11.755 5.469 530 HA ILE 82 HA ILE 82 -12.578 12.251 2.745 531 HB ILE 82 HB ILE 82 -15.222 11.312 3.835 532 HG12 ILE 82 1HG1 ILE 82 -13.367 9.773 4.318 533 HG13 ILE 82 2HG1 ILE 82 -14.488 9.093 3.155 534 HG21 ILE 82 1HG2 ILE 82 -15.715 10.615 1.553 535 HG22 ILE 82 2HG2 ILE 82 -14.171 11.271 1.009 536 HG23 ILE 82 3HG2 ILE 82 -15.419 12.354 1.625 537 HD11 ILE 82 3HD1 ILE 82 -12.208 8.597 2.534 538 HD12 ILE 82 1HD1 ILE 82 -11.814 10.316 2.531 539 HD13 ILE 82 2HD1 ILE 82 -12.945 9.667 1.342 540 H GLY 83 H GLY 83 -13.013 14.056 1.623 541 HA2 GLY 83 1HA GLY 83 -14.917 15.708 1.218 542 HA3 GLY 83 2HA GLY 83 -14.733 16.067 2.929 543 H VAL 84 H VAL 84 -12.366 16.585 3.546 544 HA VAL 84 HA VAL 84 -11.378 18.538 1.614 545 HB VAL 84 HB VAL 84 -11.659 19.477 3.793 546 HG11 VAL 84 1HG1 VAL 84 -9.917 17.257 4.852 547 HG12 VAL 84 2HG1 VAL 84 -11.648 17.448 5.124 548 HG13 VAL 84 3HG1 VAL 84 -10.517 18.627 5.784 549 HG21 VAL 84 3HG2 VAL 84 -9.376 20.222 4.326 550 HG22 VAL 84 1HG2 VAL 84 -9.705 20.256 2.593 551 HG23 VAL 84 2HG2 VAL 84 -8.735 18.956 3.281 552 H GLY 85 H GLY 85 -10.054 17.690 0.164 553 HA2 GLY 85 1HA GLY 85 -8.053 16.817 -0.622 554 HA3 GLY 85 2HA GLY 85 -7.602 16.436 1.031 555 H GLY 86 H GLY 86 -9.503 14.777 1.894 556 HA2 GLY 86 1HA GLY 86 -8.886 12.360 0.469 557 HA3 GLY 86 2HA GLY 86 -9.828 12.493 1.946 558 H ASN 87 H ASN 87 -10.014 13.113 -1.542 559 HA ASN 87 HA ASN 87 -12.714 11.947 -1.449 560 HB2 ASN 87 1HB ASN 87 -11.881 14.162 -3.339 561 HB3 ASN 87 2HB ASN 87 -13.463 13.409 -3.246 562 HD21 ASN 87 2HD2 ASN 87 -11.307 15.721 -1.895 563 HD22 ASN 87 1HD2 ASN 87 -12.424 16.418 -0.765 564 H SER 88 H SER 88 -11.071 13.051 -4.341 565 HA SER 88 HA SER 88 -10.618 10.265 -5.115 566 HB2 SER 88 1HB SER 88 -11.761 11.949 -6.672 567 HB3 SER 88 2HB SER 88 -10.182 12.712 -6.836 568 HG SER 88 HG SER 88 -9.382 10.736 -7.649 569 H CYS 89 H CYS 89 -9.105 13.077 -3.987 570 HA CYS 89 HA CYS 89 -7.083 13.464 -3.089 571 HB2 CYS 89 2HB CYS 89 -5.883 11.730 -2.224 572 HB3 CYS 89 1HB CYS 89 -7.377 10.885 -2.583 573 H SER 90 H SER 90 -7.615 13.151 -6.196 574 HA SER 90 HA SER 90 -6.563 13.824 -8.080 575 HB2 SER 90 1HB SER 90 -4.244 14.586 -6.296 576 HB3 SER 90 2HB SER 90 -4.519 15.135 -7.949 577 HG SER 90 HG SER 90 -6.411 15.561 -5.884 578 H ALA 91 H ALA 91 -4.456 12.020 -5.892 579 HA ALA 91 HA ALA 91 -3.111 10.735 -8.139 580 HB1 ALA 91 3HB ALA 91 -1.732 9.651 -6.440 581 HB2 ALA 91 1HB ALA 91 -2.746 10.334 -5.170 582 HB3 ALA 91 2HB ALA 91 -1.781 11.397 -6.193 583 H GLN 92 H GLN 92 -2.773 8.157 -6.794 584 HA GLN 92 HA GLN 92 -5.286 7.068 -7.713 585 HB2 GLN 92 1HB GLN 92 -3.754 5.779 -8.729 586 HB3 GLN 92 2HB GLN 92 -2.498 6.195 -7.570 587 HG2 GLN 92 1HG GLN 92 -3.058 4.496 -6.154 588 HG3 GLN 92 2HG GLN 92 -4.667 4.297 -6.827 589 HE21 GLN 92 2HE2 GLN 92 -1.775 4.638 -8.746 590 HE22 GLN 92 1HE2 GLN 92 -1.786 3.030 -9.387 591 H THR 93 H THR 93 -6.839 6.656 -6.357 592 HA THR 93 HA THR 93 -6.283 6.498 -3.515 593 HB THR 93 HB THR 93 -9.075 6.353 -4.069 594 HG1 THR 93 1HG THR 93 -7.950 8.659 -5.283 595 HG21 THR 93 3HG2 THR 93 -9.080 8.525 -2.900 596 HG22 THR 93 1HG2 THR 93 -7.320 8.589 -3.033 597 HG23 THR 93 2HG2 THR 93 -8.093 7.323 -2.070 598 H VAL 94 H VAL 94 -6.274 4.683 -2.470 599 HA VAL 94 HA VAL 94 -7.787 2.374 -3.473 600 HB VAL 94 HB VAL 94 -5.861 0.911 -2.760 601 HG11 VAL 94 1HG1 VAL 94 -6.245 1.177 -5.089 602 HG12 VAL 94 2HG1 VAL 94 -4.517 1.357 -4.822 603 HG13 VAL 94 3HG1 VAL 94 -5.518 2.783 -5.092 604 HG21 VAL 94 3HG2 VAL 94 -4.662 2.532 -1.400 605 HG22 VAL 94 1HG2 VAL 94 -4.364 3.529 -2.824 606 HG23 VAL 94 2HG2 VAL 94 -3.628 1.929 -2.697 607 H CYS 95 H CYS 95 -7.971 0.651 -1.825 608 HA CYS 95 HA CYS 95 -8.079 1.755 0.907 609 HB2 CYS 95 2HB CYS 95 -10.295 1.160 0.005 610 HB3 CYS 95 1HB CYS 95 -9.725 -0.472 -0.329 611 H CYS 96 H CYS 96 -6.647 0.901 2.284 612 HA CYS 96 HA CYS 96 -5.311 -1.605 1.493 613 HB2 CYS 96 2HB CYS 96 -3.990 0.734 2.861 614 HB3 CYS 96 1HB CYS 96 -3.213 -0.663 2.117 615 H THR 97 H THR 97 -4.354 -2.846 3.193 616 HA THR 97 HA THR 97 -6.232 -2.963 5.399 617 HB THR 97 HB THR 97 -5.614 -5.032 4.220 618 HG1 THR 97 1HG THR 97 -4.845 -4.865 6.964 619 HG21 THR 97 3HG2 THR 97 -2.873 -4.660 5.434 620 HG22 THR 97 1HG2 THR 97 -3.259 -4.455 3.726 621 HG23 THR 97 2HG2 THR 97 -3.423 -6.039 4.483 622 H ASN 98 H ASN 98 -2.938 -2.032 4.867 623 HA ASN 98 HA ASN 98 -2.706 -1.014 7.561 624 HB2 ASN 98 1HB ASN 98 -1.011 -3.322 6.619 625 HB3 ASN 98 2HB ASN 98 -0.415 -2.186 7.819 626 HD21 ASN 98 2HD2 ASN 98 -1.354 -2.142 9.857 627 HD22 ASN 98 1HD2 ASN 98 -2.331 -3.449 10.440 628 H THR 99 H THR 99 -0.826 0.333 7.822 629 HA THR 99 HA THR 99 0.656 0.887 5.360 630 HB THR 99 HB THR 99 -1.105 2.600 5.537 631 HG1 THR 99 1HG THR 99 0.765 3.296 4.580 632 HG21 THR 99 3HG2 THR 99 -1.392 2.658 7.958 633 HG22 THR 99 1HG2 THR 99 -1.032 4.270 7.338 634 HG23 THR 99 2HG2 THR 99 0.227 3.334 8.145 635 H TYR 100 H TYR 100 2.755 1.481 5.645 636 HA TYR 100 HA TYR 100 3.793 1.514 8.399 637 HB2 TYR 100 2HB TYR 100 5.025 0.030 6.063 638 HB3 TYR 100 1HB TYR 100 5.710 0.155 7.676 639 HD1 TYR 100 1HD TYR 100 3.051 -1.371 5.648 640 HD2 TYR 100 2HD TYR 100 4.899 -1.222 9.476 641 HE1 TYR 100 1HE TYR 100 1.883 -3.435 6.286 642 HE2 TYR 100 2HE TYR 100 3.730 -3.287 10.127 643 HH TYR 100 HH TYR 100 2.120 -5.269 7.867 644 H GLN 101 H GLN 101 5.901 2.533 8.577 645 HA GLN 101 HA GLN 101 7.381 4.202 8.200 646 HB2 GLN 101 1HB GLN 101 6.966 3.086 5.461 647 HB3 GLN 101 2HB GLN 101 7.921 4.545 5.661 648 HG2 GLN 101 1HG GLN 101 8.470 2.042 7.208 649 HG3 GLN 101 2HG GLN 101 9.173 2.363 5.621 650 HE21 GLN 101 2HE2 GLN 101 10.692 3.935 5.391 651 HE22 GLN 101 1HE2 GLN 101 11.447 4.731 6.716 652 H HIS 102 H HIS 102 4.567 4.832 8.389 653 HA HIS 102 HA HIS 102 3.255 6.675 8.413 654 HB2 HIS 102 1HB HIS 102 5.723 8.022 7.321 655 HB3 HIS 102 2HB HIS 102 4.241 8.885 7.697 656 HD1 HIS 102 HD1 HIS 102 3.772 9.412 10.142 657 HD2 HIS 102 HD2 HIS 102 7.141 7.038 9.578 658 HE1 HIS 102 HE1 HIS 102 4.949 9.366 12.365 659 HE2 HIS 102 HE2 HIS 102 7.068 8.063 11.952 660 H GLY 103 H GLY 103 4.251 5.180 5.663 661 HA2 GLY 103 1HA GLY 103 2.116 5.226 4.173 662 HA3 GLY 103 2HA GLY 103 2.661 6.871 3.887 663 H LEU 104 H LEU 104 5.495 5.765 4.197 664 HA LEU 104 HA LEU 104 6.258 5.695 1.551 665 HB2 LEU 104 1HB LEU 104 7.624 4.078 3.690 666 HB3 LEU 104 2HB LEU 104 8.342 4.727 2.235 667 HG LEU 104 HG LEU 104 7.453 6.274 4.661 668 HD11 LEU 104 1HD1 LEU 104 10.153 5.878 3.411 669 HD12 LEU 104 2HD1 LEU 104 9.546 5.036 4.839 670 HD13 LEU 104 3HD1 LEU 104 9.791 6.784 4.881 671 HD21 LEU 104 3HD2 LEU 104 6.922 7.588 2.735 672 HD22 LEU 104 1HD2 LEU 104 8.512 7.270 2.037 673 HD23 LEU 104 2HD2 LEU 104 8.373 8.231 3.509 674 H VAL 105 H VAL 105 5.469 3.014 3.668 675 HA VAL 105 HA VAL 105 5.131 1.275 1.306 676 HB VAL 105 HB VAL 105 6.473 0.818 3.916 677 HG11 VAL 105 1HG1 VAL 105 4.578 -0.661 4.161 678 HG12 VAL 105 2HG1 VAL 105 6.050 -1.585 3.873 679 HG13 VAL 105 3HG1 VAL 105 4.884 -1.355 2.568 680 HG21 VAL 105 3HG2 VAL 105 7.728 0.975 1.846 681 HG22 VAL 105 1HG2 VAL 105 6.790 -0.349 1.156 682 HG23 VAL 105 2HG2 VAL 105 7.863 -0.649 2.525 683 H ASN 106 H ASN 106 3.144 0.645 1.005 684 HA ASN 106 HA ASN 106 1.233 0.630 3.250 685 HB2 ASN 106 1HB ASN 106 1.185 2.581 1.466 686 HB3 ASN 106 2HB ASN 106 0.412 1.363 0.461 687 HD21 ASN 106 2HD2 ASN 106 -1.411 2.717 0.433 688 HD22 ASN 106 1HD2 ASN 106 -2.510 2.732 1.763 689 H VAL 107 H VAL 107 -0.375 -1.081 3.087 690 HA VAL 107 HA VAL 107 0.305 -3.075 1.027 691 HB VAL 107 HB VAL 107 0.071 -4.871 2.759 692 HG11 VAL 107 1HG1 VAL 107 2.250 -4.232 1.879 693 HG12 VAL 107 2HG1 VAL 107 2.374 -4.619 3.596 694 HG13 VAL 107 3HG1 VAL 107 2.369 -2.935 3.069 695 HG21 VAL 107 3HG2 VAL 107 0.424 -2.576 4.675 696 HG22 VAL 107 1HG2 VAL 107 0.442 -4.290 5.089 697 HG23 VAL 107 2HG2 VAL 107 -1.036 -3.545 4.480 698 H GLY 108 H GLY 108 -1.200 -4.636 0.534 699 HA2 GLY 108 1HA GLY 108 -3.272 -5.554 0.213 700 HA3 GLY 108 2HA GLY 108 -3.677 -4.998 1.830 701 H CYS 109 H CYS 109 -2.888 -3.354 -1.213 702 HA CYS 109 HA CYS 109 -5.037 -1.472 -0.614 703 HB2 CYS 109 2HB CYS 109 -2.724 -1.347 -2.551 704 HB3 CYS 109 1HB CYS 109 -3.962 -0.108 -2.431 705 H THR 110 H THR 110 -6.860 -1.409 -1.710 706 HA THR 110 HA THR 110 -6.981 -2.677 -4.365 707 HB THR 110 HB THR 110 -9.383 -3.159 -3.864 708 HG1 THR 110 1HG THR 110 -8.718 -2.681 -1.141 709 HG21 THR 110 3HG2 THR 110 -8.952 -5.072 -2.373 710 HG22 THR 110 1HG2 THR 110 -7.367 -4.399 -1.992 711 HG23 THR 110 2HG2 THR 110 -7.730 -4.924 -3.637 712 HA PRO 111 HA PRO 111 -7.883 1.472 -5.812 713 HB2 PRO 111 2HB PRO 111 -9.323 -0.133 -7.873 714 HB3 PRO 111 1HB PRO 111 -8.192 1.209 -8.076 715 HG2 PRO 111 2HG PRO 111 -7.391 -1.284 -8.509 716 HG3 PRO 111 1HG PRO 111 -6.330 -0.125 -7.686 717 HD2 PRO 111 2HD PRO 111 -7.906 -2.387 -6.551 718 HD3 PRO 111 1HD PRO 111 -6.321 -1.756 -6.066 719 H ILE 112 H ILE 112 -9.375 2.712 -4.949 720 HA ILE 112 HA ILE 112 -12.153 1.731 -4.841 721 HB ILE 112 HB ILE 112 -11.224 1.931 -2.594 722 HG12 ILE 112 1HG1 ILE 112 -13.204 4.114 -3.276 723 HG13 ILE 112 2HG1 ILE 112 -13.576 2.450 -2.848 724 HG21 ILE 112 1HG2 ILE 112 -10.523 4.102 -1.692 725 HG22 ILE 112 2HG2 ILE 112 -10.684 4.811 -3.298 726 HG23 ILE 112 3HG2 ILE 112 -9.479 3.558 -3.004 727 HD11 ILE 112 3HD1 ILE 112 -12.325 4.493 -1.032 728 HD12 ILE 112 1HD1 ILE 112 -12.708 2.825 -0.603 729 HD13 ILE 112 2HD1 ILE 112 -14.005 3.955 -0.997 730 H ASN 113 H ASN 113 -13.730 2.988 -5.690 731 HA ASN 113 HA ASN 113 -13.014 5.742 -6.455 732 HB2 ASN 113 1HB ASN 113 -13.227 4.393 -8.475 733 HB3 ASN 113 2HB ASN 113 -14.803 3.808 -7.948 734 HD21 ASN 113 2HD2 ASN 113 -15.798 4.594 -9.799 735 HD22 ASN 113 1HD2 ASN 113 -16.080 6.281 -10.050 736 H ILE 114 H ILE 114 -14.135 7.179 -5.334 737 HA ILE 114 HA ILE 114 -16.590 6.339 -4.023 738 HB ILE 114 HB ILE 114 -16.381 8.778 -3.059 739 HG12 ILE 114 1HG1 ILE 114 -14.049 9.454 -2.740 740 HG13 ILE 114 2HG1 ILE 114 -13.505 8.133 -3.763 741 HG21 ILE 114 1HG2 ILE 114 -14.649 6.468 -2.212 742 HG22 ILE 114 2HG2 ILE 114 -16.327 6.752 -1.751 743 HG23 ILE 114 3HG2 ILE 114 -15.064 7.854 -1.206 744 HD11 ILE 114 3HD1 ILE 114 -14.735 9.195 -5.646 745 HD12 ILE 114 1HD1 ILE 114 -13.405 10.161 -5.005 746 HD13 ILE 114 2HD1 ILE 114 -15.067 10.565 -4.587 747 H GLY 115 H GLY 115 -15.644 8.111 -6.779 748 HA2 GLY 115 1HA GLY 115 -16.955 9.007 -8.446 749 HA3 GLY 115 2HA GLY 115 -18.367 8.498 -7.539 750 H LEU 116 H LEU 116 -17.282 10.118 -5.178 751 HA LEU 116 HA LEU 116 -18.822 12.445 -5.829 752 HB2 LEU 116 1HB LEU 116 -18.329 13.109 -3.466 753 HB3 LEU 116 2HB LEU 116 -19.132 11.567 -3.654 754 HG LEU 116 HG LEU 116 -16.652 10.652 -3.507 755 HD11 LEU 116 1HD1 LEU 116 -16.519 13.233 -1.968 756 HD12 LEU 116 2HD1 LEU 116 -15.581 12.824 -3.402 757 HD13 LEU 116 3HD1 LEU 116 -15.328 11.934 -1.902 758 HD21 LEU 116 3HD2 LEU 116 -18.236 11.546 -1.110 759 HD22 LEU 116 1HD2 LEU 116 -16.988 10.301 -1.127 760 HD23 LEU 116 2HD2 LEU 116 -18.491 10.056 -2.019 Start of MODEL 6 1 H1 LYS 10 1H LYS 10 -42.880 17.259 -21.551 2 H2 LYS 10 2H LYS 10 -43.830 16.180 -22.434 3 H3 LYS 10 3H LYS 10 -43.377 17.657 -23.117 4 HA LYS 10 HA LYS 10 -42.071 15.850 -24.020 5 HB2 LYS 10 1HB LYS 10 -40.527 17.713 -22.203 6 HB3 LYS 10 2HB LYS 10 -39.823 16.783 -23.516 7 HG2 LYS 10 1HG LYS 10 -41.922 18.922 -23.811 8 HG3 LYS 10 2HG LYS 10 -40.202 19.109 -24.148 9 HD2 LYS 10 1HD LYS 10 -42.033 17.161 -25.552 10 HD3 LYS 10 2HD LYS 10 -41.571 18.740 -26.185 11 HE2 LYS 10 1HE LYS 10 -39.243 18.073 -26.241 12 HE3 LYS 10 2HE LYS 10 -39.642 16.524 -25.503 13 HZ1 LYS 10 3HZ LYS 10 -40.933 15.952 -27.451 14 HZ2 LYS 10 1HZ LYS 10 -39.350 16.344 -27.901 15 HZ3 LYS 10 2HZ LYS 10 -40.600 17.453 -28.154 16 H ALA 11 H ALA 11 -39.739 14.828 -23.226 17 HA ALA 11 HA ALA 11 -40.392 13.257 -20.825 18 HB1 ALA 11 3HB ALA 11 -39.148 12.200 -23.362 19 HB2 ALA 11 1HB ALA 11 -40.811 11.931 -22.840 20 HB3 ALA 11 2HB ALA 11 -39.474 11.272 -21.899 21 H MET 12 H MET 12 -39.017 14.916 -19.811 22 HA MET 12 HA MET 12 -36.249 13.986 -19.810 23 HB2 MET 12 1HB MET 12 -35.343 16.259 -19.801 24 HB3 MET 12 2HB MET 12 -36.216 15.929 -21.289 25 HG2 MET 12 1HG MET 12 -38.097 17.216 -20.532 26 HG3 MET 12 2HG MET 12 -37.353 17.439 -18.950 27 HE1 MET 12 3HE MET 12 -35.568 17.585 -22.473 28 HE2 MET 12 1HE MET 12 -35.727 19.300 -22.851 29 HE3 MET 12 2HE MET 12 -37.162 18.279 -22.769 30 H ALA 13 H ALA 13 -38.907 15.599 -18.242 31 HA ALA 13 HA ALA 13 -37.447 15.911 -15.750 32 HB1 ALA 13 3HB ALA 13 -40.336 16.499 -16.387 33 HB2 ALA 13 1HB ALA 13 -39.011 17.661 -16.465 34 HB3 ALA 13 2HB ALA 13 -39.478 16.958 -14.917 35 H ASP 14 H ASP 14 -37.199 14.213 -14.485 36 HA ASP 14 HA ASP 14 -37.523 12.263 -13.378 37 HB2 ASP 14 1HB ASP 14 -39.361 13.644 -12.367 38 HB3 ASP 14 2HB ASP 14 -40.469 12.931 -13.535 39 H ILE 15 H ILE 15 -36.822 11.325 -15.508 40 HA ILE 15 HA ILE 15 -38.972 9.620 -16.576 41 HB ILE 15 HB ILE 15 -37.586 9.400 -18.647 42 HG12 ILE 15 1HG1 ILE 15 -36.110 11.791 -17.524 43 HG13 ILE 15 2HG1 ILE 15 -35.443 10.164 -17.624 44 HG21 ILE 15 1HG2 ILE 15 -38.290 11.558 -19.571 45 HG22 ILE 15 2HG2 ILE 15 -38.567 12.158 -17.935 46 HG23 ILE 15 3HG2 ILE 15 -39.542 10.828 -18.564 47 HD11 ILE 15 3HD1 ILE 15 -34.654 11.570 -19.442 48 HD12 ILE 15 1HD1 ILE 15 -36.316 11.855 -19.955 49 HD13 ILE 15 2HD1 ILE 15 -35.630 10.235 -20.052 50 H GLY 16 H GLY 16 -37.373 9.060 -14.252 51 HA2 GLY 16 1HA GLY 16 -35.468 7.024 -15.039 52 HA3 GLY 16 2HA GLY 16 -35.942 7.438 -13.396 53 H SER 17 H SER 17 -37.949 6.484 -16.143 54 HA SER 17 HA SER 17 -39.401 4.602 -14.538 55 HB2 SER 17 1HB SER 17 -40.544 5.909 -16.262 56 HB3 SER 17 2HB SER 17 -39.507 5.213 -17.505 57 HG SER 17 HG SER 17 -41.614 4.047 -16.068 58 H THR 18 H THR 18 -37.395 4.329 -17.469 59 HA THR 18 HA THR 18 -37.201 1.467 -17.211 60 HB THR 18 HB THR 18 -35.574 3.229 -19.047 61 HG1 THR 18 1HG THR 18 -37.463 3.759 -19.862 62 HG21 THR 18 3HG2 THR 18 -34.887 0.878 -18.910 63 HG22 THR 18 1HG2 THR 18 -35.579 1.246 -20.488 64 HG23 THR 18 2HG2 THR 18 -36.531 0.371 -19.291 65 H ALA 19 H ALA 19 -36.337 1.863 -14.937 66 HA ALA 19 HA ALA 19 -33.414 1.739 -15.040 67 HB1 ALA 19 3HB ALA 19 -33.947 4.036 -14.402 68 HB2 ALA 19 1HB ALA 19 -33.209 3.161 -13.061 69 HB3 ALA 19 2HB ALA 19 -34.951 3.441 -13.079 70 H VAL 20 H VAL 20 -32.604 1.033 -12.761 71 HA VAL 20 HA VAL 20 -34.447 -1.043 -11.762 72 HB VAL 20 HB VAL 20 -31.432 -1.233 -11.764 73 HG11 VAL 20 1HG1 VAL 20 -33.566 -3.319 -11.313 74 HG12 VAL 20 2HG1 VAL 20 -32.566 -2.575 -10.066 75 HG13 VAL 20 3HG1 VAL 20 -31.825 -3.597 -11.297 76 HG21 VAL 20 3HG2 VAL 20 -31.658 -2.800 -13.637 77 HG22 VAL 20 1HG2 VAL 20 -32.206 -1.181 -14.068 78 HG23 VAL 20 2HG2 VAL 20 -33.382 -2.446 -13.719 79 HA PRO 21 HA PRO 21 -33.759 1.733 -8.184 80 HB2 PRO 21 2HB PRO 21 -36.146 0.274 -7.235 81 HB3 PRO 21 1HB PRO 21 -35.866 2.013 -7.355 82 HG2 PRO 21 2HG PRO 21 -37.519 0.757 -9.039 83 HG3 PRO 21 1HG PRO 21 -36.487 2.092 -9.584 84 HD2 PRO 21 2HD PRO 21 -36.117 -0.858 -9.946 85 HD3 PRO 21 1HD PRO 21 -35.837 0.462 -11.102 86 H ARG 22 H ARG 22 -33.949 1.102 -5.732 87 HA ARG 22 HA ARG 22 -32.947 -0.007 -4.025 88 HB2 ARG 22 1HB ARG 22 -33.822 -2.348 -5.701 89 HB3 ARG 22 2HB ARG 22 -32.877 -2.587 -4.244 90 HG2 ARG 22 1HG ARG 22 -35.049 -2.896 -3.528 91 HG3 ARG 22 2HG ARG 22 -34.715 -1.228 -3.074 92 HD2 ARG 22 1HD ARG 22 -35.874 -1.626 -5.754 93 HD3 ARG 22 2HD ARG 22 -36.926 -2.023 -4.398 94 HE ARG 22 HE ARG 22 -35.714 0.499 -3.990 95 HH11 ARG 22 1HH1 ARG 22 -38.184 -1.075 -5.910 96 HH12 ARG 22 2HH1 ARG 22 -39.134 0.367 -6.094 97 HH21 ARG 22 1HH2 ARG 22 -36.977 2.387 -4.213 98 HH22 ARG 22 2HH2 ARG 22 -38.455 2.324 -5.120 99 H ASP 23 H ASP 23 -31.236 1.173 -5.706 100 HA ASP 23 HA ASP 23 -29.261 -0.636 -6.743 101 HB2 ASP 23 1HB ASP 23 -29.639 1.526 -7.822 102 HB3 ASP 23 2HB ASP 23 -29.177 2.363 -6.345 103 H VAL 24 H VAL 24 -28.898 2.017 -4.432 104 HA VAL 24 HA VAL 24 -27.194 2.389 -2.938 105 HB VAL 24 HB VAL 24 -27.481 0.914 -0.895 106 HG11 VAL 24 1HG1 VAL 24 -29.921 2.228 -2.079 107 HG12 VAL 24 2HG1 VAL 24 -28.635 3.036 -1.185 108 HG13 VAL 24 3HG1 VAL 24 -29.673 1.864 -0.372 109 HG21 VAL 24 3HG2 VAL 24 -28.269 -1.117 -2.000 110 HG22 VAL 24 1HG2 VAL 24 -29.706 -0.264 -2.563 111 HG23 VAL 24 2HG2 VAL 24 -29.457 -0.530 -0.838 112 H ASN 25 H ASN 25 -25.721 1.478 -4.825 113 HA ASN 25 HA ASN 25 -24.334 -0.929 -4.420 114 HB2 ASN 25 1HB ASN 25 -24.153 0.394 -6.495 115 HB3 ASN 25 2HB ASN 25 -23.277 1.644 -5.615 116 HD21 ASN 25 2HD2 ASN 25 -23.137 -1.529 -6.987 117 HD22 ASN 25 1HD2 ASN 25 -21.426 -1.745 -6.839 118 H GLY 26 H GLY 26 -23.142 -1.542 -2.751 119 HA2 GLY 26 1HA GLY 26 -21.334 -1.331 -1.243 120 HA3 GLY 26 2HA GLY 26 -21.427 0.416 -1.414 121 H GLY 27 H GLY 27 -24.518 -0.338 -1.095 122 HA2 GLY 27 1HA GLY 27 -26.021 -0.507 0.652 123 HA3 GLY 27 2HA GLY 27 -24.685 -0.905 1.722 124 H THR 28 H THR 28 -23.313 0.872 2.424 125 HA THR 28 HA THR 28 -24.917 3.241 2.999 126 HB THR 28 HB THR 28 -22.171 2.669 4.110 127 HG1 THR 28 1HG THR 28 -23.553 0.806 4.413 128 HG21 THR 28 3HG2 THR 28 -24.590 4.087 5.241 129 HG22 THR 28 1HG2 THR 28 -23.144 4.865 4.597 130 HG23 THR 28 2HG2 THR 28 -23.042 3.885 6.060 131 HA PRO 29 HA PRO 29 -23.242 5.768 -0.210 132 HB2 PRO 29 2HB PRO 29 -22.869 7.722 2.023 133 HB3 PRO 29 1HB PRO 29 -23.533 7.971 0.407 134 HG2 PRO 29 2HG PRO 29 -25.135 7.687 2.525 135 HG3 PRO 29 1HG PRO 29 -25.565 7.019 0.941 136 HD2 PRO 29 2HD PRO 29 -24.703 5.624 3.403 137 HD3 PRO 29 1HD PRO 29 -25.669 5.024 2.043 138 HA PRO 30 HA PRO 30 -18.854 6.785 1.423 139 HB2 PRO 30 2HB PRO 30 -18.484 5.687 4.081 140 HB3 PRO 30 1HB PRO 30 -18.340 7.363 3.553 141 HG2 PRO 30 2HG PRO 30 -20.318 6.469 5.201 142 HG3 PRO 30 1HG PRO 30 -20.494 7.862 4.123 143 HD2 PRO 30 2HD PRO 30 -21.444 5.054 3.759 144 HD3 PRO 30 1HD PRO 30 -22.266 6.579 3.374 145 H LYS 31 H LYS 31 -18.188 5.244 -0.024 146 HA LYS 31 HA LYS 31 -18.084 2.443 0.715 147 HB2 LYS 31 1HB LYS 31 -17.167 3.875 -1.772 148 HB3 LYS 31 2HB LYS 31 -17.198 2.132 -1.565 149 HG2 LYS 31 1HG LYS 31 -19.582 2.109 -1.447 150 HG3 LYS 31 2HG LYS 31 -19.648 3.871 -1.386 151 HD2 LYS 31 1HD LYS 31 -20.215 2.994 -3.612 152 HD3 LYS 31 2HD LYS 31 -18.773 4.011 -3.645 153 HE2 LYS 31 1HE LYS 31 -18.388 2.084 -5.020 154 HE3 LYS 31 2HE LYS 31 -17.386 1.955 -3.577 155 HZ1 LYS 31 3HZ LYS 31 -19.892 0.488 -4.173 156 HZ2 LYS 31 1HZ LYS 31 -19.163 0.497 -2.643 157 HZ3 LYS 31 2HZ LYS 31 -18.338 -0.152 -3.967 158 H SER 32 H SER 32 -16.451 4.235 2.264 159 HA SER 32 HA SER 32 -13.767 4.146 1.278 160 HB2 SER 32 1HB SER 32 -14.657 4.856 4.070 161 HB3 SER 32 2HB SER 32 -13.197 5.378 3.229 162 HG SER 32 HG SER 32 -15.012 6.918 3.326 163 H CYS 33 H CYS 33 -12.240 3.620 3.483 164 HA CYS 33 HA CYS 33 -12.155 0.759 3.362 165 HB2 CYS 33 2HB CYS 33 -10.439 2.799 4.781 166 HB3 CYS 33 1HB CYS 33 -10.119 1.067 4.813 167 H SER 34 H SER 34 -12.362 -0.714 5.003 168 HA SER 34 HA SER 34 -13.901 0.083 7.330 169 HB2 SER 34 1HB SER 34 -13.827 -2.419 7.786 170 HB3 SER 34 2HB SER 34 -14.610 -1.947 6.276 171 HG SER 34 HG SER 34 -13.162 -3.043 5.243 172 H SER 35 H SER 35 -10.681 -0.348 6.444 173 HA SER 35 HA SER 35 -9.637 -1.024 9.036 174 HB2 SER 35 1HB SER 35 -7.442 -0.341 7.790 175 HB3 SER 35 2HB SER 35 -8.293 -1.802 7.288 176 HG SER 35 HG SER 35 -7.607 -0.046 5.658 177 H GLY 36 H GLY 36 -10.887 1.741 7.690 178 HA2 GLY 36 1HA GLY 36 -10.965 3.665 9.267 179 HA3 GLY 36 2HA GLY 36 -9.218 3.482 9.387 180 HA PRO 37 HA PRO 37 -9.368 6.885 6.383 181 HB2 PRO 37 2HB PRO 37 -6.474 6.225 6.460 182 HB3 PRO 37 1HB PRO 37 -7.269 7.793 6.575 183 HG2 PRO 37 2HG PRO 37 -6.244 6.586 8.733 184 HG3 PRO 37 1HG PRO 37 -7.727 7.551 8.821 185 HD2 PRO 37 2HD PRO 37 -7.377 4.608 8.917 186 HD3 PRO 37 1HD PRO 37 -8.630 5.632 9.641 187 H VAL 38 H VAL 38 -9.024 7.071 4.234 188 HA VAL 38 HA VAL 38 -8.438 4.663 2.697 189 HB VAL 38 HB VAL 38 -9.295 7.441 1.811 190 HG11 VAL 38 1HG1 VAL 38 -9.767 6.425 -0.363 191 HG12 VAL 38 2HG1 VAL 38 -9.090 4.898 0.205 192 HG13 VAL 38 3HG1 VAL 38 -8.053 6.318 0.045 193 HG21 VAL 38 3HG2 VAL 38 -11.464 6.403 1.402 194 HG22 VAL 38 1HG2 VAL 38 -10.995 6.273 3.098 195 HG23 VAL 38 2HG2 VAL 38 -10.848 4.875 2.031 196 H TYR 39 H TYR 39 -6.853 5.094 0.739 197 HA TYR 39 HA TYR 39 -4.695 6.816 1.733 198 HB2 TYR 39 2HB TYR 39 -4.364 3.994 0.729 199 HB3 TYR 39 1HB TYR 39 -3.047 5.083 1.135 200 HD1 TYR 39 1HD TYR 39 -2.751 5.824 3.508 201 HD2 TYR 39 2HD TYR 39 -5.528 2.792 2.422 202 HE1 TYR 39 1HE TYR 39 -2.833 5.071 5.846 203 HE2 TYR 39 2HE TYR 39 -5.621 2.033 4.757 204 HH TYR 39 HH TYR 39 -4.283 3.839 7.340 205 H CYS 40 H CYS 40 -3.623 7.961 0.330 206 HA CYS 40 HA CYS 40 -4.356 7.714 -2.510 207 HB2 CYS 40 2HB CYS 40 -5.065 9.806 -1.387 208 HB3 CYS 40 1HB CYS 40 -3.387 10.146 -1.000 209 H CYS 41 H CYS 41 -2.763 6.493 -3.370 210 HA CYS 41 HA CYS 41 0.006 7.014 -2.525 211 HB2 CYS 41 2HB CYS 41 -1.032 4.707 -4.181 212 HB3 CYS 41 1HB CYS 41 0.535 4.833 -3.391 213 H ASN 42 H ASN 42 1.435 7.865 -3.859 214 HA ASN 42 HA ASN 42 0.865 9.202 -6.199 215 HB2 ASN 42 1HB ASN 42 3.440 7.935 -5.270 216 HB3 ASN 42 2HB ASN 42 3.333 8.998 -6.671 217 HD21 ASN 42 2HD2 ASN 42 4.772 10.429 -5.689 218 HD22 ASN 42 1HD2 ASN 42 4.264 11.497 -4.427 219 H LYS 43 H LYS 43 1.631 5.890 -5.669 220 HA LYS 43 HA LYS 43 0.557 5.003 -8.119 221 HB2 LYS 43 1HB LYS 43 2.734 5.796 -8.963 222 HB3 LYS 43 2HB LYS 43 3.554 4.824 -7.752 223 HG2 LYS 43 1HG LYS 43 3.672 3.704 -9.868 224 HG3 LYS 43 2HG LYS 43 2.606 2.792 -8.800 225 HD2 LYS 43 1HD LYS 43 1.646 2.921 -11.023 226 HD3 LYS 43 2HD LYS 43 0.657 3.837 -9.885 227 HE2 LYS 43 1HE LYS 43 1.682 5.910 -10.640 228 HE3 LYS 43 2HE LYS 43 2.726 5.011 -11.736 229 HZ1 LYS 43 3HZ LYS 43 -0.231 5.200 -11.880 230 HZ2 LYS 43 1HZ LYS 43 0.726 4.245 -12.900 231 HZ3 LYS 43 2HZ LYS 43 0.875 5.928 -12.929 232 H THR 44 H THR 44 -0.255 2.979 -7.628 233 HA THR 44 HA THR 44 0.851 1.644 -5.309 234 HB THR 44 HB THR 44 -0.869 -0.130 -5.867 235 HG1 THR 44 1HG THR 44 -2.480 1.503 -7.266 236 HG21 THR 44 3HG2 THR 44 -1.108 1.615 -4.141 237 HG22 THR 44 1HG2 THR 44 -2.646 1.154 -4.866 238 HG23 THR 44 2HG2 THR 44 -1.870 2.667 -5.336 239 H GLU 45 H GLU 45 1.626 -0.460 -5.302 240 HA GLU 45 HA GLU 45 2.853 -1.293 -7.854 241 HB2 GLU 45 1HB GLU 45 4.451 -0.332 -6.178 242 HB3 GLU 45 2HB GLU 45 4.017 -1.638 -5.085 243 HG2 GLU 45 1HG GLU 45 6.116 -2.038 -6.301 244 HG3 GLU 45 2HG GLU 45 4.893 -3.270 -6.596 245 H ASP 46 H ASP 46 2.837 -3.470 -8.330 246 HA ASP 46 HA ASP 46 0.656 -4.938 -7.236 247 HB2 ASP 46 1HB ASP 46 2.780 -5.573 -9.261 248 HB3 ASP 46 2HB ASP 46 1.668 -6.817 -8.698 249 H SER 47 H SER 47 0.712 -5.855 -5.298 250 HA SER 47 HA SER 47 3.108 -6.460 -3.939 251 HB2 SER 47 1HB SER 47 1.696 -7.445 -2.229 252 HB3 SER 47 2HB SER 47 0.980 -5.939 -2.795 253 HG SER 47 HG SER 47 0.143 -8.584 -3.205 254 H LYS 48 H LYS 48 1.542 -8.132 -6.376 255 HA LYS 48 HA LYS 48 2.244 -10.769 -5.656 256 HB2 LYS 48 1HB LYS 48 1.501 -9.505 -8.289 257 HB3 LYS 48 2HB LYS 48 1.839 -11.216 -8.109 258 HG2 LYS 48 1HG LYS 48 -0.451 -11.061 -7.993 259 HG3 LYS 48 2HG LYS 48 0.067 -11.183 -6.318 260 HD2 LYS 48 1HD LYS 48 -1.659 -9.528 -6.461 261 HD3 LYS 48 2HD LYS 48 -0.114 -8.739 -6.126 262 HE2 LYS 48 1HE LYS 48 0.086 -8.013 -8.391 263 HE3 LYS 48 2HE LYS 48 -1.272 -9.013 -8.895 264 HZ1 LYS 48 3HZ LYS 48 -2.786 -7.606 -7.823 265 HZ2 LYS 48 1HZ LYS 48 -1.711 -6.562 -8.612 266 HZ3 LYS 48 2HZ LYS 48 -1.581 -6.809 -6.939 267 H HIS 49 H HIS 49 3.728 -8.154 -7.387 268 HA HIS 49 HA HIS 49 6.274 -9.574 -7.468 269 HB2 HIS 49 1HB HIS 49 4.824 -8.462 -9.854 270 HB3 HIS 49 2HB HIS 49 6.563 -8.672 -9.845 271 HD1 HIS 49 HD1 HIS 49 7.472 -11.077 -10.010 272 HD2 HIS 49 HD2 HIS 49 3.323 -10.835 -10.017 273 HE1 HIS 49 HE1 HIS 49 6.664 -13.346 -10.723 274 HE2 HIS 49 HE2 HIS 49 4.167 -13.105 -10.923 275 H LEU 50 H LEU 50 6.136 -7.759 -5.661 276 HA LEU 50 HA LEU 50 6.550 -5.090 -6.322 277 HB2 LEU 50 1HB LEU 50 7.737 -6.709 -4.085 278 HB3 LEU 50 2HB LEU 50 7.898 -4.983 -4.214 279 HG LEU 50 HG LEU 50 6.190 -5.183 -2.731 280 HD11 LEU 50 1HD1 LEU 50 4.136 -4.531 -3.806 281 HD12 LEU 50 2HD1 LEU 50 4.744 -5.117 -5.351 282 HD13 LEU 50 3HD1 LEU 50 5.516 -3.738 -4.564 283 HD21 LEU 50 3HD2 LEU 50 4.488 -6.813 -2.711 284 HD22 LEU 50 1HD2 LEU 50 6.042 -7.616 -2.934 285 HD23 LEU 50 2HD2 LEU 50 4.962 -7.393 -4.312 286 H ASP 51 H ASP 51 8.439 -3.853 -6.373 287 HA ASP 51 HA ASP 51 10.542 -4.912 -7.997 288 HB2 ASP 51 1HB ASP 51 9.642 -2.544 -8.055 289 HB3 ASP 51 2HB ASP 51 10.460 -2.269 -6.529 290 H LYS 52 H LYS 52 12.881 -4.818 -7.302 291 HA LYS 52 HA LYS 52 13.222 -6.028 -4.781 292 HB2 LYS 52 1HB LYS 52 15.594 -5.879 -5.069 293 HB3 LYS 52 2HB LYS 52 14.858 -6.382 -6.581 294 HG2 LYS 52 1HG LYS 52 15.626 -3.530 -6.048 295 HG3 LYS 52 2HG LYS 52 16.772 -4.706 -6.682 296 HD2 LYS 52 1HD LYS 52 14.125 -4.177 -7.999 297 HD3 LYS 52 2HD LYS 52 15.553 -3.216 -8.357 298 HE2 LYS 52 1HE LYS 52 15.407 -4.897 -10.030 299 HE3 LYS 52 2HE LYS 52 16.733 -5.341 -8.961 300 HZ1 LYS 52 3HZ LYS 52 14.001 -6.479 -8.730 301 HZ2 LYS 52 1HZ LYS 52 15.407 -7.016 -7.962 302 HZ3 LYS 52 2HZ LYS 52 15.236 -7.197 -9.631 303 H GLY 53 H GLY 53 13.388 -2.702 -5.833 304 HA2 GLY 53 1HA GLY 53 14.542 -1.635 -3.474 305 HA3 GLY 53 2HA GLY 53 13.545 -0.753 -4.625 306 H THR 54 H THR 54 11.246 -2.404 -4.401 307 HA THR 54 HA THR 54 10.103 -1.266 -2.026 308 HB THR 54 HB THR 54 8.782 -3.205 -3.928 309 HG1 THR 54 1HG THR 54 9.601 -0.605 -4.310 310 HG21 THR 54 3HG2 THR 54 6.722 -2.029 -3.231 311 HG22 THR 54 1HG2 THR 54 7.676 -1.065 -2.103 312 HG23 THR 54 2HG2 THR 54 7.537 -2.811 -1.872 313 H THR 55 H THR 55 10.755 -4.503 -3.260 314 HA THR 55 HA THR 55 9.972 -6.049 -1.097 315 HB THR 55 HB THR 55 12.428 -6.397 -2.831 316 HG1 THR 55 1HG THR 55 10.672 -6.445 -4.151 317 HG21 THR 55 3HG2 THR 55 12.552 -7.761 -0.814 318 HG22 THR 55 1HG2 THR 55 12.285 -8.769 -2.238 319 HG23 THR 55 2HG2 THR 55 10.945 -8.416 -1.146 320 H ALA 56 H ALA 56 12.858 -4.105 -1.569 321 HA ALA 56 HA ALA 56 14.292 -4.789 0.709 322 HB1 ALA 56 3HB ALA 56 14.080 -2.105 -0.647 323 HB2 ALA 56 1HB ALA 56 15.213 -3.396 -1.048 324 HB3 ALA 56 2HB ALA 56 15.333 -2.569 0.507 325 H LEU 57 H LEU 57 11.927 -2.103 0.366 326 HA LEU 57 HA LEU 57 12.063 -1.217 3.025 327 HB2 LEU 57 1HB LEU 57 9.661 -1.145 1.205 328 HB3 LEU 57 2HB LEU 57 9.826 -0.246 2.695 329 HG LEU 57 HG LEU 57 10.548 1.449 1.467 330 HD11 LEU 57 1HD1 LEU 57 12.903 -0.244 0.685 331 HD12 LEU 57 2HD1 LEU 57 12.742 0.561 2.246 332 HD13 LEU 57 3HD1 LEU 57 12.829 1.516 0.762 333 HD21 LEU 57 3HD2 LEU 57 11.150 -0.321 -0.866 334 HD22 LEU 57 1HD2 LEU 57 10.695 1.382 -0.872 335 HD23 LEU 57 2HD2 LEU 57 9.502 0.146 -0.446 336 H LEU 58 H LEU 58 9.909 -3.508 1.472 337 HA LEU 58 HA LEU 58 8.341 -4.138 3.716 338 HB2 LEU 58 1HB LEU 58 9.087 -6.016 1.487 339 HB3 LEU 58 2HB LEU 58 7.650 -6.078 2.491 340 HG LEU 58 HG LEU 58 8.267 -3.886 0.496 341 HD11 LEU 58 1HD1 LEU 58 6.326 -6.187 0.365 342 HD12 LEU 58 2HD1 LEU 58 7.799 -6.011 -0.592 343 HD13 LEU 58 3HD1 LEU 58 6.463 -4.879 -0.812 344 HD21 LEU 58 3HD2 LEU 58 5.789 -4.442 2.128 345 HD22 LEU 58 1HD2 LEU 58 5.958 -3.195 0.894 346 HD23 LEU 58 2HD2 LEU 58 6.915 -3.107 2.373 347 H GLY 59 H GLY 59 11.292 -5.590 2.432 348 HA2 GLY 59 1HA GLY 59 11.638 -7.564 4.369 349 HA3 GLY 59 2HA GLY 59 12.938 -6.797 3.471 350 H LEU 60 H LEU 60 12.442 -4.120 4.472 351 HA LEU 60 HA LEU 60 13.952 -4.114 6.847 352 HB2 LEU 60 1HB LEU 60 12.040 -1.950 5.964 353 HB3 LEU 60 2HB LEU 60 13.411 -1.763 7.037 354 HG LEU 60 HG LEU 60 13.445 -2.226 4.062 355 HD11 LEU 60 1HD1 LEU 60 13.088 0.069 4.853 356 HD12 LEU 60 2HD1 LEU 60 14.628 -0.122 4.017 357 HD13 LEU 60 3HD1 LEU 60 14.586 -0.029 5.778 358 HD21 LEU 60 3HD2 LEU 60 15.873 -2.307 4.222 359 HD22 LEU 60 1HD2 LEU 60 15.131 -3.643 5.103 360 HD23 LEU 60 2HD2 LEU 60 15.768 -2.251 5.981 361 H LEU 61 H LEU 61 10.533 -3.618 6.267 362 HA LEU 61 HA LEU 61 9.875 -3.577 9.088 363 HB2 LEU 61 1HB LEU 61 8.079 -3.593 6.662 364 HB3 LEU 61 2HB LEU 61 7.590 -3.230 8.307 365 HG LEU 61 HG LEU 61 9.762 -1.549 7.223 366 HD11 LEU 61 1HD1 LEU 61 8.210 -0.154 5.959 367 HD12 LEU 61 2HD1 LEU 61 6.927 -1.332 6.231 368 HD13 LEU 61 3HD1 LEU 61 8.336 -1.770 5.265 369 HD21 LEU 61 3HD2 LEU 61 8.602 0.169 8.425 370 HD22 LEU 61 1HD2 LEU 61 8.710 -1.259 9.456 371 HD23 LEU 61 2HD2 LEU 61 7.190 -0.872 8.640 372 H ASN 62 H ASN 62 10.746 -5.944 7.175 373 HA ASN 62 HA ASN 62 10.548 -8.173 7.050 374 HB2 ASN 62 1HB ASN 62 10.184 -9.404 9.139 375 HB3 ASN 62 2HB ASN 62 11.327 -8.089 9.335 376 HD21 ASN 62 2HD2 ASN 62 10.869 -6.449 10.739 377 HD22 ASN 62 1HD2 ASN 62 9.498 -6.456 11.790 378 H ILE 63 H ILE 63 8.424 -6.798 6.013 379 HA ILE 63 HA ILE 63 5.962 -8.136 6.663 380 HB ILE 63 HB ILE 63 6.720 -6.425 4.287 381 HG12 ILE 63 1HG1 ILE 63 5.000 -5.616 6.616 382 HG13 ILE 63 2HG1 ILE 63 6.754 -5.466 6.687 383 HG21 ILE 63 1HG2 ILE 63 4.314 -6.187 3.921 384 HG22 ILE 63 2HG2 ILE 63 4.000 -7.313 5.241 385 HG23 ILE 63 3HG2 ILE 63 4.822 -7.873 3.783 386 HD11 ILE 63 3HD1 ILE 63 6.758 -3.991 4.819 387 HD12 ILE 63 1HD1 ILE 63 5.604 -3.399 6.014 388 HD13 ILE 63 2HD1 ILE 63 5.028 -4.235 4.568 389 H LYS 64 H LYS 64 5.038 -9.805 5.593 390 HA LYS 64 HA LYS 64 6.777 -11.458 3.996 391 HB2 LYS 64 1HB LYS 64 3.955 -11.777 5.015 392 HB3 LYS 64 2HB LYS 64 4.738 -12.975 4.000 393 HG2 LYS 64 1HG LYS 64 4.813 -13.576 6.348 394 HG3 LYS 64 2HG LYS 64 6.428 -13.347 5.696 395 HD2 LYS 64 1HD LYS 64 6.520 -11.139 6.737 396 HD3 LYS 64 2HD LYS 64 4.887 -11.361 7.365 397 HE2 LYS 64 1HE LYS 64 5.631 -13.245 8.699 398 HE3 LYS 64 2HE LYS 64 7.255 -13.104 8.028 399 HZ1 LYS 64 3HZ LYS 64 7.083 -12.099 10.223 400 HZ2 LYS 64 1HZ LYS 64 5.892 -11.034 9.665 401 HZ3 LYS 64 2HZ LYS 64 7.468 -10.939 9.053 402 H ILE 65 H ILE 65 6.956 -11.190 1.884 403 HA ILE 65 HA ILE 65 5.202 -9.575 0.357 404 HB ILE 65 HB ILE 65 7.505 -11.368 -0.387 405 HG12 ILE 65 1HG1 ILE 65 8.483 -9.208 -1.163 406 HG13 ILE 65 2HG1 ILE 65 7.047 -8.388 -0.571 407 HG21 ILE 65 1HG2 ILE 65 7.324 -10.672 -2.694 408 HG22 ILE 65 2HG2 ILE 65 5.880 -9.737 -2.319 409 HG23 ILE 65 3HG2 ILE 65 5.845 -11.497 -2.202 410 HD11 ILE 65 3HD1 ILE 65 9.050 -9.897 1.095 411 HD12 ILE 65 1HD1 ILE 65 7.602 -9.098 1.707 412 HD13 ILE 65 2HD1 ILE 65 8.897 -8.142 0.978 413 H GLY 66 H GLY 66 5.448 -13.002 0.956 414 HA2 GLY 66 1HA GLY 66 3.613 -13.783 -1.108 415 HA3 GLY 66 2HA GLY 66 4.198 -14.791 0.206 416 H ASP 67 H ASP 67 3.271 -12.605 2.122 417 HA ASP 67 HA ASP 67 0.621 -13.711 2.509 418 HB2 ASP 67 1HB ASP 67 2.196 -13.327 4.407 419 HB3 ASP 67 2HB ASP 67 2.074 -11.596 4.120 420 H LEU 68 H LEU 68 1.954 -11.108 0.884 421 HA LEU 68 HA LEU 68 0.087 -9.066 1.370 422 HB2 LEU 68 1HB LEU 68 1.833 -9.559 -1.036 423 HB3 LEU 68 2HB LEU 68 0.958 -8.074 -0.704 424 HG LEU 68 HG LEU 68 3.155 -9.229 1.010 425 HD11 LEU 68 1HD1 LEU 68 3.132 -6.806 -0.782 426 HD12 LEU 68 2HD1 LEU 68 3.981 -8.319 -1.096 427 HD13 LEU 68 3HD1 LEU 68 4.454 -7.310 0.270 428 HD21 LEU 68 3HD2 LEU 68 2.984 -7.025 2.164 429 HD22 LEU 68 1HD2 LEU 68 1.589 -8.082 2.393 430 HD23 LEU 68 2HD2 LEU 68 1.492 -6.734 1.263 431 H LYS 69 H LYS 69 -1.504 -8.213 -0.016 432 HA LYS 69 HA LYS 69 -3.152 -10.414 -1.006 433 HB2 LYS 69 1HB LYS 69 -3.913 -7.685 0.008 434 HB3 LYS 69 2HB LYS 69 -5.048 -8.923 -0.509 435 HG2 LYS 69 1HG LYS 69 -4.366 -10.376 1.275 436 HG3 LYS 69 2HG LYS 69 -3.077 -9.266 1.741 437 HD2 LYS 69 1HD LYS 69 -4.766 -7.570 2.305 438 HD3 LYS 69 2HD LYS 69 -6.041 -8.710 1.866 439 HE2 LYS 69 1HE LYS 69 -5.291 -10.235 3.620 440 HE3 LYS 69 2HE LYS 69 -3.991 -9.122 4.042 441 HZ1 LYS 69 3HZ LYS 69 -5.597 -7.502 4.734 442 HZ2 LYS 69 1HZ LYS 69 -5.936 -8.962 5.518 443 HZ3 LYS 69 2HZ LYS 69 -6.881 -8.464 4.205 444 H ASP 70 H ASP 70 -3.018 -6.907 -1.770 445 HA ASP 70 HA ASP 70 -3.629 -7.676 -4.548 446 HB2 ASP 70 1HB ASP 70 -4.871 -5.618 -2.783 447 HB3 ASP 70 2HB ASP 70 -4.822 -5.331 -4.516 448 H LEU 71 H LEU 71 -3.150 -4.430 -3.308 449 HA LEU 71 HA LEU 71 -0.622 -4.281 -4.814 450 HB2 LEU 71 1HB LEU 71 -2.699 -2.155 -4.321 451 HB3 LEU 71 2HB LEU 71 -1.079 -1.789 -4.862 452 HG LEU 71 HG LEU 71 -2.148 -1.730 -6.840 453 HD11 LEU 71 1HD1 LEU 71 -0.495 -3.434 -7.111 454 HD12 LEU 71 2HD1 LEU 71 -1.907 -3.815 -8.095 455 HD13 LEU 71 3HD1 LEU 71 -1.630 -4.674 -6.578 456 HD21 LEU 71 3HD2 LEU 71 -4.342 -2.216 -5.796 457 HD22 LEU 71 1HD2 LEU 71 -4.022 -3.936 -6.026 458 HD23 LEU 71 2HD2 LEU 71 -4.164 -2.871 -7.429 459 H VAL 72 H VAL 72 0.864 -2.653 -4.017 460 HA VAL 72 HA VAL 72 0.497 -1.927 -1.188 461 HB VAL 72 HB VAL 72 2.625 -2.404 -0.592 462 HG11 VAL 72 1HG1 VAL 72 2.371 -4.142 -3.026 463 HG12 VAL 72 2HG1 VAL 72 1.934 -4.532 -1.363 464 HG13 VAL 72 3HG1 VAL 72 3.630 -4.336 -1.806 465 HG21 VAL 72 3HG2 VAL 72 3.447 -1.496 -3.320 466 HG22 VAL 72 1HG2 VAL 72 4.588 -2.295 -2.237 467 HG23 VAL 72 2HG2 VAL 72 3.815 -0.784 -1.746 468 H GLY 73 H GLY 73 1.827 0.190 -0.776 469 HA2 GLY 73 1HA GLY 73 1.795 1.835 -3.201 470 HA3 GLY 73 2HA GLY 73 0.825 2.343 -1.830 471 H LEU 74 H LEU 74 3.500 3.162 -3.336 472 HA LEU 74 HA LEU 74 5.121 3.405 -0.927 473 HB2 LEU 74 1HB LEU 74 7.005 3.945 -2.266 474 HB3 LEU 74 2HB LEU 74 6.239 2.535 -2.947 475 HG LEU 74 HG LEU 74 6.989 3.800 -4.765 476 HD11 LEU 74 1HD1 LEU 74 5.003 4.497 -5.968 477 HD12 LEU 74 2HD1 LEU 74 4.074 4.445 -4.469 478 HD13 LEU 74 3HD1 LEU 74 4.766 2.963 -5.132 479 HD21 LEU 74 3HD2 LEU 74 6.527 6.172 -5.116 480 HD22 LEU 74 1HD2 LEU 74 7.465 5.886 -3.650 481 HD23 LEU 74 2HD2 LEU 74 5.743 6.247 -3.537 482 H ASN 75 H ASN 75 5.570 5.217 0.059 483 HA ASN 75 HA ASN 75 5.190 7.302 0.879 484 HB2 ASN 75 1HB ASN 75 5.470 8.122 -2.019 485 HB3 ASN 75 2HB ASN 75 5.702 9.143 -0.604 486 HD21 ASN 75 2HD2 ASN 75 7.100 7.138 0.928 487 HD22 ASN 75 1HD2 ASN 75 8.672 6.990 0.231 488 H CYS 76 H CYS 76 2.914 6.051 0.786 489 HA CYS 76 HA CYS 76 0.945 7.415 -0.827 490 HB2 CYS 76 2HB CYS 76 1.037 4.918 -0.338 491 HB3 CYS 76 1HB CYS 76 0.471 5.310 1.278 492 H SER 77 H SER 77 -0.729 8.640 -0.042 493 HA SER 77 HA SER 77 -0.196 9.894 2.560 494 HB2 SER 77 1HB SER 77 -1.909 10.934 0.291 495 HB3 SER 77 2HB SER 77 -1.363 11.830 1.707 496 HG SER 77 HG SER 77 0.827 11.371 0.909 497 HA PRO 78 HA PRO 78 -3.904 7.705 3.939 498 HB2 PRO 78 2HB PRO 78 -3.337 9.174 6.435 499 HB3 PRO 78 1HB PRO 78 -3.494 7.436 6.166 500 HG2 PRO 78 2HG PRO 78 -1.114 8.566 6.652 501 HG3 PRO 78 1HG PRO 78 -1.284 7.197 5.538 502 HD2 PRO 78 2HD PRO 78 -0.973 10.114 4.927 503 HD3 PRO 78 1HD PRO 78 -0.235 8.710 4.128 504 H LEU 79 H LEU 79 -5.910 8.350 3.685 505 HA LEU 79 HA LEU 79 -6.590 11.191 4.068 506 HB2 LEU 79 1HB LEU 79 -8.294 9.170 2.643 507 HB3 LEU 79 2HB LEU 79 -8.268 10.912 2.449 508 HG LEU 79 HG LEU 79 -6.026 9.098 1.565 509 HD11 LEU 79 1HD1 LEU 79 -8.283 10.274 -0.041 510 HD12 LEU 79 2HD1 LEU 79 -8.025 8.566 0.318 511 HD13 LEU 79 3HD1 LEU 79 -6.879 9.435 -0.700 512 HD21 LEU 79 3HD2 LEU 79 -6.639 11.979 0.930 513 HD22 LEU 79 1HD2 LEU 79 -5.304 11.033 0.274 514 HD23 LEU 79 2HD2 LEU 79 -5.357 11.402 2.000 515 H SER 80 H SER 80 -6.989 11.105 6.292 516 HA SER 80 HA SER 80 -8.553 8.984 7.447 517 HB2 SER 80 1HB SER 80 -8.304 10.432 9.532 518 HB3 SER 80 2HB SER 80 -6.807 9.841 8.806 519 HG SER 80 HG SER 80 -6.704 12.075 9.327 520 H VAL 81 H VAL 81 -9.081 12.359 6.558 521 HA VAL 81 HA VAL 81 -11.785 12.182 7.663 522 HB VAL 81 HB VAL 81 -11.861 14.664 7.277 523 HG11 VAL 81 1HG1 VAL 81 -11.485 13.702 9.471 524 HG12 VAL 81 2HG1 VAL 81 -10.503 15.150 9.274 525 HG13 VAL 81 3HG1 VAL 81 -9.759 13.559 9.138 526 HG21 VAL 81 3HG2 VAL 81 -10.040 14.813 5.633 527 HG22 VAL 81 1HG2 VAL 81 -8.888 14.318 6.871 528 HG23 VAL 81 2HG2 VAL 81 -9.745 15.851 7.028 529 H ILE 82 H ILE 82 -13.022 11.225 6.232 530 HA ILE 82 HA ILE 82 -13.429 12.576 3.666 531 HB ILE 82 HB ILE 82 -13.485 9.597 4.071 532 HG12 ILE 82 1HG1 ILE 82 -11.542 11.504 2.827 533 HG13 ILE 82 2HG1 ILE 82 -11.226 10.166 3.919 534 HG21 ILE 82 1HG2 ILE 82 -13.975 11.224 1.580 535 HG22 ILE 82 2HG2 ILE 82 -15.225 10.427 2.538 536 HG23 ILE 82 3HG2 ILE 82 -14.003 9.464 1.703 537 HD11 ILE 82 3HD1 ILE 82 -10.412 9.689 1.693 538 HD12 ILE 82 1HD1 ILE 82 -12.030 9.936 1.038 539 HD13 ILE 82 2HD1 ILE 82 -11.720 8.588 2.131 540 H GLY 83 H GLY 83 -15.391 13.413 3.681 541 HA2 GLY 83 1HA GLY 83 -17.786 12.181 3.815 542 HA3 GLY 83 2HA GLY 83 -17.413 12.459 5.510 543 H VAL 84 H VAL 84 -16.235 14.865 5.538 544 HA VAL 84 HA VAL 84 -18.286 16.684 4.483 545 HB VAL 84 HB VAL 84 -16.051 17.424 6.380 546 HG11 VAL 84 1HG1 VAL 84 -17.198 19.282 5.302 547 HG12 VAL 84 2HG1 VAL 84 -17.570 19.236 7.025 548 HG13 VAL 84 3HG1 VAL 84 -18.753 18.658 5.852 549 HG21 VAL 84 3HG2 VAL 84 -17.262 15.590 7.409 550 HG22 VAL 84 1HG2 VAL 84 -18.797 16.402 7.098 551 HG23 VAL 84 2HG2 VAL 84 -17.640 17.104 8.230 552 H GLY 85 H GLY 85 -16.847 15.682 2.532 553 HA2 GLY 85 1HA GLY 85 -15.787 16.922 0.708 554 HA3 GLY 85 2HA GLY 85 -14.747 17.661 1.921 555 H GLY 86 H GLY 86 -14.646 15.562 -0.490 556 HA2 GLY 86 1HA GLY 86 -12.784 13.739 0.898 557 HA3 GLY 86 2HA GLY 86 -13.725 13.291 -0.520 558 H ASN 87 H ASN 87 -12.430 16.452 -0.504 559 HA ASN 87 HA ASN 87 -10.609 15.719 -2.654 560 HB2 ASN 87 1HB ASN 87 -11.643 18.365 -1.643 561 HB3 ASN 87 2HB ASN 87 -10.324 18.267 -2.803 562 HD21 ASN 87 2HD2 ASN 87 -11.474 19.295 -4.404 563 HD22 ASN 87 1HD2 ASN 87 -12.793 18.545 -5.237 564 H SER 88 H SER 88 -9.069 14.640 -1.359 565 HA SER 88 HA SER 88 -7.107 16.467 -0.228 566 HB2 SER 88 1HB SER 88 -8.265 14.155 1.348 567 HB3 SER 88 2HB SER 88 -6.839 15.078 1.820 568 HG SER 88 HG SER 88 -8.775 16.808 1.274 569 H CYS 89 H CYS 89 -7.455 14.630 -2.555 570 HA CYS 89 HA CYS 89 -4.920 13.218 -2.252 571 HB2 CYS 89 2HB CYS 89 -6.387 11.439 -1.778 572 HB3 CYS 89 1HB CYS 89 -7.551 11.952 -2.989 573 H SER 90 H SER 90 -3.640 13.705 -3.894 574 HA SER 90 HA SER 90 -4.870 14.524 -6.443 575 HB2 SER 90 1HB SER 90 -2.180 15.345 -5.318 576 HB3 SER 90 2HB SER 90 -2.904 15.927 -6.818 577 HG SER 90 HG SER 90 -4.726 16.553 -5.293 578 H ALA 91 H ALA 91 -3.932 11.842 -5.343 579 HA ALA 91 HA ALA 91 -2.358 11.086 -7.701 580 HB1 ALA 91 3HB ALA 91 -1.792 10.138 -4.890 581 HB2 ALA 91 1HB ALA 91 -0.793 11.250 -5.826 582 HB3 ALA 91 2HB ALA 91 -0.983 9.579 -6.353 583 H GLN 92 H GLN 92 -2.220 8.288 -6.836 584 HA GLN 92 HA GLN 92 -4.862 7.579 -7.730 585 HB2 GLN 92 1HB GLN 92 -3.612 6.037 -8.762 586 HB3 GLN 92 2HB GLN 92 -2.224 6.399 -7.744 587 HG2 GLN 92 1HG GLN 92 -2.742 4.764 -6.228 588 HG3 GLN 92 2HG GLN 92 -4.430 4.689 -6.706 589 HE21 GLN 92 2HE2 GLN 92 -1.804 4.733 -9.006 590 HE22 GLN 92 1HE2 GLN 92 -2.019 3.103 -9.557 591 H THR 93 H THR 93 -6.491 6.847 -6.506 592 HA THR 93 HA THR 93 -5.990 6.778 -3.625 593 HB THR 93 HB THR 93 -8.774 6.775 -4.644 594 HG1 THR 93 1HG THR 93 -6.893 8.834 -5.134 595 HG21 THR 93 3HG2 THR 93 -7.279 8.324 -2.524 596 HG22 THR 93 1HG2 THR 93 -8.284 6.899 -2.258 597 HG23 THR 93 2HG2 THR 93 -9.021 8.408 -2.806 598 H VAL 94 H VAL 94 -5.939 4.912 -2.643 599 HA VAL 94 HA VAL 94 -7.557 2.686 -3.676 600 HB VAL 94 HB VAL 94 -5.696 1.137 -2.965 601 HG11 VAL 94 1HG1 VAL 94 -5.115 3.015 -5.251 602 HG12 VAL 94 2HG1 VAL 94 -6.167 1.602 -5.308 603 HG13 VAL 94 3HG1 VAL 94 -4.442 1.400 -5.039 604 HG21 VAL 94 3HG2 VAL 94 -4.441 2.684 -1.584 605 HG22 VAL 94 1HG2 VAL 94 -4.105 3.698 -2.987 606 HG23 VAL 94 2HG2 VAL 94 -3.427 2.073 -2.891 607 H CYS 95 H CYS 95 -7.854 0.963 -2.098 608 HA CYS 95 HA CYS 95 -7.988 2.010 0.647 609 HB2 CYS 95 2HB CYS 95 -10.153 1.398 -0.487 610 HB3 CYS 95 1HB CYS 95 -9.582 -0.266 -0.557 611 H CYS 96 H CYS 96 -6.420 1.226 1.900 612 HA CYS 96 HA CYS 96 -5.210 -1.354 1.180 613 HB2 CYS 96 2HB CYS 96 -3.979 0.895 2.782 614 HB3 CYS 96 1HB CYS 96 -3.160 -0.540 2.171 615 H THR 97 H THR 97 -4.585 -2.806 2.838 616 HA THR 97 HA THR 97 -6.620 -2.907 4.891 617 HB THR 97 HB THR 97 -6.009 -4.925 3.593 618 HG1 THR 97 1HG THR 97 -5.745 -4.878 6.408 619 HG21 THR 97 3HG2 THR 97 -3.583 -4.490 3.410 620 HG22 THR 97 1HG2 THR 97 -3.933 -6.107 4.023 621 HG23 THR 97 2HG2 THR 97 -3.412 -4.838 5.130 622 H ASN 98 H ASN 98 -3.262 -2.176 4.630 623 HA ASN 98 HA ASN 98 -3.190 -1.230 7.356 624 HB2 ASN 98 1HB ASN 98 -1.370 -3.453 6.407 625 HB3 ASN 98 2HB ASN 98 -0.970 -2.422 7.772 626 HD21 ASN 98 2HD2 ASN 98 -2.200 -2.582 9.664 627 HD22 ASN 98 1HD2 ASN 98 -3.178 -3.973 9.998 628 H THR 99 H THR 99 -1.170 0.019 7.738 629 HA THR 99 HA THR 99 0.238 0.740 5.277 630 HB THR 99 HB THR 99 -1.409 2.486 5.520 631 HG1 THR 99 1HG THR 99 0.682 3.172 4.880 632 HG21 THR 99 3HG2 THR 99 -1.508 3.922 7.513 633 HG22 THR 99 1HG2 THR 99 -0.331 2.881 8.313 634 HG23 THR 99 2HG2 THR 99 -1.923 2.251 7.893 635 H TYR 100 H TYR 100 2.356 0.984 5.509 636 HA TYR 100 HA TYR 100 3.419 0.933 8.261 637 HB2 TYR 100 2HB TYR 100 4.674 -0.291 5.787 638 HB3 TYR 100 1HB TYR 100 5.362 -0.294 7.405 639 HD1 TYR 100 2HD TYR 100 4.352 -1.666 9.182 640 HD2 TYR 100 1HD TYR 100 2.952 -1.835 5.173 641 HE1 TYR 100 2HE TYR 100 3.213 -3.784 9.679 642 HE2 TYR 100 1HE TYR 100 1.809 -3.955 5.658 643 HH TYR 100 HH TYR 100 2.066 -5.847 7.317 644 H GLN 101 H GLN 101 5.241 2.159 8.696 645 HA GLN 101 HA GLN 101 6.694 3.887 8.534 646 HB2 GLN 101 1HB GLN 101 6.538 2.974 5.683 647 HB3 GLN 101 2HB GLN 101 7.514 4.366 6.131 648 HG2 GLN 101 1HG GLN 101 7.834 1.777 7.572 649 HG3 GLN 101 2HG GLN 101 8.611 2.044 6.012 650 HE21 GLN 101 2HE2 GLN 101 10.219 3.528 5.826 651 HE22 GLN 101 1HE2 GLN 101 10.983 4.277 7.173 652 H HIS 102 H HIS 102 3.780 4.263 8.328 653 HA HIS 102 HA HIS 102 2.322 5.976 8.276 654 HB2 HIS 102 1HB HIS 102 4.857 7.585 8.043 655 HB3 HIS 102 2HB HIS 102 3.264 8.326 8.151 656 HD1 HIS 102 HD1 HIS 102 2.524 8.864 10.451 657 HD2 HIS 102 HD2 HIS 102 5.332 5.799 10.404 658 HE1 HIS 102 HE1 HIS 102 2.982 8.328 12.863 659 HE2 HIS 102 HE2 HIS 102 4.506 6.324 12.798 660 H GLY 103 H GLY 103 3.739 4.843 5.656 661 HA2 GLY 103 1HA GLY 103 1.874 5.232 3.856 662 HA3 GLY 103 2HA GLY 103 2.616 6.824 3.823 663 H LEU 104 H LEU 104 5.304 5.562 4.348 664 HA LEU 104 HA LEU 104 6.306 5.565 1.803 665 HB2 LEU 104 1HB LEU 104 7.445 3.840 3.991 666 HB3 LEU 104 2HB LEU 104 8.301 4.532 2.631 667 HG LEU 104 HG LEU 104 7.264 5.947 5.078 668 HD11 LEU 104 1HD1 LEU 104 9.985 5.715 3.821 669 HD12 LEU 104 2HD1 LEU 104 9.430 4.911 5.287 670 HD13 LEU 104 3HD1 LEU 104 9.592 6.663 5.255 671 HD21 LEU 104 3HD2 LEU 104 6.668 7.335 3.200 672 HD22 LEU 104 1HD2 LEU 104 8.303 7.189 2.549 673 HD23 LEU 104 2HD2 LEU 104 8.036 8.030 4.073 674 H VAL 105 H VAL 105 5.175 2.718 3.614 675 HA VAL 105 HA VAL 105 4.667 1.419 1.020 676 HB VAL 105 HB VAL 105 5.259 -0.790 2.323 677 HG11 VAL 105 1HG1 VAL 105 7.464 -0.755 1.319 678 HG12 VAL 105 2HG1 VAL 105 7.392 1.001 1.177 679 HG13 VAL 105 3HG1 VAL 105 6.287 -0.007 0.238 680 HG21 VAL 105 3HG2 VAL 105 5.792 0.403 4.425 681 HG22 VAL 105 1HG2 VAL 105 7.146 1.176 3.606 682 HG23 VAL 105 2HG2 VAL 105 7.126 -0.575 3.822 683 H ASN 106 H ASN 106 2.614 1.036 0.917 684 HA ASN 106 HA ASN 106 1.113 0.330 3.349 685 HB2 ASN 106 1HB ASN 106 0.224 1.506 0.715 686 HB3 ASN 106 2HB ASN 106 -0.902 0.847 1.894 687 HD21 ASN 106 2HD2 ASN 106 -1.828 2.950 1.943 688 HD22 ASN 106 1HD2 ASN 106 -1.117 4.186 2.919 689 H VAL 107 H VAL 107 -0.661 -1.299 2.982 690 HA VAL 107 HA VAL 107 0.105 -3.276 0.946 691 HB VAL 107 HB VAL 107 -0.269 -5.091 2.631 692 HG11 VAL 107 1HG1 VAL 107 2.057 -3.230 3.125 693 HG12 VAL 107 2HG1 VAL 107 1.976 -4.490 1.892 694 HG13 VAL 107 3HG1 VAL 107 1.984 -4.927 3.600 695 HG21 VAL 107 3HG2 VAL 107 -1.446 -3.756 4.302 696 HG22 VAL 107 1HG2 VAL 107 0.031 -2.844 4.612 697 HG23 VAL 107 2HG2 VAL 107 -0.039 -4.567 4.990 698 H GLY 108 H GLY 108 -1.474 -4.822 0.418 699 HA2 GLY 108 1HA GLY 108 -3.590 -5.537 -0.083 700 HA3 GLY 108 2HA GLY 108 -4.023 -5.049 1.548 701 H CYS 109 H CYS 109 -3.038 -3.321 -1.388 702 HA CYS 109 HA CYS 109 -5.107 -1.340 -0.806 703 HB2 CYS 109 2HB CYS 109 -2.760 -1.250 -2.705 704 HB3 CYS 109 1HB CYS 109 -3.873 0.074 -2.415 705 H THR 110 H THR 110 -6.894 -1.207 -1.960 706 HA THR 110 HA THR 110 -6.926 -2.351 -4.673 707 HB THR 110 HB THR 110 -9.416 -2.716 -4.240 708 HG1 THR 110 1HG THR 110 -8.691 -2.785 -1.504 709 HG21 THR 110 3HG2 THR 110 -7.827 -4.564 -4.365 710 HG22 THR 110 1HG2 THR 110 -9.047 -4.870 -3.131 711 HG23 THR 110 2HG2 THR 110 -7.431 -4.349 -2.661 712 HA PRO 111 HA PRO 111 -7.858 1.841 -5.950 713 HB2 PRO 111 2HB PRO 111 -9.205 0.317 -8.134 714 HB3 PRO 111 1HB PRO 111 -8.079 1.676 -8.236 715 HG2 PRO 111 2HG PRO 111 -7.234 -0.782 -8.764 716 HG3 PRO 111 1HG PRO 111 -6.218 0.338 -7.838 717 HD2 PRO 111 2HD PRO 111 -7.851 -1.974 -6.884 718 HD3 PRO 111 1HD PRO 111 -6.266 -1.402 -6.327 719 H ILE 112 H ILE 112 -9.364 2.779 -4.741 720 HA ILE 112 HA ILE 112 -11.989 1.573 -4.462 721 HB ILE 112 HB ILE 112 -10.990 2.330 -2.409 722 HG12 ILE 112 1HG1 ILE 112 -13.220 4.183 -3.273 723 HG13 ILE 112 2HG1 ILE 112 -13.405 2.587 -2.560 724 HG21 ILE 112 1HG2 ILE 112 -10.451 4.687 -1.994 725 HG22 ILE 112 2HG2 ILE 112 -10.798 5.049 -3.684 726 HG23 ILE 112 3HG2 ILE 112 -9.454 3.985 -3.267 727 HD11 ILE 112 3HD1 ILE 112 -12.415 3.403 -0.480 728 HD12 ILE 112 1HD1 ILE 112 -13.851 4.322 -0.933 729 HD13 ILE 112 2HD1 ILE 112 -12.245 5.004 -1.197 730 H ASN 113 H ASN 113 -13.800 2.305 -5.352 731 HA ASN 113 HA ASN 113 -13.673 4.832 -6.853 732 HB2 ASN 113 1HB ASN 113 -15.263 2.329 -7.433 733 HB3 ASN 113 2HB ASN 113 -15.482 3.852 -8.289 734 HD21 ASN 113 2HD2 ASN 113 -13.355 1.159 -7.721 735 HD22 ASN 113 1HD2 ASN 113 -12.317 1.440 -9.077 736 H ILE 114 H ILE 114 -14.523 6.274 -5.502 737 HA ILE 114 HA ILE 114 -16.660 5.655 -3.722 738 HB ILE 114 HB ILE 114 -16.651 8.350 -3.647 739 HG12 ILE 114 1HG1 ILE 114 -14.307 9.122 -3.799 740 HG13 ILE 114 2HG1 ILE 114 -13.837 7.559 -4.452 741 HG21 ILE 114 1HG2 ILE 114 -15.105 8.129 -1.750 742 HG22 ILE 114 2HG2 ILE 114 -14.706 6.497 -2.286 743 HG23 ILE 114 3HG2 ILE 114 -16.343 6.875 -1.758 744 HD11 ILE 114 3HD1 ILE 114 -15.417 8.033 -6.356 745 HD12 ILE 114 1HD1 ILE 114 -13.972 9.039 -6.268 746 HD13 ILE 114 2HD1 ILE 114 -15.524 9.678 -5.735 747 H GLY 115 H GLY 115 -16.521 6.708 -6.975 748 HA2 GLY 115 1HA GLY 115 -18.258 6.768 -8.494 749 HA3 GLY 115 2HA GLY 115 -19.378 6.466 -7.179 750 H LEU 116 H LEU 116 -17.476 9.039 -6.341 751 HA LEU 116 HA LEU 116 -19.526 10.914 -7.275 752 HB2 LEU 116 1HB LEU 116 -18.815 12.362 -5.376 753 HB3 LEU 116 2HB LEU 116 -19.540 10.843 -4.897 754 HG LEU 116 HG LEU 116 -17.026 10.065 -4.722 755 HD11 LEU 116 1HD1 LEU 116 -16.804 13.040 -4.302 756 HD12 LEU 116 2HD1 LEU 116 -16.054 12.118 -5.606 757 HD13 LEU 116 3HD1 LEU 116 -15.560 11.845 -3.934 758 HD21 LEU 116 3HD2 LEU 116 -18.643 10.111 -2.897 759 HD22 LEU 116 1HD2 LEU 116 -18.332 11.832 -2.666 760 HD23 LEU 116 2HD2 LEU 116 -17.049 10.654 -2.371 Start of MODEL 7 1 H1 LYS 10 1H LYS 10 -21.618 -14.804 12.495 2 H2 LYS 10 2H LYS 10 -20.189 -13.951 12.778 3 H3 LYS 10 3H LYS 10 -21.643 -13.411 13.449 4 HA LYS 10 HA LYS 10 -20.261 -15.940 14.111 5 HB2 LYS 10 1HB LYS 10 -20.594 -13.370 15.668 6 HB3 LYS 10 2HB LYS 10 -19.963 -14.863 16.346 7 HG2 LYS 10 1HG LYS 10 -18.077 -14.793 14.839 8 HG3 LYS 10 2HG LYS 10 -18.729 -13.359 14.049 9 HD2 LYS 10 1HD LYS 10 -17.964 -13.502 16.962 10 HD3 LYS 10 2HD LYS 10 -16.919 -12.876 15.686 11 HE2 LYS 10 1HE LYS 10 -19.615 -11.788 16.486 12 HE3 LYS 10 2HE LYS 10 -18.051 -11.060 16.841 13 HZ1 LYS 10 3HZ LYS 10 -18.999 -9.954 14.972 14 HZ2 LYS 10 1HZ LYS 10 -19.281 -11.413 14.163 15 HZ3 LYS 10 2HZ LYS 10 -17.698 -10.877 14.412 16 H ALA 11 H ALA 11 -21.212 -17.011 16.000 17 HA ALA 11 HA ALA 11 -24.141 -16.691 16.001 18 HB1 ALA 11 3HB ALA 11 -22.511 -19.149 16.636 19 HB2 ALA 11 1HB ALA 11 -23.337 -18.832 15.110 20 HB3 ALA 11 2HB ALA 11 -24.271 -19.048 16.591 21 H MET 12 H MET 12 -22.276 -15.182 17.655 22 HA MET 12 HA MET 12 -22.417 -16.253 20.319 23 HB2 MET 12 1HB MET 12 -20.568 -14.787 19.693 24 HB3 MET 12 2HB MET 12 -21.695 -13.490 19.321 25 HG2 MET 12 1HG MET 12 -22.390 -13.459 21.684 26 HG3 MET 12 2HG MET 12 -21.176 -14.689 22.030 27 HE1 MET 12 3HE MET 12 -20.081 -13.211 23.905 28 HE2 MET 12 1HE MET 12 -21.315 -11.984 23.630 29 HE3 MET 12 2HE MET 12 -19.613 -11.526 23.677 30 H ALA 13 H ALA 13 -23.938 -13.541 18.622 31 HA ALA 13 HA ALA 13 -25.918 -13.275 20.735 32 HB1 ALA 13 3HB ALA 13 -26.692 -11.322 19.483 33 HB2 ALA 13 1HB ALA 13 -25.565 -11.700 18.182 34 HB3 ALA 13 2HB ALA 13 -24.954 -11.241 19.771 35 H ASP 14 H ASP 14 -26.539 -15.562 20.157 36 HA ASP 14 HA ASP 14 -27.931 -16.063 17.720 37 HB2 ASP 14 1HB ASP 14 -28.598 -18.173 18.756 38 HB3 ASP 14 2HB ASP 14 -26.889 -17.867 19.045 39 H ILE 15 H ILE 15 -28.834 -14.831 20.846 40 HA ILE 15 HA ILE 15 -31.673 -14.987 20.313 41 HB ILE 15 HB ILE 15 -30.259 -13.438 22.498 42 HG12 ILE 15 1HG1 ILE 15 -29.662 -15.822 22.581 43 HG13 ILE 15 2HG1 ILE 15 -30.686 -15.374 23.940 44 HG21 ILE 15 1HG2 ILE 15 -33.099 -14.444 22.307 45 HG22 ILE 15 2HG2 ILE 15 -32.583 -12.766 22.132 46 HG23 ILE 15 3HG2 ILE 15 -32.392 -13.591 23.679 47 HD11 ILE 15 3HD1 ILE 15 -31.580 -16.802 21.446 48 HD12 ILE 15 1HD1 ILE 15 -32.615 -16.348 22.800 49 HD13 ILE 15 2HD1 ILE 15 -31.326 -17.529 23.031 50 H GLY 16 H GLY 16 -29.188 -13.108 19.238 51 HA2 GLY 16 1HA GLY 16 -30.778 -10.665 18.968 52 HA3 GLY 16 2HA GLY 16 -29.074 -10.842 18.567 53 H SER 17 H SER 17 -31.959 -12.683 17.627 54 HA SER 17 HA SER 17 -31.086 -12.847 14.907 55 HB2 SER 17 1HB SER 17 -32.390 -14.649 16.020 56 HB3 SER 17 2HB SER 17 -33.772 -13.561 16.114 57 HG SER 17 HG SER 17 -32.876 -15.051 14.031 58 H THR 18 H THR 18 -33.966 -11.404 16.436 59 HA THR 18 HA THR 18 -34.233 -9.620 14.134 60 HB THR 18 HB THR 18 -36.435 -9.031 15.116 61 HG1 THR 18 1HG THR 18 -36.404 -11.164 16.886 62 HG21 THR 18 3HG2 THR 18 -35.990 -12.003 14.833 63 HG22 THR 18 1HG2 THR 18 -36.236 -10.876 13.500 64 HG23 THR 18 2HG2 THR 18 -37.530 -11.161 14.665 65 H ALA 19 H ALA 19 -33.922 -9.604 17.646 66 HA ALA 19 HA ALA 19 -33.632 -6.736 17.786 67 HB1 ALA 19 3HB ALA 19 -34.698 -7.984 19.609 68 HB2 ALA 19 1HB ALA 19 -33.280 -7.095 20.170 69 HB3 ALA 19 2HB ALA 19 -33.183 -8.837 19.906 70 H VAL 20 H VAL 20 -31.865 -7.154 16.065 71 HA VAL 20 HA VAL 20 -29.272 -7.494 17.406 72 HB VAL 20 HB VAL 20 -29.583 -9.147 15.660 73 HG11 VAL 20 1HG1 VAL 20 -31.246 -8.017 14.300 74 HG12 VAL 20 2HG1 VAL 20 -29.876 -8.516 13.307 75 HG13 VAL 20 3HG1 VAL 20 -30.050 -6.829 13.788 76 HG21 VAL 20 3HG2 VAL 20 -27.335 -8.278 15.950 77 HG22 VAL 20 1HG2 VAL 20 -27.664 -6.986 14.796 78 HG23 VAL 20 2HG2 VAL 20 -27.630 -8.664 14.255 79 HA PRO 21 HA PRO 21 -28.687 -3.103 16.755 80 HB2 PRO 21 2HB PRO 21 -25.830 -3.827 17.021 81 HB3 PRO 21 1HB PRO 21 -26.785 -2.661 17.942 82 HG2 PRO 21 2HG PRO 21 -26.037 -4.987 19.021 83 HG3 PRO 21 1HG PRO 21 -27.621 -4.274 19.374 84 HD2 PRO 21 2HD PRO 21 -26.923 -6.527 17.537 85 HD3 PRO 21 1HD PRO 21 -28.318 -6.342 18.620 86 H ARG 22 H ARG 22 -28.915 -2.420 14.723 87 HA ARG 22 HA ARG 22 -27.093 -3.454 12.650 88 HB2 ARG 22 1HB ARG 22 -29.736 -2.048 12.244 89 HB3 ARG 22 2HB ARG 22 -28.790 -2.905 11.036 90 HG2 ARG 22 1HG ARG 22 -29.218 -5.009 12.150 91 HG3 ARG 22 2HG ARG 22 -30.105 -4.174 13.426 92 HD2 ARG 22 1HD ARG 22 -31.629 -3.305 11.596 93 HD3 ARG 22 2HD ARG 22 -30.850 -4.473 10.530 94 HE ARG 22 HE ARG 22 -31.949 -5.528 13.001 95 HH11 ARG 22 1HH1 ARG 22 -32.392 -4.969 9.584 96 HH12 ARG 22 2HH1 ARG 22 -33.663 -6.136 9.422 97 HH21 ARG 22 1HH2 ARG 22 -33.648 -7.051 12.808 98 HH22 ARG 22 2HH2 ARG 22 -34.380 -7.319 11.261 99 H ASP 23 H ASP 23 -26.386 -1.365 14.509 100 HA ASP 23 HA ASP 23 -26.748 1.213 13.459 101 HB2 ASP 23 1HB ASP 23 -24.928 1.894 14.942 102 HB3 ASP 23 2HB ASP 23 -26.029 0.807 15.775 103 H VAL 24 H VAL 24 -25.629 2.442 12.072 104 HA VAL 24 HA VAL 24 -24.357 3.001 10.292 105 HB VAL 24 HB VAL 24 -22.321 1.096 11.462 106 HG11 VAL 24 1HG1 VAL 24 -21.992 3.377 9.511 107 HG12 VAL 24 2HG1 VAL 24 -21.845 1.659 9.136 108 HG13 VAL 24 3HG1 VAL 24 -20.683 2.428 10.218 109 HG21 VAL 24 3HG2 VAL 24 -22.974 2.790 13.077 110 HG22 VAL 24 1HG2 VAL 24 -22.701 4.060 11.884 111 HG23 VAL 24 2HG2 VAL 24 -21.344 3.107 12.483 112 H ASN 25 H ASN 25 -25.646 2.172 8.693 113 HA ASN 25 HA ASN 25 -25.371 -0.576 7.839 114 HB2 ASN 25 1HB ASN 25 -27.550 0.574 7.692 115 HB3 ASN 25 2HB ASN 25 -26.860 1.731 6.561 116 HD21 ASN 25 2HD2 ASN 25 -27.984 -1.513 7.014 117 HD22 ASN 25 1HD2 ASN 25 -28.008 -1.958 5.341 118 H GLY 26 H GLY 26 -24.500 2.631 6.636 119 HA2 GLY 26 1HA GLY 26 -22.120 2.457 5.637 120 HA3 GLY 26 2HA GLY 26 -22.921 1.384 4.496 121 H GLY 27 H GLY 27 -23.858 2.235 2.759 122 HA2 GLY 27 1HA GLY 27 -24.647 3.777 1.262 123 HA3 GLY 27 2HA GLY 27 -25.147 4.731 2.650 124 H THR 28 H THR 28 -24.489 6.718 2.272 125 HA THR 28 HA THR 28 -23.135 8.522 2.022 126 HB THR 28 HB THR 28 -20.731 6.729 2.117 127 HG1 THR 28 1HG THR 28 -22.619 6.801 3.947 128 HG21 THR 28 3HG2 THR 28 -19.752 8.684 3.293 129 HG22 THR 28 1HG2 THR 28 -21.250 9.562 2.994 130 HG23 THR 28 2HG2 THR 28 -20.251 9.035 1.639 131 HA PRO 29 HA PRO 29 -22.982 8.387 -2.435 132 HB2 PRO 29 2HB PRO 29 -21.939 11.126 -2.023 133 HB3 PRO 29 1HB PRO 29 -23.303 10.573 -2.991 134 HG2 PRO 29 2HG PRO 29 -23.605 11.840 -0.614 135 HG3 PRO 29 1HG PRO 29 -24.758 10.647 -1.230 136 HD2 PRO 29 2HD PRO 29 -22.768 10.392 0.955 137 HD3 PRO 29 1HD PRO 29 -24.296 9.532 0.701 138 HA PRO 30 HA PRO 30 -18.235 9.026 -2.615 139 HB2 PRO 30 2HB PRO 30 -16.890 9.839 -0.456 140 HB3 PRO 30 1HB PRO 30 -17.563 10.985 -1.616 141 HG2 PRO 30 2HG PRO 30 -18.628 10.124 1.039 142 HG3 PRO 30 1HG PRO 30 -18.562 11.750 0.337 143 HD2 PRO 30 2HD PRO 30 -20.815 10.222 0.329 144 HD3 PRO 30 1HD PRO 30 -20.447 11.417 -0.923 145 H LYS 31 H LYS 31 -18.050 6.860 -2.683 146 HA LYS 31 HA LYS 31 -18.519 5.121 -0.505 147 HB2 LYS 31 1HB LYS 31 -16.934 4.568 -3.005 148 HB3 LYS 31 2HB LYS 31 -17.656 3.371 -1.943 149 HG2 LYS 31 1HG LYS 31 -19.871 4.104 -2.548 150 HG3 LYS 31 2HG LYS 31 -19.203 5.410 -3.529 151 HD2 LYS 31 1HD LYS 31 -18.116 3.739 -4.973 152 HD3 LYS 31 2HD LYS 31 -18.844 2.452 -4.009 153 HE2 LYS 31 1HE LYS 31 -21.061 3.202 -4.627 154 HE3 LYS 31 2HE LYS 31 -20.380 4.569 -5.505 155 HZ1 LYS 31 3HZ LYS 31 -19.975 1.707 -6.183 156 HZ2 LYS 31 1HZ LYS 31 -19.319 3.018 -7.023 157 HZ3 LYS 31 2HZ LYS 31 -20.990 2.781 -7.001 158 H SER 32 H SER 32 -17.211 4.387 1.060 159 HA SER 32 HA SER 32 -14.335 4.420 0.736 160 HB2 SER 32 1HB SER 32 -15.632 5.975 2.987 161 HB3 SER 32 2HB SER 32 -13.903 5.724 2.751 162 HG SER 32 HG SER 32 -14.950 6.711 0.499 163 H CYS 33 H CYS 33 -13.248 3.188 2.388 164 HA CYS 33 HA CYS 33 -14.811 0.921 3.177 165 HB2 CYS 33 2HB CYS 33 -11.921 1.575 3.799 166 HB3 CYS 33 1HB CYS 33 -12.689 -0.000 3.961 167 H SER 34 H SER 34 -15.514 0.362 5.161 168 HA SER 34 HA SER 34 -15.402 2.402 7.234 169 HB2 SER 34 1HB SER 34 -16.941 -0.203 7.143 170 HB3 SER 34 2HB SER 34 -17.156 1.092 8.322 171 HG SER 34 HG SER 34 -17.615 2.449 6.401 172 H SER 35 H SER 35 -13.565 -0.168 6.329 173 HA SER 35 HA SER 35 -12.921 -1.278 8.877 174 HB2 SER 35 1HB SER 35 -10.884 -2.123 7.541 175 HB3 SER 35 2HB SER 35 -12.479 -2.670 7.021 176 HG SER 35 HG SER 35 -11.578 -1.984 5.174 177 H GLY 36 H GLY 36 -11.868 1.448 7.004 178 HA2 GLY 36 1HA GLY 36 -10.774 2.876 9.079 179 HA3 GLY 36 2HA GLY 36 -9.440 1.938 8.419 180 HA PRO 37 HA PRO 37 -9.939 6.220 6.233 181 HB2 PRO 37 2HB PRO 37 -7.032 5.781 6.546 182 HB3 PRO 37 1HB PRO 37 -7.970 7.257 6.731 183 HG2 PRO 37 2HG PRO 37 -7.023 5.704 8.811 184 HG3 PRO 37 1HG PRO 37 -8.335 6.884 8.929 185 HD2 PRO 37 2HD PRO 37 -8.481 4.021 9.156 186 HD3 PRO 37 1HD PRO 37 -9.781 5.215 9.321 187 H VAL 38 H VAL 38 -9.444 6.586 4.155 188 HA VAL 38 HA VAL 38 -8.615 4.315 2.530 189 HB VAL 38 HB VAL 38 -9.748 7.034 1.817 190 HG11 VAL 38 1HG1 VAL 38 -8.223 6.292 0.057 191 HG12 VAL 38 2HG1 VAL 38 -9.904 6.256 -0.483 192 HG13 VAL 38 3HG1 VAL 38 -9.085 4.757 -0.042 193 HG21 VAL 38 3HG2 VAL 38 -10.904 4.261 1.644 194 HG22 VAL 38 1HG2 VAL 38 -11.707 5.744 1.124 195 HG23 VAL 38 2HG2 VAL 38 -11.330 5.495 2.832 196 H TYR 39 H TYR 39 -6.927 4.710 0.821 197 HA TYR 39 HA TYR 39 -4.966 6.669 1.817 198 HB2 TYR 39 2HB TYR 39 -4.406 3.895 0.769 199 HB3 TYR 39 1HB TYR 39 -3.176 5.081 1.178 200 HD1 TYR 39 2HD TYR 39 -5.771 2.859 2.548 201 HD2 TYR 39 1HD TYR 39 -2.590 5.530 3.458 202 HE1 TYR 39 2HE TYR 39 -5.788 2.074 4.876 203 HE2 TYR 39 1HE TYR 39 -2.597 4.752 5.791 204 HH TYR 39 HH TYR 39 -4.142 3.689 7.367 205 H CYS 40 H CYS 40 -3.952 7.899 0.407 206 HA CYS 40 HA CYS 40 -4.668 7.578 -2.429 207 HB2 CYS 40 2HB CYS 40 -5.426 9.669 -1.264 208 HB3 CYS 40 1HB CYS 40 -3.736 10.085 -1.021 209 H CYS 41 H CYS 41 -3.017 6.402 -3.286 210 HA CYS 41 HA CYS 41 -0.274 7.055 -2.440 211 HB2 CYS 41 2HB CYS 41 -1.234 4.688 -4.065 212 HB3 CYS 41 1HB CYS 41 0.360 4.897 -3.345 213 H ASN 42 H ASN 42 1.200 7.815 -3.842 214 HA ASN 42 HA ASN 42 0.369 9.197 -6.134 215 HB2 ASN 42 1HB ASN 42 3.063 8.369 -5.098 216 HB3 ASN 42 2HB ASN 42 2.907 9.191 -6.649 217 HD21 ASN 42 2HD2 ASN 42 2.739 9.512 -3.202 218 HD22 ASN 42 1HD2 ASN 42 2.562 11.232 -3.174 219 H LYS 43 H LYS 43 1.344 5.982 -5.607 220 HA LYS 43 HA LYS 43 0.336 5.017 -8.052 221 HB2 LYS 43 1HB LYS 43 3.206 5.628 -7.909 222 HB3 LYS 43 2HB LYS 43 2.880 3.954 -8.322 223 HG2 LYS 43 1HG LYS 43 1.646 6.274 -9.780 224 HG3 LYS 43 2HG LYS 43 3.172 5.529 -10.255 225 HD2 LYS 43 1HD LYS 43 0.573 4.025 -9.982 226 HD3 LYS 43 2HD LYS 43 1.176 4.686 -11.502 227 HE2 LYS 43 1HE LYS 43 3.217 3.317 -11.246 228 HE3 LYS 43 2HE LYS 43 2.539 2.616 -9.781 229 HZ1 LYS 43 3HZ LYS 43 1.382 2.400 -12.504 230 HZ2 LYS 43 1HZ LYS 43 0.706 1.749 -11.099 231 HZ3 LYS 43 2HZ LYS 43 2.190 1.173 -11.668 232 H THR 44 H THR 44 -0.418 2.981 -7.504 233 HA THR 44 HA THR 44 0.767 1.716 -5.185 234 HB THR 44 HB THR 44 -0.857 -0.152 -5.729 235 HG1 THR 44 1HG THR 44 -2.535 1.391 -7.159 236 HG21 THR 44 3HG2 THR 44 -1.214 1.590 -4.025 237 HG22 THR 44 1HG2 THR 44 -2.717 1.043 -4.763 238 HG23 THR 44 2HG2 THR 44 -2.018 2.591 -5.235 239 H GLU 45 H GLU 45 1.539 -0.473 -5.243 240 HA GLU 45 HA GLU 45 2.851 -1.097 -7.808 241 HB2 GLU 45 1HB GLU 45 4.351 -0.176 -5.935 242 HB3 GLU 45 2HB GLU 45 4.069 -1.704 -5.112 243 HG2 GLU 45 1HG GLU 45 6.150 -1.784 -6.323 244 HG3 GLU 45 2HG GLU 45 4.993 -2.895 -7.048 245 H ASP 46 H ASP 46 2.817 -3.192 -8.451 246 HA ASP 46 HA ASP 46 0.782 -4.860 -7.367 247 HB2 ASP 46 1HB ASP 46 2.895 -5.316 -9.461 248 HB3 ASP 46 2HB ASP 46 1.794 -6.591 -8.964 249 H SER 47 H SER 47 0.998 -5.833 -5.474 250 HA SER 47 HA SER 47 3.394 -6.316 -4.145 251 HB2 SER 47 1HB SER 47 2.111 -7.698 -2.609 252 HB3 SER 47 2HB SER 47 1.170 -6.275 -3.051 253 HG SER 47 HG SER 47 -0.141 -7.500 -4.295 254 H LYS 48 H LYS 48 1.851 -8.141 -6.629 255 HA LYS 48 HA LYS 48 3.342 -10.555 -6.008 256 HB2 LYS 48 1HB LYS 48 1.466 -10.024 -8.304 257 HB3 LYS 48 2HB LYS 48 2.079 -11.589 -7.791 258 HG2 LYS 48 1HG LYS 48 0.292 -9.782 -6.192 259 HG3 LYS 48 2HG LYS 48 -0.211 -11.227 -7.064 260 HD2 LYS 48 1HD LYS 48 1.763 -11.158 -4.782 261 HD3 LYS 48 2HD LYS 48 0.064 -11.608 -4.639 262 HE2 LYS 48 1HE LYS 48 2.144 -13.025 -6.300 263 HE3 LYS 48 2HE LYS 48 1.506 -13.573 -4.754 264 HZ1 LYS 48 3HZ LYS 48 -0.003 -13.285 -7.291 265 HZ2 LYS 48 1HZ LYS 48 -0.709 -13.663 -5.801 266 HZ3 LYS 48 2HZ LYS 48 0.400 -14.725 -6.505 267 H HIS 49 H HIS 49 3.835 -7.734 -7.769 268 HA HIS 49 HA HIS 49 5.850 -9.055 -9.458 269 HB2 HIS 49 1HB HIS 49 4.051 -6.745 -10.196 270 HB3 HIS 49 2HB HIS 49 5.399 -7.307 -11.162 271 HD1 HIS 49 HD1 HIS 49 4.996 -9.322 -12.672 272 HD2 HIS 49 HD2 HIS 49 1.829 -8.531 -10.097 273 HE1 HIS 49 HE1 HIS 49 3.112 -10.805 -13.435 274 HE2 HIS 49 HE2 HIS 49 1.272 -10.429 -11.756 275 H LEU 50 H LEU 50 5.962 -7.710 -6.832 276 HA LEU 50 HA LEU 50 7.057 -5.151 -6.976 277 HB2 LEU 50 1HB LEU 50 7.581 -7.334 -4.968 278 HB3 LEU 50 2HB LEU 50 8.053 -5.662 -4.765 279 HG LEU 50 HG LEU 50 5.217 -6.673 -4.960 280 HD11 LEU 50 1HD1 LEU 50 5.078 -6.015 -2.619 281 HD12 LEU 50 2HD1 LEU 50 6.793 -5.601 -2.633 282 HD13 LEU 50 3HD1 LEU 50 6.285 -7.273 -2.872 283 HD21 LEU 50 3HD2 LEU 50 4.634 -4.350 -4.337 284 HD22 LEU 50 1HD2 LEU 50 5.380 -4.486 -5.928 285 HD23 LEU 50 2HD2 LEU 50 6.324 -3.900 -4.559 286 H ASP 51 H ASP 51 9.179 -4.443 -6.691 287 HA ASP 51 HA ASP 51 11.203 -6.146 -7.948 288 HB2 ASP 51 1HB ASP 51 11.016 -3.170 -7.522 289 HB3 ASP 51 2HB ASP 51 12.517 -3.950 -8.003 290 H LYS 52 H LYS 52 13.488 -5.784 -7.018 291 HA LYS 52 HA LYS 52 13.444 -6.678 -4.350 292 HB2 LYS 52 1HB LYS 52 15.716 -5.631 -6.035 293 HB3 LYS 52 2HB LYS 52 15.933 -6.249 -4.404 294 HG2 LYS 52 1HG LYS 52 16.483 -8.033 -5.817 295 HG3 LYS 52 2HG LYS 52 14.860 -8.397 -5.233 296 HD2 LYS 52 1HD LYS 52 13.944 -7.447 -7.331 297 HD3 LYS 52 2HD LYS 52 15.594 -7.224 -7.911 298 HE2 LYS 52 1HE LYS 52 15.962 -9.656 -7.665 299 HE3 LYS 52 2HE LYS 52 14.270 -9.834 -7.204 300 HZ1 LYS 52 3HZ LYS 52 15.279 -8.823 -9.806 301 HZ2 LYS 52 1HZ LYS 52 13.648 -8.914 -9.369 302 HZ3 LYS 52 2HZ LYS 52 14.562 -10.328 -9.529 303 H GLY 53 H GLY 53 13.844 -3.509 -5.767 304 HA2 GLY 53 1HA GLY 53 14.782 -2.127 -3.517 305 HA3 GLY 53 2HA GLY 53 13.881 -1.414 -4.845 306 H THR 54 H THR 54 11.493 -2.985 -4.480 307 HA THR 54 HA THR 54 10.364 -1.483 -2.281 308 HB THR 54 HB THR 54 8.942 -3.487 -4.048 309 HG1 THR 54 1HG THR 54 9.727 -0.837 -4.457 310 HG21 THR 54 3HG2 THR 54 7.733 -2.968 -1.993 311 HG22 THR 54 1HG2 THR 54 6.924 -2.210 -3.373 312 HG23 THR 54 2HG2 THR 54 7.931 -1.240 -2.291 313 H THR 55 H THR 55 10.824 -4.888 -3.135 314 HA THR 55 HA THR 55 9.837 -6.088 -0.841 315 HB THR 55 HB THR 55 12.240 -6.864 -2.509 316 HG1 THR 55 1HG THR 55 10.750 -8.149 -3.605 317 HG21 THR 55 3HG2 THR 55 10.644 -8.541 -0.572 318 HG22 THR 55 1HG2 THR 55 12.290 -7.961 -0.322 319 HG23 THR 55 2HG2 THR 55 11.947 -9.114 -1.613 320 H ALA 56 H ALA 56 12.852 -4.429 -1.425 321 HA ALA 56 HA ALA 56 14.287 -5.044 0.859 322 HB1 ALA 56 3HB ALA 56 14.179 -2.413 -0.608 323 HB2 ALA 56 1HB ALA 56 15.205 -3.788 -1.018 324 HB3 ALA 56 2HB ALA 56 15.454 -2.925 0.501 325 H LEU 57 H LEU 57 12.063 -2.278 0.385 326 HA LEU 57 HA LEU 57 12.285 -1.238 2.980 327 HB2 LEU 57 1HB LEU 57 9.844 -1.163 1.212 328 HB3 LEU 57 2HB LEU 57 10.111 -0.162 2.620 329 HG LEU 57 HG LEU 57 10.879 1.384 1.237 330 HD11 LEU 57 1HD1 LEU 57 13.137 1.305 0.525 331 HD12 LEU 57 2HD1 LEU 57 13.126 -0.458 0.494 332 HD13 LEU 57 3HD1 LEU 57 13.046 0.393 2.039 333 HD21 LEU 57 3HD2 LEU 57 11.239 -0.665 -0.922 334 HD22 LEU 57 1HD2 LEU 57 11.068 1.076 -1.119 335 HD23 LEU 57 2HD2 LEU 57 9.698 0.112 -0.556 336 H LEU 58 H LEU 58 9.970 -3.485 1.594 337 HA LEU 58 HA LEU 58 8.422 -3.924 3.883 338 HB2 LEU 58 1HB LEU 58 9.051 -5.994 1.794 339 HB3 LEU 58 2HB LEU 58 7.591 -5.850 2.755 340 HG LEU 58 HG LEU 58 8.446 -3.899 0.610 341 HD11 LEU 58 1HD1 LEU 58 7.804 -6.050 -0.308 342 HD12 LEU 58 2HD1 LEU 58 6.582 -4.826 -0.658 343 HD13 LEU 58 3HD1 LEU 58 6.305 -6.012 0.621 344 HD21 LEU 58 3HD2 LEU 58 6.220 -2.949 0.888 345 HD22 LEU 58 1HD2 LEU 58 7.136 -2.848 2.392 346 HD23 LEU 58 2HD2 LEU 58 5.887 -4.080 2.203 347 H GLY 59 H GLY 59 11.307 -5.565 2.679 348 HA2 GLY 59 1HA GLY 59 11.553 -7.467 4.716 349 HA3 GLY 59 2HA GLY 59 12.881 -6.830 3.759 350 H LEU 60 H LEU 60 12.620 -4.096 4.564 351 HA LEU 60 HA LEU 60 14.162 -4.041 6.916 352 HB2 LEU 60 1HB LEU 60 12.435 -1.794 5.866 353 HB3 LEU 60 2HB LEU 60 13.829 -1.639 6.916 354 HG LEU 60 HG LEU 60 13.779 -2.317 3.986 355 HD11 LEU 60 1HD1 LEU 60 15.257 -0.397 3.822 356 HD12 LEU 60 2HD1 LEU 60 15.180 -0.174 5.568 357 HD13 LEU 60 3HD1 LEU 60 13.729 0.040 4.588 358 HD21 LEU 60 3HD2 LEU 60 16.179 -2.707 4.124 359 HD22 LEU 60 1HD2 LEU 60 15.290 -3.874 5.105 360 HD23 LEU 60 2HD2 LEU 60 16.118 -2.521 5.878 361 H LEU 61 H LEU 61 10.770 -3.683 6.312 362 HA LEU 61 HA LEU 61 10.157 -3.074 9.095 363 HB2 LEU 61 1HB LEU 61 8.313 -3.390 6.729 364 HB3 LEU 61 2HB LEU 61 7.901 -2.700 8.291 365 HG LEU 61 HG LEU 61 10.139 -1.439 6.799 366 HD11 LEU 61 1HD1 LEU 61 8.561 -0.074 5.508 367 HD12 LEU 61 2HD1 LEU 61 7.244 -1.116 6.046 368 HD13 LEU 61 3HD1 LEU 61 8.533 -1.772 5.036 369 HD21 LEU 61 3HD2 LEU 61 9.382 -0.691 9.045 370 HD22 LEU 61 1HD2 LEU 61 7.825 -0.269 8.331 371 HD23 LEU 61 2HD2 LEU 61 9.291 0.561 7.804 372 H ASN 62 H ASN 62 10.717 -5.792 7.383 373 HA ASN 62 HA ASN 62 10.566 -7.987 7.912 374 HB2 ASN 62 1HB ASN 62 9.299 -6.906 10.419 375 HB3 ASN 62 2HB ASN 62 9.530 -8.625 10.142 376 HD21 ASN 62 2HD2 ASN 62 10.937 -8.901 11.824 377 HD22 ASN 62 1HD2 ASN 62 12.545 -8.263 11.824 378 H ILE 63 H ILE 63 8.604 -6.671 6.303 379 HA ILE 63 HA ILE 63 6.105 -8.047 6.861 380 HB ILE 63 HB ILE 63 6.922 -6.335 4.503 381 HG12 ILE 63 1HG1 ILE 63 5.099 -5.538 6.757 382 HG13 ILE 63 2HG1 ILE 63 6.845 -5.324 6.873 383 HG21 ILE 63 1HG2 ILE 63 4.520 -6.166 4.051 384 HG22 ILE 63 2HG2 ILE 63 4.195 -7.294 5.367 385 HG23 ILE 63 3HG2 ILE 63 5.087 -7.835 3.943 386 HD11 ILE 63 3HD1 ILE 63 5.667 -3.303 6.136 387 HD12 ILE 63 1HD1 ILE 63 5.118 -4.177 4.702 388 HD13 ILE 63 2HD1 ILE 63 6.841 -3.891 4.960 389 H LYS 64 H LYS 64 5.240 -9.643 5.542 390 HA LYS 64 HA LYS 64 7.242 -11.140 4.022 391 HB2 LYS 64 1HB LYS 64 5.630 -13.060 4.237 392 HB3 LYS 64 2HB LYS 64 6.334 -12.501 5.742 393 HG2 LYS 64 1HG LYS 64 3.658 -11.503 4.875 394 HG3 LYS 64 2HG LYS 64 3.819 -13.086 5.630 395 HD2 LYS 64 1HD LYS 64 4.910 -12.020 7.563 396 HD3 LYS 64 2HD LYS 64 4.660 -10.444 6.816 397 HE2 LYS 64 1HE LYS 64 2.235 -10.845 6.829 398 HE3 LYS 64 2HE LYS 64 2.508 -12.393 7.623 399 HZ1 LYS 64 3HZ LYS 64 1.916 -10.748 9.242 400 HZ2 LYS 64 1HZ LYS 64 3.148 -9.712 8.719 401 HZ3 LYS 64 2HZ LYS 64 3.535 -11.173 9.472 402 H ILE 65 H ILE 65 7.174 -11.103 1.935 403 HA ILE 65 HA ILE 65 5.214 -9.581 0.560 404 HB ILE 65 HB ILE 65 7.602 -11.151 -0.393 405 HG12 ILE 65 1HG1 ILE 65 8.439 -8.890 -1.008 406 HG13 ILE 65 2HG1 ILE 65 6.990 -8.194 -0.302 407 HG21 ILE 65 1HG2 ILE 65 5.838 -9.424 -2.103 408 HG22 ILE 65 2HG2 ILE 65 5.816 -11.189 -2.114 409 HG23 ILE 65 3HG2 ILE 65 7.267 -10.318 -2.616 410 HD11 ILE 65 3HD1 ILE 65 8.881 -7.985 1.197 411 HD12 ILE 65 1HD1 ILE 65 9.119 -9.733 1.165 412 HD13 ILE 65 2HD1 ILE 65 7.660 -9.055 1.888 413 H GLY 66 H GLY 66 5.773 -12.998 1.032 414 HA2 GLY 66 1HA GLY 66 4.135 -13.915 -1.114 415 HA3 GLY 66 2HA GLY 66 4.692 -14.871 0.248 416 H ASP 67 H ASP 67 3.381 -12.593 1.935 417 HA ASP 67 HA ASP 67 0.772 -13.916 2.043 418 HB2 ASP 67 1HB ASP 67 2.090 -13.685 4.133 419 HB3 ASP 67 2HB ASP 67 2.001 -11.935 3.968 420 H LEU 68 H LEU 68 2.206 -11.123 0.826 421 HA LEU 68 HA LEU 68 0.271 -9.156 1.242 422 HB2 LEU 68 1HB LEU 68 2.163 -9.576 -1.066 423 HB3 LEU 68 2HB LEU 68 1.206 -8.124 -0.833 424 HG LEU 68 HG LEU 68 3.317 -9.154 1.061 425 HD11 LEU 68 1HD1 LEU 68 4.583 -7.194 0.373 426 HD12 LEU 68 2HD1 LEU 68 3.320 -6.769 -0.781 427 HD13 LEU 68 3HD1 LEU 68 4.254 -8.249 -1.000 428 HD21 LEU 68 3HD2 LEU 68 2.968 -6.958 2.175 429 HD22 LEU 68 1HD2 LEU 68 1.587 -8.051 2.292 430 HD23 LEU 68 2HD2 LEU 68 1.553 -6.716 1.145 431 H LYS 69 H LYS 69 -1.497 -8.486 0.120 432 HA LYS 69 HA LYS 69 -2.860 -10.676 -1.195 433 HB2 LYS 69 1HB LYS 69 -3.936 -8.108 -0.067 434 HB3 LYS 69 2HB LYS 69 -4.884 -9.459 -0.641 435 HG2 LYS 69 1HG LYS 69 -3.035 -9.456 1.722 436 HG3 LYS 69 2HG LYS 69 -4.797 -9.472 1.769 437 HD2 LYS 69 1HD LYS 69 -4.770 -11.654 0.611 438 HD3 LYS 69 2HD LYS 69 -3.006 -11.635 0.663 439 HE2 LYS 69 1HE LYS 69 -4.898 -11.701 3.010 440 HE3 LYS 69 2HE LYS 69 -3.835 -12.997 2.466 441 HZ1 LYS 69 3HZ LYS 69 -2.860 -11.905 4.342 442 HZ2 LYS 69 1HZ LYS 69 -3.001 -10.388 3.612 443 HZ3 LYS 69 2HZ LYS 69 -1.933 -11.536 2.977 444 H ASP 70 H ASP 70 -3.287 -7.166 -1.595 445 HA ASP 70 HA ASP 70 -3.675 -7.689 -4.450 446 HB2 ASP 70 1HB ASP 70 -4.811 -5.648 -2.579 447 HB3 ASP 70 2HB ASP 70 -4.788 -5.335 -4.310 448 H LEU 71 H LEU 71 -3.251 -4.436 -3.385 449 HA LEU 71 HA LEU 71 -0.662 -4.366 -4.783 450 HB2 LEU 71 1HB LEU 71 -2.698 -2.210 -4.279 451 HB3 LEU 71 2HB LEU 71 -1.079 -1.881 -4.845 452 HG LEU 71 HG LEU 71 -2.220 -1.815 -6.799 453 HD11 LEU 71 1HD1 LEU 71 -0.496 -3.470 -7.064 454 HD12 LEU 71 2HD1 LEU 71 -1.892 -3.870 -8.066 455 HD13 LEU 71 3HD1 LEU 71 -1.606 -4.746 -6.563 456 HD21 LEU 71 3HD2 LEU 71 -4.187 -3.069 -7.360 457 HD22 LEU 71 1HD2 LEU 71 -4.382 -2.366 -5.752 458 HD23 LEU 71 2HD2 LEU 71 -3.997 -4.082 -5.929 459 H VAL 72 H VAL 72 0.848 -2.761 -4.049 460 HA VAL 72 HA VAL 72 