NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
632873 | 6bi6 | 30370 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H THR 2 HN THR 2 11.468 -19.151 -3.033 2 HA THR 2 HA THR 2 11.427 -21.548 -4.497 3 HB THR 2 HB THR 2 8.911 -21.430 -2.855 4 HG1 THR 2 1HG THR 2 11.381 -22.416 -1.925 5 HG21 THR 2 1HG2 THR 2 10.578 -23.751 -3.926 6 HG22 THR 2 2HG2 THR 2 9.124 -23.061 -4.694 7 HG23 THR 2 3HG2 THR 2 8.996 -23.875 -3.130 8 H SER 3 HN SER 3 9.733 -21.411 -6.151 9 HA SER 3 HA SER 3 8.662 -20.376 -7.777 10 HB2 SER 3 2HB SER 3 7.695 -18.333 -5.766 11 HB3 SER 3 3HB SER 3 7.017 -18.656 -7.362 12 HG SER 3 HG SER 3 6.075 -19.665 -5.359 13 H LEU 4 HN LEU 4 8.578 -18.252 -9.099 14 HA LEU 4 HA LEU 4 11.037 -16.713 -8.889 15 HB2 LEU 4 2HB LEU 4 11.805 -17.492 -11.090 16 HB3 LEU 4 3HB LEU 4 12.057 -18.543 -9.708 17 HG LEU 4 HG LEU 4 10.199 -19.982 -10.358 18 HD11 LEU 4 1HD1 LEU 4 9.857 -17.915 -12.547 19 HD12 LEU 4 2HD1 LEU 4 8.810 -18.179 -11.167 20 HD13 LEU 4 3HD1 LEU 4 8.918 -19.436 -12.434 21 HD21 LEU 4 1HD2 LEU 4 11.807 -19.413 -12.853 22 HD22 LEU 4 2HD2 LEU 4 11.092 -20.950 -12.336 23 HD23 LEU 4 3HD2 LEU 4 12.470 -20.291 -11.439 24 H GLN 5 HN GLN 5 8.310 -15.925 -8.705 25 HA GLN 5 HA GLN 5 8.028 -14.162 -11.064 26 HB2 GLN 5 2HB GLN 5 6.890 -16.491 -11.266 27 HB3 GLN 5 3HB GLN 5 5.910 -15.965 -9.907 28 HG2 GLN 5 2HG GLN 5 5.175 -13.994 -11.258 29 HG3 GLN 5 3HG GLN 5 6.109 -14.640 -12.621 30 HE21 GLN 5 1HE2 GLN 5 3.427 -14.118 -12.959 31 HE22 GLN 5 2HE2 GLN 5 2.570 -15.603 -13.185 32 H LEU 6 HN LEU 6 9.030 -13.104 -8.915 33 HA LEU 6 HA LEU 6 6.896 -11.978 -7.309 34 HB2 LEU 6 2HB LEU 6 8.846 -13.519 -6.440 35 HB3 LEU 6 3HB LEU 6 9.865 -12.108 -6.650 36 HG LEU 6 HG LEU 6 7.386 -11.268 -5.502 37 HD11 LEU 6 1HD1 LEU 6 6.981 -13.507 -4.807 38 HD12 LEU 6 2HD1 LEU 6 7.393 -12.547 -3.381 39 HD13 LEU 6 3HD1 LEU 6 8.597 -13.651 -4.072 40 HD21 LEU 6 1HD2 LEU 6 10.184 -11.352 -4.336 41 HD22 LEU 6 2HD2 LEU 6 8.783 -10.513 -3.586 42 HD23 LEU 6 3HD2 LEU 6 9.349 -10.018 -5.190 43 H SER 7 HN SER 7 6.502 -10.563 -8.985 44 HA SER 7 HA SER 7 8.645 -8.694 -9.851 45 HB2 SER 7 2HB SER 7 5.826 -9.014 -10.955 46 HB3 SER 7 3HB SER 7 7.152 -8.140 -11.696 47 HG SER 7 HG SER 7 6.973 -10.091 -12.641 48 H ILE 8 HN ILE 8 8.868 -7.098 -8.315 49 HA ILE 8 HA ILE 8 6.410 -5.748 -7.305 50 HB ILE 8 HB ILE 8 9.190 -5.951 -6.102 51 HG12 ILE 8 2HG1 ILE 8 8.333 -8.179 -6.060 52 HG13 ILE 8 3HG1 ILE 8 8.142 -7.535 -4.448 53 HG21 ILE 8 1HG2 ILE 8 8.036 -5.239 -3.991 54 HG22 ILE 8 2HG2 ILE 8 8.070 -3.999 -5.245 55 HG23 ILE 8 3HG2 ILE 8 6.589 -4.932 -4.958 56 HD11 ILE 8 1HD1 ILE 8 5.898 -7.887 -6.512 57 HD12 ILE 8 2HD1 ILE 8 6.197 -8.859 -5.080 58 HD13 ILE 8 3HD1 ILE 8 5.700 -7.167 -4.895 59 H VAL 9 HN VAL 9 6.203 -3.507 -7.499 60 HA VAL 9 HA VAL 9 8.477 -2.012 -8.648 61 HB VAL 9 HB VAL 9 5.667 -1.672 -9.774 62 HG11 VAL 9 1HG1 VAL 9 6.934 -0.729 -11.690 63 HG12 VAL 9 2HG1 VAL 9 7.355 0.089 -10.184 64 HG13 VAL 9 3HG1 VAL 9 8.459 -1.121 -10.869 65 HG21 VAL 9 1HG2 VAL 9 6.394 -3.055 -11.776 66 HG22 VAL 9 2HG2 VAL 9 7.699 -3.691 -10.752 67 HG23 VAL 9 3HG2 VAL 9 6.009 -3.975 -10.314 68 H HIS 10 HN HIS 10 8.713 -0.057 -7.613 69 HA HIS 10 HA HIS 10 6.309 1.372 -6.735 70 HB2 HIS 10 2HB HIS 10 7.368 0.356 -4.718 71 HB3 HIS 10 3HB HIS 10 8.889 1.138 -5.131 72 HD1 HIS 10 1HD HIS 10 5.212 2.367 -4.372 73 HD2 HIS 10 2HD HIS 10 9.284 3.273 -3.718 74 HE1 HIS 10 1HE HIS 10 5.260 4.431 -2.940 75 H ARG 11 HN ARG 11 7.335 3.799 -6.311 76 HA ARG 11 HA ARG 11 9.469 4.421 -8.203 77 HB2 ARG 11 2HB ARG 11 6.675 5.564 -8.561 78 HB3 ARG 11 3HB ARG 11 8.099 6.399 -9.139 79 HG2 ARG 11 2HG ARG 11 7.449 3.562 -10.007 80 HG3 ARG 11 3HG ARG 11 6.799 4.957 -10.813 81 HD2 ARG 11 2HD ARG 11 9.791 4.804 -10.404 82 HD3 ARG 11 3HD ARG 11 9.035 3.827 -11.659 83 HE ARG 11 HE ARG 11 9.133 6.790 -11.509 84 HH11 ARG 11 1HH1 ARG 11 7.912 3.924 -13.281 85 HH12 ARG 11 2HH1 ARG 11 7.166 4.862 -14.496 86 HH21 ARG 11 1HH2 ARG 11 8.396 7.977 -13.394 87 HH22 ARG 11 2HH2 ARG 11 7.619 7.137 -14.693 88 H LEU 12 HN LEU 12 6.981 6.521 -6.672 89 HA LEU 12 HA LEU 12 8.850 7.229 -4.530 90 HB2 LEU 12 2HB LEU 12 8.983 8.699 -6.754 91 HB3 LEU 12 3HB LEU 12 7.455 9.345 -6.222 92 HG LEU 12 HG LEU 12 9.454 10.727 -5.819 93 HD11 LEU 12 1HD1 LEU 12 7.434 11.067 -4.430 94 HD12 LEU 12 2HD1 LEU 12 8.943 11.593 -3.682 95 HD13 LEU 12 3HD1 LEU 12 8.185 10.093 -3.144 96 HD21 LEU 12 1HD2 LEU 12 10.295 8.752 -3.660 97 HD22 LEU 12 2HD2 LEU 12 11.108 10.242 -4.160 98 HD23 LEU 12 3HD2 LEU 12 11.017 8.868 -5.269 99 HA PRO 13 HA PRO 13 4.759 6.972 -2.650 100 HB2 PRO 13 2HB PRO 13 5.107 8.662 -0.427 101 HB3 PRO 13 3HB PRO 13 5.516 6.918 -0.517 102 HG2 PRO 13 2HG PRO 13 7.318 9.311 -0.913 103 HG3 PRO 13 3HG PRO 13 7.655 7.798 -0.011 104 HD2 PRO 13 2HD PRO 13 8.621 8.130 -2.492 105 HD3 PRO 13 3HD PRO 13 7.923 6.569 -2.024 106 H GLN 14 HN GLN 14 6.204 10.202 -2.891 107 HA GLN 14 HA GLN 14 5.445 12.289 -3.145 108 HB2 GLN 14 2HB GLN 14 3.425 10.842 -4.850 109 HB3 GLN 14 3HB GLN 14 2.957 12.408 -4.239 110 HG2 GLN 14 2HG GLN 14 3.866 13.080 -6.168 111 HG3 GLN 14 3HG GLN 14 5.278 13.243 -5.150 112 HE21 GLN 14 1HE2 GLN 14 7.084 12.674 -6.436 113 HE22 GLN 14 2HE2 GLN 14 7.074 11.311 -7.543 114 H ASN 15 HN ASN 15 3.496 13.768 -2.519 115 HA ASN 15 HA ASN 15 2.471 12.809 0.115 116 HB2 ASN 15 2HB ASN 15 3.168 15.628 -0.777 117 HB3 ASN 15 3HB ASN 15 2.500 15.161 0.803 118 HD21 ASN 15 1HD2 ASN 15 5.027 16.603 0.134 119 HD22 ASN 15 2HD2 ASN 15 6.328 15.559 0.721 120 H TYR 16 HN TYR 16 0.280 12.282 -0.294 121 HA TYR 16 HA TYR 16 -1.288 14.223 -1.874 122 HB2 TYR 16 2HB TYR 16 -2.145 12.539 -3.363 123 HB3 TYR 16 3HB TYR 16 -0.411 12.563 -3.462 124 HD1 TYR 16 1HD TYR 16 0.840 10.532 -2.103 125 HD2 TYR 16 2HD TYR 16 -3.351 10.724 -3.144 126 HE1 TYR 16 1HE TYR 16 0.613 8.151 -1.613 127 HE2 TYR 16 2HE TYR 16 -3.596 8.307 -2.543 128 HH TYR 16 HH TYR 16 -1.112 6.385 -0.999 129 H ARG 17 HN ARG 17 -3.735 13.411 -1.741 130 HA ARG 17 HA ARG 17 -4.328 12.158 0.850 131 HB2 ARG 17 2HB ARG 17 -5.590 14.032 1.712 132 HB3 ARG 17 3HB ARG 17 -3.922 14.508 1.452 133 HG2 ARG 17 2HG ARG 17 -4.473 15.803 -0.495 134 HG3 ARG 17 3HG ARG 17 -6.113 15.160 -0.584 135 HD2 ARG 17 2HD ARG 17 -5.073 16.815 1.754 136 HD3 ARG 17 3HD ARG 17 -5.926 17.490 0.361 137 HE ARG 17 HE ARG 17 -7.686 15.603 1.146 138 HH11 ARG 17 1HH1 ARG 17 -6.258 18.447 2.720 139 HH12 ARG 17 2HH1 ARG 17 -7.426 18.565 3.971 140 HH21 ARG 17 1HH2 ARG 17 -9.334 15.770 2.784 141 HH22 ARG 17 2HH2 ARG 17 -9.300 17.052 3.930 142 H TRP 18 HN TRP 18 -6.836 12.359 1.196 143 HA TRP 18 HA TRP 18 -8.330 11.428 -1.118 144 HB2 TRP 18 2HB TRP 18 -9.421 12.232 1.559 145 HB3 TRP 18 3HB TRP 18 -10.078 11.087 0.399 146 HD1 TRP 18 1HD TRP 18 -9.037 11.015 3.617 147 HE1 TRP 18 1HE TRP 18 -7.890 8.825 4.376 148 HE3 TRP 18 3HE TRP 18 -7.687 9.167 -0.935 149 HZ2 TRP 18 2HZ TRP 18 -6.757 6.517 3.161 150 HZ3 TRP 18 3HZ TRP 18 -6.596 6.919 -1.120 151 HH2 TRP 18 2HH TRP 18 -6.134 5.602 0.934 152 H SER 19 HN SER 19 -9.747 12.742 -2.286 153 HA SER 19 HA SER 19 -9.531 15.555 -2.050 154 HB2 SER 19 2HB SER 19 -9.942 13.749 -4.056 155 HB3 SER 19 3HB SER 19 -11.590 14.244 -3.867 156 HG SER 19 HG SER 19 -10.409 16.497 -4.092 157 H ALA 20 HN ALA 20 -11.117 14.361 0.201 158 HA ALA 20 HA ALA 20 -13.143 14.423 1.261 159 HB1 ALA 20 1HB ALA 20 -12.023 16.544 1.707 160 HB2 ALA 20 2HB ALA 20 -12.794 17.275 0.300 161 HB3 ALA 20 3HB ALA 20 -13.787 16.743 1.684 162 H GLY 21 HN GLY 21 -13.727 13.124 -1.024 163 HA2 GLY 21 2HA GLY 21 -16.473 14.108 -1.593 164 HA3 GLY 21 1HA GLY 21 -15.444 13.588 -2.932 165 H PHE 22 HN PHE 22 -14.135 11.360 -1.618 166 HA PHE 22 HA PHE 22 -16.473 9.482 -1.410 167 HB2 PHE 22 2HB PHE 22 -13.883 8.926 -2.856 168 HB3 PHE 22 3HB PHE 22 -15.316 7.936 -2.793 169 HD1 PHE 22 1HD PHE 22 -13.874 11.087 -4.331 170 HD2 PHE 22 2HD PHE 22 -17.237 8.350 -4.182 171 HE1 PHE 22 1HE PHE 22 -14.706 11.932 -6.461 172 HE2 PHE 22 2HE PHE 22 -18.127 9.358 -6.261 173 HZ PHE 22 HZ PHE 22 -16.867 11.172 -7.398 174 H ALA 23 HN ALA 23 -13.301 10.285 -0.231 175 HA ALA 23 HA ALA 23 -11.711 9.340 0.951 176 HB1 ALA 23 1HB ALA 23 -12.250 7.994 2.938 177 HB2 ALA 23 2HB ALA 23 -13.225 9.474 2.835 178 HB3 ALA 23 3HB ALA 23 -13.944 7.895 2.425 179 H GLY 24 HN GLY 24 -13.839 6.426 0.741 180 HA2 GLY 24 2HA GLY 24 -11.620 4.711 0.436 181 HA3 GLY 24 1HA GLY 24 -13.317 4.284 0.216 182 H SER 25 HN SER 25 -13.279 6.516 -2.098 183 HA SER 25 HA SER 25 -11.716 4.953 -4.098 184 HB2 SER 25 2HB SER 25 -13.605 4.888 -5.607 185 HB3 SER 25 3HB SER 25 -14.003 4.080 -4.086 186 HG SER 25 HG SER 25 -14.691 6.733 -4.820 187 H LYS 26 HN LYS 26 -10.442 7.040 -3.321 188 HA LYS 26 HA LYS 26 -10.561 8.814 -5.590 189 HB2 LYS 26 2HB LYS 26 -12.309 9.737 -4.038 190 HB3 LYS 26 3HB LYS 26 -11.042 10.074 -2.868 191 HG2 LYS 26 2HG LYS 26 -11.565 12.056 -4.055 192 HG3 LYS 26 3HG LYS 26 -9.956 11.534 -4.559 193 HD2 LYS 26 2HD LYS 26 -11.514 10.394 -6.537 194 HD3 LYS 26 3HD LYS 26 -12.442 11.828 -6.126 195 HE2 LYS 26 2HE LYS 26 -11.109 12.922 -7.555 196 HE3 LYS 26 3HE LYS 26 -9.915 12.899 -6.251 197 HZ1 LYS 26 1HZ LYS 26 -9.820 10.482 -7.760 198 HZ2 LYS 26 2HZ LYS 26 -8.633 11.616 -7.522 199 HZ3 LYS 26 3HZ LYS 26 -9.719 11.746 -8.750 200 H VAL 27 HN VAL 27 -8.541 9.898 -5.915 201 HA VAL 27 HA VAL 27 -6.759 10.276 -3.667 202 HB VAL 27 HB VAL 27 -4.758 9.413 -4.878 203 HG11 VAL 27 1HG1 VAL 27 -5.035 7.127 -4.152 204 HG12 VAL 27 2HG1 VAL 27 -5.919 8.204 -3.034 205 HG13 VAL 27 3HG1 VAL 27 -6.804 7.260 -4.251 206 HG21 VAL 27 1HG2 VAL 27 -6.751 7.944 -6.661 207 HG22 VAL 27 2HG2 VAL 27 -5.642 9.225 -7.185 208 HG23 VAL 27 3HG2 VAL 27 -4.999 7.684 -6.610 209 H GLU 28 HN GLU 28 -5.512 12.181 -3.856 210 HA GLU 28 HA GLU 28 -5.262 13.489 -6.481 211 HB2 GLU 28 2HB GLU 28 -7.489 14.181 -5.498 212 HB3 GLU 28 3HB GLU 28 -6.660 14.593 -4.001 213 HG2 GLU 28 2HG GLU 28 -5.317 16.296 -5.482 214 HG3 GLU 28 3HG GLU 28 -6.569 15.996 -6.687 215 HA PRO 29 HA PRO 29 -1.523 14.461 -4.102 216 HB2 PRO 29 2HB PRO 29 -0.313 16.280 -5.724 217 HB3 PRO 29 3HB PRO 29 -0.434 14.541 -6.118 218 HG2 PRO 29 2HG PRO 29 -2.266 16.776 -6.984 219 HG3 PRO 29 3HG PRO 29 -1.461 15.554 -8.036 220 HD2 PRO 29 2HD PRO 29 -4.017 15.218 -7.235 221 HD3 PRO 29 3HD PRO 29 -2.901 13.812 -7.218 222 H ILE 30 HN ILE 30 -0.297 16.542 -3.394 223 HA ILE 30 HA ILE 30 -2.307 18.449 -2.322 224 HB ILE 30 HB ILE 30 0.444 17.613 -1.386 225 HG12 ILE 30 2HG1 ILE 30 -2.255 17.485 0.042 226 HG13 ILE 30 3HG1 ILE 30 -1.615 16.156 -0.907 227 HG21 ILE 30 1HG2 ILE 30 -1.406 19.897 -0.585 228 HG22 ILE 30 2HG2 ILE 30 -0.170 19.301 0.551 229 HG23 ILE 30 3HG2 ILE 30 0.316 20.009 -0.989 230 HD11 ILE 30 1HD1 ILE 30 -1.078 15.712 1.371 231 HD12 ILE 30 2HD1 ILE 30 0.431 16.136 0.545 232 HD13 ILE 30 3HD1 ILE 30 -0.374 17.322 1.591 233 HA PRO 31 HA PRO 31 -0.142 21.176 -5.343 234 HB2 PRO 31 2HB PRO 31 -2.243 22.797 -5.961 235 HB3 PRO 31 3HB PRO 31 -2.019 21.186 -6.697 236 HG2 PRO 31 2HG PRO 31 -3.794 21.947 -4.377 237 HG3 PRO 31 3HG PRO 31 -4.207 20.941 -5.795 238 HD2 PRO 31 2HD PRO 31 -3.480 19.838 -3.394 239 HD3 PRO 31 3HD PRO 31 -3.042 19.085 -4.934 240 H GLN 32 HN GLN 32 0.975 21.575 -3.312 241 HA GLN 32 HA GLN 32 1.814 22.937 -1.666 242 HB2 GLN 32 2HB GLN 32 2.089 24.073 -3.930 243 HB3 GLN 32 3HB GLN 32 0.714 25.084 -3.490 244 HG2 GLN 32 2HG GLN 32 2.136 25.752 -1.399 245 HG3 GLN 32 3HG GLN 32 3.476 24.954 -2.215 246 HE21 GLN 32 1HE2 GLN 32 4.744 26.503 -3.302 247 HE22 GLN 32 2HE2 GLN 32 4.113 27.947 -4.080 248 H ASN 33 HN ASN 33 -0.397 21.999 -0.600 249 HA ASN 33 HA ASN 33 -2.047 24.261 0.420 250 HB2 ASN 33 2HB ASN 33 -2.711 21.312 0.343 251 HB3 ASN 33 3HB ASN 33 -3.683 22.564 1.075 252 HD21 ASN 33 1HD2 ASN 33 -3.968 20.771 -1.472 253 HD22 ASN 33 2HD2 ASN 33 -4.532 21.970 -2.647 254 H GLY 34 HN GLY 34 0.412 22.172 1.604 255 HA2 GLY 34 2HA GLY 34 1.342 22.053 3.707 256 HA3 GLY 34 1HA GLY 34 0.373 23.477 4.061 257 HA PRO 35 HA PRO 35 -2.191 19.745 5.761 258 HB2 PRO 35 2HB PRO 35 -1.052 17.292 5.914 259 HB3 PRO 35 3HB PRO 35 -1.814 17.869 4.394 260 HG2 PRO 35 2HG PRO 35 1.135 18.003 5.167 261 HG3 PRO 35 3HG PRO 35 0.431 17.290 3.686 262 HD2 PRO 35 2HD PRO 35 1.372 19.853 3.765 263 HD3 PRO 35 3HD PRO 35 -0.083 19.448 2.803 264 H CYS 36 HN CYS 36 -1.840 18.501 7.950 265 HA CYS 36 HA CYS 36 -0.089 19.905 9.723 266 HB2 CYS 36 2HB CYS 36 -1.441 17.173 9.952 267 HB3 CYS 36 3HB CYS 36 -0.519 17.935 11.257 268 HG CYS 36 HG CYS 36 -1.833 20.159 11.317 269 H GLY 37 HN GLY 37 0.546 17.154 7.598 270 HA2 GLY 37 2HA GLY 37 2.834 17.475 6.766 271 HA3 GLY 37 1HA GLY 37 3.410 17.339 8.414 272 H ASP 38 HN ASP 38 2.726 15.203 9.568 273 HA ASP 38 HA ASP 38 3.798 13.140 7.880 274 HB2 ASP 38 2HB ASP 38 2.902 12.344 10.594 275 HB3 ASP 38 3HB ASP 38 4.431 12.121 9.783 276 H ASN 39 HN ASN 39 0.987 14.122 7.483 277 HA ASN 39 HA ASN 39 -0.633 11.646 7.813 278 HB2 ASN 39 2HB ASN 39 -1.173 13.804 9.131 279 HB3 ASN 39 3HB ASN 39 -1.730 14.460 7.611 280 HD21 ASN 39 1HD2 ASN 39 -3.934 14.325 7.580 281 HD22 ASN 39 2HD2 ASN 39 -4.925 13.019 8.271 282 H SER 40 HN SER 40 1.258 12.580 5.583 283 HA SER 40 HA SER 40 -0.365 12.947 3.217 284 HB2 SER 40 2HB SER 40 2.452 11.866 3.744 285 HB3 SER 40 3HB SER 40 1.784 12.304 2.172 286 HG SER 40 HG SER 40 3.158 13.850 3.581 287 H LEU 41 HN LEU 41 -0.435 11.140 1.652 288 HA LEU 41 HA LEU 41 -0.772 8.460 2.890 289 HB2 LEU 41 2HB LEU 41 -1.686 9.644 0.255 290 HB3 LEU 41 3HB LEU 41 -1.906 7.947 0.743 291 HG LEU 41 HG LEU 41 -3.089 10.361 2.176 292 HD11 LEU 41 1HD1 LEU 41 -4.047 9.919 -0.058 293 HD12 LEU 41 2HD1 LEU 41 -5.196 9.571 1.244 294 HD13 LEU 41 3HD1 LEU 41 -4.360 8.238 0.418 295 HD21 LEU 41 1HD2 LEU 41 -4.443 8.499 3.315 296 HD22 LEU 41 2HD2 LEU 41 -2.752 8.671 3.829 297 HD23 LEU 41 3HD2 LEU 41 -3.233 7.368 2.715 298 H VAL 42 HN VAL 42 0.112 6.653 1.648 299 HA VAL 42 HA VAL 42 2.222 7.313 -0.343 300 HB VAL 42 HB VAL 42 3.617 5.530 0.533 301 HG11 VAL 42 1HG1 VAL 42 3.795 7.973 1.228 302 HG12 VAL 42 2HG1 VAL 42 3.115 7.467 2.778 303 HG13 VAL 42 3HG1 VAL 42 4.648 6.765 2.180 304 HG21 VAL 42 1HG2 VAL 42 2.370 4.006 1.692 305 HG22 VAL 42 2HG2 VAL 42 3.316 4.786 2.941 306 HG23 VAL 42 3HG2 VAL 42 1.604 5.224 2.760 307 H ALA 43 HN ALA 43 2.514 5.433 -1.940 308 HA ALA 43 HA ALA 43 -0.034 3.924 -2.242 309 HB1 ALA 43 1HB ALA 43 -0.150 6.138 -3.526 310 HB2 ALA 43 2HB ALA 43 1.252 5.583 -4.454 311 HB3 ALA 43 3HB ALA 43 -0.282 4.690 -4.515 312 H LEU 44 HN LEU 44 0.115 2.126 -3.570 313 HA LEU 44 HA LEU 44 2.829 1.285 -4.408 314 HB2 LEU 44 2HB LEU 44 0.709 -0.257 -2.858 315 HB3 LEU 44 3HB LEU 44 1.865 -1.077 -3.874 316 HG LEU 44 HG LEU 44 2.802 -1.230 -1.792 317 HD11 LEU 44 1HD1 LEU 44 4.872 -0.072 -1.836 318 HD12 LEU 44 2HD1 LEU 44 4.239 1.243 -2.806 319 HD13 LEU 44 3HD1 LEU 44 4.435 -0.389 -3.504 320 HD21 LEU 44 1HD2 LEU 44 3.105 0.583 -0.156 321 HD22 LEU 44 2HD2 LEU 44 1.393 0.459 -0.600 322 HD23 LEU 44 3HD2 LEU 44 2.405 1.755 -1.253 323 H LYS 45 HN LYS 45 2.989 0.244 -6.153 324 HA LYS 45 HA LYS 45 1.055 0.716 -8.308 325 HB2 LYS 45 2HB LYS 45 3.909 0.779 -8.025 326 HB3 LYS 45 3HB LYS 45 3.610 -0.694 -8.921 327 HG2 LYS 45 2HG LYS 45 2.729 2.117 -9.667 328 HG3 LYS 45 3HG LYS 45 4.075 1.225 -10.366 329 HD2 LYS 45 2HD LYS 45 2.555 -0.417 -11.360 330 HD3 LYS 45 3HD LYS 45 1.158 0.379 -10.584 331 HE2 LYS 45 2HE LYS 45 1.651 2.461 -11.762 332 HE3 LYS 45 3HE LYS 45 3.003 1.686 -12.614 333 HZ1 LYS 45 1HZ LYS 45 0.858 1.788 -13.842 334 HZ2 LYS 45 2HZ LYS 45 0.180 0.803 -12.755 335 HZ3 LYS 45 3HZ LYS 45 1.409 0.243 -13.694 336 H LEU 46 HN LEU 46 1.286 -1.320 -9.948 337 HA LEU 46 HA LEU 46 0.107 -3.615 -8.871 338 HB2 LEU 46 2HB LEU 46 0.499 -4.667 -10.959 339 HB3 LEU 46 3HB LEU 46 0.164 -2.972 -11.258 340 HG LEU 46 HG LEU 46 2.843 -2.785 -11.287 341 HD11 LEU 46 1HD1 LEU 46 3.839 -4.771 -12.459 342 HD12 LEU 46 2HD1 LEU 46 2.346 -5.678 -12.125 343 HD13 LEU 46 3HD1 LEU 46 3.395 -5.148 -10.797 344 HD21 LEU 46 1HD2 LEU 46 2.772 -3.020 -13.724 345 HD22 LEU 46 2HD2 LEU 46 1.290 -2.241 -13.157 346 HD23 LEU 46 3HD2 LEU 46 1.285 -3.953 -13.626 347 H LEU 47 HN LEU 47 0.926 -5.707 -8.650 348 HA LEU 47 HA LEU 47 3.731 -6.028 -7.743 349 HB2 LEU 47 2HB LEU 47 3.054 -7.190 -5.835 350 HB3 LEU 47 3HB LEU 47 2.518 -5.514 -5.896 351 HG LEU 47 HG LEU 47 0.214 -6.139 -6.270 352 HD11 LEU 47 1HD1 LEU 47 -0.520 -8.521 -5.989 353 HD12 LEU 47 2HD1 LEU 47 1.160 -9.052 -6.180 354 HD13 LEU 47 3HD1 LEU 47 0.288 -8.259 -7.520 355 HD21 LEU 47 1HD2 LEU 47 -0.050 -7.044 -4.006 356 HD22 LEU 47 2HD2 LEU 47 1.385 -5.964 -4.081 357 HD23 LEU 47 3HD2 LEU 47 1.603 -7.708 -4.078 358 H SER 48 HN SER 48 3.902 -8.613 -7.259 359 HA SER 48 HA SER 48 1.846 -10.197 -8.311 360 HB2 SER 48 2HB SER 48 2.791 -11.224 -10.165 361 HB3 SER 48 3HB SER 48 3.442 -9.591 -10.303 362 HG SER 48 HG SER 48 5.040 -11.138 -10.625 363 HA PRO 49 HA PRO 49 2.364 -12.859 -8.933 364 HB2 PRO 49 2HB PRO 49 1.645 -15.128 -7.617 365 HB3 PRO 49 3HB PRO 49 3.278 -14.870 -8.293 366 HG2 PRO 49 2HG PRO 49 2.367 -14.446 -5.415 367 HG3 PRO 49 3HG PRO 49 3.803 -15.326 -5.973 368 HD2 PRO 49 2HD PRO 49 3.905 -12.740 -5.141 369 HD3 PRO 49 3HD PRO 49 4.940 -13.323 -6.469 370 H ASP 50 HN ASP 50 0.033 -13.547 -9.096 371 HA ASP 50 HA ASP 50 -1.740 -12.406 -6.994 372 HB2 ASP 50 2HB ASP 50 -1.646 -10.773 -8.764 373 HB3 ASP 50 3HB ASP 50 -1.839 -12.028 -10.002 374 H GLY 51 HN GLY 51 -3.888 -13.344 -7.021 375 HA2 GLY 51 2HA GLY 51 -4.914 -15.252 -8.654 376 HA3 GLY 51 1HA GLY 51 -4.091 -16.172 -7.355 377 H ASP 52 HN ASP 52 -6.958 -16.172 -7.610 378 HA ASP 52 HA ASP 52 -8.308 -14.196 -6.271 379 HB2 ASP 52 2HB ASP 52 -9.416 -16.016 -7.501 380 HB3 ASP 52 3HB ASP 52 -9.002 -17.144 -6.201 381 H ASN 53 HN ASN 53 -6.580 -16.877 -4.794 382 HA ASN 53 HA ASN 53 -7.265 -16.551 -2.053 383 HB2 ASN 53 2HB ASN 53 -4.601 -17.233 -3.398 384 HB3 ASN 53 3HB ASN 53 -4.779 -17.131 -1.650 385 HD21 ASN 53 1HD2 ASN 53 -3.832 -19.375 -2.214 386 HD22 ASN 53 2HD2 ASN 53 -5.068 -20.642 -2.157 387 H ALA 54 HN ALA 54 -4.601 -15.022 -3.867 388 HA ALA 54 HA ALA 54 -3.706 -13.490 -1.621 389 HB1 ALA 54 1HB ALA 54 -2.317 -14.322 -3.547 390 HB2 ALA 54 2HB ALA 54 -3.136 -13.173 -4.621 391 HB3 ALA 54 3HB ALA 54 -2.120 -12.584 -3.309 392 H TRP 55 HN TRP 55 -5.752 -12.786 -4.437 393 HA TRP 55 HA TRP 55 -6.151 -10.007 -3.950 394 HB2 TRP 55 2HB TRP 55 -6.658 -10.970 -6.053 395 HB3 TRP 55 3HB TRP 55 -7.756 -12.167 -5.356 396 HD1 TRP 55 1HD TRP 55 -9.939 -11.616 -6.501 397 HE1 TRP 55 1HE TRP 55 -11.320 -9.525 -7.022 398 HE3 TRP 55 3HE TRP 55 -6.783 -8.092 -4.582 399 HZ2 TRP 55 2HZ TRP 55 -11.053 -6.660 -6.683 400 HZ3 TRP 55 3HZ TRP 55 -7.217 -5.734 -4.925 401 HH2 TRP 55 2HH TRP 55 -9.410 -4.958 -5.917 402 H SER 56 HN SER 56 -8.215 -12.841 -3.056 403 HA SER 56 HA SER 56 -10.154 -11.303 -1.738 404 HB2 SER 56 2HB SER 56 -10.472 -13.680 -2.484 405 HB3 SER 56 3HB SER 56 -9.348 -14.220 -1.213 406 HG SER 56 HG SER 56 -11.805 -14.153 -0.935 407 H VAL 57 HN VAL 57 -7.407 -13.189 -0.377 408 HA VAL 57 HA VAL 57 -7.751 -12.370 2.287 409 HB VAL 57 HB VAL 57 -5.285 -13.299 0.794 410 HG11 VAL 57 1HG1 VAL 57 -4.649 -12.247 2.936 411 HG12 VAL 57 2HG1 VAL 57 -5.859 -13.225 3.812 412 HG13 VAL 57 3HG1 VAL 57 -4.448 -13.981 3.003 413 HG21 VAL 57 1HG2 VAL 57 -5.859 -15.503 1.744 414 HG22 VAL 57 2HG2 VAL 57 -7.243 -14.817 2.615 415 HG23 VAL 57 3HG2 VAL 57 -7.260 -14.929 0.860 416 H MET 58 HN MET 58 -5.727 -10.737 -0.302 417 HA MET 58 HA MET 58 -4.657 -8.783 1.449 418 HB2 MET 58 2HB MET 58 -3.865 -9.153 -0.812 419 HB3 MET 58 3HB MET 58 -5.403 -8.595 -1.495 420 HG2 MET 58 2HG MET 58 -4.960 -6.333 -0.618 421 HG3 MET 58 3HG MET 58 -3.487 -6.921 0.164 422 HE1 MET 58 1HE MET 58 -4.462 -5.787 -4.034 423 HE2 MET 58 2HE MET 58 -4.451 -7.568 -4.044 424 HE3 MET 58 3HE MET 58 -5.501 -6.676 -2.917 425 H TYR 59 HN TYR 59 -7.715 -8.766 -0.449 426 HA TYR 59 HA TYR 59 -8.574 -6.184 0.366 427 HB2 TYR 59 2HB TYR 59 -9.290 -7.396 -1.659 428 HB3 TYR 59 3HB TYR 59 -10.096 -8.605 -0.674 429 HD1 TYR 59 1HD TYR 59 -9.970 -4.844 -0.964 430 HD2 TYR 59 2HD TYR 59 -12.411 -8.370 -0.441 431 HE1 TYR 59 1HE TYR 59 -11.993 -3.465 -1.202 432 HE2 TYR 59 2HE TYR 59 -14.443 -6.976 -0.562 433 HH TYR 59 HH TYR 59 -14.588 -3.695 -0.379 434 H LYS 60 HN LYS 60 -9.517 -9.446 1.569 435 HA LYS 60 HA LYS 60 -11.311 -8.581 3.584 436 HB2 LYS 60 2HB LYS 60 -9.515 -11.039 3.327 437 HB3 LYS 60 3HB LYS 60 -10.700 -10.843 4.623 438 HG2 LYS 60 2HG LYS 60 -12.545 -10.779 3.054 439 HG3 LYS 60 3HG LYS 60 -11.484 -10.693 1.678 440 HD2 LYS 60 2HD LYS 60 -12.317 -12.940 1.816 441 HD3 LYS 60 3HD LYS 60 -10.608 -12.959 2.202 442 HE2 LYS 60 2HE LYS 60 -11.676 -14.423 3.740 443 HE3 LYS 60 3HE LYS 60 -11.213 -12.980 4.653 444 HZ1 LYS 60 1HZ LYS 60 -13.421 -13.483 5.286 445 HZ2 LYS 60 2HZ LYS 60 -13.901 -13.799 3.754 446 HZ3 LYS 60 3HZ LYS 60 -13.625 -12.243 4.257 447 H LEU 61 HN LEU 61 -7.760 -8.779 3.556 448 HA LEU 61 HA LEU 61 -7.504 -8.168 6.385 449 HB2 LEU 61 2HB LEU 61 -5.617 -8.393 4.054 450 HB3 LEU 61 3HB LEU 61 -5.081 -7.599 5.517 451 HG LEU 61 HG LEU 61 -5.179 -9.467 6.848 452 HD11 LEU 61 1HD1 LEU 61 -6.973 -10.898 4.868 453 HD12 LEU 61 2HD1 LEU 61 -7.381 -10.357 6.497 454 HD13 LEU 61 3HD1 LEU 61 -6.202 -11.651 6.284 455 HD21 LEU 61 1HD2 LEU 61 -4.327 -10.237 4.037 456 HD22 LEU 61 2HD2 LEU 61 -4.082 -11.313 5.420 457 HD23 LEU 61 3HD2 LEU 61 -3.345 -9.705 5.423 458 H SER 62 HN SER 62 -7.422 -6.146 3.367 459 HA SER 62 HA SER 62 -6.642 -3.775 4.837 460 HB2 SER 62 2HB SER 62 -7.851 -2.472 3.028 461 HB3 SER 62 3HB SER 62 -6.542 -3.514 2.490 462 HG SER 62 HG SER 62 -7.802 -4.460 1.295 463 H GLN 63 HN GLN 63 -9.811 -5.230 4.156 464 HA GLN 63 HA GLN 63 -11.403 -3.322 5.560 465 HB2 GLN 63 2HB GLN 63 -11.768 -6.311 5.056 466 HB3 GLN 63 3HB GLN 63 -13.036 -5.255 5.683 467 HG2 GLN 63 2HG GLN 63 -11.645 -4.690 3.006 468 HG3 GLN 63 3HG GLN 63 -13.024 -5.761 3.156 469 HE21 GLN 63 1HE2 GLN 63 -12.020 -2.285 3.878 470 HE22 GLN 63 2HE2 GLN 63 -13.667 -1.730 3.863 471 H ALA 64 HN ALA 64 -9.970 -6.420 6.721 472 HA ALA 64 HA ALA 64 -10.806 -6.213 9.387 473 HB1 ALA 64 1HB ALA 64 -9.820 -8.247 8.422 474 HB2 ALA 64 2HB ALA 64 -8.228 -7.439 8.331 475 HB3 ALA 64 3HB ALA 64 -8.971 -7.724 9.897 476 H LEU 65 HN LEU 65 -7.644 -5.001 8.009 477 HA LEU 65 HA LEU 65 -6.649 -3.867 10.354 478 HB2 LEU 65 2HB LEU 65 -6.290 -3.542 7.359 479 HB3 LEU 65 3HB LEU 65 -5.462 -2.450 8.424 480 HG LEU 65 HG LEU 65 -4.188 -4.089 9.434 481 HD11 LEU 65 1HD1 LEU 65 -4.237 -6.476 9.217 482 HD12 LEU 65 2HD1 LEU 65 -5.666 -6.413 8.184 483 HD13 LEU 65 3HD1 LEU 65 -5.750 -5.904 9.880 484 HD21 LEU 65 1HD2 LEU 65 -4.417 -4.944 6.519 485 HD22 LEU 65 2HD2 LEU 65 -2.986 -5.180 7.547 486 HD23 LEU 65 3HD2 LEU 65 -3.514 -3.537 7.091 487 H SER 66 HN SER 66 -8.731 -2.391 7.815 488 HA SER 66 HA SER 66 -8.845 0.192 8.978 489 HB2 SER 66 2HB SER 66 -9.535 -0.538 6.635 490 HB3 SER 66 3HB SER 66 -11.006 -1.209 7.352 491 HG SER 66 HG SER 66 -11.504 0.812 6.682 492 H ASP 67 HN ASP 67 -10.613 -2.780 9.705 493 HA ASP 67 HA ASP 67 -12.666 -1.799 11.367 494 HB2 ASP 67 2HB ASP 67 -12.024 -4.205 10.347 495 HB3 ASP 67 3HB ASP 67 -11.301 -4.416 11.945 496 H ILE 68 HN ILE 68 -9.237 -1.867 11.997 497 HA ILE 68 HA ILE 68 -9.636 -1.883 14.918 498 HB ILE 68 HB ILE 68 -7.053 -2.129 13.330 499 HG12 ILE 68 2HG1 ILE 68 -8.373 -3.891 12.576 500 HG13 ILE 68 3HG1 ILE 68 -7.146 -4.507 13.613 501 HG21 ILE 68 1HG2 ILE 68 -6.281 -3.259 15.433 502 HG22 ILE 68 2HG2 ILE 68 -6.639 -1.533 15.610 503 HG23 ILE 68 3HG2 ILE 68 -7.797 -2.739 16.184 504 HD11 ILE 68 1HD1 ILE 68 -8.810 -4.820 15.448 505 HD12 ILE 68 2HD1 ILE 68 -10.089 -4.208 14.376 506 HD13 ILE 68 3HD1 ILE 68 -9.257 -5.711 13.980 507 H GLU 69 HN GLU 69 -7.418 -0.270 12.633 508 HA GLU 69 HA GLU 69 -8.119 2.401 13.511 509 HB2 GLU 69 2HB GLU 69 -5.994 2.949 14.637 510 HB3 GLU 69 3HB GLU 69 -6.788 1.624 15.499 511 HG2 GLU 69 2HG GLU 69 -5.352 0.005 14.270 512 HG3 GLU 69 3HG GLU 69 -4.591 1.364 13.434 513 H VAL 70 HN VAL 70 -7.224 0.420 11.050 514 HA VAL 70 HA VAL 70 -5.071 2.163 9.969 515 HB VAL 70 HB VAL 70 -5.345 -0.848 9.809 516 HG11 VAL 70 1HG1 VAL 70 -2.888 -0.622 9.170 517 HG12 VAL 70 2HG1 VAL 70 -4.045 -0.078 7.977 518 HG13 VAL 70 3HG1 VAL 70 -3.196 1.115 8.955 519 HG21 VAL 70 1HG2 VAL 70 -3.527 0.706 11.637 520 HG22 VAL 70 2HG2 VAL 70 -4.880 -0.388 12.093 521 HG23 VAL 70 3HG2 VAL 70 -3.451 -1.037 11.325 522 HA PRO 71 HA PRO 71 -8.450 1.866 6.808 523 HB2 PRO 71 2HB PRO 71 -8.334 4.421 5.834 524 HB3 PRO 71 3HB PRO 71 -9.279 3.938 7.274 525 HG2 PRO 71 2HG PRO 71 -6.509 5.176 7.183 526 HG3 PRO 71 3HG PRO 71 -7.887 5.650 8.211 527 HD2 PRO 71 2HD PRO 71 -5.879 4.024 9.116 528 HD3 PRO 71 3HD PRO 71 -7.570 3.794 9.646 529 H CYS 72 HN CYS 72 -7.618 0.680 5.287 530 HA CYS 72 HA CYS 72 -5.291 1.611 3.638 531 HB2 CYS 72 2HB CYS 72 -6.237 -1.249 4.143 532 HB3 CYS 72 3HB CYS 72 -4.892 -0.765 3.093 533 HG CYS 72 HG CYS 72 -5.261 -0.296 6.349 534 H SER 73 HN SER 73 -5.534 1.269 1.365 535 HA SER 73 HA SER 73 -8.322 0.793 0.419 536 HB2 SER 73 2HB SER 73 -6.457 3.086 0.170 537 HB3 SER 73 3HB SER 73 -7.220 2.566 -1.353 538 HG SER 73 HG SER 73 -9.110 3.083 -0.587 539 H VAL 74 HN VAL 74 -8.535 -0.425 -1.347 540 HA VAL 74 HA VAL 74 -6.228 -1.597 -2.722 541 HB VAL 74 HB VAL 74 -8.662 -3.009 -1.514 542 HG11 VAL 74 1HG1 VAL 74 -7.856 -4.160 -3.507 543 HG12 VAL 74 2HG1 VAL 74 -6.200 -4.199 -2.889 544 HG13 VAL 74 3HG1 VAL 74 -7.487 -5.123 -2.084 545 HG21 VAL 74 1HG2 VAL 74 -6.829 -4.150 -0.071 546 HG22 VAL 74 2HG2 VAL 74 -5.764 -2.840 -0.566 547 HG23 VAL 74 3HG2 VAL 74 -7.235 -2.461 0.331 548 H LEU 75 HN LEU 75 -6.572 -1.409 -4.930 549 HA LEU 75 HA LEU 75 -9.330 -1.697 -5.941 550 HB2 LEU 75 2HB LEU 75 -7.491 0.644 -6.521 551 HB3 LEU 75 3HB LEU 75 -8.906 0.244 -7.503 552 HG LEU 75 HG LEU 75 -8.918 1.089 -4.577 553 HD11 LEU 75 1HD1 LEU 75 -8.312 2.971 -5.889 554 HD12 LEU 75 2HD1 LEU 75 -10.010 3.164 -5.479 555 HD13 LEU 75 3HD1 LEU 75 -9.570 2.630 -7.108 556 HD21 LEU 75 1HD2 LEU 75 -10.858 -0.270 -4.927 557 HD22 LEU 75 2HD2 LEU 75 -11.193 0.457 -6.490 558 HD23 LEU 75 3HD2 LEU 75 -11.404 1.391 -4.985 559 H GLU 76 HN GLU 76 -9.299 -2.726 -7.983 560 HA GLU 76 HA GLU 76 -6.638 -3.613 -8.938 561 HB2 GLU 76 2HB GLU 76 -7.777 -5.422 -10.033 562 HB3 GLU 76 3HB GLU 76 -8.190 -5.390 -8.335 563 HG2 GLU 76 2HG GLU 76 -10.324 -5.609 -9.000 564 HG3 GLU 76 3HG GLU 76 -10.283 -3.902 -9.393 565 H CYS 77 HN CYS 77 -6.612 -3.882 -11.353 566 HA CYS 77 HA CYS 77 -8.547 -2.612 -12.977 567 HB2 CYS 77 2HB CYS 77 -5.638 -1.684 -13.269 568 HB3 CYS 77 3HB CYS 77 -6.883 -1.544 -14.500 569 HG CYS 77 HG CYS 77 -6.681 0.799 -13.720 570 H GLU 78 HN GLU 78 -8.927 -4.672 -13.686 571 HA GLU 78 HA GLU 78 -8.792 -6.381 -15.174 572 HB2 GLU 78 2HB GLU 78 -6.112 -5.255 -16.059 573 HB3 GLU 78 3HB GLU 78 -7.065 -6.478 -16.886 574 HG2 GLU 78 2HG GLU 78 -8.756 -4.877 -17.490 575 HG3 GLU 78 3HG GLU 78 -8.071 -3.647 -16.419 576 H GLY 79 HN GLY 79 -5.422 -5.947 -14.222 577 HA2 GLY 79 2HA GLY 79 -5.250 -8.494 -12.740 578 HA3 GLY 79 1HA GLY 79 -4.266 -8.386 -14.209 579 H GLU 80 HN GLU 80 -4.727 -5.322 -12.725 580 HA GLU 80 HA GLU 80 -2.117 -5.425 -11.304 581 HB2 GLU 80 2HB GLU 80 -3.481 -3.222 -12.893 582 HB3 GLU 80 3HB GLU 80 -2.237 -2.911 -11.681 583 HG2 GLU 80 2HG GLU 80 -0.989 -3.007 -13.581 584 HG3 GLU 80 3HG GLU 80 -0.774 -4.621 -12.896 585 HA PRO 81 HA PRO 81 -5.057 -4.524 -7.834 586 HB2 PRO 81 2HB PRO 81 -3.630 -5.990 -6.011 587 HB3 PRO 81 3HB PRO 81 -4.972 -6.669 -6.985 588 HG2 PRO 81 2HG PRO 81 -1.993 -6.886 -7.446 589 HG3 PRO 81 3HG PRO 81 -3.235 -8.168 -7.594 590 HD2 PRO 81 2HD PRO 81 -2.233 -6.783 -9.726 591 HD3 PRO 81 3HD PRO 81 -3.919 -7.376 -9.694 592 H CYS 82 HN CYS 82 -4.516 -2.541 -6.956 593 HA CYS 82 HA CYS 82 -1.687 -1.974 -6.300 594 HB2 CYS 82 2HB CYS 82 -3.509 0.029 -7.676 595 HB3 CYS 82 3HB CYS 82 -1.825 0.248 -7.259 596 HG CYS 82 HG CYS 82 -3.086 -1.999 -9.325 597 H LEU 83 HN LEU 83 -1.543 -0.200 -4.699 598 HA LEU 83 HA LEU 83 -3.858 -0.369 -2.798 599 HB2 LEU 83 2HB LEU 83 -1.273 -1.809 -2.813 600 HB3 LEU 83 3HB LEU 83 -1.412 -0.795 -1.400 601 HG LEU 83 HG LEU 83 -3.507 -1.870 -0.749 602 HD11 LEU 83 1HD1 LEU 83 -3.091 -3.605 -3.234 603 HD12 LEU 83 2HD1 LEU 83 -4.459 -2.543 -2.894 604 HD13 LEU 83 3HD1 LEU 83 -4.222 -3.982 -1.912 605 HD21 LEU 83 1HD2 LEU 83 -2.599 -3.793 0.149 606 HD22 LEU 83 2HD2 LEU 83 -1.107 -2.939 -0.292 607 HD23 LEU 83 3HD2 LEU 83 -1.732 -4.231 -1.328 608 H PHE 84 HN PHE 84 -3.628 0.970 -0.896 609 HA PHE 84 HA PHE 84 -1.850 3.308 -1.091 610 HB2 PHE 84 2HB PHE 84 -4.847 3.676 -0.895 611 HB3 PHE 84 3HB PHE 84 -3.643 4.902 -1.092 612 HD1 PHE 84 1HD PHE 84 -5.536 2.172 -2.817 613 HD2 PHE 84 2HD PHE 84 -2.817 5.474 -3.330 614 HE1 PHE 84 1HE PHE 84 -5.848 2.054 -5.260 615 HE2 PHE 84 2HE PHE 84 -3.180 5.394 -5.777 616 HZ PHE 84 HZ PHE 84 -4.683 3.665 -6.756 617 H VAL 85 HN VAL 85 -1.325 4.018 0.962 618 HA VAL 85 HA VAL 85 -2.836 3.204 3.329 619 HB VAL 85 HB VAL 85 -0.355 2.663 4.271 620 HG11 VAL 85 1HG1 VAL 85 -2.286 1.236 4.581 621 HG12 VAL 85 2HG1 VAL 85 -2.132 0.604 2.926 622 HG13 VAL 85 3HG1 VAL 85 -0.849 0.300 4.138 623 HG21 VAL 85 1HG2 VAL 85 0.998 1.351 2.789 624 HG22 VAL 85 2HG2 VAL 85 -0.189 1.487 1.480 625 HG23 VAL 85 3HG2 VAL 85 0.673 2.913 2.005 626 H ASN 86 HN ASN 86 -1.346 4.252 5.344 627 HA ASN 86 HA ASN 86 -1.773 7.043 4.658 628 HB2 ASN 86 2HB ASN 86 -1.248 5.555 7.266 629 HB3 ASN 86 3HB ASN 86 -1.482 7.285 7.175 630 HD21 ASN 86 1HD2 ASN 86 -3.051 4.425 7.813 631 HD22 ASN 86 2HD2 ASN 86 -4.654 4.753 7.224 632 H ARG 87 HN ARG 87 0.524 5.924 6.882 633 HA ARG 87 HA ARG 87 2.809 6.664 5.125 634 HB2 ARG 87 2HB ARG 87 1.977 8.667 6.495 635 HB3 ARG 87 3HB ARG 87 2.602 7.850 7.913 636 HG2 ARG 87 2HG ARG 87 4.296 9.289 7.385 637 HG3 ARG 87 3HG ARG 87 4.868 7.829 6.562 638 HD2 ARG 87 2HD ARG 87 3.764 8.785 4.421 639 HD3 ARG 87 3HD ARG 87 3.412 10.226 5.352 640 HE ARG 87 HE ARG 87 5.600 10.862 5.437 641 HH11 ARG 87 1HH1 ARG 87 5.513 7.698 3.856 642 HH12 ARG 87 2HH1 ARG 87 7.046 7.840 3.105 643 HH21 ARG 87 1HH2 ARG 87 7.649 11.074 4.418 644 HH22 ARG 87 2HH2 ARG 87 8.294 9.792 3.416 645 H GLN 88 HN GLN 88 2.623 5.925 8.573 646 HA GLN 88 HA GLN 88 4.992 4.167 8.489 647 HB2 GLN 88 2HB GLN 88 4.065 3.574 10.898 648 HB3 GLN 88 3HB GLN 88 4.906 5.085 10.578 649 HG2 GLN 88 2HG GLN 88 1.886 4.824 10.637 650 HG3 GLN 88 3HG GLN 88 2.866 5.186 12.051 651 HE21 GLN 88 1HE2 GLN 88 0.859 6.762 10.641 652 HE22 GLN 88 2HE2 GLN 88 1.584 8.341 10.362 653 H ASP 89 HN ASP 89 1.708 3.825 8.148 654 HA ASP 89 HA ASP 89 1.225 1.131 8.537 655 HB2 ASP 89 2HB ASP 89 -0.085 3.281 6.833 656 HB3 ASP 89 3HB ASP 89 -0.619 1.621 6.696 657 H GLU 90 HN GLU 90 3.247 2.545 6.095 658 HA GLU 90 HA GLU 90 2.921 0.383 4.232 659 HB2 GLU 90 2HB GLU 90 5.052 1.018 3.271 660 HB3 GLU 90 3HB GLU 90 4.077 2.449 3.579 661 HG2 GLU 90 2HG GLU 90 5.406 2.783 5.716 662 HG3 GLU 90 3HG GLU 90 6.430 1.459 5.188 663 H PHE 91 HN PHE 91 5.461 0.878 6.811 664 HA PHE 91 HA PHE 91 6.579 -1.688 6.484 665 HB2 PHE 91 2HB PHE 91 7.731 -1.365 8.624 666 HB3 PHE 91 3HB PHE 91 7.900 0.010 7.574 667 HD1 PHE 91 1HD PHE 91 6.200 -1.153 10.647 668 HD2 PHE 91 2HD PHE 91 7.563 2.150 8.218 669 HE1 PHE 91 1HE PHE 91 5.665 0.420 12.507 670 HE2 PHE 91 2HE PHE 91 7.108 3.708 10.129 671 HZ PHE 91 HZ PHE 91 6.115 2.821 12.227 672 H ALA 92 HN ALA 92 4.436 -0.316 8.758 673 HA ALA 92 HA ALA 92 3.988 -2.579 10.415 674 HB1 ALA 92 1HB ALA 92 1.843 -1.657 11.104 675 HB2 ALA 92 2HB ALA 92 3.040 -0.344 11.004 676 HB3 ALA 92 3HB ALA 92 1.821 -0.547 9.730 677 H ALA 93 HN ALA 93 2.085 -1.665 7.467 678 HA ALA 93 HA ALA 93 0.332 -3.859 7.500 679 HB1 ALA 93 1HB ALA 93 0.156 -3.408 5.064 680 HB2 ALA 93 2HB ALA 93 -0.129 -1.993 6.110 681 HB3 ALA 93 3HB ALA 93 1.436 -2.169 5.230 682 H THR 94 HN THR 94 3.420 -3.482 5.570 683 HA THR 94 HA THR 94 3.239 -6.126 4.534 684 HB THR 94 HB THR 94 4.591 -4.635 3.412 685 HG1 THR 94 1HG THR 94 6.661 -5.557 3.433 686 HG21 THR 94 1HG2 THR 94 6.801 -3.786 4.356 687 HG22 THR 94 2HG2 THR 94 6.201 -4.309 5.935 688 HG23 THR 94 3HG2 THR 94 5.388 -3.071 5.023 689 H CYS 95 HN CYS 95 4.726 -4.976 7.633 690 HA CYS 95 HA CYS 95 5.864 -7.384 8.374 691 HB2 CYS 95 2HB CYS 95 6.136 -5.176 9.472 692 HB3 CYS 95 3HB CYS 95 4.566 -5.413 10.282 693 HG CYS 95 HG CYS 95 7.085 -5.991 11.521 694 H ARG 96 HN ARG 96 2.458 -6.235 9.152 695 HA ARG 96 HA ARG 96 1.824 -8.834 10.383 696 HB2 ARG 96 2HB ARG 96 -0.584 -8.105 10.154 697 HB3 ARG 96 3HB ARG 96 0.490 -7.210 11.240 698 HG2 ARG 96 2HG ARG 96 0.597 -5.384 9.614 699 HG3 ARG 96 3HG ARG 96 -0.471 -6.262 8.506 700 HD2 ARG 96 2HD ARG 96 -2.266 -5.585 9.637 701 HD3 ARG 96 3HD ARG 96 -1.645 -6.272 11.119 702 HE ARG 96 HE ARG 96 -1.051 -4.243 11.869 703 HH11 ARG 96 1HH1 ARG 96 -1.904 -3.827 8.480 704 HH12 ARG 96 2HH1 ARG 96 -1.430 -2.139 8.476 705 HH21 ARG 96 1HH2 ARG 96 -0.618 -1.978 11.890 706 HH22 ARG 96 2HH2 ARG 96 -0.831 -1.076 10.410 707 H LEU 97 HN LEU 97 1.219 -7.507 7.085 708 HA LEU 97 HA LEU 97 -0.377 -9.646 6.119 709 HB2 LEU 97 2HB LEU 97 1.411 -7.538 4.943 710 HB3 LEU 97 3HB LEU 97 0.961 -8.833 3.906 711 HG LEU 97 HG LEU 97 -0.461 -6.720 3.815 712 HD11 LEU 97 1HD1 LEU 97 -2.527 -8.097 3.386 713 HD12 LEU 97 2HD1 LEU 97 -1.629 -9.510 4.018 714 HD13 LEU 97 3HD1 LEU 97 -1.062 -8.647 2.580 715 HD21 LEU 97 1HD2 LEU 97 -2.405 -6.583 5.275 716 HD22 LEU 97 2HD2 LEU 97 -0.920 -6.397 6.202 717 HD23 LEU 97 3HD2 LEU 97 -1.823 -7.929 6.266 718 H LYS 98 HN LYS 98 3.216 -9.303 6.204 719 HA LYS 98 HA LYS 98 3.859 -11.597 4.801 720 HB2 LYS 98 2HB LYS 98 5.243 -9.870 6.789 721 HB3 LYS 98 3HB LYS 98 5.760 -11.533 6.907 722 HG2 LYS 98 2HG LYS 98 7.168 -11.171 5.240 723 HG3 LYS 98 3HG LYS 98 5.786 -11.009 4.147 724 HD2 LYS 98 2HD LYS 98 5.659 -8.622 4.584 725 HD3 LYS 98 3HD LYS 98 6.932 -8.715 5.789 726 HE2 LYS 98 2HE LYS 98 7.438 -7.832 3.484 727 HE3 LYS 98 3HE LYS 98 8.613 -8.953 4.228 728 HZ1 LYS 98 1HZ LYS 98 8.390 -9.648 2.038 729 HZ2 LYS 98 2HZ LYS 98 6.790 -9.400 1.959 730 HZ3 LYS 98 3HZ LYS 98 7.386 -10.675 2.818 731 H ASN 99 HN ASN 99 2.909 -11.397 8.224 732 HA ASN 99 HA ASN 99 3.362 -14.177 8.842 733 HB2 ASN 99 2HB ASN 99 2.033 -11.868 10.167 734 HB3 ASN 99 3HB ASN 99 1.223 -13.402 10.435 735 HD21 ASN 99 1HD2 ASN 99 4.849 -12.745 10.213 736 HD22 ASN 99 2HD2 ASN 99 5.053 -13.516 11.774 737 H PHE 100 HN PHE 100 0.525 -12.447 7.432 738 HA PHE 100 HA PHE 100 -1.219 -14.718 7.514 739 HB2 PHE 100 2HB PHE 100 -1.242 -11.995 6.321 740 HB3 PHE 100 3HB PHE 100 -2.125 -13.170 5.395 741 HD1 PHE 100 1HD PHE 100 -3.790 -14.746 6.830 742 HD2 PHE 100 2HD PHE 100 -2.444 -10.814 7.998 743 HE1 PHE 100 1HE PHE 100 -5.863 -14.403 8.136 744 HE2 PHE 100 2HE PHE 100 -4.486 -10.526 9.361 745 HZ PHE 100 HZ PHE 100 -6.208 -12.313 9.423 746 H GLY 101 HN GLY 101 1.488 -14.062 5.465 747 HA2 GLY 101 2HA GLY 101 2.537 -15.748 4.280 748 HA3 GLY 101 1HA GLY 101 1.024 -16.640 4.155 749 H VAL 102 HN VAL 102 -0.084 -13.810 3.087 750 HA VAL 102 HA VAL 102 0.197 -14.578 0.314 751 HB VAL 102 HB VAL 102 -1.099 -12.552 -0.201 752 HG11 VAL 102 1HG1 VAL 102 -3.142 -13.329 0.758 753 HG12 VAL 102 2HG1 VAL 102 -2.147 -14.713 0.320 754 HG13 VAL 102 3HG1 VAL 102 -2.283 -14.236 2.025 755 HG21 VAL 102 1HG2 VAL 102 -0.508 -10.935 1.463 756 HG22 VAL 102 2HG2 VAL 102 -2.209 -11.302 1.662 757 HG23 VAL 102 3HG2 VAL 102 -1.037 -11.994 2.802 758 H ALA 103 HN ALA 103 0.753 -12.428 -1.231 759 HA ALA 103 HA ALA 103 3.547 -11.724 -0.501 760 HB1 ALA 103 1HB ALA 103 2.123 -11.758 -3.186 761 HB2 ALA 103 2HB ALA 103 3.856 -11.498 -2.898 762 HB3 ALA 103 3HB ALA 103 3.134 -13.057 -2.546 763 H ILE 104 HN ILE 104 4.215 -9.370 -0.796 764 HA ILE 104 HA ILE 104 2.046 -7.467 -1.258 765 HB ILE 104 HB ILE 104 2.916 -6.111 0.663 766 HG12 ILE 104 2HG1 ILE 104 5.001 -7.468 1.070 767 HG13 ILE 104 3HG1 ILE 104 4.094 -6.855 2.429 768 HG21 ILE 104 1HG2 ILE 104 0.724 -7.074 0.796 769 HG22 ILE 104 2HG2 ILE 104 1.374 -8.566 1.498 770 HG23 ILE 104 3HG2 ILE 104 1.508 -7.022 2.369 771 HD11 ILE 104 1HD1 ILE 104 3.381 -8.952 3.133 772 HD12 ILE 104 2HD1 ILE 104 3.708 -9.725 1.558 773 HD13 ILE 104 3HD1 ILE 104 5.024 -9.243 2.581 774 H ALA 105 HN ALA 105 2.948 -5.299 -1.561 775 HA ALA 105 HA ALA 105 5.735 -5.400 -2.629 776 HB1 ALA 105 1HB ALA 105 4.055 -5.362 -4.394 777 HB2 ALA 105 2HB ALA 105 3.240 -3.956 -3.640 778 HB3 ALA 105 3HB ALA 105 4.833 -3.774 -4.353 779 H GLU 106 HN GLU 106 4.758 -4.473 0.095 780 HA GLU 106 HA GLU 106 4.995 -1.592 -0.328 781 HB2 GLU 106 2HB GLU 106 4.292 -3.063 2.178 782 HB3 GLU 106 3HB GLU 106 4.274 -1.303 1.919 783 HG2 GLU 106 2HG GLU 106 2.395 -1.390 0.582 784 HG3 GLU 106 3HG GLU 106 2.774 -2.960 -0.107 785 HA PRO 107 HA PRO 107 9.192 -1.445 1.454 786 HB2 PRO 107 2HB PRO 107 9.383 1.319 1.620 787 HB3 PRO 107 3HB PRO 107 9.614 0.374 0.129 788 HG2 PRO 107 2HG PRO 107 7.190 1.985 0.910 789 HG3 PRO 107 3HG PRO 107 7.891 1.700 -0.691 790 HD2 PRO 107 2HD PRO 107 5.692 0.326 0.493 791 HD3 PRO 107 3HD PRO 107 6.684 -0.203 -0.932 792 H PHE 108 HN PHE 108 10.019 0.149 3.476 793 HA PHE 108 HA PHE 108 7.997 -0.175 5.567 794 HB2 PHE 108 2HB PHE 108 10.907 -1.033 5.828 795 HB3 PHE 108 3HB PHE 108 9.673 -1.149 7.066 796 HD1 PHE 108 1HD PHE 108 8.224 -3.059 7.281 797 HD2 PHE 108 2HD PHE 108 10.451 -2.363 3.677 798 HE1 PHE 108 1HE PHE 108 8.124 -5.469 6.715 799 HE2 PHE 108 2HE PHE 108 10.047 -4.736 2.979 800 HZ PHE 108 HZ PHE 108 8.887 -6.286 4.489 801 H SER 109 HN SER 109 8.949 2.076 4.147 802 HA SER 109 HA SER 109 9.529 4.238 4.360 803 HB2 SER 109 2HB SER 109 8.253 3.842 6.577 804 HB3 SER 109 3HB SER 109 9.822 3.871 7.323 805 HG SER 109 HG SER 109 8.473 5.850 5.853 806 H ASN 110 HN ASN 110 11.509 5.519 5.919 807 HA ASN 110 HA ASN 110 13.787 5.003 4.326 808 HB2 ASN 110 2HB ASN 110 13.617 6.362 7.060 809 HB3 ASN 110 3HB ASN 110 15.036 6.343 6.019 810 HD21 ASN 110 1HD2 ASN 110 12.261 8.150 6.784 811 HD22 ASN 110 2HD2 ASN 110 12.217 9.132 5.332 812 H TYR 111 HN TYR 111 14.747 3.037 4.300 813 HA TYR 111 HA TYR 111 15.660 1.077 4.919 814 HB2 TYR 111 2HB TYR 111 17.725 1.519 6.347 815 HB3 TYR 111 3HB TYR 111 17.534 2.326 4.812 816 HD1 TYR 111 1HD TYR 111 16.972 2.902 8.466 817 HD2 TYR 111 2HD TYR 111 17.682 4.668 4.620 818 HE1 TYR 111 1HE TYR 111 16.998 5.101 9.516 819 HE2 TYR 111 2HE TYR 111 17.801 6.912 5.648 820 HH TYR 111 HH TYR 111 17.200 8.117 7.564 821 H ASN 112 HN ASN 112 13.250 1.394 6.378 822 HA ASN 112 HA ASN 112 12.035 0.457 8.008 823 HB2 ASN 112 2HB ASN 112 14.121 -1.361 9.113 824 HB3 ASN 112 3HB ASN 112 12.390 -1.547 8.958 825 HD21 ASN 112 1HD2 ASN 112 15.380 -1.424 6.975 826 HD22 ASN 112 2HD2 ASN 112 14.790 -2.569 5.775 827 HA PRO 113 HA PRO 113 14.167 3.215 11.009 828 HB2 PRO 113 2HB PRO 113 12.325 5.131 11.253 829 HB3 PRO 113 3HB PRO 113 13.330 4.990 9.773 830 HG2 PRO 113 2HG PRO 113 10.472 4.115 10.222 831 HG3 PRO 113 3HG PRO 113 11.193 4.929 8.795 832 HD2 PRO 113 2HD PRO 113 10.787 2.170 9.091 833 HD3 PRO 113 3HD PRO 113 11.919 2.910 7.928 834 H PHE 114 HN PHE 114 11.261 1.502 11.244 835 HA PHE 114 HA PHE 114 9.876 2.358 13.433 836 HB2 PHE 114 2HB PHE 114 8.945 0.161 13.649 837 HB3 PHE 114 3HB PHE 114 9.157 0.500 11.948 838 HD1 PHE 114 1HD PHE 114 9.361 -2.038 14.266 839 HD2 PHE 114 2HD PHE 114 11.798 -0.327 11.147 840 HE1 PHE 114 1HE PHE 114 10.514 -4.201 13.990 841 HE2 PHE 114 2HE PHE 114 13.012 -2.475 10.955 842 HZ PHE 114 HZ PHE 114 12.349 -4.415 12.325 Start of MODEL 2 1 H THR 2 HN THR 2 8.055 -22.344 0.411 2 HA THR 2 HA THR 2 9.010 -19.737 1.481 3 HB THR 2 HB THR 2 11.283 -20.726 0.827 4 HG1 THR 2 1HG THR 2 10.811 -22.528 -0.291 5 HG21 THR 2 1HG2 THR 2 11.531 -21.881 2.929 6 HG22 THR 2 2HG2 THR 2 9.788 -22.186 3.046 7 HG23 THR 2 3HG2 THR 2 10.413 -20.527 3.177 8 H SER 3 HN SER 3 8.346 -18.224 -0.015 9 HA SER 3 HA SER 3 8.610 -18.846 -2.900 10 HB2 SER 3 2HB SER 3 7.811 -16.256 -1.499 11 HB3 SER 3 3HB SER 3 7.819 -16.563 -3.255 12 HG SER 3 HG SER 3 5.730 -16.968 -2.477 13 H LEU 4 HN LEU 4 10.021 -17.706 -4.242 14 HA LEU 4 HA LEU 4 12.462 -16.632 -2.998 15 HB2 LEU 4 2HB LEU 4 13.734 -17.806 -4.699 16 HB3 LEU 4 3HB LEU 4 12.933 -18.826 -3.516 17 HG LEU 4 HG LEU 4 11.268 -19.542 -5.053 18 HD11 LEU 4 1HD1 LEU 4 12.294 -17.329 -6.812 19 HD12 LEU 4 2HD1 LEU 4 10.729 -17.439 -6.019 20 HD13 LEU 4 3HD1 LEU 4 11.096 -18.549 -7.360 21 HD21 LEU 4 1HD2 LEU 4 12.576 -20.517 -6.897 22 HD22 LEU 4 2HD2 LEU 4 13.539 -20.551 -5.412 23 HD23 LEU 4 3HD2 LEU 4 13.874 -19.332 -6.648 24 H GLN 5 HN GLN 5 10.077 -15.255 -4.327 25 HA GLN 5 HA GLN 5 11.559 -13.445 -6.109 26 HB2 GLN 5 2HB GLN 5 9.513 -15.410 -6.871 27 HB3 GLN 5 3HB GLN 5 9.163 -13.754 -7.379 28 HG2 GLN 5 2HG GLN 5 11.335 -13.597 -8.456 29 HG3 GLN 5 3HG GLN 5 11.607 -15.332 -8.145 30 HE21 GLN 5 1HE2 GLN 5 11.090 -13.673 -10.703 31 HE22 GLN 5 2HE2 GLN 5 9.758 -14.507 -11.513 32 H LEU 6 HN LEU 6 10.939 -11.390 -5.464 33 HA LEU 6 HA LEU 6 8.165 -10.913 -4.765 34 HB2 LEU 6 2HB LEU 6 8.795 -9.676 -2.694 35 HB3 LEU 6 3HB LEU 6 8.870 -11.409 -2.609 36 HG LEU 6 HG LEU 6 10.692 -10.137 -1.472 37 HD11 LEU 6 1HD1 LEU 6 11.898 -12.070 -3.468 38 HD12 LEU 6 2HD1 LEU 6 10.880 -12.576 -2.105 39 HD13 LEU 6 3HD1 LEU 6 12.390 -11.704 -1.809 40 HD21 LEU 6 1HD2 LEU 6 11.740 -9.661 -4.266 41 HD22 LEU 6 2HD2 LEU 6 12.594 -9.306 -2.743 42 HD23 LEU 6 3HD2 LEU 6 11.103 -8.434 -3.165 43 H SER 7 HN SER 7 10.177 -10.189 -6.919 44 HA SER 7 HA SER 7 11.012 -7.672 -7.040 45 HB2 SER 7 2HB SER 7 9.541 -9.054 -9.309 46 HB3 SER 7 3HB SER 7 10.928 -7.957 -9.419 47 HG SER 7 HG SER 7 12.192 -9.587 -9.036 48 H ILE 8 HN ILE 8 10.136 -5.732 -6.748 49 HA ILE 8 HA ILE 8 7.365 -5.140 -7.601 50 HB ILE 8 HB ILE 8 8.893 -3.590 -5.488 51 HG12 ILE 8 2HG1 ILE 8 8.769 -5.830 -4.572 52 HG13 ILE 8 3HG1 ILE 8 7.700 -4.765 -3.733 53 HG21 ILE 8 1HG2 ILE 8 5.993 -3.721 -6.396 54 HG22 ILE 8 2HG2 ILE 8 6.402 -3.169 -4.755 55 HG23 ILE 8 3HG2 ILE 8 7.024 -2.294 -6.123 56 HD11 ILE 8 1HD1 ILE 8 5.731 -5.668 -4.845 57 HD12 ILE 8 2HD1 ILE 8 6.728 -6.742 -5.848 58 HD13 ILE 8 3HD1 ILE 8 6.646 -6.983 -4.099 59 H VAL 9 HN VAL 9 7.585 -2.324 -7.730 60 HA VAL 9 HA VAL 9 9.606 -1.675 -9.704 61 HB VAL 9 HB VAL 9 6.700 -1.266 -10.463 62 HG11 VAL 9 1HG1 VAL 9 8.335 -0.142 -11.878 63 HG12 VAL 9 2HG1 VAL 9 9.242 -1.654 -12.093 64 HG13 VAL 9 3HG1 VAL 9 7.620 -1.456 -12.789 65 HG21 VAL 9 1HG2 VAL 9 6.722 -3.652 -10.075 66 HG22 VAL 9 2HG2 VAL 9 6.539 -3.276 -11.776 67 HG23 VAL 9 3HG2 VAL 9 8.104 -3.860 -11.159 68 H HIS 10 HN HIS 10 8.794 0.739 -10.400 69 HA HIS 10 HA HIS 10 8.052 2.811 -9.992 70 HB2 HIS 10 2HB HIS 10 6.109 1.393 -8.648 71 HB3 HIS 10 3HB HIS 10 6.762 2.367 -7.351 72 HD1 HIS 10 1HD HIS 10 5.772 3.040 -11.048 73 HD2 HIS 10 2HD HIS 10 5.220 4.515 -7.137 74 HE1 HIS 10 1HE HIS 10 4.234 5.055 -11.249 75 H ARG 11 HN ARG 11 8.082 4.449 -7.844 76 HA ARG 11 HA ARG 11 10.089 3.644 -6.002 77 HB2 ARG 11 2HB ARG 11 11.178 5.121 -8.016 78 HB3 ARG 11 3HB ARG 11 10.657 6.442 -6.967 79 HG2 ARG 11 2HG ARG 11 11.988 5.533 -5.114 80 HG3 ARG 11 3HG ARG 11 12.268 4.031 -5.996 81 HD2 ARG 11 2HD ARG 11 13.533 5.385 -7.736 82 HD3 ARG 11 3HD ARG 11 13.412 6.766 -6.649 83 HE ARG 11 HE ARG 11 15.012 5.886 -5.268 84 HH11 ARG 11 1HH1 ARG 11 13.963 3.352 -7.505 85 HH12 ARG 11 2HH1 ARG 11 15.233 2.259 -7.194 86 HH21 ARG 11 1HH2 ARG 11 16.935 4.507 -4.956 87 HH22 ARG 11 2HH2 ARG 11 16.875 2.878 -5.525 88 H LEU 12 HN LEU 12 10.191 6.062 -4.597 89 HA LEU 12 HA LEU 12 8.397 5.100 -2.825 90 HB2 LEU 12 2HB LEU 12 10.175 7.505 -2.995 91 HB3 LEU 12 3HB LEU 12 8.929 7.594 -1.775 92 HG LEU 12 HG LEU 12 9.668 5.371 -0.879 93 HD11 LEU 12 1HD1 LEU 12 12.041 5.727 -2.756 94 HD12 LEU 12 2HD1 LEU 12 10.795 4.452 -2.895 95 HD13 LEU 12 3HD1 LEU 12 11.847 4.476 -1.502 96 HD21 LEU 12 1HD2 LEU 12 11.873 7.455 -0.966 97 HD22 LEU 12 2HD2 LEU 12 11.557 6.234 0.290 98 HD23 LEU 12 3HD2 LEU 12 10.426 7.569 0.053 99 HA PRO 13 HA PRO 13 4.456 6.964 -3.076 100 HB2 PRO 13 2HB PRO 13 3.857 7.805 -0.525 101 HB3 PRO 13 3HB PRO 13 3.847 6.091 -1.077 102 HG2 PRO 13 2HG PRO 13 6.075 7.560 0.363 103 HG3 PRO 13 3HG PRO 13 5.389 5.951 0.754 104 HD2 PRO 13 2HD PRO 13 7.629 6.147 -0.667 105 HD3 PRO 13 3HD PRO 13 6.389 4.957 -1.155 106 H GLN 14 HN GLN 14 3.707 8.861 -3.760 107 HA GLN 14 HA GLN 14 5.094 11.383 -3.560 108 HB2 GLN 14 2HB GLN 14 2.310 10.516 -4.451 109 HB3 GLN 14 3HB GLN 14 2.853 12.177 -4.591 110 HG2 GLN 14 2HG GLN 14 4.507 9.959 -5.851 111 HG3 GLN 14 3HG GLN 14 3.051 10.561 -6.646 112 HE21 GLN 14 1HE2 GLN 14 6.446 11.166 -6.209 113 HE22 GLN 14 2HE2 GLN 14 6.420 12.817 -6.835 114 H ASN 15 HN ASN 15 3.330 13.275 -2.956 115 HA ASN 15 HA ASN 15 2.270 12.730 -0.247 116 HB2 ASN 15 2HB ASN 15 2.505 14.921 0.428 117 HB3 ASN 15 3HB ASN 15 4.080 14.421 -0.132 118 HD21 ASN 15 1HD2 ASN 15 4.122 15.083 -2.945 119 HD22 ASN 15 2HD2 ASN 15 3.774 16.773 -3.014 120 H TYR 16 HN TYR 16 0.103 12.382 -0.479 121 HA TYR 16 HA TYR 16 -1.402 14.091 -2.295 122 HB2 TYR 16 2HB TYR 16 -2.308 12.291 -3.608 123 HB3 TYR 16 3HB TYR 16 -0.582 12.156 -3.718 124 HD1 TYR 16 1HD TYR 16 -3.615 10.593 -3.080 125 HD2 TYR 16 2HD TYR 16 0.555 10.331 -1.996 126 HE1 TYR 16 1HE TYR 16 -4.010 8.340 -2.079 127 HE2 TYR 16 2HE TYR 16 0.184 8.096 -1.090 128 HH TYR 16 HH TYR 16 -1.544 6.390 -0.461 129 H ARG 17 HN ARG 17 -3.830 13.342 -1.928 130 HA ARG 17 HA ARG 17 -4.273 11.990 0.624 131 HB2 ARG 17 2HB ARG 17 -5.392 13.827 1.696 132 HB3 ARG 17 3HB ARG 17 -3.730 14.252 1.334 133 HG2 ARG 17 2HG ARG 17 -4.521 15.632 -0.616 134 HG3 ARG 17 3HG ARG 17 -6.181 15.244 -0.138 135 HD2 ARG 17 2HD ARG 17 -5.496 16.099 2.221 136 HD3 ARG 17 3HD ARG 17 -4.089 16.813 1.407 137 HE ARG 17 HE ARG 17 -6.471 17.522 0.024 138 HH11 ARG 17 1HH1 ARG 17 -4.762 18.327 3.058 139 HH12 ARG 17 2HH1 ARG 17 -5.535 19.870 3.224 140 HH21 ARG 17 1HH2 ARG 17 -7.778 19.333 0.554 141 HH22 ARG 17 2HH2 ARG 