0.604 -2.062 -1.195 461 HB VAL 72 HB VAL 72 2.759 -2.534 -0.776 462 HG11 VAL 72 1HG1 VAL 72 3.830 -4.228 -2.181 463 HG12 VAL 72 2HG1 VAL 72 2.626 -3.929 -3.435 464 HG13 VAL 72 3HG1 VAL 72 2.130 -4.574 -1.871 465 HG21 VAL 72 3HG2 VAL 72 4.638 -2.059 -2.440 466 HG22 VAL 72 1HG2 VAL 72 3.758 -0.678 -1.773 467 HG23 VAL 72 2HG2 VAL 72 3.402 -1.252 -3.404 468 H GLY 73 H GLY 73 1.805 0.132 -0.817 469 HA2 GLY 73 1HA GLY 73 1.503 1.827 -3.187 470 HA3 GLY 73 2HA GLY 73 0.620 2.244 -1.734 471 H LEU 74 H LEU 74 3.280 3.057 -3.445 472 HA LEU 74 HA LEU 74 4.917 3.441 -1.066 473 HB2 LEU 74 1HB LEU 74 6.794 3.786 -2.387 474 HB3 LEU 74 2HB LEU 74 5.922 2.530 -3.224 475 HG LEU 74 HG LEU 74 6.824 3.922 -4.878 476 HD11 LEU 74 1HD1 LEU 74 4.894 4.894 -6.023 477 HD12 LEU 74 2HD1 LEU 74 3.935 4.682 -4.554 478 HD13 LEU 74 3HD1 LEU 74 4.584 3.271 -5.400 479 HD21 LEU 74 3HD2 LEU 74 5.738 6.313 -3.387 480 HD22 LEU 74 1HD2 LEU 74 6.505 6.365 -4.976 481 HD23 LEU 74 2HD2 LEU 74 7.431 5.853 -3.565 482 H ASN 75 H ASN 75 5.273 5.309 -0.136 483 HA ASN 75 HA ASN 75 4.989 7.476 0.480 484 HB2 ASN 75 1HB ASN 75 6.438 7.555 -1.663 485 HB3 ASN 75 2HB ASN 75 4.991 8.195 -2.437 486 HD21 ASN 75 2HD2 ASN 75 7.375 8.701 0.046 487 HD22 ASN 75 1HD2 ASN 75 7.159 10.408 0.157 488 H CYS 76 H CYS 76 2.793 6.505 0.921 489 HA CYS 76 HA CYS 76 0.688 7.550 -0.823 490 HB2 CYS 76 2HB CYS 76 0.945 5.070 -0.259 491 HB3 CYS 76 1HB CYS 76 0.386 5.488 1.353 492 H SER 77 H SER 77 -1.039 8.677 0.010 493 HA SER 77 HA SER 77 -0.508 10.002 2.573 494 HB2 SER 77 1HB SER 77 -2.402 10.865 0.375 495 HB3 SER 77 2HB SER 77 -1.843 11.831 1.742 496 HG SER 77 HG SER 77 0.265 11.727 0.864 497 HA PRO 78 HA PRO 78 -3.968 7.462 3.993 498 HB2 PRO 78 2HB PRO 78 -3.346 8.660 6.597 499 HB3 PRO 78 1HB PRO 78 -3.328 6.963 6.115 500 HG2 PRO 78 2HG PRO 78 -1.064 8.327 6.622 501 HG3 PRO 78 1HG PRO 78 -1.142 7.055 5.388 502 HD2 PRO 78 2HD PRO 78 -1.221 10.034 5.048 503 HD3 PRO 78 1HD PRO 78 -0.354 8.810 4.092 504 H LEU 79 H LEU 79 -5.953 8.141 3.662 505 HA LEU 79 HA LEU 79 -6.679 10.899 4.317 506 HB2 LEU 79 1HB LEU 79 -8.395 8.857 2.923 507 HB3 LEU 79 2HB LEU 79 -8.501 10.603 2.831 508 HG LEU 79 HG LEU 79 -6.234 8.968 1.690 509 HD11 LEU 79 1HD1 LEU 79 -7.207 9.434 -0.487 510 HD12 LEU 79 2HD1 LEU 79 -8.582 10.224 0.288 511 HD13 LEU 79 3HD1 LEU 79 -8.307 8.496 0.523 512 HD21 LEU 79 3HD2 LEU 79 -6.936 11.886 1.411 513 HD22 LEU 79 1HD2 LEU 79 -5.680 11.049 0.499 514 HD23 LEU 79 2HD2 LEU 79 -5.538 11.206 2.249 515 H SER 80 H SER 80 -6.809 10.638 6.581 516 HA SER 80 HA SER 80 -8.607 8.725 7.763 517 HB2 SER 80 1HB SER 80 -8.123 10.210 9.823 518 HB3 SER 80 2HB SER 80 -6.767 9.333 9.112 519 HG SER 80 HG SER 80 -6.061 11.397 9.364 520 H VAL 81 H VAL 81 -8.545 12.253 7.441 521 HA VAL 81 HA VAL 81 -11.337 12.471 8.096 522 HB VAL 81 HB VAL 81 -11.021 14.894 7.538 523 HG11 VAL 81 1HG1 VAL 81 -9.098 13.666 9.508 524 HG12 VAL 81 2HG1 VAL 81 -10.784 14.085 9.810 525 HG13 VAL 81 3HG1 VAL 81 -9.603 15.353 9.496 526 HG21 VAL 81 3HG2 VAL 81 -9.202 14.667 5.910 527 HG22 VAL 81 1HG2 VAL 81 -8.132 14.085 7.186 528 HG23 VAL 81 2HG2 VAL 81 -8.742 15.738 7.232 529 H ILE 82 H ILE 82 -12.742 11.733 6.673 530 HA ILE 82 HA ILE 82 -12.278 12.308 3.830 531 HB ILE 82 HB ILE 82 -13.756 9.995 5.042 532 HG12 ILE 82 1HG1 ILE 82 -11.072 10.335 3.725 533 HG13 ILE 82 2HG1 ILE 82 -11.439 9.614 5.287 534 HG21 ILE 82 1HG2 ILE 82 -14.093 9.210 2.782 535 HG22 ILE 82 2HG2 ILE 82 -13.211 10.593 2.137 536 HG23 ILE 82 3HG2 ILE 82 -14.766 10.836 2.936 537 HD11 ILE 82 3HD1 ILE 82 -12.468 7.717 4.173 538 HD12 ILE 82 1HD1 ILE 82 -10.797 7.945 3.656 539 HD13 ILE 82 2HD1 ILE 82 -12.121 8.453 2.608 540 H GLY 83 H GLY 83 -13.722 13.470 2.779 541 HA2 GLY 83 1HA GLY 83 -16.468 13.592 3.846 542 HA3 GLY 83 2HA GLY 83 -15.641 15.024 3.257 543 H VAL 84 H VAL 84 -15.776 15.518 1.166 544 HA VAL 84 HA VAL 84 -17.421 13.920 -0.548 545 HB VAL 84 HB VAL 84 -16.810 15.701 -2.276 546 HG11 VAL 84 1HG1 VAL 84 -18.893 15.733 -1.019 547 HG12 VAL 84 2HG1 VAL 84 -18.267 17.371 -1.215 548 HG13 VAL 84 3HG1 VAL 84 -18.086 16.537 0.327 549 HG21 VAL 84 3HG2 VAL 84 -14.706 16.436 -1.249 550 HG22 VAL 84 1HG2 VAL 84 -15.593 17.007 0.162 551 HG23 VAL 84 2HG2 VAL 84 -15.846 17.773 -1.405 552 H GLY 85 H GLY 85 -16.043 12.004 -0.465 553 HA2 GLY 85 1HA GLY 85 -14.735 10.513 -1.639 554 HA3 GLY 85 2HA GLY 85 -14.507 11.762 -2.858 555 H GLY 86 H GLY 86 -13.647 11.561 0.577 556 HA2 GLY 86 1HA GLY 86 -11.416 11.303 1.392 557 HA3 GLY 86 2HA GLY 86 -10.822 11.856 -0.169 558 H ASN 87 H ASN 87 -9.599 13.552 0.499 559 HA ASN 87 HA ASN 87 -10.996 15.969 1.138 560 HB2 ASN 87 1HB ASN 87 -10.742 15.001 3.406 561 HB3 ASN 87 2HB ASN 87 -9.000 14.911 3.158 562 HD21 ASN 87 2HD2 ASN 87 -11.696 16.958 3.824 563 HD22 ASN 87 1HD2 ASN 87 -10.795 18.393 4.173 564 H SER 88 H SER 88 -7.716 14.612 1.487 565 HA SER 88 HA SER 88 -6.800 16.621 -0.461 566 HB2 SER 88 1HB SER 88 -5.236 15.571 1.908 567 HB3 SER 88 2HB SER 88 -4.703 16.800 0.761 568 HG SER 88 HG SER 88 -7.104 17.171 2.181 569 H CYS 89 H CYS 89 -7.453 14.609 -1.809 570 HA CYS 89 HA CYS 89 -5.006 13.004 -2.132 571 HB2 CYS 89 2HB CYS 89 -6.699 11.471 -1.453 572 HB3 CYS 89 1HB CYS 89 -7.875 12.155 -2.560 573 H SER 90 H SER 90 -3.944 13.377 -3.923 574 HA SER 90 HA SER 90 -5.415 14.289 -6.303 575 HB2 SER 90 1HB SER 90 -2.680 15.260 -5.427 576 HB3 SER 90 2HB SER 90 -3.584 15.805 -6.841 577 HG SER 90 HG SER 90 -3.678 16.785 -4.403 578 H ALA 91 H ALA 91 -4.491 11.661 -5.383 579 HA ALA 91 HA ALA 91 -2.944 10.925 -7.743 580 HB1 ALA 91 3HB ALA 91 -1.289 11.185 -5.966 581 HB2 ALA 91 1HB ALA 91 -1.452 9.495 -6.439 582 HB3 ALA 91 2HB ALA 91 -2.200 10.067 -4.948 583 H GLN 92 H GLN 92 -2.647 8.172 -6.800 584 HA GLN 92 HA GLN 92 -5.264 7.316 -7.616 585 HB2 GLN 92 1HB GLN 92 -3.894 5.914 -8.701 586 HB3 GLN 92 2HB GLN 92 -2.548 6.282 -7.632 587 HG2 GLN 92 1HG GLN 92 -3.102 4.598 -6.157 588 HG3 GLN 92 2HG GLN 92 -4.728 4.420 -6.803 589 HE21 GLN 92 2HE2 GLN 92 -1.941 4.788 -8.851 590 HE22 GLN 92 1HE2 GLN 92 -1.946 3.172 -9.475 591 H THR 93 H THR 93 -6.808 6.561 -6.338 592 HA THR 93 HA THR 93 -6.233 6.606 -3.468 593 HB THR 93 HB THR 93 -9.045 6.623 -4.374 594 HG1 THR 93 1HG THR 93 -7.125 8.454 -5.276 595 HG21 THR 93 3HG2 THR 93 -8.338 6.994 -2.026 596 HG22 THR 93 1HG2 THR 93 -9.218 8.373 -2.687 597 HG23 THR 93 2HG2 THR 93 -7.463 8.438 -2.542 598 H VAL 94 H VAL 94 -6.100 4.739 -2.490 599 HA VAL 94 HA VAL 94 -7.709 2.476 -3.463 600 HB VAL 94 HB VAL 94 -5.788 0.990 -2.777 601 HG11 VAL 94 1HG1 VAL 94 -4.524 1.359 -4.861 602 HG12 VAL 94 2HG1 VAL 94 -5.371 2.889 -5.081 603 HG13 VAL 94 3HG1 VAL 94 -6.264 1.369 -5.106 604 HG21 VAL 94 3HG2 VAL 94 -4.567 2.594 -1.417 605 HG22 VAL 94 1HG2 VAL 94 -4.278 3.598 -2.837 606 HG23 VAL 94 2HG2 VAL 94 -3.553 1.994 -2.730 607 H CYS 95 H CYS 95 -7.919 0.745 -1.873 608 HA CYS 95 HA CYS 95 -8.134 1.805 0.864 609 HB2 CYS 95 2HB CYS 95 -10.247 1.071 -0.275 610 HB3 CYS 95 1HB CYS 95 -9.575 -0.551 -0.383 611 H CYS 96 H CYS 96 -6.505 1.126 2.122 612 HA CYS 96 HA CYS 96 -5.201 -1.422 1.434 613 HB2 CYS 96 2HB CYS 96 -3.938 0.941 2.823 614 HB3 CYS 96 1HB CYS 96 -3.123 -0.482 2.179 615 H THR 97 H THR 97 -4.467 -2.768 3.114 616 HA THR 97 HA THR 97 -6.387 -2.761 5.276 617 HB THR 97 HB THR 97 -5.856 -4.833 4.003 618 HG1 THR 97 1HG THR 97 -5.475 -4.748 6.817 619 HG21 THR 97 3HG2 THR 97 -3.224 -4.728 5.483 620 HG22 THR 97 1HG2 THR 97 -3.434 -4.484 3.750 621 HG23 THR 97 2HG2 THR 97 -3.798 -6.052 4.468 622 H ASN 98 H ASN 98 -3.077 -1.945 4.844 623 HA ASN 98 HA ASN 98 -2.864 -0.962 7.536 624 HB2 ASN 98 1HB ASN 98 -1.355 -3.407 6.681 625 HB3 ASN 98 2HB ASN 98 -0.552 -2.244 7.726 626 HD21 ASN 98 2HD2 ASN 98 -2.903 -1.499 9.208 627 HD22 ASN 98 1HD2 ASN 98 -3.307 -2.848 10.209 628 H THR 99 H THR 99 -0.654 0.089 7.838 629 HA THR 99 HA THR 99 0.562 0.885 5.300 630 HB THR 99 HB THR 99 -1.076 2.610 5.674 631 HG1 THR 99 1HG THR 99 0.862 3.405 4.912 632 HG21 THR 99 3HG2 THR 99 -1.069 4.001 7.709 633 HG22 THR 99 1HG2 THR 99 0.132 2.924 8.422 634 HG23 THR 99 2HG2 THR 99 -1.483 2.321 8.052 635 H TYR 100 H TYR 100 2.742 1.409 5.442 636 HA TYR 100 HA TYR 100 3.908 1.400 8.145 637 HB2 TYR 100 2HB TYR 100 4.998 -0.210 5.827 638 HB3 TYR 100 1HB TYR 100 5.748 -0.050 7.406 639 HD1 TYR 100 2HD TYR 100 4.830 -1.212 9.342 640 HD2 TYR 100 1HD TYR 100 3.064 -1.633 5.494 641 HE1 TYR 100 2HE TYR 100 3.574 -3.168 10.140 642 HE2 TYR 100 1HE TYR 100 1.804 -3.592 6.282 643 HH TYR 100 HH TYR 100 1.992 -5.311 8.058 644 H GLN 101 H GLN 101 6.049 2.344 8.265 645 HA GLN 101 HA GLN 101 7.562 4.000 7.853 646 HB2 GLN 101 1HB GLN 101 7.033 2.935 5.111 647 HB3 GLN 101 2HB GLN 101 8.003 4.383 5.298 648 HG2 GLN 101 1HG GLN 101 8.587 1.814 6.712 649 HG3 GLN 101 2HG GLN 101 9.267 2.242 5.150 650 HE21 GLN 101 2HE2 GLN 101 9.321 5.098 5.968 651 HE22 GLN 101 1HE2 GLN 101 10.715 5.247 6.961 652 H HIS 102 H HIS 102 4.943 4.785 8.319 653 HA HIS 102 HA HIS 102 3.587 6.568 8.320 654 HB2 HIS 102 1HB HIS 102 4.584 8.625 8.472 655 HB3 HIS 102 2HB HIS 102 5.975 7.578 8.658 656 HD1 HIS 102 HD1 HIS 102 4.384 9.933 6.202 657 HD2 HIS 102 HD2 HIS 102 7.941 7.847 6.738 658 HE1 HIS 102 HE1 HIS 102 5.986 10.886 4.513 659 HE2 HIS 102 HE2 HIS 102 8.172 9.711 4.948 660 H GLY 103 H GLY 103 4.408 5.154 5.529 661 HA2 GLY 103 1HA GLY 103 2.294 5.380 4.055 662 HA3 GLY 103 2HA GLY 103 2.896 7.018 3.851 663 H LEU 104 H LEU 104 5.716 5.658 4.069 664 HA LEU 104 HA LEU 104 6.313 5.775 1.354 665 HB2 LEU 104 1HB LEU 104 7.815 4.112 3.359 666 HB3 LEU 104 2HB LEU 104 8.430 4.750 1.851 667 HG LEU 104 HG LEU 104 7.761 6.274 4.350 668 HD11 LEU 104 1HD1 LEU 104 9.948 5.097 4.130 669 HD12 LEU 104 2HD1 LEU 104 10.063 6.844 4.353 670 HD13 LEU 104 3HD1 LEU 104 10.299 6.141 2.754 671 HD21 LEU 104 3HD2 LEU 104 8.432 7.365 1.635 672 HD22 LEU 104 1HD2 LEU 104 8.393 8.291 3.136 673 HD23 LEU 104 2HD2 LEU 104 6.912 7.562 2.514 674 H VAL 105 H VAL 105 5.462 2.961 3.311 675 HA VAL 105 HA VAL 105 4.867 1.560 0.781 676 HB VAL 105 HB VAL 105 5.334 -0.594 2.084 677 HG11 VAL 105 1HG1 VAL 105 6.744 0.202 0.249 678 HG12 VAL 105 2HG1 VAL 105 7.714 -0.544 1.519 679 HG13 VAL 105 3HG1 VAL 105 7.648 1.212 1.379 680 HG21 VAL 105 3HG2 VAL 105 6.809 -0.509 3.935 681 HG22 VAL 105 1HG2 VAL 105 5.490 0.610 4.274 682 HG23 VAL 105 2HG2 VAL 105 7.053 1.228 3.743 683 H ASN 106 H ASN 106 3.105 0.155 0.856 684 HA ASN 106 HA ASN 106 1.290 0.393 3.133 685 HB2 ASN 106 1HB ASN 106 1.145 2.036 0.865 686 HB3 ASN 106 2HB ASN 106 -0.120 0.835 0.633 687 HD21 ASN 106 2HD2 ASN 106 -1.717 2.397 0.890 688 HD22 ASN 106 1HD2 ASN 106 -2.095 3.070 2.435 689 H VAL 107 H VAL 107 -0.449 -1.256 3.013 690 HA VAL 107 HA VAL 107 0.212 -3.386 1.087 691 HB VAL 107 HB VAL 107 -0.190 -5.067 2.908 692 HG11 VAL 107 1HG1 VAL 107 2.085 -4.894 3.824 693 HG12 VAL 107 2HG1 VAL 107 2.194 -3.239 3.222 694 HG13 VAL 107 3HG1 VAL 107 2.056 -4.583 2.089 695 HG21 VAL 107 3HG2 VAL 107 0.190 -2.673 4.694 696 HG22 VAL 107 1HG2 VAL 107 0.128 -4.356 5.218 697 HG23 VAL 107 2HG2 VAL 107 -1.298 -3.603 4.503 698 H GLY 108 H GLY 108 -1.373 -4.812 0.530 699 HA2 GLY 108 1HA GLY 108 -3.491 -5.559 0.090 700 HA3 GLY 108 2HA GLY 108 -3.898 -5.049 1.723 701 H CYS 109 H CYS 109 -2.964 -3.340 -1.253 702 HA CYS 109 HA CYS 109 -5.054 -1.386 -0.657 703 HB2 CYS 109 2HB CYS 109 -2.735 -1.318 -2.592 704 HB3 CYS 109 1HB CYS 109 -3.910 -0.027 -2.415 705 H THR 110 H THR 110 -6.893 -1.350 -1.725 706 HA THR 110 HA THR 110 -7.018 -2.574 -4.403 707 HB THR 110 HB THR 110 -9.501 -2.846 -3.857 708 HG1 THR 110 1HG THR 110 -8.752 -2.914 -1.153 709 HG21 THR 110 3HG2 THR 110 -7.985 -4.746 -3.958 710 HG22 THR 110 1HG2 THR 110 -9.130 -4.947 -2.631 711 HG23 THR 110 2HG2 THR 110 -7.472 -4.447 -2.298 712 HA PRO 111 HA PRO 111 -7.917 1.592 -5.839 713 HB2 PRO 111 2HB PRO 111 -9.211 0.033 -8.018 714 HB3 PRO 111 1HB PRO 111 -8.038 1.349 -8.122 715 HG2 PRO 111 2HG PRO 111 -7.286 -1.161 -8.560 716 HG3 PRO 111 1HG PRO 111 -6.237 -0.043 -7.669 717 HD2 PRO 111 2HD PRO 111 -7.953 -2.263 -6.638 718 HD3 PRO 111 1HD PRO 111 -6.354 -1.721 -6.093 719 H ILE 112 H ILE 112 -9.488 2.578 -4.734 720 HA ILE 112 HA ILE 112 -12.163 1.384 -4.736 721 HB ILE 112 HB ILE 112 -11.300 1.806 -2.513 722 HG12 ILE 112 1HG1 ILE 112 -13.439 3.803 -3.282 723 HG13 ILE 112 2HG1 ILE 112 -13.699 2.113 -2.875 724 HG21 ILE 112 1HG2 ILE 112 -10.798 4.072 -1.727 725 HG22 ILE 112 2HG2 ILE 112 -11.022 4.681 -3.365 726 HG23 ILE 112 3HG2 ILE 112 -9.705 3.563 -3.013 727 HD11 ILE 112 3HD1 ILE 112 -12.933 2.538 -0.602 728 HD12 ILE 112 1HD1 ILE 112 -14.292 3.574 -1.035 729 HD13 ILE 112 2HD1 ILE 112 -12.657 4.231 -1.012 730 H ASN 113 H ASN 113 -13.846 2.331 -5.659 731 HA ASN 113 HA ASN 113 -13.429 4.825 -7.108 732 HB2 ASN 113 1HB ASN 113 -15.753 2.882 -7.121 733 HB3 ASN 113 2HB ASN 113 -15.628 4.310 -8.142 734 HD21 ASN 113 2HD2 ASN 113 -14.433 1.101 -7.535 735 HD22 ASN 113 1HD2 ASN 113 -13.612 0.905 -9.044 736 H ILE 114 H ILE 114 -13.597 6.499 -5.715 737 HA ILE 114 HA ILE 114 -15.305 6.492 -3.468 738 HB ILE 114 HB ILE 114 -14.809 9.087 -3.594 739 HG12 ILE 114 1HG1 ILE 114 -12.617 9.531 -4.606 740 HG13 ILE 114 2HG1 ILE 114 -12.573 7.898 -5.260 741 HG21 ILE 114 1HG2 ILE 114 -14.064 7.581 -1.848 742 HG22 ILE 114 2HG2 ILE 114 -12.759 8.667 -2.325 743 HG23 ILE 114 3HG2 ILE 114 -12.763 6.993 -2.882 744 HD11 ILE 114 3HD1 ILE 114 -13.154 9.489 -6.968 745 HD12 ILE 114 1HD1 ILE 114 -14.501 10.078 -5.995 746 HD13 ILE 114 2HD1 ILE 114 -14.528 8.436 -6.632 747 H GLY 115 H GLY 115 -16.031 7.060 -6.719 748 HA2 GLY 115 1HA GLY 115 -18.381 7.056 -7.270 749 HA3 GLY 115 2HA GLY 115 -18.671 8.036 -5.844 750 H LEU 116 H LEU 116 -16.205 9.642 -6.630 751 HA LEU 116 HA LEU 116 -17.653 11.530 -8.279 752 HB2 LEU 116 1HB LEU 116 -14.915 11.695 -7.011 753 HB3 LEU 116 2HB LEU 116 -15.643 12.979 -7.953 754 HG LEU 116 HG LEU 116 -17.533 12.967 -6.235 755 HD11 LEU 116 1HD1 LEU 116 -16.936 12.130 -4.005 756 HD12 LEU 116 2HD1 LEU 116 -15.486 11.389 -4.684 757 HD13 LEU 116 3HD1 LEU 116 -17.081 10.828 -5.187 758 HD21 LEU 116 3HD2 LEU 116 -14.760 13.765 -5.375 759 HD22 LEU 116 1HD2 LEU 116 -16.267 14.375 -4.694 760 HD23 LEU 116 2HD2 LEU 116 -15.855 14.721 -6.373 Start of MODEL 8 1 H1 LYS 10 1H LYS 10 -32.589 14.150 14.968 2 H2 LYS 10 2H LYS 10 -31.072 14.720 15.444 3 H3 LYS 10 3H LYS 10 -31.574 14.886 13.838 4 HA LYS 10 HA LYS 10 -33.328 16.378 14.487 5 HB2 LYS 10 1HB LYS 10 -32.175 15.970 17.246 6 HB3 LYS 10 2HB LYS 10 -33.313 17.241 16.833 7 HG2 LYS 10 1HG LYS 10 -34.983 15.579 16.231 8 HG3 LYS 10 2HG LYS 10 -33.839 14.287 16.593 9 HD2 LYS 10 1HD LYS 10 -34.772 16.336 18.599 10 HD3 LYS 10 2HD LYS 10 -35.493 14.738 18.406 11 HE2 LYS 10 1HE LYS 10 -33.359 13.695 18.944 12 HE3 LYS 10 2HE LYS 10 -32.610 15.282 19.102 13 HZ1 LYS 10 3HZ LYS 10 -34.026 15.763 20.961 14 HZ2 LYS 10 1HZ LYS 10 -33.227 14.301 21.244 15 HZ3 LYS 10 2HZ LYS 10 -34.852 14.301 20.781 16 H ALA 11 H ALA 11 -30.017 16.071 14.512 17 HA ALA 11 HA ALA 11 -29.724 18.971 14.198 18 HB1 ALA 11 3HB ALA 11 -27.604 18.949 15.414 19 HB2 ALA 11 1HB ALA 11 -27.819 17.237 15.774 20 HB3 ALA 11 2HB ALA 11 -28.931 18.427 16.453 21 H MET 12 H MET 12 -27.136 19.166 13.478 22 HA MET 12 HA MET 12 -27.006 18.162 10.879 23 HB2 MET 12 1HB MET 12 -24.611 18.813 10.924 24 HB3 MET 12 2HB MET 12 -25.679 20.078 11.508 25 HG2 MET 12 1HG MET 12 -25.083 19.601 13.786 26 HG3 MET 12 2HG MET 12 -24.131 18.206 13.282 27 HE1 MET 12 3HE MET 12 -24.270 21.688 11.409 28 HE2 MET 12 1HE MET 12 -22.998 22.565 12.258 29 HE3 MET 12 2HE MET 12 -24.473 22.106 13.109 30 H ALA 13 H ALA 13 -26.655 16.192 10.134 31 HA ALA 13 HA ALA 13 -25.267 14.276 11.898 32 HB1 ALA 13 3HB ALA 13 -27.666 13.808 11.637 33 HB2 ALA 13 1HB ALA 13 -26.656 12.521 10.975 34 HB3 ALA 13 2HB ALA 13 -27.436 13.675 9.894 35 H ASP 14 H ASP 14 -24.498 16.104 9.533 36 HA ASP 14 HA ASP 14 -22.944 16.106 7.894 37 HB2 ASP 14 1HB ASP 14 -22.350 13.400 9.067 38 HB3 ASP 14 2HB ASP 14 -21.484 14.001 7.660 39 H ILE 15 H ILE 15 -24.290 16.323 6.204 40 HA ILE 15 HA ILE 15 -25.220 15.864 4.197 41 HB ILE 15 HB ILE 15 -23.850 13.174 4.399 42 HG12 ILE 15 1HG1 ILE 15 -22.910 15.743 3.095 43 HG13 ILE 15 2HG1 ILE 15 -22.281 15.082 4.599 44 HG21 ILE 15 1HG2 ILE 15 -24.039 13.147 1.955 45 HG22 ILE 15 2HG2 ILE 15 -24.919 14.673 2.004 46 HG23 ILE 15 3HG2 ILE 15 -25.625 13.224 2.722 47 HD11 ILE 15 3HD1 ILE 15 -20.795 14.606 2.748 48 HD12 ILE 15 1HD1 ILE 15 -22.103 13.793 1.886 49 HD13 ILE 15 2HD1 ILE 15 -21.483 13.114 3.390 50 H GLY 16 H GLY 16 -27.318 15.924 4.985 51 HA2 GLY 16 1HA GLY 16 -29.391 14.824 4.521 52 HA3 GLY 16 2HA GLY 16 -28.623 13.291 4.905 53 H SER 17 H SER 17 -28.576 16.295 6.778 54 HA SER 17 HA SER 17 -29.239 14.999 9.199 55 HB2 SER 17 1HB SER 17 -29.483 17.940 8.513 56 HB3 SER 17 2HB SER 17 -29.395 17.247 10.133 57 HG SER 17 HG SER 17 -27.392 18.004 8.613 58 H THR 18 H THR 18 -31.120 14.039 9.525 59 HA THR 18 HA THR 18 -33.338 13.702 9.837 60 HB THR 18 HB THR 18 -33.683 16.602 9.050 61 HG1 THR 18 1HG THR 18 -32.534 16.544 10.940 62 HG21 THR 18 3HG2 THR 18 -35.588 14.701 10.423 63 HG22 THR 18 1HG2 THR 18 -35.759 15.334 8.787 64 HG23 THR 18 2HG2 THR 18 -35.863 16.423 10.171 65 H ALA 19 H ALA 19 -32.880 15.775 6.967 66 HA ALA 19 HA ALA 19 -34.478 13.828 5.436 67 HB1 ALA 19 3HB ALA 19 -35.560 16.014 5.569 68 HB2 ALA 19 1HB ALA 19 -35.048 15.666 3.917 69 HB3 ALA 19 2HB ALA 19 -34.113 16.780 4.915 70 H VAL 20 H VAL 20 -33.433 12.759 3.869 71 HA VAL 20 HA VAL 20 -30.692 13.529 3.281 72 HB VAL 20 HB VAL 20 -31.082 11.182 3.778 73 HG11 VAL 20 1HG1 VAL 20 -32.353 9.734 2.268 74 HG12 VAL 20 2HG1 VAL 20 -32.873 11.150 1.354 75 HG13 VAL 20 3HG1 VAL 20 -33.375 10.950 3.032 76 HG21 VAL 20 3HG2 VAL 20 -30.017 10.173 1.804 77 HG22 VAL 20 1HG2 VAL 20 -29.262 11.694 2.281 78 HG23 VAL 20 2HG2 VAL 20 -30.349 11.646 0.894 79 HA PRO 21 HA PRO 21 -32.167 15.620 -0.350 80 HB2 PRO 21 2HB PRO 21 -29.821 16.668 -1.135 81 HB3 PRO 21 1HB PRO 21 -30.684 17.264 0.286 82 HG2 PRO 21 2HG PRO 21 -28.344 15.411 0.130 83 HG3 PRO 21 1HG PRO 21 -28.644 16.745 1.260 84 HD2 PRO 21 2HD PRO 21 -29.078 14.102 1.857 85 HD3 PRO 21 1HD PRO 21 -29.936 15.449 2.631 86 H ARG 22 H ARG 22 -29.697 13.171 -0.339 87 HA ARG 22 HA ARG 22 -30.306 12.521 -3.108 88 HB2 ARG 22 1HB ARG 22 -28.367 14.139 -3.068 89 HB3 ARG 22 2HB ARG 22 -27.453 12.914 -2.203 90 HG2 ARG 22 1HG ARG 22 -27.656 11.400 -4.091 91 HG3 ARG 22 2HG ARG 22 -28.626 12.594 -4.958 92 HD2 ARG 22 1HD ARG 22 -25.750 12.868 -4.098 93 HD3 ARG 22 2HD ARG 22 -26.350 12.695 -5.747 94 HE ARG 22 HE ARG 22 -27.541 14.951 -4.562 95 HH11 ARG 22 1HH1 ARG 22 -24.446 13.857 -5.754 96 HH12 ARG 22 2HH1 ARG 22 -23.888 15.450 -6.143 97 HH21 ARG 22 1HH2 ARG 22 -26.822 17.051 -5.058 98 HH22 ARG 22 2HH2 ARG 22 -25.247 17.282 -5.749 99 H ASP 23 H ASP 23 -31.310 10.760 -1.891 100 HA ASP 23 HA ASP 23 -29.578 8.882 -0.546 101 HB2 ASP 23 1HB ASP 23 -31.894 9.179 0.218 102 HB3 ASP 23 2HB ASP 23 -32.484 8.626 -1.347 103 H VAL 24 H VAL 24 -28.409 7.390 -1.529 104 HA VAL 24 HA VAL 24 -29.318 6.364 -4.128 105 HB VAL 24 HB VAL 24 -26.961 6.275 -4.887 106 HG11 VAL 24 1HG1 VAL 24 -27.956 9.027 -4.157 107 HG12 VAL 24 2HG1 VAL 24 -28.390 8.107 -5.597 108 HG13 VAL 24 3HG1 VAL 24 -26.736 8.668 -5.375 109 HG21 VAL 24 3HG2 VAL 24 -25.843 6.277 -2.728 110 HG22 VAL 24 1HG2 VAL 24 -26.416 7.916 -2.413 111 HG23 VAL 24 2HG2 VAL 24 -25.267 7.618 -3.717 112 H ASN 25 H ASN 25 -28.069 4.331 -4.720 113 HA ASN 25 HA ASN 25 -28.435 2.401 -2.691 114 HB2 ASN 25 1HB ASN 25 -26.951 2.195 -5.323 115 HB3 ASN 25 2HB ASN 25 -27.379 0.829 -4.302 116 HD21 ASN 25 2HD2 ASN 25 -29.521 0.176 -4.174 117 HD22 ASN 25 1HD2 ASN 25 -30.711 0.700 -5.311 118 H GLY 26 H GLY 26 -27.158 2.017 -1.012 119 HA2 GLY 26 1HA GLY 26 -24.961 1.318 -0.220 120 HA3 GLY 26 2HA GLY 26 -24.260 2.492 -1.325 121 H GLY 27 H GLY 27 -26.765 4.141 -0.353 122 HA2 GLY 27 1HA GLY 27 -27.335 5.370 1.572 123 HA3 GLY 27 2HA GLY 27 -25.830 4.857 2.318 124 H THR 28 H THR 28 -24.253 6.302 2.426 125 HA THR 28 HA THR 28 -24.593 8.861 1.122 126 HB THR 28 HB THR 28 -22.201 8.092 2.778 127 HG1 THR 28 1HG THR 28 -24.811 8.790 3.716 128 HG21 THR 28 3HG2 THR 28 -23.765 10.666 2.494 129 HG22 THR 28 1HG2 THR 28 -22.222 10.315 1.717 130 HG23 THR 28 2HG2 THR 28 -22.318 10.441 3.474 131 HA PRO 29 HA PRO 29 -22.573 7.883 -2.655 132 HB2 PRO 29 2HB PRO 29 -21.388 10.601 -2.249 133 HB3 PRO 29 1HB PRO 29 -22.105 9.889 -3.699 134 HG2 PRO 29 2HG PRO 29 -23.504 11.574 -2.184 135 HG3 PRO 29 1HG PRO 29 -24.272 10.162 -2.930 136 HD2 PRO 29 2HD PRO 29 -23.566 10.650 -0.091 137 HD3 PRO 29 1HD PRO 29 -24.845 9.633 -0.782 138 HA PRO 30 HA PRO 30 -17.881 8.549 -1.488 139 HB2 PRO 30 2HB PRO 30 -17.945 8.811 1.443 140 HB3 PRO 30 1HB PRO 30 -17.024 9.735 0.254 141 HG2 PRO 30 2HG PRO 30 -19.107 10.799 1.572 142 HG3 PRO 30 1HG PRO 30 -18.730 11.231 -0.102 143 HD2 PRO 30 2HD PRO 30 -20.826 9.392 0.952 144 HD3 PRO 30 1HD PRO 30 -20.919 10.554 -0.384 145 H LYS 31 H LYS 31 -17.612 6.447 -1.937 146 HA LYS 31 HA LYS 31 -18.629 4.365 -0.207 147 HB2 LYS 31 1HB LYS 31 -18.658 4.329 -2.745 148 HB3 LYS 31 2HB LYS 31 -16.922 4.053 -2.657 149 HG2 LYS 31 1HG LYS 31 -17.365 2.005 -1.334 150 HG3 LYS 31 2HG LYS 31 -19.092 2.261 -1.593 151 HD2 LYS 31 1HD LYS 31 -18.808 2.061 -3.979 152 HD3 LYS 31 2HD LYS 31 -17.057 1.952 -3.795 153 HE2 LYS 31 1HE LYS 31 -17.353 -0.128 -2.506 154 HE3 LYS 31 2HE LYS 31 -19.092 -0.030 -2.780 155 HZ1 LYS 31 3HZ LYS 31 -17.018 -0.282 -4.888 156 HZ2 LYS 31 1HZ LYS 31 -18.687 -0.181 -5.155 157 HZ3 LYS 31 2HZ LYS 31 -18.038 -1.521 -4.351 158 H SER 32 H SER 32 -16.928 5.560 1.384 159 HA SER 32 HA SER 32 -14.214 4.768 1.080 160 HB2 SER 32 1HB SER 32 -14.707 6.729 2.345 161 HB3 SER 32 2HB SER 32 -15.729 5.834 3.467 162 HG SER 32 HG SER 32 -13.947 4.895 4.338 163 H CYS 33 H CYS 33 -13.043 3.333 2.306 164 HA CYS 33 HA CYS 33 -14.365 0.803 2.633 165 HB2 CYS 33 2HB CYS 33 -11.883 0.239 3.383 166 HB3 CYS 33 1HB CYS 33 -12.296 0.489 1.689 167 H SER 34 H SER 34 -14.326 -0.494 4.513 168 HA SER 34 HA SER 34 -15.151 0.947 6.816 169 HB2 SER 34 1HB SER 34 -14.627 -2.018 6.554 170 HB3 SER 34 2HB SER 34 -15.666 -1.222 7.738 171 HG SER 34 HG SER 34 -16.869 -0.433 5.830 172 H SER 35 H SER 35 -12.110 0.354 5.782 173 HA SER 35 HA SER 35 -10.852 -0.365 8.257 174 HB2 SER 35 1HB SER 35 -8.767 0.347 6.928 175 HB3 SER 35 2HB SER 35 -9.690 -1.021 6.305 176 HG SER 35 HG SER 35 -9.627 1.651 5.364 177 H GLY 36 H GLY 36 -12.307 2.407 7.178 178 HA2 GLY 36 1HA GLY 36 -12.419 4.362 8.556 179 HA3 GLY 36 2HA GLY 36 -10.766 4.048 9.069 180 HA PRO 37 HA PRO 37 -9.718 7.289 6.136 181 HB2 PRO 37 2HB PRO 37 -7.017 6.186 6.593 182 HB3 PRO 37 1HB PRO 37 -7.591 7.847 6.739 183 HG2 PRO 37 2HG PRO 37 -7.045 6.331 8.892 184 HG3 PRO 37 1HG PRO 37 -8.334 7.547 8.892 185 HD2 PRO 37 2HD PRO 37 -8.525 4.585 8.756 186 HD3 PRO 37 1HD PRO 37 -9.645 5.769 9.456 187 H VAL 38 H VAL 38 -9.101 7.363 4.060 188 HA VAL 38 HA VAL 38 -8.662 4.836 2.645 189 HB VAL 38 HB VAL 38 -9.280 7.629 1.626 190 HG11 VAL 38 1HG1 VAL 38 -7.957 6.403 -0.014 191 HG12 VAL 38 2HG1 VAL 38 -9.621 6.609 -0.565 192 HG13 VAL 38 3HG1 VAL 38 -9.088 5.053 0.074 193 HG21 VAL 38 3HG2 VAL 38 -11.135 6.563 2.789 194 HG22 VAL 38 1HG2 VAL 38 -10.978 5.152 1.743 195 HG23 VAL 38 2HG2 VAL 38 -11.459 6.707 1.060 196 H TYR 39 H TYR 39 -6.910 4.999 0.843 197 HA TYR 39 HA TYR 39 -4.724 6.680 1.857 198 HB2 TYR 39 2HB TYR 39 -4.467 3.856 0.834 199 HB3 TYR 39 1HB TYR 39 -3.123 4.903 1.263 200 HD1 TYR 39 1HD TYR 39 -2.639 5.424 3.594 201 HD2 TYR 39 2HD TYR 39 -5.858 2.844 2.555 202 HE1 TYR 39 1HE TYR 39 -2.772 4.660 5.927 203 HE2 TYR 39 2HE TYR 39 -6.000 2.071 4.885 204 HH TYR 39 HH TYR 39 -4.394 3.645 7.445 205 H CYS 40 H CYS 40 -3.589 7.788 0.481 206 HA CYS 40 HA CYS 40 -4.285 7.558 -2.363 207 HB2 CYS 40 2HB CYS 40 -4.810 9.708 -1.245 208 HB3 CYS 40 1HB CYS 40 -3.107 9.898 -0.854 209 H CYS 41 H CYS 41 -2.781 6.470 -3.487 210 HA CYS 41 HA CYS 41 0.027 6.757 -2.633 211 HB2 CYS 41 2HB CYS 41 -1.269 4.501 -4.186 212 HB3 CYS 41 1HB CYS 41 0.419 4.578 -3.690 213 H ASN 42 H ASN 42 1.370 7.689 -3.965 214 HA ASN 42 HA ASN 42 0.531 8.920 -6.354 215 HB2 ASN 42 1HB ASN 42 3.301 8.292 -5.330 216 HB3 ASN 42 2HB ASN 42 2.963 9.341 -6.705 217 HD21 ASN 42 2HD2 ASN 42 0.614 10.526 -5.536 218 HD22 ASN 42 1HD2 ASN 42 1.159 11.579 -4.280 219 H LYS 43 H LYS 43 1.605 5.791 -5.629 220 HA LYS 43 HA LYS 43 0.784 4.797 -8.146 221 HB2 LYS 43 1HB LYS 43 3.354 5.636 -8.210 222 HB3 LYS 43 2HB LYS 43 3.589 4.009 -7.595 223 HG2 LYS 43 1HG LYS 43 3.805 4.102 -10.015 224 HG3 LYS 43 2HG LYS 43 2.436 3.098 -9.525 225 HD2 LYS 43 1HD LYS 43 0.873 4.714 -10.161 226 HD3 LYS 43 2HD LYS 43 2.077 6.003 -10.174 227 HE2 LYS 43 1HE LYS 43 3.148 4.957 -12.097 228 HE3 LYS 43 2HE LYS 43 1.909 3.705 -12.109 229 HZ1 LYS 43 3HZ LYS 43 0.245 5.419 -12.495 230 HZ2 LYS 43 1HZ LYS 43 1.416 5.432 -13.715 231 HZ3 LYS 43 2HZ LYS 43 1.440 6.611 -12.499 232 H THR 44 H THR 44 -0.088 2.786 -7.673 233 HA THR 44 HA THR 44 0.942 1.452 -5.297 234 HB THR 44 HB THR 44 -0.810 -0.273 -5.789 235 HG1 THR 44 1HG THR 44 -2.122 1.560 -7.441 236 HG21 THR 44 3HG2 THR 44 -1.084 1.529 -4.156 237 HG22 THR 44 1HG2 THR 44 -2.610 1.102 -4.923 238 HG23 THR 44 2HG2 THR 44 -1.763 2.570 -5.410 239 H GLU 45 H GLU 45 1.658 -0.679 -5.320 240 HA GLU 45 HA GLU 45 2.955 -1.452 -7.861 241 HB2 GLU 45 1HB GLU 45 4.491 -0.495 -6.116 242 HB3 GLU 45 2HB GLU 45 4.040 -1.827 -5.062 243 HG2 GLU 45 1HG GLU 45 6.170 -2.258 -6.120 244 HG3 GLU 45 2HG GLU 45 4.962 -3.418 -6.666 245 H ASP 46 H ASP 46 3.001 -3.649 -8.348 246 HA ASP 46 HA ASP 46 0.780 -5.134 -7.377 247 HB2 ASP 46 1HB ASP 46 3.086 -6.033 -9.115 248 HB3 ASP 46 2HB ASP 46 1.615 -6.956 -8.830 249 H SER 47 H SER 47 0.716 -6.028 -5.447 250 HA SER 47 HA SER 47 3.032 -6.430 -3.862 251 HB2 SER 47 1HB SER 47 1.533 -7.149 -2.139 252 HB3 SER 47 2HB SER 47 0.759 -5.823 -2.999 253 HG SER 47 HG SER 47 -0.469 -7.377 -4.144 254 H LYS 48 H LYS 48 1.995 -8.316 -6.319 255 HA LYS 48 HA LYS 48 2.261 -10.885 -5.063 256 HB2 LYS 48 1HB LYS 48 2.171 -10.199 -8.003 257 HB3 LYS 48 2HB LYS 48 1.993 -11.800 -7.307 258 HG2 LYS 48 1HG LYS 48 0.138 -9.479 -6.875 259 HG3 LYS 48 2HG LYS 48 -0.144 -10.839 -7.959 260 HD2 LYS 48 1HD LYS 48 0.193 -11.018 -4.965 261 HD3 LYS 48 2HD LYS 48 -1.347 -11.071 -5.817 262 HE2 LYS 48 1HE LYS 48 -0.629 -13.108 -6.977 263 HE3 LYS 48 2HE LYS 48 0.907 -13.053 -6.114 264 HZ1 LYS 48 3HZ LYS 48 -0.620 -14.587 -5.062 265 HZ2 LYS 48 1HZ LYS 48 -1.772 -13.363 -4.872 266 HZ3 LYS 48 2HZ LYS 48 -0.306 -13.285 -4.033 267 H HIS 49 H HIS 49 4.197 -8.835 -7.200 268 HA HIS 49 HA HIS 49 6.597 -10.223 -6.325 269 HB2 HIS 49 1HB HIS 49 5.881 -9.804 -9.233 270 HB3 HIS 49 2HB HIS 49 7.423 -10.382 -8.642 271 HD1 HIS 49 HD1 HIS 49 7.398 -12.796 -7.491 272 HD2 HIS 49 HD2 HIS 49 3.949 -11.723 -9.547 273 HE1 HIS 49 HE1 HIS 49 6.099 -14.928 -7.794 274 HE2 HIS 49 HE2 HIS 49 3.965 -14.238 -8.946 275 H LEU 50 H LEU 50 6.482 -8.110 -5.184 276 HA LEU 50 HA LEU 50 6.634 -5.624 -6.345 277 HB2 LEU 50 1HB LEU 50 7.913 -6.678 -3.837 278 HB3 LEU 50 2HB LEU 50 7.905 -4.994 -4.276 279 HG LEU 50 HG LEU 50 6.188 -5.242 -2.713 280 HD11 LEU 50 1HD1 LEU 50 4.856 -5.328 -5.390 281 HD12 LEU 50 2HD1 LEU 50 5.585 -3.902 -4.651 282 HD13 LEU 50 3HD1 LEU 50 4.187 -4.667 -3.899 283 HD21 LEU 50 3HD2 LEU 50 6.080 -7.708 -2.855 284 HD22 LEU 50 1HD2 LEU 50 5.034 -7.522 -4.261 285 HD23 LEU 50 2HD2 LEU 50 4.519 -6.903 -2.690 286 H ASP 51 H ASP 51 8.297 -4.231 -6.807 287 HA ASP 51 HA ASP 51 10.592 -5.129 -8.130 288 HB2 ASP 51 1HB ASP 51 9.483 -2.859 -8.275 289 HB3 ASP 51 2HB ASP 51 10.227 -2.470 -6.737 290 H LYS 52 H LYS 52 12.849 -5.062 -7.421 291 HA LYS 52 HA LYS 52 13.344 -6.070 -4.866 292 HB2 LYS 52 1HB LYS 52 15.176 -4.624 -6.756 293 HB3 LYS 52 2HB LYS 52 15.706 -5.329 -5.233 294 HG2 LYS 52 1HG LYS 52 14.646 -7.503 -6.142 295 HG3 LYS 52 2HG LYS 52 14.740 -6.693 -7.710 296 HD2 LYS 52 1HD LYS 52 17.124 -6.365 -7.425 297 HD3 LYS 52 2HD LYS 52 17.037 -7.082 -5.815 298 HE2 LYS 52 1HE LYS 52 17.900 -8.687 -7.423 299 HE3 LYS 52 2HE LYS 52 16.337 -9.208 -6.799 300 HZ1 LYS 52 3HZ LYS 52 15.290 -8.455 -8.810 301 HZ2 LYS 52 1HZ LYS 52 16.550 -9.511 -9.206 302 HZ3 LYS 52 2HZ LYS 52 16.751 -7.843 -9.401 303 H GLY 53 H GLY 53 13.425 -2.757 -6.075 304 HA2 GLY 53 1HA GLY 53 14.514 -1.537 -3.790 305 HA3 GLY 53 2HA GLY 53 13.512 -0.741 -4.993 306 H THR 54 H THR 54 11.198 -2.376 -4.607 307 HA THR 54 HA THR 54 10.147 -1.062 -2.267 308 HB THR 54 HB THR 54 8.728 -2.964 -4.144 309 HG1 THR 54 1HG THR 54 9.520 -0.341 -4.428 310 HG21 THR 54 3HG2 THR 54 6.689 -1.850 -3.315 311 HG22 THR 54 1HG2 THR 54 7.671 -0.909 -2.191 312 HG23 THR 54 2HG2 THR 54 7.564 -2.664 -2.016 313 H THR 55 H THR 55 10.691 -4.366 -3.379 314 HA THR 55 HA THR 55 9.843 -5.792 -1.154 315 HB THR 55 HB THR 55 12.264 -6.306 -2.899 316 HG1 THR 55 1HG THR 55 10.559 -6.457 -4.230 317 HG21 THR 55 3HG2 THR 55 10.768 -8.186 -1.070 318 HG22 THR 55 1HG2 THR 55 12.402 -7.571 -0.821 319 HG23 THR 55 2HG2 THR 55 12.060 -8.642 -2.181 320 H ALA 56 H ALA 56 12.788 -3.977 -1.713 321 HA ALA 56 HA ALA 56 14.257 -4.623 0.543 322 HB1 ALA 56 3HB ALA 56 14.031 -1.971 -0.868 323 HB2 ALA 56 1HB ALA 56 15.142 -3.281 -1.264 324 HB3 ALA 56 2HB ALA 56 15.310 -2.415 0.266 325 H LEU 57 H LEU 57 11.882 -1.955 0.212 326 HA LEU 57 HA LEU 57 12.131 -1.004 2.854 327 HB2 LEU 57 1HB LEU 57 9.685 -0.902 1.098 328 HB3 LEU 57 2HB LEU 57 9.930 0.033 2.555 329 HG LEU 57 HG LEU 57 10.638 1.662 1.239 330 HD11 LEU 57 1HD1 LEU 57 12.957 -0.100 0.501 331 HD12 LEU 57 2HD1 LEU 57 12.830 0.788 2.022 332 HD13 LEU 57 3HD1 LEU 57 12.910 1.663 0.491 333 HD21 LEU 57 3HD2 LEU 57 10.792 1.498 -1.102 334 HD22 LEU 57 1HD2 LEU 57 9.544 0.349 -0.614 335 HD23 LEU 57 2HD2 LEU 57 11.162 -0.223 -1.023 336 H LEU 58 H LEU 58 9.921 -3.286 1.372 337 HA LEU 58 HA LEU 58 8.364 -3.876 3.622 338 HB2 LEU 58 1HB LEU 58 9.136 -5.791 1.429 339 HB3 LEU 58 2HB LEU 58 7.699 -5.857 2.432 340 HG LEU 58 HG LEU 58 8.288 -3.683 0.410 341 HD11 LEU 58 1HD1 LEU 58 6.494 -4.703 -0.886 342 HD12 LEU 58 2HD1 LEU 58 6.359 -5.998 0.306 343 HD13 LEU 58 3HD1 LEU 58 7.830 -5.831 -0.651 344 HD21 LEU 58 3HD2 LEU 58 5.993 -2.991 0.808 345 HD22 LEU 58 1HD2 LEU 58 6.929 -2.921 2.300 346 HD23 LEU 58 2HD2 LEU 58 5.805 -4.250 2.029 347 H GLY 59 H GLY 59 11.300 -5.396 2.357 348 HA2 GLY 59 1HA GLY 59 11.652 -7.304 4.359 349 HA3 GLY 59 2HA GLY 59 12.942 -6.601 3.399 350 H LEU 60 H LEU 60 12.464 -3.867 4.359 351 HA LEU 60 HA LEU 60 14.150 -3.790 6.604 352 HB2 LEU 60 1HB LEU 60 12.123 -1.704 5.783 353 HB3 LEU 60 2HB LEU 60 13.498 -1.445 6.834 354 HG LEU 60 HG LEU 60 13.518 -1.960 3.871 355 HD11 LEU 60 1HD1 LEU 60 14.578 0.304 5.551 356 HD12 LEU 60 2HD1 LEU 60 13.099 0.335 4.592 357 HD13 LEU 60 3HD1 LEU 60 14.664 0.179 3.795 358 HD21 LEU 60 3HD2 LEU 60 15.854 -1.877 5.763 359 HD22 LEU 60 1HD2 LEU 60 15.945 -1.967 4.004 360 HD23 LEU 60 2HD2 LEU 60 15.247 -3.303 4.925 361 H LEU 61 H LEU 61 10.693 -3.655 6.280 362 HA LEU 61 HA LEU 61 10.279 -3.467 9.159 363 HB2 LEU 61 1HB LEU 61 8.256 -3.647 6.931 364 HB3 LEU 61 2HB LEU 61 7.947 -3.173 8.593 365 HG LEU 61 HG LEU 61 9.939 -1.565 7.094 366 HD11 LEU 61 1HD1 LEU 61 8.173 -0.228 6.055 367 HD12 LEU 61 2HD1 LEU 61 6.976 -1.411 6.584 368 HD13 LEU 61 3HD1 LEU 61 8.221 -1.873 5.421 369 HD21 LEU 61 3HD2 LEU 61 9.347 -1.085 9.428 370 HD22 LEU 61 1HD2 LEU 61 7.669 -0.846 8.940 371 HD23 LEU 61 2HD2 LEU 61 8.925 0.243 8.346 372 H ASN 62 H ASN 62 10.770 -5.838 6.932 373 HA ASN 62 HA ASN 62 10.756 -8.096 7.027 374 HB2 ASN 62 1HB ASN 62 11.310 -7.747 9.455 375 HB3 ASN 62 2HB ASN 62 9.592 -7.897 9.789 376 HD21 ASN 62 2HD2 ASN 62 9.806 -9.732 11.019 377 HD22 ASN 62 1HD2 ASN 62 10.224 -11.268 10.346 378 H ILE 63 H ILE 63 8.603 -6.618 5.943 379 HA ILE 63 HA ILE 63 6.156 -7.997 6.549 380 HB ILE 63 HB ILE 63 6.926 -6.243 4.202 381 HG12 ILE 63 1HG1 ILE 63 5.155 -5.541 6.534 382 HG13 ILE 63 2HG1 ILE 63 6.900 -5.301 6.590 383 HG21 ILE 63 1HG2 ILE 63 5.070 -7.721 3.622 384 HG22 ILE 63 2HG2 ILE 63 4.527 -6.046 3.772 385 HG23 ILE 63 3HG2 ILE 63 4.198 -7.201 5.065 386 HD11 ILE 63 3HD1 ILE 63 5.640 -3.282 5.971 387 HD12 ILE 63 1HD1 ILE 63 5.080 -4.116 4.518 388 HD13 ILE 63 2HD1 ILE 63 6.803 -3.794 4.747 389 H LYS 64 H LYS 64 5.140 -9.532 5.282 390 HA LYS 64 HA LYS 64 6.974 -11.232 3.796 391 HB2 LYS 64 1HB LYS 64 5.087 -12.909 3.990 392 HB3 LYS 64 2HB LYS 64 5.837 -12.427 5.501 393 HG2 LYS 64 1HG LYS 64 3.365 -11.040 4.561 394 HG3 LYS 64 2HG LYS 64 3.250 -12.627 5.316 395 HD2 LYS 64 1HD LYS 64 4.395 -11.767 7.298 396 HD3 LYS 64 2HD LYS 64 4.514 -10.180 6.549 397 HE2 LYS 64 1HE LYS 64 2.651 -10.298 8.133 398 HE3 LYS 64 2HE LYS 64 2.095 -9.997 6.488 399 HZ1 LYS 64 3HZ LYS 64 2.136 -12.689 7.733 400 HZ2 LYS 64 1HZ LYS 64 1.402 -12.242 6.274 401 HZ3 LYS 64 2HZ LYS 64 0.783 -11.676 7.744 402 H ILE 65 H ILE 65 7.005 -11.150 1.687 403 HA ILE 65 HA ILE 65 5.109 -9.572 0.234 404 HB ILE 65 HB ILE 65 7.592 -11.072 -0.562 405 HG12 ILE 65 1HG1 ILE 65 8.324 -8.801 -1.272 406 HG13 ILE 65 2HG1 ILE 65 6.801 -8.161 -0.679 407 HG21 ILE 65 1HG2 ILE 65 5.989 -11.366 -2.388 408 HG22 ILE 65 2HG2 ILE 65 7.319 -10.303 -2.852 409 HG23 ILE 65 3HG2 ILE 65 5.748 -9.619 -2.440 410 HD11 ILE 65 3HD1 ILE 65 8.678 -7.776 0.865 411 HD12 ILE 65 1HD1 ILE 65 8.887 -9.522 1.016 412 HD13 ILE 65 2HD1 ILE 65 7.403 -8.762 1.588 413 H GLY 66 H GLY 66 5.862 -13.022 0.464 414 HA2 GLY 66 1HA GLY 66 4.183 -13.807 -1.704 415 HA3 GLY 66 2HA GLY 66 4.861 -14.870 -0.483 416 H ASP 67 H ASP 67 3.412 -12.678 1.325 417 HA ASP 67 HA ASP 67 0.922 -14.225 1.490 418 HB2 ASP 67 1HB ASP 67 2.262 -14.285 3.507 419 HB3 ASP 67 2HB ASP 67 2.376 -12.532 3.526 420 H LEU 68 H LEU 68 2.156 -11.269 0.489 421 HA LEU 68 HA LEU 68 0.132 -9.470 1.235 422 HB2 LEU 68 1HB LEU 68 1.968 -9.448 -1.156 423 HB3 LEU 68 2HB LEU 68 0.952 -8.106 -0.667 424 HG LEU 68 HG LEU 68 3.186 -9.283 0.980 425 HD11 LEU 68 1HD1 LEU 68 4.010 -8.083 -0.972 426 HD12 LEU 68 2HD1 LEU 68 4.349 -7.195 0.513 427 HD13 LEU 68 3HD1 LEU 68 3.027 -6.685 -0.536 428 HD21 LEU 68 3HD2 LEU 68 2.812 -7.222 2.354 429 HD22 LEU 68 1HD2 LEU 68 1.517 -8.420 2.436 430 HD23 LEU 68 2HD2 LEU 68 1.314 -6.976 1.447 431 H LYS 69 H LYS 69 -1.549 -8.560 -0.027 432 HA LYS 69 HA LYS 69 -2.977 -10.715 -1.335 433 HB2 LYS 69 1HB LYS 69 -3.921 -8.145 -0.107 434 HB3 LYS 69 2HB LYS 69 -4.963 -9.351 -0.821 435 HG2 LYS 69 1HG LYS 69 -3.199 -9.724 1.581 436 HG3 LYS 69 2HG LYS 69 -4.957 -9.578 1.582 437 HD2 LYS 69 1HD LYS 69 -5.118 -11.642 0.262 438 HD3 LYS 69 2HD LYS 69 -3.361 -11.786 0.287 439 HE2 LYS 69 1HE LYS 69 -5.167 -11.821 2.700 440 HE3 LYS 69 2HE LYS 69 -4.411 -13.230 1.959 441 HZ1 LYS 69 3HZ LYS 69 -3.124 -12.568 3.836 442 HZ2 LYS 69 1HZ LYS 69 -3.034 -10.966 3.299 443 HZ3 LYS 69 2HZ LYS 69 -2.231 -12.190 2.448 444 H ASP 70 H ASP 70 -3.334 -7.183 -1.781 445 HA ASP 70 HA ASP 70 -3.762 -7.789 -4.625 446 HB2 ASP 70 1HB ASP 70 -5.403 -6.460 -2.846 447 HB3 ASP 70 2HB ASP 70 -4.639 -5.151 -3.733 448 H LEU 71 H LEU 71 -3.141 -4.607 -3.247 449 HA LEU 71 HA LEU 71 -0.645 -4.484 -4.805 450 HB2 LEU 71 1HB LEU 71 -2.706 -2.352 -4.291 451 HB3 LEU 71 2HB LEU 71 -1.080 -1.976 -4.806 452 HG LEU 71 HG LEU 71 -2.083 -1.909 -6.809 453 HD11 LEU 71 1HD1 LEU 71 -0.481 -3.692 -7.020 454 HD12 LEU 71 2HD1 LEU 71 -1.870 -3.987 -8.062 455 HD13 LEU 71 3HD1 LEU 71 -1.701 -4.875 -6.549 456 HD21 LEU 71 3HD2 LEU 71 -4.051 -4.031 -5.986 457 HD22 LEU 71 1HD2 LEU 71 -4.121 -3.024 -7.433 458 HD23 LEU 71 2HD2 LEU 71 -4.317 -2.292 -5.837 459 H VAL 72 H VAL 72 0.909 -2.912 -4.012 460 HA VAL 72 HA VAL 72 0.516 -2.109 -1.207 461 HB VAL 72 HB VAL 72 2.603 -2.630 -0.556 462 HG11 VAL 72 1HG1 VAL 72 2.462 -4.309 -3.033 463 HG12 VAL 72 2HG1 VAL 72 1.974 -4.740 -1.395 464 HG13 VAL 72 3HG1 VAL 72 3.682 -4.513 -1.777 465 HG21 VAL 72 3HG2 VAL 72 3.839 -0.980 -1.623 466 HG22 VAL 72 1HG2 VAL 72 3.534 -1.659 -3.227 467 HG23 VAL 72 2HG2 VAL 72 4.630 -2.483 -2.120 468 H GLY 73 H GLY 73 1.833 0.008 -0.812 469 HA2 GLY 73 1HA GLY 73 1.888 1.587 -3.280 470 HA3 GLY 73 2HA GLY 73 0.962 2.165 -1.906 471 H LEU 74 H LEU 74 3.401 3.201 -3.347 472 HA LEU 74 HA LEU 74 5.117 3.336 -0.985 473 HB2 LEU 74 1HB LEU 74 6.969 3.994 -2.331 474 HB3 LEU 74 2HB LEU 74 6.269 2.552 -3.016 475 HG LEU 74 HG LEU 74 6.959 3.864 -4.825 476 HD11 LEU 74 1HD1 LEU 74 4.789 2.903 -5.207 477 HD12 LEU 74 2HD1 LEU 74 4.935 4.460 -6.032 478 HD13 LEU 74 3HD1 LEU 74 4.011 4.340 -4.534 479 HD21 LEU 74 3HD2 LEU 74 6.330 6.218 -5.160 480 HD22 LEU 74 1HD2 LEU 74 7.338 5.967 -3.735 481 HD23 LEU 74 2HD2 LEU 74 5.605 6.231 -3.554 482 H ASN 75 H ASN 75 5.222 5.051 0.170 483 HA ASN 75 HA ASN 75 4.918 7.131 0.984 484 HB2 ASN 75 1HB ASN 75 5.316 7.900 -1.916 485 HB3 ASN 75 2HB ASN 75 5.353 9.022 -0.557 486 HD21 ASN 75 2HD2 ASN 75 7.088 9.025 0.824 487 HD22 ASN 75 1HD2 ASN 75 8.560 8.176 0.500 488 H CYS 76 H CYS 76 2.659 5.894 0.950 489 HA CYS 76 HA CYS 76 0.635 7.321 -0.557 490 HB2 CYS 76 2HB CYS 76 0.325 5.123 1.497 491 HB3 CYS 76 1HB CYS 76 -0.921 5.710 0.401 492 H SER 77 H SER 77 -0.882 8.653 0.271 493 HA SER 77 HA SER 77 -0.359 9.724 2.954 494 HB2 SER 77 1HB SER 77 -1.984 10.910 0.691 495 HB3 SER 77 2HB SER 77 -1.565 11.710 2.204 496 HG SER 77 HG SER 77 -0.041 12.410 0.852 497 HA PRO 78 HA PRO 78 -4.206 7.752 4.207 498 HB2 PRO 78 2HB PRO 78 -3.830 9.192 6.730 499 HB3 PRO 78 1HB PRO 78 -3.855 7.453 6.431 500 HG2 PRO 78 2HG PRO 78 -1.592 8.764 7.089 501 HG3 PRO 78 1HG PRO 78 -1.594 7.357 6.010 502 HD2 PRO 78 2HD PRO 78 -1.433 10.272 5.322 503 HD3 PRO 78 1HD PRO 78 -0.533 8.900 4.641 504 H LEU 79 H LEU 79 -6.159 8.430 3.793 505 HA LEU 79 HA LEU 79 -6.835 11.283 4.105 506 HB2 LEU 79 1HB LEU 79 -8.408 9.276 2.517 507 HB3 LEU 79 2HB LEU 79 -8.356 11.019 2.331 508 HG LEU 79 HG LEU 79 -6.024 9.218 1.690 509 HD11 LEU 79 1HD1 LEU 79 -7.900 8.639 0.267 510 HD12 LEU 79 2HD1 LEU 79 -6.649 9.473 -0.648 511 HD13 LEU 79 3HD1 LEU 79 -8.112 10.335 -0.170 512 HD21 LEU 79 3HD2 LEU 79 -5.388 11.502 2.123 513 HD22 LEU 79 1HD2 LEU 79 -6.639 12.092 1.026 514 HD23 LEU 79 2HD2 LEU 79 -5.273 11.176 0.392 515 H SER 80 H SER 80 -7.485 11.237 6.263 516 HA SER 80 HA SER 80 -9.143 9.090 7.260 517 HB2 SER 80 1HB SER 80 -9.001 10.520 9.391 518 HB3 SER 80 2HB SER 80 -7.501 9.828 8.778 519 HG SER 80 HG SER 80 -7.959 12.336 9.286 520 H VAL 81 H VAL 81 -9.541 12.521 6.465 521 HA VAL 81 HA VAL 81 -12.385 12.237 7.164 522 HB VAL 81 HB VAL 81 -12.379 14.733 7.540 523 HG11 VAL 81 1HG1 VAL 81 -11.483 14.545 9.807 524 HG12 VAL 81 2HG1 VAL 81 -10.663 13.048 9.362 525 HG13 VAL 81 3HG1 VAL 81 -12.425 13.117 9.372 526 HG21 VAL 81 3HG2 VAL 81 -9.387 14.322 7.567 527 HG22 VAL 81 1HG2 VAL 81 -10.226 15.782 8.089 528 HG23 VAL 81 2HG2 VAL 81 -10.293 15.283 6.399 529 H ILE 82 H ILE 82 -13.453 11.946 5.351 530 HA ILE 82 HA ILE 82 -13.138 13.978 3.246 531 HB ILE 82 HB ILE 82 -14.065 11.134 2.893 532 HG12 ILE 82 1HG1 ILE 82 -11.489 12.567 2.337 533 HG13 ILE 82 2HG1 ILE 82 -11.737 11.027 3.152 534 HG21 ILE 82 1HG2 ILE 82 -13.662 13.308 0.841 535 HG22 ILE 82 2HG2 ILE 82 -15.219 12.683 1.385 536 HG23 ILE 82 3HG2 ILE 82 -14.109 11.635 0.503 537 HD11 ILE 82 3HD1 ILE 82 -12.082 11.552 0.217 538 HD12 ILE 82 1HD1 ILE 82 -12.337 10.004 1.023 539 HD13 ILE 82 2HD1 ILE 82 -10.724 10.718 0.977 540 H GLY 83 H GLY 83 -15.119 14.766 2.319 541 HA2 GLY 83 1HA GLY 83 -17.634 14.435 2.427 542 HA3 GLY 83 2HA GLY 83 -17.397 14.445 4.170 543 H VAL 84 H VAL 84 -15.176 16.491 3.545 544 HA VAL 84 HA VAL 84 -16.934 18.839 3.436 545 HB VAL 84 HB VAL 84 -14.964 20.098 4.296 546 HG11 VAL 84 1HG1 VAL 84 -15.039 19.190 6.576 547 HG12 VAL 84 2HG1 VAL 84 -15.792 17.720 5.959 548 HG13 VAL 84 3HG1 VAL 84 -16.643 19.260 5.844 549 HG21 VAL 84 3HG2 VAL 84 -13.698 17.364 4.517 550 HG22 VAL 84 1HG2 VAL 84 -13.038 18.860 5.177 551 HG23 VAL 84 2HG2 VAL 84 -13.191 18.657 3.432 552 H GLY 85 H GLY 85 -16.238 17.286 1.113 553 HA2 GLY 85 1HA GLY 85 -15.932 18.425 -1.060 554 HA3 GLY 85 2HA GLY 85 -14.508 19.177 -0.347 555 H GLY 86 H GLY 86 -14.323 17.768 -2.708 556 HA2 GLY 86 1HA GLY 86 -13.150 15.176 -1.944 557 HA3 GLY 86 2HA GLY 86 -13.584 15.665 -3.578 558 H ASN 87 H ASN 87 -12.111 18.191 -1.980 559 HA ASN 87 HA ASN 87 -9.750 18.014 -3.589 560 HB2 ASN 87 1HB ASN 87 -10.839 20.174 -3.026 561 HB3 ASN 87 2HB ASN 87 -10.383 19.943 -1.342 562 HD21 ASN 87 2HD2 ASN 87 -9.254 20.647 -4.548 563 HD22 ASN 87 1HD2 ASN 87 -7.681 21.206 -4.089 564 H SER 88 H SER 88 -8.979 15.980 -2.806 565 HA SER 88 HA SER 88 -6.975 16.292 -0.770 566 HB2 SER 88 1HB SER 88 -9.146 14.201 -0.400 567 HB3 SER 88 2HB SER 88 -7.697 14.364 0.591 568 HG SER 88 HG SER 88 -8.957 16.725 0.509 569 H CYS 89 H CYS 89 -5.487 14.439 -0.770 570 HA CYS 89 HA CYS 89 -4.360 12.678 -1.650 571 HB2 CYS 89 2HB CYS 89 -6.274 11.316 -1.706 572 HB3 CYS 89 1HB CYS 89 -7.004 12.231 -3.013 573 H SER 90 H SER 90 -6.209 13.729 -4.534 574 HA SER 90 HA SER 90 -5.537 14.471 -6.571 575 HB2 SER 90 1HB SER 90 -3.085 15.509 -5.134 576 HB3 SER 90 2HB SER 90 -3.746 16.088 -6.663 577 HG SER 90 HG SER 90 -4.458 16.714 -4.114 578 H ALA 91 H ALA 91 -4.630 11.815 -5.548 579 HA ALA 91 HA ALA 91 -2.867 11.254 -7.790 580 HB1 ALA 91 3HB ALA 91 -1.327 9.901 -6.441 581 HB2 ALA 91 1HB ALA 91 -2.181 10.392 -4.977 582 HB3 ALA 91 2HB ALA 91 -1.309 11.588 -5.935 583 H GLN 92 H GLN 92 -2.425 8.500 -6.894 584 HA GLN 92 HA GLN 92 -4.958 7.498 -7.795 585 HB2 GLN 92 1HB GLN 92 -3.465 6.193 -8.836 586 HB3 GLN 92 2HB GLN 92 -2.185 6.624 -7.712 587 HG2 GLN 92 1HG GLN 92 -2.739 4.905 -6.253 588 HG3 GLN 92 2HG GLN 92 -4.284 4.599 -7.036 589 HE21 GLN 92 2HE2 GLN 92 -1.307 5.214 -8.743 590 HE22 GLN 92 1HE2 GLN 92 -1.153 3.632 -9.428 591 H THR 93 H THR 93 -6.525 6.752 -6.543 592 HA THR 93 HA THR 93 -6.020 6.739 -3.666 593 HB THR 93 HB THR 93 -8.817 6.638 -4.476 594 HG1 THR 93 1HG THR 93 -7.110 8.679 -5.502 595 HG21 THR 93 3HG2 THR 93 -8.021 7.277 -2.242 596 HG22 THR 93 1HG2 THR 93 -8.946 8.582 -2.990 597 HG23 THR 93 2HG2 THR 93 -7.184 8.667 -2.940 598 H VAL 94 H VAL 94 -5.961 4.896 -2.639 599 HA VAL 94 HA VAL 94 -7.600 2.641 -3.571 600 HB VAL 94 HB VAL 94 -5.730 1.100 -2.840 601 HG11 VAL 94 1HG1 VAL 94 -4.438 1.371 -4.943 602 HG12 VAL 94 2HG1 VAL 94 -5.309 2.876 -5.235 603 HG13 VAL 94 3HG1 VAL 94 -6.182 1.345 -5.168 604 HG21 VAL 94 3HG2 VAL 94 -3.470 1.960 -2.796 605 HG22 VAL 94 1HG2 VAL 94 -4.452 2.767 -1.572 606 HG23 VAL 94 2HG2 VAL 94 -4.064 3.600 -3.081 607 H CYS 95 H CYS 95 -7.874 0.981 -1.892 608 HA CYS 95 HA CYS 95 -7.710 2.112 0.819 609 HB2 CYS 95 2HB CYS 95 -9.758 0.336 -0.467 610 HB3 CYS 95 1HB CYS 95 -9.518 0.285 1.277 611 H CYS 96 H CYS 96 -6.464 1.081 2.227 612 HA CYS 96 HA CYS 96 -5.294 -1.481 1.372 613 HB2 CYS 96 2HB CYS 96 -3.843 0.749 2.799 614 HB3 CYS 96 1HB CYS 96 -3.143 -0.706 2.086 615 H THR 97 H THR 97 -4.547 -2.873 3.034 616 HA THR 97 HA THR 97 -6.500 -2.862 5.169 617 HB THR 97 HB THR 97 -5.970 -4.919 3.841 618 HG1 THR 97 1HG THR 97 -6.968 -5.336 5.748 619 HG21 THR 97 3HG2 THR 97 -3.414 -4.943 5.455 620 HG22 THR 97 1HG2 THR 97 -3.520 -4.625 3.723 621 HG23 THR 97 2HG2 THR 97 -3.972 -6.207 4.360 622 H ASN 98 H ASN 98 -3.105 -2.268 4.784 623 HA ASN 98 HA ASN 98 -2.938 -1.306 7.511 624 HB2 ASN 98 1HB ASN 98 -1.147 -3.546 6.543 625 HB3 ASN 98 2HB ASN 98 -0.781 -2.549 7.940 626 HD21 ASN 98 2HD2 ASN 98 -2.101 -2.732 9.791 627 HD22 ASN 98 1HD2 ASN 98 -3.054 -4.147 10.068 628 H THR 99 H THR 99 -0.984 -0.041 7.867 629 HA THR 99 HA THR 99 0.519 0.596 5.433 630 HB THR 99 HB THR 99 -1.206 2.328 5.663 631 HG1 THR 99 1HG THR 99 0.742 3.030 4.821 632 HG21 THR 99 3HG2 THR 99 -1.171 3.878 7.566 633 HG22 THR 99 1HG2 THR 99 0.051 2.877 8.351 634 HG23 THR 99 2HG2 THR 99 -1.568 2.236 8.068 635 H TYR 100 H TYR 100 2.646 1.283 5.782 636 HA TYR 100 HA TYR 100 3.594 1.280 8.563 637 HB2 TYR 100 2HB TYR 100 4.940 -0.285 6.344 638 HB3 TYR 100 1HB TYR 100 5.473 -0.175 8.016 639 HD1 TYR 100 2HD TYR 100 4.236 -1.342 9.789 640 HD2 TYR 100 1HD TYR 100 3.166 -1.770 5.694 641 HE1 TYR 100 2HE TYR 100 2.921 -3.341 10.349 642 HE2 TYR 100 1HE TYR 100 1.843 -3.770 6.245 643 HH TYR 100 HH TYR 100 0.994 -4.617 9.392 644 H GLN 101 H GLN 101 5.695 2.309 8.815 645 HA GLN 101 HA GLN 101 7.242 3.932 8.427 646 HB2 GLN 101 1HB GLN 101 6.768 2.943 5.632 647 HB3 GLN 101 2HB GLN 101 7.871 4.267 5.952 648 HG2 GLN 101 1HG GLN 101 8.112 1.632 7.343 649 HG3 GLN 101 2HG GLN 101 8.856 1.941 5.781 650 HE21 GLN 101 2HE2 GLN 101 9.306 4.763 6.491 651 HE22 GLN 101 1HE2 GLN 101 10.684 4.756 7.514 652 H HIS 102 H HIS 102 4.354 4.534 8.481 653 HA HIS 102 HA HIS 102 2.996 6.332 8.398 654 HB2 HIS 102 1HB HIS 102 5.600 7.702 7.796 655 HB3 HIS 102 2HB HIS 102 4.081 8.593 7.822 656 HD1 HIS 102 HD1 HIS 102 3.130 9.208 10.077 657 HD2 HIS 102 HD2 HIS 102 6.355 6.597 10.338 658 HE1 HIS 102 HE1 HIS 102 3.724 9.109 12.519 659 HE2 HIS 102 HE2 HIS 102 5.723 7.580 12.645 660 H GLY 103 H GLY 103 4.282 4.986 5.698 661 HA2 GLY 103 1HA GLY 103 2.251 5.240 4.037 662 HA3 GLY 103 2HA GLY 103 2.973 6.827 3.855 663 H LEU 104 H LEU 104 5.716 5.458 4.267 664 HA LEU 104 HA LEU 104 6.505 5.445 1.626 665 HB2 LEU 104 1HB LEU 104 7.767 3.713 3.740 666 HB3 LEU 104 2HB LEU 104 8.525 4.322 2.287 667 HG LEU 104 HG LEU 104 7.794 5.845 4.769 668 HD11 LEU 104 1HD1 LEU 104 9.936 4.600 4.638 669 HD12 LEU 104 2HD1 LEU 104 10.124 6.341 4.845 670 HD13 LEU 104 3HD1 LEU 104 10.382 5.610 3.263 671 HD21 LEU 104 3HD2 LEU 104 8.521 7.869 3.657 672 HD22 LEU 104 1HD2 LEU 104 7.089 7.194 2.879 673 HD23 LEU 104 2HD2 LEU 104 8.677 6.990 2.136 674 H VAL 105 H VAL 105 5.348 2.752 3.556 675 HA VAL 105 HA VAL 105 4.867 1.256 1.057 676 HB VAL 105 HB VAL 105 5.190 -0.845 2.453 677 HG11 VAL 105 1HG1 VAL 105 7.593 0.899 1.898 678 HG12 VAL 105 2HG1 VAL 105 6.786 -0.162 0.742 679 HG13 VAL 105 3HG1 VAL 105 7.630 -0.849 2.130 680 HG21 VAL 105 3HG2 VAL 105 6.555 -0.721 4.416 681 HG22 VAL 105 1HG2 VAL 105 5.162 0.339 4.627 682 HG23 VAL 105 2HG2 VAL 105 6.738 1.024 4.233 683 H ASN 106 H ASN 106 2.982 0.118 1.010 684 HA ASN 106 HA ASN 106 1.112 0.368 3.248 685 HB2 ASN 106 1HB ASN 106 1.136 2.277 1.351 686 HB3 ASN 106 2HB ASN 106 0.133 1.090 0.526 687 HD21 ASN 106 2HD2 ASN 106 -1.467 2.757 0.648 688 HD22 ASN 106 1HD2 ASN 106 -2.417 2.915 2.083 689 H VAL 107 H VAL 107 -0.467 -1.355 3.195 690 HA VAL 107 HA VAL 107 0.096 -3.320 1.061 691 HB VAL 107 HB VAL 107 -0.246 -5.128 2.765 692 HG11 VAL 107 1HG1 VAL 107 2.134 -3.307 3.118 693 HG12 VAL 107 2HG1 VAL 107 1.967 -4.584 1.913 694 HG13 VAL 107 3HG1 VAL 107 2.054 -4.993 3.626 695 HG21 VAL 107 3HG2 VAL 107 0.188 -2.870 4.709 696 HG22 VAL 107 1HG2 VAL 107 0.149 -4.588 5.107 697 HG23 VAL 107 2HG2 VAL 107 -1.302 -3.791 4.500 698 H GLY 108 H GLY 108 -1.469 -4.779 0.499 699 HA2 GLY 108 1HA GLY 108 -3.576 -5.595 0.140 700 HA3 GLY 108 2HA GLY 108 -3.990 -5.024 1.751 701 H CYS 109 H CYS 109 -3.059 -3.441 -1.291 702 HA CYS 109 HA CYS 109 -5.118 -1.446 -0.734 703 HB2 CYS 109 2HB CYS 109 -2.809 -1.400 -2.682 704 HB3 CYS 109 1HB CYS 109 -3.949 -0.088 -2.449 705 H THR 110 H THR 110 -6.939 -1.365 -1.826 706 HA THR 110 HA THR 110 -7.030 -2.512 -4.538 707 HB THR 110 HB THR 110 -9.497 -2.888 -4.102 708 HG1 THR 110 1HG THR 110 -8.750 -2.691 -1.357 709 HG21 THR 110 3HG2 THR 110 -9.162 -4.985 -2.871 710 HG22 THR 110 1HG2 THR 110 -7.553 -4.447 -2.395 711 HG23 THR 110 2HG2 THR 110 -7.915 -4.747 -4.093 712 HA PRO 111 HA PRO 111 -7.862 1.724 -5.788 713 HB2 PRO 111 2HB PRO 111 -9.231 0.217 -7.977 714 HB3 PRO 111 1HB PRO 111 -8.099 1.572 -8.083 715 HG2 PRO 111 2HG PRO 111 -7.258 -0.885 -8.609 716 HG3 PRO 111 1HG PRO 111 -6.243 0.224 -7.669 717 HD2 PRO 111 2HD PRO 111 -7.889 -2.087 -6.740 718 HD3 PRO 111 1HD PRO 111 -6.310 -1.522 -6.165 719 H ILE 112 H ILE 112 -9.352 2.677 -4.565 720 HA ILE 112 HA ILE 112 -12.015 1.558 -4.331 721 HB ILE 112 HB ILE 112 -11.093 2.296 -2.257 722 HG12 ILE 112 1HG1 ILE 112 -13.140 4.281 -3.268 723 HG13 ILE 112 2HG1 ILE 112 -13.469 2.731 -2.513 724 HG21 ILE 112 1HG2 ILE 112 -9.398 3.817 -3.070 725 HG22 ILE 112 2HG2 ILE 112 -10.397 4.618 -1.856 726 HG23 ILE 112 3HG2 ILE 112 -10.638 4.970 -3.568 727 HD11 ILE 112 3HD1 ILE 112 -13.870 4.568 -0.987 728 HD12 ILE 112 1HD1 ILE 112 -12.198 5.105 -1.177 729 HD13 ILE 112 2HD1 ILE 112 -12.542 3.552 -0.414 730 H ASN 113 H ASN 113 -13.768 2.293 -5.315 731 HA ASN 113 HA ASN 113 -13.607 4.713 -6.931 732 HB2 ASN 113 1HB ASN 113 -15.902 2.760 -6.588 733 HB3 ASN 113 2HB ASN 113 -15.802 4.042 -7.788 734 HD21 ASN 113 2HD2 ASN 113 -14.749 0.871 -6.884 735 HD22 ASN 113 1HD2 ASN 113 -13.985 0.477 -8.382 736 H ILE 114 H ILE 114 -13.750 6.483 -5.618 737 HA ILE 114 HA ILE 114 -15.070 6.331 -3.112 738 HB ILE 114 HB ILE 114 -14.699 8.940 -3.199 739 HG12 ILE 114 1HG1 ILE 114 -12.629 9.459 -4.480 740 HG13 ILE 114 2HG1 ILE 114 -12.760 7.895 -5.273 741 HG21 ILE 114 1HG2 ILE 114 -12.450 8.553 -2.282 742 HG22 ILE 114 2HG2 ILE 114 -12.518 6.893 -2.872 743 HG23 ILE 114 3HG2 ILE 114 -13.653 7.437 -1.637 744 HD11 ILE 114 3HD1 ILE 114 -13.597 9.560 -6.742 745 HD12 ILE 114 1HD1 ILE 114 -14.646 10.218 -5.486 746 HD13 ILE 114 2HD1 ILE 114 -14.966 8.620 -6.152 747 H GLY 115 H GLY 115 -16.151 7.387 -6.239 748 HA2 GLY 115 1HA GLY 115 -18.448 7.400 -6.772 749 HA3 GLY 115 2HA GLY 115 -18.818 7.596 -5.069 750 H LEU 116 H LEU 116 -16.587 9.848 -5.336 751 HA LEU 116 HA LEU 116 -18.471 11.845 -6.368 752 HB2 LEU 116 1HB LEU 116 -17.446 13.492 -4.876 753 HB3 LEU 116 2HB LEU 116 -18.199 12.170 -4.012 754 HG LEU 116 HG LEU 116 -15.245 12.122 -4.510 755 HD11 LEU 116 1HD1 LEU 116 -14.916 13.308 -2.402 756 HD12 LEU 116 2HD1 LEU 116 -16.655 13.579 -2.282 757 HD13 LEU 116 3HD1 LEU 116 -15.735 14.326 -3.588 758 HD21 LEU 116 3HD2 LEU 116 -16.982 11.100 -2.260 759 HD22 LEU 116 1HD2 LEU 116 -15.244 10.851 -2.435 760 HD23 LEU 116 2HD2 LEU 116 -16.361 10.129 -3.593 Start of MODEL 9 1 H1 LYS 10 1H LYS 10 -45.586 4.371 2.627 2 H2 LYS 10 2H LYS 10 -45.467 3.770 4.201 3 H3 LYS 10 3H LYS 10 -46.895 3.558 3.318 4 HA LYS 10 HA LYS 10 -45.818 2.119 1.771 5 HB2 LYS 10 1HB LYS 10 -43.473 1.445 2.118 6 HB3 LYS 10 2HB LYS 10 -43.622 3.162 1.775 7 HG2 LYS 10 1HG LYS 10 -43.310 3.698 4.108 8 HG3 LYS 10 2HG LYS 10 -43.289 1.985 4.529 9 HD2 LYS 10 1HD LYS 10 -41.027 2.894 4.458 10 HD3 LYS 10 2HD LYS 10 -41.257 1.684 3.195 11 HE2 LYS 10 1HE LYS 10 -41.564 3.434 1.541 12 HE3 LYS 10 2HE LYS 10 -41.430 4.668 2.792 13 HZ1 LYS 10 3HZ LYS 10 -39.373 4.305 1.491 14 HZ2 LYS 10 1HZ LYS 10 -39.272 2.738 2.127 15 HZ3 LYS 10 2HZ LYS 10 -39.163 4.082 3.152 16 H ALA 11 H ALA 11 -46.707 2.339 4.878 17 HA ALA 11 HA ALA 11 -45.853 -0.320 5.714 18 HB1 ALA 11 3HB ALA 11 -46.723 0.290 7.907 19 HB2 ALA 11 1HB ALA 11 -47.340 1.807 7.249 20 HB3 ALA 11 2HB ALA 11 -45.602 1.511 7.305 21 H MET 12 H MET 12 -47.169 -1.550 4.280 22 HA MET 12 HA MET 12 -50.032 -1.563 4.822 23 HB2 MET 12 1HB MET 12 -48.328 -3.414 3.137 24 HB3 MET 12 2HB MET 12 -50.077 -3.503 3.273 25 HG2 MET 12 1HG MET 12 -50.289 -1.301 2.282 26 HG3 MET 12 2HG MET 12 -48.536 -1.157 2.188 27 HE1 MET 12 3HE MET 12 -50.673 -4.414 1.468 28 HE2 MET 12 1HE MET 12 -51.007 -4.203 -0.249 29 HE3 MET 12 2HE MET 12 -51.695 -3.083 0.927 30 H ALA 13 H ALA 13 -47.121 -3.294 5.582 31 HA ALA 13 HA ALA 13 -48.528 -4.572 7.825 32 HB1 ALA 13 3HB ALA 13 -46.314 -5.811 6.181 33 HB2 ALA 13 1HB ALA 13 -48.010 -6.294 6.151 34 HB3 ALA 13 2HB ALA 13 -47.054 -6.519 7.616 35 H ASP 14 H ASP 14 -47.067 -4.927 9.700 36 HA ASP 14 HA ASP 14 -45.355 -2.614 9.967 37 HB2 ASP 14 1HB ASP 14 -46.901 -3.252 11.794 38 HB3 ASP 14 2HB ASP 14 -45.991 -4.742 12.020 39 H ILE 15 H ILE 15 -43.946 -3.543 8.275 40 HA ILE 15 HA ILE 15 -41.687 -4.847 9.587 41 HB ILE 15 HB ILE 15 -41.257 -6.034 7.327 42 HG12 ILE 15 1HG1 ILE 15 -43.499 -6.799 6.310 43 HG13 ILE 15 2HG1 ILE 15 -44.197 -5.397 7.110 44 HG21 ILE 15 1HG2 ILE 15 -43.417 -6.991 9.196 45 HG22 ILE 15 2HG2 ILE 15 -41.678 -7.223 9.383 46 HG23 ILE 15 3HG2 ILE 15 -42.534 -8.005 8.053 47 HD11 ILE 15 3HD1 ILE 15 -42.009 -5.343 5.043 48 HD12 ILE 15 1HD1 ILE 15 -42.710 -3.936 5.843 49 HD13 ILE 15 2HD1 ILE 15 -43.705 -4.934 4.783 50 H GLY 16 H GLY 16 -39.663 -4.560 8.245 51 HA2 GLY 16 1HA GLY 16 -39.124 -3.063 6.135 52 HA3 GLY 16 2HA GLY 16 -39.640 -1.815 7.260 53 H SER 17 H SER 17 -37.015 -2.514 5.965 54 HA SER 17 HA SER 17 -35.332 -3.277 8.170 55 HB2 SER 17 1HB SER 17 -34.620 -2.267 5.407 56 HB3 SER 17 2HB SER 17 -33.501 -3.002 6.558 57 HG SER 17 HG SER 17 -35.606 -4.618 6.273 58 H THR 18 H THR 18 -34.944 -1.874 9.750 59 HA THR 18 HA THR 18 -34.920 0.980 9.216 60 HB THR 18 HB THR 18 -36.011 0.147 11.267 61 HG1 THR 18 1HG THR 18 -33.931 1.993 11.259 62 HG21 THR 18 3HG2 THR 18 -34.636 -0.669 13.137 63 HG22 THR 18 1HG2 THR 18 -33.219 -0.665 12.089 64 HG23 THR 18 2HG2 THR 18 -34.563 -1.754 11.751 65 H ALA 19 H ALA 19 -32.789 -1.326 8.670 66 HA ALA 19 HA ALA 19 -30.375 -0.270 9.767 67 HB1 ALA 19 3HB ALA 19 -29.273 -1.845 8.241 68 HB2 ALA 19 1HB ALA 19 -30.817 -2.158 7.454 69 HB3 ALA 19 2HB ALA 19 -30.576 -2.621 9.137 70 H VAL 20 H VAL 20 -28.605 -0.083 7.688 71 HA VAL 20 HA VAL 20 -29.096 2.487 6.649 72 HB VAL 20 HB VAL 20 -27.082 0.504 5.587 73 HG11 VAL 20 1HG1 VAL 20 -27.181 3.516 5.484 74 HG12 VAL 20 2HG1 VAL 20 -27.422 2.416 4.126 75 HG13 VAL 20 3HG1 VAL 20 -25.846 2.517 4.913 76 HG21 VAL 20 3HG2 VAL 20 -25.495 1.569 7.132 77 HG22 VAL 20 1HG2 VAL 20 -26.805 0.753 7.985 78 HG23 VAL 20 2HG2 VAL 20 -26.817 2.508 7.823 79 HA PRO 21 HA PRO 21 -30.198 0.361 2.445 80 HB2 PRO 21 2HB PRO 21 -30.778 -2.281 2.469 81 HB3 PRO 21 1HB PRO 21 -29.149 -1.664 2.171 82 HG2 PRO 21 2HG PRO 21 -30.338 -2.734 4.705 83 HG3 PRO 21 1HG PRO 21 -28.750 -3.067 3.987 84 HD2 PRO 21 2HD PRO 21 -29.068 -1.313 6.010 85 HD3 PRO 21 1HD PRO 21 -27.852 -1.082 4.739 86 H ARG 22 H ARG 22 -32.005 1.670 3.227 87 HA ARG 22 HA ARG 22 -34.319 0.153 4.175 88 HB2 ARG 22 1HB ARG 22 -34.055 3.137 3.745 89 HB3 ARG 22 2HB ARG 22 -35.380 2.311 4.552 90 HG2 ARG 22 1HG ARG 22 -33.734 1.511 6.253 91 HG3 ARG 22 2HG ARG 22 -32.538 2.561 5.496 92 HD2 ARG 22 1HD ARG 22 -33.443 3.751 7.339 93 HD3 ARG 22 2HD ARG 22 -34.117 4.472 5.880 94 HE ARG 22 HE ARG 22 -35.947 2.584 6.642 95 HH11 ARG 22 1HH1 ARG 22 -34.489 5.373 8.165 96 HH12 ARG 22 2HH1 ARG 22 -35.869 5.712 9.157 97 HH21 ARG 22 1HH2 ARG 22 -37.749 2.997 7.973 98 HH22 ARG 22 2HH2 ARG 22 -37.723 4.351 9.057 99 H ASP 23 H ASP 23 -35.483 -0.784 2.677 100 HA ASP 23 HA ASP 23 -36.704 -1.197 0.834 101 HB2 ASP 23 1HB ASP 23 -36.637 1.780 0.741 102 HB3 ASP 23 2HB ASP 23 -37.191 0.915 -0.688 103 H VAL 24 H VAL 24 -35.047 -2.446 0.105 104 HA VAL 24 HA VAL 24 -33.885 -3.410 -1.520 105 HB VAL 24 HB VAL 24 -34.158 -2.892 -3.780 106 HG11 VAL 24 1HG1 VAL 24 -36.573 -2.582 -3.997 107 HG12 VAL 24 2HG1 VAL 24 -36.646 -2.051 -2.317 108 HG13 VAL 24 3HG1 VAL 24 -36.153 -3.702 -2.701 109 HG21 VAL 24 3HG2 VAL 24 -35.044 -0.113 -3.021 110 HG22 VAL 24 1HG2 VAL 24 -35.058 -0.789 -4.649 111 HG23 VAL 24 2HG2 VAL 24 -33.525 -0.547 -3.807 112 H ASN 25 H ASN 25 -33.010 -0.072 -0.933 113 HA ASN 25 HA ASN 25 -30.239 -0.870 -1.255 114 HB2 ASN 25 1HB ASN 25 -29.611 0.792 -2.832 115 HB3 ASN 25 2HB ASN 25 -31.017 -0.017 -3.511 116 HD21 ASN 25 2HD2 ASN 25 -29.728 2.921 -2.260 117 HD22 ASN 25 1HD2 ASN 25 -31.088 3.926 -2.632 118 H GLY 26 H GLY 26 -28.745 0.927 -0.603 119 HA2 GLY 26 1HA GLY 26 -29.130 3.249 0.598 120 HA3 GLY 26 2HA GLY 26 -29.798 2.171 1.817 121 H GLY 27 H GLY 27 -27.069 3.761 0.873 122 HA2 GLY 27 1HA GLY 27 -25.452 2.310 2.766 123 HA3 GLY 27 2HA GLY 27 -24.910 2.148 1.102 124 H THR 28 H THR 28 -22.955 3.192 1.921 125 HA THR 28 HA THR 28 -23.267 6.117 1.926 126 HB THR 28 HB THR 28 -20.990 4.766 3.345 127 HG1 THR 28 1HG THR 28 -23.630 5.247 4.318 128 HG21 THR 28 3HG2 THR 28 -20.860 6.816 4.568 129 HG22 THR 28 1HG2 THR 28 -22.417 7.357 3.937 130 HG23 THR 28 2HG2 THR 28 -21.024 7.247 2.865 131 HA PRO 29 HA PRO 29 -21.229 5.888 -1.970 132 HB2 PRO 29 2HB PRO 29 -20.303 8.585 -1.093 133 HB3 PRO 29 1HB PRO 29 -21.023 8.082 -2.626 134 HG2 PRO 29 2HG PRO 29 -22.474 9.351 -0.793 135 HG3 PRO 29 1HG PRO 29 -23.167 8.036 -1.758 136 HD2 PRO 29 2HD PRO 29 -22.332 8.052 1.096 137 HD3 PRO 29 1HD PRO 29 -23.613 7.125 0.295 138 HA PRO 30 HA PRO 30 -16.682 6.696 -0.677 139 HB2 PRO 30 2HB PRO 30 -16.506 6.894 2.209 140 HB3 PRO 30 1HB PRO 30 -15.996 8.062 0.990 141 HG2 PRO 30 2HG PRO 30 -18.090 8.472 2.688 142 HG3 PRO 30 1HG PRO 30 -17.969 9.208 1.083 143 HD2 PRO 30 2HD PRO 30 -19.535 6.824 1.958 144 HD3 PRO 30 1HD PRO 30 -19.999 8.127 0.845 145 H LYS 31 H LYS 31 -16.175 4.643 -1.154 146 HA LYS 31 HA LYS 31 -16.787 2.455 0.620 147 HB2 LYS 31 1HB LYS 31 -15.143 2.491 -1.905 148 HB3 LYS 31 2HB LYS 31 -15.726 1.059 -1.078 149 HG2 LYS 31 1HG LYS 31 -18.017 1.679 -1.561 150 HG3 LYS 31 2HG LYS 31 -17.471 3.171 -2.327 151 HD2 LYS 31 1HD LYS 31 -17.976 1.519 -4.023 152 HD3 LYS 31 2HD LYS 31 -16.241 1.831 -3.994 153 HE2 LYS 31 1HE LYS 31 -16.641 -0.541 -4.208 154 HE3 LYS 31 2HE LYS 31 -15.925 -0.199 -2.635 155 HZ1 LYS 31 3HZ LYS 31 -18.133 -0.334 -1.649 156 HZ2 LYS 31 1HZ LYS 31 -17.734 -1.771 -2.448 157 HZ3 LYS 31 2HZ LYS 31 -18.807 -0.676 -3.162 158 H SER 32 H SER 32 -15.433 3.876 2.241 159 HA SER 32 HA SER 32 -12.592 3.687 1.989 160 HB2 SER 32 1HB SER 32 -12.707 4.522 4.418 161 HB3 SER 32 2HB SER 32 -13.354 5.575 3.159 162 HG SER 32 HG SER 32 -14.849 3.840 4.848 163 H CYS 33 H CYS 33 -11.367 2.830 3.994 164 HA CYS 33 HA CYS 33 -11.788 0.002 3.926 165 HB2 CYS 33 2HB CYS 33 -9.742 1.628 5.454 166 HB3 CYS 33 1HB CYS 33 -9.664 -0.099 5.125 167 H SER 34 H SER 34 -12.053 -1.375 5.720 168 HA SER 34 HA SER 34 -13.659 -0.218 7.850 169 HB2 SER 34 1HB SER 34 -13.010 -3.127 7.304 170 HB3 SER 34 2HB SER 34 -14.272 -2.508 8.373 171 HG SER 34 HG SER 34 -14.907 -1.370 6.229 172 H SER 35 H SER 35 -10.476 -0.654 7.347 173 HA SER 35 HA SER 35 -9.922 -1.109 10.200 174 HB2 SER 35 1HB SER 35 -7.641 -1.879 9.376 175 HB3 SER 35 2HB SER 35 -8.993 -2.944 8.992 176 HG SER 35 HG SER 35 -7.345 -1.512 7.322 177 H GLY 36 H GLY 36 -10.452 1.376 8.522 178 HA2 GLY 36 1HA GLY 36 -9.174 3.343 9.726 179 HA3 GLY 36 2HA GLY 36 -7.885 2.759 8.681 180 HA PRO 37 HA PRO 37 -10.562 5.769 6.299 181 HB2 PRO 37 2HB PRO 37 -8.717 7.660 5.814 182 HB3 PRO 37 1HB PRO 37 -9.654 7.628 7.310 183 HG2 PRO 37 2HG PRO 37 -6.864 6.657 6.807 184 HG3 PRO 37 1HG PRO 37 -7.484 7.620 8.165 185 HD2 PRO 37 2HD PRO 37 -7.095 4.937 8.321 186 HD3 PRO 37 1HD PRO 37 -8.360 5.791 9.227 187 H VAL 38 H VAL 38 -9.271 7.096 4.201 188 HA VAL 38 HA VAL 38 -8.599 4.804 2.511 189 HB VAL 38 HB VAL 38 -9.281 7.664 1.785 190 HG11 VAL 38 1HG1 VAL 38 -7.830 6.657 0.097 191 HG12 VAL 38 2HG1 VAL 38 -9.468 6.882 -0.517 192 HG13 VAL 38 3HG1 VAL 38 -8.926 5.279 -0.024 193 HG21 VAL 38 3HG2 VAL 38 -11.156 6.433 2.722 194 HG22 VAL 38 1HG2 VAL 38 -10.884 5.129 1.567 195 HG23 VAL 38 2HG2 VAL 38 -11.392 6.719 0.996 196 H TYR 39 H TYR 39 -6.792 5.073 0.935 197 HA TYR 39 HA TYR 39 -4.702 6.865 1.963 198 HB2 TYR 39 2HB TYR 39 -4.227 4.040 1.008 199 HB3 TYR 39 1HB TYR 39 -3.029 5.143 1.662 200 HD1 TYR 39 1HD TYR 39 -2.949 5.612 4.072 201 HD2 TYR 39 2HD TYR 39 -5.742 2.838 2.456 202 HE1 TYR 39 1HE TYR 39 -3.365 4.722 6.326 203 HE2 TYR 39 2HE TYR 39 -6.163 1.941 4.706 204 HH TYR 39 HH TYR 39 -5.104 1.811 6.869 205 H CYS 40 H CYS 40 -3.607 7.967 0.452 206 HA CYS 40 HA CYS 40 -4.230 7.348 -2.353 207 HB2 CYS 40 2HB CYS 40 -4.914 9.597 -1.511 208 HB3 CYS 40 1HB CYS 40 -3.221 9.959 -1.208 209 H CYS 41 H CYS 41 -2.658 6.261 -3.331 210 HA CYS 41 HA CYS 41 0.119 6.703 -2.460 211 HB2 CYS 41 2HB CYS 41 -1.126 4.419 -4.011 212 HB3 CYS 41 1HB CYS 41 0.582 4.541 -3.587 213 H ASN 42 H ASN 42 1.570 7.530 -3.758 214 HA ASN 42 HA ASN 42 0.930 8.908 -6.105 215 HB2 ASN 42 1HB ASN 42 3.587 7.917 -5.075 216 HB3 ASN 42 2HB ASN 42 3.410 9.061 -6.404 217 HD21 ASN 42 2HD2 ASN 42 4.764 9.398 -3.881 218 HD22 ASN 42 1HD2 ASN 42 4.008 10.734 -3.088 219 H LYS 43 H LYS 43 1.658 5.651 -5.529 220 HA LYS 43 HA LYS 43 0.917 4.793 -8.103 221 HB2 LYS 43 1HB LYS 43 3.571 5.545 -7.925 222 HB3 LYS 43 2HB LYS 43 3.642 3.820 -7.647 223 HG2 LYS 43 1HG LYS 43 2.461 5.185 -10.058 224 HG3 LYS 43 2HG LYS 43 4.018 4.366 -9.981 225 HD2 LYS 43 1HD LYS 43 2.859 2.613 -10.784 226 HD3 LYS 43 2HD LYS 43 2.364 2.407 -9.103 227 HE2 LYS 43 1HE LYS 43 0.402 2.323 -10.468 228 HE3 LYS 43 2HE LYS 43 0.399 3.843 -9.575 229 HZ1 LYS 43 3HZ LYS 43 1.262 3.532 -12.399 230 HZ2 LYS 43 1HZ LYS 43 1.183 4.985 -11.535 231 HZ3 LYS 43 2HZ LYS 43 -0.235 4.142 -11.901 232 H THR 44 H THR 44 -0.169 2.906 -7.533 233 HA THR 44 HA THR 44 0.683 1.460 -5.209 234 HB THR 44 HB THR 44 -0.935 -0.307 -6.120 235 HG1 THR 44 1HG THR 44 -2.413 1.371 -7.547 236 HG21 THR 44 3HG2 THR 44 -1.991 2.451 -5.480 237 HG22 THR 44 1HG2 THR 44 -1.386 1.292 -4.294 238 HG23 THR 44 2HG2 THR 44 -2.820 0.912 -5.243 239 H GLU 45 H GLU 45 1.525 -0.590 -5.131 240 HA GLU 45 HA GLU 45 3.277 -1.233 -7.401 241 HB2 GLU 45 1HB GLU 45 3.816 -0.714 -4.682 242 HB3 GLU 45 2HB GLU 45 4.089 -2.430 -4.907 243 HG2 GLU 45 1HG GLU 45 5.437 -0.120 -6.275 244 HG3 GLU 45 2HG GLU 45 6.152 -1.350 -5.241 245 H ASP 46 H ASP 46 3.368 -3.307 -8.086 246 HA ASP 46 HA ASP 46 0.982 -4.840 -7.663 247 HB2 ASP 46 1HB ASP 46 3.452 -5.424 -9.311 248 HB3 ASP 46 2HB ASP 46 2.010 -6.430 -9.300 249 H SER 47 H SER 47 0.794 -5.921 -5.792 250 HA SER 47 HA SER 47 2.906 -6.799 -4.185 251 HB2 SER 47 1HB SER 47 0.072 -7.861 -4.294 252 HB3 SER 47 2HB SER 47 1.210 -8.101 -2.970 253 HG SER 47 HG SER 47 1.075 -5.503 -3.539 254 H LYS 48 H LYS 48 1.661 -8.234 -7.037 255 HA LYS 48 HA LYS 48 2.587 -10.893 -6.360 256 HB2 LYS 48 1HB LYS 48 1.571 -9.827 -9.000 257 HB3 LYS 48 2HB LYS 48 1.830 -11.518 -8.597 258 HG2 LYS 48 1HG LYS 48 -0.122 -9.706 -7.201 259 HG3 LYS 48 2HG LYS 48 -0.535 -10.816 -8.506 260 HD2 LYS 48 1HD LYS 48 0.048 -12.709 -7.172 261 HD3 LYS 48 2HD LYS 48 0.758 -11.679 -5.928 262 HE2 LYS 48 1HE LYS 48 -1.450 -12.519 -5.268 263 HE3 LYS 48 2HE LYS 48 -1.425 -10.763 -5.398 264 HZ1 LYS 48 3HZ LYS 48 -2.485 -10.937 -7.556 265 HZ2 LYS 48 1HZ LYS 48 -3.420 -11.713 -6.383 266 HZ3 LYS 48 2HZ LYS 48 -2.485 -12.622 -7.458 267 H HIS 49 H HIS 49 3.855 -8.033 -7.754 268 HA HIS 49 HA HIS 49 6.353 -9.380 -8.370 269 HB2 HIS 49 1HB HIS 49 4.723 -7.844 -10.381 270 HB3 HIS 49 2HB HIS 49 6.446 -8.093 -10.555 271 HD1 HIS 49 HD1 HIS 49 7.170 -10.737 -10.633 272 HD2 HIS 49 HD2 HIS 49 3.202 -9.812 -11.452 273 HE1 HIS 49 HE1 HIS 49 6.239 -12.745 -11.826 274 HE2 HIS 49 HE2 HIS 49 3.866 -12.123 -12.401 275 H LEU 50 H LEU 50 6.189 -7.785 -6.226 276 HA LEU 50 HA LEU 50 6.570 -5.059 -6.575 277 HB2 LEU 50 1HB LEU 50 7.696 -6.949 -4.531 278 HB3 LEU 50 2HB LEU 50 7.909 -5.224 -4.457 279 HG LEU 50 HG LEU 50 6.157 -5.572 -3.018 280 HD11 LEU 50 1HD1 LEU 50 4.821 -5.055 -5.644 281 HD12 LEU 50 2HD1 LEU 50 5.603 -3.851 -4.620 282 HD13 LEU 50 3HD1 LEU 50 4.165 -4.692 -4.050 283 HD21 LEU 50 3HD2 LEU 50 4.800 -7.433 -4.905 284 HD22 LEU 50 1HD2 LEU 50 4.407 -7.100 -3.216 285 HD23 LEU 50 2HD2 LEU 50 5.895 -7.961 -3.625 286 H ASP 51 H ASP 51 8.297 -3.783 -6.900 287 HA ASP 51 HA ASP 51 10.608 -4.832 -8.209 288 HB2 ASP 51 1HB ASP 51 9.790 -2.118 -7.247 289 HB3 ASP 51 2HB ASP 51 11.472 -2.404 -7.669 290 H LYS 52 H LYS 52 12.834 -4.627 -7.408 291 HA LYS 52 HA LYS 52 13.117 -5.843 -4.901 292 HB2 LYS 52 1HB LYS 52 15.166 -4.366 -6.548 293 HB3 LYS 52 2HB LYS 52 15.537 -5.318 -5.116 294 HG2 LYS 52 1HG LYS 52 14.293 -6.368 -7.651 295 HG3 LYS 52 2HG LYS 52 15.979 -6.555 -7.173 296 HD2 LYS 52 1HD LYS 52 15.226 -7.770 -5.150 297 HD3 LYS 52 2HD LYS 52 13.567 -7.661 -5.740 298 HE2 LYS 52 1HE LYS 52 15.860 -9.033 -7.138 299 HE3 LYS 52 2HE LYS 52 14.558 -9.833 -6.260 300 HZ1 LYS 52 3HZ LYS 52 12.980 -8.948 -7.854 301 HZ2 LYS 52 1HZ LYS 52 14.176 -9.843 -8.648 302 HZ3 LYS 52 2HZ LYS 52 14.219 -8.155 -8.685 303 H GLY 53 H GLY 53 13.488 -2.470 -5.881 304 HA2 GLY 53 1HA GLY 53 14.471 -1.421 -3.495 305 HA3 GLY 53 2HA GLY 53 13.489 -0.535 -4.653 306 H THR 54 H THR 54 11.152 -2.143 -4.432 307 HA THR 54 HA THR 54 10.064 -0.992 -2.032 308 HB THR 54 HB THR 54 8.676 -2.813 -4.007 309 HG1 THR 54 1HG THR 54 8.071 -0.937 -5.079 310 HG21 THR 54 3HG2 THR 54 6.639 -1.674 -3.167 311 HG22 THR 54 1HG2 THR 54 7.633 -0.840 -1.969 312 HG23 THR 54 2HG2 THR 54 7.472 -2.598 -1.916 313 H THR 55 H THR 55 10.578 -4.240 -3.313 314 HA THR 55 HA THR 55 9.664 -5.766 -1.187 315 HB THR 55 HB THR 55 12.085 -6.253 -2.938 316 HG1 THR 55 1HG THR 55 10.252 -6.100 -4.204 317 HG21 THR 55 3HG2 THR 55 11.791 -8.617 -2.388 318 HG22 THR 55 1HG2 THR 55 10.471 -8.202 -1.292 319 HG23 THR 55 2HG2 THR 55 12.112 -7.661 -0.941 320 H ALA 56 H ALA 56 12.634 -3.996 -1.627 321 HA ALA 56 HA ALA 56 14.099 -4.874 0.564 322 HB1 ALA 56 3HB ALA 56 15.057 -3.485 -1.174 323 HB2 ALA 56 1HB ALA 56 15.277 -2.718 0.400 324 HB3 ALA 56 2HB ALA 56 14.022 -2.137 -0.699 325 H LEU 57 H LEU 57 11.864 -2.076 0.389 326 HA LEU 57 HA LEU 57 12.147 -1.286 3.075 327 HB2 LEU 57 1HB LEU 57 9.691 -1.014 1.349 328 HB3 LEU 57 2HB LEU 57 9.978 -0.166 2.849 329 HG LEU 57 HG LEU 57 10.750 1.511 1.635 330 HD11 LEU 57 1HD1 LEU 57 12.990 1.468 0.823 331 HD12 LEU 57 2HD1 LEU 57 12.953 -0.289 0.679 332 HD13 LEU 57 3HD1 LEU 57 12.921 0.464 2.275 333 HD21 LEU 57 3HD2 LEU 57 10.760 1.517 -0.702 334 HD22 LEU 57 1HD2 LEU 57 9.531 0.326 -0.261 335 HD23 LEU 57 2HD2 LEU 57 11.134 -0.204 -0.783 336 H LEU 58 H LEU 58 9.834 -3.386 1.483 337 HA LEU 58 HA LEU 58 8.251 -4.036 3.684 338 HB2 LEU 58 1HB LEU 58 8.979 -5.886 1.423 339 HB3 LEU 58 2HB LEU 58 7.532 -5.947 2.411 340 HG LEU 58 HG LEU 58 8.215 -3.741 0.453 341 HD11 LEU 58 1HD1 LEU 58 7.644 -5.853 -0.636 342 HD12 LEU 58 2HD1 LEU 58 6.375 -4.648 -0.863 343 HD13 LEU 58 3HD1 LEU 58 6.162 -5.947 0.316 344 HD21 LEU 58 3HD2 LEU 58 5.933 -2.966 0.877 345 HD22 LEU 58 1HD2 LEU 58 6.912 -2.918 2.343 346 HD23 LEU 58 2HD2 LEU 58 5.735 -4.210 2.110 347 H GLY 59 H GLY 59 11.130 -5.634 2.380 348 HA2 GLY 59 1HA GLY 59 11.377 -7.635 4.304 349 HA3 GLY 59 2HA GLY 59 12.707 -6.948 3.387 350 H LEU 60 H LEU 60 12.459 -4.264 4.385 351 HA LEU 60 HA LEU 60 14.068 -4.377 6.682 352 HB2 LEU 60 1HB LEU 60 12.287 -2.076 5.862 353 HB3 LEU 60 2HB LEU 60 13.687 -1.985 6.909 354 HG LEU 60 HG LEU 60 13.627 -2.433 3.934 355 HD11 LEU 60 1HD1 LEU 60 13.510 -0.122 4.717 356 HD12 LEU 60 2HD1 LEU 60 15.031 -0.457 3.894 357 HD13 LEU 60 3HD1 LEU 60 14.984 -0.365 5.653 358 HD21 LEU 60 3HD2 LEU 60 15.195 -4.010 4.946 359 HD22 LEU 60 1HD2 LEU 60 15.991 -2.679 5.783 360 HD23 LEU 60 2HD2 LEU 60 16.027 -2.759 4.021 361 H LEU 61 H LEU 61 10.654 -3.736 6.283 362 HA LEU 61 HA LEU 61 10.196 -3.452 9.127 363 HB2 LEU 61 1HB LEU 61 8.266 -3.493 6.810 364 HB3 LEU 61 2HB LEU 61 7.878 -3.029 8.457 365 HG LEU 61 HG LEU 61 10.080 -1.540 7.145 366 HD11 LEU 61 1HD1 LEU 61 8.496 -0.061 6.010 367 HD12 LEU 61 2HD1 LEU 61 7.182 -1.162 6.425 368 HD13 LEU 61 3HD1 LEU 61 8.469 -1.693 5.340 369 HD21 LEU 61 3HD2 LEU 61 9.382 -1.038 9.425 370 HD22 LEU 61 1HD2 LEU 61 7.736 -0.745 8.863 371 HD23 LEU 61 2HD2 LEU 61 9.046 0.318 8.347 372 H ASN 62 H ASN 62 10.479 -6.019 7.071 373 HA ASN 62 HA ASN 62 10.215 -8.252 7.356 374 HB2 ASN 62 1HB ASN 62 10.704 -7.785 9.767 375 HB3 ASN 62 2HB ASN 62 8.975 -7.653 10.026 376 HD21 ASN 62 2HD2 ASN 62 10.544 -9.968 7.894 377 HD22 ASN 62 1HD2 ASN 62 10.112 -11.370 8.807 378 H ILE 63 H ILE 63 8.277 -6.593 6.078 379 HA ILE 63 HA ILE 63 5.691 -7.753 6.609 380 HB ILE 63 HB ILE 63 6.696 -6.125 4.257 381 HG12 ILE 63 1HG1 ILE 63 4.879 -5.216 6.480 382 HG13 ILE 63 2HG1 ILE 63 6.630 -5.118 6.626 383 HG21 ILE 63 1HG2 ILE 63 4.350 -5.775 3.702 384 HG22 ILE 63 2HG2 ILE 63 3.865 -6.821 5.035 385 HG23 ILE 63 3HG2 ILE 63 4.748 -7.493 3.663 386 HD11 ILE 63 3HD1 ILE 63 6.774 -3.640 4.793 387 HD12 ILE 63 1HD1 ILE 63 5.524 -3.030 5.875 388 HD13 ILE 63 2HD1 ILE 63 5.071 -3.875 4.389 389 H LYS 64 H LYS 64 4.646 -9.270 5.294 390 HA LYS 64 HA LYS 64 6.535 -11.031 3.931 391 HB2 LYS 64 1HB LYS 64 4.674 -12.733 4.120 392 HB3 LYS 64 2HB LYS 64 5.413 -12.231 5.627 393 HG2 LYS 64 1HG LYS 64 2.908 -10.913 4.674 394 HG3 LYS 64 2HG LYS 64 2.844 -12.488 5.463 395 HD2 LYS 64 1HD LYS 64 4.027 -11.539 7.399 396 HD3 LYS 64 2HD LYS 64 4.011 -9.959 6.620 397 HE2 LYS 64 1HE LYS 64 1.563 -10.000 6.604 398 HE3 LYS 64 2HE LYS 64 1.587 -11.573 7.395 399 HZ1 LYS 64 3HZ LYS 64 2.635 -9.036 8.529 400 HZ2 LYS 64 1HZ LYS 64 2.699 -10.547 9.289 401 HZ3 LYS 64 2HZ LYS 64 1.208 -9.816 8.988 402 H ILE 65 H ILE 65 6.618 -10.986 1.851 403 HA ILE 65 HA ILE 65 4.802 -9.470 0.286 404 HB ILE 65 HB ILE 65 7.175 -11.185 -0.423 405 HG12 ILE 65 1HG1 ILE 65 8.092 -9.005 -1.205 406 HG13 ILE 65 2HG1 ILE 65 6.628 -8.219 -0.639 407 HG21 ILE 65 1HG2 ILE 65 6.969 -10.518 -2.734 408 HG22 ILE 65 2HG2 ILE 65 5.506 -9.609 -2.364 409 HG23 ILE 65 3HG2 ILE 65 5.504 -11.367 -2.233 410 HD11 ILE 65 3HD1 ILE 65 7.179 -8.870 1.655 411 HD12 ILE 65 1HD1 ILE 65 8.463 -7.907 0.922 412 HD13 ILE 65 2HD1 ILE 65 8.647 -9.654 1.074 413 H GLY 66 H GLY 66 5.159 -12.849 1.028 414 HA2 GLY 66 1HA GLY 66 3.640 -13.838 -1.180 415 HA3 GLY 66 2HA GLY 66 4.103 -14.741 0.253 416 H ASP 67 H ASP 67 2.695 -12.344 1.736 417 HA ASP 67 HA ASP 67 0.076 -13.670 1.688 418 HB2 ASP 67 1HB ASP 67 1.279 -13.580 3.858 419 HB3 ASP 67 2HB ASP 67 1.235 -11.823 3.786 420 H LEU 68 H LEU 68 1.613 -10.896 0.625 421 HA LEU 68 HA LEU 68 -0.135 -8.821 1.107 422 HB2 LEU 68 1HB LEU 68 1.589 -9.366 -1.301 423 HB3 LEU 68 2HB LEU 68 0.732 -7.855 -1.047 424 HG LEU 68 HG LEU 68 2.842 -8.976 0.803 425 HD11 LEU 68 1HD1 LEU 68 4.258 -7.193 -0.040 426 HD12 LEU 68 2HD1 LEU 68 2.988 -6.690 -1.156 427 HD13 LEU 68 3HD1 LEU 68 3.762 -8.262 -1.352 428 HD21 LEU 68 3HD2 LEU 68 1.169 -7.617 1.953 429 HD22 LEU 68 1HD2 LEU 68 1.416 -6.319 0.785 430 HD23 LEU 68 2HD2 LEU 68 2.726 -6.780 1.878 431 H LYS 69 H LYS 69 -2.018 -8.190 0.412 432 HA LYS 69 HA LYS 69 -3.667 -10.263 -0.649 433 HB2 LYS 69 1HB LYS 69 -4.381 -7.479 0.245 434 HB3 LYS 69 2HB LYS 69 -5.526 -8.774 -0.074 435 HG2 LYS 69 1HG LYS 69 -4.575 -10.092 1.730 436 HG3 LYS 69 2HG LYS 69 -3.368 -8.845 2.027 437 HD2 LYS 69 1HD LYS 69 -5.175 -7.267 2.600 438 HD3 LYS 69 2HD LYS 69 -6.355 -8.558 2.354 439 HE2 LYS 69 1HE LYS 69 -5.254 -9.871 4.122 440 HE3 LYS 69 2HE LYS 69 -4.122 -8.550 4.386 441 HZ1 LYS 69 3HZ LYS 69 -7.064 -8.342 4.724 442 HZ2 LYS 69 1HZ LYS 69 -5.923 -7.147 5.097 443 HZ3 LYS 69 2HZ LYS 69 -5.968 -8.587 5.986 444 H ASP 70 H ASP 70 -3.102 -6.890 -1.735 445 HA ASP 70 HA ASP 70 -3.869 -7.771 -4.425 446 HB2 ASP 70 1HB ASP 70 -5.321 -5.862 -2.754 447 HB3 ASP 70 2HB ASP 70 -4.902 -5.218 -4.337 448 H LEU 71 H LEU 71 -3.378 -4.447 -3.373 449 HA LEU 71 HA LEU 71 -0.785 -4.452 -4.776 450 HB2 LEU 71 1HB LEU 71 -2.760 -2.218 -4.351 451 HB3 LEU 71 2HB LEU 71 -1.110 -1.947 -4.861 452 HG LEU 71 HG LEU 71 -2.153 -1.862 -6.859 453 HD11 LEU 71 1HD1 LEU 71 -1.735 -4.822 -6.574 454 HD12 LEU 71 2HD1 LEU 71 -0.516 -3.629 -7.030 455 HD13 LEU 71 3HD1 LEU 71 -1.890 -3.941 -8.094 456 HD21 LEU 71 3HD2 LEU 71 -4.172 -3.001 -7.482 457 HD22 LEU 71 1HD2 LEU 71 -4.384 -2.265 -5.891 458 HD23 LEU 71 2HD2 LEU 71 -4.096 -4.003 -6.033 459 H VAL 72 H VAL 72 0.760 -2.885 -3.980 460 HA VAL 72 HA VAL 72 0.420 -2.162 -1.145 461 HB VAL 72 HB VAL 72 2.371 -3.092 -0.561 462 HG11 VAL 72 1HG1 VAL 72 1.861 -4.872 -2.033 463 HG12 VAL 72 2HG1 VAL 72 3.598 -4.578 -2.143 464 HG13 VAL 72 3HG1 VAL 72 2.517 -4.004 -3.415 465 HG21 VAL 72 3HG2 VAL 72 4.553 -2.525 -1.672 466 HG22 VAL 72 1HG2 VAL 72 3.623 -1.134 -1.095 467 HG23 VAL 72 2HG2 VAL 72 3.637 -1.545 -2.816 468 H GLY 73 H GLY 73 1.954 -0.120 -0.757 469 HA2 GLY 73 1HA GLY 73 1.946 1.538 -3.168 470 HA3 GLY 73 2HA GLY 73 1.094 2.114 -1.741 471 H LEU 74 H LEU 74 3.436 3.207 -3.165 472 HA LEU 74 HA LEU 74 5.179 3.284 -0.816 473 HB2 LEU 74 1HB LEU 74 7.089 3.782 -2.157 474 HB3 LEU 74 2HB LEU 74 6.340 2.332 -2.767 475 HG LEU 74 HG LEU 74 7.113 3.506 -4.638 476 HD11 LEU 74 1HD1 LEU 74 4.185 4.133 -4.444 477 HD12 LEU 74 2HD1 LEU 74 4.898 2.608 -4.980 478 HD13 LEU 74 3HD1 LEU 74 5.144 4.080 -5.924 479 HD21 LEU 74 3HD2 LEU 74 7.538 5.658 -3.645 480 HD22 LEU 74 1HD2 LEU 74 5.808 5.995 -3.564 481 HD23 LEU 74 2HD2 LEU 74 6.606 5.847 -5.131 482 H ASN 75 H ASN 75 5.537 5.118 0.147 483 HA ASN 75 HA ASN 75 5.202 7.249 0.852 484 HB2 ASN 75 1HB ASN 75 5.508 7.912 -2.082 485 HB3 ASN 75 2HB ASN 75 5.719 9.017 -0.728 486 HD21 ASN 75 2HD2 ASN 75 7.113 7.148 0.953 487 HD22 ASN 75 1HD2 ASN 75 8.688 6.948 0.281 488 H CYS 76 H CYS 76 2.906 6.037 0.855 489 HA CYS 76 HA CYS 76 0.915 7.446 -0.699 490 HB2 CYS 76 2HB CYS 76 0.524 5.424 1.516 491 HB3 CYS 76 1HB CYS 76 -0.668 5.930 0.324 492 H SER 77 H SER 77 -0.740 8.681 0.203 493 HA SER 77 HA SER 77 -0.105 9.896 2.804 494 HB2 SER 77 1HB SER 77 -1.850 10.971 0.574 495 HB3 SER 77 2HB SER 77 -1.394 11.825 2.046 496 HG SER 77 HG SER 77 0.371 10.923 0.007 497 HA PRO 78 HA PRO 78 -3.787 7.664 4.188 498 HB2 PRO 78 2HB PRO 78 -3.186 9.034 6.726 499 HB3 PRO 78 1HB PRO 78 -3.318 7.304 6.393 500 HG2 PRO 78 2HG PRO 78 -0.950 8.469 6.892 501 HG3 PRO 78 1HG PRO 78 -1.109 7.124 5.748 502 HD2 PRO 78 2HD PRO 78 -0.850 10.059 5.201 503 HD3 PRO 78 1HD PRO 78 -0.103 8.683 4.361 504 H LEU 79 H LEU 79 -5.730 8.425 3.778 505 HA LEU 79 HA LEU 79 -6.255 11.297 4.093 506 HB2 LEU 79 1HB LEU 79 -7.936 9.231 2.688 507 HB3 LEU 79 2HB LEU 79 -8.021 10.969 2.512 508 HG LEU 79 HG LEU 79 -5.732 9.231 1.597 509 HD11 LEU 79 1HD1 LEU 79 -7.718 8.852 0.280 510 HD12 LEU 79 2HD1 LEU 79 -6.529 9.756 -0.651 511 HD13 LEU 79 3HD1 LEU 79 -7.920 10.588 0.040 512 HD21 LEU 79 3HD2 LEU 79 -6.239 12.185 1.293 513 HD22 LEU 79 1HD2 LEU 79 -5.005 11.285 0.413 514 HD23 LEU 79 2HD2 LEU 79 -4.919 11.408 2.171 515 H SER 80 H SER 80 -6.695 11.293 6.349 516 HA SER 80 HA SER 80 -8.486 9.415 7.528 517 HB2 SER 80 1HB SER 80 -7.632 12.105 8.623 518 HB3 SER 80 2HB SER 80 -8.255 10.728 9.536 519 HG SER 80 HG SER 80 -5.724 11.244 8.709 520 H VAL 81 H VAL 81 -8.831 12.561 6.058 521 HA VAL 81 HA VAL 81 -11.740 12.290 6.313 522 HB VAL 81 HB VAL 81 -11.855 14.838 6.426 523 HG11 VAL 81 1HG1 VAL 81 -10.739 13.325 8.783 524 HG12 VAL 81 2HG1 VAL 81 -12.434 13.411 8.307 525 HG13 VAL 81 3HG1 VAL 81 -11.601 14.861 8.864 526 HG21 VAL 81 3HG2 VAL 81 -9.934 15.973 7.435 527 HG22 VAL 81 1HG2 VAL 81 -9.527 15.305 5.855 528 HG23 VAL 81 2HG2 VAL 81 -8.994 14.484 7.322 529 H ILE 82 H ILE 82 -12.699 12.296 4.421 530 HA ILE 82 HA ILE 82 -11.311 13.500 2.126 531 HB ILE 82 HB ILE 82 -13.281 11.229 2.166 532 HG12 ILE 82 1HG1 ILE 82 -10.307 11.435 1.805 533 HG13 ILE 82 2HG1 ILE 82 -11.212 10.384 2.888 534 HG21 ILE 82 1HG2 ILE 82 -13.145 11.130 -0.188 535 HG22 ILE 82 2HG2 ILE 82 -11.791 12.255 -0.235 536 HG23 ILE 82 3HG2 ILE 82 -13.403 12.841 0.185 537 HD11 ILE 82 3HD1 ILE 82 -11.164 10.148 -0.099 538 HD12 ILE 82 1HD1 ILE 82 -11.954 9.051 1.030 539 HD13 ILE 82 2HD1 ILE 82 -10.195 9.186 1.013 540 H GLY 83 H GLY 83 -12.477 14.746 0.678 541 HA2 GLY 83 1HA GLY 83 -14.882 15.990 1.693 542 HA3 GLY 83 2HA GLY 83 -14.002 16.410 0.233 543 H VAL 84 H VAL 84 -15.531 13.407 1.334 544 HA VAL 84 HA VAL 84 -17.137 12.073 0.456 545 HB VAL 84 HB VAL 84 -17.847 14.444 -1.278 546 HG11 VAL 84 1HG1 VAL 84 -19.414 11.934 -0.686 547 HG12 VAL 84 2HG1 VAL 84 -18.660 12.343 -2.226 548 HG13 VAL 84 3HG1 VAL 84 -19.992 13.320 -1.610 549 HG21 VAL 84 3HG2 VAL 84 -19.624 14.836 0.342 550 HG22 VAL 84 1HG2 VAL 84 -18.047 14.886 1.126 551 HG23 VAL 84 2HG2 VAL 84 -19.072 13.464 1.301 552 H GLY 85 H GLY 85 -15.907 13.988 -2.310 553 HA2 GLY 85 1HA GLY 85 -15.860 11.700 -4.033 554 HA3 GLY 85 2HA GLY 85 -15.197 13.287 -4.389 555 H GLY 86 H GLY 86 -14.564 10.156 -2.994 556 HA2 GLY 86 1HA GLY 86 -11.855 10.753 -2.238 557 HA3 GLY 86 2HA GLY 86 -12.623 9.176 -2.214 558 H ASN 87 H ASN 87 -12.136 11.429 -4.898 559 HA ASN 87 HA ASN 87 -10.278 9.494 -6.111 560 HB2 ASN 87 1HB ASN 87 -12.499 9.434 -7.235 561 HB3 ASN 87 2HB ASN 87 -12.345 11.150 -7.586 562 HD21 ASN 87 2HD2 ASN 87 -11.087 11.806 -9.277 563 HD22 ASN 87 1HD2 ASN 87 -10.316 10.716 -10.374 564 H SER 88 H SER 88 -10.793 12.537 -4.916 565 HA SER 88 HA SER 88 -8.783 13.793 -6.641 566 HB2 SER 88 1HB SER 88 -10.605 15.123 -4.623 567 HB3 SER 88 2HB SER 88 -9.621 15.916 -5.854 568 HG SER 88 HG SER 88 -10.995 14.395 -7.298 569 H CYS 89 H CYS 89 -6.992 12.755 -5.666 570 HA CYS 89 HA CYS 89 -6.219 14.015 -3.137 571 HB2 CYS 89 2HB CYS 89 -5.294 11.935 -2.277 572 HB3 CYS 89 1HB CYS 89 -7.002 11.717 -2.629 573 H SER 90 H SER 90 -5.682 14.190 -6.102 574 HA SER 90 HA SER 90 -3.976 14.899 -7.403 575 HB2 SER 90 1HB SER 90 -2.210 14.516 -4.976 576 HB3 SER 90 2HB SER 90 -1.786 15.395 -6.444 577 HG SER 90 HG SER 90 -3.982 16.506 -5.746 578 H ALA 91 H ALA 91 -3.516 12.000 -5.514 579 HA ALA 91 HA ALA 91 -1.992 10.837 -7.760 580 HB1 ALA 91 3HB ALA 91 -1.761 10.204 -4.821 581 HB2 ALA 91 1HB ALA 91 -0.575 11.056 -5.809 582 HB3 ALA 91 2HB ALA 91 -0.916 9.354 -6.112 583 H GLN 92 H GLN 92 -2.115 8.169 -6.664 584 HA GLN 92 HA GLN 92 -4.772 7.528 -7.614 585 HB2 GLN 92 1HB GLN 92 -3.547 5.990 -8.680 586 HB3 GLN 92 2HB GLN 92 -2.152 6.303 -7.658 587 HG2 GLN 92 1HG GLN 92 -2.711 4.652 -6.165 588 HG3 GLN 92 2HG GLN 92 -4.392 4.603 -6.671 589 HE21 GLN 92 2HE2 GLN 92 -1.733 4.691 -8.921 590 HE22 GLN 92 1HE2 GLN 92 -1.953 3.082 -9.522 591 H THR 93 H THR 93 -6.401 6.980 -6.335 592 HA THR 93 HA THR 93 -5.880 6.806 -3.477 593 HB THR 93 HB THR 93 -8.683 6.829 -4.202 594 HG1 THR 93 1HG THR 93 -7.043 8.958 -5.187 595 HG21 THR 93 3HG2 THR 93 -7.743 7.470 -2.018 596 HG22 THR 93 1HG2 THR 93 -8.696 8.773 -2.731 597 HG23 THR 93 2HG2 THR 93 -6.932 8.843 -2.779 598 H VAL 94 H VAL 94 -5.955 4.961 -2.459 599 HA VAL 94 HA VAL 94 -7.608 2.772 -3.510 600 HB VAL 94 HB VAL 94 -5.778 1.183 -2.758 601 HG11 VAL 94 1HG1 VAL 94 -4.470 1.468 -4.838 602 HG12 VAL 94 2HG1 VAL 94 -5.289 3.005 -5.106 603 HG13 VAL 94 3HG1 VAL 94 -6.208 1.501 -5.092 604 HG21 VAL 94 3HG2 VAL 94 -4.484 2.782 -1.435 605 HG22 VAL 94 1HG2 VAL 94 -4.106 3.690 -2.899 606 HG23 VAL 94 2HG2 VAL 94 -3.499 2.045 -2.698 607 H CYS 95 H CYS 95 -7.896 1.025 -1.915 608 HA CYS 95 HA CYS 95 -7.994 2.061 0.840 609 HB2 CYS 95 2HB CYS 95 -10.217 1.557 -0.025 610 HB3 CYS 95 1HB CYS 95 -9.692 -0.046 -0.527 611 H CYS 96 H CYS 96 -6.662 1.068 2.265 612 HA CYS 96 HA CYS 96 -5.381 -1.427 1.370 613 HB2 CYS 96 2HB CYS 96 -3.998 0.834 2.808 614 HB3 CYS 96 1HB CYS 96 -3.253 -0.593 2.085 615 H THR 97 H THR 97 -4.572 -2.814 2.994 616 HA THR 97 HA THR 97 -6.574 -2.997 5.066 617 HB THR 97 HB THR 97 -5.892 -4.963 3.696 618 HG1 THR 97 1HG THR 97 -6.147 -4.862 6.396 619 HG21 THR 97 3HG2 THR 97 -3.802 -6.114 4.156 620 HG22 THR 97 1HG2 THR 97 -3.337 -4.856 5.302 621 HG23 THR 97 2HG2 THR 97 -3.475 -4.478 3.585 622 H ASN 98 H ASN 98 -3.233 -2.164 4.810 623 HA ASN 98 HA ASN 98 -3.125 -1.314 7.568 624 HB2 ASN 98 1HB ASN 98 -1.299 -3.516 6.564 625 HB3 ASN 98 2HB ASN 98 -0.961 -2.560 7.997 626 HD21 ASN 98 2HD2 ASN 98 -2.262 -2.843 9.838 627 HD22 ASN 98 1HD2 ASN 98 -3.226 -4.263 10.044 628 H THR 99 H THR 99 -1.106 -0.078 7.969 629 HA THR 99 HA THR 99 0.374 0.637 5.560 630 HB THR 99 HB THR 99 -1.451 2.274 5.677 631 HG1 THR 99 1HG THR 99 0.415 3.102 4.841 632 HG21 THR 99 3HG2 THR 99 -1.891 2.265 8.069 633 HG22 THR 99 1HG2 THR 99 -1.541 3.904 7.521 634 HG23 THR 99 2HG2 THR 99 -0.309 2.981 8.378 635 H TYR 100 H TYR 100 2.451 1.373 5.936 636 HA TYR 100 HA TYR 100 3.322 1.505 8.744 637 HB2 TYR 100 2HB TYR 100 4.817 0.010 6.576 638 HB3 TYR 100 1HB TYR 100 5.309 0.183 8.252 639 HD1 TYR 100 2HD TYR 100 4.119 -1.046 10.025 640 HD2 TYR 100 1HD TYR 100 3.189 -1.615 5.911 641 HE1 TYR 100 2HE TYR 100 2.952 -3.138 10.580 642 HE2 TYR 100 1HE TYR 100 2.023 -3.707 6.458 643 HH TYR 100 HH TYR 100 1.199 -4.575 9.626 644 H GLN 101 H GLN 101 5.385 2.619 9.007 645 HA GLN 101 HA GLN 101 6.873 4.289 8.624 646 HB2 GLN 101 1HB GLN 101 6.513 3.155 5.874 647 HB3 GLN 101 2HB GLN 101 7.527 4.566 6.127 648 HG2 GLN 101 1HG GLN 101 7.918 2.035 7.679 649 HG3 GLN 101 2HG GLN 101 8.668 2.314 6.106 650 HE21 GLN 101 2HE2 GLN 101 10.246 3.823 5.883 651 HE22 GLN 101 1HE2 GLN 101 11.029 4.578 7.221 652 H HIS 102 H HIS 102 3.929 4.754 8.512 653 HA HIS 102 HA HIS 102 2.493 6.475 8.308 654 HB2 HIS 102 1HB HIS 102 5.062 7.999 7.954 655 HB3 HIS 102 2HB HIS 102 3.492 8.793 7.951 656 HD1 HIS 102 HD1 HIS 102 2.366 9.172 10.190 657 HD2 HIS 102 HD2 HIS 102 5.804 6.853 10.459 658 HE1 HIS 102 HE1 HIS 102 2.844 8.957 12.647 659 HE2 HIS 102 HE2 HIS 102 5.037 7.724 12.770 660 H GLY 103 H GLY 103 3.749 5.057 5.793 661 HA2 GLY 103 1HA GLY 103 1.944 5.330 3.972 662 HA3 GLY 103 2HA GLY 103 2.624 6.944 3.841 663 H LEU 104 H LEU 104 5.357 5.766 4.416 664 HA LEU 104 HA LEU 104 6.351 5.715 1.861 665 HB2 LEU 104 1HB LEU 104 7.555 4.086 4.087 666 HB3 LEU 104 2HB LEU 104 8.380 4.799 2.718 667 HG LEU 104 HG LEU 104 7.287 6.196 5.151 668 HD11 LEU 104 1HD1 LEU 104 10.018 6.064 3.909 669 HD12 LEU 104 2HD1 LEU 104 9.489 5.249 5.381 670 HD13 LEU 104 3HD1 LEU 104 9.579 7.010 5.330 671 HD21 LEU 104 3HD2 LEU 104 6.630 7.555 3.285 672 HD22 LEU 104 1HD2 LEU 104 8.252 7.442 2.596 673 HD23 LEU 104 2HD2 LEU 104 8.000 8.298 4.115 674 H VAL 105 H VAL 105 5.216 2.988 3.773 675 HA VAL 105 HA VAL 105 4.891 1.454 1.268 676 HB VAL 105 HB VAL 105 5.207 -0.623 2.713 677 HG11 VAL 105 1HG1 VAL 105 7.593 1.155 2.205 678 HG12 VAL 105 2HG1 VAL 105 6.840 0.066 1.040 679 HG13 VAL 105 3HG1 VAL 105 7.651 -0.588 2.464 680 HG21 VAL 105 3HG2 VAL 105 6.474 -0.445 4.722 681 HG22 VAL 105 1HG2 VAL 105 5.083 0.626 4.858 682 HG23 VAL 105 2HG2 VAL 105 6.678 1.294 4.507 683 H ASN 106 H ASN 106 3.011 0.361 1.110 684 HA ASN 106 HA ASN 106 1.083 0.508 3.313 685 HB2 ASN 106 1HB ASN 106 1.077 2.461 1.489 686 HB3 ASN 106 2HB ASN 106 0.180 1.264 0.565 687 HD21 ASN 106 2HD2 ASN 106 -1.514 2.820 0.657 688 HD22 ASN 106 1HD2 ASN 106 -2.544 2.875 2.043 689 H VAL 107 H VAL 107 -0.540 -1.184 3.150 690 HA VAL 107 HA VAL 107 0.130 -3.169 1.073 691 HB VAL 107 HB VAL 107 -0.195 -4.964 2.798 692 HG11 VAL 107 1HG1 VAL 107 2.142 -3.085 3.155 693 HG12 VAL 107 2HG1 VAL 107 2.015 -4.380 1.965 694 HG13 VAL 107 3HG1 VAL 107 2.094 -4.767 3.683 695 HG21 VAL 107 3HG2 VAL 107 -1.303 -3.620 4.500 696 HG22 VAL 107 1HG2 VAL 107 0.168 -2.673 4.720 697 HG23 VAL 107 2HG2 VAL 107 0.152 -4.388 5.138 698 H GLY 108 H GLY 108 -1.406 -4.635 0.469 699 HA2 GLY 108 1HA GLY 108 -3.497 -5.488 0.073 700 HA3 GLY 108 2HA GLY 108 -3.934 -4.960 1.692 701 H CYS 109 H CYS 109 -3.016 -3.296 -1.302 702 HA CYS 109 HA CYS 109 -5.113 -1.347 -0.735 703 HB2 CYS 109 2HB CYS 109 -2.768 -1.290 -2.635 704 HB3 CYS 109 1HB CYS 109 -3.951 0.000 -2.501 705 H THR 110 H THR 110 -6.943 -1.296 -1.798 706 HA THR 110 HA THR 110 -7.064 -2.408 -4.523 707 HB THR 110 HB THR 110 -9.529 -2.747 -4.054 708 HG1 THR 110 1HG THR 110 -10.168 -1.879 -2.231 709 HG21 THR 110 3HG2 THR 110 -7.578 -4.323 -2.372 710 HG22 THR 110 1HG2 THR 110 -7.976 -4.627 -4.062 711 HG23 THR 110 2HG2 THR 110 -9.203 -4.843 -2.814 712 HA PRO 111 HA PRO 111 -7.875 1.833 -5.755 713 HB2 PRO 111 2HB PRO 111 -9.280 0.346 -7.929 714 HB3 PRO 111 1HB PRO 111 -8.132 1.686 -8.040 715 HG2 PRO 111 2HG PRO 111 -7.342 -0.789 -8.584 716 HG3 PRO 111 1HG PRO 111 -6.291 0.313 -7.675 717 HD2 PRO 111 2HD PRO 111 -7.929 -1.980 -6.699 718 HD3 PRO 111 1HD PRO 111 -6.340 -1.411 -6.152 719 H ILE 112 H ILE 112 -9.342 2.810 -4.527 720 HA ILE 112 HA ILE 112 -12.007 1.757 -4.217 721 HB ILE 112 HB ILE 112 -11.178 2.685 -2.229 722 HG12 ILE 112 1HG1 ILE 112 -13.004 4.735 -3.500 723 HG13 ILE 112 2HG1 ILE 112 -13.488 3.308 -2.598 724 HG21 ILE 112 1HG2 ILE 112 -10.405 5.140 -3.787 725 HG22 ILE 112 2HG2 ILE 112 -9.319 3.945 -3.076 726 HG23 ILE 112 3HG2 ILE 112 -10.297 4.977 -2.035 727 HD11 ILE 112 3HD1 ILE 112 -12.517 4.249 -0.570 728 HD12 ILE 112 1HD1 ILE 112 -13.726 5.326 -1.267 729 HD13 ILE 112 2HD1 ILE 112 -12.011 5.676 -1.476 730 H ASN 113 H ASN 113 -13.577 2.135 -5.600 731 HA ASN 113 HA ASN 113 -13.523 4.644 -7.123 732 HB2 ASN 113 1HB ASN 113 -15.062 3.525 -8.723 733 HB3 ASN 113 2HB ASN 113 -13.498 2.731 -8.600 734 HD21 ASN 113 2HD2 ASN 113 -16.899 2.454 -8.085 735 HD22 ASN 113 1HD2 ASN 113 -16.906 0.782 -7.652 736 H ILE 114 H ILE 114 -14.790 6.160 -6.357 737 HA ILE 114 HA ILE 114 -17.055 5.409 -4.698 738 HB ILE 114 HB ILE 114 -17.159 8.061 -4.515 739 HG12 ILE 114 1HG1 ILE 114 -14.827 8.952 -4.416 740 HG13 ILE 114 2HG1 ILE 114 -14.263 7.470 -5.176 741 HG21 ILE 114 1HG2 ILE 114 -16.897 6.494 -2.678 742 HG22 ILE 114 2HG2 ILE 114 -15.807 7.868 -2.494 743 HG23 ILE 114 3HG2 ILE 114 -15.183 6.316 -3.057 744 HD11 ILE 114 3HD1 ILE 114 -15.616 7.987 -7.142 745 HD12 ILE 114 1HD1 ILE 114 -14.436 9.249 -6.790 746 HD13 ILE 114 2HD1 ILE 114 -16.131 9.490 -6.377 747 H GLY 115 H GLY 115 -16.485 6.217 -7.903 748 HA2 GLY 115 1HA GLY 115 -18.018 6.223 -9.633 749 HA3 GLY 115 2HA GLY 115 -19.309 6.120 -8.452 750 H LEU 116 H LEU 116 -17.363 8.629 -7.591 751 HA LEU 116 HA LEU 116 -19.269 10.545 -8.716 752 HB2 LEU 116 1HB LEU 116 -17.258 11.112 -6.550 753 HB3 LEU 116 2HB LEU 116 -18.730 11.983 -6.916 754 HG LEU 116 HG LEU 116 -18.737 9.169 -5.831 755 HD11 LEU 116 1HD1 LEU 116 -17.595 10.586 -4.236 756 HD12 LEU 116 2HD1 LEU 116 -19.205 10.176 -3.643 757 HD13 LEU 116 3HD1 LEU 116 -18.895 11.773 -4.325 758 HD21 LEU 116 3HD2 LEU 116 -21.029 9.904 -5.066 759 HD22 LEU 116 1HD2 LEU 116 -20.839 9.685 -6.804 760 HD23 LEU 116 2HD2 LEU 116 -20.838 11.307 -6.114 Start of MODEL 10 1 H1 LYS 10 1H LYS 10 -34.466 -5.254 23.133 2 H2 LYS 10 2H LYS 10 -33.719 -4.115 22.133 3 H3 LYS 10 3H LYS 10 -35.377 -4.408 21.988 4 HA LYS 10 HA LYS 10 -34.032 -3.238 24.346 5 HB2 LYS 10 1HB LYS 10 -35.755 -2.013 22.187 6 HB3 LYS 10 2HB LYS 10 -35.376 -1.206 23.700 7 HG2 LYS 10 1HG LYS 10 -33.029 -1.192 23.154 8 HG3 LYS 10 2HG LYS 10 -33.335 -2.117 21.683 9 HD2 LYS 10 1HD LYS 10 -34.746 -0.263 20.854 10 HD3 LYS 10 2HD LYS 10 -34.341 0.659 22.302 11 HE2 LYS 10 1HE LYS 10 -32.356 -0.345 20.265 12 HE3 LYS 10 2HE LYS 10 -32.977 1.300 20.349 13 HZ1 LYS 10 3HZ LYS 10 -30.835 1.155 21.413 14 HZ2 LYS 10 1HZ LYS 10 -31.379 -0.076 22.439 15 HZ3 LYS 10 2HZ LYS 10 -32.018 1.482 22.578 16 H ALA 11 H ALA 11 -35.868 -2.014 25.602 17 HA ALA 11 HA ALA 11 -38.211 -3.796 25.798 18 HB1 ALA 11 3HB ALA 11 -36.752 -4.028 27.745 19 HB2 ALA 11 1HB ALA 11 -38.284 -3.279 28.192 20 HB3 ALA 11 2HB ALA 11 -36.837 -2.288 28.024 21 H MET 12 H MET 12 -37.970 -1.563 24.089 22 HA MET 12 HA MET 12 -39.374 0.641 25.376 23 HB2 MET 12 1HB MET 12 -38.259 0.299 22.587 24 HB3 MET 12 2HB MET 12 -39.065 1.752 23.159 25 HG2 MET 12 1HG MET 12 -36.540 0.598 24.319 26 HG3 MET 12 2HG MET 12 -36.621 1.942 23.183 27 HE1 MET 12 3HE MET 12 -35.081 2.111 25.919 28 HE2 MET 12 1HE MET 12 -35.594 3.679 26.538 29 HE3 MET 12 2HE MET 12 -35.210 3.489 24.828 30 H ALA 13 H ALA 13 -39.756 -1.369 22.478 31 HA ALA 13 HA ALA 13 -41.543 -2.250 21.419 32 HB1 ALA 13 3HB ALA 13 -42.244 -3.085 23.593 33 HB2 ALA 13 1HB ALA 13 -43.637 -2.609 22.624 34 HB3 ALA 13 2HB ALA 13 -43.070 -1.565 23.927 35 H ASP 14 H ASP 14 -42.289 -1.285 19.717 36 HA ASP 14 HA ASP 14 -43.471 0.054 18.331 37 HB2 ASP 14 1HB ASP 14 -45.343 -0.081 19.882 38 HB3 ASP 14 2HB ASP 14 -44.664 1.225 20.848 39 H ILE 15 H ILE 15 -42.565 2.079 21.133 40 HA ILE 15 HA ILE 15 -41.349 3.969 19.231 41 HB ILE 15 HB ILE 15 -41.348 5.589 21.117 42 HG12 ILE 15 1HG1 ILE 15 -43.015 3.491 22.527 43 HG13 ILE 15 2HG1 ILE 15 -41.360 3.918 22.949 44 HG21 ILE 15 1HG2 ILE 15 -43.777 6.021 21.083 45 HG22 ILE 15 2HG2 ILE 15 -44.025 4.428 20.364 46 HG23 ILE 15 3HG2 ILE 15 -43.121 5.661 19.485 47 HD11 ILE 15 3HD1 ILE 15 -43.743 5.750 23.081 48 HD12 ILE 15 1HD1 ILE 15 -42.089 6.180 23.503 49 HD13 ILE 15 2HD1 ILE 15 -42.951 4.968 24.448 50 H GLY 16 H GLY 16 -39.452 5.218 20.473 51 HA2 GLY 16 1HA GLY 16 -37.441 5.136 21.617 52 HA3 GLY 16 2HA GLY 16 -37.903 3.564 22.249 53 H SER 17 H SER 17 -37.593 4.635 18.894 54 HA SER 17 HA SER 17 -36.244 4.011 17.187 55 HB2 SER 17 1HB SER 17 -34.428 4.710 18.742 56 HB3 SER 17 2HB SER 17 -34.347 3.058 19.347 57 HG SER 17 HG SER 17 -33.568 2.371 17.415 58 H THR 18 H THR 18 -38.088 2.413 17.017 59 HA THR 18 HA THR 18 -37.192 -0.343 17.466 60 HB THR 18 HB THR 18 -39.580 -0.916 16.879 61 HG1 THR 18 1HG THR 18 -40.774 1.348 17.408 62 HG21 THR 18 3HG2 THR 18 -39.151 0.951 19.215 63 HG22 THR 18 1HG2 THR 18 -38.809 -0.779 19.202 64 HG23 THR 18 2HG2 THR 18 -40.471 -0.208 19.051 65 H ALA 19 H ALA 19 -39.149 1.247 14.952 66 HA ALA 19 HA ALA 19 -38.173 -0.596 12.960 67 HB1 ALA 19 3HB ALA 19 -40.017 1.767 12.654 68 HB2 ALA 19 1HB ALA 19 -40.519 0.109 12.983 69 HB3 ALA 19 2HB ALA 19 -39.731 0.506 11.455 70 H VAL 20 H VAL 20 -35.932 0.401 13.589 71 HA VAL 20 HA VAL 20 -35.365 2.597 11.705 72 HB VAL 20 HB VAL 20 -33.708 1.758 14.092 73 HG11 VAL 20 1HG1 VAL 20 -32.473 3.833 13.677 74 HG12 VAL 20 2HG1 VAL 20 -33.462 4.135 12.249 75 HG13 VAL 20 3HG1 VAL 20 -32.385 2.740 12.296 76 HG21 VAL 20 3HG2 VAL 20 -35.540 4.131 13.759 77 HG22 VAL 20 1HG2 VAL 20 -34.469 3.849 15.129 78 HG23 VAL 20 2HG2 VAL 20 -35.810 2.747 14.817 79 HA PRO 21 HA PRO 21 -33.447 -1.004 9.706 80 HB2 PRO 21 2HB PRO 21 -33.392 0.086 7.220 81 HB3 PRO 21 1HB PRO 21 -34.825 -0.690 7.902 82 HG2 PRO 21 2HG PRO 21 -34.172 2.213 7.667 83 HG3 PRO 21 1HG PRO 21 -35.723 1.388 7.434 84 HD2 PRO 21 2HD PRO 21 -35.062 2.752 9.706 85 HD3 PRO 21 1HD PRO 21 -36.198 1.390 9.676 86 H ARG 22 H ARG 22 -31.371 -1.116 10.286 87 HA ARG 22 HA ARG 22 -29.551 1.100 9.823 88 HB2 ARG 22 1HB ARG 22 -29.019 -1.633 11.007 89 HB3 ARG 22 2HB ARG 22 -27.912 -0.269 11.017 90 HG2 ARG 22 1HG ARG 22 -29.452 0.984 12.432 91 HG3 ARG 22 2HG ARG 22 -30.579 -0.376 12.412 92 HD2 ARG 22 1HD ARG 22 -28.823 -1.788 13.425 93 HD3 ARG 22 2HD ARG 22 -27.777 -0.378 13.521 94 HE ARG 22 HE ARG 22 -29.776 0.534 14.917 95 HH11 ARG 22 1HH1 ARG 22 -28.538 -2.739 14.917 96 HH12 ARG 22 2HH1 ARG 22 -28.956 -3.039 16.574 97 HH21 ARG 22 1HH2 ARG 22 -30.337 0.143 17.107 98 HH22 ARG 22 2HH2 ARG 22 -29.975 -1.401 17.816 99 H ASP 23 H ASP 23 -30.207 -2.126 8.625 100 HA ASP 23 HA ASP 23 -27.980 -2.022 6.760 101 HB2 ASP 23 1HB ASP 23 -28.564 -4.164 7.841 102 HB3 ASP 23 2HB ASP 23 -30.156 -4.101 7.091 103 H VAL 24 H VAL 24 -28.342 -0.522 5.232 104 HA VAL 24 HA VAL 24 -31.023 -0.200 4.141 105 HB VAL 24 HB VAL 24 -30.070 1.821 3.023 106 HG11 VAL 24 1HG1 VAL 24 -29.719 1.659 6.015 107 HG12 VAL 24 2HG1 VAL 24 -31.226 1.988 5.159 108 HG13 VAL 24 3HG1 VAL 24 -29.898 3.143 5.079 109 HG21 VAL 24 3HG2 VAL 24 -27.880 2.640 3.737 110 HG22 VAL 24 1HG2 VAL 24 -27.737 1.094 2.900 111 HG23 VAL 24 2HG2 VAL 24 -27.623 1.157 4.657 112 H ASN 25 H ASN 25 -29.276 -2.494 3.454 113 HA ASN 25 HA ASN 25 -28.859 -3.819 1.663 114 HB2 ASN 25 1HB ASN 25 -31.244 -3.211 1.171 115 HB3 ASN 25 2HB ASN 25 -30.650 -1.925 0.127 116 HD21 ASN 25 2HD2 ASN 25 -31.567 -2.782 -1.713 117 HD22 ASN 25 1HD2 ASN 25 -30.975 -4.219 -2.469 118 H GLY 26 H GLY 26 -26.753 -2.403 2.080 119 HA2 GLY 26 1HA GLY 26 -25.099 -2.419 0.059 120 HA3 GLY 26 2HA GLY 26 -26.013 -0.983 -0.374 121 H GLY 27 H GLY 27 -26.259 0.581 1.576 122 HA2 GLY 27 1HA GLY 27 -25.076 1.178 3.714 123 HA3 GLY 27 2HA GLY 27 -23.596 0.824 2.834 124 H THR 28 H THR 28 -23.183 3.088 3.617 125 HA THR 28 HA THR 28 -24.516 5.275 2.400 126 HB THR 28 HB THR 28 -21.675 5.298 3.416 127 HG1 THR 28 1HG THR 28 -24.110 5.411 4.914 128 HG21 THR 28 3HG2 THR 28 -23.879 7.365 3.409 129 HG22 THR 28 1HG2 THR 28 -22.434 7.376 2.404 130 HG23 THR 28 2HG2 THR 28 -22.292 7.580 4.147 131 HA PRO 29 HA PRO 29 -23.330 4.784 -1.805 132 HB2 PRO 29 2HB PRO 29 -23.143 7.766 -1.700 133 HB3 PRO 29 1HB PRO 29 -23.933 6.730 -2.890 134 HG2 PRO 29 2HG PRO 29 -25.358 7.960 -1.012 135 HG3 PRO 29 1HG PRO 29 -25.750 6.307 -1.514 136 HD2 PRO 29 2HD PRO 29 -24.461 7.269 0.989 137 HD3 PRO 29 1HD PRO 29 -25.484 5.844 0.716 138 HA PRO 30 HA PRO 30 -19.000 6.988 -1.936 139 HB2 PRO 30 2HB PRO 30 -18.122 8.097 0.371 140 HB3 PRO 30 1HB PRO 30 -18.929 9.020 -0.895 141 HG2 PRO 30 2HG PRO 30 -20.056 7.870 1.629 142 HG3 PRO 30 1HG PRO 30 -20.318 9.477 0.921 143 HD2 PRO 30 2HD PRO 30 -22.135 7.534 0.629 144 HD3 PRO 30 1HD PRO 30 -21.783 8.668 -0.686 145 H LYS 31 H LYS 31 -17.839 5.157 -1.977 146 HA LYS 31 HA LYS 31 -17.786 3.331 0.227 147 HB2 LYS 31 1HB LYS 31 -17.637 2.510 -2.077 148 HB3 LYS 31 2HB LYS 31 -16.129 3.386 -2.292 149 HG2 LYS 31 1HG LYS 31 -15.133 2.003 -0.481 150 HG3 LYS 31 2HG LYS 31 -16.624 1.066 -0.442 151 HD2 LYS 31 1HD LYS 31 -14.930 1.404 -2.907 152 HD3 LYS 31 2HD LYS 31 -14.760 0.058 -1.784 153 HE2 LYS 31 1HE LYS 31 -17.157 -0.490 -2.188 154 HE3 LYS 31 2HE LYS 31 -17.185 0.766 -3.427 155 HZ1 LYS 31 3HZ LYS 31 -15.467 -1.658 -3.427 156 HZ2 LYS 31 1HZ LYS 31 -15.416 -0.434 -4.594 157 HZ3 LYS 31 2HZ LYS 31 -16.805 -1.382 -4.423 158 H SER 32 H SER 32 -16.156 2.948 1.675 159 HA SER 32 HA SER 32 -13.643 4.368 1.434 160 HB2 SER 32 1HB SER 32 -13.907 5.219 3.836 161 HB3 SER 32 2HB SER 32 -14.802 6.069 2.579 162 HG SER 32 HG SER 32 -16.495 4.337 3.269 163 H CYS 33 H CYS 33 -12.307 3.826 3.555 164 HA CYS 33 HA CYS 33 -12.240 0.939 3.617 165 HB2 CYS 33 2HB CYS 33 -10.435 3.007 4.893 166 HB3 CYS 33 1HB CYS 33 -10.144 1.271 4.909 167 H SER 34 H SER 34 -12.997 -0.317 5.193 168 HA SER 34 HA SER 34 -14.306 0.821 7.471 169 HB2 SER 34 1HB SER 34 -14.562 -1.652 8.096 170 HB3 SER 34 2HB SER 34 -15.309 -1.137 6.585 171 HG SER 34 HG SER 34 -12.816 -2.469 6.893 172 H SER 35 H SER 35 -11.166 -0.263 6.729 173 HA SER 35 HA SER 35 -10.266 -0.801 9.382 174 HB2 SER 35 1HB SER 35 -9.151 -1.731 7.386 175 HB3 SER 35 2HB SER 35 -8.712 -0.104 6.873 176 HG SER 35 HG SER 35 -7.822 -1.492 9.184 177 H GLY 36 H GLY 36 -10.868 2.044 7.563 178 HA2 GLY 36 1HA GLY 36 -10.904 3.989 9.269 179 HA3 GLY 36 2HA GLY 36 -9.177 3.674 9.321 180 HA PRO 37 HA PRO 37 -9.317 7.048 6.252 181 HB2 PRO 37 2HB PRO 37 -6.414 6.479 6.458 182 HB3 PRO 37 1HB PRO 37 -7.263 8.024 6.511 183 HG2 PRO 37 2HG PRO 37 -6.266 6.883 8.727 184 HG3 PRO 37 1HG PRO 37 -7.764 7.830 8.746 185 HD2 PRO 37 2HD PRO 37 -7.378 4.897 8.937 186 HD3 PRO 37 1HD PRO 37 -8.670 5.925 9.591 187 H VAL 38 H VAL 38 -8.868 7.149 4.103 188 HA VAL 38 HA VAL 38 -8.227 4.649 2.731 189 HB VAL 38 HB VAL 38 -9.234 7.314 1.684 190 HG11 VAL 38 1HG1 VAL 38 -9.612 6.170 -0.442 191 HG12 VAL 38 2HG1 VAL 38 -8.840 4.720 0.202 192 HG13 VAL 38 3HG1 VAL 38 -7.901 6.198 -0.014 193 HG21 VAL 38 3HG2 VAL 38 -10.864 6.085 3.019 194 HG22 VAL 38 1HG2 VAL 38 -10.618 4.663 2.006 195 HG23 VAL 38 2HG2 VAL 38 -11.329 6.122 1.316 196 H TYR 39 H TYR 39 -6.625 4.860 0.841 197 HA TYR 39 HA TYR 39 -4.562 6.823 1.583 198 HB2 TYR 39 2HB TYR 39 -4.002 4.023 0.608 199 HB3 TYR 39 1HB TYR 39 -2.827 5.207 1.160 200 HD1 TYR 39 1HD TYR 39 -2.608 5.725 3.554 201 HD2 TYR 39 2HD TYR 39 -5.316 2.750 2.176 202 HE1 TYR 39 1HE TYR 39 -2.816 4.858 5.848 203 HE2 TYR 39 2HE TYR 39 -5.529 1.870 4.460 204 HH TYR 39 HH TYR 39 -4.429 1.863 6.541 205 H CYS 40 H CYS 40 -3.810 8.035 0.039 206 HA CYS 40 HA CYS 40 -4.481 7.328 -2.727 207 HB2 CYS 40 2HB CYS 40 -5.305 9.530 -1.865 208 HB3 CYS 40 1HB CYS 40 -3.628 10.029 -1.669 209 H CYS 41 H CYS 41 -2.885 6.241 -3.629 210 HA CYS 41 HA CYS 41 -0.111 6.825 -2.882 211 HB2 CYS 41 2HB CYS 41 -1.270 4.537 -4.488 212 HB3 CYS 41 1HB CYS 41 0.392 4.673 -3.923 213 H ASN 42 H ASN 42 1.257 7.757 -4.210 214 HA ASN 42 HA ASN 42 0.542 9.002 -6.608 215 HB2 ASN 42 1HB ASN 42 3.244 8.150 -5.563 216 HB3 ASN 42 2HB ASN 42 3.024 9.187 -6.970 217 HD21 ASN 42 2HD2 ASN 42 4.098 10.907 -6.044 218 HD22 ASN 42 1HD2 ASN 42 3.429 11.835 -4.749 219 H LYS 43 H LYS 43 1.524 5.838 -5.867 220 HA LYS 43 HA LYS 43 0.818 4.762 -8.413 221 HB2 LYS 43 1HB LYS 43 3.682 4.792 -7.497 222 HB3 LYS 43 2HB LYS 43 3.090 3.486 -8.489 223 HG2 LYS 43 1HG LYS 43 2.992 6.370 -9.322 224 HG3 LYS 43 2HG LYS 43 4.362 5.311 -9.653 225 HD2 LYS 43 1HD LYS 43 3.226 4.962 -11.583 226 HD3 LYS 43 2HD LYS 43 2.380 3.771 -10.591 227 HE2 LYS 43 1HE LYS 43 0.757 5.087 -11.778 228 HE3 LYS 43 2HE LYS 43 0.694 5.479 -10.059 229 HZ1 LYS 43 3HZ LYS 43 1.910 7.482 -10.447 230 HZ2 LYS 43 1HZ LYS 43 0.595 7.449 -11.511 231 HZ3 LYS 43 2HZ LYS 43 2.149 7.096 -12.078 232 H THR 44 H THR 44 -0.140 2.762 -7.886 233 HA THR 44 HA THR 44 0.769 1.519 -5.406 234 HB THR 44 HB THR 44 -0.858 -0.300 -6.018 235 HG1 THR 44 1HG THR 44 -2.269 1.323 -7.719 236 HG21 THR 44 3HG2 THR 44 -2.783 1.002 -5.327 237 HG22 THR 44 1HG2 THR 44 -1.954 2.499 -5.748 238 HG23 THR 44 2HG2 THR 44 -1.350 1.491 -4.431 239 H GLU 45 H GLU 45 1.401 -0.724 -5.408 240 HA GLU 45 HA GLU 45 2.913 -1.439 -7.833 241 HB2 GLU 45 1HB GLU 45 4.287 -0.462 -5.910 242 HB3 GLU 45 2HB GLU 45 3.905 -1.935 -5.028 243 HG2 GLU 45 1HG GLU 45 6.075 -2.119 -6.065 244 HG3 GLU 45 2HG GLU 45 4.950 -3.254 -6.810 245 H ASP 46 H ASP 46 2.943 -3.579 -8.355 246 HA ASP 46 HA ASP 46 0.790 -5.157 -7.339 247 HB2 ASP 46 1HB ASP 46 2.977 -5.779 -9.326 248 HB3 ASP 46 2HB ASP 46 1.681 -6.898 -8.924 249 H SER 47 H SER 47 0.907 -6.115 -5.439 250 HA SER 47 HA SER 47 3.299 -6.608 -4.045 251 HB2 SER 47 1HB SER 47 1.904 -7.702 -2.378 252 HB3 SER 47 2HB SER 47 1.108 -6.241 -2.958 253 HG SER 47 HG SER 47 -0.347 -7.435 -4.046 254 H LYS 48 H LYS 48 2.072 -8.341 -6.594 255 HA LYS 48 HA LYS 48 2.722 -10.975 -5.788 256 HB2 LYS 48 1HB LYS 48 2.324 -9.747 -8.519 257 HB3 LYS 48 2HB LYS 48 2.573 -11.462 -8.243 258 HG2 LYS 48 1HG LYS 48 0.271 -11.135 -8.493 259 HG3 LYS 48 2HG LYS 48 0.570 -11.391 -6.779 260 HD2 LYS 48 1HD LYS 48 0.410 -9.029 -6.351 261 HD3 LYS 48 2HD LYS 48 0.180 -8.707 -8.073 262 HE2 LYS 48 1HE LYS 48 -1.943 -8.662 -6.841 263 HE3 LYS 48 2HE LYS 48 -1.909 -9.944 -8.050 264 HZ1 LYS 48 3HZ LYS 48 -2.849 -10.758 -6.001 265 HZ2 LYS 48 1HZ LYS 48 -1.482 -10.280 -5.127 266 HZ3 LYS 48 2HZ LYS 48 -1.366 -11.521 -6.270 267 H HIS 49 H HIS 49 4.335 -8.418 -7.550 268 HA HIS 49 HA HIS 49 6.904 -9.757 -7.198 269 HB2 HIS 49 1HB HIS 49 5.769 -8.828 -9.827 270 HB3 HIS 49 2HB HIS 49 7.479 -9.082 -9.575 271 HD1 HIS 49 HD1 HIS 49 8.345 -11.448 -9.766 272 HD2 HIS 49 HD2 HIS 49 4.192 -11.228 -9.727 273 HE1 HIS 49 HE1 HIS 49 7.534 -13.761 -10.338 274 HE2 HIS 49 HE2 HIS 49 5.028 -13.567 -10.441 275 H LEU 50 H LEU 50 6.579 -7.828 -5.570 276 HA LEU 50 HA LEU 50 6.892 -5.199 -6.352 277 HB2 LEU 50 1HB LEU 50 8.038 -6.659 -3.983 278 HB3 LEU 50 2HB LEU 50 8.093 -4.929 -4.177 279 HG LEU 50 HG LEU 50 6.303 -5.199 -2.780 280 HD11 LEU 50 1HD1 LEU 50 4.303 -4.683 -3.990 281 HD12 LEU 50 2HD1 LEU 50 5.016 -5.305 -5.477 282 HD13 LEU 50 3HD1 LEU 50 5.684 -3.861 -4.714 283 HD21 LEU 50 3HD2 LEU 50 4.694 -6.921 -2.804 284 HD22 LEU 50 1HD2 LEU 50 6.290 -7.662 -2.928 285 HD23 LEU 50 2HD2 LEU 50 5.273 -7.516 -4.363 286 H ASP 51 H ASP 51 8.646 -3.877 -6.710 287 HA ASP 51 HA ASP 51 10.948 -4.992 -7.948 288 HB2 ASP 51 1HB ASP 51 10.231 -2.201 -7.060 289 HB3 ASP 51 2HB ASP 51 11.803 -2.575 -7.754 290 H LYS 52 H LYS 52 13.233 -4.384 -7.166 291 HA LYS 52 HA LYS 52 13.644 -5.622 -4.685 292 HB2 LYS 52 1HB LYS 52 15.492 -3.853 -6.279 293 HB3 LYS 52 2HB LYS 52 15.971 -4.664 -4.795 294 HG2 LYS 52 1HG LYS 52 16.756 -6.087 -6.434 295 HG3 LYS 52 2HG LYS 52 15.211 -6.817 -6.002 296 HD2 LYS 52 1HD LYS 52 14.160 -5.765 -7.932 297 HD3 LYS 52 2HD LYS 52 15.687 -4.986 -8.351 298 HE2 LYS 52 1HE LYS 52 16.703 -7.248 -8.567 299 HE3 LYS 52 2HE LYS 52 15.102 -7.942 -8.317 300 HZ1 LYS 52 3HZ LYS 52 15.684 -7.767 -10.668 301 HZ2 LYS 52 1HZ LYS 52 15.828 -6.089 -10.517 302 HZ3 LYS 52 2HZ LYS 52 14.328 -6.830 -10.295 303 H GLY 53 H GLY 53 13.728 -2.192 -5.566 304 HA2 GLY 53 1HA GLY 53 14.480 -1.139 -3.108 305 HA3 GLY 53 2HA GLY 53 13.494 -0.299 -4.295 306 H THR 54 H THR 54 11.265 -2.048 -4.243 307 HA THR 54 HA THR 54 9.976 -1.047 -1.889 308 HB THR 54 HB THR 54 8.813 -2.972 -3.902 309 HG1 THR 54 1HG THR 54 7.969 -0.589 -4.501 310 HG21 THR 54 3HG2 THR 54 6.681 -1.910 -3.223 311 HG22 THR 54 1HG2 THR 54 7.563 -0.957 -2.025 312 HG23 THR 54 2HG2 THR 54 7.490 -2.716 -1.874 313 H THR 55 H THR 55 10.841 -4.238 -3.141 314 HA THR 55 HA THR 55 9.946 -5.812 -1.028 315 HB THR 55 HB THR 55 12.426 -6.147 -2.734 316 HG1 THR 55 1HG THR 55 10.774 -6.327 -4.116 317 HG21 THR 55 3HG2 THR 55 12.575 -7.500 -0.712 318 HG22 THR 55 1HG2 THR 55 12.310 -8.520 -2.126 319 HG23 THR 55 2HG2 THR 55 10.975 -8.173 -1.027 320 H ALA 56 H ALA 56 12.797 -3.826 -1.397 321 HA ALA 56 HA ALA 56 14.228 -4.556 0.872 322 HB1 ALA 56 3HB ALA 56 15.241 -2.321 0.731 323 HB2 ALA 56 1HB ALA 56 13.990 -1.843 -0.418 324 HB3 ALA 56 2HB ALA 56 15.143 -3.109 -0.845 325 H LEU 57 H LEU 57 11.835 -1.901 0.557 326 HA LEU 57 HA LEU 57 11.887 -1.083 3.239 327 HB2 LEU 57 1HB LEU 57 9.516 -1.047 1.376 328 HB3 LEU 57 2HB LEU 57 9.629 -0.173 2.884 329 HG LEU 57 HG LEU 57 10.327 1.572 1.720 330 HD11 LEU 57 1HD1 LEU 57 12.600 1.710 1.004 331 HD12 LEU 57 2HD1 LEU 57 12.711 -0.044 0.864 332 HD13 LEU 57 3HD1 LEU 57 12.548 0.703 2.456 333 HD21 LEU 57 3HD2 LEU 57 10.465 1.580 -0.620 334 HD22 LEU 57 1HD2 LEU 57 9.290 0.322 -0.226 335 HD23 LEU 57 2HD2 LEU 57 10.941 -0.117 -0.671 336 H LEU 58 H LEU 58 9.806 -3.372 1.578 337 HA LEU 58 HA LEU 58 8.216 -4.119 3.747 338 HB2 LEU 58 1HB LEU 58 9.123 -5.923 1.516 339 HB3 LEU 58 2HB LEU 58 7.655 -6.069 2.465 340 HG LEU 58 HG LEU 58 8.252 -3.823 0.527 341 HD11 LEU 58 1HD1 LEU 58 7.865 -5.947 -0.596 342 HD12 LEU 58 2HD1 LEU 58 6.508 -4.844 -0.838 343 HD13 LEU 58 3HD1 LEU 58 6.375 -6.171 0.322 344 HD21 LEU 58 3HD2 LEU 58 5.755 -4.464 2.098 345 HD22 LEU 58 1HD2 LEU 58 5.915 -3.201 0.874 346 HD23 LEU 58 2HD2 LEU 58 6.838 -3.100 2.374 347 H GLY 59 H GLY 59 11.243 -5.505 2.543 348 HA2 GLY 59 1HA GLY 59 11.563 -7.473 4.489 349 HA3 GLY 59 2HA GLY 59 12.876 -6.691 3.624 350 H LEU 60 H LEU 60 12.391 -4.027 4.595 351 HA LEU 60 HA LEU 60 13.881 -4.012 6.977 352 HB2 LEU 60 1HB LEU 60 11.983 -1.847 6.061 353 HB3 LEU 60 2HB LEU 60 13.348 -1.656 7.145 354 HG LEU 60 HG LEU 60 13.395 -2.125 4.173 355 HD11 LEU 60 1HD1 LEU 60 13.108 0.170 4.928 356 HD12 LEU 60 2HD1 LEU 60 14.681 -0.065 4.166 357 HD13 LEU 60 3HD1 LEU 60 14.557 0.031 5.923 358 HD21 LEU 60 3HD2 LEU 60 15.820 -2.282 4.331 359 HD22 LEU 60 1HD2 LEU 60 15.039 -3.602 5.201 360 HD23 LEU 60 2HD2 LEU 60 15.716 -2.239 6.091 361 H LEU 61 H LEU 61 10.470 -3.675 6.361 362 HA LEU 61 HA LEU 61 9.816 -3.380 9.167 363 HB2 LEU 61 1HB LEU 61 8.033 -3.579 6.748 364 HB3 LEU 61 2HB LEU 61 7.541 -3.075 8.356 365 HG LEU 61 HG LEU 61 9.722 -1.555 7.011 366 HD11 LEU 61 1HD1 LEU 61 8.015 -0.113 5.957 367 HD12 LEU 61 2HD1 LEU 61 6.799 -1.331 6.349 368 HD13 LEU 61 3HD1 LEU 61 8.122 -1.722 5.249 369 HD21 LEU 61 3HD2 LEU 61 9.097 -1.035 9.309 370 HD22 LEU 61 1HD2 LEU 61 7.428 -0.774 8.802 371 HD23 LEU 61 2HD2 LEU 61 8.704 0.299 8.224 372 H ASN 62 H ASN 62 10.503 -5.932 7.256 373 HA ASN 62 HA ASN 62 10.421 -8.170 7.594 374 HB2 ASN 62 1HB ASN 62 9.031 -7.400 10.151 375 HB3 ASN 62 2HB ASN 62 9.466 -9.052 9.735 376 HD21 ASN 62 2HD2 ASN 62 10.322 -7.459 11.980 377 HD22 ASN 62 1HD2 ASN 62 12.045 -7.351 11.884 378 H ILE 63 H ILE 63 8.390 -6.706 6.151 379 HA ILE 63 HA ILE 63 5.908 -8.111 6.562 380 HB ILE 63 HB ILE 63 6.833 -6.374 4.260 381 HG12 ILE 63 1HG1 ILE 63 4.916 -5.626 6.458 382 HG13 ILE 63 2HG1 ILE 63 6.653 -5.397 6.635 383 HG21 ILE 63 1HG2 ILE 63 5.015 -7.882 3.614 384 HG22 ILE 63 2HG2 ILE 63 4.473 -6.202 3.670 385 HG23 ILE 63 3HG2 ILE 63 4.056 -7.307 4.980 386 HD11 ILE 63 3HD1 ILE 63 6.698 -3.913 4.772 387 HD12 ILE 63 1HD1 ILE 63 5.456 -3.379 5.901 388 HD13 ILE 63 2HD1 ILE 63 5.000 -4.231 4.421 389 H LYS 64 H LYS 64 5.063 -9.691 5.252 390 HA LYS 64 HA LYS 64 7.079 -11.263 3.837 391 HB2 LYS 64 1HB LYS 64 5.278 -13.081 3.983 392 HB3 LYS 64 2HB LYS 64 6.078 -12.616 5.473 393 HG2 LYS 64 1HG LYS 64 3.493 -11.331 4.715 394 HG3 LYS 64 2HG LYS 64 3.504 -12.949 5.414 395 HD2 LYS 64 1HD LYS 64 4.706 -12.095 7.363 396 HD3 LYS 64 2HD LYS 64 4.707 -10.481 6.664 397 HE2 LYS 64 1HE LYS 64 2.940 -10.794 8.360 398 HE3 LYS 64 2HE LYS 64 2.303 -10.381 6.770 399 HZ1 LYS 64 3HZ LYS 64 1.625 -12.601 6.410 400 HZ2 LYS 64 1HZ LYS 64 1.107 -12.196 7.969 401 HZ3 LYS 64 2HZ LYS 64 2.473 -13.170 7.764 402 H ILE 65 H ILE 65 7.119 -11.227 1.738 403 HA ILE 65 HA ILE 65 5.220 -9.700 0.263 404 HB ILE 65 HB ILE 65 7.681 -11.241 -0.545 405 HG12 ILE 65 1HG1 ILE 65 8.499 -8.978 -1.175 406 HG13 ILE 65 2HG1 ILE 65 6.997 -8.296 -0.576 407 HG21 ILE 65 1HG2 ILE 65 5.911 -9.639 -2.376 408 HG22 ILE 65 2HG2 ILE 65 6.036 -11.399 -2.366 409 HG23 ILE 65 3HG2 ILE 65 7.433 -10.417 -2.808 410 HD11 ILE 65 3HD1 ILE 65 8.836 -8.010 1.007 411 HD12 ILE 65 1HD1 ILE 65 9.045 -9.761 1.078 412 HD13 ILE 65 2HD1 ILE 65 7.557 -9.027 1.678 413 H GLY 66 H GLY 66 5.935 -13.135 0.599 414 HA2 GLY 66 1HA GLY 66 4.222 -13.957 -1.551 415 HA3 GLY 66 2HA GLY 66 4.946 -15.001 -0.340 416 H ASP 67 H ASP 67 3.435 -12.673 1.366 417 HA ASP 67 HA ASP 67 0.968 -14.269 1.596 418 HB2 ASP 67 1HB ASP 67 2.398 -14.437 3.571 419 HB3 ASP 67 2HB ASP 67 2.466 -12.688 3.695 420 H LEU 68 H LEU 68 2.093 -11.525 0.322 421 HA LEU 68 HA LEU 68 0.195 -9.605 1.252 422 HB2 LEU 68 1HB LEU 68 1.966 -9.651 -1.186 423 HB3 LEU 68 2HB LEU 68 0.991 -8.277 -0.696 424 HG LEU 68 HG LEU 68 3.238 -9.487 0.912 425 HD11 LEU 68 1HD1 LEU 68 4.433 -7.436 0.399 426 HD12 LEU 68 2HD1 LEU 68 3.087 -6.883 -0.598 427 HD13 LEU 68 3HD1 LEU 68 4.015 -8.306 -1.076 428 HD21 LEU 68 3HD2 LEU 68 2.924 -7.432 2.298 429 HD22 LEU 68 1HD2 LEU 68 1.596 -8.592 2.391 430 HD23 LEU 68 2HD2 LEU 68 1.423 -7.138 1.412 431 H LYS 69 H LYS 69 -1.488 -8.654 0.013 432 HA LYS 69 HA LYS 69 -2.969 -10.738 -1.382 433 HB2 LYS 69 1HB LYS 69 -3.880 -8.150 -0.150 434 HB3 LYS 69 2HB LYS 69 -4.939 -9.317 -0.922 435 HG2 LYS 69 1HG LYS 69 -4.310 -10.991 0.736 436 HG3 LYS 69 2HG LYS 69 -3.238 -9.822 1.508 437 HD2 LYS 69 1HD LYS 69 -5.130 -8.394 2.022 438 HD3 LYS 69 2HD LYS 69 -6.220 -9.504 1.190 439 HE2 LYS 69 1HE LYS 69 -4.597 -10.091 3.662 440 HE3 LYS 69 2HE LYS 69 -6.342 -9.850 3.586 441 HZ1 LYS 69 3HZ LYS 69 -6.468 -11.823 2.142 442 HZ2 LYS 69 1HZ LYS 69 -5.856 -12.181 3.676 443 HZ3 LYS 69 2HZ LYS 69 -4.810 -12.075 2.354 444 H ASP 70 H ASP 70 -3.782 -7.374 -1.844 445 HA ASP 70 HA ASP 70 -3.757 -7.895 -4.700 446 HB2 ASP 70 1HB ASP 70 -5.091 -5.896 -2.943 447 HB3 ASP 70 2HB ASP 70 -4.852 -5.484 -4.635 448 H LEU 71 H LEU 71 -3.337 -4.643 -3.512 449 HA LEU 71 HA LEU 71 -0.728 -4.586 -4.876 450 HB2 LEU 71 1HB LEU 71 -2.729 -2.388 -4.398 451 HB3 LEU 71 2HB LEU 71 -1.095 -2.098 -4.942 452 HG LEU 71 HG LEU 71 -2.141 -2.009 -6.927 453 HD11 LEU 71 1HD1 LEU 71 -1.822 -4.981 -6.644 454 HD12 LEU 71 2HD1 LEU 71 -0.588 -3.826 -7.150 455 HD13 LEU 71 3HD1 LEU 71 -2.003 -4.105 -8.164 456 HD21 LEU 71 3HD2 LEU 71 -4.365 -2.343 -5.882 457 HD22 LEU 71 1HD2 LEU 71 -4.154 -4.081 -6.093 458 HD23 LEU 71 2HD2 LEU 71 -4.224 -3.026 -7.506 459 H VAL 72 H VAL 72 0.785 -2.979 -4.066 460 HA VAL 72 HA VAL 72 0.396 -2.231 -1.242 461 HB VAL 72 HB VAL 72 2.486 -2.797 -0.646 462 HG11 VAL 72 1HG1 VAL 72 3.633 -4.532 -2.003 463 HG12 VAL 72 2HG1 VAL 72 2.445 -4.244 -3.276 464 HG13 VAL 72 3HG1 VAL 72 1.924 -4.843 -1.704 465 HG21 VAL 72 3HG2 VAL 72 3.620 -0.983 -1.588 466 HG22 VAL 72 1HG2 VAL 72 3.403 -1.592 -3.233 467 HG23 VAL 72 2HG2 VAL 72 4.513 -2.408 -2.135 468 H GLY 73 H GLY 73 1.573 -0.055 -0.835 469 HA2 GLY 73 1HA GLY 73 1.595 1.543 -3.291 470 HA3 GLY 73 2HA GLY 73 0.586 2.050 -1.949 471 H LEU 74 H LEU 74 3.184 3.023 -3.386 472 HA LEU 74 HA LEU 74 4.739 3.361 -0.940 473 HB2 LEU 74 1HB LEU 74 6.639 4.023 -2.253 474 HB3 LEU 74 2HB LEU 74 6.037 2.482 -2.802 475 HG LEU 74 HG LEU 74 6.782 3.681 -4.697 476 HD11 LEU 74 1HD1 LEU 74 4.875 3.790 -6.110 477 HD12 LEU 74 2HD1 LEU 74 3.800 3.963 -4.726 478 HD13 LEU 74 3HD1 LEU 74 4.673 2.452 -4.978 479 HD21 LEU 74 3HD2 LEU 74 5.978 5.891 -5.348 480 HD22 LEU 74 1HD2 LEU 74 6.823 5.925 -3.799 481 HD23 LEU 74 2HD2 LEU 74 5.062 5.996 -3.843 482 H ASN 75 H ASN 75 5.049 5.209 0.005 483 HA ASN 75 HA ASN 75 4.686 7.342 0.686 484 HB2 ASN 75 1HB ASN 75 4.965 8.030 -2.246 485 HB3 ASN 75 2HB ASN 75 5.264 9.077 -0.866 486 HD21 ASN 75 2HD2 ASN 75 6.627 7.094 0.697 487 HD22 ASN 75 1HD2 ASN 75 8.176 6.856 -0.030 488 H CYS 76 H CYS 76 2.366 6.120 0.676 489 HA CYS 76 HA CYS 76 0.447 7.522 -0.992 490 HB2 CYS 76 2HB CYS 76 -0.086 5.476 1.165 491 HB3 CYS 76 1HB CYS 76 -1.186 5.988 -0.111 492 H SER 77 H SER 77 -0.976 9.010 -0.328 493 HA SER 77 HA SER 77 -0.508 10.273 2.241 494 HB2 SER 77 1HB SER 77 -2.414 11.040 0.018 495 HB3 SER 77 2HB SER 77 -1.952 12.045 1.392 496 HG SER 77 HG SER 77 -0.814 12.303 -0.751 497 HA PRO 78 HA PRO 78 -3.970 7.980 3.958 498 HB2 PRO 78 2HB PRO 78 -3.470 9.510 6.398 499 HB3 PRO 78 1HB PRO 78 -3.326 7.773 6.125 500 HG2 PRO 78 2HG PRO 78 -1.176 9.367 6.508 501 HG3 PRO 78 1HG PRO 78 -1.125 7.920 5.485 502 HD2 PRO 78 2HD PRO 78 -1.365 10.799 4.688 503 HD3 PRO 78 1HD PRO 78 -0.401 9.499 3.952 504 H LEU 79 H LEU 79 -5.945 8.535 3.524 505 HA LEU 79 HA LEU 79 -6.814 11.320 3.816 506 HB2 LEU 79 1HB LEU 79 -8.346 9.062 2.546 507 HB3 LEU 79 2HB LEU 79 -8.523 10.784 2.265 508 HG LEU 79 HG LEU 79 -6.102 9.175 1.453 509 HD11 LEU 79 1HD1 LEU 79 -6.950 9.309 -0.812 510 HD12 LEU 79 2HD1 LEU 79 -8.409 10.116 -0.235 511 HD13 LEU 79 3HD1 LEU 79 -8.078 8.447 0.231 512 HD21 LEU 79 3HD2 LEU 79 -6.967 11.992 0.823 513 HD22 LEU 79 1HD2 LEU 79 -5.619 11.153 0.054 514 HD23 LEU 79 2HD2 LEU 79 -5.570 11.493 1.784 515 H SER 80 H SER 80 -7.098 11.334 6.050 516 HA SER 80 HA SER 80 -8.552 9.350 7.484 517 HB2 SER 80 1HB SER 80 -8.046 12.215 8.319 518 HB3 SER 80 2HB SER 80 -8.292 10.815 9.363 519 HG SER 80 HG SER 80 -6.260 10.271 9.115 520 H VAL 81 H VAL 81 -9.337 12.470 6.050 521 HA VAL 81 HA VAL 81 -12.172 11.956 6.641 522 HB VAL 81 HB VAL 81 -12.532 14.408 6.324 523 HG11 VAL 81 1HG1 VAL 81 -12.384 13.480 8.553 524 HG12 VAL 81 2HG1 VAL 81 -11.592 15.055 8.515 525 HG13 VAL 81 3HG1 VAL 81 -10.623 13.580 8.509 526 HG21 VAL 81 3HG2 VAL 81 -10.506 14.878 5.002 527 HG22 VAL 81 1HG2 VAL 81 -9.519 14.562 6.428 528 HG23 VAL 81 2HG2 VAL 81 -10.636 15.926 6.413 529 H ILE 82 H ILE 82 -13.401 11.473 5.007 530 HA ILE 82 HA ILE 82 -12.423 11.394 2.342 531 HB ILE 82 HB ILE 82 -15.134 10.880 3.518 532 HG12 ILE 82 1HG1 ILE 82 -13.425 9.291 4.185 533 HG13 ILE 82 2HG1 ILE 82 -14.549 8.528 3.075 534 HG21 ILE 82 1HG2 ILE 82 -14.229 10.429 0.682 535 HG22 ILE 82 2HG2 ILE 82 -15.426 11.608 1.227 536 HG23 ILE 82 3HG2 ILE 82 -15.756 9.878 1.373 537 HD11 ILE 82 3HD1 ILE 82 -12.307 7.846 2.556 538 HD12 ILE 82 1HD1 ILE 82 -11.785 9.526 2.430 539 HD13 ILE 82 2HD1 ILE 82 -12.919 8.864 1.251 540 H GLY 83 H GLY 83 -14.861 13.356 3.997 541 HA2 GLY 83 1HA GLY 83 -15.609 14.822 1.678 542 HA3 GLY 83 2HA GLY 83 -15.963 15.258 3.341 543 H VAL 84 H VAL 84 -14.894 16.730 0.883 544 HA VAL 84 HA VAL 84 -13.465 18.423 0.411 545 HB VAL 84 HB VAL 84 -12.747 18.352 3.351 546 HG11 VAL 84 1HG1 VAL 84 -12.007 20.667 2.998 547 HG12 VAL 84 2HG1 VAL 84 -12.333 20.500 1.273 548 HG13 VAL 84 3HG1 VAL 84 -11.074 19.525 2.030 549 HG21 VAL 84 3HG2 VAL 84 -14.348 20.183 3.594 550 HG22 VAL 84 1HG2 VAL 84 -15.137 18.724 2.995 551 HG23 VAL 84 2HG2 VAL 84 -14.771 20.047 1.888 552 H GLY 85 H GLY 85 -12.082 17.369 -0.933 553 HA2 GLY 85 1HA GLY 85 -9.758 17.037 -1.408 554 HA3 GLY 85 2HA GLY 85 -9.527 16.531 0.260 555 H GLY 86 H GLY 86 -12.330 15.181 -0.899 556 HA2 GLY 86 1HA GLY 86 -11.118 12.564 -1.090 557 HA3 GLY 86 2HA GLY 86 -12.834 12.935 -1.209 558 H ASN 87 H ASN 87 -12.823 14.776 -3.261 559 HA ASN 87 HA ASN 87 -12.481 13.082 -5.551 560 HB2 ASN 87 1HB ASN 87 -14.371 14.528 -5.614 561 HB3 ASN 87 2HB ASN 87 -13.395 15.938 -5.219 562 HD21 ASN 87 2HD2 ASN 87 -14.171 13.601 -7.720 563 HD22 ASN 87 1HD2 ASN 87 -13.625 14.575 -9.047 564 H SER 88 H SER 88 -10.745 12.889 -6.752 565 HA SER 88 HA SER 88 -8.686 13.191 -7.635 566 HB2 SER 88 1HB SER 88 -9.766 15.153 -8.679 567 HB3 SER 88 2HB SER 88 -9.318 16.134 -7.287 568 HG SER 88 HG SER 88 -7.617 16.505 -8.485 569 H CYS 89 H CYS 89 -7.838 12.209 -5.677 570 HA CYS 89 HA CYS 89 -6.803 13.922 -3.611 571 HB2 CYS 89 2HB CYS 89 -5.903 11.846 -2.637 572 HB3 CYS 89 1HB CYS 89 -7.601 11.676 -3.051 573 H SER 90 H SER 90 -5.904 14.095 -6.472 574 HA SER 90 HA SER 90 -4.068 14.816 -7.554 575 HB2 SER 90 1HB SER 90 -3.435 15.951 -5.454 576 HB3 SER 90 2HB SER 90 -2.604 14.490 -4.925 577 HG SER 90 HG SER 90 -1.446 14.782 -7.071 578 H ALA 91 H ALA 91 -4.299 11.791 -6.107 579 HA ALA 91 HA ALA 91 -2.440 10.700 -8.076 580 HB1 ALA 91 3HB ALA 91 -1.337 9.272 -6.393 581 HB2 ALA 91 1HB ALA 91 -2.203 10.141 -5.126 582 HB3 ALA 91 2HB ALA 91 -1.032 10.990 -6.137 583 H GLN 92 H GLN 92 -2.466 8.065 -6.918 584 HA GLN 92 HA GLN 92 -5.084 7.271 -7.895 585 HB2 GLN 92 1HB GLN 92 -3.726 5.884 -9.015 586 HB3 GLN 92 2HB GLN 92 -2.370 6.238 -7.958 587 HG2 GLN 92 1HG GLN 92 -2.927 4.511 -6.495 588 HG3 GLN 92 2HG GLN 92 -4.516 4.291 -7.204 589 HE21 GLN 92 2HE2 GLN 92 -1.641 4.814 -9.097 590 HE22 GLN 92 1HE2 GLN 92 -1.558 3.221 -9.769 591 H THR 93 H THR 93 -6.660 6.764 -6.533 592 HA THR 93 HA THR 93 -6.067 6.524 -3.710 593 HB THR 93 HB THR 93 -8.869 6.311 -4.309 594 HG1 THR 93 1HG THR 93 -7.654 8.657 -5.373 595 HG21 THR 93 3HG2 THR 93 -7.881 7.182 -2.217 596 HG22 THR 93 1HG2 THR 93 -8.998 8.332 -2.954 597 HG23 THR 93 2HG2 THR 93 -7.255 8.575 -3.106 598 H VAL 94 H VAL 94 -5.889 4.660 -2.749 599 HA VAL 94 HA VAL 94 -7.558 2.410 -3.630 600 HB VAL 94 HB VAL 94 -5.670 0.867 -2.960 601 HG11 VAL 94 1HG1 VAL 94 -5.198 2.610 -5.374 602 HG12 VAL 94 2HG1 VAL 94 -6.296 1.234 -5.292 603 HG13 VAL 94 3HG1 VAL 94 -4.566 0.985 -5.116 604 HG21 VAL 94 3HG2 VAL 94 -4.050 3.393 -3.241 605 HG22 VAL 94 1HG2 VAL 94 -3.396 1.762 -3.070 606 HG23 VAL 94 2HG2 VAL 94 -4.317 2.486 -1.750 607 H CYS 95 H CYS 95 -7.765 0.733 -1.968 608 HA CYS 95 HA CYS 95 -7.722 1.896 0.737 609 HB2 CYS 95 2HB CYS 95 -9.986 1.407 -0.219 610 HB3 CYS 95 1HB CYS 95 -9.533 -0.290 -0.314 611 H CYS 96 H CYS 96 -6.140 1.061 1.925 612 HA CYS 96 HA CYS 96 -5.139 -1.622 1.262 613 HB2 CYS 96 2HB CYS 96 -3.710 0.551 2.800 614 HB3 CYS 96 1HB CYS 96 -3.009 -0.914 2.117 615 H THR 97 H THR 97 -4.679 -3.109 2.921 616 HA THR 97 HA THR 97 -6.690 -2.976 4.982 617 HB THR 97 HB THR 97 -6.262 -5.069 3.736 618 HG1 THR 97 1HG THR 97 -6.076 -4.929 6.539 619 HG21 THR 97 3HG2 THR 97 -3.820 -4.885 3.518 620 HG22 THR 97 1HG2 THR 97 -4.291 -6.428 4.230 621 HG23 THR 97 2HG2 THR 97 -3.648 -5.144 5.254 622 H ASN 98 H ASN 98 -3.284 -2.506 4.750 623 HA ASN 98 HA ASN 98 -3.214 -1.573 7.498 624 HB2 ASN 98 1HB ASN 98 -1.321 -3.700 6.461 625 HB3 ASN 98 2HB ASN 98 -1.031 -2.762 7.915 626 HD21 ASN 98 2HD2 ASN 98 -2.333 -3.120 9.730 627 HD22 ASN 98 1HD2 ASN 98 -3.245 -4.575 9.913 628 H THR 99 H THR 99 -1.380 -0.172 7.869 629 HA THR 99 HA THR 99 -0.107 0.720 5.375 630 HB THR 99 HB THR 99 -1.819 2.339 6.100 631 HG1 THR 99 1HG THR 99 -0.009 3.145 5.017 632 HG21 THR 99 3HG2 THR 99 -1.732 1.946 8.515 633 HG22 THR 99 1HG2 THR 99 -1.500 3.653 8.140 634 HG23 THR 99 2HG2 THR 99 -0.117 2.649 8.574 635 H TYR 100 H TYR 100 2.030 1.330 5.487 636 HA TYR 100 HA TYR 100 3.395 0.851 8.038 637 HB2 TYR 100 2HB TYR 100 3.862 -0.327 5.336 638 HB3 TYR 100 1HB TYR 100 5.241 -0.053 6.381 639 HD1 TYR 100 2HD TYR 100 5.372 -1.255 8.571 640 HD2 TYR 100 1HD TYR 100 2.342 -2.106 5.709 641 HE1 TYR 100 2HE TYR 100 4.890 -3.376 9.719 642 HE2 TYR 100 1HE TYR 100 1.849 -4.226 6.851 643 HH TYR 100 HH TYR 100 2.949 -4.946 9.943 644 H GLN 101 H GLN 101 5.093 2.206 8.490 645 HA GLN 101 HA GLN 101 6.561 3.935 8.323 646 HB2 GLN 101 1HB GLN 101 6.390 2.991 5.486 647 HB3 GLN 101 2HB GLN 101 7.344 4.410 5.891 648 HG2 GLN 101 1HG GLN 101 7.760 1.875 7.395 649 HG3 GLN 101 2HG GLN 101 8.454 2.079 5.787 650 HE21 GLN 101 2HE2 GLN 101 10.044 3.570 5.453 651 HE22 GLN 101 1HE2 GLN 101 10.882 4.359 6.729 652 H HIS 102 H HIS 102 3.718 4.477 8.287 653 HA HIS 102 HA HIS 102 2.340 6.263 8.233 654 HB2 HIS 102 1HB HIS 102 4.849 7.768 7.479 655 HB3 HIS 102 2HB HIS 102 3.312 8.531 7.870 656 HD1 HIS 102 HD1 HIS 102 2.736 8.802 10.314 657 HD2 HIS 102 HD2 HIS 102 6.133 6.496 9.699 658 HE1 HIS 102 HE1 HIS 102 3.751 8.476 12.591 659 HE2 HIS 102 HE2 HIS 102 5.663 6.878 12.211 660 H GLY 103 H GLY 103 3.632 4.960 5.514 661 HA2 GLY 103 1HA GLY 103 1.656 5.168 3.810 662 HA3 GLY 103 2HA GLY 103 2.279 6.805 3.691 663 H LEU 104 H LEU 104 5.056 5.603 4.172 664 HA LEU 104 HA LEU 104 5.998 5.587 1.590 665 HB2 LEU 104 1HB LEU 104 7.221 3.936 3.788 666 HB3 LEU 104 2HB LEU 104 8.032 4.616 2.396 667 HG LEU 104 HG LEU 104 7.003 6.079 4.821 668 HD11 LEU 104 1HD1 LEU 104 9.736 5.848 3.592 669 HD12 LEU 104 2HD1 LEU 104 9.172 5.003 5.033 670 HD13 LEU 104 3HD1 LEU 104 9.316 6.760 5.043 671 HD21 LEU 104 3HD2 LEU 104 6.431 7.426 2.908 672 HD22 LEU 104 1HD2 LEU 104 8.060 7.232 2.255 673 HD23 LEU 104 2HD2 LEU 104 7.813 8.127 3.754 674 H VAL 105 H VAL 105 4.913 2.819 3.507 675 HA VAL 105 HA VAL 105 4.528 1.336 0.986 676 HB VAL 105 HB VAL 105 5.033 -0.750 2.534 677 HG11 VAL 105 1HG1 VAL 105 7.220 0.937 1.319 678 HG12 VAL 105 2HG1 VAL 105 6.197 -0.206 0.448 679 HG13 VAL 105 3HG1 VAL 105 7.315 -0.786 1.682 680 HG21 VAL 105 3HG2 VAL 105 6.800 -0.385 4.109 681 HG22 VAL 105 1HG2 VAL 105 5.449 0.668 4.526 682 HG23 VAL 105 2HG2 VAL 105 6.864 1.333 3.708 683 H ASN 106 H ASN 106 2.736 0.022 0.949 684 HA ASN 106 HA ASN 106 1.053 -0.127 3.335 685 HB2 ASN 106 1HB ASN 106 0.163 0.969 0.657 686 HB3 ASN 106 2HB ASN 106 -0.957 0.445 1.913 687 HD21 ASN 106 2HD2 ASN 106 1.415 2.815 0.997 688 HD22 ASN 106 1HD2 ASN 106 1.005 3.977 2.204 689 H VAL 107 H VAL 107 -0.741 -1.727 3.008 690 HA VAL 107 HA VAL 107 0.026 -3.786 1.054 691 HB VAL 107 HB VAL 107 -0.450 -5.516 2.833 692 HG11 VAL 107 1HG1 VAL 107 1.817 -5.034 2.058 693 HG12 VAL 107 2HG1 VAL 107 1.804 -5.403 3.783 694 HG13 VAL 107 3HG1 VAL 107 1.950 -3.730 3.239 695 HG21 VAL 107 3HG2 VAL 107 -1.558 -4.090 4.447 696 HG22 VAL 107 1HG2 VAL 107 -0.081 -3.150 4.658 697 HG23 VAL 107 2HG2 VAL 107 -0.130 -4.838 5.163 698 H GLY 108 H GLY 108 -1.563 -5.212 0.423 699 HA2 GLY 108 1HA GLY 108 -3.679 -5.838 -0.173 700 HA3 GLY 108 2HA GLY 108 -4.145 -5.409 1.469 701 H CYS 109 H CYS 109 -3.066 -3.626 -1.420 702 HA CYS 109 HA CYS 109 -5.033 -1.566 -0.756 703 HB2 CYS 109 2HB CYS 109 -2.751 -1.561 -2.737 704 HB3 CYS 109 1HB CYS 109 -3.805 -0.199 -2.423 705 H THR 110 H THR 110 -6.866 -1.401 -1.784 706 HA THR 110 HA THR 110 -7.143 -2.643 -4.438 707 HB THR 110 HB THR 110 -9.611 -2.862 -3.762 708 HG1 THR 110 1HG THR 110 -8.427 -2.579 -1.175 709 HG21 THR 110 3HG2 THR 110 -9.217 -4.998 -2.633 710 HG22 THR 110 1HG2 THR 110 -7.547 -4.529 -2.319 711 HG23 THR 110 2HG2 THR 110 -8.095 -4.778 -3.976 712 HA PRO 111 HA PRO 111 -7.949 1.502 -5.941 713 HB2 PRO 111 2HB PRO 111 -9.535 -0.120 -7.873 714 HB3 PRO 111 1HB PRO 111 -8.378 1.182 -8.172 715 HG2 PRO 111 2HG PRO 111 -7.683 -1.361 -8.556 716 HG3 PRO 111 1HG PRO 111 -6.542 -0.194 -7.867 717 HD2 PRO 111 2HD PRO 111 -8.047 -2.382 -6.535 718 HD3 PRO 111 1HD PRO 111 -6.448 -1.716 -6.160 719 H ILE 112 H ILE 112 -9.308 2.704 -4.839 720 HA ILE 112 HA ILE 112 -12.112 1.836 -4.604 721 HB ILE 112 HB ILE 112 -11.025 1.800 -2.428 722 HG12 ILE 112 1HG1 ILE 112 -12.887 4.159 -2.774 723 HG13 ILE 112 2HG1 ILE 112 -13.347 2.496 -2.446 724 HG21 ILE 112 1HG2 ILE 112 -10.348 4.688 -2.950 725 HG22 ILE 112 2HG2 ILE 112 -9.209 3.345 -2.859 726 HG23 ILE 112 3HG2 ILE 112 -10.107 3.839 -1.424 727 HD11 ILE 112 3HD1 ILE 112 -11.793 4.276 -0.589 728 HD12 ILE 112 1HD1 ILE 112 -12.307 2.622 -0.256 729 HD13 ILE 112 2HD1 ILE 112 -13.511 3.896 -0.462 730 H ASN 113 H ASN 113 -13.673 3.226 -5.219 731 HA ASN 113 HA ASN 113 -12.859 5.962 -5.929 732 HB2 ASN 113 1HB ASN 113 -13.729 4.708 -7.851 733 HB3 ASN 113 2HB ASN 113 -15.205 4.348 -6.960 734 HD21 ASN 113 2HD2 ASN 113 -16.520 5.366 -8.454 735 HD22 ASN 113 1HD2 ASN 113 -16.564 7.087 -8.631 736 H ILE 114 H ILE 114 -13.513 7.471 -4.580 737 HA ILE 114 HA ILE 114 -15.309 6.895 -2.461 738 HB ILE 114 HB ILE 114 -15.100 9.518 -2.166 739 HG12 ILE 114 1HG1 ILE 114 -12.898 10.317 -2.927 740 HG13 ILE 114 2HG1 ILE 114 -12.652 8.817 -3.812 741 HG21 ILE 114 1HG2 ILE 114 -12.919 7.521 -1.603 742 HG22 ILE 114 2HG2 ILE 114 -14.318 7.877 -0.588 743 HG23 ILE 114 3HG2 ILE 114 -13.070 9.100 -0.835 744 HD11 ILE 114 3HD1 ILE 114 -14.745 10.900 -4.357 745 HD12 ILE 114 1HD1 ILE 114 -14.569 9.381 -5.232 746 HD13 ILE 114 2HD1 ILE 114 -13.288 10.594 -5.302 747 H GLY 115 H GLY 115 -15.860 7.903 -5.641 748 HA2 GLY 115 1HA GLY 115 -18.091 7.794 -6.479 749 HA3 GLY 115 2HA GLY 115 -18.670 8.320 -4.909 750 H LEU 116 H LEU 116 -16.230 10.329 -5.305 751 HA LEU 116 HA LEU 116 -17.914 12.345 -6.597 752 HB2 LEU 116 1HB LEU 116 -15.441 12.707 -4.906 753 HB3 LEU 116 2HB LEU 116 -16.389 14.004 -5.603 754 HG LEU 116 HG LEU 116 -18.343 12.951 -4.218 755 HD11 LEU 116 1HD1 LEU 116 -15.929 11.972 -2.696 756 HD12 LEU 116 2HD1 LEU 116 -17.132 10.963 -3.499 757 HD13 LEU 116 3HD1 LEU 116 -17.596 11.956 -2.119 758 HD21 LEU 116 3HD2 LEU 116 -17.497 15.178 -3.876 759 HD22 LEU 116 1HD2 LEU 116 -16.094 14.548 -3.012 760 HD23 LEU 116 2HD2 LEU 116 -17.704 14.384 -2.315 Start of MODEL 11 1 H1 LYS 10 1H LYS 10 -13.715 -19.484 -6.180 2 H2 LYS 10 2H LYS 10 -12.594 -20.608 -5.601 3 H3 LYS 10 3H LYS 10 -13.471 -19.660 -4.514 4 HA LYS 10 HA LYS 10 -14.605 -21.697 -6.337 5 HB2 LYS 10 1HB LYS 10 -14.218 -21.740 -3.337 6 HB3 LYS 10 2HB LYS 10 -15.070 -22.958 -4.266 7 HG2 LYS 10 1HG LYS 10 -13.044 -23.580 -5.402 8 HG3 LYS 10 2HG LYS 10 -12.163 -22.276 -4.610 9 HD2 LYS 10 1HD LYS 10 -11.626 -24.281 -3.453 10 HD3 LYS 10 2HD LYS 10 -12.710 -23.362 -2.415 11 HE2 LYS 10 1HE LYS 10 -13.728 -25.512 -4.248 12 HE3 LYS 10 2HE LYS 10 -13.092 -25.892 -2.652 13 HZ1 LYS 10 3HZ LYS 10 -15.417 -25.677 -2.439 14 HZ2 LYS 10 1HZ LYS 10 -15.457 -24.223 -3.300 15 HZ3 LYS 10 2HZ LYS 10 -14.762 -24.275 -1.763 16 H ALA 11 H ALA 11 -15.176 -18.729 -5.127 17 HA ALA 11 HA ALA 11 -18.026 -19.313 -4.688 18 HB1 ALA 11 3HB ALA 11 -16.922 -18.815 -2.551 19 HB2 ALA 11 1HB ALA 11 -18.120 -17.595 -2.981 20 HB3 ALA 11 2HB ALA 11 -16.403 -17.258 -3.194 21 H MET 12 H MET 12 -19.155 -18.458 -6.283 22 HA MET 12 HA MET 12 -18.490 -15.726 -7.139 23 HB2 MET 12 1HB MET 12 -17.818 -17.494 -8.836 24 HB3 MET 12 2HB MET 12 -19.529 -17.848 -9.018 25 HG2 MET 12 1HG MET 12 -19.941 -15.572 -9.766 26 HG3 MET 12 2HG MET 12 -18.239 -15.180 -9.542 27 HE1 MET 12 3HE MET 12 -18.617 -15.160 -13.431 28 HE2 MET 12 1HE MET 12 -18.074 -14.257 -12.018 29 HE3 MET 12 2HE MET 12 -19.788 -14.608 -12.234 30 H ALA 13 H ALA 13 -20.235 -16.345 -5.127 31 HA ALA 13 HA ALA 13 -22.933 -16.385 -6.204 32 HB1 ALA 13 3HB ALA 13 -23.639 -16.443 -3.866 33 HB2 ALA 13 1HB ALA 13 -21.970 -16.209 -3.350 34 HB3 ALA 13 2HB ALA 13 -22.432 -17.685 -4.194 35 H ASP 14 H ASP 14 -20.579 -14.127 -5.203 36 HA ASP 14 HA ASP 14 -22.396 -12.049 -4.423 37 HB2 ASP 14 1HB ASP 14 -20.083 -12.224 -3.527 38 HB3 ASP 14 2HB ASP 14 -19.463 -11.846 -5.130 39 H ILE 15 H ILE 15 -23.489 -10.774 -5.733 40 HA ILE 15 HA ILE 15 -22.552 -10.481 -8.506 41 HB ILE 15 HB ILE 15 -24.897 -10.098 -9.179 42 HG12 ILE 15 1HG1 ILE 15 -25.633 -9.474 -6.784 43 HG13 ILE 15 2HG1 ILE 15 -26.751 -10.398 -7.777 44 HG21 ILE 15 1HG2 ILE 15 -24.384 -12.748 -7.843 45 HG22 ILE 15 2HG2 ILE 15 -23.900 -12.279 -9.473 46 HG23 ILE 15 3HG2 ILE 15 -25.609 -12.439 -9.073 47 HD11 ILE 15 3HD1 ILE 15 -26.728 -11.227 -5.508 48 HD12 ILE 15 1HD1 ILE 15 -24.987 -11.492 -5.595 49 HD13 ILE 15 2HD1 ILE 15 -26.074 -12.443 -6.604 50 H GLY 16 H GLY 16 -22.534 -8.475 -9.423 51 HA2 GLY 16 1HA GLY 16 -22.327 -6.313 -7.517 52 HA3 GLY 16 2HA GLY 16 -21.912 -6.248 -9.222 53 H SER 17 H SER 17 -24.867 -7.523 -9.307 54 HA SER 17 HA SER 17 -26.100 -5.130 -10.178 55 HB2 SER 17 1HB SER 17 -28.185 -6.612 -10.198 56 HB3 SER 17 2HB SER 17 -26.829 -7.145 -11.195 57 HG SER 17 HG SER 17 -26.836 -8.910 -10.079 58 H THR 18 H THR 18 -26.053 -6.856 -7.156 59 HA THR 18 HA THR 18 -28.090 -5.102 -6.016 60 HB THR 18 HB THR 18 -27.711 -6.597 -3.970 61 HG1 THR 18 1HG THR 18 -26.702 -8.613 -4.478 62 HG21 THR 18 3HG2 THR 18 -29.087 -8.397 -4.892 63 HG22 THR 18 1HG2 THR 18 -28.694 -7.871 -6.528 64 HG23 THR 18 2HG2 THR 18 -29.640 -6.825 -5.470 65 H ALA 19 H ALA 19 -24.918 -4.824 -6.594 66 HA ALA 19 HA ALA 19 -23.874 -4.138 -4.029 67 HB1 ALA 19 3HB ALA 19 -22.828 -3.438 -6.770 68 HB2 ALA 19 1HB ALA 19 -22.417 -4.881 -5.844 69 HB3 ALA 19 2HB ALA 19 -21.941 -3.290 -5.254 70 H VAL 20 H VAL 20 -25.058 -2.640 -3.033 71 HA VAL 20 HA VAL 20 -26.221 -0.746 -2.604 72 HB VAL 20 HB VAL 20 -24.805 1.332 -2.726 73 HG11 VAL 20 1HG1 VAL 20 -23.232 0.529 -1.016 74 HG12 VAL 20 2HG1 VAL 20 -23.636 -1.134 -1.445 75 HG13 VAL 20 3HG1 VAL 20 -24.869 -0.076 -0.758 76 HG21 VAL 20 3HG2 VAL 20 -22.429 1.069 -3.251 77 HG22 VAL 20 1HG2 VAL 20 -23.434 0.761 -4.668 78 HG23 VAL 20 2HG2 VAL 20 -22.728 -0.587 -3.780 79 HA PRO 21 HA PRO 21 -27.607 0.269 -6.906 80 HB2 PRO 21 2HB PRO 21 -30.172 -0.515 -6.609 81 HB3 PRO 21 1HB PRO 21 -28.883 -1.649 -7.035 82 HG2 PRO 21 2HG PRO 21 -30.160 -1.142 -4.379 83 HG3 PRO 21 1HG PRO 21 -29.705 -2.684 -5.126 84 HD2 PRO 21 2HD PRO 21 -28.202 -1.426 -3.224 85 HD3 PRO 21 1HD PRO 21 -27.517 -2.498 -4.461 86 H ARG 22 H ARG 22 -28.330 1.190 -3.730 87 HA ARG 22 HA ARG 22 -30.033 3.415 -4.612 88 HB2 ARG 22 1HB ARG 22 -29.419 2.470 -1.806 89 HB3 ARG 22 2HB ARG 22 -30.566 3.724 -2.244 90 HG2 ARG 22 1HG ARG 22 -31.991 2.126 -3.325 91 HG3 ARG 22 2HG ARG 22 -30.796 0.848 -3.098 92 HD2 ARG 22 1HD ARG 22 -32.252 2.326 -0.905 93 HD3 ARG 22 2HD ARG 22 -32.594 0.684 -1.451 94 HE ARG 22 HE ARG 22 -29.895 1.226 -0.491 95 HH11 ARG 22 1HH1 ARG 22 -33.065 -0.091 0.186 96 HH12 ARG 22 2HH1 ARG 22 -32.516 -1.062 1.514 97 HH21 ARG 22 1HH2 ARG 22 -29.174 -0.041 1.272 98 HH22 ARG 22 2HH2 ARG 22 -30.312 -1.026 2.137 99 H ASP 23 H ASP 23 -29.322 5.509 -4.458 100 HA ASP 23 HA ASP 23 -26.494 5.805 -3.751 101 HB2 ASP 23 1HB ASP 23 -26.385 7.678 -5.183 102 HB3 ASP 23 2HB ASP 23 -27.341 6.485 -6.052 103 H VAL 24 H VAL 24 -29.480 6.280 -2.435 104 HA VAL 24 HA VAL 24 -28.361 8.227 -0.538 105 HB VAL 24 HB VAL 24 -30.620 9.114 -0.117 106 HG11 VAL 24 1HG1 VAL 24 -30.858 10.388 -2.213 107 HG12 VAL 24 2HG1 VAL 24 -29.715 9.291 -2.986 108 HG13 VAL 24 3HG1 VAL 24 -29.191 10.310 -1.647 109 HG21 VAL 24 3HG2 VAL 24 -31.914 7.157 -0.818 110 HG22 VAL 24 1HG2 VAL 24 -31.457 7.457 -2.493 111 HG23 VAL 24 2HG2 VAL 24 -32.461 8.623 -1.632 112 H ASN 25 H ASN 25 -29.161 8.027 1.641 113 HA ASN 25 HA ASN 25 -29.569 6.853 3.533 114 HB2 ASN 25 1HB ASN 25 -31.532 5.449 1.720 115 HB3 ASN 25 2HB ASN 25 -31.429 5.152 3.453 116 HD21 ASN 25 2HD2 ASN 25 -32.065 6.761 4.887 117 HD22 ASN 25 1HD2 ASN 25 -33.046 8.096 4.384 118 H GLY 26 H GLY 26 -27.319 6.122 2.184 119 HA2 GLY 26 1HA GLY 26 -27.059 3.345 3.068 120 HA3 GLY 26 2HA GLY 26 -26.579 3.730 1.419 121 H GLY 27 H GLY 27 -26.201 5.592 4.394 122 HA2 GLY 27 1HA GLY 27 -24.211 5.991 5.583 123 HA3 GLY 27 2HA GLY 27 -23.307 5.219 4.285 124 H THR 28 H THR 28 -21.975 6.642 3.401 125 HA THR 28 HA THR 28 -23.009 9.340 2.819 126 HB THR 28 HB THR 28 -20.100 8.757 3.376 127 HG1 THR 28 1HG THR 28 -21.218 8.175 5.252 128 HG21 THR 28 3HG2 THR 28 -20.022 11.147 3.905 129 HG22 THR 28 1HG2 THR 28 -21.749 11.284 3.579 130 HG23 THR 28 2HG2 THR 28 -20.633 10.890 2.271 131 HA PRO 29 HA PRO 29 -22.608 8.430 -1.472 132 HB2 PRO 29 2HB PRO 29 -21.301 11.117 -1.568 133 HB3 PRO 29 1HB PRO 29 -22.555 10.437 -2.608 134 HG2 PRO 29 2HG PRO 29 -23.156 12.151 -0.639 135 HG3 PRO 29 1HG PRO 29 -24.229 10.809 -1.069 136 HD2 PRO 29 2HD PRO 29 -22.525 11.164 1.316 137 HD3 PRO 29 1HD PRO 29 -23.977 10.172 1.104 138 HA PRO 30 HA PRO 30 -17.904 8.818 -2.222 139 HB2 PRO 30 2HB PRO 30 -16.539 9.765 0.140 140 HB3 PRO 30 1HB PRO 30 -16.612 10.513 -1.457 141 HG2 PRO 30 2HG PRO 30 -17.787 11.570 0.775 142 HG3 PRO 30 1HG PRO 30 -18.348 11.873 -0.876 143 HD2 PRO 30 2HD PRO 30 -19.408 9.969 1.165 144 HD3 PRO 30 1HD PRO 30 -20.292 11.012 0.033 145 H LYS 31 H LYS 31 -17.779 6.637 -2.178 146 HA LYS 31 HA LYS 31 -17.929 4.980 0.058 147 HB2 LYS 31 1HB LYS 31 -18.214 4.231 -2.274 148 HB3 LYS 31 2HB LYS 31 -16.496 4.460 -2.539 149 HG2 LYS 31 1HG LYS 31 -16.032 2.753 -0.815 150 HG3 LYS 31 2HG LYS 31 -17.770 2.482 -0.664 151 HD2 LYS 31 1HD LYS 31 -16.125 2.097 -3.164 152 HD3 LYS 31 2HD LYS 31 -16.746 0.815 -2.123 153 HE2 LYS 31 1HE LYS 31 -19.022 1.449 -2.642 154 HE3 LYS 31 2HE LYS 31 -18.452 2.819 -3.593 155 HZ1 LYS 31 3HZ LYS 31 -18.009 -0.046 -4.210 156 HZ2 LYS 31 1HZ LYS 31 -17.372 1.245 -5.100 157 HZ3 LYS 31 2HZ LYS 31 -19.046 1.004 -5.027 158 H SER 32 H SER 32 -16.392 3.991 1.353 159 HA SER 32 HA SER 32 -13.606 4.706 1.085 160 HB2 SER 32 1HB SER 32 -14.503 6.675 2.164 161 HB3 SER 32 2HB SER 32 -15.296 5.696 3.394 162 HG SER 32 HG SER 32 -13.506 6.053 4.448 163 H CYS 33 H CYS 33 -12.436 3.869 3.171 164 HA CYS 33 HA CYS 33 -13.069 1.073 3.364 165 HB2 CYS 33 2HB CYS 33 -10.982 2.649 4.891 166 HB3 CYS 33 1HB CYS 33 -11.021 0.907 4.650 167 H SER 34 H SER 34 -14.114 0.057 4.986 168 HA SER 34 HA SER 34 -15.597 1.668 6.825 169 HB2 SER 34 1HB SER 34 -16.494 -0.402 5.751 170 HB3 SER 34 2HB SER 34 -15.377 -1.350 6.729 171 HG SER 34 HG SER 34 -16.663 0.255 8.383 172 H SER 35 H SER 35 -12.525 0.308 6.901 173 HA SER 35 HA SER 35 -12.454 -0.036 9.786 174 HB2 SER 35 1HB SER 35 -10.217 -0.337 7.773 175 HB3 SER 35 2HB SER 35 -10.222 -0.908 9.443 176 HG SER 35 HG SER 35 -11.490 -2.540 8.906 177 H GLY 36 H GLY 36 -11.977 2.476 7.566 178 HA2 GLY 36 1HA GLY 36 -11.539 4.534 9.182 179 HA3 GLY 36 2HA GLY 36 -9.937 3.818 9.156 180 HA PRO 37 HA PRO 37 -9.937 7.178 5.941 181 HB2 PRO 37 2HB PRO 37 -7.062 6.556 6.316 182 HB3 PRO 37 1HB PRO 37 -7.873 8.119 6.218 183 HG2 PRO 37 2HG PRO 37 -7.008 7.087 8.547 184 HG3 PRO 37 1HG PRO 37 -8.445 8.120 8.434 185 HD2 PRO 37 2HD PRO 37 -8.242 5.213 8.918 186 HD3 PRO 37 1HD PRO 37 -9.538 6.348 9.337 187 H VAL 38 H VAL 38 -9.381 7.176 3.811 188 HA VAL 38 HA VAL 38 -8.768 4.636 2.535 189 HB VAL 38 HB VAL 38 -9.227 7.375 1.307 190 HG11 VAL 38 1HG1 VAL 38 -8.084 5.945 -0.250 191 HG12 VAL 38 2HG1 VAL 38 -9.770 6.093 -0.743 192 HG13 VAL 38 3HG1 VAL 38 -9.213 4.630 0.068 193 HG21 VAL 38 3HG2 VAL 38 -11.482 6.603 0.833 194 HG22 VAL 38 1HG2 VAL 38 -11.162 6.625 2.567 195 HG23 VAL 38 2HG2 VAL 38 -11.144 5.097 1.684 196 H TYR 39 H TYR 39 -7.011 4.909 0.639 197 HA TYR 39 HA TYR 39 -4.779 6.458 1.761 198 HB2 TYR 39 2HB TYR 39 -4.584 3.679 0.648 199 HB3 TYR 39 1HB TYR 39 -3.247 4.643 1.240 200 HD1 TYR 39 2HD TYR 39 -6.187 2.679 2.209 201 HD2 TYR 39 1HD TYR 39 -2.898 4.982 3.611 202 HE1 TYR 39 2HE TYR 39 -6.536 1.789 4.475 203 HE2 TYR 39 1HE TYR 39 -3.239 4.100 5.881 204 HH TYR 39 HH TYR 39 -5.030 3.117 7.224 205 H CYS 40 H CYS 40 -4.059 7.843 0.446 206 HA CYS 40 HA CYS 40 -4.439 7.665 -2.428 207 HB2 CYS 40 2HB CYS 40 -4.844 9.770 -1.107 208 HB3 CYS 40 1HB CYS 40 -3.116 9.844 -0.805 209 H CYS 41 H CYS 41 -2.962 6.257 -3.311 210 HA CYS 41 HA CYS 41 -0.157 6.529 -2.445 211 HB2 CYS 41 2HB CYS 41 -1.447 4.322 -4.074 212 HB3 CYS 41 1HB CYS 41 0.216 4.351 -3.500 213 H ASN 42 H ASN 42 1.255 7.408 -3.741 214 HA ASN 42 HA ASN 42 0.643 8.831 -6.031 215 HB2 ASN 42 1HB ASN 42 3.271 7.605 -5.189 216 HB3 ASN 42 2HB ASN 42 3.097 8.833 -6.443 217 HD21 ASN 42 2HD2 ASN 42 1.093 10.365 -5.099 218 HD22 ASN 42 1HD2 ASN 42 1.862 11.153 -3.768 219 H LYS 43 H LYS 43 1.495 5.512 -5.617 220 HA LYS 43 HA LYS 43 0.461 4.711 -8.120 221 HB2 LYS 43 1HB LYS 43 2.644 5.636 -8.857 222 HB3 LYS 43 2HB LYS 43 3.460 4.568 -7.733 223 HG2 LYS 43 1HG LYS 43 1.691 3.414 -9.837 224 HG3 LYS 43 2HG LYS 43 3.302 3.977 -10.268 225 HD2 LYS 43 1HD LYS 43 2.745 1.995 -8.066 226 HD3 LYS 43 2HD LYS 43 3.142 1.536 -9.720 227 HE2 LYS 43 1HE LYS 43 4.884 3.161 -7.868 228 HE3 LYS 43 2HE LYS 43 5.107 1.459 -8.265 229 HZ1 LYS 43 3HZ LYS 43 6.573 2.790 -9.590 230 HZ2 LYS 43 1HZ LYS 43 5.296 3.751 -10.142 231 HZ3 LYS 43 2HZ LYS 43 5.390 2.127 -10.603 232 H THR 44 H THR 44 -0.430 2.727 -7.604 233 HA THR 44 HA THR 44 0.683 1.332 -5.324 234 HB THR 44 HB THR 44 -1.094 -0.385 -5.827 235 HG1 THR 44 1HG THR 44 -2.623 1.369 -7.247 236 HG21 THR 44 3HG2 THR 44 -2.048 2.431 -5.323 237 HG22 THR 44 1HG2 THR 44 -1.226 1.415 -4.134 238 HG23 THR 44 2HG2 THR 44 -2.792 0.928 -4.774 239 H GLU 45 H GLU 45 1.583 -0.637 -5.288 240 HA GLU 45 HA GLU 45 2.772 -1.474 -7.858 241 HB2 GLU 45 1HB GLU 45 4.333 -0.395 -6.222 242 HB3 GLU 45 2HB GLU 45 3.981 -1.695 -5.092 243 HG2 GLU 45 1HG GLU 45 6.085 -2.068 -6.243 244 HG3 GLU 45 2HG GLU 45 4.908 -3.317 -6.637 245 H ASP 46 H ASP 46 2.875 -3.653 -8.305 246 HA ASP 46 HA ASP 46 0.809 -5.269 -7.272 247 HB2 ASP 46 1HB ASP 46 3.234 -5.958 -8.935 248 HB3 ASP 46 2HB ASP 46 1.986 -7.128 -8.523 249 H SER 47 H SER 47 0.766 -6.066 -5.261 250 HA SER 47 HA SER 47 3.075 -6.335 -3.645 251 HB2 SER 47 1HB SER 47 1.612 -7.263 -1.984 252 HB3 SER 47 2HB SER 47 0.730 -5.983 -2.809 253 HG SER 47 HG SER 47 -0.414 -7.523 -3.951 254 H LYS 48 H LYS 48 1.936 -8.282 -6.104 255 HA LYS 48 HA LYS 48 3.055 -10.735 -5.035 256 HB2 LYS 48 1HB LYS 48 1.907 -10.209 -7.778 257 HB3 LYS 48 2HB LYS 48 2.245 -11.779 -7.061 258 HG2 LYS 48 1HG LYS 48 0.245 -9.809 -5.995 259 HG3 LYS 48 2HG LYS 48 -0.143 -11.166 -7.051 260 HD2 LYS 48 1HD LYS 48 0.656 -12.726 -5.372 261 HD3 LYS 48 2HD LYS 48 1.148 -11.389 -4.333 262 HE2 LYS 48 1HE LYS 48 -0.976 -12.322 -3.592 263 HE3 LYS 48 2HE LYS 48 -1.185 -10.668 -4.161 264 HZ1 LYS 48 3HZ LYS 48 -2.949 -12.044 -4.993 265 HZ2 LYS 48 1HZ LYS 48 -1.852 -13.143 -5.663 266 HZ3 LYS 48 2HZ LYS 48 -1.972 -11.576 -6.287 267 H HIS 49 H HIS 49 3.924 -8.054 -7.001 268 HA HIS 49 HA HIS 49 6.501 -9.274 -7.642 269 HB2 HIS 49 1HB HIS 49 4.521 -8.172 -9.608 270 HB3 HIS 49 2HB HIS 49 6.240 -8.129 -9.949 271 HD1 HIS 49 HD1 HIS 49 7.281 -10.223 -10.860 272 HD2 HIS 49 HD2 HIS 49 3.447 -10.851 -9.378 273 HE1 HIS 49 HE1 HIS 49 6.681 -12.576 -11.509 274 HE2 HIS 49 HE2 HIS 49 4.295 -12.868 -10.756 275 H LEU 50 H LEU 50 6.475 -7.554 -5.674 276 HA LEU 50 HA LEU 50 6.601 -4.834 -6.280 277 HB2 LEU 50 1HB LEU 50 7.954 -6.465 -4.145 278 HB3 LEU 50 2HB LEU 50 8.026 -4.726 -4.217 279 HG LEU 50 HG LEU 50 6.370 -5.126 -2.662 280 HD11 LEU 50 1HD1 LEU 50 4.291 -4.422 -3.632 281 HD12 LEU 50 2HD1 LEU 50 4.868 -4.871 -5.233 282 HD13 LEU 50 3HD1 LEU 50 5.638 -3.547 -4.358 283 HD21 LEU 50 3HD2 LEU 50 6.245 -7.538 -3.068 284 HD22 LEU 50 1HD2 LEU 50 5.153 -7.213 -4.412 285 HD23 LEU 50 2HD2 LEU 50 4.683 -6.775 -2.766 286 H ASP 51 H ASP 51 8.328 -3.458 -6.632 287 HA ASP 51 HA ASP 51 10.567 -4.336 -8.124 288 HB2 ASP 51 1HB ASP 51 9.583 -1.977 -8.054 289 HB3 ASP 51 2HB ASP 51 10.383 -1.786 -6.508 290 H LYS 52 H LYS 52 12.811 -4.477 -7.400 291 HA LYS 52 HA LYS 52 13.179 -5.618 -4.884 292 HB2 LYS 52 1HB LYS 52 15.540 -5.434 -5.163 293 HB3 LYS 52 2HB LYS 52 14.838 -5.859 -6.718 294 HG2 LYS 52 1HG LYS 52 15.493 -3.019 -6.010 295 HG3 LYS 52 2HG LYS 52 16.710 -4.114 -6.661 296 HD2 LYS 52 1HD LYS 52 14.077 -3.566 -8.005 297 HD3 LYS 52 2HD LYS 52 15.547 -2.649 -8.346 298 HE2 LYS 52 1HE LYS 52 15.162 -5.619 -8.710 299 HE3 LYS 52 2HE LYS 52 15.222 -4.412 -9.991 300 HZ1 LYS 52 3HZ LYS 52 17.508 -3.900 -9.296 301 HZ2 LYS 52 1HZ LYS 52 17.333 -5.501 -9.813 302 HZ3 LYS 52 2HZ LYS 52 17.440 -5.155 -8.164 303 H GLY 53 H GLY 53 13.178 -2.295 -5.899 304 HA2 GLY 53 1HA GLY 53 14.309 -1.162 -3.563 305 HA3 GLY 53 2HA GLY 53 13.248 -0.341 -4.699 306 H THR 54 H THR 54 10.978 -1.992 -4.450 307 HA THR 54 HA THR 54 9.937 -0.976 -1.970 308 HB THR 54 HB THR 54 8.546 -2.835 -3.904 309 HG1 THR 54 1HG THR 54 8.788 0.004 -3.893 310 HG21 THR 54 3HG2 THR 54 7.505 -0.885 -1.842 311 HG22 THR 54 1HG2 THR 54 7.427 -2.647 -1.747 312 HG23 THR 54 2HG2 THR 54 6.502 -1.784 -2.982 313 H THR 55 H THR 55 10.609 -4.180 -3.322 314 HA THR 55 HA THR 55 9.895 -5.788 -1.184 315 HB THR 55 HB THR 55 12.307 -6.064 -2.996 316 HG1 THR 55 1HG THR 55 10.961 -6.858 -4.433 317 HG21 THR 55 3HG2 THR 55 12.530 -7.475 -1.033 318 HG22 THR 55 1HG2 THR 55 12.193 -8.458 -2.460 319 HG23 THR 55 2HG2 THR 55 10.911 -8.127 -1.294 320 H ALA 56 H ALA 56 12.729 -3.795 -1.701 321 HA ALA 56 HA ALA 56 14.306 -4.544 0.453 322 HB1 ALA 56 3HB ALA 56 15.077 -3.052 -1.291 323 HB2 ALA 56 1HB ALA 56 15.281 -2.296 0.289 324 HB3 ALA 56 2HB ALA 56 13.945 -1.809 -0.758 325 H LEU 57 H LEU 57 11.872 -1.908 0.371 326 HA LEU 57 HA LEU 57 12.165 -1.134 3.055 327 HB2 LEU 57 1HB LEU 57 9.654 -1.003 1.394 328 HB3 LEU 57 2HB LEU 57 9.920 -0.154 2.896 329 HG LEU 57 HG LEU 57 10.549 1.584 1.680 330 HD11 LEU 57 1HD1 LEU 57 12.849 -0.068 0.682 331 HD12 LEU 57 2HD1 LEU 57 12.795 0.692 2.275 332 HD13 