17 -7.167 20.531 1.660 142 H TRP 18 HN TRP 18 -6.934 12.384 1.012 143 HA TRP 18 HA TRP 18 -8.182 11.250 -1.370 144 HB2 TRP 18 2HB TRP 18 -9.574 12.422 1.064 145 HB3 TRP 18 3HB TRP 18 -10.149 11.162 -0.015 146 HD1 TRP 18 1HD TRP 18 -9.297 11.416 3.331 147 HE1 TRP 18 1HE TRP 18 -8.150 9.373 4.339 148 HE3 TRP 18 3HE TRP 18 -7.915 8.994 -0.942 149 HZ2 TRP 18 2HZ TRP 18 -7.190 6.810 3.454 150 HZ3 TRP 18 3HZ TRP 18 -6.926 6.716 -0.847 151 HH2 TRP 18 2HH TRP 18 -6.575 5.609 1.361 152 H SER 19 HN SER 19 -9.815 12.459 -2.691 153 HA SER 19 HA SER 19 -9.488 15.398 -2.588 154 HB2 SER 19 2HB SER 19 -9.754 13.719 -4.677 155 HB3 SER 19 3HB SER 19 -11.442 14.215 -4.497 156 HG SER 19 HG SER 19 -10.644 16.418 -4.598 157 H ALA 20 HN ALA 20 -10.804 13.822 -0.421 158 HA ALA 20 HA ALA 20 -12.575 13.777 0.963 159 HB1 ALA 20 1HB ALA 20 -11.523 15.959 1.306 160 HB2 ALA 20 2HB ALA 20 -12.514 16.672 0.021 161 HB3 ALA 20 3HB ALA 20 -13.268 16.133 1.521 162 H GLY 21 HN GLY 21 -13.407 13.366 -2.006 163 HA2 GLY 21 2HA GLY 21 -16.329 13.928 -1.773 164 HA3 GLY 21 1HA GLY 21 -15.392 13.664 -3.267 165 H PHE 22 HN PHE 22 -13.898 11.355 -2.113 166 HA PHE 22 HA PHE 22 -15.914 9.275 -1.766 167 HB2 PHE 22 2HB PHE 22 -14.044 8.722 -4.035 168 HB3 PHE 22 3HB PHE 22 -15.619 8.127 -3.747 169 HD1 PHE 22 1HD PHE 22 -17.515 9.079 -4.897 170 HD2 PHE 22 2HD PHE 22 -13.692 11.075 -4.985 171 HE1 PHE 22 1HE PHE 22 -18.286 10.517 -6.771 172 HE2 PHE 22 2HE PHE 22 -14.474 12.503 -6.834 173 HZ PHE 22 HZ PHE 22 -16.768 12.227 -7.732 174 H ALA 23 HN ALA 23 -14.751 9.209 0.273 175 HA ALA 23 HA ALA 23 -11.983 9.260 0.608 176 HB1 ALA 23 1HB ALA 23 -12.346 8.362 2.824 177 HB2 ALA 23 2HB ALA 23 -13.661 9.490 2.423 178 HB3 ALA 23 3HB ALA 23 -13.946 7.742 2.355 179 H GLY 24 HN GLY 24 -13.919 6.389 -0.281 180 HA2 GLY 24 2HA GLY 24 -11.676 4.586 0.345 181 HA3 GLY 24 1HA GLY 24 -13.333 4.154 -0.080 182 H SER 25 HN SER 25 -12.938 6.220 -2.451 183 HA SER 25 HA SER 25 -11.101 4.780 -4.234 184 HB2 SER 25 2HB SER 25 -14.092 4.951 -4.748 185 HB3 SER 25 3HB SER 25 -12.870 4.514 -5.954 186 HG SER 25 HG SER 25 -14.006 2.981 -4.035 187 H LYS 26 HN LYS 26 -10.307 7.016 -3.477 188 HA LYS 26 HA LYS 26 -10.393 8.631 -5.885 189 HB2 LYS 26 2HB LYS 26 -12.208 9.665 -4.512 190 HB3 LYS 26 3HB LYS 26 -11.027 9.955 -3.254 191 HG2 LYS 26 2HG LYS 26 -11.343 11.945 -4.436 192 HG3 LYS 26 3HG LYS 26 -9.711 11.387 -4.742 193 HD2 LYS 26 2HD LYS 26 -11.028 10.399 -6.964 194 HD3 LYS 26 3HD LYS 26 -12.027 11.808 -6.575 195 HE2 LYS 26 2HE LYS 26 -9.628 12.996 -6.381 196 HE3 LYS 26 3HE LYS 26 -9.094 11.612 -7.327 197 HZ1 LYS 26 1HZ LYS 26 -10.526 12.238 -9.065 198 HZ2 LYS 26 2HZ LYS 26 -9.656 13.572 -8.584 199 HZ3 LYS 26 3HZ LYS 26 -11.248 13.436 -8.192 200 H VAL 27 HN VAL 27 -8.276 9.573 -6.109 201 HA VAL 27 HA VAL 27 -6.816 10.169 -3.641 202 HB VAL 27 HB VAL 27 -4.696 9.327 -4.635 203 HG11 VAL 27 1HG1 VAL 27 -6.704 7.056 -4.347 204 HG12 VAL 27 2HG1 VAL 27 -4.970 7.051 -3.986 205 HG13 VAL 27 3HG1 VAL 27 -6.073 7.991 -2.976 206 HG21 VAL 27 1HG2 VAL 27 -6.415 7.817 -6.658 207 HG22 VAL 27 2HG2 VAL 27 -5.363 9.191 -7.041 208 HG23 VAL 27 3HG2 VAL 27 -4.665 7.686 -6.441 209 H GLU 28 HN GLU 28 -5.561 12.142 -3.841 210 HA GLU 28 HA GLU 28 -5.340 13.239 -6.565 211 HB2 GLU 28 2HB GLU 28 -7.578 13.864 -5.248 212 HB3 GLU 28 3HB GLU 28 -6.523 14.886 -4.279 213 HG2 GLU 28 2HG GLU 28 -7.493 16.244 -5.978 214 HG3 GLU 28 3HG GLU 28 -5.804 16.005 -6.434 215 HA PRO 29 HA PRO 29 -1.509 14.272 -4.471 216 HB2 PRO 29 2HB PRO 29 -0.247 15.812 -6.358 217 HB3 PRO 29 3HB PRO 29 -0.476 14.050 -6.492 218 HG2 PRO 29 2HG PRO 29 -2.178 16.246 -7.701 219 HG3 PRO 29 3HG PRO 29 -1.535 14.775 -8.497 220 HD2 PRO 29 2HD PRO 29 -4.062 14.865 -7.576 221 HD3 PRO 29 3HD PRO 29 -3.092 13.376 -7.355 222 H ILE 30 HN ILE 30 -0.092 16.125 -3.721 223 HA ILE 30 HA ILE 30 -1.831 18.411 -2.938 224 HB ILE 30 HB ILE 30 0.531 17.106 -1.577 225 HG12 ILE 30 2HG1 ILE 30 -2.305 17.411 -0.511 226 HG13 ILE 30 3HG1 ILE 30 -1.834 16.025 -1.477 227 HG21 ILE 30 1HG2 ILE 30 -1.098 19.617 -0.941 228 HG22 ILE 30 2HG2 ILE 30 -0.084 18.811 0.283 229 HG23 ILE 30 3HG2 ILE 30 0.665 19.514 -1.147 230 HD11 ILE 30 1HD1 ILE 30 -0.639 16.819 1.200 231 HD12 ILE 30 2HD1 ILE 30 -1.586 15.378 0.803 232 HD13 ILE 30 3HD1 ILE 30 0.053 15.566 0.150 233 HA PRO 31 HA PRO 31 1.342 20.706 -5.363 234 HB2 PRO 31 2HB PRO 31 -0.269 22.647 -6.376 235 HB3 PRO 31 3HB PRO 31 -0.215 21.004 -7.067 236 HG2 PRO 31 2HG PRO 31 -2.232 22.136 -5.113 237 HG3 PRO 31 3HG PRO 31 -2.547 21.206 -6.606 238 HD2 PRO 31 2HD PRO 31 -2.477 20.076 -4.099 239 HD3 PRO 31 3HD PRO 31 -1.971 19.188 -5.567 240 H GLN 32 HN GLN 32 2.229 21.145 -3.230 241 HA GLN 32 HA GLN 32 2.925 22.487 -1.517 242 HB2 GLN 32 2HB GLN 32 3.379 23.710 -3.790 243 HB3 GLN 32 3HB GLN 32 2.071 24.785 -3.316 244 HG2 GLN 32 2HG GLN 32 3.449 25.141 -1.137 245 HG3 GLN 32 3HG GLN 32 4.759 24.345 -1.980 246 HE21 GLN 32 1HE2 GLN 32 6.153 25.837 -3.135 247 HE22 GLN 32 2HE2 GLN 32 5.601 27.439 -3.570 248 H ASN 33 HN ASN 33 -0.027 21.902 -1.460 249 HA ASN 33 HA ASN 33 -1.462 24.166 -0.711 250 HB2 ASN 33 2HB ASN 33 -1.901 21.309 0.328 251 HB3 ASN 33 3HB ASN 33 -3.002 22.643 0.586 252 HD21 ASN 33 1HD2 ASN 33 -1.841 23.109 -2.635 253 HD22 ASN 33 2HD2 ASN 33 -3.209 22.350 -3.345 254 H GLY 34 HN GLY 34 0.432 22.057 1.437 255 HA2 GLY 34 2HA GLY 34 0.647 23.501 3.806 256 HA3 GLY 34 1HA GLY 34 -1.043 23.017 3.751 257 HA PRO 35 HA PRO 35 1.488 18.912 4.348 258 HB2 PRO 35 2HB PRO 35 4.043 19.207 5.311 259 HB3 PRO 35 3HB PRO 35 3.695 19.166 3.561 260 HG2 PRO 35 2HG PRO 35 4.047 21.584 5.341 261 HG3 PRO 35 3HG PRO 35 4.832 21.259 3.772 262 HD2 PRO 35 2HD PRO 35 2.622 22.828 4.098 263 HD3 PRO 35 3HD PRO 35 2.843 21.849 2.619 264 H CYS 36 HN CYS 36 2.227 17.980 6.566 265 HA CYS 36 HA CYS 36 2.283 19.951 8.728 266 HB2 CYS 36 2HB CYS 36 -0.106 19.210 8.532 267 HB3 CYS 36 3HB CYS 36 0.387 17.586 9.012 268 HG CYS 36 HG CYS 36 1.066 18.044 11.367 269 H GLY 37 HN GLY 37 2.539 16.446 7.880 270 HA2 GLY 37 2HA GLY 37 5.296 16.226 8.331 271 HA3 GLY 37 1HA GLY 37 4.456 15.797 9.844 272 H ASP 38 HN ASP 38 4.047 13.703 10.039 273 HA ASP 38 HA ASP 38 4.297 11.881 7.764 274 HB2 ASP 38 2HB ASP 38 3.867 11.027 10.615 275 HB3 ASP 38 3HB ASP 38 4.768 10.235 9.329 276 H ASN 39 HN ASN 39 1.766 13.613 8.688 277 HA ASN 39 HA ASN 39 -0.216 11.392 8.494 278 HB2 ASN 39 2HB ASN 39 -0.387 14.162 9.695 279 HB3 ASN 39 3HB ASN 39 -1.835 13.454 8.999 280 HD21 ASN 39 1HD2 ASN 39 -2.019 10.898 9.576 281 HD22 ASN 39 2HD2 ASN 39 -2.006 10.625 11.298 282 H SER 40 HN SER 40 0.641 11.327 6.317 283 HA SER 40 HA SER 40 -1.200 12.802 4.618 284 HB2 SER 40 2HB SER 40 1.374 13.579 4.359 285 HB3 SER 40 3HB SER 40 1.401 12.189 3.256 286 HG SER 40 HG SER 40 0.742 14.558 2.715 287 H LEU 41 HN LEU 41 -0.527 11.146 2.283 288 HA LEU 41 HA LEU 41 -1.174 8.450 3.396 289 HB2 LEU 41 2HB LEU 41 -2.072 9.693 0.788 290 HB3 LEU 41 3HB LEU 41 -2.269 7.995 1.253 291 HG LEU 41 HG LEU 41 -3.555 10.334 2.663 292 HD11 LEU 41 1HD1 LEU 41 -5.580 9.564 1.664 293 HD12 LEU 41 2HD1 LEU 41 -4.757 8.167 0.933 294 HD13 LEU 41 3HD1 LEU 41 -4.391 9.801 0.368 295 HD21 LEU 41 1HD2 LEU 41 -4.842 8.481 3.845 296 HD22 LEU 41 2HD2 LEU 41 -3.132 8.511 4.289 297 HD23 LEU 41 3HD2 LEU 41 -3.718 7.307 3.124 298 H VAL 42 HN VAL 42 -0.337 6.668 2.131 299 HA VAL 42 HA VAL 42 1.817 7.357 0.216 300 HB VAL 42 HB VAL 42 3.163 5.522 1.068 301 HG11 VAL 42 1HG1 VAL 42 4.081 6.687 2.981 302 HG12 VAL 42 2HG1 VAL 42 3.500 7.889 1.804 303 HG13 VAL 42 3HG1 VAL 42 2.542 7.535 3.245 304 HG21 VAL 42 1HG2 VAL 42 1.822 3.995 2.109 305 HG22 VAL 42 2HG2 VAL 42 2.778 4.674 3.411 306 HG23 VAL 42 3HG2 VAL 42 1.084 5.173 3.219 307 H ALA 43 HN ALA 43 2.105 5.743 -1.491 308 HA ALA 43 HA ALA 43 -0.264 4.078 -2.063 309 HB1 ALA 43 1HB ALA 43 -0.223 5.205 -4.355 310 HB2 ALA 43 2HB ALA 43 -0.844 6.224 -3.068 311 HB3 ALA 43 3HB ALA 43 0.820 6.446 -3.654 312 H LEU 44 HN LEU 44 0.567 2.158 -2.774 313 HA LEU 44 HA LEU 44 3.362 2.105 -3.816 314 HB2 LEU 44 2HB LEU 44 2.054 0.389 -1.657 315 HB3 LEU 44 3HB LEU 44 3.490 -0.101 -2.528 316 HG LEU 44 HG LEU 44 4.128 0.719 -0.407 317 HD11 LEU 44 1HD1 LEU 44 4.944 2.847 -2.420 318 HD12 LEU 44 2HD1 LEU 44 5.620 1.212 -2.328 319 HD13 LEU 44 3HD1 LEU 44 5.827 2.316 -0.971 320 HD21 LEU 44 1HD2 LEU 44 3.735 2.857 0.525 321 HD22 LEU 44 2HD2 LEU 44 2.151 2.326 -0.070 322 HD23 LEU 44 3HD2 LEU 44 3.121 3.520 -0.976 323 H LYS 45 HN LYS 45 3.649 0.804 -5.525 324 HA LYS 45 HA LYS 45 1.259 -0.553 -6.710 325 HB2 LYS 45 2HB LYS 45 3.722 0.792 -7.919 326 HB3 LYS 45 3HB LYS 45 2.799 -0.425 -8.797 327 HG2 LYS 45 2HG LYS 45 2.105 1.808 -9.456 328 HG3 LYS 45 3HG LYS 45 0.775 0.918 -8.703 329 HD2 LYS 45 2HD LYS 45 1.014 2.180 -6.643 330 HD3 LYS 45 3HD LYS 45 2.463 3.016 -7.265 331 HE2 LYS 45 2HE LYS 45 1.121 4.149 -8.955 332 HE3 LYS 45 3HE LYS 45 -0.276 3.118 -8.592 333 HZ1 LYS 45 1HZ LYS 45 0.887 5.127 -6.762 334 HZ2 LYS 45 2HZ LYS 45 -0.382 4.099 -6.403 335 HZ3 LYS 45 3HZ LYS 45 -0.513 5.251 -7.580 336 H LEU 46 HN LEU 46 1.354 -2.654 -6.314 337 HA LEU 46 HA LEU 46 3.845 -4.094 -5.718 338 HB2 LEU 46 2HB LEU 46 1.954 -4.724 -4.468 339 HB3 LEU 46 3HB LEU 46 0.896 -4.694 -5.836 340 HG LEU 46 HG LEU 46 1.877 -6.838 -6.673 341 HD11 LEU 46 1HD1 LEU 46 4.101 -6.973 -5.704 342 HD12 LEU 46 2HD1 LEU 46 3.145 -8.205 -4.917 343 HD13 LEU 46 3HD1 LEU 46 3.490 -6.684 -4.084 344 HD21 LEU 46 1HD2 LEU 46 -0.161 -6.805 -5.368 345 HD22 LEU 46 2HD2 LEU 46 0.755 -6.782 -3.852 346 HD23 LEU 46 3HD2 LEU 46 0.801 -8.205 -4.927 347 H LEU 47 HN LEU 47 3.989 -6.226 -7.160 348 HA LEU 47 HA LEU 47 2.844 -5.953 -9.774 349 HB2 LEU 47 2HB LEU 47 5.156 -4.975 -9.952 350 HB3 LEU 47 3HB LEU 47 5.824 -6.564 -9.632 351 HG LEU 47 HG LEU 47 5.878 -6.040 -11.981 352 HD11 LEU 47 1HD1 LEU 47 4.845 -7.888 -13.030 353 HD12 LEU 47 2HD1 LEU 47 3.628 -8.060 -11.784 354 HD13 LEU 47 3HD1 LEU 47 5.340 -8.432 -11.424 355 HD21 LEU 47 1HD2 LEU 47 4.024 -4.402 -12.016 356 HD22 LEU 47 2HD2 LEU 47 2.851 -5.725 -11.964 357 HD23 LEU 47 3HD2 LEU 47 3.929 -5.558 -13.355 358 H SER 48 HN SER 48 5.140 -7.967 -7.732 359 HA SER 48 HA SER 48 3.188 -10.128 -7.870 360 HB2 SER 48 2HB SER 48 5.940 -10.165 -9.142 361 HB3 SER 48 3HB SER 48 5.101 -11.669 -8.700 362 HG SER 48 HG SER 48 3.600 -9.808 -10.131 363 HA PRO 49 HA PRO 49 3.521 -12.491 -7.355 364 HB2 PRO 49 2HB PRO 49 2.657 -13.968 -5.251 365 HB3 PRO 49 3HB PRO 49 4.273 -14.162 -5.957 366 HG2 PRO 49 2HG PRO 49 3.492 -12.625 -3.478 367 HG3 PRO 49 3HG PRO 49 4.896 -13.705 -3.710 368 HD2 PRO 49 2HD PRO 49 5.042 -10.947 -3.910 369 HD3 PRO 49 3HD PRO 49 6.124 -12.057 -4.801 370 H ASP 50 HN ASP 50 1.106 -12.997 -7.156 371 HA ASP 50 HA ASP 50 -0.506 -10.848 -5.937 372 HB2 ASP 50 2HB ASP 50 0.543 -10.260 -8.257 373 HB3 ASP 50 3HB ASP 50 -0.530 -11.476 -8.917 374 H GLY 51 HN GLY 51 -2.818 -11.697 -7.442 375 HA2 GLY 51 2HA GLY 51 -3.885 -13.663 -8.294 376 HA3 GLY 51 1HA GLY 51 -3.032 -14.653 -7.119 377 H ASP 52 HN ASP 52 -5.780 -14.540 -7.597 378 HA ASP 52 HA ASP 52 -7.538 -13.046 -6.199 379 HB2 ASP 52 2HB ASP 52 -7.517 -16.074 -6.570 380 HB3 ASP 52 3HB ASP 52 -8.902 -15.179 -5.964 381 H ASN 53 HN ASN 53 -5.620 -15.697 -4.908 382 HA ASN 53 HA ASN 53 -6.849 -15.995 -2.361 383 HB2 ASN 53 2HB ASN 53 -3.958 -16.502 -3.240 384 HB3 ASN 53 3HB ASN 53 -4.596 -16.894 -1.637 385 HD21 ASN 53 1HD2 ASN 53 -4.846 -17.739 -5.121 386 HD22 ASN 53 2HD2 ASN 53 -5.634 -19.257 -4.842 387 H ALA 54 HN ALA 54 -4.136 -13.880 -3.393 388 HA ALA 54 HA ALA 54 -3.589 -12.968 -0.653 389 HB1 ALA 54 1HB ALA 54 -1.785 -13.161 -2.438 390 HB2 ALA 54 2HB ALA 54 -2.612 -11.912 -3.386 391 HB3 ALA 54 3HB ALA 54 -1.928 -11.509 -1.797 392 H TRP 55 HN TRP 55 -5.211 -11.626 -3.598 393 HA TRP 55 HA TRP 55 -6.142 -9.101 -2.500 394 HB2 TRP 55 2HB TRP 55 -7.279 -11.142 -4.487 395 HB3 TRP 55 3HB TRP 55 -8.118 -9.649 -4.045 396 HD1 TRP 55 1HD TRP 55 -5.360 -10.873 -6.256 397 HE1 TRP 55 1HE TRP 55 -3.938 -9.005 -7.109 398 HE3 TRP 55 3HE TRP 55 -7.400 -7.200 -3.492 399 HZ2 TRP 55 2HZ TRP 55 -3.944 -6.014 -6.896 400 HZ3 TRP 55 3HZ TRP 55 -6.643 -4.770 -3.834 401 HH2 TRP 55 2HH TRP 55 -4.901 -4.233 -5.482 402 H SER 56 HN SER 56 -7.653 -12.392 -2.335 403 HA SER 56 HA SER 56 -9.846 -11.415 -0.998 404 HB2 SER 56 2HB SER 56 -9.762 -13.597 -2.088 405 HB3 SER 56 3HB SER 56 -8.440 -14.145 -1.080 406 HG SER 56 HG SER 56 -10.368 -15.102 -0.551 407 H VAL 57 HN VAL 57 -6.995 -13.099 0.472 408 HA VAL 57 HA VAL 57 -7.748 -12.701 3.156 409 HB VAL 57 HB VAL 57 -5.313 -13.151 3.633 410 HG11 VAL 57 1HG1 VAL 57 -5.355 -15.418 2.748 411 HG12 VAL 57 2HG1 VAL 57 -6.995 -14.957 3.191 412 HG13 VAL 57 3HG1 VAL 57 -6.515 -14.953 1.491 413 HG21 VAL 57 1HG2 VAL 57 -4.084 -12.031 2.106 414 HG22 VAL 57 2HG2 VAL 57 -3.811 -13.746 1.810 415 HG23 VAL 57 3HG2 VAL 57 -4.935 -12.832 0.774 416 H MET 58 HN MET 58 -5.790 -10.557 1.013 417 HA MET 58 HA MET 58 -5.158 -8.646 3.028 418 HB2 MET 58 2HB MET 58 -3.933 -8.977 0.897 419 HB3 MET 58 3HB MET 58 -5.377 -8.430 0.018 420 HG2 MET 58 2HG MET 58 -5.163 -6.234 1.022 421 HG3 MET 58 3HG MET 58 -3.805 -6.753 1.992 422 HE1 MET 58 1HE MET 58 -5.225 -6.423 -1.615 423 HE2 MET 58 2HE MET 58 -3.779 -6.417 -2.659 424 HE3 MET 58 3HE MET 58 -4.289 -7.914 -1.873 425 H TYR 59 HN TYR 59 -7.991 -8.989 0.870 426 HA TYR 59 HA TYR 59 -8.974 -6.366 1.363 427 HB2 TYR 59 2HB TYR 59 -9.652 -8.355 -0.381 428 HB3 TYR 59 3HB TYR 59 -10.898 -8.623 0.800 429 HD1 TYR 59 1HD TYR 59 -9.351 -6.247 -1.575 430 HD2 TYR 59 2HD TYR 59 -12.761 -7.004 0.949 431 HE1 TYR 59 1HE TYR 59 -10.517 -4.418 -2.663 432 HE2 TYR 59 2HE TYR 59 -14.016 -5.258 -0.213 433 HH TYR 59 HH TYR 59 -13.900 -3.550 -1.642 434 H LYS 60 HN LYS 60 -9.639 -9.602 2.797 435 HA LYS 60 HA LYS 60 -11.476 -8.730 4.744 436 HB2 LYS 60 2HB LYS 60 -9.509 -11.055 4.870 437 HB3 LYS 60 3HB LYS 60 -10.916 -10.840 5.909 438 HG2 LYS 60 2HG LYS 60 -12.440 -11.110 3.978 439 HG3 LYS 60 3HG LYS 60 -11.128 -11.061 2.899 440 HD2 LYS 60 2HD LYS 60 -10.516 -13.198 4.654 441 HD3 LYS 60 3HD LYS 60 -12.275 -13.307 4.433 442 HE2 LYS 60 2HE LYS 60 -10.472 -12.694 2.154 443 HE3 LYS 60 3HE LYS 60 -10.557 -14.391 2.676 444 HZ1 LYS 60 1HZ LYS 60 -12.776 -12.716 1.666 445 HZ2 LYS 60 2HZ LYS 60 -12.924 -14.313 2.160 446 HZ3 LYS 60 3HZ LYS 60 -12.028 -13.894 0.845 447 H LEU 61 HN LEU 61 -7.914 -9.101 4.928 448 HA LEU 61 HA LEU 61 -7.615 -8.103 7.566 449 HB2 LEU 61 2HB LEU 61 -5.784 -8.424 5.205 450 HB3 LEU 61 3HB LEU 61 -5.295 -7.256 6.412 451 HG LEU 61 HG LEU 61 -4.267 -9.403 6.799 452 HD11 LEU 61 1HD1 LEU 61 -4.629 -9.614 9.151 453 HD12 LEU 61 2HD1 LEU 61 -6.213 -8.829 9.066 454 HD13 LEU 61 3HD1 LEU 61 -4.736 -7.903 8.733 455 HD21 LEU 61 1HD2 LEU 61 -7.076 -10.490 7.192 456 HD22 LEU 61 2HD2 LEU 61 -5.585 -11.325 7.677 457 HD23 LEU 61 3HD2 LEU 61 -5.878 -10.967 5.968 458 H SER 62 HN SER 62 -7.573 -6.295 4.437 459 HA SER 62 HA SER 62 -7.113 -3.747 5.387 460 HB2 SER 62 2HB SER 62 -7.256 -4.104 3.008 461 HB3 SER 62 3HB SER 62 -8.855 -4.784 3.114 462 HG SER 62 HG SER 62 -8.522 -2.111 3.877 463 H GLN 63 HN GLN 63 -10.459 -5.181 5.020 464 HA GLN 63 HA GLN 63 -11.556 -2.870 6.343 465 HB2 GLN 63 2HB GLN 63 -12.850 -5.598 5.917 466 HB3 GLN 63 3HB GLN 63 -13.666 -4.094 6.398 467 HG2 GLN 63 2HG GLN 63 -12.678 -3.019 4.298 468 HG3 GLN 63 3HG GLN 63 -12.170 -4.640 3.799 469 HE21 GLN 63 1HE2 GLN 63 -13.408 -3.790 1.950 470 HE22 GLN 63 2HE2 GLN 63 -15.111 -4.218 1.775 471 H ALA 64 HN ALA 64 -10.468 -6.018 7.589 472 HA ALA 64 HA ALA 64 -11.461 -5.750 10.247 473 HB1 ALA 64 1HB ALA 64 -9.688 -7.403 10.784 474 HB2 ALA 64 2HB ALA 64 -10.581 -7.875 9.329 475 HB3 ALA 64 3HB ALA 64 -8.954 -7.165 9.201 476 H LEU 65 HN LEU 65 -8.562 -4.422 8.696 477 HA LEU 65 HA LEU 65 -7.321 -3.459 11.148 478 HB2 LEU 65 2HB LEU 65 -6.756 -3.275 8.170 479 HB3 LEU 65 3HB LEU 65 -5.837 -2.323 9.286 480 HG LEU 65 HG LEU 65 -6.100 -5.344 9.618 481 HD11 LEU 65 1HD1 LEU 65 -3.749 -3.991 8.243 482 HD12 LEU 65 2HD1 LEU 65 -5.132 -4.673 7.363 483 HD13 LEU 65 3HD1 LEU 65 -4.164 -5.727 8.372 484 HD21 LEU 65 1HD2 LEU 65 -5.306 -4.092 11.595 485 HD22 LEU 65 2HD2 LEU 65 -3.998 -3.387 10.631 486 HD23 LEU 65 3HD2 LEU 65 -4.056 -5.149 10.928 487 H SER 66 HN SER 66 -9.097 -2.032 8.341 488 HA SER 66 HA SER 66 -9.018 0.639 9.150 489 HB2 SER 66 2HB SER 66 -11.436 -0.857 8.006 490 HB3 SER 66 3HB SER 66 -11.135 0.879 7.917 491 HG SER 66 HG SER 66 -10.655 -0.153 5.992 492 H ASP 67 HN ASP 67 -11.074 -2.081 10.254 493 HA ASP 67 HA ASP 67 -12.770 -0.641 11.932 494 HB2 ASP 67 2HB ASP 67 -12.204 -3.405 11.343 495 HB3 ASP 67 3HB ASP 67 -12.235 -3.237 13.086 496 H ILE 68 HN ILE 68 -9.379 -1.279 12.502 497 HA ILE 68 HA ILE 68 -9.687 -1.003 15.412 498 HB ILE 68 HB ILE 68 -7.115 -1.431 13.877 499 HG12 ILE 68 2HG1 ILE 68 -8.448 -3.235 13.140 500 HG13 ILE 68 3HG1 ILE 68 -7.299 -3.817 14.291 501 HG21 ILE 68 1HG2 ILE 68 -6.847 -0.776 16.202 502 HG22 ILE 68 2HG2 ILE 68 -7.978 -2.011 16.731 503 HG23 ILE 68 3HG2 ILE 68 -6.422 -2.476 16.018 504 HD11 ILE 68 1HD1 ILE 68 -9.130 -3.820 16.057 505 HD12 ILE 68 2HD1 ILE 68 -10.279 -3.412 14.767 506 HD13 ILE 68 3HD1 ILE 68 -9.370 -4.937 14.710 507 H GLU 69 HN GLU 69 -7.674 0.409 12.851 508 HA GLU 69 HA GLU 69 -8.048 3.121 13.269 509 HB2 GLU 69 2HB GLU 69 -5.921 3.807 14.441 510 HB3 GLU 69 3HB GLU 69 -7.167 3.149 15.463 511 HG2 GLU 69 2HG GLU 69 -6.030 1.216 15.915 512 HG3 GLU 69 3HG GLU 69 -5.206 1.196 14.364 513 H VAL 70 HN VAL 70 -7.008 0.719 11.325 514 HA VAL 70 HA VAL 70 -4.877 2.368 10.061 515 HB VAL 70 HB VAL 70 -4.728 -0.637 10.428 516 HG11 VAL 70 1HG1 VAL 70 -3.551 0.236 8.501 517 HG12 VAL 70 2HG1 VAL 70 -2.742 1.472 9.469 518 HG13 VAL 70 3HG1 VAL 70 -2.372 -0.247 9.706 519 HG21 VAL 70 1HG2 VAL 70 -3.413 1.544 12.073 520 HG22 VAL 70 2HG2 VAL 70 -4.433 0.187 12.634 521 HG23 VAL 70 3HG2 VAL 70 -2.823 -0.138 12.001 522 HA PRO 71 HA PRO 71 -8.140 1.130 7.133 523 HB2 PRO 71 2HB PRO 71 -8.678 3.464 5.896 524 HB3 PRO 71 3HB PRO 71 -9.386 3.006 7.479 525 HG2 PRO 71 2HG PRO 71 -6.963 4.773 6.979 526 HG3 PRO 71 3HG PRO 71 -8.335 5.096 8.061 527 HD2 PRO 71 2HD PRO 71 -6.009 4.028 9.010 528 HD3 PRO 71 3HD PRO 71 -7.602 3.494 9.645 529 H CYS 72 HN CYS 72 -7.056 -0.048 5.897 530 HA CYS 72 HA CYS 72 -5.046 0.835 3.911 531 HB2 CYS 72 2HB CYS 72 -6.558 -1.788 4.201 532 HB3 CYS 72 3HB CYS 72 -5.277 -1.518 3.047 533 HG CYS 72 HG CYS 72 -4.189 -2.925 4.692 534 H SER 73 HN SER 73 -5.480 0.416 1.546 535 HA SER 73 HA SER 73 -8.221 0.032 0.613 536 HB2 SER 73 2HB SER 73 -6.643 2.609 0.418 537 HB3 SER 73 3HB SER 73 -7.371 2.019 -1.080 538 HG SER 73 HG SER 73 -8.540 2.872 1.375 539 H VAL 74 HN VAL 74 -8.248 -1.233 -0.978 540 HA VAL 74 HA VAL 74 -5.777 -2.050 -2.240 541 HB VAL 74 HB VAL 74 -7.175 -4.246 -1.948 542 HG11 VAL 74 1HG1 VAL 74 -6.090 -4.536 0.443 543 HG12 VAL 74 2HG1 VAL 74 -4.969 -4.051 -0.841 544 HG13 VAL 74 3HG1 VAL 74 -5.609 -2.850 0.299 545 HG21 VAL 74 1HG2 VAL 74 -9.163 -3.465 -0.895 546 HG22 VAL 74 2HG2 VAL 74 -8.275 -4.774 -0.093 547 HG23 VAL 74 3HG2 VAL 74 -8.210 -3.097 0.575 548 H LEU 75 HN LEU 75 -5.973 -1.430 -4.408 549 HA LEU 75 HA LEU 75 -8.607 -2.019 -5.694 550 HB2 LEU 75 2HB LEU 75 -6.626 0.117 -6.513 551 HB3 LEU 75 3HB LEU 75 -8.167 -0.257 -7.253 552 HG LEU 75 HG LEU 75 -7.663 0.967 -4.537 553 HD11 LEU 75 1HD1 LEU 75 -9.198 1.960 -6.986 554 HD12 LEU 75 2HD1 LEU 75 -7.585 2.501 -6.482 555 HD13 LEU 75 3HD1 LEU 75 -8.996 2.847 -5.464 556 HD21 LEU 75 1HD2 LEU 75 -10.148 1.103 -4.254 557 HD22 LEU 75 2HD2 LEU 75 -9.491 -0.521 -4.136 558 HD23 LEU 75 3HD2 LEU 75 -10.316 -0.023 -5.627 559 H GLU 76 HN GLU 76 -8.574 -3.480 -7.086 560 HA GLU 76 HA GLU 76 -6.071 -4.457 -8.386 561 HB2 GLU 76 2HB GLU 76 -7.275 -6.531 -8.815 562 HB3 GLU 76 3HB GLU 76 -7.357 -6.126 -7.099 563 HG2 GLU 76 2HG GLU 76 -9.674 -5.075 -7.613 564 HG3 GLU 76 3HG GLU 76 -9.561 -5.889 -9.166 565 H CYS 77 HN CYS 77 -6.139 -4.666 -10.727 566 HA CYS 77 HA CYS 77 -8.414 -4.171 -12.323 567 HB2 CYS 77 2HB CYS 77 -7.826 -1.770 -11.511 568 HB3 CYS 77 3HB CYS 77 -6.351 -1.903 -12.433 569 HG CYS 77 HG CYS 77 -7.301 -2.111 -14.750 570 H GLU 78 HN GLU 78 -7.638 -6.008 -13.465 571 HA GLU 78 HA GLU 78 -6.594 -7.182 -15.053 572 HB2 GLU 78 2HB GLU 78 -4.973 -4.684 -15.710 573 HB3 GLU 78 3HB GLU 78 -5.114 -6.161 -16.653 574 HG2 GLU 78 2HG GLU 78 -7.544 -5.762 -16.879 575 HG3 GLU 78 3HG GLU 78 -7.301 -4.130 -16.208 576 H GLY 79 HN GLY 79 -4.683 -5.656 -12.731 577 HA2 GLY 79 2HA GLY 79 -2.791 -6.937 -11.601 578 HA3 GLY 79 1HA GLY 79 -2.261 -7.325 -13.225 579 H GLU 80 HN GLU 80 -3.662 -4.089 -12.137 580 HA GLU 80 HA GLU 80 -0.833 -3.206 -11.880 581 HB2 GLU 80 2HB GLU 80 -1.368 -1.015 -12.360 582 HB3 GLU 80 3HB GLU 80 -1.851 -2.014 -13.688 583 HG2 GLU 80 2HG GLU 80 -3.874 -1.105 -13.746 584 HG3 GLU 80 3HG GLU 80 -4.201 -1.654 -12.111 585 HA PRO 81 HA PRO 81 -3.183 -3.961 -7.997 586 HB2 PRO 81 2HB PRO 81 -1.205 -5.040 -6.449 587 HB3 PRO 81 3HB PRO 81 -2.045 -5.972 -7.720 588 HG2 PRO 81 2HG PRO 81 0.573 -4.528 -8.040 589 HG3 PRO 81 3HG PRO 81 0.204 -6.245 -8.414 590 HD2 PRO 81 2HD PRO 81 0.131 -4.380 -10.334 591 HD3 PRO 81 3HD PRO 81 -1.187 -5.603 -10.227 592 H CYS 82 HN CYS 82 -3.668 -1.959 -7.250 593 HA CYS 82 HA CYS 82 -1.481 -0.165 -6.315 594 HB2 CYS 82 2HB CYS 82 -4.297 0.374 -7.338 595 HB3 CYS 82 3HB CYS 82 -3.253 1.593 -6.580 596 HG CYS 82 HG CYS 82 -2.913 -0.143 -9.335 597 H LEU 83 HN LEU 83 -1.193 -0.317 -4.199 598 HA LEU 83 HA LEU 83 -3.580 -0.462 -2.367 599 HB2 LEU 83 2HB LEU 83 -0.627 -1.197 -2.075 600 HB3 LEU 83 3HB LEU 83 -1.567 -0.777 -0.664 601 HG LEU 83 HG LEU 83 -2.697 -2.714 -0.557 602 HD11 LEU 83 1HD1 LEU 83 -3.957 -2.611 -2.614 603 HD12 LEU 83 2HD1 LEU 83 -3.305 -4.223 -2.397 604 HD13 LEU 83 3HD1 LEU 83 -2.539 -3.129 -3.566 605 HD21 LEU 83 1HD2 LEU 83 -0.372 -3.665 -2.276 606 HD22 LEU 83 2HD2 LEU 83 -1.243 -4.587 -1.046 607 HD23 LEU 83 3HD2 LEU 83 -0.261 -3.217 -0.550 608 H PHE 84 HN PHE 84 -3.748 0.979 -0.808 609 HA PHE 84 HA PHE 84 -2.046 3.385 -0.781 610 HB2 PHE 84 2HB PHE 84 -5.096 3.426 -0.810 611 HB3 PHE 84 3HB PHE 84 -4.026 4.810 -0.820 612 HD1 PHE 84 1HD PHE 84 -3.129 5.637 -2.919 613 HD2 PHE 84 2HD PHE 84 -5.381 1.972 -2.830 614 HE1 PHE 84 1HE PHE 84 -3.271 5.658 -5.412 615 HE2 PHE 84 2HE PHE 84 -5.505 1.981 -5.292 616 HZ PHE 84 HZ PHE 84 -4.475 3.821 -6.591 617 H VAL 85 HN VAL 85 -1.922 4.207 1.315 618 HA VAL 85 HA VAL 85 -3.347 3.047 3.572 619 HB VAL 85 HB VAL 85 -0.822 2.403 4.348 620 HG11 VAL 85 1HG1 VAL 85 -2.910 0.905 4.355 621 HG12 VAL 85 2HG1 VAL 85 -2.403 0.368 2.759 622 HG13 VAL 85 3HG1 VAL 85 -1.344 0.120 4.170 623 HG21 VAL 85 1HG2 VAL 85 0.411 1.218 2.697 624 HG22 VAL 85 2HG2 VAL 85 -0.796 1.440 1.455 625 HG23 VAL 85 3HG2 VAL 85 0.116 2.833 2.035 626 H ASN 86 HN ASN 86 -1.994 3.947 5.603 627 HA ASN 86 HA ASN 86 -2.286 6.798 5.163 628 HB2 ASN 86 2HB ASN 86 -1.693 5.118 7.631 629 HB3 ASN 86 3HB ASN 86 -1.836 6.871 7.664 630 HD21 ASN 86 1HD2 ASN 86 -3.635 3.793 6.879 631 HD22 ASN 86 2HD2 ASN 86 -5.172 4.552 6.912 632 H ARG 87 HN ARG 87 0.095 5.579 7.194 633 HA ARG 87 HA ARG 87 2.337 6.436 5.361 634 HB2 ARG 87 2HB ARG 87 1.738 8.294 6.950 635 HB3 ARG 87 3HB ARG 87 2.221 7.268 8.285 636 HG2 ARG 87 2HG ARG 87 4.167 8.415 8.020 637 HG3 ARG 87 3HG ARG 87 4.517 7.106 6.888 638 HD2 ARG 87 2HD ARG 87 3.568 8.589 5.043 639 HD3 ARG 87 3HD ARG 87 3.416 9.873 6.253 640 HE ARG 87 HE ARG 87 6.066 8.884 6.353 641 HH11 ARG 87 1HH1 ARG 87 4.121 10.969 4.291 642 HH12 ARG 87 2HH1 ARG 87 5.330 11.199 3.075 643 HH21 ARG 87 1HH2 ARG 87 7.774 9.651 5.270 644 HH22 ARG 87 2HH2 ARG 87 7.680 10.848 4.036 645 H GLN 88 HN GLN 88 2.249 5.217 8.679 646 HA GLN 88 HA GLN 88 4.495 3.341 8.008 647 HB2 GLN 88 2HB GLN 88 4.355 2.757 10.461 648 HB3 GLN 88 3HB GLN 88 4.960 4.357 10.058 649 HG2 GLN 88 2HG GLN 88 2.055 3.886 10.812 650 HG3 GLN 88 3HG GLN 88 3.304 4.056 12.012 651 HE21 GLN 88 1HE2 GLN 88 0.965 5.835 10.520 652 HE22 GLN 88 2HE2 GLN 88 1.666 7.431 10.715 653 H ASP 89 HN ASP 89 1.144 3.411 8.351 654 HA ASP 89 HA ASP 89 0.202 0.862 8.761 655 HB2 ASP 89 2HB ASP 89 -1.167 2.843 8.342 656 HB3 ASP 89 3HB ASP 89 -0.438 2.999 6.749 657 H GLU 90 HN GLU 90 1.790 2.239 5.820 658 HA GLU 90 HA GLU 90 1.433 0.001 4.224 659 HB2 GLU 90 2HB GLU 90 2.356 2.076 3.303 660 HB3 GLU 90 3HB GLU 90 3.782 1.937 4.335 661 HG2 GLU 90 2HG GLU 90 4.271 1.342 1.998 662 HG3 GLU 90 3HG GLU 90 4.613 0.078 3.146 663 H PHE 91 HN PHE 91 4.256 0.719 6.343 664 HA PHE 91 HA PHE 91 5.665 -1.629 5.601 665 HB2 PHE 91 2HB PHE 91 5.965 0.061 8.112 666 HB3 PHE 91 3HB PHE 91 7.104 -1.151 7.522 667 HD1 PHE 91 1HD PHE 91 6.203 0.418 4.514 668 HD2 PHE 91 2HD PHE 91 8.446 1.072 8.148 669 HE1 PHE 91 1HE PHE 91 7.609 2.046 3.344 670 HE2 PHE 91 2HE PHE 91 9.927 2.646 6.893 671 HZ PHE 91 HZ PHE 91 9.493 3.158 4.525 672 H ALA 92 HN ALA 92 3.565 -0.845 8.312 673 HA ALA 92 HA ALA 92 3.630 -3.310 9.728 674 HB1 ALA 92 1HB ALA 92 1.457 -2.687 10.631 675 HB2 ALA 92 2HB ALA 92 2.537 -1.262 10.619 676 HB3 ALA 92 3HB ALA 92 1.252 -1.423 9.407 677 H ALA 93 HN ALA 93 1.260 -2.204 7.274 678 HA ALA 93 HA ALA 93 -0.441 -4.393 7.075 679 HB1 ALA 93 1HB ALA 93 0.414 -2.375 4.958 680 HB2 ALA 93 2HB ALA 93 -0.952 -3.503 4.843 681 HB3 ALA 93 3HB ALA 93 -0.933 -2.212 6.084 682 H THR 94 HN THR 94 2.516 -3.642 5.063 683 HA THR 94 HA THR 94 2.279 -6.150 3.714 684 HB THR 94 HB THR 94 3.361 -4.245 2.667 685 HG1 THR 94 1HG THR 94 4.196 -5.847 1.610 686 HG21 THR 94 1HG2 THR 94 4.641 -3.309 4.586 687 HG22 THR 94 2HG2 THR 94 5.640 -3.565 3.187 688 HG23 THR 94 3HG2 THR 94 5.712 -4.706 4.565 689 H CYS 95 HN CYS 95 4.079 -5.264 6.686 690 HA CYS 95 HA CYS 95 5.465 -7.718 6.993 691 HB2 CYS 95 2HB CYS 95 5.602 -5.536 8.437 692 HB3 CYS 95 3HB CYS 95 4.232 -6.203 9.318 693 HG CYS 95 HG CYS 95 6.182 -6.759 10.755 694 H ARG 96 HN ARG 96 2.234 -6.805 8.284 695 HA ARG 96 HA ARG 96 1.652 -9.370 9.403 696 HB2 ARG 96 2HB ARG 96 -0.683 -8.617 9.556 697 HB3 ARG 96 3HB ARG 96 0.518 -7.543 10.279 698 HG2 ARG 96 2HG ARG 96 0.317 -6.047 8.319 699 HG3 ARG 96 3HG ARG 96 -0.857 -7.165 7.605 700 HD2 ARG 96 2HD ARG 96 -2.159 -5.595 8.502 701 HD3 ARG 96 3HD ARG 96 -2.148 -6.804 9.805 702 HE ARG 96 HE ARG 96 -0.814 -4.147 9.656 703 HH11 ARG 96 1HH1 ARG 96 -1.856 -6.827 11.755 704 HH12 ARG 96 2HH1 ARG 96 -1.472 -6.000 13.232 705 HH21 ARG 96 1HH2 ARG 96 -0.359 -3.019 11.634 706 HH22 ARG 96 2HH2 ARG 96 -0.494 -3.835 13.136 707 H LEU 97 HN LEU 97 0.858 -8.050 6.124 708 HA LEU 97 HA LEU 97 -0.643 -10.347 5.342 709 HB2 LEU 97 2HB LEU 97 0.581 -7.964 4.000 710 HB3 LEU 97 3HB LEU 97 0.366 -9.360 2.974 711 HG LEU 97 HG LEU 97 -1.540 -7.705 2.975 712 HD11 LEU 97 1HD1 LEU 97 -1.999 -10.657 3.646 713 HD12 LEU 97 2HD1 LEU 97 -1.866 -9.893 2.048 714 HD13 LEU 97 3HD1 LEU 97 -3.271 -9.587 3.074 715 HD21 LEU 97 1HD2 LEU 97 -3.194 -7.733 4.715 716 HD22 LEU 97 2HD2 LEU 97 -1.643 -7.252 5.392 717 HD23 LEU 97 3HD2 LEU 97 -2.262 -8.890 5.685 718 H LYS 98 HN LYS 98 2.827 -9.574 4.856 719 HA LYS 98 HA LYS 98 3.447 -11.982 3.455 720 HB2 LYS 98 2HB LYS 98 5.037 -10.012 5.134 721 HB3 LYS 98 3HB LYS 98 5.806 -11.479 4.498 722 HG2 LYS 98 2HG LYS 98 5.392 -10.961 2.291 723 HG3 LYS 98 3HG LYS 98 4.147 -9.734 2.652 724 HD2 LYS 98 2HD LYS 98 5.759 -8.161 3.390 725 HD3 LYS 98 3HD LYS 98 7.056 -9.400 3.360 726 HE2 LYS 98 2HE LYS 98 6.334 -9.627 0.816 727 HE3 LYS 98 3HE LYS 98 5.656 -8.000 1.059 728 HZ1 LYS 98 1HZ LYS 98 7.866 -7.322 1.750 729 HZ2 LYS 98 2HZ LYS 98 7.886 -7.914 0.215 730 HZ3 LYS 98 3HZ LYS 98 8.451 -8.858 1.471 731 H ASN 99 HN ASN 99 3.200 -11.279 6.926 732 HA ASN 99 HA ASN 99 3.962 -13.907 7.778 733 HB2 ASN 99 2HB ASN 99 3.012 -11.494 9.072 734 HB3 ASN 99 3HB ASN 99 2.024 -12.844 9.611 735 HD21 ASN 99 1HD2 ASN 99 5.423 -11.687 9.347 736 HD22 ASN 99 2HD2 ASN 99 6.012 -12.815 10.559 737 H PHE 100 HN PHE 100 0.739 -12.577 6.817 738 HA PHE 100 HA PHE 100 -0.766 -14.881 7.420 739 HB2 PHE 100 2HB PHE 100 -1.546 -12.545 6.433 740 HB3 PHE 100 3HB PHE 100 -1.322 -13.310 4.897 741 HD1 PHE 100 1HD PHE 100 -2.612 -15.583 4.463 742 HD2 PHE 100 2HD PHE 100 -3.539 -12.848 7.680 743 HE1 PHE 100 1HE PHE 100 -4.823 -16.648 4.752 744 HE2 PHE 100 2HE PHE 100 -5.755 -13.911 7.936 745 HZ PHE 100 HZ PHE 100 -6.400 -15.825 6.471 746 H GLY 101 HN GLY 101 1.222 -14.135 4.639 747 HA2 GLY 101 2HA GLY 101 2.256 -16.549 4.013 748 HA3 GLY 101 1HA GLY 101 0.638 -16.725 3.321 749 H VAL 102 HN VAL 102 1.080 -13.503 2.768 750 HA VAL 102 HA VAL 102 2.047 -14.165 0.037 751 HB VAL 102 HB VAL 102 0.141 -12.663 -0.673 752 HG11 VAL 102 1HG1 VAL 102 -0.489 -15.349 0.631 753 HG12 VAL 102 2HG1 VAL 102 -1.482 -14.535 -0.592 754 HG13 VAL 102 3HG1 VAL 102 0.154 -15.083 -1.007 755 HG21 VAL 102 1HG2 VAL 102 -1.072 -13.350 2.044 756 HG22 VAL 102 2HG2 VAL 102 -0.418 -11.752 1.635 757 HG23 VAL 102 3HG2 VAL 102 -1.785 -12.396 0.730 758 H ALA 103 HN ALA 103 3.690 -13.001 -0.589 759 HA ALA 103 HA ALA 103 4.371 -10.419 0.556 760 HB1 ALA 103 1HB ALA 103 5.935 -10.299 -1.452 761 HB2 ALA 103 2HB ALA 103 6.202 -11.669 -0.344 762 HB3 ALA 103 3HB ALA 103 5.363 -11.925 -1.877 763 H ILE 104 HN ILE 104 3.370 -8.584 0.238 764 HA ILE 104 HA ILE 104 2.489 -7.899 -2.445 765 HB ILE 104 HB ILE 104 0.545 -6.652 -1.437 766 HG12 ILE 104 2HG1 ILE 104 -0.534 -7.453 0.576 767 HG13 ILE 104 3HG1 ILE 104 0.777 -8.577 0.914 768 HG21 ILE 104 1HG2 ILE 104 0.341 -8.833 -2.706 769 HG22 ILE 104 2HG2 ILE 104 0.336 -9.686 -1.159 770 HG23 ILE 104 3HG2 ILE 104 -0.966 -8.542 -1.550 771 HD11 ILE 104 1HD1 ILE 104 2.213 -6.870 1.634 772 HD12 ILE 104 2HD1 ILE 104 1.270 -5.584 0.807 773 HD13 ILE 104 3HD1 ILE 104 0.629 -6.374 2.250 774 H ALA 105 HN ALA 105 2.442 -5.497 -2.628 775 HA ALA 105 HA ALA 105 3.602 -3.579 -2.713 776 HB1 ALA 105 1HB ALA 105 3.566 -2.272 -0.694 777 HB2 ALA 105 2HB ALA 105 2.138 -3.307 -0.662 778 HB3 ALA 105 3HB ALA 105 3.557 -3.724 0.322 779 H GLU 106 HN GLU 106 5.408 -2.262 -1.436 780 HA GLU 106 HA GLU 106 7.941 -3.383 -2.176 781 HB2 GLU 106 2HB GLU 106 6.806 -0.834 -1.041 782 HB3 GLU 106 3HB GLU 106 8.474 -1.192 -0.678 783 HG2 GLU 106 2HG GLU 106 8.029 -1.649 -3.503 784 HG3 GLU 106 3HG GLU 106 7.362 -0.092 -3.078 785 HA PRO 107 HA PRO 107 9.038 -4.605 2.038 786 HB2 PRO 107 2HB PRO 107 11.701 -4.465 2.073 787 HB3 PRO 107 3HB PRO 107 10.822 -5.670 1.090 788 HG2 PRO 107 2HG PRO 107 11.898 -2.991 0.233 789 HG3 PRO 107 3HG PRO 107 12.153 -4.579 -0.580 790 HD2 PRO 107 2HD PRO 107 10.226 -2.724 -1.318 791 HD3 PRO 107 3HD PRO 107 9.978 -4.485 -1.545 792 H PHE 108 HN PHE 108 10.358 -3.639 3.890 793 HA PHE 108 HA PHE 108 10.117 -0.655 3.953 794 HB2 PHE 108 2HB PHE 108 9.900 -1.088 6.479 795 HB3 PHE 108 3HB PHE 108 8.531 -1.358 5.422 796 HD1 PHE 108 1HD PHE 108 7.211 -3.123 6.032 797 HD2 PHE 108 2HD PHE 108 11.462 -3.445 6.436 798 HE1 PHE 108 1HE PHE 108 6.948 -5.476 6.767 799 HE2 PHE 108 2HE PHE 108 11.219 -5.803 7.264 800 HZ PHE 108 HZ PHE 108 8.944 -6.813 7.439 801 H SER 109 HN SER 109 12.464 -2.363 2.947 802 HA SER 109 HA SER 109 14.307 -2.385 5.164 803 HB2 SER 109 2HB SER 109 15.837 -3.249 3.211 804 HB3 SER 109 3HB SER 109 14.549 -4.244 3.902 805 HG SER 109 HG SER 109 14.181 -4.456 1.834 806 H ASN 110 HN ASN 110 16.331 -1.436 5.124 807 HA ASN 110 HA ASN 110 16.287 1.265 5.174 808 HB2 ASN 110 2HB ASN 110 18.687 -0.571 4.877 809 HB3 ASN 110 3HB ASN 110 18.831 1.161 5.164 810 HD21 ASN 110 1HD2 ASN 110 20.020 -0.374 6.955 811 HD22 ASN 110 2HD2 ASN 110 19.114 -0.431 8.468 812 H TYR 111 HN TYR 111 15.738 2.529 3.593 813 HA TYR 111 HA TYR 111 15.458 3.536 1.670 814 HB2 TYR 111 2HB TYR 111 17.465 4.641 0.811 815 HB3 TYR 111 3HB TYR 111 17.250 4.710 2.531 816 HD1 TYR 111 1HD TYR 111 19.321 3.080 -0.161 817 HD2 TYR 111 2HD TYR 111 18.840 3.826 4.064 818 HE1 TYR 111 1HE TYR 111 21.631 2.351 0.218 819 HE2 TYR 111 2HE TYR 111 21.117 2.988 4.464 820 HH TYR 111 HH TYR 111 22.994 1.853 3.410 821 H ASN 112 HN ASN 112 15.015 0.913 1.207 822 HA ASN 112 HA ASN 112 14.842 -0.730 -0.263 823 HB2 ASN 112 2HB ASN 112 14.187 -0.109 -2.568 824 HB3 ASN 112 3HB ASN 112 13.246 0.512 -1.266 825 HD21 ASN 112 1HD2 ASN 112 15.648 1.247 -3.636 826 HD22 ASN 112 2HD2 ASN 112 15.444 2.988 -3.702 827 HA PRO 113 HA PRO 113 19.259 -0.492 -1.286 828 HB2 PRO 113 2HB PRO 113 20.196 -2.672 0.035 829 HB3 PRO 113 3HB PRO 113 19.629 -1.169 0.837 830 HG2 PRO 113 2HG PRO 113 18.023 -3.706 0.445 831 HG3 PRO 113 3HG PRO 113 18.328 -2.820 1.978 832 HD2 PRO 113 2HD PRO 113 16.097 -2.397 0.454 833 HD3 PRO 113 3HD PRO 113 16.875 -1.081 1.367 834 H PHE 114 HN PHE 114 16.944 -2.701 -2.185 835 HA PHE 114 HA PHE 114 18.693 -4.853 -3.236 836 HB2 PHE 114 2HB PHE 114 16.461 -5.877 -3.915 837 HB3 PHE 114 3HB PHE 114 16.705 -5.592 -2.204 838 HD1 PHE 114 1HD PHE 114 15.416 -3.934 -0.973 839 HD2 PHE 114 2HD PHE 114 14.935 -4.347 -5.236 840 HE1 PHE 114 1HE PHE 114 13.512 -2.351 -0.931 841 HE2 PHE 114 2HE PHE 114 12.899 -2.923 -5.138 842 HZ PHE 114 HZ PHE 114 12.201 -1.926 -2.978 Start of MODEL 3 1 H THR 2 HN THR 2 6.334 -21.113 -2.581 2 HA THR 2 HA THR 2 8.543 -19.132 -2.609 3 HB THR 2 HB THR 2 9.615 -21.222 -4.033 4 HG1 THR 2 1HG THR 2 8.506 -22.968 -3.447 5 HG21 THR 2 1HG2 THR 2 10.751 -19.922 -2.275 6 HG22 THR 2 2HG2 THR 2 10.971 -21.663 -2.023 7 HG23 THR 2 3HG2 THR 2 9.821 -20.760 -1.016 8 H SER 3 HN SER 3 9.146 -18.471 -4.757 9 HA SER 3 HA SER 3 7.595 -19.214 -7.058 10 HB2 SER 3 2HB SER 3 7.266 -16.453 -5.764 11 HB3 SER 3 3HB SER 3 6.786 -16.827 -7.424 12 HG SER 3 HG SER 3 5.836 -18.314 -5.212 13 H LEU 4 HN LEU 4 8.359 -17.774 -8.896 14 HA LEU 4 HA LEU 4 11.246 -17.098 -8.503 15 HB2 LEU 4 2HB LEU 4 9.773 -18.211 -10.920 16 HB3 LEU 4 3HB LEU 4 11.480 -17.795 -10.887 17 HG LEU 4 HG LEU 4 10.154 -19.970 -9.217 18 HD11 LEU 4 1HD1 LEU 4 10.427 -20.464 -11.642 19 HD12 LEU 4 2HD1 LEU 4 11.409 -21.514 -10.611 20 HD13 LEU 4 3HD1 LEU 4 12.171 -20.171 -11.480 21 HD21 LEU 4 1HD2 LEU 4 12.558 -20.581 -8.647 22 HD22 LEU 4 2HD2 LEU 4 11.979 -19.104 -7.889 23 HD23 LEU 4 3HD2 LEU 4 13.056 -19.015 -9.310 24 H GLN 5 HN GLN 5 8.717 -15.345 -8.363 25 HA GLN 5 HA GLN 5 9.502 -13.296 -10.398 26 HB2 GLN 5 2HB GLN 5 7.252 -13.121 -11.074 27 HB3 GLN 5 3HB GLN 5 7.824 -14.795 -11.301 28 HG2 GLN 5 2HG GLN 5 6.718 -15.347 -9.112 29 HG3 GLN 5 3HG GLN 5 6.003 -13.737 -9.114 30 HE21 GLN 5 1HE2 GLN 5 4.758 -13.188 -11.273 31 HE22 GLN 5 2HE2 GLN 5 3.743 -14.477 -11.877 32 H LEU 6 HN LEU 6 9.585 -13.539 -7.427 33 HA LEU 6 HA LEU 6 7.625 -11.713 -6.398 34 HB2 LEU 6 2HB LEU 6 8.050 -14.150 -5.906 35 HB3 LEU 6 3HB LEU 6 9.571 -13.718 -5.169 36 HG LEU 6 HG LEU 6 7.154 -14.092 -4.040 37 HD11 LEU 6 1HD1 LEU 6 9.540 -12.569 -3.034 38 HD12 LEU 6 2HD1 LEU 6 9.224 -14.307 -2.891 39 HD13 LEU 6 3HD1 LEU 6 8.256 -13.167 -1.937 40 HD21 LEU 6 1HD2 LEU 6 7.555 -11.091 -3.747 41 HD22 LEU 6 2HD2 LEU 6 6.323 -12.067 -2.937 42 HD23 LEU 6 3HD2 LEU 6 6.256 -11.834 -4.684 43 H SER 7 HN SER 7 9.528 -10.412 -7.629 44 HA SER 7 HA SER 7 11.420 -9.157 -5.681 45 HB2 SER 7 2HB SER 7 11.368 -9.020 -8.723 46 HB3 SER 7 3HB SER 7 12.553 -8.226 -7.666 47 HG SER 7 HG SER 7 12.224 -10.957 -8.261 48 H ILE 8 HN ILE 8 9.978 -7.810 -4.534 49 HA ILE 8 HA ILE 8 8.097 -6.161 -5.959 50 HB ILE 8 HB ILE 8 8.938 -5.657 -3.094 51 HG12 ILE 8 2HG1 ILE 8 8.678 -8.034 -3.009 52 HG13 ILE 8 3HG1 ILE 8 7.337 -7.246 -2.225 53 HG21 ILE 8 1HG2 ILE 8 7.412 -4.056 -3.810 54 HG22 ILE 8 2HG2 ILE 8 6.482 -5.219 -4.778 55 HG23 ILE 8 3HG2 ILE 8 6.383 -5.255 -3.019 56 HD11 ILE 8 1HD1 ILE 8 5.964 -7.675 -4.319 57 HD12 ILE 8 2HD1 ILE 8 7.320 -8.643 -4.932 58 HD13 ILE 8 3HD1 ILE 8 6.473 -9.106 -3.440 59 H VAL 9 HN VAL 9 8.170 -3.821 -6.213 60 HA VAL 9 HA VAL 9 10.813 -2.507 -5.849 61 HB VAL 9 HB VAL 9 10.557 -1.544 -8.098 62 HG11 VAL 9 1HG1 VAL 9 10.577 -4.589 -8.144 63 HG12 VAL 9 2HG1 VAL 9 11.147 -3.553 -9.436 64 HG13 VAL 9 3HG1 VAL 9 11.971 -3.531 -7.870 65 HG21 VAL 9 1HG2 VAL 9 8.216 -3.459 -8.493 66 HG22 VAL 9 2HG2 VAL 9 8.117 -1.688 -8.422 67 HG23 VAL 9 3HG2 VAL 9 8.984 -2.472 -9.745 68 H HIS 10 HN HIS 10 10.428 0.031 -6.318 69 HA HIS 10 HA HIS 10 7.739 0.923 -6.012 70 HB2 HIS 10 2HB HIS 10 8.758 0.416 -3.597 71 HB3 HIS 10 3HB HIS 10 9.579 1.918 -3.856 72 HD1 HIS 10 1HD HIS 10 6.173 0.446 -3.010 73 HD2 HIS 10 2HD HIS 10 7.892 4.158 -3.892 74 HE1 HIS 10 1HE HIS 10 4.466 2.198 -2.392 75 H ARG 11 HN ARG 11 8.242 3.616 -5.623 76 HA ARG 11 HA ARG 11 10.453 4.588 -7.318 77 HB2 ARG 11 2HB ARG 11 7.533 5.045 -8.055 78 HB3 ARG 11 3HB ARG 11 8.911 5.857 -8.771 79 HG2 ARG 11 2HG ARG 11 8.523 4.448 -10.398 80 HG3 ARG 11 3HG ARG 11 9.718 3.523 -9.497 81 HD2 ARG 11 2HD ARG 11 7.823 2.151 -8.521 82 HD3 ARG 11 3HD ARG 11 6.669 3.213 -9.324 83 HE ARG 11 HE ARG 11 6.898 2.040 -11.196 84 HH11 ARG 11 1HH1 ARG 11 9.847 1.371 -9.262 85 HH12 ARG 11 2HH1 ARG 11 10.471 0.233 -10.426 86 HH21 ARG 11 1HH2 ARG 11 7.832 0.662 -12.742 87 HH22 ARG 11 2HH2 ARG 11 9.455 0.065 -12.560 88 H LEU 12 HN LEU 12 9.652 4.992 -4.444 89 HA LEU 12 HA LEU 12 8.835 6.269 -2.888 90 HB2 LEU 12 2HB LEU 12 9.703 8.456 -4.777 91 HB3 LEU 12 3HB LEU 12 8.708 8.882 -3.416 92 HG LEU 12 HG LEU 12 11.092 9.219 -3.037 93 HD11 LEU 12 1HD1 LEU 12 9.972 7.103 -1.175 94 HD12 LEU 12 2HD1 LEU 12 9.528 8.829 -1.160 95 HD13 LEU 12 3HD1 LEU 12 11.179 8.332 -0.802 96 HD21 LEU 12 1HD2 LEU 12 11.960 7.207 -4.289 97 HD22 LEU 12 2HD2 LEU 12 11.459 6.211 -2.917 98 HD23 LEU 12 3HD2 LEU 12 12.676 7.466 -2.690 99 HA PRO 13 HA PRO 13 4.482 7.253 -3.909 100 HB2 PRO 13 2HB PRO 13 3.661 8.415 -1.593 101 HB3 PRO 13 3HB PRO 13 3.981 6.657 -1.726 102 HG2 PRO 13 2HG PRO 13 5.816 8.801 -0.604 103 HG3 PRO 13 3HG PRO 13 5.439 7.184 0.072 104 HD2 PRO 13 2HD PRO 13 7.668 7.717 -1.401 105 HD3 PRO 13 3HD PRO 13 6.886 6.110 -1.368 106 H GLN 14 HN GLN 14 3.172 9.315 -4.213 107 HA GLN 14 HA GLN 14 5.002 11.653 -4.681 108 HB2 GLN 14 2HB GLN 14 2.870 10.414 -6.460 109 HB3 GLN 14 3HB GLN 14 3.792 11.890 -6.826 110 HG2 GLN 14 2HG GLN 14 5.868 10.607 -6.681 111 HG3 GLN 14 3HG GLN 14 4.934 9.132 -6.391 112 HE21 GLN 14 1HE2 GLN 14 3.258 8.491 -8.215 113 HE22 GLN 14 2HE2 GLN 14 3.489 9.151 -9.818 114 H ASN 15 HN ASN 15 4.028 12.047 -2.736 115 HA ASN 15 HA ASN 15 2.579 13.106 -1.146 116 HB2 ASN 15 2HB ASN 15 3.406 15.055 -3.333 117 HB3 ASN 15 3HB ASN 15 2.921 15.493 -1.692 118 HD21 ASN 15 1HD2 ASN 15 4.412 15.343 0.017 119 HD22 ASN 15 2HD2 ASN 15 6.032 14.747 -0.236 120 H TYR 16 HN TYR 16 0.380 12.229 -1.161 121 HA TYR 16 HA TYR 16 -1.480 13.908 -2.701 122 HB2 TYR 16 2HB TYR 16 -2.559 12.087 -3.778 123 HB3 TYR 16 3HB TYR 16 -0.872 12.000 -4.184 124 HD1 TYR 16 1HD TYR 16 -3.670 10.335 -3.126 125 HD2 TYR 16 2HD TYR 16 0.603 10.272 -2.623 126 HE1 TYR 16 1HE TYR 16 -3.832 8.085 -2.127 127 HE2 TYR 16 2HE TYR 16 0.482 8.006 -1.664 128 HH TYR 16 HH TYR 16 -1.097 6.208 -0.835 129 H ARG 17 HN ARG 17 -3.787 13.190 -1.978 130 HA ARG 17 HA ARG 17 -3.888 11.873 0.633 131 HB2 ARG 17 2HB ARG 17 -5.092 13.641 1.730 132 HB3 ARG 17 3HB ARG 17 -3.477 14.177 1.281 133 HG2 ARG 17 2HG ARG 17 -4.300 15.600 -0.445 134 HG3 ARG 17 3HG ARG 17 -5.886 14.853 -0.441 135 HD2 ARG 17 2HD ARG 17 -5.558 15.701 2.230 136 HD3 ARG 17 3HD ARG 17 -4.801 16.982 1.281 137 HE ARG 17 HE ARG 17 -7.416 16.148 0.324 138 HH11 ARG 17 1HH1 ARG 17 -5.850 18.235 2.778 139 HH12 ARG 17 2HH1 ARG 17 -7.022 19.506 2.624 140 HH21 ARG 17 1HH2 ARG 17 -8.933 17.899 0.142 141 HH22 ARG 17 2HH2 ARG 17 -8.903 19.196 1.305 142 H TRP 18 HN TRP 18 -6.395 11.883 1.333 143 HA TRP 18 HA TRP 18 -8.046 10.952 -0.861 144 HB2 TRP 18 2HB TRP 18 -9.061 12.115 1.736 145 HB3 TRP 18 3HB TRP 18 -9.794 10.889 0.723 146 HD1 TRP 18 1HD TRP 18 -8.633 11.152 3.955 147 HE1 TRP 18 1HE TRP 18 -7.844 8.953 4.964 148 HE3 TRP 18 3HE TRP 18 -7.798 8.558 -0.372 149 HZ2 TRP 18 2HZ TRP 18 -6.853 6.388 4.001 150 HZ3 TRP 18 3HZ TRP 18 -6.899 6.236 -0.293 151 HH2 TRP 18 2HH TRP 18 -6.441 5.151 1.902 152 H SER 19 HN SER 19 -9.753 12.273 -1.987 153 HA SER 19 HA SER 19 -8.998 15.094 -2.128 154 HB2 SER 19 2HB SER 19 -9.713 13.505 -4.069 155 HB3 SER 19 3HB SER 19 -11.360 13.852 -3.518 156 HG SER 19 HG SER 19 -10.941 16.046 -3.780 157 H ALA 20 HN ALA 20 -10.337 14.072 0.376 158 HA ALA 20 HA ALA 20 -12.071 14.487 1.797 159 HB1 ALA 20 1HB ALA 20 -10.775 16.534 1.942 160 HB2 ALA 20 2HB ALA 20 -11.606 17.215 0.527 161 HB3 ALA 20 3HB ALA 20 -12.492 16.958 2.033 162 H GLY 21 HN GLY 21 -13.020 13.271 -0.551 163 HA2 GLY 21 2HA GLY 21 -15.801 14.370 -0.727 164 HA3 GLY 21 1HA GLY 21 -14.921 13.829 -2.159 165 H PHE 22 HN PHE 22 -13.662 11.507 -1.304 166 HA PHE 22 HA PHE 22 -15.800 9.691 -0.421 167 HB2 PHE 22 2HB PHE 22 -14.475 8.919 -3.005 168 HB3 PHE 22 3HB PHE 22 -16.034 8.532 -2.377 169 HD1 PHE 22 1HD PHE 22 -17.958 9.963 -2.921 170 HD2 PHE 22 2HD PHE 22 -13.992 11.071 -4.188 171 HE1 PHE 22 1HE PHE 22 -18.904 11.615 -4.473 172 HE2 PHE 22 2HE PHE 22 -14.957 12.716 -5.774 173 HZ PHE 22 HZ PHE 22 -17.414 12.996 -5.921 174 H ALA 23 HN ALA 23 -14.116 9.828 1.352 175 HA ALA 23 HA ALA 23 -11.433 9.287 1.113 176 HB1 ALA 23 1HB ALA 23 -13.135 8.123 3.338 177 HB2 ALA 23 2HB ALA 23 -11.430 8.600 3.412 178 HB3 ALA 23 3HB ALA 23 -12.709 9.831 3.226 179 H GLY 24 HN GLY 24 -13.941 6.734 1.113 180 HA2 GLY 24 2HA GLY 24 -12.036 4.613 1.020 181 HA3 GLY 24 1HA GLY 24 -13.782 4.490 0.821 182 H SER 25 HN SER 25 -13.137 6.641 -1.582 183 HA SER 25 HA SER 25 -11.978 4.789 -3.545 184 HB2 SER 25 2HB SER 25 -14.853 5.791 -3.756 185 HB3 SER 25 3HB SER 25 -13.940 5.068 -5.083 186 HG SER 25 HG SER 25 -14.299 3.225 -4.391 187 H LYS 26 HN LYS 26 -10.655 7.048 -2.759 188 HA LYS 26 HA LYS 26 -10.746 8.613 -5.207 189 HB2 LYS 26 2HB LYS 26 -12.583 9.623 -3.840 190 HB3 LYS 26 3HB LYS 26 -11.397 10.065 -2.629 191 HG2 LYS 26 2HG LYS 26 -11.901 11.937 -3.979 192 HG3 LYS 26 3HG LYS 26 -10.238 11.449 -4.303 193 HD2 LYS 26 2HD LYS 26 -11.776 10.120 -6.288 194 HD3 LYS 26 3HD LYS 26 -12.572 11.694 -6.099 195 HE2 LYS 26 2HE LYS 26 -10.226 12.731 -6.244 196 HE3 LYS 26 3HE LYS 26 -9.613 11.158 -6.643 197 HZ1 LYS 26 1HZ LYS 26 -9.994 12.428 -8.590 198 HZ2 LYS 26 2HZ LYS 26 -11.615 12.570 -8.332 199 HZ3 LYS 26 3HZ LYS 26 -10.973 11.095 -8.610 200 H VAL 27 HN VAL 27 -8.726 9.447 -5.621 201 HA VAL 27 HA VAL 27 -7.131 10.368 -3.342 202 HB VAL 27 HB VAL 27 -5.096 9.253 -4.429 203 HG11 VAL 27 1HG1 VAL 27 -7.195 7.266 -3.452 204 HG12 VAL 27 2HG1 VAL 27 -5.449 7.086 -3.400 205 HG13 VAL 27 3HG1 VAL 27 -6.226 8.320 -2.392 206 HG21 VAL 27 1HG2 VAL 27 -7.134 7.500 -5.890 207 HG22 VAL 27 2HG2 VAL 27 -6.132 8.734 -6.672 208 HG23 VAL 27 3HG2 VAL 27 -5.374 7.346 -5.905 209 H GLU 28 HN GLU 28 -5.806 12.151 -3.738 210 HA GLU 28 HA GLU 28 -5.520 13.047 -6.505 211 HB2 GLU 28 2HB GLU 28 -6.960 14.704 -4.405 212 HB3 GLU 28 3HB GLU 28 -6.195 15.415 -5.813 213 HG2 GLU 28 2HG GLU 28 -8.461 13.412 -5.853 214 HG3 GLU 28 3HG GLU 28 -8.588 15.153 -6.164 215 HA PRO 29 HA PRO 29 -1.561 14.065 -4.841 216 HB2 PRO 29 2HB PRO 29 -0.700 15.965 -6.708 217 HB3 PRO 29 3HB PRO 29 -0.678 14.183 -6.885 218 HG2 PRO 29 2HG PRO 29 -2.753 16.152 -7.852 219 HG3 PRO 29 3HG PRO 29 -2.030 14.765 -8.738 220 HD2 PRO 29 2HD PRO 29 -4.441 14.547 -7.594 221 HD3 PRO 29 3HD PRO 29 -3.279 13.187 -7.423 222 H ILE 30 HN ILE 30 -0.047 15.905 -4.334 223 HA ILE 30 HA ILE 30 -1.433 18.018 -2.809 224 HB ILE 30 HB ILE 30 1.234 16.576 -2.367 225 HG12 ILE 30 2HG1 ILE 30 -1.270 17.010 -0.652 226 HG13 ILE 30 3HG1 ILE 30 -0.991 15.582 -1.599 227 HG21 ILE 30 1HG2 ILE 30 1.365 18.247 -0.376 228 HG22 ILE 30 2HG2 ILE 30 1.547 19.030 -1.932 229 HG23 ILE 30 3HG2 ILE 30 -0.015 19.118 -1.107 230 HD11 ILE 30 1HD1 ILE 30 0.639 16.504 0.776 231 HD12 ILE 30 2HD1 ILE 30 -0.436 15.100 0.675 232 HD13 ILE 30 3HD1 ILE 30 1.077 15.124 -0.244 233 HA PRO 31 HA PRO 31 0.563 20.611 -6.028 234 HB2 PRO 31 2HB PRO 31 -1.316 22.561 -6.183 235 HB3 PRO 31 3HB PRO 31 -1.519 20.970 -6.975 236 HG2 PRO 31 2HG PRO 31 -2.615 21.850 -4.302 237 HG3 PRO 31 3HG PRO 31 -3.494 21.061 -5.657 238 HD2 PRO 31 2HD PRO 31 -2.534 19.617 -3.555 239 HD3 PRO 31 3HD PRO 31 -2.482 18.957 -5.188 240 H GLN 32 HN GLN 32 1.941 20.576 -4.094 241 HA GLN 32 HA GLN 32 3.362 21.569 -2.675 242 HB2 GLN 32 2HB GLN 32 3.499 22.928 -4.799 243 HB3 GLN 32 3HB GLN 32 2.495 24.149 -4.024 244 HG2 GLN 32 2HG GLN 32 4.241 24.471 -2.294 245 HG3 GLN 32 3HG GLN 32 5.183 23.166 -2.997 246 HE21 GLN 32 1HE2 GLN 32 6.911 24.032 -4.114 247 HE22 GLN 32 2HE2 GLN 32 6.957 25.662 -4.777 248 H ASN 33 HN ASN 33 0.296 21.722 -1.946 249 HA ASN 33 HA ASN 33 -0.309 23.779 -0.330 250 HB2 ASN 33 2HB ASN 33 -0.946 20.849 0.277 251 HB3 ASN 33 3HB ASN 33 -1.651 22.212 1.136 252 HD21 ASN 33 1HD2 ASN 33 -2.451 20.088 -1.300 253 HD22 ASN 33 2HD2 ASN 33 -3.315 21.217 -2.322 254 H GLY 34 HN GLY 34 1.621 20.992 0.734 255 HA2 GLY 34 2HA GLY 34 2.992 20.782 2.646 256 HA3 GLY 34 1HA GLY 34 2.589 22.433 3.088 257 HA PRO 35 HA PRO 35 -1.009 19.619 4.776 258 HB2 PRO 35 2HB PRO 35 -0.559 16.994 5.042 259 HB3 PRO 35 3HB PRO 35 -1.018 17.685 3.460 260 HG2 PRO 35 2HG PRO 35 1.818 17.146 4.429 261 HG3 PRO 35 3HG PRO 35 1.033 16.493 2.958 262 HD2 PRO 35 2HD PRO 35 2.542 18.745 2.898 263 HD3 PRO 35 3HD PRO 35 1.032 18.661 1.940 264 H CYS 36 HN CYS 36 -1.013 18.187 6.906 265 HA CYS 36 HA CYS 36 0.171 19.506 8.995 266 HB2 CYS 36 2HB CYS 36 -0.478 16.545 8.707 267 HB3 CYS 36 3HB CYS 36 -0.303 17.413 10.259 268 HG CYS 36 HG CYS 36 -2.815 17.064 9.956 269 H GLY 37 HN GLY 37 1.544 16.676 7.253 270 HA2 GLY 37 2HA GLY 37 4.038 17.377 6.914 271 HA3 GLY 37 1HA GLY 37 4.135 16.987 8.642 272 H ASP 38 HN ASP 38 3.372 14.852 9.324 273 HA ASP 38 HA ASP 38 4.241 12.823 7.338 274 HB2 ASP 38 2HB ASP 38 3.657 12.136 10.199 275 HB3 ASP 38 3HB ASP 38 4.884 11.512 9.094 276 H ASN 39 HN ASN 39 1.331 14.054 7.780 277 HA ASN 39 HA ASN 39 -0.241 11.605 8.320 278 HB2 ASN 39 2HB ASN 39 -0.680 13.958 9.370 279 HB3 ASN 39 3HB ASN 39 -1.283 14.419 7.790 280 HD21 ASN 39 1HD2 ASN 39 -1.801 12.099 