LEU 57 3HD1 LEU 57 12.772 1.690 0.817 333 HD21 LEU 57 3HD2 LEU 57 9.369 0.372 -0.200 334 HD22 LEU 57 1HD2 LEU 57 10.971 -0.120 -0.743 335 HD23 LEU 57 2HD2 LEU 57 10.555 1.594 -0.673 336 H LEU 58 H LEU 58 9.952 -3.374 1.506 337 HA LEU 58 HA LEU 58 8.514 -4.159 3.775 338 HB2 LEU 58 1HB LEU 58 9.230 -5.896 1.421 339 HB3 LEU 58 2HB LEU 58 7.848 -6.078 2.484 340 HG LEU 58 HG LEU 58 8.272 -3.756 0.589 341 HD11 LEU 58 1HD1 LEU 58 7.832 -5.837 -0.598 342 HD12 LEU 58 2HD1 LEU 58 6.440 -4.755 -0.684 343 HD13 LEU 58 3HD1 LEU 58 6.423 -6.132 0.423 344 HD21 LEU 58 3HD2 LEU 58 6.980 -3.162 2.583 345 HD22 LEU 58 1HD2 LEU 58 5.888 -4.514 2.281 346 HD23 LEU 58 2HD2 LEU 58 5.975 -3.176 1.134 347 H GLY 59 H GLY 59 11.428 -5.503 2.284 348 HA2 GLY 59 1HA GLY 59 11.923 -7.544 4.108 349 HA3 GLY 59 2HA GLY 59 13.156 -6.697 3.185 350 H LEU 60 H LEU 60 12.765 -4.105 4.272 351 HA LEU 60 HA LEU 60 14.400 -4.139 6.538 352 HB2 LEU 60 1HB LEU 60 12.369 -2.012 5.821 353 HB3 LEU 60 2HB LEU 60 13.754 -1.808 6.880 354 HG LEU 60 HG LEU 60 13.743 -2.145 3.889 355 HD11 LEU 60 1HD1 LEU 60 13.407 0.108 4.723 356 HD12 LEU 60 2HD1 LEU 60 14.990 -0.045 3.961 357 HD13 LEU 60 3HD1 LEU 60 14.855 -0.027 5.719 358 HD21 LEU 60 3HD2 LEU 60 15.459 -3.606 4.814 359 HD22 LEU 60 1HD2 LEU 60 16.118 -2.259 5.740 360 HD23 LEU 60 2HD2 LEU 60 16.174 -2.226 3.977 361 H LEU 61 H LEU 61 10.936 -3.784 6.251 362 HA LEU 61 HA LEU 61 10.528 -3.717 9.114 363 HB2 LEU 61 1HB LEU 61 8.495 -3.853 6.893 364 HB3 LEU 61 2HB LEU 61 8.211 -3.356 8.552 365 HG LEU 61 HG LEU 61 10.207 -1.830 6.945 366 HD11 LEU 61 1HD1 LEU 61 8.424 -0.391 6.086 367 HD12 LEU 61 2HD1 LEU 61 7.224 -1.531 6.698 368 HD13 LEU 61 3HD1 LEU 61 8.344 -2.024 5.427 369 HD21 LEU 61 3HD2 LEU 61 9.318 0.029 8.278 370 HD22 LEU 61 1HD2 LEU 61 9.911 -1.292 9.289 371 HD23 LEU 61 2HD2 LEU 61 8.179 -1.084 9.042 372 H ASN 62 H ASN 62 11.080 -6.111 6.967 373 HA ASN 62 HA ASN 62 11.035 -8.365 7.082 374 HB2 ASN 62 1HB ASN 62 10.068 -7.813 9.878 375 HB3 ASN 62 2HB ASN 62 10.292 -9.445 9.261 376 HD21 ASN 62 2HD2 ASN 62 11.842 -6.544 10.338 377 HD22 ASN 62 1HD2 ASN 62 13.450 -7.181 10.380 378 H ILE 63 H ILE 63 8.900 -6.908 5.941 379 HA ILE 63 HA ILE 63 6.482 -8.383 6.523 380 HB ILE 63 HB ILE 63 7.126 -6.426 4.307 381 HG12 ILE 63 1HG1 ILE 63 5.405 -5.939 6.725 382 HG13 ILE 63 2HG1 ILE 63 7.145 -5.679 6.775 383 HG21 ILE 63 1HG2 ILE 63 5.299 -7.921 3.686 384 HG22 ILE 63 2HG2 ILE 63 4.708 -6.284 3.977 385 HG23 ILE 63 3HG2 ILE 63 4.464 -7.538 5.192 386 HD11 ILE 63 3HD1 ILE 63 5.263 -4.364 4.847 387 HD12 ILE 63 1HD1 ILE 63 6.990 -4.056 5.023 388 HD13 ILE 63 2HD1 ILE 63 5.883 -3.632 6.329 389 H LYS 64 H LYS 64 5.584 -9.928 5.224 390 HA LYS 64 HA LYS 64 7.497 -11.267 3.475 391 HB2 LYS 64 1HB LYS 64 5.735 -13.155 3.605 392 HB3 LYS 64 2HB LYS 64 6.750 -12.848 5.004 393 HG2 LYS 64 1HG LYS 64 4.098 -11.508 4.843 394 HG3 LYS 64 2HG LYS 64 4.163 -13.225 5.242 395 HD2 LYS 64 1HD LYS 64 5.698 -12.708 7.094 396 HD3 LYS 64 2HD LYS 64 5.579 -10.996 6.704 397 HE2 LYS 64 1HE LYS 64 3.147 -11.108 7.111 398 HE3 LYS 64 2HE LYS 64 3.331 -12.796 7.585 399 HZ1 LYS 64 3HZ LYS 64 3.274 -11.348 9.509 400 HZ2 LYS 64 1HZ LYS 64 4.600 -10.472 8.928 401 HZ3 LYS 64 2HZ LYS 64 4.788 -12.091 9.379 402 H ILE 65 H ILE 65 7.354 -11.032 1.417 403 HA ILE 65 HA ILE 65 5.274 -9.563 0.173 404 HB ILE 65 HB ILE 65 7.687 -11.016 -0.896 405 HG12 ILE 65 1HG1 ILE 65 8.381 -8.719 -1.546 406 HG13 ILE 65 2HG1 ILE 65 6.917 -8.094 -0.804 407 HG21 ILE 65 1HG2 ILE 65 7.218 -10.147 -3.109 408 HG22 ILE 65 2HG2 ILE 65 5.714 -9.442 -2.525 409 HG23 ILE 65 3HG2 ILE 65 5.903 -11.194 -2.573 410 HD11 ILE 65 3HD1 ILE 65 9.161 -9.506 0.625 411 HD12 ILE 65 1HD1 ILE 65 7.699 -8.869 1.380 412 HD13 ILE 65 2HD1 ILE 65 8.859 -7.770 0.627 413 H GLY 66 H GLY 66 5.960 -12.950 0.571 414 HA2 GLY 66 1HA GLY 66 4.201 -13.863 -1.499 415 HA3 GLY 66 2HA GLY 66 4.940 -14.849 -0.249 416 H ASP 67 H ASP 67 3.579 -12.549 1.525 417 HA ASP 67 HA ASP 67 1.069 -14.069 1.789 418 HB2 ASP 67 1HB ASP 67 2.612 -14.175 3.735 419 HB3 ASP 67 2HB ASP 67 2.500 -12.428 3.890 420 H LEU 68 H LEU 68 2.133 -11.349 0.436 421 HA LEU 68 HA LEU 68 0.341 -9.417 1.520 422 HB2 LEU 68 1HB LEU 68 1.900 -9.450 -1.057 423 HB3 LEU 68 2HB LEU 68 0.978 -8.079 -0.467 424 HG LEU 68 HG LEU 68 3.332 -9.322 0.957 425 HD11 LEU 68 1HD1 LEU 68 3.122 -6.724 -0.557 426 HD12 LEU 68 2HD1 LEU 68 3.992 -8.163 -1.088 427 HD13 LEU 68 3HD1 LEU 68 4.523 -7.291 0.350 428 HD21 LEU 68 3HD2 LEU 68 1.799 -8.379 2.539 429 HD22 LEU 68 1HD2 LEU 68 1.629 -6.914 1.571 430 HD23 LEU 68 2HD2 LEU 68 3.164 -7.276 2.363 431 H LYS 69 H LYS 69 -1.350 -8.352 0.282 432 HA LYS 69 HA LYS 69 -3.117 -10.460 -0.653 433 HB2 LYS 69 1HB LYS 69 -3.722 -7.643 0.208 434 HB3 LYS 69 2HB LYS 69 -4.918 -8.865 -0.180 435 HG2 LYS 69 1HG LYS 69 -4.113 -10.238 1.681 436 HG3 LYS 69 2HG LYS 69 -2.932 -8.988 2.076 437 HD2 LYS 69 1HD LYS 69 -4.740 -7.402 2.495 438 HD3 LYS 69 2HD LYS 69 -5.931 -8.638 2.078 439 HE2 LYS 69 1HE LYS 69 -5.060 -10.029 3.937 440 HE3 LYS 69 2HE LYS 69 -3.992 -8.701 4.388 441 HZ1 LYS 69 3HZ LYS 69 -6.048 -8.777 5.704 442 HZ2 LYS 69 1HZ LYS 69 -6.957 -8.527 4.299 443 HZ3 LYS 69 2HZ LYS 69 -5.895 -7.325 4.853 444 H ASP 70 H ASP 70 -3.260 -7.022 -1.531 445 HA ASP 70 HA ASP 70 -3.656 -7.897 -4.313 446 HB2 ASP 70 1HB ASP 70 -4.929 -5.737 -2.685 447 HB3 ASP 70 2HB ASP 70 -4.834 -5.551 -4.429 448 H LEU 71 H LEU 71 -3.245 -4.571 -3.315 449 HA LEU 71 HA LEU 71 -0.667 -4.518 -4.747 450 HB2 LEU 71 1HB LEU 71 -2.738 -2.372 -4.343 451 HB3 LEU 71 2HB LEU 71 -1.113 -2.029 -4.886 452 HG LEU 71 HG LEU 71 -2.150 -2.067 -6.882 453 HD11 LEU 71 1HD1 LEU 71 -1.687 -5.007 -6.474 454 HD12 LEU 71 2HD1 LEU 71 -0.505 -3.817 -7.021 455 HD13 LEU 71 3HD1 LEU 71 -1.898 -4.206 -8.029 456 HD21 LEU 71 3HD2 LEU 71 -4.056 -4.204 -5.962 457 HD22 LEU 71 1HD2 LEU 71 -4.164 -3.242 -7.436 458 HD23 LEU 71 2HD2 LEU 71 -4.368 -2.469 -5.859 459 H VAL 72 H VAL 72 0.835 -2.852 -4.006 460 HA VAL 72 HA VAL 72 0.467 -2.083 -1.186 461 HB VAL 72 HB VAL 72 2.600 -2.514 -0.598 462 HG11 VAL 72 1HG1 VAL 72 3.630 -4.444 -1.766 463 HG12 VAL 72 2HG1 VAL 72 2.398 -4.277 -3.018 464 HG13 VAL 72 3HG1 VAL 72 1.926 -4.655 -1.363 465 HG21 VAL 72 3HG2 VAL 72 3.806 -0.919 -1.730 466 HG22 VAL 72 1HG2 VAL 72 3.365 -1.566 -3.316 467 HG23 VAL 72 2HG2 VAL 72 4.536 -2.420 -2.315 468 H GLY 73 H GLY 73 1.760 0.052 -0.787 469 HA2 GLY 73 1HA GLY 73 1.686 1.688 -3.219 470 HA3 GLY 73 2HA GLY 73 0.736 2.189 -1.838 471 H LEU 74 H LEU 74 3.433 2.958 -3.404 472 HA LEU 74 HA LEU 74 5.058 3.293 -1.014 473 HB2 LEU 74 1HB LEU 74 6.882 3.955 -2.385 474 HB3 LEU 74 2HB LEU 74 6.168 2.530 -3.090 475 HG LEU 74 HG LEU 74 6.810 3.889 -4.886 476 HD11 LEU 74 1HD1 LEU 74 3.868 4.340 -4.484 477 HD12 LEU 74 2HD1 LEU 74 4.635 2.941 -5.243 478 HD13 LEU 74 3HD1 LEU 74 4.743 4.529 -6.004 479 HD21 LEU 74 3HD2 LEU 74 5.446 6.228 -3.570 480 HD22 LEU 74 1HD2 LEU 74 6.228 6.239 -5.151 481 HD23 LEU 74 2HD2 LEU 74 7.183 5.965 -3.694 482 H ASN 75 H ASN 75 5.443 5.117 -0.001 483 HA ASN 75 HA ASN 75 4.961 7.151 0.887 484 HB2 ASN 75 1HB ASN 75 5.048 8.088 -1.986 485 HB3 ASN 75 2HB ASN 75 5.299 9.057 -0.540 486 HD21 ASN 75 2HD2 ASN 75 6.914 7.161 0.847 487 HD22 ASN 75 1HD2 ASN 75 8.447 7.129 0.046 488 H CYS 76 H CYS 76 2.752 5.754 0.836 489 HA CYS 76 HA CYS 76 0.643 7.105 -0.622 490 HB2 CYS 76 2HB CYS 76 0.890 4.574 -0.252 491 HB3 CYS 76 1HB CYS 76 0.289 4.876 1.370 492 H SER 77 H SER 77 -1.006 8.226 0.285 493 HA SER 77 HA SER 77 -0.508 9.195 3.027 494 HB2 SER 77 1HB SER 77 -1.798 10.674 0.722 495 HB3 SER 77 2HB SER 77 -1.457 11.332 2.321 496 HG SER 77 HG SER 77 0.311 10.689 0.236 497 HA PRO 78 HA PRO 78 -4.578 7.378 3.805 498 HB2 PRO 78 2HB PRO 78 -4.145 8.569 6.467 499 HB3 PRO 78 1HB PRO 78 -4.460 6.888 6.028 500 HG2 PRO 78 2HG PRO 78 -2.044 7.687 6.872 501 HG3 PRO 78 1HG PRO 78 -2.230 6.433 5.631 502 HD2 PRO 78 2HD PRO 78 -1.526 9.326 5.312 503 HD3 PRO 78 1HD PRO 78 -0.864 7.905 4.478 504 H LEU 79 H LEU 79 -6.449 8.338 3.366 505 HA LEU 79 HA LEU 79 -6.734 11.219 3.845 506 HB2 LEU 79 1HB LEU 79 -8.596 9.427 2.287 507 HB3 LEU 79 2HB LEU 79 -8.577 11.174 2.300 508 HG LEU 79 HG LEU 79 -7.660 10.636 0.241 509 HD11 LEU 79 1HD1 LEU 79 -6.249 12.221 1.456 510 HD12 LEU 79 2HD1 LEU 79 -5.357 11.269 0.271 511 HD13 LEU 79 3HD1 LEU 79 -5.239 10.875 1.988 512 HD21 LEU 79 3HD2 LEU 79 -6.215 8.875 -0.262 513 HD22 LEU 79 1HD2 LEU 79 -7.470 8.219 0.782 514 HD23 LEU 79 2HD2 LEU 79 -5.872 8.572 1.441 515 H SER 80 H SER 80 -7.198 11.144 6.084 516 HA SER 80 HA SER 80 -9.483 9.576 6.973 517 HB2 SER 80 1HB SER 80 -7.435 9.905 8.390 518 HB3 SER 80 2HB SER 80 -7.861 11.603 8.527 519 HG SER 80 HG SER 80 -8.995 10.964 10.168 520 H VAL 81 H VAL 81 -9.115 12.361 5.320 521 HA VAL 81 HA VAL 81 -11.015 14.020 6.726 522 HB VAL 81 HB VAL 81 -9.934 14.558 3.992 523 HG11 VAL 81 1HG1 VAL 81 -10.722 16.401 6.247 524 HG12 VAL 81 2HG1 VAL 81 -11.674 16.068 4.801 525 HG13 VAL 81 3HG1 VAL 81 -10.130 16.909 4.665 526 HG21 VAL 81 3HG2 VAL 81 -8.000 13.985 5.301 527 HG22 VAL 81 1HG2 VAL 81 -8.529 15.041 6.611 528 HG23 VAL 81 2HG2 VAL 81 -8.029 15.733 5.068 529 H ILE 82 H ILE 82 -11.635 11.418 5.396 530 HA ILE 82 HA ILE 82 -13.417 11.888 3.251 531 HB ILE 82 HB ILE 82 -13.312 9.578 5.175 532 HG12 ILE 82 1HG1 ILE 82 -11.257 9.851 3.890 533 HG13 ILE 82 2HG1 ILE 82 -12.138 8.436 3.343 534 HG21 ILE 82 1HG2 ILE 82 -15.506 9.737 4.120 535 HG22 ILE 82 2HG2 ILE 82 -14.612 8.345 3.511 536 HG23 ILE 82 3HG2 ILE 82 -14.744 9.804 2.530 537 HD11 ILE 82 3HD1 ILE 82 -12.039 11.106 1.971 538 HD12 ILE 82 1HD1 ILE 82 -12.984 9.720 1.431 539 HD13 ILE 82 2HD1 ILE 82 -11.223 9.629 1.461 540 H GLY 83 H GLY 83 -15.491 12.488 3.224 541 HA2 GLY 83 1HA GLY 83 -17.532 12.020 4.933 542 HA3 GLY 83 2HA GLY 83 -16.712 13.386 5.682 543 H VAL 84 H VAL 84 -16.356 15.296 4.303 544 HA VAL 84 HA VAL 84 -18.693 15.853 2.682 545 HB VAL 84 HB VAL 84 -16.350 17.706 3.104 546 HG11 VAL 84 1HG1 VAL 84 -19.279 18.213 2.590 547 HG12 VAL 84 2HG1 VAL 84 -17.974 18.381 1.418 548 HG13 VAL 84 3HG1 VAL 84 -18.045 19.451 2.817 549 HG21 VAL 84 3HG2 VAL 84 -17.050 16.907 5.295 550 HG22 VAL 84 1HG2 VAL 84 -18.721 17.333 4.928 551 HG23 VAL 84 2HG2 VAL 84 -17.500 18.596 5.069 552 H GLY 85 H GLY 85 -17.756 13.981 1.315 553 HA2 GLY 85 1HA GLY 85 -17.277 13.743 -1.005 554 HA3 GLY 85 2HA GLY 85 -16.284 15.190 -0.912 555 H GLY 86 H GLY 86 -15.211 13.084 -2.174 556 HA2 GLY 86 1HA GLY 86 -13.362 11.922 -0.185 557 HA3 GLY 86 2HA GLY 86 -13.801 11.142 -1.697 558 H ASN 87 H ASN 87 -13.391 14.479 -2.041 559 HA ASN 87 HA ASN 87 -11.030 14.064 -3.643 560 HB2 ASN 87 1HB ASN 87 -12.904 15.625 -4.283 561 HB3 ASN 87 2HB ASN 87 -12.374 16.695 -2.990 562 HD21 ASN 87 2HD2 ASN 87 -11.853 18.365 -4.371 563 HD22 ASN 87 1HD2 ASN 87 -10.491 18.309 -5.435 564 H SER 88 H SER 88 -10.160 13.311 -1.360 565 HA SER 88 HA SER 88 -8.697 15.571 -0.159 566 HB2 SER 88 1HB SER 88 -10.076 14.143 1.377 567 HB3 SER 88 2HB SER 88 -9.081 12.762 0.929 568 HG SER 88 HG SER 88 -8.031 15.145 2.059 569 H CYS 89 H CYS 89 -8.424 13.470 -2.545 570 HA CYS 89 HA CYS 89 -5.526 13.186 -2.272 571 HB2 CYS 89 2HB CYS 89 -6.169 11.025 -1.652 572 HB3 CYS 89 1HB CYS 89 -7.532 11.004 -2.751 573 H SER 90 H SER 90 -4.411 13.456 -4.158 574 HA SER 90 HA SER 90 -6.016 13.949 -6.575 575 HB2 SER 90 1HB SER 90 -3.306 15.068 -5.821 576 HB3 SER 90 2HB SER 90 -4.186 15.428 -7.307 577 HG SER 90 HG SER 90 -5.896 16.237 -5.930 578 H ALA 91 H ALA 91 -3.579 12.019 -5.155 579 HA ALA 91 HA ALA 91 -2.572 10.988 -7.673 580 HB1 ALA 91 3HB ALA 91 -2.037 10.032 -4.857 581 HB2 ALA 91 1HB ALA 91 -1.065 11.211 -5.735 582 HB3 ALA 91 2HB ALA 91 -1.164 9.549 -6.310 583 H GLN 92 H GLN 92 -2.391 8.205 -6.744 584 HA GLN 92 HA GLN 92 -4.995 7.420 -7.686 585 HB2 GLN 92 1HB GLN 92 -3.657 5.934 -8.699 586 HB3 GLN 92 2HB GLN 92 -2.320 6.295 -7.616 587 HG2 GLN 92 1HG GLN 92 -2.935 4.664 -6.113 588 HG3 GLN 92 2HG GLN 92 -4.573 4.548 -6.740 589 HE21 GLN 92 2HE2 GLN 92 -1.714 4.658 -8.740 590 HE22 GLN 92 1HE2 GLN 92 -1.849 3.041 -9.343 591 H THR 93 H THR 93 -6.556 6.386 -6.510 592 HA THR 93 HA THR 93 -6.102 6.506 -3.609 593 HB THR 93 HB THR 93 -8.863 6.607 -4.730 594 HG1 THR 93 1HG THR 93 -6.834 8.421 -5.252 595 HG21 THR 93 3HG2 THR 93 -8.445 6.621 -2.301 596 HG22 THR 93 1HG2 THR 93 -9.182 8.131 -2.840 597 HG23 THR 93 2HG2 THR 93 -7.454 8.069 -2.486 598 H VAL 94 H VAL 94 -6.043 4.637 -2.625 599 HA VAL 94 HA VAL 94 -7.720 2.426 -3.605 600 HB VAL 94 HB VAL 94 -5.840 0.875 -2.904 601 HG11 VAL 94 1HG1 VAL 94 -4.578 1.188 -5.021 602 HG12 VAL 94 2HG1 VAL 94 -5.449 2.700 -5.271 603 HG13 VAL 94 3HG1 VAL 94 -6.322 1.170 -5.231 604 HG21 VAL 94 3HG2 VAL 94 -4.269 3.444 -3.023 605 HG22 VAL 94 1HG2 VAL 94 -3.569 1.829 -2.941 606 HG23 VAL 94 2HG2 VAL 94 -4.538 2.439 -1.601 607 H CYS 95 H CYS 95 -7.979 0.711 -1.980 608 HA CYS 95 HA CYS 95 -8.005 1.809 0.755 609 HB2 CYS 95 2HB CYS 95 -10.241 1.232 -0.249 610 HB3 CYS 95 1HB CYS 95 -9.706 -0.442 -0.354 611 H CYS 96 H CYS 96 -6.637 0.863 2.156 612 HA CYS 96 HA CYS 96 -5.340 -1.623 1.263 613 HB2 CYS 96 2HB CYS 96 -4.037 0.645 2.776 614 HB3 CYS 96 1HB CYS 96 -3.240 -0.764 2.075 615 H THR 97 H THR 97 -4.501 -3.011 2.889 616 HA THR 97 HA THR 97 -6.458 -3.276 4.989 617 HB THR 97 HB THR 97 -5.641 -5.209 3.602 618 HG1 THR 97 1HG THR 97 -5.926 -5.122 6.330 619 HG21 THR 97 3HG2 THR 97 -3.527 -6.271 4.175 620 HG22 THR 97 1HG2 THR 97 -3.162 -4.970 5.308 621 HG23 THR 97 2HG2 THR 97 -3.249 -4.634 3.579 622 H ASN 98 H ASN 98 -3.157 -2.278 4.679 623 HA ASN 98 HA ASN 98 -3.120 -1.382 7.427 624 HB2 ASN 98 1HB ASN 98 -1.230 -3.513 6.430 625 HB3 ASN 98 2HB ASN 98 -0.774 -2.426 7.733 626 HD21 ASN 98 2HD2 ASN 98 -1.803 -2.598 9.720 627 HD22 ASN 98 1HD2 ASN 98 -2.731 -3.991 10.155 628 H THR 99 H THR 99 -1.213 -0.022 7.859 629 HA THR 99 HA THR 99 0.080 0.949 5.408 630 HB THR 99 HB THR 99 -1.495 2.648 5.912 631 HG1 THR 99 1HG THR 99 0.464 3.556 5.407 632 HG21 THR 99 3HG2 THR 99 -2.092 2.062 8.183 633 HG22 THR 99 1HG2 THR 99 -1.621 3.759 8.121 634 HG23 THR 99 2HG2 THR 99 -0.503 2.557 8.762 635 H TYR 100 H TYR 100 2.211 1.102 5.496 636 HA TYR 100 HA TYR 100 3.511 0.726 8.102 637 HB2 TYR 100 2HB TYR 100 4.022 -0.481 5.410 638 HB3 TYR 100 1HB TYR 100 5.327 -0.362 6.573 639 HD1 TYR 100 2HD TYR 100 5.028 -1.512 8.823 640 HD2 TYR 100 1HD TYR 100 2.415 -2.188 5.534 641 HE1 TYR 100 2HE TYR 100 4.247 -3.590 9.876 642 HE2 TYR 100 1HE TYR 100 1.632 -4.270 6.581 643 HH TYR 100 HH TYR 100 2.424 -5.919 8.214 644 H GLN 101 H GLN 101 5.261 1.979 8.579 645 HA GLN 101 HA GLN 101 6.811 3.641 8.455 646 HB2 GLN 101 1HB GLN 101 6.680 2.712 5.615 647 HB3 GLN 101 2HB GLN 101 7.648 4.115 6.030 648 HG2 GLN 101 1HG GLN 101 7.964 1.486 7.429 649 HG3 GLN 101 2HG GLN 101 8.816 1.876 5.939 650 HE21 GLN 101 2HE2 GLN 101 9.006 4.706 6.696 651 HE22 GLN 101 1HE2 GLN 101 10.279 4.791 7.845 652 H HIS 102 H HIS 102 4.013 4.322 8.387 653 HA HIS 102 HA HIS 102 2.669 6.131 8.224 654 HB2 HIS 102 1HB HIS 102 5.326 7.456 7.789 655 HB3 HIS 102 2HB HIS 102 3.832 8.377 7.660 656 HD1 HIS 102 HD1 HIS 102 2.335 8.458 9.880 657 HD2 HIS 102 HD2 HIS 102 6.219 7.051 10.342 658 HE1 HIS 102 HE1 HIS 102 2.806 8.565 12.346 659 HE2 HIS 102 HE2 HIS 102 5.216 7.878 12.579 660 H GLY 103 H GLY 103 3.920 4.672 5.637 661 HA2 GLY 103 1HA GLY 103 2.056 4.916 3.864 662 HA3 GLY 103 2HA GLY 103 2.697 6.544 3.734 663 H LEU 104 H LEU 104 5.488 5.352 4.236 664 HA LEU 104 HA LEU 104 6.399 5.342 1.639 665 HB2 LEU 104 1HB LEU 104 7.642 3.625 3.780 666 HB3 LEU 104 2HB LEU 104 8.436 4.345 2.396 667 HG LEU 104 HG LEU 104 7.506 5.693 4.914 668 HD11 LEU 104 1HD1 LEU 104 10.159 5.679 3.500 669 HD12 LEU 104 2HD1 LEU 104 9.728 4.618 4.839 670 HD13 LEU 104 3HD1 LEU 104 9.802 6.364 5.084 671 HD21 LEU 104 3HD2 LEU 104 8.382 7.028 2.362 672 HD22 LEU 104 1HD2 LEU 104 8.154 7.820 3.921 673 HD23 LEU 104 2HD2 LEU 104 6.773 7.104 3.085 674 H VAL 105 H VAL 105 5.353 2.589 3.578 675 HA VAL 105 HA VAL 105 4.939 1.081 1.074 676 HB VAL 105 HB VAL 105 5.284 -0.981 2.690 677 HG11 VAL 105 1HG1 VAL 105 7.601 -1.116 1.938 678 HG12 VAL 105 2HG1 VAL 105 7.572 0.598 1.528 679 HG13 VAL 105 3HG1 VAL 105 6.545 -0.537 0.649 680 HG21 VAL 105 3HG2 VAL 105 7.139 1.059 3.906 681 HG22 VAL 105 1HG2 VAL 105 7.026 -0.650 4.321 682 HG23 VAL 105 2HG2 VAL 105 5.684 0.435 4.682 683 H ASN 106 H ASN 106 2.900 0.750 0.805 684 HA ASN 106 HA ASN 106 1.130 0.460 3.145 685 HB2 ASN 106 1HB ASN 106 0.993 2.235 1.004 686 HB3 ASN 106 2HB ASN 106 -0.178 0.988 0.582 687 HD21 ASN 106 2HD2 ASN 106 -1.870 2.441 0.856 688 HD22 ASN 106 1HD2 ASN 106 -2.400 2.940 2.422 689 H VAL 107 H VAL 107 -0.554 -1.241 2.949 690 HA VAL 107 HA VAL 107 0.128 -3.238 0.899 691 HB VAL 107 HB VAL 107 -0.115 -5.039 2.644 692 HG11 VAL 107 1HG1 VAL 107 2.231 -3.154 2.888 693 HG12 VAL 107 2HG1 VAL 107 2.051 -4.441 1.697 694 HG13 VAL 107 3HG1 VAL 107 2.213 -4.839 3.407 695 HG21 VAL 107 3HG2 VAL 107 0.317 -2.726 4.525 696 HG22 VAL 107 1HG2 VAL 107 0.347 -4.435 4.962 697 HG23 VAL 107 2HG2 VAL 107 -1.148 -3.697 4.389 698 H GLY 108 H GLY 108 -1.420 -4.753 0.381 699 HA2 GLY 108 1HA GLY 108 -3.512 -5.646 0.104 700 HA3 GLY 108 2HA GLY 108 -3.903 -5.053 1.710 701 H CYS 109 H CYS 109 -3.062 -3.473 -1.350 702 HA CYS 109 HA CYS 109 -5.155 -1.516 -0.785 703 HB2 CYS 109 2HB CYS 109 -2.819 -1.459 -2.695 704 HB3 CYS 109 1HB CYS 109 -3.983 -0.156 -2.510 705 H THR 110 H THR 110 -6.985 -1.510 -1.844 706 HA THR 110 HA THR 110 -7.102 -2.729 -4.523 707 HB THR 110 HB THR 110 -9.575 -3.033 -4.000 708 HG1 THR 110 1HG THR 110 -10.246 -2.322 -2.134 709 HG21 THR 110 3HG2 THR 110 -8.024 -4.916 -4.005 710 HG22 THR 110 1HG2 THR 110 -9.221 -5.097 -2.723 711 HG23 THR 110 2HG2 THR 110 -7.582 -4.572 -2.333 712 HA PRO 111 HA PRO 111 -7.945 1.441 -5.986 713 HB2 PRO 111 2HB PRO 111 -9.363 -0.161 -8.064 714 HB3 PRO 111 1HB PRO 111 -8.213 1.168 -8.253 715 HG2 PRO 111 2HG PRO 111 -7.444 -1.346 -8.668 716 HG3 PRO 111 1HG PRO 111 -6.373 -0.186 -7.861 717 HD2 PRO 111 2HD PRO 111 -7.953 -2.429 -6.701 718 HD3 PRO 111 1HD PRO 111 -6.374 -1.785 -6.213 719 H ILE 112 H ILE 112 -9.409 2.500 -4.837 720 HA ILE 112 HA ILE 112 -12.117 1.404 -4.597 721 HB ILE 112 HB ILE 112 -11.010 1.809 -2.469 722 HG12 ILE 112 1HG1 ILE 112 -13.170 3.855 -3.032 723 HG13 ILE 112 2HG1 ILE 112 -13.421 2.184 -2.543 724 HG21 ILE 112 1HG2 ILE 112 -10.391 4.090 -1.773 725 HG22 ILE 112 2HG2 ILE 112 -10.725 4.656 -3.409 726 HG23 ILE 112 3HG2 ILE 112 -9.424 3.502 -3.125 727 HD11 ILE 112 3HD1 ILE 112 -12.410 2.639 -0.386 728 HD12 ILE 112 1HD1 ILE 112 -13.741 3.756 -0.691 729 HD13 ILE 112 2HD1 ILE 112 -12.073 4.299 -0.875 730 H ASN 113 H ASN 113 -13.849 2.462 -5.371 731 HA ASN 113 HA ASN 113 -13.405 4.999 -6.728 732 HB2 ASN 113 1HB ASN 113 -15.898 4.593 -7.389 733 HB3 ASN 113 2HB ASN 113 -14.630 3.666 -8.173 734 HD21 ASN 113 2HD2 ASN 113 -16.076 2.059 -8.721 735 HD22 ASN 113 1HD2 ASN 113 -16.688 0.928 -7.565 736 H ILE 114 H ILE 114 -13.325 6.545 -5.258 737 HA ILE 114 HA ILE 114 -15.100 6.628 -2.989 738 HB ILE 114 HB ILE 114 -13.924 8.766 -2.460 739 HG12 ILE 114 1HG1 ILE 114 -11.712 9.000 -3.841 740 HG13 ILE 114 2HG1 ILE 114 -12.606 8.145 -5.083 741 HG21 ILE 114 1HG2 ILE 114 -13.142 6.672 -1.532 742 HG22 ILE 114 2HG2 ILE 114 -11.770 7.710 -1.919 743 HG23 ILE 114 3HG2 ILE 114 -12.181 6.363 -2.979 744 HD11 ILE 114 3HD1 ILE 114 -13.319 10.780 -3.838 745 HD12 ILE 114 1HD1 ILE 114 -14.326 9.899 -4.988 746 HD13 ILE 114 2HD1 ILE 114 -12.739 10.494 -5.479 747 H GLY 115 H GLY 115 -15.868 7.088 -5.973 748 HA2 GLY 115 1HA GLY 115 -17.983 8.284 -6.428 749 HA3 GLY 115 2HA GLY 115 -17.283 9.645 -5.555 750 H LEU 116 H LEU 116 -14.635 8.809 -6.837 751 HA LEU 116 HA LEU 116 -14.719 10.536 -9.065 752 HB2 LEU 116 1HB LEU 116 -12.426 9.574 -9.549 753 HB3 LEU 116 2HB LEU 116 -12.642 10.372 -8.009 754 HG LEU 116 HG LEU 116 -12.989 7.995 -7.053 755 HD11 LEU 116 1HD1 LEU 116 -11.623 7.327 -9.651 756 HD12 LEU 116 2HD1 LEU 116 -13.223 6.790 -9.133 757 HD13 LEU 116 3HD1 LEU 116 -11.785 6.240 -8.273 758 HD21 LEU 116 3HD2 LEU 116 -11.065 9.375 -6.548 759 HD22 LEU 116 1HD2 LEU 116 -10.300 8.904 -8.065 760 HD23 LEU 116 2HD2 LEU 116 -10.563 7.703 -6.802 Start of MODEL 12 1 H1 LYS 10 1H LYS 10 -24.041 -4.787 9.450 2 H2 LYS 10 2H LYS 10 -23.651 -5.880 8.224 3 H3 LYS 10 3H LYS 10 -24.742 -6.324 9.429 4 HA LYS 10 HA LYS 10 -26.282 -4.614 8.680 5 HB2 LYS 10 1HB LYS 10 -24.266 -4.306 6.452 6 HB3 LYS 10 2HB LYS 10 -25.853 -3.558 6.486 7 HG2 LYS 10 1HG LYS 10 -25.224 -2.265 8.443 8 HG3 LYS 10 2HG LYS 10 -23.643 -3.052 8.466 9 HD2 LYS 10 1HD LYS 10 -24.712 -1.355 6.212 10 HD3 LYS 10 2HD LYS 10 -23.571 -0.809 7.442 11 HE2 LYS 10 1HE LYS 10 -21.985 -2.544 6.700 12 HE3 LYS 10 2HE LYS 10 -23.120 -3.018 5.440 13 HZ1 LYS 10 3HZ LYS 10 -21.825 -0.363 5.698 14 HZ2 LYS 10 1HZ LYS 10 -22.940 -0.797 4.502 15 HZ3 LYS 10 2HZ LYS 10 -21.431 -1.554 4.565 16 H ALA 11 H ALA 11 -24.394 -7.035 6.944 17 HA ALA 11 HA ALA 11 -26.595 -7.689 5.182 18 HB1 ALA 11 3HB ALA 11 -25.052 -9.297 4.192 19 HB2 ALA 11 1HB ALA 11 -23.886 -8.982 5.478 20 HB3 ALA 11 2HB ALA 11 -24.306 -7.706 4.334 21 H MET 12 H MET 12 -27.251 -8.065 7.876 22 HA MET 12 HA MET 12 -28.247 -9.537 9.279 23 HB2 MET 12 1HB MET 12 -28.525 -10.968 6.649 24 HB3 MET 12 2HB MET 12 -29.180 -11.641 8.131 25 HG2 MET 12 1HG MET 12 -30.927 -10.503 6.988 26 HG3 MET 12 2HG MET 12 -30.512 -9.571 8.423 27 HE1 MET 12 3HE MET 12 -29.372 -8.399 4.101 28 HE2 MET 12 1HE MET 12 -30.318 -9.824 4.534 29 HE3 MET 12 2HE MET 12 -28.602 -9.745 4.942 30 H ALA 13 H ALA 13 -25.416 -9.674 9.236 31 HA ALA 13 HA ALA 13 -25.053 -12.508 9.955 32 HB1 ALA 13 3HB ALA 13 -22.679 -12.235 9.615 33 HB2 ALA 13 1HB ALA 13 -22.891 -10.515 9.289 34 HB3 ALA 13 2HB ALA 13 -23.543 -11.710 8.169 35 H ASP 14 H ASP 14 -25.041 -9.250 11.054 36 HA ASP 14 HA ASP 14 -23.779 -9.871 13.597 37 HB2 ASP 14 1HB ASP 14 -25.268 -7.337 12.886 38 HB3 ASP 14 2HB ASP 14 -24.061 -7.557 14.145 39 H ILE 15 H ILE 15 -26.943 -9.218 12.254 40 HA ILE 15 HA ILE 15 -28.173 -10.140 14.764 41 HB ILE 15 HB ILE 15 -30.095 -8.668 14.297 42 HG12 ILE 15 1HG1 ILE 15 -28.339 -7.504 12.121 43 HG13 ILE 15 2HG1 ILE 15 -29.769 -8.494 11.846 44 HG21 ILE 15 1HG2 ILE 15 -28.384 -7.909 15.833 45 HG22 ILE 15 2HG2 ILE 15 -29.012 -6.544 14.910 46 HG23 ILE 15 3HG2 ILE 15 -27.445 -7.242 14.499 47 HD11 ILE 15 3HD1 ILE 15 -31.158 -6.785 12.878 48 HD12 ILE 15 1HD1 ILE 15 -30.235 -6.130 11.526 49 HD13 ILE 15 2HD1 ILE 15 -29.729 -5.800 13.184 50 H GLY 16 H GLY 16 -30.537 -10.793 14.305 51 HA2 GLY 16 1HA GLY 16 -30.954 -11.874 11.632 52 HA3 GLY 16 2HA GLY 16 -30.849 -13.039 12.945 53 H SER 17 H SER 17 -33.102 -13.331 11.859 54 HA SER 17 HA SER 17 -35.358 -13.280 12.095 55 HB2 SER 17 1HB SER 17 -34.741 -12.102 14.815 56 HB3 SER 17 2HB SER 17 -36.223 -12.935 14.341 57 HG SER 17 HG SER 17 -34.671 -14.741 13.811 58 H THR 18 H THR 18 -34.613 -11.325 10.526 59 HA THR 18 HA THR 18 -35.415 -8.725 11.451 60 HB THR 18 HB THR 18 -34.886 -9.649 8.619 61 HG1 THR 18 1HG THR 18 -33.032 -9.925 9.893 62 HG21 THR 18 3HG2 THR 18 -34.919 -6.881 9.828 63 HG22 THR 18 1HG2 THR 18 -36.140 -7.547 8.746 64 HG23 THR 18 2HG2 THR 18 -34.500 -7.274 8.162 65 H ALA 19 H ALA 19 -37.460 -8.203 11.752 66 HA ALA 19 HA ALA 19 -39.550 -9.503 10.171 67 HB1 ALA 19 3HB ALA 19 -39.829 -9.491 12.594 68 HB2 ALA 19 1HB ALA 19 -41.105 -8.565 11.806 69 HB3 ALA 19 2HB ALA 19 -39.770 -7.729 12.601 70 H VAL 20 H VAL 20 -37.905 -6.494 10.526 71 HA VAL 20 HA VAL 20 -39.991 -4.996 9.169 72 HB VAL 20 HB VAL 20 -38.457 -3.042 9.424 73 HG11 VAL 20 1HG1 VAL 20 -39.074 -4.585 11.943 74 HG12 VAL 20 2HG1 VAL 20 -40.178 -3.516 11.079 75 HG13 VAL 20 3HG1 VAL 20 -38.738 -2.855 11.854 76 HG21 VAL 20 3HG2 VAL 20 -36.318 -4.217 9.441 77 HG22 VAL 20 1HG2 VAL 20 -36.747 -5.000 10.960 78 HG23 VAL 20 2HG2 VAL 20 -36.512 -3.256 10.906 79 HA PRO 21 HA PRO 21 -38.020 -5.925 5.262 80 HB2 PRO 21 2HB PRO 21 -39.988 -4.983 3.689 81 HB3 PRO 21 1HB PRO 21 -40.135 -6.514 4.559 82 HG2 PRO 21 2HG PRO 21 -41.270 -3.832 5.232 83 HG3 PRO 21 1HG PRO 21 -42.017 -5.433 5.369 84 HD2 PRO 21 2HD PRO 21 -40.904 -4.063 7.474 85 HD3 PRO 21 1HD PRO 21 -41.071 -5.827 7.412 86 H ARG 22 H ARG 22 -39.079 -2.844 6.437 87 HA ARG 22 HA ARG 22 -37.737 -1.381 4.313 88 HB2 ARG 22 1HB ARG 22 -39.171 -0.435 6.800 89 HB3 ARG 22 2HB ARG 22 -38.473 0.628 5.587 90 HG2 ARG 22 1HG ARG 22 -40.002 -0.217 3.915 91 HG3 ARG 22 2HG ARG 22 -40.658 -1.381 5.068 92 HD2 ARG 22 1HD ARG 22 -40.776 1.621 5.351 93 HD3 ARG 22 2HD ARG 22 -42.102 0.594 4.807 94 HE ARG 22 HE ARG 22 -41.155 -0.304 7.307 95 HH11 ARG 22 1HH1 ARG 22 -42.998 2.305 5.877 96 HH12 ARG 22 2HH1 ARG 22 -43.917 2.608 7.318 97 HH21 ARG 22 1HH2 ARG 22 -42.358 0.102 9.201 98 HH22 ARG 22 2HH2 ARG 22 -43.549 1.364 9.205 99 H ASP 23 H ASP 23 -35.778 -0.423 4.502 100 HA ASP 23 HA ASP 23 -34.058 -1.407 6.566 101 HB2 ASP 23 1HB ASP 23 -32.269 -0.343 5.375 102 HB3 ASP 23 2HB ASP 23 -33.346 -1.061 4.184 103 H VAL 24 H VAL 24 -32.817 -0.171 8.024 104 HA VAL 24 HA VAL 24 -34.145 2.305 8.878 105 HB VAL 24 HB VAL 24 -32.138 0.714 10.479 106 HG11 VAL 24 1HG1 VAL 24 -34.291 2.666 11.284 107 HG12 VAL 24 2HG1 VAL 24 -32.555 2.970 11.278 108 HG13 VAL 24 3HG1 VAL 24 -33.239 1.787 12.393 109 HG21 VAL 24 3HG2 VAL 24 -33.953 -0.786 9.873 110 HG22 VAL 24 1HG2 VAL 24 -35.137 0.388 10.447 111 HG23 VAL 24 2HG2 VAL 24 -34.032 -0.379 11.586 112 H ASN 25 H ASN 25 -32.135 1.927 6.684 113 HA ASN 25 HA ASN 25 -29.834 3.409 7.699 114 HB2 ASN 25 1HB ASN 25 -30.408 2.108 5.032 115 HB3 ASN 25 2HB ASN 25 -28.988 3.102 5.325 116 HD21 ASN 25 2HD2 ASN 25 -30.505 0.057 5.856 117 HD22 ASN 25 1HD2 ASN 25 -29.161 -0.719 6.620 118 H GLY 26 H GLY 26 -32.182 3.655 5.026 119 HA2 GLY 26 1HA GLY 26 -33.115 5.503 4.023 120 HA3 GLY 26 2HA GLY 26 -32.781 6.367 5.516 121 H GLY 27 H GLY 27 -30.895 5.006 2.818 122 HA2 GLY 27 1HA GLY 27 -29.616 6.182 1.266 123 HA3 GLY 27 2HA GLY 27 -29.925 7.656 2.168 124 H THR 28 H THR 28 -28.400 4.547 3.030 125 HA THR 28 HA THR 28 -26.244 5.932 4.361 126 HB THR 28 HB THR 28 -27.182 3.727 5.157 127 HG1 THR 28 1HG THR 28 -24.378 3.815 4.620 128 HG21 THR 28 3HG2 THR 28 -27.368 2.552 3.058 129 HG22 THR 28 1HG2 THR 28 -26.233 1.691 4.096 130 HG23 THR 28 2HG2 THR 28 -25.633 2.703 2.778 131 HA PRO 29 HA PRO 29 -23.492 5.565 0.829 132 HB2 PRO 29 2HB PRO 29 -21.459 6.938 1.858 133 HB3 PRO 29 1HB PRO 29 -22.998 7.734 1.504 134 HG2 PRO 29 2HG PRO 29 -21.838 6.943 4.123 135 HG3 PRO 29 1HG PRO 29 -22.924 8.286 3.732 136 HD2 PRO 29 2HD PRO 29 -23.635 5.725 4.801 137 HD3 PRO 29 1HD PRO 29 -24.719 7.038 4.318 138 HA PRO 30 HA PRO 30 -21.175 2.058 2.891 139 HB2 PRO 30 2HB PRO 30 -22.014 0.428 0.636 140 HB3 PRO 30 1HB PRO 30 -22.321 0.183 2.357 141 HG2 PRO 30 2HG PRO 30 -24.266 0.846 0.583 142 HG3 PRO 30 1HG PRO 30 -24.311 1.290 2.297 143 HD2 PRO 30 2HD PRO 30 -23.549 2.956 -0.067 144 HD3 PRO 30 1HD PRO 30 -24.502 3.401 1.357 145 H LYS 31 H LYS 31 -19.439 3.497 2.161 146 HA LYS 31 HA LYS 31 -17.969 2.256 0.008 147 HB2 LYS 31 1HB LYS 31 -17.325 4.496 -0.917 148 HB3 LYS 31 2HB LYS 31 -18.983 3.989 -1.235 149 HG2 LYS 31 1HG LYS 31 -19.831 5.419 0.439 150 HG3 LYS 31 2HG LYS 31 -18.208 5.722 1.048 151 HD2 LYS 31 1HD LYS 31 -17.636 7.025 -0.847 152 HD3 LYS 31 2HD LYS 31 -19.044 6.459 -1.746 153 HE2 LYS 31 1HE LYS 31 -19.409 8.727 -1.008 154 HE3 LYS 31 2HE LYS 31 -20.503 7.644 -0.156 155 HZ1 LYS 31 3HZ LYS 31 -19.512 9.309 1.308 156 HZ2 LYS 31 1HZ LYS 31 -17.969 8.721 0.947 157 HZ3 LYS 31 2HZ LYS 31 -19.070 7.742 1.770 158 H SER 32 H SER 32 -15.705 3.313 -0.121 159 HA SER 32 HA SER 32 -13.717 3.797 0.846 160 HB2 SER 32 1HB SER 32 -15.354 4.798 3.185 161 HB3 SER 32 2HB SER 32 -13.628 5.074 2.940 162 HG SER 32 HG SER 32 -15.530 5.819 0.995 163 H CYS 33 H CYS 33 -12.535 3.378 3.170 164 HA CYS 33 HA CYS 33 -12.656 0.522 3.389 165 HB2 CYS 33 2HB CYS 33 -10.973 2.539 4.894 166 HB3 CYS 33 1HB CYS 33 -10.735 0.795 4.914 167 H SER 34 H SER 34 -13.597 -0.677 4.922 168 HA SER 34 HA SER 34 -15.319 0.595 6.832 169 HB2 SER 34 1HB SER 34 -15.776 -1.853 7.464 170 HB3 SER 34 2HB SER 34 -16.206 -1.348 5.830 171 HG SER 34 HG SER 34 -14.016 -2.911 6.689 172 H SER 35 H SER 35 -12.089 -0.279 6.838 173 HA SER 35 HA SER 35 -12.005 -0.667 9.731 174 HB2 SER 35 1HB SER 35 -9.802 -0.853 7.660 175 HB3 SER 35 2HB SER 35 -9.628 -1.226 9.376 176 HG SER 35 HG SER 35 -11.389 -2.794 8.999 177 H GLY 36 H GLY 36 -12.203 1.914 7.784 178 HA2 GLY 36 1HA GLY 36 -12.059 3.989 9.198 179 HA3 GLY 36 2HA GLY 36 -10.400 3.504 9.495 180 HA PRO 37 HA PRO 37 -9.699 6.710 6.435 181 HB2 PRO 37 2HB PRO 37 -6.964 5.596 6.658 182 HB3 PRO 37 1HB PRO 37 -7.513 7.267 6.788 183 HG2 PRO 37 2HG PRO 37 -6.805 5.842 8.946 184 HG3 PRO 37 1HG PRO 37 -8.100 7.047 8.999 185 HD2 PRO 37 2HD PRO 37 -8.270 4.089 9.014 186 HD3 PRO 37 1HD PRO 37 -9.355 5.301 9.721 187 H VAL 38 H VAL 38 -9.216 6.857 4.333 188 HA VAL 38 HA VAL 38 -8.829 4.395 2.796 189 HB VAL 38 HB VAL 38 -9.563 7.213 1.931 190 HG11 VAL 38 1HG1 VAL 38 -8.320 6.091 0.167 191 HG12 VAL 38 2HG1 VAL 38 -10.021 6.262 -0.275 192 HG13 VAL 38 3HG1 VAL 38 -9.404 4.702 0.271 193 HG21 VAL 38 3HG2 VAL 38 -11.755 6.260 1.454 194 HG22 VAL 38 1HG2 VAL 38 -11.328 6.069 3.156 195 HG23 VAL 38 2HG2 VAL 38 -11.204 4.696 2.051 196 H TYR 39 H TYR 39 -7.207 4.766 0.843 197 HA TYR 39 HA TYR 39 -4.959 6.350 1.880 198 HB2 TYR 39 2HB TYR 39 -4.774 3.594 0.662 199 HB3 TYR 39 1HB TYR 39 -3.410 4.588 1.167 200 HD1 TYR 39 2HD TYR 39 -6.290 2.618 2.346 201 HD2 TYR 39 1HD TYR 39 -2.808 4.777 3.491 202 HE1 TYR 39 2HE TYR 39 -6.453 1.669 4.604 203 HE2 TYR 39 1HE TYR 39 -2.963 3.831 5.756 204 HH TYR 39 HH TYR 39 -5.061 1.230 6.513 205 H CYS 40 H CYS 40 -3.765 7.455 0.475 206 HA CYS 40 HA CYS 40 -4.614 7.374 -2.344 207 HB2 CYS 40 2HB CYS 40 -5.256 9.426 -1.129 208 HB3 CYS 40 1HB CYS 40 -3.566 9.719 -0.748 209 H CYS 41 H CYS 41 -3.070 6.265 -3.421 210 HA CYS 41 HA CYS 41 -0.255 6.714 -2.649 211 HB2 CYS 41 2HB CYS 41 -1.345 4.444 -4.323 212 HB3 CYS 41 1HB CYS 41 0.255 4.567 -3.599 213 H ASN 42 H ASN 42 1.111 7.548 -4.066 214 HA ASN 42 HA ASN 42 0.274 8.892 -6.368 215 HB2 ASN 42 1HB ASN 42 3.005 7.918 -5.543 216 HB3 ASN 42 2HB ASN 42 2.725 8.994 -6.911 217 HD21 ASN 42 2HD2 ASN 42 2.951 8.728 -3.490 218 HD22 ASN 42 1HD2 ASN 42 2.768 10.408 -3.133 219 H LYS 43 H LYS 43 1.126 5.636 -5.844 220 HA LYS 43 HA LYS 43 0.275 4.685 -8.335 221 HB2 LYS 43 1HB LYS 43 2.460 5.812 -8.945 222 HB3 LYS 43 2HB LYS 43 3.267 4.674 -7.887 223 HG2 LYS 43 1HG LYS 43 1.603 3.761 -10.196 224 HG3 LYS 43 2HG LYS 43 3.295 4.218 -10.384 225 HD2 LYS 43 1HD LYS 43 3.762 2.563 -8.495 226 HD3 LYS 43 2HD LYS 43 2.124 1.968 -8.782 227 HE2 LYS 43 1HE LYS 43 2.735 1.641 -11.166 228 HE3 LYS 43 2HE LYS 43 4.386 2.088 -10.742 229 HZ1 LYS 43 3HZ LYS 43 2.894 -0.203 -9.595 230 HZ2 LYS 43 1HZ LYS 43 4.509 0.198 -9.266 231 HZ3 LYS 43 2HZ LYS 43 4.058 -0.319 -10.815 232 H THR 44 H THR 44 -0.472 2.640 -7.732 233 HA THR 44 HA THR 44 0.784 1.437 -5.403 234 HB THR 44 HB THR 44 -0.930 -0.363 -5.663 235 HG1 THR 44 1HG THR 44 -2.145 1.419 -7.520 236 HG21 THR 44 3HG2 THR 44 -1.157 1.539 -4.135 237 HG22 THR 44 1HG2 THR 44 -2.713 0.981 -4.743 238 HG23 THR 44 2HG2 THR 44 -1.988 2.449 -5.401 239 H GLU 45 H GLU 45 1.508 -0.710 -5.341 240 HA GLU 45 HA GLU 45 2.789 -1.498 -7.878 241 HB2 GLU 45 1HB GLU 45 4.279 -0.552 -6.048 242 HB3 GLU 45 2HB GLU 45 3.883 -1.978 -5.099 243 HG2 GLU 45 1HG GLU 45 6.013 -2.259 -6.200 244 HG3 GLU 45 2HG GLU 45 4.837 -3.398 -6.852 245 H ASP 46 H ASP 46 2.725 -3.636 -8.434 246 HA ASP 46 HA ASP 46 0.548 -5.117 -7.300 247 HB2 ASP 46 1HB ASP 46 2.514 -5.847 -9.476 248 HB3 ASP 46 2HB ASP 46 1.121 -6.822 -9.025 249 H SER 47 H SER 47 0.763 -6.126 -5.460 250 HA SER 47 HA SER 47 3.056 -6.786 -4.102 251 HB2 SER 47 1HB SER 47 0.509 -8.394 -3.920 252 HB3 SER 47 2HB SER 47 1.692 -8.095 -2.646 253 HG SER 47 HG SER 47 -0.353 -6.496 -3.592 254 H LYS 48 H LYS 48 1.610 -8.538 -6.697 255 HA LYS 48 HA LYS 48 2.613 -11.099 -6.171 256 HB2 LYS 48 1HB LYS 48 1.814 -9.783 -8.767 257 HB3 LYS 48 2HB LYS 48 2.229 -11.481 -8.621 258 HG2 LYS 48 1HG LYS 48 -0.105 -11.346 -8.589 259 HG3 LYS 48 2HG LYS 48 0.409 -11.656 -6.935 260 HD2 LYS 48 1HD LYS 48 0.097 -9.350 -6.351 261 HD3 LYS 48 2HD LYS 48 -0.308 -8.946 -8.020 262 HE2 LYS 48 1HE LYS 48 -2.332 -9.100 -6.717 263 HE3 LYS 48 2HE LYS 48 -2.269 -10.440 -7.860 264 HZ1 LYS 48 3HZ LYS 48 -1.584 -10.585 -4.974 265 HZ2 LYS 48 1HZ LYS 48 -1.495 -11.874 -6.068 266 HZ3 LYS 48 2HZ LYS 48 -2.989 -11.185 -5.694 267 H HIS 49 H HIS 49 3.848 -8.404 -8.063 268 HA HIS 49 HA HIS 49 6.483 -9.693 -8.122 269 HB2 HIS 49 1HB HIS 49 4.989 -8.511 -10.457 270 HB3 HIS 49 2HB HIS 49 6.729 -8.733 -10.467 271 HD1 HIS 49 HD1 HIS 49 7.620 -11.163 -10.621 272 HD2 HIS 49 HD2 HIS 49 3.476 -10.848 -10.714 273 HE1 HIS 49 HE1 HIS 49 6.784 -13.420 -11.353 274 HE2 HIS 49 HE2 HIS 49 4.281 -13.176 -11.498 275 H LEU 50 H LEU 50 6.158 -8.012 -6.250 276 HA LEU 50 HA LEU 50 6.275 -5.282 -6.674 277 HB2 LEU 50 1HB LEU 50 7.520 -6.948 -4.505 278 HB3 LEU 50 2HB LEU 50 7.439 -5.200 -4.465 279 HG LEU 50 HG LEU 50 5.074 -7.071 -4.495 280 HD11 LEU 50 1HD1 LEU 50 6.275 -7.048 -2.382 281 HD12 LEU 50 2HD1 LEU 50 4.705 -6.258 -2.242 282 HD13 LEU 50 3HD1 LEU 50 6.174 -5.288 -2.343 283 HD21 LEU 50 3HD2 LEU 50 3.813 -4.958 -4.070 284 HD22 LEU 50 1HD2 LEU 50 4.500 -5.107 -5.688 285 HD23 LEU 50 2HD2 LEU 50 5.279 -4.070 -4.487 286 H ASP 51 H ASP 51 7.978 -3.813 -6.449 287 HA ASP 51 HA ASP 51 10.285 -4.385 -8.038 288 HB2 ASP 51 1HB ASP 51 9.060 -2.153 -7.839 289 HB3 ASP 51 2HB ASP 51 9.830 -1.972 -6.275 290 H LYS 52 H LYS 52 12.504 -4.235 -7.277 291 HA LYS 52 HA LYS 52 12.920 -5.597 -4.822 292 HB2 LYS 52 1HB LYS 52 14.852 -4.191 -6.664 293 HB3 LYS 52 2HB LYS 52 15.345 -5.023 -5.197 294 HG2 LYS 52 1HG LYS 52 15.728 -6.485 -7.035 295 HG3 LYS 52 2HG LYS 52 14.351 -7.109 -6.131 296 HD2 LYS 52 1HD LYS 52 12.823 -6.144 -7.769 297 HD3 LYS 52 2HD LYS 52 14.187 -5.466 -8.657 298 HE2 LYS 52 1HE LYS 52 13.379 -7.513 -9.712 299 HE3 LYS 52 2HE LYS 52 15.020 -7.719 -9.106 300 HZ1 LYS 52 3HZ LYS 52 14.188 -8.917 -7.228 301 HZ2 LYS 52 1HZ LYS 52 13.548 -9.616 -8.629 302 HZ3 LYS 52 2HZ LYS 52 12.583 -8.610 -7.668 303 H GLY 53 H GLY 53 12.979 -2.240 -5.804 304 HA2 GLY 53 1HA GLY 53 14.191 -1.193 -3.460 305 HA3 GLY 53 2HA GLY 53 13.185 -0.300 -4.594 306 H THR 54 H THR 54 10.890 -2.017 -4.306 307 HA THR 54 HA THR 54 9.783 -0.892 -1.907 308 HB THR 54 HB THR 54 8.494 -2.872 -3.799 309 HG1 THR 54 1HG THR 54 8.948 -0.124 -3.990 310 HG21 THR 54 3HG2 THR 54 6.384 -1.963 -2.923 311 HG22 THR 54 1HG2 THR 54 7.297 -0.921 -1.822 312 HG23 THR 54 2HG2 THR 54 7.363 -2.677 -1.635 313 H THR 55 H THR 55 10.470 -4.128 -3.145 314 HA THR 55 HA THR 55 9.789 -5.660 -0.942 315 HB THR 55 HB THR 55 12.174 -5.993 -2.778 316 HG1 THR 55 1HG THR 55 10.398 -6.149 -4.039 317 HG21 THR 55 3HG2 THR 55 10.828 -8.008 -0.974 318 HG22 THR 55 1HG2 THR 55 12.441 -7.323 -0.755 319 HG23 THR 55 2HG2 THR 55 12.103 -8.361 -2.143 320 H ALA 56 H ALA 56 12.611 -3.670 -1.525 321 HA ALA 56 HA ALA 56 14.193 -4.345 0.652 322 HB1 ALA 56 3HB ALA 56 15.167 -2.103 0.417 323 HB2 ALA 56 1HB ALA 56 13.825 -1.642 -0.631 324 HB3 ALA 56 2HB ALA 56 14.953 -2.897 -1.143 325 H LEU 57 H LEU 57 11.674 -1.793 0.507 326 HA LEU 57 HA LEU 57 12.004 -0.909 3.165 327 HB2 LEU 57 1HB LEU 57 9.475 -0.868 1.529 328 HB3 LEU 57 2HB LEU 57 9.750 0.037 2.998 329 HG LEU 57 HG LEU 57 10.330 1.736 1.702 330 HD11 LEU 57 1HD1 LEU 57 12.552 1.856 0.860 331 HD12 LEU 57 2HD1 LEU 57 12.664 0.100 0.764 332 HD13 LEU 57 3HD1 LEU 57 12.590 0.892 2.340 333 HD21 LEU 57 3HD2 LEU 57 9.181 0.409 -0.133 334 HD22 LEU 57 1HD2 LEU 57 10.802 -0.051 -0.653 335 HD23 LEU 57 2HD2 LEU 57 10.331 1.650 -0.649 336 H LEU 58 H LEU 58 9.861 -3.261 1.704 337 HA LEU 58 HA LEU 58 8.415 -3.976 3.991 338 HB2 LEU 58 1HB LEU 58 9.200 -5.807 1.739 339 HB3 LEU 58 2HB LEU 58 7.798 -5.952 2.784 340 HG LEU 58 HG LEU 58 8.237 -3.711 0.797 341 HD11 LEU 58 1HD1 LEU 58 6.466 -4.782 -0.476 342 HD12 LEU 58 2HD1 LEU 58 6.408 -6.099 0.697 343 HD13 LEU 58 3HD1 LEU 58 7.850 -5.861 -0.289 344 HD21 LEU 58 3HD2 LEU 58 5.931 -3.128 1.270 345 HD22 LEU 58 1HD2 LEU 58 6.892 -3.063 2.747 346 HD23 LEU 58 2HD2 LEU 58 5.820 -4.431 2.455 347 H GLY 59 H GLY 59 11.384 -5.334 2.604 348 HA2 GLY 59 1HA GLY 59 11.902 -7.263 4.537 349 HA3 GLY 59 2HA GLY 59 13.133 -6.426 3.605 350 H LEU 60 H LEU 60 12.629 -3.794 4.568 351 HA LEU 60 HA LEU 60 14.193 -3.658 6.881 352 HB2 LEU 60 1HB LEU 60 12.101 -1.643 6.032 353 HB3 LEU 60 2HB LEU 60 13.468 -1.342 7.086 354 HG LEU 60 HG LEU 60 13.513 -1.842 4.117 355 HD11 LEU 60 1HD1 LEU 60 14.421 0.467 5.825 356 HD12 LEU 60 2HD1 LEU 60 12.982 0.427 4.805 357 HD13 LEU 60 3HD1 LEU 60 14.585 0.352 4.073 358 HD21 LEU 60 3HD2 LEU 60 15.846 -1.631 6.008 359 HD22 LEU 60 1HD2 LEU 60 15.934 -1.742 4.250 360 HD23 LEU 60 2HD2 LEU 60 15.313 -3.100 5.191 361 H LEU 61 H LEU 61 10.725 -3.432 6.469 362 HA LEU 61 HA LEU 61 10.235 -3.184 9.308 363 HB2 LEU 61 1HB LEU 61 8.265 -3.495 7.049 364 HB3 LEU 61 2HB LEU 61 7.927 -2.900 8.665 365 HG LEU 61 HG LEU 61 9.947 -1.437 7.037 366 HD11 LEU 61 1HD1 LEU 61 8.200 -0.120 5.973 367 HD12 LEU 61 2HD1 LEU 61 6.974 -1.199 6.641 368 HD13 LEU 61 3HD1 LEU 61 8.137 -1.808 5.464 369 HD21 LEU 61 3HD2 LEU 61 9.442 -0.815 9.371 370 HD22 LEU 61 1HD2 LEU 61 7.768 -0.513 8.900 371 HD23 LEU 61 2HD2 LEU 61 9.069 0.467 8.217 372 H ASN 62 H ASN 62 10.820 -5.724 7.303 373 HA ASN 62 HA ASN 62 10.780 -7.962 7.585 374 HB2 ASN 62 1HB ASN 62 11.268 -7.407 9.977 375 HB3 ASN 62 2HB ASN 62 9.542 -7.472 10.281 376 HD21 ASN 62 2HD2 ASN 62 11.191 -9.645 8.075 377 HD22 ASN 62 1HD2 ASN 62 10.972 -11.066 9.034 378 H ILE 63 H ILE 63 8.658 -6.538 6.332 379 HA ILE 63 HA ILE 63 6.210 -7.941 6.947 380 HB ILE 63 HB ILE 63 6.944 -6.188 4.590 381 HG12 ILE 63 1HG1 ILE 63 5.181 -5.471 6.920 382 HG13 ILE 63 2HG1 ILE 63 6.923 -5.222 6.971 383 HG21 ILE 63 1HG2 ILE 63 4.526 -6.019 4.209 384 HG22 ILE 63 2HG2 ILE 63 4.246 -7.190 5.499 385 HG23 ILE 63 3HG2 ILE 63 5.100 -7.677 4.034 386 HD11 ILE 63 3HD1 ILE 63 5.652 -3.220 6.317 387 HD12 ILE 63 1HD1 ILE 63 5.101 -4.083 4.879 388 HD13 ILE 63 2HD1 ILE 63 6.820 -3.747 5.105 389 H LYS 64 H LYS 64 5.252 -9.516 5.668 390 HA LYS 64 HA LYS 64 7.155 -11.075 4.098 391 HB2 LYS 64 1HB LYS 64 5.182 -12.788 4.224 392 HB3 LYS 64 2HB LYS 64 6.226 -12.545 5.611 393 HG2 LYS 64 1HG LYS 64 3.679 -11.004 5.355 394 HG3 LYS 64 2HG LYS 64 3.663 -12.665 5.935 395 HD2 LYS 64 1HD LYS 64 5.289 -10.427 7.143 396 HD3 LYS 64 2HD LYS 64 3.736 -10.993 7.758 397 HE2 LYS 64 1HE LYS 64 4.687 -13.208 8.126 398 HE3 LYS 64 2HE LYS 64 6.238 -12.656 7.501 399 HZ1 LYS 64 3HZ LYS 64 6.274 -12.628 9.881 400 HZ2 LYS 64 1HZ LYS 64 4.876 -11.676 9.948 401 HZ3 LYS 64 2HZ LYS 64 6.309 -11.034 9.324 402 H ILE 65 H ILE 65 7.136 -10.932 2.008 403 HA ILE 65 HA ILE 65 5.190 -9.400 0.618 404 HB ILE 65 HB ILE 65 7.556 -11.012 -0.346 405 HG12 ILE 65 1HG1 ILE 65 8.452 -8.772 -0.945 406 HG13 ILE 65 2HG1 ILE 65 7.021 -8.039 -0.242 407 HG21 ILE 65 1HG2 ILE 65 7.231 -10.071 -2.557 408 HG22 ILE 65 2HG2 ILE 65 5.765 -9.261 -2.011 409 HG23 ILE 65 3HG2 ILE 65 5.824 -11.025 -2.084 410 HD11 ILE 65 3HD1 ILE 65 9.088 -9.648 1.244 411 HD12 ILE 65 1HD1 ILE 65 7.663 -8.887 1.950 412 HD13 ILE 65 2HD1 ILE 65 8.940 -7.888 1.249 413 H GLY 66 H GLY 66 5.729 -12.792 1.151 414 HA2 GLY 66 1HA GLY 66 4.057 -13.747 -0.959 415 HA3 GLY 66 2HA GLY 66 4.650 -14.684 0.404 416 H ASP 67 H ASP 67 3.387 -12.426 2.125 417 HA ASP 67 HA ASP 67 0.781 -13.726 2.316 418 HB2 ASP 67 1HB ASP 67 2.154 -13.379 4.360 419 HB3 ASP 67 2HB ASP 67 2.034 -11.640 4.117 420 H LEU 68 H LEU 68 2.197 -10.955 1.008 421 HA LEU 68 HA LEU 68 0.200 -9.024 1.308 422 HB2 LEU 68 1HB LEU 68 2.181 -9.443 -0.923 423 HB3 LEU 68 2HB LEU 68 1.195 -8.004 -0.731 424 HG LEU 68 HG LEU 68 3.265 -8.988 1.231 425 HD11 LEU 68 1HD1 LEU 68 4.246 -8.074 -0.803 426 HD12 LEU 68 2HD1 LEU 68 4.509 -7.002 0.571 427 HD13 LEU 68 3HD1 LEU 68 3.272 -6.615 -0.624 428 HD21 LEU 68 3HD2 LEU 68 1.457 -6.583 1.242 429 HD22 LEU 68 1HD2 LEU 68 2.847 -6.793 2.316 430 HD23 LEU 68 2HD2 LEU 68 1.482 -7.910 2.402 431 H LYS 69 H LYS 69 -1.558 -8.465 0.153 432 HA LYS 69 HA LYS 69 -2.765 -10.733 -1.218 433 HB2 LYS 69 1HB LYS 69 -4.053 -8.236 -0.102 434 HB3 LYS 69 2HB LYS 69 -4.906 -9.594 -0.806 435 HG2 LYS 69 1HG LYS 69 -5.123 -9.930 1.474 436 HG3 LYS 69 2HG LYS 69 -3.802 -11.002 1.021 437 HD2 LYS 69 1HD LYS 69 -2.176 -9.429 1.853 438 HD3 LYS 69 2HD LYS 69 -3.432 -8.231 2.158 439 HE2 LYS 69 1HE LYS 69 -2.824 -9.266 4.240 440 HE3 LYS 69 2HE LYS 69 -4.449 -9.786 3.799 441 HZ1 LYS 69 3HZ LYS 69 -3.160 -11.638 4.599 442 HZ2 LYS 69 1HZ LYS 69 -1.948 -11.355 3.450 443 HZ3 LYS 69 2HZ LYS 69 -3.487 -11.858 2.954 444 H ASP 70 H ASP 70 -3.713 -7.368 -1.673 445 HA ASP 70 HA ASP 70 -3.838 -7.894 -4.528 446 HB2 ASP 70 1HB ASP 70 -5.083 -5.907 -2.693 447 HB3 ASP 70 2HB ASP 70 -4.918 -5.477 -4.389 448 H LEU 71 H LEU 71 -3.422 -4.626 -3.442 449 HA LEU 71 HA LEU 71 -0.814 -4.553 -4.821 450 HB2 LEU 71 1HB LEU 71 -2.842 -2.378 -4.359 451 HB3 LEU 71 2HB LEU 71 -1.222 -2.088 -4.944 452 HG LEU 71 HG LEU 71 -2.397 -2.027 -6.879 453 HD11 LEU 71 1HD1 LEU 71 -2.085 -4.105 -8.120 454 HD12 LEU 71 2HD1 LEU 71 -1.753 -4.945 -6.606 455 HD13 LEU 71 3HD1 LEU 71 -0.674 -3.664 -7.161 456 HD21 LEU 71 3HD2 LEU 71 -4.153 -4.295 -5.978 457 HD22 LEU 71 1HD2 LEU 71 -4.356 -3.299 -7.418 458 HD23 LEU 71 2HD2 LEU 71 -4.550 -2.584 -5.815 459 H VAL 72 H VAL 72 0.649 -2.875 -4.072 460 HA VAL 72 HA VAL 72 0.268 -2.074 -1.268 461 HB VAL 72 HB VAL 72 2.383 -2.533 -0.630 462 HG11 VAL 72 1HG1 VAL 72 3.381 -4.511 -1.722 463 HG12 VAL 72 2HG1 VAL 72 2.188 -4.349 -3.013 464 HG13 VAL 72 3HG1 VAL 72 1.662 -4.676 -1.361 465 HG21 VAL 72 3HG2 VAL 72 3.216 -1.683 -3.365 466 HG22 VAL 72 1HG2 VAL 72 4.349 -2.534 -2.310 467 HG23 VAL 72 2HG2 VAL 72 3.643 -1.000 -1.790 468 H GLY 73 H GLY 73 1.638 0.046 -0.907 469 HA2 GLY 73 1HA GLY 73 1.648 1.611 -3.392 470 HA3 GLY 73 2HA GLY 73 0.706 2.193 -2.027 471 H LEU 74 H LEU 74 3.362 2.937 -3.577 472 HA LEU 74 HA LEU 74 5.021 3.206 -1.193 473 HB2 LEU 74 1HB LEU 74 6.884 3.701 -2.556 474 HB3 LEU 74 2HB LEU 74 6.079 2.333 -3.272 475 HG LEU 74 HG LEU 74 6.815 3.629 -5.064 476 HD11 LEU 74 1HD1 LEU 74 4.807 4.466 -6.178 477 HD12 LEU 74 2HD1 LEU 74 3.922 4.330 -4.655 478 HD13 LEU 74 3HD1 LEU 74 4.572 2.882 -5.434 479 HD21 LEU 74 3HD2 LEU 74 5.685 6.079 -3.727 480 HD22 LEU 74 1HD2 LEU 74 6.446 6.030 -5.317 481 HD23 LEU 74 2HD2 LEU 74 7.391 5.658 -3.875 482 H ASN 75 H ASN 75 5.498 5.059 -0.248 483 HA ASN 75 HA ASN 75 5.022 7.109 0.595 484 HB2 ASN 75 1HB ASN 75 6.190 7.368 -1.943 485 HB3 ASN 75 2HB ASN 75 4.939 8.610 -1.859 486 HD21 ASN 75 2HD2 ASN 75 7.876 7.379 -0.505 487 HD22 ASN 75 1HD2 ASN 75 8.279 8.771 0.441 488 H CYS 76 H CYS 76 2.834 5.737 0.529 489 HA CYS 76 HA CYS 76 0.711 7.118 -0.899 490 HB2 CYS 76 2HB CYS 76 0.929 4.596 -0.673 491 HB3 CYS 76 1HB CYS 76 0.488 4.793 1.014 492 H SER 77 H SER 77 -0.955 8.195 0.144 493 HA SER 77 HA SER 77 -0.273 9.064 2.869 494 HB2 SER 77 1HB SER 77 -1.747 11.062 2.297 495 HB3 SER 77 2HB SER 77 -0.217 10.943 1.431 496 HG SER 77 HG SER 77 -1.268 10.333 -0.383 497 HA PRO 78 HA PRO 78 -4.044 6.957 4.086 498 HB2 PRO 78 2HB PRO 78 -3.380 7.901 6.771 499 HB3 PRO 78 1HB PRO 78 -3.483 6.246 6.171 500 HG2 PRO 78 2HG PRO 78 -1.134 7.410 6.845 501 HG3 PRO 78 1HG PRO 78 -1.266 6.182 5.575 502 HD2 PRO 78 2HD PRO 78 -1.053 9.160 5.323 503 HD3 PRO 78 1HD PRO 78 -0.286 7.884 4.350 504 H LEU 79 H LEU 79 -5.903 7.916 3.744 505 HA LEU 79 HA LEU 79 -6.276 10.723 4.428 506 HB2 LEU 79 1HB LEU 79 -8.290 8.896 3.136 507 HB3 LEU 79 2HB LEU 79 -8.151 10.638 2.988 508 HG LEU 79 HG LEU 79 -6.132 8.692 1.869 509 HD11 LEU 79 1HD1 LEU 79 -8.283 8.390 0.770 510 HD12 LEU 79 2HD1 LEU 79 -7.099 9.130 -0.307 511 HD13 LEU 79 3HD1 LEU 79 -8.360 10.120 0.434 512 HD21 LEU 79 3HD2 LEU 79 -6.533 11.655 1.558 513 HD22 LEU 79 1HD2 LEU 79 -5.491 10.690 0.511 514 HD23 LEU 79 2HD2 LEU 79 -5.137 10.810 2.238 515 H SER 80 H SER 80 -6.406 10.603 6.685 516 HA SER 80 HA SER 80 -8.158 8.742 8.000 517 HB2 SER 80 1HB SER 80 -7.478 10.182 10.029 518 HB3 SER 80 2HB SER 80 -6.209 9.276 9.204 519 HG SER 80 HG SER 80 -5.565 11.421 9.576 520 H VAL 81 H VAL 81 -8.161 12.232 7.384 521 HA VAL 81 HA VAL 81 -10.873 12.400 8.428 522 HB VAL 81 HB VAL 81 -10.643 14.861 7.866 523 HG11 VAL 81 1HG1 VAL 81 -9.285 15.312 9.875 524 HG12 VAL 81 2HG1 VAL 81 -8.771 13.625 9.882 525 HG13 VAL 81 3HG1 VAL 81 -10.469 14.030 10.134 526 HG21 VAL 81 3HG2 VAL 81 -8.777 14.688 6.292 527 HG22 VAL 81 1HG2 VAL 81 -7.736 14.092 7.585 528 HG23 VAL 81 2HG2 VAL 81 -8.366 15.738 7.648 529 H ILE 82 H ILE 82 -12.163 11.464 7.021 530 HA ILE 82 HA ILE 82 -11.988 11.977 4.188 531 HB ILE 82 HB ILE 82 -13.856 10.306 5.839 532 HG12 ILE 82 1HG1 ILE 82 -11.512 9.526 5.598 533 HG13 ILE 82 2HG1 ILE 82 -12.684 8.438 4.882 534 HG21 ILE 82 1HG2 ILE 82 -13.771 10.539 2.837 535 HG22 ILE 82 2HG2 ILE 82 -15.022 11.218 3.884 536 HG23 ILE 82 3HG2 ILE 82 -14.808 9.465 3.779 537 HD11 ILE 82 3HD1 ILE 82 -10.954 10.398 3.400 538 HD12 ILE 82 1HD1 ILE 82 -12.143 9.322 2.666 539 HD13 ILE 82 2HD1 ILE 82 -10.728 8.651 3.475 540 H GLY 83 H GLY 83 -14.617 12.173 6.568 541 HA2 GLY 83 1HA GLY 83 -16.074 14.076 6.736 542 HA3 GLY 83 2HA GLY 83 -15.697 14.444 5.057 543 H VAL 84 H VAL 84 -17.678 14.357 4.143 544 HA VAL 84 HA VAL 84 -19.260 11.929 4.501 545 HB VAL 84 HB VAL 84 -20.478 14.046 4.584 546 HG11 VAL 84 1HG1 VAL 84 -19.530 14.459 1.754 547 HG12 VAL 84 2HG1 VAL 84 -19.055 15.402 3.167 548 HG13 VAL 84 3HG1 VAL 84 -20.723 15.452 2.592 549 HG21 VAL 84 3HG2 VAL 84 -22.221 13.550 2.927 550 HG22 VAL 84 1HG2 VAL 84 -21.664 12.099 3.759 551 HG23 VAL 84 2HG2 VAL 84 -21.119 12.435 2.117 552 H GLY 85 H GLY 85 -17.259 13.587 2.180 553 HA2 GLY 85 1HA GLY 85 -17.591 11.303 0.340 554 HA3 GLY 85 2HA GLY 85 -17.292 12.946 -0.212 555 H GLY 86 H GLY 86 -15.252 13.908 1.041 556 HA2 GLY 86 1HA GLY 86 -13.147 12.653 2.042 557 HA3 GLY 86 2HA GLY 86 -13.078 12.074 0.384 558 H ASN 87 H ASN 87 -12.371 13.395 -1.215 559 HA ASN 87 HA ASN 87 -11.112 15.010 -2.175 560 HB2 ASN 87 1HB ASN 87 -13.271 16.284 -1.713 561 HB3 ASN 87 2HB ASN 87 -12.455 16.972 -0.312 562 HD21 ASN 87 2HD2 ASN 87 -10.709 18.383 -0.637 563 HD22 ASN 87 1HD2 ASN 87 -10.451 19.170 -2.156 564 H SER 88 H SER 88 -9.408 13.843 -0.923 565 HA SER 88 HA SER 88 -7.776 15.797 0.466 566 HB2 SER 88 1HB SER 88 -9.109 14.704 2.271 567 HB3 SER 88 2HB SER 88 -8.468 13.142 1.768 568 HG SER 88 HG SER 88 -6.384 14.687 2.109 569 H CYS 89 H CYS 89 -7.960 14.004 -2.005 570 HA CYS 89 HA CYS 89 -5.283 12.841 -1.796 571 HB2 CYS 89 2HB CYS 89 -6.558 10.917 -1.422 572 HB3 CYS 89 1HB CYS 89 -7.809 11.409 -2.546 573 H SER 90 H SER 90 -4.067 13.556 -3.383 574 HA SER 90 HA SER 90 -5.346 14.475 -5.868 575 HB2 SER 90 1HB SER 90 -2.580 15.167 -4.857 576 HB3 SER 90 2HB SER 90 -3.481 15.963 -6.147 577 HG SER 90 HG SER 90 -5.068 16.485 -4.467 578 H ALA 91 H ALA 91 -4.500 11.700 -5.086 579 HA ALA 91 HA ALA 91 -2.922 11.139 -7.478 580 HB1 ALA 91 3HB ALA 91 -1.302 11.231 -5.647 581 HB2 ALA 91 1HB ALA 91 -1.467 9.591 -6.270 582 HB3 ALA 91 2HB ALA 91 -2.240 10.037 -4.750 583 H GLN 92 H GLN 92 -2.665 8.329 -6.780 584 HA GLN 92 HA GLN 92 -5.308 7.566 -7.644 585 HB2 GLN 92 1HB GLN 92 -4.068 6.189 -8.866 586 HB3 GLN 92 2HB GLN 92 -2.628 6.610 -7.960 587 HG2 GLN 92 1HG GLN 92 -2.943 4.832 -6.453 588 HG3 GLN 92 2HG GLN 92 -4.569 4.507 -7.050 589 HE21 GLN 92 2HE2 GLN 92 -3.836 4.899 -9.831 590 HE22 GLN 92 1HE2 GLN 92 -2.922 3.509 -10.292 591 H THR 93 H THR 93 -6.832 6.656 -6.426 592 HA THR 93 HA THR 93 -6.212 6.490 -3.580 593 HB THR 93 HB THR 93 -9.020 6.520 -4.588 594 HG1 THR 93 1HG THR 93 -7.121 8.462 -5.083 595 HG21 THR 93 3HG2 THR 93 -8.529 6.373 -2.186 596 HG22 THR 93 1HG2 THR 93 -9.337 7.890 -2.581 597 HG23 THR 93 2HG2 THR 93 -7.597 7.868 -2.286 598 H VAL 94 H VAL 94 -6.238 4.658 -2.563 599 HA VAL 94 HA VAL 94 -7.780 2.391 -3.617 600 HB VAL 94 HB VAL 94 -5.872 0.895 -2.825 601 HG11 VAL 94 1HG1 VAL 94 -6.285 1.086 -5.163 602 HG12 VAL 94 2HG1 VAL 94 -4.550 1.244 -4.922 603 HG13 VAL 94 3HG1 VAL 94 -5.529 2.677 -5.230 604 HG21 VAL 94 3HG2 VAL 94 -3.660 1.838 -2.729 605 HG22 VAL 94 1HG2 VAL 94 -4.696 2.659 -1.560 606 HG23 VAL 94 2HG2 VAL 94 -4.292 3.446 -3.090 607 H CYS 95 H CYS 95 -8.043 0.669 -1.985 608 HA CYS 95 HA CYS 95 -8.169 1.764 0.749 609 HB2 CYS 95 2HB CYS 95 -10.381 1.216 -0.267 610 HB3 CYS 95 1HB CYS 95 -9.852 -0.451 -0.454 611 H CYS 96 H CYS 96 -6.858 0.809 2.193 612 HA CYS 96 HA CYS 96 -5.552 -1.697 1.367 613 HB2 CYS 96 2HB CYS 96 -4.167 0.601 2.740 614 HB3 CYS 96 1HB CYS 96 -3.429 -0.814 1.993 615 H THR 97 H THR 97 -4.611 -2.954 3.084 616 HA THR 97 HA THR 97 -6.513 -3.015 5.272 617 HB THR 97 HB THR 97 -5.933 -5.089 4.049 618 HG1 THR 97 1HG THR 97 -5.536 -4.837 6.831 619 HG21 THR 97 3HG2 THR 97 -3.539 -4.630 3.685 620 HG22 THR 97 1HG2 THR 97 -3.800 -6.197 4.450 621 HG23 THR 97 2HG2 THR 97 -3.250 -4.827 5.412 622 H ASN 98 H ASN 98 -3.311 -1.927 4.783 623 HA ASN 98 HA ASN 98 -3.085 -0.934 7.447 624 HB2 ASN 98 1HB ASN 98 -1.637 -3.438 6.762 625 HB3 ASN 98 2HB ASN 98 -0.719 -2.201 7.610 626 HD21 ASN 98 2HD2 ASN 98 -1.415 -4.782 8.530 627 HD22 ASN 98 1HD2 ASN 98 -2.382 -4.593 9.949 628 H THR 99 H THR 99 -0.893 0.088 7.783 629 HA THR 99 HA THR 99 0.505 0.736 5.316 630 HB THR 99 HB THR 99 -1.248 2.448 5.426 631 HG1 THR 99 1HG THR 99 0.584 3.226 4.520 632 HG21 THR 99 3HG2 THR 99 -0.016 3.201 8.076 633 HG22 THR 99 1HG2 THR 99 -1.618 2.503 7.839 634 HG23 THR 99 2HG2 THR 99 -1.259 4.118 7.224 635 H TYR 100 H TYR 100 2.615 1.388 5.620 636 HA TYR 100 HA TYR 100 3.576 1.547 8.392 637 HB2 TYR 100 2HB TYR 100 4.977 -0.110 6.279 638 HB3 TYR 100 1HB TYR 100 5.386 0.014 7.983 639 HD1 TYR 100 2HD TYR 100 4.053 -1.159 9.673 640 HD2 TYR 100 1HD TYR 100 3.181 -1.536 5.527 641 HE1 TYR 100 2HE TYR 100 2.653 -3.126 10.149 642 HE2 TYR 100 1HE TYR 100 1.785 -3.503 5.992 643 HH TYR 100 HH TYR 100 1.545 -5.225 7.713 644 H GLN 101 H GLN 101 5.735 2.513 8.557 645 HA GLN 101 HA GLN 101 7.296 4.091 8.091 646 HB2 GLN 101 1HB GLN 101 6.802 2.935 5.371 647 HB3 GLN 101 2HB GLN 101 7.896 4.293 5.579 648 HG2 GLN 101 1HG GLN 101 8.157 1.732 7.108 649 HG3 GLN 101 2HG GLN 101 8.946 2.017 5.562 650 HE21 GLN 101 2HE2 GLN 101 9.322 4.861 6.176 651 HE22 GLN 101 1HE2 GLN 101 10.651 4.928 7.264 652 H HIS 102 H HIS 102 4.395 4.739 8.067 653 HA HIS 102 HA HIS 102 3.070 6.546 7.862 654 HB2 HIS 102 1HB HIS 102 5.738 7.892 7.500 655 HB3 HIS 102 2HB HIS 102 4.223 8.787 7.566 656 HD1 HIS 102 HD1 HIS 102 3.175 9.150 9.847 657 HD2 HIS 102 HD2 HIS 102 6.462 6.610 9.951 658 HE1 HIS 102 HE1 HIS 102 3.690 8.812 12.281 659 HE2 HIS 102 HE2 HIS 102 5.790 7.425 12.311 660 H GLY 103 H GLY 103 4.211 5.069 5.326 661 HA2 GLY 103 1HA GLY 103 2.339 5.608 3.569 662 HA3 GLY 103 2HA GLY 103 3.326 7.044 3.368 663 H LEU 104 H LEU 104 5.832 5.512 3.835 664 HA LEU 104 HA LEU 104 6.610 5.224 1.229 665 HB2 LEU 104 1HB LEU 104 7.761 3.597 3.484 666 HB3 LEU 104 2HB LEU 104 8.562 4.049 1.996 667 HG LEU 104 HG LEU 104 7.902 5.782 4.355 668 HD11 LEU 104 1HD1 LEU 104 10.259 6.254 4.322 669 HD12 LEU 104 2HD1 LEU 104 10.454 5.317 2.841 670 HD13 LEU 104 3HD1 LEU 104 10.003 4.509 4.341 671 HD21 LEU 104 3HD2 LEU 104 7.184 7.065 2.482 672 HD22 LEU 104 1HD2 LEU 104 8.664 6.683 1.597 673 HD23 LEU 104 2HD2 LEU 104 8.737 7.685 3.047 674 H VAL 105 H VAL 105 5.378 2.680 3.353 675 HA VAL 105 HA VAL 105 4.758 1.122 0.924 676 HB VAL 105 HB VAL 105 5.026 -0.943 2.410 677 HG11 VAL 105 1HG1 VAL 105 7.431 -1.086 1.935 678 HG12 VAL 105 2HG1 VAL 105 7.464 0.648 1.620 679 HG13 VAL 105 3HG1 VAL 105 6.534 -0.419 0.571 680 HG21 VAL 105 3HG2 VAL 105 5.198 0.351 4.517 681 HG22 VAL 105 1HG2 VAL 105 6.778 0.926 3.991 682 HG23 VAL 105 2HG2 VAL 105 6.515 -0.795 4.279 683 H ASN 106 H ASN 106 2.800 0.329 0.824 684 HA ASN 106 HA ASN 106 1.001 0.516 3.140 685 HB2 ASN 106 1HB ASN 106 0.940 2.393 1.248 686 HB3 ASN 106 2HB ASN 106 0.036 1.159 0.380 687 HD21 ASN 106 2HD2 ASN 106 -1.723 2.575 0.392 688 HD22 ASN 106 1HD2 ASN 106 -2.717 2.733 1.792 689 H VAL 107 H VAL 107 -0.610 -1.216 3.122 690 HA VAL 107 HA VAL 107 0.070 -3.268 1.109 691 HB VAL 107 HB VAL 107 -0.211 -5.003 2.880 692 HG11 VAL 107 1HG1 VAL 107 2.025 -3.011 3.268 693 HG12 VAL 107 2HG1 VAL 107 2.002 -4.341 2.109 694 HG13 VAL 107 3HG1 VAL 107 2.033 -4.680 3.838 695 HG21 VAL 107 3HG2 VAL 107 -0.028 -2.647 4.744 696 HG22 VAL 107 1HG2 VAL 107 0.017 -4.346 5.212 697 HG23 VAL 107 2HG2 VAL 107 -1.444 -3.667 4.498 698 H GLY 108 H GLY 108 -1.422 -4.767 0.529 699 HA2 GLY 108 1HA GLY 108 -3.484 -5.674 0.122 700 HA3 GLY 108 2HA GLY 108 -3.951 -5.120 1.725 701 H CYS 109 H CYS 109 -3.052 -3.491 -1.311 702 HA CYS 109 HA CYS 109 -5.187 -1.581 -0.746 703 HB2 CYS 109 2HB CYS 109 -2.842 -1.479 -2.644 704 HB3 CYS 109 1HB CYS 109 -4.073 -0.230 -2.552 705 H THR 110 H THR 110 -6.982 -1.467 -1.863 706 HA THR 110 HA THR 110 -7.129 -2.739 -4.517 707 HB THR 110 HB THR 110 -9.627 -2.968 -3.957 708 HG1 THR 110 1HG THR 110 -8.587 -2.707 -1.306 709 HG21 THR 110 3HG2 THR 110 -8.105 -4.885 -4.079 710 HG22 THR 110 1HG2 THR 110 -9.293 -5.091 -2.793 711 HG23 THR 110 2HG2 THR 110 -7.639 -4.622 -2.399 712 HA PRO 111 HA PRO 111 -7.883 1.441 -5.955 713 HB2 PRO 111 2HB PRO 111 -9.326 -0.039 -8.093 714 HB3 PRO 111 1HB PRO 111 -8.087 1.213 -8.227 715 HG2 PRO 111 2HG PRO 111 -7.492 -1.343 -8.683 716 HG3 PRO 111 1HG PRO 111 -6.351 -0.271 -7.849 717 HD2 PRO 111 2HD PRO 111 -8.101 -2.416 -6.734 718 HD3 PRO 111 1HD PRO 111 -6.477 -1.904 -6.236 719 H ILE 112 H ILE 112 -9.363 2.626 -4.971 720 HA ILE 112 HA ILE 112 -12.120 1.633 -4.858 721 HB ILE 112 HB ILE 112 -11.263 2.025 -2.652 722 HG12 ILE 112 1HG1 ILE 112 -13.084 4.292 -3.483 723 HG13 ILE 112 2HG1 ILE 112 -13.590 2.673 -3.026 724 HG21 ILE 112 1HG2 ILE 112 -10.575 4.808 -3.566 725 HG22 ILE 112 2HG2 ILE 112 -9.433 3.520 -3.186 726 HG23 ILE 112 3HG2 ILE 112 -10.444 4.206 -1.915 727 HD11 ILE 112 3HD1 ILE 112 -13.955 4.228 -1.215 728 HD12 ILE 112 1HD1 ILE 112 -12.250 4.683 -1.234 729 HD13 ILE 112 2HD1 ILE 112 -12.721 3.048 -0.770 730 H ASN 113 H ASN 113 -13.606 2.579 -6.069 731 HA ASN 113 HA ASN 113 -12.944 5.120 -7.344 732 HB2 ASN 113 1HB ASN 113 -15.150 3.131 -7.909 733 HB3 ASN 113 2HB ASN 113 -14.935 4.646 -8.779 734 HD21 ASN 113 2HD2 ASN 113 -13.737 1.443 -8.264 735 HD22 ASN 113 1HD2 ASN 113 -12.632 1.414 -9.593 736 H ILE 114 H ILE 114 -13.358 6.685 -5.891 737 HA ILE 114 HA ILE 114 -15.944 6.700 -4.541 738 HB ILE 114 HB ILE 114 -14.861 8.920 -3.561 739 HG12 ILE 114 1HG1 ILE 114 -12.432 8.518 -3.131 740 HG13 ILE 114 2HG1 ILE 114 -12.474 7.209 -4.305 741 HG21 ILE 114 1HG2 ILE 114 -14.199 6.127 -2.652 742 HG22 ILE 114 2HG2 ILE 114 -15.651 7.048 -2.255 743 HG23 ILE 114 3HG2 ILE 114 -14.077 7.580 -1.661 744 HD11 ILE 114 3HD1 ILE 114 -11.557 9.156 -5.331 745 HD12 ILE 114 1HD1 ILE 114 -12.934 10.130 -4.818 746 HD13 ILE 114 2HD1 ILE 114 -13.156 8.858 -6.015 747 H GLY 115 H GLY 115 -14.398 8.022 -7.241 748 HA2 GLY 115 1HA GLY 115 -15.366 9.179 -8.974 749 HA3 GLY 115 2HA GLY 115 -16.859 9.220 -8.054 750 H LEU 116 H LEU 116 -14.240 10.455 -6.291 751 HA LEU 116 HA LEU 116 -15.290 13.141 -6.567 752 HB2 LEU 116 1HB LEU 116 -12.913 12.239 -4.936 753 HB3 LEU 116 2HB LEU 116 -13.820 13.723 -4.748 754 HG LEU 116 HG LEU 116 -15.078 11.027 -4.270 755 HD11 LEU 116 1HD1 LEU 116 -14.609 11.348 -1.894 756 HD12 LEU 116 2HD1 LEU 116 -13.665 12.789 -2.274 757 HD13 LEU 116 3HD1 LEU 116 -13.121 11.206 -2.830 758 HD21 LEU 116 3HD2 LEU 116 -16.737 12.708 -4.450 759 HD22 LEU 116 1HD2 LEU 116 -15.774 13.859 -3.521 760 HD23 LEU 116 2HD2 LEU 116 -16.489 12.462 -2.725 Start of MODEL 13 1 H1 LYS 10 1H LYS 10 -42.552 -16.382 -0.135 2 H2 LYS 10 2H LYS 10 -43.381 -14.999 -0.640 3 H3 LYS 10 3H LYS 10 -43.196 -15.319 1.009 4 HA LYS 10 HA LYS 10 -40.840 -15.016 0.865 5 HB2 LYS 10 1HB LYS 10 -39.802 -14.259 -1.207 6 HB3 LYS 10 2HB LYS 10 -40.584 -15.812 -1.454 7 HG2 LYS 10 1HG LYS 10 -42.492 -14.670 -2.492 8 HG3 LYS 10 2HG LYS 10 -41.668 -13.126 -2.276 9 HD2 LYS 10 1HD LYS 10 -41.325 -13.862 -4.534 10 HD3 LYS 10 2HD LYS 10 -39.797 -14.010 -3.666 11 HE2 LYS 10 1HE LYS 10 -40.200 -16.398 -3.353 12 HE3 LYS 10 2HE LYS 10 -41.741 -16.255 -4.197 13 HZ1 LYS 10 3HZ LYS 10 -40.546 -15.588 -6.185 14 HZ2 LYS 10 1HZ LYS 10 -40.007 -17.099 -5.645 15 HZ3 LYS 10 2HZ LYS 10 -39.070 -15.718 -5.372 16 H ALA 11 H ALA 11 -39.785 -12.780 0.483 17 HA ALA 11 HA ALA 11 -39.767 -10.579 1.015 18 HB1 ALA 11 3HB ALA 11 -42.389 -10.564 -0.471 19 HB2 ALA 11 1HB ALA 11 -40.790 -10.292 -1.156 20 HB3 ALA 11 2HB ALA 11 -41.467 -9.131 -0.016 21 H MET 12 H MET 12 -40.924 -12.451 2.913 22 HA MET 12 HA MET 12 -42.690 -10.597 4.374 23 HB2 MET 12 1HB MET 12 -42.440 -13.601 4.641 24 HB3 MET 12 2HB MET 12 -43.465 -12.582 5.643 25 HG2 MET 12 1HG MET 12 -44.787 -11.959 3.716 26 HG3 MET 12 2HG MET 12 -43.717 -12.877 2.658 27 HE1 MET 12 3HE MET 12 -46.519 -14.762 5.805 28 HE2 MET 12 1HE MET 12 -46.425 -13.033 5.472 29 HE3 MET 12 2HE MET 12 -45.071 -13.857 6.242 30 H ALA 13 H ALA 13 -39.632 -11.845 4.165 31 HA ALA 13 HA ALA 13 -38.988 -10.849 6.848 32 HB1 ALA 13 3HB ALA 13 -37.333 -12.623 7.151 33 HB2 ALA 13 1HB ALA 13 -37.815 -13.347 5.617 34 HB3 ALA 13 2HB ALA 13 -38.950 -13.299 6.964 35 H ASP 14 H ASP 14 -36.524 -10.463 6.973 36 HA ASP 14 HA ASP 14 -34.743 -9.242 6.268 37 HB2 ASP 14 1HB ASP 14 -35.335 -10.707 3.696 38 HB3 ASP 14 2HB ASP 14 -33.967 -9.618 3.874 39 H ILE 15 H ILE 15 -37.323 -8.014 6.229 40 HA ILE 15 HA ILE 15 -37.247 -6.274 3.888 41 HB ILE 15 HB ILE 15 -39.229 -6.291 6.174 42 HG12 ILE 15 1HG1 ILE 15 -39.430 -7.494 3.403 43 HG13 ILE 15 2HG1 ILE 15 -39.271 -8.398 4.904 44 HG21 ILE 15 1HG2 ILE 15 -39.280 -4.916 3.493 45 HG22 ILE 15 2HG2 ILE 15 -39.175 -4.150 5.076 46 HG23 ILE 15 3HG2 ILE 15 -40.645 -5.001 4.607 47 HD11 ILE 15 3HD1 ILE 15 -41.593 -6.651 4.126 48 HD12 ILE 15 1HD1 ILE 15 -41.436 -7.540 5.640 49 HD13 ILE 15 2HD1 ILE 15 -41.558 -8.415 4.114 50 H GLY 16 H GLY 16 -36.616 -6.276 7.316 51 HA2 GLY 16 1HA GLY 16 -34.943 -4.852 8.241 52 HA3 GLY 16 2HA GLY 16 -35.303 -3.669 6.991 53 H SER 17 H SER 17 -37.896 -5.224 8.662 54 HA SER 17 HA SER 17 -38.843 -2.688 9.639 55 HB2 SER 17 1HB SER 17 -40.352 -4.457 8.714 56 HB3 SER 17 2HB SER 17 -39.976 -5.460 10.113 57 HG SER 17 HG SER 17 -41.260 -2.924 10.113 58 H THR 18 H THR 18 -36.946 -5.250 10.851 59 HA THR 18 HA THR 18 -37.190 -4.174 13.579 60 HB THR 18 HB THR 18 -36.569 -7.051 12.884 61 HG1 THR 18 1HG THR 18 -38.658 -7.349 12.802 62 HG21 THR 18 3HG2 THR 18 -36.977 -7.439 15.275 63 HG22 THR 18 1HG2 THR 18 -37.235 -5.711 15.509 64 HG23 THR 18 2HG2 THR 18 -35.648 -6.308 15.023 65 H ALA 19 H ALA 19 -35.046 -6.089 11.459 66 HA ALA 19 HA ALA 19 -32.771 -4.539 12.446 67 HB1 ALA 19 3HB ALA 19 -32.891 -6.527 13.861 68 HB2 ALA 19 1HB ALA 19 -31.457 -6.554 12.836 69 HB3 ALA 19 2HB ALA 19 -32.852 -7.553 12.427 70 H VAL 20 H VAL 20 -30.815 -4.897 11.124 71 HA VAL 20 HA VAL 20 -30.902 -6.178 8.615 72 HB VAL 20 HB VAL 20 -32.499 -4.446 8.010 73 HG11 VAL 20 1HG1 VAL 20 -30.380 -2.449 8.790 74 HG12 VAL 20 2HG1 VAL 20 -31.884 -2.757 9.656 75 HG13 VAL 20 3HG1 VAL 20 -31.927 -2.078 8.030 76 HG21 VAL 20 3HG2 VAL 20 -30.992 -5.162 6.269 77 HG22 VAL 20 1HG2 VAL 20 -29.788 -3.979 6.782 78 HG23 VAL 20 2HG2 VAL 20 -31.319 -3.439 6.097 79 HA PRO 21 HA PRO 21 -26.592 -5.357 9.523 80 HB2 PRO 21 2HB PRO 21 -25.927 -6.624 6.986 81 HB3 PRO 21 1HB PRO 21 -25.632 -7.199 8.626 82 HG2 PRO 21 2HG PRO 21 -27.420 -8.368 6.960 83 HG3 PRO 21 1HG PRO 21 -27.616 -8.348 8.721 84 HD2 PRO 21 2HD PRO 21 -28.918 -6.619 6.650 85 HD3 PRO 21 1HD PRO 21 -29.622 -7.376 8.093 86 H ARG 22 H ARG 22 -28.308 -3.527 7.684 87 HA ARG 22 HA ARG 22 -26.025 -2.068 6.582 88 HB2 ARG 22 1HB ARG 22 -28.563 -2.692 5.055 89 HB3 ARG 22 2HB ARG 22 -27.358 -1.523 4.540 90 HG2 ARG 22 1HG ARG 22 -25.697 -3.295 4.363 91 HG3 ARG 22 2HG ARG 22 -26.892 -4.474 4.905 92 HD2 ARG 22 1HD ARG 22 -26.692 -4.544 2.492 93 HD3 ARG 22 2HD ARG 22 -28.282 -3.937 2.951 94 HE ARG 22 HE ARG 22 -26.287 -1.903 2.434 95 HH11 ARG 22 1HH1 ARG 22 -28.879 -3.849 1.133 96 HH12 ARG 22 2HH1 ARG 22 -29.146 -2.816 -0.231 97 HH21 ARG 22 1HH2 ARG 22 -26.632 -0.527 0.651 98 HH22 ARG 22 2HH2 ARG 22 -27.868 -0.915 -0.505 99 H ASP 23 H ASP 23 -26.271 -0.658 8.332 100 HA ASP 23 HA ASP 23 -28.819 0.635 8.791 101 HB2 ASP 23 1HB ASP 23 -27.674 1.803 10.609 102 HB3 ASP 23 2HB ASP 23 -27.368 0.073 10.696 103 H VAL 24 H VAL 24 -28.999 2.982 8.879 104 HA VAL 24 HA VAL 24 -27.384 4.299 6.793 105 HB VAL 24 HB VAL 24 -30.223 4.969 7.585 106 HG11 VAL 24 1HG1 VAL 24 -28.532 5.918 5.282 107 HG12 VAL 24 2HG1 VAL 24 -28.993 6.864 6.697 108 HG13 VAL 24 3HG1 VAL 24 -30.224 6.331 5.554 109 HG21 VAL 24 3HG2 VAL 24 -29.225 3.428 5.197 110 HG22 VAL 24 1HG2 VAL 24 -30.883 3.983 5.429 111 HG23 VAL 24 2HG2 VAL 24 -30.189 2.792 6.528 112 H ASN 25 H ASN 25 -26.217 5.984 7.454 113 HA ASN 25 HA ASN 25 -26.243 6.802 10.193 114 HB2 ASN 25 1HB ASN 25 -24.187 6.699 8.761 115 HB3 ASN 25 2HB ASN 25 -24.793 8.090 7.870 116 HD21 ASN 25 2HD2 ASN 25 -23.132 9.433 8.417 117 HD22 ASN 25 1HD2 ASN 25 -22.885 10.027 10.027 118 H GLY 26 H GLY 26 -27.602 7.996 7.232 119 HA2 GLY 26 1HA GLY 26 -29.507 9.446 7.262 120 HA3 GLY 26 2HA GLY 26 -28.904 10.149 8.756 121 H GLY 27 H GLY 27 -26.913 9.535 5.957 122 HA2 GLY 27 1HA GLY 27 -26.833 11.556 4.338 123 HA3 GLY 27 2HA GLY 27 -26.378 12.415 5.801 124 H THR 28 H THR 28 -25.479 9.283 4.356 125 HA THR 28 HA THR 28 -22.744 10.172 4.066 126 HB THR 28 HB THR 28 -23.407 7.896 5.917 127 HG1 THR 28 1HG THR 28 -23.118 10.516 6.360 128 HG21 THR 28 3HG2 THR 28 -21.429 7.365 4.643 129 HG22 THR 28 1HG2 THR 28 -20.972 7.773 6.301 130 HG23 THR 28 2HG2 THR 28 -20.738 8.951 5.009 131 HA PRO 29 HA PRO 29 -22.925 6.787 1.093 132 HB2 PRO 29 2HB PRO 29 -21.172 7.814 -0.595 133 HB3 PRO 29 1HB PRO 29 -22.733 8.618 -0.368 134 HG2 PRO 29 2HG PRO 29 -20.042 9.382 0.669 135 HG3 PRO 29 1HG PRO 29 -21.384 10.417 0.160 136 HD2 PRO 29 2HD PRO 29 -20.747 9.609 2.832 137 HD3 PRO 29 1HD PRO 29 -22.164 10.527 2.283 138 HA PRO 30 HA PRO 30 -19.012 5.427 3.430 139 HB2 PRO 30 2HB PRO 30 -20.549 2.920 3.657 140 HB3 PRO 30 1HB PRO 30 -19.678 3.821 4.899 141 HG2 PRO 30 2HG PRO 30 -22.351 3.783 4.814 142 HG3 PRO 30 1HG PRO 30 -21.447 5.221 5.321 143 HD2 PRO 30 2HD PRO 30 -22.788 4.651 2.718 144 HD3 PRO 30 1HD PRO 30 -22.699 6.165 3.623 145 H LYS 31 H LYS 31 -18.177 5.570 1.218 146 HA LYS 31 HA LYS 31 -18.116 2.980 -0.168 147 HB2 LYS 31 1HB LYS 31 -17.298 5.727 -1.076 148 HB3 LYS 31 2HB LYS 31 -17.083 4.274 -2.032 149 HG2 LYS 31 1HG LYS 31 -19.462 3.962 -2.180 150 HG3 LYS 31 2HG LYS 31 -19.743 5.319 -1.083 151 HD2 LYS 31 1HD LYS 31 -18.788 6.857 -2.695 152 HD3 LYS 31 2HD LYS 31 -18.387 5.520 -3.774 153 HE2 LYS 31 1HE LYS 31 -21.181 6.269 -2.921 154 HE3 LYS 31 2HE LYS 31 -20.431 6.756 -4.440 155 HZ1 LYS 31 3HZ LYS 31 -21.040 3.982 -3.573 156 HZ2 LYS 31 1HZ LYS 31 -20.174 4.375 -4.974 157 HZ3 LYS 31 2HZ LYS 31 -21.789 4.847 -4.817 158 H SER 32 H SER 32 -16.399 4.963 1.920 159 HA SER 32 HA SER 32 -13.752 4.281 1.034 160 HB2 SER 32 1HB SER 32 -13.101 5.482 3.176 161 HB3 SER 32 2HB SER 32 -14.012 6.441 2.008 162 HG SER 32 HG SER 32 -14.640 5.815 4.552 163 H CYS 33 H CYS 33 -12.371 3.786 3.339 164 HA CYS 33 HA CYS 33 -12.908 1.005 3.741 165 HB2 CYS 33 2HB CYS 33 -10.937 2.748 5.235 166 HB3 CYS 33 1HB CYS 33 -10.874 1.001 5.031 167 H SER 34 H SER 34 -13.955 0.059 5.402 168 HA SER 34 HA SER 34 -15.522 1.712 7.129 169 HB2 SER 34 1HB SER 34 -15.171 -1.296 7.138 170 HB3 SER 34 2HB SER 34 -16.456 -0.397 7.942 171 HG SER 34 HG SER 34 -17.396 0.016 6.052 172 H SER 35 H SER 35 -12.440 0.278 7.323 173 HA SER 35 HA SER 35 -12.367 0.128 10.203 174 HB2 SER 35 1HB SER 35 -10.120 -0.148 8.193 175 HB3 SER 35 2HB SER 35 -10.066 -0.613 9.895 176 HG SER 35 HG SER 35 -12.179 -1.800 8.899 177 H GLY 36 H GLY 36 -11.812 2.554 7.835 178 HA2 GLY 36 1HA GLY 36 -11.720 4.722 9.343 179 HA3 GLY 36 2HA GLY 36 -10.100 4.107 9.617 180 HA PRO 37 HA PRO 37 -9.405 7.188 6.376 181 HB2 PRO 37 2HB PRO 37 -6.643 6.201 6.783 182 HB3 PRO 37 1HB PRO 37 -7.257 7.854 6.770 183 HG2 PRO 37 2HG PRO 37 -6.579 6.630 9.053 184 HG3 PRO 37 1HG PRO 37 -7.938 7.764 8.967 185 HD2 PRO 37 2HD PRO 37 -7.955 4.796 9.151 186 HD3 PRO 37 1HD PRO 37 -9.112 5.984 9.785 187 H VAL 38 H VAL 38 -8.815 7.198 4.286 188 HA VAL 38 HA VAL 38 -8.280 4.631 2.966 189 HB VAL 38 HB VAL 38 -9.138 7.319 1.832 190 HG11 VAL 38 1HG1 VAL 38 -8.844 4.670 0.424 191 HG12 VAL 38 2HG1 VAL 38 -7.823 6.091 0.196 192 HG13 VAL 38 3HG1 VAL 38 -9.523 6.141 -0.274 193 HG21 VAL 38 3HG2 VAL 38 -10.877 6.235 3.128 194 HG22 VAL 38 1HG2 VAL 38 -10.661 4.755 2.197 195 HG23 VAL 38 2HG2 VAL 38 -11.272 6.210 1.409 196 H TYR 39 H TYR 39 -6.630 4.892 1.054 197 HA TYR 39 HA TYR 39 -4.550 6.799 1.877 198 HB2 TYR 39 2HB TYR 39 -4.066 3.957 0.995 199 HB3 TYR 39 1HB TYR 39 -2.825 5.135 1.378 200 HD1 TYR 39 1HD TYR 39 -2.479 5.873 3.707 201 HD2 TYR 39 2HD TYR 39 -5.252 2.798 2.726 202 HE1 TYR 39 1HE TYR 39 -2.520 5.166 6.061 203 HE2 TYR 39 2HE TYR 39 -5.301 2.087 5.079 204 HH TYR 39 HH TYR 39 -3.870 2.223 7.072 205 H CYS 40 H CYS 40 -3.703 7.983 0.340 206 HA CYS 40 HA CYS 40 -4.377 7.289 -2.424 207 HB2 CYS 40 2HB CYS 40 -4.062 9.676 -2.900 208 HB3 CYS 40 1HB CYS 40 -5.283 9.411 -1.692 209 H CYS 41 H CYS 41 -2.806 6.243 -3.361 210 HA CYS 41 HA CYS 41 -0.024 6.789 -2.616 211 HB2 CYS 41 2HB CYS 41 -1.255 4.528 -4.211 212 HB3 CYS 41 1HB CYS 41 0.442 4.654 -3.761 213 H ASN 42 H ASN 42 1.385 7.660 -3.963 214 HA ASN 42 HA ASN 42 0.793 8.925 -6.368 215 HB2 ASN 42 1HB ASN 42 2.835 9.353 -5.103 216 HB3 ASN 42 2HB ASN 42 3.388 7.709 -5.391 217 HD21 ASN 42 2HD2 ASN 42 1.908 9.968 -7.683 218 HD22 ASN 42 1HD2 ASN 42 3.285 10.078 -8.724 219 H LYS 43 H LYS 43 1.509 5.656 -5.616 220 HA LYS 43 HA LYS 43 0.478 4.624 -8.039 221 HB2 LYS 43 1HB LYS 43 2.706 5.243 -8.867 222 HB3 LYS 43 2HB LYS 43 3.452 4.389 -7.529 223 HG2 LYS 43 1HG LYS 43 3.658 3.004 -9.434 224 HG3 LYS 43 2HG LYS 43 2.414 2.282 -8.414 225 HD2 LYS 43 1HD LYS 43 1.660 2.214 -10.689 226 HD3 LYS 43 2HD LYS 43 0.698 3.413 -9.825 227 HE2 LYS 43 1HE LYS 43 1.360 4.237 -12.024 228 HE3 LYS 43 2HE LYS 43 2.086 5.199 -10.740 229 HZ1 LYS 43 3HZ LYS 43 4.146 3.943 -11.037 230 HZ2 LYS 43 1HZ LYS 43 3.689 4.723 -12.466 231 HZ3 LYS 43 2HZ LYS 43 3.441 3.059 -12.294 232 H THR 44 H THR 44 -0.347 2.585 -7.494 233 HA THR 44 HA THR 44 0.722 1.369 -5.071 234 HB THR 44 HB THR 44 -0.996 -0.437 -5.577 235 HG1 THR 44 1HG THR 44 -2.652 1.130 -6.966 236 HG21 THR 44 3HG2 THR 44 -2.728 0.812 -4.519 237 HG22 THR 44 1HG2 THR 44 -2.068 2.340 -5.104 238 HG23 THR 44 2HG2 THR 44 -1.187 1.397 -3.901 239 H GLU 45 H GLU 45 1.553 -0.713 -5.015 240 HA GLU 45 HA GLU 45 2.838 -1.463 -7.553 241 HB2 GLU 45 1HB GLU 45 4.254 -0.571 -5.598 242 HB3 GLU 45 2HB GLU 45 3.926 -2.116 -4.827 243 HG2 GLU 45 1HG GLU 45 6.062 -2.154 -5.963 244 HG3 GLU 45 2HG GLU 45 4.935 -3.272 -6.727 245 H ASP 46 H ASP 46 2.699 -3.520 -8.213 246 HA ASP 46 HA ASP 46 0.476 -4.996 -7.245 247 HB2 ASP 46 1HB ASP 46 2.564 -5.537 -9.335 248 HB3 ASP 46 2HB ASP 46 1.383 -6.764 -8.893 249 H SER 47 H SER 47 0.448 -6.166 -5.468 250 HA SER 47 HA SER 47 2.706 -7.000 -4.037 251 HB2 SER 47 1HB SER 47 -0.125 -8.076 -3.967 252 HB3 SER 47 2HB SER 47 1.110 -8.419 -2.760 253 HG SER 47 HG SER 47 1.062 -5.818 -3.024 254 H LYS 48 H LYS 48 1.369 -8.339 -6.842 255 HA LYS 48 HA LYS 48 2.188 -11.026 -6.406 256 HB2 LYS 48 1HB LYS 48 1.350 -9.559 -8.907 257 HB3 LYS 48 2HB LYS 48 1.711 -11.274 -8.849 258 HG2 LYS 48 1HG LYS 48 -0.590 -11.128 -8.722 259 HG3 LYS 48 2HG LYS 48 -0.054 -11.415 -7.075 260 HD2 LYS 48 1HD LYS 48 -1.779 -9.770 -7.020 261 HD3 LYS 48 2HD LYS 48 -0.237 -9.004 -6.640 262 HE2 LYS 48 1HE LYS 48 -1.577 -7.624 -8.160 263 HE3 LYS 48 2HE LYS 48 -0.081 -8.158 -8.923 264 HZ1 LYS 48 3HZ LYS 48 -2.010 -8.342 -10.395 265 HZ2 LYS 48 1HZ LYS 48 -2.738 -9.423 -9.320 266 HZ3 LYS 48 2HZ LYS 48 -1.303 -9.848 -10.107 267 H HIS 49 H HIS 49 3.454 -8.143 -7.857 268 HA HIS 49 HA HIS 49 6.047 -9.427 -8.267 269 HB2 HIS 49 1HB