10.526 281 HD22 ASN 39 2HD2 ASN 39 -3.449 11.733 10.121 282 H SER 40 HN SER 40 1.356 12.281 5.766 283 HA SER 40 HA SER 40 -0.475 12.754 3.618 284 HB2 SER 40 2HB SER 40 2.345 11.616 3.745 285 HB3 SER 40 3HB SER 40 1.522 12.233 2.303 286 HG SER 40 HG SER 40 2.807 13.853 3.191 287 H LEU 41 HN LEU 41 -0.121 10.898 1.741 288 HA LEU 41 HA LEU 41 -0.862 8.267 2.900 289 HB2 LEU 41 2HB LEU 41 -1.824 9.515 0.337 290 HB3 LEU 41 3HB LEU 41 -2.132 7.856 0.881 291 HG LEU 41 HG LEU 41 -3.171 10.379 2.196 292 HD11 LEU 41 1HD1 LEU 41 -4.197 9.687 0.006 293 HD12 LEU 41 2HD1 LEU 41 -5.317 9.601 1.382 294 HD13 LEU 41 3HD1 LEU 41 -4.592 8.118 0.732 295 HD21 LEU 41 1HD2 LEU 41 -4.574 8.725 3.543 296 HD22 LEU 41 2HD2 LEU 41 -2.866 8.777 3.974 297 HD23 LEU 41 3HD2 LEU 41 -3.489 7.445 2.971 298 H VAL 42 HN VAL 42 -0.038 6.448 1.660 299 HA VAL 42 HA VAL 42 2.134 7.031 -0.290 300 HB VAL 42 HB VAL 42 3.492 5.278 0.742 301 HG11 VAL 42 1HG1 VAL 42 2.796 7.373 2.816 302 HG12 VAL 42 2HG1 VAL 42 4.361 6.598 2.511 303 HG13 VAL 42 3HG1 VAL 42 3.676 7.727 1.320 304 HG21 VAL 42 1HG2 VAL 42 2.175 3.780 1.897 305 HG22 VAL 42 2HG2 VAL 42 2.942 4.679 3.198 306 HG23 VAL 42 3HG2 VAL 42 1.266 5.037 2.776 307 H ALA 43 HN ALA 43 2.640 5.029 -1.710 308 HA ALA 43 HA ALA 43 -0.055 4.100 -2.602 309 HB1 ALA 43 1HB ALA 43 2.004 5.809 -4.063 310 HB2 ALA 43 2HB ALA 43 0.570 5.072 -4.802 311 HB3 ALA 43 3HB ALA 43 0.371 6.289 -3.531 312 H LEU 44 HN LEU 44 0.107 1.945 -2.843 313 HA LEU 44 HA LEU 44 2.774 0.681 -3.299 314 HB2 LEU 44 2HB LEU 44 0.197 -0.157 -1.942 315 HB3 LEU 44 3HB LEU 44 1.423 -1.328 -2.399 316 HG LEU 44 HG LEU 44 3.036 -0.423 -0.888 317 HD11 LEU 44 1HD1 LEU 44 1.080 1.832 -0.298 318 HD12 LEU 44 2HD1 LEU 44 2.742 1.951 -0.916 319 HD13 LEU 44 3HD1 LEU 44 2.484 1.421 0.730 320 HD21 LEU 44 1HD2 LEU 44 0.327 -0.524 0.523 321 HD22 LEU 44 2HD2 LEU 44 1.919 -0.882 1.236 322 HD23 LEU 44 3HD2 LEU 44 1.237 -1.949 -0.004 323 H LYS 45 HN LYS 45 3.041 -0.500 -5.128 324 HA LYS 45 HA LYS 45 0.863 -0.263 -7.170 325 HB2 LYS 45 2HB LYS 45 3.899 -0.299 -7.530 326 HB3 LYS 45 3HB LYS 45 2.701 0.052 -8.774 327 HG2 LYS 45 2HG LYS 45 3.347 1.803 -6.364 328 HG3 LYS 45 3HG LYS 45 3.774 2.071 -8.055 329 HD2 LYS 45 2HD LYS 45 1.295 2.086 -8.591 330 HD3 LYS 45 3HD LYS 45 0.972 2.139 -6.841 331 HE2 LYS 45 2HE LYS 45 2.138 4.221 -6.582 332 HE3 LYS 45 3HE LYS 45 2.917 4.041 -8.163 333 HZ1 LYS 45 1HZ LYS 45 0.120 4.741 -7.687 334 HZ2 LYS 45 2HZ LYS 45 0.723 4.292 -9.187 335 HZ3 LYS 45 3HZ LYS 45 1.285 5.623 -8.395 336 H LEU 46 HN LEU 46 1.773 -1.742 -9.226 337 HA LEU 46 HA LEU 46 1.334 -4.443 -8.680 338 HB2 LEU 46 2HB LEU 46 1.323 -3.660 -10.963 339 HB3 LEU 46 3HB LEU 46 3.030 -3.224 -10.885 340 HG LEU 46 HG LEU 46 3.640 -5.626 -10.567 341 HD11 LEU 46 1HD1 LEU 46 1.926 -7.378 -11.065 342 HD12 LEU 46 2HD1 LEU 46 0.671 -6.140 -11.006 343 HD13 LEU 46 3HD1 LEU 46 1.596 -6.547 -9.548 344 HD21 LEU 46 1HD2 LEU 46 1.936 -5.305 -13.055 345 HD22 LEU 46 2HD2 LEU 46 3.337 -6.354 -12.810 346 HD23 LEU 46 3HD2 LEU 46 3.551 -4.602 -12.840 347 H LEU 47 HN LEU 47 2.366 -5.818 -7.586 348 HA LEU 47 HA LEU 47 5.180 -5.430 -6.753 349 HB2 LEU 47 2HB LEU 47 4.513 -6.138 -4.580 350 HB3 LEU 47 3HB LEU 47 3.760 -4.673 -5.157 351 HG LEU 47 HG LEU 47 1.698 -6.158 -5.722 352 HD11 LEU 47 1HD1 LEU 47 2.105 -8.108 -3.695 353 HD12 LEU 47 2HD1 LEU 47 3.516 -8.233 -4.777 354 HD13 LEU 47 3HD1 LEU 47 1.906 -8.396 -5.433 355 HD21 LEU 47 1HD2 LEU 47 1.061 -5.940 -3.286 356 HD22 LEU 47 2HD2 LEU 47 1.845 -4.516 -4.016 357 HD23 LEU 47 3HD2 LEU 47 2.786 -5.570 -2.978 358 H SER 48 HN SER 48 2.609 -7.762 -7.370 359 HA SER 48 HA SER 48 2.403 -9.866 -7.985 360 HB2 SER 48 2HB SER 48 5.211 -9.318 -8.747 361 HB3 SER 48 3HB SER 48 4.465 -10.857 -9.186 362 HG SER 48 HG SER 48 2.944 -9.809 -10.435 363 HA PRO 49 HA PRO 49 2.839 -12.117 -8.833 364 HB2 PRO 49 2HB PRO 49 1.982 -14.567 -8.014 365 HB3 PRO 49 3HB PRO 49 3.620 -14.255 -8.648 366 HG2 PRO 49 2HG PRO 49 2.745 -14.489 -5.784 367 HG3 PRO 49 3HG PRO 49 4.199 -15.185 -6.560 368 HD2 PRO 49 2HD PRO 49 4.223 -12.865 -5.070 369 HD3 PRO 49 3HD PRO 49 5.342 -13.146 -6.436 370 H ASP 50 HN ASP 50 0.544 -12.548 -9.185 371 HA ASP 50 HA ASP 50 -1.133 -11.291 -7.071 372 HB2 ASP 50 2HB ASP 50 -2.414 -10.244 -8.839 373 HB3 ASP 50 3HB ASP 50 -0.719 -9.796 -8.910 374 H GLY 51 HN GLY 51 -3.510 -11.813 -8.682 375 HA2 GLY 51 2HA GLY 51 -4.588 -13.819 -9.596 376 HA3 GLY 51 1HA GLY 51 -3.891 -14.735 -8.246 377 H ASP 52 HN ASP 52 -6.760 -14.047 -9.053 378 HA ASP 52 HA ASP 52 -8.006 -12.219 -7.439 379 HB2 ASP 52 2HB ASP 52 -9.022 -14.970 -8.171 380 HB3 ASP 52 3HB ASP 52 -10.005 -13.605 -7.670 381 H ASN 53 HN ASN 53 -6.822 -15.416 -6.610 382 HA ASN 53 HA ASN 53 -8.078 -15.800 -4.090 383 HB2 ASN 53 2HB ASN 53 -6.592 -17.468 -5.361 384 HB3 ASN 53 3HB ASN 53 -5.201 -16.585 -4.794 385 HD21 ASN 53 1HD2 ASN 53 -4.710 -18.802 -3.761 386 HD22 ASN 53 2HD2 ASN 53 -5.456 -19.053 -2.180 387 H ALA 54 HN ALA 54 -4.985 -14.254 -4.926 388 HA ALA 54 HA ALA 54 -4.218 -13.657 -2.190 389 HB1 ALA 54 1HB ALA 54 -3.147 -12.701 -4.891 390 HB2 ALA 54 2HB ALA 54 -2.302 -12.624 -3.325 391 HB3 ALA 54 3HB ALA 54 -2.668 -14.203 -4.079 392 H TRP 55 HN TRP 55 -5.571 -11.833 -4.976 393 HA TRP 55 HA TRP 55 -5.877 -9.262 -3.893 394 HB2 TRP 55 2HB TRP 55 -7.401 -10.938 -5.854 395 HB3 TRP 55 3HB TRP 55 -8.154 -9.489 -5.238 396 HD1 TRP 55 1HD TRP 55 -5.712 -10.548 -7.828 397 HE1 TRP 55 1HE TRP 55 -5.117 -8.488 -9.246 398 HE3 TRP 55 3HE TRP 55 -7.442 -6.920 -4.692 399 HZ2 TRP 55 2HZ TRP 55 -5.574 -5.630 -9.125 400 HZ3 TRP 55 3HZ TRP 55 -7.248 -4.534 -5.302 401 HH2 TRP 55 2HH TRP 55 -6.447 -3.887 -7.564 402 H SER 56 HN SER 56 -8.207 -11.989 -3.649 403 HA SER 56 HA SER 56 -10.049 -10.747 -1.868 404 HB2 SER 56 2HB SER 56 -9.309 -13.704 -1.979 405 HB3 SER 56 3HB SER 56 -10.805 -12.995 -1.348 406 HG SER 56 HG SER 56 -9.843 -12.826 -4.024 407 H VAL 57 HN VAL 57 -7.354 -13.021 -0.942 408 HA VAL 57 HA VAL 57 -7.715 -12.731 1.802 409 HB VAL 57 HB VAL 57 -5.108 -13.210 0.299 410 HG11 VAL 57 1HG1 VAL 57 -4.434 -14.409 2.385 411 HG12 VAL 57 2HG1 VAL 57 -4.646 -12.678 2.665 412 HG13 VAL 57 3HG1 VAL 57 -5.904 -13.815 3.199 413 HG21 VAL 57 1HG2 VAL 57 -6.992 -14.887 -0.157 414 HG22 VAL 57 2HG2 VAL 57 -5.609 -15.587 0.673 415 HG23 VAL 57 3HG2 VAL 57 -7.079 -15.178 1.570 416 H MET 58 HN MET 58 -5.611 -10.605 -0.284 417 HA MET 58 HA MET 58 -4.806 -9.089 2.024 418 HB2 MET 58 2HB MET 58 -3.890 -7.465 0.552 419 HB3 MET 58 3HB MET 58 -3.421 -9.073 0.030 420 HG2 MET 58 2HG MET 58 -4.937 -8.908 -1.878 421 HG3 MET 58 3HG MET 58 -5.617 -7.406 -1.247 422 HE1 MET 58 1HE MET 58 -5.375 -5.916 -3.112 423 HE2 MET 58 2HE MET 58 -3.932 -5.709 -4.138 424 HE3 MET 58 3HE MET 58 -4.821 -7.243 -4.155 425 H TYR 59 HN TYR 59 -7.503 -8.661 -0.337 426 HA TYR 59 HA TYR 59 -8.382 -6.142 0.578 427 HB2 TYR 59 2HB TYR 59 -9.187 -7.066 -1.505 428 HB3 TYR 59 3HB TYR 59 -9.887 -8.455 -0.697 429 HD1 TYR 59 1HD TYR 59 -11.961 -8.320 0.551 430 HD2 TYR 59 2HD TYR 59 -10.302 -4.822 -1.316 431 HE1 TYR 59 1HE TYR 59 -14.074 -7.123 0.935 432 HE2 TYR 59 2HE TYR 59 -12.430 -3.617 -0.976 433 HH TYR 59 HH TYR 59 -14.824 -3.960 -0.459 434 H LYS 60 HN LYS 60 -9.336 -9.481 1.671 435 HA LYS 60 HA LYS 60 -11.315 -8.583 3.492 436 HB2 LYS 60 2HB LYS 60 -9.582 -11.088 3.677 437 HB3 LYS 60 3HB LYS 60 -11.099 -10.766 4.518 438 HG2 LYS 60 2HG LYS 60 -12.139 -10.581 2.107 439 HG3 LYS 60 3HG LYS 60 -10.701 -11.385 1.599 440 HD2 LYS 60 2HD LYS 60 -12.627 -12.553 3.605 441 HD3 LYS 60 3HD LYS 60 -12.401 -13.027 1.909 442 HE2 LYS 60 2HE LYS 60 -9.951 -13.471 2.459 443 HE3 LYS 60 3HE LYS 60 -10.365 -13.215 4.162 444 HZ1 LYS 60 1HZ LYS 60 -10.343 -15.490 3.628 445 HZ2 LYS 60 2HZ LYS 60 -11.392 -15.318 2.377 446 HZ3 LYS 60 3HZ LYS 60 -11.911 -15.109 3.943 447 H LEU 61 HN LEU 61 -7.822 -9.353 3.950 448 HA LEU 61 HA LEU 61 -7.722 -8.625 6.709 449 HB2 LEU 61 2HB LEU 61 -5.708 -8.935 4.486 450 HB3 LEU 61 3HB LEU 61 -5.233 -7.943 5.846 451 HG LEU 61 HG LEU 61 -4.442 -10.223 6.071 452 HD11 LEU 61 1HD1 LEU 61 -4.793 -8.848 8.064 453 HD12 LEU 61 2HD1 LEU 61 -5.094 -10.564 8.403 454 HD13 LEU 61 3HD1 LEU 61 -6.452 -9.459 8.224 455 HD21 LEU 61 1HD2 LEU 61 -7.349 -11.040 6.316 456 HD22 LEU 61 2HD2 LEU 61 -5.928 -12.070 6.601 457 HD23 LEU 61 3HD2 LEU 61 -6.256 -11.436 4.978 458 H SER 62 HN SER 62 -7.348 -6.633 3.742 459 HA SER 62 HA SER 62 -6.603 -4.239 5.010 460 HB2 SER 62 2HB SER 62 -7.974 -4.948 2.415 461 HB3 SER 62 3HB SER 62 -7.758 -3.277 2.842 462 HG SER 62 HG SER 62 -5.455 -3.939 3.249 463 H GLN 63 HN GLN 63 -9.964 -5.411 4.270 464 HA GLN 63 HA GLN 63 -11.296 -3.177 5.481 465 HB2 GLN 63 2HB GLN 63 -12.102 -6.101 5.222 466 HB3 GLN 63 3HB GLN 63 -13.134 -4.862 5.940 467 HG2 GLN 63 2HG GLN 63 -12.736 -3.601 3.674 468 HG3 GLN 63 3HG GLN 63 -12.348 -5.214 3.056 469 HE21 GLN 63 1HE2 GLN 63 -14.247 -6.834 4.530 470 HE22 GLN 63 2HE2 GLN 63 -15.852 -6.274 4.095 471 H ALA 64 HN ALA 64 -10.158 -6.293 6.835 472 HA ALA 64 HA ALA 64 -11.130 -5.874 9.452 473 HB1 ALA 64 1HB ALA 64 -9.629 -7.609 10.162 474 HB2 ALA 64 2HB ALA 64 -10.318 -8.040 8.584 475 HB3 ALA 64 3HB ALA 64 -8.643 -7.452 8.701 476 H LEU 65 HN LEU 65 -7.835 -5.095 8.201 477 HA LEU 65 HA LEU 65 -6.796 -3.874 10.535 478 HB2 LEU 65 2HB LEU 65 -6.197 -3.848 7.560 479 HB3 LEU 65 3HB LEU 65 -5.482 -2.619 8.574 480 HG LEU 65 HG LEU 65 -4.571 -4.372 10.072 481 HD11 LEU 65 1HD1 LEU 65 -5.154 -6.249 7.759 482 HD12 LEU 65 2HD1 LEU 65 -5.939 -6.322 9.357 483 HD13 LEU 65 3HD1 LEU 65 -4.200 -6.613 9.197 484 HD21 LEU 65 1HD2 LEU 65 -3.681 -4.283 7.163 485 HD22 LEU 65 2HD2 LEU 65 -2.666 -4.871 8.504 486 HD23 LEU 65 3HD2 LEU 65 -3.190 -3.174 8.451 487 H SER 66 HN SER 66 -8.517 -2.473 7.738 488 HA SER 66 HA SER 66 -8.484 0.252 8.513 489 HB2 SER 66 2HB SER 66 -9.044 -0.466 6.276 490 HB3 SER 66 3HB SER 66 -10.413 -1.422 6.855 491 HG SER 66 HG SER 66 -11.584 0.308 7.121 492 H ASP 67 HN ASP 67 -10.581 -2.436 9.547 493 HA ASP 67 HA ASP 67 -12.529 -0.836 10.872 494 HB2 ASP 67 2HB ASP 67 -12.517 -3.339 10.162 495 HB3 ASP 67 3HB ASP 67 -11.731 -3.634 11.707 496 H ILE 68 HN ILE 68 -9.229 -1.493 11.754 497 HA ILE 68 HA ILE 68 -9.738 -1.081 14.612 498 HB ILE 68 HB ILE 68 -7.054 -1.671 13.338 499 HG12 ILE 68 2HG1 ILE 68 -8.308 -3.404 12.443 500 HG13 ILE 68 3HG1 ILE 68 -7.384 -4.035 13.775 501 HG21 ILE 68 1HG2 ILE 68 -7.021 -0.946 15.644 502 HG22 ILE 68 2HG2 ILE 68 -8.241 -2.157 16.082 503 HG23 ILE 68 3HG2 ILE 68 -6.632 -2.673 15.548 504 HD11 ILE 68 1HD1 ILE 68 -9.393 -4.063 15.227 505 HD12 ILE 68 2HD1 ILE 68 -10.377 -3.440 13.896 506 HD13 ILE 68 3HD1 ILE 68 -9.622 -5.025 13.756 507 H GLU 69 HN GLU 69 -7.265 0.059 12.253 508 HA GLU 69 HA GLU 69 -7.753 2.823 12.911 509 HB2 GLU 69 2HB GLU 69 -5.684 3.329 14.055 510 HB3 GLU 69 3HB GLU 69 -6.605 2.150 14.990 511 HG2 GLU 69 2HG GLU 69 -5.239 0.324 14.129 512 HG3 GLU 69 3HG GLU 69 -4.364 1.420 13.083 513 H VAL 70 HN VAL 70 -7.049 0.737 10.562 514 HA VAL 70 HA VAL 70 -4.816 2.364 9.401 515 HB VAL 70 HB VAL 70 -5.273 -0.592 9.042 516 HG11 VAL 70 1HG1 VAL 70 -2.721 1.036 8.825 517 HG12 VAL 70 2HG1 VAL 70 -2.947 -0.661 8.359 518 HG13 VAL 70 3HG1 VAL 70 -3.739 0.631 7.434 519 HG21 VAL 70 1HG2 VAL 70 -3.469 0.636 11.143 520 HG22 VAL 70 2HG2 VAL 70 -4.922 -0.354 11.448 521 HG23 VAL 70 3HG2 VAL 70 -3.524 -1.080 10.677 522 HA PRO 71 HA PRO 71 -8.460 2.202 6.512 523 HB2 PRO 71 2HB PRO 71 -8.725 4.812 5.836 524 HB3 PRO 71 3HB PRO 71 -9.453 4.077 7.302 525 HG2 PRO 71 2HG PRO 71 -6.872 5.669 7.096 526 HG3 PRO 71 3HG PRO 71 -8.171 5.831 8.313 527 HD2 PRO 71 2HD PRO 71 -5.891 4.386 8.791 528 HD3 PRO 71 3HD PRO 71 -7.481 3.895 9.454 529 H CYS 72 HN CYS 72 -7.584 1.239 4.911 530 HA CYS 72 HA CYS 72 -5.505 2.422 3.148 531 HB2 CYS 72 2HB CYS 72 -5.692 0.111 2.006 532 HB3 CYS 72 3HB CYS 72 -5.001 0.078 3.594 533 HG CYS 72 HG CYS 72 -8.162 -0.437 2.705 534 H SER 73 HN SER 73 -6.083 1.650 0.728 535 HA SER 73 HA SER 73 -8.939 1.493 0.157 536 HB2 SER 73 2HB SER 73 -7.870 3.914 -0.249 537 HB3 SER 73 3HB SER 73 -7.261 3.139 -1.729 538 HG SER 73 HG SER 73 -9.438 4.293 -1.601 539 H VAL 74 HN VAL 74 -9.027 -0.489 -0.918 540 HA VAL 74 HA VAL 74 -6.600 -1.551 -2.227 541 HB VAL 74 HB VAL 74 -9.232 -2.875 -1.431 542 HG11 VAL 74 1HG1 VAL 74 -6.576 -4.045 -2.389 543 HG12 VAL 74 2HG1 VAL 74 -7.874 -5.004 -1.664 544 HG13 VAL 74 3HG1 VAL 74 -8.157 -4.159 -3.186 545 HG21 VAL 74 1HG2 VAL 74 -7.951 -3.886 0.408 546 HG22 VAL 74 2HG2 VAL 74 -6.569 -2.845 0.033 547 HG23 VAL 74 3HG2 VAL 74 -8.096 -2.139 0.591 548 H LEU 75 HN LEU 75 -6.548 -0.719 -4.395 549 HA LEU 75 HA LEU 75 -9.041 -1.061 -5.958 550 HB2 LEU 75 2HB LEU 75 -7.335 1.437 -5.783 551 HB3 LEU 75 3HB LEU 75 -8.655 1.200 -6.932 552 HG LEU 75 HG LEU 75 -8.948 1.324 -3.913 553 HD11 LEU 75 1HD1 LEU 75 -9.858 3.572 -4.244 554 HD12 LEU 75 2HD1 LEU 75 -9.522 3.452 -5.983 555 HD13 LEU 75 3HD1 LEU 75 -8.184 3.469 -4.817 556 HD21 LEU 75 1HD2 LEU 75 -11.037 1.465 -6.132 557 HD22 LEU 75 2HD2 LEU 75 -11.361 1.639 -4.383 558 HD23 LEU 75 3HD2 LEU 75 -10.811 0.088 -5.054 559 H GLU 76 HN GLU 76 -8.356 -0.454 -8.300 560 HA GLU 76 HA GLU 76 -5.647 -1.486 -8.930 561 HB2 GLU 76 2HB GLU 76 -6.797 -2.185 -11.134 562 HB3 GLU 76 3HB GLU 76 -6.986 -3.202 -9.723 563 HG2 GLU 76 2HG GLU 76 -9.104 -1.122 -10.294 564 HG3 GLU 76 3HG GLU 76 -9.030 -2.573 -11.283 565 H CYS 77 HN CYS 77 -4.864 -0.673 -11.030 566 HA CYS 77 HA CYS 77 -5.809 1.996 -11.875 567 HB2 CYS 77 2HB CYS 77 -4.096 2.309 -10.047 568 HB3 CYS 77 3HB CYS 77 -2.965 1.312 -11.002 569 HG CYS 77 HG CYS 77 -2.856 2.853 -13.071 570 H GLU 78 HN GLU 78 -5.892 1.893 -14.000 571 HA GLU 78 HA GLU 78 -5.681 1.352 -16.138 572 HB2 GLU 78 2HB GLU 78 -2.819 0.588 -15.429 573 HB3 GLU 78 3HB GLU 78 -3.470 0.866 -17.046 574 HG2 GLU 78 2HG GLU 78 -4.102 3.166 -16.442 575 HG3 GLU 78 3HG GLU 78 -3.422 2.951 -14.824 576 H GLY 79 HN GLY 79 -3.869 -1.338 -14.606 577 HA2 GLY 79 2HA GLY 79 -6.123 -3.138 -14.858 578 HA3 GLY 79 1HA GLY 79 -4.814 -3.545 -15.977 579 H GLU 80 HN GLU 80 -3.692 -2.029 -13.035 580 HA GLU 80 HA GLU 80 -2.682 -4.649 -12.072 581 HB2 GLU 80 2HB GLU 80 -1.425 -1.981 -12.736 582 HB3 GLU 80 3HB GLU 80 -0.841 -2.805 -11.308 583 HG2 GLU 80 2HG GLU 80 0.578 -3.423 -13.065 584 HG3 GLU 80 3HG GLU 80 -0.372 -4.841 -12.612 585 HA PRO 81 HA PRO 81 -4.285 -3.503 -8.120 586 HB2 PRO 81 2HB PRO 81 -2.563 -4.643 -6.335 587 HB3 PRO 81 3HB PRO 81 -3.604 -5.597 -7.389 588 HG2 PRO 81 2HG PRO 81 -0.709 -4.909 -7.892 589 HG3 PRO 81 3HG PRO 81 -1.501 -6.512 -8.003 590 HD2 PRO 81 2HD PRO 81 -1.119 -4.990 -10.208 591 HD3 PRO 81 3HD PRO 81 -2.635 -5.920 -9.992 592 H CYS 82 HN CYS 82 -4.325 -1.655 -7.003 593 HA CYS 82 HA CYS 82 -1.818 -0.313 -6.245 594 HB2 CYS 82 2HB CYS 82 -4.179 0.942 -7.635 595 HB3 CYS 82 3HB CYS 82 -3.143 1.860 -6.522 596 HG CYS 82 HG CYS 82 -2.326 2.378 -8.926 597 H LEU 83 HN LEU 83 -1.804 -0.764 -4.176 598 HA LEU 83 HA LEU 83 -4.215 -0.358 -2.465 599 HB2 LEU 83 2HB LEU 83 -1.668 -1.807 -2.154 600 HB3 LEU 83 3HB LEU 83 -1.793 -0.565 -0.926 601 HG LEU 83 HG LEU 83 -2.607 -2.682 -0.118 602 HD11 LEU 83 1HD1 LEU 83 -3.587 -0.535 0.711 603 HD12 LEU 83 2HD1 LEU 83 -4.562 -1.985 0.967 604 HD13 LEU 83 3HD1 LEU 83 -4.995 -0.861 -0.323 605 HD21 LEU 83 1HD2 LEU 83 -3.416 -3.693 -2.196 606 HD22 LEU 83 2HD2 LEU 83 -4.734 -2.523 -2.314 607 HD23 LEU 83 3HD2 LEU 83 -4.701 -3.695 -0.983 608 H PHE 84 HN PHE 84 -4.302 1.324 -1.055 609 HA PHE 84 HA PHE 84 -2.276 3.497 -1.220 610 HB2 PHE 84 2HB PHE 84 -5.306 3.801 -1.164 611 HB3 PHE 84 3HB PHE 84 -4.145 5.108 -1.124 612 HD1 PHE 84 1HD PHE 84 -3.136 5.948 -3.149 613 HD2 PHE 84 2HD PHE 84 -5.570 2.405 -3.332 614 HE1 PHE 84 1HE PHE 84 -3.173 6.110 -5.592 615 HE2 PHE 84 2HE PHE 84 -5.525 2.534 -5.798 616 HZ PHE 84 HZ PHE 84 -4.352 4.391 -6.945 617 H VAL 85 HN VAL 85 -1.729 4.195 0.864 618 HA VAL 85 HA VAL 85 -3.303 3.373 3.201 619 HB VAL 85 HB VAL 85 -0.909 2.585 4.070 620 HG11 VAL 85 1HG1 VAL 85 -2.954 1.250 4.209 621 HG12 VAL 85 2HG1 VAL 85 -2.744 0.738 2.519 622 HG13 VAL 85 3HG1 VAL 85 -1.564 0.253 3.755 623 HG21 VAL 85 1HG2 VAL 85 0.427 1.338 2.582 624 HG22 VAL 85 2HG2 VAL 85 -0.726 1.546 1.245 625 HG23 VAL 85 3HG2 VAL 85 0.198 2.935 1.859 626 H ASN 86 HN ASN 86 -1.840 4.281 5.269 627 HA ASN 86 HA ASN 86 -1.830 7.109 4.568 628 HB2 ASN 86 2HB ASN 86 -1.653 5.625 7.202 629 HB3 ASN 86 3HB ASN 86 -1.549 7.370 7.069 630 HD21 ASN 86 1HD2 ASN 86 -3.576 4.514 6.606 631 HD22 ASN 86 2HD2 ASN 86 -5.064 5.333 6.261 632 H ARG 87 HN ARG 87 0.270 5.682 6.890 633 HA ARG 87 HA ARG 87 2.653 6.401 5.226 634 HB2 ARG 87 2HB ARG 87 1.757 8.392 6.610 635 HB3 ARG 87 3HB ARG 87 2.275 7.516 8.031 636 HG2 ARG 87 2HG ARG 87 4.117 8.802 7.704 637 HG3 ARG 87 3HG ARG 87 4.599 7.424 6.721 638 HD2 ARG 87 2HD ARG 87 4.011 8.617 4.677 639 HD3 ARG 87 3HD ARG 87 3.220 9.907 5.607 640 HE ARG 87 HE ARG 87 5.852 9.713 6.558 641 HH11 ARG 87 1HH1 ARG 87 4.599 10.356 3.257 642 HH12 ARG 87 2HH1 ARG 87 5.929 11.333 2.844 643 HH21 ARG 87 1HH2 ARG 87 7.399 11.321 6.116 644 HH22 ARG 87 2HH2 ARG 87 7.614 11.799 4.479 645 H GLN 88 HN GLN 88 2.213 5.435 8.637 646 HA GLN 88 HA GLN 88 4.601 3.650 8.390 647 HB2 GLN 88 2HB GLN 88 3.673 2.918 10.798 648 HB3 GLN 88 3HB GLN 88 4.742 4.281 10.553 649 HG2 GLN 88 2HG GLN 88 1.748 4.616 10.640 650 HG3 GLN 88 3HG GLN 88 2.699 4.538 12.069 651 HE21 GLN 88 1HE2 GLN 88 1.222 6.812 10.657 652 HE22 GLN 88 2HE2 GLN 88 2.438 8.110 10.511 653 H ASP 89 HN ASP 89 1.289 3.569 8.100 654 HA ASP 89 HA ASP 89 0.365 0.983 8.217 655 HB2 ASP 89 2HB ASP 89 0.122 2.996 5.950 656 HB3 ASP 89 3HB ASP 89 -0.747 1.453 5.979 657 H GLU 90 HN GLU 90 2.774 2.345 5.887 658 HA GLU 90 HA GLU 90 2.528 0.325 4.017 659 HB2 GLU 90 2HB GLU 90 4.684 1.116 3.115 660 HB3 GLU 90 3HB GLU 90 3.636 2.453 3.594 661 HG2 GLU 90 2HG GLU 90 5.025 2.287 5.882 662 HG3 GLU 90 3HG GLU 90 6.191 1.459 4.858 663 H PHE 91 HN PHE 91 4.937 0.699 6.558 664 HA PHE 91 HA PHE 91 6.262 -1.825 6.174 665 HB2 PHE 91 2HB PHE 91 7.701 -1.131 7.816 666 HB3 PHE 91 3HB PHE 91 7.421 0.129 6.657 667 HD1 PHE 91 1HD PHE 91 6.182 -0.892 10.042 668 HD2 PHE 91 2HD PHE 91 7.466 2.251 7.427 669 HE1 PHE 91 1HE PHE 91 6.092 0.719 11.961 670 HE2 PHE 91 2HE PHE 91 7.422 3.870 9.324 671 HZ PHE 91 HZ PHE 91 6.745 3.089 11.595 672 H ALA 92 HN ALA 92 3.953 -0.491 8.474 673 HA ALA 92 HA ALA 92 3.786 -2.736 10.208 674 HB1 ALA 92 1HB ALA 92 2.897 -0.483 10.654 675 HB2 ALA 92 2HB ALA 92 1.693 -0.683 9.370 676 HB3 ALA 92 3HB ALA 92 1.621 -1.720 10.824 677 H ALA 93 HN ALA 93 1.893 -1.927 7.216 678 HA ALA 93 HA ALA 93 0.244 -4.210 7.212 679 HB1 ALA 93 1HB ALA 93 -0.251 -2.326 5.751 680 HB2 ALA 93 2HB ALA 93 1.283 -2.536 4.880 681 HB3 ALA 93 3HB ALA 93 0.001 -3.769 4.763 682 H THR 94 HN THR 94 3.404 -3.679 5.419 683 HA THR 94 HA THR 94 3.349 -6.338 4.381 684 HB THR 94 HB THR 94 4.656 -4.527 3.389 685 HG1 THR 94 1HG THR 94 6.210 -5.731 2.705 686 HG21 THR 94 1HG2 THR 94 6.641 -4.864 5.672 687 HG22 THR 94 2HG2 THR 94 5.456 -3.554 5.517 688 HG23 THR 94 3HG2 THR 94 6.708 -3.704 4.315 689 H CYS 95 HN CYS 95 4.820 -4.995 7.404 690 HA CYS 95 HA CYS 95 6.120 -7.268 8.300 691 HB2 CYS 95 2HB CYS 95 6.287 -4.985 9.284 692 HB3 CYS 95 3HB CYS 95 4.680 -5.198 10.009 693 HG CYS 95 HG CYS 95 7.574 -6.694 10.526 694 H ARG 96 HN ARG 96 2.635 -6.422 9.012 695 HA ARG 96 HA ARG 96 2.359 -9.044 10.313 696 HB2 ARG 96 2HB ARG 96 -0.216 -8.473 9.957 697 HB3 ARG 96 3HB ARG 96 0.769 -8.011 11.328 698 HG2 ARG 96 2HG ARG 96 0.902 -5.755 10.595 699 HG3 ARG 96 3HG ARG 96 0.156 -6.127 9.013 700 HD2 ARG 96 2HD ARG 96 -1.949 -6.547 9.971 701 HD3 ARG 96 3HD ARG 96 -1.268 -6.921 11.557 702 HE ARG 96 HE ARG 96 -0.787 -4.196 11.124 703 HH11 ARG 96 1HH1 ARG 96 -3.369 -6.478 11.842 704 HH12 ARG 96 2HH1 ARG 96 -4.277 -5.416 12.865 705 HH21 ARG 96 1HH2 ARG 96 -2.022 -2.666 12.256 706 HH22 ARG 96 2HH2 ARG 96 -3.381 -3.123 13.221 707 H LEU 97 HN LEU 97 1.578 -7.839 7.026 708 HA LEU 97 HA LEU 97 0.118 -10.251 6.432 709 HB2 LEU 97 2HB LEU 97 1.112 -7.929 4.797 710 HB3 LEU 97 3HB LEU 97 0.410 -9.330 4.025 711 HG LEU 97 HG LEU 97 -1.100 -7.313 4.513 712 HD11 LEU 97 1HD1 LEU 97 -1.892 -9.438 3.625 713 HD12 LEU 97 2HD1 LEU 97 -3.055 -8.782 4.767 714 HD13 LEU 97 3HD1 LEU 97 -1.999 -10.124 5.268 715 HD21 LEU 97 1HD2 LEU 97 -2.392 -7.290 6.552 716 HD22 LEU 97 2HD2 LEU 97 -0.701 -6.985 6.916 717 HD23 LEU 97 3HD2 LEU 97 -1.404 -8.587 7.257 718 H LYS 98 HN LYS 98 3.550 -9.537 6.326 719 HA LYS 98 HA LYS 98 4.478 -11.666 4.730 720 HB2 LYS 98 2HB LYS 98 5.537 -10.131 7.060 721 HB3 LYS 98 3HB LYS 98 6.044 -11.788 7.080 722 HG2 LYS 98 2HG LYS 98 7.697 -11.296 5.664 723 HG3 LYS 98 3HG LYS 98 6.516 -11.065 4.400 724 HD2 LYS 98 2HD LYS 98 6.350 -8.625 5.451 725 HD3 LYS 98 3HD LYS 98 7.908 -9.012 6.149 726 HE2 LYS 98 2HE LYS 98 7.125 -8.781 3.201 727 HE3 LYS 98 3HE LYS 98 8.161 -7.709 4.119 728 HZ1 LYS 98 1HZ LYS 98 9.820 -9.468 4.251 729 HZ2 LYS 98 2HZ LYS 98 9.458 -9.171 2.728 730 HZ3 LYS 98 3HZ LYS 98 8.806 -10.502 3.381 731 H ASN 99 HN ASN 99 3.116 -11.767 8.050 732 HA ASN 99 HA ASN 99 3.609 -14.556 8.418 733 HB2 ASN 99 2HB ASN 99 2.536 -12.390 9.968 734 HB3 ASN 99 3HB ASN 99 1.288 -13.636 9.921 735 HD21 ASN 99 1HD2 ASN 99 3.803 -12.666 11.797 736 HD22 ASN 99 2HD2 ASN 99 4.402 -14.232 12.279 737 H PHE 100 HN PHE 100 0.794 -12.775 7.140 738 HA PHE 100 HA PHE 100 -0.822 -15.131 6.716 739 HB2 PHE 100 2HB PHE 100 -0.973 -12.266 5.914 740 HB3 PHE 100 3HB PHE 100 -1.758 -13.409 4.841 741 HD1 PHE 100 1HD PHE 100 -3.518 -14.956 5.634 742 HD2 PHE 100 2HD PHE 100 -1.877 -11.917 8.219 743 HE1 PHE 100 1HE PHE 100 -5.373 -15.318 7.244 744 HE2 PHE 100 2HE PHE 100 -3.755 -12.279 9.812 745 HZ PHE 100 HZ PHE 100 -5.499 -13.963 9.324 746 H GLY 101 HN GLY 101 2.074 -14.096 5.216 747 HA2 GLY 101 2HA GLY 101 3.335 -15.215 3.706 748 HA3 GLY 101 1HA GLY 101 2.103 -16.480 3.690 749 H VAL 102 HN VAL 102 1.309 -13.124 2.815 750 HA VAL 102 HA VAL 102 0.685 -14.080 0.065 751 HB VAL 102 HB VAL 102 -0.921 -12.226 -0.011 752 HG11 VAL 102 1HG1 VAL 102 -1.431 -14.012 2.398 753 HG12 VAL 102 2HG1 VAL 102 -2.615 -13.263 1.305 754 HG13 VAL 102 3HG1 VAL 102 -1.556 -14.551 0.716 755 HG21 VAL 102 1HG2 VAL 102 -1.656 -11.082 2.014 756 HG22 VAL 102 2HG2 VAL 102 -0.349 -11.823 2.963 757 HG23 VAL 102 3HG2 VAL 102 0.021 -10.678 1.654 758 H ALA 103 HN ALA 103 0.764 -12.296 -1.620 759 HA ALA 103 HA ALA 103 3.449 -11.192 -1.727 760 HB1 ALA 103 1HB ALA 103 2.738 -10.447 -3.940 761 HB2 ALA 103 2HB ALA 103 2.314 -12.141 -3.707 762 HB3 ALA 103 3HB ALA 103 1.054 -10.890 -3.591 763 H ILE 104 HN ILE 104 4.030 -9.008 -1.403 764 HA ILE 104 HA ILE 104 2.042 -7.071 -0.496 765 HB ILE 104 HB ILE 104 3.417 -6.852 1.654 766 HG12 ILE 104 2HG1 ILE 104 4.486 -9.566 0.775 767 HG13 ILE 104 3HG1 ILE 104 5.383 -8.122 1.239 768 HG21 ILE 104 1HG2 ILE 104 1.841 -9.419 1.420 769 HG22 ILE 104 2HG2 ILE 104 2.021 -8.332 2.811 770 HG23 ILE 104 3HG2 ILE 104 1.093 -7.800 1.418 771 HD11 ILE 104 1HD1 ILE 104 4.509 -8.428 3.580 772 HD12 ILE 104 2HD1 ILE 104 3.693 -9.912 3.050 773 HD13 ILE 104 3HD1 ILE 104 5.445 -9.819 2.968 774 H ALA 105 HN ALA 105 3.409 -5.108 0.373 775 HA ALA 105 HA ALA 105 4.826 -4.118 -1.944 776 HB1 ALA 105 1HB ALA 105 4.450 -2.905 0.828 777 HB2 ALA 105 2HB ALA 105 4.897 -2.043 -0.656 778 HB3 ALA 105 3HB ALA 105 3.294 -2.774 -0.524 779 H GLU 106 HN GLU 106 6.829 -2.621 -1.102 780 HA GLU 106 HA GLU 106 9.088 -4.238 -0.634 781 HB2 GLU 106 2HB GLU 106 10.161 -2.154 0.188 782 HB3 GLU 106 3HB GLU 106 9.464 -2.014 -1.420 783 HG2 GLU 106 2HG GLU 106 7.816 -0.515 -0.729 784 HG3 GLU 106 3HG GLU 106 7.814 -1.080 0.935 785 HA PRO 107 HA PRO 107 8.459 -5.073 3.699 786 HB2 PRO 107 2HB PRO 107 10.978 -5.717 4.554 787 HB3 PRO 107 3HB PRO 107 9.978 -6.818 3.544 788 HG2 PRO 107 2HG PRO 107 12.194 -4.990 2.593 789 HG3 PRO 107 3HG PRO 107 11.867 -6.675 2.112 790 HD2 PRO 107 2HD PRO 107 11.084 -4.493 0.626 791 HD3 PRO 107 3HD PRO 107 10.123 -6.003 0.676 792 H PHE 108 HN PHE 108 8.578 -4.140 5.600 793 HA PHE 108 HA PHE 108 9.078 -1.805 6.400 794 HB2 PHE 108 2HB PHE 108 8.060 -3.642 7.544 795 HB3 PHE 108 3HB PHE 108 9.570 -4.574 7.619 796 HD1 PHE 108 1HD PHE 108 7.315 -2.557 9.339 797 HD2 PHE 108 2HD PHE 108 11.428 -3.707 9.118 798 HE1 PHE 108 1HE PHE 108 7.679 -1.647 11.670 799 HE2 PHE 108 2HE PHE 108 11.818 -2.782 11.429 800 HZ PHE 108 HZ PHE 108 9.941 -1.747 12.681 801 H SER 109 HN SER 109 10.636 -0.699 5.632 802 HA SER 109 HA SER 109 13.464 -1.152 6.410 803 HB2 SER 109 2HB SER 109 12.278 -1.106 3.847 804 HB3 SER 109 3HB SER 109 12.938 0.486 4.011 805 HG SER 109 HG SER 109 14.964 -0.429 4.437 806 H ASN 110 HN ASN 110 14.253 1.423 5.383 807 HA ASN 110 HA ASN 110 13.270 3.402 7.284 808 HB2 ASN 110 2HB ASN 110 15.602 3.215 6.130 809 HB3 ASN 110 3HB ASN 110 14.816 3.888 4.703 810 HD21 ASN 110 1HD2 ASN 110 16.636 5.484 5.173 811 HD22 ASN 110 2HD2 ASN 110 16.357 6.761 6.357 812 H TYR 111 HN TYR 111 12.876 5.561 5.653 813 HA TYR 111 HA TYR 111 10.174 5.543 4.977 814 HB2 TYR 111 2HB TYR 111 10.826 7.874 4.161 815 HB3 TYR 111 3HB TYR 111 11.133 7.468 5.821 816 HD1 TYR 111 1HD TYR 111 13.523 6.313 3.102 817 HD2 TYR 111 2HD TYR 111 12.672 9.280 6.144 818 HE1 TYR 111 1HE TYR 111 15.759 7.164 2.867 819 HE2 TYR 111 2HE TYR 111 15.020 10.052 5.987 820 HH TYR 111 HH TYR 111 17.471 8.430 4.139 821 H ASN 112 HN ASN 112 10.407 3.624 3.388 822 HA ASN 112 HA ASN 112 10.155 2.738 1.333 823 HB2 ASN 112 2HB ASN 112 9.486 5.517 0.335 824 HB3 ASN 112 3HB ASN 112 9.240 3.999 -0.507 825 HD21 ASN 112 1HD2 ASN 112 8.381 5.269 2.737 826 HD22 ASN 112 2HD2 ASN 112 6.717 4.740 2.619 827 HA PRO 113 HA PRO 113 14.369 4.333 0.175 828 HB2 PRO 113 2HB PRO 113 15.936 2.188 0.670 829 HB3 PRO 113 3HB PRO 113 15.229 3.188 1.982 830 HG2 PRO 113 2HG PRO 113 14.118 0.582 0.884 831 HG3 PRO 113 3HG PRO 113 14.528 0.998 2.575 832 HD2 PRO 113 2HD PRO 113 11.989 1.314 1.567 833 HD3 PRO 113 3HD PRO 113 12.661 2.459 2.767 834 H PHE 114 HN PHE 114 12.445 1.784 -1.013 835 HA PHE 114 HA PHE 114 14.178 0.958 -3.261 836 HB2 PHE 114 2HB PHE 114 11.269 0.375 -2.598 837 HB3 PHE 114 3HB PHE 114 12.093 -0.242 -4.018 838 HD1 PHE 114 1HD PHE 114 11.971 -0.441 -0.306 839 HD2 PHE 114 2HD PHE 114 13.649 -2.087 -3.913 840 HE1 PHE 114 1HE PHE 114 12.615 -2.475 0.933 841 HE2 PHE 114 2HE PHE 114 14.315 -4.133 -2.652 842 HZ PHE 114 HZ PHE 114 13.744 -4.361 -0.259 Start of MODEL 4 1 H THR 2 HN THR 2 10.477 -12.964 3.157 2 HA THR 2 HA THR 2 11.112 -15.557 4.472 3 HB THR 2 HB THR 2 8.825 -16.249 3.636 4 HG1 THR 2 1HG THR 2 8.572 -14.558 2.214 5 HG21 THR 2 1HG2 THR 2 7.565 -15.408 5.484 6 HG22 THR 2 2HG2 THR 2 8.601 -13.981 5.656 7 HG23 THR 2 3HG2 THR 2 9.236 -15.592 6.044 8 H SER 3 HN SER 3 12.904 -15.834 3.048 9 HA SER 3 HA SER 3 14.030 -16.250 1.167 10 HB2 SER 3 2HB SER 3 11.396 -16.948 -0.141 11 HB3 SER 3 3HB SER 3 13.012 -17.481 -0.592 12 HG SER 3 HG SER 3 12.087 -19.100 0.577 13 H LEU 4 HN LEU 4 13.989 -15.697 -1.445 14 HA LEU 4 HA LEU 4 13.435 -12.760 -1.479 15 HB2 LEU 4 2HB LEU 4 15.942 -14.244 -2.310 16 HB3 LEU 4 3HB LEU 4 15.650 -12.545 -2.635 17 HG LEU 4 HG LEU 4 15.893 -13.810 0.108 18 HD11 LEU 4 1HD1 LEU 4 18.024 -13.683 -1.061 19 HD12 LEU 4 2HD1 LEU 4 17.969 -12.460 0.212 20 HD13 LEU 4 3HD1 LEU 4 17.738 -11.972 -1.474 21 HD21 LEU 4 1HD2 LEU 4 15.531 -10.875 -0.629 22 HD22 LEU 4 2HD2 LEU 4 15.954 -11.478 0.986 23 HD23 LEU 4 3HD2 LEU 4 14.386 -11.865 0.285 24 H GLN 5 HN GLN 5 12.183 -15.243 -2.807 25 HA GLN 5 HA GLN 5 12.322 -14.822 -5.649 26 HB2 GLN 5 2HB GLN 5 11.600 -16.880 -4.222 27 HB3 GLN 5 3HB GLN 5 10.056 -16.060 -4.058 28 HG2 GLN 5 2HG GLN 5 10.180 -15.962 -6.724 29 HG3 GLN 5 3HG GLN 5 11.454 -17.144 -6.507 30 HE21 GLN 5 1HE2 GLN 5 8.098 -16.493 -5.278 31 HE22 GLN 5 2HE2 GLN 5 7.518 -18.119 -5.547 32 H LEU 6 HN LEU 6 11.788 -12.314 -4.109 33 HA LEU 6 HA LEU 6 9.309 -11.388 -5.308 34 HB2 LEU 6 2HB LEU 6 8.518 -10.510 -3.144 35 HB3 LEU 6 3HB LEU 6 8.328 -12.214 -3.437 36 HG LEU 6 HG LEU 6 9.044 -11.314 -1.103 37 HD11 LEU 6 1HD1 LEU 6 10.086 -13.397 -0.501 38 HD12 LEU 6 2HD1 LEU 6 10.441 -13.758 -2.198 39 HD13 LEU 6 3HD1 LEU 6 8.770 -13.698 -1.641 40 HD21 LEU 6 1HD2 LEU 6 10.954 -10.034 -1.708 41 HD22 LEU 6 2HD2 LEU 6 11.763 -11.426 -2.405 42 HD23 LEU 6 3HD2 LEU 6 11.464 -11.362 -0.658 43 H SER 7 HN SER 7 12.108 -10.766 -5.825 44 HA SER 7 HA SER 7 12.779 -8.176 -4.882 45 HB2 SER 7 2HB SER 7 13.316 -8.851 -7.735 46 HB3 SER 7 3HB SER 7 14.407 -8.268 -6.477 47 HG SER 7 HG SER 7 14.855 -10.358 -7.195 48 H ILE 8 HN ILE 8 11.671 -6.233 -5.228 49 HA ILE 8 HA ILE 8 10.488 -5.702 -7.825 50 HB ILE 8 HB ILE 8 8.864 -5.169 -5.290 51 HG12 ILE 8 2HG1 ILE 8 8.187 -7.374 -7.286 52 HG13 ILE 8 3HG1 ILE 8 8.949 -7.687 -5.732 53 HG21 ILE 8 1HG2 ILE 8 8.476 -3.693 -7.211 54 HG22 ILE 8 2HG2 ILE 8 8.269 -5.092 -8.290 55 HG23 ILE 8 3HG2 ILE 8 7.090 -4.746 -7.035 56 HD11 ILE 8 1HD1 ILE 8 6.627 -8.138 -5.595 57 HD12 ILE 8 2HD1 ILE 8 7.110 -6.829 -4.492 58 HD13 ILE 8 3HD1 ILE 8 6.217 -6.467 -5.998 59 H VAL 9 HN VAL 9 10.617 -3.339 -8.217 60 HA VAL 9 HA VAL 9 11.096 -1.591 -5.994 61 HB VAL 9 HB VAL 9 13.261 -1.322 -8.094 62 HG11 VAL 9 1HG1 VAL 9 14.406 -0.160 -6.264 63 HG12 VAL 9 2HG1 VAL 9 12.788 0.517 -6.505 64 HG13 VAL 9 3HG1 VAL 9 13.093 -0.583 -5.137 65 HG21 VAL 9 1HG2 VAL 9 13.815 -2.943 -5.600 66 HG22 VAL 9 2HG2 VAL 9 13.670 -3.624 -7.245 67 HG23 VAL 9 3HG2 VAL 9 14.921 -2.452 -6.898 68 H HIS 10 HN HIS 10 9.351 -0.254 -6.602 69 HA HIS 10 HA HIS 10 9.855 1.220 -9.154 70 HB2 HIS 10 2HB HIS 10 7.955 -0.382 -9.411 71 HB3 HIS 10 3HB HIS 10 7.059 0.599 -8.251 72 HD1 HIS 10 1HD HIS 10 6.168 2.920 -9.142 73 HD2 HIS 10 2HD HIS 10 8.720 0.896 -11.787 74 HE1 HIS 10 1HE HIS 10 6.131 4.256 -11.323 75 H ARG 11 HN ARG 11 10.223 1.697 -6.015 76 HA ARG 11 HA ARG 11 10.885 3.576 -5.027 77 HB2 ARG 11 2HB ARG 11 11.264 4.219 -7.615 78 HB3 ARG 11 3HB ARG 11 9.970 5.339 -7.284 79 HG2 ARG 11 2HG ARG 11 11.831 6.600 -7.025 80 HG3 ARG 11 3HG ARG 11 11.414 6.214 -5.351 81 HD2 ARG 11 2HD ARG 11 13.261 4.664 -5.186 82 HD3 ARG 11 3HD ARG 11 13.442 4.594 -6.951 83 HE ARG 11 HE ARG 11 13.771 7.272 -5.903 84 HH11 ARG 11 1HH1 ARG 11 15.577 4.230 -6.296 85 HH12 ARG 11 2HH1 ARG 11 17.043 4.972 -6.821 86 HH21 ARG 11 1HH2 ARG 11 15.784 8.313 -6.414 87 HH22 ARG 11 2HH2 ARG 11 17.205 7.344 -6.640 88 H LEU 12 HN LEU 12 10.025 5.387 -3.766 89 HA LEU 12 HA LEU 12 7.290 4.912 -3.073 90 HB2 LEU 12 2HB LEU 12 9.572 6.423 -1.957 91 HB3 LEU 12 3HB LEU 12 8.079 7.324 -1.837 92 HG LEU 12 HG LEU 12 7.022 5.153 -0.854 93 HD11 LEU 12 1HD1 LEU 12 8.527 3.646 0.300 94 HD12 LEU 12 2HD1 LEU 12 9.948 4.508 -0.315 95 HD13 LEU 12 3HD1 LEU 12 8.859 3.595 -1.427 96 HD21 LEU 12 1HD2 LEU 12 7.456 7.200 0.420 97 HD22 LEU 12 2HD2 LEU 12 9.132 6.674 0.695 98 HD23 LEU 12 3HD2 LEU 12 7.781 5.747 1.391 99 HA PRO 13 HA PRO 13 5.203 8.054 -5.464 100 HB2 PRO 13 2HB PRO 13 3.016 8.635 -4.016 101 HB3 PRO 13 3HB PRO 13 3.311 6.977 -4.635 102 HG2 PRO 13 2HG PRO 13 3.932 8.067 -1.868 103 HG3 PRO 13 3HG PRO 13 3.050 6.578 -2.309 104 HD2 PRO 13 2HD PRO 13 5.702 6.615 -1.694 105 HD3 PRO 13 3HD PRO 13 5.015 5.443 -2.853 106 H GLN 14 HN GLN 14 4.206 10.298 -5.275 107 HA GLN 14 HA GLN 14 5.715 12.225 -3.660 108 HB2 GLN 14 2HB GLN 14 3.928 12.300 -5.927 109 HB3 GLN 14 3HB GLN 14 3.188 13.247 -4.654 110 HG2 GLN 14 2HG GLN 14 6.106 13.627 -5.489 111 HG3 GLN 14 3HG GLN 14 4.776 14.419 -6.319 112 HE21 GLN 14 1HE2 GLN 14 6.521 16.273 -5.384 113 HE22 GLN 14 2HE2 GLN 14 5.720 17.030 -4.001 114 H ASN 15 HN ASN 15 4.292 13.690 -2.259 115 HA ASN 15 HA ASN 15 2.774 12.105 -0.263 116 HB2 ASN 15 2HB ASN 15 3.768 14.995 -0.425 117 HB3 ASN 15 3HB ASN 15 2.577 14.469 0.768 118 HD21 ASN 15 1HD2 ASN 15 5.865 13.302 -0.437 119 HD22 ASN 15 2HD2 ASN 15 6.342 12.876 1.167 120 H TYR 16 HN TYR 16 0.501 12.078 -0.476 121 HA TYR 16 HA TYR 16 -0.816 14.290 -1.878 122 HB2 TYR 16 2HB TYR 16 -1.934 12.844 -3.441 123 HB3 TYR 16 3HB TYR 16 -0.212 12.684 -3.641 124 HD1 TYR 16 1HD TYR 16 -3.353 11.111 -2.912 125 HD2 TYR 16 2HD TYR 16 0.905 10.549 -2.715 126 HE1 TYR 16 1HE TYR 16 -3.673 8.726 -2.230 127 HE2 TYR 16 2HE TYR 16 0.631 8.177 -2.180 128 HH TYR 16 HH TYR 16 -1.190 6.556 -1.201 129 H ARG 17 HN ARG 17 -3.440 13.555 -1.734 130 HA ARG 17 HA ARG 17 -3.934 12.063 0.732 131 HB2 ARG 17 2HB ARG 17 -5.233 13.855 1.782 132 HB3 ARG 17 3HB ARG 17 -3.524 14.188 1.700 133 HG2 ARG 17 2HG ARG 17 -3.855 15.761 -0.135 134 HG3 ARG 17 3HG ARG 17 -5.584 15.393 -0.205 135 HD2 ARG 17 2HD ARG 17 -4.153 16.540 2.247 136 HD3 ARG 17 3HD ARG 17 -5.025 17.504 1.039 137 HE ARG 17 HE ARG 17 -6.734 15.459 1.966 138 HH11 ARG 17 1HH1 ARG 17 -5.296 18.447 3.379 139 HH12 ARG 17 2HH1 ARG 17 -6.861 19.021 3.886 140 HH21 ARG 17 1HH2 ARG 17 -8.627 16.130 2.987 141 HH22 ARG 17 2HH2 ARG 17 -8.703 17.588 3.893 142 H TRP 18 HN TRP 18 -6.622 12.240 1.105 143 HA TRP 18 HA TRP 18 -7.764 11.232 -1.394 144 HB2 TRP 18 2HB TRP 18 -9.447 12.198 0.915 145 HB3 TRP 18 3HB TRP 18 -9.778 10.921 -0.226 146 HD1 TRP 18 1HD TRP 18 -9.327 11.356 3.207 147 HE1 TRP 18 1HE TRP 18 -8.461 9.297 4.459 148 HE3 TRP 18 3HE TRP 18 -7.730 8.582 -0.802 149 HZ2 TRP 18 2HZ TRP 18 -7.121 6.819 3.813 150 HZ3 TRP 18 3HZ TRP 18 -6.763 6.346 -0.449 151 HH2 TRP 18 2HH TRP 18 -6.429 5.451 1.846 152 H SER 19 HN SER 19 -9.473 12.453 -2.648 153 HA SER 19 HA SER 19 -8.998 15.361 -2.556 154 HB2 SER 19 2HB SER 19 -9.118 13.690 -4.601 155 HB3 SER 19 3HB SER 19 -10.864 13.965 -4.459 156 HG SER 19 HG SER 19 -10.421 16.208 -4.624 157 H ALA 20 HN ALA 20 -10.700 14.068 -0.399 158 HA ALA 20 HA ALA 20 -12.688 14.271 0.687 159 HB1 ALA 20 1HB ALA 20 -13.534 16.661 0.730 160 HB2 ALA 20 2HB ALA 20 -11.800 16.505 1.003 161 HB3 ALA 20 3HB ALA 20 -12.411 17.040 -0.575 162 H GLY 21 HN GLY 21 -12.975 13.596 -2.418 163 HA2 GLY 21 2HA GLY 21 -15.927 14.037 -2.562 164 HA3 GLY 21 1HA GLY 21 -14.827 13.701 -3.885 165 H PHE 22 HN PHE 22 -13.392 11.479 -2.575 166 HA PHE 22 HA PHE 22 -15.430 9.495 -2.111 167 HB2 PHE 22 2HB PHE 22 -13.670 8.655 -4.372 168 HB3 PHE 22 3HB PHE 22 -15.283 8.215 -3.950 169 HD1 PHE 22 1HD PHE 22 -17.108 9.070 -5.176 170 HD2 PHE 22 2HD PHE 22 -13.276 11.054 -5.446 171 HE1 PHE 22 1HE PHE 22 -17.918 10.422 -7.069 172 HE2 PHE 22 2HE PHE 22 -14.046 12.297 -7.411 173 HZ PHE 22 HZ PHE 22 -16.406 12.068 -8.189 174 H ALA 23 HN ALA 23 -14.302 9.498 -0.065 175 HA ALA 23 HA ALA 23 -11.529 9.233 0.227 176 HB1 ALA 23 1HB ALA 23 -13.702 8.127 2.046 177 HB2 ALA 23 2HB ALA 23 -12.022 8.489 2.499 178 HB3 ALA 23 3HB ALA 23 -13.111 9.805 2.028 179 H GLY 24 HN GLY 24 -13.867 6.644 -0.573 180 HA2 GLY 24 2HA GLY 24 -11.913 4.550 -0.003 181 HA3 GLY 24 1HA GLY 24 -13.527 4.358 -0.665 182 H SER 25 HN SER 25 -12.660 6.543 -2.883 183 HA SER 25 HA SER 25 -10.570 5.070 -4.261 184 HB2 SER 25 2HB SER 25 -12.716 3.822 -4.799 185 HB3 SER 25 3HB SER 25 -13.249 5.263 -5.670 186 HG SER 25 HG SER 25 -12.121 3.660 -6.967 187 H LYS 26 HN LYS 26 -9.874 7.318 -3.489 188 HA LYS 26 HA LYS 26 -9.741 8.842 -5.953 189 HB2 LYS 26 2HB LYS 26 -11.838 9.710 -4.874 190 HB3 LYS 26 3HB LYS 26 -10.854 10.318 -3.544 191 HG2 LYS 26 2HG LYS 26 -11.295 12.082 -5.026 192 HG3 LYS 26 3HG LYS 26 -9.585 11.691 -5.173 193 HD2 LYS 26 2HD LYS 26 -10.965 10.218 -7.231 194 HD3 LYS 26 3HD LYS 26 -11.695 11.822 -7.180 195 HE2 LYS 26 2HE LYS 26 -9.159 12.613 -6.984 196 HE3 LYS 26 3HE LYS 26 -8.835 11.046 -7.740 197 HZ1 LYS 26 1HZ LYS 26 -10.168 11.723 -9.625 198 HZ2 LYS 26 2HZ LYS 26 -9.058 12.903 -9.310 199 HZ3 LYS 26 3HZ LYS 26 -10.613 13.122 -8.845 200 H VAL 27 HN VAL 27 -7.776 9.751 -6.110 201 HA VAL 27 HA VAL 27 -6.363 10.547 -3.619 202 HB VAL 27 HB VAL 27 -4.282 9.864 -4.731 203 HG11 VAL 27 1HG1 VAL 27 -4.429 7.521 -4.330 204 HG12 VAL 27 2HG1 VAL 27 -5.595 8.286 -3.228 205 HG13 VAL 27 3HG1 VAL 27 -6.162 7.479 -4.693 206 HG21 VAL 27 1HG2 VAL 27 -4.849 9.987 -7.108 207 HG22 VAL 27 2HG2 VAL 27 -4.225 8.400 -6.694 208 HG23 VAL 27 3HG2 VAL 27 -5.965 8.612 -6.947 209 H GLU 28 HN GLU 28 -5.442 12.663 -3.753 210 HA GLU 28 HA GLU 28 -4.908 13.569 -6.430 211 HB2 GLU 28 2HB GLU 28 -6.761 15.131 -4.607 212 HB3 GLU 28 3HB GLU 28 -5.592 15.990 -5.609 213 HG2 GLU 28 2HG GLU 28 -6.542 14.401 -7.536 214 HG3 GLU 28 3HG GLU 28 -7.963 14.370 -6.507 215 HA PRO 29 HA PRO 29 -1.101 14.665 -4.419 216 HB2 PRO 29 2HB PRO 29 -0.173 16.591 -6.185 217 HB3 PRO 29 3HB PRO 29 -0.142 14.828 -6.481 218 HG2 PRO 29 2HG PRO 29 -2.195 16.854 -7.393 219 HG3 PRO 29 3HG PRO 29 -1.388 15.577 -8.365 220 HD2 PRO 29 2HD PRO 29 -3.853 15.203 -7.370 221 HD3 PRO 29 3HD PRO 29 -2.671 13.851 -7.281 222 H ILE 30 HN ILE 30 0.151 16.736 -3.739 223 HA ILE 30 HA ILE 30 -1.810 18.609 -2.450 224 HB ILE 30 HB ILE 30 0.897 17.657 -1.522 225 HG12 ILE 30 2HG1 ILE 30 -1.681 17.341 0.041 226 HG13 ILE 30 3HG1 ILE 30 -1.288 16.196 -1.208 227 HG21 ILE 30 1HG2 ILE 30 0.215 19.132 0.533 228 HG22 ILE 30 2HG2 ILE 30 0.664 20.005 -0.935 229 HG23 ILE 30 3HG2 ILE 30 -1.033 19.843 -0.549 230 HD11 ILE 30 1HD1 ILE 30 1.028 15.893 -0.035 231 HD12 ILE 30 2HD1 ILE 30 0.269 16.743 1.318 232 HD13 ILE 30 3HD1 ILE 30 -0.399 15.216 0.762 233 HA PRO 31 HA PRO 31 0.597 21.344 -5.222 234 HB2 PRO 31 2HB PRO 31 -1.376 22.937 -6.114 235 HB3 PRO 31 3HB PRO 31 -1.184 21.262 -6.721 236 HG2 PRO 31 2HG PRO 31 -3.018 22.204 -4.504 237 HG3 PRO 31 3HG PRO 31 -3.465 21.228 -5.933 238 HD2 PRO 31 2HD PRO 31 -2.895 20.138 -3.498 239 HD3 PRO 31 3HD PRO 31 -2.443 19.324 -5.025 240 H GLN 32 HN GLN 32 1.410 21.702 -3.058 241 HA GLN 32 HA GLN 32 2.259 22.961 -1.459 242 HB2 GLN 32 2HB GLN 32 2.686 25.263 -1.908 243 HB3 GLN 32 3HB GLN 32 2.894 24.294 -3.347 244 HG2 GLN 32 2HG GLN 32 0.961 25.169 -4.403 245 HG3 GLN 32 3HG GLN 32 0.409 25.939 -2.905 246 HE21 GLN 32 1HE2 GLN 32 1.435 27.844 -2.174 247 HE22 GLN 32 2HE2 GLN 32 2.549 28.775 -3.164 248 H ASN 33 HN ASN 33 -0.820 22.623 -1.265 249 HA ASN 33 HA ASN 33 -1.707 24.783 0.387 250 HB2 ASN 33 2HB ASN 33 -2.839 21.986 0.075 251 HB3 ASN 33 3HB ASN 33 -3.671 23.322 0.884 252 HD21 ASN 33 1HD2 ASN 33 -3.680 21.713 -1.963 253 HD22 ASN 33 2HD2 ASN 33 -3.993 23.070 -3.048 254 H GLY 34 HN GLY 34 0.766 23.069 1.467 255 HA2 GLY 34 2HA GLY 34 1.198 23.599 3.836 256 HA3 GLY 34 1HA GLY 34 -0.345 22.908 4.263 257 HA PRO 35 HA PRO 35 2.606 19.226 3.335 258 HB2 PRO 35 2HB PRO 35 5.262 19.649 3.894 259 HB3 PRO 35 3HB PRO 35 4.518 19.695 2.279 260 HG2 PRO 35 2HG PRO 35 5.218 21.988 4.135 261 HG3 PRO 35 3HG PRO 35 5.399 21.927 2.353 262 HD2 PRO 35 2HD PRO 35 3.331 23.190 3.682 263 HD3 PRO 35 3HD PRO 35 3.162 22.514 2.033 264 H CYS 36 HN CYS 36 2.202 18.024 5.032 265 HA CYS 36 HA CYS 36 3.418 18.641 7.700 266 HB2 CYS 36 2HB CYS 36 1.590 16.342 6.856 267 HB3 CYS 36 3HB CYS 36 2.315 16.586 8.471 268 HG CYS 36 HG CYS 36 -0.285 17.304 8.378 269 H GLY 37 HN GLY 37 3.084 15.762 5.657 270 HA2 GLY 37 2HA GLY 37 5.012 14.523 4.715 271 HA3 GLY 37 1HA GLY 37 5.976 15.088 6.093 272 H ASP 38 HN ASP 38 4.800 14.691 8.317 273 HA ASP 38 HA ASP 38 4.495 11.868 8.563 274 HB2 ASP 38 2HB ASP 38 3.750 13.875 10.649 275 HB3 ASP 38 3HB ASP 38 4.194 12.195 10.802 276 H ASN 39 HN ASN 39 2.414 13.436 7.284 277 HA ASN 39 HA ASN 39 0.005 12.168 8.487 278 HB2 ASN 39 2HB ASN 39 0.609 14.923 8.864 279 HB3 ASN 39 3HB ASN 39 -0.690 14.939 7.696 280 HD21 ASN 39 1HD2 ASN 39 -0.740 15.686 10.640 281 HD22 ASN 39 2HD2 ASN 39 -1.806 14.549 11.408 282 H SER 40 HN SER 40 1.398 11.606 5.825 283 HA SER 40 HA SER 40 -0.440 12.872 3.863 284 HB2 SER 40 2HB SER 40 2.312 11.530 3.729 285 HB3 SER 40 3HB SER 40 1.449 12.269 2.403 286 HG SER 40 HG SER 40 2.979 13.671 3.317 287 H LEU 41 HN LEU 41 -0.106 11.060 1.770 288 HA LEU 41 HA LEU 41 -0.827 8.395 2.854 289 HB2 LEU 41 2HB LEU 41 -1.920 9.759 0.361 290 HB3 LEU 41 3HB LEU 41 -2.122 8.051 0.755 291 HG LEU 41 HG LEU 41 -3.215 10.365 2.401 292 HD11 LEU 41 1HD1 LEU 41 -5.362 9.719 1.535 293 HD12 LEU 41 2HD1 LEU 41 -4.663 8.324 0.683 294 HD13 LEU 41 3HD1 LEU 41 -4.273 9.961 0.147 295 HD21 LEU 41 1HD2 LEU 41 -3.497 7.340 2.715 296 HD22 LEU 41 2HD2 LEU 41 -4.480 8.540 3.587 297 HD23 LEU 41 3HD2 LEU 41 -2.741 8.473 3.856 298 H VAL 42 HN VAL 42 -0.080 6.724 1.586 299 HA VAL 42 HA VAL 42 1.918 7.291 -0.490 300 HB VAL 42 HB VAL 42 3.398 5.561 0.450 301 HG11 VAL 42 1HG1 VAL 42 4.456 6.957 2.114 302 HG12 VAL 42 2HG1 VAL 42 3.776 7.995 0.836 303 HG13 VAL 42 3HG1 VAL 42 2.946 7.844 2.401 304 HG21 VAL 42 1HG2 VAL 42 3.230 4.903 2.809 305 HG22 VAL 42 2HG2 VAL 42 1.616 5.660 2.890 306 HG23 VAL 42 3HG2 VAL 42 1.938 4.277 1.798 307 H ALA 43 HN ALA 43 2.416 4.769 -1.477 308 HA ALA 43 HA ALA 43 -0.229 3.680 -2.086 309 HB1 ALA 43 1HB ALA 43 1.315 5.355 -4.134 310 HB2 ALA 43 2HB ALA 43 -0.220 4.507 -4.365 311 HB3 ALA 43 3HB ALA 43 -0.157 5.901 -3.306 312 H LEU 44 HN LEU 44 -0.070 1.801 -3.196 313 HA LEU 44 HA LEU 44 2.592 0.840 -4.138 314 HB2 LEU 44 2HB LEU 44 0.354 -0.781 -2.834 315 HB3 LEU 44 3HB LEU 44 1.763 -1.444 -3.569 316 HG LEU 44 HG LEU 44 2.187 -1.655 -1.358 317 HD11 LEU 44 1HD1 LEU 44 4.111 -0.297 -0.806 318 HD12 LEU 44 2HD1 LEU 44 3.626 0.952 -1.981 319 HD13 LEU 44 3HD1 LEU 44 4.115 -0.646 -2.539 320 HD21 LEU 44 1HD2 LEU 44 1.784 -0.149 0.416 321 HD22 LEU 44 2HD2 LEU 44 0.331 -0.186 -0.558 322 HD23 LEU 44 3HD2 LEU 44 1.427 1.209 -0.689 323 H LYS 45 HN LYS 45 2.427 0.381 -6.318 324 HA LYS 45 HA LYS 45 -0.256 -0.120 -7.503 325 HB2 LYS 45 2HB LYS 45 2.377 -0.559 -8.918 326 HB3 LYS 45 3HB LYS 45 0.766 -0.363 -9.591 327 HG2 LYS 45 2HG LYS 45 0.841 2.062 -8.746 328 HG3 LYS 45 3HG LYS 45 2.567 1.775 -8.441 329 HD2 LYS 45 2HD LYS 45 2.706 0.901 -10.863 330 HD3 LYS 45 3HD LYS 45 1.059 1.550 -11.070 331 HE2 LYS 45 2HE LYS 45 2.105 3.787 -10.168 332 HE3 LYS 45 3HE LYS 45 3.662 3.000 -10.517 333 HZ1 LYS 45 1HZ LYS 45 2.535 2.578 -12.804 334 HZ2 LYS 45 2HZ LYS 45 3.169 4.069 -12.482 335 HZ3 LYS 45 3HZ LYS 45 1.551 3.811 -12.357 336 H LEU 46 HN LEU 46 0.530 -2.264 -9.152 337 HA LEU 46 HA LEU 46 0.025 -4.455 -7.502 338 HB2 LEU 46 2HB LEU 46 0.203 -5.793 -9.405 339 HB3 LEU 46 3HB LEU 46 -0.503 -4.279 -9.924 340 HG LEU 46 HG LEU 46 2.472 -4.892 -10.281 341 HD11 LEU 46 1HD1 LEU 46 1.835 -5.530 -12.615 342 HD12 LEU 46 2HD1 LEU 46 0.133 -5.571 -12.088 343 HD13 LEU 46 3HD1 LEU 46 1.318 -6.668 -11.361 344 HD21 LEU 46 1HD2 LEU 46 2.009 -2.542 -10.576 345 HD22 LEU 46 2HD2 LEU 46 0.576 -2.889 -11.581 346 HD23 LEU 46 3HD2 LEU 46 2.208 -3.251 -12.163 347 H LEU 47 HN LEU 47 1.358 -6.517 -7.790 348 HA LEU 47 HA LEU 47 4.154 -6.163 -6.998 349 HB2 LEU 47 2HB LEU 47 3.786 -7.588 -5.039 350 HB3 LEU 47 3HB LEU 47 3.025 -6.033 -4.894 351 HG LEU 47 HG LEU 47 1.831 -8.098 -4.005 352 HD11 LEU 47 1HD1 LEU 47 0.793 -5.900 -4.110 353 HD12 LEU 47 2HD1 LEU 47 -0.369 -7.207 -4.350 354 HD13 LEU 47 3HD1 LEU 47 0.189 -6.258 -5.736 355 HD21 LEU 47 1HD2 LEU 47 2.011 -9.580 -6.000 356 HD22 LEU 47 2HD2 LEU 47 0.825 -8.542 -6.812 357 HD23 LEU 47 3HD2 LEU 47 0.375 -9.407 -5.340 358 H SER 48 HN SER 48 4.990 -8.692 -6.659 359 HA SER 48 HA SER 48 3.240 -10.559 -7.956 360 HB2 SER 48 2HB SER 48 4.647 -11.174 -9.832 361 HB3 SER 48 3HB SER 48 4.260 -9.454 -9.867 362 HG SER 48 HG SER 48 6.712 -10.731 -9.461 363 HA PRO 49 HA PRO 49 3.457 -12.699 -8.793 364 HB2 PRO 49 2HB PRO 49 3.080 -15.257 -7.781 365 HB3 PRO 49 3HB PRO 49 4.263 -14.751 -9.024 366 HG2 PRO 49 2HG PRO 49 4.754 -15.367 -6.145 367 HG3 PRO 49 3HG PRO 49 5.819 -15.605 -7.542 368 HD2 PRO 49 2HD PRO 49 5.982 -13.480 -5.705 369 HD3 PRO 49 3HD PRO 49 6.693 -13.475 -7.345 370 H ASP 50 HN ASP 50 1.189 -13.612 -8.417 371 HA ASP 50 HA ASP 50 -0.095 -12.288 -6.094 372 HB2 ASP 50 2HB ASP 50 -1.397 -11.050 -7.685 373 HB3 ASP 50 3HB ASP 50 0.287 -10.862 -8.162 374 H GLY 51 HN GLY 51 -2.754 -12.589 -6.852 375 HA2 GLY 51 2HA GLY 51 -3.860 -14.450 -8.206 376 HA3 GLY 51 1HA GLY 51 -3.215 -15.519 -6.930 377 H ASP 52 HN ASP 52 -5.918 -15.512 -7.304 378 HA ASP 52 HA ASP 52 -7.574 -13.669 -6.157 379 HB2 ASP 52 2HB ASP 52 -7.994 -16.659 -5.740 380 HB3 ASP 52 3HB ASP 52 -9.220 -15.395 -5.773 381 H ASN 53 HN ASN 53 -5.701 -16.128 -4.524 382 HA ASN 53 HA ASN 53 -6.978 -16.012 -1.936 383 HB2 ASN 53 2HB ASN 53 -4.518 -17.244 -3.112 384 HB3 ASN 53 3HB ASN 53 -4.383 -16.818 -1.419 385 HD21 ASN 53 1HD2 ASN 53 -6.082 -18.892 -3.710 386 HD22 ASN 53 2HD2 ASN 53 -7.131 -19.640 -2.501 387 H ALA 54 HN ALA 54 -4.085 -14.427 -3.323 388 HA ALA 54 HA ALA 54 -3.465 -12.985 -0.923 389 HB1 ALA 54 1HB ALA 54 -1.824 -13.224 -2.772 390 HB2 ALA 54 2HB ALA 54 -2.852 -12.227 -3.827 391 HB3 ALA 54 3HB ALA 54 -2.112 -11.526 -2.382 392 H TRP 55 HN TRP 55 -5.523 -12.234 -3.806 393 HA TRP 55 HA TRP 55 -6.336 -9.654 -3.003 394 HB2 TRP 55 2HB TRP 55 -7.598 -11.796 -4.708 395 HB3 TRP 55 3HB TRP 55 -8.542 -10.392 -4.235 396 HD1 TRP 55 1HD TRP 55 -6.045 -11.468 -6.775 397 HE1 TRP 55 1HE TRP 55 -5.442 -9.576 -8.275 398 HE3 TRP 55 3HE TRP 55 -7.921 -7.642 -3.918 399 HZ2 TRP 55 2HZ TRP 55 -6.093 -6.653 -8.447 400 HZ3 TRP 55 3HZ TRP 55 -7.905 -5.326 -4.783 401 HH2 TRP 55 2HH TRP 55 -7.069 -4.824 -7.013 402 H SER 56 HN SER 56 -8.025 -12.791 -2.252 403 HA SER 56 HA SER 56 -10.170 -11.534 -0.902 404 HB2 SER 56 2HB SER 56 -10.628 -13.799 -0.011 405 HB3 SER 56 3HB SER 56 -10.300 -13.816 -1.743 406 HG SER 56 HG SER 56 -9.080 -15.455 -0.988 407 H VAL 57 HN VAL 57 -7.315 -13.211 0.429 408 HA VAL 57 HA VAL 57 -7.650 -12.479 3.113 409 HB VAL 57 HB VAL 57 -5.142 -13.163 1.538 410 HG11 VAL 57 1HG1 VAL 57 -5.640 -13.118 4.559 411 HG12 VAL 57 2HG1 VAL 57 -4.267 -13.954 3.743 412 HG13 VAL 57 3HG1 VAL 57 -4.425 -12.215 3.622 413 HG21 VAL 57 1HG2 VAL 57 -5.600 -15.432 2.576 414 HG22 VAL 57 2HG2 VAL 57 -7.147 -14.804 3.181 415 HG23 VAL 57 3HG2 VAL 57 -6.849 -14.945 1.447 416 H MET 58 HN MET 58 -5.927 -10.583 0.536 417 HA MET 58 HA MET 58 -4.930 -8.604 2.313 418 HB2 MET 58 2HB MET 58 -4.131 -8.930 0.034 419 HB3 MET 58 3HB MET 58 -5.696 -8.449 -0.630 420 HG2 MET 58 2HG MET 58 -5.359 -6.168 0.189 421 HG3 MET 58 3HG MET 58 -3.883 -6.670 1.034 422 HE1 MET 58 1HE MET 58 -5.648 -6.122 -2.396 423 HE2 MET 58 2HE MET 58 -4.344 -6.345 -3.583 424 HE3 MET 58 3HE MET 58 -5.018 -7.748 -2.735 425 H TYR 59 HN TYR 59 -7.979 -8.744 0.385 426 HA TYR 59 HA TYR 59 -8.889 -6.179 1.152 427 HB2 TYR 59 2HB TYR 59 -9.622 -7.410 -0.849 428 HB3 TYR 59 3HB TYR 59 -10.454 -8.575 0.166 429 HD1 TYR 59 1HD TYR 59 -12.798 -8.277 0.107 430 HD2 TYR 59 2HD TYR 59 -10.256 -4.784 -0.003 431 HE1 TYR 59 1HE TYR 59 -14.784 -6.825 0.053 432 HE2 TYR 59 2HE TYR 59 -12.235 -3.336 -0.061 433 HH TYR 59 HH TYR 59 -15.133 -4.028 -0.906 434 H LYS 60 HN LYS 60 -9.675 -9.448 2.393 435 HA LYS 60 HA LYS 60 -11.492 -8.748 4.455 436 HB2 LYS 60 2HB LYS 60 -9.386 -10.949 4.217 437 HB3 LYS 60 3HB LYS 60 -10.538 -10.860 5.552 438 HG2 LYS 60 2HG LYS 60 -12.402 -11.263 4.136 439 HG3 LYS 60 3HG LYS 60 -11.507 -10.917 2.670 440 HD2 LYS 60 2HD LYS 60 -11.883 -13.322 2.909 441 HD3 LYS 60 3HD LYS 60 -10.150 -12.952 2.994 442 HE2 LYS 60 2HE LYS 60 -10.706 -14.600 4.683 443 HE3 LYS 60 3HE LYS 60 -10.230 -13.075 5.458 444 HZ1 LYS 60 1HZ LYS 60 -12.510 -12.604 5.923 445 HZ2 LYS 60 2HZ LYS 60 -12.146 -14.124 6.467 446 HZ3 LYS 60 3HZ LYS 60 -13.007 -13.943 5.080 447 H LEU 61 HN LEU 61 -7.896 -9.112 4.604 448 HA LEU 61 HA LEU 61 -7.723 -8.310 7.326 449 HB2 LEU 61 2HB LEU 61 -5.760 -8.545 5.052 450 HB3 LEU 61 3HB LEU 61 -5.284 -7.702 6.506 451 HG LEU 61 HG LEU 61 -5.418 -9.548 7.900 452 HD11 LEU 61 1HD1 LEU 61 -6.335 -11.764 7.319 453 HD12 LEU 61 2HD1 LEU 61 -6.961 -11.111 5.792 454 HD13 LEU 61 3HD1 LEU 61 -7.588 -10.527 7.347 455 HD21 LEU 61 1HD2 LEU 61 -4.101 -11.301 6.700 456 HD22 LEU 61 2HD2 LEU 61 -3.522 -9.666 6.382 457 HD23 LEU 61 3HD2 LEU 61 -4.491 -10.516 5.162 458 H SER 62 HN SER 62 -7.502 -6.328 4.292 459 HA SER 62 HA SER 62 -6.839 -3.940 5.661 460 HB2 SER 62 2HB SER 62 -8.009 -2.740 3.759 461 HB3 SER 62 3HB SER 62 -6.661 -3.794 3.332 462 HG SER 62 HG SER 62 -9.189 -4.967 3.252 463 H GLN 63 HN GLN 63 -10.104 -5.371 5.086 464 HA GLN 63 HA GLN 63 -11.467 -3.155 6.289 465 HB2 GLN 63 2HB GLN 63 -12.307 -6.048 5.912 466 HB3 GLN 63 3HB GLN 63 -13.390 -4.727 6.377 467 HG2 GLN 63 2HG GLN 63 -11.869 -4.137 3.881 468 HG3 GLN 63 3HG GLN 63 -12.775 -5.627 3.773 469 HE21 GLN 63 1HE2 GLN 63 -13.326 -3.381 2.119 470 HE22 GLN 63 2HE2 GLN 63 -14.983 -2.992 2.483 471 H ALA 64 HN ALA 64 -10.100 -6.182 7.566 472 HA ALA 64 HA ALA 64 -11.218 -5.965 10.211 473 HB1 ALA 64 1HB ALA 64 -10.445 -8.115 9.256 474 HB2 ALA 64 2HB ALA 64 -8.771 -7.499 9.220 475 HB3 ALA 64 3HB ALA 64 -9.594 -7.737 10.763 476 H LEU 65 HN LEU 65 -8.093 -4.889 8.763 477 HA LEU 65 HA LEU 65 -6.946 -3.883 11.136 478 HB2 LEU 65 2HB LEU 65 -6.477 -3.706 8.146 479 HB3 LEU 65 3HB LEU 65 -5.798 -2.451 9.135 480 HG LEU 65 HG LEU 65 -4.792 -4.222 10.613 481 HD11 LEU 65 1HD1 LEU 65 -6.070 -6.188 9.848 482 HD12 LEU 65 2HD1 LEU 65 -4.319 -6.395 9.788 483 HD13 LEU 65 3HD1 LEU 65 -5.223 -6.081 8.288 484 HD21 LEU 65 1HD2 LEU 65 -2.871 -4.513 8.973 485 HD22 LEU 65 2HD2 LEU 65 -3.480 -2.849 9.084 486 HD23 LEU 65 3HD2 LEU 65 -3.945 -3.853 7.717 487 H SER 66 HN SER 66 -8.845 -2.353 8.501 488 HA SER 66 HA SER 66 -8.856 0.255 9.575 489 HB2 SER 66 2HB SER 66 -9.544 -0.619 7.238 490 HB3 SER 66 3HB SER 66 -11.151 -0.876 7.950 491 HG SER 66 HG SER 66 -11.318 1.320 8.266 492 H ASP 67 HN ASP 67 -10.867 -2.567 10.294 493 HA ASP 67 HA ASP 67 -12.815 -1.422 11.934 494 HB2 ASP 67 2HB ASP 67 -12.223 -3.936 11.107 495 HB3 ASP 67 3HB ASP 67 -11.546 -4.036 12.720 496 H ILE 68 HN ILE 68 -9.379 -1.709 12.530 497 HA ILE 68 HA ILE 68 -9.671 -1.203 15.407 498 HB ILE 68 HB ILE 68 -7.044 -1.351 13.943 499 HG12 ILE 68 2HG1 ILE 68 -8.062 -3.349 13.175 500 HG13 ILE 68 3HG1 ILE 68 -6.840 -3.725 14.365 501 HG21 ILE 68 1HG2 ILE 68 -6.273 -2.123 16.142 502 HG22 ILE 68 2HG2 ILE 68 -7.068 -0.542 16.227 503 HG23 ILE 68 3HG2 ILE 68 -7.931 -1.993 16.758 504 HD11 ILE 68 1HD1 ILE 68 -8.539 -4.186 16.066 505 HD12 ILE 68 2HD1 ILE 68 -9.835 -3.735 14.935 506 HD13 ILE 68 3HD1 ILE 68 -8.826 -5.146 14.601 507 H GLU 69 HN GLU 69 -7.554 0.216 12.867 508 HA GLU 69 HA GLU 69 -8.447 2.966 13.403 509 HB2 GLU 69 2HB GLU 69 -6.376 3.689 14.441 510 HB3 GLU 69 3HB GLU 69 -7.109 2.415 15.414 511 HG2 GLU 69 2HG GLU 69 -5.597 0.749 14.333 512 HG3 GLU 69 3HG GLU 69 -4.862 2.068 13.417 513 H VAL 70 HN VAL 70 -7.595 0.867 11.102 514 HA VAL 70 HA VAL 70 -5.448 2.533 9.871 515 HB VAL 70 HB VAL 70 -5.760 -0.450 9.800 516 HG11 VAL 70 1HG1 VAL 70 -4.463 0.602 7.920 517 HG12 VAL 70 2HG1 VAL 70 -3.391 1.342 9.122 518 HG13 VAL 70 3HG1 VAL 70 -3.501 -0.430 8.963 519 HG21 VAL 70 1HG2 VAL 70 -3.969 1.250 11.566 520 HG22 VAL 70 2HG2 VAL 70 -5.241 0.118 12.094 521 HG23 VAL 70 3HG2 VAL 70 -3.779 -0.487 11.318 522 HA PRO 71 HA PRO 71 -8.709 2.390 6.632 523 HB2 PRO 71 2HB PRO 71 -8.272 4.842 5.519 524 HB3 PRO 71 3HB PRO 71 -9.262 4.583 6.995 525 HG2 PRO 71 2HG PRO 71 -6.331 5.384 6.823 526 HG3 PRO 71 3HG PRO 71 -7.621 6.146 7.780 527 HD2 PRO 71 2HD PRO 71 -5.922 4.337 8.881 528 HD3 PRO 71 3HD PRO 71 -7.643 4.381 9.358 529 H CYS 72 HN CYS 72 -8.082 1.098 5.060 530 HA CYS 72 HA CYS 72 -5.649 1.761 3.452 531 HB2 CYS 72 2HB CYS 72 -6.825 -0.999 3.609 532 HB3 CYS 72 3HB CYS 72 -5.209 -0.548 3.135 533 HG CYS 72 HG CYS 72 -6.429 -0.200 6.231 534 H SER 73 HN SER 73 -6.128 1.997 1.257 535 HA SER 73 HA SER 73 -8.928 1.378 0.318 536 HB2 SER 73 2HB SER 73 -6.830 3.365 -0.567 537 HB3 SER 73 3HB SER 73 -8.016 2.759 -1.722 538 HG SER 73 HG SER 73 -9.152 3.631 0.652 539 H VAL 74 HN VAL 74 -9.152 -0.107 -1.265 540 HA VAL 74 HA VAL 74 -6.799 -1.509 -2.391 541 HB VAL 74 HB VAL 74 -9.405 -2.692 -1.345 542 HG11 VAL 74 1HG1 VAL 74 -8.207 -4.889 -1.584 543 HG12 VAL 74 2HG1 VAL 74 -8.511 -4.056 -3.100 544 HG13 VAL 74 3HG1 VAL 74 -6.879 -4.036 -2.401 545 HG21 VAL 74 1HG2 VAL 74 -6.653 -2.682 -0.011 546 HG22 VAL 74 2HG2 VAL 74 -8.175 -2.031 0.632 547 HG23 VAL 74 3HG2 VAL 74 -7.964 -3.770 0.435 548 H LEU 75 HN LEU 75 -6.899 -1.194 -4.629 549 HA LEU 75 HA LEU 75 -9.561 -1.301 -5.918 550 HB2 LEU 75 2HB LEU 75 -7.338 0.700 -6.518 551 HB3 LEU 75 3HB LEU 75 -8.834 0.544 -7.433 552 HG LEU 75 HG LEU 75 -8.603 1.462 -4.545 553 HD11 LEU 75 1HD1 LEU 75 -7.722 3.058 -6.278 554 HD12 LEU 75 2HD1 LEU 75 -9.123 3.669 -5.390 555 HD13 LEU 75 3HD1 LEU 75 -9.316 3.047 -7.037 556 HD21 LEU 75 1HD2 LEU 75 -10.997 2.116 -4.790 557 HD22 LEU 75 2HD2 LEU 75 -10.804 0.367 -4.922 558 HD23 LEU 75 3HD2 LEU 75 -11.038 1.337 -6.375 559 H GLU 76 HN GLU 76 -9.400 -1.579 -8.249 560 HA GLU 76 HA GLU 76 -7.302 -3.529 -8.974 561 HB2 GLU 76 2HB GLU 76 -9.140 -5.084 -9.612 562 HB3 GLU 76 3HB GLU 76 -9.115 -4.760 -7.878 563 HG2 GLU 76 2HG GLU 76 -10.969 -3.103 -8.172 564 HG3 GLU 76 3HG GLU 76 -11.079 -3.589 -9.860 565 H CYS 77 HN CYS 77 -6.831 -3.475 -11.141 566 HA CYS 77 HA CYS 77 -8.757 -2.478 -13.107 567 HB2 CYS 77 2HB CYS 77 -5.924 -1.393 -12.757 568 HB3 CYS 77 3HB CYS 77 -6.742 -1.375 -14.307 569 HG CYS 77 HG CYS 77 -6.757 1.027 -12.921 570 H GLU 78 HN GLU 78 -8.998 -4.513 -13.942 571 HA GLU 78 HA GLU 78 -8.634 -6.322 -15.176 572 HB2 GLU 78 2HB GLU 78 -6.005 -5.004 -15.947 573 HB3 GLU 78 3HB GLU 78 -6.809 -6.330 -16.763 574 HG2 GLU 78 2HG GLU 78 -7.615 -4.726 -18.088 575 HG3 GLU 78 3HG GLU 78 -8.872 -4.634 -16.848 576 H GLY 79 HN GLY 79 -5.375 -5.691 -13.915 577 HA2 GLY 79 2HA GLY 79 -5.362 -8.089 -12.260 578 HA3 GLY 79 1HA GLY 79 -4.241 -8.176 -13.630 579 H GLU 80 HN GLU 80 -4.851 -4.987 -12.375 580 HA GLU 80 HA GLU 80 -2.165 -4.938 -11.140 581 HB2 GLU 80 2HB GLU 80 -3.822 -2.803 -12.531 582 HB3 GLU 80 3HB GLU 80 -2.406 -2.464 -11.554 583 HG2 GLU 80 2HG GLU 80 -1.570 -2.473 -13.698 584 HG3 GLU 80 3HG GLU 80 -1.069 -4.011 -13.043 585 HA PRO 81 HA PRO 81 -4.944 -4.336 -7.426 586 HB2 PRO 81 2HB PRO 81 -2.940 -5.263 -5.666 587 HB3 PRO 81 3HB PRO 81 -4.285 -6.227 -6.286 588 HG2 PRO 81 2HG PRO 81 -1.458 -6.112 -7.275 589 HG3 PRO 81 3HG PRO 81 -2.541 -7.527 -7.166 590 HD2 PRO 81 2HD PRO 81 -2.033 -6.261 -9.503 591 HD3 PRO 81 3HD PRO 81 -3.644 -6.936 -9.157 592 H CYS 82 HN CYS 82 -4.921 -2.196 -6.841 593 HA CYS 82 HA CYS 82 -2.264 -0.936 -6.319 594 HB2 CYS 82 2HB CYS 82 -4.659 0.279 -7.722 595 HB3 CYS 82 3HB CYS 82 -3.319 1.229 -7.039 596 HG CYS 82 HG CYS 82 -3.168 -1.232 -9.235 597 H LEU 83 HN LEU 83 -2.028 -0.351 -4.325 598 HA LEU 83 HA LEU 83 -4.406 -0.127 -2.534 599 HB2 LEU 83 2HB LEU 83 -1.530 -0.939 -1.881 600 HB3 LEU 83 3HB LEU 83 -2.778 -0.737 -0.731 601 HG LEU 83 HG LEU 83 -2.777 -2.945 -0.808 602 HD11 LEU 83 1HD1 LEU 83 -5.027 -2.254 -1.428 603 HD12 LEU 83 2HD1 LEU 83 -4.634 -3.879 -2.007 604 HD13 LEU 83 3HD1 LEU 83 -4.667 -2.536 -3.159 605 HD21 LEU 83 1HD2 LEU 83 -2.258 -4.358 -2.779 606 HD22 LEU 83 2HD2 LEU 83 -1.011 -3.132 -2.572 607 HD23 LEU 83 3HD2 LEU 83 -2.240 -2.940 -3.838 608 H PHE 84 HN PHE 84 -4.235 1.386 -0.862 609 HA PHE 84 HA PHE 84 -2.148 3.487 -1.037 610 HB2 PHE 84 2HB PHE 84 -5.057 4.276 -0.790 611 HB3 PHE 84 3HB PHE 84 -3.685 5.273 -1.174 612 HD1 PHE 84 1HD PHE 84 -5.885 2.554 -2.525 613 HD2 PHE 84 2HD PHE 84 -2.981 5.573 -3.479 614 HE1 PHE 84 1HE PHE 84 -6.161 2.040 -4.905 615 HE2 PHE 84 2HE PHE 84 -3.293 5.083 -5.892 616 HZ PHE 84 HZ PHE 84 -4.866 3.306 -6.615 617 H VAL 85 HN VAL 85 -1.563 4.177 1.024 618 HA VAL 85 HA VAL 85 -3.232 3.429 3.339 619 HB VAL 85 HB VAL 85 -1.197 2.565 4.482 620 HG11 VAL 85 1HG1 VAL 85 -1.875 0.681 2.228 621 HG12 VAL 85 2HG1 VAL 85 -1.327 0.362 3.914 622 HG13 VAL 85 3HG1 VAL 85 -2.953 0.999 3.620 623 HG21 VAL 85 1HG2 VAL 85 0.610 1.528 3.122 624 HG22 VAL 85 2HG2 VAL 85 0.065 2.478 1.722 625 HG23 VAL 85 3HG2 VAL 85 0.635 3.287 3.201 626 H ASN 86 HN ASN 86 -2.086 4.329 5.344 627 HA ASN 86 HA ASN 86 -1.888 7.150 5.218 628 HB2 ASN 86 2HB ASN 86 -1.186 5.016 7.251 629 HB3 ASN 86 3HB ASN 86 -0.648 6.661 7.525 630 HD21 ASN 86 1HD2 ASN 86 -3.444 4.579 7.313 631 HD22 ASN 86 2HD2 ASN 86 -4.505 5.731 8.074 632 H ARG 87 HN ARG 87 0.506 5.056 6.210 633 HA ARG 87 HA ARG 87 2.809 6.097 4.711 634 HB2 ARG 87 2HB ARG 87 1.887 7.564 7.066 635 HB3 ARG 87 3HB ARG 87 3.531 7.073 7.323 636 HG2 ARG 87 2HG ARG 87 4.289 8.725 6.206 637 HG3 ARG 87 3HG ARG 87 3.489 8.200 4.730 638 HD2 ARG 87 2HD ARG 87 2.944 10.525 5.489 639 HD3 ARG 87 3HD ARG 87 1.551 9.492 5.223 640 HE ARG 87 HE ARG 87 2.708 10.237 7.879 641 HH11 ARG 87 1HH1 ARG 87 -0.260 9.241 6.105 642 HH12 ARG 87 2HH1 ARG 87 -1.149 8.952 7.556 643 HH21 ARG 87 1HH2 ARG 87 1.275 10.263 9.716 644 HH22 ARG 87 2HH2 ARG 87 -0.140 9.278 9.654 645 H GLN 88 HN GLN 88 2.439 5.358 8.115 646 HA GLN 88 HA GLN 88 4.623 3.477 8.107 647 HB2 GLN 88 2HB GLN 88 3.501 3.142 10.554 648 HB3 GLN 88 3HB GLN 88 4.693 4.350 10.170 649 HG2 GLN 88 2HG GLN 88 1.750 5.006 9.977 650 HG3 GLN 88 3HG GLN 88 2.582 4.957 11.509 651 HE21 GLN 88 1HE2 GLN 88 1.461 7.247 10.365 652 HE22 GLN 88 2HE2 GLN 88 2.710 8.481 10.338 653 H ASP 89 HN ASP 89 1.202 3.274 7.807 654 HA ASP 89 HA ASP 89 0.813 0.451 8.161 655 HB2 ASP 89 2HB ASP 89 -0.952 2.099 8.191 656 HB3 ASP 89 3HB ASP 89 -0.708 2.393 6.479 657 H GLU 90 HN GLU 90 2.587 2.131 5.637 658 HA GLU 90 HA GLU 90 2.210 -0.000 3.721 659 HB2 GLU 90 2HB GLU 90 3.269 2.338 3.273 660 HB3 GLU 90 3HB GLU 90 4.750 1.668 3.988 661 HG2 GLU 90 2HG GLU 90 4.037 -0.356 2.248 662 HG3 GLU 90 3HG GLU 90 3.364 1.031 1.421 663 H PHE 91 HN PHE 91 4.906 0.737 6.039 664 HA PHE 91 HA PHE 91 6.190 -1.701 5.440 665 HB2 PHE 91 2HB PHE 91 7.674 -1.270 7.287 666 HB3 PHE 91 3HB PHE 91 7.415 0.195 6.364 667 HD1 PHE 91 1HD PHE 91 6.792 2.174 7.559 668 HD2 PHE 91 2HD PHE 91 6.726 -1.666 9.440 669 HE1 PHE 91 1HE PHE 91 6.537 3.276 9.776 670 HE2 PHE 91 2HE PHE 91 6.285 -0.581 11.666 671 HZ PHE 91 HZ PHE 91 6.163 1.899 11.813 672 H ALA 92 HN ALA 92 4.092 -0.730 8.006 673 HA ALA 92 HA ALA 92 4.138 -3.039 9.656 674 HB1 ALA 92 1HB ALA 92 1.849 -1.062 9.288 675 HB2 ALA 92 2HB ALA 92 2.045 -2.198 10.635 676 HB3 ALA 92 3HB ALA 92 3.214 -0.880 10.407 677 H ALA 93 HN ALA 93 1.586 -2.154 7.132 678 HA ALA 93 HA ALA 93 0.240 -4.629 7.428 679 HB1 ALA 93 1HB ALA 93 -0.786 -2.652 6.343 680 HB2 ALA 93 2HB ALA 93 0.350 -2.808 4.994 681 HB3 ALA 93 3HB ALA 93 -0.828 -4.101 5.295 682 H THR 94 HN THR 94 2.912 -3.624 5.123 683 HA THR 94 HA THR 94 2.688 -6.073 3.729 684 HB THR 94 HB THR 94 3.831 -4.064 2.813 685 HG1 THR 94 1HG THR 94 4.420 -5.652 1.605 686 HG21 THR 94 1HG2 THR 94 6.266 -4.959 4.421 687 HG22 THR 94 2HG2 THR 94 5.292 -3.523 4.759 688 HG23 THR 94 3HG2 THR 94 6.168 -3.627 3.239 689 H CYS 95 HN CYS 95 4.540 -5.216 6.673 690 HA CYS 95 HA CYS 95 5.933 -7.649 6.997 691 HB2 CYS 95 2HB CYS 95 5.999 -5.479 8.499 692 HB3 CYS 95 3HB CYS 95 4.638 -6.221 9.345 693 HG CYS 95 HG CYS 95 6.190 -7.241 10.857 694 H ARG 96 HN ARG 96 2.624 -6.769 8.151 695 HA ARG 96 HA ARG 96 2.099 -9.280 9.402 696 HB2 ARG 96 2HB ARG 96 0.032 -7.434 8.115 697 HB3 ARG 96 3HB ARG 96 -0.265 -8.698 9.312 698 HG2 ARG 96 2HG ARG 96 1.229 -7.377 10.915 699 HG3 ARG 96 3HG ARG 96 1.152 -6.071 9.728 700 HD2 ARG 96 2HD ARG 96 -1.454 -6.484 9.848 701 HD3 ARG 96 3HD ARG 96 -1.079 -7.218 11.410 702 HE ARG 96 HE ARG 96 -1.299 -4.480 10.768 703 HH11 ARG 96 1HH1 ARG 96 0.464 -6.565 13.029 704 HH12 ARG 96 2HH1 ARG 96 1.090 -5.220 13.935 705 HH21 ARG 96 1HH2 ARG 96 -0.636 -2.809 12.054 706 HH22 ARG 96 2HH2 ARG 96 0.594 -2.961 13.253 707 H LEU 97 HN LEU 97 1.395 -8.175 6.040 708 HA LEU 97 HA LEU 97 0.123 -10.655 5.357 709 HB2 LEU 97 2HB LEU 97 1.015 -8.189 3.914 710 HB3 LEU 97 3HB LEU 97 0.698 -9.630 2.951 711 HG LEU 97 HG LEU 97 -1.210 -8.140 3.023 712 HD11 LEU 97 1HD1 LEU 97 -2.912 -9.781 3.454 713 HD12 LEU 97 2HD1 LEU 97 -1.909 -10.649 4.633 714 HD13 LEU 97 3HD1 LEU 97 -1.496 -10.683 2.914 715 HD21 LEU 97 1HD2 LEU 97 -0.966 -7.098 5.165 716 HD22 LEU 97 2HD2 LEU 97 -1.352 -8.627 6.005 717 HD23 LEU 97 3HD2 LEU 97 -2.572 -7.853 4.970 718 H LYS 98 HN LYS 98 3.524 -9.519 4.852 719 HA LYS 98 HA LYS 98 4.467 -11.913 3.596 720 HB2 LYS 98 2HB LYS 98 5.816 -9.914 5.447 721 HB3 LYS 98 3HB LYS 98 6.571 -11.446 5.096 722 HG2 LYS 98 2HG LYS 98 7.580 -10.397 3.449 723 HG3 LYS 98 3HG LYS 98 6.120 -10.725 2.528 724 HD2 LYS 98 2HD LYS 98 5.384 -8.484 2.691 725 HD3 LYS 98 3HD LYS 98 6.419 -8.146 4.080 726 HE2 LYS 98 2HE LYS 98 8.128 -7.516 2.920 727 HE3 LYS 98 3HE LYS 98 8.090 -8.895 1.814 728 HZ1 LYS 98 1HZ LYS 98 7.782 -6.732 0.656 729 HZ2 LYS 98 2HZ LYS 98 6.462 -6.415 1.579 730 HZ3 LYS 98 3HZ LYS 98 6.432 -7.587 0.502 731 H ASN 99 HN ASN 99 3.742 -11.215 7.011 732 HA ASN 99 HA ASN 99 4.622 -13.717 8.003 733 HB2 ASN 99 2HB ASN 99 3.690 -11.319 9.126 734 HB3 ASN 99 3HB ASN 99 2.407 -12.456 9.520 735 HD21 ASN 99 1HD2 ASN 99 6.058 -12.486 9.342 736 HD22 ASN 99 2HD2 ASN 99 6.199 -13.312 10.896 737 H PHE 100 HN PHE 100 1.252 -12.659 7.156 738 HA PHE 100 HA PHE 100 0.091 -15.221 7.605 739 HB2 PHE 100 2HB PHE 100 -0.871 -12.726 6.894 740 HB3 PHE 100 3HB PHE 100 -1.147 -13.629 5.422 741 HD1 PHE 100 1HD PHE 100 -2.852 -12.450 8.034 742 HD2 PHE 100 2HD PHE 100 -2.041 -16.340 6.372 743 HE1 PHE 100 1HE PHE 100 -4.922 -13.333 9.047 744 HE2 PHE 100 2HE PHE 100 -4.065 -17.226 7.436 745 HZ PHE 100 HZ PHE 100 -5.518 -15.734 8.790 746 H GLY 101 HN GLY 101 2.197 -14.172 5.098 747 HA2 GLY 101 2HA GLY 101 3.476 -16.109 4.451 748 HA3 GLY 101 1HA GLY 101 1.994 -16.935 3.983 749 H VAL 102 HN VAL 102 2.109 -13.533 3.036 750 HA VAL 102 HA VAL 102 2.760 -14.431 0.284 751 HB VAL 102 HB VAL 102 1.060 -12.793 -0.481 752 HG11 VAL 102 1HG1 VAL 102 -0.010 -15.043 1.261 753 HG12 VAL 102 2HG1 VAL 102 -0.785 -14.294 -0.150 754 HG13 VAL 102 3HG1 VAL 102 0.686 -15.261 -0.347 755 HG21 VAL 102 1HG2 VAL 102 0.789 -11.416 1.552 756 HG22 VAL 102 2HG2 VAL 102 -0.726 -12.112 1.001 757 HG23 VAL 102 3HG2 VAL 102 0.086 -12.810 2.413 758 H ALA 103 HN ALA 103 4.178 -13.381 -0.828 759 HA ALA 103 HA ALA 103 5.481 -10.951 0.168 760 HB1 ALA 103 1HB ALA 103 6.791 -12.549 -1.138 761 HB2 ALA 103 2HB ALA 103 5.635 -12.449 -2.498 762 HB3 ALA 103 3HB ALA 103 6.600 -11.018 -2.049 763 H ILE 104 HN ILE 104 4.507 -8.970 -0.074 764 HA ILE 104 HA ILE 104 3.437 -8.319 -2.685 765 HB ILE 104 HB ILE 104 1.697 -6.952 -1.746 766 HG12 ILE 104 2HG1 ILE 104 2.413 -6.251 0.401 767 HG13 ILE 104 3HG1 ILE 104 0.916 -7.138 0.572 768 HG21 ILE 104 1HG2 ILE 104 1.301 -9.736 -0.587 769 HG22 ILE 104 2HG2 ILE 104 0.084 -8.595 -1.173 770 HG23 ILE 104 3HG2 ILE 104 1.187 -9.355 -2.312 771 HD11 ILE 104 1HD1 ILE 104 2.248 -9.133 1.403 772 HD12 ILE 104 2HD1 ILE 104 3.707 -8.119 1.353 773 HD13 ILE 104 3HD1 ILE 104 2.401 -7.678 2.405 774 H ALA 105 HN ALA 105 4.239 -6.453 -3.357 775 HA ALA 105 HA ALA 105 5.709 -4.812 -3.666 776 HB1 ALA 105 1HB ALA 105 5.120 -2.787 -2.435 777 HB2 ALA 105 2HB ALA 105 3.666 -3.731 -2.812 778 HB3 ALA 105 3HB ALA 105 4.354 -3.775 -1.157 779 H GLU 106 HN GLU 106 7.158 -2.958 -2.401 780 HA GLU 106 HA GLU 106 9.439 -4.594 -1.840 781 HB2 GLU 106 2HB GLU 106 9.197 -1.556 -1.566 782 HB3 GLU 106 3HB GLU 106 10.662 -2.530 -1.693 783 HG2 GLU 106 2HG GLU 106 10.484 -1.828 -3.865 784 HG3 GLU 106 3HG GLU 106 9.640 -3.379 -3.953 785 HA PRO 107 HA PRO 107 8.900 -4.472 2.615 786 HB2 PRO 107 2HB PRO 107 11.283 -5.472 3.464 787 HB3 PRO 107 3HB PRO 107 10.125 -6.465 2.529 788 HG2 PRO 107 2HG PRO 107 12.505 -4.902 1.434 789 HG3 PRO 107 3HG PRO 107 12.112 -6.643 1.207 790 HD2 PRO 107 2HD PRO 107 11.401 -4.745 -0.616 791 HD3 PRO 107 3HD PRO 107 10.291 -6.097 -0.217 792 H PHE 108 HN PHE 108 9.583 -3.366 4.536 793 HA PHE 108 HA PHE 108 11.002 -0.908 4.341 794 HB2 PHE 108 2HB PHE 108 10.606 -0.913 6.783 795 HB3 PHE 108 3HB PHE 108 9.208 -1.111 5.744 796 HD1 PHE 108 1HD PHE 108 7.838 -3.048 5.855 797 HD2 PHE 108 2HD PHE 108 11.572 -2.945 7.925 798 HE1 PHE 108 1HE PHE 108 7.348 -5.300 6.817 799 HE2 PHE 108 2HE PHE 108 11.079 -5.166 8.986 800 HZ PHE 108 HZ PHE 108 8.971 -6.354 8.413 801 H SER 109 HN SER 109 12.713 -3.381 3.561 802 HA SER 109 HA SER 109 14.732 -3.207 5.707 803 HB2 SER 109 2HB SER 109 15.879 -5.015 4.402 804 HB3 SER 109 3HB SER 109 14.366 -5.475 5.181 805 HG SER 109 HG SER 109 14.380 -6.258 3.063 806 H ASN 110 HN ASN 110 16.766 -2.524 5.195 807 HA ASN 110 HA ASN 110 16.727 -0.010 4.070 808 HB2 ASN 110 2HB ASN 110 19.182 -1.758 4.496 809 HB3 ASN 110 3HB ASN 110 19.155 -0.007 4.284 810 HD21 ASN 110 1HD2 ASN 110 18.461 1.316 6.077 811 HD22 ASN 110 2HD2 ASN 110 18.305 0.624 7.680 812 H TYR 111 HN TYR 111 16.169 0.282 2.028 813 HA TYR 111 HA TYR 111 15.825 0.018 -0.157 814 HB2 TYR 111 2HB TYR 111 17.747 0.377 -1.582 815 HB3 TYR 111 3HB TYR 111 17.534 1.518 -0.275 816 HD1 TYR 111 1HD TYR 111 19.567 -1.523 -1.216 817 HD2 TYR 111 2HD TYR 111 19.282 2.031 1.223 818 HE1 TYR 111 1HE TYR 111 21.777 -2.017 -0.260 819 HE2 TYR 111 2HE TYR 111 21.530 1.590 2.141 820 HH TYR 111 HH TYR 111 23.173 -1.489 1.617 821 H ASN 112 HN ASN 112 15.886 -2.473 1.247 822 HA ASN 112 HA ASN 112 15.420 -4.639 0.769 823 HB2 ASN 112 2HB ASN 112 15.716 -4.184 -2.191 824 HB3 ASN 112 3HB ASN 112 14.747 -5.368 -1.343 825 HD21 ASN 112 1HD2 ASN 112 13.741 -2.830 0.483 826 HD22 ASN 112 2HD2 ASN 112 12.781 -1.948 -0.673 827 HA PRO 113 HA PRO 113 19.991 -4.794 0.461 828 HB2 PRO 113 2HB PRO 113 20.567 -6.486 2.551 829 HB3 PRO 113 3HB PRO 113 20.036 -4.809 2.859 830 HG2 PRO 113 2HG PRO 113 18.290 -7.272 2.630 831 HG3 PRO 113 3HG PRO 113 18.394 -6.146 4.058 832 HD2 PRO 113 2HD PRO 113 16.489 -5.832 2.222 833 HD3 PRO 113 3HD PRO 113 17.397 -4.358 2.721 834 H PHE 114 HN PHE 114 17.854 -7.557 0.696 835 HA PHE 114 HA PHE 114 17.889 -9.713 0.035 836 HB2 PHE 114 2HB PHE 114 18.663 -7.810 -2.061 837 HB3 PHE 114 3HB PHE 114 18.898 -9.497 -2.493 838 HD1 PHE 114 1HD PHE 114 16.268 -7.505 -0.657 839 HD2 PHE 114 2HD PHE 114 17.115 -10.360 -3.766 840 HE1 PHE 114 1HE PHE 114 13.841 -7.761 -1.080 841 HE2 PHE 114 2HE PHE 114 14.687 -10.599 -4.172 842 HZ PHE 114 HZ PHE 114 13.057 -9.322 -2.831 Start of MODEL 5 1 H THR 2 HN THR 2 1.312 -21.418 -2.358 2 HA THR 2 HA THR 2 1.057 -19.282 -0.407 3 HB THR 2 HB THR 2 3.894 -20.175 -0.978 4 HG1 THR 2 1HG THR 2 3.316 -21.869 0.070 5 HG21 THR 2 1HG2 THR 2 3.587 -17.901 -0.064 6 HG22 THR 2 2HG2 THR 2 4.306 -18.944 1.157 7 HG23 THR 2 3HG2 THR 2 2.576 -18.532 1.241 8 H SER 3 HN SER 3 0.233 -19.729 -3.142 9 HA SER 3 HA SER 3 0.188 -18.777 -5.143 10 HB2 SER 3 2HB SER 3 1.696 -16.489 -3.792 11 HB3 SER 3 3HB SER 3 0.766 -16.397 -5.282 12 HG SER 3 HG SER 3 -1.068 -16.472 -4.250 13 H LEU 4 HN LEU 4 1.559 -17.490 -6.844 14 HA LEU 4 HA LEU 4 4.154 -18.864 -7.212 15 HB2 LEU 4 2HB LEU 4 1.822 -18.826 -9.165 16 HB3 LEU 4 3HB LEU 4 3.410 -19.514 -9.484 17 HG LEU 4 HG LEU 4 1.463 -20.544 -7.378 18 HD11 LEU 4 1HD1 LEU 4 2.199 -21.620 -10.125 19 HD12 LEU 4 2HD1 LEU 4 0.637 -20.926 -9.633 20 HD13 LEU 4 3HD1 LEU 4 1.198 -22.452 -8.918 21 HD21 LEU 4 1HD2 LEU 4 2.911 -22.495 -7.203 22 HD22 LEU 4 2HD2 LEU 4 3.848 -21.049 -6.806 23 HD23 LEU 4 3HD2 LEU 4 4.045 -21.809 -8.389 24 H GLN 5 HN GLN 5 3.298 -15.963 -6.649 25 HA GLN 5 HA GLN 5 4.974 -14.726 -8.593 26 HB2 GLN 5 2HB GLN 5 2.114 -14.675 -9.118 27 HB3 GLN 5 3HB GLN 5 2.622 -13.044 -8.660 28 HG2 GLN 5 2HG GLN 5 4.440 -13.110 -10.293 29 HG3 GLN 5 3HG GLN 5 4.015 -14.746 -10.770 30 HE21 GLN 5 1HE2 GLN 5 1.126 -14.541 -11.060 31 HE22 GLN 5 2HE2 GLN 5 0.771 -13.333 -12.243 32 H LEU 6 HN LEU 6 5.817 -12.802 -7.717 33 HA LEU 6 HA LEU 6 4.652 -11.541 -5.356 34 HB2 LEU 6 2HB LEU 6 6.764 -11.949 -4.064 35 HB3 LEU 6 3HB LEU 6 5.616 -13.257 -4.193 36 HG LEU 6 HG LEU 6 8.054 -13.770 -4.313 37 HD11 LEU 6 1HD1 LEU 6 7.801 -15.674 -5.632 38 HD12 LEU 6 2HD1 LEU 6 6.561 -14.963 -6.646 39 HD13 LEU 6 3HD1 LEU 6 6.180 -15.354 -4.961 40 HD21 LEU 6 1HD2 LEU 6 8.826 -12.058 -5.790 41 HD22 LEU 6 2HD2 LEU 6 7.822 -12.654 -7.104 42 HD23 LEU 6 3HD2 LEU 6 9.182 -13.645 -6.506 43 H SER 7 HN SER 7 5.726 -10.829 -8.229 44 HA SER 7 HA SER 7 7.952 -9.024 -7.544 45 HB2 SER 7 2HB SER 7 6.585 -9.808 -10.151 46 HB3 SER 7 3HB SER 7 7.990 -8.724 -10.038 47 HG SER 7 HG SER 7 8.271 -11.156 -10.367 48 H ILE 8 HN ILE 8 7.889 -6.760 -7.970 49 HA ILE 8 HA ILE 8 5.393 -5.398 -8.577 50 HB ILE 8 HB ILE 8 5.784 -3.814 -6.662 51 HG12 ILE 8 2HG1 ILE 8 8.120 -4.629 -6.075 52 HG13 ILE 8 3HG1 ILE 8 7.029 -4.200 -4.795 53 HG21 ILE 8 1HG2 ILE 8 4.826 -6.582 -5.962 54 HG22 ILE 8 2HG2 ILE 8 4.524 -5.113 -5.010 55 HG23 ILE 8 3HG2 ILE 8 3.877 -5.254 -6.641 56 HD11 ILE 8 1HD1 ILE 8 6.596 -6.641 -4.350 57 HD12 ILE 8 2HD1 ILE 8 7.798 -7.048 -5.581 58 HD13 ILE 8 3HD1 ILE 8 8.277 -6.155 -4.137 59 H VAL 9 HN VAL 9 5.874 -3.020 -8.899 60 HA VAL 9 HA VAL 9 8.685 -2.515 -9.688 61 HB VAL 9 HB VAL 9 7.774 -0.814 -11.225 62 HG11 VAL 9 1HG1 VAL 9 7.159 -2.408 -12.963 63 HG12 VAL 9 2HG1 VAL 9 8.442 -3.086 -11.955 64 HG13 VAL 9 3HG1 VAL 9 6.740 -3.624 -11.749 65 HG21 VAL 9 1HG2 VAL 9 5.563 -0.368 -10.347 66 HG22 VAL 9 2HG2 VAL 9 5.446 -0.951 -12.003 67 HG23 VAL 9 3HG2 VAL 9 5.040 -2.045 -10.668 68 H HIS 10 HN HIS 10 9.703 -0.970 -8.676 69 HA HIS 10 HA HIS 10 8.556 0.294 -6.284 70 HB2 HIS 10 2HB HIS 10 11.037 0.993 -6.076 71 HB3 HIS 10 3HB HIS 10 10.619 -0.694 -5.828 72 HD1 HIS 10 1HD HIS 10 11.651 -2.478 -7.501 73 HD2 HIS 10 2HD HIS 10 12.483 1.571 -8.384 74 HE1 HIS 10 1HE HIS 10 13.408 -2.484 -9.336 75 H ARG 11 HN ARG 11 7.089 1.618 -7.775 76 HA ARG 11 HA ARG 11 8.345 4.226 -7.828 77 HB2 ARG 11 2HB ARG 11 8.147 2.830 -10.371 78 HB3 ARG 11 3HB ARG 11 7.062 4.221 -10.393 79 HG2 ARG 11 2HG ARG 11 8.854 5.745 -9.813 80 HG3 ARG 11 3HG ARG 11 9.990 4.410 -9.591 81 HD2 ARG 11 2HD ARG 11 9.898 3.830 -11.938 82 HD3 ARG 11 3HD ARG 11 8.638 5.045 -12.239 83 HE ARG 11 HE ARG 11 10.426 6.670 -11.271 84 HH11 ARG 11 1HH1 ARG 11 11.211 3.967 -13.492 85 HH12 ARG 11 2HH1 ARG 11 12.678 4.707 -14.029 86 HH21 ARG 11 1HH2 ARG 11 12.414 7.502 -11.935 87 HH22 ARG 11 2HH2 ARG 11 13.296 6.808 -13.248 88 H LEU 12 HN LEU 12 6.895 5.418 -6.750 89 HA LEU 12 HA LEU 12 4.094 5.382 -7.458 90 HB2 LEU 12 2HB LEU 12 3.339 5.203 -5.089 91 HB3 LEU 12 3HB LEU 12 3.902 3.704 -5.805 92 HG LEU 12 HG LEU 12 5.951 5.240 -4.239 93 HD11 LEU 12 1HD1 LEU 12 5.081 4.381 -2.071 94 HD12 LEU 12 2HD1 LEU 12 3.586 3.890 -2.877 95 HD13 LEU 12 3HD1 LEU 12 4.028 5.615 -2.798 96 HD21 LEU 12 1HD2 LEU 12 5.075 2.306 -4.266 97 HD22 LEU 12 2HD2 LEU 12 6.479 2.947 -3.409 98 HD23 LEU 12 3HD2 LEU 12 6.438 2.985 -5.174 99 HA PRO 13 HA PRO 13 4.546 9.689 -6.063 100 HB2 PRO 13 2HB PRO 13 1.934 10.381 -5.595 101 HB3 PRO 13 3HB PRO 13 2.596 10.148 -7.236 102 HG2 PRO 13 2HG PRO 13 1.040 8.207 -5.505 103 HG3 PRO 13 3HG PRO 13 0.756 8.633 -7.230 104 HD2 PRO 13 2HD PRO 13 2.148 6.407 -6.557 105 HD3 PRO 13 3HD PRO 13 2.640 7.418 -7.945 106 H GLN 14 HN GLN 14 4.354 11.063 -4.164 107 HA GLN 14 HA GLN 14 3.576 9.743 -1.624 108 HB2 GLN 14 2HB GLN 14 5.904 9.125 -2.169 109 HB3 GLN 14 3HB GLN 14 6.342 10.837 -2.325 110 HG2 GLN 14 2HG GLN 14 6.192 11.236 -0.091 111 HG3 GLN 14 3HG GLN 14 4.974 9.996 0.167 112 HE21 GLN 14 1HE2 GLN 14 8.516 10.317 -0.608 113 HE22 GLN 14 2HE2 GLN 14 9.031 8.937 0.307 114 H ASN 15 HN ASN 15 2.729 12.125 -3.231 115 HA ASN 15 HA ASN 15 2.167 13.677 -0.852 116 HB2 ASN 15 2HB ASN 15 4.395 14.363 -2.030 117 HB3 ASN 15 3HB ASN 15 3.378 15.149 -3.239 118 HD21 ASN 15 1HD2 ASN 15 3.662 14.870 0.377 119 HD22 ASN 15 2HD2 ASN 15 3.316 16.552 0.683 120 H TYR 16 HN TYR 16 0.217 12.569 -1.345 121 HA TYR 16 HA TYR 16 -1.632 14.285 -2.838 122 HB2 TYR 16 2HB TYR 16 -2.440 12.487 -4.280 123 HB3 TYR 16 3HB TYR 16 -0.709 12.563 -4.525 124 HD1 TYR 16 1HD TYR 16 0.768 10.867 -3.044 125 HD2 TYR 16 2HD TYR 16 -3.485 10.671 -3.658 126 HE1 TYR 16 1HE TYR 16 0.744 8.551 -2.196 127 HE2 TYR 16 2HE TYR 16 -3.593 8.470 -2.612 128 HH TYR 16 HH TYR 16 -0.788 7.081 -0.973 129 H ARG 17 HN ARG 17 -3.941 12.931 -2.463 130 HA ARG 17 HA ARG 17 -3.948 10.958 -0.392 131 HB2 ARG 17 2HB ARG 17 -5.286 12.356 1.313 132 HB3 ARG 17 3HB ARG 17 -3.621 12.846 1.150 133 HG2 ARG 17 2HG ARG 17 -4.371 14.779 -0.296 134 HG3 ARG 17 3HG ARG 17 -6.040 14.255 -0.024 135 HD2 ARG 17 2HD ARG 17 -5.026 14.325 2.566 136 HD3 ARG 17 3HD ARG 17 -4.116 15.608 1.792 137 HE ARG 17 HE ARG 17 -6.069 16.788 1.304 138 HH11 ARG 17 1HH1 ARG 17 -6.686 13.960 3.431 139 HH12 ARG 17 2HH1 ARG 17 -8.076 14.668 4.168 140 HH21 ARG 17 1HH2 ARG 17 -7.875 17.667 2.348 141 HH22 ARG 17 2HH2 ARG 17 -8.659 16.851 3.659 142 H TRP 18 HN TRP 18 -6.734 11.283 0.450 143 HA TRP 18 HA TRP 18 -8.246 10.711 -1.908 144 HB2 TRP 18 2HB TRP 18 -9.520 11.713 0.620 145 HB3 TRP 18 3HB TRP 18 -10.053 10.453 -0.455 146 HD1 TRP 18 1HD TRP 18 -9.269 10.792 2.868 147 HE1 TRP 18 1HE TRP 18 -8.201 8.721 3.984 148 HE3 TRP 18 3HE TRP 18 -7.576 8.387 -1.309 149 HZ2 TRP 18 2HZ TRP 18 -6.934 6.296 3.166 150 HZ3 TRP 18 3HZ TRP 18 -6.345 6.262 -1.106 151 HH2 TRP 18 2HH TRP 18 -6.014 5.210 1.158 152 H SER 19 HN SER 19 -9.555 12.181 -3.157 153 HA SER 19 HA SER 19 -9.101 15.033 -2.771 154 HB2 SER 19 2HB SER 19 -9.602 13.503 -4.945 155 HB3 SER 19 3HB SER 19 -11.244 13.988 -4.594 156 HG SER 19 HG SER 19 -10.338 16.234 -4.596 157 H ALA 20 HN ALA 20 -10.589 13.556 -0.571 158 HA ALA 20 HA ALA 20 -12.356 13.814 0.808 159 HB1 ALA 20 1HB ALA 20 -12.333 16.664 -0.289 160 HB2 ALA 20 2HB ALA 20 -12.611 16.146 1.377 161 HB3 ALA 20 3HB ALA 20 -11.000 16.019 0.687 162 H GLY 21 HN GLY 21 -13.200 13.203 -2.103 163 HA2 GLY 21 2HA GLY 21 -16.066 14.005 -1.903 164 HA3 GLY 21 1HA GLY 21 -15.194 13.584 -3.389 165 H PHE 22 HN PHE 22 -13.843 11.229 -2.450 166 HA PHE 22 HA PHE 22 -16.058 9.349 -1.952 167 HB2 PHE 22 2HB PHE 22 -14.332 8.799 -4.363 168 HB3 PHE 22 3HB PHE 22 -15.923 8.249 -3.974 169 HD1 PHE 22 1HD PHE 22 -13.932 11.204 -5.165 170 HD2 PHE 22 2HD PHE 22 -17.856 9.449 -4.719 171 HE1 PHE 22 1HE PHE 22 -14.929 13.100 -6.416 172 HE2 PHE 22 2HE PHE 22 -18.827 11.333 -5.981 173 HZ PHE 22 HZ PHE 22 -17.362 13.203 -6.768 174 H ALA 23 HN ALA 23 -14.716 9.353 0.057 175 HA ALA 23 HA ALA 23 -12.026 8.813 0.254 176 HB1 ALA 23 1HB ALA 23 -13.459 9.507 2.114 177 HB2 ALA 23 2HB ALA 23 -14.224 7.886 2.124 178 HB3 ALA 23 3HB ALA 23 -12.507 8.070 2.542 179 H GLY 24 HN GLY 24 -14.298 6.408 -0.873 180 HA2 GLY 24 2HA GLY 24 -12.564 4.153 -0.090 181 HA3 GLY 24 1HA GLY 24 -14.021 4.105 -1.079 182 H SER 25 HN SER 25 -13.227 6.186 -2.996 183 HA SER 25 HA SER 25 -11.144 4.717 -4.510 184 HB2 SER 25 2HB SER 25 -13.482 3.690 -4.571 185 HB3 SER 25 3HB SER 25 -13.986 5.131 -5.447 186 HG SER 25 HG SER 25 -13.123 4.393 -7.144 187 H LYS 26 HN LYS 26 -10.949 7.463 -3.525 188 HA LYS 26 HA LYS 26 -10.652 8.773 -6.217 189 HB2 LYS 26 2HB LYS 26 -12.568 9.651 -5.126 190 HB3 LYS 26 3HB LYS 26 -11.622 10.077 -3.690 191 HG2 LYS 26 2HG LYS 26 -11.902 12.036 -4.905 192 HG3 LYS 26 3HG LYS 26 -10.241 11.559 -5.230 193 HD2 LYS 26 2HD LYS 26 -10.985 10.693 -7.477 194 HD3 LYS 26 3HD LYS 26 -12.639 11.241 -7.088 195 HE2 LYS 26 2HE LYS 26 -11.824 13.555 -6.819 196 HE3 LYS 26 3HE LYS 26 -10.167 13.031 -7.146 197 HZ1 LYS 26 1HZ LYS 26 -10.855 12.460 -9.381 198 HZ2 LYS 26 2HZ LYS 26 -11.252 14.033 -9.046 199 HZ3 LYS 26 3HZ LYS 26 -12.412 12.861 -9.098 200 H VAL 27 HN VAL 27 -8.635 9.891 -6.475 201 HA VAL 27 HA VAL 27 -7.346 10.687 -3.993 202 HB VAL 27 HB VAL 27 -5.093 10.186 -4.880 203 HG11 VAL 27 1HG1 VAL 27 -6.851 7.736 -4.558 204 HG12 VAL 27 2HG1 VAL 27 -5.085 7.785 -4.354 205 HG13 VAL 27 3HG1 VAL 27 -6.135 8.683 -3.234 206 HG21 VAL 27 1HG2 VAL 27 -5.554 9.970 -7.269 207 HG22 VAL 27 2HG2 VAL 27 -4.736 8.545 -6.627 208 HG23 VAL 27 3HG2 VAL 27 -6.476 8.482 -6.975 209 H GLU 28 HN GLU 28 -5.719 12.403 -4.376 210 HA GLU 28 HA GLU 28 -5.734 13.740 -6.952 211 HB2 GLU 28 2HB GLU 28 -7.705 14.746 -5.969 212 HB3 GLU 28 3HB GLU 28 -6.864 15.020 -4.441 213 HG2 GLU 28 2HG GLU 28 -5.305 16.565 -6.000 214 HG3 GLU 28 3HG GLU 28 -6.719 16.546 -7.044 215 HA PRO 29 HA PRO 29 -1.644 14.419 -5.065 216 HB2 PRO 29 2HB PRO 29 -0.490 15.990 -6.953 217 HB3 PRO 29 3HB PRO 29 -0.750 14.234 -7.152 218 HG2 PRO 29 2HG PRO 29 -2.502 16.489 -8.180 219 HG3 PRO 29 3HG PRO 29 -1.901 15.050 -9.065 220 HD2 PRO 29 2HD PRO 29 -4.388 15.104 -7.991 221 HD3 PRO 29 3HD PRO 29 -3.395 13.607 -7.885 222 H ILE 30 HN ILE 30 -0.609 15.944 -3.831 223 HA ILE 30 HA ILE 30 -2.265 17.774 -2.554 224 HB ILE 30 HB ILE 30 0.577 16.921 -2.421 225 HG12 ILE 30 2HG1 ILE 30 -1.521 17.595 -0.306 226 HG13 ILE 30 3HG1 ILE 30 -1.487 16.065 -1.182 227 HG21 ILE 30 1HG2 ILE 30 1.102 19.276 -2.403 228 HG22 ILE 30 2HG2 ILE 30 -0.312 19.647 -1.397 229 HG23 ILE 30 3HG2 ILE 30 1.087 18.772 -0.725 230 HD11 ILE 30 1HD1 ILE 30 -0.451 15.817 0.982 231 HD12 ILE 30 2HD1 ILE 30 0.747 15.561 -0.293 232 HD13 ILE 30 3HD1 ILE 30 0.730 17.084 0.631 233 HA PRO 31 HA PRO 31 -1.940 21.023 -5.673 234 HB2 PRO 31 2HB PRO 31 -4.083 22.507 -4.975 235 HB3 PRO 31 3HB PRO 31 -4.236 20.909 -5.751 236 HG2 PRO 31 2HG PRO 31 -4.496 21.565 -2.805 237 HG3 PRO 31 3HG PRO 31 -5.525 20.513 -3.810 238 HD2 PRO 31 2HD PRO 31 -3.511 19.578 -2.198 239 HD3 PRO 31 3HD PRO 31 -4.054 18.762 -3.693 240 H GLN 32 HN GLN 32 0.058 21.449 -4.665 241 HA GLN 32 HA GLN 32 1.637 22.459 -3.480 242 HB2 GLN 32 2HB GLN 32 1.895 24.781 -4.029 243 HB3 GLN 32 3HB GLN 32 1.342 23.813 -5.380 244 HG2 GLN 32 2HG GLN 32 -0.989 24.698 -4.999 245 HG3 GLN 32 3HG GLN 32 -0.336 25.774 -3.766 246 HE21 GLN 32 1HE2 GLN 32 0.720 27.715 -4.489 247 HE22 GLN 32 2HE2 GLN 32 0.930 28.077 -6.183 248 H ASN 33 HN ASN 33 -0.354 21.616 -1.787 249 HA ASN 33 HA ASN 33 -0.824 23.455 0.379 250 HB2 ASN 33 2HB ASN 33 -0.695 20.400 0.564 251 HB3 ASN 33 3HB ASN 33 -1.225 21.483 1.815 252 HD21 ASN 33 1HD2 ASN 33 -2.491 22.870 -1.046 253 HD22 ASN 33 2HD2 ASN 33 -4.034 22.104 -0.947 254 H GLY 34 HN GLY 34 1.669 20.866 -0.015 255 HA2 GLY 34 2HA GLY 34 4.000 21.389 0.603 256 HA3 GLY 34 1HA GLY 34 3.363 22.295 1.976 257 HA PRO 35 HA PRO 35 4.411 17.955 3.353 258 HB2 PRO 35 2HB PRO 35 5.788 18.746 5.646 259 HB3 PRO 35 3HB PRO 35 6.494 18.362 4.073 260 HG2 PRO 35 2HG PRO 35 5.757 21.045 5.264 261 HG3 PRO 35 3HG PRO 35 7.210 20.645 4.303 262 HD2 PRO 35 2HD PRO 35 5.067 21.943 3.243 263 HD3 PRO 35 3HD PRO 35 6.016 20.787 2.275 264 H CYS 36 HN CYS 36 4.048 17.049 5.672 265 HA CYS 36 HA CYS 36 2.299 18.686 7.339 266 HB2 CYS 36 2HB CYS 36 0.915 17.071 5.776 267 HB3 CYS 36 3HB CYS 36 1.424 15.804 6.899 268 HG CYS 36 HG CYS 36 -0.201 18.644 7.384 269 H GLY 37 HN GLY 37 3.416 15.266 7.212 270 HA2 GLY 37 2HA GLY 37 5.641 15.295 8.793 271 HA3 GLY 37 1HA GLY 37 4.339 15.387 9.975 272 H ASP 38 HN ASP 38 3.099 13.656 10.355 273 HA ASP 38 HA ASP 38 3.790 11.059 9.059 274 HB2 ASP 38 2HB ASP 38 2.732 11.434 11.847 275 HB3 ASP 38 3HB ASP 38 3.404 9.961 11.130 276 H ASN 39 HN ASN 39 1.865 13.070 8.211 277 HA ASN 39 HA ASN 39 -0.646 11.484 8.365 278 HB2 ASN 39 2HB ASN 39 -0.292 14.474 8.830 279 HB3 ASN 39 3HB ASN 39 -1.818 13.801 8.262 280 HD21 ASN 39 1HD2 ASN 39 0.424 13.727 10.985 281 HD22 ASN 39 2HD2 ASN 39 -0.666 13.045 12.162 282 H SER 40 HN SER 40 0.790 10.820 6.242 283 HA SER 40 HA SER 40 -0.532 12.156 4.012 284 HB2 SER 40 2HB SER 40 2.408 11.466 4.585 285 HB3 SER 40 3HB SER 40 1.801 11.493 2.975 286 HG SER 40 HG SER 40 2.481 13.538 4.613 287 H LEU 41 HN LEU 41 0.012 10.559 1.925 288 HA LEU 41 HA LEU 41 -1.012 8.074 2.727 289 HB2 LEU 41 2HB LEU 41 -2.384 10.345 2.197 290 HB3 LEU 41 3HB LEU 41 -1.866 10.005 0.531 291 HG LEU 41 HG LEU 41 -3.060 8.437 0.282 292 HD11 LEU 41 1HD1 LEU 41 -3.136 7.981 3.339 293 HD12 LEU 41 2HD1 LEU 41 -2.536 6.812 2.153 294 HD13 LEU 41 3HD1 LEU 41 -4.261 6.995 2.347 295 HD21 LEU 41 1HD2 LEU 41 -5.313 8.844 1.999 296 HD22 LEU 41 2HD2 LEU 41 -5.060 9.254 0.311 297 HD23 LEU 41 3HD2 LEU 41 -4.552 10.360 1.652 298 H VAL 42 HN VAL 42 0.001 6.391 1.477 299 HA VAL 42 HA VAL 42 1.730 7.238 -0.790 300 HB VAL 42 HB VAL 42 3.402 5.654 -0.076 301 HG11 VAL 42 1HG1 VAL 42 3.548 8.052 0.487 302 HG12 VAL 42 2HG1 VAL 42 2.750 7.719 2.043 303 HG13 VAL 42 3HG1 VAL 42 4.352 7.032 1.697 304 HG21 VAL 42 1HG2 VAL 42 2.500 4.017 1.229 305 HG22 VAL 42 2HG2 VAL 42 3.504 4.926 2.341 306 HG23 VAL 42 3HG2 VAL 42 1.741 5.144 2.379 307 H ALA 43 HN ALA 43 1.564 6.161 -2.587 308 HA ALA 43 HA ALA 43 -0.796 4.454 -2.804 309 HB1 ALA 43 1HB ALA 43 0.916 5.936 -4.834 310 HB2 ALA 43 2HB ALA 43 -0.595 5.090 -5.213 311 HB3 ALA 43 3HB ALA 43 -0.617 6.501 -4.153 312 H LEU 44 HN LEU 44 -0.054 2.353 -2.222 313 HA LEU 44 HA LEU 44 2.551 1.387 -3.151 314 HB2 LEU 44 2HB LEU 44 0.430 0.387 -1.331 315 HB3 LEU 44 3HB LEU 44 1.237 -0.871 -2.269 316 HG LEU 44 HG LEU 44 3.433 -0.129 -1.485 317 HD11 LEU 44 1HD1 LEU 44 1.831 2.140 -0.273 318 HD12 LEU 44 2HD1 LEU 44 3.363 2.179 -1.151 319 HD13 LEU 44 3HD1 LEU 44 3.341 1.595 0.507 320 HD21 LEU 44 1HD2 LEU 44 1.401 -0.565 0.753 321 HD22 LEU 44 2HD2 LEU 44 3.161 -0.788 0.877 322 HD23 LEU 44 3HD2 LEU 44 2.214 -1.813 -0.203 323 H LYS 45 HN LYS 45 3.036 0.078 -4.679 324 HA LYS 45 HA LYS 45 1.099 -1.043 -6.630 325 HB2 LYS 45 2HB LYS 45 4.131 -0.799 -6.435 326 HB3 LYS 45 3HB LYS 45 3.414 -2.119 -7.332 327 HG2 LYS 45 2HG LYS 45 4.002 -0.294 -8.792 328 HG3 LYS 45 3HG LYS 45 2.279 -0.618 -8.861 329 HD2 LYS 45 2HD LYS 45 3.374 1.573 -7.070 330 HD3 LYS 45 3HD LYS 45 3.190 1.847 -8.801 331 HE2 LYS 45 2HE LYS 45 0.843 1.481 -8.779 332 HE3 LYS 45 3HE LYS 45 0.870 0.836 -7.135 333 HZ1 LYS 45 1HZ LYS 45 0.092 3.088 -7.127 334 HZ2 LYS 45 2HZ LYS 45 1.477 3.623 -7.850 335 HZ3 LYS 45 3HZ LYS 45 1.517 3.014 -6.334 336 H LEU 46 HN LEU 46 -0.042 -2.436 -5.429 337 HA LEU 46 HA LEU 46 1.433 -4.708 -4.283 338 HB2 LEU 46 2HB LEU 46 -0.111 -3.324 -2.622 339 HB3 LEU 46 3HB LEU 46 -1.445 -3.944 -3.582 340 HG LEU 46 HG LEU 46 -1.238 -5.355 -1.703 341 HD11 LEU 46 1HD1 LEU 46 -1.475 -6.591 -3.913 342 HD12 LEU 46 2HD1 LEU 46 -0.809 -7.543 -2.568 343 HD13 LEU 46 3HD1 LEU 46 0.260 -6.919 -3.822 344 HD21 LEU 46 1HD2 LEU 46 1.738 -5.625 -2.291 345 HD22 LEU 46 2HD2 LEU 46 0.830 -6.440 -1.002 346 HD23 LEU 46 3HD2 LEU 46 0.981 -4.673 -0.982 347 H LEU 47 HN LEU 47 1.262 -6.212 -5.950 348 HA LEU 47 HA LEU 47 -1.277 -6.431 -7.271 349 HB2 LEU 47 2HB LEU 47 -0.456 -6.461 -9.602 350 HB3 LEU 47 3HB LEU 47 -0.733 -4.924 -8.858 351 HG LEU 47 HG LEU 47 1.192 -5.093 -10.432 352 HD11 LEU 47 1HD1 LEU 47 1.972 -4.096 -7.679 353 HD12 LEU 47 2HD1 LEU 47 0.916 -3.236 -8.829 354 HD13 LEU 47 3HD1 LEU 47 2.606 -3.565 -9.257 355 HD21 LEU 47 1HD2 LEU 47 2.717 -6.435 -8.182 356 HD22 LEU 47 2HD2 LEU 47 3.333 -5.925 -9.756 357 HD23 LEU 47 3HD2 LEU 47 2.169 -7.244 -9.668 358 H SER 48 HN SER 48 2.013 -7.797 -7.029 359 HA SER 48 HA SER 48 0.872 -10.464 -7.582 360 HB2 SER 48 2HB SER 48 3.580 -9.577 -6.522 361 HB3 SER 48 3HB SER 48 3.075 -11.240 -6.825 362 HG SER 48 HG SER 48 3.705 -9.225 -8.626 363 HA PRO 49 HA PRO 49 1.363 -12.728 -6.519 364 HB2 PRO 49 2HB PRO 49 -0.387 -14.293 -5.037 365 HB3 PRO 49 3HB PRO 49 1.381 -14.240 -4.791 366 HG2 PRO 49 2HG PRO 49 -0.764 -12.785 -3.256 367 HG3 PRO 49 3HG PRO 49 0.688 -13.630 -2.637 368 HD2 PRO 49 2HD PRO 49 0.649 -10.929 -2.940 369 HD3 PRO 49 3HD PRO 49 2.114 -11.878 -3.347 370 H ASP 50 HN ASP 50 -0.454 -13.875 -7.662 371 HA ASP 50 HA ASP 50 -2.350 -11.724 -8.457 372 HB2 ASP 50 2HB ASP 50 -0.415 -12.130 -9.885 373 HB3 ASP 50 3HB ASP 50 -0.798 -13.847 -9.952 374 H GLY 51 HN GLY 51 -4.330 -12.324 -9.371 375 HA2 GLY 51 2HA GLY 51 -6.174 -13.585 -9.842 376 HA3 GLY 51 1HA GLY 51 -5.404 -15.027 -9.151 377 H ASP 52 HN ASP 52 -8.026 -14.392 -8.697 378 HA ASP 52 HA ASP 52 -8.695 -12.576 -6.842 379 HB2 ASP 52 2HB ASP 52 -10.136 -15.208 -7.011 380 HB3 ASP 52 3HB ASP 52 -10.814 -13.666 -6.485 381 H ASN 53 HN ASN 53 -7.140 -15.478 -6.132 382 HA ASN 53 HA ASN 53 -7.904 -16.003 -3.388 383 HB2 ASN 53 2HB ASN 53 -6.116 -17.162 -5.293 384 HB3 ASN 53 3HB ASN 53 -5.077 -16.583 -4.000 385 HD21 ASN 53 1HD2 ASN 53 -7.733 -18.727 -4.832 386 HD22 ASN 53 2HD2 ASN 53 -7.588 -19.781 -3.441 387 H ALA 54 HN ALA 54 -5.234 -14.159 -4.906 388 HA ALA 54 HA ALA 54 -4.146 -13.236 -2.381 389 HB1 ALA 54 1HB ALA 54 -3.710 -12.353 -5.284 390 HB2 ALA 54 2HB ALA 54 -2.729 -11.863 -3.895 391 HB3 ALA 54 3HB ALA 54 -2.744 -13.567 -4.409 392 H TRP 55 HN TRP 55 -6.041 -11.738 -5.043 393 HA TRP 55 HA TRP 55 -6.527 -9.251 -4.047 394 HB2 TRP 55 2HB TRP 55 -7.399 -9.930 -6.151 395 HB3 TRP 55 3HB TRP 55 -8.408 -11.180 -5.397 396 HD1 TRP 55 1HD TRP 55 -10.794 -10.509 -5.825 397 HE1 TRP 55 1HE TRP 55 -12.215 -8.370 -5.543 398 HE3 TRP 55 3HE TRP 55 -7.126 -7.235 -4.362 399 HZ2 TRP 55 2HZ TRP 55 -11.804 -5.647 -4.705 400 HZ3 TRP 55 3HZ TRP 55 -7.578 -4.870 -4.322 401 HH2 TRP 55 2HH TRP 55 -9.959 -4.017 -4.367 402 H SER 56 HN SER 56 -8.670 -12.035 -3.323 403 HA SER 56 HA SER 56 -10.308 -10.606 -1.470 404 HB2 SER 56 2HB SER 56 -10.702 -12.847 -2.742 405 HB3 SER 56 3HB SER 56 -9.756 -13.618 -1.467 406 HG SER 56 HG SER 56 -12.322 -12.571 -1.513 407 H VAL 57 HN VAL 57 -7.454 -12.822 -0.794 408 HA VAL 57 HA VAL 57 -7.567 -12.437 1.988 409 HB VAL 57 HB VAL 57 -5.095 -12.731 0.194 410 HG11 VAL 57 1HG1 VAL 57 -4.012 -13.780 2.166 411 HG12 VAL 57 2HG1 VAL 57 -4.412 -12.089 2.479 412 HG13 VAL 57 3HG1 VAL 57 -5.431 -13.370 3.168 413 HG21 VAL 57 1HG2 VAL 57 -5.299 -15.037 0.297 414 HG22 VAL 57 2HG2 VAL 57 -6.329 -15.021 1.749 415 HG23 VAL 57 3HG2 VAL 57 -7.014 -14.610 0.190 416 H MET 58 HN MET 58 -5.806 -10.308 -0.435 417 HA MET 58 HA MET 58 -4.764 -8.734 1.729 418 HB2 MET 58 2HB MET 58 -3.947 -7.219 0.100 419 HB3 MET 58 3HB MET 58 -3.632 -8.846 -0.395 420 HG2 MET 58 2HG MET 58 -5.134 -8.656 -2.252 421 HG3 MET 58 3HG MET 58 -5.924 -7.230 -1.555 422 HE1 MET 58 1HE MET 58 -4.233 -5.194 -4.309 423 HE2 MET 58 2HE MET 58 -5.040 -6.761 -4.522 424 HE3 MET 58 3HE MET 58 -5.712 -5.549 -3.389 425 H TYR 59 HN TYR 59 -7.622 -8.311 -0.377 426 HA TYR 59 HA TYR 59 -8.329 -5.698 0.565 427 HB2 TYR 59 2HB TYR 59 -9.151 -6.632 -1.554 428 HB3 TYR 59 3HB TYR 59 -9.875 -7.994 -0.720 429 HD1 TYR 59 1HD TYR 59 -12.166 -7.909 -1.046 430 HD2 TYR 59 2HD TYR 59 -10.080 -4.270 -0.021 431 HE1 TYR 59 1HE TYR 59 -14.320 -6.742 -0.820 432 HE2 TYR 59 2HE TYR 59 -12.224 -3.080 0.172 433 HH TYR 59 HH TYR 59 -14.542 -3.302 0.194 434 H LYS 60 HN LYS 60 -9.408 -9.013 1.519 435 HA LYS 60 HA LYS 60 -11.180 -8.254 3.573 436 HB2 LYS 60 2HB LYS 60 -9.448 -10.745 3.272 437 HB3 LYS 60 3HB LYS 60 -10.680 -10.500 4.503 438 HG2 LYS 60 2HG LYS 60 -12.326 -10.064 2.519 439 HG3 LYS 60 3HG LYS 60 -11.188 -10.730 1.487 440 HD2 LYS 60 2HD LYS 60 -11.935 -12.296 3.948 441 HD3 LYS 60 3HD LYS 60 -13.009 -12.239 2.534 442 HE2 LYS 60 2HE LYS 60 -10.425 -12.756 1.527 443 HE3 LYS 60 3HE LYS 60 -10.538 -13.725 3.008 444 HZ1 LYS 60 1HZ LYS 60 -12.772 -14.498 2.001 445 HZ2 LYS 60 2HZ LYS 60 -11.398 -15.089 1.380 446 HZ3 LYS 60 3HZ LYS 60 -12.175 -13.864 0.584 447 H LEU 61 HN LEU 61 -7.599 -8.845 3.719 448 HA LEU 61 HA LEU 61 -7.530 -8.321 6.536 449 HB2 LEU 61 2HB LEU 61 -5.445 -8.686 4.400 450 HB3 LEU 61 3HB LEU 61 -4.981 -7.811 5.859 451 HG LEU 61 HG LEU 61 -5.843 -9.646 7.286 452 HD11 LEU 61 1HD1 LEU 61 -5.985 -11.301 4.732 453 HD12 LEU 61 2HD1 LEU 61 -7.409 -10.671 5.572 454 HD13 LEU 61 3HD1 LEU 61 -6.364 -11.814 6.394 455 HD21 LEU 61 1HD2 LEU 61 -3.446 -9.447 6.658 456 HD22 LEU 61 2HD2 LEU 61 -3.746 -10.528 5.277 457 HD23 LEU 61 3HD2 LEU 61 -3.944 -11.126 6.930 458 H SER 62 HN SER 62 -7.072 -6.136 3.725 459 HA SER 62 HA SER 62 -6.347 -3.894 5.399 460 HB2 SER 62 2HB SER 62 -7.331 -4.215 2.587 461 HB3 SER 62 3HB SER 62 -7.279 -2.600 3.290 462 HG SER 62 HG SER 62 -5.047 -2.917 3.759 463 H GLN 63 HN GLN 63 -9.565 -5.096 4.278 464 HA GLN 63 HA GLN 63 -11.149 -3.186 5.663 465 HB2 GLN 63 2HB GLN 63 -11.609 -6.109 5.032 466 HB3 GLN 63 3HB GLN 63 -12.758 -5.167 5.966 467 HG2 GLN 63 2HG GLN 63 -11.951 -3.868 3.424 468 HG3 GLN 63 3HG GLN 63 -12.739 -5.423 3.227 469 HE21 GLN 63 1HE2 GLN 63 -13.239 -2.041 4.213 470 HE22 GLN 63 2HE2 GLN 63 -14.983 -2.241 4.469 471 H ALA 64 HN ALA 64 -9.788 -6.309 6.811 472 HA ALA 64 HA ALA 64 -10.694 -6.322 9.368 473 HB1 ALA 64 1HB ALA 64 -8.827 -7.770 9.964 474 HB2 ALA 64 2HB ALA 64 -9.495 -8.199 8.376 475 HB3 ALA 64 3HB ALA 64 -7.958 -7.321 8.523 476 H LEU 65 HN LEU 65 -7.431 -5.072 8.508 477 HA LEU 65 HA LEU 65 -6.721 -3.809 10.873 478 HB2 LEU 65 2HB LEU 65 -6.072 -3.544 7.922 479 HB3 LEU 65 3HB LEU 65 -5.407 -2.376 9.041 480 HG LEU 65 HG LEU 65 -4.174 -3.985 10.231 481 HD11 LEU 65 1HD1 LEU 65 -5.675 -5.944 10.251 482 HD12 LEU 65 2HD1 LEU 65 -4.012 -6.337 9.830 483 HD13 LEU 65 3HD1 LEU 65 -5.241 -6.267 8.554 484 HD21 LEU 65 1HD2 LEU 65 -2.727 -4.963 8.329 485 HD22 LEU 65 2HD2 LEU 65 -3.071 -3.227 8.184 486 HD23 LEU 65 3HD2 LEU 65 -3.970 -4.401 7.214 487 H SER 66 HN SER 66 -8.566 -2.439 8.099 488 HA SER 66 HA SER 66 -8.513 0.231 9.127 489 HB2 SER 66 2HB SER 66 -10.086 0.777 7.389 490 HB3 SER 66 3HB SER 66 -8.848 -0.301 6.744 491 HG SER 66 HG SER 66 -10.576 -1.993 7.393 492 H ASP 67 HN ASP 67 -10.692 -2.463 9.798 493 HA ASP 67 HA ASP 67 -12.705 -0.807 11.045 494 HB2 ASP 67 2HB ASP 67 -12.770 -3.287 10.198 495 HB3 ASP 67 3HB ASP 67 -12.159 -3.649 11.812 496 H ILE 68 HN ILE 68 -9.511 -1.732 12.102 497 HA ILE 68 HA ILE 68 -10.171 -1.542 14.956 498 HB ILE 68 HB ILE 68 -7.428 -1.880 13.686 499 HG12 ILE 68 2HG1 ILE 68 -8.581 -3.679 12.733 500 HG13 ILE 68 3HG1 ILE 68 -7.633 -4.307 14.036 501 HG21 ILE 68 1HG2 ILE 68 -8.533 -2.653 16.408 502 HG22 ILE 68 2HG2 ILE 68 -6.874 -2.922 15.839 503 HG23 ILE 68 3HG2 ILE 68 -7.474 -1.274 16.064 504 HD11 ILE 68 1HD1 ILE 68 -9.690 -4.470 15.462 505 HD12 ILE 68 2HD1 ILE 68 -10.658 -3.857 14.097 506 HD13 ILE 68 3HD1 ILE 68 -9.819 -5.403 13.957 507 H GLU 69 HN GLU 69 -7.808 -0.029 12.706 508 HA GLU 69 HA GLU 69 -8.414 2.622 13.509 509 HB2 GLU 69 2HB GLU 69 -6.449 3.257 14.717 510 HB3 GLU 69 3HB GLU 69 -7.351 2.027 15.596 511 HG2 GLU 69 2HG GLU 69 -5.806 0.292 14.803 512 HG3 GLU 69 3HG GLU 69 -4.902 1.544 13.927 513 H VAL 70 HN VAL 70 -6.722 0.395 11.518 514 HA VAL 70 HA VAL 70 -5.015 2.523 10.416 515 HB VAL 70 HB VAL 70 -4.607 -0.452 10.065 516 HG11 VAL 70 1HG1 VAL 70 -2.286 0.343 9.597 517 HG12 VAL 70 2HG1 VAL 70 -3.460 0.960 8.432 518 HG13 VAL 70 3HG1 VAL 70 -2.849 2.019 9.725 519 HG21 VAL 70 1HG2 VAL 70 -2.813 -0.232 11.780 520 HG22 VAL 70 2HG2 VAL 70 -3.436 1.378 12.191 521 HG23 VAL 70 3HG2 VAL 70 -4.434 -0.087 12.448 522 HA PRO 71 HA PRO 71 -8.115 1.902 7.028 523 HB2 PRO 71 2HB PRO 71 -8.029 4.428 5.963 524 HB3 PRO 71 3HB PRO 71 -9.018 4.000 7.394 525 HG2 PRO 71 2HG PRO 71 -6.277 5.291 7.313 526 HG3 PRO 71 3HG PRO 71 -7.701 5.777 8.284 527 HD2 PRO 71 2HD PRO 71 -5.690 4.253 9.321 528 HD3 PRO 71 3HD PRO 71 -7.400 4.016 9.789 529 H CYS 72 HN CYS 72 -7.605 1.243 4.963 530 HA CYS 72 HA CYS 72 -5.400 2.500 3.557 531 HB2 CYS 72 2HB CYS 72 -4.389 0.329 4.170 532 HB3 CYS 72 3HB CYS 72 -5.812 -0.537 3.581 533 HG CYS 72 HG CYS 72 -5.473 0.096 1.117 534 H SER 73 HN SER 73 -5.932 2.634 1.490 535 HA SER 73 HA SER 73 -8.747 1.887 0.658 536 HB2 SER 73 2HB SER 73 -6.772 3.835 -0.492 537 HB3 SER 73 3HB SER 73 -7.931 3.042 -1.541 538 HG SER 73 HG SER 73 -8.854 4.940 -0.733 539 H VAL 74 HN VAL 74 -8.988 0.140 -0.563 540 HA VAL 74 HA VAL 74 -6.678 -1.003 -2.036 541 HB VAL 74 HB VAL 74 -9.290 -2.263 -1.110 542 HG11 VAL 74 1HG1 VAL 74 -6.701 -3.597 -2.023 543 HG12 VAL 74 2HG1 VAL 74 -8.232 -4.397 -1.616 544 HG13 VAL 74 3HG1 VAL 74 -8.146 -3.315 -3.012 545 HG21 VAL 74 1HG2 VAL 74 -6.558 -2.372 0.274 546 HG22 VAL 74 2HG2 VAL 74 -8.064 -1.749 0.947 547 HG23 VAL 74 3HG2 VAL 74 -7.905 -3.470 0.627 548 H LEU 75 HN LEU 75 -7.054 -1.189 -4.324 549 HA LEU 75 HA LEU 75 -9.812 -1.084 -5.273 550 HB2 LEU 75 2HB LEU 75 -7.644 0.758 -6.343 551 HB3 LEU 75 3HB LEU 75 -9.149 0.427 -7.189 552 HG LEU 75 HG LEU 75 -8.880 1.845 -4.518 553 HD11 LEU 75 1HD1 LEU 75 -8.076 3.130 -6.487 554 HD12 LEU 75 2HD1 LEU 75 -9.556 3.834 -5.797 555 HD13 LEU 75 3HD1 LEU 75 -9.640 2.875 -7.281 556 HD21 LEU 75 1HD2 LEU 75 -11.058 0.573 -4.710 557 HD22 LEU 75 2HD2 LEU 75 -11.380 1.420 -6.228 