HIS 49 4.461 -7.938 -10.347 270 HB3 HIS 49 2HB HIS 49 6.189 -8.180 -10.472 271 HD1 HIS 49 HD1 HIS 49 6.987 -10.399 -11.376 272 HD2 HIS 49 HD2 HIS 49 2.919 -10.363 -10.531 273 HE1 HIS 49 HE1 HIS 49 6.078 -12.541 -12.325 274 HE2 HIS 49 HE2 HIS 49 3.637 -12.551 -11.700 275 H LEU 50 H LEU 50 5.978 -7.923 -6.164 276 HA LEU 50 HA LEU 50 6.445 -5.189 -6.508 277 HB2 LEU 50 1HB LEU 50 7.526 -7.124 -4.473 278 HB3 LEU 50 2HB LEU 50 7.753 -5.400 -4.391 279 HG LEU 50 HG LEU 50 5.993 -5.771 -2.942 280 HD11 LEU 50 1HD1 LEU 50 4.641 -5.172 -5.541 281 HD12 LEU 50 2HD1 LEU 50 5.493 -4.000 -4.535 282 HD13 LEU 50 3HD1 LEU 50 4.042 -4.793 -3.928 283 HD21 LEU 50 3HD2 LEU 50 4.566 -7.521 -4.878 284 HD22 LEU 50 1HD2 LEU 50 4.244 -7.266 -3.161 285 HD23 LEU 50 2HD2 LEU 50 5.691 -8.141 -3.670 286 H ASP 51 H ASP 51 8.311 -4.013 -6.762 287 HA ASP 51 HA ASP 51 10.477 -5.322 -8.164 288 HB2 ASP 51 1HB ASP 51 9.712 -2.486 -7.627 289 HB3 ASP 51 2HB ASP 51 11.384 -2.840 -8.032 290 H LYS 52 H LYS 52 12.788 -4.538 -7.525 291 HA LYS 52 HA LYS 52 13.351 -5.692 -5.026 292 HB2 LYS 52 1HB LYS 52 15.087 -3.878 -6.701 293 HB3 LYS 52 2HB LYS 52 15.640 -4.849 -5.342 294 HG2 LYS 52 1HG LYS 52 14.389 -5.989 -7.833 295 HG3 LYS 52 2HG LYS 52 16.125 -5.826 -7.581 296 HD2 LYS 52 1HD LYS 52 15.962 -7.266 -5.602 297 HD3 LYS 52 2HD LYS 52 14.229 -7.441 -5.880 298 HE2 LYS 52 1HE LYS 52 15.478 -9.368 -6.725 299 HE3 LYS 52 2HE LYS 52 14.659 -8.503 -8.024 300 HZ1 LYS 52 3HZ LYS 52 17.533 -8.216 -7.331 301 HZ2 LYS 52 1HZ LYS 52 16.738 -7.458 -8.615 302 HZ3 LYS 52 2HZ LYS 52 16.929 -9.138 -8.612 303 H GLY 53 H GLY 53 13.335 -2.301 -6.048 304 HA2 GLY 53 1HA GLY 53 14.268 -1.134 -3.709 305 HA3 GLY 53 2HA GLY 53 13.199 -0.349 -4.861 306 H THR 54 H THR 54 11.010 -2.191 -4.512 307 HA THR 54 HA THR 54 9.907 -1.052 -2.106 308 HB THR 54 HB THR 54 8.571 -3.064 -3.927 309 HG1 THR 54 1HG THR 54 9.345 -0.542 -4.491 310 HG21 THR 54 3HG2 THR 54 6.509 -1.955 -3.119 311 HG22 THR 54 1HG2 THR 54 7.494 -0.956 -2.047 312 HG23 THR 54 2HG2 THR 54 7.429 -2.704 -1.812 313 H THR 55 H THR 55 10.728 -4.267 -3.324 314 HA THR 55 HA THR 55 10.027 -5.827 -1.140 315 HB THR 55 HB THR 55 12.444 -6.084 -2.946 316 HG1 THR 55 1HG THR 55 10.612 -6.249 -4.176 317 HG21 THR 55 3HG2 THR 55 12.739 -7.398 -0.914 318 HG22 THR 55 1HG2 THR 55 12.457 -8.451 -2.301 319 HG23 THR 55 2HG2 THR 55 11.156 -8.143 -1.150 320 H ALA 56 H ALA 56 12.792 -3.759 -1.682 321 HA ALA 56 HA ALA 56 14.362 -4.351 0.522 322 HB1 ALA 56 3HB ALA 56 15.239 -2.064 0.274 323 HB2 ALA 56 1HB ALA 56 13.897 -1.688 -0.809 324 HB3 ALA 56 2HB ALA 56 15.092 -2.899 -1.275 325 H LEU 57 H LEU 57 11.797 -1.848 0.317 326 HA LEU 57 HA LEU 57 12.033 -0.968 2.983 327 HB2 LEU 57 1HB LEU 57 9.558 -0.971 1.261 328 HB3 LEU 57 2HB LEU 57 9.749 -0.079 2.752 329 HG LEU 57 HG LEU 57 10.353 1.653 1.515 330 HD11 LEU 57 1HD1 LEU 57 12.728 0.083 0.569 331 HD12 LEU 57 2HD1 LEU 57 12.616 0.799 2.178 332 HD13 LEU 57 3HD1 LEU 57 12.592 1.834 0.745 333 HD21 LEU 57 3HD2 LEU 57 10.856 -0.125 -0.844 334 HD22 LEU 57 1HD2 LEU 57 10.470 1.595 -0.854 335 HD23 LEU 57 2HD2 LEU 57 9.246 0.416 -0.366 336 H LEU 58 H LEU 58 9.913 -3.302 1.461 337 HA LEU 58 HA LEU 58 8.429 -4.059 3.700 338 HB2 LEU 58 1HB LEU 58 9.289 -5.849 1.437 339 HB3 LEU 58 2HB LEU 58 7.873 -6.042 2.452 340 HG LEU 58 HG LEU 58 8.296 -3.759 0.510 341 HD11 LEU 58 1HD1 LEU 58 6.555 -6.212 0.317 342 HD12 LEU 58 2HD1 LEU 58 8.003 -5.887 -0.636 343 HD13 LEU 58 3HD1 LEU 58 6.575 -4.867 -0.827 344 HD21 LEU 58 3HD2 LEU 58 6.893 -3.148 2.410 345 HD22 LEU 58 1HD2 LEU 58 5.886 -4.572 2.140 346 HD23 LEU 58 2HD2 LEU 58 5.933 -3.283 0.936 347 H GLY 59 H GLY 59 11.481 -5.283 2.409 348 HA2 GLY 59 1HA GLY 59 11.892 -7.307 4.302 349 HA3 GLY 59 2HA GLY 59 13.154 -6.496 3.394 350 H LEU 60 H LEU 60 12.532 -3.846 4.466 351 HA LEU 60 HA LEU 60 14.154 -3.847 6.775 352 HB2 LEU 60 1HB LEU 60 12.155 -1.720 5.992 353 HB3 LEU 60 2HB LEU 60 13.548 -1.514 7.033 354 HG LEU 60 HG LEU 60 13.509 -1.896 4.048 355 HD11 LEU 60 1HD1 LEU 60 14.644 0.248 5.835 356 HD12 LEU 60 2HD1 LEU 60 13.175 0.367 4.866 357 HD13 LEU 60 3HD1 LEU 60 14.743 0.207 4.075 358 HD21 LEU 60 3HD2 LEU 60 15.896 -1.976 5.888 359 HD22 LEU 60 1HD2 LEU 60 15.940 -1.985 4.125 360 HD23 LEU 60 2HD2 LEU 60 15.231 -3.345 5.000 361 H LEU 61 H LEU 61 10.701 -3.470 6.321 362 HA LEU 61 HA LEU 61 10.152 -3.329 9.152 363 HB2 LEU 61 1HB LEU 61 8.246 -3.566 6.828 364 HB3 LEU 61 2HB LEU 61 7.841 -3.073 8.461 365 HG LEU 61 HG LEU 61 9.904 -1.464 7.073 366 HD11 LEU 61 1HD1 LEU 61 8.193 -0.168 5.892 367 HD12 LEU 61 2HD1 LEU 61 6.985 -1.371 6.345 368 HD13 LEU 61 3HD1 LEU 61 8.322 -1.818 5.285 369 HD21 LEU 61 3HD2 LEU 61 7.498 -0.748 8.742 370 HD22 LEU 61 1HD2 LEU 61 8.773 0.352 8.217 371 HD23 LEU 61 2HD2 LEU 61 9.143 -0.950 9.351 372 H ASN 62 H ASN 62 10.838 -5.802 7.125 373 HA ASN 62 HA ASN 62 10.845 -8.049 7.382 374 HB2 ASN 62 1HB ASN 62 11.089 -7.380 9.856 375 HB3 ASN 62 2HB ASN 62 9.385 -7.786 9.985 376 HD21 ASN 62 2HD2 ASN 62 8.754 -9.910 9.937 377 HD22 ASN 62 1HD2 ASN 62 9.874 -11.225 9.985 378 H ILE 63 H ILE 63 8.790 -6.733 5.984 379 HA ILE 63 HA ILE 63 6.372 -8.250 6.483 380 HB ILE 63 HB ILE 63 7.095 -6.375 4.225 381 HG12 ILE 63 1HG1 ILE 63 5.230 -5.820 6.518 382 HG13 ILE 63 2HG1 ILE 63 6.959 -5.513 6.650 383 HG21 ILE 63 1HG2 ILE 63 5.347 -7.934 3.565 384 HG22 ILE 63 2HG2 ILE 63 4.682 -6.313 3.778 385 HG23 ILE 63 3HG2 ILE 63 4.428 -7.541 5.017 386 HD11 ILE 63 3HD1 ILE 63 6.862 -3.974 4.818 387 HD12 ILE 63 1HD1 ILE 63 5.672 -3.522 6.037 388 HD13 ILE 63 2HD1 ILE 63 5.155 -4.338 4.559 389 H LYS 64 H LYS 64 5.639 -9.916 5.231 390 HA LYS 64 HA LYS 64 7.690 -11.202 3.605 391 HB2 LYS 64 1HB LYS 64 6.070 -13.175 3.647 392 HB3 LYS 64 2HB LYS 64 6.864 -12.752 5.153 393 HG2 LYS 64 1HG LYS 64 4.199 -11.577 4.631 394 HG3 LYS 64 2HG LYS 64 4.280 -13.296 5.008 395 HD2 LYS 64 1HD LYS 64 5.579 -12.726 7.049 396 HD3 LYS 64 2HD LYS 64 5.325 -11.019 6.688 397 HE2 LYS 64 1HE LYS 64 3.126 -13.034 7.129 398 HE3 LYS 64 2HE LYS 64 3.732 -11.925 8.355 399 HZ1 LYS 64 3HZ LYS 64 1.725 -11.084 7.316 400 HZ2 LYS 64 1HZ LYS 64 2.454 -11.140 5.791 401 HZ3 LYS 64 2HZ LYS 64 3.033 -10.075 6.965 402 H ILE 65 H ILE 65 7.691 -11.020 1.542 403 HA ILE 65 HA ILE 65 5.712 -9.592 0.121 404 HB ILE 65 HB ILE 65 8.183 -11.082 -0.727 405 HG12 ILE 65 1HG1 ILE 65 8.890 -8.813 -1.463 406 HG13 ILE 65 2HG1 ILE 65 7.377 -8.173 -0.840 407 HG21 ILE 65 1HG2 ILE 65 7.861 -10.352 -3.013 408 HG22 ILE 65 2HG2 ILE 65 6.317 -9.623 -2.576 409 HG23 ILE 65 3HG2 ILE 65 6.513 -11.376 -2.509 410 HD11 ILE 65 3HD1 ILE 65 9.219 -7.751 0.687 411 HD12 ILE 65 1HD1 ILE 65 9.553 -9.479 0.780 412 HD13 ILE 65 2HD1 ILE 65 8.040 -8.840 1.421 413 H GLY 66 H GLY 66 6.437 -13.013 0.464 414 HA2 GLY 66 1HA GLY 66 4.804 -13.898 -1.689 415 HA3 GLY 66 2HA GLY 66 5.423 -14.893 -0.382 416 H ASP 67 H ASP 67 3.988 -12.747 1.408 417 HA ASP 67 HA ASP 67 1.438 -14.208 1.378 418 HB2 ASP 67 1HB ASP 67 2.826 -14.340 3.443 419 HB3 ASP 67 2HB ASP 67 2.669 -12.598 3.625 420 H LEU 68 H LEU 68 2.608 -11.452 0.176 421 HA LEU 68 HA LEU 68 0.683 -9.538 1.033 422 HB2 LEU 68 1HB LEU 68 2.471 -9.630 -1.393 423 HB3 LEU 68 2HB LEU 68 1.467 -8.257 -0.958 424 HG LEU 68 HG LEU 68 3.691 -9.370 0.746 425 HD11 LEU 68 1HD1 LEU 68 4.880 -7.326 0.147 426 HD12 LEU 68 2HD1 LEU 68 3.567 -6.875 -0.940 427 HD13 LEU 68 3HD1 LEU 68 4.537 -8.309 -1.275 428 HD21 LEU 68 3HD2 LEU 68 1.926 -6.946 1.042 429 HD22 LEU 68 1HD2 LEU 68 3.338 -7.301 2.038 430 HD23 LEU 68 2HD2 LEU 68 1.939 -8.374 2.072 431 H LYS 69 H LYS 69 -1.119 -8.757 -0.042 432 HA LYS 69 HA LYS 69 -2.478 -10.900 -1.485 433 HB2 LYS 69 1HB LYS 69 -3.458 -8.575 0.132 434 HB3 LYS 69 2HB LYS 69 -4.538 -9.426 -0.959 435 HG2 LYS 69 1HG LYS 69 -4.831 -10.316 1.234 436 HG3 LYS 69 2HG LYS 69 -4.010 -11.533 0.258 437 HD2 LYS 69 1HD LYS 69 -1.869 -10.877 1.251 438 HD3 LYS 69 2HD LYS 69 -2.694 -9.660 2.223 439 HE2 LYS 69 1HE LYS 69 -4.003 -11.437 3.304 440 HE3 LYS 69 2HE LYS 69 -3.137 -12.640 2.350 441 HZ1 LYS 69 3HZ LYS 69 -1.064 -11.875 3.403 442 HZ2 LYS 69 1HZ LYS 69 -2.172 -12.482 4.530 443 HZ3 LYS 69 2HZ LYS 69 -1.956 -10.814 4.373 444 H ASP 70 H ASP 70 -3.571 -7.576 -1.727 445 HA ASP 70 HA ASP 70 -3.759 -7.985 -4.594 446 HB2 ASP 70 1HB ASP 70 -5.295 -6.597 -2.645 447 HB3 ASP 70 2HB ASP 70 -4.750 -5.421 -3.838 448 H LEU 71 H LEU 71 -3.281 -4.838 -3.121 449 HA LEU 71 HA LEU 71 -0.782 -4.557 -4.660 450 HB2 LEU 71 1HB LEU 71 -2.865 -2.482 -4.023 451 HB3 LEU 71 2HB LEU 71 -1.265 -2.096 -4.608 452 HG LEU 71 HG LEU 71 -2.409 -1.958 -6.533 453 HD11 LEU 71 1HD1 LEU 71 -0.752 -3.626 -6.942 454 HD12 LEU 71 2HD1 LEU 71 -2.199 -3.995 -7.879 455 HD13 LEU 71 3HD1 LEU 71 -1.846 -4.902 -6.408 456 HD21 LEU 71 3HD2 LEU 71 -4.233 -4.203 -5.712 457 HD22 LEU 71 1HD2 LEU 71 -4.427 -3.131 -7.100 458 HD23 LEU 71 2HD2 LEU 71 -4.563 -2.486 -5.459 459 H VAL 72 H VAL 72 0.715 -3.038 -3.830 460 HA VAL 72 HA VAL 72 0.408 -2.375 -0.976 461 HB VAL 72 HB VAL 72 2.521 -2.948 -0.462 462 HG11 VAL 72 1HG1 VAL 72 1.903 -4.991 -1.498 463 HG12 VAL 72 2HG1 VAL 72 3.594 -4.688 -1.904 464 HG13 VAL 72 3HG1 VAL 72 2.330 -4.386 -3.096 465 HG21 VAL 72 3HG2 VAL 72 4.490 -2.570 -2.047 466 HG22 VAL 72 1HG2 VAL 72 3.643 -1.144 -1.431 467 HG23 VAL 72 2HG2 VAL 72 3.332 -1.720 -3.071 468 H GLY 73 H GLY 73 1.699 -0.234 -0.557 469 HA2 GLY 73 1HA GLY 73 1.510 1.459 -2.941 470 HA3 GLY 73 2HA GLY 73 0.670 1.934 -1.477 471 H LEU 74 H LEU 74 3.083 3.007 -3.106 472 HA LEU 74 HA LEU 74 4.831 3.191 -0.769 473 HB2 LEU 74 1HB LEU 74 6.735 3.518 -2.101 474 HB3 LEU 74 2HB LEU 74 5.878 2.170 -2.793 475 HG LEU 74 HG LEU 74 6.751 3.365 -4.598 476 HD11 LEU 74 1HD1 LEU 74 3.894 4.244 -4.357 477 HD12 LEU 74 2HD1 LEU 74 4.466 2.699 -4.984 478 HD13 LEU 74 3HD1 LEU 74 4.844 4.192 -5.841 479 HD21 LEU 74 3HD2 LEU 74 7.353 5.415 -3.447 480 HD22 LEU 74 1HD2 LEU 74 5.662 5.911 -3.422 481 HD23 LEU 74 2HD2 LEU 74 6.513 5.757 -4.959 482 H ASN 75 H ASN 75 5.091 4.979 0.217 483 HA ASN 75 HA ASN 75 4.896 7.131 0.883 484 HB2 ASN 75 1HB ASN 75 6.238 7.088 -1.558 485 HB3 ASN 75 2HB ASN 75 5.118 8.443 -1.677 486 HD21 ASN 75 2HD2 ASN 75 7.866 7.110 -0.074 487 HD22 ASN 75 1HD2 ASN 75 8.323 8.533 0.798 488 H CYS 76 H CYS 76 2.527 6.090 0.815 489 HA CYS 76 HA CYS 76 0.716 7.697 -0.805 490 HB2 CYS 76 2HB CYS 76 -0.056 5.647 1.265 491 HB3 CYS 76 1HB CYS 76 -0.979 6.189 -0.132 492 H SER 77 H SER 77 -0.942 8.963 0.142 493 HA SER 77 HA SER 77 -0.279 9.935 2.832 494 HB2 SER 77 1HB SER 77 -1.985 11.178 0.667 495 HB3 SER 77 2HB SER 77 -1.661 11.898 2.240 496 HG SER 77 HG SER 77 0.040 12.705 1.310 497 HA PRO 78 HA PRO 78 -3.963 7.830 4.249 498 HB2 PRO 78 2HB PRO 78 -3.616 9.232 6.776 499 HB3 PRO 78 1HB PRO 78 -3.428 7.513 6.428 500 HG2 PRO 78 2HG PRO 78 -1.339 9.136 7.037 501 HG3 PRO 78 1HG PRO 78 -1.187 7.711 5.993 502 HD2 PRO 78 2HD PRO 78 -1.393 10.603 5.238 503 HD3 PRO 78 1HD PRO 78 -0.368 9.324 4.553 504 H LEU 79 H LEU 79 -5.881 8.492 3.661 505 HA LEU 79 HA LEU 79 -6.687 11.279 4.021 506 HB2 LEU 79 1HB LEU 79 -8.320 9.131 2.702 507 HB3 LEU 79 2HB LEU 79 -8.332 10.856 2.397 508 HG LEU 79 HG LEU 79 -6.042 9.029 1.660 509 HD11 LEU 79 1HD1 LEU 79 -8.270 10.098 -0.051 510 HD12 LEU 79 2HD1 LEU 79 -7.984 8.411 0.382 511 HD13 LEU 79 3HD1 LEU 79 -6.833 9.268 -0.644 512 HD21 LEU 79 3HD2 LEU 79 -6.646 11.902 0.993 513 HD22 LEU 79 1HD2 LEU 79 -5.401 10.932 0.190 514 HD23 LEU 79 2HD2 LEU 79 -5.284 11.276 1.922 515 H SER 80 H SER 80 -7.124 11.361 6.222 516 HA SER 80 HA SER 80 -8.588 9.252 7.533 517 HB2 SER 80 1HB SER 80 -8.336 10.851 9.522 518 HB3 SER 80 2HB SER 80 -6.852 10.206 8.819 519 HG SER 80 HG SER 80 -7.233 12.655 9.247 520 H VAL 81 H VAL 81 -9.200 12.645 6.658 521 HA VAL 81 HA VAL 81 -11.880 12.415 7.785 522 HB VAL 81 HB VAL 81 -12.083 14.853 7.200 523 HG11 VAL 81 1HG1 VAL 81 -9.857 14.032 9.064 524 HG12 VAL 81 2HG1 VAL 81 -11.577 14.088 9.454 525 HG13 VAL 81 3HG1 VAL 81 -10.705 15.579 9.096 526 HG21 VAL 81 3HG2 VAL 81 -10.036 16.111 6.773 527 HG22 VAL 81 1HG2 VAL 81 -10.328 14.946 5.481 528 HG23 VAL 81 2HG2 VAL 81 -9.112 14.612 6.715 529 H ILE 82 H ILE 82 -13.139 11.296 6.481 530 HA ILE 82 HA ILE 82 -13.077 11.614 3.624 531 HB ILE 82 HB ILE 82 -14.982 10.049 5.344 532 HG12 ILE 82 1HG1 ILE 82 -12.673 9.275 5.566 533 HG13 ILE 82 2HG1 ILE 82 -13.631 8.113 4.667 534 HG21 ILE 82 1HG2 ILE 82 -15.613 8.899 3.302 535 HG22 ILE 82 2HG2 ILE 82 -14.490 9.890 2.374 536 HG23 ILE 82 3HG2 ILE 82 -15.897 10.634 3.134 537 HD11 ILE 82 3HD1 ILE 82 -11.447 8.351 3.672 538 HD12 ILE 82 1HD1 ILE 82 -11.685 10.090 3.504 539 HD13 ILE 82 2HD1 ILE 82 -12.680 8.970 2.572 540 H GLY 83 H GLY 83 -14.117 13.117 2.566 541 HA2 GLY 83 1HA GLY 83 -16.555 13.939 2.306 542 HA3 GLY 83 2HA GLY 83 -16.267 14.597 3.916 543 H VAL 84 H VAL 84 -13.827 15.562 3.871 544 HA VAL 84 HA VAL 84 -13.708 17.496 1.677 545 HB VAL 84 HB VAL 84 -12.003 17.294 4.175 546 HG11 VAL 84 1HG1 VAL 84 -10.817 18.373 2.344 547 HG12 VAL 84 2HG1 VAL 84 -11.240 19.549 3.586 548 HG13 VAL 84 3HG1 VAL 84 -12.174 19.470 2.094 549 HG21 VAL 84 3HG2 VAL 84 -14.310 17.852 4.710 550 HG22 VAL 84 1HG2 VAL 84 -14.286 19.155 3.522 551 HG23 VAL 84 2HG2 VAL 84 -13.263 19.250 4.956 552 H GLY 85 H GLY 85 -11.728 15.083 3.350 553 HA2 GLY 85 1HA GLY 85 -10.013 14.811 1.001 554 HA3 GLY 85 2HA GLY 85 -9.767 14.042 2.566 555 H GLY 86 H GLY 86 -9.501 12.464 0.396 556 HA2 GLY 86 1HA GLY 86 -10.260 10.292 -0.097 557 HA3 GLY 86 2HA GLY 86 -11.805 10.687 0.645 558 H ASN 87 H ASN 87 -12.013 13.194 -0.846 559 HA ASN 87 HA ASN 87 -13.443 12.334 -3.105 560 HB2 ASN 87 1HB ASN 87 -12.298 15.065 -2.467 561 HB3 ASN 87 2HB ASN 87 -13.487 14.743 -3.722 562 HD21 ASN 87 2HD2 ASN 87 -13.585 16.427 -1.313 563 HD22 ASN 87 1HD2 ASN 87 -14.969 15.888 -0.423 564 H SER 88 H SER 88 -10.262 13.830 -2.779 565 HA SER 88 HA SER 88 -9.206 12.380 -4.996 566 HB2 SER 88 1HB SER 88 -10.376 14.208 -6.204 567 HB3 SER 88 2HB SER 88 -9.467 15.390 -5.266 568 HG SER 88 HG SER 88 -8.663 13.795 -7.389 569 H CYS 89 H CYS 89 -6.965 12.368 -4.939 570 HA CYS 89 HA CYS 89 -5.693 14.146 -2.987 571 HB2 CYS 89 2HB CYS 89 -6.030 11.903 -1.977 572 HB3 CYS 89 1HB CYS 89 -5.106 11.198 -3.289 573 H SER 90 H SER 90 -5.979 13.835 -6.011 574 HA SER 90 HA SER 90 -4.749 14.123 -7.893 575 HB2 SER 90 1HB SER 90 -2.618 15.088 -5.968 576 HB3 SER 90 2HB SER 90 -2.668 15.405 -7.703 577 HG SER 90 HG SER 90 -4.870 16.097 -6.103 578 H ALA 91 H ALA 91 -4.450 11.673 -6.093 579 HA ALA 91 HA ALA 91 -2.261 10.467 -7.638 580 HB1 ALA 91 3HB ALA 91 -1.478 9.263 -5.659 581 HB2 ALA 91 1HB ALA 91 -2.684 10.087 -4.671 582 HB3 ALA 91 2HB ALA 91 -1.377 11.006 -5.416 583 H GLN 92 H GLN 92 -2.427 7.894 -6.659 584 HA GLN 92 HA GLN 92 -5.047 7.110 -7.644 585 HB2 GLN 92 1HB GLN 92 -3.719 5.671 -8.743 586 HB3 GLN 92 2HB GLN 92 -2.356 5.998 -7.682 587 HG2 GLN 92 1HG GLN 92 -2.904 4.303 -6.239 588 HG3 GLN 92 2HG GLN 92 -4.571 4.216 -6.783 589 HE21 GLN 92 2HE2 GLN 92 -1.870 4.408 -8.984 590 HE22 GLN 92 1HE2 GLN 92 -2.013 2.795 -9.596 591 H THR 93 H THR 93 -6.614 6.650 -6.290 592 HA THR 93 HA THR 93 -6.034 6.516 -3.455 593 HB THR 93 HB THR 93 -8.841 6.411 -4.054 594 HG1 THR 93 1HG THR 93 -8.830 7.541 -5.855 595 HG21 THR 93 3HG2 THR 93 -8.871 8.503 -2.805 596 HG22 THR 93 1HG2 THR 93 -7.119 8.651 -2.970 597 HG23 THR 93 2HG2 THR 93 -7.811 7.338 -2.011 598 H VAL 94 H VAL 94 -5.984 4.694 -2.399 599 HA VAL 94 HA VAL 94 -7.622 2.430 -3.304 600 HB VAL 94 HB VAL 94 -5.744 0.892 -2.642 601 HG11 VAL 94 1HG1 VAL 94 -5.358 2.717 -5.007 602 HG12 VAL 94 2HG1 VAL 94 -6.233 1.187 -4.959 603 HG13 VAL 94 3HG1 VAL 94 -4.487 1.205 -4.765 604 HG21 VAL 94 3HG2 VAL 94 -3.467 1.799 -2.659 605 HG22 VAL 94 1HG2 VAL 94 -4.431 2.468 -1.342 606 HG23 VAL 94 2HG2 VAL 94 -4.123 3.431 -2.789 607 H CYS 95 H CYS 95 -7.905 0.784 -1.652 608 HA CYS 95 HA CYS 95 -7.841 1.929 1.058 609 HB2 CYS 95 2HB CYS 95 -10.099 1.340 0.147 610 HB3 CYS 95 1HB CYS 95 -9.570 -0.333 0.015 611 H CYS 96 H CYS 96 -6.132 1.193 2.146 612 HA CYS 96 HA CYS 96 -5.075 -1.470 1.511 613 HB2 CYS 96 2HB CYS 96 -3.759 0.783 3.039 614 HB3 CYS 96 1HB CYS 96 -2.987 -0.691 2.459 615 H THR 97 H THR 97 -4.499 -2.925 3.194 616 HA THR 97 HA THR 97 -6.530 -2.863 5.257 617 HB THR 97 HB THR 97 -6.055 -4.930 3.960 618 HG1 THR 97 1HG THR 97 -7.003 -5.090 6.039 619 HG21 THR 97 3HG2 THR 97 -3.477 -4.992 5.533 620 HG22 THR 97 1HG2 THR 97 -3.612 -4.704 3.798 621 HG23 THR 97 2HG2 THR 97 -4.080 -6.264 4.471 622 H ASN 98 H ASN 98 -3.119 -2.391 4.970 623 HA ASN 98 HA ASN 98 -3.020 -1.411 7.699 624 HB2 ASN 98 1HB ASN 98 -1.271 -3.668 6.713 625 HB3 ASN 98 2HB ASN 98 -0.774 -2.616 8.029 626 HD21 ASN 98 2HD2 ASN 98 -1.862 -2.729 10.003 627 HD22 ASN 98 1HD2 ASN 98 -2.875 -4.073 10.408 628 H THR 99 H THR 99 -0.908 -0.292 8.086 629 HA THR 99 HA THR 99 0.310 0.684 5.610 630 HB THR 99 HB THR 99 -1.372 2.332 6.137 631 HG1 THR 99 1HG THR 99 0.682 3.123 5.451 632 HG21 THR 99 3HG2 THR 99 -1.703 1.820 8.497 633 HG22 THR 99 1HG2 THR 99 -1.394 3.541 8.269 634 HG23 THR 99 2HG2 THR 99 -0.116 2.489 8.874 635 H TYR 100 H TYR 100 2.447 1.096 5.754 636 HA TYR 100 HA TYR 100 3.666 1.012 8.437 637 HB2 TYR 100 2HB TYR 100 4.878 -0.221 5.951 638 HB3 TYR 100 1HB TYR 100 5.540 -0.260 7.579 639 HD1 TYR 100 2HD TYR 100 4.554 -1.698 9.290 640 HD2 TYR 100 1HD TYR 100 3.094 -1.710 5.294 641 HE1 TYR 100 2HE TYR 100 3.384 -3.813 9.730 642 HE2 TYR 100 1HE TYR 100 1.921 -3.826 5.726 643 HH TYR 100 HH TYR 100 2.049 -5.727 7.253 644 H GLN 101 H GLN 101 5.464 2.318 8.736 645 HA GLN 101 HA GLN 101 6.843 4.100 8.444 646 HB2 GLN 101 1HB GLN 101 6.540 3.185 5.599 647 HB3 GLN 101 2HB GLN 101 7.492 4.602 6.006 648 HG2 GLN 101 1HG GLN 101 8.107 2.159 7.526 649 HG3 GLN 101 2HG GLN 101 8.498 2.152 5.814 650 HE21 GLN 101 2HE2 GLN 101 8.503 5.085 7.593 651 HE22 GLN 101 1HE2 GLN 101 10.204 5.307 7.566 652 H HIS 102 H HIS 102 3.835 4.294 8.293 653 HA HIS 102 HA HIS 102 2.318 5.966 8.318 654 HB2 HIS 102 1HB HIS 102 4.752 7.692 7.880 655 HB3 HIS 102 2HB HIS 102 3.132 8.347 8.089 656 HD1 HIS 102 HD1 HIS 102 2.408 8.759 10.436 657 HD2 HIS 102 HD2 HIS 102 5.655 6.175 10.229 658 HE1 HIS 102 HE1 HIS 102 3.113 8.369 12.815 659 HE2 HIS 102 HE2 HIS 102 5.000 6.709 12.672 660 H GLY 103 H GLY 103 3.640 4.808 5.655 661 HA2 GLY 103 1HA GLY 103 1.694 5.078 3.929 662 HA3 GLY 103 2HA GLY 103 2.354 6.701 3.832 663 H LEU 104 H LEU 104 5.114 5.482 4.282 664 HA LEU 104 HA LEU 104 5.995 5.488 1.676 665 HB2 LEU 104 1HB LEU 104 7.334 3.917 3.864 666 HB3 LEU 104 2HB LEU 104 8.082 4.610 2.442 667 HG LEU 104 HG LEU 104 7.068 6.053 4.879 668 HD11 LEU 104 1HD1 LEU 104 9.757 5.956 3.548 669 HD12 LEU 104 2HD1 LEU 104 9.295 5.086 5.012 670 HD13 LEU 104 3HD1 LEU 104 9.349 6.850 5.011 671 HD21 LEU 104 3HD2 LEU 104 6.334 7.344 2.995 672 HD22 LEU 104 1HD2 LEU 104 7.941 7.248 2.270 673 HD23 LEU 104 2HD2 LEU 104 7.705 8.134 3.777 674 H VAL 105 H VAL 105 4.946 2.728 3.612 675 HA VAL 105 HA VAL 105 4.513 1.246 1.122 676 HB VAL 105 HB VAL 105 5.252 -0.855 2.528 677 HG11 VAL 105 1HG1 VAL 105 7.440 -0.747 1.461 678 HG12 VAL 105 2HG1 VAL 105 7.237 0.986 1.200 679 HG13 VAL 105 3HG1 VAL 105 6.183 -0.161 0.372 680 HG21 VAL 105 3HG2 VAL 105 5.779 0.578 4.520 681 HG22 VAL 105 1HG2 VAL 105 7.142 1.221 3.609 682 HG23 VAL 105 2HG2 VAL 105 7.075 -0.501 4.005 683 H ASN 106 H ASN 106 2.491 0.698 1.087 684 HA ASN 106 HA ASN 106 1.126 -0.001 3.606 685 HB2 ASN 106 1HB ASN 106 -0.012 1.128 1.037 686 HB3 ASN 106 2HB ASN 106 -0.986 0.567 2.397 687 HD21 ASN 106 2HD2 ASN 106 -0.880 3.198 1.237 688 HD22 ASN 106 1HD2 ASN 106 -0.386 4.270 2.499 689 H VAL 107 H VAL 107 -0.609 -1.664 3.343 690 HA VAL 107 HA VAL 107 0.066 -3.599 1.227 691 HB VAL 107 HB VAL 107 -0.321 -5.431 2.900 692 HG11 VAL 107 1HG1 VAL 107 1.945 -5.319 3.837 693 HG12 VAL 107 2HG1 VAL 107 2.044 -3.619 3.378 694 HG13 VAL 107 3HG1 VAL 107 1.922 -4.863 2.133 695 HG21 VAL 107 3HG2 VAL 107 -1.446 -4.152 4.619 696 HG22 VAL 107 1HG2 VAL 107 0.005 -3.183 4.878 697 HG23 VAL 107 2HG2 VAL 107 0.011 -4.903 5.270 698 H GLY 108 H GLY 108 -1.551 -5.150 0.745 699 HA2 GLY 108 1HA GLY 108 -3.690 -5.795 0.257 700 HA3 GLY 108 2HA GLY 108 -4.088 -5.308 1.899 701 H CYS 109 H CYS 109 -3.113 -3.582 -1.045 702 HA CYS 109 HA CYS 109 -5.136 -1.563 -0.432 703 HB2 CYS 109 2HB CYS 109 -2.886 -1.536 -2.449 704 HB3 CYS 109 1HB CYS 109 -3.946 -0.187 -2.088 705 H THR 110 H THR 110 -6.965 -1.417 -1.516 706 HA THR 110 HA THR 110 -7.146 -2.667 -4.174 707 HB THR 110 HB THR 110 -9.635 -2.908 -3.605 708 HG1 THR 110 1HG THR 110 -10.205 -2.229 -1.692 709 HG21 THR 110 3HG2 THR 110 -7.617 -4.560 -2.079 710 HG22 THR 110 1HG2 THR 110 -8.123 -4.820 -3.747 711 HG23 THR 110 2HG2 THR 110 -9.278 -5.036 -2.434 712 HA PRO 111 HA PRO 111 -7.911 1.490 -5.626 713 HB2 PRO 111 2HB PRO 111 -9.372 -0.004 -7.741 714 HB3 PRO 111 1HB PRO 111 -8.129 1.242 -7.897 715 HG2 PRO 111 2HG PRO 111 -7.547 -1.316 -8.330 716 HG3 PRO 111 1HG PRO 111 -6.398 -0.249 -7.500 717 HD2 PRO 111 2HD PRO 111 -8.178 -2.363 -6.375 718 HD3 PRO 111 1HD PRO 111 -6.541 -1.884 -5.887 719 H ILE 112 H ILE 112 -9.369 2.645 -4.575 720 HA ILE 112 HA ILE 112 -12.160 1.763 -4.512 721 HB ILE 112 HB ILE 112 -11.388 2.333 -2.337 722 HG12 ILE 112 1HG1 ILE 112 -13.029 4.584 -3.507 723 HG13 ILE 112 2HG1 ILE 112 -13.621 3.120 -2.732 724 HG21 ILE 112 1HG2 ILE 112 -9.406 3.589 -2.918 725 HG22 ILE 112 2HG2 ILE 112 -10.391 4.501 -1.774 726 HG23 ILE 112 3HG2 ILE 112 -10.396 4.934 -3.483 727 HD11 ILE 112 3HD1 ILE 112 -12.151 5.379 -1.405 728 HD12 ILE 112 1HD1 ILE 112 -12.652 3.887 -0.610 729 HD13 ILE 112 2HD1 ILE 112 -13.865 4.994 -1.254 730 H ASN 113 H ASN 113 -13.735 2.807 -5.602 731 HA ASN 113 HA ASN 113 -12.911 5.138 -7.185 732 HB2 ASN 113 1HB ASN 113 -14.734 4.537 -8.746 733 HB3 ASN 113 2HB ASN 113 -13.534 3.264 -8.591 734 HD21 ASN 113 2HD2 ASN 113 -16.306 3.155 -9.486 735 HD22 ASN 113 1HD2 ASN 113 -17.093 2.001 -8.464 736 H ILE 114 H ILE 114 -13.577 6.983 -6.362 737 HA ILE 114 HA ILE 114 -15.965 7.117 -4.755 738 HB ILE 114 HB ILE 114 -15.343 9.714 -4.998 739 HG12 ILE 114 1HG1 ILE 114 -12.862 9.931 -4.896 740 HG13 ILE 114 2HG1 ILE 114 -12.719 8.246 -5.378 741 HG21 ILE 114 1HG2 ILE 114 -14.005 7.728 -3.171 742 HG22 ILE 114 2HG2 ILE 114 -15.573 8.498 -2.924 743 HG23 ILE 114 3HG2 ILE 114 -14.100 9.468 -2.896 744 HD11 ILE 114 3HD1 ILE 114 -12.344 9.596 -7.290 745 HD12 ILE 114 1HD1 ILE 114 -13.810 10.527 -6.994 746 HD13 ILE 114 2HD1 ILE 114 -13.925 8.837 -7.475 747 H GLY 115 H GLY 115 -15.088 7.660 -8.028 748 HA2 GLY 115 1HA GLY 115 -16.422 7.966 -9.867 749 HA3 GLY 115 2HA GLY 115 -17.814 7.796 -8.816 750 H LEU 116 H LEU 116 -15.817 10.241 -7.688 751 HA LEU 116 HA LEU 116 -17.569 12.233 -8.940 752 HB2 LEU 116 1HB LEU 116 -17.149 13.664 -7.014 753 HB3 LEU 116 2HB LEU 116 -17.811 12.121 -6.521 754 HG LEU 116 HG LEU 116 -15.165 11.622 -6.235 755 HD11 LEU 116 1HD1 LEU 116 -15.522 14.517 -5.489 756 HD12 LEU 116 2HD1 LEU 116 -14.577 13.930 -6.856 757 HD13 LEU 116 3HD1 LEU 116 -14.091 13.524 -5.211 758 HD21 LEU 116 3HD2 LEU 116 -16.968 11.232 -4.604 759 HD22 LEU 116 1HD2 LEU 116 -16.916 12.941 -4.171 760 HD23 LEU 116 2HD2 LEU 116 -15.516 11.910 -3.867 Start of MODEL 14 1 H1 LYS 10 1H LYS 10 8.044 -2.816 -16.604 2 H2 LYS 10 2H LYS 10 7.480 -4.350 -16.175 3 H3 LYS 10 3H LYS 10 6.565 -3.373 -17.201 4 HA LYS 10 HA LYS 10 8.199 -3.514 -18.919 5 HB2 LYS 10 1HB LYS 10 10.131 -3.687 -17.321 6 HB3 LYS 10 2HB LYS 10 9.692 -5.364 -17.046 7 HG2 LYS 10 1HG LYS 10 10.041 -5.806 -19.458 8 HG3 LYS 10 2HG LYS 10 10.602 -4.145 -19.644 9 HD2 LYS 10 1HD LYS 10 12.602 -5.232 -19.368 10 HD3 LYS 10 2HD LYS 10 12.233 -4.815 -17.696 11 HE2 LYS 10 1HE LYS 10 11.635 -7.473 -18.994 12 HE3 LYS 10 2HE LYS 10 13.029 -7.141 -17.974 13 HZ1 LYS 10 3HZ LYS 10 10.175 -7.112 -17.161 14 HZ2 LYS 10 1HZ LYS 10 11.445 -6.588 -16.170 15 HZ3 LYS 10 2HZ LYS 10 11.370 -8.200 -16.668 16 H ALA 11 H ALA 11 5.908 -4.428 -19.132 17 HA ALA 11 HA ALA 11 5.420 -7.175 -18.660 18 HB1 ALA 11 3HB ALA 11 3.420 -6.856 -20.021 19 HB2 ALA 11 1HB ALA 11 4.031 -5.294 -20.565 20 HB3 ALA 11 2HB ALA 11 3.619 -5.536 -18.869 21 H MET 12 H MET 12 6.787 -8.596 -19.558 22 HA MET 12 HA MET 12 6.568 -8.911 -22.442 23 HB2 MET 12 1HB MET 12 8.994 -9.281 -22.744 24 HB3 MET 12 2HB MET 12 8.610 -7.629 -22.290 25 HG2 MET 12 1HG MET 12 9.250 -8.151 -19.969 26 HG3 MET 12 2HG MET 12 9.711 -9.770 -20.489 27 HE1 MET 12 3HE MET 12 11.691 -10.259 -22.197 28 HE2 MET 12 1HE MET 12 12.694 -9.003 -22.923 29 HE3 MET 12 2HE MET 12 10.994 -9.142 -23.368 30 H ALA 13 H ALA 13 7.849 -10.216 -19.404 31 HA ALA 13 HA ALA 13 7.021 -12.891 -20.340 32 HB1 ALA 13 3HB ALA 13 9.058 -12.195 -18.220 33 HB2 ALA 13 1HB ALA 13 9.421 -12.755 -19.852 34 HB3 ALA 13 2HB ALA 13 8.596 -13.823 -18.717 35 H ASP 14 H ASP 14 5.596 -10.600 -19.096 36 HA ASP 14 HA ASP 14 4.276 -11.991 -16.900 37 HB2 ASP 14 1HB ASP 14 4.415 -9.976 -15.470 38 HB3 ASP 14 2HB ASP 14 6.015 -10.628 -15.818 39 H ILE 15 H ILE 15 3.673 -11.239 -19.678 40 HA ILE 15 HA ILE 15 2.149 -8.888 -19.862 41 HB ILE 15 HB ILE 15 1.865 -11.413 -21.501 42 HG12 ILE 15 1HG1 ILE 15 3.526 -8.931 -21.992 43 HG13 ILE 15 2HG1 ILE 15 4.158 -10.499 -21.504 44 HG21 ILE 15 1HG2 ILE 15 -0.054 -9.936 -21.739 45 HG22 ILE 15 2HG2 ILE 15 0.916 -9.930 -23.212 46 HG23 ILE 15 3HG2 ILE 15 1.015 -8.578 -22.086 47 HD11 ILE 15 3HD1 ILE 15 3.348 -11.468 -23.593 48 HD12 ILE 15 1HD1 ILE 15 4.471 -10.138 -23.873 49 HD13 ILE 15 2HD1 ILE 15 2.738 -9.889 -24.082 50 H GLY 16 H GLY 16 0.248 -8.394 -19.036 51 HA2 GLY 16 1HA GLY 16 -2.042 -8.779 -18.574 52 HA3 GLY 16 2HA GLY 16 -1.725 -10.509 -18.565 53 H SER 17 H SER 17 0.441 -10.630 -16.865 54 HA SER 17 HA SER 17 0.943 -10.906 -14.679 55 HB2 SER 17 1HB SER 17 -0.404 -8.215 -14.356 56 HB3 SER 17 2HB SER 17 0.733 -8.953 -13.228 57 HG SER 17 HG SER 17 1.869 -8.947 -15.629 58 H THR 18 H THR 18 -0.375 -12.681 -14.353 59 HA THR 18 HA THR 18 -3.150 -12.598 -13.937 60 HB THR 18 HB THR 18 -1.407 -14.746 -12.766 61 HG1 THR 18 1HG THR 18 -0.527 -14.913 -14.692 62 HG21 THR 18 3HG2 THR 18 -3.837 -14.922 -12.486 63 HG22 THR 18 1HG2 THR 18 -3.227 -16.192 -13.544 64 HG23 THR 18 2HG2 THR 18 -4.050 -14.793 -14.231 65 H ALA 19 H ALA 19 -3.689 -11.068 -12.397 66 HA ALA 19 HA ALA 19 -3.599 -11.990 -9.669 67 HB1 ALA 19 3HB ALA 19 -2.390 -9.309 -10.337 68 HB2 ALA 19 1HB ALA 19 -1.482 -10.741 -9.855 69 HB3 ALA 19 2HB ALA 19 -2.611 -9.992 -8.725 70 H VAL 20 H VAL 20 -5.795 -11.994 -10.967 71 HA VAL 20 HA VAL 20 -7.165 -9.472 -11.115 72 HB VAL 20 HB VAL 20 -8.334 -12.256 -11.281 73 HG11 VAL 20 1HG1 VAL 20 -9.989 -10.512 -10.869 74 HG12 VAL 20 2HG1 VAL 20 -10.156 -11.172 -12.495 75 HG13 VAL 20 3HG1 VAL 20 -9.390 -9.603 -12.255 76 HG21 VAL 20 3HG2 VAL 20 -6.560 -11.935 -12.943 77 HG22 VAL 20 1HG2 VAL 20 -7.367 -10.476 -13.515 78 HG23 VAL 20 2HG2 VAL 20 -8.150 -12.045 -13.697 79 HA PRO 21 HA PRO 21 -8.268 -9.677 -6.755 80 HB2 PRO 21 2HB PRO 21 -9.481 -7.251 -6.668 81 HB3 PRO 21 1HB PRO 21 -7.727 -7.451 -6.616 82 HG2 PRO 21 2HG PRO 21 -9.484 -6.696 -8.909 83 HG3 PRO 21 1HG PRO 21 -7.890 -6.064 -8.462 84 HD2 PRO 21 2HD PRO 21 -8.281 -7.897 -10.442 85 HD3 PRO 21 1HD PRO 21 -6.784 -7.786 -9.495 86 H ARG 22 H ARG 22 -10.306 -9.564 -5.534 87 HA ARG 22 HA ARG 22 -12.738 -9.715 -7.133 88 HB2 ARG 22 1HB ARG 22 -13.396 -11.862 -6.076 89 HB3 ARG 22 2HB ARG 22 -12.008 -12.013 -7.141 90 HG2 ARG 22 1HG ARG 22 -10.550 -11.894 -5.114 91 HG3 ARG 22 2HG ARG 22 -12.015 -11.987 -4.134 92 HD2 ARG 22 1HD ARG 22 -10.957 -14.184 -4.416 93 HD3 ARG 22 2HD ARG 22 -12.568 -14.134 -5.132 94 HE ARG 22 HE ARG 22 -11.011 -13.534 -7.230 95 HH11 ARG 22 1HH1 ARG 22 -10.762 -16.095 -4.858 96 HH12 ARG 22 2HH1 ARG 22 -10.022 -17.210 -5.963 97 HH21 ARG 22 1HH2 ARG 22 -10.047 -14.987 -8.679 98 HH22 ARG 22 2HH2 ARG 22 -9.616 -16.584 -8.138 99 H ASP 23 H ASP 23 -14.680 -9.636 -5.863 100 HA ASP 23 HA ASP 23 -16.014 -8.755 -4.267 101 HB2 ASP 23 1HB ASP 23 -13.710 -9.553 -2.497 102 HB3 ASP 23 2HB ASP 23 -15.152 -8.770 -1.859 103 H VAL 24 H VAL 24 -13.874 -7.200 -5.704 104 HA VAL 24 HA VAL 24 -13.987 -4.810 -3.997 105 HB VAL 24 HB VAL 24 -11.683 -5.371 -4.387 106 HG11 VAL 24 1HG1 VAL 24 -10.721 -5.519 -6.648 107 HG12 VAL 24 2HG1 VAL 24 -12.345 -5.420 -7.326 108 HG13 VAL 24 3HG1 VAL 24 -11.890 -6.798 -6.326 109 HG21 VAL 24 3HG2 VAL 24 -12.528 -3.081 -6.154 110 HG22 VAL 24 1HG2 VAL 24 -10.891 -3.358 -5.561 111 HG23 VAL 24 2HG2 VAL 24 -12.192 -3.009 -4.424 112 H ASN 25 H ASN 25 -15.577 -3.532 -4.601 113 HA ASN 25 HA ASN 25 -16.245 -3.372 -7.463 114 HB2 ASN 25 1HB ASN 25 -18.056 -3.006 -5.073 115 HB3 ASN 25 2HB ASN 25 -18.535 -2.751 -6.746 116 HD21 ASN 25 2HD2 ASN 25 -19.587 -4.587 -4.765 117 HD22 ASN 25 1HD2 ASN 25 -19.439 -6.170 -5.447 118 H GLY 26 H GLY 26 -15.768 -1.500 -8.369 119 HA2 GLY 26 1HA GLY 26 -15.011 0.800 -6.874 120 HA3 GLY 26 2HA GLY 26 -15.257 0.729 -8.614 121 H GLY 27 H GLY 27 -16.633 1.546 -5.564 122 HA2 GLY 27 1HA GLY 27 -18.270 3.420 -5.741 123 HA3 GLY 27 2HA GLY 27 -19.091 2.433 -6.939 124 H THR 28 H THR 28 -17.671 1.307 -3.915 125 HA THR 28 HA THR 28 -20.126 0.014 -3.168 126 HB THR 28 HB THR 28 -17.621 0.365 -1.496 127 HG1 THR 28 1HG THR 28 -17.482 -0.660 -3.740 128 HG21 THR 28 3HG2 THR 28 -19.678 -0.489 -0.341 129 HG22 THR 28 1HG2 THR 28 -18.333 -1.630 -0.350 130 HG23 THR 28 2HG2 THR 28 -19.679 -1.845 -1.463 131 HA PRO 29 HA PRO 29 -22.313 3.344 -1.335 132 HB2 PRO 29 2HB PRO 29 -22.771 1.406 0.893 133 HB3 PRO 29 1HB PRO 29 -23.918 2.457 0.060 134 HG2 PRO 29 2HG PRO 29 -23.749 -0.132 -0.549 135 HG3 PRO 29 1HG PRO 29 -24.036 1.090 -1.801 136 HD2 PRO 29 2HD PRO 29 -21.596 -0.491 -1.231 137 HD3 PRO 29 1HD PRO 29 -22.152 0.225 -2.755 138 HA PRO 30 HA PRO 30 -20.218 4.039 2.867 139 HB2 PRO 30 2HB PRO 30 -18.339 1.988 3.574 140 HB3 PRO 30 1HB PRO 30 -19.862 2.384 4.370 141 HG2 PRO 30 2HG PRO 30 -19.375 0.043 3.001 142 HG3 PRO 30 1HG PRO 30 -20.983 0.712 3.306 143 HD2 PRO 30 2HD PRO 30 -19.312 0.855 0.843 144 HD3 PRO 30 1HD PRO 30 -21.066 0.633 1.002 145 H LYS 31 H LYS 31 -18.608 2.886 0.174 146 HA LYS 31 HA LYS 31 -16.740 3.394 -0.957 147 HB2 LYS 31 1HB LYS 31 -16.697 5.760 0.885 148 HB3 LYS 31 2HB LYS 31 -15.621 5.571 -0.488 149 HG2 LYS 31 1HG LYS 31 -17.552 5.530 -1.989 150 HG3 LYS 31 2HG LYS 31 -18.628 5.726 -0.604 151 HD2 LYS 31 1HD LYS 31 -17.633 7.887 -0.108 152 HD3 LYS 31 2HD LYS 31 -16.487 7.684 -1.433 153 HE2 LYS 31 1HE LYS 31 -18.298 9.140 -2.109 154 HE3 LYS 31 2HE LYS 31 -18.351 7.636 -3.026 155 HZ1 LYS 31 3HZ LYS 31 -20.034 8.260 -0.662 156 HZ2 LYS 31 1HZ LYS 31 -20.110 6.848 -1.592 157 HZ3 LYS 31 2HZ LYS 31 -20.545 8.332 -2.272 158 H SER 32 H SER 32 -15.686 4.603 2.192 159 HA SER 32 HA SER 32 -13.141 3.361 1.905 160 HB2 SER 32 1HB SER 32 -13.315 5.465 3.040 161 HB3 SER 32 2HB SER 32 -14.455 4.808 4.213 162 HG SER 32 HG SER 32 -12.853 3.923 5.284 163 H CYS 33 H CYS 33 -12.191 1.941 3.485 164 HA CYS 33 HA CYS 33 -13.932 -0.321 4.018 165 HB2 CYS 33 2HB CYS 33 -10.962 -0.064 4.543 166 HB3 CYS 33 1HB CYS 33 -11.896 -1.550 4.409 167 H SER 34 H SER 34 -13.935 -1.381 6.125 168 HA SER 34 HA SER 34 -14.378 0.608 8.156 169 HB2 SER 34 1HB SER 34 -15.936 -1.299 7.769 170 HB3 SER 34 2HB SER 34 -14.685 -2.394 8.358 171 HG SER 34 HG SER 34 -15.928 -0.284 9.801 172 H SER 35 H SER 35 -12.086 -2.046 7.643 173 HA SER 35 HA SER 35 -10.941 -1.863 10.251 174 HB2 SER 35 1HB SER 35 -10.817 -3.899 8.803 175 HB3 SER 35 2HB SER 35 -9.707 -3.031 7.745 176 HG SER 35 HG SER 35 -8.322 -2.793 9.615 177 H GLY 36 H GLY 36 -10.339 -0.331 7.179 178 HA2 GLY 36 1HA GLY 36 -8.652 1.623 8.486 179 HA3 GLY 36 2HA GLY 36 -7.865 0.675 7.230 180 HA PRO 37 HA PRO 37 -10.764 4.100 5.488 181 HB2 PRO 37 2HB PRO 37 -8.658 6.119 5.771 182 HB3 PRO 37 1HB PRO 37 -10.358 6.203 6.239 183 HG2 PRO 37 2HG PRO 37 -8.391 6.063 8.067 184 HG3 PRO 37 1HG PRO 37 -9.967 5.289 8.324 185 HD2 PRO 37 2HD PRO 37 -7.381 4.068 7.414 186 HD3 PRO 37 1HD PRO 37 -8.541 3.471 8.623 187 H VAL 38 H VAL 38 -9.587 5.990 3.795 188 HA VAL 38 HA VAL 38 -8.572 4.154 1.782 189 HB VAL 38 HB VAL 38 -9.428 7.044 1.519 190 HG11 VAL 38 1HG1 VAL 38 -9.573 6.582 -0.876 191 HG12 VAL 38 2HG1 VAL 38 -8.929 4.964 -0.601 192 HG13 VAL 38 3HG1 VAL 38 -7.926 6.377 -0.276 193 HG21 VAL 38 3HG2 VAL 38 -11.257 5.616 2.229 194 HG22 VAL 38 1HG2 VAL 38 -10.906 4.500 0.912 195 HG23 VAL 38 2HG2 VAL 38 -11.482 6.129 0.556 196 H TYR 39 H TYR 39 -6.761 4.816 0.400 197 HA TYR 39 HA TYR 39 -4.901 6.694 1.668 198 HB2 TYR 39 2HB TYR 39 -4.171 3.929 0.680 199 HB3 TYR 39 1HB TYR 39 -3.018 5.156 1.183 200 HD1 TYR 39 2HD TYR 39 -5.780 2.992 2.399 201 HD2 TYR 39 1HD TYR 39 -2.462 5.427 3.464 202 HE1 TYR 39 2HE TYR 39 -5.936 2.185 4.718 203 HE2 TYR 39 1HE TYR 39 -2.611 4.628 5.783 204 HH TYR 39 HH TYR 39 -4.127 3.637 7.293 205 H CYS 40 H CYS 40 -3.665 7.863 0.261 206 HA CYS 40 HA CYS 40 -4.401 7.568 -2.572 207 HB2 CYS 40 2HB CYS 40 -4.991 9.691 -1.328 208 HB3 CYS 40 1HB CYS 40 -3.273 10.013 -1.201 209 H CYS 41 H CYS 41 -2.880 6.486 -3.667 210 HA CYS 41 HA CYS 41 -0.062 6.858 -2.881 211 HB2 CYS 41 2HB CYS 41 -1.377 4.575 -4.372 212 HB3 CYS 41 1HB CYS 41 0.334 4.677 -3.969 213 H ASN 42 H ASN 42 1.327 7.680 -4.272 214 HA ASN 42 HA ASN 42 0.576 8.922 -6.665 215 HB2 ASN 42 1HB ASN 42 3.262 8.048 -5.612 216 HB3 ASN 42 2HB ASN 42 3.077 8.964 -7.104 217 HD21 ASN 42 2HD2 ASN 42 4.253 10.681 -6.281 218 HD22 ASN 42 1HD2 ASN 42 3.608 11.759 -5.090 219 H LYS 43 H LYS 43 1.358 5.706 -5.943 220 HA LYS 43 HA LYS 43 0.494 4.666 -8.405 221 HB2 LYS 43 1HB LYS 43 3.189 5.486 -8.382 222 HB3 LYS 43 2HB LYS 43 3.233 3.743 -8.181 223 HG2 LYS 43 1HG LYS 43 1.674 5.075 -10.378 224 HG3 LYS 43 2HG LYS 43 3.367 4.612 -10.550 225 HD2 LYS 43 1HD LYS 43 1.191 2.687 -9.757 226 HD3 LYS 43 2HD LYS 43 1.693 2.948 -11.429 227 HE2 LYS 43 1HE LYS 43 3.974 2.269 -10.842 228 HE3 LYS 43 2HE LYS 43 3.467 2.007 -9.174 229 HZ1 LYS 43 3HZ LYS 43 2.356 0.563 -11.515 230 HZ2 LYS 43 1HZ LYS 43 2.009 0.262 -9.887 231 HZ3 LYS 43 2HZ LYS 43 3.558 -0.048 -10.495 232 H THR 44 H THR 44 -0.361 2.666 -7.788 233 HA THR 44 HA THR 44 0.693 1.508 -5.349 234 HB THR 44 HB THR 44 -1.010 -0.311 -5.807 235 HG1 THR 44 1HG THR 44 -2.522 1.307 -7.403 236 HG21 THR 44 3HG2 THR 44 -2.014 2.523 -5.515 237 HG22 THR 44 1HG2 THR 44 -1.297 1.554 -4.227 238 HG23 THR 44 2HG2 THR 44 -2.814 1.050 -4.959 239 H GLU 45 H GLU 45 1.400 -0.652 -5.195 240 HA GLU 45 HA GLU 45 2.973 -1.444 -7.552 241 HB2 GLU 45 1HB GLU 45 3.841 -0.619 -5.028 242 HB3 GLU 45 2HB GLU 45 4.033 -2.361 -5.002 243 HG2 GLU 45 1HG GLU 45 5.237 -0.411 -6.947 244 HG3 GLU 45 2HG GLU 45 6.073 -1.335 -5.710 245 H ASP 46 H ASP 46 3.154 -3.628 -7.971 246 HA ASP 46 HA ASP 46 0.774 -5.076 -7.213 247 HB2 ASP 46 1HB ASP 46 3.013 -5.733 -9.122 248 HB3 ASP 46 2HB ASP 46 1.669 -6.825 -8.804 249 H SER 47 H SER 47 0.708 -6.090 -5.353 250 HA SER 47 HA SER 47 2.903 -6.796 -3.784 251 HB2 SER 47 1HB SER 47 0.108 -7.952 -3.724 252 HB3 SER 47 2HB SER 47 1.294 -8.051 -2.424 253 HG SER 47 HG SER 47 1.166 -5.533 -3.011 254 H LYS 48 H LYS 48 1.768 -8.425 -6.538 255 HA LYS 48 HA LYS 48 2.533 -11.064 -5.674 256 HB2 LYS 48 1HB LYS 48 1.813 -10.020 -8.419 257 HB3 LYS 48 2HB LYS 48 2.087 -11.710 -8.024 258 HG2 LYS 48 1HG LYS 48 -0.066 -9.966 -6.855 259 HG3 LYS 48 2HG LYS 48 -0.283 -11.143 -8.149 260 HD2 LYS 48 1HD LYS 48 0.727 -11.825 -5.392 261 HD3 LYS 48 2HD LYS 48 -0.960 -11.952 -5.884 262 HE2 LYS 48 1HE LYS 48 -0.348 -13.565 -7.610 263 HE3 LYS 48 2HE LYS 48 1.349 -13.418 -7.158 264 HZ1 LYS 48 3HZ LYS 48 -0.798 -14.394 -5.352 265 HZ2 LYS 48 1HZ LYS 48 0.858 -14.345 -5.011 266 HZ3 LYS 48 2HZ LYS 48 0.270 -15.389 -6.203 267 H HIS 49 H HIS 49 3.941 -8.396 -7.442 268 HA HIS 49 HA HIS 49 6.526 -9.715 -7.347 269 HB2 HIS 49 1HB HIS 49 5.232 -8.724 -9.883 270 HB3 HIS 49 2HB HIS 49 6.947 -9.040 -9.732 271 HD1 HIS 49 HD1 HIS 49 7.652 -11.571 -9.412 272 HD2 HIS 49 HD2 HIS 49 3.644 -10.933 -10.305 273 HE1 HIS 49 HE1 HIS 49 6.736 -13.818 -10.074 274 HE2 HIS 49 HE2 HIS 49 4.351 -13.375 -10.747 275 H LEU 50 H LEU 50 6.290 -7.851 -5.651 276 HA LEU 50 HA LEU 50 6.511 -5.192 -6.402 277 HB2 LEU 50 1HB LEU 50 7.757 -6.671 -4.099 278 HB3 LEU 50 2HB LEU 50 7.814 -4.942 -4.280 279 HG LEU 50 HG LEU 50 6.089 -5.299 -2.771 280 HD11 LEU 50 1HD1 LEU 50 4.070 -4.607 -3.900 281 HD12 LEU 50 2HD1 LEU 50 4.766 -5.073 -5.448 282 HD13 LEU 50 3HD1 LEU 50 5.475 -3.747 -4.524 283 HD21 LEU 50 3HD2 LEU 50 4.822 -7.364 -4.509 284 HD22 LEU 50 1HD2 LEU 50 4.450 -6.945 -2.834 285 HD23 LEU 50 2HD2 LEU 50 5.970 -7.755 -3.227 286 H ASP 51 H ASP 51 8.247 -3.834 -6.684 287 HA ASP 51 HA ASP 51 10.551 -4.773 -8.033 288 HB2 ASP 51 1HB ASP 51 9.537 -2.456 -8.128 289 HB3 ASP 51 2HB ASP 51 10.256 -2.155 -6.559 290 H LYS 52 H LYS 52 12.709 -4.923 -7.262 291 HA LYS 52 HA LYS 52 13.128 -5.936 -4.726 292 HB2 LYS 52 1HB LYS 52 15.539 -5.473 -5.055 293 HB3 LYS 52 2HB LYS 52 14.797 -6.338 -6.392 294 HG2 LYS 52 1HG LYS 52 15.054 -3.365 -6.525 295 HG3 LYS 52 2HG LYS 52 16.462 -4.378 -6.836 296 HD2 LYS 52 1HD LYS 52 13.850 -4.798 -8.264 297 HD3 LYS 52 2HD LYS 52 15.060 -3.665 -8.848 298 HE2 LYS 52 1HE LYS 52 15.621 -6.569 -8.300 299 HE3 LYS 52 2HE LYS 52 15.140 -5.953 -9.879 300 HZ1 LYS 52 3HZ LYS 52 17.569 -5.171 -8.362 301 HZ2 LYS 52 1HZ LYS 52 17.098 -4.514 -9.848 302 HZ3 LYS 52 2HZ LYS 52 17.523 -6.146 -9.741 303 H GLY 53 H GLY 53 13.276 -2.599 -5.840 304 HA2 GLY 53 1HA GLY 53 14.475 -1.490 -3.535 305 HA3 GLY 53 2HA GLY 53 13.463 -0.625 -4.683 306 H THR 54 H THR 54 11.115 -2.109 -4.382 307 HA THR 54 HA THR 54 10.097 -0.950 -1.962 308 HB THR 54 HB THR 54 8.643 -2.761 -3.905 309 HG1 THR 54 1HG THR 54 9.139 0.038 -3.942 310 HG21 THR 54 3HG2 THR 54 6.630 -1.613 -3.059 311 HG22 THR 54 1HG2 THR 54 7.637 -0.719 -1.913 312 HG23 THR 54 2HG2 THR 54 7.487 -2.474 -1.774 313 H THR 55 H THR 55 10.551 -4.200 -3.253 314 HA THR 55 HA THR 55 9.677 -5.746 -1.133 315 HB THR 55 HB THR 55 12.129 -6.192 -2.852 316 HG1 THR 55 1HG THR 55 10.313 -6.055 -4.147 317 HG21 THR 55 3HG2 THR 55 10.517 -8.155 -1.221 318 HG22 THR 55 1HG2 THR 55 12.163 -7.619 -0.885 319 HG23 THR 55 2HG2 THR 55 11.823 -8.571 -2.330 320 H ALA 56 H ALA 56 12.675 -3.975 -1.542 321 HA ALA 56 HA ALA 56 14.090 -4.831 0.688 322 HB1 ALA 56 3HB ALA 56 14.012 -2.128 -0.638 323 HB2 ALA 56 1HB ALA 56 15.105 -3.462 -1.004 324 HB3 ALA 56 2HB ALA 56 15.227 -2.625 0.545 325 H LEU 57 H LEU 57 11.884 -2.008 0.475 326 HA LEU 57 HA LEU 57 12.176 -1.188 3.146 327 HB2 LEU 57 1HB LEU 57 9.728 -0.895 1.415 328 HB3 LEU 57 2HB LEU 57 10.033 -0.022 2.897 329 HG LEU 57 HG LEU 57 10.833 1.611 1.635 330 HD11 LEU 57 1HD1 LEU 57 13.024 -0.241 0.751 331 HD12 LEU 57 2HD1 LEU 57 12.974 0.524 2.341 332 HD13 LEU 57 3HD1 LEU 57 13.085 1.519 0.884 333 HD21 LEU 57 3HD2 LEU 57 11.196 -0.216 -0.708 334 HD22 LEU 57 1HD2 LEU 57 10.918 1.525 -0.719 335 HD23 LEU 57 2HD2 LEU 57 9.617 0.420 -0.245 336 H LEU 58 H LEU 58 9.836 -3.292 1.601 337 HA LEU 58 HA LEU 58 8.227 -3.843 3.813 338 HB2 LEU 58 1HB LEU 58 8.935 -5.763 1.607 339 HB3 LEU 58 2HB LEU 58 7.485 -5.776 2.591 340 HG LEU 58 HG LEU 58 8.197 -3.606 0.609 341 HD11 LEU 58 1HD1 LEU 58 6.413 -4.546 -0.748 342 HD12 LEU 58 2HD1 LEU 58 6.168 -5.828 0.442 343 HD13 LEU 58 3HD1 LEU 58 7.679 -5.741 -0.464 344 HD21 LEU 58 3HD2 LEU 58 5.694 -4.094 2.226 345 HD22 LEU 58 1HD2 LEU 58 5.887 -2.867 0.973 346 HD23 LEU 58 2HD2 LEU 58 6.844 -2.777 2.451 347 H GLY 59 H GLY 59 11.149 -5.438 2.628 348 HA2 GLY 59 1HA GLY 59 11.275 -7.445 4.584 349 HA3 GLY 59 2HA GLY 59 12.650 -6.802 3.702 350 H LEU 60 H LEU 60 12.407 -4.104 4.603 351 HA LEU 60 HA LEU 60 13.894 -4.202 6.994 352 HB2 LEU 60 1HB LEU 60 12.324 -1.828 5.982 353 HB3 LEU 60 2HB LEU 60 13.715 -1.796 7.048 354 HG LEU 60 HG LEU 60 13.642 -2.338 4.093 355 HD11 LEU 60 1HD1 LEU 60 13.786 -0.019 4.837 356 HD12 LEU 60 2HD1 LEU 60 15.265 -0.540 4.028 357 HD13 LEU 60 3HD1 LEU 60 15.219 -0.412 5.786 358 HD21 LEU 60 3HD2 LEU 60 15.946 -2.840 5.974 359 HD22 LEU 60 1HD2 LEU 60 16.004 -2.926 4.211 360 HD23 LEU 60 2HD2 LEU 60 15.016 -4.073 5.122 361 H LEU 61 H LEU 61 10.535 -3.613 6.302 362 HA LEU 61 HA LEU 61 9.897 -3.090 9.093 363 HB2 LEU 61 1HB LEU 61 8.148 -3.144 6.638 364 HB3 LEU 61 2HB LEU 61 7.653 -2.603 8.233 365 HG LEU 61 HG LEU 61 10.021 -1.273 7.028 366 HD11 LEU 61 1HD1 LEU 61 8.581 0.275 5.795 367 HD12 LEU 61 2HD1 LEU 61 7.192 -0.756 6.145 368 HD13 LEU 61 3HD1 LEU 61 8.515 -1.363 5.145 369 HD21 LEU 61 3HD2 LEU 61 7.653 -0.303 8.620 370 HD22 LEU 61 1HD2 LEU 61 9.044 0.671 8.140 371 HD23 LEU 61 2HD2 LEU 61 9.254 -0.677 9.261 372 H ASN 62 H ASN 62 10.375 -5.777 7.356 373 HA ASN 62 HA ASN 62 10.161 -7.963 7.929 374 HB2 ASN 62 1HB ASN 62 8.621 -6.902 10.289 375 HB3 ASN 62 2HB ASN 62 9.090 -8.581 10.081 376 HD21 ASN 62 2HD2 ASN 62 11.274 -9.140 10.294 377 HD22 ASN 62 1HD2 ASN 62 12.404 -8.090 11.075 378 H ILE 63 H ILE 63 8.227 -6.456 6.293 379 HA ILE 63 HA ILE 63 5.681 -7.747 6.715 380 HB ILE 63 HB ILE 63 6.680 -6.096 4.383 381 HG12 ILE 63 1HG1 ILE 63 4.822 -5.221 6.589 382 HG13 ILE 63 2HG1 ILE 63 6.569 -5.064 6.734 383 HG21 ILE 63 1HG2 ILE 63 3.874 -6.913 5.136 384 HG22 ILE 63 2HG2 ILE 63 4.798 -7.515 3.757 385 HG23 ILE 63 3HG2 ILE 63 4.313 -5.819 3.823 386 HD11 ILE 63 3HD1 ILE 63 6.646 -3.629 4.834 387 HD12 ILE 63 1HD1 ILE 63 5.457 -3.011 5.978 388 HD13 ILE 63 2HD1 ILE 63 4.924 -3.872 4.525 389 H LYS 64 H LYS 64 4.760 -9.291 5.411 390 HA LYS 64 HA LYS 64 6.692 -11.022 4.074 391 HB2 LYS 64 1HB LYS 64 4.836 -12.733 4.221 392 HB3 LYS 64 2HB LYS 64 5.500 -12.203 5.756 393 HG2 LYS 64 1HG LYS 64 3.037 -10.907 4.666 394 HG3 LYS 64 2HG LYS 64 2.937 -12.471 5.471 395 HD2 LYS 64 1HD LYS 64 3.926 -11.525 7.479 396 HD3 LYS 64 2HD LYS 64 4.113 -9.969 6.679 397 HE2 LYS 64 1HE LYS 64 2.153 -10.003 8.149 398 HE3 LYS 64 2HE LYS 64 1.706 -9.757 6.462 399 HZ1 LYS 64 3HZ LYS 64 0.307 -11.369 7.744 400 HZ2 LYS 64 1HZ LYS 64 1.636 -12.413 7.771 401 HZ3 LYS 64 2HZ LYS 64 0.935 -11.969 6.290 402 H ILE 65 H ILE 65 6.805 -10.994 1.967 403 HA ILE 65 HA ILE 65 5.005 -9.403 0.420 404 HB ILE 65 HB ILE 65 7.454 -11.004 -0.292 405 HG12 ILE 65 1HG1 ILE 65 8.322 -8.760 -0.937 406 HG13 ILE 65 2HG1 ILE 65 6.820 -8.053 -0.363 407 HG21 ILE 65 1HG2 ILE 65 7.300 -10.170 -2.571 408 HG22 ILE 65 2HG2 ILE 65 5.752 -9.415 -2.191 409 HG23 ILE 65 3HG2 ILE 65 5.904 -11.173 -2.173 410 HD11 ILE 65 3HD1 ILE 65 8.822 -9.545 1.318 411 HD12 ILE 65 1HD1 ILE 65 7.328 -8.809 1.896 412 HD13 ILE 65 2HD1 ILE 65 8.620 -7.794 1.253 413 H GLY 66 H GLY 66 5.696 -12.864 0.661 414 HA2 GLY 66 1HA GLY 66 4.076 -13.598 -1.570 415 HA3 GLY 66 2HA GLY 66 4.743 -14.689 -0.368 416 H ASP 67 H ASP 67 3.261 -12.603 1.504 417 HA ASP 67 HA ASP 67 0.767 -14.144 1.531 418 HB2 ASP 67 1HB ASP 67 2.045 -14.289 3.583 419 HB3 ASP 67 2HB ASP 67 2.148 -12.539 3.684 420 H LEU 68 H LEU 68 1.999 -11.180 0.614 421 HA LEU 68 HA LEU 68 -0.014 -9.376 1.369 422 HB2 LEU 68 1HB LEU 68 1.797 -9.398 -1.039 423 HB3 LEU 68 2HB LEU 68 0.764 -8.049 -0.601 424 HG LEU 68 HG LEU 68 2.998 -9.139 1.110 425 HD11 LEU 68 1HD1 LEU 68 4.167 -7.073 0.524 426 HD12 LEU 68 2HD1 LEU 68 2.859 -6.648 -0.582 427 HD13 LEU 68 3HD1 LEU 68 3.855 -8.070 -0.898 428 HD21 LEU 68 3HD2 LEU 68 1.248 -8.161 2.450 429 HD22 LEU 68 1HD2 LEU 68 1.209 -6.733 1.414 430 HD23 LEU 68 2HD2 LEU 68 2.633 -7.065 2.403 431 H LYS 69 H LYS 69 -1.853 -8.669 0.374 432 HA LYS 69 HA LYS 69 -3.188 -10.839 -1.028 433 HB2 LYS 69 1HB LYS 69 -4.152 -8.455 0.509 434 HB3 LYS 69 2HB LYS 69 -5.248 -9.322 -0.554 435 HG2 LYS 69 1HG LYS 69 -5.531 -10.162 1.660 436 HG3 LYS 69 2HG LYS 69 -4.729 -11.405 0.700 437 HD2 LYS 69 1HD LYS 69 -2.563 -10.685 1.641 438 HD3 LYS 69 2HD LYS 69 -3.419 -9.519 2.651 439 HE2 LYS 69 1HE LYS 69 -4.629 -11.339 3.739 440 HE3 LYS 69 2HE LYS 69 -3.801 -12.509 2.714 441 HZ1 LYS 69 3HZ LYS 69 -1.707 -11.886 3.704 442 HZ2 LYS 69 1HZ LYS 69 -2.798 -12.317 4.923 443 HZ3 LYS 69 2HZ LYS 69 -2.457 -10.689 4.634 444 H ASP 70 H ASP 70 -3.175 -7.268 -1.434 445 HA ASP 70 HA ASP 70 -3.892 -7.785 -4.242 446 HB2 ASP 70 1HB ASP 70 -4.923 -5.719 -2.336 447 HB3 ASP 70 2HB ASP 70 -4.973 -5.431 -4.070 448 H LEU 71 H LEU 71 -3.326 -4.571 -3.063 449 HA LEU 71 HA LEU 71 -0.788 -4.525 -4.562 450 HB2 LEU 71 1HB LEU 71 -2.855 -2.367 -4.217 451 HB3 LEU 71 2HB LEU 71 -1.231 -2.051 -4.777 452 HG LEU 71 HG LEU 71 -2.276 -2.131 -6.764 453 HD11 LEU 71 1HD1 LEU 71 -1.825 -5.062 -6.290 454 HD12 LEU 71 2HD1 LEU 71 -0.635 -3.887 -6.851 455 HD13 LEU 71 3HD1 LEU 71 -2.022 -4.288 -7.863 456 HD21 LEU 71 3HD2 LEU 71 -4.198 -4.215 -5.750 457 HD22 LEU 71 1HD2 LEU 71 -4.287 -3.359 -7.291 458 HD23 LEU 71 2HD2 LEU 71 -4.499 -2.476 -5.776 459 H VAL 72 H VAL 72 0.730 -2.906 -3.905 460 HA VAL 72 HA VAL 72 0.485 -2.026 -1.105 461 HB VAL 72 HB VAL 72 2.570 -2.644 -0.567 462 HG11 VAL 72 1HG1 VAL 72 3.613 -4.463 -1.906 463 HG12 VAL 72 2HG1 VAL 72 2.367 -4.187 -3.128 464 HG13 VAL 72 3HG1 VAL 72 1.912 -4.705 -1.506 465 HG21 VAL 72 3HG2 VAL 72 4.567 -2.389 -2.115 466 HG22 VAL 72 1HG2 VAL 72 3.740 -0.907 -1.615 467 HG23 VAL 72 2HG2 VAL 72 3.461 -1.583 -3.228 468 H GLY 73 H GLY 73 1.994 0.069 -0.889 469 HA2 GLY 73 1HA GLY 73 1.866 1.601 -3.373 470 HA3 GLY 73 2HA GLY 73 1.017 2.231 -1.967 471 H LEU 74 H LEU 74 3.330 3.283 -3.507 472 HA LEU 74 HA LEU 74 5.137 3.491 -1.216 473 HB2 LEU 74 1HB LEU 74 6.952 4.101 -2.647 474 HB3 LEU 74 2HB LEU 74 6.258 2.606 -3.213 475 HG LEU 74 HG LEU 74 6.881 3.814 -5.123 476 HD11 LEU 74 1HD1 LEU 74 4.837 4.220 -6.335 477 HD12 LEU 74 2HD1 LEU 74 3.931 4.275 -4.823 478 HD13 LEU 74 3HD1 LEU 74 4.700 2.771 -5.335 479 HD21 LEU 74 3HD2 LEU 74 5.485 6.225 -3.984 480 HD22 LEU 74 1HD2 LEU 74 6.176 6.120 -5.604 481 HD23 LEU 74 2HD2 LEU 74 7.221 5.997 -4.190 482 H ASN 75 H ASN 75 5.450 5.334 -0.258 483 HA ASN 75 HA ASN 75 5.059 7.444 0.473 484 HB2 ASN 75 1HB ASN 75 5.169 8.139 -2.470 485 HB3 ASN 75 2HB ASN 75 5.399 9.241 -1.119 486 HD21 ASN 75 2HD2 ASN 75 6.992 7.612 0.501 487 HD22 ASN 75 1HD2 ASN 75 8.532 7.432 -0.265 488 H CYS 76 H CYS 76 2.791 6.093 0.536 489 HA CYS 76 HA CYS 76 0.696 7.460 -0.933 490 HB2 CYS 76 2HB CYS 76 0.495 5.310 1.185 491 HB3 CYS 76 1HB CYS 76 -0.805 5.860 0.135 492 H SER 77 H SER 77 -0.792 8.830 -0.074 493 HA SER 77 HA SER 77 -0.267 9.836 2.620 494 HB2 SER 77 1HB SER 77 -1.957 11.624 1.862 495 HB3 SER 77 2HB SER 77 -0.382 11.614 1.071 496 HG SER 77 HG SER 77 -2.023 11.781 -0.466 497 HA PRO 78 HA PRO 78 -3.679 7.232 3.951 498 HB2 PRO 78 2HB PRO 78 -3.262 8.698 6.486 499 HB3 PRO 78 1HB PRO 78 -3.249 6.958 6.181 500 HG2 PRO 78 2HG PRO 78 -0.986 8.298 6.673 501 HG3 PRO 78 1HG PRO 78 -1.034 6.956 5.516 502 HD2 PRO 78 2HD PRO 78 -1.002 9.904 5.000 503 HD3 PRO 78 1HD PRO 78 -0.166 8.599 4.136 504 H LEU 79 H LEU 79 -5.680 7.754 3.422 505 HA LEU 79 HA LEU 79 -6.669 10.454 4.000 506 HB2 LEU 79 1HB LEU 79 -8.006 8.283 2.387 507 HB3 LEU 79 2HB LEU 79 -8.415 9.985 2.415 508 HG LEU 79 HG LEU 79 -5.928 8.756 1.225 509 HD11 LEU 79 1HD1 LEU 79 -6.837 9.488 -0.886 510 HD12 LEU 79 2HD1 LEU 79 -8.248 10.164 -0.073 511 HD13 LEU 79 3HD1 LEU 79 -7.978 8.422 -0.069 512 HD21 LEU 79 3HD2 LEU 79 -5.461 11.048 0.410 513 HD22 LEU 79 1HD2 LEU 79 -5.343 10.885 2.164 514 HD23 LEU 79 2HD2 LEU 79 -6.764 11.642 1.440 515 H SER 80 H SER 80 -7.027 10.197 6.205 516 HA SER 80 HA SER 80 -8.417 7.905 7.229 517 HB2 SER 80 1HB SER 80 -7.743 10.498 8.632 518 HB3 SER 80 2HB SER 80 -8.118 8.949 9.387 519 HG SER 80 HG SER 80 -6.219 8.120 8.303 520 H VAL 81 H VAL 81 -9.324 10.904 5.916 521 HA VAL 81 HA VAL 81 -12.036 10.616 7.011 522 HB VAL 81 HB VAL 81 -12.141 13.181 6.907 523 HG11 VAL 81 1HG1 VAL 81 -11.186 13.392 9.160 524 HG12 VAL 81 2HG1 VAL 81 -10.381 11.837 8.960 525 HG13 VAL 81 3HG1 VAL 81 -12.142 11.919 8.997 526 HG21 VAL 81 3HG2 VAL 81 -9.143 12.808 6.967 527 HG22 VAL 81 1HG2 VAL 81 -9.993 14.329 7.227 528 HG23 VAL 81 2HG2 VAL 81 -10.073 13.535 5.656 529 H ILE 82 H ILE 82 -13.313 10.093 5.375 530 HA ILE 82 HA ILE 82 -12.877 11.334 2.757 531 HB ILE 82 HB ILE 82 -14.472 8.890 3.469 532 HG12 ILE 82 1HG1 ILE 82 -12.029 8.675 3.829 533 HG13 ILE 82 2HG1 ILE 82 -12.633 7.633 2.562 534 HG21 ILE 82 1HG2 ILE 82 -13.687 10.016 0.785 535 HG22 ILE 82 2HG2 ILE 82 -15.312 9.988 1.467 536 HG23 ILE 82 3HG2 ILE 82 -14.505 8.476 1.051 537 HD11 ILE 82 3HD1 ILE 82 -11.789 9.176 0.873 538 HD12 ILE 82 1HD1 ILE 82 -10.506 8.636 1.953 539 HD13 ILE 82 2HD1 ILE 82 -11.205 10.242 2.150 540 H GLY 83 H GLY 83 -14.310 12.809 2.046 541 HA2 GLY 83 1HA GLY 83 -16.909 12.890 1.815 542 HA3 GLY 83 2HA GLY 83 -16.798 13.165 3.548 543 H VAL 84 H VAL 84 -17.420 15.229 3.754 544 HA VAL 84 HA VAL 84 -16.697 17.291 1.922 545 HB VAL 84 HB VAL 84 -17.752 17.576 4.745 546 HG11 VAL 84 1HG1 VAL 84 -16.810 19.642 3.872 547 HG12 VAL 84 2HG1 VAL 84 -18.565 19.757 3.985 548 HG13 VAL 84 3HG1 VAL 84 -17.797 19.493 2.419 549 HG21 VAL 84 3HG2 VAL 84 -19.970 17.778 3.693 550 HG22 VAL 84 1HG2 VAL 84 -19.250 16.191 3.437 551 HG23 VAL 84 2HG2 VAL 84 -19.251 17.378 2.134 552 H GLY 85 H GLY 85 -15.405 16.076 4.940 553 HA2 GLY 85 1HA GLY 85 -13.364 18.201 4.918 554 HA3 GLY 85 2HA GLY 85 -13.804 17.237 6.320 555 H GLY 86 H GLY 86 -12.922 16.376 2.985 556 HA2 GLY 86 1HA GLY 86 -11.323 14.167 3.894 557 HA3 GLY 86 2HA GLY 86 -11.519 14.698 2.229 558 H ASN 87 H ASN 87 -9.079 13.890 3.685 559 HA ASN 87 HA ASN 87 -7.649 16.401 4.028 560 HB2 ASN 87 1HB ASN 87 -5.827 15.040 4.947 561 HB3 ASN 87 2HB ASN 87 -7.354 14.715 5.756 562 HD21 ASN 87 2HD2 ASN 87 -4.800 13.434 3.865 563 HD22 ASN 87 1HD2 ASN 87 -5.342 11.792 3.857 564 H SER 88 H SER 88 -8.471 15.627 1.404 565 HA SER 88 HA SER 88 -7.778 15.967 -0.694 566 HB2 SER 88 1HB SER 88 -5.701 17.227 -1.082 567 HB3 SER 88 2HB SER 88 -6.683 17.928 0.199 568 HG SER 88 HG SER 88 -4.983 16.155 1.263 569 H CYS 89 H CYS 89 -7.434 14.506 -2.128 570 HA CYS 89 HA CYS 89 -4.887 13.041 -2.120 571 HB2 CYS 89 2HB CYS 89 -6.411 11.336 -1.525 572 HB3 CYS 89 1HB CYS 89 -7.653 11.951 -2.603 573 H SER 90 H SER 90 -3.768 13.346 -3.945 574 HA SER 90 HA SER 90 -5.225 14.362 -6.293 575 HB2 SER 90 1HB SER 90 -3.009 15.576 -6.787 576 HB3 SER 90 2HB SER 90 -4.015 16.214 -5.489 577 HG SER 90 HG SER 90 -1.507 15.511 -5.323 578 H ALA 91 H ALA 91 -3.971 11.678 -5.286 579 HA ALA 91 HA ALA 91 -2.685 11.037 -7.852 580 HB1 ALA 91 3HB ALA 91 -1.215 9.469 -6.682 581 HB2 ALA 91 1HB ALA 91 -1.901 9.973 -5.139 582 HB3 ALA 91 2HB ALA 91 -0.980 11.121 -6.114 583 H GLN 92 H GLN 92 -2.436 8.222 -7.189 584 HA GLN 92 HA GLN 92 -5.079 7.445 -7.961 585 HB2 GLN 92 1HB GLN 92 -3.845 5.895 -8.999 586 HB3 GLN 92 2HB GLN 92 -2.424 6.339 -8.070 587 HG2 GLN 92 1HG GLN 92 -2.846 4.745 -6.439 588 HG3 GLN 92 2HG GLN 92 -4.513 4.522 -6.944 589 HE21 GLN 92 2HE2 GLN 92 -1.842 4.722 -9.174 590 HE22 GLN 92 1HE2 GLN 92 -1.912 3.074 -9.693 591 H THR 93 H THR 93 -6.640 6.543 -6.728 592 HA THR 93 HA THR 93 -6.102 6.620 -3.850 593 HB THR 93 HB THR 93 -8.900 6.660 -4.814 594 HG1 THR 93 1HG THR 93 -6.970 8.653 -5.422 595 HG21 THR 93 3HG2 THR 93 -9.110 8.336 -3.059 596 HG22 THR 93 1HG2 THR 93 -7.357 8.380 -2.863 597 HG23 THR 93 2HG2 THR 93 -8.257 6.923 -2.438 598 H VAL 94 H VAL 94 -6.028 4.771 -2.832 599 HA VAL 94 HA VAL 94 -7.741 2.537 -3.702 600 HB VAL 94 HB VAL 94 -5.870 1.002 -2.919 601 HG11 VAL 94 1HG1 VAL 94 -5.495 2.674 -5.396 602 HG12 VAL 94 2HG1 VAL 94 -6.368 1.150 -5.249 603 HG13 VAL 94 3HG1 VAL 94 -4.622 1.182 -5.061 604 HG21 VAL 94 3HG2 VAL 94 -4.268 3.536 -3.220 605 HG22 VAL 94 1HG2 VAL 94 -3.593 1.918 -3.024 606 HG23 VAL 94 2HG2 VAL 94 -4.547 2.640 -1.727 607 H CYS 95 H CYS 95 -8.053 0.913 -1.971 608 HA CYS 95 HA CYS 95 -8.026 2.200 0.683 609 HB2 CYS 95 2HB CYS 95 -10.270 1.493 -0.410 610 HB3 CYS 95 1HB CYS 95 -9.766 -0.154 -0.040 611 H CYS 96 H CYS 96 -6.692 1.339 2.149 612 HA CYS 96 HA CYS 96 -5.457 -1.249 1.469 613 HB2 CYS 96 2HB CYS 96 -4.030 1.116 2.677 614 HB3 CYS 96 1HB CYS 96 -3.312 -0.361 2.037 615 H THR 97 H THR 97 -4.656 -2.501 3.183 616 HA THR 97 HA THR 97 -6.499 -2.374 5.393 617 HB THR 97 HB THR 97 -5.921 -4.515 4.244 618 HG1 THR 97 1HG THR 97 -6.607 -5.292 6.068 619 HG21 THR 97 3HG2 THR 97 -3.296 -4.250 5.715 620 HG22 THR 97 1HG2 THR 97 -3.506 -4.144 3.967 621 HG23 THR 97 2HG2 THR 97 -3.841 -5.659 4.804 622 H ASN 98 H ASN 98 -3.138 -1.680 4.849 623 HA ASN 98 HA ASN 98 -2.907 -0.437 7.445 624 HB2 ASN 98 1HB ASN 98 -1.258 -2.870 6.755 625 HB3 ASN 98 2HB ASN 98 -0.708 -1.675 7.917 626 HD21 ASN 98 2HD2 ASN 98 -1.844 -1.451 9.880 627 HD22 ASN 98 1HD2 ASN 98 -2.855 -2.721 10.478 628 H THR 99 H THR 99 -0.986 0.870 7.614 629 HA THR 99 HA THR 99 0.613 1.059 5.164 630 HB THR 99 HB THR 99 -1.026 2.957 5.234 631 HG1 THR 99 1HG THR 99 0.988 3.205 4.175 632 HG21 THR 99 3HG2 THR 99 -0.622 4.786 6.836 633 HG22 THR 99 1HG2 THR 99 0.544 3.769 7.683 634 HG23 THR 99 2HG2 THR 99 -1.157 3.311 7.640 635 H TYR 100 H TYR 100 2.765 1.689 5.489 636 HA TYR 100 HA TYR 100 3.653 1.786 8.292 637 HB2 TYR 100 2HB TYR 100 4.981 0.163 6.105 638 HB3 TYR 100 1HB TYR 100 5.565 0.341 7.753 639 HD1 TYR 100 2HD TYR 100 4.472 -0.818 9.589 640 HD2 TYR 100 1HD TYR 100 3.100 -1.273 5.590 641 HE1 TYR 100 2HE TYR 100 3.169 -2.787 10.268 642 HE2 TYR 100 1HE TYR 100 1.792 -3.244 6.258 643 HH TYR 100 HH TYR 100 1.219 -4.053 9.511 644 H GLN 101 H GLN 101 5.671 2.897 8.599 645 HA GLN 101 HA GLN 101 7.175 4.561 8.221 646 HB2 GLN 101 1HB GLN 101 6.837 3.475 5.441 647 HB3 GLN 101 2HB GLN 101 7.878 4.856 5.759 648 HG2 GLN 101 1HG GLN 101 8.222 2.360 7.342 649 HG3 GLN 101 2HG GLN 101 8.864 2.463 5.703 650 HE21 GLN 101 2HE2 GLN 101 10.497 3.876 5.246 651 HE22 GLN 101 1HE2 GLN 101 11.431 4.655 6.460 652 H HIS 102 H HIS 102 4.268 5.020 8.180 653 HA HIS 102 HA HIS 102 2.816 6.739 8.009 654 HB2 HIS 102 1HB HIS 102 5.364 8.220 7.435 655 HB3 HIS 102 2HB HIS 102 3.806 9.034 7.362 656 HD1 HIS 102 HD1 HIS 102 3.225 10.163 9.464 657 HD2 HIS 102 HD2 HIS 102 5.594 6.814 10.134 658 HE1 HIS 102 HE1 HIS 102 3.631 10.108 11.944 659 HE2 HIS 102 HE2 HIS 102 5.191 8.162 12.304 660 H GLY 103 H GLY 103 4.104 5.284 5.424 661 HA2 GLY 103 1HA GLY 103 2.137 5.321 3.735 662 HA3 GLY 103 2HA GLY 103 2.680 6.971 3.496 663 H LEU 104 H LEU 104 5.527 5.903 3.979 664 HA LEU 104 HA LEU 104 6.441 5.837 1.399 665 HB2 LEU 104 1HB LEU 104 7.688 4.215 3.614 666 HB3 LEU 104 2HB LEU 104 8.489 4.858 2.197 667 HG LEU 104 HG LEU 104 7.491 6.380 4.599 668 HD11 LEU 104 1HD1 LEU 104 10.204 6.130 3.332 669 HD12 LEU 104 2HD1 LEU 104 9.669 5.332 4.810 670 HD13 LEU 104 3HD1 LEU 104 9.806 7.090 4.756 671 HD21 LEU 104 3HD2 LEU 104 8.234 8.411 3.482 672 HD22 LEU 104 1HD2 LEU 104 6.874 7.660 2.642 673 HD23 LEU 104 2HD2 LEU 104 8.513 7.492 2.003 674 H VAL 105 H VAL 105 5.420 3.081 3.352 675 HA VAL 105 HA VAL 105 4.919 1.600 0.842 676 HB VAL 105 HB VAL 105 5.266 -0.509 2.228 677 HG11 VAL 105 1HG1 VAL 105 7.657 1.238 1.643 678 HG12 VAL 105 2HG1 VAL 105 6.833 0.184 0.495 679 HG13 VAL 105 3HG1 VAL 105 7.696 -0.510 1.867 680 HG21 VAL 105 3HG2 VAL 105 6.622 -0.395 4.179 681 HG22 VAL 105 1HG2 VAL 105 5.266 0.707 4.393 682 HG23 VAL 105 2HG2 VAL 105 6.858 1.342 3.982 683 H ASN 106 H ASN 106 3.092 0.265 0.918 684 HA ASN 106 HA ASN 106 1.194 0.708 3.097 685 HB2 ASN 106 1HB ASN 106 1.190 2.487 1.130 686 HB3 ASN 106 2HB ASN 106 0.327 1.219 0.272 687 HD21 ASN 106 2HD2 ASN 106 -1.367 2.759 0.171 688 HD22 ASN 106 1HD2 ASN 106 -2.449 2.928 1.508 689 H VAL 107 H VAL 107 -0.506 -0.948 3.079 690 HA VAL 107 HA VAL 107 0.051 -3.111 1.152 691 HB VAL 107 HB VAL 107 -0.340 -4.766 3.012 692 HG11 VAL 107 1HG1 VAL 107 1.989 -4.667 3.797 693 HG12 VAL 107 2HG1 VAL 107 2.127 -3.026 3.163 694 HG13 VAL 107 3HG1 VAL 107 1.874 -4.379 2.061 695 HG21 VAL 107 3HG2 VAL 107 -1.298 -3.225 4.640 696 HG22 VAL 107 1HG2 VAL 107 0.241 -2.373 4.748 697 HG23 VAL 107 2HG2 VAL 107 0.120 -4.048 5.290 698 H GLY 108 H GLY 108 -1.546 -4.606 0.753 699 HA2 GLY 108 1HA GLY 108 -3.668 -5.391 0.439 700 HA3 GLY 108 2HA GLY 108 -4.050 -4.723 2.020 701 H CYS 109 H CYS 109 -3.150 -3.300 -1.117 702 HA CYS 109 HA CYS 109 -5.235 -1.303 -0.670 703 HB2 CYS 109 2HB CYS 109 -2.921 -1.381 -2.607 704 HB3 CYS 109 1HB CYS 109 -4.102 -0.083 -2.531 705 H THR 110 H THR 110 -7.081 -1.335 -1.719 706 HA THR 110 HA THR 110 -7.222 -2.683 -4.334 707 HB THR 110 HB THR 110 -9.750 -2.776 -3.763 708 HG1 THR 110 1HG THR 110 -8.864 -2.899 -1.091 709 HG21 THR 110 3HG2 THR 110 -8.382 -4.768 -3.961 710 HG22 THR 110 1HG2 THR 110 -9.462 -4.922 -2.577 711 HG23 THR 110 2HG2 THR 110 -7.759 -4.534 -2.328 712 HA PRO 111 HA PRO 111 -7.974 1.400 -6.042 713 HB2 PRO 111 2HB PRO 111 -9.434 -0.246 -8.042 714 HB3 PRO 111 1HB PRO 111 -8.214 1.008 -8.288 715 HG2 PRO 111 2HG PRO 111 -7.595 -1.574 -8.559 716 HG3 PRO 111 1HG PRO 111 -6.454 -0.425 -7.838 717 HD2 PRO 111 2HD PRO 111 -8.131 -2.505 -6.526 718 HD3 PRO 111 1HD PRO 111 -6.519 -1.910 -6.090 719 H ILE 112 H ILE 112 -9.411 2.609 -5.062 720 HA ILE 112 HA ILE 112 -12.193 1.675 -4.842 721 HB ILE 112 HB ILE 112 -11.090 1.965 -2.677 722 HG12 ILE 112 1HG1 ILE 112 -13.120 4.133 -3.251 723 HG13 ILE 112 2HG1 ILE 112 -13.470 2.475 -2.781 724 HG21 ILE 112 1HG2 ILE 112 -10.648 4.816 -3.537 725 HG22 ILE 112 2HG2 ILE 112 -9.406 3.588 -3.295 726 HG23 ILE 112 3HG2 ILE 112 -10.346 4.175 -1.925 727 HD11 ILE 112 3HD1 ILE 112 -13.732 3.982 -0.902 728 HD12 ILE 112 1HD1 ILE 112 -12.068 4.532 -1.094 729 HD13 ILE 112 2HD1 ILE 112 -12.395 2.866 -0.620 730 H ASN 113 H ASN 113 -13.859 3.057 -5.414 731 HA ASN 113 HA ASN 113 -13.039 5.506 -6.818 732 HB2 ASN 113 1HB ASN 113 -15.481 3.770 -7.236 733 HB3 ASN 113 2HB ASN 113 -15.202 5.305 -8.051 734 HD21 ASN 113 2HD2 ASN 113 -12.303 4.792 -8.272 735 HD22 ASN 113 1HD2 ASN 113 -12.139 3.634 -9.543 736 H ILE 114 H ILE 114 -13.170 7.068 -5.350 737 HA ILE 114 HA ILE 114 -15.375 7.061 -3.448 738 HB ILE 114 HB ILE 114 -13.910 9.134 -2.589 739 HG12 ILE 114 1HG1 ILE 114 -11.511 8.509 -2.730 740 HG13 ILE 114 2HG1 ILE 114 -11.922 7.262 -3.901 741 HG21 ILE 114 1HG2 ILE 114 -12.852 7.547 -1.019 742 HG22 ILE 114 2HG2 ILE 114 -13.418 6.218 -2.032 743 HG23 ILE 114 3HG2 ILE 114 -14.580 7.274 -1.230 744 HD11 ILE 114 3HD1 ILE 114 -12.735 9.003 -5.421 745 HD12 ILE 114 1HD1 ILE 114 -11.033 9.204 -5.008 746 HD13 ILE 114 2HD1 ILE 114 -12.252 10.227 -4.248 747 H GLY 115 H GLY 115 -14.412 8.709 -6.290 748 HA2 GLY 115 1HA GLY 115 -15.768 10.134 -7.532 749 HA3 GLY 115 2HA GLY 115 -16.841 10.282 -6.151 750 H LEU 116 H LEU 116 -13.685 10.846 -5.208 751 HA LEU 116 HA LEU 116 -14.093 13.741 -5.349 752 HB2 LEU 116 1HB LEU 116 -12.227 12.088 -3.646 753 HB3 LEU 116 2HB LEU 116 -12.147 13.833 -3.740 754 HG LEU 116 HG LEU 116 -14.608 13.783 -2.957 755 HD11 LEU 116 1HD1 LEU 116 -14.969 11.389 -3.281 756 HD12 LEU 116 2HD1 LEU 116 -15.224 11.866 -1.603 757 HD13 LEU 116 3HD1 LEU 116 -13.735 11.040 -2.069 758 HD21 LEU 116 3HD2 LEU 116 -12.361 12.978 -1.116 759 HD22 LEU 116 1HD2 LEU 116 -13.898 13.688 -0.612 760 HD23 LEU 116 2HD2 LEU 116 -12.778 14.621 -1.606 Start of MODEL 15 1 H1 LYS 10 1H LYS 10 -28.136 -8.085 2.154 2 H2 LYS 10 2H LYS 10 -28.654 -7.417 0.692 3 H3 LYS 10 3H LYS 10 -27.214 -6.891 1.396 4 HA LYS 10 HA LYS 10 -26.830 -8.366 -0.482 5 HB2 LYS 10 1HB LYS 10 -25.245 -9.861 0.657 6 HB3 LYS 10 2HB LYS 10 -25.155 -8.220 1.275 7 HG2 LYS 10 1HG LYS 10 -26.462 -8.872 3.227 8 HG3 LYS 10 2HG LYS 10 -26.576 -10.519 2.603 9 HD2 LYS 10 1HD LYS 10 -24.133 -10.714 2.695 10 HD3 LYS 10 2HD LYS 10 -24.028 -9.073 3.333 11 HE2 LYS 10 1HE LYS 10 -23.841 -10.695 5.130 12 HE3 LYS 10 2HE LYS 10 -25.329 -9.764 5.295 13 HZ1 LYS 10 3HZ LYS 10 -26.578 -11.588 4.417 14 HZ2 LYS 10 1HZ LYS 10 -25.618 -12.165 5.681 15 HZ3 LYS 10 2HZ LYS 10 -25.175 -12.465 4.079 16 H ALA 11 H ALA 11 -29.622 -8.969 0.350 17 HA ALA 11 HA ALA 11 -29.758 -11.815 0.692 18 HB1 ALA 11 3HB ALA 11 -31.923 -9.859 -0.076 19 HB2 ALA 11 1HB ALA 11 -31.515 -10.359 1.564 20 HB3 ALA 11 2HB ALA 11 -32.169 -11.533 0.422 21 H MET 12 H MET 12 -30.535 -9.603 -1.988 22 HA MET 12 HA MET 12 -29.821 -11.746 -3.858 23 HB2 MET 12 1HB MET 12 -32.274 -9.992 -4.091 24 HB3 MET 12 2HB MET 12 -31.699 -11.086 -5.338 25 HG2 MET 12 1HG MET 12 -32.079 -12.983 -3.848 26 HG3 MET 12 2HG MET 12 -32.654 -11.884 -2.597 27 HE1 MET 12 3HE MET 12 -34.917 -13.168 -2.312 28 HE2 MET 12 1HE MET 12 -34.384 -14.356 -3.500 29 HE3 MET 12 2HE MET 12 -35.977 -13.613 -3.650 30 H ALA 13 H ALA 13 -27.970 -10.882 -4.615 31 HA ALA 13 HA ALA 13 -27.534 -8.111 -5.027 32 HB1 ALA 13 3HB ALA 13 -25.697 -9.684 -4.657 33 HB2 ALA 13 1HB ALA 13 -25.484 -8.791 -6.164 34 HB3 ALA 13 2HB ALA 13 -26.051 -10.459 -6.201 35 H ASP 14 H ASP 14 -28.367 -10.771 -7.211 36 HA ASP 14 HA ASP 14 -29.836 -8.967 -8.894 37 HB2 ASP 14 1HB ASP 14 -28.660 -9.299 -10.946 38 HB3 ASP 14 2HB ASP 14 -27.462 -8.791 -9.766 39 H ILE 15 H ILE 15 -31.212 -10.078 -10.345 40 HA ILE 15 HA ILE 15 -31.634 -12.880 -9.564 41 HB ILE 15 HB ILE 15 -33.920 -12.609 -10.424 42 HG12 ILE 15 1HG1 ILE 15 -33.145 -9.717 -10.877 43 HG13 ILE 15 2HG1 ILE 15 -33.386 -10.903 -12.153 44 HG21 ILE 15 1HG2 ILE 15 -33.439 -12.129 -8.076 45 HG22 ILE 15 2HG2 ILE 15 -34.737 -11.099 -8.684 46 HG23 ILE 15 3HG2 ILE 15 -33.112 -10.445 -8.484 47 HD11 ILE 15 3HD1 ILE 15 -35.485 -9.975 -10.210 48 HD12 ILE 15 1HD1 ILE 15 -35.721 -11.115 -11.534 49 HD13 ILE 15 2HD1 ILE 15 -35.313 -9.434 -11.879 50 H GLY 16 H GLY 16 -29.887 -11.498 -11.730 51 HA2 GLY 16 1HA GLY 16 -29.339 -13.277 -13.535 52 HA3 GLY 16 2HA GLY 16 -30.943 -12.838 -14.110 53 H SER 17 H SER 17 -27.639 -12.039 -14.098 54 HA SER 17 HA SER 17 -27.989 -9.309 -14.961 55 HB2 SER 17 1HB SER 17 -25.522 -11.066 -14.950 56 HB3 SER 17 2HB SER 17 -25.544 -9.324 -15.234 57 HG SER 17 HG SER 17 -26.575 -10.514 -12.871 58 H THR 18 H THR 18 -29.535 -10.248 -16.624 59 HA THR 18 HA THR 18 -28.255 -11.389 -18.970 60 HB THR 18 HB THR 18 -30.348 -12.387 -18.306 61 HG1 THR 18 1HG THR 18 -29.905 -11.415 -20.714 62 HG21 THR 18 3HG2 THR 18 -31.550 -9.634 -18.603 63 HG22 THR 18 1HG2 THR 18 -31.326 -10.521 -17.095 64 HG23 THR 18 2HG2 THR 18 -32.456 -11.118 -18.310 65 H ALA 19 H ALA 19 -29.302 -8.336 -17.807 66 HA ALA 19 HA ALA 19 -29.051 -7.204 -20.512 67 HB1 ALA 19 3HB ALA 19 -31.310 -6.959 -19.617 68 HB2 ALA 19 1HB ALA 19 -30.520 -5.394 -19.805 69 HB3 ALA 19 2HB ALA 19 -30.663 -6.123 -18.205 70 H VAL 20 H VAL 20 -28.474 -6.556 -17.061 71 HA VAL 20 HA VAL 20 -26.850 -4.271 -17.577 72 HB VAL 20 HB VAL 20 -26.199 -4.436 -15.183 73 HG11 VAL 20 1HG1 VAL 20 -29.154 -4.641 -15.732 74 HG12 VAL 20 2HG1 VAL 20 -28.171 -3.181 -15.852 75 HG13 VAL 20 3HG1 VAL 20 -28.419 -3.950 -14.285 76 HG21 VAL 20 3HG2 VAL 20 -27.317 -6.078 -13.750 77 HG22 VAL 20 1HG2 VAL 20 -26.261 -6.861 -14.927 78 HG23 VAL 20 2HG2 VAL 20 -28.005 -6.852 -15.177 79 HA PRO 21 HA PRO 21 -23.108 -6.581 -18.380 80 HB2 PRO 21 2HB PRO 21 -21.583 -4.493 -19.098 81 HB3 PRO 21 1HB PRO 21 -22.867 -5.103 -20.147 82 HG2 PRO 21 2HG PRO 21 -22.829 -2.691 -18.398 83 HG3 PRO 21 1HG PRO 21 -23.587 -2.919 -19.982 84 HD2 PRO 21 2HD PRO 21 -24.892 -3.041 -17.521 85 HD3 PRO 21 1HD PRO 21 -25.517 -3.675 -19.054 86 H ARG 22 H ARG 22 -23.041 -7.054 -16.045 87 HA ARG 22 HA ARG 22 -22.114 -7.067 -13.983 88 HB2 ARG 22 1HB ARG 22 -19.957 -5.645 -15.519 89 HB3 ARG 22 2HB ARG 22 -19.820 -5.868 -13.782 90 HG2 ARG 22 1HG ARG 22 -18.614 -7.624 -14.791 91 HG3 ARG 22 2HG ARG 22 -20.107 -8.331 -14.179 92 HD2 ARG 22 1HD ARG 22 -21.065 -8.166 -16.456 93 HD3 ARG 22 2HD ARG 22 -19.511 -7.570 -17.033 94 HE ARG 22 HE ARG 22 -18.883 -9.913 -15.818 95 HH11 ARG 22 1HH1 ARG 22 -21.177 -9.027 -18.305 96 HH12 ARG 22 2HH1 ARG 22 -21.120 -10.575 -19.086 97 HH21 ARG 22 1HH2 ARG 22 -18.818 -11.957 -16.839 98 HH22 ARG 22 2HH2 ARG 22 -19.785 -12.237 -18.253 99 H ASP 23 H ASP 23 -23.943 -5.805 -13.292 100 HA ASP 23 HA ASP 23 -23.714 -2.950 -13.068 101 HB2 ASP 23 1HB ASP 23 -25.827 -2.984 -11.985 102 HB3 ASP 23 2HB ASP 23 -25.903 -4.238 -13.214 103 H VAL 24 H VAL 24 -22.752 -5.654 -11.195 104 HA VAL 24 HA VAL 24 -22.358 -4.159 -8.764 105 HB VAL 24 HB VAL 24 -22.861 -6.495 -8.519 106 HG11 VAL 24 1HG1 VAL 24 -22.079 -7.344 -10.644 107 HG12 VAL 24 2HG1 VAL 24 -21.374 -8.275 -9.322 108 HG13 VAL 24 3HG1 VAL 24 -20.405 -7.068 -10.165 109 HG21 VAL 24 3HG2 VAL 24 -19.976 -5.979 -7.824 110 HG22 VAL 24 1HG2 VAL 24 -20.981 -7.259 -7.143 111 HG23 VAL 24 2HG2 VAL 24 -21.383 -5.568 -6.844 112 H ASN 25 H ASN 25 -21.075 -2.456 -9.380 113 HA ASN 25 HA ASN 25 -18.496 -3.018 -10.640 114 HB2 ASN 25 1HB ASN 25 -20.047 -1.195 -11.479 115 HB3 ASN 25 2HB ASN 25 -19.700 -0.321 -9.992 116 HD21 ASN 25 2HD2 ASN 25 -19.191 0.426 -12.741 117 HD22 ASN 25 1HD2 ASN 25 -17.488 0.705 -12.863 118 H GLY 26 H GLY 26 -19.755 -1.119 -7.898 119 HA2 GLY 26 1HA GLY 26 -17.205 -0.650 -6.754 120 HA3 GLY 26 2HA GLY 26 -18.750 -0.450 -5.942 121 H GLY 27 H GLY 27 -19.570 -3.202 -6.346 122 HA2 GLY 27 1HA GLY 27 -19.101 -5.363 -5.563 123 HA3 GLY 27 2HA GLY 27 -17.581 -4.772 -4.904 124 H THR 28 H THR 28 -17.865 -3.145 -3.081 125 HA THR 28 HA THR 28 -19.904 -4.162 -1.245 126 HB THR 28 HB THR 28 -17.584 -2.344 -0.589 127 HG1 THR 28 1HG THR 28 -16.837 -4.356 -1.426 128 HG21 THR 28 3HG2 THR 28 -19.392 -4.068 1.100 129 HG22 THR 28 1HG2 THR 28 -19.276 -2.310 1.113 130 HG23 THR 28 2HG2 THR 28 -17.930 -3.285 1.699 131 HA PRO 29 HA PRO 29 -22.506 -0.804 -2.476 132 HB2 PRO 29 2HB PRO 29 -23.778 -0.754 0.098 133 HB3 PRO 29 1HB PRO 29 -24.392 -1.394 -1.423 134 HG2 PRO 29 2HG PRO 29 -23.180 -2.809 0.835 135 HG3 PRO 29 1HG PRO 29 -24.175 -3.443 -0.481 136 HD2 PRO 29 2HD PRO 29 -21.496 -3.924 -0.228 137 HD3 PRO 29 1HD PRO 29 -22.350 -3.920 -1.785 138 HA PRO 30 HA PRO 30 -21.076 2.462 0.663 139 HB2 PRO 30 2HB PRO 30 -20.035 1.852 3.024 140 HB3 PRO 30 1HB PRO 30 -21.782 1.838 2.782 141 HG2 PRO 30 2HG PRO 30 -19.860 -0.442 2.864 142 HG3 PRO 30 1HG PRO 30 -21.480 -0.322 3.570 143 HD2 PRO 30 2HD PRO 30 -20.913 -1.574 1.181 144 HD3 PRO 30 1HD PRO 30 -22.494 -0.925 1.619 145 H LYS 31 H LYS 31 -19.217 3.470 0.164 146 HA LYS 31 HA LYS 31 -16.940 1.825 -0.556 147 HB2 LYS 31 1HB LYS 31 -17.655 4.684 -1.066 148 HB3 LYS 31 2HB LYS 31 -16.041 4.082 -1.395 149 HG2 LYS 31 1HG LYS 31 -17.259 4.029 -3.431 150 HG3 LYS 31 2HG LYS 31 -17.079 2.363 -2.883 151 HD2 LYS 31 1HD LYS 31 -19.362 2.492 -1.921 152 HD3 LYS 31 2HD LYS 31 -19.528 4.101 -2.623 153 HE2 LYS 31 1HE LYS 31 -19.211 3.172 -4.850 154 HE3 LYS 31 2HE LYS 31 -19.007 1.563 -4.160 155 HZ1 LYS 31 3HZ LYS 31 -21.234 1.816 -4.957 156 HZ2 LYS 31 1HZ LYS 31 -21.458 3.229 -4.055 157 HZ3 LYS 31 2HZ LYS 31 -21.272 1.744 -3.267 158 H SER 32 H SER 32 -14.846 3.480 -0.257 159 HA SER 32 HA SER 32 -13.217 4.188 1.113 160 HB2 SER 32 1HB SER 32 -13.685 5.539 2.978 161 HB3 SER 32 2HB SER 32 -15.060 5.785 1.907 162 HG SER 32 HG SER 32 -16.106 4.078 3.212 163 H CYS 33 H CYS 33 -12.131 3.709 3.267 164 HA CYS 33 HA CYS 33 -12.201 0.831 3.520 165 HB2 CYS 33 2HB CYS 33 -10.351 2.853 4.800 166 HB3 CYS 33 1HB CYS 33 -10.121 1.109 4.783 167 H SER 34 H SER 34 -13.076 -0.277 5.147 168 HA SER 34 HA SER 34 -14.190 1.129 7.426 169 HB2 SER 34 1HB SER 34 -14.195 -1.832 6.787 170 HB3 SER 34 2HB SER 34 -15.192 -1.020 7.991 171 HG SER 34 HG SER 34 -16.321 -0.013 6.385 172 H SER 35 H SER 35 -11.273 -0.185 6.572 173 HA SER 35 HA SER 35 -10.448 -1.177 9.144 174 HB2 SER 35 1HB SER 35 -8.167 -1.158 7.986 175 HB3 SER 35 2HB SER 35 -9.404 -2.181 7.254 176 HG SER 35 HG SER 35 -8.187 0.110 6.289 177 H GLY 36 H GLY 36 -10.937 1.849 7.856 178 HA2 GLY 36 1HA GLY 36 -10.456 3.610 9.648 179 HA3 GLY 36 2HA GLY 36 -8.786 3.098 9.424 180 HA PRO 37 HA PRO 37 -9.104 6.710 6.596 181 HB2 PRO 37 2HB PRO 37 -6.190 6.147 6.642 182 HB3 PRO 37 1HB PRO 37 -7.038 7.686 6.799 183 HG2 PRO 37 2HG PRO 37 -5.944 6.501 8.922 184 HG3 PRO 37 1HG PRO 37 -7.491 7.370 9.041 185 HD2 PRO 37 2HD PRO 37 -6.956 4.430 8.982 186 HD3 PRO 37 1HD PRO 37 -8.206 5.339 9.851 187 H VAL 38 H VAL 38 -8.769 6.915 4.445 188 HA VAL 38 HA VAL 38 -8.139 4.528 2.895 189 HB VAL 38 HB VAL 38 -9.020 7.305 2.034 190 HG11 VAL 38 1HG1 VAL 38 -9.447 6.330 -0.158 191 HG12 VAL 38 2HG1 VAL 38 -8.776 4.793 0.390 192 HG13 VAL 38 3HG1 VAL 38 -7.740 6.215 0.273 193 HG21 VAL 38 3HG2 VAL 38 -11.172 6.254 1.595 194 HG22 VAL 38 1HG2 VAL 38 -10.713 6.088 3.291 195 HG23 VAL 38 2HG2 VAL 38 -10.543 4.718 2.191 196 H TYR 39 H TYR 39 -6.512 4.913 1.006 197 HA TYR 39 HA TYR 39 -4.420 6.724 1.982 198 HB2 TYR 39 2HB TYR 39 -3.960 3.898 1.038 199 HB3 TYR 39 1HB TYR 39 -2.711 5.041 1.503 200 HD1 TYR 39 1HD TYR 39 -2.586 5.822 3.884 201 HD2 TYR 39 2HD TYR 39 -5.134 2.639 2.675 202 HE1 TYR 39 1HE TYR 39 -2.749 5.074 6.220 203 HE2 TYR 39 2HE TYR 39 -5.305 1.881 5.009 204 HH TYR 39 HH TYR 39 -4.315 3.761 7.638 205 H CYS 40 H CYS 40 -3.390 7.875 0.570 206 HA CYS 40 HA CYS 40 -4.121 7.544 -2.253 207 HB2 CYS 40 2HB CYS 40 -4.701 9.689 -1.085 208 HB3 CYS 40 1HB CYS 40 -2.980 9.984 -0.887 209 H CYS 41 H CYS 41 -2.610 6.368 -3.263 210 HA CYS 41 HA CYS 41 0.188 6.675 -2.411 211 HB2 CYS 41 2HB CYS 41 -1.135 4.488 -4.027 212 HB3 CYS 41 1HB CYS 41 0.561 4.518 -3.544 213 H ASN 42 H ASN 42 1.652 7.499 -3.674 214 HA ASN 42 HA ASN 42 1.077 8.959 -5.970 215 HB2 ASN 42 1HB ASN 42 3.672 7.829 -4.927 216 HB3 ASN 42 2HB ASN 42 3.582 8.936 -6.293 217 HD21 ASN 42 2HD2 ASN 42 4.874 10.396 -5.109 218 HD22 ASN 42 1HD2 ASN 42 4.188 11.377 -3.861 219 H LYS 43 H LYS 43 1.782 5.640 -5.532 220 HA LYS 43 HA LYS 43 0.987 4.874 -8.131 221 HB2 LYS 43 1HB LYS 43 3.562 5.759 -8.076 222 HB3 LYS 43 2HB LYS 43 3.804 4.072 -7.676 223 HG2 LYS 43 1HG LYS 43 2.217 4.904 -10.081 224 HG3 LYS 43 2HG LYS 43 3.970 4.731 -10.129 225 HD2 LYS 43 1HD LYS 43 2.059 2.558 -9.283 226 HD3 LYS 43 2HD LYS 43 2.739 2.715 -10.902 227 HE2 LYS 43 1HE LYS 43 5.003 2.506 -9.942 228 HE3 LYS 43 2HE LYS 43 4.290 2.288 -8.345 229 HZ1 LYS 43 3HZ LYS 43 3.998 0.492 -10.687 230 HZ2 LYS 43 1HZ LYS 43 3.120 0.320 -9.248 231 HZ3 LYS 43 2HZ LYS 43 4.811 0.155 -9.238 232 H THR 44 H THR 44 -0.116 2.984 -7.527 233 HA THR 44 HA THR 44 0.889 1.500 -5.269 234 HB THR 44 HB THR 44 -0.873 -0.200 -5.951 235 HG1 THR 44 1HG THR 44 -2.335 1.610 -7.336 236 HG21 THR 44 3HG2 THR 44 -2.583 1.042 -4.877 237 HG22 THR 44 1HG2 THR 44 -1.878 2.583 -5.374 238 HG23 THR 44 2HG2 THR 44 -1.052 1.572 -4.187 239 H GLU 45 H GLU 45 1.573 -0.647 -5.291 240 HA GLU 45 HA GLU 45 2.920 -1.392 -7.803 241 HB2 GLU 45 1HB GLU 45 4.414 -0.461 -5.970 242 HB3 GLU 45 2HB GLU 45 3.998 -1.886 -5.025 243 HG2 GLU 45 1HG GLU 45 6.155 -2.069 -6.214 244 HG3 GLU 45 2HG GLU 45 5.000 -3.334 -6.632 245 H ASP 46 H ASP 46 2.886 -3.529 -8.354 246 HA ASP 46 HA ASP 46 0.584 -4.927 -7.430 247 HB2 ASP 46 1HB ASP 46 2.755 -5.730 -9.369 248 HB3 ASP 46 2HB ASP 46 1.322 -6.699 -9.045 249 H SER 47 H SER 47 0.492 -6.033 -5.617 250 HA SER 47 HA SER 47 2.690 -6.923 -4.121 251 HB2 SER 47 1HB SER 47 -0.169 -7.932 -4.074 252 HB3 SER 47 2HB SER 47 1.038 -8.212 -2.819 253 HG SER 47 HG SER 47 1.091 -5.680 -3.089 254 H LYS 48 H LYS 48 1.447 -8.208 -6.973 255 HA LYS 48 HA LYS 48 2.277 -10.932 -6.409 256 HB2 LYS 48 1HB LYS 48 1.248 -9.708 -8.971 257 HB3 LYS 48 2HB LYS 48 1.532 -11.419 -8.697 258 HG2 LYS 48 1HG LYS 48 -0.460 -9.726 -7.219 259 HG3 LYS 48 2HG LYS 48 -0.830 -10.812 -8.554 260 HD2 LYS 48 1HD LYS 48 0.052 -12.689 -7.192 261 HD3 LYS 48 2HD LYS 48 0.281 -11.563 -5.854 262 HE2 LYS 48 1HE LYS 48 -2.346 -12.213 -7.189 263 HE3 LYS 48 2HE LYS 48 -1.806 -12.831 -5.629 264 HZ1 LYS 48 3HZ LYS 48 -3.315 -10.977 -5.358 265 HZ2 LYS 48 1HZ LYS 48 -2.319 -9.980 -6.289 266 HZ3 LYS 48 2HZ LYS 48 -1.782 -10.556 -4.792 267 H HIS 49 H HIS 49 3.648 -8.044 -7.551 268 HA HIS 49 HA HIS 49 6.095 -9.378 -8.332 269 HB2 HIS 49 1HB HIS 49 4.314 -7.961 -10.259 270 HB3 HIS 49 2HB HIS 49 6.051 -7.829 -10.453 271 HD1 HIS 49 HD1 HIS 49 7.343 -10.109 -10.918 272 HD2 HIS 49 HD2 HIS 49 3.201 -10.284 -11.189 273 HE1 HIS 49 HE1 HIS 49 6.836 -12.249 -12.136 274 HE2 HIS 49 HE2 HIS 49 4.339 -12.228 -12.459 275 H LEU 50 H LEU 50 5.997 -7.871 -6.144 276 HA LEU 50 HA LEU 50 6.353 -5.132 -6.423 277 HB2 LEU 50 1HB LEU 50 7.463 -7.080 -4.425 278 HB3 LEU 50 2HB LEU 50 7.694 -5.359 -4.302 279 HG LEU 50 HG LEU 50 5.918 -5.727 -2.893 280 HD11 LEU 50 1HD1 LEU 50 3.962 -4.778 -3.911 281 HD12 LEU 50 2HD1 LEU 50 4.591 -5.151 -5.511 282 HD13 LEU 50 3HD1 LEU 50 5.413 -3.964 -4.494 283 HD21 LEU 50 3HD2 LEU 50 4.171 -7.239 -3.141 284 HD22 LEU 50 1HD2 LEU 50 5.644 -8.101 -3.585 285 HD23 LEU 50 2HD2 LEU 50 4.554 -7.517 -4.845 286 H ASP 51 H ASP 51 8.114 -3.836 -6.584 287 HA ASP 51 HA ASP 51 10.393 -4.702 -8.054 288 HB2 ASP 51 1HB ASP 51 9.402 -2.332 -7.942 289 HB3 ASP 51 2HB ASP 51 10.187 -2.192 -6.381 290 H LYS 52 H LYS 52 12.503 -5.079 -7.276 291 HA LYS 52 HA LYS 52 12.694 -6.122 -4.666 292 HB2 LYS 52 1HB LYS 52 15.151 -6.207 -5.096 293 HB3 LYS 52 2HB LYS 52 14.158 -7.036 -6.283 294 HG2 LYS 52 1HG LYS 52 15.703 -5.956 -7.604 295 HG3 LYS 52 2HG LYS 52 14.349 -4.827 -7.623 296 HD2 LYS 52 1HD LYS 52 16.319 -3.545 -7.272 297 HD3 LYS 52 2HD LYS 52 15.458 -3.619 -5.731 298 HE2 LYS 52 1HE LYS 52 17.874 -3.951 -5.453 299 HE3 LYS 52 2HE LYS 52 16.950 -5.363 -4.950 300 HZ1 LYS 52 3HZ LYS 52 18.325 -5.064 -7.562 301 HZ2 LYS 52 1HZ LYS 52 17.491 -6.437 -7.031 302 HZ3 LYS 52 2HZ LYS 52 18.911 -5.951 -6.252 303 H GLY 53 H GLY 53 13.061 -2.944 -5.910 304 HA2 GLY 53 1HA GLY 53 14.459 -1.861 -3.659 305 HA3 GLY 53 2HA GLY 53 13.522 -0.958 -4.844 306 H THR 54 H THR 54 11.079 -2.424 -4.472 307 HA THR 54 HA THR 54 10.122 -1.165 -2.068 308 HB THR 54 HB THR 54 8.647 -3.023 -3.951 309 HG1 THR 54 1HG THR 54 8.866 -0.173 -3.895 310 HG21 THR 54 3HG2 THR 54 7.636 -1.064 -1.882 311 HG22 THR 54 1HG2 THR 54 7.529 -2.824 -1.795 312 HG23 THR 54 2HG2 THR 54 6.624 -1.945 -3.030 313 H THR 55 H THR 55 10.587 -4.492 -3.207 314 HA THR 55 HA THR 55 9.832 -5.921 -0.967 315 HB THR 55 HB THR 55 12.234 -6.425 -2.739 316 HG1 THR 55 1HG THR 55 9.962 -7.950 -3.087 317 HG21 THR 55 3HG2 THR 55 12.035 -8.756 -2.041 318 HG22 THR 55 1HG2 THR 55 10.712 -8.325 -0.957 319 HG23 THR 55 2HG2 THR 55 12.335 -7.700 -0.659 320 H ALA 56 H ALA 56 12.746 -4.092 -1.604 321 HA ALA 56 HA ALA 56 14.288 -4.747 0.596 322 HB1 ALA 56 3HB ALA 56 14.007 -2.089 -0.800 323 HB2 ALA 56 1HB ALA 56 15.132 -3.385 -1.212 324 HB3 ALA 56 2HB ALA 56 15.312 -2.514 0.312 325 H LEU 57 H LEU 57 11.926 -2.045 0.368 326 HA LEU 57 HA LEU 57 12.219 -1.171 3.024 327 HB2 LEU 57 1HB LEU 57 9.722 -1.033 1.347 328 HB3 LEU 57 2HB LEU 57 10.029 -0.111 2.800 329 HG LEU 57 HG LEU 57 10.679 1.520 1.451 330 HD11 LEU 57 1HD1 LEU 57 12.993 -0.207 0.638 331 HD12 LEU 57 2HD1 LEU 57 12.886 0.606 2.200 332 HD13 LEU 57 3HD1 LEU 57 12.934 1.555 0.712 333 HD21 LEU 57 3HD2 LEU 57 9.557 0.199 -0.378 334 HD22 LEU 57 1HD2 LEU 57 11.163 -0.383 -0.807 335 HD23 LEU 57 2HD2 LEU 57 10.800 1.342 -0.897 336 H LEU 58 H LEU 58 9.984 -3.433 1.541 337 HA LEU 58 HA LEU 58 8.446 -4.052 3.782 338 HB2 LEU 58 1HB LEU 58 9.244 -5.944 1.580 339 HB3 LEU 58 2HB LEU 58 7.822 -6.060 2.597 340 HG LEU 58 HG LEU 58 8.326 -3.854 0.587 341 HD11 LEU 58 1HD1 LEU 58 6.459 -6.218 0.481 342 HD12 LEU 58 2HD1 LEU 58 7.930 -6.023 -0.473 343 HD13 LEU 58 3HD1 LEU 58 6.570 -4.926 -0.717 344 HD21 LEU 58 3HD2 LEU 58 6.957 -3.139 2.483 345 HD22 LEU 58 1HD2 LEU 58 5.884 -4.516 2.236 346 HD23 LEU 58 2HD2 LEU 58 6.000 -3.255 1.007 347 H GLY 59 H GLY 59 11.403 -5.546 2.532 348 HA2 GLY 59 1HA GLY 59 11.735 -7.470 4.522 349 HA3 GLY 59 2HA GLY 59 13.036 -6.754 3.586 350 H LEU 60 H LEU 60 12.655 -4.051 4.499 351 HA LEU 60 HA LEU 60 14.260 -4.026 6.802 352 HB2 LEU 60 1HB LEU 60 12.384 -1.831 5.907 353 HB3 LEU 60 2HB LEU 60 13.782 -1.649 6.947 354 HG LEU 60 HG LEU 60 13.722 -2.172 3.986 355 HD11 LEU 60 1HD1 LEU 60 15.053 -0.059 5.671 356 HD12 LEU 60 2HD1 LEU 60 13.575 0.146 4.734 357 HD13 LEU 60 3HD1 LEU 60 15.102 -0.175 3.913 358 HD21 LEU 60 3HD2 LEU 60 16.148 -2.434 4.080 359 HD22 LEU 60 1HD2 LEU 60 15.323 -3.714 4.969 360 HD23 LEU 60 2HD2 LEU 60 16.088 -2.386 5.841 361 H LEU 61 H LEU 61 10.823 -3.527 6.381 362 HA LEU 61 HA LEU 61 10.353 -3.269 9.230 363 HB2 LEU 61 1HB LEU 61 8.384 -3.374 6.950 364 HB3 LEU 61 2HB LEU 61 8.053 -2.846 8.590 365 HG LEU 61 HG LEU 61 10.197 -1.405 7.127 366 HD11 LEU 61 1HD1 LEU 61 7.270 -1.052 6.531 367 HD12 LEU 61 2HD1 LEU 61 8.501 -1.638 5.413 368 HD13 LEU 61 3HD1 LEU 61 8.566 0.021 6.005 369 HD21 LEU 61 3HD2 LEU 61 9.199 0.505 8.293 370 HD22 LEU 61 1HD2 LEU 61 9.621 -0.797 9.411 371 HD23 LEU 61 2HD2 LEU 61 7.940 -0.554 8.933 372 H ASN 62 H ASN 62 10.807 -5.788 7.208 373 HA ASN 62 HA ASN 62 10.602 -8.026 7.409 374 HB2 ASN 62 1HB ASN 62 9.565 -7.341 10.153 375 HB3 ASN 62 2HB ASN 62 9.874 -8.981 9.601 376 HD21 ASN 62 2HD2 ASN 62 11.264 -5.991 10.630 377 HD22 ASN 62 1HD2 ASN 62 12.895 -6.552 10.755 378 H ILE 63 H ILE 63 8.574 -6.489 6.187 379 HA ILE 63 HA ILE 63 6.050 -7.741 6.797 380 HB ILE 63 HB ILE 63 6.917 -6.083 4.417 381 HG12 ILE 63 1HG1 ILE 63 5.134 -5.225 6.683 382 HG13 ILE 63 2HG1 ILE 63 6.886 -5.084 6.796 383 HG21 ILE 63 1HG2 ILE 63 5.013 -7.515 3.870 384 HG22 ILE 63 2HG2 ILE 63 4.533 -5.818 3.951 385 HG23 ILE 63 3HG2 ILE 63 4.145 -6.908 5.283 386 HD11 ILE 63 3HD1 ILE 63 6.944 -3.631 4.912 387 HD12 ILE 63 1HD1 ILE 63 5.769 -3.015 6.074 388 HD13 ILE 63 2HD1 ILE 63 5.216 -3.862 4.623 389 H LYS 64 H LYS 64 5.056 -9.332 5.594 390 HA LYS 64 HA LYS 64 6.937 -11.030 4.151 391 HB2 LYS 64 1HB LYS 64 5.054 -12.747 4.367 392 HB3 LYS 64 2HB LYS 64 5.886 -12.280 5.839 393 HG2 LYS 64 1HG LYS 64 3.354 -10.909 5.052 394 HG3 LYS 64 2HG LYS 64 3.302 -12.491 5.819 395 HD2 LYS 64 1HD LYS 64 4.718 -10.091 6.974 396 HD3 LYS 64 2HD LYS 64 3.070 -10.557 7.385 397 HE2 LYS 64 1HE LYS 64 3.913 -12.733 8.168 398 HE3 LYS 64 2HE LYS 64 5.558 -12.205 7.813 399 HZ1 LYS 64 3HZ LYS 64 3.713 -10.924 9.755 400 HZ2 LYS 64 1HZ LYS 64 5.288 -10.413 9.412 401 HZ3 LYS 64 2HZ LYS 64 5.028 -11.912 10.146 402 H ILE 65 H ILE 65 6.973 -11.017 2.075 403 HA ILE 65 HA ILE 65 5.170 -9.481 0.523 404 HB ILE 65 HB ILE 65 7.478 -11.270 -0.223 405 HG12 ILE 65 1HG1 ILE 65 8.476 -9.124 -0.995 406 HG13 ILE 65 2HG1 ILE 65 7.052 -8.283 -0.404 407 HG21 ILE 65 1HG2 ILE 65 5.761 -11.360 -2.001 408 HG22 ILE 65 2HG2 ILE 65 7.260 -10.590 -2.520 409 HG23 ILE 65 3HG2 ILE 65 5.855 -9.601 -2.126 410 HD11 ILE 65 3HD1 ILE 65 9.017 -9.827 1.279 411 HD12 ILE 65 1HD1 ILE 65 7.598 -8.962 1.874 412 HD13 ILE 65 2HD1 ILE 65 8.931 -8.069 1.133 413 H GLY 66 H GLY 66 5.548 -12.896 1.176 414 HA2 GLY 66 1HA GLY 66 3.888 -13.840 -0.931 415 HA3 GLY 66 2HA GLY 66 4.367 -14.743 0.497 416 H ASP 67 H ASP 67 3.167 -12.343 2.051 417 HA ASP 67 HA ASP 67 0.489 -13.501 2.172 418 HB2 ASP 67 1HB ASP 67 1.683 -13.310 4.280 419 HB3 ASP 67 2HB ASP 67 1.929 -11.590 4.017 420 H LEU 68 H LEU 68 2.096 -10.826 0.883 421 HA LEU 68 HA LEU 68 0.285 -8.740 1.172 422 HB2 LEU 68 1HB LEU 68 2.138 -9.397 -1.110 423 HB3 LEU 68 2HB LEU 68 1.259 -7.885 -0.969 424 HG LEU 68 HG LEU 68 3.279 -8.887 1.034 425 HD11 LEU 68 1HD1 LEU 68 4.713 -7.121 0.161 426 HD12 LEU 68 2HD1 LEU 68 3.502 -6.726 -1.058 427 HD13 LEU 68 3HD1 LEU 68 4.317 -8.290 -1.096 428 HD21 LEU 68 3HD2 LEU 68 1.520 -7.482 1.991 429 HD22 LEU 68 1HD2 LEU 68 1.852 -6.246 0.779 430 HD23 LEU 68 2HD2 LEU 68 3.080 -6.654 1.982 431 H LYS 69 H LYS 69 -1.573 -8.202 0.289 432 HA LYS 69 HA LYS 69 -2.959 -10.369 -1.052 433 HB2 LYS 69 1HB LYS 69 -3.986 -7.809 0.181 434 HB3 LYS 69 2HB LYS 69 -5.006 -9.018 -0.574 435 HG2 LYS 69 1HG LYS 69 -5.182 -9.457 1.697 436 HG3 LYS 69 2HG LYS 69 -4.030 -10.655 1.112 437 HD2 LYS 69 1HD LYS 69 -2.180 -9.259 1.915 438 HD3 LYS 69 2HD LYS 69 -3.340 -8.063 2.498 439 HE2 LYS 69 1HE LYS 69 -2.558 -9.483 4.320 440 HE3 LYS 69 2HE LYS 69 -4.281 -9.720 4.030 441 HZ1 LYS 69 3HZ LYS 69 -2.144 -11.491 2.973 442 HZ2 LYS 69 1HZ LYS 69 -3.813 -11.747 2.869 443 HZ3 LYS 69 2HZ LYS 69 -3.039 -11.805 4.373 444 H ASP 70 H ASP 70 -3.657 -6.945 -1.463 445 HA ASP 70 HA ASP 70 -4.208 -7.485 -4.261 446 HB2 ASP 70 1HB ASP 70 -4.803 -5.080 -2.533 447 HB3 ASP 70 2HB ASP 70 -5.335 -5.278 -4.196 448 H LEU 71 H LEU 71 -3.433 -4.261 -3.319 449 HA LEU 71 HA LEU 71 -0.871 -4.415 -4.766 450 HB2 LEU 71 1HB LEU 71 -2.765 -2.111 -4.346 451 HB3 LEU 71 2HB LEU 71 -1.115 -1.892 -4.878 452 HG LEU 71 HG LEU 71 -2.152 -1.807 -6.870 453 HD11 LEU 71 1HD1 LEU 71 -0.630 -3.642 -7.047 454 HD12 LEU 71 2HD1 LEU 71 -2.042 -3.933 -8.062 455 HD13 LEU 71 3HD1 LEU 71 -1.875 -4.775 -6.520 456 HD21 LEU 71 3HD2 LEU 71 -4.203 -3.834 -6.015 457 HD22 LEU 71 1HD2 LEU 71 -4.236 -2.829 -7.464 458 HD23 LEU 71 2HD2 LEU 71 -4.398 -2.086 -5.869 459 H VAL 72 H VAL 72 0.777 -2.916 -4.005 460 HA VAL 72 HA VAL 72 0.479 -2.149 -1.172 461 HB VAL 72 HB VAL 72 2.566 -2.783 -0.620 462 HG11 VAL 72 1HG1 VAL 72 2.273 -4.351 -3.162 463 HG12 VAL 72 2HG1 VAL 72 1.830 -4.838 -1.528 464 HG13 VAL 72 3HG1 VAL 72 3.530 -4.656 -1.964 465 HG21 VAL 72 3HG2 VAL 72 3.839 -1.146 -1.640 466 HG22 VAL 72 1HG2 VAL 72 3.417 -1.695 -3.267 467 HG23 VAL 72 2HG2 VAL 72 4.532 -2.641 -2.285 468 H GLY 73 H GLY 73 1.844 -0.068 -0.763 469 HA2 GLY 73 1HA GLY 73 1.846 1.561 -3.193 470 HA3 GLY 73 2HA GLY 73 0.937 2.110 -1.799 471 H LEU 74 H LEU 74 3.500 2.993 -3.333 472 HA LEU 74 HA LEU 74 5.078 3.312 -0.896 473 HB2 LEU 74 1HB LEU 74 6.996 3.796 -2.139 474 HB3 LEU 74 2HB LEU 74 6.251 2.444 -2.947 475 HG LEU 74 HG LEU 74 7.133 3.820 -4.627 476 HD11 LEU 74 1HD1 LEU 74 4.189 4.388 -4.462 477 HD12 LEU 74 2HD1 LEU 74 4.969 2.993 -5.219 478 HD13 LEU 74 3HD1 LEU 74 5.193 4.612 -5.898 479 HD21 LEU 74 3HD2 LEU 74 7.511 5.839 -3.325 480 HD22 LEU 74 1HD2 LEU 74 5.785 6.200 -3.357 481 HD23 LEU 74 2HD2 LEU 74 6.718 6.210 -4.855 482 H ASN 75 H ASN 75 5.211 5.125 0.114 483 HA ASN 75 HA ASN 75 4.941 7.276 0.749 484 HB2 ASN 75 1HB ASN 75 6.309 7.390 -1.540 485 HB3 ASN 75 2HB ASN 75 4.869 8.264 -2.054 486 HD21 ASN 75 2HD2 ASN 75 7.500 8.173 0.235 487 HD22 ASN 75 1HD2 ASN 75 7.470 9.857 0.610 488 H CYS 76 H CYS 76 2.702 6.098 0.997 489 HA CYS 76 HA CYS 76 0.609 7.421 -0.540 490 HB2 CYS 76 2HB CYS 76 0.315 5.326 1.619 491 HB3 CYS 76 1HB CYS 76 -0.895 5.818 0.438 492 H SER 77 H SER 77 -0.786 8.874 0.277 493 HA SER 77 HA SER 77 -0.228 9.960 2.928 494 HB2 SER 77 1HB SER 77 -0.371 11.503 0.984 495 HB3 SER 77 2HB SER 77 -2.047 11.012 0.744 496 HG SER 77 HG SER 77 -0.969 12.761 2.554 497 HA PRO 78 HA PRO 78 -3.798 7.677 4.425 498 HB2 PRO 78 2HB PRO 78 -3.307 9.067 6.953 499 HB3 PRO 78 1HB PRO 78 -3.225 7.340 6.595 500 HG2 PRO 78 2HG PRO 78 -1.019 8.811 7.102 501 HG3 PRO 78 1HG PRO 78 -1.009 7.435 5.985 502 HD2 PRO 78 2HD PRO 78 -1.128 10.368 5.378 503 HD3 PRO 78 1HD PRO 78 -0.195 9.086 4.577 504 H LEU 79 H LEU 79 -5.756 8.309 3.954 505 HA LEU 79 HA LEU 79 -6.603 11.067 4.540 506 HB2 LEU 79 1HB LEU 79 -8.137 9.101 2.872 507 HB3 LEU 79 2HB LEU 79 -8.139 10.851 2.783 508 HG LEU 79 HG LEU 79 -5.786 9.150 1.963 509 HD11 LEU 79 1HD1 LEU 79 -7.696 8.614 0.563 510 HD12 LEU 79 2HD1 LEU 79 -6.492 9.537 -0.335 511 HD13 LEU 79 3HD1 LEU 79 -7.959 10.331 0.243 512 HD21 LEU 79 3HD2 LEU 79 -5.180 11.414 2.511 513 HD22 LEU 79 1HD2 LEU 79 -6.480 12.043 1.497 514 HD23 LEU 79 2HD2 LEU 79 -5.120 11.196 0.760 515 H SER 80 H SER 80 -7.128 10.764 6.749 516 HA SER 80 HA SER 80 -8.790 8.537 7.535 517 HB2 SER 80 1HB SER 80 -7.016 9.403 9.025 518 HB3 SER 80 2HB SER 80 -7.881 10.926 9.151 519 HG SER 80 HG SER 80 -9.231 8.551 9.776 520 H VAL 81 H VAL 81 -9.220 11.903 6.739 521 HA VAL 81 HA VAL 81 -12.050 11.673 7.464 522 HB VAL 81 HB VAL 81 -12.112 14.173 7.174 523 HG11 VAL 81 1HG1 VAL 81 -11.097 14.607 9.375 524 HG12 VAL 81 2HG1 VAL 81 -10.310 13.030 9.307 525 HG13 VAL 81 3HG1 VAL 81 -12.070 13.136 9.369 526 HG21 VAL 81 3HG2 VAL 81 -10.080 14.454 5.850 527 HG22 VAL 81 1HG2 VAL 81 -9.109 13.854 7.193 528 HG23 VAL 81 2HG2 VAL 81 -9.977 15.381 7.347 529 H ILE 82 H ILE 82 -13.069 10.809 5.801 530 HA ILE 82 HA ILE 82 -12.531 11.740 3.088 531 HB ILE 82 HB ILE 82 -14.249 9.466 4.042 532 HG12 ILE 82 1HG1 ILE 82 -11.834 9.199 4.528 533 HG13 ILE 82 2HG1 ILE 82 -12.432 8.032 3.368 534 HG21 ILE 82 1HG2 ILE 82 -14.304 8.751 1.733 535 HG22 ILE 82 2HG2 ILE 82 -13.282 10.107 1.260 536 HG23 ILE 82 3HG2 ILE 82 -14.915 10.403 1.856 537 HD11 ILE 82 3HD1 ILE 82 -11.476 9.357 1.546 538 HD12 ILE 82 1HD1 ILE 82 -10.257 8.850 2.713 539 HD13 ILE 82 2HD1 ILE 82 -10.857 10.508 2.730 540 H GLY 83 H GLY 83 -14.055 12.764 1.842 541 HA2 GLY 83 1HA GLY 83 -16.818 12.865 2.723 542 HA3 GLY 83 2HA GLY 83 -15.975 14.403 2.735 543 H VAL 84 H VAL 84 -14.739 14.842 0.614 544 HA VAL 84 HA VAL 84 -16.647 14.429 -1.552 545 HB VAL 84 HB VAL 84 -15.279 16.117 -2.787 546 HG11 VAL 84 1HG1 VAL 84 -16.020 18.029 -1.438 547 HG12 VAL 84 2HG1 VAL 84 -16.310 16.947 -0.077 548 HG13 VAL 84 3HG1 VAL 84 -17.261 16.781 -1.554 549 HG21 VAL 84 3HG2 VAL 84 -13.650 17.450 -1.515 550 HG22 VAL 84 1HG2 VAL 84 -13.137 15.773 -1.690 551 HG23 VAL 84 2HG2 VAL 84 -13.809 16.336 -0.160 552 H GLY 85 H GLY 85 -15.418 12.117 -0.940 553 HA2 GLY 85 1HA GLY 85 -14.512 10.349 -2.121 554 HA3 GLY 85 2HA GLY 85 -14.112 11.466 -3.419 555 H GLY 86 H GLY 86 -12.016 11.434 -3.809 556 HA2 GLY 86 1HA GLY 86 -10.132 10.726 -1.724 557 HA3 GLY 86 2HA GLY 86 -9.764 10.991 -3.422 558 H ASN 87 H ASN 87 -10.948 12.840 -0.619 559 HA ASN 87 HA ASN 87 -9.716 15.258 -1.570 560 HB2 ASN 87 1HB ASN 87 -10.416 16.191 0.649 561 HB3 ASN 87 2HB ASN 87 -11.733 15.504 -0.291 562 HD21 ASN 87 2HD2 ASN 87 -9.813 15.241 2.561 563 HD22 ASN 87 1HD2 ASN 87 -10.733 13.982 3.318 564 H SER 88 H SER 88 -8.001 16.379 -0.573 565 HA SER 88 HA SER 88 -5.836 16.514 0.083 566 HB2 SER 88 1HB SER 88 -6.633 14.370 2.071 567 HB3 SER 88 2HB SER 88 -5.174 15.356 2.152 568 HG SER 88 HG SER 88 -6.524 17.198 2.345 569 H CYS 89 H CYS 89 -6.616 14.720 -2.034 570 HA CYS 89 HA CYS 89 -4.298 12.948 -2.032 571 HB2 CYS 89 2HB CYS 89 -5.997 11.439 -1.355 572 HB3 CYS 89 1HB CYS 89 -7.154 12.098 -2.502 573 H SER 90 H SER 90 -3.196 13.935 -3.601 574 HA SER 90 HA SER 90 -4.580 14.597 -6.104 575 HB2 SER 90 1HB SER 90 -1.786 15.387 -5.255 576 HB3 SER 90 2HB SER 90 -2.741 16.073 -6.571 577 HG SER 90 HG SER 90 -4.217 16.294 -4.412 578 H ALA 91 H ALA 91 -3.264 12.022 -4.853 579 HA ALA 91 HA ALA 91 -1.874 11.196 -7.312 580 HB1 ALA 91 3HB ALA 91 -0.719 9.519 -5.919 581 HB2 ALA 91 1HB ALA 91 -1.508 10.185 -4.492 582 HB3 ALA 91 2HB ALA 91 -0.370 11.170 -5.412 583 H GLN 92 H GLN 92 -1.947 8.393 -6.567 584 HA GLN 92 HA GLN 92 -4.604 7.846 -7.546 585 HB2 GLN 92 1HB GLN 92 -3.377 6.351 -8.674 586 HB3 GLN 92 2HB GLN 92 -1.999 6.579 -7.606 587 HG2 GLN 92 1HG GLN 92 -2.720 4.898 -6.150 588 HG3 GLN 92 2HG GLN 92 -4.314 4.821 -6.881 589 HE21 GLN 92 2HE2 GLN 92 -1.363 5.065 -8.729 590 HE22 GLN 92 1HE2 GLN 92 -1.438 3.474 -9.405 591 H THR 93 H THR 93 -6.276 7.257 -6.310 592 HA THR 93 HA THR 93 -5.775 6.921 -3.468 593 HB THR 93 HB THR 93 -8.563 6.964 -4.453 594 HG1 THR 93 1HG THR 93 -6.784 9.188 -4.694 595 HG21 THR 93 3HG2 THR 93 -8.015 7.008 -2.069 596 HG22 THR 93 1HG2 THR 93 -8.796 8.515 -2.552 597 HG23 THR 93 2HG2 THR 93 -7.048 8.465 -2.310 598 H VAL 94 H VAL 94 -5.771 5.026 -2.560 599 HA VAL 94 HA VAL 94 -7.425 2.872 -3.681 600 HB VAL 94 HB VAL 94 -5.613 1.257 -2.967 601 HG11 VAL 94 1HG1 VAL 94 -6.010 1.708 -5.304 602 HG12 VAL 94 2HG1 VAL 94 -4.282 1.584 -5.014 603 HG13 VAL 94 3HG1 VAL 94 -5.026 3.168 -5.222 604 HG21 VAL 94 3HG2 VAL 94 -3.332 2.118 -2.828 605 HG22 VAL 94 1HG2 VAL 94 -4.350 2.782 -1.550 606 HG23 VAL 94 2HG2 VAL 94 -3.945 3.768 -2.956 607 H CYS 95 H CYS 95 -7.853 1.150 -2.146 608 HA CYS 95 HA CYS 95 -8.050 2.185 0.599 609 HB2 CYS 95 2HB CYS 95 -10.202 1.691 -0.601 610 HB3 CYS 95 1HB CYS 95 -9.707 0.003 -0.694 611 H CYS 96 H CYS 96 -6.523 1.362 1.856 612 HA CYS 96 HA CYS 96 -5.467 -1.312 1.224 613 HB2 CYS 96 2HB CYS 96 -4.063 0.870 2.762 614 HB3 CYS 96 1HB CYS 96 -3.356 -0.585 2.061 615 H THR 97 H THR 97 -4.824 -2.660 2.989 616 HA THR 97 HA THR 97 -6.847 -2.566 5.049 617 HB THR 97 HB THR 97 -6.231 -4.688 3.885 618 HG1 THR 97 1HG THR 97 -7.272 -4.958 5.812 619 HG21 THR 97 3HG2 THR 97 -3.803 -4.369 3.783 620 HG22 THR 97 1HG2 THR 97 -4.221 -5.892 4.568 621 HG23 THR 97 2HG2 THR 97 -3.713 -4.512 5.540 622 H ASN 98 H ASN 98 -3.477 -1.866 4.741 623 HA ASN 98 HA ASN 98 -3.397 -0.746 7.401 624 HB2 ASN 98 1HB ASN 98 -1.782 -3.167 6.656 625 HB3 ASN 98 2HB ASN 98 -1.105 -1.977 7.755 626 HD21 ASN 98 2HD2 ASN 98 -3.607 -1.344 9.048 627 HD22 ASN 98 1HD2 ASN 98 -4.012 -2.709 10.025 628 H THR 99 H THR 99 -1.314 0.437 7.744 629 HA THR 99 HA THR 99 0.083 1.005 5.227 630 HB THR 99 HB THR 99 -1.456 2.879 5.737 631 HG1 THR 99 1HG THR 99 0.550 3.255 4.661 632 HG21 THR 99 3HG2 THR 99 0.231 3.209 8.218 633 HG22 THR 99 1HG2 THR 99 -1.474 2.760 8.170 634 HG23 THR 99 2HG2 THR 99 -0.967 4.364 7.637 635 H TYR 100 H TYR 100 2.259 1.358 5.385 636 HA TYR 100 HA TYR 100 3.460 0.924 8.027 637 HB2 TYR 100 2HB TYR 100 3.971 -0.417 5.396 638 HB3 TYR 100 1HB TYR 100 5.261 -0.302 6.577 639 HD1 TYR 100 2HD TYR 100 4.921 -1.378 8.847 640 HD2 TYR 100 1HD TYR 100 2.247 -2.009 5.596 641 HE1 TYR 100 2HE TYR 100 4.023 -3.370 9.976 642 HE2 TYR 100 1HE TYR 100 1.343 -4.001 6.719 643 HH TYR 100 HH TYR 100 2.094 -5.659 8.429 644 H GLN 101 H GLN 101 5.307 2.102 8.474 645 HA GLN 101 HA GLN 101 6.763 3.846 8.362 646 HB2 GLN 101 1HB GLN 101 6.657 2.953 5.507 647 HB3 GLN 101 2HB GLN 101 7.527 4.419 5.923 648 HG2 GLN 101 1HG GLN 101 8.047 1.812 7.294 649 HG3 GLN 101 2HG GLN 101 8.853 2.273 5.799 650 HE21 GLN 101 2HE2 GLN 101 8.848 5.107 6.568 651 HE22 GLN 101 1HE2 GLN 101 10.109 5.279 7.719 652 H HIS 102 H HIS 102 3.848 4.208 8.139 653 HA HIS 102 HA HIS 102 2.323 5.859 7.983 654 HB2 HIS 102 1HB HIS 102 4.817 7.544 7.899 655 HB3 HIS 102 2HB HIS 102 3.201 8.244 7.895 656 HD1 HIS 102 HD1 HIS 102 1.970 8.349 10.102 657 HD2 HIS 102 HD2 HIS 102 5.508 6.185 10.316 658 HE1 HIS 102 HE1 HIS 102 2.352 7.924 12.547 659 HE2 HIS 102 HE2 HIS 102 4.475 6.574 12.655 660 H GLY 103 H GLY 103 3.858 4.760 5.419 661 HA2 GLY 103 1HA GLY 103 2.015 5.221 3.583 662 HA3 GLY 103 2HA GLY 103 2.858 6.759 3.551 663 H LEU 104 H LEU 104 5.476 5.374 4.087 664 HA LEU 104 HA LEU 104 6.375 5.344 1.463 665 HB2 LEU 104 1HB LEU 104 7.682 3.793 3.686 666 HB3 LEU 104 2HB LEU 104 8.446 4.454 2.257 667 HG LEU 104 HG LEU 104 7.451 5.928 4.674 668 HD11 LEU 104 1HD1 LEU 104 10.127 5.845 3.309 669 HD12 LEU 104 2HD1 LEU 104 9.686 4.944 4.759 670 HD13 LEU 104 3HD1 LEU 104 9.733 6.708 4.797 671 HD21 LEU 104 3HD2 LEU 104 8.045 8.002 3.563 672 HD22 LEU 104 1HD2 LEU 104 6.696 7.190 2.769 673 HD23 LEU 104 2HD2 LEU 104 8.312 7.120 2.061 674 H VAL 105 H VAL 105 5.274 2.682 3.465 675 HA VAL 105 HA VAL 105 4.970 1.070 1.009 676 HB VAL 105 HB VAL 105 5.281 -0.936 2.687 677 HG11 VAL 105 1HG1 VAL 105 6.674 -0.532 0.720 678 HG12 VAL 105 2HG1 VAL 105 7.653 -1.047 2.094 679 HG13 VAL 105 3HG1 VAL 105 7.619 0.653 1.623 680 HG21 VAL 105 3HG2 VAL 105 5.528 0.540 4.657 681 HG22 VAL 105 1HG2 VAL 105 7.022 1.166 3.963 682 HG23 VAL 105 2HG2 VAL 105 6.904 -0.533 4.416 683 H ASN 106 H ASN 106 3.117 -0.168 0.939 684 HA ASN 106 HA ASN 106 1.167 0.208 3.087 685 HB2 ASN 106 1HB ASN 106 1.234 1.718 0.705 686 HB3 ASN 106 2HB ASN 106 -0.099 0.585 0.520 687 HD21 ASN 106 2HD2 ASN 106 -1.561 2.306 0.618 688 HD22 ASN 106 1HD2 ASN 106 -1.953 3.074 2.114 689 H VAL 107 H VAL 107 -0.731 -1.281 2.821 690 HA VAL 107 HA VAL 107 -0.048 -3.598 1.148 691 HB VAL 107 HB VAL 107 -0.649 -5.111 3.070 692 HG11 VAL 107 1HG1 VAL 107 1.666 -4.807 2.358 693 HG12 VAL 107 2HG1 VAL 107 1.569 -4.985 4.110 694 HG13 VAL 107 3HG1 VAL 107 1.809 -3.391 3.398 695 HG21 VAL 107 3HG2 VAL 107 -1.761 -3.483 4.480 696 HG22 VAL 107 1HG2 VAL 107 -0.250 -2.594 4.673 697 HG23 VAL 107 2HG2 VAL 107 -0.406 -4.222 5.334 698 H GLY 108 H GLY 108 -1.672 -4.829 0.432 699 HA2 GLY 108 1HA GLY 108 -3.798 -5.498 -0.083 700 HA3 GLY 108 2HA GLY 108 -4.245 -4.997 1.543 701 H CYS 109 H CYS 109 -3.129 -3.271 -1.353 702 HA CYS 109 HA CYS 109 -5.174 -1.250 -0.818 703 HB2 CYS 109 2HB CYS 109 -2.782 -1.232 -2.667 704 HB3 CYS 109 1HB CYS 109 -3.898 0.105 -2.478 705 H THR 110 H THR 110 -6.942 -1.035 -2.036 706 HA THR 110 HA THR 110 -6.916 -2.144 -4.767 707 HB THR 110 HB THR 110 -9.525 -2.197 -4.302 708 HG1 THR 110 1HG THR 110 -8.526 -2.836 -1.720 709 HG21 THR 110 3HG2 THR 110 -8.204 -4.134 -4.954 710 HG22 THR 110 1HG2 THR 110 -9.317 -4.562 -3.656 711 HG23 THR 110 2HG2 THR 110 -7.609 -4.306 -3.304 712 HA PRO 111 HA PRO 111 -7.619 2.089 -6.065 713 HB2 PRO 111 2HB PRO 111 -9.017 0.695 -8.295 714 HB3 PRO 111 1HB PRO 111 -7.774 1.948 -8.356 715 HG2 PRO 111 2HG PRO 111 -7.153 -0.581 -8.894 716 HG3 PRO 111 1HG PRO 111 -6.050 0.443 -7.958 717 HD2 PRO 111 2HD PRO 111 -7.885 -1.718 -7.021 718 HD3 PRO 111 1HD PRO 111 -6.260 -1.290 -6.452 719 H ILE 112 H ILE 112 -9.104 3.130 -4.906 720 HA ILE 112 HA ILE 112 -11.754 1.990 -4.610 721 HB ILE 112 HB ILE 112 -10.762 2.717 -2.563 722 HG12 ILE 112 1HG1 ILE 112 -12.903 4.655 -3.461 723 HG13 ILE 112 2HG1 ILE 112 -13.156 3.083 -2.715 724 HG21 ILE 112 1HG2 ILE 112 -10.436 5.430 -3.824 725 HG22 ILE 112 2HG2 ILE 112 -9.144 4.300 -3.420 726 HG23 ILE 112 3HG2 ILE 112 -10.107 5.036 -2.137 727 HD11 ILE 112 3HD1 ILE 112 -11.895 5.480 -1.411 728 HD12 ILE 112 1HD1 ILE 112 -12.124 3.903 -0.657 729 HD13 ILE 112 2HD1 ILE 112 -13.524 4.868 -1.125 730 H ASN 113 H ASN 113 -13.315 2.493 -5.911 731 HA ASN 113 HA ASN 113 -13.410 5.177 -7.103 732 HB2 ASN 113 1HB ASN 113 -14.589 2.537 -7.960 733 HB3 ASN 113 2HB ASN 113 -15.170 4.063 -8.611 734 HD21 ASN 113 2HD2 ASN 113 -13.856 5.260 -9.960 735 HD22 ASN 113 1HD2 ASN 113 -12.444 4.590 -10.703 736 H ILE 114 H ILE 114 -14.717 6.535 -6.065 737 HA ILE 114 HA ILE 114 -16.607 5.715 -4.155 738 HB ILE 114 HB ILE 114 -17.499 8.185 -4.601 739 HG12 ILE 114 1HG1 ILE 114 -15.606 9.658 -5.197 740 HG13 ILE 114 2HG1 ILE 114 -14.640 8.248 -5.609 741 HG21 ILE 114 1HG2 ILE 114 -16.576 7.343 -2.526 742 HG22 ILE 114 2HG2 ILE 114 -15.913 8.934 -2.900 743 HG23 ILE 114 3HG2 ILE 114 -14.942 7.487 -3.175 744 HD11 ILE 114 3HD1 ILE 114 -17.085 9.279 -7.012 745 HD12 ILE 114 1HD1 ILE 114 -16.342 7.717 -7.354 746 HD13 ILE 114 2HD1 ILE 114 -15.434 9.203 -7.621 747 H GLY 115 H GLY 115 -16.852 6.067 -7.565 748 HA2 GLY 115 1HA GLY 115 -18.509 5.373 -8.989 749 HA3 GLY 115 2HA GLY 115 -19.298 4.649 -7.601 750 H LEU 116 H LEU 116 -18.697 8.017 -7.346 751 HA LEU 116 HA LEU 116 -21.525 8.499 -7.950 752 HB2 LEU 116 1HB LEU 116 -21.318 10.424 -6.336 753 HB3 LEU 116 2HB LEU 116 -21.242 8.818 -5.646 754 HG LEU 116 HG LEU 116 -18.628 9.247 -5.891 755 HD11 LEU 116 1HD1 LEU 116 -18.803 11.430 -6.898 756 HD12 LEU 116 2HD1 LEU 116 -18.109 11.568 -5.283 757 HD13 LEU 116 3HD1 LEU 116 -19.796 12.000 -5.556 758 HD21 LEU 116 3HD2 LEU 116 -19.829 8.666 -3.844 759 HD22 LEU 116 1HD2 LEU 116 -20.322 10.349 -3.659 760 HD23 LEU 116 2HD2 LEU 116 -18.615 9.914 -3.558 Start of MODEL 16 1 H1 LYS 10 1H LYS 10 -27.816 -10.011 11.640 2 H2 LYS 10 2H LYS 10 -29.124 -10.374 12.647 3 H3 LYS 10 3H LYS 10 -29.116 -10.914 11.046 4 HA LYS 10 HA LYS 10 -27.231 -12.339 11.499 5 HB2 LYS 10 1HB LYS 10 -27.627 -11.566 14.396 6 HB3 LYS 10 2HB LYS 10 -26.369 -12.594 13.728 7 HG2 LYS 10 1HG LYS 10 -25.407 -10.674 12.567 8 HG3 LYS 10 2HG LYS 10 -26.671 -9.641 13.225 9 HD2 LYS 10 1HD LYS 10 -24.819 -9.288 14.623 10 HD3 LYS 10 2HD LYS 10 -25.857 -10.396 15.522 11 HE2 LYS 10 1HE LYS 10 -23.579 -11.142 15.697 12 HE3 LYS 10 2HE LYS 10 -24.479 -12.281 14.697 13 HZ1 LYS 10 3HZ LYS 10 -23.540 -11.243 12.728 14 HZ2 LYS 10 1HZ LYS 10 -22.309 -11.779 13.757 15 HZ3 LYS 10 2HZ LYS 10 -22.691 -10.135 13.684 16 H ALA 11 H ALA 11 -27.867 -14.428 11.629 17 HA ALA 11 HA ALA 11 -30.632 -14.936 11.814 18 HB1 ALA 11 3HB ALA 11 -29.138 -16.174 10.332 19 HB2 ALA 11 1HB ALA 11 -30.052 -17.255 11.380 20 HB3 ALA 11 2HB ALA 11 -28.359 -16.912 11.730 21 H MET 12 H MET 12 -28.176 -14.976 14.214 22 HA MET 12 HA MET 12 -29.446 -16.812 16.000 23 HB2 MET 12 1HB MET 12 -27.303 -14.729 16.403 24 HB3 MET 12 2HB MET 12 -27.890 -15.758 17.702 25 HG2 MET 12 1HG MET 12 -27.149 -17.729 16.537 26 HG3 MET 12 2HG MET 12 -26.671 -16.764 15.144 27 HE1 MET 12 3HE MET 12 -23.250 -17.975 16.654 28 HE2 MET 12 1HE MET 12 -24.257 -17.919 15.208 29 HE3 MET 12 2HE MET 12 -24.769 -18.869 16.602 30 H ALA 13 H ALA 13 -30.136 -13.650 15.072 31 HA ALA 13 HA ALA 13 -32.093 -13.434 17.241 32 HB1 ALA 13 3HB ALA 13 -30.334 -11.148 16.345 33 HB2 ALA 13 1HB ALA 13 -30.209 -11.999 17.885 34 HB3 ALA 13 2HB ALA 13 -31.649 -11.050 17.516 35 H ASP 14 H ASP 14 -33.811 -13.850 15.990 36 HA ASP 14 HA ASP 14 -35.480 -13.575 14.486 37 HB2 ASP 14 1HB ASP 14 -35.411 -11.172 14.986 38 HB3 ASP 14 2HB ASP 14 -34.123 -10.954 13.807 39 H ILE 15 H ILE 15 -35.443 -14.998 12.920 40 HA ILE 15 HA ILE 15 -33.222 -15.459 11.234 41 HB ILE 15 HB ILE 15 -36.084 -16.367 10.866 42 HG12 ILE 15 1HG1 ILE 15 -35.128 -17.117 13.003 43 HG13 ILE 15 2HG1 ILE 15 -35.346 -18.468 11.899 44 HG21 ILE 15 1HG2 ILE 15 -33.536 -17.407 9.635 45 HG22 ILE 15 2HG2 ILE 15 -34.810 -16.520 8.798 46 HG23 ILE 15 3HG2 ILE 15 -35.133 -18.127 9.449 47 HD11 ILE 15 3HD1 ILE 15 -33.247 -18.648 13.088 48 HD12 ILE 15 1HD1 ILE 15 -32.750 -17.065 12.490 49 HD13 ILE 15 2HD1 ILE 15 -32.962 -18.405 11.364 50 H GLY 16 H GLY 16 -32.580 -13.876 9.913 51 HA2 GLY 16 1HA GLY 16 -34.452 -12.153 8.559 52 HA3 GLY 16 2HA GLY 16 -32.700 -12.124 8.407 53 H SER 17 H SER 17 -33.268 -15.216 7.956 54 HA SER 17 HA SER 17 -33.496 -16.647 6.216 55 HB2 SER 17 1HB SER 17 -35.762 -15.625 6.038 56 HB3 SER 17 2HB SER 17 -35.109 -14.433 4.918 57 HG SER 17 HG SER 17 -34.518 -16.223 3.555 58 H THR 18 H THR 18 -31.211 -15.013 6.398 59 HA THR 18 HA THR 18 -30.532 -13.976 3.814 60 HB THR 18 HB THR 18 -28.196 -13.876 4.831 61 HG1 THR 18 1HG THR 18 -27.930 -14.895 6.657 62 HG21 THR 18 3HG2 THR 18 -30.447 -12.506 6.310 63 HG22 THR 18 1HG2 THR 18 -29.712 -11.950 4.808 64 HG23 THR 18 2HG2 THR 18 -28.760 -11.992 6.291 65 H ALA 19 H ALA 19 -30.434 -17.026 5.348 66 HA ALA 19 HA ALA 19 -29.957 -19.113 4.600 67 HB1 ALA 19 3HB ALA 19 -29.430 -19.531 2.265 68 HB2 ALA 19 1HB ALA 19 -29.174 -17.807 1.998 69 HB3 ALA 19 2HB ALA 19 -30.781 -18.406 2.410 70 H VAL 20 H VAL 20 -27.495 -16.777 3.536 71 HA VAL 20 HA VAL 20 -25.456 -18.552 4.709 72 HB VAL 20 HB VAL 20 -23.842 -17.618 3.042 73 HG11 VAL 20 1HG1 VAL 20 -24.812 -19.817 2.705 74 HG12 VAL 20 2HG1 VAL 20 -24.613 -18.994 1.159 75 HG13 VAL 20 3HG1 VAL 20 -26.208 -19.099 1.902 76 HG21 VAL 20 3HG2 VAL 20 -24.742 -16.562 1.008 77 HG22 VAL 20 1HG2 VAL 20 -25.023 -15.579 2.445 78 HG23 VAL 20 2HG2 VAL 20 -26.341 -16.522 1.750 79 HA PRO 21 HA PRO 21 -24.322 -14.915 7.009 80 HB2 PRO 21 2HB PRO 21 -22.015 -15.739 8.063 81 HB3 PRO 21 1HB PRO 21 -23.538 -16.523 8.499 82 HG2 PRO 21 2HG PRO 21 -21.420 -17.426 6.590 83 HG3 PRO 21 1HG PRO 21 -22.348 -18.376 7.762 84 HD2 PRO 21 2HD PRO 21 -22.916 -18.199 5.057 85 HD3 PRO 21 1HD PRO 21 -24.078 -18.675 6.310 86 H ARG 22 H ARG 22 -23.742 -14.815 4.183 87 HA ARG 22 HA ARG 22 -21.293 -13.207 4.238 88 HB2 ARG 22 1HB ARG 22 -22.014 -15.243 2.120 89 HB3 ARG 22 2HB ARG 22 -20.705 -14.080 1.982 90 HG2 ARG 22 1HG ARG 22 -19.579 -15.085 3.883 91 HG3 ARG 22 2HG ARG 22 -20.909 -16.228 4.082 92 HD2 ARG 22 1HD ARG 22 -19.105 -16.003 1.675 93 HD3 ARG 22 2HD ARG 22 -19.017 -17.249 2.918 94 HE ARG 22 HE ARG 22 -21.217 -16.916 0.984 95 HH11 ARG 22 1HH1 ARG 22 -19.425 -18.887 3.257 96 HH12 ARG 22 2HH1 ARG 22 -20.224 -20.359 2.805 97 HH21 ARG 22 1HH2 ARG 22 -22.269 -18.845 0.385 98 HH22 ARG 22 2HH2 ARG 22 -21.838 -20.339 1.160 99 H ASP 23 H ASP 23 -22.008 -11.221 3.875 100 HA ASP 23 HA ASP 23 -24.242 -10.811 2.037 101 HB2 ASP 23 1HB ASP 23 -22.870 -8.900 3.941 102 HB3 ASP 23 2HB ASP 23 -24.226 -8.475 2.903 103 H VAL 24 H VAL 24 -23.139 -11.226 0.111 104 HA VAL 24 HA VAL 24 -20.925 -9.464 -0.598 105 HB VAL 24 HB VAL 24 -20.811 -10.774 -2.701 106 HG11 VAL 24 1HG1 VAL 24 -20.788 -12.385 -0.151 107 HG12 VAL 24 2HG1 VAL 24 -19.447 -11.471 -0.844 108 HG13 VAL 24 3HG1 VAL 24 -20.062 -12.900 -1.674 109 HG21 VAL 24 3HG2 VAL 24 -23.164 -11.395 -2.899 110 HG22 VAL 24 1HG2 VAL 24 -23.022 -12.421 -1.472 111 HG23 VAL 24 2HG2 VAL 24 -22.130 -12.823 -2.938 112 H ASN 25 H ASN 25 -21.104 -7.758 -1.934 113 HA ASN 25 HA ASN 25 -23.415 -7.431 -3.647 114 HB2 ASN 25 1HB ASN 25 -24.253 -6.589 -1.492 115 HB3 ASN 25 2HB ASN 25 -22.883 -5.489 -1.386 116 HD21 ASN 25 2HD2 ASN 25 -24.209 -3.696 -1.296 117 HD22 ASN 25 1HD2 ASN 25 -25.066 -3.105 -2.680 118 H GLY 26 H GLY 26 -22.471 -6.888 -5.488 119 HA2 GLY 26 1HA GLY 26 -19.918 -5.865 -5.844 120 HA3 GLY 26 2HA GLY 26 -21.210 -5.748 -7.027 121 H GLY 27 H GLY 27 -19.007 -3.900 -5.934 122 HA2 GLY 27 1HA GLY 27 -18.902 -1.565 -5.978 123 HA3 GLY 27 2HA GLY 27 -20.657 -1.506 -5.902 124 H THR 28 H THR 28 -21.516 -2.500 -3.764 125 HA THR 28 HA THR 28 -21.732 -2.432 -1.504 126 HB THR 28 HB THR 28 -18.774 -1.927 -1.296 127 HG1 THR 28 1HG THR 28 -20.036 -4.042 -2.390 128 HG21 THR 28 3HG2 THR 28 -19.074 -3.303 0.784 129 HG22 THR 28 1HG2 THR 28 -20.813 -3.185 0.527 130 HG23 THR 28 2HG2 THR 28 -19.862 -1.728 0.813 131 HA PRO 29 HA PRO 29 -22.541 1.918 -1.161 132 HB2 PRO 29 2HB PRO 29 -23.399 1.163 1.559 133 HB3 PRO 29 1HB PRO 29 -24.299 1.963 0.273 134 HG2 PRO 29 2HG PRO 29 -24.711 -0.620 0.966 135 HG3 PRO 29 1HG PRO 29 -24.962 -0.008 -0.676 136 HD2 PRO 29 2HD PRO 29 -22.763 -1.696 0.395 137 HD3 PRO 29 1HD PRO 29 -23.439 -1.607 -1.242 138 HA PRO 30 HA PRO 30 -19.773 2.840 2.663 139 HB2 PRO 30 2HB PRO 30 -18.609 0.843 4.011 140 HB3 PRO 30 1HB PRO 30 -20.212 1.447 4.428 141 HG2 PRO 30 2HG PRO 30 -19.448 -0.966 2.839 142 HG3 PRO 30 1HG PRO 30 -20.682 -0.809 4.102 143 HD2 PRO 30 2HD PRO 30 -21.297 -0.768 1.466 144 HD3 PRO 30 1HD PRO 30 -22.205 0.155 2.674 145 H LYS 31 H LYS 31 -18.573 3.443 0.791 146 HA LYS 31 HA LYS 31 -16.486 1.634 -0.117 147 HB2 LYS 31 1HB LYS 31 -17.124 4.426 -1.046 148 HB3 LYS 31 2HB LYS 31 -16.067 3.276 -1.851 149 HG2 LYS 31 1HG LYS 31 -17.986 1.795 -2.217 150 HG3 LYS 31 2HG LYS 31 -19.035 2.986 -1.448 151 HD2 LYS 31 1HD LYS 31 -18.387 4.620 -3.183 152 HD3 LYS 31 2HD LYS 31 -17.430 3.364 -3.972 153 HE2 LYS 31 1HE LYS 31 -20.408 3.311 -3.498 154 HE3 LYS 31 2HE LYS 31 -19.605 3.595 -5.040 155 HZ1 LYS 31 3HZ LYS 31 -18.674 1.365 -4.922 156 HZ2 LYS 31 1HZ LYS 31 -20.366 1.321 -4.854 157 HZ3 LYS 31 2HZ LYS 31 -19.461 1.091 -3.442 158 H SER 32 H SER 32 -15.267 1.593 1.820 159 HA SER 32 HA SER 32 -13.157 3.481 1.864 160 HB2 SER 32 1HB SER 32 -13.575 4.234 4.260 161 HB3 SER 32 2HB SER 32 -14.629 4.937 3.033 162 HG SER 32 HG SER 32 -16.265 3.579 3.663 163 H CYS 33 H CYS 33 -11.842 3.079 4.050 164 HA CYS 33 HA CYS 33 -11.335 0.229 4.025 165 HB2 CYS 33 2HB CYS 33 -9.890 2.554 5.307 166 HB3 CYS 33 1HB CYS 33 -9.342 0.885 5.402 167 H SER 34 H SER 34 -11.236 -1.089 5.867 168 HA SER 34 HA SER 34 -13.343 -0.688 7.720 169 HB2 SER 34 1HB SER 34 -12.585 -2.923 6.936 170 HB3 SER 34 2HB SER 34 -11.086 -2.706 7.836 171 HG SER 34 HG SER 34 -13.713 -3.059 8.803 172 H SER 35 H SER 35 -9.945 0.015 7.763 173 HA SER 35 HA SER 35 -9.852 0.496 10.602 174 HB2 SER 35 1HB SER 35 -7.885 1.295 8.447 175 HB3 SER 35 2HB SER 35 -7.584 1.287 10.186 176 HG SER 35 HG SER 35 -8.526 -1.108 9.395 177 H GLY 36 H GLY 36 -11.198 2.130 8.051 178 HA2 GLY 36 1HA GLY 36 -12.455 4.127 8.601 179 HA3 GLY 36 2HA GLY 36 -11.080 4.661 9.553 180 HA PRO 37 HA PRO 37 -9.762 7.335 6.338 181 HB2 PRO 37 2HB PRO 37 -7.038 6.290 6.847 182 HB3 PRO 37 1HB PRO 37 -7.621 7.954 6.836 183 HG2 PRO 37 2HG PRO 37 -7.083 6.654 9.126 184 HG3 PRO 37 1HG PRO 37 -8.385 7.848 8.998 185 HD2 PRO 37 2HD PRO 37 -8.544 4.899 9.190 186 HD3 PRO 37 1HD PRO 37 -9.709 6.137 9.694 187 H VAL 38 H VAL 38 -9.145 7.382 4.271 188 HA VAL 38 HA VAL 38 -8.677 4.846 2.881 189 HB VAL 38 HB VAL 38 -9.326 7.620 1.819 190 HG11 VAL 38 1HG1 VAL 38 -8.090 6.379 0.153 191 HG12 VAL 38 2HG1 VAL 38 -9.784 6.506 -0.322 192 HG13 VAL 38 3HG1 VAL 38 -9.167 4.997 0.349 193 HG21 VAL 38 3HG2 VAL 38 -11.037 5.167 2.118 194 HG22 VAL 38 1HG2 VAL 38 -11.527 6.655 1.309 195 HG23 VAL 38 2HG2 VAL 38 -11.176 6.665 3.038 196 H TYR 39 H TYR 39 -7.002 5.231 0.905 197 HA TYR 39 HA TYR 39 -4.785 6.844 1.956 198 HB2 TYR 39 2HB TYR 39 -4.480 4.080 0.787 199 HB3 TYR 39 1HB TYR 39 -3.188 5.108 1.391 200 HD1 TYR 39 1HD TYR 39 -2.852 5.415 3.769 201 HD2 TYR 39 2HD TYR 39 -5.968 2.913 2.327 202 HE1 TYR 39 1HE TYR 39 -3.107 4.456 6.018 203 HE2 TYR 39 2HE TYR 39 -6.233 1.940 4.569 204 HH TYR 39 HH TYR 39 -4.770 3.306 7.344 205 H CYS 40 H CYS 40 -3.694 8.000 0.539 206 HA CYS 40 HA CYS 40 -4.383 7.678 -2.300 207 HB2 CYS 40 2HB CYS 40 -5.047 9.825 -1.172 208 HB3 CYS 40 1HB CYS 40 -3.340 10.160 -0.928 209 H CYS 41 H CYS 41 -2.826 6.653 -3.358 210 HA CYS 41 HA CYS 41 -0.036 7.005 -2.464 211 HB2 CYS 41 2HB CYS 41 -1.275 4.750 -4.066 212 HB3 CYS 41 1HB CYS 41 0.396 4.836 -3.518 213 H ASN 42 H ASN 42 1.388 7.857 -3.781 214 HA ASN 42 HA ASN 42 0.779 9.160 -6.156 215 HB2 ASN 42 1HB ASN 42 3.407 8.079 -5.139 216 HB3 ASN 42 2HB ASN 42 3.264 9.131 -6.547 217 HD21 ASN 42 2HD2 ASN 42 3.192 8.924 -3.101 218 HD22 ASN 42 1HD2 ASN 42 3.106 10.622 -2.795 219 H LYS 43 H LYS 43 1.667 5.888 -5.523 220 HA LYS 43 HA LYS 43 0.696 4.998 -8.056 221 HB2 LYS 43 1HB LYS 43 3.196 5.725 -8.281 222 HB3 LYS 43 2HB LYS 43 3.526 4.255 -7.388 223 HG2 LYS 43 1HG LYS 43 3.776 3.845 -9.736 224 HG3 LYS 43 2HG LYS 43 2.378 2.959 -9.124 225 HD2 LYS 43 1HD LYS 43 0.864 4.374 -10.169 226 HD3 LYS 43 2HD LYS 43 2.040 5.682 -10.316 227 HE2 LYS 43 1HE LYS 43 1.579 4.623 -12.476 228 HE3 LYS 43 2HE LYS 43 3.261 4.437 -11.983 229 HZ1 LYS 43 3HZ LYS 43 2.324 2.392 -12.899 230 HZ2 LYS 43 1HZ LYS 43 1.156 2.364 -11.676 231 HZ3 LYS 43 2HZ LYS 43 2.796 2.188 -11.290 232 H THR 44 H THR 44 -0.303 3.014 -7.605 233 HA THR 44 HA THR 44 0.672 1.593 -5.262 234 HB THR 44 HB THR 44 -1.145 -0.054 -5.807 235 HG1 THR 44 1HG THR 44 -2.585 1.718 -7.284 236 HG21 THR 44 3HG2 THR 44 -1.312 1.699 -4.116 237 HG22 THR 44 1HG2 THR 44 -2.865 1.374 -4.878 238 HG23 THR 44 2HG2 THR 44 -1.952 2.813 -5.329 239 H GLU 45 H GLU 45 1.518 -0.413 -5.267 240 HA GLU 45 HA GLU 45 2.724 -1.183 -7.847 241 HB2 GLU 45 1HB GLU 45 4.227 -0.260 -5.976 242 HB3 GLU 45 2HB GLU 45 3.913 -1.774 -5.133 243 HG2 GLU 45 1HG GLU 45 6.003 -1.888 -6.331 244 HG3 GLU 45 2HG GLU 45 4.839 -3.013 -7.024 245 H ASP 46 H ASP 46 2.669 -3.306 -8.439 246 HA ASP 46 HA ASP 46 0.518 -4.825 -7.299 247 HB2 ASP 46 1HB ASP 46 2.437 -5.425 -9.547 248 HB3 ASP 46 2HB ASP 46 1.148 -6.516 -9.061 249 H SER 47 H SER 47 0.776 -5.874 -5.475 250 HA SER 47 HA SER 47 3.178 -6.502 -4.253 251 HB2 SER 47 1HB SER 47 1.901 -7.817 -2.681 252 HB3 SER 47 2HB SER 47 0.975 -6.381 -3.114 253 HG SER 47 HG SER 47 -0.424 -7.588 -4.232 254 H LYS 48 H LYS 48 1.544 -8.265 -6.731 255 HA LYS 48 HA LYS 48 2.682 -10.803 -6.103 256 HB2 LYS 48 1HB LYS 48 1.502 -9.881 -8.723 257 HB3 LYS 48 2HB LYS 48 1.796 -11.545 -8.238 258 HG2 LYS 48 1HG LYS 48 -0.116 -9.630 -6.939 259 HG3 LYS 48 2HG LYS 48 -0.545 -10.953 -8.019 260 HD2 LYS 48 1HD LYS 48 0.305 -12.563 -6.404 261 HD3 LYS 48 2HD LYS 48 0.830 -11.253 -5.345 262 HE2 LYS 48 1HE LYS 48 -1.567 -10.504 -5.253 263 HE3 LYS 48 2HE LYS 48 -1.992 -11.993 -6.094 264 HZ1 LYS 48 3HZ LYS 48 -0.630 -11.832 -3.455 265 HZ2 LYS 48 1HZ LYS 48 -1.066 -13.257 -4.257 266 HZ3 LYS 48 2HZ LYS 48 -2.261 -12.199 -3.700 267 H HIS 49 H HIS 49 3.649 -8.092 -8.125 268 HA HIS 49 HA HIS 49 6.224 -9.407 -8.480 269 HB2 HIS 49 1HB HIS 49 6.372 -8.501 -10.762 270 HB3 HIS 49 2HB HIS 49 5.134 -9.711 -10.557 271 HD1 HIS 49 HD1 HIS 49 5.612 -6.081 -11.308 272 HD2 HIS 49 HD2 HIS 49 2.528 -8.855 -11.053 273 HE1 HIS 49 HE1 HIS 49 3.627 -4.980 -12.381 274 HE2 HIS 49 HE2 HIS 49 1.853 -6.770 -12.424 275 H LEU 50 H LEU 50 6.092 -7.863 -6.510 276 HA LEU 50 HA LEU 50 6.469 -5.101 -6.879 277 HB2 LEU 50 1HB LEU 50 7.488 -6.920 -4.706 278 HB3 LEU 50 2HB LEU 50 7.538 -5.173 -4.644 279 HG LEU 50 HG LEU 50 5.041 -6.855 -4.743 280 HD11 LEU 50 1HD1 LEU 50 4.697 -6.065 -2.476 281 HD12 LEU 50 2HD1 LEU 50 6.235 -5.206 -2.535 282 HD13 LEU 50 3HD1 LEU 50 6.205 -6.968 -2.611 283 HD21 LEU 50 3HD2 LEU 50 3.943 -4.651 -4.297 284 HD22 LEU 50 1HD2 LEU 50 4.639 -4.833 -5.906 285 HD23 LEU 50 2HD2 LEU 50 5.482 -3.881 -4.682 286 H ASP 51 H ASP 51 8.372 -3.885 -6.674 287 HA ASP 51 HA ASP 51 10.644 -4.914 -8.084 288 HB2 ASP 51 1HB ASP 51 9.808 -2.486 -8.081 289 HB3 ASP 51 2HB ASP 51 10.533 -2.353 -6.489 290 H LYS 52 H LYS 52 12.781 -5.138 -7.169 291 HA LYS 52 HA LYS 52 12.830 -6.260 -4.572 292 HB2 LYS 52 1HB LYS 52 15.134 -5.254 -6.246 293 HB3 LYS 52 2HB LYS 52 15.278 -6.240 -4.796 294 HG2 LYS 52 1HG LYS 52 13.972 -7.047 -7.389 295 HG3 LYS 52 2HG LYS 52 15.526 -7.610 -6.774 296 HD2 LYS 52 1HD LYS 52 14.417 -8.662 -4.882 297 HD3 LYS 52 2HD LYS 52 12.858 -8.044 -5.426 298 HE2 LYS 52 1HE LYS 52 13.121 -10.381 -6.043 299 HE3 LYS 52 2HE LYS 52 13.050 -9.359 -7.477 300 HZ1 LYS 52 3HZ LYS 52 15.431 -9.508 -7.690 301 HZ2 LYS 52 1HZ LYS 52 14.776 -11.064 -7.622 302 HZ3 LYS 52 2HZ LYS 52 15.548 -10.414 -6.267 303 H GLY 53 H GLY 53 13.268 -3.039 -5.802 304 HA2 GLY 53 1HA GLY 53 14.407 -1.859 -3.496 305 HA3 GLY 53 2HA GLY 53 13.448 -1.026 -4.715 306 H THR 54 H THR 54 11.058 -2.512 -4.440 307 HA THR 54 HA THR 54 9.969 -1.320 -2.068 308 HB THR 54 HB THR 54 8.631 -3.297 -3.927 309 HG1 THR 54 1HG THR 54 8.785 -0.452 -4.022 310 HG21 THR 54 3HG2 THR 54 7.432 -3.050 -1.833 311 HG22 THR 54 1HG2 THR 54 6.546 -2.201 -3.109 312 HG23 THR 54 2HG2 THR 54 7.527 -1.292 -1.951 313 H THR 55 H THR 55 10.575 -4.617 -3.172 314 HA THR 55 HA THR 55 9.723 -6.073 -0.982 315 HB THR 55 HB THR 55 12.179 -6.532 -2.692 316 HG1 THR 55 1HG THR 55 10.386 -6.511 -4.006 317 HG21 THR 55 3HG2 THR 55 11.958 -8.884 -2.061 318 HG22 THR 55 1HG2 THR 55 10.620 -8.473 -0.987 319 HG23 THR 55 2HG2 THR 55 12.240 -7.860 -0.651 320 H ALA 56 H ALA 56 12.631 -4.211 -1.482 321 HA ALA 56 HA ALA 56 14.113 -4.909 0.754 322 HB1 ALA 56 3HB ALA 56 15.161 -2.680 0.501 323 HB2 ALA 56 1HB ALA 56 13.901 -2.259 -0.663 324 HB3 ALA 56 2HB ALA 56 15.031 -3.565 -1.020 325 H LEU 57 H LEU 57 11.776 -2.206 0.450 326 HA LEU 57 HA LEU 57 12.059 -1.251 3.076 327 HB2 LEU 57 1HB LEU 57 9.576 -1.147 1.377 328 HB3 LEU 57 2HB LEU 57 9.874 -0.186 2.806 329 HG LEU 57 HG LEU 57 10.570 1.407 1.433 330 HD11 LEU 57 1HD1 LEU 57 12.849 -0.376 0.641 331 HD12 LEU 57 2HD1 LEU 57 12.763 0.460 2.192 332 HD13 LEU 57 3HD1 LEU 57 12.822 1.388 0.691 333 HD21 LEU 57 3HD2 LEU 57 10.999 -0.554 -0.787 334 HD22 LEU 57 1HD2 LEU 57 10.688 1.174 -0.917 335 HD23 LEU 57 2HD2 LEU 57 9.408 0.083 -0.370 336 H LEU 58 H LEU 58 9.814 -3.540 1.662 337 HA LEU 58 HA LEU 58 8.291 -4.096 3.944 338 HB2 LEU 58 1HB LEU 58 9.025 -6.059 1.788 339 HB3 LEU 58 2HB LEU 58 7.587 -6.070 2.789 340 HG LEU 58 HG LEU 58 8.222 -3.956 0.722 341 HD11 LEU 58 1HD1 LEU 58 6.408 -4.994 -0.553 342 HD12 LEU 58 2HD1 LEU 58 6.301 -6.274 0.655 343 HD13 LEU 58 3HD1 LEU 58 7.763 -6.096 -0.315 344 HD21 LEU 58 3HD2 LEU 58 5.725 -4.461 2.341 345 HD22 LEU 58 1HD2 LEU 58 5.918 -3.246 1.076 346 HD23 LEU 58 2HD2 LEU 58 6.853 -3.124 2.567 347 H GLY 59 H GLY 59 11.232 -5.599 2.689 348 HA2 GLY 59 1HA GLY 59 11.577 -7.513 4.695 349 HA3 GLY 59 2HA GLY 59 12.869 -6.807 3.740 350 H LEU 60 H LEU 60 12.386 -4.083 4.651 351 HA LEU 60 HA LEU 60 14.024 -4.021 6.954 352 HB2 LEU 60 1HB LEU 60 12.166 -1.838 5.989 353 HB3 LEU 60 2HB LEU 60 13.574 -1.638 7.020 354 HG LEU 60 HG LEU 60 13.498 -2.261 4.080 355 HD11 LEU 60 1HD1 LEU 60 14.901 -0.291 3.926 356 HD12 LEU 60 2HD1 LEU 60 14.863 -0.109 5.680 357 HD13 LEU 60 3HD1 LEU 60 13.382 0.079 4.740 358 HD21 LEU 60 3HD2 LEU 60 15.906 -2.581 4.160 359 HD22 LEU 60 1HD2 LEU 60 15.072 -3.793 5.136 360 HD23 LEU 60 2HD2 LEU 60 15.878 -2.434 5.918 361 H LEU 61 H LEU 61 10.636 -4.116 6.468 362 HA LEU 61 HA LEU 61 10.087 -3.633 9.311 363 HB2 LEU 61 1HB LEU 61 8.169 -3.801 6.993 364 HB3 LEU 61 2HB LEU 61 7.793 -3.272 8.624 365 HG LEU 61 HG LEU 61 9.904 -1.798 7.123 366 HD11 LEU 61 1HD1 LEU 61 8.157 -1.993 5.482 367 HD12 LEU 61 2HD1 LEU 61 8.196 -0.353 6.128 368 HD13 LEU 61 3HD1 LEU 61 6.950 -1.481 6.662 369 HD21 LEU 61 3HD2 LEU 61 8.955 0.094 8.359 370 HD22 LEU 61 1HD2 LEU 61 9.460 -1.212 9.434 371 HD23 LEU 61 2HD2 LEU 61 7.749 -0.985 9.066 372 H ASN 62 H ASN 62 10.683 -6.108 7.282 373 HA ASN 62 HA ASN 62 10.648 -8.354 7.530 374 HB2 ASN 62 1HB ASN 62 9.494 -7.663 10.226 375 HB3 ASN 62 2HB ASN 62 9.813 -9.315 9.720 376 HD21 ASN 62 2HD2 ASN 62 11.334 -9.657 11.321 377 HD22 ASN 62 1HD2 ASN 62 12.898 -8.919 11.291 378 H ILE 63 H ILE 63 8.506 -6.885 6.281 379 HA ILE 63 HA ILE 63 6.058 -8.311 6.815 380 HB ILE 63 HB ILE 63 6.831 -6.500 4.517 381 HG12 ILE 63 1HG1 ILE 63 5.063 -5.821 6.858 382 HG13 ILE 63 2HG1 ILE 63 6.809 -5.591 6.920 383 HG21 ILE 63 1HG2 ILE 63 4.434 -6.295 4.096 384 HG22 ILE 63 2HG2 ILE 63 4.104 -7.462 5.375 385 HG23 ILE 63 3HG2 ILE 63 4.971 -7.967 3.924 386 HD11 ILE 63 3HD1 ILE 63 5.576 -3.551 6.320 387 HD12 ILE 63 1HD1 ILE 63 4.992 -4.366 4.865 388 HD13 ILE 63 2HD1 ILE 63 6.718 -4.065 5.080 389 H LYS 64 H LYS 64 5.070 -9.801 5.444 390 HA LYS 64 HA LYS 64 6.956 -11.363 3.852 391 HB2 LYS 64 1HB LYS 64 5.089 -13.107 3.928 392 HB3 LYS 64 2HB LYS 64 5.937 -12.775 5.428 393 HG2 LYS 64 1HG LYS 64 3.374 -11.367 4.809 394 HG3 LYS 64 2HG LYS 64 3.362 -13.019 5.422 395 HD2 LYS 64 1HD LYS 64 4.708 -12.271 7.349 396 HD3 LYS 64 2HD LYS 64 4.601 -10.618 6.756 397 HE2 LYS 64 1HE LYS 64 2.164 -10.709 6.949 398 HE3 LYS 64 2HE LYS 64 2.272 -12.366 7.539 399 HZ1 LYS 64 3HZ LYS 64 3.357 -9.947 8.877 400 HZ2 LYS 64 1HZ LYS 64 3.572 -11.531 9.430 401 HZ3 LYS 64 2HZ LYS 64 2.024 -10.858 9.378 402 H ILE 65 H ILE 65 6.942 -11.210 1.768 403 HA ILE 65 HA ILE 65 5.100 -9.512 0.417 404 HB ILE 65 HB ILE 65 7.450 -11.144 -0.535 405 HG12 ILE 65 1HG1 ILE 65 8.390 -8.901 -1.049 406 HG13 ILE 65 2HG1 ILE 65 6.948 -8.170 -0.365 407 HG21 ILE 65 1HG2 ILE 65 5.742 -11.074 -2.317 408 HG22 ILE 65 2HG2 ILE 65 7.211 -10.191 -2.734 409 HG23 ILE 65 3HG2 ILE 65 5.769 -9.311 -2.227 410 HD11 ILE 65 3HD1 ILE 65 7.515 -9.075 1.818 411 HD12 ILE 65 1HD1 ILE 65 8.840 -8.100 1.177 412 HD13 ILE 65 2HD1 ILE 65 8.937 -9.862 1.134 413 H GLY 66 H GLY 66 5.649 -12.995 0.527 414 HA2 GLY 66 1HA GLY 66 3.975 -13.688 -1.645 415 HA3 GLY 66 2HA GLY 66 4.480 -14.764 -0.352 416 H ASP 67 H ASP 67 3.255 -12.766 1.592 417 HA ASP 67 HA ASP 67 0.614 -13.994 1.533 418 HB2 ASP 67 1HB ASP 67 1.929 -14.099 3.608 419 HB3 ASP 67 2HB ASP 67 1.972 -12.342 3.673 420 H LEU 68 H LEU 68 1.993 -11.218 0.405 421 HA LEU 68 HA LEU 68 0.053 -9.271 1.099 422 HB2 LEU 68 1HB LEU 68 1.998 -9.414 -1.201 423 HB3 LEU 68 2HB LEU 68 1.012 -8.010 -0.830 424 HG LEU 68 HG LEU 68 3.097 -9.205 0.999 425 HD11 LEU 68 1HD1 LEU 68 3.150 -6.678 -0.642 426 HD12 LEU 68 2HD1 LEU 68 4.079 -8.143 -0.962 427 HD13 LEU 68 3HD1 LEU 68 4.388 -7.205 0.499 428 HD21 LEU 68 3HD2 LEU 68 2.736 -7.165 2.324 429 HD22 LEU 68 1HD2 LEU 68 1.289 -8.174 2.235 430 HD23 LEU 68 2HD2 LEU 68 1.406 -6.722 1.245 431 H LYS 69 H LYS 69 -1.716 -8.560 0.050 432 HA LYS 69 HA LYS 69 -3.004 -10.626 -1.530 433 HB2 LYS 69 1HB LYS 69 -4.052 -8.230 -0.052 434 HB3 LYS 69 2HB LYS 69 -5.068 -9.168 -1.132 435 HG2 LYS 69 1HG LYS 69 -5.486 -9.937 1.062 436 HG3 LYS 69 2HG LYS 69 -4.530 -11.181 0.261 437 HD2 LYS 69 1HD LYS 69 -2.515 -10.342 1.378 438 HD3 LYS 69 2HD LYS 69 -3.480 -9.100 2.177 439 HE2 LYS 69 1HE LYS 69 -4.761 -10.797 3.335 440 HE3 LYS 69 2HE LYS 69 -3.898 -12.070 2.477 441 HZ1 LYS 69 3HZ LYS 69 -2.682 -10.140 4.373 442 HZ2 LYS 69 1HZ LYS 69 -1.854 -11.368 3.555 443 HZ3 LYS 69 2HZ LYS 69 -3.030 -11.760 4.704 444 H ASP 70 H ASP 70 -3.692 -7.159 -1.773 445 HA ASP 70 HA ASP 70 -3.833 -7.551 -4.658 446 HB2 ASP 70 1HB ASP 70 -5.147 -5.734 -2.736 447 HB3 ASP 70 2HB ASP 70 -4.828 -5.071 -4.335 448 H LEU 71 H LEU 71 -3.436 -4.312 -3.575 449 HA LEU 71 HA LEU 71 -0.809 -4.268 -4.895 450 HB2 LEU 71 1HB LEU 71 -2.792 -2.057 -4.390 451 HB3 LEU 71 2HB LEU 71 -1.162 -1.793 -4.968 452 HG LEU 71 HG LEU 71 -2.333 -1.672 -6.907 453 HD11 LEU 71 1HD1 LEU 71 -2.026 -3.719 -8.192 454 HD12 LEU 71 2HD1 LEU 71 -1.726 -4.603 -6.696 455 HD13 LEU 71 3HD1 LEU 71 -0.622 -3.321 -7.204 456 HD21 LEU 71 3HD2 LEU 71 -4.141 -3.898 -5.991 457 HD22 LEU 71 1HD2 LEU 71 -4.276 -3.008 -7.508 458 HD23 LEU 71 2HD2 LEU 71 -4.519 -2.175 -5.973 459 H VAL 72 H VAL 72 0.692 -2.647 -4.108 460 HA VAL 72 HA VAL 72 0.380 -1.991 -1.258 461 HB VAL 72 HB VAL 72 2.481 -2.573 -0.708 462 HG11 VAL 72 1HG1 VAL 72 3.481 -4.398 -2.034 463 HG12 VAL 72 2HG1 VAL 72 2.293 -4.079 -3.299 464 HG13 VAL 72 3HG1 VAL 72 1.761 -4.613 -1.704 465 HG21 VAL 72 3HG2 VAL 72 3.324 -1.419 -3.336 466 HG22 VAL 72 1HG2 VAL 72 4.454 -2.346 -2.345 467 HG23 VAL 72 2HG2 VAL 72 3.711 -0.880 -1.695 468 H GLY 73 H GLY 73 1.790 0.084 -0.824 469 HA2 GLY 73 1HA GLY 73 1.679 1.800 -3.198 470 HA3 GLY 73 2HA GLY 73 0.852 2.302 -1.737 471 H LEU 74 H LEU 74 3.252 3.358 -3.302 472 HA LEU 74 HA LEU 74 5.016 3.443 -0.971 473 HB2 LEU 74 1HB LEU 74 6.859 4.049 -2.322 474 HB3 LEU 74 2HB LEU 74 6.096 2.673 -3.067 475 HG LEU 74 HG LEU 74 6.826 4.051 -4.813 476 HD11 LEU 74 1HD1 LEU 74 4.633 3.174 -5.235 477 HD12 LEU 74 2HD1 LEU 74 4.800 4.775 -5.965 478 HD13 LEU 74 3HD1 LEU 74 3.893 4.580 -4.465 479 HD21 LEU 74 3HD2 LEU 74 5.493 6.416 -3.510 480 HD22 LEU 74 1HD2 LEU 74 6.392 6.419 -5.027 481 HD23 LEU 74 2HD2 LEU 74 7.224 6.083 -3.509 482 H ASN 75 H ASN 75 5.191 5.159 0.183 483 HA ASN 75 HA ASN 75 4.900 7.242 1.015 484 HB2 ASN 75 1HB ASN 75 6.131 7.500 -1.471 485 HB3 ASN 75 2HB ASN 75 4.870 8.734 -1.469 486 HD21 ASN 75 2HD2 ASN 75 7.784 7.589 -0.001 487 HD22 ASN 75 1HD2 ASN 75 8.126 9.006 0.924 488 H CYS 76 H CYS 76 2.616 6.062 1.048 489 HA CYS 76 HA CYS 76 0.601 7.496 -0.464 490 HB2 CYS 76 2HB CYS 76 0.281 5.335 1.626 491 HB3 CYS 76 1HB CYS 76 -0.967 5.923 0.532 492 H SER 77 H SER 77 -0.914 8.838 0.374 493 HA SER 77 HA SER 77 -0.385 9.905 3.055 494 HB2 SER 77 1HB SER 77 -2.092 11.053 0.829 495 HB3 SER 77 2HB SER 77 -1.638 11.867 2.327 496 HG SER 77 HG SER 77 0.632 11.240 1.413 497 HA PRO 78 HA PRO 78 -4.103 7.676 4.328 498 HB2 PRO 78 2HB PRO 78 -3.655 9.063 6.879 499 HB3 PRO 78 1HB PRO 78 -3.706 7.331 6.541 500 HG2 PRO 78 2HG PRO 78 -1.411 8.598 7.148 501 HG3 PRO 78 1HG PRO 78 -1.465 7.230 6.021 502 HD2 PRO 78 2HD PRO 78 -1.278 10.163 5.439 503 HD3 PRO 78 1HD PRO 78 -0.451 8.800 4.655 504 H LEU 79 H LEU 79 -6.070 8.374 3.895 505 HA LEU 79 HA LEU 79 -6.680 11.228 4.174 506 HB2 LEU 79 1HB LEU 79 -8.355 9.133 2.815 507 HB3 LEU 79 2HB LEU 79 -8.396 10.869 2.575 508 HG LEU 79 HG LEU 79 -6.111 9.069 1.766 509 HD11 LEU 79 1HD1 LEU 79 -6.846 9.445 -0.511 510 HD12 LEU 79 2HD1 LEU 79 -8.228 10.375 0.071 511 HD13 LEU 79 3HD1 LEU 79 -8.105 8.653 0.433 512 HD21 LEU 79 3HD2 LEU 79 -6.621 11.992 1.241 513 HD22 LEU 79 1HD2 LEU 79 -5.310 11.038 0.549 514 HD23 LEU 79 2HD2 LEU 79 -5.372 11.316 2.288 515 H SER 80 H SER 80 -7.067 11.273 6.394 516 HA SER 80 HA SER 80 -8.875 9.453 7.672 517 HB2 SER 80 1HB SER 80 -7.736 12.104 8.605 518 HB3 SER 80 2HB SER 80 -8.579 10.940 9.627 519 HG SER 80 HG SER 80 -5.988 10.962 8.804 520 H VAL 81 H VAL 81 -9.022 12.720 6.407 521 HA VAL 81 HA VAL 81 -11.810 12.968 7.209 522 HB VAL 81 HB VAL 81 -11.600 15.317 6.394 523 HG11 VAL 81 1HG1 VAL 81 -10.099 16.052 8.223 524 HG12 VAL 81 2HG1 VAL 81 -9.575 14.377 8.424 525 HG13 VAL 81 3HG1 VAL 81 -11.255 14.819 8.729 526 HG21 VAL 81 3HG2 VAL 81 -9.387 16.217 5.890 527 HG22 VAL 81 1HG2 VAL 81 -9.833 14.970 4.728 528 HG23 VAL 81 2HG2 VAL 81 -8.690 14.604 6.020 529 H ILE 82 H ILE 82 -13.338 12.309 5.886 530 HA ILE 82 HA ILE 82 -12.757 11.950 3.062 531 HB ILE 82 HB ILE 82 -15.211 11.180 4.614 532 HG12 ILE 82 1HG1 ILE 82 -13.211 10.062 5.474 533 HG13 ILE 82 2HG1 ILE 82 -14.249 8.931 4.629 534 HG21 ILE 82 1HG2 ILE 82 -15.568 11.409 2.197 535 HG22 ILE 82 2HG2 ILE 82 -15.704 9.732 2.725 536 HG23 ILE 82 3HG2 ILE 82 -14.245 10.280 1.903 537 HD11 ILE 82 3HD1 ILE 82 -11.929 8.514 4.111 538 HD12 ILE 82 1HD1 ILE 82 -11.737 10.172 3.545 539 HD13 ILE 82 2HD1 ILE 82 -12.789 9.057 2.671 540 H GLY 83 H GLY 83 -13.827 12.982 1.420 541 HA2 GLY 83 1HA GLY 83 -16.189 14.408 1.544 542 HA3 GLY 83 2HA GLY 83 -14.914 15.547 1.939 543 H VAL 84 H VAL 84 -16.688 14.221 -0.526 544 HA VAL 84 HA VAL 84 -16.542 14.116 -2.789 545 HB VAL 84 HB VAL 84 -14.413 16.254 -2.596 546 HG11 VAL 84 1HG1 VAL 84 -14.750 15.320 -4.824 547 HG12 VAL 84 2HG1 VAL 84 -15.329 16.985 -4.751 548 HG13 VAL 84 3HG1 VAL 84 -16.479 15.649 -4.712 549 HG21 VAL 84 3HG2 VAL 84 -16.227 17.906 -2.658 550 HG22 VAL 84 1HG2 VAL 84 -16.290 16.921 -1.196 551 HG23 VAL 84 2HG2 VAL 84 -17.408 16.605 -2.523 552 H GLY 85 H GLY 85 -15.264 12.123 -1.626 553 HA2 GLY 85 1HA GLY 85 -13.834 10.424 -2.358 554 HA3 GLY 85 2HA GLY 85 -13.054 11.575 -3.436 555 H GLY 86 H GLY 86 -11.978 13.450 -2.099 556 HA2 GLY 86 1HA GLY 86 -10.980 13.223 0.424 557 HA3 GLY 86 2HA GLY 86 -9.942 12.168 -0.525 558 H ASN 87 H ASN 87 -10.669 15.383 0.357 559 HA ASN 87 HA ASN 87 -9.407 16.785 -1.742 560 HB2 ASN 87 1HB ASN 87 -9.374 18.699 -0.262 561 HB3 ASN 87 2HB ASN 87 -10.901 17.851 -0.066 562 HD21 ASN 87 2HD2 ASN 87 -9.496 19.677 1.720 563 HD22 ASN 87 1HD2 ASN 87 -9.274 18.821 3.203 564 H SER 88 H SER 88 -8.183 15.106 1.021 565 HA SER 88 HA SER 88 -5.561 16.274 0.909 566 HB2 SER 88 1HB SER 88 -5.156 14.258 2.544 567 HB3 SER 88 2HB SER 88 -6.129 15.632 3.067 568 HG SER 88 HG SER 88 -7.253 13.773 3.556 569 H CYS 89 H CYS 89 -7.024 14.344 -1.202 570 HA CYS 89 HA CYS 89 -4.602 12.761 -1.731 571 HB2 CYS 89 2HB CYS 89 -6.516 11.316 -1.403 572 HB3 CYS 89 1HB CYS 89 -7.469 12.235 -2.557 573 H SER 90 H SER 90 -3.462 13.205 -3.488 574 HA SER 90 HA SER 90 -4.740 14.631 -5.711 575 HB2 SER 90 1HB SER 90 -3.411 16.205 -4.225 576 HB3 SER 90 2HB SER 90 -1.971 15.294 -4.675 577 HG SER 90 HG SER 90 -2.166 15.974 -6.747 578 H ALA 91 H ALA 91 -4.083 11.864 -5.187 579 HA ALA 91 HA ALA 91 -2.475 11.294 -7.531 580 HB1 ALA 91 3HB ALA 91 -1.029 9.719 -6.332 581 HB2 ALA 91 1HB ALA 91 -1.765 10.206 -4.806 582 HB3 ALA 91 2HB ALA 91 -0.818 11.365 -5.737 583 H GLN 92 H GLN 92 -2.254 8.463 -6.805 584 HA GLN 92 HA GLN 92 -4.871 7.709 -7.682 585 HB2 GLN 92 1HB GLN 92 -3.449 6.347 -8.769 586 HB3 GLN 92 2HB GLN 92 -2.178 6.571 -7.574 587 HG2 GLN 92 1HG GLN 92 -2.974 4.861 -6.241 588 HG3 GLN 92 2HG GLN 92 -4.525 4.793 -7.066 589 HE21 GLN 92 2HE2 GLN 92 -1.439 5.071 -8.687 590 HE22 GLN 92 1HE2 GLN 92 -1.483 3.507 -9.430 591 H THR 93 H THR 93 -6.480 6.897 -6.456 592 HA THR 93 HA THR 93 -5.976 6.869 -3.574 593 HB THR 93 HB THR 93 -8.759 6.897 -4.612 594 HG1 THR 93 1HG THR 93 -6.871 9.006 -4.969 595 HG21 THR 93 3HG2 THR 93 -7.307 8.543 -2.528 596 HG22 THR 93 1HG2 THR 93 -8.208 7.061 -2.201 597 HG23 THR 93 2HG2 THR 93 -9.050 8.493 -2.794 598 H VAL 94 H VAL 94 -6.027 5.045 -2.508 599 HA VAL 94 HA VAL 94 -7.610 2.780 -3.503 600 HB VAL 94 HB VAL 94 -5.653 1.312 -2.652 601 HG11 VAL 94 1HG1 VAL 94 -4.672 1.217 -4.845 602 HG12 VAL 94 2HG1 VAL 94 -5.308 2.814 -5.243 603 HG13 VAL 94 3HG1 VAL 94 -6.408 1.457 -4.997 604 HG21 VAL 94 3HG2 VAL 94 -4.171 3.862 -3.278 605 HG22 VAL 94 1HG2 VAL 94 -3.442 2.296 -2.916 606 HG23 VAL 94 2HG2 VAL 94 -4.364 3.146 -1.676 607 H CYS 95 H CYS 95 -7.604 0.979 -1.823 608 HA CYS 95 HA CYS 95 -7.650 2.096 0.900 609 HB2 CYS 95 2HB CYS 95 -9.935 1.753 0.063 610 HB3 CYS 95 1HB CYS 95 -9.552 0.076 -0.308 611 H CYS 96 H CYS 96 -6.226 1.091 2.198 612 HA CYS 96 HA CYS 96 -5.162 -1.512 1.358 613 HB2 CYS 96 2HB CYS 96 -3.972 0.865 2.609 614 HB3 CYS 96 1HB CYS 96 -3.449 -0.662 3.293 615 H THR 97 H THR 97 -4.358 -2.920 3.125 616 HA THR 97 HA THR 97 -6.418 -3.193 5.164 617 HB THR 97 HB THR 97 -5.669 -5.219 3.979 618 HG1 THR 97 1HG THR 97 -5.698 -4.902 6.680 619 HG21 THR 97 3HG2 THR 97 -3.321 -4.583 3.604 620 HG22 THR 97 1HG2 THR 97 -3.459 -6.170 4.360 621 HG23 THR 97 2HG2 THR 97 -3.005 -4.769 5.329 622 H ASN 98 H ASN 98 -3.121 -2.181 4.825 623 HA ASN 98 HA ASN 98 -3.095 -1.161 7.538 624 HB2 ASN 98 1HB ASN 98 -1.132 -3.258 6.605 625 HB3 ASN 98 2HB ASN 98 -0.748 -2.136 7.901 626 HD21 ASN 98 2HD2 ASN 98 -1.967 -2.248 9.842 627 HD22 ASN 98 1HD2 ASN 98 -2.772 -3.714 10.289 628 H THR 99 H THR 99 -1.234 0.267 7.898 629 HA THR 99 HA THR 99 0.038 1.158 5.408 630 HB THR 99 HB THR 99 -1.617 2.814 5.877 631 HG1 THR 99 1HG THR 99 0.396 3.650 5.241 632 HG21 THR 99 3HG2 THR 99 -2.067 2.343 8.215 633 HG22 THR 99 1HG2 THR 99 -1.699 4.055 8.005 634 HG23 THR 99 2HG2 THR 99 -0.482 2.967 8.666 635 H TYR 100 H TYR 100 2.165 1.348 5.493 636 HA TYR 100 HA TYR 100 3.453 1.017 8.115 637 HB2 TYR 100 2HB TYR 100 3.878 -0.343 5.491 638 HB3 TYR 100 1HB TYR 100 5.241 -0.161 6.581 639 HD1 TYR 100 2HD TYR 100 4.852 -1.010 9.027 640 HD2 TYR 100 1HD TYR 100 2.460 -2.147 5.700 641 HE1 TYR 100 2HE TYR 100 4.107 -3.007 10.253 642 HE2 TYR 100 1HE TYR 100 1.708 -4.143 6.918 643 HH TYR 100 HH TYR 100 2.483 -5.581 8.757 644 H GLN 101 H GLN 101 5.304 2.150 8.528 645 HA GLN 101 HA GLN 101 6.896 3.753 8.373 646 HB2 GLN 101 1HB GLN 101 6.704 2.757 5.568 647 HB3 GLN 101 2HB GLN 101 7.666 4.191 5.891 648 HG2 GLN 101 1HG GLN 101 8.072 1.693 7.478 649 HG3 GLN 101 2HG GLN 101 8.811 1.897 5.889 650 HE21 GLN 101 2HE2 GLN 101 10.377 3.426 5.587 651 HE22 GLN 101 1HE2 GLN 101 11.172 4.230 6.888 652 H HIS 102 H HIS 102 4.152 4.508 8.408 653 HA HIS 102 HA HIS 102 2.868 6.367 8.315 654 HB2 HIS 102 1HB HIS 102 5.531 7.565 7.646 655 HB3 HIS 102 2HB HIS 102 4.075 8.548 7.605 656 HD1 HIS 102 HD1 HIS 102 3.669 9.748 9.715 657 HD2 HIS 102 HD2 HIS 102 5.683 6.168 10.349 658 HE1 HIS 102 HE1 HIS 102 4.103 9.645 12.190 659 HE2 HIS 102 HE2 HIS 102 5.429 7.532 12.532 660 H GLY 103 H GLY 103 4.093 4.937 5.607 661 HA2 GLY 103 1HA GLY 103 2.059 5.095 3.962 662 HA3 GLY 103 2HA GLY 103 2.695 6.722 3.763 663 H LEU 104 H LEU 104 5.464 5.511 4.229 664 HA LEU 104 HA LEU 104 6.377 5.447 1.645 665 HB2 LEU 104 1HB LEU 104 7.570 3.805 3.872 666 HB3 LEU 104 2HB LEU 104 8.393 4.394 2.447 667 HG LEU 104 HG LEU 104 7.427 6.016 4.795 668 HD11 LEU 104 1HD1 LEU 104 9.533 4.842 5.105 669 HD12 LEU 104 2HD1 LEU 104 9.768 6.588 5.024 670 HD13 LEU 104 3HD1 LEU 104 10.163 5.581 3.633 671 HD21 LEU 104 3HD2 LEU 104 8.325 7.960 3.656 672 HD22 LEU 104 1HD2 LEU 104 6.953 7.263 2.793 673 HD23 LEU 104 2HD2 LEU 104 8.597 6.985 2.211 674 H VAL 105 H VAL 105 5.306 2.709 3.604 675 HA VAL 105 HA VAL 105 4.875 1.203 1.095 676 HB VAL 105 HB VAL 105 5.184 -0.864 2.704 677 HG11 VAL 105 1HG1 VAL 105 6.472 -0.443 0.678 678 HG12 VAL 105 2HG1 VAL 105 7.511 -1.029 1.977 679 HG13 VAL 105 3HG1 VAL 105 7.505 0.683 1.560 680 HG21 VAL 105 3HG2 VAL 105 7.083 1.116 3.946 681 HG22 VAL 105 1HG2 VAL 105 6.884 -0.584 4.367 682 HG23 VAL 105 2HG2 VAL 105 5.587 0.565 4.698 683 H ASN 106 H ASN 106 2.842 0.900 0.813 684 HA ASN 106 HA ASN 106 1.052 0.607 3.136 685 HB2 ASN 106 1HB ASN 106 0.917 2.322 0.948 686 HB3 ASN 106 2HB ASN 106 -0.224 1.046 0.541 687 HD21 ASN 106 2HD2 ASN 106 -1.969 2.424 0.744 688 HD22 ASN 106 1HD2 ASN 106 -2.535 2.984 2.277 689 H VAL 107 H VAL 107 -0.426 -1.206 3.109 690 HA VAL 107 HA VAL 107 0.307 -3.228 1.093 691 HB VAL 107 HB VAL 107 0.035 -4.957 2.927 692 HG11 VAL 107 1HG1 VAL 107 2.351 -4.681 3.711 693 HG12 VAL 107 2HG1 VAL 107 2.358 -3.034 3.080 694 HG13 VAL 107 3HG1 VAL 107 2.206 -4.402 1.975 695 HG21 VAL 107 3HG2 VAL 107 0.417 -2.536 4.683 696 HG22 VAL 107 1HG2 VAL 107 0.470 -4.216 5.216 697 HG23 VAL 107 2HG2 VAL 107 -1.030 -3.537 4.586 698 H GLY 108 H GLY 108 -1.216 -4.434 0.254 699 HA2 GLY 108 1HA GLY 108 -3.249 -5.439 -0.096 700 HA3 GLY 108 2HA GLY 108 -3.665 -5.055 1.568 701 H CYS 109 H CYS 109 -2.909 -3.083 -1.295 702 HA CYS 109 HA CYS 109 -5.214 -1.428 -0.591 703 HB2 CYS 109 2HB CYS 109 -2.711 -0.921 -2.093 704 HB3 CYS 109 1HB CYS 109 -4.137 -0.061 -2.636 705 H THR 110 H THR 110 -6.990 -1.371 -1.687 706 HA THR 110 HA THR 110 -7.055 -2.531 -4.390 707 HB THR 110 HB THR 110 -9.524 -2.812 -3.960 708 HG1 THR 110 1HG THR 110 -8.880 -2.663 -1.205 709 HG21 THR 110 3HG2 THR 110 -7.660 -4.347 -2.147 710 HG22 THR 110 1HG2 THR 110 -7.969 -4.701 -3.848 711 HG23 THR 110 2HG2 THR 110 -9.265 -4.867 -2.664 712 HA PRO 111 HA PRO 111 -8.046 1.567 -5.770 713 HB2 PRO 111 2HB PRO 111 -9.466 0.250 -7.992 714 HB3 PRO 111 1HB PRO 111 -8.078 1.337 -8.047 715 HG2 PRO 111 2HG PRO 111 -7.762 -1.246 -8.563 716 HG3 PRO 111 1HG PRO 111 -6.568 -0.384 -7.571 717 HD2 PRO 111 2HD PRO 111 -8.855 -2.117 -6.672 718 HD3 PRO 111 1HD PRO 111 -7.154 -2.182 -6.181 719 H ILE 112 H ILE 112 -9.500 2.549 -4.542 720 HA ILE 112 HA ILE 112 -12.212 1.572 -4.355 721 HB ILE 112 HB ILE 112 -11.351 2.298 -2.285 722 HG12 ILE 112 1HG1 ILE 112 -13.142 4.475 -3.382 723 HG13 ILE 112 2HG1 ILE 112 -13.654 2.976 -2.618 724 HG21 ILE 112 1HG2 ILE 112 -9.470 3.601 -3.026 725 HG22 ILE 112 2HG2 ILE 112 -10.428 4.539 -1.882 726 HG23 ILE 112 3HG2 ILE 112 -10.541 4.875 -3.610 727 HD11 ILE 112 3HD1 ILE 112 -12.660 3.710 -0.508 728 HD12 ILE 112 1HD1 ILE 112 -13.877 4.845 -1.093 729 HD13 ILE 112 2HD1 ILE 112 -12.163 5.217 -1.277 730 H ASN 113 H ASN 113 -13.316 1.934 -6.161 731 HA ASN 113 HA ASN 113 -13.217 4.578 -7.377 732 HB2 ASN 113 1HB ASN 113 -14.687 3.454 -9.157 733 HB3 ASN 113 2HB ASN 113 -13.012 2.935 -9.049 734 HD21 ASN 113 2HD2 ASN 113 -12.537 0.880 -8.290 735 HD22 ASN 113 1HD2 ASN 113 -13.739 -0.357 -8.165 736 H ILE 114 H ILE 114 -14.405 5.932 -6.233 737 HA ILE 114 HA ILE 114 -16.913 5.199 -5.060 738 HB ILE 114 HB ILE 114 -16.979 7.896 -4.913 739 HG12 ILE 114 1HG1 ILE 114 -14.725 8.729 -4.419 740 HG13 ILE 114 2HG1 ILE 114 -14.033 7.176 -4.876 741 HG21 ILE 114 1HG2 ILE 114 -16.001 7.626 -2.669 742 HG22 ILE 114 2HG2 ILE 114 -15.483 6.001 -3.116 743 HG23 ILE 114 3HG2 ILE 114 -17.202 6.393 -3.051 744 HD11 ILE 114 3HD1 ILE 114 -13.698 8.735 -6.647 745 HD12 ILE 114 1HD1 ILE 114 -15.408 9.157 -6.669 746 HD13 ILE 114 2HD1 ILE 114 -14.892 7.549 -7.170 747 H GLY 115 H GLY 115 -16.019 6.071 -8.166 748 HA2 GLY 115 1HA GLY 115 -17.316 6.344 -10.051 749 HA3 GLY 115 2HA GLY 115 -18.744 6.179 -9.043 750 H LEU 116 H LEU 116 -16.469 8.524 -8.064 751 HA LEU 116 HA LEU 116 -18.169 10.651 -9.112 752 HB2 LEU 116 1HB LEU 116 -18.696 10.661 -6.865 753 HB3 LEU 116 2HB LEU 116 -17.116 10.085 -6.380 754 HG LEU 116 HG LEU 116 -16.235 12.370 -6.991 755 HD11 LEU 116 1HD1 LEU 116 -18.010 13.202 -8.354 756 HD12 LEU 116 2HD1 LEU 116 -17.932 14.194 -6.900 757 HD13 LEU 116 3HD1 LEU 116 -19.185 12.964 -7.063 758 HD21 LEU 116 3HD2 LEU 116 -16.922 13.329 -4.858 759 HD22 LEU 116 1HD2 LEU 116 -16.562 11.609 -4.695 760 HD23 LEU 116 2HD2 LEU 116 -18.237 12.160 -4.748 Start of MODEL 17 1 H1 LYS 10 1H LYS 10 -7.870 -0.464 32.660 2 H2 LYS 10 2H LYS 10 -6.269 -0.579 33.185 3 H3 LYS 10 3H LYS 10 -6.604 -0.127 31.592 4 HA LYS 10 HA LYS 10 -7.359 1.423 33.994 5 HB2 LYS 10 1HB LYS 10 -4.935 1.422 33.687 6 HB3 LYS 10 2HB LYS 10 -5.125 1.862 31.997 7 HG2 LYS 10 1HG LYS 10 -4.474 3.797 33.243 8 HG3 LYS 10 2HG LYS 10 -6.141 3.998 32.711 9 HD2 LYS 10 1HD LYS 10 -6.945 3.381 34.917 10 HD3 LYS 10 2HD LYS 10 -5.292 3.087 35.457 11 HE2 LYS 10 1HE LYS 10 -6.046 5.250 36.240 12 HE3 LYS 10 2HE LYS 10 -4.756 5.454 35.056 13 HZ1 LYS 10 3HZ LYS 10 -7.665 5.760 34.530 14 HZ2 LYS 10 1HZ LYS 10 -6.440 5.938 33.379 15 HZ3 LYS 10 2HZ LYS 10 -6.546 7.019 34.673 16 H ALA 11 H ALA 11 -6.516 2.095 30.599 17 HA ALA 11 HA ALA 11 -8.816 3.867 30.422 18 HB1 ALA 11 3HB ALA 11 -6.644 4.640 29.589 19 HB2 ALA 11 1HB ALA 11 -7.852 4.588 28.305 20 HB3 ALA 11 2HB ALA 11 -6.628 3.324 28.416 21 H MET 12 H MET 12 -10.418 2.202 30.510 22 HA MET 12 HA MET 12 -10.501 0.133 28.551 23 HB2 MET 12 1HB MET 12 -12.733 -0.354 29.400 24 HB3 MET 12 2HB MET 12 -11.610 -0.125 30.730 25 HG2 MET 12 1HG MET 12 -13.533 1.970 29.739 26 HG3 MET 12 2HG MET 12 -13.839 0.888 31.094 27 HE1 MET 12 3HE MET 12 -13.264 4.333 32.858 28 HE2 MET 12 1HE MET 12 -14.370 2.983 32.610 29 HE3 MET 12 2HE MET 12 -14.024 4.092 31.284 30 H ALA 13 H ALA 13 -11.172 0.214 26.544 31 HA ALA 13 HA ALA 13 -13.002 2.350 25.718 32 HB1 ALA 13 3HB ALA 13 -11.690 2.719 23.683 33 HB2 ALA 13 1HB ALA 13 -10.485 1.561 24.246 34 HB3 ALA 13 2HB ALA 13 -10.738 3.068 25.126 35 H ASP 14 H ASP 14 -14.550 1.698 24.308 36 HA ASP 14 HA ASP 14 -14.709 -1.151 23.792 37 HB2 ASP 14 1HB ASP 14 -16.661 1.111 23.381 38 HB3 ASP 14 2HB ASP 14 -16.979 -0.525 22.817 39 H ILE 15 H ILE 15 -12.721 -0.764 22.395 40 HA ILE 15 HA ILE 15 -13.440 0.046 19.677 41 HB ILE 15 HB ILE 15 -10.765 -0.883 20.745 42 HG12 ILE 15 1HG1 ILE 15 -11.730 1.924 20.145 43 HG13 ILE 15 2HG1 ILE 15 -11.533 1.251 21.758 44 HG21 ILE 15 1HG2 ILE 15 -11.549 0.388 18.126 45 HG22 ILE 15 2HG2 ILE 15 -10.980 -1.265 18.370 46 HG23 ILE 15 3HG2 ILE 15 -9.893 0.094 18.652 47 HD11 ILE 15 3HD1 ILE 15 -9.666 2.681 21.164 48 HD12 ILE 15 1HD1 ILE 15 -9.336 1.683 19.748 49 HD13 ILE 15 2HD1 ILE 15 -9.137 1.011 21.367 50 H GLY 16 H GLY 16 -14.565 -1.523 18.673 51 HA2 GLY 16 1HA GLY 16 -13.413 -4.240 18.739 52 HA3 GLY 16 2HA GLY 16 -15.140 -3.986 18.948 53 H SER 17 H SER 17 -13.416 -1.949 16.763 54 HA SER 17 HA SER 17 -15.037 -2.503 14.580 55 HB2 SER 17 1HB SER 17 -12.200 -1.446 14.526 56 HB3 SER 17 2HB SER 17 -13.413 -1.250 13.259 57 HG SER 17 HG SER 17 -14.621 -0.342 15.315 58 H THR 18 H THR 18 -15.037 -4.005 13.024 59 HA THR 18 HA THR 18 -13.246 -6.249 13.231 60 HB THR 18 HB THR 18 -15.345 -5.712 11.116 61 HG1 THR 18 1HG THR 18 -15.985 -5.802 13.489 62 HG21 THR 18 3HG2 THR 18 -13.769 -7.484 10.521 63 HG22 THR 18 1HG2 THR 18 -15.360 -8.158 10.872 64 HG23 THR 18 2HG2 THR 18 -14.066 -8.282 12.064 65 H ALA 19 H ALA 19 -11.232 -5.292 12.760 66 HA ALA 19 HA ALA 19 -10.857 -3.890 10.253 67 HB1 ALA 19 3HB ALA 19 -8.874 -4.620 12.402 68 HB2 ALA 19 1HB ALA 19 -9.733 -3.087 12.257 69 HB3 ALA 19 2HB ALA 19 -8.564 -3.564 11.027 70 H VAL 20 H VAL 20 -11.653 -6.096 9.307 71 HA VAL 20 HA VAL 20 -9.312 -7.235 8.071 72 HB VAL 20 HB VAL 20 -9.453 -8.744 9.942 73 HG11 VAL 20 1HG1 VAL 20 -11.459 -10.081 10.409 74 HG12 VAL 20 2HG1 VAL 20 -12.341 -9.157 9.193 75 HG13 VAL 20 3HG1 VAL 20 -11.734 -8.355 10.642 76 HG21 VAL 20 3HG2 VAL 20 -8.907 -9.753 7.794 77 HG22 VAL 20 1HG2 VAL 20 -10.617 -10.045 7.483 78 HG23 VAL 20 2HG2 VAL 20 -9.807 -10.882 8.806 79 HA PRO 21 HA PRO 21 -12.358 -7.097 4.801 80 HB2 PRO 21 2HB PRO 21 -10.717 -7.825 2.791 81 HB3 PRO 21 1HB PRO 21 -10.654 -6.217 3.522 82 HG2 PRO 21 2HG PRO 21 -8.889 -8.586 3.997 83 HG3 PRO 21 1HG PRO 21 -8.448 -6.876 3.828 84 HD2 PRO 21 2HD PRO 21 -8.671 -8.153 6.235 85 HD3 PRO 21 1HD PRO 21 -8.927 -6.411 6.019 86 H ARG 22 H ARG 22 -12.775 -9.213 6.370 87 HA ARG 22 HA ARG 22 -12.300 -11.707 5.003 88 HB2 ARG 22 1HB ARG 22 -13.602 -12.703 6.835 89 HB3 ARG 22 2HB ARG 22 -12.328 -11.655 7.440 90 HG2 ARG 22 1HG ARG 22 -13.992 -9.876 7.794 91 HG3 ARG 22 2HG ARG 22 -15.255 -10.978 7.244 92 HD2 ARG 22 1HD ARG 22 -13.476 -11.334 9.654 93 HD3 ARG 22 2HD ARG 22 -15.191 -10.927 9.666 94 HE ARG 22 HE ARG 22 -14.346 -13.451 8.441 95 HH11 ARG 22 1HH1 ARG 22 -15.959 -11.774 11.067 96 HH12 ARG 22 2HH1 ARG 22 -16.734 -13.204 11.663 97 HH21 ARG 22 1HH2 ARG 22 -15.366 -15.326 9.234 98 HH22 ARG 22 2HH2 ARG 22 -16.402 -15.218 10.618 99 H ASP 23 H ASP 23 -14.651 -9.254 4.967 100 HA ASP 23 HA ASP 23 -16.349 -10.898 3.214 101 HB2 ASP 23 1HB ASP 23 -17.533 -10.494 5.324 102 HB3 ASP 23 2HB ASP 23 -17.250 -8.765 5.168 103 H VAL 24 H VAL 24 -15.231 -10.140 1.411 104 HA VAL 24 HA VAL 24 -15.799 -7.369 0.679 105 HB VAL 24 HB VAL 24 -13.551 -7.285 1.629 106 HG11 VAL 24 1HG1 VAL 24 -12.845 -9.391 -0.406 107 HG12 VAL 24 2HG1 VAL 24 -12.876 -9.586 1.346 108 HG13 VAL 24 3HG1 VAL 24 -11.690 -8.516 0.599 109 HG21 VAL 24 3HG2 VAL 24 -13.508 -7.078 -1.380 110 HG22 VAL 24 1HG2 VAL 24 -12.343 -6.341 -0.281 111 HG23 VAL 24 2HG2 VAL 24 -14.029 -5.823 -0.257 112 H ASN 25 H ASN 25 -16.256 -7.104 -1.439 113 HA ASN 25 HA ASN 25 -15.794 -9.387 -3.241 114 HB2 ASN 25 1HB ASN 25 -18.180 -7.544 -3.065 115 HB3 ASN 25 2HB ASN 25 -17.852 -8.535 -4.481 116 HD21 ASN 25 2HD2 ASN 25 -18.055 -10.759 -4.344 117 HD22 ASN 25 1HD2 ASN 25 -18.915 -11.525 -3.054 118 H GLY 26 H GLY 26 -13.751 -8.263 -3.655 119 HA2 GLY 26 1HA GLY 26 -12.513 -7.123 -5.262 120 HA3 GLY 26 2HA GLY 26 -14.007 -6.444 -5.893 121 H GLY 27 H GLY 27 -15.111 -4.986 -4.107 122 HA2 GLY 27 1HA GLY 27 -13.020 -3.159 -3.108 123 HA3 GLY 27 2HA GLY 27 -14.626 -2.651 -3.615 124 H THR 28 H THR 28 -13.294 -2.195 -1.070 125 HA THR 28 HA THR 28 -14.318 -3.904 0.930 126 HB THR 28 HB THR 28 -13.736 -0.984 1.388 127 HG1 THR 28 1HG THR 28 -11.521 -1.539 1.453 128 HG21 THR 28 3HG2 THR 28 -13.143 -3.459 3.022 129 HG22 THR 28 1HG2 THR 28 -14.501 -2.367 3.292 130 HG23 THR 28 2HG2 THR 28 -12.849 -1.792 3.510 131 HA PRO 