558 HD23 LEU 75 3HD2 LEU 75 -11.277 2.311 -4.698 559 H GLU 76 HN GLU 76 -9.769 -1.618 -7.669 560 HA GLU 76 HA GLU 76 -7.843 -3.764 -8.362 561 HB2 GLU 76 2HB GLU 76 -9.932 -5.090 -8.933 562 HB3 GLU 76 3HB GLU 76 -9.555 -4.955 -7.221 563 HG2 GLU 76 2HG GLU 76 -11.280 -3.245 -6.898 564 HG3 GLU 76 3HG GLU 76 -11.588 -3.173 -8.633 565 H CYS 77 HN CYS 77 -7.864 -4.212 -10.554 566 HA CYS 77 HA CYS 77 -9.450 -2.796 -12.425 567 HB2 CYS 77 2HB CYS 77 -7.700 -1.010 -11.774 568 HB3 CYS 77 3HB CYS 77 -6.466 -2.086 -12.457 569 HG CYS 77 HG CYS 77 -7.110 -1.988 -14.847 570 H GLU 78 HN GLU 78 -9.882 -4.963 -12.911 571 HA GLU 78 HA GLU 78 -9.795 -6.806 -14.044 572 HB2 GLU 78 2HB GLU 78 -8.710 -5.119 -15.690 573 HB3 GLU 78 3HB GLU 78 -7.182 -5.933 -15.331 574 HG2 GLU 78 2HG GLU 78 -8.449 -8.112 -15.818 575 HG3 GLU 78 3HG GLU 78 -9.754 -7.120 -16.470 576 H GLY 79 HN GLY 79 -6.366 -6.242 -13.385 577 HA2 GLY 79 2HA GLY 79 -6.029 -8.590 -11.672 578 HA3 GLY 79 1HA GLY 79 -5.389 -8.760 -13.319 579 H GLU 80 HN GLU 80 -5.368 -5.488 -12.039 580 HA GLU 80 HA GLU 80 -2.645 -5.750 -11.001 581 HB2 GLU 80 2HB GLU 80 -2.201 -5.305 -13.330 582 HB3 GLU 80 3HB GLU 80 -3.269 -3.900 -13.330 583 HG2 GLU 80 2HG GLU 80 -1.779 -2.623 -12.002 584 HG3 GLU 80 3HG GLU 80 -1.058 -4.041 -11.257 585 HA PRO 81 HA PRO 81 -5.760 -3.280 -8.693 586 HB2 PRO 81 2HB PRO 81 -5.156 -4.206 -6.165 587 HB3 PRO 81 3HB PRO 81 -6.234 -5.051 -7.310 588 HG2 PRO 81 2HG PRO 81 -3.320 -5.585 -6.746 589 HG3 PRO 81 3HG PRO 81 -4.665 -6.757 -6.913 590 HD2 PRO 81 2HD PRO 81 -2.941 -6.203 -8.952 591 HD3 PRO 81 3HD PRO 81 -4.658 -6.598 -9.240 592 H CYS 82 HN CYS 82 -5.287 -1.941 -6.476 593 HA CYS 82 HA CYS 82 -2.520 -1.155 -6.244 594 HB2 CYS 82 2HB CYS 82 -3.012 1.304 -6.505 595 HB3 CYS 82 3HB CYS 82 -3.016 0.375 -8.000 596 HG CYS 82 HG CYS 82 -5.600 0.078 -8.119 597 H LEU 83 HN LEU 83 -2.131 0.233 -4.371 598 HA LEU 83 HA LEU 83 -4.322 0.128 -2.340 599 HB2 LEU 83 2HB LEU 83 -1.933 -1.531 -2.568 600 HB3 LEU 83 3HB LEU 83 -1.608 -0.327 -1.336 601 HG LEU 83 HG LEU 83 -3.716 -0.994 -0.204 602 HD11 LEU 83 1HD1 LEU 83 -4.889 -2.166 -2.020 603 HD12 LEU 83 2HD1 LEU 83 -4.699 -3.127 -0.551 604 HD13 LEU 83 3HD1 LEU 83 -3.690 -3.475 -1.966 605 HD21 LEU 83 1HD2 LEU 83 -1.457 -1.746 0.529 606 HD22 LEU 83 2HD2 LEU 83 -1.606 -3.173 -0.511 607 HD23 LEU 83 3HD2 LEU 83 -2.687 -2.952 0.869 608 H PHE 84 HN PHE 84 -4.052 1.685 -0.651 609 HA PHE 84 HA PHE 84 -2.034 3.835 -0.995 610 HB2 PHE 84 2HB PHE 84 -4.924 4.561 -0.730 611 HB3 PHE 84 3HB PHE 84 -3.571 5.634 -1.011 612 HD1 PHE 84 1HD PHE 84 -5.636 2.845 -2.533 613 HD2 PHE 84 2HD PHE 84 -2.952 6.122 -3.321 614 HE1 PHE 84 1HE PHE 84 -5.919 2.492 -4.956 615 HE2 PHE 84 2HE PHE 84 -3.299 5.837 -5.723 616 HZ PHE 84 HZ PHE 84 -4.784 4.004 -6.581 617 H VAL 85 HN VAL 85 -1.084 3.182 0.771 618 HA VAL 85 HA VAL 85 -2.602 2.641 3.290 619 HB VAL 85 HB VAL 85 -0.181 2.037 4.048 620 HG11 VAL 85 1HG1 VAL 85 -0.428 -0.281 3.465 621 HG12 VAL 85 2HG1 VAL 85 -2.046 0.370 3.727 622 HG13 VAL 85 3HG1 VAL 85 -1.468 0.109 2.075 623 HG21 VAL 85 1HG2 VAL 85 0.907 2.872 1.956 624 HG22 VAL 85 2HG2 VAL 85 1.326 1.202 2.377 625 HG23 VAL 85 3HG2 VAL 85 0.166 1.514 1.083 626 H ASN 86 HN ASN 86 -1.571 3.924 5.179 627 HA ASN 86 HA ASN 86 -1.751 6.653 4.328 628 HB2 ASN 86 2HB ASN 86 -1.047 5.510 7.053 629 HB3 ASN 86 3HB ASN 86 -1.430 7.210 6.714 630 HD21 ASN 86 1HD2 ASN 86 -2.796 4.342 7.814 631 HD22 ASN 86 2HD2 ASN 86 -4.349 4.412 7.019 632 H ARG 87 HN ARG 87 0.720 5.596 6.423 633 HA ARG 87 HA ARG 87 2.853 6.094 4.442 634 HB2 ARG 87 2HB ARG 87 2.458 8.309 5.605 635 HB3 ARG 87 3HB ARG 87 2.997 7.576 7.106 636 HG2 ARG 87 2HG ARG 87 4.998 8.399 6.494 637 HG3 ARG 87 3HG ARG 87 5.104 6.932 5.501 638 HD2 ARG 87 2HD ARG 87 3.886 8.421 3.699 639 HD3 ARG 87 3HD ARG 87 4.408 9.782 4.676 640 HE ARG 87 HE ARG 87 5.960 8.212 2.842 641 HH11 ARG 87 1HH1 ARG 87 6.442 9.946 5.919 642 HH12 ARG 87 2HH1 ARG 87 8.086 10.350 5.544 643 HH21 ARG 87 1HH2 ARG 87 8.024 8.699 2.405 644 HH22 ARG 87 2HH2 ARG 87 9.065 9.554 3.476 645 H GLN 88 HN GLN 88 2.646 5.794 7.952 646 HA GLN 88 HA GLN 88 4.586 3.731 8.154 647 HB2 GLN 88 2HB GLN 88 3.670 3.443 10.493 648 HB3 GLN 88 3HB GLN 88 4.253 5.031 10.040 649 HG2 GLN 88 2HG GLN 88 1.447 5.112 9.495 650 HG3 GLN 88 3HG GLN 88 1.612 4.230 11.001 651 HE21 GLN 88 1HE2 GLN 88 1.091 7.285 9.883 652 HE22 GLN 88 2HE2 GLN 88 1.932 8.255 11.056 653 H ASP 89 HN ASP 89 1.110 3.478 7.417 654 HA ASP 89 HA ASP 89 0.980 0.713 8.076 655 HB2 ASP 89 2HB ASP 89 -1.033 2.084 7.867 656 HB3 ASP 89 3HB ASP 89 -0.831 2.111 6.122 657 H GLU 90 HN GLU 90 2.675 2.259 5.483 658 HA GLU 90 HA GLU 90 2.641 0.013 3.676 659 HB2 GLU 90 2HB GLU 90 3.460 2.129 2.915 660 HB3 GLU 90 3HB GLU 90 4.624 2.208 4.226 661 HG2 GLU 90 2HG GLU 90 4.817 -0.046 2.234 662 HG3 GLU 90 3HG GLU 90 5.363 1.574 1.775 663 H PHE 91 HN PHE 91 5.308 1.022 5.867 664 HA PHE 91 HA PHE 91 6.548 -1.404 5.676 665 HB2 PHE 91 2HB PHE 91 7.955 -0.701 7.521 666 HB3 PHE 91 3HB PHE 91 7.700 0.525 6.284 667 HD1 PHE 91 1HD PHE 91 6.755 -0.540 9.697 668 HD2 PHE 91 2HD PHE 91 7.334 2.662 6.920 669 HE1 PHE 91 1HE PHE 91 6.463 1.080 11.556 670 HE2 PHE 91 2HE PHE 91 7.064 4.335 8.763 671 HZ PHE 91 HZ PHE 91 6.587 3.562 11.061 672 H ALA 92 HN ALA 92 4.355 -0.304 8.085 673 HA ALA 92 HA ALA 92 4.353 -2.489 9.915 674 HB1 ALA 92 1HB ALA 92 2.091 -0.628 9.140 675 HB2 ALA 92 2HB ALA 92 2.140 -1.633 10.588 676 HB3 ALA 92 3HB ALA 92 3.323 -0.311 10.382 677 H ALA 93 HN ALA 93 1.957 -1.902 7.163 678 HA ALA 93 HA ALA 93 0.703 -4.363 7.465 679 HB1 ALA 93 1HB ALA 93 0.956 -2.789 4.908 680 HB2 ALA 93 2HB ALA 93 -0.182 -4.100 5.253 681 HB3 ALA 93 3HB ALA 93 -0.286 -2.590 6.172 682 H THR 94 HN THR 94 3.662 -3.576 5.433 683 HA THR 94 HA THR 94 3.720 -6.232 4.329 684 HB THR 94 HB THR 94 4.924 -4.651 3.110 685 HG1 THR 94 1HG THR 94 6.769 -5.792 2.810 686 HG21 THR 94 1HG2 THR 94 6.734 -4.093 5.458 687 HG22 THR 94 2HG2 THR 94 5.675 -2.951 4.573 688 HG23 THR 94 3HG2 THR 94 7.060 -3.619 3.774 689 H CYS 95 HN CYS 95 5.119 -4.898 7.332 690 HA CYS 95 HA CYS 95 6.575 -7.152 8.104 691 HB2 CYS 95 2HB CYS 95 6.365 -4.791 9.240 692 HB3 CYS 95 3HB CYS 95 5.022 -5.492 10.127 693 HG CYS 95 HG CYS 95 6.299 -7.476 11.155 694 H ARG 96 HN ARG 96 3.154 -6.319 8.926 695 HA ARG 96 HA ARG 96 2.694 -8.834 10.295 696 HB2 ARG 96 2HB ARG 96 0.190 -8.147 9.940 697 HB3 ARG 96 3HB ARG 96 1.230 -7.446 11.187 698 HG2 ARG 96 2HG ARG 96 1.499 -5.433 9.918 699 HG3 ARG 96 3HG ARG 96 0.741 -6.204 8.489 700 HD2 ARG 96 2HD ARG 96 -0.959 -4.938 9.340 701 HD3 ARG 96 3HD ARG 96 -1.291 -6.543 10.043 702 HE ARG 96 HE ARG 96 -0.287 -4.061 11.330 703 HH11 ARG 96 1HH1 ARG 96 -1.298 -7.462 12.013 704 HH12 ARG 96 2HH1 ARG 96 -1.814 -7.012 13.615 705 HH21 ARG 96 1HH2 ARG 96 -0.632 -3.714 13.421 706 HH22 ARG 96 2HH2 ARG 96 -1.378 -4.852 14.490 707 H LEU 97 HN LEU 97 1.958 -7.808 6.904 708 HA LEU 97 HA LEU 97 0.323 -10.095 6.400 709 HB2 LEU 97 2HB LEU 97 1.686 -8.021 4.706 710 HB3 LEU 97 3HB LEU 97 1.086 -9.455 3.918 711 HG LEU 97 HG LEU 97 -0.441 -7.391 4.007 712 HD11 LEU 97 1HD1 LEU 97 -2.457 -8.832 4.145 713 HD12 LEU 97 2HD1 LEU 97 -1.441 -10.150 4.792 714 HD13 LEU 97 3HD1 LEU 97 -1.166 -9.506 3.157 715 HD21 LEU 97 1HD2 LEU 97 -0.370 -6.873 6.416 716 HD22 LEU 97 2HD2 LEU 97 -1.149 -8.430 6.786 717 HD23 LEU 97 3HD2 LEU 97 -2.004 -7.187 5.851 718 H LYS 98 HN LYS 98 3.846 -9.805 6.429 719 HA LYS 98 HA LYS 98 4.364 -12.251 5.052 720 HB2 LYS 98 2HB LYS 98 5.847 -10.715 7.200 721 HB3 LYS 98 3HB LYS 98 6.489 -12.237 6.545 722 HG2 LYS 98 2HG LYS 98 6.771 -11.403 4.390 723 HG3 LYS 98 3HG LYS 98 5.532 -10.156 4.595 724 HD2 LYS 98 2HD LYS 98 7.038 -9.021 6.250 725 HD3 LYS 98 3HD LYS 98 8.324 -10.149 5.735 726 HE2 LYS 98 2HE LYS 98 7.796 -9.485 3.325 727 HE3 LYS 98 3HE LYS 98 6.687 -8.269 3.962 728 HZ1 LYS 98 1HZ LYS 98 8.611 -7.268 5.071 729 HZ2 LYS 98 2HZ LYS 98 8.744 -7.291 3.413 730 HZ3 LYS 98 3HZ LYS 98 9.603 -8.366 4.347 731 H ASN 99 HN ASN 99 3.074 -11.728 8.194 732 HA ASN 99 HA ASN 99 3.411 -14.509 9.085 733 HB2 ASN 99 2HB ASN 99 2.143 -12.113 10.236 734 HB3 ASN 99 3HB ASN 99 1.136 -13.531 10.406 735 HD21 ASN 99 1HD2 ASN 99 4.531 -12.382 10.901 736 HD22 ASN 99 2HD2 ASN 99 4.846 -13.472 12.224 737 H PHE 100 HN PHE 100 1.387 -13.111 6.669 738 HA PHE 100 HA PHE 100 -0.427 -15.462 6.663 739 HB2 PHE 100 2HB PHE 100 -0.650 -12.628 5.709 740 HB3 PHE 100 3HB PHE 100 -1.314 -13.845 4.657 741 HD1 PHE 100 1HD PHE 100 -1.352 -13.157 8.389 742 HD2 PHE 100 2HD PHE 100 -3.588 -14.196 4.842 743 HE1 PHE 100 1HE PHE 100 -3.456 -13.098 9.677 744 HE2 PHE 100 2HE PHE 100 -5.690 -14.118 6.153 745 HZ PHE 100 HZ PHE 100 -5.636 -13.525 8.565 746 H GLY 101 HN GLY 101 2.419 -14.191 5.120 747 HA2 GLY 101 2HA GLY 101 3.808 -15.486 3.789 748 HA3 GLY 101 1HA GLY 101 2.481 -16.613 3.489 749 H VAL 102 HN VAL 102 0.936 -13.896 2.676 750 HA VAL 102 HA VAL 102 1.489 -14.109 -0.167 751 HB VAL 102 HB VAL 102 0.002 -12.132 -0.354 752 HG11 VAL 102 1HG1 VAL 102 -2.042 -13.281 0.331 753 HG12 VAL 102 2HG1 VAL 102 -0.887 -14.438 -0.349 754 HG13 VAL 102 3HG1 VAL 102 -1.120 -14.351 1.412 755 HG21 VAL 102 1HG2 VAL 102 0.472 -10.968 1.773 756 HG22 VAL 102 2HG2 VAL 102 -1.252 -11.297 1.579 757 HG23 VAL 102 3HG2 VAL 102 -0.285 -12.293 2.690 758 H ALA 103 HN ALA 103 2.693 -12.631 -1.452 759 HA ALA 103 HA ALA 103 4.849 -11.246 -0.026 760 HB1 ALA 103 1HB ALA 103 5.642 -10.601 -2.269 761 HB2 ALA 103 2HB ALA 103 5.338 -12.351 -2.147 762 HB3 ALA 103 3HB ALA 103 4.184 -11.278 -2.998 763 H ILE 104 HN ILE 104 5.297 -8.965 -0.506 764 HA ILE 104 HA ILE 104 2.959 -7.256 -0.908 765 HB ILE 104 HB ILE 104 4.932 -6.924 1.398 766 HG12 ILE 104 2HG1 ILE 104 2.550 -7.379 2.685 767 HG13 ILE 104 3HG1 ILE 104 2.333 -8.444 1.328 768 HG21 ILE 104 1HG2 ILE 104 2.442 -5.422 0.579 769 HG22 ILE 104 2HG2 ILE 104 3.025 -5.359 2.227 770 HG23 ILE 104 3HG2 ILE 104 4.063 -4.780 0.947 771 HD11 ILE 104 1HD1 ILE 104 3.359 -9.619 3.224 772 HD12 ILE 104 2HD1 ILE 104 4.571 -9.522 1.941 773 HD13 ILE 104 3HD1 ILE 104 4.649 -8.408 3.316 774 H ALA 105 HN ALA 105 4.126 -4.893 -0.848 775 HA ALA 105 HA ALA 105 5.836 -4.609 -3.072 776 HB1 ALA 105 1HB ALA 105 4.220 -2.910 -2.198 777 HB2 ALA 105 2HB ALA 105 5.289 -2.659 -0.792 778 HB3 ALA 105 3HB ALA 105 5.841 -2.250 -2.428 779 H GLU 106 HN GLU 106 7.853 -2.849 -2.437 780 HA GLU 106 HA GLU 106 10.015 -4.470 -1.533 781 HB2 GLU 106 2HB GLU 106 9.714 -1.440 -1.648 782 HB3 GLU 106 3HB GLU 106 11.232 -2.270 -1.361 783 HG2 GLU 106 2HG GLU 106 9.552 -2.510 -3.906 784 HG3 GLU 106 3HG GLU 106 10.962 -1.473 -3.690 785 HA PRO 107 HA PRO 107 9.308 -4.082 2.872 786 HB2 PRO 107 2HB PRO 107 11.751 -4.747 3.899 787 HB3 PRO 107 3HB PRO 107 10.738 -5.942 3.026 788 HG2 PRO 107 2HG PRO 107 13.046 -4.281 1.957 789 HG3 PRO 107 3HG PRO 107 12.775 -6.045 1.789 790 HD2 PRO 107 2HD PRO 107 12.066 -4.249 -0.158 791 HD3 PRO 107 3HD PRO 107 11.094 -5.720 0.164 792 H PHE 108 HN PHE 108 9.932 -2.771 4.838 793 HA PHE 108 HA PHE 108 11.165 -0.289 4.526 794 HB2 PHE 108 2HB PHE 108 11.013 -0.236 6.967 795 HB3 PHE 108 3HB PHE 108 9.563 -0.546 6.050 796 HD1 PHE 108 1HD PHE 108 12.096 -2.053 8.175 797 HD2 PHE 108 2HD PHE 108 8.300 -2.613 6.331 798 HE1 PHE 108 1HE PHE 108 11.685 -4.025 9.689 799 HE2 PHE 108 2HE PHE 108 7.863 -4.582 7.756 800 HZ PHE 108 HZ PHE 108 9.531 -5.275 9.488 801 H SER 109 HN SER 109 12.884 -1.792 3.385 802 HA SER 109 HA SER 109 15.419 -2.319 4.677 803 HB2 SER 109 2HB SER 109 14.388 -1.756 1.911 804 HB3 SER 109 3HB SER 109 16.071 -1.312 2.205 805 HG SER 109 HG SER 109 15.756 -3.527 1.523 806 H ASN 110 HN ASN 110 17.298 -0.835 4.300 807 HA ASN 110 HA ASN 110 17.280 1.226 5.988 808 HB2 ASN 110 2HB ASN 110 19.389 1.940 5.202 809 HB3 ASN 110 3HB ASN 110 19.329 0.201 5.007 810 HD21 ASN 110 1HD2 ASN 110 18.282 -0.309 2.588 811 HD22 ASN 110 2HD2 ASN 110 18.968 0.706 1.315 812 H TYR 111 HN TYR 111 16.172 2.907 6.166 813 HA TYR 111 HA TYR 111 14.731 4.559 5.877 814 HB2 TYR 111 2HB TYR 111 15.688 6.565 4.750 815 HB3 TYR 111 3HB TYR 111 16.659 5.816 5.987 816 HD1 TYR 111 1HD TYR 111 16.279 5.784 2.196 817 HD2 TYR 111 2HD TYR 111 18.888 5.276 5.596 818 HE1 TYR 111 1HE TYR 111 18.224 5.719 0.696 819 HE2 TYR 111 2HE TYR 111 20.850 5.186 4.093 820 HH TYR 111 HH TYR 111 20.598 5.196 0.600 821 H ASN 112 HN ASN 112 14.307 2.426 3.975 822 HA ASN 112 HA ASN 112 12.850 1.809 2.434 823 HB2 ASN 112 2HB ASN 112 11.483 4.465 2.488 824 HB3 ASN 112 3HB ASN 112 10.817 2.849 2.184 825 HD21 ASN 112 1HD2 ASN 112 10.889 5.215 4.479 826 HD22 ASN 112 2HD2 ASN 112 10.861 4.257 5.962 827 HA PRO 113 HA PRO 113 15.773 3.869 -0.397 828 HB2 PRO 113 2HB PRO 113 16.674 1.686 -1.739 829 HB3 PRO 113 3HB PRO 113 17.112 2.046 -0.034 830 HG2 PRO 113 2HG PRO 113 14.945 0.181 -1.061 831 HG3 PRO 113 3HG PRO 113 16.236 -0.180 0.139 832 HD2 PRO 113 2HD PRO 113 13.745 0.571 0.900 833 HD3 PRO 113 3HD PRO 113 15.183 1.148 1.787 834 H PHE 114 HN PHE 114 12.985 2.329 -1.274 835 HA PHE 114 HA PHE 114 13.155 1.665 -3.991 836 HB2 PHE 114 2HB PHE 114 10.733 1.517 -3.931 837 HB3 PHE 114 3HB PHE 114 11.371 0.940 -2.405 838 HD1 PHE 114 1HD PHE 114 9.187 3.286 -4.025 839 HD2 PHE 114 2HD PHE 114 11.409 2.615 -0.405 840 HE1 PHE 114 1HE PHE 114 7.888 5.088 -2.899 841 HE2 PHE 114 2HE PHE 114 10.083 4.412 0.721 842 HZ PHE 114 HZ PHE 114 8.371 5.643 -0.497 Start of MODEL 6 1 H THR 2 HN THR 2 8.796 -21.400 -0.921 2 HA THR 2 HA THR 2 7.544 -20.025 0.249 3 HB THR 2 HB THR 2 8.232 -21.465 2.791 4 HG1 THR 2 1HG THR 2 7.235 -23.346 1.997 5 HG21 THR 2 1HG2 THR 2 5.759 -21.702 2.875 6 HG22 THR 2 2HG2 THR 2 5.624 -20.956 1.270 7 HG23 THR 2 3HG2 THR 2 6.221 -20.007 2.651 8 H SER 3 HN SER 3 10.227 -18.950 -0.091 9 HA SER 3 HA SER 3 10.946 -17.505 2.324 10 HB2 SER 3 2HB SER 3 11.656 -16.705 -0.495 11 HB3 SER 3 3HB SER 3 12.612 -16.568 0.991 12 HG SER 3 HG SER 3 12.691 -18.944 0.942 13 H LEU 4 HN LEU 4 10.348 -15.337 2.802 14 HA LEU 4 HA LEU 4 8.027 -14.343 1.239 15 HB2 LEU 4 2HB LEU 4 8.356 -14.165 4.248 16 HB3 LEU 4 3HB LEU 4 6.888 -13.894 3.326 17 HG LEU 4 HG LEU 4 8.260 -16.594 3.702 18 HD11 LEU 4 1HD1 LEU 4 7.405 -15.802 5.809 19 HD12 LEU 4 2HD1 LEU 4 6.348 -17.084 5.208 20 HD13 LEU 4 3HD1 LEU 4 5.846 -15.387 5.096 21 HD21 LEU 4 1HD2 LEU 4 6.994 -16.629 1.632 22 HD22 LEU 4 2HD2 LEU 4 5.618 -15.824 2.384 23 HD23 LEU 4 3HD2 LEU 4 6.053 -17.488 2.848 24 H GLN 5 HN GLN 5 10.970 -13.421 1.476 25 HA GLN 5 HA GLN 5 10.708 -10.691 2.637 26 HB2 GLN 5 2HB GLN 5 12.733 -12.437 2.799 27 HB3 GLN 5 3HB GLN 5 13.157 -11.781 1.236 28 HG2 GLN 5 2HG GLN 5 13.362 -9.532 2.256 29 HG3 GLN 5 3HG GLN 5 12.824 -10.189 3.809 30 HE21 GLN 5 1HE2 GLN 5 15.555 -9.323 2.160 31 HE22 GLN 5 2HE2 GLN 5 16.699 -10.319 3.028 32 H LEU 6 HN LEU 6 9.162 -11.506 0.191 33 HA LEU 6 HA LEU 6 10.469 -10.978 -2.110 34 HB2 LEU 6 2HB LEU 6 8.082 -12.075 -1.161 35 HB3 LEU 6 3HB LEU 6 7.490 -10.692 -1.998 36 HG LEU 6 HG LEU 6 7.447 -12.495 -3.485 37 HD11 LEU 6 1HD1 LEU 6 9.996 -11.014 -4.281 38 HD12 LEU 6 2HD1 LEU 6 8.351 -10.404 -4.483 39 HD13 LEU 6 3HD1 LEU 6 8.858 -11.872 -5.337 40 HD21 LEU 6 1HD2 LEU 6 10.359 -13.130 -2.896 41 HD22 LEU 6 2HD2 LEU 6 9.243 -14.011 -3.969 42 HD23 LEU 6 3HD2 LEU 6 8.951 -13.989 -2.228 43 H SER 7 HN SER 7 11.468 -8.936 -1.405 44 HA SER 7 HA SER 7 9.888 -6.507 -1.411 45 HB2 SER 7 2HB SER 7 12.426 -5.589 -1.319 46 HB3 SER 7 3HB SER 7 11.568 -6.218 0.077 47 HG SER 7 HG SER 7 12.589 -8.247 -0.253 48 H ILE 8 HN ILE 8 9.548 -5.051 -3.032 49 HA ILE 8 HA ILE 8 11.305 -5.128 -5.407 50 HB ILE 8 HB ILE 8 8.293 -4.841 -5.472 51 HG12 ILE 8 2HG1 ILE 8 8.732 -7.022 -7.088 52 HG13 ILE 8 3HG1 ILE 8 9.971 -7.300 -5.881 53 HG21 ILE 8 1HG2 ILE 8 10.462 -4.574 -7.535 54 HG22 ILE 8 2HG2 ILE 8 8.824 -5.019 -8.024 55 HG23 ILE 8 3HG2 ILE 8 9.084 -3.515 -7.130 56 HD11 ILE 8 1HD1 ILE 8 6.965 -6.916 -5.356 57 HD12 ILE 8 2HD1 ILE 8 7.858 -8.428 -5.293 58 HD13 ILE 8 3HD1 ILE 8 8.179 -7.159 -4.103 59 H VAL 9 HN VAL 9 12.177 -3.164 -5.575 60 HA VAL 9 HA VAL 9 10.648 -0.804 -4.621 61 HB VAL 9 HB VAL 9 12.956 0.265 -4.473 62 HG11 VAL 9 1HG1 VAL 9 11.931 -0.416 -2.427 63 HG12 VAL 9 2HG1 VAL 9 12.342 -2.136 -2.684 64 HG13 VAL 9 3HG1 VAL 9 13.602 -0.944 -2.343 65 HG21 VAL 9 1HG2 VAL 9 14.048 -2.589 -4.591 66 HG22 VAL 9 2HG2 VAL 9 14.179 -1.427 -5.914 67 HG23 VAL 9 3HG2 VAL 9 14.953 -1.069 -4.378 68 H HIS 10 HN HIS 10 10.590 1.015 -6.058 69 HA HIS 10 HA HIS 10 11.989 0.854 -8.608 70 HB2 HIS 10 2HB HIS 10 8.954 0.772 -8.507 71 HB3 HIS 10 3HB HIS 10 9.825 1.465 -9.873 72 HD1 HIS 10 1HD HIS 10 8.164 -1.565 -9.352 73 HD2 HIS 10 2HD HIS 10 12.067 -0.522 -10.557 74 HE1 HIS 10 1HE HIS 10 9.078 -3.554 -10.655 75 H ARG 11 HN ARG 11 9.146 2.846 -7.616 76 HA ARG 11 HA ARG 11 10.966 5.232 -7.745 77 HB2 ARG 11 2HB ARG 11 8.310 4.871 -9.184 78 HB3 ARG 11 3HB ARG 11 9.206 6.392 -9.058 79 HG2 ARG 11 2HG ARG 11 11.189 5.263 -10.105 80 HG3 ARG 11 3HG ARG 11 10.162 3.847 -10.424 81 HD2 ARG 11 2HD ARG 11 8.734 5.133 -11.893 82 HD3 ARG 11 3HD ARG 11 9.536 6.644 -11.412 83 HE ARG 11 HE ARG 11 11.605 5.112 -12.314 84 HH11 ARG 11 1HH1 ARG 11 8.615 6.244 -13.855 85 HH12 ARG 11 2HH1 ARG 11 9.327 6.323 -15.442 86 HH21 ARG 11 1HH2 ARG 11 12.521 5.281 -14.255 87 HH22 ARG 11 2HH2 ARG 11 11.650 5.731 -15.704 88 H LEU 12 HN LEU 12 8.303 3.798 -6.069 89 HA LEU 12 HA LEU 12 7.294 4.303 -4.176 90 HB2 LEU 12 2HB LEU 12 9.123 6.706 -3.838 91 HB3 LEU 12 3HB LEU 12 8.236 5.872 -2.589 92 HG LEU 12 HG LEU 12 10.585 4.734 -4.166 93 HD11 LEU 12 1HD1 LEU 12 10.328 5.582 -1.256 94 HD12 LEU 12 2HD1 LEU 12 11.248 6.414 -2.531 95 HD13 LEU 12 3HD1 LEU 12 11.743 4.806 -1.995 96 HD21 LEU 12 1HD2 LEU 12 10.462 2.833 -2.566 97 HD22 LEU 12 2HD2 LEU 12 9.042 2.907 -3.614 98 HD23 LEU 12 3HD2 LEU 12 8.933 3.473 -1.939 99 HA PRO 13 HA PRO 13 4.347 7.603 -5.061 100 HB2 PRO 13 2HB PRO 13 2.960 7.786 -2.724 101 HB3 PRO 13 3HB PRO 13 2.872 6.335 -3.769 102 HG2 PRO 13 2HG PRO 13 4.638 6.759 -1.326 103 HG3 PRO 13 3HG PRO 13 3.555 5.370 -1.681 104 HD2 PRO 13 2HD PRO 13 6.205 5.291 -2.238 105 HD3 PRO 13 3HD PRO 13 4.999 4.514 -3.300 106 H GLN 14 HN GLN 14 3.616 9.713 -4.001 107 HA GLN 14 HA GLN 14 5.726 11.152 -2.444 108 HB2 GLN 14 2HB GLN 14 4.080 11.863 -4.847 109 HB3 GLN 14 3HB GLN 14 4.089 13.052 -3.562 110 HG2 GLN 14 2HG GLN 14 5.843 13.758 -4.869 111 HG3 GLN 14 3HG GLN 14 6.657 12.899 -3.577 112 HE21 GLN 14 1HE2 GLN 14 7.226 10.404 -4.187 113 HE22 GLN 14 2HE2 GLN 14 7.750 10.240 -5.848 114 H ASN 15 HN ASN 15 4.484 13.036 -1.351 115 HA ASN 15 HA ASN 15 2.318 12.113 0.380 116 HB2 ASN 15 2HB ASN 15 3.615 14.763 -0.304 117 HB3 ASN 15 3HB ASN 15 2.305 14.611 0.876 118 HD21 ASN 15 1HD2 ASN 15 3.771 11.877 1.845 119 HD22 ASN 15 2HD2 ASN 15 5.039 12.581 2.810 120 H TYR 16 HN TYR 16 0.169 12.250 -0.127 121 HA TYR 16 HA TYR 16 -0.865 14.290 -1.864 122 HB2 TYR 16 2HB TYR 16 -2.031 12.870 -3.420 123 HB3 TYR 16 3HB TYR 16 -0.321 12.592 -3.552 124 HD1 TYR 16 1HD TYR 16 0.613 10.448 -2.389 125 HD2 TYR 16 2HD TYR 16 -3.558 11.215 -3.088 126 HE1 TYR 16 1HE TYR 16 0.163 8.147 -1.843 127 HE2 TYR 16 2HE TYR 16 -4.087 8.863 -2.426 128 HH TYR 16 HH TYR 16 -1.779 6.586 -1.088 129 H ARG 17 HN ARG 17 -3.507 13.437 -1.996 130 HA ARG 17 HA ARG 17 -4.357 12.613 0.697 131 HB2 ARG 17 2HB ARG 17 -5.640 14.857 0.781 132 HB3 ARG 17 3HB ARG 17 -3.969 14.821 1.243 133 HG2 ARG 17 2HG ARG 17 -3.300 15.822 -0.918 134 HG3 ARG 17 3HG ARG 17 -4.988 15.741 -1.466 135 HD2 ARG 17 2HD ARG 17 -4.409 17.956 -0.685 136 HD3 ARG 17 3HD ARG 17 -5.666 17.233 0.342 137 HE ARG 17 HE ARG 17 -3.398 16.635 1.709 138 HH11 ARG 17 1HH1 ARG 17 -4.743 19.680 0.476 139 HH12 ARG 17 2HH1 ARG 17 -4.015 20.668 1.690 140 HH21 ARG 17 1HH2 ARG 17 -2.683 17.910 3.523 141 HH22 ARG 17 2HH2 ARG 17 -2.755 19.641 3.392 142 H TRP 18 HN TRP 18 -6.909 13.188 0.723 143 HA TRP 18 HA TRP 18 -8.134 12.019 -1.693 144 HB2 TRP 18 2HB TRP 18 -9.585 13.413 0.550 145 HB3 TRP 18 3HB TRP 18 -10.189 12.168 -0.522 146 HD1 TRP 18 1HD TRP 18 -9.402 12.619 2.910 147 HE1 TRP 18 1HE TRP 18 -8.614 10.541 4.135 148 HE3 TRP 18 3HE TRP 18 -8.404 9.611 -1.124 149 HZ2 TRP 18 2HZ TRP 18 -7.453 7.999 3.492 150 HZ3 TRP 18 3HZ TRP 18 -7.319 7.428 -0.780 151 HH2 TRP 18 2HH TRP 18 -6.839 6.588 1.522 152 H SER 19 HN SER 19 -9.843 13.434 -2.817 153 HA SER 19 HA SER 19 -8.896 16.229 -2.963 154 HB2 SER 19 2HB SER 19 -9.412 14.525 -4.939 155 HB3 SER 19 3HB SER 19 -11.036 15.153 -4.745 156 HG SER 19 HG SER 19 -9.266 17.210 -4.767 157 H ALA 20 HN ALA 20 -10.479 15.274 -0.630 158 HA ALA 20 HA ALA 20 -12.281 15.737 0.643 159 HB1 ALA 20 1HB ALA 20 -12.133 18.408 -0.774 160 HB2 ALA 20 2HB ALA 20 -12.803 18.090 0.837 161 HB3 ALA 20 3HB ALA 20 -11.067 17.893 0.544 162 H GLY 21 HN GLY 21 -12.985 14.791 -2.268 163 HA2 GLY 21 2HA GLY 21 -15.830 15.662 -2.347 164 HA3 GLY 21 1HA GLY 21 -14.895 14.964 -3.682 165 H PHE 22 HN PHE 22 -13.853 12.778 -3.119 166 HA PHE 22 HA PHE 22 -16.029 11.058 -2.151 167 HB2 PHE 22 2HB PHE 22 -14.426 10.365 -4.600 168 HB3 PHE 22 3HB PHE 22 -15.986 9.845 -4.184 169 HD1 PHE 22 1HD PHE 22 -13.853 12.581 -5.536 170 HD2 PHE 22 2HD PHE 22 -17.939 11.435 -4.742 171 HE1 PHE 22 1HE PHE 22 -14.619 14.651 -6.602 172 HE2 PHE 22 2HE PHE 22 -18.717 13.485 -5.903 173 HZ PHE 22 HZ PHE 22 -17.073 15.122 -6.792 174 H ALA 23 HN ALA 23 -14.477 11.227 -0.285 175 HA ALA 23 HA ALA 23 -11.808 10.528 -0.172 176 HB1 ALA 23 1HB ALA 23 -13.226 11.582 1.574 177 HB2 ALA 23 2HB ALA 23 -13.872 9.974 1.972 178 HB3 ALA 23 3HB ALA 23 -12.134 10.311 2.193 179 H GLY 24 HN GLY 24 -14.312 8.175 -0.780 180 HA2 GLY 24 2HA GLY 24 -12.577 5.908 0.027 181 HA3 GLY 24 1HA GLY 24 -14.262 5.827 -0.459 182 H SER 25 HN SER 25 -13.378 7.786 -2.872 183 HA SER 25 HA SER 25 -11.598 6.125 -4.416 184 HB2 SER 25 2HB SER 25 -14.576 6.205 -4.947 185 HB3 SER 25 3HB SER 25 -13.448 5.986 -6.266 186 HG SER 25 HG SER 25 -13.217 4.425 -3.922 187 H LYS 26 HN LYS 26 -10.787 8.358 -3.789 188 HA LYS 26 HA LYS 26 -10.672 9.895 -6.207 189 HB2 LYS 26 2HB LYS 26 -12.644 10.948 -5.394 190 HB3 LYS 26 3HB LYS 26 -11.867 11.379 -3.867 191 HG2 LYS 26 2HG LYS 26 -11.826 13.297 -5.246 192 HG3 LYS 26 3HG LYS 26 -10.190 12.658 -5.239 193 HD2 LYS 26 2HD LYS 26 -11.273 11.472 -7.530 194 HD3 LYS 26 3HD LYS 26 -12.112 13.047 -7.458 195 HE2 LYS 26 2HE LYS 26 -9.764 14.043 -7.016 196 HE3 LYS 26 3HE LYS 26 -9.115 12.479 -7.465 197 HZ1 LYS 26 1HZ LYS 26 -9.997 12.690 -9.655 198 HZ2 LYS 26 2HZ LYS 26 -9.145 14.045 -9.307 199 HZ3 LYS 26 3HZ LYS 26 -10.768 14.122 -9.295 200 H VAL 27 HN VAL 27 -8.519 10.454 -6.261 201 HA VAL 27 HA VAL 27 -7.300 11.421 -3.755 202 HB VAL 27 HB VAL 27 -5.157 10.279 -4.446 203 HG11 VAL 27 1HG1 VAL 27 -7.519 8.451 -3.838 204 HG12 VAL 27 2HG1 VAL 27 -5.820 8.037 -3.602 205 HG13 VAL 27 3HG1 VAL 27 -6.547 9.356 -2.656 206 HG21 VAL 27 1HG2 VAL 27 -5.746 9.830 -6.838 207 HG22 VAL 27 2HG2 VAL 27 -5.182 8.394 -5.975 208 HG23 VAL 27 3HG2 VAL 27 -6.910 8.600 -6.297 209 H GLU 28 HN GLU 28 -5.640 12.993 -3.941 210 HA GLU 28 HA GLU 28 -5.233 14.088 -6.612 211 HB2 GLU 28 2HB GLU 28 -7.380 14.986 -5.692 212 HB3 GLU 28 3HB GLU 28 -6.510 15.734 -4.367 213 HG2 GLU 28 2HG GLU 28 -5.783 16.374 -7.254 214 HG3 GLU 28 3HG GLU 28 -7.265 17.017 -6.585 215 HA PRO 29 HA PRO 29 -1.303 14.407 -4.617 216 HB2 PRO 29 2HB PRO 29 -0.041 16.309 -6.252 217 HB3 PRO 29 3HB PRO 29 -0.250 14.557 -6.571 218 HG2 PRO 29 2HG PRO 29 -1.932 16.877 -7.491 219 HG3 PRO 29 3HG PRO 29 -1.342 15.470 -8.443 220 HD2 PRO 29 2HD PRO 29 -3.852 15.519 -7.504 221 HD3 PRO 29 3HD PRO 29 -2.909 13.998 -7.361 222 H ILE 30 HN ILE 30 0.467 16.369 -4.197 223 HA ILE 30 HA ILE 30 -1.001 18.491 -2.719 224 HB ILE 30 HB ILE 30 1.811 17.513 -2.226 225 HG12 ILE 30 2HG1 ILE 30 -0.835 17.341 -0.703 226 HG13 ILE 30 3HG1 ILE 30 0.219 16.036 -1.245 227 HG21 ILE 30 1HG2 ILE 30 1.676 19.981 -2.082 228 HG22 ILE 30 2HG2 ILE 30 0.143 19.882 -1.191 229 HG23 ILE 30 3HG2 ILE 30 1.676 19.370 -0.439 230 HD11 ILE 30 1HD1 ILE 30 1.992 16.938 0.345 231 HD12 ILE 30 2HD1 ILE 30 0.695 17.958 1.022 232 HD13 ILE 30 3HD1 ILE 30 0.552 16.204 1.085 233 HA PRO 31 HA PRO 31 0.724 20.930 -6.128 234 HB2 PRO 31 2HB PRO 31 -1.390 22.598 -6.420 235 HB3 PRO 31 3HB PRO 31 -1.316 21.012 -7.251 236 HG2 PRO 31 2HG PRO 31 -2.793 21.750 -4.732 237 HG3 PRO 31 3HG PRO 31 -3.354 20.722 -6.090 238 HD2 PRO 31 2HD PRO 31 -2.263 19.785 -3.699 239 HD3 PRO 31 3HD PRO 31 -2.217 18.865 -5.228 240 H GLN 32 HN GLN 32 2.158 21.395 -4.417 241 HA GLN 32 HA GLN 32 3.311 23.008 -3.310 242 HB2 GLN 32 2HB GLN 32 2.475 23.766 -5.584 243 HB3 GLN 32 3HB GLN 32 1.214 24.686 -4.769 244 HG2 GLN 32 2HG GLN 32 2.850 26.170 -3.810 245 HG3 GLN 32 3HG GLN 32 4.189 25.168 -4.413 246 HE21 GLN 32 1HE2 GLN 32 1.434 27.256 -5.374 247 HE22 GLN 32 2HE2 GLN 32 1.892 27.466 -7.042 248 H ASN 33 HN ASN 33 0.505 22.324 -2.025 249 HA ASN 33 HA ASN 33 -0.276 24.508 -0.509 250 HB2 ASN 33 2HB ASN 33 -0.527 21.577 0.299 251 HB3 ASN 33 3HB ASN 33 -1.364 22.920 1.062 252 HD21 ASN 33 1HD2 ASN 33 -1.849 20.528 -1.271 253 HD22 ASN 33 2HD2 ASN 33 -2.976 21.409 -2.278 254 H GLY 34 HN GLY 34 2.284 22.137 0.330 255 HA2 GLY 34 2HA GLY 34 4.048 23.223 1.836 256 HA3 GLY 34 1HA GLY 34 2.696 23.580 2.919 257 HA PRO 35 HA PRO 35 4.321 19.431 4.228 258 HB2 PRO 35 2HB PRO 35 4.940 20.049 6.798 259 HB3 PRO 35 3HB PRO 35 6.058 20.407 5.442 260 HG2 PRO 35 2HG PRO 35 4.090 22.285 6.766 261 HG3 PRO 35 3HG PRO 35 5.836 22.559 6.445 262 HD2 PRO 35 2HD PRO 35 3.863 23.448 4.768 263 HD3 PRO 35 3HD PRO 35 5.446 22.904 4.147 264 H CYS 36 HN CYS 36 3.439 18.437 6.453 265 HA CYS 36 HA CYS 36 1.089 19.594 7.513 266 HB2 CYS 36 2HB CYS 36 0.180 18.421 5.394 267 HB3 CYS 36 3HB CYS 36 0.481 16.895 6.234 268 HG CYS 36 HG CYS 36 -2.118 17.796 6.324 269 H GLY 37 HN GLY 37 3.363 16.871 7.306 270 HA2 GLY 37 2HA GLY 37 4.681 16.366 9.242 271 HA3 GLY 37 1HA GLY 37 3.311 16.786 10.281 272 H ASP 38 HN ASP 38 4.187 14.574 7.620 273 HA ASP 38 HA ASP 38 3.693 12.478 7.050 274 HB2 ASP 38 2HB ASP 38 3.629 12.188 10.067 275 HB3 ASP 38 3HB ASP 38 3.575 10.832 8.936 276 H ASN 39 HN ASN 39 1.389 14.396 7.912 277 HA ASN 39 HA ASN 39 -0.890 12.609 8.220 278 HB2 ASN 39 2HB ASN 39 -0.512 15.618 7.933 279 HB3 ASN 39 3HB ASN 39 -2.117 14.881 8.077 280 HD21 ASN 39 1HD2 ASN 39 -0.092 16.616 9.959 281 HD22 ASN 39 2HD2 ASN 39 -0.213 15.724 11.445 282 H SER 40 HN SER 40 0.400 11.819 5.886 283 HA SER 40 HA SER 40 -1.192 12.922 3.656 284 HB2 SER 40 2HB SER 40 1.782 12.590 4.059 285 HB3 SER 40 3HB SER 40 1.118 12.145 2.503 286 HG SER 40 HG SER 40 1.289 14.649 3.733 287 H LEU 41 HN LEU 41 -0.729 11.260 1.771 288 HA LEU 41 HA LEU 41 -1.425 8.565 2.788 289 HB2 LEU 41 2HB LEU 41 -2.142 9.953 0.208 290 HB3 LEU 41 3HB LEU 41 -2.588 8.300 0.665 291 HG LEU 41 HG LEU 41 -3.529 10.852 2.038 292 HD11 LEU 41 1HD1 LEU 41 -5.686 10.243 1.093 293 HD12 LEU 41 2HD1 LEU 41 -4.984 8.779 0.358 294 HD13 LEU 41 3HD1 LEU 41 -4.488 10.385 -0.204 295 HD21 LEU 41 1HD2 LEU 41 -4.005 7.907 2.683 296 HD22 LEU 41 2HD2 LEU 41 -5.079 9.210 3.248 297 HD23 LEU 41 3HD2 LEU 41 -3.391 9.185 3.761 298 H VAL 42 HN VAL 42 -0.631 6.772 1.548 299 HA VAL 42 HA VAL 42 1.561 7.242 -0.395 300 HB VAL 42 HB VAL 42 2.784 5.320 0.498 301 HG11 VAL 42 1HG1 VAL 42 2.378 7.486 2.572 302 HG12 VAL 42 2HG1 VAL 42 3.792 6.434 2.371 303 HG13 VAL 42 3HG1 VAL 42 3.387 7.596 1.106 304 HG21 VAL 42 1HG2 VAL 42 0.678 5.213 2.662 305 HG22 VAL 42 2HG2 VAL 42 1.430 3.916 1.686 306 HG23 VAL 42 3HG2 VAL 42 2.348 4.682 2.961 307 H ALA 43 HN ALA 43 1.704 5.383 -1.998 308 HA ALA 43 HA ALA 43 -0.932 4.078 -2.388 309 HB1 ALA 43 1HB ALA 43 0.483 5.874 -4.421 310 HB2 ALA 43 2HB ALA 43 -0.975 4.898 -4.701 311 HB3 ALA 43 3HB ALA 43 -1.033 6.264 -3.590 312 H LEU 44 HN LEU 44 -0.664 2.049 -3.070 313 HA LEU 44 HA LEU 44 1.971 1.199 -4.163 314 HB2 LEU 44 2HB LEU 44 -0.043 -0.400 -2.531 315 HB3 LEU 44 3HB LEU 44 1.412 -1.020 -3.264 316 HG LEU 44 HG LEU 44 2.063 -0.822 -1.091 317 HD11 LEU 44 1HD1 LEU 44 2.890 1.949 -1.975 318 HD12 LEU 44 2HD1 LEU 44 3.642 0.441 -2.543 319 HD13 LEU 44 3HD1 LEU 44 3.688 0.859 -0.831 320 HD21 LEU 44 1HD2 LEU 44 0.067 0.243 -0.189 321 HD22 LEU 44 2HD2 LEU 44 0.593 1.833 -0.788 322 HD23 LEU 44 3HD2 LEU 44 1.518 0.996 0.466 323 H LYS 45 HN LYS 45 1.744 0.932 -6.283 324 HA LYS 45 HA LYS 45 -0.792 0.090 -7.525 325 HB2 LYS 45 2HB LYS 45 0.481 -0.041 -9.564 326 HB3 LYS 45 3HB LYS 45 0.819 1.490 -8.786 327 HG2 LYS 45 2HG LYS 45 3.015 0.963 -8.304 328 HG3 LYS 45 3HG LYS 45 2.756 -0.777 -8.249 329 HD2 LYS 45 2HD LYS 45 2.763 -1.042 -10.565 330 HD3 LYS 45 3HD LYS 45 2.330 0.645 -10.862 331 HE2 LYS 45 2HE LYS 45 4.589 1.329 -9.963 332 HE3 LYS 45 3HE LYS 45 5.031 -0.386 -9.905 333 HZ1 LYS 45 1HZ LYS 45 5.744 0.670 -11.979 334 HZ2 LYS 45 2HZ LYS 45 4.180 1.051 -12.364 335 HZ3 LYS 45 3HZ LYS 45 4.655 -0.501 -12.290 336 H LEU 46 HN LEU 46 -0.727 -1.973 -8.854 337 HA LEU 46 HA LEU 46 -0.335 -4.257 -7.431 338 HB2 LEU 46 2HB LEU 46 -0.424 -5.490 -9.470 339 HB3 LEU 46 3HB LEU 46 -1.588 -4.183 -9.541 340 HG LEU 46 HG LEU 46 1.149 -3.921 -10.890 341 HD11 LEU 46 1HD1 LEU 46 0.081 -4.742 -12.963 342 HD12 LEU 46 2HD1 LEU 46 -1.315 -5.257 -11.987 343 HD13 LEU 46 3HD1 LEU 46 0.267 -5.984 -11.717 344 HD21 LEU 46 1HD2 LEU 46 -0.148 -2.411 -12.392 345 HD22 LEU 46 2HD2 LEU 46 -0.086 -1.836 -10.745 346 HD23 LEU 46 3HD2 LEU 46 -1.567 -2.608 -11.358 347 H LEU 47 HN LEU 47 1.139 -5.770 -7.201 348 HA LEU 47 HA LEU 47 3.663 -5.772 -8.615 349 HB2 LEU 47 2HB LEU 47 3.441 -5.065 -5.717 350 HB3 LEU 47 3HB LEU 47 4.636 -6.305 -6.096 351 HG LEU 47 HG LEU 47 4.593 -3.655 -7.534 352 HD11 LEU 47 1HD1 LEU 47 6.112 -4.612 -5.086 353 HD12 LEU 47 2HD1 LEU 47 5.025 -3.221 -5.218 354 HD13 LEU 47 3HD1 LEU 47 6.583 -3.198 -6.057 355 HD21 LEU 47 1HD2 LEU 47 6.824 -4.360 -8.217 356 HD22 LEU 47 2HD2 LEU 47 5.678 -5.556 -8.780 357 HD23 LEU 47 3HD2 LEU 47 6.639 -5.916 -7.357 358 H SER 48 HN SER 48 4.788 -7.962 -7.065 359 HA SER 48 HA SER 48 2.848 -10.108 -7.605 360 HB2 SER 48 2HB SER 48 4.892 -9.061 -9.449 361 HB3 SER 48 3HB SER 48 5.255 -10.699 -8.979 362 HG SER 48 HG SER 48 4.090 -10.769 -10.756 363 HA PRO 49 HA PRO 49 3.759 -12.506 -8.203 364 HB2 PRO 49 2HB PRO 49 3.247 -14.789 -6.793 365 HB3 PRO 49 3HB PRO 49 4.871 -14.425 -7.450 366 HG2 PRO 49 2HG PRO 49 3.810 -13.877 -4.670 367 HG3 PRO 49 3HG PRO 49 5.324 -14.734 -5.115 368 HD2 PRO 49 2HD PRO 49 5.393 -12.103 -4.441 369 HD3 PRO 49 3HD PRO 49 6.373 -12.699 -5.794 370 H ASP 50 HN ASP 50 1.493 -13.097 -8.458 371 HA ASP 50 HA ASP 50 -0.381 -12.350 -6.322 372 HB2 ASP 50 2HB ASP 50 0.488 -10.256 -7.703 373 HB3 ASP 50 3HB ASP 50 -0.697 -10.807 -8.889 374 H GLY 51 HN GLY 51 -2.763 -12.366 -7.464 375 HA2 GLY 51 2HA GLY 51 -3.651 -13.799 -9.537 376 HA3 GLY 51 1HA GLY 51 -3.107 -15.094 -8.445 377 H ASP 52 HN ASP 52 -5.802 -15.094 -8.897 378 HA ASP 52 HA ASP 52 -7.484 -13.517 -7.305 379 HB2 ASP 52 2HB ASP 52 -7.607 -16.436 -8.056 380 HB3 ASP 52 3HB ASP 52 -8.812 -15.760 -6.980 381 H ASN 53 HN ASN 53 -5.369 -16.215 -6.327 382 HA ASN 53 HA ASN 53 -6.495 -16.546 -3.725 383 HB2 ASN 53 2HB ASN 53 -4.647 -17.995 -5.022 384 HB3 ASN 53 3HB ASN 53 -3.517 -16.981 -4.147 385 HD21 ASN 53 1HD2 ASN 53 -2.917 -17.953 -2.125 386 HD22 ASN 53 2HD2 ASN 53 -4.120 -18.772 -1.107 387 H ALA 54 HN ALA 54 -3.777 -14.645 -4.902 388 HA ALA 54 HA ALA 54 -2.839 -13.557 -2.453 389 HB1 ALA 54 1HB ALA 54 -1.779 -11.926 -4.105 390 HB2 ALA 54 2HB ALA 54 -1.490 -13.651 -4.474 391 HB3 ALA 54 3HB ALA 54 -2.679 -12.707 -5.375 392 H TRP 55 HN TRP 55 -4.907 -12.175 -5.027 393 HA TRP 55 HA TRP 55 -5.838 -9.853 -3.950 394 HB2 TRP 55 2HB TRP 55 -6.304 -10.526 -6.129 395 HB3 TRP 55 3HB TRP 55 -7.118 -12.012 -5.632 396 HD1 TRP 55 1HD TRP 55 -9.390 -11.735 -6.702 397 HE1 TRP 55 1HE TRP 55 -11.225 -9.950 -6.788 398 HE3 TRP 55 3HE TRP 55 -7.010 -8.087 -4.060 399 HZ2 TRP 55 2HZ TRP 55 -11.510 -7.150 -5.963 400 HZ3 TRP 55 3HZ TRP 55 -7.975 -5.953 -3.767 401 HH2 TRP 55 2HH TRP 55 -10.264 -5.375 -4.731 402 H SER 56 HN SER 56 -7.456 -13.020 -3.510 403 HA SER 56 HA SER 56 -9.508 -12.157 -1.865 404 HB2 SER 56 2HB SER 56 -9.228 -14.366 -3.068 405 HB3 SER 56 3HB SER 56 -8.161 -14.892 -1.759 406 HG SER 56 HG SER 56 -10.913 -14.293 -1.811 407 H VAL 57 HN VAL 57 -6.457 -13.663 -0.891 408 HA VAL 57 HA VAL 57 -6.815 -13.600 1.903 409 HB VAL 57 HB VAL 57 -4.379 -13.893 0.057 410 HG11 VAL 57 1HG1 VAL 57 -3.332 -15.261 1.810 411 HG12 VAL 57 2HG1 VAL 57 -3.547 -13.604 2.364 412 HG13 VAL 57 3HG1 VAL 57 -4.647 -14.891 2.929 413 HG21 VAL 57 1HG2 VAL 57 -6.088 -16.020 1.476 414 HG22 VAL 57 2HG2 VAL 57 -6.315 -15.607 -0.208 415 HG23 VAL 57 3HG2 VAL 57 -4.787 -16.302 0.298 416 H MET 58 HN MET 58 -4.956 -11.274 -0.240 417 HA MET 58 HA MET 58 -4.074 -9.802 2.053 418 HB2 MET 58 2HB MET 58 -3.401 -8.020 0.628 419 HB3 MET 58 3HB MET 58 -2.911 -9.547 -0.082 420 HG2 MET 58 2HG MET 58 -4.674 -9.333 -1.793 421 HG3 MET 58 3HG MET 58 -5.296 -7.889 -0.984 422 HE1 MET 58 1HE MET 58 -5.336 -6.325 -2.746 423 HE2 MET 58 2HE MET 58 -3.996 -5.859 -3.808 424 HE3 MET 58 3HE MET 58 -4.768 -7.448 -4.010 425 H TYR 59 HN TYR 59 -6.937 -9.370 -0.136 426 HA TYR 59 HA TYR 59 -7.778 -6.981 1.118 427 HB2 TYR 59 2HB TYR 59 -8.624 -7.736 -1.068 428 HB3 TYR 59 3HB TYR 59 -9.396 -9.120 -0.317 429 HD1 TYR 59 1HD TYR 59 -11.660 -8.725 -0.914 430 HD2 TYR 59 2HD TYR 59 -9.454 -5.582 1.050 431 HE1 TYR 59 1HE TYR 59 -13.749 -7.425 -0.629 432 HE2 TYR 59 2HE TYR 59 -11.496 -4.288 1.320 433 HH TYR 59 HH TYR 59 -14.591 -5.282 -0.070 434 H LYS 60 HN LYS 60 -8.416 -10.435 1.988 435 HA LYS 60 HA LYS 60 -10.346 -9.808 4.018 436 HB2 LYS 60 2HB LYS 60 -8.533 -12.200 3.529 437 HB3 LYS 60 3HB LYS 60 -9.603 -12.071 4.938 438 HG2 LYS 60 2HG LYS 60 -11.535 -11.652 3.431 439 HG3 LYS 60 3HG LYS 60 -10.540 -11.750 2.056 440 HD2 LYS 60 2HD LYS 60 -10.566 -14.143 3.902 441 HD3 LYS 60 3HD LYS 60 -12.051 -13.765 3.013 442 HE2 LYS 60 2HE LYS 60 -10.647 -13.418 0.970 443 HE3 LYS 60 3HE LYS 60 -9.292 -14.184 1.809 444 HZ1 LYS 60 1HZ LYS 60 -10.636 -15.623 0.330 445 HZ2 LYS 60 2HZ LYS 60 -11.932 -15.476 1.304 446 HZ3 LYS 60 3HZ LYS 60 -10.540 -16.231 1.845 447 H LEU 61 HN LEU 61 -6.718 -10.092 4.191 448 HA LEU 61 HA LEU 61 -6.848 -9.385 7.010 449 HB2 LEU 61 2HB LEU 61 -4.657 -9.684 5.023 450 HB3 LEU 61 3HB LEU 61 -4.359 -8.511 6.302 451 HG LEU 61 HG LEU 61 -3.585 -10.900 6.747 452 HD11 LEU 61 1HD1 LEU 61 -3.669 -9.223 8.523 453 HD12 LEU 61 2HD1 LEU 61 -4.194 -10.797 9.147 454 HD13 LEU 61 3HD1 LEU 61 -5.390 -9.542 8.792 455 HD21 LEU 61 1HD2 LEU 61 -5.122 -12.570 7.411 456 HD22 LEU 61 2HD2 LEU 61 -5.885 -11.845 5.966 457 HD23 LEU 61 3HD2 LEU 61 -6.453 -11.420 7.572 458 H SER 62 HN SER 62 -6.629 -7.352 4.101 459 HA SER 62 HA SER 62 -6.165 -4.942 5.466 460 HB2 SER 62 2HB SER 62 -7.829 -5.376 2.981 461 HB3 SER 62 3HB SER 62 -7.183 -3.816 3.542 462 HG SER 62 HG SER 62 -5.129 -4.556 3.288 463 H GLN 63 HN GLN 63 -9.408 -6.465 4.799 464 HA GLN 63 HA GLN 63 -10.706 -4.338 6.284 465 HB2 GLN 63 2HB GLN 63 -11.727 -7.128 5.679 466 HB3 GLN 63 3HB GLN 63 -12.691 -5.814 6.360 467 HG2 GLN 63 2HG GLN 63 -11.335 -5.730 3.627 468 HG3 GLN 63 3HG GLN 63 -13.015 -6.169 3.915 469 HE21 GLN 63 1HE2 GLN 63 -13.849 -4.472 2.581 470 HE22 GLN 63 2HE2 GLN 63 -13.798 -2.815 3.094 471 H ALA 64 HN ALA 64 -9.554 -7.610 7.267 472 HA ALA 64 HA ALA 64 -10.367 -7.490 9.913 473 HB1 ALA 64 1HB ALA 64 -9.333 -9.464 8.726 474 HB2 ALA 64 2HB ALA 64 -7.736 -8.695 8.934 475 HB3 ALA 64 3HB ALA 64 -8.697 -9.174 10.337 476 H LEU 65 HN LEU 65 -7.551 -5.635 8.500 477 HA LEU 65 HA LEU 65 -6.457 -4.928 11.025 478 HB2 LEU 65 2HB LEU 65 -5.164 -5.644 9.003 479 HB3 LEU 65 3HB LEU 65 -6.042 -4.439 8.037 480 HG LEU 65 HG LEU 65 -5.134 -2.698 9.152 481 HD11 LEU 65 1HD1 LEU 65 -3.724 -4.766 10.890 482 HD12 LEU 65 2HD1 LEU 65 -4.796 -3.478 11.436 483 HD13 LEU 65 3HD1 LEU 65 -3.184 -3.065 10.858 484 HD21 LEU 65 1HD2 LEU 65 -2.941 -4.642 8.316 485 HD22 LEU 65 2HD2 LEU 65 -2.712 -2.887 8.492 486 HD23 LEU 65 3HD2 LEU 65 -3.828 -3.501 7.276 487 H SER 66 HN SER 66 -8.439 -3.573 8.336 488 HA SER 66 HA SER 66 -8.257 -0.850 9.140 489 HB2 SER 66 2HB SER 66 -8.963 -1.563 6.859 490 HB3 SER 66 3HB SER 66 -10.450 -2.254 7.543 491 HG SER 66 HG SER 66 -10.482 0.020 6.630 492 H ASP 67 HN ASP 67 -10.427 -3.535 9.883 493 HA ASP 67 HA ASP 67 -12.409 -2.462 11.431 494 HB2 ASP 67 2HB ASP 67 -12.082 -4.824 10.729 495 HB3 ASP 67 3HB ASP 67 -10.738 -4.966 11.855 496 H ILE 68 HN ILE 68 -9.061 -2.970 12.326 497 HA ILE 68 HA ILE 68 -9.525 -2.433 15.156 498 HB ILE 68 HB ILE 68 -6.752 -2.571 13.946 499 HG12 ILE 68 2HG1 ILE 68 -7.757 -4.474 12.893 500 HG13 ILE 68 3HG1 ILE 68 -6.596 -4.950 14.122 501 HG21 ILE 68 1HG2 ILE 68 -7.091 -2.028 16.340 502 HG22 ILE 68 2HG2 ILE 68 -7.970 -3.523 16.571 503 HG23 ILE 68 3HG2 ILE 68 -6.249 -3.579 16.136 504 HD11 ILE 68 1HD1 ILE 68 -9.628 -5.045 14.448 505 HD12 ILE 68 2HD1 ILE 68 -8.542 -6.424 14.154 506 HD13 ILE 68 3HD1 ILE 68 -8.444 -5.542 15.674 507 H GLU 69 HN GLU 69 -7.208 -0.900 12.763 508 HA GLU 69 HA GLU 69 -7.926 1.780 13.555 509 HB2 GLU 69 2HB GLU 69 -5.770 2.192 14.803 510 HB3 GLU 69 3HB GLU 69 -6.948 1.226 15.649 511 HG2 GLU 69 2HG GLU 69 -5.591 -0.512 15.821 512 HG3 GLU 69 3HG GLU 69 -5.315 -0.561 14.091 513 H VAL 70 HN VAL 70 -6.801 -0.190 11.173 514 HA VAL 70 HA VAL 70 -4.973 1.905 10.157 515 HB VAL 70 HB VAL 70 -4.331 -1.026 10.113 516 HG11 VAL 70 1HG1 VAL 70 -3.512 0.170 8.083 517 HG12 VAL 70 2HG1 VAL 70 -2.775 1.399 9.137 518 HG13 VAL 70 3HG1 VAL 70 -2.171 -0.281 9.141 519 HG21 VAL 70 1HG2 VAL 70 -3.086 1.282 11.641 520 HG22 VAL 70 2HG2 VAL 70 -3.896 -0.140 12.322 521 HG23 VAL 70 3HG2 VAL 70 -2.363 -0.330 11.483 522 HA PRO 71 HA PRO 71 -8.241 0.942 7.190 523 HB2 PRO 71 2HB PRO 71 -8.924 3.403 6.366 524 HB3 PRO 71 3HB PRO 71 -9.425 2.720 7.945 525 HG2 PRO 71 2HG PRO 71 -7.077 4.576 7.375 526 HG3 PRO 71 3HG PRO 71 -8.298 4.742 8.664 527 HD2 PRO 71 2HD PRO 71 -5.846 3.593 9.078 528 HD3 PRO 71 3HD PRO 71 -7.312 3.055 9.956 529 H CYS 72 HN CYS 72 -7.317 -0.031 5.640 530 HA CYS 72 HA CYS 72 -5.675 1.491 3.660 531 HB2 CYS 72 2HB CYS 72 -5.864 -1.490 3.796 532 HB3 CYS 72 3HB CYS 72 -4.703 -0.527 2.910 533 HG CYS 72 HG CYS 72 -3.003 -0.903 4.537 534 H SER 73 HN SER 73 -6.561 1.827 1.868 535 HA SER 73 HA SER 73 -9.274 0.889 1.088 536 HB2 SER 73 2HB SER 73 -7.396 3.096 0.333 537 HB3 SER 73 3HB SER 73 -8.423 2.460 -0.939 538 HG SER 73 HG SER 73 -10.250 3.083 0.306 539 H VAL 74 HN VAL 74 -8.887 -1.246 0.553 540 HA VAL 74 HA VAL 74 -7.032 -1.928 -1.605 541 HB VAL 74 HB VAL 74 -9.350 -3.441 -0.332 542 HG11 VAL 74 1HG1 VAL 74 -7.040 -4.367 -2.111 543 HG12 VAL 74 2HG1 VAL 74 -8.190 -5.449 -1.298 544 HG13 VAL 74 3HG1 VAL 74 -8.766 -4.319 -2.535 545 HG21 VAL 74 1HG2 VAL 74 -6.357 -3.497 0.223 546 HG22 VAL 74 2HG2 VAL 74 -7.632 -3.031 1.366 547 HG23 VAL 74 3HG2 VAL 74 -7.469 -4.707 0.815 548 H LEU 75 HN LEU 75 -7.518 -0.995 -3.558 549 HA LEU 75 HA LEU 75 -10.344 -1.034 -4.451 550 HB2 LEU 75 2HB LEU 75 -8.236 0.947 -5.348 551 HB3 LEU 75 3HB LEU 75 -9.933 0.935 -5.778 552 HG LEU 75 HG LEU 75 -8.737 1.641 -3.069 553 HD11 LEU 75 1HD1 LEU 75 -8.560 3.326 -4.912 554 HD12 LEU 75 2HD1 LEU 75 -9.544 3.872 -3.535 555 HD13 LEU 75 3HD1 LEU 75 -10.332 3.333 -5.019 556 HD21 LEU 75 1HD2 LEU 75 -11.652 1.383 -3.890 557 HD22 LEU 75 2HD2 LEU 75 -11.122 2.409 -2.564 558 HD23 LEU 75 3HD2 LEU 75 -10.843 0.658 -2.493 559 H GLU 76 HN GLU 76 -10.430 -1.231 -6.868 560 HA GLU 76 HA GLU 76 -8.019 -2.552 -8.045 561 HB2 GLU 76 2HB GLU 76 -10.091 -3.981 -7.896 562 HB3 GLU 76 3HB GLU 76 -10.931 -2.769 -8.872 563 HG2 GLU 76 2HG GLU 76 -9.107 -3.158 -10.666 564 HG3 GLU 76 3HG GLU 76 -8.617 -4.561 -9.699 565 H CYS 77 HN CYS 77 -7.320 -1.601 -10.058 566 HA CYS 77 HA CYS 77 -9.003 0.492 -11.254 567 HB2 CYS 77 2HB CYS 77 -7.296 1.620 -9.730 568 HB3 CYS 77 3HB CYS 77 -6.030 0.916 -10.756 569 HG CYS 77 HG CYS 77 -6.704 2.010 -12.964 570 H GLU 78 HN GLU 78 -8.929 0.259 -13.459 571 HA GLU 78 HA GLU 78 -8.590 -0.515 -15.487 572 HB2 GLU 78 2HB GLU 78 -5.897 -0.063 -14.528 573 HB3 GLU 78 3HB GLU 78 -5.901 -1.477 -15.578 574 HG2 GLU 78 2HG GLU 78 -6.901 -0.242 -17.401 575 HG3 GLU 78 3HG GLU 78 -7.258 1.132 -16.353 576 H GLY 79 HN GLY 79 -8.085 -2.616 -12.879 577 HA2 GLY 79 2HA GLY 79 -9.294 -4.854 -13.141 578 HA3 GLY 79 1HA GLY 79 -8.228 -5.069 -14.536 579 H GLU 80 HN GLU 80 -6.671 -3.274 -11.984 580 HA GLU 80 HA GLU 80 -5.213 -5.717 -11.180 581 HB2 GLU 80 2HB GLU 80 -4.236 -2.947 -11.990 582 HB3 GLU 80 3HB GLU 80 -3.208 -4.201 -11.338 583 HG2 GLU 80 2HG GLU 80 -4.759 -4.466 -13.955 584 HG3 GLU 80 3HG GLU 80 -3.096 -3.919 -13.817 585 HA PRO 81 HA PRO 81 -5.749 -4.361 -7.131 586 HB2 PRO 81 2HB PRO 81 -3.431 -5.214 -5.830 587 HB3 PRO 81 3HB PRO 81 -4.801 -6.273 -6.311 588 HG2 PRO 81 2HG PRO 81 -2.194 -5.773 -7.749 589 HG3 PRO 81 3HG PRO 81 -3.044 -7.329 -7.499 590 HD2 PRO 81 2HD PRO 81 -3.218 -5.959 -9.845 591 HD3 PRO 81 3HD PRO 81 -4.623 -6.842 -9.178 592 H CYS 82 HN CYS 82 -5.637 -2.487 -6.014 593 HA CYS 82 HA CYS 82 -3.234 -0.778 -6.229 594 HB2 CYS 82 2HB CYS 82 -6.098 0.027 -6.887 595 HB3 CYS 82 3HB CYS 82 -4.712 1.133 -6.768 596 HG CYS 82 HG CYS 82 -5.062 -1.470 -8.815 597 H LEU 83 HN LEU 83 -2.668 -0.445 -4.146 598 HA LEU 83 HA LEU 83 -4.787 -0.331 -2.025 599 HB2 LEU 83 2HB LEU 83 -2.047 -1.547 -2.282 600 HB3 LEU 83 3HB LEU 83 -2.207 -0.555 -0.859 601 HG LEU 83 HG LEU 83 -2.613 -2.912 -0.436 602 HD11 LEU 83 1HD1 LEU 83 -5.144 -1.310 0.040 603 HD12 LEU 83 2HD1 LEU 83 -3.622 -1.097 0.938 604 HD13 LEU 83 3HD1 LEU 83 -4.465 -2.636 1.021 605 HD21 LEU 83 1HD2 LEU 83 -3.625 -3.580 -2.570 606 HD22 LEU 83 2HD2 LEU 83 -5.093 -2.677 -2.200 607 HD23 LEU 83 3HD2 LEU 83 -4.630 -4.077 -1.213 608 H PHE 84 HN PHE 84 -4.948 1.371 -0.778 609 HA PHE 84 HA PHE 84 -2.993 3.598 -1.057 610 HB2 PHE 84 2HB PHE 84 -6.008 3.887 -1.044 611 HB3 PHE 84 3HB PHE 84 -4.832 5.195 -1.120 612 HD1 PHE 84 1HD PHE 84 -3.692 5.719 -3.205 613 HD2 PHE 84 2HD PHE 84 -6.369 2.352 -2.976 614 HE1 PHE 84 1HE PHE 84 -3.578 5.455 -5.683 615 HE2 PHE 84 2HE PHE 84 -6.290 2.116 -5.424 616 HZ PHE 84 HZ PHE 84 -4.879 3.629 -6.790 617 H VAL 85 HN VAL 85 -2.403 4.422 0.839 618 HA VAL 85 HA VAL 85 -3.834 3.770 3.305 619 HB VAL 85 HB VAL 85 -1.244 3.157 4.003 620 HG11 VAL 85 1HG1 VAL 85 -3.343 1.933 4.516 621 HG12 VAL 85 2HG1 VAL 85 -3.306 1.216 2.885 622 HG13 VAL 85 3HG1 VAL 85 -2.020 0.850 4.067 623 HG21 VAL 85 1HG2 VAL 85 -0.434 3.004 1.643 624 HG22 VAL 85 2HG2 VAL 85 -0.374 1.449 2.538 625 HG23 VAL 85 3HG2 VAL 85 -1.618 1.728 1.339 626 H ASN 86 HN ASN 86 -2.655 4.823 5.208 627 HA ASN 86 HA ASN 86 -2.388 7.613 4.445 628 HB2 ASN 86 2HB ASN 86 -2.271 6.294 7.171 629 HB3 ASN 86 3HB ASN 86 -2.189 8.005 6.901 630 HD21 ASN 86 1HD2 ASN 86 -4.227 5.151 7.119 631 HD22 ASN 86 2HD2 ASN 86 -5.745 5.897 6.682 632 H ARG 87 HN ARG 87 -0.410 6.042 6.785 633 HA ARG 87 HA ARG 87 1.995 6.484 5.059 634 HB2 ARG 87 2HB ARG 87 1.426 8.648 6.343 635 HB3 ARG 87 3HB ARG 87 1.803 7.791 7.825 636 HG2 ARG 87 2HG ARG 87 3.830 8.814 7.380 637 HG3 ARG 87 3HG ARG 87 4.093 7.244 6.597 638 HD2 ARG 87 2HD ARG 87 3.215 8.373 4.425 639 HD3 ARG 87 3HD ARG 87 3.306 9.882 5.318 640 HE ARG 87 HE ARG 87 5.591 9.871 5.242 641 HH11 ARG 87 1HH1 ARG 87 4.665 6.526 4.318 642 HH12 ARG 87 2HH1 ARG 87 6.221 6.150 3.695 643 HH21 ARG 87 1HH2 ARG 87 7.568 9.316 4.753 644 HH22 ARG 87 2HH2 ARG 87 8.005 7.816 4.020 645 H GLN 88 HN GLN 88 1.478 5.861 8.482 646 HA GLN 88 HA GLN 88 3.746 3.995 8.604 647 HB2 GLN 88 2HB GLN 88 2.449 3.526 10.933 648 HB3 GLN 88 3HB GLN 88 3.612 4.805 10.709 649 HG2 GLN 88 2HG GLN 88 0.661 5.314 10.261 650 HG3 GLN 88 3HG GLN 88 1.326 5.245 11.869 651 HE21 GLN 88 1HE2 GLN 88 0.192 7.475 10.348 652 HE22 GLN 88 2HE2 GLN 88 1.360 8.799 10.380 653 H ASP 89 HN ASP 89 0.474 3.828 7.890 654 HA ASP 89 HA ASP 89 -0.534 1.482 8.638 655 HB2 ASP 89 2HB ASP 89 -0.988 2.978 6.053 656 HB3 ASP 89 3HB ASP 89 -2.128 1.831 6.758 657 H GLU 90 HN GLU 90 1.432 2.205 5.711 658 HA GLU 90 HA GLU 90 0.992 -0.410 4.652 659 HB2 GLU 90 2HB GLU 90 1.651 1.450 3.141 660 HB3 GLU 90 3HB GLU 90 3.174 1.604 3.988 661 HG2 GLU 90 2HG GLU 90 3.466 0.474 1.853 662 HG3 GLU 90 3HG GLU 90 3.951 -0.539 3.192 663 H PHE 91 HN PHE 91 3.404 1.044 6.809 664 HA PHE 91 HA PHE 91 5.326 -1.086 6.611 665 HB2 PHE 91 2HB PHE 91 4.915 0.839 8.926 666 HB3 PHE 91 3HB PHE 91 6.361 -0.067 8.554 667 HD1 PHE 91 1HD PHE 91 5.951 2.999 8.966 668 HD2 PHE 91 2HD PHE 91 6.252 0.571 5.399 669 HE1 PHE 91 1HE PHE 91 6.891 4.916 7.712 670 HE2 PHE 91 2HE PHE 91 7.198 2.478 4.189 671 HZ PHE 91 HZ PHE 91 7.526 4.663 5.327 672 H ALA 92 HN ALA 92 2.744 -0.266 8.868 673 HA ALA 92 HA ALA 92 2.804 -2.552 10.547 674 HB1 ALA 92 1HB ALA 92 1.447 -0.548 11.032 675 HB2 ALA 92 2HB ALA 92 0.433 -0.832 9.608 676 HB3 ALA 92 3HB ALA 92 0.394 -1.967 10.970 677 H ALA 93 HN ALA 93 0.803 -1.952 7.596 678 HA ALA 93 HA ALA 93 -0.424 -4.456 7.525 679 HB1 ALA 93 1HB ALA 93 -0.992 -3.855 5.201 680 HB2 ALA 93 2HB ALA 93 -1.249 -2.495 6.306 681 HB3 ALA 93 3HB ALA 93 0.169 -2.510 5.252 682 H THR 94 HN THR 94 2.566 -3.430 5.681 683 HA THR 94 HA THR 94 2.835 -5.930 4.476 684 HB THR 94 HB THR 94 3.888 -3.806 3.730 685 HG1 THR 94 1HG THR 94 5.321 -4.772 2.724 686 HG21 THR 94 1HG2 THR 94 4.947 -3.139 5.935 687 HG22 THR 94 2HG2 THR 94 6.003 -3.038 4.534 688 HG23 THR 94 3HG2 THR 94 6.157 -4.406 5.662 689 H CYS 95 HN CYS 95 4.187 -4.727 7.596 690 HA CYS 95 HA CYS 95 5.728 -6.991 8.282 691 HB2 CYS 95 2HB CYS 95 5.382 -4.704 9.540 692 HB3 CYS 95 3HB CYS 95 3.998 -5.498 10.287 693 HG CYS 95 HG CYS 95 6.224 -5.472 11.794 694 H ARG 96 HN ARG 96 2.285 -6.362 8.970 695 HA ARG 96 HA ARG 96 1.732 -8.828 10.266 696 HB2 ARG 96 2HB ARG 96 0.014 -6.774 8.786 697 HB3 ARG 96 3HB ARG 96 -0.696 -8.065 9.716 698 HG2 ARG 96 2HG ARG 96 0.258 -7.235 11.788 699 HG3 ARG 96 3HG ARG 96 1.170 -6.000 10.933 700 HD2 ARG 96 2HD ARG 96 -1.261 -5.357 9.993 701 HD3 ARG 96 3HD ARG 96 -1.803 -6.182 11.446 702 HE ARG 96 HE ARG 96 -0.206 -3.732 11.155 703 HH11 ARG 96 1HH1 ARG 96 -1.987 -5.832 13.392 704 HH12 ARG 96 2HH1 ARG 96 -1.644 -4.863 14.783 705 HH21 ARG 96 1HH2 ARG 96 -0.191 -2.169 13.053 706 HH22 ARG 96 2HH2 ARG 96 -0.748 -2.745 14.541 707 H LEU 97 HN LEU 97 1.518 -7.894 6.813 708 HA LEU 97 HA LEU 97 0.214 -10.376 6.023 709 HB2 LEU 97 2HB LEU 97 1.371 -7.946 4.663 710 HB3 LEU 97 3HB LEU 97 1.038 -9.367 3.695 711 HG LEU 97 HG LEU 97 -0.746 -7.476 3.915 712 HD11 LEU 97 1HD1 LEU 97 -2.578 -9.115 3.638 713 HD12 LEU 97 2HD1 LEU 97 -1.496 -10.415 4.175 714 HD13 LEU 97 3HD1 LEU 97 -1.155 -9.500 2.678 715 HD21 LEU 97 1HD2 LEU 97 -1.541 -9.082 6.394 716 HD22 LEU 97 2HD2 LEU 97 -2.449 -7.814 5.590 717 HD23 LEU 97 3HD2 LEU 97 -0.949 -7.397 6.388 718 H LYS 98 HN LYS 98 3.646 -9.295 6.144 719 HA LYS 98 HA LYS 98 4.681 -11.651 4.859 720 HB2 LYS 98 2HB LYS 98 5.790 -9.647 6.825 721 HB3 LYS 98 3HB LYS 98 6.668 -11.149 6.561 722 HG2 LYS 98 2HG LYS 98 7.402 -10.579 4.522 723 HG3 LYS 98 3HG LYS 98 5.839 -9.955 4.008 724 HD2 LYS 98 2HD LYS 98 6.277 -7.869 5.317 725 HD3 LYS 98 3HD LYS 98 7.877 -8.491 5.709 726 HE2 LYS 98 2HE LYS 98 8.443 -8.543 3.295 727 HE3 LYS 98 3HE LYS 98 6.788 -8.049 2.880 728 HZ1 LYS 98 1HZ LYS 98 8.299 -6.228 2.814 729 HZ2 LYS 98 2HZ LYS 98 8.687 -6.423 4.412 730 HZ3 LYS 98 3HZ LYS 98 7.125 -5.980 3.934 731 H ASN 99 HN ASN 99 3.371 -11.174 8.140 732 HA ASN 99 HA ASN 99 4.228 -13.739 9.100 733 HB2 ASN 99 2HB ASN 99 1.608 -12.449 9.824 734 HB3 ASN 99 3HB ASN 99 2.411 -13.728 10.677 735 HD21 ASN 99 1HD2 ASN 99 5.027 -12.900 11.045 736 HD22 ASN 99 2HD2 ASN 99 5.009 -11.411 11.968 737 H PHE 100 HN PHE 100 1.332 -12.740 7.211 738 HA PHE 100 HA PHE 100 0.265 -15.378 7.104 739 HB2 PHE 100 2HB PHE 100 -0.675 -12.889 6.343 740 HB3 PHE 100 3HB PHE 100 -0.391 -13.649 4.781 741 HD1 PHE 100 1HD PHE 100 -1.514 -15.891 4.264 742 HD2 PHE 100 2HD PHE 100 -2.399 -13.608 7.814 743 HE1 PHE 100 1HE PHE 100 -3.453 -17.363 4.729 744 HE2 PHE 100 2HE PHE 100 -4.340 -15.075 8.271 745 HZ PHE 100 HZ PHE 100 -4.846 -17.001 6.762 746 H GLY 101 HN GLY 101 2.679 -13.770 5.196 747 HA2 GLY 101 2HA GLY 101 4.269 -14.631 3.772 748 HA3 GLY 101 1HA GLY 101 3.569 -16.255 3.941 749 H VAL 102 HN VAL 102 2.858 -13.007 2.611 750 HA VAL 102 HA VAL 102 1.993 -14.087 0.045 751 HB VAL 102 HB VAL 102 0.074 -12.460 0.062 752 HG11 VAL 102 1HG1 VAL 102 -1.493 -13.874 1.143 753 HG12 VAL 102 2HG1 VAL 102 -0.256 -14.895 0.405 754 HG13 VAL 102 3HG1 VAL 102 -0.244 -14.607 2.165 755 HG21 VAL 102 1HG2 VAL 102 0.479 -12.345 3.064 756 HG22 VAL 102 2HG2 VAL 102 0.721 -11.009 1.919 757 HG23 VAL 102 3HG2 VAL 102 -0.895 -11.712 2.150 758 H ALA 103 HN ALA 103 1.714 -11.978 -1.446 759 HA ALA 103 HA ALA 103 4.314 -10.648 -1.342 760 HB1 ALA 103 1HB ALA 103 1.996 -10.560 -3.333 761 HB2 ALA 103 2HB ALA 103 3.585 -9.881 -3.604 762 HB3 ALA 103 3HB ALA 103 3.426 -11.630 -3.423 763 H ILE 104 HN ILE 104 4.613 -8.422 -1.113 764 HA ILE 104 HA ILE 104 2.379 -6.590 -0.875 765 HB ILE 104 HB ILE 104 4.509 -6.449 1.269 766 HG12 ILE 104 2HG1 ILE 104 2.575 -7.424 2.837 767 HG13 ILE 104 3HG1 ILE 104 2.164 -8.376 1.444 768 HG21 ILE 104 1HG2 ILE 104 2.639 -5.296 2.434 769 HG22 ILE 104 2HG2 ILE 104 3.026 -4.570 0.918 770 HG23 ILE 104 3HG2 ILE 104 1.594 -5.616 1.042 771 HD11 ILE 104 1HD1 ILE 104 4.621 -9.161 1.446 772 HD12 ILE 104 2HD1 ILE 104 4.778 -8.232 2.963 773 HD13 ILE 104 3HD1 ILE 104 3.668 -9.601 2.888 774 H ALA 105 HN ALA 105 3.490 -4.228 -0.762 775 HA ALA 105 HA ALA 105 5.307 -4.010 -2.965 776 HB1 ALA 105 1HB ALA 105 4.463 -1.919 -0.915 777 HB2 ALA 105 2HB ALA 105 5.104 -1.610 -2.545 778 HB3 ALA 105 3HB ALA 105 3.519 -2.374 -2.349 779 H GLU 106 HN GLU 106 7.105 -2.029 -2.386 780 HA GLU 106 HA GLU 106 9.293 -3.216 -1.199 781 HB2 GLU 106 2HB GLU 106 10.030 -0.717 -0.708 782 HB3 GLU 106 3HB GLU 106 10.019 -1.467 -2.279 783 HG2 GLU 106 2HG GLU 106 9.254 0.745 -2.492 784 HG3 GLU 106 3HG GLU 106 7.962 -0.350 -2.914 785 HA PRO 107 HA PRO 107 8.563 -3.251 3.106 786 HB2 PRO 107 2HB PRO 107 11.061 -3.714 4.107 787 HB3 PRO 107 3HB PRO 107 10.239 -4.899 3.050 788 HG2 PRO 107 2HG PRO 107 12.272 -2.793 2.236 789 HG3 PRO 107 3HG PRO 107 12.290 -4.547 1.856 790 HD2 PRO 107 2HD PRO 107 11.301 -2.662 0.137 791 HD3 PRO 107 3HD PRO 107 10.565 -4.287 0.269 792 H PHE 108 HN PHE 108 9.072 -2.280 5.113 793 HA PHE 108 HA PHE 108 9.264 0.538 5.263 794 HB2 PHE 108 2HB PHE 108 9.170 -0.061 7.772 795 HB3 PHE 108 3HB PHE 108 7.861 -0.528 6.719 796 HD1 PHE 108 1HD PHE 108 6.869 -2.422 7.501 797 HD2 PHE 108 2HD PHE 108 11.154 -2.244 7.285 798 HE1 PHE 108 1HE PHE 108 6.993 -4.874 7.920 799 HE2 PHE 108 2HE PHE 108 11.288 -4.684 7.693 800 HZ PHE 108 HZ PHE 108 9.194 -6.005 7.998 801 H SER 109 HN SER 109 11.862 -0.594 4.134 802 HA SER 109 HA SER 109 13.745 -0.775 6.297 803 HB2 SER 109 2HB SER 109 14.187 -0.330 3.322 804 HB3 SER 109 3HB SER 109 15.423 -0.823 4.505 805 HG SER 109 HG SER 109 14.520 -2.667 3.502 806 H ASN 110 HN ASN 110 15.246 0.667 7.003 807 HA ASN 110 HA ASN 110 14.325 3.020 7.856 808 HB2 ASN 110 2HB ASN 110 17.173 2.132 7.454 809 HB3 ASN 110 3HB ASN 110 16.772 3.632 8.270 810 HD21 ASN 110 1HD2 ASN 110 15.968 3.566 10.401 811 HD22 ASN 110 2HD2 ASN 110 15.826 2.071 11.314 812 H TYR 111 HN TYR 111 13.512 4.570 6.692 813 HA TYR 111 HA TYR 111 13.112 6.106 5.112 814 HB2 TYR 111 2HB TYR 111 14.776 7.935 4.990 815 HB3 TYR 111 3HB TYR 111 14.199 7.461 6.555 816 HD1 TYR 111 1HD TYR 111 17.198 6.663 4.317 817 HD2 TYR 111 2HD TYR 111 15.710 7.388 8.287 818 HE1 TYR 111 1HE TYR 111 19.476 6.435 5.204 819 HE2 TYR 111 2HE TYR 111 18.004 7.177 9.200 820 HH TYR 111 HH TYR 111 20.836 7.001 7.223 821 H ASN 112 HN ASN 112 13.744 3.727 3.835 822 HA ASN 112 HA ASN 112 14.107 2.904 1.768 823 HB2 ASN 112 2HB ASN 112 14.020 5.750 0.720 824 HB3 ASN 112 3HB ASN 112 13.754 4.267 -0.182 825 HD21 ASN 112 1HD2 ASN 112 12.180 6.797 1.470 826 HD22 ASN 112 2HD2 ASN 112 10.718 5.964 1.886 827 HA PRO 113 HA PRO 113 18.564 4.149 2.148 828 HB2 PRO 113 2HB PRO 113 19.665 1.846 3.056 829 HB3 PRO 113 3HB PRO 113 18.696 2.920 4.107 830 HG2 PRO 113 2HG PRO 113 17.773 0.400 2.700 831 HG3 PRO 113 3HG PRO 113 17.531 0.869 4.413 832 HD2 PRO 113 2HD PRO 113 15.683 1.279 2.387 833 HD3 PRO 113 3HD PRO 113 15.774 2.292 3.834 834 H PHE 114 HN PHE 114 16.928 1.774 0.357 835 HA PHE 114 HA PHE 114 19.038 0.397 -0.953 836 HB2 PHE 114 2HB PHE 114 17.106 -0.174 -2.601 837 HB3 PHE 114 3HB PHE 114 17.090 -0.786 -0.960 838 HD1 PHE 114 1HD PHE 114 15.500 1.673 -3.255 839 HD2 PHE 114 2HD PHE 114 15.415 -0.144 0.643 840 HE1 PHE 114 1HE PHE 114 13.222 2.586 -2.881 841 HE2 PHE 114 2HE PHE 114 13.088 0.719 0.993 842 HZ PHE 114 HZ PHE 114 12.006 2.080 -0.760 Start of MODEL 7 1 H THR 2 HN THR 2 11.610 -19.209 -11.900 2 HA THR 2 HA THR 2 14.435 -19.921 -12.286 3 HB THR 2 HB THR 2 14.082 -18.737 -14.490 4 HG1 THR 2 1HG THR 2 12.090 -17.664 -13.751 5 HG21 THR 2 1HG2 THR 2 12.349 -21.172 -13.842 6 HG22 THR 2 2HG2 THR 2 14.066 -21.193 -14.255 7 HG23 THR 2 3HG2 THR 2 12.880 -20.663 -15.459 8 H SER 3 HN SER 3 16.060 -18.588 -11.710 9 HA SER 3 HA SER 3 17.261 -16.758 -11.260 10 HB2 SER 3 2HB SER 3 15.226 -15.358 -13.029 11 HB3 SER 3 3HB SER 3 16.858 -14.784 -12.648 12 HG SER 3 HG SER 3 17.512 -16.991 -13.484 13 H LEU 4 HN LEU 4 17.096 -14.265 -10.641 14 HA LEU 4 HA LEU 4 15.387 -14.130 -8.217 15 HB2 LEU 4 2HB LEU 4 18.401 -13.751 -8.336 16 HB3 LEU 4 3HB LEU 4 17.419 -13.692 -6.889 17 HG LEU 4 HG LEU 4 17.816 -16.204 -8.574 18 HD11 LEU 4 1HD1 LEU 4 19.943 -15.361 -7.533 19 HD12 LEU 4 2HD1 LEU 4 19.406 -16.948 -6.907 20 HD13 LEU 4 3HD1 LEU 4 19.151 -15.477 -5.958 21 HD21 LEU 4 1HD2 LEU 4 15.759 -16.182 -7.113 22 HD22 LEU 4 2HD2 LEU 4 16.836 -15.962 -5.706 23 HD23 LEU 4 3HD2 LEU 4 16.940 -17.423 -6.689 24 H GLN 5 HN GLN 5 15.290 -12.527 -10.787 25 HA GLN 5 HA GLN 5 16.392 -9.916 -9.894 26 HB2 GLN 5 2HB GLN 5 17.376 -11.109 -11.908 27 HB3 GLN 5 3HB GLN 5 15.827 -10.886 -12.731 28 HG2 GLN 5 2HG GLN 5 16.104 -8.475 -12.715 29 HG3 GLN 5 3HG GLN 5 17.446 -8.586 -11.576 30 HE21 GLN 5 1HE2 GLN 5 19.430 -8.331 -12.527 31 HE22 GLN 5 2HE2 GLN 5 19.762 -8.645 -14.242 32 H LEU 6 HN LEU 6 13.705 -11.096 -9.161 33 HA LEU 6 HA LEU 6 11.799 -9.591 -10.661 34 HB2 LEU 6 2HB LEU 6 11.839 -11.708 -8.641 35 HB3 LEU 6 3HB LEU 6 10.652 -10.516 -8.189 36 HG LEU 6 HG LEU 6 9.677 -12.218 -9.487 37 HD11 LEU 6 1HD1 LEU 6 8.977 -9.758 -9.704 38 HD12 LEU 6 2HD1 LEU 6 8.419 -10.841 -11.008 39 HD13 LEU 6 3HD1 LEU 6 9.787 -9.732 -11.265 40 HD21 LEU 6 1HD2 LEU 6 10.253 -12.493 -11.947 41 HD22 LEU 6 2HD2 LEU 6 11.462 -13.112 -10.783 42 HD23 LEU 6 3HD2 LEU 6 11.726 -11.593 -11.610 43 H SER 7 HN SER 7 12.801 -7.464 -10.484 44 HA SER 7 HA SER 7 12.138 -6.042 -8.004 45 HB2 SER 7 2HB SER 7 12.532 -4.989 -10.848 46 HB3 SER 7 3HB SER 7 12.336 -3.988 -9.405 47 HG SER 7 HG SER 7 14.315 -5.559 -8.780 48 H ILE 8 HN ILE 8 10.303 -4.765 -7.644 49 HA ILE 8 HA ILE 8 8.059 -4.985 -9.573 50 HB ILE 8 HB ILE 8 7.791 -5.067 -6.574 51 HG12 ILE 8 2HG1 ILE 8 7.988 -7.328 -8.586 52 HG13 ILE 8 3HG1 ILE 8 8.829 -7.140 -7.051 53 HG21 ILE 8 1HG2 ILE 8 5.887 -4.080 -7.801 54 HG22 ILE 8 2HG2 ILE 8 5.742 -5.567 -8.766 55 HG23 ILE 8 3HG2 ILE 8 5.435 -5.572 -7.006 56 HD11 ILE 8 1HD1 ILE 8 6.653 -7.472 -5.906 57 HD12 ILE 8 2HD1 ILE 8 5.941 -7.851 -7.519 58 HD13 ILE 8 3HD1 ILE 8 7.233 -8.872 -6.850 59 H VAL 9 HN VAL 9 8.494 -3.030 -10.362 60 HA VAL 9 HA VAL 9 8.133 -0.754 -8.542 61 HB VAL 9 HB VAL 9 10.015 0.490 -9.792 62 HG11 VAL 9 1HG1 VAL 9 10.858 -1.801 -8.005 63 HG12 VAL 9 2HG1 VAL 9 11.749 -0.296 -8.306 64 HG13 VAL 9 3HG1 VAL 9 10.205 -0.248 -7.454 65 HG21 VAL 9 1HG2 VAL 9 10.987 -2.330 -10.454 66 HG22 VAL 9 2HG2 VAL 9 10.349 -1.173 -11.635 67 HG23 VAL 9 3HG2 VAL 9 11.838 -0.807 -10.745 68 H HIS 10 HN HIS 10 7.549 1.216 -9.625 69 HA HIS 10 HA HIS 10 7.079 1.277 -12.486 70 HB2 HIS 10 2HB HIS 10 4.538 1.950 -11.960 71 HB3 HIS 10 3HB HIS 10 5.052 0.330 -12.381 72 HD1 HIS 10 1HD HIS 10 3.544 2.192 -9.375 73 HD2 HIS 10 2HD HIS 10 5.060 -1.576 -10.531 74 HE1 HIS 10 1HE HIS 10 2.720 0.530 -7.659 75 H ARG 11 HN ARG 11 6.657 2.945 -9.240 76 HA ARG 11 HA ARG 11 7.547 5.410 -10.359 77 HB2 ARG 11 2HB ARG 11 4.915 4.973 -11.069 78 HB3 ARG 11 3HB ARG 11 4.669 5.695 -9.483 79 HG2 ARG 11 2HG ARG 11 6.018 7.672 -10.199 80 HG3 ARG 11 3HG ARG 11 6.291 6.887 -11.773 81 HD2 ARG 11 2HD ARG 11 3.793 6.801 -12.084 82 HD3 ARG 11 3HD ARG 11 3.614 7.735 -10.595 83 HE ARG 11 HE ARG 11 4.885 9.542 -11.620 84 HH11 ARG 11 1HH1 ARG 11 3.133 7.328 -13.826 85 HH12 ARG 11 2HH1 ARG 11 3.381 8.385 -15.190 86 HH21 ARG 11 1HH2 ARG 11 5.147 10.858 -13.399 87 HH22 ARG 11 2HH2 ARG 11 4.523 10.394 -14.966 88 H LEU 12 HN LEU 12 7.089 7.266 -8.567 89 HA LEU 12 HA LEU 12 6.780 5.981 -5.887 90 HB2 LEU 12 2HB LEU 12 9.039 6.816 -6.210 91 HB3 LEU 12 3HB LEU 12 8.422 8.409 -6.636 92 HG LEU 12 HG LEU 12 7.531 8.713 -4.363 93 HD11 LEU 12 1HD1 LEU 12 6.921 6.439 -3.703 94 HD12 LEU 12 2HD1 LEU 12 8.104 7.067 -2.558 95 HD13 LEU 12 3HD1 LEU 12 8.613 5.920 -3.813 96 HD21 LEU 12 1HD2 LEU 12 10.400 7.708 -4.291 97 HD22 LEU 12 2HD2 LEU 12 9.662 8.863 -3.184 98 HD23 LEU 12 3HD2 LEU 12 9.898 9.304 -4.880 99 HA PRO 13 HA PRO 13 3.218 8.832 -6.566 100 HB2 PRO 13 2HB PRO 13 1.160 7.200 -5.930 101 HB3 PRO 13 3HB PRO 13 2.005 7.081 -7.506 102 HG2 PRO 13 2HG PRO 13 2.495 5.409 -5.007 103 HG3 PRO 13 3HG PRO 13 2.231 4.839 -6.689 104 HD2 PRO 13 2HD PRO 13 4.722 5.181 -5.579 105 HD3 PRO 13 3HD PRO 13 4.399 5.433 -7.309 106 H GLN 14 HN GLN 14 4.409 9.832 -4.854 107 HA GLN 14 HA GLN 14 3.349 9.342 -2.092 108 HB2 GLN 14 2HB GLN 14 5.296 10.399 -1.266 109 HB3 GLN 14 3HB GLN 14 5.785 9.105 -2.366 110 HG2 GLN 14 2HG GLN 14 6.225 10.725 -4.166 111 HG3 GLN 14 3HG GLN 14 5.738 12.050 -3.123 112 HE21 GLN 14 1HE2 GLN 14 8.350 11.477 -4.451 113 HE22 GLN 14 2HE2 GLN 14 9.562 11.445 -3.182 114 H ASN 15 HN ASN 15 3.504 11.647 -0.884 115 HA ASN 15 HA ASN 15 2.368 13.400 -0.481 116 HB2 ASN 15 2HB ASN 15 4.701 13.777 -1.823 117 HB3 ASN 15 3HB ASN 15 3.667 14.849 -2.766 118 HD21 ASN 15 1HD2 ASN 15 4.630 13.944 0.582 119 HD22 ASN 15 2HD2 ASN 15 4.491 15.586 1.223 120 H TYR 16 HN TYR 16 0.272 12.522 -0.948 121 HA TYR 16 HA TYR 16 -1.192 14.315 -2.644 122 HB2 TYR 16 2HB TYR 16 -2.152 12.694 -4.096 123 HB3 TYR 16 3HB TYR 16 -0.435 12.539 -4.242 124 HD1 TYR 16 1HD TYR 16 -3.356 10.919 -4.075 125 HD2 TYR 16 2HD TYR 16 0.617 10.622 -2.433 126 HE1 TYR 16 1HE TYR 16 -3.809 8.594 -3.452 127 HE2 TYR 16 2HE TYR 16 0.231 8.262 -1.919 128 HH TYR 16 HH TYR 16 -1.575 6.666 -1.409 129 H ARG 17 HN ARG 17 -3.640 13.578 -2.314 130 HA ARG 17 HA ARG 17 -4.184 12.255 0.225 131 HB2 ARG 17 2HB ARG 17 -5.084 14.229 1.315 132 HB3 ARG 17 3HB ARG 17 -3.378 14.442 0.954 133 HG2 ARG 17 2HG ARG 17 -3.992 15.883 -1.014 134 HG3 ARG 17 3HG ARG 17 -5.704 15.660 -0.592 135 HD2 ARG 17 2HD ARG 17 -4.827 16.448 1.823 136 HD3 ARG 17 3HD ARG 17 -3.555 17.201 0.849 137 HE ARG 17 HE ARG 17 -6.064 17.825 -0.304 138 HH11 ARG 17 1HH1 ARG 17 -4.372 18.531 2.790 139 HH12 ARG 17 2HH1 ARG 17 -5.325 19.941 3.092 140 HH21 ARG 17 1HH2 ARG 17 -7.374 19.521 0.229 141 HH22 ARG 17 2HH2 ARG 17 -7.216 20.363 1.748 142 H TRP 18 HN TRP 18 -6.805 12.826 0.652 143 HA TRP 18 HA TRP 18 -8.140 12.009 -1.810 144 HB2 TRP 18 2HB TRP 18 -9.618 13.081 0.585 145 HB3 TRP 18 3HB TRP 18 -10.058 11.837 -0.582 146 HD1 TRP 18 1HD TRP 18 -9.445 12.085 2.862 147 HE1 TRP 18 1HE TRP 18 -8.707 9.871 3.916 148 HE3 TRP 18 3HE TRP 18 -8.170 9.499 -1.390 149 HZ2 TRP 18 2HZ TRP 18 -7.741 7.329 3.043 150 HZ3 TRP 18 3HZ TRP 18 -7.497 7.130 -1.243 151 HH2 TRP 18 2HH TRP 18 -7.276 6.024 0.964 152 H SER 19 HN SER 19 -10.064 13.365 -2.737 153 HA SER 19 HA SER 19 -9.177 16.187 -2.885 154 HB2 SER 19 2HB SER 19 -9.573 14.404 -4.848 155 HB3 SER 19 3HB SER 19 -11.225 14.927 -4.686 156 HG SER 19 HG SER 19 -9.158 16.862 -4.959 157 H ALA 20 HN ALA 20 -10.768 15.028 -0.643 158 HA ALA 20 HA ALA 20 -12.612 15.383 0.611 159 HB1 ALA 20 1HB ALA 20 -11.329 17.445 0.958 160 HB2 ALA 20 2HB ALA 20 -12.150 18.215 -0.421 161 HB3 ALA 20 3HB ALA 20 -13.060 17.772 1.048 162 H GLY 21 HN GLY 21 -13.485 14.085 -1.398 163 HA2 GLY 21 2HA GLY 21 -16.205 15.102 -1.735 164 HA3 GLY 21 1HA GLY 21 -15.320 14.860 -3.237 165 H PHE 22 HN PHE 22 -13.873 12.417 -2.377 166 HA PHE 22 HA PHE 22 -15.987 10.440 -1.920 167 HB2 PHE 22 2HB PHE 22 -14.549 10.051 -4.543 168 HB3 PHE 22 3HB PHE 22 -16.049 9.452 -4.040 169 HD1 PHE 22 1HD PHE 22 -18.079 10.941 -4.448 170 HD2 PHE 22 2HD PHE 22 -14.090 12.343 -5.389 171 HE1 PHE 22 1HE PHE 22 -19.027 12.856 -5.675 172 HE2 PHE 22 2HE PHE 22 -15.049 14.106 -6.786 173 HZ PHE 22 HZ PHE 22 -17.530 14.430 -6.912 174 H ALA 23 HN ALA 23 -14.067 10.549 -0.120 175 HA ALA 23 HA ALA 23 -11.441 9.954 -0.672 176 HB1 ALA 23 1HB ALA 23 -11.249 8.974 1.595 177 HB2 ALA 23 2HB ALA 23 -12.139 10.507 1.559 178 HB3 ALA 23 3HB ALA 23 -13.022 8.958 1.704 179 H GLY 24 HN GLY 24 -13.907 7.349 -0.562 180 HA2 GLY 24 2HA GLY 24 -11.978 5.261 -0.546 181 HA3 GLY 24 1HA GLY 24 -13.663 5.106 -1.096 182 H SER 25 HN SER 25 -13.439 7.144 -3.258 183 HA SER 25 HA SER 25 -11.532 5.820 -5.135 184 HB2 SER 25 2HB SER 25 -14.532 6.124 -5.349 185 HB3 SER 25 3HB SER 25 -13.527 6.048 -6.792 186 HG SER 25 HG SER 25 -13.699 4.066 -4.725 187 H LYS 26 HN LYS 26 -10.795 8.160 -3.922 188 HA LYS 26 HA LYS 26 -10.729 9.954 -6.230 189 HB2 LYS 26 2HB LYS 26 -12.723 10.730 -5.142 190 HB3 LYS 26 3HB LYS 26 -11.857 10.988 -3.615 191 HG2 LYS 26 2HG LYS 26 -12.095 13.042 -4.686 192 HG3 LYS 26 3HG LYS 26 -10.414 12.571 -4.911 193 HD2 LYS 26 2HD LYS 26 -11.814 11.554 -7.182 194 HD3 LYS 26 3HD LYS 26 -12.486 13.160 -6.896 195 HE2 LYS 26 2HE LYS 26 -10.135 14.038 -6.796 196 HE3 LYS 26 3HE LYS 26 -9.533 12.444 -7.253 197 HZ1 LYS 26 1HZ LYS 26 -11.399 14.043 -8.890 198 HZ2 LYS 26 2HZ LYS 26 -10.743 12.622 -9.325 199 HZ3 LYS 26 3HZ LYS 26 -9.771 13.952 -9.139 200 H VAL 27 HN VAL 27 -8.669 10.703 -6.378 201 HA VAL 27 HA VAL 27 -7.262 11.422 -3.897 202 HB VAL 27 HB VAL 27 -5.190 10.431 -4.976 203 HG11 VAL 27 1HG1 VAL 27 -7.440 8.489 -4.323 204 HG12 VAL 27 2HG1 VAL 27 -5.738 8.068 -4.380 205 HG13 VAL 27 3HG1 VAL 27 -6.331 9.242 -3.164 206 HG21 VAL 27 1HG2 VAL 27 -6.032 10.277 -7.324 207 HG22 VAL 27 2HG2 VAL 27 -5.373 8.745 -6.708 208 HG23 VAL 27 3HG2 VAL 27 -7.118 8.970 -6.816 209 H GLU 28 HN GLU 28 -5.556 12.993 -4.177 210 HA GLU 28 HA GLU 28 -5.263 14.264 -6.734 211 HB2 GLU 28 2HB GLU 28 -5.636 16.540 -6.003 212 HB3 GLU 28 3HB GLU 28 -7.108 15.556 -6.102 213 HG2 GLU 28 2HG GLU 28 -7.152 15.205 -3.782 214 HG3 GLU 28 3HG GLU 28 -5.533 15.872 -3.561 215 HA PRO 29 HA PRO 29 -1.132 14.530 -5.009 216 HB2 PRO 29 2HB PRO 29 -0.067 16.625 -6.488 217 HB3 PRO 29 3HB PRO 29 -0.233 14.935 -7.042 218 HG2 PRO 29 2HG PRO 29 -2.091 17.270 -7.561 219 HG3 PRO 29 3HG PRO 29 -1.500 16.030 -8.715 220 HD2 PRO 29 2HD PRO 29 -3.950 15.851 -7.605 221 HD3 PRO 29 3HD PRO 29 -2.957 14.374 -7.804 222 H ILE 30 HN ILE 30 0.273 15.901 -3.736 223 HA ILE 30 HA ILE 30 -1.017 18.233 -2.414 224 HB ILE 30 HB ILE 30 1.403 16.467 -1.707 225 HG12 ILE 30 2HG1 ILE 30 -1.048 17.109 -0.019 226 HG13 ILE 30 3HG1 ILE 30 -0.953 15.714 -1.076 227 HG21 ILE 30 1HG2 ILE 30 1.560 18.078 0.304 228 HG22 ILE 30 2HG2 ILE 30 2.035 18.792 -1.218 229 HG23 ILE 30 3HG2 ILE 30 0.424 19.135 -0.560 230 HD11 ILE 30 1HD1 ILE 30 0.762 16.285 1.371 231 HD12 ILE 30 2HD1 ILE 30 -0.271 14.869 1.027 232 HD13 ILE 30 3HD1 ILE 30 1.255 15.112 0.146 233 HA PRO 31 HA PRO 31 1.972 20.179 -5.345 234 HB2 PRO 31 2HB PRO 31 0.685 22.442 -5.941 235 HB3 PRO 31 3HB PRO 31 0.118 20.869 -6.585 236 HG2 PRO 31 2HG PRO 31 -0.940 22.377 -4.165 237 HG3 PRO 31 3HG PRO 31 -1.863 21.680 -5.508 238 HD2 PRO 31 2HD PRO 31 -1.433 20.383 -3.103 239 HD3 PRO 31 3HD PRO 31 -1.650 19.537 -4.660 240 H GLN 32 HN GLN 32 3.310 20.238 -3.324 241 HA GLN 32 HA GLN 32 4.534 21.340 -1.729 242 HB2 GLN 32 2HB GLN 32 4.747 22.743 -3.901 243 HB3 GLN 32 3HB GLN 32 3.644 23.883 -3.130 244 HG2 GLN 32 2HG GLN 32 5.595 23.489 -1.183 245 HG3 GLN 32 3HG GLN 32 6.518 23.390 -2.673 246 HE21 GLN 32 1HE2 GLN 32 5.316 25.329 -4.354 247 HE22 GLN 32 2HE2 GLN 32 5.354 26.890 -3.554 248 H ASN 33 HN ASN 33 1.912 20.707 -0.860 249 HA ASN 33 HA ASN 33 1.402 22.851 1.170 250 HB2 ASN 33 2HB ASN 33 -0.659 20.958 -0.037 251 HB3 ASN 33 3HB ASN 33 -0.895 21.929 1.402 252 HD21 ASN 33 1HD2 ASN 33 0.330 22.655 -1.964 253 HD22 ASN 33 2HD2 ASN 33 -0.919 23.733 -2.305 254 H GLY 34 HN GLY 34 3.399 21.407 1.977 255 HA2 GLY 34 2HA GLY 34 3.121 18.715 2.497 256 HA3 GLY 34 1HA GLY 34 4.167 19.796 3.429 257 HA PRO 35 HA PRO 35 0.300 18.218 5.765 258 HB2 PRO 35 2HB PRO 35 1.069 15.909 7.010 259 HB3 PRO 35 3HB PRO 35 0.531 15.945 5.303 260 HG2 PRO 35 2HG PRO 35 3.382 16.003 6.353 261 HG3 PRO 35 3HG PRO 35 2.695 14.932 5.090 262 HD2 PRO 35 2HD PRO 35 4.038 17.225 4.469 263 HD3 PRO 35 3HD PRO 35 2.631 16.685 3.511 264 H CYS 36 HN CYS 36 -0.054 18.081 8.186 265 HA CYS 36 HA CYS 36 1.771 19.762 9.666 266 HB2 CYS 36 2HB CYS 36 -0.654 18.136 10.527 267 HB3 CYS 36 3HB CYS 36 0.249 19.253 11.568 268 HG CYS 36 HG CYS 36 -0.861 20.100 8.553 269 H GLY 37 HN GLY 37 0.870 16.259 9.996 270 HA2 GLY 37 2HA GLY 37 3.607 15.719 11.066 271 HA3 GLY 37 1HA GLY 37 2.158 15.155 11.911 272 H ASP 38 HN ASP 38 3.760 15.120 8.714 273 HA ASP 38 HA ASP 38 4.026 13.591 7.104 274 HB2 ASP 38 2HB ASP 38 4.255 12.061 9.695 275 HB3 ASP 38 3HB ASP 38 4.426 11.228 8.165 276 H ASN 39 HN ASN 39 1.218 13.995 7.996 277 HA ASN 39 HA ASN 39 -0.426 11.718 7.398 278 HB2 ASN 39 2HB ASN 39 -1.205 14.668 7.383 279 HB3 ASN 39 3HB ASN 39 -2.278 13.290 7.555 280 HD21 ASN 39 1HD2 ASN 39 -1.145 15.735 9.317 281 HD22 ASN 39 2HD2 ASN 39 -0.943 14.976 10.899 282 H SER 40 HN SER 40 1.398 12.087 5.257 283 HA SER 40 HA SER 40 -0.084 12.934 2.877 284 HB2 SER 40 2HB SER 40 2.436 11.350 3.532 285 HB3 SER 40 3HB SER 40 1.851 11.581 1.864 286 HG SER 40 HG SER 40 3.484 13.129 2.920 287 H LEU 41 HN LEU 41 -0.420 11.016 1.286 288 HA LEU 41 HA LEU 41 -1.204 8.503 2.663 289 HB2 LEU 41 2HB LEU 41 -2.334 9.702 0.101 290 HB3 LEU 41 3HB LEU 41 -2.689 8.086 0.719 291 HG LEU 41 HG LEU 41 -3.333 10.711 2.131 292 HD11 LEU 41 1HD1 LEU 41 -4.737 10.130 0.088 293 HD12 LEU 41 2HD1 LEU 41 -5.618 10.351 1.618 294 HD13 LEU 41 3HD1 LEU 41 -5.306 8.733 1.003 295 HD21 LEU 41 1HD2 LEU 41 -3.876 7.811 2.886 296 HD22 LEU 41 2HD2 LEU 41 -4.718 9.188 3.646 297 HD23 LEU 41 3HD2 LEU 41 -2.969 9.023 3.823 298 H VAL 42 HN VAL 42 -0.609 6.631 1.315 299 HA VAL 42 HA VAL 42 1.469 7.124 -0.767 300 HB VAL 42 HB VAL 42 2.822 5.317 0.133 301 HG11 VAL 42 1HG1 VAL 42 3.810 6.593 1.976 302 HG12 VAL 42 2HG1 VAL 42 3.371 7.646 0.620 303 HG13 VAL 42 3HG1 VAL 42 2.341 7.595 2.066 304 HG21 VAL 42 1HG2 VAL 42 0.740 5.198 2.323 305 HG22 VAL 42 2HG2 VAL 42 1.646 3.905 1.475 306 HG23 VAL 42 3HG2 VAL 42 2.438 4.879 2.702 307 H ALA 43 HN ALA 43 1.556 5.332 -2.382 308 HA ALA 43 HA ALA 43 -0.943 3.714 -2.416 309 HB1 ALA 43 1HB ALA 43 -1.019 4.132 -4.885 310 HB2 ALA 43 2HB ALA 43 -1.399 5.556 -3.926 311 HB3 ALA 43 3HB ALA 43 0.198 5.405 -4.674 312 H LEU 44 HN LEU 44 -0.734 1.709 -3.303 313 HA LEU 44 HA LEU 44 1.991 0.798 -4.123 314 HB2 LEU 44 2HB LEU 44 0.202 -0.540 -2.052 315 HB3 LEU 44 3HB LEU 44 1.588 -1.287 -2.794 316 HG LEU 44 HG LEU 44 2.211 -0.677 -0.656 317 HD11 LEU 44 1HD1 LEU 44 3.492 1.409 -2.460 318 HD12 LEU 44 2HD1 LEU 44 3.934 -0.309 -2.406 319 HD13 LEU 44 3HD1 LEU 44 4.166 0.710 -0.979 320 HD21 LEU 44 1HD2 LEU 44 0.449 1.183 -0.398 321 HD22 LEU 44 2HD2 LEU 44 1.713 2.276 -1.009 322 HD23 LEU 44 3HD2 LEU 44 1.997 1.345 0.453 323 H LYS 45 HN LYS 45 1.831 -1.470 -4.966 324 HA LYS 45 HA LYS 45 -0.753 -2.331 -5.982 325 HB2 LYS 45 2HB LYS 45 0.942 -1.247 -7.841 326 HB3 LYS 45 3HB LYS 45 1.694 -2.832 -7.681 327 HG2 LYS 45 2HG LYS 45 0.170 -3.141 -9.450 328 HG3 LYS 45 3HG LYS 45 -0.717 -3.775 -8.078 329 HD2 LYS 45 2HD LYS 45 -2.314 -2.439 -9.069 330 HD3 LYS 45 3HD LYS 45 -1.652 -1.338 -7.856 331 HE2 LYS 45 2HE LYS 45 -0.082 -0.496 -9.712 332 HE3 LYS 45 3HE LYS 45 -1.062 -1.435 -10.846 333 HZ1 LYS 45 1HZ LYS 45 -3.008 -0.083 -10.105 334 HZ2 LYS 45 2HZ LYS 45 -1.822 0.767 -10.808 335 HZ3 LYS 45 3HZ LYS 45 -1.958 0.812 -9.162 336 H LEU 46 HN LEU 46 -0.337 -4.762 -6.564 337 HA LEU 46 HA LEU 46 2.080 -5.862 -5.333 338 HB2 LEU 46 2HB LEU 46 0.999 -7.971 -4.845 339 HB3 LEU 46 3HB LEU 46 0.157 -6.686 -3.993 340 HG LEU 46 HG LEU 46 -1.333 -6.745 -6.284 341 HD11 LEU 46 1HD1 LEU 46 -0.486 -9.654 -5.857 342 HD12 LEU 46 2HD1 LEU 46 -0.137 -8.685 -7.298 343 HD13 LEU 46 3HD1 LEU 46 -1.801 -9.092 -6.914 344 HD21 LEU 46 1HD2 LEU 46 -2.140 -6.917 -3.950 345 HD22 LEU 46 2HD2 LEU 46 -1.850 -8.686 -4.048 346 HD23 LEU 46 3HD2 LEU 46 -3.017 -7.898 -5.123 347 H LEU 47 HN LEU 47 2.947 -7.542 -6.818 348 HA LEU 47 HA LEU 47 1.523 -8.044 -9.289 349 HB2 LEU 47 2HB LEU 47 3.248 -5.796 -9.295 350 HB3 LEU 47 3HB LEU 47 4.234 -7.063 -9.975 351 HG LEU 47 HG LEU 47 3.150 -5.782 -11.703 352 HD11 LEU 47 1HD1 LEU 47 2.096 -7.468 -13.044 353 HD12 LEU 47 2HD1 LEU 47 1.757 -8.476 -11.627 354 HD13 LEU 47 3HD1 LEU 47 3.441 -8.196 -12.159 355 HD21 LEU 47 1HD2 LEU 47 0.430 -6.619 -10.645 356 HD22 LEU 47 2HD2 LEU 47 0.782 -5.651 -12.087 357 HD23 LEU 47 3HD2 LEU 47 1.164 -5.013 -10.465 358 H SER 48 HN SER 48 3.161 -9.371 -10.778 359 HA SER 48 HA SER 48 3.706 -11.783 -9.813 360 HB2 SER 48 2HB SER 48 5.295 -10.195 -11.818 361 HB3 SER 48 3HB SER 48 5.227 -11.976 -11.767 362 HG SER 48 HG SER 48 3.249 -11.965 -12.556 363 HA PRO 49 HA PRO 49 5.791 -13.551 -9.977 364 HB2 PRO 49 2HB PRO 49 6.306 -15.162 -7.804 365 HB3 PRO 49 3HB PRO 49 7.561 -14.375 -8.794 366 HG2 PRO 49 2HG PRO 49 6.396 -13.406 -6.168 367 HG3 PRO 49 3HG PRO 49 8.124 -13.587 -6.610 368 HD2 PRO 49 2HD PRO 49 6.871 -11.194 -6.828 369 HD3 PRO 49 3HD PRO 49 8.045 -11.711 -8.063 370 H ASP 50 HN ASP 50 4.234 -12.465 -7.021 371 HA ASP 50 HA ASP 50 2.170 -14.584 -7.113 372 HB2 ASP 50 2HB ASP 50 3.394 -13.599 -5.066 373 HB3 ASP 50 3HB ASP 50 2.252 -12.253 -5.184 374 H GLY 51 HN GLY 51 -0.166 -13.565 -6.496 375 HA2 GLY 51 2HA GLY 51 -0.980 -11.147 -7.800 376 HA3 GLY 51 1HA GLY 51 -1.343 -12.549 -8.812 377 H ASP 52 HN ASP 52 -3.140 -13.640 -8.372 378 HA ASP 52 HA ASP 52 -5.269 -12.905 -7.035 379 HB2 ASP 52 2HB ASP 52 -5.350 -14.601 -8.649 380 HB3 ASP 52 3HB ASP 52 -4.248 -15.639 -7.760 381 H ASN 53 HN ASN 53 -2.925 -15.173 -5.439 382 HA ASN 53 HA ASN 53 -4.592 -15.420 -3.076 383 HB2 ASN 53 2HB ASN 53 -2.843 -17.064 -3.661 384 HB3 ASN 53 3HB ASN 53 -1.585 -15.863 -3.357 385 HD21 ASN 53 1HD2 ASN 53 -0.919 -17.771 -1.939 386 HD22 ASN 53 2HD2 ASN 53 -1.602 -17.762 -0.319 387 H ALA 54 HN ALA 54 -1.643 -13.475 -3.792 388 HA ALA 54 HA ALA 54 -1.600 -12.172 -1.248 389 HB1 ALA 54 1HB ALA 54 -0.470 -11.271 -3.944 390 HB2 ALA 54 2HB ALA 54 -0.022 -10.605 -2.358 391 HB3 ALA 54 3HB ALA 54 0.374 -12.276 -2.750 392 H TRP 55 HN TRP 55 -3.302 -11.444 -4.254 393 HA TRP 55 HA TRP 55 -4.405 -8.914 -3.527 394 HB2 TRP 55 2HB TRP 55 -4.517 -9.603 -5.768 395 HB3 TRP 55 3HB TRP 55 -5.292 -11.133 -5.378 396 HD1 TRP 55 1HD TRP 55 -7.619 -11.111 -6.225 397 HE1 TRP 55 1HE TRP 55 -9.606 -9.463 -6.301 398 HE3 TRP 55 3HE TRP 55 -5.399 -7.046 -4.033 399 HZ2 TRP 55 2HZ TRP 55 -10.054 -6.669 -5.724 400 HZ3 TRP 55 3HZ TRP 55 -6.479 -4.883 -4.074 401 HH2 TRP 55 2HH TRP 55 -8.840 -4.639 -4.911 402 H SER 56 HN SER 56 -5.940 -12.193 -3.238 403 HA SER 56 HA SER 56 -8.199 -11.225 -1.931 404 HB2 SER 56 2HB SER 56 -6.810 -13.924 -1.521 405 HB3 SER 56 3HB SER 56 -8.499 -13.560 -1.128 406 HG SER 56 HG SER 56 -8.095 -14.620 -3.164 407 H VAL 57 HN VAL 57 -5.234 -12.635 -0.450 408 HA VAL 57 HA VAL 57 -5.994 -12.232 2.220 409 HB VAL 57 HB VAL 57 -3.198 -12.303 1.001 410 HG11 VAL 57 1HG1 VAL 57 -4.085 -13.065 3.828 411 HG12 VAL 57 2HG1 VAL 57 -2.428 -13.026 3.154 412 HG13 VAL 57 3HG1 VAL 57 -3.309 -11.528 3.432 413 HG21 VAL 57 1HG2 VAL 57 -4.606 -14.348 0.469 414 HG22 VAL 57 2HG2 VAL 57 -3.265 -14.717 1.543 415 HG23 VAL 57 3HG2 VAL 57 -4.914 -14.555 2.186 416 H MET 58 HN MET 58 -4.301 -9.899 -0.031 417 HA MET 58 HA MET 58 -3.825 -7.960 1.990 418 HB2 MET 58 2HB MET 58 -2.759 -7.897 -0.160 419 HB3 MET 58 3HB MET 58 -4.300 -7.579 -0.987 420 HG2 MET 58 2HG MET 58 -4.433 -5.403 0.206 421 HG3 MET 58 3HG MET 58 -2.952 -5.798 1.081 422 HE1 MET 58 1HE MET 58 -3.963 -6.144 -2.779 423 HE2 MET 58 2HE MET 58 -4.571 -4.584 -2.214 424 HE3 MET 58 3HE MET 58 -3.242 -4.639 -3.394 425 H TYR 59 HN TYR 59 -6.675 -8.287 -0.276 426 HA TYR 59 HA TYR 59 -8.061 -6.085 0.860 427 HB2 TYR 59 2HB TYR 59 -8.673 -7.103 -1.301 428 HB3 TYR 59 3HB TYR 59 -9.138 -8.586 -0.485 429 HD1 TYR 59 1HD TYR 59 -9.963 -4.975 0.415 430 HD2 TYR 59 2HD TYR 59 -11.429 -8.835 -0.831 431 HE1 TYR 59 1HE TYR 59 -12.247 -4.173 0.694 432 HE2 TYR 59 2HE TYR 59 -13.749 -8.068 -0.490 433 HH TYR 59 HH TYR 59 -15.114 -6.338 0.213 434 H LYS 60 HN LYS 60 -8.146 -9.575 1.739 435 HA LYS 60 HA LYS 60 -10.135 -9.412 3.695 436 HB2 LYS 60 2HB LYS 60 -7.676 -11.215 3.588 437 HB3 LYS 60 3HB LYS 60 -9.031 -11.425 4.666 438 HG2 LYS 60 2HG LYS 60 -10.140 -11.213 2.022 439 HG3 LYS 60 3HG LYS 60 -8.723 -12.234 1.921 440 HD2 LYS 60 2HD LYS 60 -11.168 -12.700 3.613 441 HD3 LYS 60 3HD LYS 60 -10.578 -13.620 2.216 442 HE2 LYS 60 2HE LYS 60 -9.615 -15.015 3.679 443 HE3 LYS 60 3HE LYS 60 -8.395 -13.750 3.901 444 HZ1 LYS 60 1HZ LYS 60 -9.230 -14.393 6.004 445 HZ2 LYS 60 2HZ LYS 60 -10.802 -14.251 5.529 446 HZ3 LYS 60 3HZ LYS 60 -9.862 -12.899 5.737 447 H LEU 61 HN LEU 61 -6.593 -8.985 4.055 448 HA LEU 61 HA LEU 61 -6.728 -8.557 6.913 449 HB2 LEU 61 2HB LEU 61 -4.609 -8.368 4.791 450 HB3 LEU 61 3HB LEU 61 -4.388 -7.343 6.184 451 HG LEU 61 HG LEU 61 -3.249 -9.544 6.361 452 HD11 LEU 61 1HD1 LEU 61 -5.315 -9.066 8.534 453 HD12 LEU 61 2HD1 LEU 61 -3.766 -8.218 8.358 454 HD13 LEU 61 3HD1 LEU 61 -3.788 -9.959 8.686 455 HD21 LEU 61 1HD2 LEU 61 -6.009 -10.746 6.712 456 HD22 LEU 61 2HD2 LEU 61 -4.443 -11.575 6.853 457 HD23 LEU 61 3HD2 LEU 61 -4.977 -10.944 5.283 458 H SER 62 HN SER 62 -6.650 -6.366 4.047 459 HA SER 62 HA SER 62 -6.547 -3.936 5.427 460 HB2 SER 62 2HB SER 62 -7.887 -4.762 2.832 461 HB3 SER 62 3HB SER 62 -7.790 -3.085 3.359 462 HG SER 62 HG SER 62 -5.599 -3.158 3.257 463 H GLN 63 HN GLN 63 -9.544 -5.832 4.541 464 HA GLN 63 HA GLN 63 -11.345 -4.041 5.877 465 HB2 GLN 63 2HB GLN 63 -11.423 -7.041 5.302 466 HB3 GLN 63 3HB GLN 63 -12.745 -6.195 6.080 467 HG2 GLN 63 2HG GLN 63 -11.667 -5.501 3.320 468 HG3 GLN 63 3HG GLN 63 -13.035 -6.561 3.609 469 HE21 GLN 63 1HE2 GLN 63 -14.625 -5.331 5.459 470 HE22 GLN 63 2HE2 GLN 63 -15.035 -3.697 5.033 471 H ALA 64 HN ALA 64 -9.626 -6.998 7.010 472 HA ALA 64 HA ALA 64 -10.760 -6.962 9.605 473 HB1 ALA 64 1HB ALA 64 -9.626 -8.926 8.539 474 HB2 ALA 64 2HB ALA 64 -8.066 -8.117 8.780 475 HB3 ALA 64 3HB ALA 64 -9.043 -8.579 10.179 476 H LEU 65 HN LEU 65 -8.114 -5.079 8.316 477 HA LEU 65 HA LEU 65 -7.010 -4.248 10.877 478 HB2 LEU 65 2HB LEU 65 -6.475 -3.665 7.945 479 HB3 LEU 65 3HB LEU 65 -5.688 -2.747 9.199 480 HG LEU 65 HG LEU 65 -5.463 -5.780 9.123 481 HD11 LEU 65 1HD1 LEU 65 -3.780 -3.640 7.768 482 HD12 LEU 65 2HD1 LEU 65 -4.625 -4.977 7.003 483 HD13 LEU 65 3HD1 LEU 65 -3.222 -5.322 8.030 484 HD21 LEU 65 1HD2 LEU 65 -3.855 -3.580 10.479 485 HD22 LEU 65 2HD2 LEU 65 -3.409 -5.293 10.472 486 HD23 LEU 65 3HD2 LEU 65 -4.900 -4.777 11.268 487 H SER 66 HN SER 66 -9.015 -2.755 8.205 488 HA SER 66 HA SER 66 -9.094 -0.190 9.472 489 HB2 SER 66 2HB SER 66 -10.794 0.347 7.868 490 HB3 SER 66 3HB SER 66 -9.495 -0.548 7.071 491 HG SER 66 HG SER 66 -12.143 -1.197 7.474 492 H ASP 67 HN ASP 67 -10.956 -3.136 9.820 493 HA ASP 67 HA ASP 67 -12.951 -2.231 11.582 494 HB2 ASP 67 2HB ASP 67 -12.764 -4.466 10.512 495 HB3 ASP 67 3HB ASP 67 -11.383 -4.824 11.551 496 H ILE 68 HN ILE 68 -9.531 -2.545 12.244 497 HA ILE 68 HA ILE 68 -9.954 -2.620 15.143 498 HB ILE 68 HB ILE 68 -7.266 -2.475 13.714 499 HG12 ILE 68 2HG1 ILE 68 -8.255 -4.289 12.665 500 HG13 ILE 68 3HG1 ILE 68 -7.098 -4.899 13.818 501 HG21 ILE 68 1HG2 ILE 68 -7.206 -2.049 16.084 502 HG22 ILE 68 2HG2 ILE 68 -8.179 -3.493 16.405 503 HG23 ILE 68 3HG2 ILE 68 -6.527 -3.670 15.777 504 HD11 ILE 68 1HD1 ILE 68 -9.013 -5.470 15.367 505 HD12 ILE 68 2HD1 ILE 68 -10.151 -4.973 14.078 506 HD13 ILE 68 3HD1 ILE 68 -9.043 -6.333 13.845 507 H GLU 69 HN GLU 69 -7.922 -0.672 12.946 508 HA GLU 69 HA GLU 69 -8.692 1.896 14.035 509 HB2 GLU 69 2HB GLU 69 -6.667 2.444 15.256 510 HB3 GLU 69 3HB GLU 69 -7.447 1.055 15.984 511 HG2 GLU 69 2HG GLU 69 -5.891 -0.435 14.662 512 HG3 GLU 69 3HG GLU 69 -5.079 1.040 14.127 513 H VAL 70 HN VAL 70 -7.738 0.200 11.418 514 HA VAL 70 HA VAL 70 -5.670 2.165 10.517 515 HB VAL 70 HB VAL 70 -5.577 -0.831 10.137 516 HG11 VAL 70 1HG1 VAL 70 -3.373 1.251 9.868 517 HG12 VAL 70 2HG1 VAL 70 -3.384 -0.461 9.363 518 HG13 VAL 70 3HG1 VAL 70 -4.370 0.729 8.504 519 HG21 VAL 70 1HG2 VAL 70 -4.087 0.839 12.163 520 HG22 VAL 70 2HG2 VAL 70 -5.219 -0.522 12.478 521 HG23 VAL 70 3HG2 VAL 70 -3.664 -0.817 11.719 522 HA PRO 71 HA PRO 71 -8.964 1.719 7.311 523 HB2 PRO 71 2HB PRO 71 -9.130 4.292 6.464 524 HB3 PRO 71 3HB PRO 71 -9.866 3.761 8.005 525 HG2 PRO 71 2HG PRO 71 -7.154 5.069 7.600 526 HG3 PRO 71 3HG PRO 71 -8.446 5.534 8.767 527 HD2 PRO 71 2HD PRO 71 -6.338 3.965 9.482 528 HD3 PRO 71 3HD PRO 71 -7.970 3.707 10.163 529 H CYS 72 HN CYS 72 -8.710 1.553 5.045 530 HA CYS 72 HA CYS 72 -6.719 2.886 3.550 531 HB2 CYS 72 2HB CYS 72 -5.540 0.845 2.714 532 HB3 CYS 72 3HB CYS 72 -5.218 1.091 4.442 533 HG CYS 72 HG CYS 72 -6.502 -0.759 5.391 534 H SER 73 HN SER 73 -6.828 1.979 1.257 535 HA SER 73 HA SER 73 -9.659 1.230 0.670 536 HB2 SER 73 2HB SER 73 -7.955 3.239 -0.795 537 HB3 SER 73 3HB SER 73 -9.672 2.914 -1.013 538 HG SER 73 HG SER 73 -10.175 3.761 0.922 539 H VAL 74 HN VAL 74 -9.781 -0.494 -0.659 540 HA VAL 74 HA VAL 74 -7.333 -1.373 -2.089 541 HB VAL 74 HB VAL 74 -9.631 -3.072 -1.049 542 HG11 VAL 74 1HG1 VAL 74 -8.184 -4.114 -2.681 543 HG12 VAL 74 2HG1 VAL 74 -6.725 -3.690 -1.761 544 HG13 VAL 74 3HG1 VAL 74 -7.887 -4.860 -1.112 545 HG21 VAL 74 1HG2 VAL 74 -7.160 -2.272 0.531 546 HG22 VAL 74 2HG2 VAL 74 -8.848 -2.022 0.968 547 HG23 VAL 74 3HG2 VAL 74 -8.193 -3.653 0.907 548 H LEU 75 HN LEU 75 -7.596 -1.012 -4.281 549 HA LEU 75 HA LEU 75 -10.352 -1.219 -5.402 550 HB2 LEU 75 2HB LEU 75 -8.257 0.795 -6.261 551 HB3 LEU 75 3HB LEU 75 -9.850 0.589 -6.950 552 HG LEU 75 HG LEU 75 -9.167 1.679 -4.193 553 HD11 LEU 75 1HD1 LEU 75 -10.068 3.772 -5.059 554 HD12 LEU 75 2HD1 LEU 75 -10.520 2.991 -6.591 555 HD13 LEU 75 3HD1 LEU 75 -8.813 3.189 -6.171 556 HD21 LEU 75 1HD2 LEU 75 -11.587 2.203 -3.971 557 HD22 LEU 75 2HD2 LEU 75 -11.281 0.456 -3.965 558 HD23 LEU 75 3HD2 LEU 75 -11.921 1.245 -5.427 559 H GLU 76 HN GLU 76 -10.150 -1.509 -7.884 560 HA GLU 76 HA GLU 76 -7.785 -2.860 -8.837 561 HB2 GLU 76 2HB GLU 76 -9.099 -4.996 -9.301 562 HB3 GLU 76 3HB GLU 76 -8.552 -4.794 -7.642 563 HG2 GLU 76 2HG GLU 76 -10.736 -4.343 -6.839 564 HG3 GLU 76 3HG GLU 76 -11.322 -3.897 -8.434 565 H CYS 77 HN CYS 77 -7.979 -3.283 -11.075 566 HA CYS 77 HA CYS 77 -10.481 -3.471 -12.386 567 HB2 CYS 77 2HB CYS 77 -8.757 -1.045 -12.813 568 HB3 CYS 77 3HB CYS 77 -9.283 -1.880 -14.272 569 HG CYS 77 HG CYS 77 -10.850 0.228 -13.619 570 H GLU 78 HN GLU 78 -10.119 -5.138 -13.771 571 HA GLU 78 HA GLU 78 -9.273 -6.466 -15.342 572 HB2 GLU 78 2HB GLU 78 -7.086 -4.346 -15.684 573 HB3 GLU 78 3HB GLU 78 -7.545 -5.636 -16.818 574 HG2 GLU 78 2HG GLU 78 -9.840 -4.716 -16.941 575 HG3 GLU 78 3HG GLU 78 -9.328 -3.319 -15.987 576 H GLY 79 HN GLY 79 -6.333 -5.193 -13.821 577 HA2 GLY 79 2HA GLY 79 -5.485 -7.521 -12.501 578 HA3 GLY 79 1HA GLY 79 -4.663 -7.466 -14.077 579 H GLU 80 HN GLU 80 -5.743 -4.688 -12.013 580 HA GLU 80 HA GLU 80 -2.900 -4.270 -11.321 581 HB2 GLU 80 2HB GLU 80 -2.833 -2.004 -11.839 582 HB3 GLU 80 3HB GLU 80 -3.385 -2.877 -13.267 583 HG2 GLU 80 2HG GLU 80 -5.088 -1.552 -13.593 584 HG3 GLU 80 3HG GLU 80 -5.749 -1.889 -11.979 585 HA PRO 81 HA PRO 81 -6.034 -4.280 -7.825 586 HB2 PRO 81 2HB PRO 81 -4.633 -6.042 -6.207 587 HB3 PRO 81 3HB PRO 81 -5.906 -6.515 -7.381 588 HG2 PRO 81 2HG PRO 81 -2.902 -6.561 -7.729 589 HG3 PRO 81 3HG PRO 81 -4.093 -7.815 -8.193 590 HD2 PRO 81 2HD PRO 81 -3.051 -6.042 -9.967 591 HD3 PRO 81 3HD PRO 81 -4.758 -6.573 -10.077 592 H CYS 82 HN CYS 82 -5.746 -2.383 -6.732 593 HA CYS 82 HA CYS 82 -2.973 -1.624 -5.979 594 HB2 CYS 82 2HB CYS 82 -3.437 0.640 -6.680 595 HB3 CYS 82 3HB CYS 82 -3.716 -0.481 -8.036 596 HG CYS 82 HG CYS 82 -6.106 -0.360 -8.273 597 H LEU 83 HN LEU 83 -2.832 0.121 -4.381 598 HA LEU 83 HA LEU 83 -4.990 -0.078 -2.324 599 HB2 LEU 83 2HB LEU 83 -3.080 -1.943 -2.257 600 HB3 LEU 83 3HB LEU 83 -2.033 -0.604 -1.810 601 HG LEU 83 HG LEU 83 -3.932 -0.154 0.035 602 HD11 LEU 83 1HD1 LEU 83 -5.462 -1.869 -0.870 603 HD12 LEU 83 2HD1 LEU 83 -4.945 -2.266 0.799 604 HD13 LEU 83 3HD1 LEU 83 -4.261 -3.122 -0.589 605 HD21 LEU 83 1HD2 LEU 83 -1.540 -0.744 0.437 606 HD22 LEU 83 2HD2 LEU 83 -1.993 -2.457 0.346 607 HD23 LEU 83 3HD2 LEU 83 -2.676 -1.401 1.610 608 H PHE 84 HN PHE 84 -5.024 1.541 -0.904 609 HA PHE 84 HA PHE 84 -3.052 3.758 -1.152 610 HB2 PHE 84 2HB PHE 84 -6.066 4.004 -0.870 611 HB3 PHE 84 3HB PHE 84 -4.915 5.299 -0.986 612 HD1 PHE 84 1HD PHE 84 -4.063 6.002 -3.153 613 HD2 PHE 84 2HD PHE 84 -6.574 2.535 -2.873 614 HE1 PHE 84 1HE PHE 84 -4.261 5.958 -5.636 615 HE2 PHE 84 2HE PHE 84 -6.747 2.453 -5.333 616 HZ PHE 84 HZ PHE 84 -5.637 4.170 -6.734 617 H VAL 85 HN VAL 85 -2.069 3.872 0.801 618 HA VAL 85 HA VAL 85 -3.600 3.296 3.286 619 HB VAL 85 HB VAL 85 -1.092 2.771 4.076 620 HG11 VAL 85 1HG1 VAL 85 -1.662 0.391 3.990 621 HG12 VAL 85 2HG1 VAL 85 -3.058 1.361 4.443 622 HG13 VAL 85 3HG1 VAL 85 -2.948 0.723 2.791 623 HG21 VAL 85 1HG2 VAL 85 0.182 1.438 2.647 624 HG22 VAL 85 2HG2 VAL 85 -1.079 1.410 1.385 625 HG23 VAL 85 3HG2 VAL 85 -0.200 2.905 1.712 626 H ASN 86 HN ASN 86 -2.179 4.308 5.233 627 HA ASN 86 HA ASN 86 -2.375 7.165 4.779 628 HB2 ASN 86 2HB ASN 86 -1.686 5.316 7.134 629 HB3 ASN 86 3HB ASN 86 -1.450 7.071 7.210 630 HD21 ASN 86 1HD2 ASN 86 -3.982 4.531 7.213 631 HD22 ASN 86 2HD2 ASN 86 -5.256 5.681 7.465 632 H ARG 87 HN ARG 87 0.028 5.618 6.480 633 HA ARG 87 HA ARG 87 2.267 6.219 4.641 634 HB2 ARG 87 2HB ARG 87 1.715 8.327 6.124 635 HB3 ARG 87 3HB ARG 87 2.385 7.420 7.453 636 HG2 ARG 87 2HG ARG 87 4.195 8.646 6.709 637 HG3 ARG 87 3HG ARG 87 4.480 7.093 5.906 638 HD2 ARG 87 2HD ARG 87 3.246 8.006 3.893 639 HD3 ARG 87 3HD ARG 87 3.144 9.563 4.693 640 HE ARG 87 HE ARG 87 5.373 8.470 3.235 641 HH11 ARG 87 1HH1 ARG 87 4.578 10.589 5.954 642 HH12 ARG 87 2HH1 ARG 87 6.161 11.279 6.096 643 HH21 ARG 87 1HH2 ARG 87 7.415 9.415 3.299 644 HH22 ARG 87 2HH2 ARG 87 7.762 10.766 4.347 645 H GLN 88 HN GLN 88 2.207 5.623 8.087 646 HA GLN 88 HA GLN 88 4.332 3.679 8.006 647 HB2 GLN 88 2HB GLN 88 3.265 3.220 10.453 648 HB3 GLN 88 3HB GLN 88 4.369 4.520 10.092 649 HG2 GLN 88 2HG GLN 88 1.384 4.971 9.878 650 HG3 GLN 88 3HG GLN 88 2.158 4.909 11.423 651 HE21 GLN 88 1HE2 GLN 88 0.919 7.152 9.954 652 HE22 GLN 88 2HE2 GLN 88 2.078 8.478 10.003 653 H ASP 89 HN ASP 89 0.952 3.340 7.588 654 HA ASP 89 HA ASP 89 0.645 0.664 8.296 655 HB2 ASP 89 2HB ASP 89 -1.160 2.277 7.527 656 HB3 ASP 89 3HB ASP 89 -0.794 1.733 5.911 657 H GLU 90 HN GLU 90 2.450 2.030 5.637 658 HA GLU 90 HA GLU 90 2.575 -0.093 3.822 659 HB2 GLU 90 2HB GLU 90 4.665 1.840 4.920 660 HB3 GLU 90 3HB GLU 90 5.041 0.696 3.627 661 HG2 GLU 90 2HG GLU 90 3.378 1.627 2.188 662 HG3 GLU 90 3HG GLU 90 2.757 2.663 3.459 663 H PHE 91 HN PHE 91 4.609 0.569 6.610 664 HA PHE 91 HA PHE 91 6.124 -1.806 6.599 665 HB2 PHE 91 2HB PHE 91 5.621 0.137 8.872 666 HB3 PHE 91 3HB PHE 91 7.009 -0.913 8.699 667 HD1 PHE 91 1HD PHE 91 7.037 -0.085 5.413 668 HD2 PHE 91 2HD PHE 91 7.178 1.992 9.206 669 HE1 PHE 91 1HE PHE 91 8.101 1.834 4.325 670 HE2 PHE 91 2HE PHE 91 8.293 3.896 8.096 671 HZ PHE 91 HZ PHE 91 8.767 3.804 5.629 672 H ALA 92 HN ALA 92 3.340 -0.686 8.429 673 HA ALA 92 HA ALA 92 3.233 -2.934 10.242 674 HB1 ALA 92 1HB ALA 92 2.011 -0.742 10.572 675 HB2 ALA 92 2HB ALA 92 0.863 -1.273 9.320 676 HB3 ALA 92 3HB ALA 92 1.024 -2.199 10.832 677 H ALA 93 HN ALA 93 1.451 -2.258 7.170 678 HA ALA 93 HA ALA 93 0.038 -4.696 7.211 679 HB1 ALA 93 1HB ALA 93 -0.654 -2.603 6.067 680 HB2 ALA 93 2HB ALA 93 0.603 -2.905 4.846 681 HB3 ALA 93 3HB ALA 93 -0.734 -4.060 5.061 682 H THR 94 HN THR 94 3.180 -3.845 5.569 683 HA THR 94 HA THR 94 3.355 -6.409 4.305 684 HB THR 94 HB THR 94 4.793 -4.565 3.590 685 HG1 THR 94 1HG THR 94 5.675 -6.373 2.967 686 HG21 THR 94 1HG2 THR 94 5.415 -3.579 5.721 687 HG22 THR 94 2HG2 THR 94 6.834 -3.945 4.755 688 HG23 THR 94 3HG2 THR 94 6.395 -4.996 6.129 689 H CYS 95 HN CYS 95 4.272 -5.320 7.635 690 HA CYS 95 HA CYS 95 5.395 -7.793 8.434 691 HB2 CYS 95 2HB CYS 95 5.434 -5.563 9.694 692 HB3 CYS 95 3HB CYS 95 3.789 -5.924 10.223 693 HG CYS 95 HG CYS 95 4.283 -8.223 11.272 694 H ARG 96 HN ARG 96 1.960 -6.697 8.555 695 HA ARG 96 HA ARG 96 0.982 -9.068 9.812 696 HB2 ARG 96 2HB ARG 96 -0.656 -7.518 7.773 697 HB3 ARG 96 3HB ARG 96 -1.218 -8.469 9.128 698 HG2 ARG 96 2HG ARG 96 -0.131 -5.669 9.079 699 HG3 ARG 96 3HG ARG 96 -1.655 -6.263 9.661 700 HD2 ARG 96 2HD ARG 96 -0.379 -7.369 11.588 701 HD3 ARG 96 3HD ARG 96 1.043 -6.479 10.981 702 HE ARG 96 HE ARG 96 -0.917 -4.550 11.234 703 HH11 ARG 96 1HH1 ARG 96 0.901 -6.613 13.536 704 HH12 ARG 96 2HH1 ARG 96 0.441 -5.678 14.898 705 HH21 ARG 96 1HH2 ARG 96 -1.273 -3.231 12.969 706 HH22 ARG 96 2HH2 ARG 96 -0.595 -3.547 14.534 707 H LEU 97 HN LEU 97 1.286 -8.262 6.322 708 HA LEU 97 HA LEU 97 0.143 -10.739 5.409 709 HB2 LEU 97 2HB LEU 97 1.718 -8.459 4.177 710 HB3 LEU 97 3HB LEU 97 1.510 -9.929 3.253 711 HG LEU 97 HG LEU 97 -0.144 -8.073 2.800 712 HD11 LEU 97 1HD1 LEU 97 -0.528 -10.220 1.928 713 HD12 LEU 97 2HD1 LEU 97 -2.063 -9.657 2.574 714 HD13 LEU 97 3HD1 LEU 97 -1.103 -10.861 3.484 715 HD21 LEU 97 1HD2 LEU 97 -0.759 -7.389 5.076 716 HD22 LEU 97 2HD2 LEU 97 -1.389 -9.011 5.420 717 HD23 LEU 97 3HD2 LEU 97 -2.179 -7.982 4.216 718 H LYS 98 HN LYS 98 3.540 -9.798 6.126 719 HA LYS 98 HA LYS 98 4.793 -12.085 5.025 720 HB2 LYS 98 2HB LYS 98 5.427 -10.197 7.301 721 HB3 LYS 98 3HB LYS 98 6.345 -11.701 7.212 722 HG2 LYS 98 2HG LYS 98 7.351 -11.192 5.200 723 HG3 LYS 98 3HG LYS 98 6.013 -10.203 4.669 724 HD2 LYS 98 2HD LYS 98 6.646 -8.400 6.205 725 HD3 LYS 98 3HD LYS 98 8.068 -9.335 6.712 726 HE2 LYS 98 2HE LYS 98 8.948 -9.363 4.438 727 HE3 LYS 98 3HE LYS 98 7.429 -8.791 3.776 728 HZ1 LYS 98 1HZ LYS 98 9.037 -7.093 3.794 729 HZ2 LYS 98 2HZ LYS 98 9.256 -7.171 5.413 730 HZ3 LYS 98 3HZ LYS 98 7.781 -6.672 4.759 731 H ASN 99 HN ASN 99 3.040 -11.761 8.089 732 HA ASN 99 HA ASN 99 3.653 -14.431 9.000 733 HB2 ASN 99 2HB ASN 99 1.337 -12.627 9.643 734 HB3 ASN 99 3HB ASN 99 1.451 -14.274 10.258 735 HD21 ASN 99 1HD2 ASN 99 3.188 -11.065 10.235 736 HD22 ASN 99 2HD2 ASN 99 4.026 -11.462 11.725 737 H PHE 100 HN PHE 100 0.927 -13.183 6.995 738 HA PHE 100 HA PHE 100 -0.281 -15.698 6.587 739 HB2 PHE 100 2HB PHE 100 -0.940 -13.110 5.978 740 HB3 PHE 100 3HB PHE 100 -0.499 -13.707 4.388 741 HD1 PHE 100 1HD PHE 100 -1.706 -15.821 3.498 742 HD2 PHE 100 2HD PHE 100 -2.941 -13.710 7.039 743 HE1 PHE 100 1HE PHE 100 -3.888 -17.005 3.436 744 HE2 PHE 100 2HE PHE 100 -5.121 -14.937 7.001 745 HZ PHE 100 HZ PHE 100 -5.592 -16.568 5.180 746 H GLY 101 HN GLY 101 2.438 -14.185 5.021 747 HA2 GLY 101 2HA GLY 101 4.248 -15.542 4.400 748 HA3 GLY 101 1HA GLY 101 3.147 -16.826 3.903 749 H VAL 102 HN VAL 102 1.607 -14.480 2.477 750 HA VAL 102 HA VAL 102 2.466 -15.168 -0.132 751 HB VAL 102 HB VAL 102 0.788 -13.482 -0.816 752 HG11 VAL 102 1HG1 VAL 102 -1.139 -14.605 0.032 753 HG12 VAL 102 2HG1 VAL 102 0.160 -15.813 -0.039 754 HG13 VAL 102 3HG1 VAL 102 -0.297 -15.110 1.508 755 HG21 VAL 102 1HG2 VAL 102 -0.557 -12.266 0.831 756 HG22 VAL 102 2HG2 VAL 102 0.481 -12.824 2.153 757 HG23 VAL 102 3HG2 VAL 102 1.134 -11.743 0.905 758 H ALA 103 HN ALA 103 2.980 -13.466 -1.891 759 HA ALA 103 HA ALA 103 5.380 -12.008 -1.017 760 HB1 ALA 103 1HB ALA 103 4.087 -11.965 -3.746 761 HB2 ALA 103 2HB ALA 103 5.794 -11.690 -3.334 762 HB3 ALA 103 3HB ALA 103 5.122 -13.311 -3.214 763 H ILE 104 HN ILE 104 5.675 -9.688 -1.411 764 HA ILE 104 HA ILE 104 3.200 -8.072 -1.110 765 HB ILE 104 HB ILE 104 5.645 -8.109 0.675 766 HG12 ILE 104 2HG1 ILE 104 2.877 -8.705 1.708 767 HG13 ILE 104 3HG1 ILE 104 3.758 -9.996 0.925 768 HG21 ILE 104 1HG2 ILE 104 4.052 -6.644 2.193 769 HG22 ILE 104 2HG2 ILE 104 5.000 -5.878 0.905 770 HG23 ILE 104 3HG2 ILE 104 3.276 -6.249 0.689 771 HD11 ILE 104 1HD1 ILE 104 4.132 -10.163 3.236 772 HD12 ILE 104 2HD1 ILE 104 5.649 -9.690 2.453 773 HD13 ILE 104 3HD1 ILE 104 4.694 -8.484 3.355 774 H ALA 105 HN ALA 105 3.799 -5.686 -1.005 775 HA ALA 105 HA ALA 105 5.333 -4.770 -3.291 776 HB1 ALA 105 1HB ALA 105 3.179 -3.734 -2.439 777 HB2 ALA 105 2HB ALA 105 4.063 -3.205 -0.992 778 HB3 ALA 105 3HB ALA 105 4.515 -2.599 -2.604 779 H GLU 106 HN GLU 106 6.572 -2.579 -2.367 780 HA GLU 106 HA GLU 106 9.041 -3.200 -1.437 781 HB2 GLU 106 2HB GLU 106 7.382 -0.695 -1.414 782 HB3 GLU 106 3HB GLU 106 8.956 -0.656 -0.589 783 HG2 GLU 106 2HG GLU 106 10.158 -1.158 -2.536 784 HG3 GLU 106 3HG GLU 106 8.723 -1.771 -3.385 785 HA PRO 107 HA PRO 107 8.675 -4.045 2.861 786 HB2 PRO 107 2HB PRO 107 11.266 -4.239 3.582 787 HB3 PRO 107 3HB PRO 107 10.670 -5.175 2.183 788 HG2 PRO 107 2HG PRO 107 12.047 -2.448 2.122 789 HG3 PRO 107 3HG PRO 107 12.512 -3.925 1.231 790 HD2 PRO 107 2HD PRO 107 10.909 -1.994 0.131 791 HD3 PRO 107 3HD PRO 107 10.697 -3.732 -0.234 792 H PHE 108 HN PHE 108 9.683 -3.430 5.124 793 HA PHE 108 HA PHE 108 9.683 -0.512 5.549 794 HB2 PHE 108 2HB PHE 108 9.768 -1.245 7.965 795 HB3 PHE 108 3HB PHE 108 8.343 -1.592 7.019 796 HD1 PHE 108 1HD PHE 108 7.322 -3.415 7.897 797 HD2 PHE 108 2HD PHE 108 11.552 -3.501 7.285 798 HE1 PHE 108 1HE PHE 108 7.316 -5.865 8.384 799 HE2 PHE 108 2HE PHE 108 11.576 -5.948 7.821 800 HZ PHE 108 HZ PHE 108 9.469 -7.135 8.317 801 H SER 109 HN SER 109 11.922 -1.974 4.065 802 HA SER 109 HA SER 109 14.167 -1.674 5.952 803 HB2 SER 109 2HB SER 109 14.315 -2.337 3.011 804 HB3 SER 109 3HB SER 109 15.530 -2.630 4.273 805 HG SER 109 HG SER 109 14.140 -4.226 5.145 806 H ASN 110 HN ASN 110 15.247 0.109 6.013 807 HA ASN 110 HA ASN 110 14.381 2.586 5.313 808 HB2 ASN 110 2HB ASN 110 17.214 1.582 5.753 809 HB3 ASN 110 3HB ASN 110 16.826 3.294 5.640 810 HD21 ASN 110 1HD2 ASN 110 16.036 4.370 7.474 811 HD22 ASN 110 2HD2 ASN 110 15.493 3.520 8.932 812 H TYR 111 HN TYR 111 13.975 3.467 3.352 813 HA TYR 111 HA TYR 111 13.969 3.871 1.200 814 HB2 TYR 111 2HB TYR 111 16.025 5.037 0.358 815 HB3 TYR 111 3HB TYR 111 15.298 5.632 1.829 816 HD1 TYR 111 1HD TYR 111 16.525 5.824 3.827 817 HD2 TYR 111 2HD TYR 111 18.106 3.451 0.591 818 HE1 TYR 111 1HE TYR 111 18.626 5.501 5.102 819 HE2 TYR 111 2HE TYR 111 20.186 3.078 1.867 820 HH TYR 111 HH TYR 111 21.113 3.229 4.038 821 H ASN 112 HN ASN 112 14.522 1.099 1.731 822 HA ASN 112 HA ASN 112 14.879 -0.858 0.698 823 HB2 ASN 112 2HB ASN 112 15.300 -0.054 -2.088 824 HB3 ASN 112 3HB ASN 112 14.176 -1.173 -1.385 825 HD21 ASN 112 1HD2 ASN 112 12.350 0.348 0.079 826 HD22 ASN 112 2HD2 ASN 112 11.794 1.702 -0.896 827 HA PRO 113 HA PRO 113 19.357 0.230 0.774 828 HB2 PRO 113 2HB PRO 113 20.196 -1.341 2.803 829 HB3 PRO 113 3HB PRO 113 19.149 0.086 3.100 830 HG2 PRO 113 2HG PRO 113 18.290 -2.814 2.861 831 HG3 PRO 113 3HG PRO 113 17.867 -1.634 4.147 832 HD2 PRO 113 2HD PRO 113 16.294 -2.161 1.929 833 HD3 PRO 113 3HD PRO 113 16.291 -0.591 2.770 834 H PHE 114 HN PHE 114 17.710 -2.631 0.081 835 HA PHE 114 HA PHE 114 19.938 -4.371 -0.632 836 HB2 PHE 114 2HB PHE 114 16.943 -4.422 -1.120 837 HB3 PHE 114 3HB PHE 114 18.026 -5.560 -1.913 838 HD1 PHE 114 1HD PHE 114 16.527 -4.622 1.341 839 HD2 PHE 114 2HD PHE 114 19.244 -7.277 -0.687 840 HE1 PHE 114 1HE PHE 114 16.552 -6.115 3.327 841 HE2 PHE 114 2HE PHE 114 19.274 -8.757 1.288 842 HZ PHE 114 HZ PHE 114 17.942 -8.183 3.313 Start of MODEL 8 1 H THR 2 HN THR 2 19.090 -17.612 -3.333 2 HA THR 2 HA THR 2 18.820 -18.400 -6.135 3 HB THR 2 HB THR 2 16.167 -17.702 -5.246 4 HG1 THR 2 1HG THR 2 15.621 -19.333 -3.938 5 HG21 THR 2 1HG2 THR 2 16.707 -18.938 -7.286 6 HG22 THR 2 2HG2 THR 2 15.595 -19.884 -6.283 7 HG23 THR 2 3HG2 THR 2 17.324 -20.296 -6.325 8 H SER 3 HN SER 3 18.039 -16.651 -7.481 9 HA SER 3 HA SER 3 18.949 -14.087 -6.670 10 HB2 SER 3 2HB SER 3 16.926 -14.495 -8.869 11 HB3 SER 3 3HB SER 3 18.268 -13.367 -8.779 12 HG SER 3 HG SER 3 19.131 -14.771 -10.043 13 H LEU 4 HN LEU 4 17.663 -12.137 -6.628 14 HA LEU 4 HA LEU 4 15.302 -12.577 -4.894 15 HB2 LEU 4 2HB LEU 4 16.114 -10.714 -3.573 16 HB3 LEU 4 3HB LEU 4 17.100 -12.162 -3.553 17 HG LEU 4 HG LEU 4 18.717 -11.153 -5.108 18 HD11 LEU 4 1HD1 LEU 4 17.254 -9.954 -6.436 19 HD12 LEU 4 2HD1 LEU 4 18.274 -8.692 -5.688 20 HD13 LEU 4 3HD1 LEU 4 16.603 -9.014 -5.099 21 HD21 LEU 4 1HD2 LEU 4 18.043 -9.474 -2.673 22 HD22 LEU 4 2HD2 LEU 4 19.514 -9.290 -3.649 23 HD23 LEU 4 3HD2 LEU 4 19.214 -10.817 -2.814 24 H GLN 5 HN GLN 5 15.547 -11.998 -7.822 25 HA GLN 5 HA GLN 5 13.972 -9.540 -8.112 26 HB2 GLN 5 2HB GLN 5 14.409 -9.924 -10.550 27 HB3 GLN 5 3HB GLN 5 15.799 -9.514 -9.549 28 HG2 GLN 5 2HG GLN 5 16.543 -11.792 -9.461 29 HG3 GLN 5 3HG GLN 5 15.112 -12.379 -10.303 30 HE21 GLN 5 1HE2 GLN 5 14.910 -10.610 -12.505 31 HE22 GLN 5 2HE2 GLN 5 16.366 -10.787 -13.471 32 H LEU 6 HN LEU 6 12.103 -10.585 -7.024 33 HA LEU 6 HA LEU 6 10.399 -11.893 -9.025 34 HB2 LEU 6 2HB LEU 6 9.512 -13.462 -7.342 35 HB3 LEU 6 3HB LEU 6 11.102 -13.811 -7.936 36 HG LEU 6 HG LEU 6 10.485 -14.093 -5.422 37 HD11 LEU 6 1HD1 LEU 6 12.664 -14.627 -6.273 38 HD12 LEU 6 2HD1 LEU 6 12.856 -13.729 -4.768 39 HD13 LEU 6 3HD1 LEU 6 13.126 -12.925 -6.318 40 HD21 LEU 6 1HD2 LEU 6 11.062 -12.252 -3.945 41 HD22 LEU 6 2HD2 LEU 6 9.698 -11.826 -4.992 42 HD23 LEU 6 3HD2 LEU 6 11.312 -11.189 -5.342 43 H SER 7 HN SER 7 10.650 -9.186 -7.998 44 HA SER 7 HA SER 7 8.441 -8.950 -6.055 45 HB2 SER 7 2HB SER 7 10.755 -7.085 -6.716 46 HB3 SER 7 3HB SER 7 9.672 -7.016 -5.323 47 HG SER 7 HG SER 7 11.824 -8.002 -5.013 48 H ILE 8 HN ILE 8 7.845 -6.299 -6.108 49 HA ILE 8 HA ILE 8 7.035 -5.591 -8.881 50 HB ILE 8 HB ILE 8 5.529 -4.722 -6.389 51 HG12 ILE 8 2HG1 ILE 8 3.726 -6.244 -7.713 52 HG13 ILE 8 3HG1 ILE 8 5.176 -7.149 -8.144 53 HG21 ILE 8 1HG2 ILE 8 3.816 -4.019 -8.025 54 HG22 ILE 8 2HG2 ILE 8 5.356 -3.230 -8.380 55 HG23 ILE 8 3HG2 ILE 8 4.808 -4.616 -9.359 56 HD11 ILE 8 1HD1 ILE 8 5.611 -7.562 -5.758 57 HD12 ILE 8 2HD1 ILE 8 4.256 -6.482 -5.324 58 HD13 ILE 8 3HD1 ILE 8 3.947 -8.008 -6.178 59 H VAL 9 HN VAL 9 7.906 -3.673 -9.536 60 HA VAL 9 HA VAL 9 9.135 -1.884 -7.535 61 HB VAL 9 HB VAL 9 10.528 -2.532 -10.148 62 HG11 VAL 9 1HG1 VAL 9 12.562 -1.941 -8.879 63 HG12 VAL 9 2HG1 VAL 9 11.377 -0.646 -8.776 64 HG13 VAL 9 3HG1 VAL 9 11.605 -1.738 -7.400 65 HG21 VAL 9 1HG2 VAL 9 11.979 -4.225 -9.053 66 HG22 VAL 9 2HG2 VAL 9 10.902 -4.234 -7.646 67 HG23 VAL 9 3HG2 VAL 9 10.328 -4.789 -9.235 68 H HIS 10 HN HIS 10 9.573 0.240 -8.545 69 HA HIS 10 HA HIS 10 9.031 2.130 -9.565 70 HB2 HIS 10 2HB HIS 10 9.742 0.989 -11.635 71 HB3 HIS 10 3HB HIS 10 8.065 0.534 -11.941 72 HD1 HIS 10 1HD HIS 10 10.415 3.557 -12.082 73 HD2 HIS 10 2HD HIS 10 6.337 2.571 -12.605 74 HE1 HIS 10 1HE HIS 10 9.307 5.579 -13.146 75 H ARG 11 HN ARG 11 7.576 2.410 -7.845 76 HA ARG 11 HA ARG 11 4.753 2.664 -8.770 77 HB2 ARG 11 2HB ARG 11 5.675 1.548 -6.395 78 HB3 ARG 11 3HB ARG 11 5.263 3.175 -5.907 79 HG2 ARG 11 2HG ARG 11 3.518 0.988 -7.067 80 HG3 ARG 11 3HG ARG 11 3.410 1.759 -5.504 81 HD2 ARG 11 2HD ARG 11 2.487 2.766 -8.199 82 HD3 ARG 11 3HD ARG 11 1.568 2.566 -6.699 83 HE ARG 11 HE ARG 11 3.739 4.521 -6.643 84 HH11 ARG 11 1HH1 ARG 11 0.280 4.108 -7.237 85 HH12 ARG 11 2HH1 ARG 11 -0.060 5.809 -7.134 86 HH21 ARG 11 1HH2 ARG 11 3.344 6.783 -6.937 87 HH22 ARG 11 2HH2 ARG 11 1.706 7.336 -6.978 88 H LEU 12 HN LEU 12 7.518 4.316 -7.211 89 HA LEU 12 HA LEU 12 8.021 6.469 -6.786 90 HB2 LEU 12 2HB LEU 12 6.504 6.883 -9.375 91 HB3 LEU 12 3HB LEU 12 7.168 8.215 -8.451 92 HG LEU 12 HG LEU 12 9.436 7.388 -8.686 93 HD11 LEU 12 1HD1 LEU 12 9.933 5.528 -10.287 94 HD12 LEU 12 2HD1 LEU 12 8.205 5.086 -10.236 95 HD13 LEU 12 3HD1 LEU 12 9.220 4.994 -8.777 96 HD21 LEU 12 1HD2 LEU 12 8.466 8.878 -10.408 97 HD22 LEU 12 2HD2 LEU 12 7.933 7.462 -11.342 98 HD23 LEU 12 3HD2 LEU 12 9.664 7.786 -11.099 99 HA PRO 13 HA PRO 13 3.990 7.310 -4.701 100 HB2 PRO 13 2HB PRO 13 4.676 7.123 -2.112 101 HB3 PRO 13 3HB PRO 13 4.405 5.662 -3.105 102 HG2 PRO 13 2HG PRO 13 7.087 6.948 -2.476 103 HG3 PRO 13 3HG PRO 13 6.624 5.223 -2.313 104 HD2 PRO 13 2HD PRO 13 7.918 6.230 -4.530 105 HD3 PRO 13 3HD PRO 13 6.752 4.875 -4.635 106 H GLN 14 HN GLN 14 3.426 9.225 -3.695 107 HA GLN 14 HA GLN 14 5.355 11.402 -3.130 108 HB2 GLN 14 2HB GLN 14 3.313 11.261 -5.380 109 HB3 GLN 14 3HB GLN 14 3.445 12.759 -4.503 110 HG2 GLN 14 2HG GLN 14 4.939 13.289 -6.072 111 HG3 GLN 14 3HG GLN 14 6.070 12.449 -5.027 112 HE21 GLN 14 1HE2 GLN 14 6.836 10.303 -5.720 113 HE22 GLN 14 2HE2 GLN 14 6.686 9.807 -7.369 114 H ASN 15 HN ASN 15 3.899 13.344 -2.396 115 HA ASN 15 HA ASN 15 2.172 12.339 -0.218 116 HB2 ASN 15 2HB ASN 15 2.185 14.687 0.555 117 HB3 ASN 15 3HB ASN 15 3.753 13.930 0.499 118 HD21 ASN 15 1HD2 ASN 15 5.291 14.495 -1.334 119 HD22 ASN 15 2HD2 ASN 15 5.090 16.060 -2.074 120 H TYR 16 HN TYR 16 0.005 12.236 -0.525 121 HA TYR 16 HA TYR 16 -1.328 14.109 -2.314 122 HB2 TYR 16 2HB TYR 16 -2.312 12.411 -3.725 123 HB3 TYR 16 3HB TYR 16 -0.600 12.213 -3.754 124 HD1 TYR 16 1HD TYR 16 -3.728 10.722 -3.354 125 HD2 TYR 16 2HD TYR 16 0.355 10.309 -2.111 126 HE1 TYR 16 1HE TYR 16 -4.201 8.406 -2.610 127 HE2 TYR 16 2HE TYR 16 -0.034 7.966 -1.482 128 HH TYR 16 HH TYR 16 -1.794 6.310 -0.980 129 H ARG 17 HN ARG 17 -3.859 13.520 -2.000 130 HA ARG 17 HA ARG 17 -4.449 12.210 0.556 131 HB2 ARG 17 2HB ARG 17 -5.574 14.089 1.528 132 HB3 ARG 17 3HB ARG 17 -3.893 14.476 1.288 133 HG2 ARG 17 2HG ARG 17 -4.445 15.916 -0.639 134 HG3 ARG 17 3HG ARG 17 -6.123 15.373 -0.596 135 HD2 ARG 17 2HD ARG 17 -5.763 16.187 2.017 136 HD3 ARG 17 3HD ARG 17 -4.715 17.312 1.163 137 HE ARG 17 HE ARG 17 -7.072 17.376 -0.273 138 HH11 ARG 17 1HH1 ARG 17 -6.109 18.016 3.074 139 HH12 ARG 17 2HH1 ARG 17 -7.523 18.905 3.510 140 HH21 ARG 17 1HH2 ARG 17 -8.896 18.701 0.227 141 HH22 ARG 17 2HH2 ARG 17 -9.135 19.361 1.819 142 H TRP 18 HN TRP 18 -7.082 12.565 0.880 143 HA TRP 18 HA TRP 18 -8.327 11.951 -1.651 144 HB2 TRP 18 2HB TRP 18 -9.853 12.769 0.833 145 HB3 TRP 18 3HB TRP 18 -10.365 11.706 -0.468 146 HD1 TRP 18 1HD TRP 18 -9.741 11.440 2.931 147 HE1 TRP 18 1HE TRP 18 -8.706 9.227 3.707 148 HE3 TRP 18 3HE TRP 18 -8.108 9.689 -1.600 149 HZ2 TRP 18 2HZ TRP 18 -7.125 7.146 2.531 150 HZ3 TRP 18 3HZ TRP 18 -6.895 7.502 -1.736 151 HH2 TRP 18 2HH TRP 18 -6.367 6.266 0.303 152 H SER 19 HN SER 19 -9.789 13.287 -2.831 153 HA SER 19 HA SER 19 -9.294 16.154 -2.549 154 HB2 SER 19 2HB SER 19 -9.723 14.432 -4.641 155 HB3 SER 19 3HB SER 19 -11.317 15.167 -4.508 156 HG SER 19 HG SER 19 -10.000 17.226 -4.493 157 H ALA 20 HN ALA 20 -10.833 14.820 -0.362 158 HA ALA 20 HA ALA 20 -12.655 14.981 0.941 159 HB1 ALA 20 1HB ALA 20 -11.486 17.175 1.103 160 HB2 ALA 20 2HB ALA 20 -12.635 17.847 -0.065 161 HB3 ALA 20 3HB ALA 20 -13.212 17.252 1.503 162 H GLY 21 HN GLY 21 -13.390 14.540 -2.156 163 HA2 GLY 21 2HA GLY 21 -16.234 15.353 -1.994 164 HA3 GLY 21 1HA GLY 21 -15.323 14.908 -3.443 165 H PHE 22 HN PHE 22 -14.074 12.535 -2.370 166 HA PHE 22 HA PHE 22 -16.278 10.705 -1.856 167 HB2 PHE 22 2HB PHE 22 -14.694 9.992 -4.318 168 HB3 PHE 22 3HB PHE 22 -16.295 9.586 -3.880 169 HD1 PHE 22 1HD PHE 22 -18.082 10.766 -5.027 170 HD2 PHE 22 2HD PHE 22 -14.094 12.459 -5.047 171 HE1 PHE 22 1HE PHE 22 -18.742 12.402 -6.772 172 HE2 PHE 22 2HE PHE 22 -14.731 13.985 -6.823 173 HZ PHE 22 HZ PHE 22 -17.082 14.008 -7.689 174 H ALA 23 HN ALA 23 -14.681 10.787 0.088 175 HA ALA 23 HA ALA 23 -12.003 9.985 -0.125 176 HB1 ALA 23 1HB ALA 23 -12.761 10.836 1.954 177 HB2 ALA 23 2HB ALA 23 -13.938 9.503 2.161 178 HB3 ALA 23 3HB ALA 23 -12.192 9.193 2.254 179 H GLY 24 HN GLY 24 -14.786 7.768 -0.302 180 HA2 GLY 24 2HA GLY 24 -13.211 5.424 -0.013 181 HA3 GLY 24 1HA GLY 24 -14.815 5.532 -0.754 182 H SER 25 HN SER 25 -13.534 7.599 -2.824 183 HA SER 25 HA SER 25 -11.599 6.046 -4.239 184 HB2 SER 25 2HB SER 25 -14.001 4.992 -4.646 185 HB3 SER 25 3HB SER 25 -14.182 6.312 -5.788 186 HG SER 25 HG SER 25 -13.086 4.063 -6.205 187 H LYS 26 HN LYS 26 -10.945 8.354 -3.473 188 HA LYS 26 HA LYS 26 -10.890 9.869 -5.932 189 HB2 LYS 26 2HB LYS 26 -12.865 10.796 -5.031 190 HB3 LYS 26 3HB LYS 26 -12.018 11.381 -3.589 191 HG2 LYS 26 2HG LYS 26 -12.027 13.234 -5.082 192 HG3 LYS 26 3HG LYS 26 -10.424 12.570 -5.250 193 HD2 LYS 26 2HD LYS 26 -11.875 11.205 -7.240 194 HD3 LYS 26 3HD LYS 26 -12.615 12.810 -7.184 195 HE2 LYS 26 2HE LYS 26 -10.925 13.548 -8.478 196 HE3 LYS 26 3HE LYS 26 -9.860 13.343 -7.071 197 HZ1 LYS 26 1HZ LYS 26 -8.999 12.198 -9.035 198 HZ2 LYS 26 2HZ LYS 26 -10.379 11.293 -9.147 199 HZ3 LYS 26 3HZ LYS 26 -9.337 11.129 -7.871 200 H VAL 27 HN VAL 27 -8.815 9.895 -6.024 201 HA VAL 27 HA VAL 27 -7.210 10.994 -3.761 202 HB VAL 27 HB VAL 27 -5.245 10.201 -5.046 203 HG11 VAL 27 1HG1 VAL 27 -5.618 7.812 -4.642 204 HG12 VAL 27 2HG1 VAL 27 -6.379 8.796 -3.375 205 HG13 VAL 27 3HG1 VAL 27 -7.374 8.052 -4.646 206 HG21 VAL 27 1HG2 VAL 27 -7.188 8.893 -7.000 207 HG22 VAL 27 2HG2 VAL 27 -6.169 10.287 -7.377 208 HG23 VAL 27 3HG2 VAL 27 -5.448 8.725 -6.960 209 H GLU 28 HN GLU 28 -5.744 12.735 -3.972 210 HA GLU 28 HA GLU 28 -5.409 13.944 -6.545 211 HB2 GLU 28 2HB GLU 28 -5.608 16.243 -5.821 212 HB3 GLU 28 3HB GLU 28 -7.142 15.384 -6.004 213 HG2 GLU 28 2HG GLU 28 -7.507 15.184 -3.771 214 HG3 GLU 28 3HG GLU 28 -5.835 15.323 -3.339 215 HA PRO 29 HA PRO 29 -1.286 14.301 -4.571 216 HB2 PRO 29 2HB PRO 29 -0.088 16.070 -6.318 217 HB3 PRO 29 3HB PRO 29 -0.295 14.320 -6.612 218 HG2 PRO 29 2HG PRO 29 -2.045 16.595 -7.576 219 HG3 PRO 29 3HG PRO 29 -1.404 15.205 -8.518 220 HD2 PRO 29 2HD PRO 29 -3.924 15.192 -7.546 221 HD3 PRO 29 3HD PRO 29 -2.933 13.690 -7.465 222 H ILE 30 HN ILE 30 0.132 16.120 -3.599 223 HA ILE 30 HA ILE 30 -1.642 18.342 -2.716 224 HB ILE 30 HB ILE 30 0.543 16.936 -1.139 225 HG12 ILE 30 2HG1 ILE 30 -2.392 17.271 -0.396 226 HG13 ILE 30 3HG1 ILE 30 -1.878 15.921 -1.388 227 HG21 ILE 30 1HG2 ILE 30 -1.167 19.492 -0.764 228 HG22 ILE 30 2HG2 ILE 30 -0.453 18.660 0.636 229 HG23 ILE 30 3HG2 ILE 30 0.591 19.347 -0.599 230 HD11 ILE 30 1HD1 ILE 30 -0.189 15.276 0.354 231 HD12 ILE 30 2HD1 ILE 30 -0.837 16.567 1.395 232 HD13 ILE 30 3HD1 ILE 30 -1.863 15.210 0.929 233 HA PRO 31 HA PRO 31 1.704 20.762 -4.651 234 HB2 PRO 31 2HB PRO 31 0.131 22.753 -5.714 235 HB3 PRO 31 3HB PRO 31 0.482 21.229 -6.537 236 HG2 PRO 31 2HG PRO 31 -1.971 21.978 -4.952 237 HG3 PRO 31 3HG PRO 31 -1.890 21.106 -6.508 238 HD2 PRO 31 2HD PRO 31 -2.221 19.902 -4.044 239 HD3 PRO 31 3HD PRO 31 -1.439 19.087 -5.427 240 H GLN 32 HN GLN 32 1.959 20.839 -2.205 241 HA GLN 32 HA GLN 32 2.398 22.055 -0.324 242 HB2 GLN 32 2HB GLN 32 3.347 23.448 -2.228 243 HB3 GLN 32 3HB GLN 32 1.941 24.504 -2.044 244 HG2 GLN 32 2HG GLN 32 2.673 24.929 0.323 245 HG3 GLN 32 3HG GLN 32 4.048 23.861 0.037 246 HE21 GLN 32 1HE2 GLN 32 2.434 26.607 -1.702 247 HE22 GLN 32 2HE2 GLN 32 3.910 27.459 -2.093 248 H ASN 33 HN ASN 33 -0.487 21.526 -1.096 249 HA ASN 33 HA ASN 33 -2.008 23.543 0.451 250 HB2 ASN 33 2HB ASN 33 -2.939 20.955 -0.852 251 HB3 ASN 33 3HB ASN 33 -3.931 22.011 0.154 252 HD21 ASN 33 1HD2 ASN 33 -1.603 22.793 -2.555 253 HD22 ASN 33 2HD2 ASN 33 -2.834 23.344 -3.583 254 H GLY 34 HN GLY 34 -0.371 23.092 2.183 255 HA2 GLY 34 2HA GLY 34 -0.584 22.863 4.467 256 HA3 GLY 34 1HA GLY 34 -1.923 21.754 4.259 257 HA PRO 35 HA PRO 35 2.080 19.071 4.267 258 HB2 PRO 35 2HB PRO 35 4.298 20.193 5.399 259 HB3 PRO 35 3HB PRO 35 3.970 20.150 3.652 260 HG2 PRO 35 2HG PRO 35 3.461 22.421 5.607 261 HG3 PRO 35 3HG PRO 35 4.197 22.519 3.978 262 HD2 PRO 35 2HD PRO 35 1.572 23.107 4.472 263 HD3 PRO 35 3HD PRO 35 2.093 22.349 2.934 264 H CYS 36 HN CYS 36 2.841 17.877 6.129 265 HA CYS 36 HA CYS 36 2.238 18.944 8.815 266 HB2 CYS 36 2HB CYS 36 1.016 16.582 9.085 267 HB3 CYS 36 3HB CYS 36 0.176 18.102 8.754 268 HG CYS 36 HG CYS 36 -0.457 17.820 6.476 269 H GLY 37 HN GLY 37 3.411 16.015 7.024 270 HA2 GLY 37 2HA GLY 37 5.732 15.409 7.315 271 HA3 GLY 37 1HA GLY 37 5.667 15.980 8.983 272 H ASP 38 HN ASP 38 5.347 13.343 6.962 273 HA ASP 38 HA ASP 38 4.645 11.216 7.006 274 HB2 ASP 38 2HB ASP 38 5.550 11.501 9.850 275 HB3 ASP 38 3HB ASP 38 5.087 9.971 9.119 276 H ASN 39 HN ASN 39 2.709 13.169 7.388 277 HA ASN 39 HA ASN 39 0.464 11.589 8.612 278 HB2 ASN 39 2HB ASN 39 1.226 13.818 9.739 279 HB3 ASN 39 3HB ASN 39 0.494 14.594 8.364 280 HD21 ASN 39 1HD2 ASN 39 -1.862 13.594 7.870 281 HD22 ASN 39 2HD2 ASN 39 -2.809 13.158 9.283 282 H SER 40 HN SER 40 1.152 10.859 6.228 283 HA SER 40 HA SER 40 -0.337 12.379 4.150 284 HB2 SER 40 2HB SER 40 2.462 12.203 4.361 285 HB3 SER 40 3HB SER 40 2.075 10.923 3.210 286 HG SER 40 HG SER 40 1.185 13.622 3.124 287 H LEU 41 HN LEU 41 -0.126 10.818 2.078 288 HA LEU 41 HA LEU 41 -1.116 8.134 2.847 289 HB2 LEU 41 2HB LEU 41 -1.875 9.767 0.424 290 HB3 LEU 41 3HB LEU 41 -2.334 8.093 0.758 291 HG LEU 41 HG LEU 41 -3.220 10.557 2.306 292 HD11 LEU 41 1HD1 LEU 41 -4.702 8.497 0.641 293 HD12 LEU 41 2HD1 LEU 41 -4.251 10.102 0.075 294 HD13 LEU 41 3HD1 LEU 41 -5.414 9.933 1.414 295 HD21 LEU 41 1HD2 LEU 41 -2.941 8.760 3.940 296 HD22 LEU 41 2HD2 LEU 41 -3.706 7.587 2.865 297 HD23 LEU 41 3HD2 LEU 41 -4.666 8.907 3.576 298 H VAL 42 HN VAL 42 -0.394 6.432 1.523 299 HA VAL 42 HA VAL 42 1.715 6.977 -0.473 300 HB VAL 42 HB VAL 42 3.035 5.129 0.362 301 HG11 VAL 42 1HG1 VAL 42 4.103 6.245 2.207 302 HG12 VAL 42 2HG1 VAL 42 3.591 7.441 0.996 303 HG13 VAL 42 3HG1 VAL 42 2.672 7.245 2.504 304 HG21 VAL 42 1HG2 VAL 42 1.934 3.630 1.656 305 HG22 VAL 42 2HG2 VAL 42 2.610 4.607 2.952 306 HG23 VAL 42 3HG2 VAL 42 0.924 4.847 2.474 307 H ALA 43 HN ALA 43 1.917 5.001 -1.960 308 HA ALA 43 HA ALA 43 -0.818 3.930 -2.456 309 HB1 ALA 43 1HB ALA 43 0.873 5.688 -4.288 310 HB2 ALA 43 2HB ALA 43 -0.671 4.908 -4.713 311 HB3 ALA 43 3HB ALA 43 -0.632 6.169 -3.478 312 H LEU 44 HN LEU 44 -0.520 1.812 -2.688 313 HA LEU 44 HA LEU 44 2.129 0.768 -3.567 314 HB2 LEU 44 2HB LEU 44 0.037 -0.134 -1.560 315 HB3 LEU 44 3HB LEU 44 1.150 -1.287 -2.253 316 HG LEU 44 HG LEU 44 3.078 -0.135 -1.350 317 HD11 LEU 44 1HD1 LEU 44 2.698 1.751 0.341 318 HD12 LEU 44 2HD1 LEU 44 1.079 1.954 -0.395 319 HD13 LEU 44 3HD1 LEU 44 2.561 2.186 -1.350 320 HD21 LEU 44 1HD2 LEU 44 0.902 -0.459 0.759 321 HD22 LEU 44 2HD2 LEU 44 2.667 -0.568 1.003 322 HD23 LEU 44 3HD2 LEU 44 1.825 -1.779 0.038 323 H LYS 45 HN LYS 45 1.998 -1.437 -4.524 324 HA LYS 45 HA LYS 45 -0.324 -2.010 -6.245 325 HB2 LYS 45 2HB LYS 45 2.489 -1.208 -7.067 326 HB3 LYS 45 3HB LYS 45 1.698 -2.495 -7.963 327 HG2 LYS 45 2HG LYS 45 -0.258 -1.057 -8.386 328 HG3 LYS 45 3HG LYS 45 0.517 0.281 -7.518 329 HD2 LYS 45 2HD LYS 45 2.201 0.525 -9.166 330 HD3 LYS 45 3HD LYS 45 1.880 -1.076 -9.871 331 HE2 LYS 45 2HE LYS 45 -0.234 -0.389 -10.749 332 HE3 LYS 45 3HE LYS 45 -0.182 1.153 -9.881 333 HZ1 LYS 45 1HZ LYS 45 0.428 1.268 -12.259 334 HZ2 LYS 45 2HZ LYS 45 1.798 0.412 -11.923 335 HZ3 LYS 45 3HZ LYS 45 1.606 1.866 -11.233 336 H LEU 46 HN LEU 46 -0.067 -4.308 -7.109 337 HA LEU 46 HA LEU 46 1.850 -5.985 -5.711 338 HB2 LEU 46 2HB LEU 46 0.022 -5.807 -4.074 339 HB3 LEU 46 3HB LEU 46 -1.157 -6.325 -5.271 340 HG LEU 46 HG LEU 46 1.180 -8.165 -4.906 341 HD11 LEU 46 1HD1 LEU 46 0.839 -7.449 -2.589 342 HD12 LEU 46 2HD1 LEU 46 0.378 -9.133 -2.829 343 HD13 LEU 46 3HD1 LEU 46 -0.886 -7.889 -2.688 344 HD21 LEU 46 1HD2 LEU 46 -0.815 -8.734 -6.339 345 HD22 LEU 46 2HD2 LEU 46 -1.831 -8.692 -4.886 346 HD23 LEU 46 3HD2 LEU 46 -0.537 -9.899 -5.042 347 H LEU 47 HN LEU 47 2.133 -7.917 -6.877 348 HA LEU 47 HA LEU 47 0.608 -8.307 -9.372 349 HB2 LEU 47 2HB LEU 47 2.544 -6.680 -9.825 350 HB3 LEU 47 3HB LEU 47 3.624 -7.998 -9.378 351 HG LEU 47 HG LEU 47 2.355 -9.366 -11.236 352 HD11 LEU 47 1HD1 LEU 47 1.882 -6.472 -12.107 353 HD12 LEU 47 2HD1 LEU 47 0.636 -7.645 -11.635 354 HD13 LEU 47 3HD1 LEU 47 1.590 -7.917 -13.094 355 HD21 LEU 47 1HD2 LEU 47 4.369 -7.158 -11.839 356 HD22 LEU 47 2HD2 LEU 47 3.975 -8.518 -12.915 357 HD23 LEU 47 3HD2 LEU 47 4.725 -8.826 -11.350 358 H SER 48 HN SER 48 3.478 -9.322 -7.348 359 HA SER 48 HA SER 48 2.941 -12.128 -7.740 360 HB2 SER 48 2HB SER 48 4.650 -12.513 -9.351 361 HB3 SER 48 3HB SER 48 3.764 -11.111 -9.903 362 HG SER 48 HG SER 48 5.440 -9.817 -8.909 363 HA PRO 49 HA PRO 49 5.660 -13.587 -7.907 364 HB2 PRO 49 2HB PRO 49 6.232 -15.632 -6.181 365 HB3 PRO 49 3HB PRO 49 7.390 -14.393 -6.714 366 HG2 PRO 49 2HG PRO 49 5.762 -14.452 -4.181 367 HG3 PRO 49 3HG PRO 49 7.496 -14.073 -4.360 368 HD2 PRO 49 2HD PRO 49 5.630 -12.132 -4.127 369 HD3 PRO 49 3HD PRO 49 7.016 -11.933 -5.212 370 H ASP 50 HN ASP 50 3.805 -14.420 -4.977 371 HA ASP 50 HA ASP 50 1.697 -15.699 -6.601 372 HB2 ASP 50 2HB ASP 50 0.557 -16.014 -4.435 373 HB3 ASP 50 3HB ASP 50 2.080 -16.859 -4.601 374 H GLY 51 HN GLY 51 -0.549 -14.764 -6.358 375 HA2 GLY 51 2HA GLY 51 -0.421 -11.818 -6.703 376 HA3 GLY 51 1HA GLY 51 -0.750 -12.915 -8.056 377 H ASP 52 HN ASP 52 -2.846 -13.979 -8.126 378 HA ASP 52 HA ASP 52 -5.108 -13.030 -7.082 379 HB2 ASP 52 2HB ASP 52 -4.451 -15.201 -8.612 380 HB3 ASP 52 3HB ASP 52 -4.978 -16.025 -7.158 381 H ASN 53 HN ASN 53 -3.127 -15.494 -5.511 382 HA ASN 53 HA ASN 53 -4.637 -16.037 -3.204 383 HB2 ASN 53 2HB ASN 53 -2.481 -17.125 -4.209 384 HB3 ASN 53 3HB ASN 53 -1.585 -15.989 -3.233 385 HD21 ASN 53 1HD2 ASN 53 -1.869 -16.172 -0.776 386 HD22 ASN 53 2HD2 ASN 53 -2.351 -17.774 -0.234 387 H ALA 54 HN ALA 54 -1.877 -13.840 -3.556 388 HA ALA 54 HA ALA 54 -1.962 -12.721 -0.938 389 HB1 ALA 54 1HB ALA 54 0.069 -12.845 -2.317 390 HB2 ALA 54 2HB ALA 54 -0.665 -11.810 -3.551 391 HB3 ALA 54 3HB ALA 54 -0.306 -11.151 -1.946 392 H TRP 55 HN TRP 55 -3.287 -11.699 -4.047 393 HA TRP 55 HA TRP 55 -4.300 -9.109 -3.336 394 HB2 TRP 55 2HB TRP 55 -4.163 -9.794 -5.619 395 HB3 TRP 55 3HB TRP 55 -5.157 -11.233 -5.348 396 HD1 TRP 55 1HD TRP 55 -7.248 -10.858 -6.683 397 HE1 TRP 55 1HE TRP 55 -8.909 -8.888 -7.115 398 HE3 TRP 55 3HE TRP 55 -4.948 -7.270 -3.976 399 HZ2 TRP 55 2HZ TRP 55 -9.309 -6.184 -6.018 400 HZ3 TRP 55 3HZ TRP 55 -5.808 -4.962 -3.891 401 HH2 TRP 55 2HH TRP 55 -8.012 -4.414 -4.928 402 H SER 56 HN SER 56 -6.035 -12.333 -3.327 403 HA SER 56 HA SER 56 -8.292 -11.192 -2.189 404 HB2 SER 56 2HB SER 56 -7.276 -14.036 -1.727 405 HB3 SER 56 3HB SER 56 -8.940 -13.468 -1.500 406 HG SER 56 HG SER 56 -8.714 -12.785 -3.845 407 H VAL 57 HN VAL 57 -5.567 -12.823 -0.460 408 HA VAL 57 HA VAL 57 -6.569 -12.299 2.122 409 HB VAL 57 HB VAL 57 -3.652 -12.500 1.208 410 HG11 VAL 57 1HG1 VAL 57 -3.942 -11.609 3.575 411 HG12 VAL 57 2HG1 VAL 57 -4.805 -13.100 3.981 412 HG13 VAL 57 3HG1 VAL 57 -3.100 -13.140 3.458 413 HG21 VAL 57 1HG2 VAL 57 -5.597 -14.616 2.273 414 HG22 VAL 57 2HG2 VAL 57 -4.999 -14.518 0.619 415 HG23 VAL 57 3HG2 VAL 57 -3.883 -14.890 1.931 416 H MET 58 HN MET 58 -4.476 -10.133 0.074 417 HA MET 58 HA MET 58 -4.029 -8.183 2.041 418 HB2 MET 58 2HB MET 58 -2.812 -8.221 -0.078 419 HB3 MET 58 3HB MET 58 -4.294 -7.864 -0.974 420 HG2 MET 58 2HG MET 58 -4.438 -5.672 0.096 421 HG3 MET 58 3HG MET 58 -3.102 -6.070 1.160 422 HE1 MET 58 1HE MET 58 -4.312 -5.514 -2.368 423 HE2 MET 58 2HE MET 58 -2.871 -5.093 -3.337 424 HE3 MET 58 3HE MET 58 -3.160 -6.781 -2.853 425 H TYR 59 HN TYR 59 -6.782 -8.500 -0.295 426 HA TYR 59 HA TYR 59 -8.052 -6.099 0.538 427 HB2 TYR 59 2HB TYR 59 -8.765 -7.239 -1.490 428 HB3 TYR 59 3HB TYR 59 -9.236 -8.665 -0.582 429 HD1 TYR 59 1HD TYR 59 -11.602 -8.922 -0.518 430 HD2 TYR 59 2HD TYR 59 -9.921 -4.982 -0.154 431 HE1 TYR 59 1HE TYR 59 -13.848 -8.002 -0.271 432 HE2 TYR 59 2HE TYR 59 -12.178 -4.020 0.064 433 HH TYR 59 HH TYR 59 -15.050 -6.121 0.329 434 H LYS 60 HN LYS 60 -8.551 -9.516 1.687 435 HA LYS 60 HA LYS 60 -10.566 -8.875 3.473 436 HB2 LYS 60 2HB LYS 60 -8.612 -11.128 3.972 437 HB3 LYS 60 3HB LYS 60 -10.295 -10.966 4.469 438 HG2 LYS 60 2HG LYS 60 -10.457 -10.689 1.690 439 HG3 LYS 60 3HG LYS 60 -9.142 -11.831 1.936 440 HD2 LYS 60 2HD LYS 60 -11.947 -12.137 3.003 441 HD3 LYS 60 3HD LYS 60 -11.275 -12.840 1.508 442 HE2 LYS 60 2HE LYS 60 -9.792 -14.259 2.630 443 HE3 LYS 60 3HE LYS 60 -10.069 -13.473 4.192 444 HZ1 LYS 60 1HZ LYS 60 -11.292 -15.631 3.747 445 HZ2 LYS 60 2HZ LYS 60 -12.278 -14.787 2.727 446 HZ3 LYS 60 3HZ LYS 60 -12.196 -14.411 4.322 447 H LEU 61 HN LEU 61 -7.057 -9.158 4.084 448 HA LEU 61 HA LEU 61 -7.167 -8.498 6.860 449 HB2 LEU 61 2HB LEU 61 -5.001 -8.596 4.768 450 HB3 LEU 61 3HB LEU 61 -4.688 -7.674 6.219 451 HG LEU 61 HG LEU 61 -3.863 -10.019 6.299 452 HD11 LEU 61 1HD1 LEU 61 -4.478 -10.414 8.610 453 HD12 LEU 61 2HD1 LEU 61 -5.893 -9.353 8.469 454 HD13 LEU 61 3HD1 LEU 61 -4.261 -8.677 8.341 455 HD21 LEU 61 1HD2 LEU 61 -6.775 -10.841 6.630 456 HD22 LEU 61 2HD2 LEU 61 -5.340 -11.882 6.696 457 HD23 LEU 61 3HD2 LEU 61 -5.809 -11.112 5.167 458 H SER 62 HN SER 62 -6.856 -6.401 3.915 459 HA SER 62 HA SER 62 -6.399 -4.048 5.406 460 HB2 SER 62 2HB SER 62 -6.082 -4.171 2.972 461 HB3 SER 62 3HB SER 62 -7.833 -4.335 2.748 462 HG SER 62 HG SER 62 -6.638 -2.162 4.141 463 H GLN 63 HN GLN 63 -9.566 -5.608 4.462 464 HA GLN 63 HA GLN 63 -11.182 -3.546 5.658 465 HB2 GLN 63 2HB GLN 63 -11.827 -6.518 5.443 466 HB3 GLN 63 3HB GLN 63 -12.959 -5.199 5.710 467 HG2 GLN 63 2HG GLN 63 -11.762 -4.339 3.400 468 HG3 GLN 63 3HG GLN 63 -11.607 -6.082 3.196 469 HE21 GLN 63 1HE2 GLN 63 -13.646 -3.431 2.741 470 HE22 GLN 63 2HE2 GLN 63 -15.135 -4.320 2.434 471 H ALA 64 HN ALA 64 -9.967 -6.655 6.920 472 HA ALA 64 HA ALA 64 -10.911 -6.399 9.555 473 HB1 ALA 64 1HB ALA 64 -9.381 -8.244 10.041 474 HB2 ALA 64 2HB ALA 64 -10.165 -8.516 8.475 475 HB3 ALA 64 3HB ALA 64 -8.485 -7.938 8.551 476 H LEU 65 HN LEU 65 -8.122 -4.804 8.159 477 HA LEU 65 HA LEU 65 -7.047 -3.996 10.780 478 HB2 LEU 65 2HB LEU 65 -6.238 -3.651 7.870 479 HB3 LEU 65 3HB LEU 65 -5.442 -2.768 9.154 480 HG LEU 65 HG LEU 65 -5.616 -5.805 9.197 481 HD11 LEU 65 1HD1 LEU 65 -3.395 -4.049 8.056 482 HD12 LEU 65 2HD1 LEU 65 -4.514 -5.090 7.134 483 HD13 LEU 65 3HD1 LEU 65 -3.344 -5.824 8.250 484 HD21 LEU 65 1HD2 LEU 65 -3.764 -3.817 10.572 485 HD22 LEU 65 2HD2 LEU 65 -3.720 -5.606 10.725 486 HD23 LEU 65 3HD2 LEU 65 -5.105 -4.699 11.335 487 H SER 66 HN SER 66 -8.848 -2.665 8.034 488 HA SER 66 HA SER 66 -8.719 0.084 8.793 489 HB2 SER 66 2HB SER 66 -9.539 -0.986 6.575 490 HB3 SER 66 3HB SER 66 -11.067 -1.300 7.408 491 HG SER 66 HG SER 66 -11.294 0.959 7.627 492 H ASP 67 HN ASP 67 -10.708 -2.670 9.754 493 HA ASP 67 HA ASP 67 -12.491 -1.329 11.461 494 HB2 ASP 67 2HB ASP 67 -12.046 -3.936 10.651 495 HB3 ASP 67 3HB ASP 67 -11.576 -4.037 12.336 496 H ILE 68 HN ILE 68 -9.102 -1.592 11.982 497 HA ILE 68 HA ILE 68 -9.343 -1.903 14.913 498 HB ILE 68 HB ILE 68 -6.930 -2.269 13.086 499 HG12 ILE 68 2HG1 ILE 68 -8.640 -3.772 12.390 500 HG13 ILE 68 3HG1 ILE 68 -7.302 -4.646 13.115 501 HG21 ILE 68 1HG2 ILE 68 -7.442 -3.199 15.908 502 HG22 ILE 68 2HG2 ILE 68 -6.032 -3.640 14.921 503 HG23 ILE 68 3HG2 ILE 68 -6.286 -1.955 15.401 504 HD11 ILE 68 1HD1 ILE 68 -9.541 -5.584 13.741 505 HD12 ILE 68 2HD1 ILE 68 -8.603 -5.074 15.155 506 HD13 ILE 68 3HD1 ILE 68 -9.935 -4.065 14.549 507 H GLU 69 HN GLU 69 -7.406 -0.201 12.495 508 HA GLU 69 HA GLU 69 -7.753 2.388 13.530 509 HB2 GLU 69 2HB GLU 69 -5.485 2.878 14.395 510 HB3 GLU 69 3HB GLU 69 -6.411 1.846 15.451 511 HG2 GLU 69 2HG GLU 69 -5.133 -0.010 15.103 512 HG3 GLU 69 3HG GLU 69 -4.778 0.400 13.435 513 H VAL 70 HN VAL 70 -7.071 0.451 10.980 514 HA VAL 70 HA VAL 70 -4.976 2.228 9.793 515 HB VAL 70 HB VAL 70 -5.388 -0.671 9.142 516 HG11 VAL 70 1HG1 VAL 70 -3.971 0.934 7.698 517 HG12 VAL 70 2HG1 VAL 70 -2.828 0.941 9.047 518 HG13 VAL 70 3HG1 VAL 70 -3.232 -0.583 8.206 519 HG21 VAL 70 1HG2 VAL 70 -4.924 -0.802 11.498 520 HG22 VAL 70 2HG2 VAL 70 -3.456 -1.223 10.624 521 HG23 VAL 70 3HG2 VAL 70 -3.602 0.392 11.350 522 HA PRO 71 HA PRO 71 -8.852 2.370 7.206 523 HB2 PRO 71 2HB PRO 71 -9.010 5.049 6.748 524 HB3 PRO 71 3HB PRO 71 -9.588 4.290 8.252 525 HG2 PRO 71 2HG PRO 71 -6.886 5.603 7.783 526 HG3 PRO 71 3HG PRO 71 -8.049 5.912 9.117 527 HD2 PRO 71 2HD PRO 71 -5.968 4.199 9.428 528 HD3 PRO 71 3HD PRO 71 -7.574 3.825 10.130 529 H CYS 72 HN CYS 72 -8.535 1.757 5.172 530 HA CYS 72 HA CYS 72 -6.366 2.870 3.473 531 HB2 CYS 72 2HB CYS 72 -6.875 -0.059 4.057 532 HB3 CYS 72 3HB CYS 72 -5.780 0.549 2.802 533 HG CYS 72 HG CYS 72 -5.687 1.133 6.056 534 H SER 73 HN SER 73 -6.711 1.713 1.164 535 HA SER 73 HA SER 73 -9.569 1.173 0.566 536 HB2 SER 73 2HB SER 73 -8.394 3.656 0.005 537 HB3 SER 73 3HB SER 73 -8.131 2.736 -1.494 538 HG SER 73 HG SER 73 -10.628 3.194 -0.151 539 H VAL 74 HN VAL 74 -9.822 -0.275 -1.260 540 HA VAL 74 HA VAL 74 -7.331 -1.488 -2.307 541 HB VAL 74 HB VAL 74 -9.683 -3.136 -1.347 542 HG11 VAL 74 1HG1 VAL 74 -6.861 -3.711 -2.258 543 HG12 VAL 74 2HG1 VAL 74 -7.635 -4.840 -1.149 544 HG13 VAL 74 3HG1 VAL 74 -8.397 -4.485 -2.683 545 HG21 VAL 74 1HG2 VAL 74 -8.293 -3.696 0.713 546 HG22 VAL 74 2HG2 VAL 74 -7.404 -2.199 0.415 547 HG23 VAL 74 3HG2 VAL 74 -9.146 -2.159 0.700 548 H LEU 75 HN LEU 75 -7.455 -1.267 -4.494 549 HA LEU 75 HA LEU 75 -10.123 -1.347 -5.809 550 HB2 LEU 75 2HB LEU 75 -7.868 0.667 -6.255 551 HB3 LEU 75 3HB LEU 75 -9.211 0.377 -7.350 552 HG LEU 75 HG LEU 75 -10.802 0.965 -5.551 553 HD11 LEU 75 1HD1 LEU 75 -9.432 0.968 -3.525 554 HD12 LEU 75 2HD1 LEU 75 -10.100 2.551 -3.809 555 HD13 LEU 75 3HD1 LEU 75 -8.395 2.240 -4.197 556 HD21 LEU 75 1HD2 LEU 75 -8.916 3.192 -6.444 557 HD22 LEU 75 2HD2 LEU 75 -10.602 3.398 -5.932 558 HD23 LEU 75 3HD2 LEU 75 -10.243 2.514 -7.423 559 H GLU 76 HN GLU 76 -9.998 -2.196 -8.038 560 HA GLU 76 HA GLU 76 -7.424 -3.005 -9.029 561 HB2 GLU 76 2HB GLU 76 -8.008 -5.311 -9.538 562 HB3 GLU 76 3HB GLU 76 -8.082 -5.066 -7.801 563 HG2 GLU 76 2HG GLU 76 -10.611 -4.784 -8.046 564 HG3 GLU 76 3HG GLU 76 -10.428 -5.225 -9.740 565 H CYS 77 HN CYS 77 -7.494 -3.243 -11.342 566 HA CYS 77 HA CYS 77 -9.985 -3.545 -12.626 567 HB2 CYS 77 2HB CYS 77 -9.576 -0.898 -12.341 568 HB3 CYS 77 3HB CYS 77 -8.428 -1.162 -13.671 569 HG CYS 77 HG CYS 77 -11.640 -1.862 -13.388 570 H GLU 78 HN GLU 78 -9.505 -4.432 -14.747 571 HA GLU 78 HA GLU 78 -8.365 -5.505 -16.322 572 HB2 GLU 78 2HB GLU 78 -7.285 -2.932 -16.196 573 HB3 GLU 78 3HB GLU 78 -5.860 -3.960 -16.134 574 HG2 GLU 78 2HG GLU 78 -6.751 -5.236 -18.063 575 HG3 GLU 78 3HG GLU 78 -8.047 -4.043 -18.241 576 H GLY 79 HN GLY 79 -7.707 -6.091 -13.329 577 HA2 GLY 79 2HA GLY 79 -6.584 -7.831 -12.284 578 HA3 GLY 79 1HA GLY 79 -5.705 -8.188 -13.775 579 H GLU 80 HN GLU 80 -5.569 -4.815 -12.867 580 HA GLU 80 HA GLU 80 -2.895 -5.191 -11.648 581 HB2 GLU 80 2HB GLU 80 -2.691 -4.099 -13.741 582 HB3 GLU 80 3HB GLU 80 -3.941 -2.931 -13.351 583 HG2 GLU 80 2HG GLU 80 -2.492 -1.592 -12.233 584 HG3 GLU 80 3HG GLU 80 -1.792 -2.925 -11.339 585 HA PRO 81 HA PRO 81 -5.653 -3.693 -8.311 586 HB2 PRO 81 2HB PRO 81 -4.546 -4.990 -6.202 587 HB3 PRO 81 3HB PRO 81 -5.629 -5.814 -7.371 588 HG2 PRO 81 2HG PRO 81 -2.603 -5.778 -7.311 589 HG3 PRO 81 3HG PRO 81 -3.682 -7.197 -7.493 590 HD2 PRO 81 2HD PRO 81 -2.536 -5.958 -9.641 591 HD3 PRO 81 3HD PRO 81 -4.186 -6.648 -9.722 592 H CYS 82 HN CYS 82 -5.339 -2.230 -6.594 593 HA CYS 82 HA CYS 82 -2.618 -1.302 -5.949 594 HB2 CYS 82 2HB CYS 82 -4.906 0.427 -6.965 595 HB3 CYS 82 3HB CYS 82 -3.600 1.078 -5.968 596 HG CYS 82 HG CYS 82 -3.384 -0.516 -8.864 597 H LEU 83 HN LEU 83 -2.533 -0.179 -3.947 598 HA LEU 83 HA LEU 83 -4.827 -0.542 -2.110 599 HB2 LEU 83 2HB LEU 83 -2.996 -2.501 -2.176 600 HB3 LEU 83 3HB LEU 83 -1.986 -1.331 -1.354 601 HG LEU 83 HG LEU 83 -2.957 -2.792 0.276 602 HD11 LEU 83 1HD1 LEU 83 -2.902 -0.365 0.906 603 HD12 LEU 83 2HD1 LEU 83 -4.057 -1.369 1.809 604 HD13 LEU 83 3HD1 LEU 83 -4.645 -0.297 0.544 605 HD21 LEU 83 1HD2 LEU 83 -5.659 -2.140 -0.863 606 HD22 LEU 83 2HD2 LEU 83 -5.321 -3.186 0.547 607 HD23 LEU 83 3HD2 LEU 83 -4.775 -3.655 -1.073 608 H PHE 84 HN PHE 84 -5.072 1.271 -0.976 609 HA PHE 84 HA PHE 84 -2.915 3.350 -1.078 610 HB2 PHE 84 2HB PHE 84 -5.950 3.663 -0.861 611 HB3 PHE 84 3HB PHE 84 -4.770 4.959 -0.954 612 HD1 PHE 84 1HD PHE 84 -4.069 5.800 -3.088 613 HD2 PHE 84 2HD PHE 84 -6.180 2.049 -2.914 614 HE1 PHE 84 1HE PHE 84 -4.058 5.677 -5.556 615 HE2 PHE 84 2HE PHE 84 -6.157 1.927 -5.373 616 HZ PHE 84 HZ PHE 84 -5.063 3.726 -6.713 617 H VAL 85 HN VAL 85 -2.090 3.903 0.823 618 HA VAL 85 HA VAL 85 -3.338 3.074 3.366 619 HB VAL 85 HB VAL 85 -0.685 2.628 3.861 620 HG11 VAL 85 1HG1 VAL 85 -2.771 0.648 2.909 621 HG12 VAL 85 2HG1 VAL 85 -1.161 0.134 3.483 622 HG13 VAL 85 3HG1 VAL 85 -2.235 1.000 4.565 623 HG21 VAL 85 1HG2 VAL 85 -0.106 2.878 1.431 624 HG22 VAL 85 2HG2 VAL 85 0.409 1.375 2.229 625 HG23 VAL 85 3HG2 VAL 85 -0.990 1.371 1.131 626 H ASN 86 HN ASN 86 -2.126 4.239 5.239 627 HA ASN 86 HA ASN 86 -1.936 7.020 4.412 628 HB2 ASN 86 2HB ASN 86 -1.647 5.792 7.144 629 HB3 ASN 86 3HB ASN 86 -1.673 7.490 6.826 630 HD21 ASN 86 1HD2 ASN 86 -3.523 4.690 7.516 631 HD22 ASN 86 2HD2 ASN 86 -5.086 5.214 7.007 632 H ARG 87 HN ARG 87 0.257 5.712 6.739 633 HA ARG 87 HA ARG 87 2.582 6.187 4.866 634 HB2 ARG 87 2HB ARG 87 2.041 8.353 6.008 635 HB3 ARG 87 3HB ARG 87 2.405 7.597 7.554 636 HG2 ARG 87 2HG ARG 87 4.406 8.623 7.121 637 HG3 ARG 87 3HG ARG 87 4.741 7.035 6.421 638 HD2 ARG 87 2HD ARG 87 4.119 7.919 4.180 639 HD3 ARG 87 3HD ARG 87 3.879 9.514 4.902 640 HE ARG 87 HE ARG 87 6.262 9.399 5.677 641 HH11 ARG 87 1HH1 ARG 87 5.538 7.101 3.021 642 HH12 ARG 87 2HH1 ARG 87 6.981 7.499 2.148 643 HH21 ARG 87 1HH2 ARG 87 8.334 9.551 4.652 644 HH22 ARG 87 2HH2 ARG 87 8.601 8.763 3.158 645 H GLN 88 HN GLN 88 2.083 5.443 8.321 646 HA GLN 88 HA GLN 88 4.436 3.622 8.323 647 HB2 GLN 88 2HB GLN 88 3.224 2.908 10.590 648 HB3 GLN 88 3HB GLN 88 4.360 4.221 10.457 649 HG2 GLN 88 2HG GLN 88 1.453 4.932 10.094 650 HG3 GLN 88 3HG GLN 88 1.957 4.420 11.679 651 HE21 GLN 88 1HE2 GLN 88 1.902 7.205 9.638 652 HE22 GLN 88 2HE2 GLN 88 3.105 8.125 10.532 653 H ASP 89 HN ASP 89 1.130 3.514 7.564 654 HA ASP 89 HA ASP 89 0.373 1.043 8.345 655 HB2 ASP 89 2HB ASP 89 -0.681 2.581 5.981 656 HB3 ASP 89 3HB ASP 89 -1.542 1.370 6.918 657 H GLU 90 HN GLU 90 2.235 1.962 5.495 658 HA GLU 90 HA GLU 90 1.804 -0.506 4.091 659 HB2 GLU 90 2HB GLU 90 3.862 0.057 2.809 660 HB3 GLU 90 3HB GLU 90 2.575 1.256 2.708 661 HG2 GLU 90 2HG GLU 90 3.789 2.893 3.657 662 HG3 GLU 90 3HG GLU 90 4.545 1.847 4.841 663 H PHE 91 HN PHE 91 4.273 0.662 6.385 664 HA PHE 91 HA PHE 91 5.925 -1.645 6.252 665 HB2 PHE 91 2HB PHE 91 6.906 0.254 6.924 666 HB3 PHE 91 3HB PHE 91 5.720 0.671 8.171 667 HD1 PHE 91 1HD PHE 91 9.062 -0.067 7.760 668 HD2 PHE 91 2HD PHE 91 5.693 -1.367 10.139 669 HE1 PHE 91 1HE PHE 91 10.581 -1.092 9.376 670 HE2 PHE 91 2HE PHE 91 7.227 -2.384 11.748 671 HZ PHE 91 HZ PHE 91 9.686 -2.302 11.357 672 H ALA 92 HN ALA 92 3.480 -0.542 8.513 673 HA ALA 92 HA ALA 92 3.310 -2.817 10.191 674 HB1 ALA 92 1HB ALA 92 2.085 -0.779 10.685 675 HB2 ALA 92 2HB ALA 92 1.102 -0.950 9.223 676 HB3 ALA 92 3HB ALA 92 0.932 -2.131 10.539 677 H ALA 93 HN ALA 93 1.505 -2.157 7.135 678 HA ALA 93 HA ALA 93 0.092 -4.575 7.112 679 HB1 ALA 93 1HB ALA 93 0.875 -2.759 4.797 680 HB2 ALA 93 2HB ALA 93 -0.318 -4.074 4.735 681 HB3 ALA 93 3HB ALA 93 -0.610 -2.679 5.774 682 H THR 94 HN THR 94 3.269 -3.800 5.434 683 HA THR 94 HA THR 94 3.384 -6.426 4.332 684 HB THR 94 HB THR 94 4.688 -4.584 3.427 685 HG1 THR 94 1HG THR 94 6.231 -5.791 2.780 686 HG21 THR 94 1HG2 THR 94 5.504 -3.510 5.473 687 HG22 THR 94 2HG2 THR 94 6.799 -3.846 4.326 688 HG23 THR 94 3HG2 THR 94 6.600 -4.876 5.759 689 H CYS 95 HN CYS 95 4.681 -5.079 7.392 690 HA CYS 95 HA CYS 95 6.058 -7.283 8.295 691 HB2 CYS 95 2HB CYS 95 5.901 -5.022 9.420 692 HB3 CYS 95 3HB CYS 95 4.309 -5.499 10.036 693 HG CYS 95 HG CYS 95 5.483 -6.056 12.076 694 H ARG 96 HN ARG 96 2.632 -6.500 8.742 695 HA ARG 96 HA ARG 96 1.860 -8.811 10.153 696 HB2 ARG 96 2HB ARG 96 0.399 -6.699 8.484 697 HB3 ARG 96 3HB ARG 96 -0.483 -8.013 9.229 698 HG2 ARG 96 2HG ARG 96 0.003 -7.277 11.416 699 HG3 ARG 96 3HG ARG 96 1.348 -6.234 10.885 700 HD2 ARG 96 2HD ARG 96 -0.078 -4.629 9.915 701 HD3 ARG 96 3HD ARG 96 -1.436 -5.737 9.856 702 HE ARG 96 HE ARG 96 -2.010 -4.367 11.502 703 HH11 ARG 96 1HH1 ARG 96 1.031 -5.857 12.738 704 HH12 ARG 96 2HH1 ARG 96 0.645 -5.411 14.370 705 HH21 ARG 96 1HH2 ARG 96 -2.287 -3.659 13.651 706 HH22 ARG 96 2HH2 ARG 96 -1.221 -4.231 14.876 707 H LEU 97 HN LEU 97 1.530 -8.069 6.630 708 HA LEU 97 HA LEU 97 0.159 -10.567 6.133 709 HB2 LEU 97 2HB LEU 97 1.201 -8.304 4.423 710 HB3 LEU 97 3HB LEU 97 0.735 -9.806 3.664 711 HG LEU 97 HG LEU 97 -1.014 -8.012 3.705 712 HD11 LEU 97 1HD1 LEU 97 -2.859 -9.549 4.070 713 HD12 LEU 97 2HD1 LEU 97 -1.791 -10.682 4.934 714 HD13 LEU 97 3HD1 LEU 97 -1.540 -10.332 3.208 715 HD21 LEU 97 1HD2 LEU 97 -1.454 -8.781 6.622 716 HD22 LEU 97 2HD2 LEU 97 -2.435 -7.691 5.620 717 HD23 LEU 97 3HD2 LEU 97 -0.801 -7.227 6.051 718 H LYS 98 HN LYS 98 3.606 -9.632 5.990 719 HA LYS 98 HA LYS 98 4.647 -11.934 4.694 720 HB2 LYS 98 2HB LYS 98 5.644 -9.954 6.691 721 HB3 LYS 98 3HB LYS 98 6.305 -11.563 6.943 722 HG2 LYS 98 2HG LYS 98 7.852 -10.690 5.553 723 HG3 LYS 98 3HG LYS 98 6.801 -11.445 4.335 724 HD2 LYS 98 2HD LYS 98 5.570 -9.237 4.203 725 HD3 LYS 98 3HD LYS 98 6.772 -8.519 5.274 726 HE2 LYS 98 2HE LYS 98 7.485 -9.828 2.623 727 HE3 LYS 98 3HE LYS 98 6.959 -8.157 2.838 728 HZ1 LYS 98 1HZ LYS 98 9.341 -8.325 2.781 729 HZ2 LYS 98 2HZ LYS 98 9.356 -9.238 4.167 730 HZ3 LYS 98 3HZ LYS 98 8.817 -7.661 4.138 731 H ASN 99 HN ASN 99 3.545 -11.458 8.031 732 HA ASN 99 HA ASN 99 4.208 -14.009 9.056 733 HB2 ASN 99 2HB ASN 99 3.194 -11.624 10.056 734 HB3 ASN 99 3HB ASN 99 1.769 -12.643 10.134 735 HD21 ASN 99 1HD2 ASN 99 5.293 -12.704 10.870 736 HD22 ASN 99 2HD2 ASN 99 4.999 -13.166 12.526 737 H PHE 100 HN PHE 100 1.645 -13.088 6.906 738 HA PHE 100 HA PHE 100 -0.057 -15.392 7.526 739 HB2 PHE 100 2HB PHE 100 -0.735 -12.905 6.935 740 HB3 PHE 100 3HB PHE 100 -0.479 -13.414 5.279 741 HD1 PHE 100 1HD PHE 100 -1.942 -15.214 4.276 742 HD2 PHE 100 2HD PHE 100 -2.624 -13.630 8.231 743 HE1 PHE 100 1HE PHE 100 -4.221 -16.197 4.280 744 HE2 PHE 100 2HE PHE 100 -4.901 -14.626 8.225 745 HZ PHE 100 HZ PHE 100 -5.687 -15.923 6.254 746 H GLY 101 HN GLY 101 2.599 -14.631 5.439 747 HA2 GLY 101 2HA GLY 101 3.752 -16.320 4.285 748 HA3 GLY 101 1HA GLY 101 2.289 -17.289 4.208 749 H VAL 102 HN VAL 102 2.071 -13.939 3.075 750 HA VAL 102 HA VAL 102 1.760 -15.014 0.310 751 HB VAL 102 HB VAL 102 0.029 -13.259 0.062 752 HG11 VAL 102 1HG1 VAL 102 -0.544 -15.211 2.330 753 HG12 VAL 102 2HG1 VAL 102 -1.725 -14.439 1.246 754 HG13 VAL 102 3HG1 VAL 102 -0.557 -15.602 0.605 755 HG21 VAL 102 1HG2 VAL 102 0.203 -12.937 3.093 756 HG22 VAL 102 2HG2 VAL 102 0.736 -11.732 1.905 757 HG23 VAL 102 3HG2 VAL 102 -0.972 -12.193 1.997 758 H ALA 103 HN ALA 103 1.968 -13.462 -1.445 759 HA ALA 103 HA ALA 103 4.313 -11.822 -1.330 760 HB1 ALA 103 1HB ALA 103 2.000 -11.832 -3.318 761 HB2 ALA 103 2HB ALA 103 3.540 -11.002 -3.556 762 HB3 ALA 103 3HB ALA 103 3.506 -12.761 -3.460 763 H ILE 104 HN ILE 104 4.356 -9.531 -1.783 764 HA ILE 104 HA ILE 104 2.208 -7.911 -0.593 765 HB ILE 104 HB ILE 104 5.042 -7.457 0.216 766 HG12 ILE 104 2HG1 ILE 104 4.756 -9.925 0.777 767 HG13 ILE 104 3HG1 ILE 104 5.215 -8.824 2.023 768 HG21 ILE 104 1HG2 ILE 104 3.934 -6.747 2.329 769 HG22 ILE 104 2HG2 ILE 104 3.432 -5.826 0.934 770 HG23 ILE 104 3HG2 ILE 104 2.369 -7.088 1.600 771 HD11 ILE 104 1HD1 ILE 104 3.571 -10.555 2.751 772 HD12 ILE 104 2HD1 ILE 104 3.110 -8.895 3.119 773 HD13 ILE 104 3HD1 ILE 104 2.344 -9.740 1.761 774 H ALA 105 HN ALA 105 3.095 -5.509 -0.742 775 HA ALA 105 HA ALA 105 3.613 -4.856 -3.500 776 HB1 ALA 105 1HB ALA 105 3.195 -2.565 -2.685 777 HB2 ALA 105 2HB ALA 105 1.997 -3.652 -1.983 778 HB3 ALA 105 3HB ALA 105 3.386 -3.106 -1.008 779 H GLU 106 HN GLU 106 5.053 -2.379 -2.873 780 HA GLU 106 HA GLU 106 7.802 -3.203 -3.126 781 HB2 GLU 106 2HB GLU 106 6.449 -0.526 -2.588 782 HB3 GLU 106 3HB GLU 106 8.203 -0.737 -2.731 783 HG2 GLU 106 2HG GLU 106 7.788 -1.795 -5.013 784 HG3 GLU 106 3HG GLU 106 6.108 -1.227 -4.891 785 HA PRO 107 HA PRO 107 8.663 -3.678 1.192 786 HB2 PRO 107 2HB PRO 107 11.370 -3.130 1.281 787 HB3 PRO 107 3HB PRO 107 10.678 -4.614 0.559 788 HG2 PRO 107 2HG PRO 107 11.487 -2.060 -0.869 789 HG3 PRO 107 3HG PRO 107 11.885 -3.753 -1.314 790 HD2 PRO 107 2HD PRO 107 9.860 -2.515 -2.519 791 HD3 PRO 107 3HD PRO 107 9.681 -4.217 -1.979 792 H PHE 108 HN PHE 108 9.275 -2.594 3.092 793 HA PHE 108 HA PHE 108 8.679 0.221 3.193 794 HB2 PHE 108 2HB PHE 108 9.019 -0.158 5.639 795 HB3 PHE 108 3HB PHE 108 7.718 -1.026 4.885 796 HD1 PHE 108 1HD PHE 108 11.143 -2.392 4.455 797 HD2 PHE 108 2HD PHE 108 7.576 -2.568 6.883 798 HE1 PHE 108 1HE PHE 108 12.005 -4.389 5.604 799 HE2 PHE 108 2HE PHE 108 8.395 -4.594 7.945 800 HZ PHE 108 HZ PHE 108 10.653 -5.502 7.369 801 H SER 109 HN SER 109 10.750 0.621 1.609 802 HA SER 109 HA SER 109 12.808 1.669 3.419 803 HB2 SER 109 2HB SER 109 13.243 0.028 0.886 804 HB3 SER 109 3HB SER 109 14.471 1.108 1.573 805 HG SER 109 HG SER 109 14.068 -0.037 3.608 806 H ASN 110 HN ASN 110 14.228 3.262 1.888 807 HA ASN 110 HA ASN 110 12.371 5.290 1.050 808 HB2 ASN 110 2HB ASN 110 15.387 5.230 0.623 809 HB3 ASN 110 3HB ASN 110 14.293 6.611 0.483 810 HD21 ASN 110 1HD2 ASN 110 14.297 7.975 2.411 811 HD22 ASN 110 2HD2 ASN 110 14.684 7.283 3.966 812 H TYR 111 HN TYR 111 11.260 4.770 -0.746 813 HA TYR 111 HA TYR 111 10.695 4.325 -2.850 814 HB2 TYR 111 2HB TYR 111 11.824 5.843 -4.464 815 HB3 TYR 111 3HB TYR 111 11.288 6.588 -2.986 816 HD1 TYR 111 1HD TYR 111 14.378 5.165 -4.645 817 HD2 TYR 111 2HD TYR 111 12.763 7.928 -1.742 818 HE1 TYR 111 1HE TYR 111 16.610 6.124 -4.343 819 HE2 TYR 111 2HE TYR 111 14.993 8.919 -1.454 820 HH TYR 111 HH TYR 111 17.797 8.014 -3.477 821 H ASN 112 HN ASN 112 12.539 2.321 -1.882 822 HA ASN 112 HA ASN 112 13.342 0.268 -2.574 823 HB2 ASN 112 2HB ASN 112 12.837 0.888 -5.488 824 HB3 ASN 112 3HB ASN 112 13.043 -0.660 -4.702 825 HD21 ASN 112 1HD2 ASN 112 10.935 2.157 -4.932 826 HD22 ASN 112 2HD2 ASN 112 9.428 1.315 -4.509 827 HA PRO 113 HA PRO 113 17.355 2.231 -3.627 828 HB2 PRO 113 2HB PRO 113 18.753 1.401 -1.437 829 HB3 PRO 113 3HB PRO 113 17.659 2.814 -1.453 830 HG2 PRO 113 2HG PRO 113 17.137 0.081 -0.348 831 HG3 PRO 113 3HG PRO 113 16.711 1.661 0.357 832 HD2 PRO 113 2HD PRO 113 14.995 0.036 -1.157 833 HD3 PRO 113 3HD PRO 113 14.758 1.794 -0.913 834 H PHE 114 HN PHE 114 16.187 -0.937 -3.028 835 HA PHE 114 HA PHE 114 18.460 -2.201 -4.438 836 HB2 PHE 114 2HB PHE 114 18.084 -4.164 -3.084 837 HB3 PHE 114 3HB PHE 114 18.381 -2.746 -2.067 838 HD1 PHE 114 1HD PHE 114 16.817 -2.045 -0.398 839 HD2 PHE 114 2HD PHE 114 15.675 -5.052 -3.237 840 HE1 PHE 114 1HE PHE 114 14.894 -2.685 1.036 841 HE2 PHE 114 2HE PHE 114 13.759 -5.667 -1.838 842 HZ PHE 114 HZ PHE 114 13.407 -4.541 0.354 Start of MODEL 9 1 H THR 2 HN THR 2 8.302 -15.945 6.266 2 HA THR 2 HA THR 2 6.892 -15.090 3.775 3 HB THR 2 HB THR 2 7.321 -13.327 5.478 4 HG1 THR 2 1HG THR 2 8.958 -12.248 3.771 5 HG21 THR 2 1HG2 THR 2 10.285 -13.748 4.935 6 HG22 THR 2 2HG2 THR 2 9.463 -14.219 6.429 7 HG23 THR 2 3HG2 THR 2 9.521 -12.518 5.963 8 H SER 3 HN SER 3 8.207 -14.987 1.817 9 HA SER 3 HA SER 3 10.521 -16.831 1.864 10 HB2 SER 3 2HB SER 3 8.717 -15.749 -0.336 11 HB3 SER 3 3HB SER 3 10.291 -16.485 -0.685 12 HG SER 3 HG SER 3 8.028 -17.688 0.504 13 H LEU 4 HN LEU 4 12.302 -16.174 0.451 14 HA LEU 4 HA LEU 4 13.233 -13.389 0.932 15 HB2 LEU 4 2HB LEU 4 14.867 -15.895 0.381 16 HB3 LEU 4 3HB LEU 4 15.469 -14.323 0.907 17 HG LEU 4 HG LEU 4 13.765 -16.243 2.568 18 HD11 LEU 4 1HD1 LEU 4 16.670 -15.437 2.901 19 HD12 LEU 4 2HD1 LEU 4 16.124 -16.961 2.170 20 HD13 LEU 4 3HD1 LEU 4 15.761 -16.616 3.869 21 HD21 LEU 4 1HD2 LEU 4 15.032 -13.581 3.331 22 HD22 LEU 4 2HD2 LEU 4 14.262 -14.745 4.457 23 HD23 LEU 4 3HD2 LEU 4 13.287 -13.922 3.229 24 H GLN 5 HN GLN 5 11.486 -14.232 -1.190 25 HA GLN 5 HA GLN 5 12.939 -13.725 -3.660 26 HB2 GLN 5 2HB GLN 5 11.183 -16.040 -3.162 27 HB3 GLN 5 3HB GLN 5 11.491 -15.436 -4.779 28 HG2 GLN 5 2HG GLN 5 13.095 -16.891 -4.887 29 HG3 GLN 5 3HG GLN 5 14.027 -15.756 -3.928 30 HE21 GLN 5 1HE2 GLN 5 13.344 -18.979 -4.147 31 HE22 GLN 5 2HE2 GLN 5 13.583 -19.416 -2.472 32 H LEU 6 HN LEU 6 10.837 -13.788 -5.306 33 HA LEU 6 HA LEU 6 9.633 -12.385 -6.252 34 HB2 LEU 6 2HB LEU 6 7.303 -12.579 -4.575 35 HB3 LEU 6 3HB LEU 6 7.516 -12.922 -6.253 36 HG LEU 6 HG LEU 6 6.787 -14.844 -5.045 37 HD11 LEU 6 1HD1 LEU 6 8.425 -16.583 -5.518 38 HD12 LEU 6 2HD1 LEU 6 9.617 -15.326 -5.898 39 HD13 LEU 6 3HD1 LEU 6 8.139 -15.513 -6.863 40 HD21 LEU 6 1HD2 LEU 6 7.435 -15.478 -3.020 41 HD22 LEU 6 2HD2 LEU 6 8.201 -13.877 -2.957 42 HD23 LEU 6 3HD2 LEU 6 9.150 -15.311 -3.411 43 H SER 7 HN SER 7 11.023 -11.001 -3.891 44 HA SER 7 HA SER 7 9.259 -9.099 -2.948 45 HB2 SER 7 2HB SER 7 12.297 -9.072 -3.107 46 HB3 SER 7 3HB SER 7 11.355 -7.837 -2.233 47 HG SER 7 HG SER 7 11.998 -10.280 -1.386 48 H ILE 8 HN ILE 8 9.028 -6.849 -3.272 49 HA ILE 8 HA ILE 8 8.741 -6.377 -6.135 50 HB ILE 8 HB ILE 8 7.793 -4.576 -3.896 51 HG12 ILE 8 2HG1 ILE 8 7.015 -6.732 -3.178 52 HG13 ILE 8 3HG1 ILE 8 5.663 -5.863 -3.859 53 HG21 ILE 8 1HG2 ILE 8 7.377 -3.584 -6.020 54 HG22 ILE 8 2HG2 ILE 8 6.806 -5.118 -6.722 55 HG23 ILE 8 3HG2 ILE 8 5.841 -4.258 -5.501 56 HD11 ILE 8 1HD1 ILE 8 5.895 -8.356 -4.394 57 HD12 ILE 8 2HD1 ILE 8 5.547 -7.273 -5.743 58 HD13 ILE 8 3HD1 ILE 8 7.176 -7.919 -5.516 59 H VAL 9 HN VAL 9 9.107 -3.973 -6.865 60 HA VAL 9 HA VAL 9 11.292 -2.646 -5.513 61 HB VAL 9 HB VAL 9 11.538 -3.239 -8.482 62 HG11 VAL 9 1HG1 VAL 9 13.423 -2.159 -6.348 63 HG12 VAL 9 2HG1 VAL 9 13.955 -2.544 -7.991 64 HG13 VAL 9 3HG1 VAL 9 12.777 -1.266 -7.734 65 HG21 VAL 9 1HG2 VAL 9 13.326 -4.835 -8.076 66 HG22 VAL 9 2HG2 VAL 9 13.065 -4.757 -6.336 67 HG23 VAL 9 3HG2 VAL 9 11.824 -5.443 -7.407 68 H HIS 10 HN HIS 10 11.101 -0.427 -5.885 69 HA HIS 10 HA HIS 10 10.749 1.476 -7.001 70 HB2 HIS 10 2HB HIS 10 11.061 -0.246 -9.027 71 HB3 HIS 10 3HB HIS 10 9.370 0.118 -9.320 72 HD1 HIS 10 1HD HIS 10 12.579 2.223 -8.701 73 HD2 HIS 10 2HD HIS 10 9.238 1.828 -11.224 74 HE1 HIS 10 1HE HIS 10 12.874 3.953 -10.581 75 H ARG 11 HN ARG 11 8.864 2.716 -8.241 76 HA ARG 11 HA ARG 11 6.862 3.700 -8.169 77 HB2 ARG 11 2HB ARG 11 6.034 1.331 -8.537 78 HB3 ARG 11 3HB ARG 11 5.561 1.307 -6.841 79 HG2 ARG 11 2HG ARG 11 4.701 3.573 -8.660 80 HG3 ARG 11 3HG ARG 11 3.930 2.010 -8.781 81 HD2 ARG 11 2HD ARG 11 3.441 2.161 -6.283 82 HD3 ARG 11 3HD ARG 11 3.903 3.857 -6.383 83 HE ARG 11 HE ARG 11 2.228 4.028 -8.276 84 HH11 ARG 11 1HH1 ARG 11 1.735 1.591 -5.769 85 HH12 ARG 11 2HH1 ARG 11 0.224 1.040 -6.482 86 HH21 ARG 11 1HH2 ARG 11 0.003 3.619 -8.826 87 HH22 ARG 11 2HH2 ARG 11 -0.756 2.229 -8.127 88 H LEU 12 HN LEU 12 8.402 4.768 -6.692 89 HA LEU 12 HA LEU 12 8.062 4.566 -3.866 90 HB2 LEU 12 2HB LEU 12 9.350 6.608 -5.727 91 HB3 LEU 12 3HB LEU 12 9.319 6.859 -4.001 92 HG LEU 12 HG LEU 12 11.449 5.993 -4.687 93 HD11 LEU 12 1HD1 LEU 12 9.954 3.883 -3.070 94 HD12 LEU 12 2HD1 LEU 12 10.608 5.411 -2.438 95 HD13 LEU 12 3HD1 LEU 12 11.690 4.175 -3.097 96 HD21 LEU 12 1HD2 LEU 12 10.146 3.381 -5.511 97 HD22 LEU 12 2HD2 LEU 12 11.860 3.794 -5.549 98 HD23 LEU 12 3HD2 LEU 12 10.750 4.619 -6.654 99 HA PRO 13 HA PRO 13 4.487 6.923 -3.196 100 HB2 PRO 13 2HB PRO 13 4.743 7.867 -0.665 101 HB3 PRO 13 3HB PRO 13 4.791 6.113 -1.019 102 HG2 PRO 13 2HG PRO 13 7.167 7.994 -0.747 103 HG3 PRO 13 3HG PRO 13 6.873 6.478 0.158 104 HD2 PRO 13 2HD PRO 13 8.389 6.484 -2.069 105 HD3 PRO 13 3HD PRO 13 7.248 5.143 -1.776 106 H GLN 14 HN GLN 14 3.790 9.226 -1.982 107 HA GLN 14 HA GLN 14 5.340 11.497 -2.824 108 HB2 GLN 14 2HB GLN 14 3.601 12.363 -4.357 109 HB3 GLN 14 3HB GLN 14 4.133 10.789 -4.958 110 HG2 GLN 14 2HG GLN 14 2.130 9.772 -3.716 111 HG3 GLN 14 3HG GLN 14 1.600 11.428 -3.406 112 HE21 GLN 14 1HE2 GLN 14 -0.011 9.562 -4.733 113 HE22 GLN 14 2HE2 GLN 14 -0.049 9.890 -6.459 114 H ASN 15 HN ASN 15 3.944 13.512 -2.221 115 HA ASN 15 HA ASN 15 2.387 12.968 0.209 116 HB2 ASN 15 2HB ASN 15 2.512 15.280 0.701 117 HB3 ASN 15 3HB ASN 15 4.119 14.630 0.445 118 HD21 ASN 15 1HD2 ASN 15 5.249 15.181 -1.724 119 HD22 ASN 15 2HD2 ASN 15 4.585 16.630 -2.514 120 H TYR 16 HN TYR 16 0.238 12.437 -0.304 121 HA TYR 16 HA TYR 16 -1.179 14.305 -2.047 122 HB2 TYR 16 2HB TYR 16 -2.044 12.685 -3.554 123 HB3 TYR 16 3HB TYR 16 -0.337 12.595 -3.617 124 HD1 TYR 16 1HD TYR 16 -3.015 10.855 -4.125 125 HD2 TYR 16 2HD TYR 16 0.424 10.520 -1.516 126 HE1 TYR 16 1HE TYR 16 -3.559 8.517 -3.705 127 HE2 TYR 16 2HE TYR 16 -0.006 8.145 -1.266 128 HH TYR 16 HH TYR 16 -1.799 6.464 -1.393 129 H ARG 17 HN ARG 17 -3.685 13.537 -1.955 130 HA ARG 17 HA ARG 17 -4.412 12.307 0.610 131 HB2 ARG 17 2HB ARG 17 -5.475 14.275 1.470 132 HB3 ARG 17 3HB ARG 17 -3.767 14.604 1.236 133 HG2 ARG 17 2HG ARG 17 -4.248 15.832 -0.880 134 HG3 ARG 17 3HG ARG 17 -5.964 15.480 -0.708 135 HD2 