29 HA PRO 29 -18.672 -3.122 0.836 132 HB2 PRO 29 2HB PRO 29 -18.353 -3.103 3.809 133 HB3 PRO 29 1HB PRO 29 -19.539 -3.945 2.809 134 HG2 PRO 29 2HG PRO 29 -17.425 -5.227 3.827 135 HG3 PRO 29 1HG PRO 29 -18.065 -5.619 2.222 136 HD2 PRO 29 2HD PRO 29 -15.572 -4.210 2.967 137 HD3 PRO 29 1HD PRO 29 -15.956 -5.133 1.502 138 HA PRO 30 HA PRO 30 -19.011 0.963 3.196 139 HB2 PRO 30 2HB PRO 30 -16.861 1.616 4.903 140 HB3 PRO 30 1HB PRO 30 -18.413 0.935 5.387 141 HG2 PRO 30 2HG PRO 30 -15.934 -0.332 5.590 142 HG3 PRO 30 1HG PRO 30 -17.513 -1.126 5.687 143 HD2 PRO 30 2HD PRO 30 -15.655 -0.879 3.373 144 HD3 PRO 30 1HD PRO 30 -16.664 -2.257 3.864 145 H LYS 31 H LYS 31 -16.801 0.214 1.133 146 HA LYS 31 HA LYS 31 -15.531 1.257 -0.406 147 HB2 LYS 31 1HB LYS 31 -16.406 3.828 0.878 148 HB3 LYS 31 2HB LYS 31 -15.577 3.686 -0.660 149 HG2 LYS 31 1HG LYS 31 -17.489 2.433 -1.558 150 HG3 LYS 31 2HG LYS 31 -18.324 2.626 -0.017 151 HD2 LYS 31 1HD LYS 31 -19.172 4.304 -1.465 152 HD3 LYS 31 2HD LYS 31 -18.096 5.114 -0.326 153 HE2 LYS 31 1HE LYS 31 -17.642 6.005 -2.486 154 HE3 LYS 31 2HE LYS 31 -16.291 4.961 -2.057 155 HZ1 LYS 31 3HZ LYS 31 -18.535 4.262 -3.869 156 HZ2 LYS 31 1HZ LYS 31 -17.298 3.204 -3.414 157 HZ3 LYS 31 2HZ LYS 31 -16.940 4.581 -4.326 158 H SER 32 H SER 32 -15.183 3.115 2.607 159 HA SER 32 HA SER 32 -12.327 3.194 2.347 160 HB2 SER 32 1HB SER 32 -12.543 4.175 4.715 161 HB3 SER 32 2HB SER 32 -13.274 5.079 3.390 162 HG SER 32 HG SER 32 -14.573 4.720 5.375 163 H CYS 33 H CYS 33 -10.966 2.463 4.247 164 HA CYS 33 HA CYS 33 -11.335 -0.378 4.421 165 HB2 CYS 33 2HB CYS 33 -9.151 1.289 5.678 166 HB3 CYS 33 1HB CYS 33 -9.089 -0.419 5.252 167 H SER 34 H SER 34 -11.198 -1.587 6.409 168 HA SER 34 HA SER 34 -12.775 -0.351 8.515 169 HB2 SER 34 1HB SER 34 -11.836 -3.219 8.264 170 HB3 SER 34 2HB SER 34 -13.112 -2.610 9.320 171 HG SER 34 HG SER 34 -14.241 -1.988 7.378 172 H SER 35 H SER 35 -9.542 -0.925 7.818 173 HA SER 35 HA SER 35 -8.758 -0.968 10.642 174 HB2 SER 35 1HB SER 35 -6.454 -1.441 9.587 175 HB3 SER 35 2HB SER 35 -7.671 -2.715 9.498 176 HG SER 35 HG SER 35 -6.384 -1.908 7.504 177 H GLY 36 H GLY 36 -9.502 1.262 8.475 178 HA2 GLY 36 1HA GLY 36 -8.501 3.478 9.645 179 HA3 GLY 36 2HA GLY 36 -7.179 2.968 8.603 180 HA PRO 37 HA PRO 37 -10.374 5.414 6.156 181 HB2 PRO 37 2HB PRO 37 -8.312 7.482 5.909 182 HB3 PRO 37 1HB PRO 37 -9.993 7.633 6.431 183 HG2 PRO 37 2HG PRO 37 -7.955 7.918 8.160 184 HG3 PRO 37 1HG PRO 37 -9.488 7.161 8.641 185 HD2 PRO 37 2HD PRO 37 -6.905 5.864 7.841 186 HD3 PRO 37 1HD PRO 37 -7.958 5.495 9.227 187 H VAL 38 H VAL 38 -9.387 6.863 3.996 188 HA VAL 38 HA VAL 38 -8.416 4.620 2.413 189 HB VAL 38 HB VAL 38 -9.438 7.350 1.581 190 HG11 VAL 38 1HG1 VAL 38 -7.914 6.447 -0.099 191 HG12 VAL 38 2HG1 VAL 38 -9.580 6.436 -0.679 192 HG13 VAL 38 3HG1 VAL 38 -8.829 4.939 -0.126 193 HG21 VAL 38 3HG2 VAL 38 -10.735 4.638 1.483 194 HG22 VAL 38 1HG2 VAL 38 -11.440 6.145 0.901 195 HG23 VAL 38 2HG2 VAL 38 -11.124 5.924 2.623 196 H TYR 39 H TYR 39 -6.694 4.998 0.762 197 HA TYR 39 HA TYR 39 -4.761 7.033 1.646 198 HB2 TYR 39 2HB TYR 39 -3.981 4.286 0.662 199 HB3 TYR 39 1HB TYR 39 -2.940 5.506 1.383 200 HD1 TYR 39 1HD TYR 39 -3.205 6.033 3.839 201 HD2 TYR 39 2HD TYR 39 -5.143 2.728 1.992 202 HE1 TYR 39 1HE TYR 39 -3.579 5.023 6.051 203 HE2 TYR 39 2HE TYR 39 -5.523 1.709 4.197 204 HH TYR 39 HH TYR 39 -5.184 3.380 7.076 205 H CYS 40 H CYS 40 -3.841 8.212 0.085 206 HA CYS 40 HA CYS 40 -4.547 7.548 -2.689 207 HB2 CYS 40 2HB CYS 40 -5.181 9.792 -1.699 208 HB3 CYS 40 1HB CYS 40 -3.465 10.164 -1.633 209 H CYS 41 H CYS 41 -2.989 6.369 -3.645 210 HA CYS 41 HA CYS 41 -0.184 6.925 -2.957 211 HB2 CYS 41 2HB CYS 41 -1.400 4.553 -4.397 212 HB3 CYS 41 1HB CYS 41 0.294 4.724 -3.933 213 H ASN 42 H ASN 42 1.110 7.834 -4.372 214 HA ASN 42 HA ASN 42 0.256 8.973 -6.772 215 HB2 ASN 42 1HB ASN 42 3.014 8.249 -5.789 216 HB3 ASN 42 2HB ASN 42 2.724 9.189 -7.253 217 HD21 ASN 42 2HD2 ASN 42 1.883 11.271 -7.075 218 HD22 ASN 42 1HD2 ASN 42 1.943 12.148 -5.586 219 H LYS 43 H LYS 43 1.547 5.888 -6.001 220 HA LYS 43 HA LYS 43 0.554 4.690 -8.390 221 HB2 LYS 43 1HB LYS 43 3.520 4.993 -7.949 222 HB3 LYS 43 2HB LYS 43 2.893 3.576 -8.772 223 HG2 LYS 43 1HG LYS 43 2.378 6.401 -9.671 224 HG3 LYS 43 2HG LYS 43 3.704 5.402 -10.266 225 HD2 LYS 43 1HD LYS 43 0.788 4.649 -10.450 226 HD3 LYS 43 2HD LYS 43 1.699 5.422 -11.748 227 HE2 LYS 43 1HE LYS 43 2.314 2.743 -10.502 228 HE3 LYS 43 2HE LYS 43 1.552 3.001 -12.069 229 HZ1 LYS 43 3HZ LYS 43 4.309 3.793 -11.305 230 HZ2 LYS 43 1HZ LYS 43 3.580 4.146 -12.790 231 HZ3 LYS 43 2HZ LYS 43 3.878 2.541 -12.354 232 H THR 44 H THR 44 -0.197 2.685 -7.709 233 HA THR 44 HA THR 44 0.950 1.608 -5.268 234 HB THR 44 HB THR 44 -0.647 -0.294 -5.651 235 HG1 THR 44 1HG THR 44 -2.282 1.058 -7.330 236 HG21 THR 44 3HG2 THR 44 -2.590 0.986 -4.945 237 HG22 THR 44 1HG2 THR 44 -1.839 2.479 -5.510 238 HG23 THR 44 2HG2 THR 44 -1.133 1.586 -4.163 239 H GLU 45 H GLU 45 1.474 -0.748 -5.274 240 HA GLU 45 HA GLU 45 3.009 -1.425 -7.695 241 HB2 GLU 45 1HB GLU 45 4.400 -0.506 -5.789 242 HB3 GLU 45 2HB GLU 45 3.938 -1.929 -4.866 243 HG2 GLU 45 1HG GLU 45 6.129 -2.206 -5.856 244 HG3 GLU 45 2HG GLU 45 4.986 -3.361 -6.536 245 H ASP 46 H ASP 46 2.991 -3.542 -8.280 246 HA ASP 46 HA ASP 46 0.776 -5.077 -7.348 247 HB2 ASP 46 1HB ASP 46 2.966 -5.668 -9.334 248 HB3 ASP 46 2HB ASP 46 1.696 -6.824 -8.945 249 H SER 47 H SER 47 0.789 -6.141 -5.525 250 HA SER 47 HA SER 47 3.039 -6.732 -3.984 251 HB2 SER 47 1HB SER 47 0.414 -8.214 -3.838 252 HB3 SER 47 2HB SER 47 1.561 -7.902 -2.537 253 HG SER 47 HG SER 47 -0.380 -6.280 -3.622 254 H LYS 48 H LYS 48 1.978 -8.353 -6.751 255 HA LYS 48 HA LYS 48 2.971 -10.934 -5.884 256 HB2 LYS 48 1HB LYS 48 1.951 -10.150 -8.613 257 HB3 LYS 48 2HB LYS 48 2.198 -11.781 -8.006 258 HG2 LYS 48 1HG LYS 48 0.220 -9.786 -6.952 259 HG3 LYS 48 2HG LYS 48 -0.150 -11.155 -7.997 260 HD2 LYS 48 1HD LYS 48 1.064 -11.380 -5.244 261 HD3 LYS 48 2HD LYS 48 -0.659 -11.529 -5.582 262 HE2 LYS 48 1HE LYS 48 -0.230 -13.453 -7.005 263 HE3 LYS 48 2HE LYS 48 1.502 -13.288 -6.735 264 HZ1 LYS 48 3HZ LYS 48 0.472 -15.000 -5.335 265 HZ2 LYS 48 1HZ LYS 48 -0.495 -13.822 -4.602 266 HZ3 LYS 48 2HZ LYS 48 1.185 -13.775 -4.417 267 H HIS 49 H HIS 49 4.126 -8.115 -7.392 268 HA HIS 49 HA HIS 49 6.687 -9.377 -7.932 269 HB2 HIS 49 1HB HIS 49 5.013 -8.002 -10.025 270 HB3 HIS 49 2HB HIS 49 6.749 -8.162 -10.167 271 HD1 HIS 49 HD1 HIS 49 7.686 -10.565 -10.608 272 HD2 HIS 49 HD2 HIS 49 3.540 -10.287 -10.575 273 HE1 HIS 49 HE1 HIS 49 6.858 -12.711 -11.616 274 HE2 HIS 49 HE2 HIS 49 4.351 -12.604 -11.383 275 H LEU 50 H LEU 50 6.441 -7.738 -5.855 276 HA LEU 50 HA LEU 50 6.656 -5.005 -6.286 277 HB2 LEU 50 1HB LEU 50 7.846 -6.765 -4.158 278 HB3 LEU 50 2HB LEU 50 7.942 -5.027 -4.128 279 HG LEU 50 HG LEU 50 6.169 -5.402 -2.746 280 HD11 LEU 50 1HD1 LEU 50 4.120 -4.818 -3.875 281 HD12 LEU 50 2HD1 LEU 50 4.855 -5.220 -5.423 282 HD13 LEU 50 3HD1 LEU 50 5.478 -3.869 -4.473 283 HD21 LEU 50 3HD2 LEU 50 6.127 -7.820 -3.095 284 HD22 LEU 50 1HD2 LEU 50 5.124 -7.560 -4.521 285 HD23 LEU 50 2HD2 LEU 50 4.529 -7.089 -2.924 286 H ASP 51 H ASP 51 8.380 -3.625 -6.476 287 HA ASP 51 HA ASP 51 10.742 -4.430 -7.819 288 HB2 ASP 51 1HB ASP 51 9.710 -2.082 -7.736 289 HB3 ASP 51 2HB ASP 51 10.411 -1.938 -6.136 290 H LYS 52 H LYS 52 12.849 -4.757 -6.949 291 HA LYS 52 HA LYS 52 12.982 -5.893 -4.388 292 HB2 LYS 52 1HB LYS 52 15.223 -4.770 -6.066 293 HB3 LYS 52 2HB LYS 52 15.441 -5.743 -4.618 294 HG2 LYS 52 1HG LYS 52 14.141 -6.616 -7.191 295 HG3 LYS 52 2HG LYS 52 15.725 -7.105 -6.591 296 HD2 LYS 52 1HD LYS 52 13.082 -7.682 -5.249 297 HD3 LYS 52 2HD LYS 52 14.012 -8.828 -6.211 298 HE2 LYS 52 1HE LYS 52 14.944 -7.514 -3.664 299 HE3 LYS 52 2HE LYS 52 14.343 -9.164 -3.806 300 HZ1 LYS 52 3HZ LYS 52 16.182 -9.657 -5.301 301 HZ2 LYS 52 1HZ LYS 52 16.745 -9.119 -3.800 302 HZ3 LYS 52 2HZ LYS 52 16.767 -8.080 -5.129 303 H GLY 53 H GLY 53 13.374 -2.612 -5.489 304 HA2 GLY 53 1HA GLY 53 14.490 -1.542 -3.113 305 HA3 GLY 53 2HA GLY 53 13.576 -0.645 -4.320 306 H THR 54 H THR 54 11.189 -2.204 -4.148 307 HA THR 54 HA THR 54 10.030 -1.032 -1.791 308 HB THR 54 HB THR 54 8.715 -2.924 -3.752 309 HG1 THR 54 1HG THR 54 9.488 -0.277 -3.982 310 HG21 THR 54 3HG2 THR 54 6.648 -1.762 -3.033 311 HG22 THR 54 1HG2 THR 54 7.595 -0.866 -1.844 312 HG23 THR 54 2HG2 THR 54 7.439 -2.618 -1.709 313 H THR 55 H THR 55 10.637 -4.311 -2.976 314 HA THR 55 HA THR 55 9.739 -5.807 -0.830 315 HB THR 55 HB THR 55 12.211 -6.247 -2.516 316 HG1 THR 55 1HG THR 55 10.362 -7.853 -3.310 317 HG21 THR 55 3HG2 THR 55 10.640 -8.207 -0.846 318 HG22 THR 55 1HG2 THR 55 12.259 -7.601 -0.494 319 HG23 THR 55 2HG2 THR 55 11.982 -8.605 -1.919 320 H ALA 56 H ALA 56 12.672 -3.951 -1.233 321 HA ALA 56 HA ALA 56 14.073 -4.686 1.046 322 HB1 ALA 56 3HB ALA 56 15.119 -2.451 0.889 323 HB2 ALA 56 1HB ALA 56 13.895 -1.992 -0.298 324 HB3 ALA 56 2HB ALA 56 15.041 -3.282 -0.666 325 H LEU 57 H LEU 57 11.730 -1.992 0.701 326 HA LEU 57 HA LEU 57 11.814 -1.166 3.391 327 HB2 LEU 57 1HB LEU 57 9.472 -0.984 1.504 328 HB3 LEU 57 2HB LEU 57 9.637 -0.113 3.009 329 HG LEU 57 HG LEU 57 10.429 1.573 1.815 330 HD11 LEU 57 1HD1 LEU 57 12.766 -0.158 1.073 331 HD12 LEU 57 2HD1 LEU 57 12.576 0.605 2.652 332 HD13 LEU 57 3HD1 LEU 57 12.727 1.601 1.201 333 HD21 LEU 57 3HD2 LEU 57 9.400 0.359 -0.142 334 HD22 LEU 57 1HD2 LEU 57 11.024 -0.223 -0.504 335 HD23 LEU 57 2HD2 LEU 57 10.686 1.510 -0.529 336 H LEU 58 H LEU 58 9.708 -3.389 1.681 337 HA LEU 58 HA LEU 58 8.003 -4.065 3.784 338 HB2 LEU 58 1HB LEU 58 8.955 -5.897 1.596 339 HB3 LEU 58 2HB LEU 58 7.458 -6.029 2.499 340 HG LEU 58 HG LEU 58 8.129 -3.775 0.591 341 HD11 LEU 58 1HD1 LEU 58 6.247 -6.111 0.286 342 HD12 LEU 58 2HD1 LEU 58 7.785 -5.909 -0.552 343 HD13 LEU 58 3HD1 LEU 58 6.461 -4.786 -0.860 344 HD21 LEU 58 3HD2 LEU 58 5.579 -4.444 2.064 345 HD22 LEU 58 1HD2 LEU 58 5.772 -3.176 0.854 346 HD23 LEU 58 2HD2 LEU 58 6.641 -3.071 2.384 347 H GLY 59 H GLY 59 11.055 -5.518 2.734 348 HA2 GLY 59 1HA GLY 59 11.239 -7.487 4.703 349 HA3 GLY 59 2HA GLY 59 12.608 -6.736 3.903 350 H LEU 60 H LEU 60 12.144 -4.070 4.806 351 HA LEU 60 HA LEU 60 13.441 -4.020 7.296 352 HB2 LEU 60 1HB LEU 60 11.646 -1.850 6.191 353 HB3 LEU 60 2HB LEU 60 12.937 -1.652 7.362 354 HG LEU 60 HG LEU 60 13.198 -2.229 4.416 355 HD11 LEU 60 1HD1 LEU 60 14.458 -0.149 4.414 356 HD12 LEU 60 2HD1 LEU 60 14.190 0.027 6.146 357 HD13 LEU 60 3HD1 LEU 60 12.826 0.097 5.032 358 HD21 LEU 60 3HD2 LEU 60 15.360 -2.211 6.514 359 HD22 LEU 60 1HD2 LEU 60 15.605 -2.334 4.772 360 HD23 LEU 60 2HD2 LEU 60 14.771 -3.625 5.640 361 H LEU 61 H LEU 61 10.099 -3.622 6.396 362 HA LEU 61 HA LEU 61 9.221 -3.259 9.132 363 HB2 LEU 61 1HB LEU 61 7.653 -3.442 6.560 364 HB3 LEU 61 2HB LEU 61 7.019 -2.925 8.113 365 HG LEU 61 HG LEU 61 9.342 -1.452 6.949 366 HD11 LEU 61 1HD1 LEU 61 7.798 0.040 5.770 367 HD12 LEU 61 2HD1 LEU 61 6.473 -1.067 6.126 368 HD13 LEU 61 3HD1 LEU 61 7.806 -1.588 5.095 369 HD21 LEU 61 3HD2 LEU 61 6.966 -0.636 8.613 370 HD22 LEU 61 1HD2 LEU 61 8.287 0.423 8.112 371 HD23 LEU 61 2HD2 LEU 61 8.603 -0.926 9.203 372 H ASN 62 H ASN 62 10.049 -5.875 7.406 373 HA ASN 62 HA ASN 62 9.875 -8.097 7.774 374 HB2 ASN 62 1HB ASN 62 8.395 -7.189 10.236 375 HB3 ASN 62 2HB ASN 62 8.762 -8.876 9.897 376 HD21 ASN 62 2HD2 ASN 62 9.639 -7.171 12.100 377 HD22 ASN 62 1HD2 ASN 62 11.368 -7.184 12.050 378 H ILE 63 H ILE 63 8.025 -6.764 6.092 379 HA ILE 63 HA ILE 63 5.504 -8.167 6.406 380 HB ILE 63 HB ILE 63 6.510 -6.363 4.196 381 HG12 ILE 63 1HG1 ILE 63 4.477 -5.693 6.305 382 HG13 ILE 63 2HG1 ILE 63 6.199 -5.461 6.589 383 HG21 ILE 63 1HG2 ILE 63 4.748 -7.865 3.416 384 HG22 ILE 63 2HG2 ILE 63 4.168 -6.201 3.517 385 HG23 ILE 63 3HG2 ILE 63 3.722 -7.367 4.763 386 HD11 ILE 63 3HD1 ILE 63 6.333 -3.947 4.738 387 HD12 ILE 63 1HD1 ILE 63 5.074 -3.422 5.854 388 HD13 ILE 63 2HD1 ILE 63 4.636 -4.228 4.343 389 H LYS 64 H LYS 64 4.743 -9.712 4.965 390 HA LYS 64 HA LYS 64 6.872 -11.224 3.644 391 HB2 LYS 64 1HB LYS 64 5.093 -13.075 3.651 392 HB3 LYS 64 2HB LYS 64 5.817 -12.637 5.187 393 HG2 LYS 64 1HG LYS 64 3.246 -11.376 4.345 394 HG3 LYS 64 2HG LYS 64 3.257 -13.010 5.009 395 HD2 LYS 64 1HD LYS 64 4.363 -12.181 7.026 396 HD3 LYS 64 2HD LYS 64 4.355 -10.548 6.364 397 HE2 LYS 64 1HE LYS 64 2.527 -10.928 7.974 398 HE3 LYS 64 2HE LYS 64 1.938 -10.517 6.366 399 HZ1 LYS 64 3HZ LYS 64 1.355 -12.757 5.957 400 HZ2 LYS 64 1HZ LYS 64 0.751 -12.382 7.491 401 HZ3 LYS 64 2HZ LYS 64 2.159 -13.307 7.344 402 H ILE 65 H ILE 65 7.031 -11.110 1.560 403 HA ILE 65 HA ILE 65 5.179 -9.637 -0.012 404 HB ILE 65 HB ILE 65 7.724 -11.107 -0.652 405 HG12 ILE 65 1HG1 ILE 65 8.465 -8.823 -1.328 406 HG13 ILE 65 2HG1 ILE 65 6.903 -8.205 -0.818 407 HG21 ILE 65 1HG2 ILE 65 6.249 -11.429 -2.569 408 HG22 ILE 65 2HG2 ILE 65 7.578 -10.334 -2.958 409 HG23 ILE 65 3HG2 ILE 65 5.970 -9.688 -2.638 410 HD11 ILE 65 3HD1 ILE 65 8.952 -9.508 0.964 411 HD12 ILE 65 1HD1 ILE 65 7.394 -8.869 1.484 412 HD13 ILE 65 2HD1 ILE 65 8.629 -7.779 0.849 413 H GLY 66 H GLY 66 5.986 -13.079 0.234 414 HA2 GLY 66 1HA GLY 66 4.406 -13.854 -2.020 415 HA3 GLY 66 2HA GLY 66 5.091 -14.930 -0.814 416 H ASP 67 H ASP 67 3.500 -12.841 1.016 417 HA ASP 67 HA ASP 67 1.081 -14.507 1.070 418 HB2 ASP 67 1HB ASP 67 2.300 -14.551 3.139 419 HB3 ASP 67 2HB ASP 67 2.420 -12.798 3.166 420 H LEU 68 H LEU 68 2.211 -11.418 0.277 421 HA LEU 68 HA LEU 68 0.143 -9.723 1.014 422 HB2 LEU 68 1HB LEU 68 1.912 -9.631 -1.422 423 HB3 LEU 68 2HB LEU 68 0.869 -8.319 -0.899 424 HG LEU 68 HG LEU 68 3.162 -9.446 0.700 425 HD11 LEU 68 1HD1 LEU 68 4.266 -7.322 0.200 426 HD12 LEU 68 2HD1 LEU 68 2.921 -6.870 -0.849 427 HD13 LEU 68 3HD1 LEU 68 3.943 -8.246 -1.267 428 HD21 LEU 68 3HD2 LEU 68 1.338 -7.095 1.173 429 HD22 LEU 68 1HD2 LEU 68 2.780 -7.473 2.118 430 HD23 LEU 68 2HD2 LEU 68 1.410 -8.583 2.118 431 H LYS 69 H LYS 69 -1.616 -8.867 -0.092 432 HA LYS 69 HA LYS 69 -2.998 -10.952 -1.592 433 HB2 LYS 69 1HB LYS 69 -3.974 -8.602 0.012 434 HB3 LYS 69 2HB LYS 69 -5.045 -9.508 -1.043 435 HG2 LYS 69 1HG LYS 69 -5.312 -10.330 1.178 436 HG3 LYS 69 2HG LYS 69 -4.476 -11.563 0.238 437 HD2 LYS 69 1HD LYS 69 -2.332 -10.779 1.190 438 HD3 LYS 69 2HD LYS 69 -3.224 -9.626 2.183 439 HE2 LYS 69 1HE LYS 69 -3.623 -12.612 2.265 440 HE3 LYS 69 2HE LYS 69 -2.587 -11.719 3.375 441 HZ1 LYS 69 3HZ LYS 69 -5.518 -11.364 3.056 442 HZ2 LYS 69 1HZ LYS 69 -4.532 -10.463 4.098 443 HZ3 LYS 69 2HZ LYS 69 -4.743 -12.123 4.352 444 H ASP 70 H ASP 70 -3.712 -7.482 -1.714 445 HA ASP 70 HA ASP 70 -3.959 -7.777 -4.601 446 HB2 ASP 70 1HB ASP 70 -4.989 -5.750 -2.643 447 HB3 ASP 70 2HB ASP 70 -5.011 -5.433 -4.374 448 H LEU 71 H LEU 71 -3.430 -4.585 -3.431 449 HA LEU 71 HA LEU 71 -0.797 -4.586 -4.754 450 HB2 LEU 71 1HB LEU 71 -2.761 -2.350 -4.309 451 HB3 LEU 71 2HB LEU 71 -1.121 -2.101 -4.863 452 HG LEU 71 HG LEU 71 -2.222 -2.007 -6.828 453 HD11 LEU 71 1HD1 LEU 71 -0.615 -3.779 -7.059 454 HD12 LEU 71 2HD1 LEU 71 -2.030 -4.106 -8.058 455 HD13 LEU 71 3HD1 LEU 71 -1.808 -4.968 -6.536 456 HD21 LEU 71 3HD2 LEU 71 -4.157 -4.129 -5.930 457 HD22 LEU 71 1HD2 LEU 71 -4.268 -3.140 -7.387 458 HD23 LEU 71 2HD2 LEU 71 -4.427 -2.389 -5.794 459 H VAL 72 H VAL 72 0.733 -3.006 -3.950 460 HA VAL 72 HA VAL 72 0.344 -2.247 -1.128 461 HB VAL 72 HB VAL 72 2.390 -2.935 -0.518 462 HG11 VAL 72 1HG1 VAL 72 3.567 -4.600 -1.949 463 HG12 VAL 72 2HG1 VAL 72 2.415 -4.220 -3.233 464 HG13 VAL 72 3HG1 VAL 72 1.845 -4.910 -1.718 465 HG21 VAL 72 3HG2 VAL 72 4.473 -2.470 -1.905 466 HG22 VAL 72 1HG2 VAL 72 3.566 -1.069 -1.317 467 HG23 VAL 72 2HG2 VAL 72 3.410 -1.588 -2.999 468 H GLY 73 H GLY 73 1.531 -0.099 -0.706 469 HA2 GLY 73 1HA GLY 73 1.561 1.500 -3.157 470 HA3 GLY 73 2HA GLY 73 0.616 2.033 -1.783 471 H LEU 74 H LEU 74 3.049 3.149 -3.213 472 HA LEU 74 HA LEU 74 4.666 3.365 -0.780 473 HB2 LEU 74 1HB LEU 74 6.664 3.569 -1.962 474 HB3 LEU 74 2HB LEU 74 5.821 2.252 -2.732 475 HG LEU 74 HG LEU 74 6.870 3.422 -4.455 476 HD11 LEU 74 1HD1 LEU 74 4.025 4.384 -4.403 477 HD12 LEU 74 2HD1 LEU 74 4.621 2.857 -5.060 478 HD13 LEU 74 3HD1 LEU 74 5.083 4.383 -5.816 479 HD21 LEU 74 3HD2 LEU 74 7.490 5.432 -3.259 480 HD22 LEU 74 1HD2 LEU 74 5.822 6.003 -3.307 481 HD23 LEU 74 2HD2 LEU 74 6.742 5.841 -4.803 482 H ASN 75 H ASN 75 5.040 5.228 0.063 483 HA ASN 75 HA ASN 75 4.876 7.422 0.586 484 HB2 ASN 75 1HB ASN 75 6.344 7.249 -1.648 485 HB3 ASN 75 2HB ASN 75 5.044 8.279 -2.245 486 HD21 ASN 75 2HD2 ASN 75 7.612 7.940 0.067 487 HD22 ASN 75 1HD2 ASN 75 7.757 9.619 0.444 488 H CYS 76 H CYS 76 2.494 6.248 0.498 489 HA CYS 76 HA CYS 76 0.647 7.735 -1.152 490 HB2 CYS 76 2HB CYS 76 0.023 5.807 1.086 491 HB3 CYS 76 1HB CYS 76 -1.038 6.306 -0.226 492 H SER 77 H SER 77 -0.933 9.107 -0.382 493 HA SER 77 HA SER 77 -0.351 10.373 2.195 494 HB2 SER 77 1HB SER 77 -2.055 11.333 -0.117 495 HB3 SER 77 2HB SER 77 -1.679 12.257 1.337 496 HG SER 77 HG SER 77 0.617 11.407 0.348 497 HA PRO 78 HA PRO 78 -3.917 8.106 3.718 498 HB2 PRO 78 2HB PRO 78 -3.499 9.743 6.131 499 HB3 PRO 78 1HB PRO 78 -3.488 7.988 5.954 500 HG2 PRO 78 2HG PRO 78 -1.231 9.373 6.387 501 HG3 PRO 78 1HG PRO 78 -1.258 7.926 5.361 502 HD2 PRO 78 2HD PRO 78 -1.214 10.814 4.566 503 HD3 PRO 78 1HD PRO 78 -0.346 9.434 3.860 504 H LEU 79 H LEU 79 -5.962 8.565 3.463 505 HA LEU 79 HA LEU 79 -6.816 11.379 3.513 506 HB2 LEU 79 1HB LEU 79 -8.229 9.014 2.286 507 HB3 LEU 79 2HB LEU 79 -8.574 10.711 2.019 508 HG LEU 79 HG LEU 79 -6.069 9.274 1.141 509 HD11 LEU 79 1HD1 LEU 79 -8.440 10.229 -0.447 510 HD12 LEU 79 2HD1 LEU 79 -8.010 8.551 -0.106 511 HD13 LEU 79 3HD1 LEU 79 -6.955 9.544 -1.110 512 HD21 LEU 79 3HD2 LEU 79 -5.627 11.603 1.621 513 HD22 LEU 79 1HD2 LEU 79 -7.004 12.095 0.632 514 HD23 LEU 79 2HD2 LEU 79 -5.606 11.325 -0.121 515 H SER 80 H SER 80 -7.210 11.530 5.728 516 HA SER 80 HA SER 80 -8.621 9.441 7.114 517 HB2 SER 80 1HB SER 80 -8.400 11.102 9.050 518 HB3 SER 80 2HB SER 80 -6.901 10.490 8.355 519 HG SER 80 HG SER 80 -7.751 13.024 8.551 520 H VAL 81 H VAL 81 -9.433 12.421 5.567 521 HA VAL 81 HA VAL 81 -12.133 12.253 6.722 522 HB VAL 81 HB VAL 81 -12.363 14.687 6.053 523 HG11 VAL 81 1HG1 VAL 81 -10.305 13.957 8.135 524 HG12 VAL 81 2HG1 VAL 81 -12.054 13.985 8.363 525 HG13 VAL 81 3HG1 VAL 81 -11.181 15.485 8.052 526 HG21 VAL 81 3HG2 VAL 81 -9.351 14.573 5.935 527 HG22 VAL 81 1HG2 VAL 81 -10.369 15.996 5.732 528 HG23 VAL 81 2HG2 VAL 81 -10.395 14.712 4.521 529 H ILE 82 H ILE 82 -13.388 11.214 5.368 530 HA ILE 82 HA ILE 82 -12.990 11.273 2.525 531 HB ILE 82 HB ILE 82 -15.227 10.050 4.123 532 HG12 ILE 82 1HG1 ILE 82 -13.085 9.120 4.787 533 HG13 ILE 82 2HG1 ILE 82 -13.964 7.945 3.823 534 HG21 ILE 82 1HG2 ILE 82 -15.583 8.645 2.134 535 HG22 ILE 82 2HG2 ILE 82 -14.359 9.579 1.274 536 HG23 ILE 82 3HG2 ILE 82 -15.851 10.356 1.799 537 HD11 ILE 82 3HD1 ILE 82 -11.706 9.685 2.870 538 HD12 ILE 82 1HD1 ILE 82 -12.607 8.544 1.873 539 HD13 ILE 82 2HD1 ILE 82 -11.627 7.959 3.219 540 H GLY 83 H GLY 83 -14.260 12.280 0.995 541 HA2 GLY 83 1HA GLY 83 -16.322 13.386 0.363 542 HA3 GLY 83 2HA GLY 83 -16.407 14.028 1.998 543 H VAL 84 H VAL 84 -15.931 16.109 2.135 544 HA VAL 84 HA VAL 84 -14.896 17.622 0.023 545 HB VAL 84 HB VAL 84 -14.622 19.460 1.668 546 HG11 VAL 84 1HG1 VAL 84 -17.210 17.928 1.820 547 HG12 VAL 84 2HG1 VAL 84 -16.759 19.120 0.603 548 HG13 VAL 84 3HG1 VAL 84 -17.003 19.618 2.277 549 HG21 VAL 84 3HG2 VAL 84 -15.344 19.118 3.986 550 HG22 VAL 84 1HG2 VAL 84 -13.914 18.161 3.604 551 HG23 VAL 84 2HG2 VAL 84 -15.496 17.388 3.682 552 H GLY 85 H GLY 85 -13.282 16.178 2.804 553 HA2 GLY 85 1HA GLY 85 -10.766 17.449 2.213 554 HA3 GLY 85 2HA GLY 85 -11.056 16.228 3.441 555 H GLY 86 H GLY 86 -12.399 14.834 0.904 556 HA2 GLY 86 1HA GLY 86 -10.144 13.102 0.472 557 HA3 GLY 86 2HA GLY 86 -11.740 12.940 -0.249 558 H ASN 87 H ASN 87 -11.283 15.933 -1.009 559 HA ASN 87 HA ASN 87 -10.513 15.382 -3.693 560 HB2 ASN 87 1HB ASN 87 -10.927 18.023 -2.276 561 HB3 ASN 87 2HB ASN 87 -10.679 17.848 -4.009 562 HD21 ASN 87 2HD2 ASN 87 -12.887 17.543 -1.388 563 HD22 ASN 87 1HD2 ASN 87 -14.287 17.159 -2.330 564 H SER 88 H SER 88 -8.714 15.872 -0.923 565 HA SER 88 HA SER 88 -6.493 17.290 -1.955 566 HB2 SER 88 1HB SER 88 -5.299 16.299 0.030 567 HB3 SER 88 2HB SER 88 -6.788 17.154 0.429 568 HG SER 88 HG SER 88 -7.755 15.302 0.931 569 H CYS 89 H CYS 89 -7.572 14.021 -2.225 570 HA CYS 89 HA CYS 89 -5.045 12.947 -3.061 571 HB2 CYS 89 2HB CYS 89 -6.628 11.405 -2.105 572 HB3 CYS 89 1HB CYS 89 -7.867 11.874 -3.259 573 H SER 90 H SER 90 -4.139 13.240 -4.973 574 HA SER 90 HA SER 90 -5.886 13.713 -7.294 575 HB2 SER 90 1HB SER 90 -4.700 15.800 -6.541 576 HB3 SER 90 2HB SER 90 -3.169 14.988 -6.856 577 HG SER 90 HG SER 90 -4.152 14.654 -9.063 578 H ALA 91 H ALA 91 -4.628 11.329 -6.104 579 HA ALA 91 HA ALA 91 -3.080 10.457 -8.437 580 HB1 ALA 91 3HB ALA 91 -1.595 9.181 -6.940 581 HB2 ALA 91 1HB ALA 91 -2.390 9.916 -5.550 582 HB3 ALA 91 2HB ALA 91 -1.479 10.921 -6.678 583 H GLN 92 H GLN 92 -2.660 7.813 -7.311 584 HA GLN 92 HA GLN 92 -5.221 6.733 -8.025 585 HB2 GLN 92 1HB GLN 92 -3.720 5.386 -9.025 586 HB3 GLN 92 2HB GLN 92 -2.431 5.856 -7.926 587 HG2 GLN 92 1HG GLN 92 -2.938 4.215 -6.422 588 HG3 GLN 92 2HG GLN 92 -4.564 3.976 -7.040 589 HE21 GLN 92 2HE2 GLN 92 -1.778 4.264 -9.121 590 HE22 GLN 92 1HE2 GLN 92 -1.770 2.621 -9.660 591 H THR 93 H THR 93 -6.735 6.434 -6.597 592 HA THR 93 HA THR 93 -6.112 6.486 -3.770 593 HB THR 93 HB THR 93 -8.928 6.307 -4.680 594 HG1 THR 93 1HG THR 93 -7.267 8.570 -5.248 595 HG21 THR 93 3HG2 THR 93 -8.217 6.788 -2.336 596 HG22 THR 93 1HG2 THR 93 -9.237 8.047 -3.035 597 HG23 THR 93 2HG2 THR 93 -7.496 8.295 -2.910 598 H VAL 94 H VAL 94 -5.977 4.680 -2.629 599 HA VAL 94 HA VAL 94 -7.563 2.346 -3.451 600 HB VAL 94 HB VAL 94 -5.646 0.875 -2.755 601 HG11 VAL 94 1HG1 VAL 94 -5.295 2.662 -5.155 602 HG12 VAL 94 2HG1 VAL 94 -6.166 1.129 -5.079 603 HG13 VAL 94 3HG1 VAL 94 -4.419 1.156 -4.887 604 HG21 VAL 94 3HG2 VAL 94 -4.072 3.432 -2.999 605 HG22 VAL 94 1HG2 VAL 94 -3.402 1.816 -2.777 606 HG23 VAL 94 2HG2 VAL 94 -4.380 2.549 -1.504 607 H CYS 95 H CYS 95 -7.803 0.729 -1.804 608 HA CYS 95 HA CYS 95 -7.754 1.826 0.929 609 HB2 CYS 95 2HB CYS 95 -10.025 1.384 0.186 610 HB3 CYS 95 1HB CYS 95 -9.578 -0.234 -0.339 611 H CYS 96 H CYS 96 -6.192 0.969 2.130 612 HA CYS 96 HA CYS 96 -5.111 -1.657 1.362 613 HB2 CYS 96 2HB CYS 96 -3.716 0.528 2.916 614 HB3 CYS 96 1HB CYS 96 -2.987 -0.910 2.205 615 H THR 97 H THR 97 -4.553 -3.159 2.998 616 HA THR 97 HA THR 97 -6.527 -3.133 5.096 617 HB THR 97 HB THR 97 -6.045 -5.230 3.906 618 HG1 THR 97 1HG THR 97 -5.583 -5.043 6.693 619 HG21 THR 97 3HG2 THR 97 -3.347 -5.137 5.272 620 HG22 THR 97 1HG2 THR 97 -3.620 -4.881 3.548 621 HG23 THR 97 2HG2 THR 97 -3.970 -6.450 4.273 622 H ASN 98 H ASN 98 -3.144 -2.509 4.815 623 HA ASN 98 HA ASN 98 -3.112 -1.587 7.569 624 HB2 ASN 98 1HB ASN 98 -1.154 -3.632 6.497 625 HB3 ASN 98 2HB ASN 98 -0.833 -2.654 7.920 626 HD21 ASN 98 2HD2 ASN 98 -2.003 -3.037 9.806 627 HD22 ASN 98 1HD2 ASN 98 -2.886 -4.501 10.047 628 H THR 99 H THR 99 -1.362 -0.118 7.963 629 HA THR 99 HA THR 99 -0.078 0.894 5.534 630 HB THR 99 HB THR 99 -1.937 2.365 5.818 631 HG1 THR 99 1HG THR 99 0.055 3.389 5.347 632 HG21 THR 99 3HG2 THR 99 -2.529 1.884 8.123 633 HG22 THR 99 1HG2 THR 99 -2.329 3.622 7.907 634 HG23 THR 99 2HG2 THR 99 -1.063 2.679 8.690 635 H TYR 100 H TYR 100 1.987 1.424 5.764 636 HA TYR 100 HA TYR 100 3.060 1.638 8.499 637 HB2 TYR 100 2HB TYR 100 4.355 0.097 6.237 638 HB3 TYR 100 1HB TYR 100 5.005 0.302 7.861 639 HD1 TYR 100 2HD TYR 100 3.670 -0.662 9.804 640 HD2 TYR 100 1HD TYR 100 2.920 -1.685 5.745 641 HE1 TYR 100 2HE TYR 100 2.513 -2.707 10.539 642 HE2 TYR 100 1HE TYR 100 1.761 -3.729 6.464 643 HH TYR 100 HH TYR 100 0.827 -4.286 9.679 644 H GLN 101 H GLN 101 5.024 2.811 8.681 645 HA GLN 101 HA GLN 101 6.488 4.475 8.227 646 HB2 GLN 101 1HB GLN 101 6.148 3.252 5.514 647 HB3 GLN 101 2HB GLN 101 7.187 4.640 5.763 648 HG2 GLN 101 1HG GLN 101 7.472 2.132 7.367 649 HG3 GLN 101 2HG GLN 101 8.261 2.353 5.805 650 HE21 GLN 101 2HE2 GLN 101 9.879 3.842 5.588 651 HE22 GLN 101 1HE2 GLN 101 10.662 4.583 6.927 652 H HIS 102 H HIS 102 3.605 5.027 8.205 653 HA HIS 102 HA HIS 102 2.230 6.816 7.995 654 HB2 HIS 102 1HB HIS 102 4.805 8.146 7.194 655 HB3 HIS 102 2HB HIS 102 3.278 9.018 7.185 656 HD1 HIS 102 HD1 HIS 102 2.457 9.917 9.368 657 HD2 HIS 102 HD2 HIS 102 5.614 7.253 9.824 658 HE1 HIS 102 HE1 HIS 102 3.126 10.070 11.788 659 HE2 HIS 102 HE2 HIS 102 5.097 8.521 12.021 660 H GLY 103 H GLY 103 3.538 5.271 5.398 661 HA2 GLY 103 1HA GLY 103 1.554 5.215 3.704 662 HA3 GLY 103 2HA GLY 103 2.073 6.874 3.437 663 H LEU 104 H LEU 104 4.893 5.757 4.077 664 HA LEU 104 HA LEU 104 5.910 5.596 1.513 665 HB2 LEU 104 1HB LEU 104 7.081 4.119 3.856 666 HB3 LEU 104 2HB LEU 104 7.925 4.690 2.438 667 HG LEU 104 HG LEU 104 6.784 6.390 4.648 668 HD11 LEU 104 1HD1 LEU 104 8.834 5.181 5.180 669 HD12 LEU 104 2HD1 LEU 104 9.084 6.927 5.107 670 HD13 LEU 104 3HD1 LEU 104 9.613 5.903 3.771 671 HD21 LEU 104 3HD2 LEU 104 7.859 8.255 3.475 672 HD22 LEU 104 1HD2 LEU 104 6.502 7.562 2.587 673 HD23 LEU 104 2HD2 LEU 104 8.160 7.185 2.107 674 H VAL 105 H VAL 105 4.696 3.076 3.611 675 HA VAL 105 HA VAL 105 4.589 1.225 1.333 676 HB VAL 105 HB VAL 105 6.066 0.864 3.886 677 HG11 VAL 105 1HG1 VAL 105 5.806 -1.578 3.813 678 HG12 VAL 105 2HG1 VAL 105 4.531 -1.385 2.607 679 HG13 VAL 105 3HG1 VAL 105 4.316 -0.734 4.235 680 HG21 VAL 105 3HG2 VAL 105 7.244 1.092 1.784 681 HG22 VAL 105 1HG2 VAL 105 6.348 -0.271 1.110 682 HG23 VAL 105 2HG2 VAL 105 7.483 -0.529 2.437 683 H ASN 106 H ASN 106 2.591 0.613 1.104 684 HA ASN 106 HA ASN 106 0.956 0.088 3.500 685 HB2 ASN 106 1HB ASN 106 0.056 1.193 0.831 686 HB3 ASN 106 2HB ASN 106 -1.043 0.598 2.070 687 HD21 ASN 106 2HD2 ASN 106 -0.817 3.250 0.919 688 HD22 ASN 106 1HD2 ASN 106 -0.524 4.322 2.241 689 H VAL 107 H VAL 107 -0.709 -1.602 3.125 690 HA VAL 107 HA VAL 107 0.117 -3.539 1.070 691 HB VAL 107 HB VAL 107 -0.239 -5.363 2.799 692 HG11 VAL 107 1HG1 VAL 107 1.975 -4.796 1.953 693 HG12 VAL 107 2HG1 VAL 107 2.049 -5.190 3.670 694 HG13 VAL 107 3HG1 VAL 107 2.115 -3.507 3.149 695 HG21 VAL 107 3HG2 VAL 107 0.122 -3.046 4.697 696 HG22 VAL 107 1HG2 VAL 107 0.144 -4.754 5.140 697 HG23 VAL 107 2HG2 VAL 107 -1.331 -4.027 4.504 698 H GLY 108 H GLY 108 -1.428 -5.039 0.439 699 HA2 GLY 108 1HA GLY 108 -3.534 -5.794 -0.054 700 HA3 GLY 108 2HA GLY 108 -3.967 -5.370 1.596 701 H CYS 109 H CYS 109 -3.045 -3.572 -1.318 702 HA CYS 109 HA CYS 109 -5.065 -1.569 -0.647 703 HB2 CYS 109 2HB CYS 109 -2.796 -1.549 -2.638 704 HB3 CYS 109 1HB CYS 109 -3.866 -0.194 -2.341 705 H THR 110 H THR 110 -6.948 -1.483 -1.663 706 HA THR 110 HA THR 110 -7.165 -2.645 -4.363 707 HB THR 110 HB THR 110 -9.657 -2.807 -3.797 708 HG1 THR 110 1HG THR 110 -8.961 -3.010 -1.106 709 HG21 THR 110 3HG2 THR 110 -9.374 -4.945 -2.604 710 HG22 THR 110 1HG2 THR 110 -7.689 -4.528 -2.287 711 HG23 THR 110 2HG2 THR 110 -8.238 -4.777 -3.945 712 HA PRO 111 HA PRO 111 -7.816 1.553 -5.788 713 HB2 PRO 111 2HB PRO 111 -9.293 0.061 -7.897 714 HB3 PRO 111 1HB PRO 111 -8.059 1.315 -8.058 715 HG2 PRO 111 2HG PRO 111 -7.460 -1.240 -8.493 716 HG3 PRO 111 1HG PRO 111 -6.318 -0.162 -7.667 717 HD2 PRO 111 2HD PRO 111 -8.061 -2.300 -6.536 718 HD3 PRO 111 1HD PRO 111 -6.441 -1.779 -6.040 719 H ILE 112 H ILE 112 -9.241 2.644 -4.610 720 HA ILE 112 HA ILE 112 -12.066 1.843 -4.627 721 HB ILE 112 HB ILE 112 -11.202 2.053 -2.391 722 HG12 ILE 112 1HG1 ILE 112 -12.923 4.405 -3.192 723 HG13 ILE 112 2HG1 ILE 112 -13.454 2.845 -2.580 724 HG21 ILE 112 1HG2 ILE 112 -10.239 4.157 -1.550 725 HG22 ILE 112 2HG2 ILE 112 -10.273 4.803 -3.191 726 HG23 ILE 112 3HG2 ILE 112 -9.257 3.412 -2.812 727 HD11 ILE 112 3HD1 ILE 112 -11.923 4.910 -1.016 728 HD12 ILE 112 1HD1 ILE 112 -12.491 3.356 -0.405 729 HD13 ILE 112 2HD1 ILE 112 -13.652 4.588 -0.894 730 H ASN 113 H ASN 113 -13.622 3.193 -5.414 731 HA ASN 113 HA ASN 113 -12.683 5.689 -6.644 732 HB2 ASN 113 1HB ASN 113 -15.196 4.083 -7.155 733 HB3 ASN 113 2HB ASN 113 -14.818 5.621 -7.927 734 HD21 ASN 113 2HD2 ASN 113 -14.177 2.244 -7.822 735 HD22 ASN 113 1HD2 ASN 113 -13.153 2.177 -9.215 736 H ILE 114 H ILE 114 -12.946 7.413 -5.424 737 HA ILE 114 HA ILE 114 -14.757 7.387 -3.207 738 HB ILE 114 HB ILE 114 -13.911 9.901 -3.098 739 HG12 ILE 114 1HG1 ILE 114 -11.560 10.033 -3.868 740 HG13 ILE 114 2HG1 ILE 114 -11.745 8.482 -4.674 741 HG21 ILE 114 1HG2 ILE 114 -13.566 8.218 -1.397 742 HG22 ILE 114 2HG2 ILE 114 -12.069 9.106 -1.686 743 HG23 ILE 114 3HG2 ILE 114 -12.276 7.484 -2.350 744 HD11 ILE 114 3HD1 ILE 114 -11.902 10.282 -6.259 745 HD12 ILE 114 1HD1 ILE 114 -13.198 11.029 -5.326 746 HD13 ILE 114 2HD1 ILE 114 -13.464 9.474 -6.113 747 H GLY 115 H GLY 115 -15.052 8.331 -6.438 748 HA2 GLY 115 1HA GLY 115 -16.943 9.040 -7.540 749 HA3 GLY 115 2HA GLY 115 -17.784 9.025 -5.999 750 H LEU 116 H LEU 116 -14.905 10.899 -6.122 751 HA LEU 116 HA LEU 116 -16.490 13.342 -6.028 752 HB2 LEU 116 1HB LEU 116 -13.500 13.005 -5.742 753 HB3 LEU 116 2HB LEU 116 -14.418 14.449 -5.378 754 HG LEU 116 HG LEU 116 -14.846 11.869 -3.876 755 HD11 LEU 116 1HD1 LEU 116 -13.363 12.768 -2.151 756 HD12 LEU 116 2HD1 LEU 116 -12.956 14.121 -3.207 757 HD13 LEU 116 3HD1 LEU 116 -12.502 12.477 -3.661 758 HD21 LEU 116 3HD2 LEU 116 -15.587 14.749 -3.419 759 HD22 LEU 116 1HD2 LEU 116 -15.533 13.578 -2.102 760 HD23 LEU 116 2HD2 LEU 116 -16.637 13.329 -3.447 Start of MODEL 18 1 H1 LYS 10 1H LYS 10 10.962 35.339 -9.168 2 H2 LYS 10 2H LYS 10 10.609 36.107 -7.708 3 H3 LYS 10 3H LYS 10 10.456 36.951 -9.162 4 HA LYS 10 HA LYS 10 8.303 36.293 -8.297 5 HB2 LYS 10 1HB LYS 10 9.139 34.793 -10.787 6 HB3 LYS 10 2HB LYS 10 7.480 35.123 -10.317 7 HG2 LYS 10 1HG LYS 10 7.905 37.521 -10.520 8 HG3 LYS 10 2HG LYS 10 9.565 37.178 -11.006 9 HD2 LYS 10 1HD LYS 10 8.697 35.905 -12.937 10 HD3 LYS 10 2HD LYS 10 7.058 36.357 -12.466 11 HE2 LYS 10 1HE LYS 10 7.872 37.810 -14.234 12 HE3 LYS 10 2HE LYS 10 7.632 38.718 -12.744 13 HZ1 LYS 10 3HZ LYS 10 9.723 39.244 -13.932 14 HZ2 LYS 10 1HZ LYS 10 10.258 37.666 -13.642 15 HZ3 LYS 10 2HZ LYS 10 9.969 38.719 -12.344 16 H ALA 11 H ALA 11 7.142 34.856 -7.178 17 HA ALA 11 HA ALA 11 8.195 32.112 -6.967 18 HB1 ALA 11 3HB ALA 11 6.740 33.691 -4.845 19 HB2 ALA 11 1HB ALA 11 8.474 33.375 -4.882 20 HB3 ALA 11 2HB ALA 11 7.338 32.041 -4.687 21 H MET 12 H MET 12 6.343 33.039 -8.942 22 HA MET 12 HA MET 12 3.690 32.300 -8.143 23 HB2 MET 12 1HB MET 12 4.040 33.917 -9.953 24 HB3 MET 12 2HB MET 12 4.864 32.689 -10.905 25 HG2 MET 12 1HG MET 12 2.820 31.390 -11.039 26 HG3 MET 12 2HG MET 12 1.985 32.572 -10.034 27 HE1 MET 12 3HE MET 12 0.952 31.526 -12.870 28 HE2 MET 12 1HE MET 12 0.385 33.030 -13.594 29 HE3 MET 12 2HE MET 12 0.064 32.697 -11.892 30 H ALA 13 H ALA 13 6.244 30.801 -10.087 31 HA ALA 13 HA ALA 13 4.751 28.343 -10.377 32 HB1 ALA 13 3HB ALA 13 6.225 29.171 -12.168 33 HB2 ALA 13 1HB ALA 13 6.663 27.549 -11.633 34 HB3 ALA 13 2HB ALA 13 7.614 28.938 -11.109 35 H ASP 14 H ASP 14 5.652 29.409 -7.711 36 HA ASP 14 HA ASP 14 7.703 27.819 -6.630 37 HB2 ASP 14 1HB ASP 14 6.925 29.846 -5.532 38 HB3 ASP 14 2HB ASP 14 5.330 29.141 -5.298 39 H ILE 15 H ILE 15 4.277 27.280 -7.037 40 HA ILE 15 HA ILE 15 4.091 25.033 -5.306 41 HB ILE 15 HB ILE 15 2.279 26.018 -7.516 42 HG12 ILE 15 1HG1 ILE 15 0.767 26.459 -5.500 43 HG13 ILE 15 2HG1 ILE 15 2.187 26.178 -4.504 44 HG21 ILE 15 1HG2 ILE 15 1.993 23.616 -7.336 45 HG22 ILE 15 2HG2 ILE 15 0.583 24.454 -6.689 46 HG23 ILE 15 3HG2 ILE 15 1.775 23.756 -5.592 47 HD11 ILE 15 3HD1 ILE 15 3.319 28.041 -5.576 48 HD12 ILE 15 1HD1 ILE 15 1.788 28.548 -4.863 49 HD13 ILE 15 2HD1 ILE 15 1.913 28.312 -6.606 50 H GLY 16 H GLY 16 5.030 25.487 -8.605 51 HA2 GLY 16 1HA GLY 16 6.212 23.858 -9.866 52 HA3 GLY 16 2HA GLY 16 5.464 22.599 -8.887 53 H SER 17 H SER 17 3.015 22.524 -9.079 54 HA SER 17 HA SER 17 2.290 22.639 -11.900 55 HB2 SER 17 1HB SER 17 0.726 21.531 -9.553 56 HB3 SER 17 2HB SER 17 0.360 21.295 -11.262 57 HG SER 17 HG SER 17 2.480 20.269 -11.398 58 H THR 18 H THR 18 2.598 25.146 -10.890 59 HA THR 18 HA THR 18 0.305 26.290 -9.717 60 HB THR 18 HB THR 18 2.392 27.647 -11.436 61 HG1 THR 18 1HG THR 18 2.977 28.244 -9.059 62 HG21 THR 18 3HG2 THR 18 1.724 29.681 -10.225 63 HG22 THR 18 1HG2 THR 18 0.457 28.768 -9.404 64 HG23 THR 18 2HG2 THR 18 0.382 29.005 -11.149 65 H ALA 19 H ALA 19 -1.632 26.303 -10.594 66 HA ALA 19 HA ALA 19 -2.066 27.429 -13.205 67 HB1 ALA 19 3HB ALA 19 -1.616 25.115 -13.828 68 HB2 ALA 19 1HB ALA 19 -3.320 25.494 -14.076 69 HB3 ALA 19 2HB ALA 19 -2.822 24.552 -12.672 70 H VAL 20 H VAL 20 -4.425 27.674 -13.616 71 HA VAL 20 HA VAL 20 -5.947 27.648 -11.096 72 HB VAL 20 HB VAL 20 -7.261 29.590 -12.109 73 HG11 VAL 20 1HG1 VAL 20 -4.369 30.015 -11.362 74 HG12 VAL 20 2HG1 VAL 20 -5.724 29.869 -10.243 75 HG13 VAL 20 3HG1 VAL 20 -5.626 31.249 -11.336 76 HG21 VAL 20 3HG2 VAL 20 -6.061 30.982 -13.734 77 HG22 VAL 20 1HG2 VAL 20 -6.450 29.397 -14.406 78 HG23 VAL 20 2HG2 VAL 20 -4.809 29.747 -13.866 79 HA PRO 21 HA PRO 21 -8.217 25.029 -14.148 80 HB2 PRO 21 2HB PRO 21 -8.560 23.139 -11.974 81 HB3 PRO 21 1HB PRO 21 -7.717 22.913 -13.508 82 HG2 PRO 21 2HG PRO 21 -6.443 23.013 -11.103 83 HG3 PRO 21 1HG PRO 21 -5.688 23.505 -12.630 84 HD2 PRO 21 2HD PRO 21 -6.909 25.202 -10.483 85 HD3 PRO 21 1HD PRO 21 -5.420 25.466 -11.417 86 H ARG 22 H ARG 22 -10.098 26.141 -14.293 87 HA ARG 22 HA ARG 22 -11.813 26.480 -11.986 88 HB2 ARG 22 1HB ARG 22 -11.632 28.241 -13.727 89 HB3 ARG 22 2HB ARG 22 -12.339 27.133 -14.892 90 HG2 ARG 22 1HG ARG 22 -14.363 27.019 -13.423 91 HG3 ARG 22 2HG ARG 22 -13.653 28.317 -12.461 92 HD2 ARG 22 1HD ARG 22 -14.300 28.448 -15.401 93 HD3 ARG 22 2HD ARG 22 -15.246 29.176 -14.104 94 HE ARG 22 HE ARG 22 -12.653 30.141 -13.871 95 HH11 ARG 22 1HH1 ARG 22 -15.307 30.297 -16.140 96 HH12 ARG 22 2HH1 ARG 22 -14.851 31.851 -16.764 97 HH21 ARG 22 1HH2 ARG 22 -12.042 32.175 -14.684 98 HH22 ARG 22 2HH2 ARG 22 -12.981 32.918 -15.937 99 H ASP 23 H ASP 23 -11.805 24.092 -11.723 100 HA ASP 23 HA ASP 23 -14.237 23.006 -12.843 101 HB2 ASP 23 1HB ASP 23 -12.591 22.339 -14.531 102 HB3 ASP 23 2HB ASP 23 -11.567 21.644 -13.279 103 H VAL 24 H VAL 24 -15.197 21.596 -11.453 104 HA VAL 24 HA VAL 24 -13.793 21.176 -8.904 105 HB VAL 24 HB VAL 24 -16.763 21.112 -9.490 106 HG11 VAL 24 1HG1 VAL 24 -17.040 21.054 -7.059 107 HG12 VAL 24 2HG1 VAL 24 -15.291 20.953 -6.863 108 HG13 VAL 24 3HG1 VAL 24 -16.168 19.637 -7.644 109 HG21 VAL 24 3HG2 VAL 24 -15.086 23.192 -8.095 110 HG22 VAL 24 1HG2 VAL 24 -16.844 23.205 -8.212 111 HG23 VAL 24 2HG2 VAL 24 -15.862 23.360 -9.668 112 H ASN 25 H ASN 25 -13.211 19.181 -8.348 113 HA ASN 25 HA ASN 25 -13.954 16.956 -10.037 114 HB2 ASN 25 1HB ASN 25 -12.126 17.166 -7.638 115 HB3 ASN 25 2HB ASN 25 -12.458 15.645 -8.460 116 HD21 ASN 25 2HD2 ASN 25 -10.812 18.680 -8.607 117 HD22 ASN 25 1HD2 ASN 25 -9.883 18.345 -10.023 118 H GLY 26 H GLY 26 -14.696 18.191 -6.854 119 HA2 GLY 26 1HA GLY 26 -17.190 17.163 -6.614 120 HA3 GLY 26 2HA GLY 26 -16.171 15.840 -6.071 121 H GLY 27 H GLY 27 -16.553 15.788 -3.950 122 HA2 GLY 27 1HA GLY 27 -15.362 17.169 -2.029 123 HA3 GLY 27 2HA GLY 27 -16.683 18.262 -2.416 124 H THR 28 H THR 28 -16.621 14.736 -2.346 125 HA THR 28 HA THR 28 -18.187 14.594 0.069 126 HB THR 28 HB THR 28 -19.412 13.731 -2.552 127 HG1 THR 28 1HG THR 28 -19.496 16.071 -1.289 128 HG21 THR 28 3HG2 THR 28 -21.392 13.154 -1.203 129 HG22 THR 28 1HG2 THR 28 -20.462 13.484 0.260 130 HG23 THR 28 2HG2 THR 28 -19.985 12.161 -0.813 131 HA PRO 29 HA PRO 29 -16.464 10.431 -0.358 132 HB2 PRO 29 2HB PRO 29 -16.547 9.786 2.204 133 HB3 PRO 29 1HB PRO 29 -15.484 11.090 1.658 134 HG2 PRO 29 2HG PRO 29 -18.073 11.247 3.114 135 HG3 PRO 29 1HG PRO 29 -16.669 12.322 3.203 136 HD2 PRO 29 2HD PRO 29 -19.045 12.680 1.635 137 HD3 PRO 29 1HD PRO 29 -17.592 13.698 1.660 138 HA PRO 30 HA PRO 30 -20.883 8.719 -0.060 139 HB2 PRO 30 2HB PRO 30 -20.370 7.852 -2.817 140 HB3 PRO 30 1HB PRO 30 -21.771 8.697 -2.154 141 HG2 PRO 30 2HG PRO 30 -20.009 9.914 -3.775 142 HG3 PRO 30 1HG PRO 30 -20.837 10.767 -2.459 143 HD2 PRO 30 2HD PRO 30 -18.046 9.710 -2.563 144 HD3 PRO 30 1HD PRO 30 -18.644 11.224 -1.876 145 H LYS 31 H LYS 31 -17.748 7.695 -0.994 146 HA LYS 31 HA LYS 31 -18.345 4.991 -0.051 147 HB2 LYS 31 1HB LYS 31 -18.330 5.147 -2.609 148 HB3 LYS 31 2HB LYS 31 -16.603 5.444 -2.454 149 HG2 LYS 31 1HG LYS 31 -17.004 3.115 -2.935 150 HG3 LYS 31 2HG LYS 31 -16.341 3.291 -1.309 151 HD2 LYS 31 1HD LYS 31 -18.560 3.050 -0.354 152 HD3 LYS 31 2HD LYS 31 -19.268 2.966 -1.966 153 HE2 LYS 31 1HE LYS 31 -18.013 0.912 -2.403 154 HE3 LYS 31 2HE LYS 31 -17.310 0.998 -0.789 155 HZ1 LYS 31 3HZ LYS 31 -19.182 -0.526 -0.863 156 HZ2 LYS 31 1HZ LYS 31 -20.201 0.712 -1.399 157 HZ3 LYS 31 2HZ LYS 31 -19.525 0.787 0.147 158 H SER 32 H SER 32 -16.892 4.287 1.372 159 HA SER 32 HA SER 32 -14.109 4.824 1.143 160 HB2 SER 32 1HB SER 32 -14.002 5.928 3.466 161 HB3 SER 32 2HB SER 32 -14.500 6.928 2.103 162 HG SER 32 HG SER 32 -16.728 6.040 2.890 163 H CYS 33 H CYS 33 -13.070 4.083 3.433 164 HA CYS 33 HA CYS 33 -14.258 1.423 3.803 165 HB2 CYS 33 2HB CYS 33 -11.397 2.302 4.224 166 HB3 CYS 33 1HB CYS 33 -12.006 0.655 4.334 167 H SER 34 H SER 34 -15.215 1.069 5.666 168 HA SER 34 HA SER 34 -14.884 2.732 7.956 169 HB2 SER 34 1HB SER 34 -16.983 1.507 7.385 170 HB3 SER 34 2HB SER 34 -16.166 -0.007 7.759 171 HG SER 34 HG SER 34 -17.374 0.733 9.530 172 H SER 35 H SER 35 -13.388 -0.138 6.768 173 HA SER 35 HA SER 35 -12.345 -1.098 9.234 174 HB2 SER 35 1HB SER 35 -10.838 -2.427 7.618 175 HB3 SER 35 2HB SER 35 -12.577 -2.707 7.530 176 HG SER 35 HG SER 35 -10.892 -1.757 5.639 177 H GLY 36 H GLY 36 -11.463 1.496 7.225 178 HA2 GLY 36 1HA GLY 36 -9.520 2.522 8.853 179 HA3 GLY 36 2HA GLY 36 -8.648 1.463 7.753 180 HA PRO 37 HA PRO 37 -9.460 5.978 6.061 181 HB2 PRO 37 2HB PRO 37 -6.621 6.193 5.942 182 HB3 PRO 37 1HB PRO 37 -7.728 7.131 6.938 183 HG2 PRO 37 2HG PRO 37 -6.083 4.791 7.650 184 HG3 PRO 37 1HG PRO 37 -6.693 6.101 8.680 185 HD2 PRO 37 2HD PRO 37 -7.719 3.617 8.779 186 HD3 PRO 37 1HD PRO 37 -8.725 5.062 9.011 187 H VAL 38 H VAL 38 -9.060 6.497 3.933 188 HA VAL 38 HA VAL 38 -8.196 4.322 2.212 189 HB VAL 38 HB VAL 38 -9.254 7.090 1.569 190 HG11 VAL 38 1HG1 VAL 38 -8.722 4.777 -0.286 191 HG12 VAL 38 2HG1 VAL 38 -7.796 6.275 -0.211 192 HG13 VAL 38 3HG1 VAL 38 -9.484 6.307 -0.727 193 HG21 VAL 38 3HG2 VAL 38 -10.881 5.605 2.621 194 HG22 VAL 38 1HG2 VAL 38 -10.546 4.378 1.399 195 HG23 VAL 38 2HG2 VAL 38 -11.288 5.908 0.931 196 H TYR 39 H TYR 39 -6.492 4.724 0.573 197 HA TYR 39 HA TYR 39 -4.595 6.772 1.489 198 HB2 TYR 39 2HB TYR 39 -3.848 3.966 0.668 199 HB3 TYR 39 1HB TYR 39 -2.740 5.231 1.178 200 HD1 TYR 39 2HD TYR 39 -2.674 5.955 3.531 201 HD2 TYR 39 1HD TYR 39 -5.126 2.713 2.277 202 HE1 TYR 39 2HE TYR 39 -2.927 5.248 5.873 203 HE2 TYR 39 1HE TYR 39 -5.383 1.996 4.618 204 HH TYR 39 HH TYR 39 -4.368 2.221 6.741 205 H CYS 40 H CYS 40 -3.750 7.975 -0.025 206 HA CYS 40 HA CYS 40 -4.428 7.344 -2.801 207 HB2 CYS 40 2HB CYS 40 -5.077 9.563 -1.762 208 HB3 CYS 40 1HB CYS 40 -3.365 9.958 -1.733 209 H CYS 41 H CYS 41 -2.900 6.235 -3.799 210 HA CYS 41 HA CYS 41 -0.091 6.756 -3.087 211 HB2 CYS 41 2HB CYS 41 -1.294 4.379 -4.528 212 HB3 CYS 41 1HB CYS 41 0.370 4.534 -3.973 213 H ASN 42 H ASN 42 1.188 7.685 -4.490 214 HA ASN 42 HA ASN 42 0.400 8.798 -6.911 215 HB2 ASN 42 1HB ASN 42 3.128 8.021 -5.895 216 HB3 ASN 42 2HB ASN 42 2.883 8.941 -7.378 217 HD21 ASN 42 2HD2 ASN 42 2.091 11.046 -7.246 218 HD22 ASN 42 1HD2 ASN 42 2.145 11.948 -5.772 219 H LYS 43 H LYS 43 1.453 5.663 -6.126 220 HA LYS 43 HA LYS 43 0.539 4.489 -8.523 221 HB2 LYS 43 1HB LYS 43 3.456 4.998 -8.219 222 HB3 LYS 43 2HB LYS 43 3.003 3.382 -8.735 223 HG2 LYS 43 1HG LYS 43 2.149 5.916 -10.122 224 HG3 LYS 43 2HG LYS 43 3.529 4.927 -10.596 225 HD2 LYS 43 1HD LYS 43 0.667 3.975 -10.480 226 HD3 LYS 43 2HD LYS 43 1.513 4.470 -11.946 227 HE2 LYS 43 1HE LYS 43 2.273 2.171 -10.144 228 HE3 LYS 43 2HE LYS 43 1.488 2.041 -11.714 229 HZ1 LYS 43 3HZ LYS 43 3.444 3.049 -12.726 230 HZ2 LYS 43 1HZ LYS 43 3.845 1.629 -11.900 231 HZ3 LYS 43 2HZ LYS 43 4.203 3.133 -11.218 232 H THR 44 H THR 44 -0.355 2.617 -7.723 233 HA THR 44 HA THR 44 0.719 1.470 -5.314 234 HB THR 44 HB THR 44 -0.871 -0.429 -5.866 235 HG1 THR 44 1HG THR 44 -2.454 0.999 -7.481 236 HG21 THR 44 3HG2 THR 44 -2.791 0.838 -5.123 237 HG22 THR 44 1HG2 THR 44 -2.022 2.350 -5.605 238 HG23 THR 44 2HG2 THR 44 -1.346 1.393 -4.285 239 H GLU 45 H GLU 45 1.425 -0.734 -5.170 240 HA GLU 45 HA GLU 45 3.106 -1.445 -7.474 241 HB2 GLU 45 1HB GLU 45 3.886 -0.677 -4.909 242 HB3 GLU 45 2HB GLU 45 4.073 -2.426 -4.916 243 HG2 GLU 45 1HG GLU 45 5.331 -0.445 -6.800 244 HG3 GLU 45 2HG GLU 45 6.135 -1.368 -5.539 245 H ASP 46 H ASP 46 3.388 -3.666 -7.858 246 HA ASP 46 HA ASP 46 0.938 -5.100 -7.297 247 HB2 ASP 46 1HB ASP 46 1.772 -5.132 -9.568 248 HB3 ASP 46 2HB ASP 46 3.307 -5.809 -9.031 249 H SER 47 H SER 47 0.763 -6.145 -5.455 250 HA SER 47 HA SER 47 2.820 -6.913 -3.753 251 HB2 SER 47 1HB SER 47 0.056 -8.130 -3.958 252 HB3 SER 47 2HB SER 47 1.122 -8.204 -2.559 253 HG SER 47 HG SER 47 -0.613 -6.308 -3.224 254 H LYS 48 H LYS 48 1.928 -8.449 -6.648 255 HA LYS 48 HA LYS 48 2.730 -11.090 -5.746 256 HB2 LYS 48 1HB LYS 48 1.877 -10.158 -8.490 257 HB3 LYS 48 2HB LYS 48 2.121 -11.827 -7.997 258 HG2 LYS 48 1HG LYS 48 0.072 -9.960 -6.834 259 HG3 LYS 48 2HG LYS 48 -0.242 -11.178 -8.068 260 HD2 LYS 48 1HD LYS 48 0.459 -12.932 -6.507 261 HD3 LYS 48 2HD LYS 48 0.785 -11.708 -5.280 262 HE2 LYS 48 1HE LYS 48 -1.369 -12.765 -4.886 263 HE3 LYS 48 2HE LYS 48 -1.577 -11.062 -5.299 264 HZ1 LYS 48 3HZ LYS 48 -1.915 -13.339 -7.176 265 HZ2 LYS 48 1HZ LYS 48 -2.158 -11.707 -7.543 266 HZ3 LYS 48 2HZ LYS 48 -3.171 -12.486 -6.441 267 H HIS 49 H HIS 49 4.029 -8.347 -7.406 268 HA HIS 49 HA HIS 49 6.600 -9.697 -7.655 269 HB2 HIS 49 1HB HIS 49 5.120 -8.378 -9.924 270 HB3 HIS 49 2HB HIS 49 6.846 -8.667 -9.952 271 HD1 HIS 49 HD1 HIS 49 7.635 -11.134 -10.218 272 HD2 HIS 49 HD2 HIS 49 3.515 -10.598 -10.397 273 HE1 HIS 49 HE1 HIS 49 6.710 -13.279 -11.148 274 HE2 HIS 49 HE2 HIS 49 4.245 -12.856 -11.428 275 H LEU 50 H LEU 50 6.382 -7.958 -5.704 276 HA LEU 50 HA LEU 50 6.616 -5.248 -6.271 277 HB2 LEU 50 1HB LEU 50 7.765 -6.873 -4.027 278 HB3 LEU 50 2HB LEU 50 7.859 -5.142 -4.103 279 HG LEU 50 HG LEU 50 6.068 -5.562 -2.676 280 HD11 LEU 50 1HD1 LEU 50 5.584 -3.890 -4.387 281 HD12 LEU 50 2HD1 LEU 50 4.136 -4.707 -3.804 282 HD13 LEU 50 3HD1 LEU 50 4.822 -5.145 -5.365 283 HD21 LEU 50 3HD2 LEU 50 4.818 -7.457 -4.601 284 HD22 LEU 50 1HD2 LEU 50 4.400 -7.149 -2.914 285 HD23 LEU 50 2HD2 LEU 50 5.907 -7.974 -3.316 286 H ASP 51 H ASP 51 8.258 -3.907 -6.561 287 HA ASP 51 HA ASP 51 10.632 -4.739 -7.870 288 HB2 ASP 51 1HB ASP 51 9.413 -2.508 -8.005 289 HB3 ASP 51 2HB ASP 51 10.161 -2.109 -6.471 290 H LYS 52 H LYS 52 12.825 -4.605 -7.081 291 HA LYS 52 HA LYS 52 13.182 -5.546 -4.461 292 HB2 LYS 52 1HB LYS 52 15.603 -5.161 -4.832 293 HB3 LYS 52 2HB LYS 52 14.829 -6.117 -6.084 294 HG2 LYS 52 1HG LYS 52 16.229 -4.699 -7.269 295 HG3 LYS 52 2HG LYS 52 14.659 -3.908 -7.387 296 HD2 LYS 52 1HD LYS 52 16.266 -2.217 -6.904 297 HD3 LYS 52 2HD LYS 52 15.329 -2.492 -5.434 298 HE2 LYS 52 1HE LYS 52 17.678 -2.276 -4.892 299 HE3 LYS 52 2HE LYS 52 17.135 -3.921 -4.571 300 HZ1 LYS 52 3HZ LYS 52 19.268 -3.936 -5.661 301 HZ2 LYS 52 1HZ LYS 52 18.669 -3.015 -6.949 302 HZ3 LYS 52 2HZ LYS 52 18.107 -4.591 -6.700 303 H GLY 53 H GLY 53 13.053 -2.322 -5.742 304 HA2 GLY 53 1HA GLY 53 14.280 -1.021 -3.524 305 HA3 GLY 53 2HA GLY 53 13.206 -0.272 -4.698 306 H THR 54 H THR 54 10.998 -1.984 -4.276 307 HA THR 54 HA THR 54 9.903 -0.777 -1.904 308 HB THR 54 HB THR 54 8.593 -2.784 -3.753 309 HG1 THR 54 1HG THR 54 7.827 -1.013 -4.899 310 HG21 THR 54 3HG2 THR 54 7.449 -0.780 -1.805 311 HG22 THR 54 1HG2 THR 54 7.429 -2.537 -1.637 312 HG23 THR 54 2HG2 THR 54 6.499 -1.761 -2.922 313 H THR 55 H THR 55 10.593 -4.033 -3.086 314 HA THR 55 HA THR 55 9.907 -5.537 -0.867 315 HB THR 55 HB THR 55 12.307 -5.886 -2.671 316 HG1 THR 55 1HG THR 55 10.560 -6.067 -3.959 317 HG21 THR 55 3HG2 THR 55 10.933 -7.902 -0.895 318 HG22 THR 55 1HG2 THR 55 12.514 -7.178 -0.601 319 HG23 THR 55 2HG2 THR 55 12.272 -8.226 -1.997 320 H ALA 56 H ALA 56 12.725 -3.540 -1.439 321 HA ALA 56 HA ALA 56 14.286 -4.194 0.757 322 HB1 ALA 56 3HB ALA 56 15.075 -2.744 -1.019 323 HB2 ALA 56 1HB ALA 56 15.230 -1.926 0.536 324 HB3 ALA 56 2HB ALA 56 13.908 -1.506 -0.557 325 H LEU 57 H LEU 57 11.764 -1.658 0.551 326 HA LEU 57 HA LEU 57 11.969 -0.821 3.235 327 HB2 LEU 57 1HB LEU 57 9.502 -0.793 1.506 328 HB3 LEU 57 2HB LEU 57 9.715 0.101 2.994 329 HG LEU 57 HG LEU 57 10.306 1.816 1.722 330 HD11 LEU 57 1HD1 LEU 57 12.562 1.993 0.988 331 HD12 LEU 57 2HD1 LEU 57 12.715 0.240 0.870 332 HD13 LEU 57 3HD1 LEU 57 12.561 1.006 2.455 333 HD21 LEU 57 3HD2 LEU 57 10.482 1.726 -0.636 334 HD22 LEU 57 1HD2 LEU 57 9.256 0.544 -0.164 335 HD23 LEU 57 2HD2 LEU 57 10.883 0.008 -0.595 336 H LEU 58 H LEU 58 9.912 -3.172 1.644 337 HA LEU 58 HA LEU 58 8.359 -3.942 3.825 338 HB2 LEU 58 1HB LEU 58 9.319 -5.719 1.591 339 HB3 LEU 58 2HB LEU 58 7.887 -5.953 2.575 340 HG LEU 58 HG LEU 58 8.291 -3.664 0.635 341 HD11 LEU 58 1HD1 LEU 58 6.522 -6.097 0.432 342 HD12 LEU 58 2HD1 LEU 58 8.027 -5.857 -0.457 343 HD13 LEU 58 3HD1 LEU 58 6.655 -4.786 -0.743 344 HD21 LEU 58 3HD2 LEU 58 6.867 -3.061 2.518 345 HD22 LEU 58 1HD2 LEU 58 5.883 -4.501 2.254 346 HD23 LEU 58 2HD2 LEU 58 5.919 -3.223 1.040 347 H GLY 59 H GLY 59 11.428 -5.243 2.624 348 HA2 GLY 59 1HA GLY 59 11.808 -7.192 4.582 349 HA3 GLY 59 2HA GLY 59 13.096 -6.381 3.706 350 H LEU 60 H LEU 60 12.536 -3.725 4.652 351 HA LEU 60 HA LEU 60 14.046 -3.665 7.022 352 HB2 LEU 60 1HB LEU 60 12.110 -1.540 6.093 353 HB3 LEU 60 2HB LEU 60 13.455 -1.316 7.192 354 HG LEU 60 HG LEU 60 13.531 -1.760 4.220 355 HD11 LEU 60 1HD1 LEU 60 14.860 0.284 4.274 356 HD12 LEU 60 2HD1 LEU 60 14.684 0.354 6.028 357 HD13 LEU 60 3HD1 LEU 60 13.267 0.523 4.991 358 HD21 LEU 60 3HD2 LEU 60 15.847 -1.918 6.142 359 HD22 LEU 60 1HD2 LEU 60 15.950 -1.952 4.382 360 HD23 LEU 60 2HD2 LEU 60 15.155 -3.270 5.245 361 H LEU 61 H LEU 61 10.606 -3.356 6.459 362 HA LEU 61 HA LEU 61 9.999 -3.076 9.278 363 HB2 LEU 61 1HB LEU 61 8.127 -3.382 6.935 364 HB3 LEU 61 2HB LEU 61 7.711 -2.813 8.542 365 HG LEU 61 HG LEU 61 9.817 -1.291 7.126 366 HD11 LEU 61 1HD1 LEU 61 8.165 -0.041 5.827 367 HD12 LEU 61 2HD1 LEU 61 6.923 -1.197 6.311 368 HD13 LEU 61 3HD1 LEU 61 8.277 -1.724 5.313 369 HD21 LEU 61 3HD2 LEU 61 8.697 0.586 8.152 370 HD22 LEU 61 1HD2 LEU 61 8.970 -0.674 9.358 371 HD23 LEU 61 2HD2 LEU 61 7.363 -0.453 8.659 372 H ASN 62 H ASN 62 10.666 -5.635 7.321 373 HA ASN 62 HA ASN 62 10.620 -7.873 7.647 374 HB2 ASN 62 1HB ASN 62 10.938 -7.275 10.057 375 HB3 ASN 62 2HB ASN 62 9.194 -7.343 10.241 376 HD21 ASN 62 2HD2 ASN 62 12.061 -9.220 9.531 377 HD22 ASN 62 1HD2 ASN 62 11.387 -10.755 9.961 378 H ILE 63 H ILE 63 8.627 -6.537 6.168 379 HA ILE 63 HA ILE 63 6.148 -7.963 6.647 380 HB ILE 63 HB ILE 63 7.014 -6.204 4.340 381 HG12 ILE 63 1HG1 ILE 63 5.082 -5.519 6.546 382 HG13 ILE 63 2HG1 ILE 63 6.812 -5.234 6.713 383 HG21 ILE 63 1HG2 ILE 63 5.240 -7.758 3.688 384 HG22 ILE 63 2HG2 ILE 63 4.647 -6.099 3.759 385 HG23 ILE 63 3HG2 ILE 63 4.267 -7.226 5.061 386 HD11 ILE 63 3HD1 ILE 63 5.545 -3.259 5.979 387 HD12 ILE 63 1HD1 ILE 63 5.109 -4.128 4.505 388 HD13 ILE 63 2HD1 ILE 63 6.802 -3.756 4.848 389 H LYS 64 H LYS 64 5.314 -9.550 5.325 390 HA LYS 64 HA LYS 64 7.337 -11.130 3.940 391 HB2 LYS 64 1HB LYS 64 5.580 -12.952 4.064 392 HB3 LYS 64 2HB LYS 64 6.238 -12.423 5.601 393 HG2 LYS 64 1HG LYS 64 3.684 -11.258 4.568 394 HG3 LYS 64 2HG LYS 64 3.695 -12.831 5.362 395 HD2 LYS 64 1HD LYS 64 4.656 -11.839 7.362 396 HD3 LYS 64 2HD LYS 64 4.733 -10.267 6.575 397 HE2 LYS 64 1HE LYS 64 2.279 -10.297 6.340 398 HE3 LYS 64 2HE LYS 64 2.236 -11.835 7.200 399 HZ1 LYS 64 3HZ LYS 64 3.199 -10.737 9.128 400 HZ2 LYS 64 1HZ LYS 64 1.749 -9.994 8.674 401 HZ3 LYS 64 2HZ LYS 64 3.225 -9.263 8.301 402 H ILE 65 H ILE 65 7.429 -11.076 1.839 403 HA ILE 65 HA ILE 65 5.558 -9.554 0.319 404 HB ILE 65 HB ILE 65 8.048 -11.084 -0.417 405 HG12 ILE 65 1HG1 ILE 65 8.832 -8.819 -1.097 406 HG13 ILE 65 2HG1 ILE 65 7.314 -8.157 -0.516 407 HG21 ILE 65 1HG2 ILE 65 6.468 -11.322 -2.276 408 HG22 ILE 65 2HG2 ILE 65 7.842 -10.299 -2.702 409 HG23 ILE 65 3HG2 ILE 65 6.284 -9.569 -2.318 410 HD11 ILE 65 3HD1 ILE 65 9.122 -7.811 1.079 411 HD12 ILE 65 1HD1 ILE 65 9.387 -9.554 1.162 412 HD13 ILE 65 2HD1 ILE 65 7.874 -8.864 1.750 413 H GLY 66 H GLY 66 6.309 -12.984 0.634 414 HA2 GLY 66 1HA GLY 66 4.741 -13.838 -1.580 415 HA3 GLY 66 2HA GLY 66 5.353 -14.858 -0.290 416 H ASP 67 H ASP 67 3.795 -12.676 1.434 417 HA ASP 67 HA ASP 67 1.280 -14.199 1.327 418 HB2 ASP 67 1HB ASP 67 2.564 -14.424 3.427 419 HB3 ASP 67 2HB ASP 67 2.468 -12.682 3.657 420 H LEU 68 H LEU 68 2.451 -11.409 0.226 421 HA LEU 68 HA LEU 68 0.440 -9.564 1.085 422 HB2 LEU 68 1HB LEU 68 2.342 -9.480 -1.256 423 HB3 LEU 68 2HB LEU 68 1.314 -8.150 -0.751 424 HG LEU 68 HG LEU 68 3.499 -9.380 0.917 425 HD11 LEU 68 1HD1 LEU 68 3.382 -6.743 -0.536 426 HD12 LEU 68 2HD1 LEU 68 4.383 -8.129 -0.973 427 HD13 LEU 68 3HD1 LEU 68 4.672 -7.275 0.543 428 HD21 LEU 68 3HD2 LEU 68 3.067 -7.354 2.332 429 HD22 LEU 68 1HD2 LEU 68 1.785 -8.570 2.342 430 HD23 LEU 68 2HD2 LEU 68 1.594 -7.104 1.385 431 H LYS 69 H LYS 69 -1.347 -8.820 -0.046 432 HA LYS 69 HA LYS 69 -2.481 -10.948 -1.706 433 HB2 LYS 69 1HB LYS 69 -3.732 -8.808 -0.014 434 HB3 LYS 69 2HB LYS 69 -4.670 -9.691 -1.201 435 HG2 LYS 69 1HG LYS 69 -5.040 -10.756 0.864 436 HG3 LYS 69 2HG LYS 69 -3.949 -11.805 -0.041 437 HD2 LYS 69 1HD LYS 69 -2.047 -10.884 1.208 438 HD3 LYS 69 2HD LYS 69 -3.153 -9.849 2.113 439 HE2 LYS 69 1HE LYS 69 -4.273 -11.817 3.016 440 HE3 LYS 69 2HE LYS 69 -3.197 -12.866 2.094 441 HZ1 LYS 69 3HZ LYS 69 -2.468 -12.663 4.382 442 HZ2 LYS 69 1HZ LYS 69 -2.368 -10.982 4.236 443 HZ3 LYS 69 2HZ LYS 69 -1.323 -11.972 3.345 444 H ASP 70 H ASP 70 -3.751 -7.676 -1.749 445 HA ASP 70 HA ASP 70 -3.954 -7.880 -4.612 446 HB2 ASP 70 1HB ASP 70 -4.984 -5.951 -2.569 447 HB3 ASP 70 2HB ASP 70 -5.037 -5.528 -4.277 448 H LEU 71 H LEU 71 -3.452 -4.685 -3.416 449 HA LEU 71 HA LEU 71 -0.837 -4.627 -4.773 450 HB2 LEU 71 1HB LEU 71 -2.881 -2.440 -4.441 451 HB3 LEU 71 2HB LEU 71 -1.229 -2.151 -4.945 452 HG LEU 71 HG LEU 71 -2.263 -2.149 -6.949 453 HD11 LEU 71 1HD1 LEU 71 -1.728 -5.079 -6.569 454 HD12 LEU 71 2HD1 LEU 71 -0.557 -3.847 -7.050 455 HD13 LEU 71 3HD1 LEU 71 -1.901 -4.252 -8.119 456 HD21 LEU 71 3HD2 LEU 71 -4.503 -2.581 -6.086 457 HD22 LEU 71 1HD2 LEU 71 -4.147 -4.308 -6.022 458 HD23 LEU 71 2HD2 LEU 71 -4.204 -3.476 -7.577 459 H VAL 72 H VAL 72 0.676 -3.106 -3.987 460 HA VAL 72 HA VAL 72 0.301 -2.331 -1.172 461 HB VAL 72 HB VAL 72 2.421 -2.846 -0.618 462 HG11 VAL 72 1HG1 VAL 72 3.464 -4.690 -1.899 463 HG12 VAL 72 2HG1 VAL 72 2.263 -4.430 -3.167 464 HG13 VAL 72 3HG1 VAL 72 1.749 -4.930 -1.557 465 HG21 VAL 72 3HG2 VAL 72 3.563 -1.123 -1.691 466 HG22 VAL 72 1HG2 VAL 72 3.251 -1.794 -3.296 467 HG23 VAL 72 2HG2 VAL 72 4.390 -2.595 -2.215 468 H GLY 73 H GLY 73 1.728 -0.215 -0.823 469 HA2 GLY 73 1HA GLY 73 1.525 1.465 -3.206 470 HA3 GLY 73 2HA GLY 73 0.635 1.951 -1.769 471 H LEU 74 H LEU 74 3.098 3.028 -3.325 472 HA LEU 74 HA LEU 74 4.702 3.262 -0.884 473 HB2 LEU 74 1HB LEU 74 6.688 3.553 -2.066 474 HB3 LEU 74 2HB LEU 74 5.877 2.225 -2.852 475 HG LEU 74 HG LEU 74 6.907 3.462 -4.547 476 HD11 LEU 74 1HD1 LEU 74 4.029 4.316 -4.535 477 HD12 LEU 74 2HD1 LEU 74 4.660 2.772 -5.115 478 HD13 LEU 74 3HD1 LEU 74 5.101 4.274 -5.935 479 HD21 LEU 74 3HD2 LEU 74 6.657 5.877 -4.874 480 HD22 LEU 74 1HD2 LEU 74 7.410 5.496 -3.326 481 HD23 LEU 74 2HD2 LEU 74 5.717 5.980 -3.385 482 H ASN 75 H ASN 75 4.943 5.077 0.049 483 HA ASN 75 HA ASN 75 4.799 7.258 0.621 484 HB2 ASN 75 1HB ASN 75 6.275 7.240 -1.577 485 HB3 ASN 75 2HB ASN 75 4.899 8.129 -2.227 486 HD21 ASN 75 2HD2 ASN 75 7.484 8.114 0.070 487 HD22 ASN 75 1HD2 ASN 75 7.445 9.803 0.416 488 H CYS 76 H CYS 76 2.430 6.021 0.530 489 HA CYS 76 HA CYS 76 0.545 7.472 -1.100 490 HB2 CYS 76 2HB CYS 76 0.006 5.481 1.109 491 HB3 CYS 76 1HB CYS 76 -1.114 5.997 -0.149 492 H SER 77 H SER 77 -0.897 8.959 -0.443 493 HA SER 77 HA SER 77 -0.434 10.264 2.112 494 HB2 SER 77 1HB SER 77 -0.693 11.573 -0.007 495 HB3 SER 77 2HB SER 77 -2.358 11.010 -0.108 496 HG SER 77 HG SER 77 -2.244 13.061 0.860 497 HA PRO 78 HA PRO 78 -3.778 7.807 3.842 498 HB2 PRO 78 2HB PRO 78 -3.316 9.419 6.251 499 HB3 PRO 78 1HB PRO 78 -3.165 7.673 6.026 500 HG2 PRO 78 2HG PRO 78 -1.018 9.267 6.357 501 HG3 PRO 78 1HG PRO 78 -0.972 7.819 5.334 502 HD2 PRO 78 2HD PRO 78 -1.227 10.693 4.541 503 HD3 PRO 78 1HD PRO 78 -0.280 9.394 3.787 504 H LEU 79 H LEU 79 -5.798 8.232 3.432 505 HA LEU 79 HA LEU 79 -6.870 10.935 3.903 506 HB2 LEU 79 1HB LEU 79 -8.220 8.746 2.351 507 HB3 LEU 79 2HB LEU 79 -8.471 10.474 2.234 508 HG LEU 79 HG LEU 79 -5.978 9.045 1.303 509 HD11 LEU 79 1HD1 LEU 79 -6.827 9.445 -0.954 510 HD12 LEU 79 2HD1 LEU 79 -8.334 10.056 -0.271 511 HD13 LEU 79 3HD1 LEU 79 -7.875 8.371 -0.031 512 HD21 LEU 79 3HD2 LEU 79 -6.926 11.876 0.916 513 HD22 LEU 79 1HD2 LEU 79 -5.526 11.154 0.125 514 HD23 LEU 79 2HD2 LEU 79 -5.544 11.347 1.880 515 H SER 80 H SER 80 -7.286 10.654 6.137 516 HA SER 80 HA SER 80 -9.006 8.410 6.894 517 HB2 SER 80 1HB SER 80 -8.433 9.073 9.234 518 HB3 SER 80 2HB SER 80 -7.028 8.651 8.261 519 HG SER 80 HG SER 80 -6.655 10.888 7.953 520 H VAL 81 H VAL 81 -8.807 11.930 7.352 521 HA VAL 81 HA VAL 81 -11.661 11.965 7.954 522 HB VAL 81 HB VAL 81 -11.279 14.429 8.375 523 HG11 VAL 81 1HG1 VAL 81 -9.714 12.445 10.025 524 HG12 VAL 81 2HG1 VAL 81 -11.431 12.813 10.184 525 HG13 VAL 81 3HG1 VAL 81 -10.228 14.045 10.563 526 HG21 VAL 81 3HG2 VAL 81 -8.974 15.163 8.779 527 HG22 VAL 81 1HG2 VAL 81 -9.214 14.708 7.093 528 HG23 VAL 81 2HG2 VAL 81 -8.373 13.614 8.193 529 H ILE 82 H ILE 82 -12.836 11.829 6.168 530 HA ILE 82 HA ILE 82 -12.100 13.539 3.890 531 HB ILE 82 HB ILE 82 -13.620 10.956 3.742 532 HG12 ILE 82 1HG1 ILE 82 -10.727 11.633 3.208 533 HG13 ILE 82 2HG1 ILE 82 -11.359 10.442 4.341 534 HG21 ILE 82 1HG2 ILE 82 -12.444 12.679 1.562 535 HG22 ILE 82 2HG2 ILE 82 -14.149 12.656 2.014 536 HG23 ILE 82 3HG2 ILE 82 -13.392 11.206 1.345 537 HD11 ILE 82 3HD1 ILE 82 -10.433 9.375 2.382 538 HD12 ILE 82 1HD1 ILE 82 -11.519 10.305 1.351 539 HD13 ILE 82 2HD1 ILE 82 -12.175 9.113 2.471 540 H GLY 83 H GLY 83 -13.633 14.818 2.999 541 HA2 GLY 83 1HA GLY 83 -16.434 14.437 3.470 542 HA3 GLY 83 2HA GLY 83 -15.768 15.792 4.369 543 H VAL 84 H VAL 84 -15.925 17.690 3.381 544 HA VAL 84 HA VAL 84 -16.529 17.897 0.588 545 HB VAL 84 HB VAL 84 -15.629 20.111 2.443 546 HG11 VAL 84 1HG1 VAL 84 -15.557 20.703 0.080 547 HG12 VAL 84 2HG1 VAL 84 -16.857 21.567 0.900 548 HG13 VAL 84 3HG1 VAL 84 -17.229 20.174 -0.115 549 HG21 VAL 84 3HG2 VAL 84 -18.420 19.109 1.892 550 HG22 VAL 84 1HG2 VAL 84 -18.011 20.548 2.825 551 HG23 VAL 84 2HG2 VAL 84 -17.537 18.955 3.410 552 H GLY 85 H GLY 85 -13.685 18.114 2.589 553 HA2 GLY 85 1HA GLY 85 -12.025 18.544 0.191 554 HA3 GLY 85 2HA GLY 85 -11.501 18.815 1.849 555 H GLY 86 H GLY 86 -10.797 17.101 3.091 556 HA2 GLY 86 1HA GLY 86 -10.261 14.894 3.599 557 HA3 GLY 86 2HA GLY 86 -11.011 14.390 2.089 558 H ASN 87 H ASN 87 -8.296 16.492 3.023 559 HA ASN 87 HA ASN 87 -6.135 16.612 2.334 560 HB2 ASN 87 1HB ASN 87 -6.667 13.726 1.626 561 HB3 ASN 87 2HB ASN 87 -5.095 14.479 1.405 562 HD21 ASN 87 2HD2 ASN 87 -3.852 14.977 3.192 563 HD22 ASN 87 1HD2 ASN 87 -4.210 14.367 4.769 564 H SER 88 H SER 88 -4.761 15.815 0.151 565 HA SER 88 HA SER 88 -6.440 16.656 -2.115 566 HB2 SER 88 1HB SER 88 -3.526 17.324 -1.616 567 HB3 SER 88 2HB SER 88 -4.444 17.772 -3.054 568 HG SER 88 HG SER 88 -5.372 19.329 -1.982 569 H CYS 89 H CYS 89 -6.761 14.287 -2.301 570 HA CYS 89 HA CYS 89 -4.511 12.712 -3.149 571 HB2 CYS 89 2HB CYS 89 -6.268 11.502 -2.055 572 HB3 CYS 89 1HB CYS 89 -7.482 12.132 -3.157 573 H SER 90 H SER 90 -3.613 13.673 -4.912 574 HA SER 90 HA SER 90 -5.290 13.984 -7.300 575 HB2 SER 90 1HB SER 90 -2.452 14.947 -6.848 576 HB3 SER 90 2HB SER 90 -3.526 15.393 -8.174 577 HG SER 90 HG SER 90 -4.783 15.908 -5.894 578 H ALA 91 H ALA 91 -4.260 11.451 -6.130 579 HA ALA 91 HA ALA 91 -2.865 10.454 -8.508 580 HB1 ALA 91 3HB ALA 91 -1.428 9.065 -7.077 581 HB2 ALA 91 1HB ALA 91 -2.099 9.853 -5.652 582 HB3 ALA 91 2HB ALA 91 -1.162 10.788 -6.820 583 H GLN 92 H GLN 92 -2.604 7.790 -7.392 584 HA GLN 92 HA GLN 92 -5.243 6.902 -8.075 585 HB2 GLN 92 1HB GLN 92 -3.898 5.412 -9.079 586 HB3 GLN 92 2HB GLN 92 -2.530 5.848 -8.066 587 HG2 GLN 92 1HG GLN 92 -3.056 4.273 -6.468 588 HG3 GLN 92 2HG GLN 92 -4.699 4.066 -7.051 589 HE21 GLN 92 2HE2 GLN 92 -1.927 4.214 -9.165 590 HE22 GLN 92 1HE2 GLN 92 -1.995 2.562 -9.676 591 H THR 93 H THR 93 -6.787 6.455 -6.670 592 HA THR 93 HA THR 93 -6.144 6.506 -3.831 593 HB THR 93 HB THR 93 -8.978 6.337 -4.515 594 HG1 THR 93 1HG THR 93 -7.326 8.344 -5.687 595 HG21 THR 93 3HG2 THR 93 -9.097 8.301 -3.079 596 HG22 THR 93 1HG2 THR 93 -7.341 8.481 -3.134 597 HG23 THR 93 2HG2 THR 93 -8.064 7.078 -2.337 598 H VAL 94 H VAL 94 -5.913 4.676 -2.794 599 HA VAL 94 HA VAL 94 -7.574 2.369 -3.563 600 HB VAL 94 HB VAL 94 -5.605 0.950 -2.756 601 HG11 VAL 94 1HG1 VAL 94 -6.325 1.032 -5.083 602 HG12 VAL 94 2HG1 VAL 94 -4.579 0.902 -4.949 603 HG13 VAL 94 3HG1 VAL 94 -5.317 2.455 -5.350 604 HG21 VAL 94 3HG2 VAL 94 -4.145 3.513 -3.357 605 HG22 VAL 94 1HG2 VAL 94 -3.395 1.945 -3.053 606 HG23 VAL 94 2HG2 VAL 94 -4.309 2.748 -1.777 607 H CYS 95 H CYS 95 -7.742 0.746 -1.868 608 HA CYS 95 HA CYS 95 -7.652 1.934 0.825 609 HB2 CYS 95 2HB CYS 95 -9.953 1.585 -0.079 610 HB3 CYS 95 1HB CYS 95 -9.603 -0.133 -0.226 611 H CYS 96 H CYS 96 -6.022 1.030 1.918 612 HA CYS 96 HA CYS 96 -5.162 -1.675 1.265 613 HB2 CYS 96 2HB CYS 96 -3.914 0.659 2.570 614 HB3 CYS 96 1HB CYS 96 -3.441 -0.912 3.196 615 H THR 97 H THR 97 -4.492 -3.095 3.061 616 HA THR 97 HA THR 97 -6.657 -3.221 5.011 617 HB THR 97 HB THR 97 -5.962 -5.241 3.662 618 HG1 THR 97 1HG THR 97 -6.379 -5.074 6.376 619 HG21 THR 97 3HG2 THR 97 -3.531 -4.938 3.758 620 HG22 THR 97 1HG2 THR 97 -3.999 -6.508 4.414 621 HG23 THR 97 2HG2 THR 97 -3.565 -5.191 5.503 622 H ASN 98 H ASN 98 -3.325 -2.462 4.742 623 HA ASN 98 HA ASN 98 -3.245 -1.440 7.432 624 HB2 ASN 98 1HB ASN 98 -1.491 -3.751 6.594 625 HB3 ASN 98 2HB ASN 98 -0.972 -2.610 7.825 626 HD21 ASN 98 2HD2 ASN 98 -2.114 -2.519 9.791 627 HD22 ASN 98 1HD2 ASN 98 -3.082 -3.848 10.322 628 H THR 99 H THR 99 -1.138 -0.264 7.778 629 HA THR 99 HA THR 99 0.211 0.443 5.282 630 HB THR 99 HB THR 99 -1.456 2.181 5.528 631 HG1 THR 99 1HG THR 99 0.649 2.853 4.856 632 HG21 THR 99 3HG2 THR 99 -0.320 2.619 8.291 633 HG22 THR 99 1HG2 THR 99 -1.913 1.964 7.915 634 HG23 THR 99 2HG2 THR 99 -1.528 3.636 7.506 635 H TYR 100 H TYR 100 2.347 0.961 5.504 636 HA TYR 100 HA TYR 100 3.422 1.038 8.248 637 HB2 TYR 100 2HB TYR 100 4.718 -0.311 5.857 638 HB3 TYR 100 1HB TYR 100 5.418 -0.163 7.465 639 HD1 TYR 100 2HD TYR 100 2.848 -1.855 5.453 640 HD2 TYR 100 1HD TYR 100 4.707 -1.585 9.270 641 HE1 TYR 100 2HE TYR 100 1.809 -3.987 6.105 642 HE2 TYR 100 1HE TYR 100 3.675 -3.715 9.931 643 HH TYR 100 HH TYR 100 1.663 -5.068 9.278 644 H GLN 101 H GLN 101 5.194 2.402 8.570 645 HA GLN 101 HA GLN 101 6.595 4.158 8.225 646 HB2 GLN 101 1HB GLN 101 6.348 3.091 5.435 647 HB3 GLN 101 2HB GLN 101 7.272 4.548 5.763 648 HG2 GLN 101 1HG GLN 101 7.774 1.968 7.194 649 HG3 GLN 101 2HG GLN 101 8.551 2.379 5.670 650 HE21 GLN 101 2HE2 GLN 101 8.611 5.227 6.382 651 HE22 GLN 101 1HE2 GLN 101 9.914 5.397 7.487 652 H HIS 102 H HIS 102 3.627 4.381 8.085 653 HA HIS 102 HA HIS 102 2.076 6.012 7.940 654 HB2 HIS 102 1HB HIS 102 4.529 7.713 7.550 655 HB3 HIS 102 2HB HIS 102 2.908 8.394 7.585 656 HD1 HIS 102 HD1 HIS 102 2.262 9.235 9.805 657 HD2 HIS 102 HD2 HIS 102 4.974 6.097 10.083 658 HE1 HIS 102 HE1 HIS 102 2.731 8.961 12.261 659 HE2 HIS 102 HE2 HIS 102 4.280 6.977 12.411 660 H GLY 103 H GLY 103 3.595 4.831 5.344 661 HA2 GLY 103 1HA GLY 103 1.676 5.022 3.546 662 HA3 GLY 103 2HA GLY 103 2.344 6.641 3.428 663 H LEU 104 H LEU 104 5.098 5.328 4.032 664 HA LEU 104 HA LEU 104 6.010 5.324 1.409 665 HB2 LEU 104 1HB LEU 104 7.291 3.835 3.686 666 HB3 LEU 104 2HB LEU 104 8.073 4.368 2.213 667 HG LEU 104 HG LEU 104 7.138 6.034 4.524 668 HD11 LEU 104 1HD1 LEU 104 9.378 4.989 4.568 669 HD12 LEU 104 2HD1 LEU 104 9.414 6.751 4.594 670 HD13 LEU 104 3HD1 LEU 104 9.779 5.883 3.103 671 HD21 LEU 104 3HD2 LEU 104 7.929 6.990 1.794 672 HD22 LEU 104 1HD2 LEU 104 7.785 8.005 3.229 673 HD23 LEU 104 2HD2 LEU 104 6.360 7.190 2.580 674 H VAL 105 H VAL 105 4.965 2.618 3.410 675 HA VAL 105 HA VAL 105 4.569 1.065 0.954 676 HB VAL 105 HB VAL 105 5.311 -0.977 2.456 677 HG11 VAL 105 1HG1 VAL 105 6.264 -0.292 0.277 678 HG12 VAL 105 2HG1 VAL 105 7.473 -0.921 1.397 679 HG13 VAL 105 3HG1 VAL 105 7.338 0.818 1.132 680 HG21 VAL 105 3HG2 VAL 105 7.022 1.265 3.514 681 HG22 VAL 105 1HG2 VAL 105 7.218 -0.450 3.861 682 HG23 VAL 105 2HG2 VAL 105 5.785 0.405 4.428 683 H ASN 106 H ASN 106 2.565 0.524 0.897 684 HA ASN 106 HA ASN 106 1.125 -0.075 3.395 685 HB2 ASN 106 1HB ASN 106 0.163 1.117 0.795 686 HB3 ASN 106 2HB ASN 106 -0.936 0.462 2.001 687 HD21 ASN 106 2HD2 ASN 106 -1.864 2.528 2.179 688 HD22 ASN 106 1HD2 ASN 106 -1.098 3.767 3.109 689 H VAL 107 H VAL 107 -0.672 -1.696 3.085 690 HA VAL 107 HA VAL 107 0.072 -3.710 1.076 691 HB VAL 107 HB VAL 107 -0.287 -5.490 2.820 692 HG11 VAL 107 1HG1 VAL 107 1.938 -4.914 2.005 693 HG12 VAL 107 2HG1 VAL 107 1.987 -5.317 3.720 694 HG13 VAL 107 3HG1 VAL 107 2.058 -3.630 3.207 695 HG21 VAL 107 3HG2 VAL 107 0.053 -3.172 4.714 696 HG22 VAL 107 1HG2 VAL 107 0.045 -4.877 5.163 697 HG23 VAL 107 2HG2 VAL 107 -1.409 -4.132 4.497 698 H GLY 108 H GLY 108 -1.497 -4.941 0.278 699 HA2 GLY 108 1HA GLY 108 -3.585 -5.756 -0.164 700 HA3 GLY 108 2HA GLY 108 -4.006 -5.387 1.503 701 H CYS 109 H CYS 109 -3.114 -3.410 -1.322 702 HA CYS 109 HA CYS 109 -5.342 -1.646 -0.636 703 HB2 CYS 109 2HB CYS 109 -2.807 -1.286 -2.101 704 HB3 CYS 109 1HB CYS 109 -4.177 -0.393 -2.725 705 H THR 110 H THR 110 -7.128 -1.570 -1.690 706 HA THR 110 HA THR 110 -7.264 -2.653 -4.421 707 HB THR 110 HB THR 110 -9.746 -2.923 -3.906 708 HG1 THR 110 1HG THR 110 -9.132 -3.132 -1.197 709 HG21 THR 110 3HG2 THR 110 -9.428 -5.069 -2.771 710 HG22 THR 110 1HG2 THR 110 -7.793 -4.593 -2.317 711 HG23 THR 110 2HG2 THR 110 -8.202 -4.826 -4.016 712 HA PRO 111 HA PRO 111 -7.949 1.581 -5.735 713 HB2 PRO 111 2HB PRO 111 -9.428 0.042 -7.828 714 HB3 PRO 111 1HB PRO 111 -8.287 1.381 -8.013 715 HG2 PRO 111 2HG PRO 111 -7.486 -1.102 -8.480 716 HG3 PRO 111 1HG PRO 111 -6.432 0.028 -7.611 717 HD2 PRO 111 2HD PRO 111 -8.043 -2.252 -6.562 718 HD3 PRO 111 1HD PRO 111 -6.466 -1.640 -6.031 719 H ILE 112 H ILE 112 -9.352 2.678 -4.552 720 HA ILE 112 HA ILE 112 -12.205 1.953 -4.721 721 HB ILE 112 HB ILE 112 -11.480 1.728 -2.429 722 HG12 ILE 112 1HG1 ILE 112 -13.000 4.312 -2.866 723 HG13 ILE 112 2HG1 ILE 112 -13.689 2.703 -2.733 724 HG21 ILE 112 1HG2 ILE 112 -9.462 3.027 -2.461 725 HG22 ILE 112 2HG2 ILE 112 -10.518 3.655 -1.196 726 HG23 ILE 112 3HG2 ILE 112 -10.371 4.515 -2.730 727 HD11 ILE 112 3HD1 ILE 112 -14.012 4.001 -0.702 728 HD12 ILE 112 1HD1 ILE 112 -12.264 4.180 -0.535 729 HD13 ILE 112 2HD1 ILE 112 -13.001 2.583 -0.408 730 H ASN 113 H ASN 113 -13.569 3.435 -5.539 731 HA ASN 113 HA ASN 113 -12.533 6.128 -6.022 732 HB2 ASN 113 1HB ASN 113 -15.024 4.745 -7.035 733 HB3 ASN 113 2HB ASN 113 -14.654 6.436 -7.344 734 HD21 ASN 113 2HD2 ASN 113 -12.830 6.947 -8.619 735 HD22 ASN 113 1HD2 ASN 113 -12.200 5.797 -9.753 736 H ILE 114 H ILE 114 -12.662 7.222 -4.173 737 HA ILE 114 HA ILE 114 -14.769 6.902 -2.280 738 HB ILE 114 HB ILE 114 -13.730 8.758 -1.066 739 HG12 ILE 114 1HG1 ILE 114 -11.422 9.482 -2.158 740 HG13 ILE 114 2HG1 ILE 114 -12.275 9.113 -3.652 741 HG21 ILE 114 1HG2 ILE 114 -11.751 6.753 -2.135 742 HG22 ILE 114 2HG2 ILE 114 -12.837 6.527 -0.765 743 HG23 ILE 114 3HG2 ILE 114 -11.542 7.719 -0.676 744 HD11 ILE 114 3HD1 ILE 114 -14.048 10.681 -2.978 745 HD12 ILE 114 1HD1 ILE 114 -12.474 11.453 -3.170 746 HD13 ILE 114 2HD1 ILE 114 -13.094 11.104 -1.556 747 H GLY 115 H GLY 115 -14.798 8.259 -5.183 748 HA2 GLY 115 1HA GLY 115 -17.066 9.476 -5.524 749 HA3 GLY 115 2HA GLY 115 -16.282 10.687 -4.506 750 H LEU 116 H LEU 116 -13.658 9.924 -5.567 751 HA LEU 116 HA LEU 116 -13.851 11.211 -8.198 752 HB2 LEU 116 1HB LEU 116 -11.535 11.957 -7.858 753 HB3 LEU 116 2HB LEU 116 -12.613 12.568 -6.623 754 HG LEU 116 HG LEU 116 -11.713 10.454 -5.290 755 HD11 LEU 116 1HD1 LEU 116 -9.436 11.120 -7.150 756 HD12 LEU 116 2HD1 LEU 116 -10.345 9.610 -7.130 757 HD13 LEU 116 3HD1 LEU 116 -9.352 10.061 -5.744 758 HD21 LEU 116 3HD2 LEU 116 -11.560 12.795 -4.592 759 HD22 LEU 116 1HD2 LEU 116 -10.149 13.007 -5.627 760 HD23 LEU 116 2HD2 LEU 116 -10.073 11.910 -4.248 Start of MODEL 19 1 H1 LYS 10 1H LYS 10 -6.904 -1.125 -17.892 2 H2 LYS 10 2H LYS 10 -7.582 -2.045 -16.649 3 H3 LYS 10 3H LYS 10 -7.707 -2.568 -18.251 4 HA LYS 10 HA LYS 10 -5.329 -2.855 -18.384 5 HB2 LYS 10 1HB LYS 10 -4.792 -1.095 -16.705 6 HB3 LYS 10 2HB LYS 10 -5.375 -2.155 -15.437 7 HG2 LYS 10 1HG LYS 10 -3.212 -3.138 -17.230 8 HG3 LYS 10 2HG LYS 10 -2.812 -1.947 -15.994 9 HD2 LYS 10 1HD LYS 10 -4.213 -4.566 -15.451 10 HD3 LYS 10 2HD LYS 10 -2.475 -4.314 -15.282 11 HE2 LYS 10 1HE LYS 10 -2.838 -2.656 -13.569 12 HE3 LYS 10 2HE LYS 10 -4.582 -2.741 -13.802 13 HZ1 LYS 10 3HZ LYS 10 -4.499 -5.062 -13.069 14 HZ2 LYS 10 1HZ LYS 10 -3.940 -4.001 -11.877 15 HZ3 LYS 10 2HZ LYS 10 -2.841 -4.913 -12.778 16 H ALA 11 H ALA 11 -5.629 -4.924 -18.824 17 HA ALA 11 HA ALA 11 -5.850 -7.166 -18.579 18 HB1 ALA 11 3HB ALA 11 -5.043 -8.169 -16.511 19 HB2 ALA 11 1HB ALA 11 -5.109 -6.598 -15.714 20 HB3 ALA 11 2HB ALA 11 -3.980 -6.866 -17.042 21 H MET 12 H MET 12 -8.230 -5.742 -18.472 22 HA MET 12 HA MET 12 -10.437 -5.974 -18.011 23 HB2 MET 12 1HB MET 12 -9.579 -8.692 -17.007 24 HB3 MET 12 2HB MET 12 -11.247 -8.199 -17.259 25 HG2 MET 12 1HG MET 12 -9.145 -8.328 -19.410 26 HG3 MET 12 2HG MET 12 -10.343 -9.577 -19.091 27 HE1 MET 12 3HE MET 12 -12.960 -7.838 -18.410 28 HE2 MET 12 1HE MET 12 -12.918 -9.281 -19.423 29 HE3 MET 12 2HE MET 12 -13.690 -7.811 -20.015 30 H ALA 13 H ALA 13 -9.554 -4.317 -16.338 31 HA ALA 13 HA ALA 13 -9.685 -5.105 -13.584 32 HB1 ALA 13 3HB ALA 13 -9.771 -2.338 -14.784 33 HB2 ALA 13 1HB ALA 13 -8.307 -3.210 -14.329 34 HB3 ALA 13 2HB ALA 13 -9.473 -2.737 -13.092 35 H ASP 14 H ASP 14 -11.903 -3.859 -15.967 36 HA ASP 14 HA ASP 14 -14.045 -3.987 -13.950 37 HB2 ASP 14 1HB ASP 14 -15.249 -2.324 -15.050 38 HB3 ASP 14 2HB ASP 14 -13.594 -1.767 -15.264 39 H ILE 15 H ILE 15 -15.924 -5.114 -14.477 40 HA ILE 15 HA ILE 15 -15.691 -6.825 -16.857 41 HB ILE 15 HB ILE 15 -17.020 -7.623 -14.251 42 HG12 ILE 15 1HG1 ILE 15 -15.062 -9.351 -14.302 43 HG13 ILE 15 2HG1 ILE 15 -14.272 -8.176 -15.343 44 HG21 ILE 15 1HG2 ILE 15 -16.407 -9.202 -16.746 45 HG22 ILE 15 2HG2 ILE 15 -18.002 -8.690 -16.196 46 HG23 ILE 15 3HG2 ILE 15 -17.081 -9.865 -15.257 47 HD11 ILE 15 3HD1 ILE 15 -13.530 -7.905 -13.070 48 HD12 ILE 15 1HD1 ILE 15 -15.193 -7.729 -12.514 49 HD13 ILE 15 2HD1 ILE 15 -14.477 -6.498 -13.554 50 H GLY 16 H GLY 16 -16.791 -4.691 -17.567 51 HA2 GLY 16 1HA GLY 16 -18.797 -4.543 -18.912 52 HA3 GLY 16 2HA GLY 16 -19.680 -5.292 -17.590 53 H SER 17 H SER 17 -17.336 -2.666 -17.319 54 HA SER 17 HA SER 17 -19.448 -1.018 -16.138 55 HB2 SER 17 1HB SER 17 -16.447 -0.627 -16.197 56 HB3 SER 17 2HB SER 17 -17.600 0.375 -15.315 57 HG SER 17 HG SER 17 -17.835 -2.313 -14.809 58 H THR 18 H THR 18 -20.555 0.031 -17.673 59 HA THR 18 HA THR 18 -19.350 0.946 -20.097 60 HB THR 18 HB THR 18 -21.568 2.024 -20.509 61 HG1 THR 18 1HG THR 18 -21.825 1.578 -17.844 62 HG21 THR 18 3HG2 THR 18 -22.823 -0.082 -20.694 63 HG22 THR 18 1HG2 THR 18 -21.642 -0.868 -19.646 64 HG23 THR 18 2HG2 THR 18 -21.153 -0.268 -21.230 65 H ALA 19 H ALA 19 -18.177 2.683 -20.319 66 HA ALA 19 HA ALA 19 -17.375 4.790 -20.182 67 HB1 ALA 19 3HB ALA 19 -18.704 6.598 -19.257 68 HB2 ALA 19 1HB ALA 19 -19.812 5.432 -18.533 69 HB3 ALA 19 2HB ALA 19 -19.693 5.563 -20.287 70 H VAL 20 H VAL 20 -18.864 4.262 -16.975 71 HA VAL 20 HA VAL 20 -16.183 4.551 -15.804 72 HB VAL 20 HB VAL 20 -17.186 5.827 -13.907 73 HG11 VAL 20 1HG1 VAL 20 -17.324 7.976 -15.094 74 HG12 VAL 20 2HG1 VAL 20 -17.423 7.108 -16.626 75 HG13 VAL 20 3HG1 VAL 20 -15.963 6.997 -15.644 76 HG21 VAL 20 3HG2 VAL 20 -19.515 5.171 -14.188 77 HG22 VAL 20 1HG2 VAL 20 -19.583 6.026 -15.729 78 HG23 VAL 20 2HG2 VAL 20 -19.355 6.927 -14.231 79 HA PRO 21 HA PRO 21 -17.520 0.978 -13.500 80 HB2 PRO 21 2HB PRO 21 -15.373 0.687 -11.933 81 HB3 PRO 21 1HB PRO 21 -15.279 0.405 -13.676 82 HG2 PRO 21 2HG PRO 21 -14.398 2.778 -12.088 83 HG3 PRO 21 1HG PRO 21 -13.606 1.993 -13.465 84 HD2 PRO 21 2HD PRO 21 -15.150 4.287 -13.620 85 HD3 PRO 21 1HD PRO 21 -14.801 3.203 -14.980 86 H ARG 22 H ARG 22 -18.832 3.261 -12.651 87 HA ARG 22 HA ARG 22 -18.244 3.648 -9.829 88 HB2 ARG 22 1HB ARG 22 -18.778 5.609 -11.198 89 HB3 ARG 22 2HB ARG 22 -20.348 4.921 -11.587 90 HG2 ARG 22 1HG ARG 22 -21.021 5.063 -9.266 91 HG3 ARG 22 2HG ARG 22 -19.425 5.665 -8.818 92 HD2 ARG 22 1HD ARG 22 -21.056 7.481 -8.991 93 HD3 ARG 22 2HD ARG 22 -19.768 7.645 -10.183 94 HE ARG 22 HE ARG 22 -22.366 6.464 -10.912 95 HH11 ARG 22 1HH1 ARG 22 -19.852 8.857 -11.394 96 HH12 ARG 22 2HH1 ARG 22 -20.566 9.505 -12.833 97 HH21 ARG 22 1HH2 ARG 22 -23.297 7.293 -12.816 98 HH22 ARG 22 2HH2 ARG 22 -22.531 8.608 -13.651 99 H ASP 23 H ASP 23 -18.817 1.812 -8.800 100 HA ASP 23 HA ASP 23 -20.143 0.359 -7.682 101 HB2 ASP 23 1HB ASP 23 -22.024 2.624 -8.179 102 HB3 ASP 23 2HB ASP 23 -22.646 1.130 -7.487 103 H VAL 24 H VAL 24 -19.816 0.026 -10.573 104 HA VAL 24 HA VAL 24 -22.237 -1.083 -11.601 105 HB VAL 24 HB VAL 24 -19.404 -1.745 -12.439 106 HG11 VAL 24 1HG1 VAL 24 -20.412 -2.316 -14.586 107 HG12 VAL 24 2HG1 VAL 24 -22.010 -1.932 -13.947 108 HG13 VAL 24 3HG1 VAL 24 -21.099 -3.289 -13.285 109 HG21 VAL 24 3HG2 VAL 24 -19.740 0.664 -12.508 110 HG22 VAL 24 1HG2 VAL 24 -21.221 0.447 -13.441 111 HG23 VAL 24 2HG2 VAL 24 -19.665 0.003 -14.142 112 H ASN 25 H ASN 25 -19.371 -2.344 -9.991 113 HA ASN 25 HA ASN 25 -20.918 -4.747 -9.276 114 HB2 ASN 25 1HB ASN 25 -18.891 -6.066 -9.305 115 HB3 ASN 25 2HB ASN 25 -19.054 -5.259 -10.857 116 HD21 ASN 25 2HD2 ASN 25 -16.675 -6.343 -9.725 117 HD22 ASN 25 1HD2 ASN 25 -15.556 -5.039 -9.538 118 H GLY 26 H GLY 26 -20.129 -1.966 -8.121 119 HA2 GLY 26 1HA GLY 26 -18.707 -2.656 -5.701 120 HA3 GLY 26 2HA GLY 26 -19.360 -1.077 -6.118 121 H GLY 27 H GLY 27 -21.200 -0.423 -5.162 122 HA2 GLY 27 1HA GLY 27 -23.482 -1.075 -4.479 123 HA3 GLY 27 2HA GLY 27 -22.751 -2.483 -3.720 124 H THR 28 H THR 28 -23.972 0.515 -3.180 125 HA THR 28 HA THR 28 -24.199 1.790 -1.322 126 HB THR 28 HB THR 28 -22.354 0.009 0.244 127 HG1 THR 28 1HG THR 28 -24.555 -0.791 -1.074 128 HG21 THR 28 3HG2 THR 28 -23.379 2.125 1.198 129 HG22 THR 28 1HG2 THR 28 -23.710 0.644 2.096 130 HG23 THR 28 2HG2 THR 28 -24.943 1.329 1.043 131 HA PRO 29 HA PRO 29 -21.043 4.653 -2.358 132 HB2 PRO 29 2HB PRO 29 -21.978 5.845 0.216 133 HB3 PRO 29 1HB PRO 29 -21.691 6.617 -1.345 134 HG2 PRO 29 2HG PRO 29 -24.162 6.018 -0.569 135 HG3 PRO 29 1HG PRO 29 -23.662 5.815 -2.259 136 HD2 PRO 29 2HD PRO 29 -24.148 3.762 -0.166 137 HD3 PRO 29 1HD PRO 29 -24.340 3.656 -1.926 138 HA PRO 30 HA PRO 30 -18.347 4.603 1.650 139 HB2 PRO 30 2HB PRO 30 -19.337 2.371 3.268 140 HB3 PRO 30 1HB PRO 30 -18.987 4.032 3.751 141 HG2 PRO 30 2HG PRO 30 -21.501 3.073 3.612 142 HG3 PRO 30 1HG PRO 30 -21.105 4.763 3.258 143 HD2 PRO 30 2HD PRO 30 -21.620 2.504 1.371 144 HD3 PRO 30 1HD PRO 30 -22.169 4.189 1.280 145 H LYS 31 H LYS 31 -16.820 3.825 0.276 146 HA LYS 31 HA LYS 31 -16.618 0.924 -0.116 147 HB2 LYS 31 1HB LYS 31 -15.045 3.091 -1.489 148 HB3 LYS 31 2HB LYS 31 -15.159 1.406 -1.964 149 HG2 LYS 31 1HG LYS 31 -17.471 3.327 -1.968 150 HG3 LYS 31 2HG LYS 31 -16.470 2.966 -3.374 151 HD2 LYS 31 1HD LYS 31 -17.126 0.625 -3.258 152 HD3 LYS 31 2HD LYS 31 -18.085 0.953 -1.814 153 HE2 LYS 31 1HE LYS 31 -19.487 0.852 -3.813 154 HE3 LYS 31 2HE LYS 31 -19.514 2.456 -3.081 155 HZ1 LYS 31 3HZ LYS 31 -18.020 1.620 -5.502 156 HZ2 LYS 31 1HZ LYS 31 -17.813 3.121 -4.748 157 HZ3 LYS 31 2HZ LYS 31 -19.314 2.711 -5.421 158 H SER 32 H SER 32 -15.637 3.010 2.098 159 HA SER 32 HA SER 32 -12.807 2.702 2.115 160 HB2 SER 32 1HB SER 32 -13.975 4.624 3.155 161 HB3 SER 32 2HB SER 32 -14.654 3.541 4.366 162 HG SER 32 HG SER 32 -12.890 3.876 5.436 163 H CYS 33 H CYS 33 -11.751 1.854 4.178 164 HA CYS 33 HA CYS 33 -12.730 -0.890 4.576 165 HB2 CYS 33 2HB CYS 33 -9.929 0.214 4.907 166 HB3 CYS 33 1HB CYS 33 -10.399 -1.476 5.027 167 H SER 34 H SER 34 -12.674 -1.798 6.676 168 HA SER 34 HA SER 34 -13.053 0.142 8.791 169 HB2 SER 34 1HB SER 34 -13.647 -1.929 10.128 170 HB3 SER 34 2HB SER 34 -14.660 -1.622 8.718 171 HG SER 34 HG SER 34 -14.163 -3.647 8.336 172 H SER 35 H SER 35 -10.524 -1.705 7.559 173 HA SER 35 HA SER 35 -9.026 -1.706 10.066 174 HB2 SER 35 1HB SER 35 -8.977 -3.697 8.531 175 HB3 SER 35 2HB SER 35 -8.160 -2.696 7.335 176 HG SER 35 HG SER 35 -6.365 -2.692 8.516 177 H GLY 36 H GLY 36 -9.832 0.712 8.447 178 HA2 GLY 36 1HA GLY 36 -8.214 2.650 8.893 179 HA3 GLY 36 2HA GLY 36 -7.174 1.776 7.775 180 HA PRO 37 HA PRO 37 -10.552 4.452 5.634 181 HB2 PRO 37 2HB PRO 37 -9.330 6.839 5.349 182 HB3 PRO 37 1HB PRO 37 -10.282 6.433 6.782 183 HG2 PRO 37 2HG PRO 37 -7.306 6.311 6.399 184 HG3 PRO 37 1HG PRO 37 -8.226 7.014 7.746 185 HD2 PRO 37 2HD PRO 37 -7.134 4.564 7.906 186 HD3 PRO 37 1HD PRO 37 -8.689 4.958 8.670 187 H VAL 38 H VAL 38 -9.671 6.241 3.704 188 HA VAL 38 HA VAL 38 -8.527 4.409 1.798 189 HB VAL 38 HB VAL 38 -9.322 7.306 1.413 190 HG11 VAL 38 1HG1 VAL 38 -7.886 6.511 -0.365 191 HG12 VAL 38 2HG1 VAL 38 -9.541 6.675 -0.956 192 HG13 VAL 38 3HG1 VAL 38 -8.893 5.080 -0.569 193 HG21 VAL 38 3HG2 VAL 38 -11.431 6.449 0.586 194 HG22 VAL 38 1HG2 VAL 38 -11.166 5.945 2.256 195 HG23 VAL 38 2HG2 VAL 38 -10.909 4.802 0.937 196 H TYR 39 H TYR 39 -6.729 5.068 0.390 197 HA TYR 39 HA TYR 39 -4.861 6.972 1.606 198 HB2 TYR 39 2HB TYR 39 -4.170 4.175 0.719 199 HB3 TYR 39 1HB TYR 39 -2.990 5.406 1.125 200 HD1 TYR 39 2HD TYR 39 -5.576 3.176 2.467 201 HD2 TYR 39 1HD TYR 39 -2.525 5.984 3.411 202 HE1 TYR 39 2HE TYR 39 -5.679 2.483 4.821 203 HE2 TYR 39 1HE TYR 39 -2.622 5.301 5.773 204 HH TYR 39 HH TYR 39 -4.122 4.232 7.324 205 H CYS 40 H CYS 40 -3.846 8.234 0.157 206 HA CYS 40 HA CYS 40 -4.320 7.609 -2.656 207 HB2 CYS 40 2HB CYS 40 -4.034 9.927 -3.132 208 HB3 CYS 40 1HB CYS 40 -5.182 9.758 -1.834 209 H CYS 41 H CYS 41 -2.737 6.443 -3.409 210 HA CYS 41 HA CYS 41 0.026 7.034 -2.607 211 HB2 CYS 41 2HB CYS 41 -0.978 4.653 -4.176 212 HB3 CYS 41 1HB CYS 41 0.570 4.819 -3.355 213 H ASN 42 H ASN 42 1.376 7.943 -3.984 214 HA ASN 42 HA ASN 42 0.536 9.138 -6.367 215 HB2 ASN 42 1HB ASN 42 3.287 8.495 -5.310 216 HB3 ASN 42 2HB ASN 42 3.027 9.414 -6.789 217 HD21 ASN 42 2HD2 ASN 42 2.857 9.439 -3.330 218 HD22 ASN 42 1HD2 ASN 42 2.530 11.127 -3.161 219 H LYS 43 H LYS 43 1.691 6.025 -5.683 220 HA LYS 43 HA LYS 43 0.972 4.994 -8.242 221 HB2 LYS 43 1HB LYS 43 3.832 5.211 -7.409 222 HB3 LYS 43 2HB LYS 43 3.333 3.774 -8.264 223 HG2 LYS 43 1HG LYS 43 2.905 6.536 -9.357 224 HG3 LYS 43 2HG LYS 43 4.404 5.642 -9.601 225 HD2 LYS 43 1HD LYS 43 3.319 4.962 -11.474 226 HD3 LYS 43 2HD LYS 43 2.658 3.764 -10.358 227 HE2 LYS 43 1HE LYS 43 0.863 4.711 -11.641 228 HE3 LYS 43 2HE LYS 43 0.742 5.249 -9.967 229 HZ1 LYS 43 3HZ LYS 43 1.631 7.363 -10.552 230 HZ2 LYS 43 1HZ LYS 43 0.359 7.028 -11.611 231 HZ3 LYS 43 2HZ LYS 43 1.958 6.866 -12.132 232 H THR 44 H THR 44 -0.045 3.068 -7.711 233 HA THR 44 HA THR 44 0.823 1.739 -5.279 234 HB THR 44 HB THR 44 -0.817 -0.040 -5.971 235 HG1 THR 44 1HG THR 44 -2.176 1.633 -7.660 236 HG21 THR 44 3HG2 THR 44 -1.806 2.786 -5.610 237 HG22 THR 44 1HG2 THR 44 -1.358 1.649 -4.338 238 HG23 THR 44 2HG2 THR 44 -2.761 1.326 -5.352 239 H GLU 45 H GLU 45 1.542 -0.430 -5.260 240 HA GLU 45 HA GLU 45 3.013 -1.126 -7.711 241 HB2 GLU 45 1HB GLU 45 4.407 -0.289 -5.726 242 HB3 GLU 45 2HB GLU 45 3.988 -1.804 -4.939 243 HG2 GLU 45 1HG GLU 45 6.122 -2.031 -5.997 244 HG3 GLU 45 2HG GLU 45 4.946 -3.018 -6.859 245 H ASP 46 H ASP 46 2.828 -3.132 -8.412 246 HA ASP 46 HA ASP 46 0.699 -4.738 -7.410 247 HB2 ASP 46 1HB ASP 46 2.796 -5.301 -9.514 248 HB3 ASP 46 2HB ASP 46 1.422 -6.350 -9.180 249 H SER 47 H SER 47 0.845 -5.895 -5.653 250 HA SER 47 HA SER 47 3.122 -6.493 -4.220 251 HB2 SER 47 1HB SER 47 1.742 -8.150 -3.011 252 HB3 SER 47 2HB SER 47 0.894 -6.622 -3.252 253 HG SER 47 HG SER 47 -0.409 -7.546 -4.720 254 H LYS 48 H LYS 48 1.783 -8.230 -6.922 255 HA LYS 48 HA LYS 48 3.438 -10.566 -6.430 256 HB2 LYS 48 1HB LYS 48 1.644 -9.952 -8.776 257 HB3 LYS 48 2HB LYS 48 2.358 -11.511 -8.395 258 HG2 LYS 48 1HG LYS 48 0.391 -10.045 -6.665 259 HG3 LYS 48 2HG LYS 48 -0.019 -11.336 -7.788 260 HD2 LYS 48 1HD LYS 48 1.931 -11.662 -5.514 261 HD3 LYS 48 2HD LYS 48 0.210 -12.007 -5.367 262 HE2 LYS 48 1HE LYS 48 1.013 -14.092 -5.859 263 HE3 LYS 48 2HE LYS 48 0.648 -13.502 -7.476 264 HZ1 LYS 48 3HZ LYS 48 2.946 -13.001 -7.825 265 HZ2 LYS 48 1HZ LYS 48 2.831 -14.595 -7.280 266 HZ3 LYS 48 2HZ LYS 48 3.336 -13.376 -6.223 267 H HIS 49 H HIS 49 3.850 -7.586 -7.908 268 HA HIS 49 HA HIS 49 6.044 -8.622 -9.581 269 HB2 HIS 49 1HB HIS 49 4.012 -6.505 -10.249 270 HB3 HIS 49 2HB HIS 49 5.554 -6.606 -11.070 271 HD1 HIS 49 HD1 HIS 49 5.764 -8.292 -12.935 272 HD2 HIS 49 HD2 HIS 49 2.257 -8.722 -10.743 273 HE1 HIS 49 HE1 HIS 49 4.352 -9.924 -14.227 274 HE2 HIS 49 HE2 HIS 49 2.166 -10.023 -12.975 275 H LEU 50 H LEU 50 6.173 -7.647 -6.881 276 HA LEU 50 HA LEU 50 6.977 -4.957 -6.752 277 HB2 LEU 50 1HB LEU 50 7.639 -7.284 -4.965 278 HB3 LEU 50 2HB LEU 50 7.939 -5.612 -4.583 279 HG LEU 50 HG LEU 50 5.220 -6.837 -4.998 280 HD11 LEU 50 1HD1 LEU 50 6.237 -7.574 -2.935 281 HD12 LEU 50 2HD1 LEU 50 4.937 -6.428 -2.606 282 HD13 LEU 50 3HD1 LEU 50 6.619 -5.908 -2.506 283 HD21 LEU 50 3HD2 LEU 50 5.238 -4.560 -5.730 284 HD22 LEU 50 1HD2 LEU 50 6.071 -4.044 -4.266 285 HD23 LEU 50 2HD2 LEU 50 4.417 -4.651 -4.173 286 H ASP 51 H ASP 51 8.955 -4.021 -6.720 287 HA ASP 51 HA ASP 51 11.112 -5.472 -8.028 288 HB2 ASP 51 1HB ASP 51 10.805 -2.596 -7.174 289 HB3 ASP 51 2HB ASP 51 12.295 -3.230 -7.853 290 H LYS 52 H LYS 52 13.393 -5.090 -7.080 291 HA LYS 52 HA LYS 52 13.472 -6.253 -4.518 292 HB2 LYS 52 1HB LYS 52 15.601 -4.889 -6.154 293 HB3 LYS 52 2HB LYS 52 15.919 -5.602 -4.581 294 HG2 LYS 52 1HG LYS 52 14.768 -7.133 -6.903 295 HG3 LYS 52 2HG LYS 52 16.491 -7.050 -6.537 296 HD2 LYS 52 1HD LYS 52 14.390 -8.047 -4.614 297 HD3 LYS 52 2HD LYS 52 15.359 -9.090 -5.654 298 HE2 LYS 52 1HE LYS 52 17.390 -8.338 -4.576 299 HE3 LYS 52 2HE LYS 52 16.482 -7.185 -3.602 300 HZ1 LYS 52 3HZ LYS 52 16.228 -10.142 -3.472 301 HZ2 LYS 52 1HZ LYS 52 15.337 -9.038 -2.550 302 HZ3 LYS 52 2HZ LYS 52 17.008 -9.162 -2.337 303 H GLY 53 H GLY 53 13.887 -2.921 -5.610 304 HA2 GLY 53 1HA GLY 53 14.736 -1.754 -3.242 305 HA3 GLY 53 2HA GLY 53 13.799 -0.934 -4.479 306 H THR 54 H THR 54 11.416 -2.405 -4.302 307 HA THR 54 HA THR 54 10.336 -1.210 -1.910 308 HB THR 54 HB THR 54 8.930 -2.757 -4.097 309 HG1 THR 54 1HG THR 54 8.955 -0.911 -5.127 310 HG21 THR 54 3HG2 THR 54 7.794 -1.046 -1.875 311 HG22 THR 54 1HG2 THR 54 7.663 -2.804 -1.994 312 HG23 THR 54 2HG2 THR 54 6.865 -1.776 -3.192 313 H THR 55 H THR 55 10.660 -4.492 -3.220 314 HA THR 55 HA THR 55 9.536 -5.939 -1.143 315 HB THR 55 HB THR 55 11.967 -6.600 -2.820 316 HG1 THR 55 1HG THR 55 10.304 -6.504 -4.206 317 HG21 THR 55 3HG2 THR 55 11.933 -7.995 -0.841 318 HG22 THR 55 1HG2 THR 55 11.488 -8.948 -2.257 319 HG23 THR 55 2HG2 THR 55 10.242 -8.410 -1.131 320 H ALA 56 H ALA 56 12.648 -4.373 -1.411 321 HA ALA 56 HA ALA 56 13.944 -5.328 0.846 322 HB1 ALA 56 3HB ALA 56 15.202 -3.201 0.781 323 HB2 ALA 56 1HB ALA 56 14.043 -2.587 -0.400 324 HB3 ALA 56 2HB ALA 56 15.064 -3.968 -0.802 325 H LEU 57 H LEU 57 11.918 -2.380 0.600 326 HA LEU 57 HA LEU 57 12.107 -1.605 3.279 327 HB2 LEU 57 1HB LEU 57 9.729 -1.261 1.457 328 HB3 LEU 57 2HB LEU 57 9.971 -0.422 2.972 329 HG LEU 57 HG LEU 57 10.841 1.229 1.785 330 HD11 LEU 57 1HD1 LEU 57 12.932 0.167 2.594 331 HD12 LEU 57 2HD1 LEU 57 13.135 1.099 1.108 332 HD13 LEU 57 3HD1 LEU 57 13.056 -0.662 1.040 333 HD21 LEU 57 3HD2 LEU 57 11.350 -0.532 -0.574 334 HD22 LEU 57 1HD2 LEU 57 11.037 1.202 -0.548 335 HD23 LEU 57 2HD2 LEU 57 9.734 0.059 -0.184 336 H LEU 58 H LEU 58 9.738 -3.605 1.651 337 HA LEU 58 HA LEU 58 8.084 -4.155 3.823 338 HB2 LEU 58 1HB LEU 58 8.751 -6.070 1.606 339 HB3 LEU 58 2HB LEU 58 7.262 -5.989 2.532 340 HG LEU 58 HG LEU 58 8.216 -3.872 0.593 341 HD11 LEU 58 1HD1 LEU 58 7.564 -5.915 -0.533 342 HD12 LEU 58 2HD1 LEU 58 6.362 -4.650 -0.795 343 HD13 LEU 58 3HD1 LEU 58 6.046 -5.944 0.366 344 HD21 LEU 58 3HD2 LEU 58 5.997 -2.907 0.885 345 HD22 LEU 58 1HD2 LEU 58 6.871 -2.950 2.418 346 HD23 LEU 58 2HD2 LEU 58 5.607 -4.137 2.090 347 H GLY 59 H GLY 59 10.945 -5.859 2.626 348 HA2 GLY 59 1HA GLY 59 10.995 -7.885 4.559 349 HA3 GLY 59 2HA GLY 59 12.390 -7.290 3.680 350 H LEU 60 H LEU 60 12.261 -4.587 4.630 351 HA LEU 60 HA LEU 60 13.749 -4.775 7.022 352 HB2 LEU 60 1HB LEU 60 12.233 -2.339 6.072 353 HB3 LEU 60 2HB LEU 60 13.640 -2.368 7.119 354 HG LEU 60 HG LEU 60 13.526 -2.884 4.155 355 HD11 LEU 60 1HD1 LEU 60 13.643 -0.563 4.861 356 HD12 LEU 60 2HD1 LEU 60 15.142 -1.069 4.081 357 HD13 LEU 60 3HD1 LEU 60 15.069 -0.922 5.837 358 HD21 LEU 60 3HD2 LEU 60 15.844 -3.350 6.024 359 HD22 LEU 60 1HD2 LEU 60 15.900 -3.434 4.263 360 HD23 LEU 60 2HD2 LEU 60 14.931 -4.595 5.173 361 H LEU 61 H LEU 61 10.435 -3.946 6.338 362 HA LEU 61 HA LEU 61 9.797 -3.446 9.124 363 HB2 LEU 61 1HB LEU 61 8.029 -3.439 6.682 364 HB3 LEU 61 2HB LEU 61 7.621 -2.789 8.260 365 HG LEU 61 HG LEU 61 10.037 -1.709 6.893 366 HD11 LEU 61 1HD1 LEU 61 8.676 -0.100 5.671 367 HD12 LEU 61 2HD1 LEU 61 7.217 -0.952 6.175 368 HD13 LEU 61 3HD1 LEU 61 8.384 -1.748 5.118 369 HD21 LEU 61 3HD2 LEU 61 7.862 -0.499 8.588 370 HD22 LEU 61 1HD2 LEU 61 9.280 0.354 7.977 371 HD23 LEU 61 2HD2 LEU 61 9.473 -0.965 9.135 372 H ASN 62 H ASN 62 10.105 -6.151 7.324 373 HA ASN 62 HA ASN 62 9.681 -8.329 7.778 374 HB2 ASN 62 1HB ASN 62 8.428 -7.180 10.259 375 HB3 ASN 62 2HB ASN 62 8.476 -8.908 9.936 376 HD21 ASN 62 2HD2 ASN 62 9.684 -7.379 12.088 377 HD22 ASN 62 1HD2 ASN 62 11.380 -7.704 12.013 378 H ILE 63 H ILE 63 7.877 -6.598 6.246 379 HA ILE 63 HA ILE 63 5.220 -7.629 6.653 380 HB ILE 63 HB ILE 63 6.406 -6.089 4.333 381 HG12 ILE 63 1HG1 ILE 63 4.556 -5.057 6.472 382 HG13 ILE 63 2HG1 ILE 63 6.303 -5.060 6.693 383 HG21 ILE 63 1HG2 ILE 63 4.104 -5.620 3.687 384 HG22 ILE 63 2HG2 ILE 63 3.513 -6.627 5.006 385 HG23 ILE 63 3HG2 ILE 63 4.412 -7.357 3.677 386 HD11 ILE 63 3HD1 ILE 63 6.604 -3.618 4.842 387 HD12 ILE 63 1HD1 ILE 63 5.375 -2.917 5.889 388 HD13 ILE 63 2HD1 ILE 63 4.900 -3.739 4.397 389 H LYS 64 H LYS 64 4.179 -9.165 5.462 390 HA LYS 64 HA LYS 64 5.908 -11.073 4.109 391 HB2 LYS 64 1HB LYS 64 3.004 -11.227 4.932 392 HB3 LYS 64 2HB LYS 64 3.873 -12.525 4.135 393 HG2 LYS 64 1HG LYS 64 3.833 -13.074 6.410 394 HG3 LYS 64 2HG LYS 64 5.466 -12.489 6.102 395 HD2 LYS 64 1HD LYS 64 4.839 -10.302 7.028 396 HD3 LYS 64 2HD LYS 64 3.210 -10.907 7.336 397 HE2 LYS 64 1HE LYS 64 5.737 -12.034 8.534 398 HE3 LYS 64 2HE LYS 64 4.640 -10.921 9.350 399 HZ1 LYS 64 3HZ LYS 64 2.879 -12.600 9.099 400 HZ2 LYS 64 1HZ LYS 64 4.178 -13.164 10.024 401 HZ3 LYS 64 2HZ LYS 64 4.000 -13.667 8.421 402 H ILE 65 H ILE 65 6.162 -10.972 2.003 403 HA ILE 65 HA ILE 65 4.537 -9.335 0.325 404 HB ILE 65 HB ILE 65 6.821 -11.216 -0.261 405 HG12 ILE 65 1HG1 ILE 65 7.950 -9.122 -0.971 406 HG13 ILE 65 2HG1 ILE 65 6.520 -8.217 -0.506 407 HG21 ILE 65 1HG2 ILE 65 6.767 -10.579 -2.576 408 HG22 ILE 65 2HG2 ILE 65 5.406 -9.498 -2.286 409 HG23 ILE 65 3HG2 ILE 65 5.191 -11.243 -2.142 410 HD11 ILE 65 3HD1 ILE 65 8.293 -8.054 1.160 411 HD12 ILE 65 1HD1 ILE 65 8.276 -9.807 1.354 412 HD13 ILE 65 2HD1 ILE 65 6.865 -8.855 1.817 413 H GLY 66 H GLY 66 4.842 -12.765 0.973 414 HA2 GLY 66 1HA GLY 66 3.100 -13.594 -1.149 415 HA3 GLY 66 2HA GLY 66 3.676 -14.593 0.177 416 H ASP 67 H ASP 67 2.527 -12.163 1.851 417 HA ASP 67 HA ASP 67 -0.156 -13.337 2.039 418 HB2 ASP 67 1HB ASP 67 1.209 -13.307 4.103 419 HB3 ASP 67 2HB ASP 67 1.296 -11.552 4.003 420 H LEU 68 H LEU 68 1.419 -10.682 0.766 421 HA LEU 68 HA LEU 68 -0.283 -8.543 1.279 422 HB2 LEU 68 1HB LEU 68 1.345 -9.216 -1.164 423 HB3 LEU 68 2HB LEU 68 0.502 -7.691 -0.962 424 HG LEU 68 HG LEU 68 2.657 -8.720 0.885 425 HD11 LEU 68 1HD1 LEU 68 3.557 -8.166 -1.311 426 HD12 LEU 68 2HD1 LEU 68 4.061 -6.987 -0.100 427 HD13 LEU 68 3HD1 LEU 68 2.776 -6.587 -1.240 428 HD21 LEU 68 3HD2 LEU 68 1.036 -7.273 1.987 429 HD22 LEU 68 1HD2 LEU 68 1.262 -6.052 0.736 430 HD23 LEU 68 2HD2 LEU 68 2.596 -6.464 1.818 431 H LYS 69 H LYS 69 -2.144 -7.819 0.437 432 HA LYS 69 HA LYS 69 -3.844 -9.949 -0.494 433 HB2 LYS 69 1HB LYS 69 -4.441 -7.147 0.440 434 HB3 LYS 69 2HB LYS 69 -5.679 -8.253 -0.126 435 HG2 LYS 69 1HG LYS 69 -5.726 -8.400 2.211 436 HG3 LYS 69 2HG LYS 69 -4.885 -9.849 1.666 437 HD2 LYS 69 1HD LYS 69 -2.728 -8.724 2.139 438 HD3 LYS 69 2HD LYS 69 -3.622 -7.343 2.775 439 HE2 LYS 69 1HE LYS 69 -2.939 -8.694 4.626 440 HE3 LYS 69 2HE LYS 69 -4.680 -8.884 4.432 441 HZ1 LYS 69 3HZ LYS 69 -3.593 -11.000 4.838 442 HZ2 LYS 69 1HZ LYS 69 -2.611 -10.795 3.475 443 HZ3 LYS 69 2HZ LYS 69 -4.285 -10.983 3.295 444 H ASP 70 H ASP 70 -3.088 -6.648 -1.674 445 HA ASP 70 HA ASP 70 -3.808 -7.589 -4.353 446 HB2 ASP 70 1HB ASP 70 -5.610 -6.095 -2.964 447 HB3 ASP 70 2HB ASP 70 -4.692 -4.835 -3.760 448 H LEU 71 H LEU 71 -3.217 -4.287 -3.266 449 HA LEU 71 HA LEU 71 -0.678 -4.321 -4.759 450 HB2 LEU 71 1HB LEU 71 -2.599 -2.070 -4.191 451 HB3 LEU 71 2HB LEU 71 -0.973 -1.818 -4.773 452 HG LEU 71 HG LEU 71 -2.118 -1.650 -6.714 453 HD11 LEU 71 1HD1 LEU 71 -1.691 -4.613 -6.503 454 HD12 LEU 71 2HD1 LEU 71 -0.541 -3.399 -7.071 455 HD13 LEU 71 3HD1 LEU 71 -2.001 -3.734 -8.000 456 HD21 LEU 71 3HD2 LEU 71 -4.173 -2.781 -7.274 457 HD22 LEU 71 1HD2 LEU 71 -4.305 -2.015 -5.691 458 HD23 LEU 71 2HD2 LEU 71 -4.062 -3.760 -5.810 459 H VAL 72 H VAL 72 0.866 -2.676 -3.990 460 HA VAL 72 HA VAL 72 0.557 -1.968 -1.151 461 HB VAL 72 HB VAL 72 2.667 -2.531 -0.632 462 HG11 VAL 72 1HG1 VAL 72 3.755 -4.250 -1.988 463 HG12 VAL 72 2HG1 VAL 72 2.647 -3.891 -3.313 464 HG13 VAL 72 3HG1 VAL 72 2.024 -4.541 -1.797 465 HG21 VAL 72 3HG2 VAL 72 3.767 -0.695 -1.566 466 HG22 VAL 72 1HG2 VAL 72 3.481 -1.253 -3.218 467 HG23 VAL 72 2HG2 VAL 72 4.639 -2.098 -2.192 468 H GLY 73 H GLY 73 1.732 0.210 -0.743 469 HA2 GLY 73 1HA GLY 73 1.651 1.859 -3.169 470 HA3 GLY 73 2HA GLY 73 0.699 2.337 -1.779 471 H LEU 74 H LEU 74 3.370 3.173 -3.342 472 HA LEU 74 HA LEU 74 4.959 3.484 -0.911 473 HB2 LEU 74 1HB LEU 74 6.902 3.737 -2.169 474 HB3 LEU 74 2HB LEU 74 6.029 2.455 -2.962 475 HG LEU 74 HG LEU 74 7.011 3.714 -4.668 476 HD11 LEU 74 1HD1 LEU 74 4.156 4.619 -4.462 477 HD12 LEU 74 2HD1 LEU 74 4.752 3.134 -5.211 478 HD13 LEU 74 3HD1 LEU 74 5.157 4.701 -5.913 479 HD21 LEU 74 3HD2 LEU 74 5.976 6.228 -3.362 480 HD22 LEU 74 1HD2 LEU 74 6.825 6.148 -4.905 481 HD23 LEU 74 2HD2 LEU 74 7.650 5.685 -3.418 482 H ASN 75 H ASN 75 5.514 5.388 -0.096 483 HA ASN 75 HA ASN 75 5.218 7.565 0.500 484 HB2 ASN 75 1HB ASN 75 6.655 7.505 -1.713 485 HB3 ASN 75 2HB ASN 75 5.255 8.338 -2.383 486 HD21 ASN 75 2HD2 ASN 75 7.777 8.449 0.033 487 HD22 ASN 75 1HD2 ASN 75 7.754 10.165 0.226 488 H CYS 76 H CYS 76 2.984 6.502 0.785 489 HA CYS 76 HA CYS 76 0.902 7.704 -0.906 490 HB2 CYS 76 2HB CYS 76 1.137 5.210 -0.661 491 HB3 CYS 76 1HB CYS 76 0.725 5.391 1.035 492 H SER 77 H SER 77 -0.868 8.757 0.056 493 HA SER 77 HA SER 77 -0.277 9.702 2.785 494 HB2 SER 77 1HB SER 77 -2.104 10.946 0.719 495 HB3 SER 77 2HB SER 77 -1.640 11.651 2.267 496 HG SER 77 HG SER 77 -0.299 11.618 -0.112 497 HA PRO 78 HA PRO 78 -3.973 7.552 4.089 498 HB2 PRO 78 2HB PRO 78 -3.892 8.957 6.612 499 HB3 PRO 78 1HB PRO 78 -3.446 7.284 6.275 500 HG2 PRO 78 2HG PRO 78 -1.654 9.224 6.990 501 HG3 PRO 78 1HG PRO 78 -1.232 7.790 6.041 502 HD2 PRO 78 2HD PRO 78 -1.767 10.588 5.115 503 HD3 PRO 78 1HD PRO 78 -0.528 9.435 4.574 504 H LEU 79 H LEU 79 -5.911 8.111 3.397 505 HA LEU 79 HA LEU 79 -6.871 10.855 3.714 506 HB2 LEU 79 1HB LEU 79 -7.778 8.500 2.059 507 HB3 LEU 79 2HB LEU 79 -8.749 9.949 2.219 508 HG LEU 79 HG LEU 79 -7.070 11.257 1.078 509 HD11 LEU 79 1HD1 LEU 79 -5.036 10.311 0.190 510 HD12 LEU 79 2HD1 LEU 79 -5.399 8.782 0.993 511 HD13 LEU 79 3HD1 LEU 79 -5.073 10.224 1.952 512 HD21 LEU 79 3HD2 LEU 79 -8.623 10.074 -0.347 513 HD22 LEU 79 1HD2 LEU 79 -7.575 8.653 -0.331 514 HD23 LEU 79 2HD2 LEU 79 -7.030 10.137 -1.107 515 H SER 80 H SER 80 -7.379 10.805 5.920 516 HA SER 80 HA SER 80 -8.922 8.660 7.046 517 HB2 SER 80 1HB SER 80 -8.878 10.157 9.087 518 HB3 SER 80 2HB SER 80 -7.296 9.704 8.454 519 HG SER 80 HG SER 80 -7.062 11.826 8.631 520 H VAL 81 H VAL 81 -9.536 11.918 5.897 521 HA VAL 81 HA VAL 81 -12.365 11.619 6.600 522 HB VAL 81 HB VAL 81 -12.567 14.048 6.031 523 HG11 VAL 81 1HG1 VAL 81 -10.566 13.338 8.171 524 HG12 VAL 81 2HG1 VAL 81 -12.322 13.337 8.336 525 HG13 VAL 81 3HG1 VAL 81 -11.462 14.853 8.072 526 HG21 VAL 81 3HG2 VAL 81 -10.638 14.250 4.544 527 HG22 VAL 81 1HG2 VAL 81 -9.552 13.936 5.901 528 HG23 VAL 81 2HG2 VAL 81 -10.533 15.402 5.877 529 H ILE 82 H ILE 82 -13.789 11.116 5.090 530 HA ILE 82 HA ILE 82 -12.962 10.954 2.333 531 HB ILE 82 HB ILE 82 -15.645 10.347 3.544 532 HG12 ILE 82 1HG1 ILE 82 -13.913 8.968 4.547 533 HG13 ILE 82 2HG1 ILE 82 -14.886 8.001 3.455 534 HG21 ILE 82 1HG2 ILE 82 -15.709 10.747 1.121 535 HG22 ILE 82 2HG2 ILE 82 -16.045 9.060 1.516 536 HG23 ILE 82 3HG2 ILE 82 -14.460 9.521 0.896 537 HD11 ILE 82 3HD1 ILE 82 -12.555 7.430 3.231 538 HD12 ILE 82 1HD1 ILE 82 -12.152 9.112 2.882 539 HD13 ILE 82 2HD1 ILE 82 -13.137 8.186 1.747 540 H GLY 83 H GLY 83 -13.651 12.216 0.675 541 HA2 GLY 83 1HA GLY 83 -15.208 13.853 -0.228 542 HA3 GLY 83 2HA GLY 83 -15.316 14.543 1.387 543 H VAL 84 H VAL 84 -13.904 16.089 1.984 544 HA VAL 84 HA VAL 84 -12.280 17.362 0.073 545 HB VAL 84 HB VAL 84 -11.295 18.568 2.105 546 HG11 VAL 84 1HG1 VAL 84 -13.332 19.878 2.445 547 HG12 VAL 84 2HG1 VAL 84 -14.282 18.597 1.692 548 HG13 VAL 84 3HG1 VAL 84 -13.094 19.489 0.742 549 HG21 VAL 84 3HG2 VAL 84 -13.469 17.012 3.509 550 HG22 VAL 84 1HG2 VAL 84 -12.539 18.340 4.202 551 HG23 VAL 84 2HG2 VAL 84 -11.734 16.833 3.769 552 H GLY 85 H GLY 85 -10.618 16.328 -0.830 553 HA2 GLY 85 1HA GLY 85 -8.496 15.425 -0.988 554 HA3 GLY 85 2HA GLY 85 -8.336 15.604 0.755 555 H GLY 86 H GLY 86 -11.123 13.975 -0.371 556 HA2 GLY 86 1HA GLY 86 -9.936 11.410 0.484 557 HA3 GLY 86 2HA GLY 86 -11.637 11.827 0.641 558 H ASN 87 H ASN 87 -12.099 12.889 -1.902 559 HA ASN 87 HA ASN 87 -12.111 10.422 -3.455 560 HB2 ASN 87 1HB ASN 87 -13.748 11.530 -4.883 561 HB3 ASN 87 2HB ASN 87 -14.224 11.668 -3.195 562 HD21 ASN 87 2HD2 ASN 87 -14.855 13.263 -5.605 563 HD22 ASN 87 1HD2 ASN 87 -14.467 14.901 -5.172 564 H SER 88 H SER 88 -10.560 13.464 -3.334 565 HA SER 88 HA SER 88 -8.916 12.689 -5.613 566 HB2 SER 88 1HB SER 88 -8.868 15.152 -6.290 567 HB3 SER 88 2HB SER 88 -10.364 14.286 -6.635 568 HG SER 88 HG SER 88 -10.935 16.200 -5.691 569 H CYS 89 H CYS 89 -6.931 12.483 -4.830 570 HA CYS 89 HA CYS 89 -6.094 14.289 -2.659 571 HB2 CYS 89 2HB CYS 89 -6.612 11.935 -1.936 572 HB3 CYS 89 1HB CYS 89 -5.296 11.398 -2.966 573 H SER 90 H SER 90 -5.705 14.235 -5.653 574 HA SER 90 HA SER 90 -4.105 14.803 -7.154 575 HB2 SER 90 1HB SER 90 -2.266 15.154 -4.777 576 HB3 SER 90 2HB SER 90 -2.085 15.876 -6.376 577 HG SER 90 HG SER 90 -4.493 16.525 -5.519 578 H ALA 91 H ALA 91 -4.023 12.082 -5.390 579 HA ALA 91 HA ALA 91 -2.007 10.876 -7.137 580 HB1 ALA 91 3HB ALA 91 -2.113 10.453 -4.149 581 HB2 ALA 91 1HB ALA 91 -0.835 11.272 -5.045 582 HB3 ALA 91 2HB ALA 91 -1.101 9.545 -5.273 583 H GLN 92 H GLN 92 -2.155 8.352 -6.777 584 HA GLN 92 HA GLN 92 -4.794 7.735 -7.640 585 HB2 GLN 92 1HB GLN 92 -3.591 6.234 -8.767 586 HB3 GLN 92 2HB GLN 92 -2.175 6.580 -7.784 587 HG2 GLN 92 1HG GLN 92 -2.671 4.869 -6.278 588 HG3 GLN 92 2HG GLN 92 -4.311 4.685 -6.882 589 HE21 GLN 92 2HE2 GLN 92 -1.548 5.084 -8.970 590 HE22 GLN 92 1HE2 GLN 92 -1.574 3.479 -9.616 591 H THR 93 H THR 93 -6.439 6.769 -6.577 592 HA THR 93 HA THR 93 -6.103 6.637 -3.689 593 HB THR 93 HB THR 93 -8.830 6.386 -4.358 594 HG1 THR 93 1HG THR 93 -9.022 7.485 -6.151 595 HG21 THR 93 3HG2 THR 93 -8.951 8.635 -3.329 596 HG22 THR 93 1HG2 THR 93 -7.189 8.731 -3.388 597 HG23 THR 93 2HG2 THR 93 -7.975 7.503 -2.391 598 H VAL 94 H VAL 94 -5.906 4.794 -2.737 599 HA VAL 94 HA VAL 94 -7.553 2.517 -3.596 600 HB VAL 94 HB VAL 94 -5.669 1.006 -2.818 601 HG11 VAL 94 1HG1 VAL 94 -4.521 1.025 -4.949 602 HG12 VAL 94 2HG1 VAL 94 -5.143 2.639 -5.295 603 HG13 VAL 94 3HG1 VAL 94 -6.248 1.270 -5.181 604 HG21 VAL 94 3HG2 VAL 94 -4.090 3.556 -3.125 605 HG22 VAL 94 1HG2 VAL 94 -3.386 1.947 -2.980 606 HG23 VAL 94 2HG2 VAL 94 -4.318 2.624 -1.646 607 H CYS 95 H CYS 95 -7.704 0.868 -1.801 608 HA CYS 95 HA CYS 95 -7.659 2.214 0.822 609 HB2 CYS 95 2HB CYS 95 -9.931 1.573 -0.237 610 HB3 CYS 95 1HB CYS 95 -9.477 -0.088 0.131 611 H CYS 96 H CYS 96 -6.226 1.365 2.200 612 HA CYS 96 HA CYS 96 -5.113 -1.281 1.541 613 HB2 CYS 96 2HB CYS 96 -3.727 0.978 2.985 614 HB3 CYS 96 1HB CYS 96 -2.994 -0.491 2.345 615 H THR 97 H THR 97 -4.396 -2.633 3.276 616 HA THR 97 HA THR 97 -6.401 -2.612 5.371 617 HB THR 97 HB THR 97 -5.895 -4.708 4.188 618 HG1 THR 97 1HG THR 97 -6.525 -5.521 6.029 619 HG21 THR 97 3HG2 THR 97 -3.494 -4.329 3.799 620 HG22 THR 97 1HG2 THR 97 -3.802 -5.897 4.547 621 HG23 THR 97 2HG2 THR 97 -3.189 -4.560 5.519 622 H ASN 98 H ASN 98 -3.018 -1.988 5.017 623 HA ASN 98 HA ASN 98 -2.882 -0.843 7.662 624 HB2 ASN 98 1HB ASN 98 -1.237 -3.263 6.923 625 HB3 ASN 98 2HB ASN 98 -0.676 -2.105 8.118 626 HD21 ASN 98 2HD2 ASN 98 -1.789 -1.915 10.079 627 HD22 ASN 98 1HD2 ASN 98 -2.836 -3.171 10.647 628 H THR 99 H THR 99 -0.924 0.448 7.919 629 HA THR 99 HA THR 99 0.516 0.951 5.417 630 HB THR 99 HB THR 99 -1.254 2.615 5.461 631 HG1 THR 99 1HG THR 99 0.663 3.429 4.674 632 HG21 THR 99 3HG2 THR 99 -0.189 3.381 8.180 633 HG22 THR 99 1HG2 THR 99 -1.743 2.616 7.849 634 HG23 THR 99 2HG2 THR 99 -1.428 4.255 7.280 635 H TYR 100 H TYR 100 2.630 1.721 5.686 636 HA TYR 100 HA TYR 100 3.588 1.945 8.454 637 HB2 TYR 100 2HB TYR 100 4.896 0.153 6.392 638 HB3 TYR 100 1HB TYR 100 5.434 0.409 8.048 639 HD1 TYR 100 2HD TYR 100 3.922 -0.370 9.930 640 HD2 TYR 100 1HD TYR 100 3.336 -1.528 5.878 641 HE1 TYR 100 2HE TYR 100 2.551 -2.267 10.677 642 HE2 TYR 100 1HE TYR 100 1.960 -3.428 6.615 643 HH TYR 100 HH TYR 100 0.737 -3.705 9.733 644 H GLN 101 H GLN 101 5.753 2.864 8.618 645 HA GLN 101 HA GLN 101 7.426 4.306 8.098 646 HB2 GLN 101 1HB GLN 101 6.844 3.095 5.430 647 HB3 GLN 101 2HB GLN 101 7.969 4.433 5.546 648 HG2 GLN 101 1HG GLN 101 8.223 1.897 7.130 649 HG3 GLN 101 2HG GLN 101 9.007 2.183 5.578 650 HE21 GLN 101 2HE2 GLN 101 9.331 5.035 6.245 651 HE22 GLN 101 1HE2 GLN 101 10.695 5.107 7.285 652 H HIS 102 H HIS 102 4.728 5.304 8.284 653 HA HIS 102 HA HIS 102 3.617 7.262 8.095 654 HB2 HIS 102 1HB HIS 102 6.267 8.185 6.995 655 HB3 HIS 102 2HB HIS 102 4.894 9.267 7.192 656 HD1 HIS 102 HD1 HIS 102 4.436 10.156 9.506 657 HD2 HIS 102 HD2 HIS 102 7.354 7.201 9.456 658 HE1 HIS 102 HE1 HIS 102 5.435 10.155 11.811 659 HE2 HIS 102 HE2 HIS 102 7.309 8.479 11.705 660 H GLY 103 H GLY 103 4.435 5.433 5.506 661 HA2 GLY 103 1HA GLY 103 2.413 5.570 3.926 662 HA3 GLY 103 2HA GLY 103 3.041 7.176 3.598 663 H LEU 104 H LEU 104 5.825 5.728 4.028 664 HA LEU 104 HA LEU 104 6.546 5.615 1.350 665 HB2 LEU 104 1HB LEU 104 7.854 3.966 3.503 666 HB3 LEU 104 2HB LEU 104 8.575 4.528 2.010 667 HG LEU 104 HG LEU 104 7.877 6.159 4.435 668 HD11 LEU 104 1HD1 LEU 104 9.983 4.852 4.404 669 HD12 LEU 104 2HD1 LEU 104 10.214 6.595 4.536 670 HD13 LEU 104 3HD1 LEU 104 10.483 5.785 2.993 671 HD21 LEU 104 3HD2 LEU 104 7.226 7.463 2.531 672 HD22 LEU 104 1HD2 LEU 104 8.768 7.131 1.739 673 HD23 LEU 104 2HD2 LEU 104 8.726 8.096 3.215 674 H VAL 105 H VAL 105 5.394 3.044 3.465 675 HA VAL 105 HA VAL 105 4.863 1.446 1.042 676 HB VAL 105 HB VAL 105 5.129 -0.602 2.498 677 HG11 VAL 105 1HG1 VAL 105 6.817 0.031 0.847 678 HG12 VAL 105 2HG1 VAL 105 7.575 -0.658 2.286 679 HG13 VAL 105 3HG1 VAL 105 7.590 1.089 2.030 680 HG21 VAL 105 3HG2 VAL 105 6.352 -0.460 4.526 681 HG22 VAL 105 1HG2 VAL 105 5.009 0.675 4.626 682 HG23 VAL 105 2HG2 VAL 105 6.639 1.266 4.301 683 H ASN 106 H ASN 106 2.973 0.303 1.032 684 HA ASN 106 HA ASN 106 1.116 0.582 3.272 685 HB2 ASN 106 1HB ASN 106 1.024 2.339 1.166 686 HB3 ASN 106 2HB ASN 106 -0.080 1.081 0.616 687 HD21 ASN 106 2HD2 ASN 106 -0.734 3.757 1.251 688 HD22 ASN 106 1HD2 ASN 106 -1.843 3.722 2.574 689 H VAL 107 H VAL 107 -0.423 -1.171 3.299 690 HA VAL 107 HA VAL 107 0.225 -3.242 1.295 691 HB VAL 107 HB VAL 107 -0.092 -4.954 3.075 692 HG11 VAL 107 1HG1 VAL 107 2.140 -4.648 4.070 693 HG12 VAL 107 2HG1 VAL 107 2.156 -2.981 3.491 694 HG13 VAL 107 3HG1 VAL 107 2.140 -4.314 2.338 695 HG21 VAL 107 3HG2 VAL 107 -1.331 -3.612 4.678 696 HG22 VAL 107 1HG2 VAL 107 0.084 -2.591 4.933 697 HG23 VAL 107 2HG2 VAL 107 0.124 -4.287 5.412 698 H GLY 108 H GLY 108 -1.298 -4.723 0.730 699 HA2 GLY 108 1HA GLY 108 -3.393 -5.491 0.222 700 HA3 GLY 108 2HA GLY 108 -3.855 -5.002 1.849 701 H CYS 109 H CYS 109 -2.918 -3.355 -1.161 702 HA CYS 109 HA CYS 109 -4.908 -1.311 -0.512 703 HB2 CYS 109 2HB CYS 109 -2.596 -1.297 -2.454 704 HB3 CYS 109 1HB CYS 109 -3.713 0.040 -2.236 705 H THR 110 H THR 110 -6.756 -1.250 -1.535 706 HA THR 110 HA THR 110 -6.987 -2.614 -4.131 707 HB THR 110 HB THR 110 -9.443 -2.851 -3.434 708 HG1 THR 110 1HG THR 110 -8.901 -2.971 -0.801 709 HG21 THR 110 3HG2 THR 110 -7.344 -4.348 -1.863 710 HG22 THR 110 1HG2 THR 110 -7.862 -4.730 -3.505 711 HG23 THR 110 2HG2 THR 110 -8.996 -4.887 -2.162 712 HA PRO 111 HA PRO 111 -7.917 1.423 -5.857 713 HB2 PRO 111 2HB PRO 111 -9.420 -0.290 -7.766 714 HB3 PRO 111 1HB PRO 111 -8.242 0.986 -8.084 715 HG2 PRO 111 2HG PRO 111 -7.575 -1.580 -8.346 716 HG3 PRO 111 1HG PRO 111 -6.431 -0.396 -7.688 717 HD2 PRO 111 2HD PRO 111 -8.005 -2.495 -6.279 718 HD3 PRO 111 1HD PRO 111 -6.389 -1.860 -5.922 719 H ILE 112 H ILE 112 -9.368 2.605 -4.814 720 HA ILE 112 HA ILE 112 -12.016 1.472 -4.322 721 HB ILE 112 HB ILE 112 -10.962 2.236 -2.325 722 HG12 ILE 112 1HG1 ILE 112 -13.004 4.288 -3.200 723 HG13 ILE 112 2HG1 ILE 112 -13.362 2.703 -2.529 724 HG21 ILE 112 1HG2 ILE 112 -9.306 3.727 -3.263 725 HG22 ILE 112 2HG2 ILE 112 -10.224 4.554 -2.006 726 HG23 ILE 112 3HG2 ILE 112 -10.563 4.883 -3.704 727 HD11 ILE 112 3HD1 ILE 112 -11.920 4.917 -1.097 728 HD12 ILE 112 1HD1 ILE 112 -12.345 3.345 -0.423 729 HD13 ILE 112 2HD1 ILE 112 -13.614 4.481 -0.879 730 H ASN 113 H ASN 113 -13.641 2.017 -5.570 731 HA ASN 113 HA ASN 113 -13.562 4.544 -7.046 732 HB2 ASN 113 1HB ASN 113 -14.098 2.566 -8.369 733 HB3 ASN 113 2HB ASN 113 -15.423 2.168 -7.282 734 HD21 ASN 113 2HD2 ASN 113 -14.336 4.229 -9.841 735 HD22 ASN 113 1HD2 ASN 113 -15.870 4.946 -10.198 736 H ILE 114 H ILE 114 -14.281 6.186 -5.836 737 HA ILE 114 HA ILE 114 -16.512 5.750 -4.029 738 HB ILE 114 HB ILE 114 -16.113 8.313 -3.602 739 HG12 ILE 114 1HG1 ILE 114 -13.695 8.869 -3.761 740 HG13 ILE 114 2HG1 ILE 114 -13.442 7.408 -4.706 741 HG21 ILE 114 1HG2 ILE 114 -14.285 6.143 -2.595 742 HG22 ILE 114 2HG2 ILE 114 -15.870 6.569 -1.949 743 HG23 ILE 114 3HG2 ILE 114 -14.532 7.712 -1.827 744 HD11 ILE 114 3HD1 ILE 114 -15.013 8.330 -6.393 745 HD12 ILE 114 1HD1 ILE 114 -13.535 9.271 -6.180 746 HD13 ILE 114 2HD1 ILE 114 -15.048 9.828 -5.464 747 H GLY 115 H GLY 115 -15.903 7.002 -7.158 748 HA2 GLY 115 1HA GLY 115 -17.591 7.187 -8.762 749 HA3 GLY 115 2HA GLY 115 -18.777 7.287 -7.475 750 H LEU 116 H LEU 116 -16.897 9.505 -6.294 751 HA LEU 116 HA LEU 116 -18.137 11.598 -7.939 752 HB2 LEU 116 1HB LEU 116 -18.134 13.042 -5.989 753 HB3 LEU 116 2HB LEU 116 -19.023 11.566 -5.691 754 HG LEU 116 HG LEU 116 -16.177 11.778 -4.781 755 HD11 LEU 116 1HD1 LEU 116 -16.965 12.707 -2.662 756 HD12 LEU 116 2HD1 LEU 116 -18.590 12.859 -3.335 757 HD13 LEU 116 3HD1 LEU 116 -17.266 13.812 -4.004 758 HD21 LEU 116 3HD2 LEU 116 -16.961 10.264 -3.041 759 HD22 LEU 116 1HD2 LEU 116 -17.348 9.618 -4.636 760 HD23 LEU 116 2HD2 LEU 116 -18.608 10.376 -3.664 Start of MODEL 20 1 H1 LYS 10 1H LYS 10 -17.740 23.728 16.534 2 H2 LYS 10 2H LYS 10 -18.363 24.474 17.917 3 H3 LYS 10 3H LYS 10 -19.328 23.420 17.020 4 HA LYS 10 HA LYS 10 -16.874 22.661 18.479 5 HB2 LYS 10 1HB LYS 10 -19.790 22.168 19.126 6 HB3 LYS 10 2HB LYS 10 -18.441 21.422 19.967 7 HG2 LYS 10 1HG LYS 10 -17.674 23.650 20.670 8 HG3 LYS 10 2HG LYS 10 -19.075 24.363 19.874 9 HD2 LYS 10 1HD LYS 10 -19.848 24.212 22.029 10 HD3 LYS 10 2HD LYS 10 -20.402 22.673 21.378 11 HE2 LYS 10 1HE LYS 10 -17.905 23.121 23.012 12 HE3 LYS 10 2HE LYS 10 -19.402 22.396 23.588 13 HZ1 LYS 10 3HZ LYS 10 -19.065 20.600 21.957 14 HZ2 LYS 10 1HZ LYS 10 -17.814 20.691 23.091 15 HZ3 LYS 10 2HZ LYS 10 -17.578 21.280 21.530 16 H ALA 11 H ALA 11 -17.312 20.138 18.955 17 HA ALA 11 HA ALA 11 -17.471 18.013 18.210 18 HB1 ALA 11 3HB ALA 11 -19.145 19.095 15.955 19 HB2 ALA 11 1HB ALA 11 -19.754 18.583 17.528 20 HB3 ALA 11 2HB ALA 11 -19.007 17.408 16.447 21 H MET 12 H MET 12 -17.236 19.987 15.238 22 HA MET 12 HA MET 12 -14.721 18.582 14.641 23 HB2 MET 12 1HB MET 12 -16.572 17.592 13.317 24 HB3 MET 12 2HB MET 12 -16.907 19.177 12.634 25 HG2 MET 12 1HG MET 12 -14.621 19.194 11.681 26 HG3 MET 12 2HG MET 12 -14.402 17.551 12.275 27 HE1 MET 12 3HE MET 12 -15.816 15.471 11.425 28 HE2 MET 12 1HE MET 12 -17.084 15.579 10.205 29 HE3 MET 12 2HE MET 12 -17.324 16.311 11.791 30 H ALA 13 H ALA 13 -13.130 20.019 14.455 31 HA ALA 13 HA ALA 13 -13.803 22.789 13.773 32 HB1 ALA 13 3HB ALA 13 -11.252 21.686 14.942 33 HB2 ALA 13 1HB ALA 13 -12.572 22.405 15.866 34 HB3 ALA 13 2HB ALA 13 -11.655 23.388 14.726 35 H ASP 14 H ASP 14 -13.538 20.522 11.884 36 HA ASP 14 HA ASP 14 -12.868 20.165 9.759 37 HB2 ASP 14 1HB ASP 14 -11.856 22.986 10.049 38 HB3 ASP 14 2HB ASP 14 -11.602 22.057 8.577 39 H ILE 15 H ILE 15 -10.093 22.115 10.752 40 HA ILE 15 HA ILE 15 -8.371 19.877 9.978 41 HB ILE 15 HB ILE 15 -6.553 21.578 9.953 42 HG12 ILE 15 1HG1 ILE 15 -8.830 23.522 10.406 43 HG13 ILE 15 2HG1 ILE 15 -7.538 23.170 11.548 44 HG21 ILE 15 1HG2 ILE 15 -8.952 22.145 8.222 45 HG22 ILE 15 2HG2 ILE 15 -7.677 20.970 7.905 46 HG23 ILE 15 3HG2 ILE 15 -7.309 22.694 7.891 47 HD11 ILE 15 3HD1 ILE 15 -7.145 25.268 10.408 48 HD12 ILE 15 1HD1 ILE 15 -7.213 24.452 8.846 49 HD13 ILE 15 2HD1 ILE 15 -5.909 24.086 9.975 50 H GLY 16 H GLY 16 -6.202 19.913 11.216 51 HA2 GLY 16 1HA GLY 16 -6.463 20.563 14.038 52 HA3 GLY 16 2HA GLY 16 -6.343 18.850 13.649 53 H SER 17 H SER 17 -4.364 19.097 15.018 54 HA SER 17 HA SER 17 -2.115 20.078 13.385 55 HB2 SER 17 1HB SER 17 -2.549 21.303 15.558 56 HB3 SER 17 2HB SER 17 -2.144 19.807 16.399 57 HG SER 17 HG SER 17 -0.466 21.358 14.709 58 H THR 18 H THR 18 -3.478 17.445 13.432 59 HA THR 18 HA THR 18 -1.231 15.754 14.298 60 HB THR 18 HB THR 18 -3.000 13.893 14.143 61 HG1 THR 18 1HG THR 18 -4.631 15.036 13.083 62 HG21 THR 18 3HG2 THR 18 -2.107 14.716 16.267 63 HG22 THR 18 1HG2 THR 18 -3.829 14.359 16.404 64 HG23 THR 18 2HG2 THR 18 -3.284 16.030 16.258 65 H ALA 19 H ALA 19 -0.057 14.867 12.760 66 HA ALA 19 HA ALA 19 0.669 14.021 10.787 67 HB1 ALA 19 3HB ALA 19 -1.277 12.554 10.844 68 HB2 ALA 19 1HB ALA 19 -0.911 13.056 9.195 69 HB3 ALA 19 2HB ALA 19 -2.250 13.799 10.065 70 H VAL 20 H VAL 20 0.849 14.523 8.457 71 HA VAL 20 HA VAL 20 0.377 17.392 8.042 72 HB VAL 20 HB VAL 20 2.376 15.585 6.670 73 HG11 VAL 20 1HG1 VAL 20 3.337 17.675 5.804 74 HG12 VAL 20 2HG1 VAL 20 2.010 18.578 6.537 75 HG13 VAL 20 3HG1 VAL 20 1.685 17.425 5.242 76 HG21 VAL 20 3HG2 VAL 20 2.934 15.918 9.016 77 HG22 VAL 20 1HG2 VAL 20 2.791 17.664 8.815 78 HG23 VAL 20 2HG2 VAL 20 4.067 16.782 7.979 79 HA PRO 21 HA PRO 21 -2.603 15.973 4.937 80 HB2 PRO 21 2HB PRO 21 -3.034 18.870 4.648 81 HB3 PRO 21 1HB PRO 21 -4.192 17.602 5.056 82 HG2 PRO 21 2HG PRO 21 -3.360 19.395 6.874 83 HG3 PRO 21 1HG PRO 21 -3.725 17.716 7.312 84 HD2 PRO 21 2HD PRO 21 -1.068 19.025 6.868 85 HD3 PRO 21 1HD PRO 21 -1.554 17.853 8.110 86 H ARG 22 H ARG 22 -1.648 15.393 3.078 87 HA ARG 22 HA ARG 22 0.274 17.122 1.782 88 HB2 ARG 22 1HB ARG 22 -0.747 14.355 1.142 89 HB3 ARG 22 2HB ARG 22 0.441 15.200 0.158 90 HG2 ARG 22 1HG ARG 22 1.993 15.261 1.997 91 HG3 ARG 22 2HG ARG 22 0.791 14.555 3.078 92 HD2 ARG 22 1HD ARG 22 2.432 12.899 2.311 93 HD3 ARG 22 2HD ARG 22 0.795 12.504 1.793 94 HE ARG 22 HE ARG 22 2.167 13.990 -0.205 95 HH11 ARG 22 1HH1 ARG 22 2.008 10.800 1.230 96 HH12 ARG 22 2HH1 ARG 22 2.473 9.977 -0.231 97 HH21 ARG 22 1HH2 ARG 22 2.796 12.910 -2.127 98 HH22 ARG 22 2HH2 ARG 22 2.915 11.180 -2.137 99 H ASP 23 H ASP 23 -1.145 18.844 1.279 100 HA ASP 23 HA ASP 23 -2.380 20.137 -0.110 101 HB2 ASP 23 1HB ASP 23 -1.166 19.044 -1.962 102 HB3 ASP 23 2HB ASP 23 -2.379 17.769 -1.995 103 H VAL 24 H VAL 24 -3.699 16.888 -0.652 104 HA VAL 24 HA VAL 24 -6.120 17.688 0.772 105 HB VAL 24 HB VAL 24 -6.719 17.986 -1.550 106 HG11 VAL 24 1HG1 VAL 24 -5.023 16.646 -2.623 107 HG12 VAL 24 2HG1 VAL 24 -6.619 16.128 -3.167 108 HG13 VAL 24 3HG1 VAL 24 -5.738 15.170 -1.978 109 HG21 VAL 24 3HG2 VAL 24 -8.565 16.370 -1.752 110 HG22 VAL 24 1HG2 VAL 24 -8.436 17.048 -0.129 111 HG23 VAL 24 2HG2 VAL 24 -7.849 15.417 -0.452 112 H ASN 25 H ASN 25 -6.686 16.182 2.246 113 HA ASN 25 HA ASN 25 -5.553 13.493 1.911 114 HB2 ASN 25 1HB ASN 25 -4.847 13.347 4.199 115 HB3 ASN 25 2HB ASN 25 -4.135 14.786 3.494 116 HD21 ASN 25 2HD2 ASN 25 -6.436 16.478 3.738 117 HD22 ASN 25 1HD2 ASN 25 -6.675 16.777 5.417 118 H GLY 26 H GLY 26 -8.075 14.068 1.189 119 HA2 GLY 26 1HA GLY 26 -9.564 12.482 3.162 120 HA3 GLY 26 2HA GLY 26 -10.282 13.960 2.532 121 H GLY 27 H GLY 27 -11.738 11.811 2.151 122 HA2 GLY 27 1HA GLY 27 -11.371 11.219 -0.715 123 HA3 GLY 27 2HA GLY 27 -11.841 9.959 0.422 124 H THR 28 H THR 28 -13.609 10.028 -1.406 125 HA THR 28 HA THR 28 -15.595 12.092 -1.025 126 HB THR 28 HB THR 28 -15.996 9.544 -2.589 127 HG1 THR 28 1HG THR 28 -14.048 11.225 -3.027 128 HG21 THR 28 3HG2 THR 28 -17.957 10.997 -2.234 129 HG22 THR 28 1HG2 THR 28 -17.475 10.947 -3.930 130 HG23 THR 28 2HG2 THR 28 -17.069 12.347 -2.939 131 HA PRO 29 HA PRO 29 -17.418 10.519 2.638 132 HB2 PRO 29 2HB PRO 29 -19.923 11.367 1.246 133 HB3 PRO 29 1HB PRO 29 -19.407 11.653 2.912 134 HG2 PRO 29 2HG PRO 29 -19.154 13.556 1.072 135 HG3 PRO 29 1HG PRO 29 -17.906 13.310 2.306 136 HD2 PRO 29 2HD PRO 29 -17.855 12.667 -0.588 137 HD3 PRO 29 1HD PRO 29 -16.518 13.060 0.508 138 HA PRO 30 HA PRO 30 -20.639 7.387 1.181 139 HB2 PRO 30 2HB PRO 30 -21.010 7.274 -1.654 140 HB3 PRO 30 1HB PRO 30 -22.136 7.869 -0.434 141 HG2 PRO 30 2HG PRO 30 -20.904 9.439 -2.338 142 HG3 PRO 30 1HG PRO 30 -21.576 10.039 -0.817 143 HD2 PRO 30 2HD PRO 30 -18.744 9.416 -1.520 144 HD3 PRO 30 1HD PRO 30 -19.396 10.749 -0.545 145 H LYS 31 H LYS 31 -17.583 7.543 -0.020 146 HA LYS 31 HA LYS 31 -17.570 4.671 -0.633 147 HB2 LYS 31 1HB LYS 31 -16.037 6.802 -2.105 148 HB3 LYS 31 2HB LYS 31 -15.835 5.075 -2.345 149 HG2 LYS 31 1HG LYS 31 -18.383 6.599 -2.833 150 HG3 LYS 31 2HG LYS 31 -17.222 6.130 -4.076 151 HD2 LYS 31 1HD LYS 31 -17.590 3.772 -3.525 152 HD3 LYS 31 2HD LYS 31 -18.752 4.244 -2.283 153 HE2 LYS 31 1HE LYS 31 -20.157 5.278 -3.992 154 HE3 LYS 31 2HE LYS 31 -18.998 4.810 -5.233 155 HZ1 LYS 31 3HZ LYS 31 -20.522 2.943 -3.502 156 HZ2 LYS 31 1HZ LYS 31 -19.418 2.498 -4.701 157 HZ3 LYS 31 2HZ LYS 31 -20.855 3.276 -5.125 158 H SER 32 H SER 32 -16.411 3.672 0.859 159 HA SER 32 HA SER 32 -13.733 4.302 1.437 160 HB2 SER 32 1HB SER 32 -14.750 6.183 2.642 161 HB3 SER 32 2HB SER 32 -15.719 5.065 3.598 162 HG SER 32 HG SER 32 -14.054 4.704 4.834 163 H CYS 33 H CYS 33 -13.174 3.126 3.689 164 HA CYS 33 HA CYS 33 -14.585 0.538 3.671 165 HB2 CYS 33 2HB CYS 33 -11.630 1.016 4.127 166 HB3 CYS 33 1HB CYS 33 -12.439 -0.546 4.112 167 H SER 34 H SER 34 -14.964 -0.408 5.657 168 HA SER 34 HA SER 34 -15.083 1.377 7.886 169 HB2 SER 34 1HB SER 34 -15.650 -1.592 7.787 170 HB3 SER 34 2HB SER 34 -16.183 -0.464 9.033 171 HG SER 34 HG SER 34 -17.568 -1.109 7.012 172 H SER 35 H SER 35 -12.647 -0.536 6.669 173 HA SER 35 HA SER 35 -11.423 -1.399 9.089 174 HB2 SER 35 1HB SER 35 -10.971 -2.422 6.859 175 HB3 SER 35 2HB SER 35 -10.144 -0.941 6.380 176 HG SER 35 HG SER 35 -9.024 -1.567 8.613 177 H GLY 36 H GLY 36 -11.466 1.583 7.308 178 HA2 GLY 36 1HA GLY 36 -10.714 3.334 9.136 179 HA3 GLY 36 2HA GLY 36 -9.156 2.622 8.752 180 HA PRO 37 HA PRO 37 -9.868 6.557 6.165 181 HB2 PRO 37 2HB PRO 37 -6.959 6.430 6.309 182 HB3 PRO 37 1HB PRO 37 -8.044 7.743 6.749 183 HG2 PRO 37 2HG PRO 37 -6.739 5.849 8.465 184 HG3 PRO 37 1HG PRO 37 -7.764 7.222 8.917 185 HD2 PRO 37 2HD PRO 37 -8.419 4.546 9.243 186 HD3 PRO 37 1HD PRO 37 -9.572 5.892 9.222 187 H VAL 38 H VAL 38 -9.487 6.806 4.049 188 HA VAL 38 HA VAL 38 -8.645 4.536 2.485 189 HB VAL 38 HB VAL 38 -9.431 7.350 1.672 190 HG11 VAL 38 1HG1 VAL 38 -9.079 4.905 -0.054 191 HG12 VAL 38 2HG1 VAL 38 -8.013 6.311 -0.021 192 HG13 VAL 38 3HG1 VAL 38 -9.678 6.478 -0.589 193 HG21 VAL 38 3HG2 VAL 38 -10.976 4.771 1.582 194 HG22 VAL 38 1HG2 VAL 38 -11.551 6.344 1.028 195 HG23 VAL 38 2HG2 VAL 38 -11.221 6.078 2.743 196 H TYR 39 H TYR 39 -6.890 4.793 0.820 197 HA TYR 39 HA TYR 39 -4.808 6.621 1.819 198 HB2 TYR 39 2HB TYR 39 -4.439 3.785 0.858 199 HB3 TYR 39 1HB TYR 39 -3.121 4.900 1.173 200 HD1 TYR 39 2HD TYR 39 -5.723 2.817 2.697 201 HD2 TYR 39 1HD TYR 39 -2.512 5.510 3.433 202 HE1 TYR 39 2HE TYR 39 -5.697 2.134 5.060 203 HE2 TYR 39 1HE TYR 39 -2.478 4.833 5.794 204 HH TYR 39 HH TYR 39 -3.947 3.847 7.443 205 H CYS 40 H CYS 40 -3.608 7.691 0.387 206 HA CYS 40 HA CYS 40 -4.300 7.318 -2.448 207 HB2 CYS 40 2HB CYS 40 -4.978 9.495 -1.457 208 HB3 CYS 40 1HB CYS 40 -3.290 9.823 -1.088 209 H CYS 41 H CYS 41 -2.741 6.283 -3.500 210 HA CYS 41 HA CYS 41 0.046 6.661 -2.609 211 HB2 CYS 41 2HB CYS 41 -1.182 4.400 -4.203 212 HB3 CYS 41 1HB CYS 41 0.494 4.495 -3.675 213 H ASN 42 H ASN 42 1.457 7.543 -3.915 214 HA ASN 42 HA ASN 42 0.857 8.899 -6.253 215 HB2 ASN 42 1HB ASN 42 2.857 9.377 -4.992 216 HB3 ASN 42 2HB ASN 42 3.474 7.753 -5.271 217 HD21 ASN 42 2HD2 ASN 42 2.875 10.877 -6.672 218 HD22 ASN 42 1HD2 ASN 42 3.875 10.669 -8.071 219 H LYS 43 H LYS 43 1.582 5.597 -5.737 220 HA LYS 43 HA LYS 43 0.677 4.719 -8.248 221 HB2 LYS 43 1HB LYS 43 3.356 5.540 -8.217 222 HB3 LYS 43 2HB LYS 43 3.429 3.797 -8.088 223 HG2 LYS 43 1HG LYS 43 1.829 5.156 -10.231 224 HG3 LYS 43 2HG LYS 43 3.550 4.825 -10.415 225 HD2 LYS 43 1HD LYS 43 2.593 2.967 -11.399 226 HD3 LYS 43 2HD LYS 43 2.881 2.401 -9.754 227 HE2 LYS 43 1HE LYS 43 0.545 3.000 -9.201 228 HE3 LYS 43 2HE LYS 43 0.278 3.383 -10.901 229 HZ1 LYS 43 3HZ LYS 43 -0.466 1.150 -10.422 230 HZ2 LYS 43 1HZ LYS 43 1.055 0.730 -9.808 231 HZ3 LYS 43 2HZ LYS 43 0.871 1.089 -11.453 232 H THR 44 H THR 44 -0.289 2.801 -7.595 233 HA THR 44 HA THR 44 0.754 1.413 -5.314 234 HB THR 44 HB THR 44 -0.911 -0.376 -6.051 235 HG1 THR 44 1HG THR 44 -2.504 1.156 -7.471 236 HG21 THR 44 3HG2 THR 44 -1.311 1.248 -4.264 237 HG22 THR 44 1HG2 THR 44 -2.783 0.908 -5.168 238 HG23 THR 44 2HG2 THR 44 -1.909 2.415 -5.447 239 H GLU 45 H GLU 45 1.497 -0.759 -5.328 240 HA GLU 45 HA GLU 45 2.906 -1.465 -7.811 241 HB2 GLU 45 1HB GLU 45 4.401 -0.582 -5.965 242 HB3 GLU 45 2HB GLU 45 3.927 -1.981 -5.015 243 HG2 GLU 45 1HG GLU 45 6.079 -2.303 -6.111 244 HG3 GLU 45 2HG GLU 45 4.877 -3.468 -6.654 245 H ASP 46 H ASP 46 2.835 -3.562 -8.406 246 HA ASP 46 HA ASP 46 0.666 -5.092 -7.311 247 HB2 ASP 46 1HB ASP 46 2.651 -5.728 -9.503 248 HB3 ASP 46 2HB ASP 46 1.276 -6.744 -9.080 249 H SER 47 H SER 47 0.959 -6.050 -5.435 250 HA SER 47 HA SER 47 3.233 -6.814 -4.149 251 HB2 SER 47 1HB SER 47 0.683 -8.430 -4.065 252 HB3 SER 47 2HB SER 47 1.879 -8.239 -2.781 253 HG SER 47 HG SER 47 -0.230 -6.670 -3.411 254 H LYS 48 H LYS 48 1.635 -8.536 -6.723 255 HA LYS 48 HA LYS 48 2.934 -11.016 -6.418 256 HB2 LYS 48 1HB LYS 48 1.682 -9.748 -8.856 257 HB3 LYS 48 2HB LYS 48 2.226 -11.412 -8.775 258 HG2 LYS 48 1HG LYS 48 -0.089 -11.435 -8.461 259 HG3 LYS 48 2HG LYS 48 0.638 -11.706 -6.879 260 HD2 LYS 48 1HD LYS 48 0.211 -9.481 -6.204 261 HD3 LYS 48 2HD LYS 48 -0.294 -9.017 -7.832 262 HE2 LYS 48 1HE LYS 48 -2.217 -10.521 -7.665 263 HE3 LYS 48 2HE LYS 48 -1.711 -10.993 -6.044 264 HZ1 LYS 48 3HZ LYS 48 -2.133 -8.821 -5.238 265 HZ2 LYS 48 1HZ LYS 48 -3.492 -9.276 -6.136 266 HZ3 LYS 48 2HZ LYS 48 -2.366 -8.200 -6.795 267 H HIS 49 H HIS 49 3.636 -8.093 -8.187 268 HA HIS 49 HA HIS 49 6.216 -9.216 -9.060 269 HB2 HIS 49 1HB HIS 49 4.304 -7.460 -10.599 270 HB3 HIS 49 2HB HIS 49 5.976 -7.706 -11.068 271 HD1 HIS 49 HD1 HIS 49 6.500 -9.763 -12.416 272 HD2 HIS 49 HD2 HIS 49 2.683 -9.849 -10.771 273 HE1 HIS 49 HE1 HIS 49 5.356 -11.748 -13.455 274 HE2 HIS 49 HE2 HIS 49 3.026 -11.737 -12.506 275 H LEU 50 H LEU 50 6.184 -7.940 -6.724 276 HA LEU 50 HA LEU 50 6.481 -5.163 -6.759 277 HB2 LEU 50 1HB LEU 50 7.690 -7.223 -4.927 278 HB3 LEU 50 2HB LEU 50 7.751 -5.495 -4.641 279 HG LEU 50 HG LEU 50 5.258 -7.183 -4.756 280 HD11 LEU 50 1HD1 LEU 50 5.079 -6.600 -2.386 281 HD12 LEU 50 2HD1 LEU 50 6.659 -5.819 -2.475 282 HD13 LEU 50 3HD1 LEU 50 6.515 -7.557 -2.744 283 HD21 LEU 50 3HD2 LEU 50 4.190 -5.061 -3.945 284 HD22 LEU 50 1HD2 LEU 50 4.711 -5.070 -5.629 285 HD23 LEU 50 2HD2 LEU 50 5.673 -4.223 -4.411 286 H ASP 51 H ASP 51 8.364 -3.926 -6.433 287 HA ASP 51 HA ASP 51 10.640 -4.742 -8.067 288 HB2 ASP 51 1HB ASP 51 9.568 -2.484 -8.304 289 HB3 ASP 51 2HB ASP 51 10.089 -2.114 -6.675 290 H LYS 52 H LYS 52 12.749 -4.845 -7.228 291 HA LYS 52 HA LYS 52 13.046 -5.775 -4.608 292 HB2 LYS 52 1HB LYS 52 15.129 -4.607 -6.452 293 HB3 LYS 52 2HB LYS 52 15.474 -5.477 -4.965 294 HG2 LYS 52 1HG LYS 52 13.952 -6.676 -7.262 295 HG3 LYS 52 2HG LYS 52 15.700 -6.801 -7.083 296 HD2 LYS 52 1HD LYS 52 13.672 -7.769 -5.071 297 HD3 LYS 52 2HD LYS 52 14.514 -8.790 -6.238 298 HE2 LYS 52 1HE LYS 52 16.670 -7.917 -5.215 299 HE3 LYS 52 2HE LYS 52 15.669 -7.264 -3.918 300 HZ1 LYS 52 3HZ LYS 52 15.918 -10.117 -4.698 301 HZ2 LYS 52 1HZ LYS 52 14.846 -9.534 -3.529 302 HZ3 LYS 52 2HZ LYS 52 16.509 -9.401 -3.284 303 H GLY 53 H GLY 53 13.070 -2.541 -5.893 304 HA2 GLY 53 1HA GLY 53 14.318 -1.278 -3.677 305 HA3 GLY 53 2HA GLY 53 13.269 -0.500 -4.856 306 H THR 54 H THR 54 10.953 -2.020 -4.446 307 HA THR 54 HA THR 54 10.007 -0.806 -2.012 308 HB THR 54 HB THR 54 8.547 -2.500 -4.050 309 HG1 THR 54 1HG THR 54 8.230 -0.657 -5.067 310 HG21 THR 54 3HG2 THR 54 7.483 -2.612 -1.825 311 HG22 THR 54 1HG2 THR 54 6.488 -1.723 -2.985 312 HG23 THR 54 2HG2 THR 54 7.433 -0.847 -1.773 313 H THR 55 H THR 55 10.383 -4.086 -3.292 314 HA THR 55 HA THR 55 9.553 -5.541 -1.072 315 HB THR 55 HB THR 55 11.830 -6.136 -2.973 316 HG1 THR 55 1HG THR 55 9.557 -7.592 -3.280 317 HG21 THR 55 3HG2 THR 55 10.347 -7.973 -1.096 318 HG22 THR 55 1HG2 THR 55 12.036 -7.477 -0.963 319 HG23 THR 55 2HG2 THR 55 11.513 -8.482 -2.318 320 H ALA 56 H ALA 56 12.540 -3.821 -1.669 321 HA ALA 56 HA ALA 56 14.088 -4.672 0.468 322 HB1 ALA 56 3HB ALA 56 14.942 -3.227 -1.285 323 HB2 ALA 56 1HB ALA 56 15.221 -2.501 0.298 324 HB3 ALA 56 2HB ALA 56 13.910 -1.910 -0.728 325 H LEU 57 H LEU 57 11.831 -1.888 0.403 326 HA LEU 57 HA LEU 57 12.204 -1.103 3.069 327 HB2 LEU 57 1HB LEU 57 9.669 -0.868 1.461 328 HB3 LEU 57 2HB LEU 57 10.025 0.003 2.933 329 HG LEU 57 HG LEU 57 10.686 1.666 1.631 330 HD11 LEU 57 1HD1 LEU 57 12.937 -0.096 0.713 331 HD12 LEU 57 2HD1 LEU 57 12.893 0.708 2.283 332 HD13 LEU 57 3HD1 LEU 57 12.919 1.666 0.799 333 HD21 LEU 57 3HD2 LEU 57 9.488 0.376 -0.211 334 HD22 LEU 57 1HD2 LEU 57 11.098 -0.119 -0.730 335 HD23 LEU 57 2HD2 LEU 57 10.671 1.593 -0.708 336 H LEU 58 H LEU 58 9.873 -3.276 1.598 337 HA LEU 58 HA LEU 58 8.389 -3.921 3.877 338 HB2 LEU 58 1HB LEU 58 9.054 -5.793 1.616 339 HB3 LEU 58 2HB LEU 58 7.642 -5.845 2.653 340 HG LEU 58 HG LEU 58 8.238 -3.654 0.656 341 HD11 LEU 58 1HD1 LEU 58 7.698 -5.805 -0.387 342 HD12 LEU 58 2HD1 LEU 58 6.423 -4.610 -0.631 343 HD13 LEU 58 3HD1 LEU 58 6.219 -5.888 0.571 344 HD21 LEU 58 3HD2 LEU 58 5.976 -2.904 1.120 345 HD22 LEU 58 1HD2 LEU 58 6.946 -2.884 2.593 346 HD23 LEU 58 2HD2 LEU 58 5.777 -4.178 2.324 347 H GLY 59 H GLY 59 11.275 -5.437 2.497 348 HA2 GLY 59 1HA GLY 59 11.606 -7.435 4.424 349 HA3 GLY 59 2HA GLY 59 12.898 -6.729 3.469 350 H LEU 60 H LEU 60 12.597 -4.040 4.454 351 HA LEU 60 HA LEU 60 14.215 -4.102 6.757 352 HB2 LEU 60 1HB LEU 60 12.409 -1.821 5.938 353 HB3 LEU 60 2HB LEU 60 13.866 -1.720 6.908 354 HG LEU 60 HG LEU 60 13.634 -2.189 3.946 355 HD11 LEU 60 1HD1 LEU 60 15.088 -0.246 3.827 356 HD12 LEU 60 2HD1 LEU 60 15.124 -0.151 5.587 357 HD13 LEU 60 3HD1 LEU 60 13.611 0.117 4.720 358 HD21 LEU 60 3HD2 LEU 60 15.225 -3.806 4.831 359 HD22 LEU 60 1HD2 LEU 60 16.089 -2.513 5.662 360 HD23 LEU 60 2HD2 LEU 60 16.044 -2.551 3.899 361 H LEU 61 H LEU 61 10.790 -3.759 6.281 362 HA LEU 61 HA LEU 61 10.274 -3.401 9.127 363 HB2 LEU 61 1HB LEU 61 8.366 -3.501 6.793 364 HB3 LEU 61 2HB LEU 61 7.974 -3.002 8.429 365 HG LEU 61 HG LEU 61 10.152 -1.523 7.050 366 HD11 LEU 61 1HD1 LEU 61 8.536 -0.072 5.931 367 HD12 LEU 61 2HD1 LEU 61 7.237 -1.173 6.394 368 HD13 LEU 61 3HD1 LEU 61 8.504 -1.713 5.292 369 HD21 LEU 61 3HD2 LEU 61 9.167 0.355 8.249 370 HD22 LEU 61 1HD2 LEU 61 9.504 -0.987 9.346 371 HD23 LEU 61 2HD2 LEU 61 7.852 -0.681 8.807 372 H ASN 62 H ASN 62 10.815 -5.950 7.175 373 HA ASN 62 HA ASN 62 10.724 -8.184 7.546 374 HB2 ASN 62 1HB ASN 62 11.065 -7.502 9.946 375 HB3 ASN 62 2HB ASN 62 9.324 -7.589 10.140 376 HD21 ASN 62 2HD2 ASN 62 12.212 -9.437 9.464 377 HD22 ASN 62 1HD2 ASN 62 11.566 -10.974 9.924 378 H ILE 63 H ILE 63 8.627 -6.688 6.206 379 HA ILE 63 HA ILE 63 6.170 -8.091 6.747 380 HB ILE 63 HB ILE 63 6.953 -6.307 4.435 381 HG12 ILE 63 1HG1 ILE 63 5.143 -5.631 6.741 382 HG13 ILE 63 2HG1 ILE 63 6.886 -5.399 6.845 383 HG21 ILE 63 1HG2 ILE 63 4.549 -6.137 3.997 384 HG22 ILE 63 2HG2 ILE 63 4.234 -7.309 5.275 385 HG23 ILE 63 3HG2 ILE 63 5.119 -7.800 3.831 386 HD11 ILE 63 3HD1 ILE 63 5.128 -4.195 4.736 387 HD12 ILE 63 1HD1 ILE 63 6.842 -3.879 5.011 388 HD13 ILE 63 2HD1 ILE 63 5.651 -3.371 6.210 389 H LYS 64 H LYS 64 5.287 -9.720 5.573 390 HA LYS 64 HA LYS 64 7.163 -11.240 3.943 391 HB2 LYS 64 1HB LYS 64 5.263 -12.999 4.095 392 HB3 LYS 64 2HB LYS 64 6.247 -12.686 5.513 393 HG2 LYS 64 1HG LYS 64 3.698 -11.193 5.154 394 HG3 LYS 64 2HG LYS 64 3.647 -12.867 5.692 395 HD2 LYS 64 1HD LYS 64 5.288 -10.727 7.033 396 HD3 LYS 64 2HD LYS 64 3.649 -11.152 7.524 397 HE2 LYS 64 1HE LYS 64 5.956 -13.077 7.398 398 HE3 LYS 64 2HE LYS 64 5.419 -12.266 8.867 399 HZ1 LYS 64 3HZ LYS 64 3.261 -13.337 8.603 400 HZ2 LYS 64 1HZ LYS 64 4.498 -14.485 8.717 401 HZ3 LYS 64 2HZ LYS 64 3.805 -14.135 7.216 402 H ILE 65 H ILE 65 7.106 -11.136 1.849 403 HA ILE 65 HA ILE 65 5.153 -9.569 0.493 404 HB ILE 65 HB ILE 65 7.561 -11.116 -0.446 405 HG12 ILE 65 1HG1 ILE 65 8.341 -8.850 -1.121 406 HG13 ILE 65 2HG1 ILE 65 6.875 -8.173 -0.428 407 HG21 ILE 65 1HG2 ILE 65 7.216 -10.319 -2.692 408 HG22 ILE 65 2HG2 ILE 65 5.737 -9.498 -2.202 409 HG23 ILE 65 3HG2 ILE 65 5.815 -11.262 -2.181 410 HD11 ILE 65 3HD1 ILE 65 9.026 -9.644 1.081 411 HD12 ILE 65 1HD1 ILE 65 7.568 -8.942 1.781 412 HD13 ILE 65 2HD1 ILE 65 8.790 -7.896 1.052 413 H GLY 66 H GLY 66 5.671 -12.985 0.972 414 HA2 GLY 66 1HA GLY 66 3.971 -13.876 -1.144 415 HA3 GLY 66 2HA GLY 66 4.535 -14.841 0.211 416 H ASP 67 H ASP 67 3.368 -12.598 1.969 417 HA ASP 67 HA ASP 67 0.736 -13.801 2.213 418 HB2 ASP 67 1HB ASP 67 1.932 -13.532 4.266 419 HB3 ASP 67 2HB ASP 67 2.285 -11.846 3.913 420 H LEU 68 H LEU 68 2.188 -11.052 0.862 421 HA LEU 68 HA LEU 68 0.205 -9.109 1.150 422 HB2 LEU 68 1HB LEU 68 2.201 -9.542 -1.066 423 HB3 LEU 68 2HB LEU 68 1.223 -8.094 -0.881 424 HG LEU 68 HG LEU 68 3.259 -9.092 1.110 425 HD11 LEU 68 1HD1 LEU 68 4.288 -8.218 -0.915 426 HD12 LEU 68 2HD1 LEU 68 4.535 -7.121 0.442 427 HD13 LEU 68 3HD1 LEU 68 3.322 -6.749 -0.784 428 HD21 LEU 68 3HD2 LEU 68 2.843 -7.001 2.266 429 HD22 LEU 68 1HD2 LEU 68 1.353 -7.941 2.135 430 HD23 LEU 68 2HD2 LEU 68 1.620 -6.566 1.066 431 H LYS 69 H LYS 69 -1.690 -8.812 0.290 432 HA LYS 69 HA LYS 69 -2.726 -10.930 -1.395 433 HB2 LYS 69 1HB LYS 69 -4.075 -8.726 0.136 434 HB3 LYS 69 2HB LYS 69 -4.917 -9.942 -0.790 435 HG2 LYS 69 1HG LYS 69 -3.158 -10.455 1.591 436 HG3 LYS 69 2HG LYS 69 -4.922 -10.468 1.584 437 HD2 LYS 69 1HD LYS 69 -4.864 -12.326 -0.050 438 HD3 LYS 69 2HD LYS 69 -3.103 -12.339 0.069 439 HE2 LYS 69 1HE LYS 69 -5.044 -12.852 2.319 440 HE3 LYS 69 2HE LYS 69 -4.085 -14.068 1.477 441 HZ1 LYS 69 3HZ LYS 69 -3.034 -11.850 3.145 442 HZ2 LYS 69 1HZ LYS 69 -2.078 -12.941 2.279 443 HZ3 LYS 69 2HZ LYS 69 -3.045 -13.490 3.551 444 H ASP 70 H ASP 70 -3.547 -7.467 -1.319 445 HA ASP 70 HA ASP 70 -4.110 -7.651 -4.164 446 HB2 ASP 70 1HB ASP 70 -4.702 -5.473 -2.154 447 HB3 ASP 70 2HB ASP 70 -5.169 -5.415 -3.852 448 H LEU 71 H LEU 71 -3.457 -4.459 -3.317 449 HA LEU 71 HA LEU 71 -0.835 -4.583 -4.663 450 HB2 LEU 71 1HB LEU 71 -2.770 -2.307 -4.268 451 HB3 LEU 71 2HB LEU 71 -1.132 -2.079 -4.828 452 HG LEU 71 HG LEU 71 -2.241 -2.039 -6.798 453 HD11 LEU 71 1HD1 LEU 71 -2.009 -4.162 -7.969 454 HD12 LEU 71 2HD1 LEU 71 -1.785 -4.983 -6.424 455 HD13 LEU 71 3HD1 LEU 71 -0.606 -3.788 -6.969 456 HD21 LEU 71 3HD2 LEU 71 -4.148 -4.154 -5.832 457 HD22 LEU 71 1HD2 LEU 71 -4.253 -3.246 -7.341 458 HD23 LEU 71 2HD2 LEU 71 -4.444 -2.413 -5.793 459 H VAL 72 H VAL 72 0.737 -2.947 -3.977 460 HA VAL 72 HA VAL 72 0.458 -2.099 -1.170 461 HB VAL 72 HB VAL 72 2.492 -2.834 -0.592 462 HG11 VAL 72 1HG1 VAL 72 3.561 -4.581 -1.956 463 HG12 VAL 72 2HG1 VAL 72 2.467 -4.177 -3.280 464 HG13 VAL 72 3HG1 VAL 72 1.823 -4.808 -1.765 465 HG21 VAL 72 3HG2 VAL 72 4.558 -2.482 -2.014 466 HG22 VAL 72 1HG2 VAL 72 3.702 -1.023 -1.494 467 HG23 VAL 72 2HG2 VAL 72 3.514 -1.625 -3.146 468 H GLY 73 H GLY 73 1.798 0.013 -0.835 469 HA2 GLY 73 1HA GLY 73 1.915 1.529 -3.346 470 HA3 GLY 73 2HA GLY 73 0.980 2.165 -2.001 471 H LEU 74 H LEU 74 3.480 3.100 -3.434 472 HA LEU 74 HA LEU 74 5.140 3.281 -1.038 473 HB2 LEU 74 1HB LEU 74 7.008 3.948 -2.352 474 HB3 LEU 74 2HB LEU 74 6.326 2.504 -3.048 475 HG LEU 74 HG LEU 74 7.038 3.819 -4.846 476 HD11 LEU 74 1HD1 LEU 74 4.085 4.286 -4.602 477 HD12 LEU 74 2HD1 LEU 74 4.878 2.853 -5.263 478 HD13 LEU 74 3HD1 LEU 74 5.032 4.409 -6.085 479 HD21 LEU 74 3HD2 LEU 74 6.431 6.168 -5.195 480 HD22 LEU 74 1HD2 LEU 74 7.386 5.923 -3.733 481 HD23 LEU 74 2HD2 LEU 74 5.646 6.184 -3.615 482 H ASN 75 H ASN 75 5.210 4.984 0.121 483 HA ASN 75 HA ASN 75 4.879 7.057 0.950 484 HB2 ASN 75 1HB ASN 75 5.409 7.801 -1.928 485 HB3 ASN 75 2HB ASN 75 5.196 8.991 -0.651 486 HD21 ASN 75 2HD2 ASN 75 6.810 5.901 -0.254 487 HD22 ASN 75 1HD2 ASN 75 8.383 6.550 0.037 488 H CYS 76 H CYS 76 2.639 5.833 0.897 489 HA CYS 76 HA CYS 76 0.615 7.258 -0.608 490 HB2 CYS 76 2HB CYS 76 0.283 5.096 1.480 491 HB3 CYS 76 1HB CYS 76 -0.936 5.653 0.337 492 H SER 77 H SER 77 -0.889 8.609 0.227 493 HA SER 77 HA SER 77 -0.354 9.677 2.901 494 HB2 SER 77 1HB SER 77 -0.442 11.201 0.891 495 HB3 SER 77 2HB SER 77 -2.153 10.814 0.751 496 HG SER 77 HG SER 77 -1.092 11.787 3.180 497 HA PRO 78 HA PRO 78 -4.070 7.526 4.274 498 HB2 PRO 78 2HB PRO 78 -3.639 8.962 6.790 499 HB3 PRO 78 1HB PRO 78 -3.618 7.225 6.481 500 HG2 PRO 78 2HG PRO 78 -1.376 8.614 7.059 501 HG3 PRO 78 1HG PRO 78 -1.372 7.206 5.981 502 HD2 PRO 78 2HD PRO 78 -1.323 10.122 5.292 503 HD3 PRO 78 1HD PRO 78 -0.419 8.775 4.567 504 H LEU 79 H LEU 79 -5.986 8.250 3.695 505 HA LEU 79 HA LEU 79 -6.647 11.086 3.980 506 HB2 LEU 79 1HB LEU 79 -8.283 8.926 2.659 507 HB3 LEU 79 2HB LEU 79 -8.383 10.659 2.402 508 HG LEU 79 HG LEU 79 -6.074 8.889 1.581 509 HD11 LEU 79 1HD1 LEU 79 -8.213 10.210 -0.072 510 HD12 LEU 79 2HD1 LEU 79 -8.039 8.481 0.236 511 HD13 LEU 79 3HD1 LEU 79 -6.812 9.338 -0.697 512 HD21 LEU 79 3HD2 LEU 79 -5.305 11.114 2.123 513 HD22 LEU 79 1HD2 LEU 79 -6.565 11.824 1.111 514 HD23 LEU 79 2HD2 LEU 79 -5.274 10.874 0.376 515 H SER 80 H SER 80 -7.071 11.216 6.179 516 HA SER 80 HA SER 80 -8.944 9.328 7.365 517 HB2 SER 80 1HB SER 80 -8.286 10.626 9.481 518 HB3 SER 80 2HB SER 80 -7.037 9.656 8.703 519 HG SER 80 HG SER 80 -7.133 12.339 9.108 520 H VAL 81 H VAL 81 -8.626 12.838 6.867 521 HA VAL 81 HA VAL 81 -11.201 13.304 8.080 522 HB VAL 81 HB VAL 81 -10.827 15.694 7.405 523 HG11 VAL 81 1HG1 VAL 81 -8.743 14.311 9.088 524 HG12 VAL 81 2HG1 VAL 81 -10.294 14.952 9.630 525 HG13 VAL 81 3HG1 VAL 81 -9.030 16.053 9.081 526 HG21 VAL 81 3HG2 VAL 81 -8.565 16.354 6.728 527 HG22 VAL 81 1HG2 VAL 81 -9.328 15.329 5.512 528 HG23 VAL 81 2HG2 VAL 81 -8.110 14.656 6.597 529 H ILE 82 H ILE 82 -12.858 12.585 6.977 530 HA ILE 82 HA ILE 82 -12.986 12.876 4.089 531 HB ILE 82 HB ILE 82 -14.937 11.613 5.994 532 HG12 ILE 82 1HG1 ILE 82 -12.780 10.485 6.052 533 HG13 ILE 82 2HG1 ILE 82 -13.964 9.494 5.225 534 HG21 ILE 82 1HG2 ILE 82 -15.897 10.563 4.028 535 HG22 ILE 82 2HG2 ILE 82 -14.727 11.385 2.996 536 HG23 ILE 82 3HG2 ILE 82 -15.941 12.322 3.870 537 HD11 ILE 82 3HD1 ILE 82 -13.032 10.207 3.067 538 HD12 ILE 82 1HD1 ILE 82 -11.848 9.384 4.083 539 HD13 ILE 82 2HD1 ILE 82 -11.810 11.139 3.932 540 H GLY 83 H GLY 83 -14.346 14.249 3.017 541 HA2 GLY 83 1HA GLY 83 -16.123 15.740 2.741 542 HA3 GLY 83 2HA GLY 83 -16.430 15.657 4.470 543 H VAL 84 H VAL 84 -13.951 16.299 5.467 544 HA VAL 84 HA VAL 84 -13.832 19.140 5.025 545 HB VAL 84 HB VAL 84 -11.990 17.420 6.698 546 HG11 VAL 84 1HG1 VAL 84 -11.119 19.651 6.203 547 HG12 VAL 84 2HG1 VAL 84 -11.524 19.480 7.911 548 HG13 VAL 84 3HG1 VAL 84 -12.601 20.367 6.833 549 HG21 VAL 84 3HG2 VAL 84 -13.408 18.035 8.604 550 HG22 VAL 84 1HG2 VAL 84 -14.292 17.092 7.403 551 HG23 VAL 84 2HG2 VAL 84 -14.527 18.835 7.501 552 H GLY 85 H GLY 85 -13.237 19.085 2.770 553 HA2 GLY 85 1HA GLY 85 -11.682 19.358 1.096 554 HA3 GLY 85 2HA GLY 85 -10.432 19.284 2.332 555 H GLY 86 H GLY 86 -12.796 17.102 0.808 556 HA2 GLY 86 1HA GLY 86 -10.638 15.093 0.653 557 HA3 GLY 86 2HA GLY 86 -12.289 14.670 1.080 558 H ASN 87 H ASN 87 -13.473 13.883 -0.475 559 HA ASN 87 HA ASN 87 -14.250 13.253 -2.493 560 HB2 ASN 87 1HB ASN 87 -13.058 15.879 -3.392 561 HB3 ASN 87 2HB ASN 87 -14.015 14.833 -4.435 562 HD21 ASN 87 2HD2 ASN 87 -14.590 17.536 -3.628 563 HD22 ASN 87 1HD2 ASN 87 -16.102 17.488 -2.793 564 H SER 88 H SER 88 -11.437 14.864 -3.891 565 HA SER 88 HA SER 88 -10.526 12.222 -4.799 566 HB2 SER 88 1HB SER 88 -9.316 13.616 -6.576 567 HB3 SER 88 2HB SER 88 -11.073 13.534 -6.699 568 HG SER 88 HG SER 88 -9.476 15.659 -5.713 569 H CYS 89 H CYS 89 -8.130 12.085 -5.158 570 HA CYS 89 HA CYS 89 -6.665 13.624 -3.126 571 HB2 CYS 89 2HB CYS 89 -5.636 11.710 -2.286 572 HB3 CYS 89 1HB CYS 89 -7.254 11.122 -2.631 573 H SER 90 H SER 90 -4.251 13.543 -3.557 574 HA SER 90 HA SER 90 -3.942 14.728 -6.125 575 HB2 SER 90 1HB SER 90 -1.751 14.061 -4.159 576 HB3 SER 90 2HB SER 90 -1.757 15.337 -5.375 577 HG SER 90 HG SER 90 -3.534 16.275 -4.185 578 H ALA 91 H ALA 91 -4.017 11.556 -5.431 579 HA ALA 91 HA ALA 91 -2.354 10.835 -7.700 580 HB1 ALA 91 3HB ALA 91 -1.062 9.180 -6.420 581 HB2 ALA 91 1HB ALA 91 -1.793 9.781 -4.934 582 HB3 ALA 91 2HB ALA 91 -0.747 10.832 -5.888 583 H GLN 92 H GLN 92 -2.273 8.029 -6.992 584 HA GLN 92 HA GLN 92 -4.939 7.316 -7.779 585 HB2 GLN 92 1HB GLN 92 -3.718 5.727 -8.784 586 HB3 GLN 92 2HB GLN 92 -2.302 6.128 -7.819 587 HG2 GLN 92 1HG GLN 92 -2.745 4.531 -6.252 588 HG3 GLN 92 2HG GLN 92 -4.460 4.465 -6.624 589 HE21 GLN 92 2HE2 GLN 92 -1.987 4.403 -9.079 590 HE22 GLN 92 1HE2 GLN 92 -2.255 2.762 -9.565 591 H THR 93 H THR 93 -6.524 6.485 -6.512 592 HA THR 93 HA THR 93 -5.969 6.564 -3.634 593 HB THR 93 HB THR 93 -8.781 6.633 -4.495 594 HG1 THR 93 1HG THR 93 -6.848 8.412 -5.485 595 HG21 THR 93 3HG2 THR 93 -7.125 8.504 -2.785 596 HG22 THR 93 1HG2 THR 93 -7.960 7.066 -2.181 597 HG23 THR 93 2HG2 THR 93 -8.888 8.409 -2.849 598 H VAL 94 H VAL 94 -6.074 4.760 -2.525 599 HA VAL 94 HA VAL 94 -7.682 2.513 -3.524 600 HB VAL 94 HB VAL 94 -5.816 0.975 -2.744 601 HG11 VAL 94 1HG1 VAL 94 -5.354 2.741 -5.143 602 HG12 VAL 94 2HG1 VAL 94 -6.278 1.240 -5.089 603 HG13 VAL 94 3HG1 VAL 94 -4.540 1.209 -4.843 604 HG21 VAL 94 3HG2 VAL 94 -3.548 1.900 -2.751 605 HG22 VAL 94 1HG2 VAL 94 -4.537 2.603 -1.469 606 HG23 VAL 94 2HG2 VAL 94 -4.215 3.523 -2.939 607 H CYS 95 H CYS 95 -7.939 0.803 -1.901 608 HA CYS 95 HA CYS 95 -8.093 1.898 0.826 609 HB2 CYS 95 2HB CYS 95 -10.290 1.348 -0.051 610 HB3 CYS 95 1HB CYS 95 -9.737 -0.254 -0.532 611 H CYS 96 H CYS 96 -6.644 1.065 2.193 612 HA CYS 96 HA CYS 96 -5.395 -1.503 1.468 613 HB2 CYS 96 2HB CYS 96 -4.029 0.817 2.829 614 HB3 CYS 96 1HB CYS 96 -3.279 -0.619 2.130 615 H THR 97 H THR 97 -4.610 -2.806 3.179 616 HA THR 97 HA THR 97 -6.529 -2.807 5.336 617 HB THR 97 HB THR 97 -5.969 -4.928 4.280 618 HG1 THR 97 1HG THR 97 -4.863 -4.937 6.907 619 HG21 THR 97 3HG2 THR 97 -3.177 -4.559 5.370 620 HG22 THR 97 1HG2 THR 97 -3.629 -4.397 3.673 621 HG23 THR 97 2HG2 THR 97 -3.784 -5.956 4.481 622 H ASN 98 H ASN 98 -3.171 -2.037 4.902 623 HA ASN 98 HA ASN 98 -2.990 -0.935 7.565 624 HB2 ASN 98 1HB ASN 98 -1.306 -3.316 6.754 625 HB3 ASN 98 2HB ASN 98 -0.856 -2.234 8.061 626 HD21 ASN 98 2HD2 ASN 98 -2.112 -2.211 9.953 627 HD22 ASN 98 1HD2 ASN 98 -3.153 -3.536 10.353 628 H THR 99 H THR 99 -0.901 0.191 7.867 629 HA THR 99 HA THR 99 0.574 0.680 5.396 630 HB THR 99 HB THR 99 -1.151 2.467 5.588 631 HG1 THR 99 1HG THR 99 0.713 3.040 4.531 632 HG21 THR 99 3HG2 THR 99 0.334 3.191 8.115 633 HG22 THR 99 1HG2 THR 99 -1.326 2.608 8.013 634 HG23 THR 99 2HG2 THR 99 -0.901 4.181 7.336 635 H TYR 100 H TYR 100 2.705 1.363 5.727 636 HA TYR 100 HA TYR 100 3.622 1.432 8.516 637 HB2 TYR 100 2HB TYR 100 5.024 -0.129 6.331 638 HB3 TYR 100 1HB TYR 100 5.520 -0.003 8.011 639 HD1 TYR 100 2HD TYR 100 4.302 -1.206 9.760 640 HD2 TYR 100 1HD TYR 100 3.255 -1.622 5.658 641 HE1 TYR 100 2HE TYR 100 2.997 -3.217 10.302 642 HE2 TYR 100 1HE TYR 100 1.945 -3.631 6.193 643 HH TYR 100 HH TYR 100 1.828 -5.351 7.919 644 H GLN 101 H GLN 101 5.589 2.590 8.819 645 HA GLN 101 HA GLN 101 7.159 4.181 8.413 646 HB2 GLN 101 1HB GLN 101 6.806 3.018 5.679 647 HB3 GLN 101 2HB GLN 101 7.821 4.429 5.907 648 HG2 GLN 101 1HG GLN 101 8.179 1.869 7.426 649 HG3 GLN 101 2HG GLN 101 9.008 2.243 5.915 650 HE21 GLN 101 2HE2 GLN 101 9.152 5.079 6.605 651 HE22 GLN 101 1HE2 GLN 101 10.429 5.230 7.740 652 H HIS 102 H HIS 102 4.306 4.799 8.422 653 HA HIS 102 HA HIS 102 2.943 6.588 8.216 654 HB2 HIS 102 1HB HIS 102 5.591 7.872 7.650 655 HB3 HIS 102 2HB HIS 102 4.105 8.799 7.464 656 HD1 HIS 102 HD1 HIS 102 4.257 10.324 9.437 657 HD2 HIS 102 HD2 HIS 102 4.857 6.343 10.461 658 HE1 HIS 102 HE1 HIS 102 4.314 10.276 11.952 659 HE2 HIS 102 HE2 HIS 102 4.831 7.882 12.540 660 H GLY 103 H GLY 103 3.985 4.926 5.734 661 HA2 GLY 103 1HA GLY 103 2.115 5.011 4.016 662 HA3 GLY 103 2HA GLY 103 2.656 6.661 3.766 663 H LEU 104 H LEU 104 5.522 5.495 4.257 664 HA LEU 104 HA LEU 104 6.359 5.524 1.631 665 HB2 LEU 104 1HB LEU 104 7.693 3.861 3.756 666 HB3 LEU 104 2HB LEU 104 8.434 4.549 2.328 667 HG LEU 104 HG LEU 104 7.557 5.958 4.825 668 HD11 LEU 104 1HD1 LEU 104 10.162 5.949 3.330 669 HD12 LEU 104 2HD1 LEU 104 9.794 4.937 4.723 670 HD13 LEU 104 3HD1 LEU 104 9.839 6.691 4.897 671 HD21 LEU 104 3HD2 LEU 104 8.286 7.218 2.198 672 HD22 LEU 104 1HD2 LEU 104 8.154 8.064 3.740 673 HD23 LEU 104 2HD2 LEU 104 6.726 7.312 3.022 674 H VAL 105 H VAL 105 5.454 2.731 3.580 675 HA VAL 105 HA VAL 105 4.902 1.292 1.057 676 HB VAL 105 HB VAL 105 5.224 -0.828 2.437 677 HG11 VAL 105 1HG1 VAL 105 7.628 0.903 1.849 678 HG12 VAL 105 2HG1 VAL 105 6.789 -0.136 0.696 679 HG13 VAL 105 3HG1 VAL 105 7.651 -0.846 2.061 680 HG21 VAL 105 3HG2 VAL 105 5.253 0.411 4.606 681 HG22 VAL 105 1HG2 VAL 105 6.865 0.984 4.185 682 HG23 VAL 105 2HG2 VAL 105 6.568 -0.743 4.389 683 H ASN 106 H ASN 106 3.010 0.202 0.975 684 HA ASN 106 HA ASN 106 1.146 0.461 3.224 685 HB2 ASN 106 1HB ASN 106 1.140 2.329 1.314 686 HB3 ASN 106 2HB ASN 106 0.207 1.106 0.461 687 HD21 ASN 106 2HD2 ASN 106 -1.475 2.661 0.491 688 HD22 ASN 106 1HD2 ASN 106 -2.479 2.814 1.889 689 H VAL 107 H VAL 107 -0.490 -1.225 3.183 690 HA VAL 107 HA VAL 107 0.131 -3.305 1.183 691 HB VAL 107 HB VAL 107 -0.262 -5.012 2.988 692 HG11 VAL 107 1HG1 VAL 107 1.970 -4.522 2.138 693 HG12 VAL 107 2HG1 VAL 107 2.030 -4.835 3.873 694 HG13 VAL 107 3HG1 VAL 107 2.122 -3.180 3.271 695 HG21 VAL 107 3HG2 VAL 107 0.148 -2.635 4.793 696 HG22 VAL 107 1HG2 VAL 107 0.098 -4.324 5.300 697 HG23 VAL 107 2HG2 VAL 107 -1.341 -3.567 4.620 698 H GLY 108 H GLY 108 -1.419 -4.801 0.663 699 HA2 GLY 108 1HA GLY 108 -3.516 -5.580 0.201 700 HA3 GLY 108 2HA GLY 108 -3.960 -5.045 1.816 701 H CYS 109 H CYS 109 -3.014 -3.387 -1.187 702 HA CYS 109 HA CYS 109 -5.115 -1.439 -0.634 703 HB2 CYS 109 2HB CYS 109 -2.785 -1.419 -2.547 704 HB3 CYS 109 1HB CYS 109 -3.974 -0.133 -2.454 705 H THR 110 H THR 110 -6.969 -1.422 -1.666 706 HA THR 110 HA THR 110 -7.148 -2.642 -4.346 707 HB THR 110 HB THR 110 -9.641 -2.816 -3.788 708 HG1 THR 110 1HG THR 110 -9.026 -3.031 -1.100 709 HG21 THR 110 3HG2 THR 110 -9.365 -4.939 -2.611 710 HG22 THR 110 1HG2 THR 110 -7.698 -4.511 -2.227 711 HG23 THR 110 2HG2 THR 110 -8.177 -4.766 -3.904 712 HA PRO 111 HA PRO 111 -7.926 1.539 -5.809 713 HB2 PRO 111 2HB PRO 111 -9.348 -0.028 -7.905 714 HB3 PRO 111 1HB PRO 111 -8.164 1.271 -8.077 715 HG2 PRO 111 2HG PRO 111 -7.462 -1.259 -8.493 716 HG3 PRO 111 1HG PRO 111 -6.364 -0.132 -7.678 717 HD2 PRO 111 2HD PRO 111 -8.021 -2.327 -6.529 718 HD3 PRO 111 1HD PRO 111 -6.419 -1.743 -6.039 719 H ILE 112 H ILE 112 -9.397 2.570 -4.627 720 HA ILE 112 HA ILE 112 -12.114 1.549 -4.427 721 HB ILE 112 HB ILE 112 -11.213 2.304 -2.345 722 HG12 ILE 112 1HG1 ILE 112 -13.152 4.358 -3.440 723 HG13 ILE 112 2HG1 ILE 112 -13.565 2.831 -2.671 724 HG21 ILE 112 1HG2 ILE 112 -9.441 3.735 -3.140 725 HG22 ILE 112 2HG2 ILE 112 -10.441 4.610 -1.981 726 HG23 ILE 112 3HG2 ILE 112 -10.614 4.921 -3.709 727 HD11 ILE 112 3HD1 ILE 112 -12.607 3.630 -0.564 728 HD12 ILE 112 1HD1 ILE 112 -13.900 4.682 -1.140 729 HD13 ILE 112 2HD1 ILE 112 -12.216 5.166 -1.337 730 H ASN 113 H ASN 113 -13.736 2.264 -5.636 731 HA ASN 113 HA ASN 113 -13.293 4.479 -7.445 732 HB2 ASN 113 1HB ASN 113 -15.729 2.717 -7.060 733 HB3 ASN 113 2HB ASN 113 -15.543 3.920 -8.328 734 HD21 ASN 113 2HD2 ASN 113 -16.010 1.090 -8.584 735 HD22 ASN 113 1HD2 ASN 113 -14.690 0.451 -9.497 736 H ILE 114 H ILE 114 -13.318 6.374 -6.404 737 HA ILE 114 HA ILE 114 -14.871 6.859 -4.105 738 HB ILE 114 HB ILE 114 -14.234 9.348 -4.664 739 HG12 ILE 114 1HG1 ILE 114 -12.075 9.461 -5.882 740 HG13 ILE 114 2HG1 ILE 114 -12.259 7.776 -6.346 741 HG21 ILE 114 1HG2 ILE 114 -12.260 7.243 -3.801 742 HG22 ILE 114 2HG2 ILE 114 -13.413 8.096 -2.775 743 HG23 ILE 114 3HG2 ILE 114 -12.086 8.976 -3.530 744 HD11 ILE 114 3HD1 ILE 114 -12.858 9.213 -8.173 745 HD12 ILE 114 1HD1 ILE 114 -14.016 10.074 -7.159 746 HD13 ILE 114 2HD1 ILE 114 -14.297 8.387 -7.576 747 H GLY 115 H GLY 115 -15.509 7.221 -7.440 748 HA2 GLY 115 1HA GLY 115 -17.334 7.906 -8.625 749 HA3 GLY 115 2HA GLY 115 -18.237 7.365 -7.225 750 H LEU 116 H LEU 116 -15.977 10.060 -7.105 751 HA LEU 116 HA LEU 116 -17.906 11.731 -5.914 752 HB2 LEU 116 1HB LEU 116 -16.258 13.500 -6.030 753 HB3 LEU 116 2HB LEU 116 -15.516 12.007 -5.496 754 HG LEU 116 HG LEU 116 -14.927 11.837 -8.099 755 HD11 LEU 116 1HD1 LEU 116 -14.321 14.017 -8.986 756 HD12 LEU 116 2HD1 LEU 116 -14.998 14.801 -7.559 757 HD13 LEU 116 3HD1 LEU 116 -16.055 13.934 -8.672 758 HD21 LEU 116 3HD2 LEU 116 -12.739 12.698 -7.551 759 HD22 LEU 116 1HD2 LEU 116 -13.368 11.762 -6.196 760 HD23 LEU 116 2HD2 LEU 116 -13.389 13.525 -6.135
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