ARG 17 2HD ARG 17 -4.276 17.164 1.162 136 HD3 ARG 17 3HD ARG 17 -5.530 17.734 0.062 137 HE ARG 17 HE ARG 17 -5.825 16.323 2.631 138 HH11 ARG 17 1HH1 ARG 17 -7.685 17.299 -0.261 139 HH12 ARG 17 2HH1 ARG 17 -9.023 17.866 0.676 140 HH21 ARG 17 1HH2 ARG 17 -7.667 16.576 3.741 141 HH22 ARG 17 2HH2 ARG 17 -9.056 17.375 3.064 142 H TRP 18 HN TRP 18 -7.028 12.754 0.866 143 HA TRP 18 HA TRP 18 -8.320 11.885 -1.588 144 HB2 TRP 18 2HB TRP 18 -9.566 12.972 0.972 145 HB3 TRP 18 3HB TRP 18 -10.313 11.922 -0.222 146 HD1 TRP 18 1HD TRP 18 -9.498 11.608 3.091 147 HE1 TRP 18 1HE TRP 18 -8.789 9.250 3.786 148 HE3 TRP 18 3HE TRP 18 -8.115 9.736 -1.496 149 HZ2 TRP 18 2HZ TRP 18 -7.816 6.867 2.535 150 HZ3 TRP 18 3HZ TRP 18 -7.381 7.411 -1.716 151 HH2 TRP 18 2HH TRP 18 -7.264 5.938 0.278 152 H SER 19 HN SER 19 -9.996 13.212 -2.815 153 HA SER 19 HA SER 19 -9.128 16.030 -2.844 154 HB2 SER 19 2HB SER 19 -9.472 14.314 -4.826 155 HB3 SER 19 3HB SER 19 -11.171 14.825 -4.702 156 HG SER 19 HG SER 19 -10.296 17.008 -4.947 157 H ALA 20 HN ALA 20 -10.948 14.983 -0.687 158 HA ALA 20 HA ALA 20 -12.925 15.440 0.360 159 HB1 ALA 20 1HB ALA 20 -11.572 17.454 0.795 160 HB2 ALA 20 2HB ALA 20 -12.196 18.219 -0.675 161 HB3 ALA 20 3HB ALA 20 -13.295 17.867 0.680 162 H GLY 21 HN GLY 21 -13.457 14.224 -1.965 163 HA2 GLY 21 2HA GLY 21 -16.091 15.355 -2.718 164 HA3 GLY 21 1HA GLY 21 -14.980 14.845 -3.999 165 H PHE 22 HN PHE 22 -13.916 12.473 -2.798 166 HA PHE 22 HA PHE 22 -16.164 10.667 -2.291 167 HB2 PHE 22 2HB PHE 22 -14.528 9.948 -4.721 168 HB3 PHE 22 3HB PHE 22 -16.135 9.509 -4.291 169 HD1 PHE 22 1HD PHE 22 -13.879 12.172 -5.661 170 HD2 PHE 22 2HD PHE 22 -18.005 10.960 -5.130 171 HE1 PHE 22 1HE PHE 22 -14.578 13.871 -7.267 172 HE2 PHE 22 2HE PHE 22 -18.706 12.752 -6.699 173 HZ PHE 22 HZ PHE 22 -17.001 14.201 -7.784 174 H ALA 23 HN ALA 23 -14.670 10.699 -0.329 175 HA ALA 23 HA ALA 23 -11.936 10.162 -0.401 176 HB1 ALA 23 1HB ALA 23 -12.139 9.534 1.951 177 HB2 ALA 23 2HB ALA 23 -13.150 10.952 1.598 178 HB3 ALA 23 3HB ALA 23 -13.895 9.342 1.764 179 H GLY 24 HN GLY 24 -14.453 7.672 -0.798 180 HA2 GLY 24 2HA GLY 24 -12.563 5.502 -0.358 181 HA3 GLY 24 1HA GLY 24 -14.211 5.387 -0.987 182 H SER 25 HN SER 25 -13.431 7.461 -3.197 183 HA SER 25 HA SER 25 -11.886 5.625 -4.963 184 HB2 SER 25 2HB SER 25 -14.763 6.516 -5.369 185 HB3 SER 25 3HB SER 25 -13.776 5.700 -6.594 186 HG SER 25 HG SER 25 -13.484 4.009 -5.004 187 H LYS 26 HN LYS 26 -11.065 8.172 -3.914 188 HA LYS 26 HA LYS 26 -10.673 9.579 -6.477 189 HB2 LYS 26 2HB LYS 26 -12.562 10.639 -5.331 190 HB3 LYS 26 3HB LYS 26 -11.553 10.916 -3.915 191 HG2 LYS 26 2HG LYS 26 -11.725 12.910 -5.161 192 HG3 LYS 26 3HG LYS 26 -10.060 12.331 -5.216 193 HD2 LYS 26 2HD LYS 26 -10.751 11.381 -7.587 194 HD3 LYS 26 3HD LYS 26 -12.130 12.474 -7.422 195 HE2 LYS 26 2HE LYS 26 -9.700 13.890 -6.709 196 HE3 LYS 26 3HE LYS 26 -9.397 13.022 -8.209 197 HZ1 LYS 26 1HZ LYS 26 -11.580 14.953 -7.718 198 HZ2 LYS 26 2HZ LYS 26 -11.394 14.091 -9.104 199 HZ3 LYS 26 3HZ LYS 26 -10.257 15.186 -8.655 200 H VAL 27 HN VAL 27 -8.552 10.639 -6.471 201 HA VAL 27 HA VAL 27 -7.197 10.894 -3.892 202 HB VAL 27 HB VAL 27 -5.055 10.253 -4.941 203 HG11 VAL 27 1HG1 VAL 27 -5.318 7.826 -4.824 204 HG12 VAL 27 2HG1 VAL 27 -6.309 8.573 -3.573 205 HG13 VAL 27 3HG1 VAL 27 -7.064 7.955 -5.055 206 HG21 VAL 27 1HG2 VAL 27 -6.688 9.144 -7.250 207 HG22 VAL 27 2HG2 VAL 27 -5.586 10.544 -7.330 208 HG23 VAL 27 3HG2 VAL 27 -4.948 8.934 -6.995 209 H GLU 28 HN GLU 28 -5.734 12.788 -3.959 210 HA GLU 28 HA GLU 28 -5.504 14.227 -6.437 211 HB2 GLU 28 2HB GLU 28 -5.899 16.400 -5.672 212 HB3 GLU 28 3HB GLU 28 -7.373 15.437 -5.569 213 HG2 GLU 28 2HG GLU 28 -7.079 15.112 -3.234 214 HG3 GLU 28 3HG GLU 28 -5.468 15.798 -3.276 215 HA PRO 29 HA PRO 29 -1.394 14.603 -4.526 216 HB2 PRO 29 2HB PRO 29 -0.372 16.776 -5.856 217 HB3 PRO 29 3HB PRO 29 -0.541 15.145 -6.573 218 HG2 PRO 29 2HG PRO 29 -2.459 17.483 -6.823 219 HG3 PRO 29 3HG PRO 29 -1.782 16.476 -8.145 220 HD2 PRO 29 2HD PRO 29 -4.225 15.970 -7.144 221 HD3 PRO 29 3HD PRO 29 -3.122 14.606 -7.524 222 H ILE 30 HN ILE 30 -0.088 16.372 -3.312 223 HA ILE 30 HA ILE 30 -1.886 18.505 -2.252 224 HB ILE 30 HB ILE 30 0.487 17.274 -0.849 225 HG12 ILE 30 2HG1 ILE 30 -2.361 17.318 0.155 226 HG13 ILE 30 3HG1 ILE 30 -1.792 15.995 -0.851 227 HG21 ILE 30 1HG2 ILE 30 -0.385 18.912 0.990 228 HG22 ILE 30 2HG2 ILE 30 0.354 19.694 -0.415 229 HG23 ILE 30 3HG2 ILE 30 -1.414 19.613 -0.273 230 HD11 ILE 30 1HD1 ILE 30 0.052 15.528 0.746 231 HD12 ILE 30 2HD1 ILE 30 -0.568 16.803 1.818 232 HD13 ILE 30 3HD1 ILE 30 -1.550 15.370 1.481 233 HA PRO 31 HA PRO 31 1.249 20.603 -4.870 234 HB2 PRO 31 2HB PRO 31 -0.333 22.483 -5.982 235 HB3 PRO 31 3HB PRO 31 -0.356 20.785 -6.543 236 HG2 PRO 31 2HG PRO 31 -2.275 22.096 -4.583 237 HG3 PRO 31 3HG PRO 31 -2.680 21.107 -6.020 238 HD2 PRO 31 2HD PRO 31 -2.552 20.112 -3.483 239 HD3 PRO 31 3HD PRO 31 -2.115 19.130 -4.914 240 H GLN 32 HN GLN 32 1.962 20.934 -2.707 241 HA GLN 32 HA GLN 32 2.665 22.097 -0.901 242 HB2 GLN 32 2HB GLN 32 3.742 24.153 -1.434 243 HB3 GLN 32 3HB GLN 32 3.996 22.941 -2.670 244 HG2 GLN 32 2HG GLN 32 1.941 25.148 -2.951 245 HG3 GLN 32 3HG GLN 32 3.636 25.372 -3.375 246 HE21 GLN 32 1HE2 GLN 32 1.202 25.475 -5.126 247 HE22 GLN 32 2HE2 GLN 32 1.453 24.258 -6.368 248 H ASN 33 HN ASN 33 -0.116 22.004 -0.889 249 HA ASN 33 HA ASN 33 -1.178 24.526 0.158 250 HB2 ASN 33 2HB ASN 33 -2.206 21.657 0.467 251 HB3 ASN 33 3HB ASN 33 -2.971 23.068 1.166 252 HD21 ASN 33 1HD2 ASN 33 -1.559 23.267 -2.171 253 HD22 ASN 33 2HD2 ASN 33 -3.124 23.225 -2.914 254 H GLY 34 HN GLY 34 -0.133 21.439 1.709 255 HA2 GLY 34 2HA GLY 34 0.408 22.778 4.267 256 HA3 GLY 34 1HA GLY 34 -1.123 21.918 4.190 257 HA PRO 35 HA PRO 35 2.357 18.586 4.341 258 HB2 PRO 35 2HB PRO 35 4.945 19.438 4.622 259 HB3 PRO 35 3HB PRO 35 4.145 19.057 3.084 260 HG2 PRO 35 2HG PRO 35 4.581 21.791 4.317 261 HG3 PRO 35 3HG PRO 35 4.817 21.291 2.613 262 HD2 PRO 35 2HD PRO 35 2.567 22.577 3.573 263 HD3 PRO 35 3HD PRO 35 2.534 21.455 2.181 264 H CYS 36 HN CYS 36 1.981 17.964 6.257 265 HA CYS 36 HA CYS 36 2.508 19.655 8.679 266 HB2 CYS 36 2HB CYS 36 0.610 17.294 8.379 267 HB3 CYS 36 3HB CYS 36 0.805 18.343 9.796 268 HG CYS 36 HG CYS 36 0.014 20.548 8.705 269 H GLY 37 HN GLY 37 3.492 16.793 6.991 270 HA2 GLY 37 2HA GLY 37 5.836 16.360 7.581 271 HA3 GLY 37 1HA GLY 37 5.320 16.042 9.243 272 H ASP 38 HN ASP 38 4.155 14.103 9.683 273 HA ASP 38 HA ASP 38 4.727 11.993 7.700 274 HB2 ASP 38 2HB ASP 38 4.016 11.871 10.647 275 HB3 ASP 38 3HB ASP 38 4.509 10.505 9.649 276 H ASN 39 HN ASN 39 2.252 13.832 7.725 277 HA ASN 39 HA ASN 39 0.076 11.927 8.385 278 HB2 ASN 39 2HB ASN 39 0.061 14.971 8.022 279 HB3 ASN 39 3HB ASN 39 -1.327 13.991 8.477 280 HD21 ASN 39 1HD2 ASN 39 1.714 15.392 9.719 281 HD22 ASN 39 2HD2 ASN 39 1.433 14.876 11.360 282 H SER 40 HN SER 40 1.581 11.873 5.764 283 HA SER 40 HA SER 40 -0.308 12.739 3.697 284 HB2 SER 40 2HB SER 40 2.431 11.405 3.818 285 HB3 SER 40 3HB SER 40 1.568 11.659 2.304 286 HG SER 40 HG SER 40 3.076 13.349 3.036 287 H LEU 41 HN LEU 41 -0.315 10.941 1.902 288 HA LEU 41 HA LEU 41 -1.215 8.354 2.983 289 HB2 LEU 41 2HB LEU 41 -2.066 9.759 0.435 290 HB3 LEU 41 3HB LEU 41 -2.422 8.074 0.836 291 HG LEU 41 HG LEU 41 -3.393 10.531 2.372 292 HD11 LEU 41 1HD1 LEU 41 -4.891 8.498 0.678 293 HD12 LEU 41 2HD1 LEU 41 -4.477 10.149 0.208 294 HD13 LEU 41 3HD1 LEU 41 -5.595 9.875 1.555 295 HD21 LEU 41 1HD2 LEU 41 -3.666 7.561 2.940 296 HD22 LEU 41 2HD2 LEU 41 -4.856 8.744 3.533 297 HD23 LEU 41 3HD2 LEU 41 -3.167 8.868 4.035 298 H VAL 42 HN VAL 42 -0.361 6.573 1.683 299 HA VAL 42 HA VAL 42 1.761 7.207 -0.286 300 HB VAL 42 HB VAL 42 3.157 5.413 0.568 301 HG11 VAL 42 1HG1 VAL 42 3.487 7.824 1.250 302 HG12 VAL 42 2HG1 VAL 42 2.678 7.428 2.782 303 HG13 VAL 42 3HG1 VAL 42 4.181 6.612 2.346 304 HG21 VAL 42 1HG2 VAL 42 1.985 3.886 1.816 305 HG22 VAL 42 2HG2 VAL 42 2.863 4.751 3.045 306 HG23 VAL 42 3HG2 VAL 42 1.146 5.119 2.804 307 H ALA 43 HN ALA 43 2.159 5.105 -1.707 308 HA ALA 43 HA ALA 43 -0.495 3.977 -2.434 309 HB1 ALA 43 1HB ALA 43 1.353 5.620 -4.242 310 HB2 ALA 43 2HB ALA 43 -0.192 4.868 -4.702 311 HB3 ALA 43 3HB ALA 43 -0.152 6.219 -3.557 312 H LEU 44 HN LEU 44 -0.057 1.749 -2.575 313 HA LEU 44 HA LEU 44 2.581 0.973 -3.736 314 HB2 LEU 44 2HB LEU 44 1.251 -0.191 -1.267 315 HB3 LEU 44 3HB LEU 44 2.577 -0.906 -2.146 316 HG LEU 44 HG LEU 44 3.520 0.064 -0.260 317 HD11 LEU 44 1HD1 LEU 44 5.197 1.540 -1.142 318 HD12 LEU 44 2HD1 LEU 44 4.223 1.921 -2.564 319 HD13 LEU 44 3HD1 LEU 44 4.843 0.278 -2.329 320 HD21 LEU 44 1HD2 LEU 44 3.142 2.189 0.593 321 HD22 LEU 44 2HD2 LEU 44 1.542 1.841 -0.081 322 HD23 LEU 44 3HD2 LEU 44 2.694 2.878 -0.954 323 H LYS 45 HN LYS 45 2.681 -1.335 -4.282 324 HA LYS 45 HA LYS 45 0.430 -1.863 -6.154 325 HB2 LYS 45 2HB LYS 45 2.071 -2.131 -7.913 326 HB3 LYS 45 3HB LYS 45 2.068 -0.519 -7.269 327 HG2 LYS 45 2HG LYS 45 4.214 -0.881 -6.168 328 HG3 LYS 45 3HG LYS 45 4.197 -2.602 -6.608 329 HD2 LYS 45 2HD LYS 45 4.116 -1.966 -9.022 330 HD3 LYS 45 3HD LYS 45 4.299 -0.281 -8.558 331 HE2 LYS 45 2HE LYS 45 6.500 -0.795 -7.528 332 HE3 LYS 45 3HE LYS 45 6.273 -2.504 -7.889 333 HZ1 LYS 45 1HZ LYS 45 6.243 -1.938 -10.253 334 HZ2 LYS 45 2HZ LYS 45 7.653 -1.543 -9.547 335 HZ3 LYS 45 3HZ LYS 45 6.543 -0.361 -9.925 336 H LEU 46 HN LEU 46 -0.354 -3.830 -5.753 337 HA LEU 46 HA LEU 46 1.216 -5.856 -4.376 338 HB2 LEU 46 2HB LEU 46 -1.362 -5.265 -4.182 339 HB3 LEU 46 3HB LEU 46 -1.523 -6.412 -5.483 340 HG LEU 46 HG LEU 46 -1.898 -7.577 -3.534 341 HD11 LEU 46 1HD1 LEU 46 0.962 -8.269 -4.196 342 HD12 LEU 46 2HD1 LEU 46 -0.483 -8.864 -5.033 343 HD13 LEU 46 3HD1 LEU 46 -0.188 -9.289 -3.340 344 HD21 LEU 46 1HD2 LEU 46 0.647 -6.493 -2.285 345 HD22 LEU 46 2HD2 LEU 46 -0.547 -7.588 -1.541 346 HD23 LEU 46 3HD2 LEU 46 -1.011 -5.942 -1.947 347 H LEU 47 HN LEU 47 2.849 -5.883 -6.026 348 HA LEU 47 HA LEU 47 2.374 -7.223 -8.569 349 HB2 LEU 47 2HB LEU 47 4.592 -5.852 -7.136 350 HB3 LEU 47 3HB LEU 47 5.123 -7.213 -8.096 351 HG LEU 47 HG LEU 47 5.208 -5.013 -9.226 352 HD11 LEU 47 1HD1 LEU 47 4.323 -5.811 -11.386 353 HD12 LEU 47 2HD1 LEU 47 3.401 -7.074 -10.559 354 HD13 LEU 47 3HD1 LEU 47 5.182 -7.084 -10.502 355 HD21 LEU 47 1HD2 LEU 47 2.172 -5.140 -9.419 356 HD22 LEU 47 2HD2 LEU 47 3.254 -3.852 -9.962 357 HD23 LEU 47 3HD2 LEU 47 3.046 -4.157 -8.239 358 H SER 48 HN SER 48 4.330 -9.075 -8.774 359 HA SER 48 HA SER 48 2.664 -11.121 -8.036 360 HB2 SER 48 2HB SER 48 3.678 -11.935 -9.743 361 HB3 SER 48 3HB SER 48 5.127 -10.880 -9.510 362 HG SER 48 HG SER 48 4.702 -13.553 -9.080 363 HA PRO 49 HA PRO 49 2.838 -13.400 -7.913 364 HB2 PRO 49 2HB PRO 49 1.756 -15.365 -6.319 365 HB3 PRO 49 3HB PRO 49 3.472 -15.349 -6.785 366 HG2 PRO 49 2HG PRO 49 2.277 -14.316 -4.198 367 HG3 PRO 49 3HG PRO 49 3.662 -15.430 -4.423 368 HD2 PRO 49 2HD PRO 49 3.979 -12.732 -4.036 369 HD3 PRO 49 3HD PRO 49 5.063 -13.659 -5.098 370 H ASP 50 HN ASP 50 0.375 -14.351 -7.662 371 HA ASP 50 HA ASP 50 -1.434 -12.223 -6.679 372 HB2 ASP 50 2HB ASP 50 -0.659 -11.655 -8.980 373 HB3 ASP 50 3HB ASP 50 -1.125 -13.239 -9.545 374 H GLY 51 HN GLY 51 -3.766 -13.059 -7.444 375 HA2 GLY 51 2HA GLY 51 -4.630 -15.306 -8.404 376 HA3 GLY 51 1HA GLY 51 -4.171 -15.918 -6.791 377 H ASP 52 HN ASP 52 -6.847 -15.933 -7.707 378 HA ASP 52 HA ASP 52 -8.496 -13.795 -6.783 379 HB2 ASP 52 2HB ASP 52 -8.961 -16.805 -6.624 380 HB3 ASP 52 3HB ASP 52 -10.193 -15.613 -6.310 381 H ASN 53 HN ASN 53 -6.952 -16.503 -5.224 382 HA ASN 53 HA ASN 53 -8.035 -16.344 -2.575 383 HB2 ASN 53 2HB ASN 53 -5.731 -17.699 -3.924 384 HB3 ASN 53 3HB ASN 53 -5.580 -17.418 -2.192 385 HD21 ASN 53 1HD2 ASN 53 -6.594 -19.701 -4.395 386 HD22 ASN 53 2HD2 ASN 53 -7.702 -20.532 -3.329 387 H ALA 54 HN ALA 54 -4.772 -15.341 -3.783 388 HA ALA 54 HA ALA 54 -3.930 -13.904 -1.599 389 HB1 ALA 54 1HB ALA 54 -3.487 -13.324 -4.566 390 HB2 ALA 54 2HB ALA 54 -2.471 -12.767 -3.234 391 HB3 ALA 54 3HB ALA 54 -2.571 -14.480 -3.567 392 H TRP 55 HN TRP 55 -5.818 -12.531 -4.353 393 HA TRP 55 HA TRP 55 -6.204 -9.889 -3.386 394 HB2 TRP 55 2HB TRP 55 -7.501 -11.722 -5.352 395 HB3 TRP 55 3HB TRP 55 -8.501 -10.449 -4.717 396 HD1 TRP 55 1HD TRP 55 -5.751 -10.969 -7.230 397 HE1 TRP 55 1HE TRP 55 -5.469 -8.779 -8.535 398 HE3 TRP 55 3HE TRP 55 -8.221 -7.824 -4.101 399 HZ2 TRP 55 2HZ TRP 55 -6.234 -5.973 -8.237 400 HZ3 TRP 55 3HZ TRP 55 -8.420 -5.423 -4.559 401 HH2 TRP 55 2HH TRP 55 -7.462 -4.452 -6.599 402 H SER 56 HN SER 56 -8.137 -12.858 -2.666 403 HA SER 56 HA SER 56 -10.105 -11.479 -1.076 404 HB2 SER 56 2HB SER 56 -9.183 -14.369 -0.876 405 HB3 SER 56 3HB SER 56 -10.684 -13.692 -0.237 406 HG SER 56 HG SER 56 -9.989 -13.763 -2.999 407 H VAL 57 HN VAL 57 -7.099 -13.280 -0.186 408 HA VAL 57 HA VAL 57 -7.348 -12.992 2.617 409 HB VAL 57 HB VAL 57 -4.797 -13.180 0.915 410 HG11 VAL 57 1HG1 VAL 57 -5.325 -13.788 3.860 411 HG12 VAL 57 2HG1 VAL 57 -3.812 -14.176 2.984 412 HG13 VAL 57 3HG1 VAL 57 -4.282 -12.495 3.229 413 HG21 VAL 57 1HG2 VAL 57 -4.850 -15.570 1.342 414 HG22 VAL 57 2HG2 VAL 57 -6.287 -15.417 2.367 415 HG23 VAL 57 3HG2 VAL 57 -6.411 -15.148 0.637 416 H MET 58 HN MET 58 -5.539 -10.912 0.254 417 HA MET 58 HA MET 58 -4.757 -9.075 2.297 418 HB2 MET 58 2HB MET 58 -4.135 -7.539 0.534 419 HB3 MET 58 3HB MET 58 -3.613 -9.181 0.124 420 HG2 MET 58 2HG MET 58 -5.739 -9.389 -1.235 421 HG3 MET 58 3HG MET 58 -6.001 -7.669 -0.966 422 HE1 MET 58 1HE MET 58 -4.625 -6.263 -4.019 423 HE2 MET 58 2HE MET 58 -6.111 -6.779 -3.182 424 HE3 MET 58 3HE MET 58 -4.905 -5.811 -2.320 425 H TYR 59 HN TYR 59 -7.780 -9.221 0.258 426 HA TYR 59 HA TYR 59 -8.776 -6.749 1.103 427 HB2 TYR 59 2HB TYR 59 -9.840 -8.386 -0.605 428 HB3 TYR 59 3HB TYR 59 -10.567 -9.197 0.754 429 HD1 TYR 59 1HD TYR 59 -12.769 -8.447 1.322 430 HD2 TYR 59 2HD TYR 59 -10.029 -5.732 -0.601 431 HE1 TYR 59 1HE TYR 59 -14.589 -6.817 1.046 432 HE2 TYR 59 2HE TYR 59 -11.869 -4.135 -0.985 433 HH TYR 59 HH TYR 59 -14.151 -3.730 -0.765 434 H LYS 60 HN LYS 60 -9.352 -9.995 2.544 435 HA LYS 60 HA LYS 60 -10.968 -9.168 4.681 436 HB2 LYS 60 2HB LYS 60 -9.080 -11.552 4.347 437 HB3 LYS 60 3HB LYS 60 -10.157 -11.360 5.741 438 HG2 LYS 60 2HG LYS 60 -12.122 -11.361 4.338 439 HG3 LYS 60 3HG LYS 60 -11.169 -11.357 2.869 440 HD2 LYS 60 2HD LYS 60 -10.341 -13.640 4.452 441 HD3 LYS 60 3HD LYS 60 -12.116 -13.589 4.431 442 HE2 LYS 60 2HE LYS 60 -12.047 -13.356 1.941 443 HE3 LYS 60 3HE LYS 60 -10.271 -13.481 2.011 444 HZ1 LYS 60 1HZ LYS 60 -12.032 -15.628 3.026 445 HZ2 LYS 60 2HZ LYS 60 -10.430 -15.679 2.742 446 HZ3 LYS 60 3HZ LYS 60 -11.498 -15.603 1.494 447 H LEU 61 HN LEU 61 -7.389 -9.544 4.609 448 HA LEU 61 HA LEU 61 -7.091 -8.686 7.348 449 HB2 LEU 61 2HB LEU 61 -5.191 -9.047 5.028 450 HB3 LEU 61 3HB LEU 61 -4.700 -8.059 6.402 451 HG LEU 61 HG LEU 61 -5.244 -9.912 7.969 452 HD11 LEU 61 1HD1 LEU 61 -6.823 -11.245 6.640 453 HD12 LEU 61 2HD1 LEU 61 -5.434 -12.226 7.086 454 HD13 LEU 61 3HD1 LEU 61 -5.568 -11.576 5.428 455 HD21 LEU 61 1HD2 LEU 61 -2.955 -9.523 7.228 456 HD22 LEU 61 2HD2 LEU 61 -3.207 -10.599 5.822 457 HD23 LEU 61 3HD2 LEU 61 -3.253 -11.246 7.480 458 H SER 62 HN SER 62 -7.041 -6.836 4.207 459 HA SER 62 HA SER 62 -6.270 -4.384 5.310 460 HB2 SER 62 2HB SER 62 -8.193 -4.893 3.007 461 HB3 SER 62 3HB SER 62 -7.426 -3.349 3.357 462 HG SER 62 HG SER 62 -6.252 -5.799 2.582 463 H GLN 63 HN GLN 63 -9.680 -5.692 4.932 464 HA GLN 63 HA GLN 63 -10.786 -3.423 6.242 465 HB2 GLN 63 2HB GLN 63 -12.811 -4.683 6.402 466 HB3 GLN 63 3HB GLN 63 -12.086 -4.651 4.797 467 HG2 GLN 63 2HG GLN 63 -11.448 -6.886 4.852 468 HG3 GLN 63 3HG GLN 63 -11.760 -7.021 6.592 469 HE21 GLN 63 1HE2 GLN 63 -14.108 -6.427 7.182 470 HE22 GLN 63 2HE2 GLN 63 -15.371 -7.128 6.177 471 H ALA 64 HN ALA 64 -9.884 -6.626 7.424 472 HA ALA 64 HA ALA 64 -10.754 -6.331 10.095 473 HB1 ALA 64 1HB ALA 64 -10.030 -8.495 9.172 474 HB2 ALA 64 2HB ALA 64 -8.342 -7.913 9.111 475 HB3 ALA 64 3HB ALA 64 -9.158 -8.128 10.667 476 H LEU 65 HN LEU 65 -7.883 -4.956 8.617 477 HA LEU 65 HA LEU 65 -6.803 -4.016 11.201 478 HB2 LEU 65 2HB LEU 65 -5.950 -3.584 8.346 479 HB3 LEU 65 3HB LEU 65 -5.036 -3.004 9.723 480 HG LEU 65 HG LEU 65 -5.614 -5.975 9.325 481 HD11 LEU 65 1HD1 LEU 65 -4.428 -5.084 7.325 482 HD12 LEU 65 2HD1 LEU 65 -3.451 -6.212 8.264 483 HD13 LEU 65 3HD1 LEU 65 -3.147 -4.455 8.382 484 HD21 LEU 65 1HD2 LEU 65 -3.422 -4.577 10.872 485 HD22 LEU 65 2HD2 LEU 65 -3.711 -6.319 10.774 486 HD23 LEU 65 3HD2 LEU 65 -4.901 -5.292 11.578 487 H SER 66 HN SER 66 -8.478 -2.784 8.323 488 HA SER 66 HA SER 66 -8.364 -0.014 8.983 489 HB2 SER 66 2HB SER 66 -8.842 -1.022 6.726 490 HB3 SER 66 3HB SER 66 -10.366 -1.669 7.348 491 HG SER 66 HG SER 66 -11.149 0.434 7.499 492 H ASP 67 HN ASP 67 -10.362 -2.663 10.069 493 HA ASP 67 HA ASP 67 -12.480 -1.316 11.309 494 HB2 ASP 67 2HB ASP 67 -11.156 -3.955 11.421 495 HB3 ASP 67 3HB ASP 67 -11.714 -3.465 12.990 496 H ILE 68 HN ILE 68 -9.088 -1.269 12.143 497 HA ILE 68 HA ILE 68 -9.571 -1.085 14.990 498 HB ILE 68 HB ILE 68 -6.977 -1.172 13.460 499 HG12 ILE 68 2HG1 ILE 68 -8.623 -3.339 14.808 500 HG13 ILE 68 3HG1 ILE 68 -8.605 -3.114 13.054 501 HG21 ILE 68 1HG2 ILE 68 -6.751 -0.316 15.785 502 HG22 ILE 68 2HG2 ILE 68 -7.697 -1.685 16.395 503 HG23 ILE 68 3HG2 ILE 68 -6.102 -1.926 15.652 504 HD11 ILE 68 1HD1 ILE 68 -7.139 -4.766 13.379 505 HD12 ILE 68 2HD1 ILE 68 -6.170 -3.298 13.086 506 HD13 ILE 68 3HD1 ILE 68 -6.322 -3.939 14.743 507 H GLU 69 HN GLU 69 -7.424 0.526 12.791 508 HA GLU 69 HA GLU 69 -8.383 3.282 13.101 509 HB2 GLU 69 2HB GLU 69 -5.598 2.661 14.187 510 HB3 GLU 69 3HB GLU 69 -6.441 4.220 14.223 511 HG2 GLU 69 2HG GLU 69 -8.113 3.227 15.755 512 HG3 GLU 69 3HG GLU 69 -7.166 1.730 15.742 513 H VAL 70 HN VAL 70 -7.201 1.022 11.286 514 HA VAL 70 HA VAL 70 -5.011 2.568 9.942 515 HB VAL 70 HB VAL 70 -5.273 -0.447 10.001 516 HG11 VAL 70 1HG1 VAL 70 -2.888 1.421 9.650 517 HG12 VAL 70 2HG1 VAL 70 -2.838 -0.352 9.635 518 HG13 VAL 70 3HG1 VAL 70 -3.686 0.513 8.348 519 HG21 VAL 70 1HG2 VAL 70 -3.691 -0.474 11.871 520 HG22 VAL 70 2HG2 VAL 70 -3.823 1.292 12.038 521 HG23 VAL 70 3HG2 VAL 70 -5.210 0.222 12.363 522 HA PRO 71 HA PRO 71 -8.514 1.879 7.004 523 HB2 PRO 71 2HB PRO 71 -8.782 4.374 5.944 524 HB3 PRO 71 3HB PRO 71 -9.570 3.860 7.459 525 HG2 PRO 71 2HG PRO 71 -6.994 5.420 7.131 526 HG3 PRO 71 3HG PRO 71 -8.350 5.744 8.258 527 HD2 PRO 71 2HD PRO 71 -6.106 4.410 9.063 528 HD3 PRO 71 3HD PRO 71 -7.737 3.976 9.666 529 H CYS 72 HN CYS 72 -7.960 0.922 5.197 530 HA CYS 72 HA CYS 72 -5.859 2.100 3.448 531 HB2 CYS 72 2HB CYS 72 -6.388 -0.849 4.010 532 HB3 CYS 72 3HB CYS 72 -5.243 -0.231 2.804 533 HG CYS 72 HG CYS 72 -4.537 -1.111 5.478 534 H SER 73 HN SER 73 -6.306 1.929 1.318 535 HA SER 73 HA SER 73 -9.093 1.209 0.498 536 HB2 SER 73 2HB SER 73 -6.962 3.056 -0.642 537 HB3 SER 73 3HB SER 73 -8.429 2.620 -1.505 538 HG SER 73 HG SER 73 -8.283 3.833 1.110 539 H VAL 74 HN VAL 74 -9.318 -0.301 -1.112 540 HA VAL 74 HA VAL 74 -6.963 -1.649 -2.221 541 HB VAL 74 HB VAL 74 -9.451 -2.927 -0.986 542 HG11 VAL 74 1HG1 VAL 74 -7.426 -3.958 -2.829 543 HG12 VAL 74 2HG1 VAL 74 -7.408 -4.857 -1.298 544 HG13 VAL 74 3HG1 VAL 74 -8.902 -4.687 -2.234 545 HG21 VAL 74 1HG2 VAL 74 -7.849 -3.876 0.707 546 HG22 VAL 74 2HG2 VAL 74 -6.613 -2.778 0.096 547 HG23 VAL 74 3HG2 VAL 74 -8.077 -2.128 0.846 548 H LEU 75 HN LEU 75 -7.285 -0.491 -4.249 549 HA LEU 75 HA LEU 75 -9.946 -0.912 -5.520 550 HB2 LEU 75 2HB LEU 75 -7.641 1.011 -6.082 551 HB3 LEU 75 3HB LEU 75 -8.959 0.726 -7.215 552 HG LEU 75 HG LEU 75 -10.601 1.526 -5.561 553 HD11 LEU 75 1HD1 LEU 75 -8.118 2.245 -3.931 554 HD12 LEU 75 2HD1 LEU 75 -9.508 1.252 -3.418 555 HD13 LEU 75 3HD1 LEU 75 -9.719 2.977 -3.668 556 HD21 LEU 75 1HD2 LEU 75 -9.737 3.008 -7.292 557 HD22 LEU 75 2HD2 LEU 75 -8.340 3.438 -6.291 558 HD23 LEU 75 3HD2 LEU 75 -9.983 3.930 -5.809 559 H GLU 76 HN GLU 76 -10.241 -1.975 -7.312 560 HA GLU 76 HA GLU 76 -7.970 -3.467 -8.508 561 HB2 GLU 76 2HB GLU 76 -9.593 -5.117 -9.128 562 HB3 GLU 76 3HB GLU 76 -9.718 -4.837 -7.403 563 HG2 GLU 76 2HG GLU 76 -11.690 -3.719 -9.440 564 HG3 GLU 76 3HG GLU 76 -11.850 -5.238 -8.640 565 H CYS 77 HN CYS 77 -7.486 -3.150 -10.590 566 HA CYS 77 HA CYS 77 -9.655 -2.575 -12.512 567 HB2 CYS 77 2HB CYS 77 -6.956 -1.160 -12.492 568 HB3 CYS 77 3HB CYS 77 -8.029 -1.228 -13.891 569 HG CYS 77 HG CYS 77 -8.053 1.138 -12.631 570 H GLU 78 HN GLU 78 -9.543 -4.896 -12.675 571 HA GLU 78 HA GLU 78 -9.108 -6.722 -13.884 572 HB2 GLU 78 2HB GLU 78 -7.107 -5.076 -15.460 573 HB3 GLU 78 3HB GLU 78 -7.886 -6.578 -15.942 574 HG2 GLU 78 2HG GLU 78 -9.348 -5.292 -17.018 575 HG3 GLU 78 3HG GLU 78 -10.114 -5.054 -15.451 576 H GLY 79 HN GLY 79 -5.914 -5.212 -13.686 577 HA2 GLY 79 2HA GLY 79 -4.687 -7.407 -12.130 578 HA3 GLY 79 1HA GLY 79 -4.062 -7.124 -13.758 579 H GLU 80 HN GLU 80 -5.311 -4.284 -12.333 580 HA GLU 80 HA GLU 80 -2.730 -3.358 -11.210 581 HB2 GLU 80 2HB GLU 80 -4.910 -2.033 -12.763 582 HB3 GLU 80 3HB GLU 80 -4.371 -1.180 -11.319 583 HG2 GLU 80 2HG GLU 80 -2.925 -0.238 -12.683 584 HG3 GLU 80 3HG GLU 80 -1.960 -1.628 -12.291 585 HA PRO 81 HA PRO 81 -5.266 -3.722 -7.397 586 HB2 PRO 81 2HB PRO 81 -3.085 -4.494 -5.871 587 HB3 PRO 81 3HB PRO 81 -4.294 -5.621 -6.520 588 HG2 PRO 81 2HG PRO 81 -1.547 -5.053 -7.539 589 HG3 PRO 81 3HG PRO 81 -2.476 -6.578 -7.600 590 HD2 PRO 81 2HD PRO 81 -2.123 -4.823 -9.729 591 HD3 PRO 81 3HD PRO 81 -3.467 -5.999 -9.588 592 H CYS 82 HN CYS 82 -5.284 -1.779 -6.409 593 HA CYS 82 HA CYS 82 -2.855 -0.053 -6.349 594 HB2 CYS 82 2HB CYS 82 -5.716 0.610 -7.144 595 HB3 CYS 82 3HB CYS 82 -4.528 1.841 -6.708 596 HG CYS 82 HG CYS 82 -4.808 1.754 -9.314 597 H LEU 83 HN LEU 83 -2.333 -0.290 -4.163 598 HA LEU 83 HA LEU 83 -4.643 -0.058 -2.279 599 HB2 LEU 83 2HB LEU 83 -2.088 -1.646 -2.163 600 HB3 LEU 83 3HB LEU 83 -2.599 -0.856 -0.684 601 HG LEU 83 HG LEU 83 -4.748 -1.915 -0.710 602 HD11 LEU 83 1HD1 LEU 83 -5.346 -3.710 -2.258 603 HD12 LEU 83 2HD1 LEU 83 -3.889 -3.410 -3.229 604 HD13 LEU 83 3HD1 LEU 83 -5.177 -2.194 -3.126 605 HD21 LEU 83 1HD2 LEU 83 -2.826 -3.058 0.352 606 HD22 LEU 83 2HD2 LEU 83 -2.566 -3.977 -1.146 607 HD23 LEU 83 3HD2 LEU 83 -4.060 -4.196 -0.215 608 H PHE 84 HN PHE 84 -4.745 1.577 -0.948 609 HA PHE 84 HA PHE 84 -2.442 3.474 -0.895 610 HB2 PHE 84 2HB PHE 84 -5.309 4.361 -0.608 611 HB3 PHE 84 3HB PHE 84 -3.898 5.342 -0.889 612 HD1 PHE 84 1HD PHE 84 -2.713 3.753 -3.278 613 HD2 PHE 84 2HD PHE 84 -6.718 5.072 -2.370 614 HE1 PHE 84 1HE PHE 84 -3.310 3.590 -5.674 615 HE2 PHE 84 2HE PHE 84 -7.284 4.972 -4.781 616 HZ PHE 84 HZ PHE 84 -5.601 4.209 -6.432 617 H VAL 85 HN VAL 85 -1.978 4.341 1.043 618 HA VAL 85 HA VAL 85 -3.198 3.294 3.499 619 HB VAL 85 HB VAL 85 -0.508 2.912 4.006 620 HG11 VAL 85 1HG1 VAL 85 -2.229 1.347 4.593 621 HG12 VAL 85 2HG1 VAL 85 -2.488 0.855 2.902 622 HG13 VAL 85 3HG1 VAL 85 -0.967 0.463 3.762 623 HG21 VAL 85 1HG2 VAL 85 0.518 1.604 2.335 624 HG22 VAL 85 2HG2 VAL 85 -0.886 1.667 1.261 625 HG23 VAL 85 3HG2 VAL 85 0.047 3.140 1.557 626 H ASN 86 HN ASN 86 -2.085 4.499 5.467 627 HA ASN 86 HA ASN 86 -2.036 7.308 4.694 628 HB2 ASN 86 2HB ASN 86 -1.659 5.896 7.357 629 HB3 ASN 86 3HB ASN 86 -1.503 7.634 7.152 630 HD21 ASN 86 1HD2 ASN 86 -3.693 4.958 7.479 631 HD22 ASN 86 2HD2 ASN 86 -5.165 5.909 7.416 632 H ARG 87 HN ARG 87 0.179 5.974 6.909 633 HA ARG 87 HA ARG 87 2.465 6.598 5.050 634 HB2 ARG 87 2HB ARG 87 1.944 8.590 6.481 635 HB3 ARG 87 3HB ARG 87 2.227 7.614 7.907 636 HG2 ARG 87 2HG ARG 87 4.316 8.493 7.764 637 HG3 ARG 87 3HG ARG 87 4.577 7.156 6.636 638 HD2 ARG 87 2HD ARG 87 3.940 8.752 4.745 639 HD3 ARG 87 3HD ARG 87 3.933 10.046 5.936 640 HE ARG 87 HE ARG 87 6.271 9.718 6.362 641 HH11 ARG 87 1HH1 ARG 87 5.155 7.303 4.036 642 HH12 ARG 87 2HH1 ARG 87 6.737 6.786 3.608 643 HH21 ARG 87 1HH2 ARG 87 8.365 9.230 5.649 644 HH22 ARG 87 2HH2 ARG 87 8.588 7.862 4.563 645 H GLN 88 HN GLN 88 2.293 5.524 8.430 646 HA GLN 88 HA GLN 88 4.531 3.659 7.802 647 HB2 GLN 88 2HB GLN 88 4.280 3.098 10.306 648 HB3 GLN 88 3HB GLN 88 5.011 4.591 9.811 649 HG2 GLN 88 2HG GLN 88 2.036 4.640 10.351 650 HG3 GLN 88 3HG GLN 88 3.100 4.452 11.702 651 HE21 GLN 88 1HE2 GLN 88 1.435 6.826 10.269 652 HE22 GLN 88 2HE2 GLN 88 2.522 8.183 10.444 653 H ASP 89 HN ASP 89 1.225 3.588 7.913 654 HA ASP 89 HA ASP 89 0.312 1.088 8.446 655 HB2 ASP 89 2HB ASP 89 -0.463 2.861 6.129 656 HB3 ASP 89 3HB ASP 89 -1.387 1.460 6.698 657 H GLU 90 HN GLU 90 2.308 2.124 5.643 658 HA GLU 90 HA GLU 90 1.692 -0.224 4.173 659 HB2 GLU 90 2HB GLU 90 3.560 0.296 2.697 660 HB3 GLU 90 3HB GLU 90 2.529 1.688 2.941 661 HG2 GLU 90 2HG GLU 90 4.061 2.897 4.066 662 HG3 GLU 90 3HG GLU 90 4.938 1.524 4.708 663 H PHE 91 HN PHE 91 4.190 0.595 6.520 664 HA PHE 91 HA PHE 91 5.871 -1.713 6.139 665 HB2 PHE 91 2HB PHE 91 5.567 -0.040 8.654 666 HB3 PHE 91 3HB PHE 91 6.912 -1.070 8.225 667 HD1 PHE 91 1HD PHE 91 7.339 -0.039 5.319 668 HD2 PHE 91 2HD PHE 91 6.660 1.983 9.066 669 HE1 PHE 91 1HE PHE 91 8.610 1.907 4.500 670 HE2 PHE 91 2HE PHE 91 7.942 3.939 8.236 671 HZ PHE 91 HZ PHE 91 8.925 3.904 5.951 672 H ALA 92 HN ALA 92 3.375 -0.692 8.478 673 HA ALA 92 HA ALA 92 3.229 -3.100 9.939 674 HB1 ALA 92 1HB ALA 92 1.068 -2.356 10.718 675 HB2 ALA 92 2HB ALA 92 2.151 -0.958 10.605 676 HB3 ALA 92 3HB ALA 92 0.913 -1.214 9.361 677 H ALA 93 HN ALA 93 1.385 -2.201 6.971 678 HA ALA 93 HA ALA 93 -0.177 -4.560 6.892 679 HB1 ALA 93 1HB ALA 93 -0.785 -2.667 5.569 680 HB2 ALA 93 2HB ALA 93 0.743 -2.710 4.663 681 HB3 ALA 93 3HB ALA 93 -0.454 -4.038 4.483 682 H THR 94 HN THR 94 3.026 -3.867 5.247 683 HA THR 94 HA THR 94 3.049 -6.506 4.146 684 HB THR 94 HB THR 94 4.391 -4.742 3.150 685 HG1 THR 94 1HG THR 94 5.688 -6.235 2.473 686 HG21 THR 94 1HG2 THR 94 5.322 -3.577 5.101 687 HG22 THR 94 2HG2 THR 94 6.611 -4.171 4.054 688 HG23 THR 94 3HG2 THR 94 6.232 -5.034 5.554 689 H CYS 95 HN CYS 95 4.146 -5.243 7.309 690 HA CYS 95 HA CYS 95 5.445 -7.533 8.287 691 HB2 CYS 95 2HB CYS 95 5.248 -5.273 9.458 692 HB3 CYS 95 3HB CYS 95 3.593 -5.712 9.884 693 HG CYS 95 HG CYS 95 6.469 -6.766 10.993 694 H ARG 96 HN ARG 96 1.918 -6.789 8.364 695 HA ARG 96 HA ARG 96 1.179 -9.246 9.629 696 HB2 ARG 96 2HB ARG 96 -0.678 -7.881 7.654 697 HB3 ARG 96 3HB ARG 96 -1.058 -8.793 9.098 698 HG2 ARG 96 2HG ARG 96 -0.355 -5.914 8.803 699 HG3 ARG 96 3HG ARG 96 -1.676 -6.690 9.648 700 HD2 ARG 96 2HD ARG 96 0.016 -7.504 11.365 701 HD3 ARG 96 3HD ARG 96 1.192 -6.449 10.531 702 HE ARG 96 HE ARG 96 -0.683 -4.674 10.901 703 HH11 ARG 96 1HH1 ARG 96 0.167 -7.115 13.421 704 HH12 ARG 96 2HH1 ARG 96 0.203 -5.897 14.655 705 HH21 ARG 96 1HH2 ARG 96 -0.732 -3.191 12.721 706 HH22 ARG 96 2HH2 ARG 96 -0.315 -3.788 14.289 707 H LEU 97 HN LEU 97 1.047 -8.354 6.143 708 HA LEU 97 HA LEU 97 0.136 -10.912 5.307 709 HB2 LEU 97 2HB LEU 97 1.402 -8.549 3.960 710 HB3 LEU 97 3HB LEU 97 1.152 -10.011 3.031 711 HG LEU 97 HG LEU 97 -0.601 -8.305 2.701 712 HD11 LEU 97 1HD1 LEU 97 -2.522 -9.841 2.818 713 HD12 LEU 97 2HD1 LEU 97 -1.630 -10.915 3.912 714 HD13 LEU 97 3HD1 LEU 97 -1.084 -10.672 2.239 715 HD21 LEU 97 1HD2 LEU 97 -1.475 -8.866 5.547 716 HD22 LEU 97 2HD2 LEU 97 -2.397 -7.966 4.330 717 HD23 LEU 97 3HD2 LEU 97 -0.860 -7.333 4.896 718 H LYS 98 HN LYS 98 3.494 -9.727 5.710 719 HA LYS 98 HA LYS 98 4.859 -11.936 4.536 720 HB2 LYS 98 2HB LYS 98 5.491 -9.986 6.763 721 HB3 LYS 98 3HB LYS 98 6.606 -11.285 6.368 722 HG2 LYS 98 2HG LYS 98 6.920 -10.524 4.105 723 HG3 LYS 98 3HG LYS 98 5.623 -9.342 4.256 724 HD2 LYS 98 2HD LYS 98 6.884 -8.120 5.973 725 HD3 LYS 98 3HD LYS 98 8.227 -9.272 5.852 726 HE2 LYS 98 2HE LYS 98 7.207 -8.038 3.301 727 HE3 LYS 98 3HE LYS 98 8.005 -6.949 4.427 728 HZ1 LYS 98 1HZ LYS 98 9.433 -8.079 2.693 729 HZ2 LYS 98 2HZ LYS 98 9.313 -9.452 3.558 730 HZ3 LYS 98 3HZ LYS 98 9.979 -8.110 4.257 731 H ASN 99 HN ASN 99 3.420 -11.560 7.862 732 HA ASN 99 HA ASN 99 4.656 -14.029 8.715 733 HB2 ASN 99 2HB ASN 99 3.490 -14.083 10.648 734 HB3 ASN 99 3HB ASN 99 3.964 -12.421 10.362 735 HD21 ASN 99 1HD2 ASN 99 1.109 -13.770 8.759 736 HD22 ASN 99 2HD2 ASN 99 -0.040 -12.958 9.763 737 H PHE 100 HN PHE 100 1.756 -13.278 6.891 738 HA PHE 100 HA PHE 100 0.531 -15.855 7.116 739 HB2 PHE 100 2HB PHE 100 -0.382 -13.486 6.386 740 HB3 PHE 100 3HB PHE 100 0.137 -13.957 4.782 741 HD1 PHE 100 1HD PHE 100 -0.699 -16.643 4.258 742 HD2 PHE 100 2HD PHE 100 -2.650 -13.655 6.712 743 HE1 PHE 100 1HE PHE 100 -2.876 -17.728 3.869 744 HE2 PHE 100 2HE PHE 100 -4.820 -14.730 6.273 745 HZ PHE 100 HZ PHE 100 -4.947 -16.784 4.870 746 H GLY 101 HN GLY 101 2.362 -14.292 4.576 747 HA2 GLY 101 2HA GLY 101 4.326 -15.469 3.625 748 HA3 GLY 101 1HA GLY 101 3.356 -16.950 3.550 749 H VAL 102 HN VAL 102 3.286 -13.517 2.499 750 HA VAL 102 HA VAL 102 3.282 -14.448 -0.221 751 HB VAL 102 HB VAL 102 1.790 -12.607 -0.986 752 HG11 VAL 102 1HG1 VAL 102 0.368 -14.689 0.731 753 HG12 VAL 102 2HG1 VAL 102 -0.300 -13.808 -0.660 754 HG13 VAL 102 3HG1 VAL 102 1.015 -14.961 -0.906 755 HG21 VAL 102 1HG2 VAL 102 0.766 -12.517 1.890 756 HG22 VAL 102 2HG2 VAL 102 1.757 -11.259 1.119 757 HG23 VAL 102 3HG2 VAL 102 0.150 -11.616 0.479 758 H ALA 103 HN ALA 103 4.096 -12.504 -1.589 759 HA ALA 103 HA ALA 103 6.173 -11.032 -0.031 760 HB1 ALA 103 1HB ALA 103 7.043 -12.650 -1.612 761 HB2 ALA 103 2HB ALA 103 6.041 -11.958 -2.915 762 HB3 ALA 103 3HB ALA 103 7.363 -11.006 -2.211 763 H ILE 104 HN ILE 104 5.550 -8.963 0.338 764 HA ILE 104 HA ILE 104 4.262 -7.468 -1.801 765 HB ILE 104 HB ILE 104 2.651 -6.550 -0.301 766 HG12 ILE 104 2HG1 ILE 104 3.528 -6.663 1.865 767 HG13 ILE 104 3HG1 ILE 104 2.022 -7.532 1.846 768 HG21 ILE 104 1HG2 ILE 104 2.003 -8.480 -1.661 769 HG22 ILE 104 2HG2 ILE 104 2.446 -9.590 -0.362 770 HG23 ILE 104 3HG2 ILE 104 1.107 -8.453 -0.137 771 HD11 ILE 104 1HD1 ILE 104 3.561 -8.727 3.255 772 HD12 ILE 104 2HD1 ILE 104 3.340 -9.711 1.799 773 HD13 ILE 104 3HD1 ILE 104 4.815 -8.741 2.028 774 H ALA 105 HN ALA 105 4.847 -5.554 -1.971 775 HA ALA 105 HA ALA 105 6.154 -3.877 -2.199 776 HB1 ALA 105 1HB ALA 105 6.166 -2.311 -0.429 777 HB2 ALA 105 2HB ALA 105 4.760 -3.314 -0.076 778 HB3 ALA 105 3HB ALA 105 6.267 -3.573 0.817 779 H GLU 106 HN GLU 106 8.109 -2.562 -1.127 780 HA GLU 106 HA GLU 106 10.468 -4.342 -0.943 781 HB2 GLU 106 2HB GLU 106 10.135 -1.292 -1.012 782 HB3 GLU 106 3HB GLU 106 11.668 -2.093 -0.656 783 HG2 GLU 106 2HG GLU 106 11.357 -3.421 -2.769 784 HG3 GLU 106 3HG GLU 106 10.038 -2.344 -3.221 785 HA PRO 107 HA PRO 107 10.001 -4.741 3.304 786 HB2 PRO 107 2HB PRO 107 12.566 -4.795 4.360 787 HB3 PRO 107 3HB PRO 107 11.870 -6.061 3.308 788 HG2 PRO 107 2HG PRO 107 13.633 -3.739 2.494 789 HG3 PRO 107 3HG PRO 107 13.815 -5.473 2.067 790 HD2 PRO 107 2HD PRO 107 12.637 -3.722 0.381 791 HD3 PRO 107 3HD PRO 107 11.984 -5.372 0.549 792 H PHE 108 HN PHE 108 10.844 -3.909 5.600 793 HA PHE 108 HA PHE 108 10.727 -0.945 5.645 794 HB2 PHE 108 2HB PHE 108 9.773 -1.297 7.971 795 HB3 PHE 108 3HB PHE 108 8.759 -1.603 6.581 796 HD1 PHE 108 1HD PHE 108 7.240 -3.264 7.048 797 HD2 PHE 108 2HD PHE 108 11.285 -3.738 8.344 798 HE1 PHE 108 1HE PHE 108 6.737 -5.578 7.774 799 HE2 PHE 108 2HE PHE 108 10.815 -6.071 9.052 800 HZ PHE 108 HZ PHE 108 8.509 -6.998 8.778 801 H SER 109 HN SER 109 13.258 -2.259 5.155 802 HA SER 109 HA SER 109 15.146 -3.024 5.973 803 HB2 SER 109 2HB SER 109 14.791 -0.527 7.649 804 HB3 SER 109 3HB SER 109 16.304 -1.334 7.177 805 HG SER 109 HG SER 109 14.451 -0.097 5.424 806 H ASN 110 HN ASN 110 16.163 -2.635 8.867 807 HA ASN 110 HA ASN 110 14.698 -4.994 9.969 808 HB2 ASN 110 2HB ASN 110 17.442 -3.838 10.489 809 HB3 ASN 110 3HB ASN 110 16.624 -4.756 11.748 810 HD21 ASN 110 1HD2 ASN 110 19.084 -5.532 10.519 811 HD22 ASN 110 2HD2 ASN 110 18.766 -7.040 9.675 812 H TYR 111 HN TYR 111 13.266 -4.691 11.421 813 HA TYR 111 HA TYR 111 11.954 -4.074 13.043 814 HB2 TYR 111 2HB TYR 111 12.868 -3.114 15.117 815 HB3 TYR 111 3HB TYR 111 13.686 -4.520 14.499 816 HD1 TYR 111 1HD TYR 111 13.977 -0.761 14.493 817 HD2 TYR 111 2HD TYR 111 15.993 -4.567 14.244 818 HE1 TYR 111 1HE TYR 111 16.093 0.411 14.193 819 HE2 TYR 111 2HE TYR 111 18.162 -3.409 14.044 820 HH TYR 111 HH TYR 111 18.413 0.185 13.968 821 H ASN 112 HN ASN 112 12.000 -2.321 10.757 822 HA ASN 112 HA ASN 112 11.289 -0.341 9.988 823 HB2 ASN 112 2HB ASN 112 9.484 0.431 12.192 824 HB3 ASN 112 3HB ASN 112 9.222 0.291 10.473 825 HD21 ASN 112 1HD2 ASN 112 8.860 -1.231 13.589 826 HD22 ASN 112 2HD2 ASN 112 7.994 -2.643 13.019 827 HA PRO 113 HA PRO 113 14.223 1.757 12.920 828 HB2 PRO 113 2HB PRO 113 16.313 2.226 11.263 829 HB3 PRO 113 3HB PRO 113 15.949 0.611 11.921 830 HG2 PRO 113 2HG PRO 113 15.258 1.651 9.199 831 HG3 PRO 113 3HG PRO 113 15.999 0.081 9.632 832 HD2 PRO 113 2HD PRO 113 13.293 0.430 9.202 833 HD3 PRO 113 3HD PRO 113 13.920 -0.807 10.239 834 H PHE 114 HN PHE 114 12.632 2.707 10.108 835 HA PHE 114 HA PHE 114 13.074 5.605 10.622 836 HB2 PHE 114 2HB PHE 114 11.868 4.477 8.080 837 HB3 PHE 114 3HB PHE 114 12.443 6.102 8.377 838 HD1 PHE 114 1HD PHE 114 14.873 6.630 8.248 839 HD2 PHE 114 2HD PHE 114 13.369 2.657 7.554 840 HE1 PHE 114 1HE PHE 114 17.038 5.992 7.223 841 HE2 PHE 114 2HE PHE 114 15.557 1.995 6.612 842 HZ PHE 114 HZ PHE 114 17.375 3.634 6.410 Start of MODEL 10 1 H THR 2 HN THR 2 12.222 -18.708 4.480 2 HA THR 2 HA THR 2 11.134 -17.344 3.185 3 HB THR 2 HB THR 2 12.082 -14.820 4.521 4 HG1 THR 2 1HG THR 2 10.489 -14.876 5.904 5 HG21 THR 2 1HG2 THR 2 10.820 -14.716 2.372 6 HG22 THR 2 2HG2 THR 2 9.922 -14.000 3.703 7 HG23 THR 2 3HG2 THR 2 9.495 -15.626 3.126 8 H SER 3 HN SER 3 11.910 -17.174 1.127 9 HA SER 3 HA SER 3 14.732 -16.485 0.720 10 HB2 SER 3 2HB SER 3 14.202 -16.979 -1.642 11 HB3 SER 3 3HB SER 3 13.894 -18.332 -0.549 12 HG SER 3 HG SER 3 12.300 -17.441 -2.289 13 H LEU 4 HN LEU 4 15.064 -15.002 -1.267 14 HA LEU 4 HA LEU 4 13.408 -12.628 -1.264 15 HB2 LEU 4 2HB LEU 4 15.388 -11.181 -0.803 16 HB3 LEU 4 3HB LEU 4 14.584 -11.975 0.534 17 HG LEU 4 HG LEU 4 16.302 -13.657 0.724 18 HD11 LEU 4 1HD1 LEU 4 17.396 -12.302 -1.745 19 HD12 LEU 4 2HD1 LEU 4 16.655 -13.889 -1.665 20 HD13 LEU 4 3HD1 LEU 4 18.215 -13.642 -0.849 21 HD21 LEU 4 1HD2 LEU 4 18.178 -12.276 1.402 22 HD22 LEU 4 2HD2 LEU 4 16.677 -11.476 1.833 23 HD23 LEU 4 3HD2 LEU 4 17.583 -10.898 0.422 24 H GLN 5 HN GLN 5 14.053 -14.724 -3.281 25 HA GLN 5 HA GLN 5 15.567 -13.229 -5.282 26 HB2 GLN 5 2HB GLN 5 15.444 -15.866 -4.715 27 HB3 GLN 5 3HB GLN 5 14.049 -15.795 -5.799 28 HG2 GLN 5 2HG GLN 5 15.716 -14.548 -7.394 29 HG3 GLN 5 3HG GLN 5 16.973 -15.222 -6.363 30 HE21 GLN 5 1HE2 GLN 5 15.909 -17.878 -5.884 31 HE22 GLN 5 2HE2 GLN 5 15.628 -18.633 -7.428 32 H LEU 6 HN LEU 6 12.903 -12.204 -4.274 33 HA LEU 6 HA LEU 6 11.439 -11.975 -6.828 34 HB2 LEU 6 2HB LEU 6 9.383 -12.737 -5.836 35 HB3 LEU 6 3HB LEU 6 10.587 -13.982 -5.938 36 HG LEU 6 HG LEU 6 9.080 -13.856 -3.883 37 HD11 LEU 6 1HD1 LEU 6 11.988 -14.055 -3.165 38 HD12 LEU 6 2HD1 LEU 6 11.103 -15.315 -4.059 39 HD13 LEU 6 3HD1 LEU 6 10.612 -14.864 -2.419 40 HD21 LEU 6 1HD2 LEU 6 11.054 -11.735 -3.010 41 HD22 LEU 6 2HD2 LEU 6 9.841 -12.517 -1.973 42 HD23 LEU 6 3HD2 LEU 6 9.322 -11.501 -3.329 43 H SER 7 HN SER 7 12.778 -9.960 -4.902 44 HA SER 7 HA SER 7 10.876 -8.675 -3.364 45 HB2 SER 7 2HB SER 7 13.167 -7.281 -4.804 46 HB3 SER 7 3HB SER 7 12.355 -6.751 -3.319 47 HG SER 7 HG SER 7 14.128 -8.883 -3.767 48 H ILE 8 HN ILE 8 9.389 -6.999 -3.543 49 HA ILE 8 HA ILE 8 8.604 -6.192 -6.293 50 HB ILE 8 HB ILE 8 6.868 -6.549 -3.845 51 HG12 ILE 8 2HG1 ILE 8 5.881 -8.424 -5.487 52 HG13 ILE 8 3HG1 ILE 8 7.549 -8.482 -6.051 53 HG21 ILE 8 1HG2 ILE 8 4.972 -6.407 -5.477 54 HG22 ILE 8 2HG2 ILE 8 5.917 -4.936 -5.356 55 HG23 ILE 8 3HG2 ILE 8 6.150 -6.022 -6.751 56 HD11 ILE 8 1HD1 ILE 8 8.205 -8.955 -3.611 57 HD12 ILE 8 2HD1 ILE 8 6.465 -9.027 -3.251 58 HD13 ILE 8 3HD1 ILE 8 7.196 -10.175 -4.392 59 H VAL 9 HN VAL 9 9.596 -4.220 -6.446 60 HA VAL 9 HA VAL 9 8.530 -2.169 -4.641 61 HB VAL 9 HB VAL 9 11.411 -2.277 -5.693 62 HG11 VAL 9 1HG1 VAL 9 10.651 0.057 -5.444 63 HG12 VAL 9 2HG1 VAL 9 10.125 -0.292 -3.777 64 HG13 VAL 9 3HG1 VAL 9 11.840 -0.345 -4.209 65 HG21 VAL 9 1HG2 VAL 9 11.238 -3.895 -3.876 66 HG22 VAL 9 2HG2 VAL 9 12.072 -2.470 -3.265 67 HG23 VAL 9 3HG2 VAL 9 10.362 -2.721 -2.869 68 H HIS 10 HN HIS 10 8.344 -0.033 -5.995 69 HA HIS 10 HA HIS 10 8.544 -0.500 -8.934 70 HB2 HIS 10 2HB HIS 10 6.377 0.666 -9.261 71 HB3 HIS 10 3HB HIS 10 6.256 -0.939 -8.585 72 HD1 HIS 10 1HD HIS 10 5.555 -1.101 -5.991 73 HD2 HIS 10 2HD HIS 10 5.430 2.717 -7.764 74 HE1 HIS 10 1HE HIS 10 4.277 0.435 -4.352 75 H ARG 11 HN ARG 11 7.932 1.994 -6.396 76 HA ARG 11 HA ARG 11 10.167 3.481 -7.082 77 HB2 ARG 11 2HB ARG 11 8.341 4.031 -9.036 78 HB3 ARG 11 3HB ARG 11 7.746 5.152 -7.829 79 HG2 ARG 11 2HG ARG 11 9.769 6.366 -7.789 80 HG3 ARG 11 3HG ARG 11 10.718 5.057 -8.491 81 HD2 ARG 11 2HD ARG 11 8.578 6.540 -10.051 82 HD3 ARG 11 3HD ARG 11 10.307 6.948 -10.078 83 HE ARG 11 HE ARG 11 10.683 4.514 -10.707 84 HH11 ARG 11 1HH1 ARG 11 7.762 6.230 -11.949 85 HH12 ARG 11 2HH1 ARG 11 7.359 4.870 -12.957 86 HH21 ARG 11 1HH2 ARG 11 10.156 2.938 -12.035 87 HH22 ARG 11 2HH2 ARG 11 8.777 2.963 -13.093 88 H LEU 12 HN LEU 12 10.242 5.547 -5.715 89 HA LEU 12 HA LEU 12 9.140 5.104 -3.157 90 HB2 LEU 12 2HB LEU 12 10.711 7.294 -4.465 91 HB3 LEU 12 3HB LEU 12 9.644 7.834 -3.187 92 HG LEU 12 HG LEU 12 10.649 5.912 -1.744 93 HD11 LEU 12 1HD1 LEU 12 12.977 5.356 -2.256 94 HD12 LEU 12 2HD1 LEU 12 12.912 6.302 -3.759 95 HD13 LEU 12 3HD1 LEU 12 11.929 4.819 -3.562 96 HD21 LEU 12 1HD2 LEU 12 10.961 8.301 -1.290 97 HD22 LEU 12 2HD2 LEU 12 12.299 8.349 -2.462 98 HD23 LEU 12 3HD2 LEU 12 12.443 7.390 -0.979 99 HA PRO 13 HA PRO 13 5.079 6.944 -3.448 100 HB2 PRO 13 2HB PRO 13 4.540 7.595 -0.874 101 HB3 PRO 13 3HB PRO 13 4.785 5.896 -1.375 102 HG2 PRO 13 2HG PRO 13 6.870 7.791 -0.219 103 HG3 PRO 13 3HG PRO 13 6.408 6.167 0.392 104 HD2 PRO 13 2HD PRO 13 8.514 6.540 -1.268 105 HD3 PRO 13 3HD PRO 13 7.458 5.108 -1.458 106 H GLN 14 HN GLN 14 3.928 9.075 -2.255 107 HA GLN 14 HA GLN 14 5.526 11.521 -2.692 108 HB2 GLN 14 2HB GLN 14 3.017 10.647 -4.202 109 HB3 GLN 14 3HB GLN 14 3.615 12.304 -4.146 110 HG2 GLN 14 2HG GLN 14 5.685 11.702 -5.243 111 HG3 GLN 14 3HG GLN 14 5.225 9.993 -5.279 112 HE21 GLN 14 1HE2 GLN 14 3.106 9.441 -6.493 113 HE22 GLN 14 2HE2 GLN 14 2.846 10.403 -7.927 114 H ASN 15 HN ASN 15 3.505 13.357 -2.458 115 HA ASN 15 HA ASN 15 2.207 12.729 0.129 116 HB2 ASN 15 2HB ASN 15 2.376 15.110 0.732 117 HB3 ASN 15 3HB ASN 15 3.879 14.243 0.762 118 HD21 ASN 15 1HD2 ASN 15 5.295 14.448 -1.270 119 HD22 ASN 15 2HD2 ASN 15 5.421 16.078 -1.871 120 H TYR 16 HN TYR 16 0.106 12.403 -0.425 121 HA TYR 16 HA TYR 16 -1.239 14.440 -2.061 122 HB2 TYR 16 2HB TYR 16 -2.128 12.835 -3.626 123 HB3 TYR 16 3HB TYR 16 -0.394 12.709 -3.642 124 HD1 TYR 16 1HD TYR 16 0.635 10.679 -2.113 125 HD2 TYR 16 2HD TYR 16 -3.449 11.049 -3.486 126 HE1 TYR 16 1HE TYR 16 0.253 8.312 -1.592 127 HE2 TYR 16 2HE TYR 16 -3.858 8.694 -2.953 128 HH TYR 16 HH TYR 16 -1.479 6.622 -1.221 129 H ARG 17 HN ARG 17 -3.777 13.841 -1.948 130 HA ARG 17 HA ARG 17 -4.511 12.212 0.325 131 HB2 ARG 17 2HB ARG 17 -5.459 13.942 1.696 132 HB3 ARG 17 3HB ARG 17 -3.741 14.240 1.489 133 HG2 ARG 17 2HG ARG 17 -4.204 16.083 -0.075 134 HG3 ARG 17 3HG ARG 17 -5.940 15.704 -0.000 135 HD2 ARG 17 2HD ARG 17 -5.651 15.892 2.596 136 HD3 ARG 17 3HD ARG 17 -4.136 16.728 2.204 137 HE ARG 17 HE ARG 17 -6.393 17.829 0.777 138 HH11 ARG 17 1HH1 ARG 17 -5.067 17.611 4.075 139 HH12 ARG 17 2HH1 ARG 17 -5.695 19.150 4.574 140 HH21 ARG 17 1HH2 ARG 17 -7.280 19.825 1.441 141 HH22 ARG 17 2HH2 ARG 17 -7.034 20.423 3.042 142 H TRP 18 HN TRP 18 -6.970 12.640 0.786 143 HA TRP 18 HA TRP 18 -8.408 12.200 -1.638 144 HB2 TRP 18 2HB TRP 18 -9.649 13.193 0.936 145 HB3 TRP 18 3HB TRP 18 -10.375 12.145 -0.270 146 HD1 TRP 18 1HD TRP 18 -9.416 11.935 3.082 147 HE1 TRP 18 1HE TRP 18 -8.561 9.646 3.824 148 HE3 TRP 18 3HE TRP 18 -8.718 9.824 -1.460 149 HZ2 TRP 18 2HZ TRP 18 -7.205 7.359 2.560 150 HZ3 TRP 18 3HZ TRP 18 -7.650 7.571 -1.714 151 HH2 TRP 18 2HH TRP 18 -6.910 6.337 0.314 152 H SER 19 HN SER 19 -9.670 13.619 -2.893 153 HA SER 19 HA SER 19 -9.056 16.444 -2.673 154 HB2 SER 19 2HB SER 19 -9.468 14.810 -4.736 155 HB3 SER 19 3HB SER 19 -11.119 15.428 -4.609 156 HG SER 19 HG SER 19 -9.824 16.803 -5.923 157 H ALA 20 HN ALA 20 -10.765 15.391 -0.447 158 HA ALA 20 HA ALA 20 -12.766 15.745 0.629 159 HB1 ALA 20 1HB ALA 20 -11.442 17.852 0.816 160 HB2 ALA 20 2HB ALA 20 -12.376 18.512 -0.528 161 HB3 ALA 20 3HB ALA 20 -13.204 18.082 0.976 162 H GLY 21 HN GLY 21 -13.449 14.401 -1.574 163 HA2 GLY 21 2HA GLY 21 -16.044 15.626 -2.382 164 HA3 GLY 21 1HA GLY 21 -14.988 14.969 -3.635 165 H PHE 22 HN PHE 22 -14.052 12.655 -2.786 166 HA PHE 22 HA PHE 22 -16.556 11.079 -2.402 167 HB2 PHE 22 2HB PHE 22 -14.064 10.263 -3.891 168 HB3 PHE 22 3HB PHE 22 -15.619 9.485 -3.917 169 HD1 PHE 22 1HD PHE 22 -17.296 10.081 -5.494 170 HD2 PHE 22 2HD PHE 22 -13.818 12.633 -5.075 171 HE1 PHE 22 1HE PHE 22 -17.887 11.269 -7.575 172 HE2 PHE 22 2HE PHE 22 -14.445 13.810 -7.132 173 HZ PHE 22 HZ PHE 22 -16.463 13.127 -8.404 174 H ALA 23 HN ALA 23 -13.348 11.472 -1.156 175 HA ALA 23 HA ALA 23 -11.947 10.377 0.168 176 HB1 ALA 23 1HB ALA 23 -13.700 10.800 1.820 177 HB2 ALA 23 2HB ALA 23 -14.430 9.225 1.462 178 HB3 ALA 23 3HB ALA 23 -12.800 9.302 2.158 179 H GLY 24 HN GLY 24 -14.297 7.670 0.006 180 HA2 GLY 24 2HA GLY 24 -12.368 5.698 -0.154 181 HA3 GLY 24 1HA GLY 24 -14.044 5.512 -0.687 182 H SER 25 HN SER 25 -13.700 7.598 -2.860 183 HA SER 25 HA SER 25 -11.894 6.165 -4.738 184 HB2 SER 25 2HB SER 25 -13.839 6.183 -6.321 185 HB3 SER 25 3HB SER 25 -13.923 5.087 -4.948 186 HG SER 25 HG SER 25 -15.864 6.011 -5.127 187 H LYS 26 HN LYS 26 -10.694 8.286 -4.028 188 HA LYS 26 HA LYS 26 -10.767 10.000 -6.363 189 HB2 LYS 26 2HB LYS 26 -12.451 11.065 -5.043 190 HB3 LYS 26 3HB LYS 26 -11.358 11.205 -3.658 191 HG2 LYS 26 2HG LYS 26 -11.508 13.281 -4.725 192 HG3 LYS 26 3HG LYS 26 -9.895 12.675 -5.041 193 HD2 LYS 26 2HD LYS 26 -11.419 11.869 -7.312 194 HD3 LYS 26 3HD LYS 26 -12.050 13.468 -6.886 195 HE2 LYS 26 2HE LYS 26 -9.574 14.221 -6.764 196 HE3 LYS 26 3HE LYS 26 -9.185 12.696 -7.564 197 HZ1 LYS 26 1HZ LYS 26 -9.377 14.444 -9.135 198 HZ2 LYS 26 2HZ LYS 26 -10.809 14.926 -8.613 199 HZ3 LYS 26 3HZ LYS 26 -10.632 13.479 -9.432 200 H VAL 27 HN VAL 27 -8.536 10.898 -6.622 201 HA VAL 27 HA VAL 27 -6.960 11.135 -4.133 202 HB VAL 27 HB VAL 27 -4.926 10.297 -5.255 203 HG11 VAL 27 1HG1 VAL 27 -5.336 7.922 -5.011 204 HG12 VAL 27 2HG1 VAL 27 -6.295 8.769 -3.794 205 HG13 VAL 27 3HG1 VAL 27 -7.079 8.155 -5.243 206 HG21 VAL 27 1HG2 VAL 27 -5.557 10.506 -7.651 207 HG22 VAL 27 2HG2 VAL 27 -5.005 8.883 -7.244 208 HG23 VAL 27 3HG2 VAL 27 -6.738 9.184 -7.434 209 H GLU 28 HN GLU 28 -5.611 13.008 -4.095 210 HA GLU 28 HA GLU 28 -4.970 14.254 -6.646 211 HB2 GLU 28 2HB GLU 28 -6.810 15.572 -4.669 212 HB3 GLU 28 3HB GLU 28 -5.441 16.531 -5.210 213 HG2 GLU 28 2HG GLU 28 -6.139 15.856 -7.626 214 HG3 GLU 28 3HG GLU 28 -7.676 15.379 -6.895 215 HA PRO 29 HA PRO 29 -1.158 14.747 -4.279 216 HB2 PRO 29 2HB PRO 29 0.049 16.783 -5.709 217 HB3 PRO 29 3HB PRO 29 0.036 15.057 -6.166 218 HG2 PRO 29 2HG PRO 29 -1.801 17.244 -7.122 219 HG3 PRO 29 3HG PRO 29 -0.957 15.998 -8.086 220 HD2 PRO 29 2HD PRO 29 -3.559 15.729 -7.400 221 HD3 PRO 29 3HD PRO 29 -2.473 14.297 -7.338 222 H ILE 30 HN ILE 30 0.078 16.515 -3.087 223 HA ILE 30 HA ILE 30 -1.816 18.550 -2.029 224 HB ILE 30 HB ILE 30 0.726 17.324 -0.841 225 HG12 ILE 30 2HG1 ILE 30 -2.136 17.526 0.216 226 HG13 ILE 30 3HG1 ILE 30 -1.576 16.163 -0.728 227 HG21 ILE 30 1HG2 ILE 30 0.104 18.985 1.082 228 HG22 ILE 30 2HG2 ILE 30 0.822 19.727 -0.339 229 HG23 ILE 30 3HG2 ILE 30 -0.932 19.823 -0.103 230 HD11 ILE 30 1HD1 ILE 30 -0.441 16.998 1.964 231 HD12 ILE 30 2HD1 ILE 30 -1.468 15.601 1.612 232 HD13 ILE 30 3HD1 ILE 30 0.173 15.676 0.945 233 HA PRO 31 HA PRO 31 0.882 21.309 -4.527 234 HB2 PRO 31 2HB PRO 31 -0.916 23.192 -5.210 235 HB3 PRO 31 3HB PRO 31 -0.811 21.622 -6.058 236 HG2 PRO 31 2HG PRO 31 -2.728 22.436 -3.888 237 HG3 PRO 31 3HG PRO 31 -3.096 21.573 -5.402 238 HD2 PRO 31 2HD PRO 31 -2.738 20.319 -2.957 239 HD3 PRO 31 3HD PRO 31 -2.373 19.552 -4.530 240 H GLN 32 HN GLN 32 1.771 21.383 -2.362 241 HA GLN 32 HA GLN 32 2.437 22.284 -0.421 242 HB2 GLN 32 2HB GLN 32 3.022 24.577 -0.450 243 HB3 GLN 32 3HB GLN 32 3.410 23.786 -1.960 244 HG2 GLN 32 2HG GLN 32 0.886 25.442 -1.689 245 HG3 GLN 32 3HG GLN 32 2.445 26.217 -1.917 246 HE21 GLN 32 1HE2 GLN 32 -0.076 25.837 -3.677 247 HE22 GLN 32 2HE2 GLN 32 0.616 25.449 -5.247 248 H ASN 33 HN ASN 33 -0.587 21.999 -0.509 249 HA ASN 33 HA ASN 33 -1.863 24.117 0.881 250 HB2 ASN 33 2HB ASN 33 -2.539 21.162 0.775 251 HB3 ASN 33 3HB ASN 33 -3.582 22.326 1.557 252 HD21 ASN 33 1HD2 ASN 33 -2.058 23.463 -1.431 253 HD22 ASN 33 2HD2 ASN 33 -3.481 23.260 -2.382 254 H GLY 34 HN GLY 34 0.656 22.651 2.288 255 HA2 GLY 34 2HA GLY 34 0.775 23.691 4.661 256 HA3 GLY 34 1HA GLY 34 -0.317 22.336 5.032 257 HA PRO 35 HA PRO 35 3.925 20.349 5.033 258 HB2 PRO 35 2HB PRO 35 4.182 19.952 7.736 259 HB3 PRO 35 3HB PRO 35 4.812 21.407 6.938 260 HG2 PRO 35 2HG PRO 35 2.222 21.063 8.450 261 HG3 PRO 35 3HG PRO 35 3.379 22.422 8.531 262 HD2 PRO 35 2HD PRO 35 1.042 22.429 7.037 263 HD3 PRO 35 3HD PRO 35 2.475 23.400 6.610 264 H CYS 36 HN CYS 36 4.052 18.020 5.974 265 HA CYS 36 HA CYS 36 1.584 16.927 7.034 266 HB2 CYS 36 2HB CYS 36 1.605 15.146 5.224 267 HB3 CYS 36 3HB CYS 36 0.706 16.639 5.012 268 HG CYS 36 HG CYS 36 2.426 17.886 3.537 269 H GLY 37 HN GLY 37 2.992 16.649 8.654 270 HA2 GLY 37 2HA GLY 37 5.461 15.055 8.449 271 HA3 GLY 37 1HA GLY 37 4.781 15.795 9.911 272 H ASP 38 HN ASP 38 5.097 12.908 8.113 273 HA ASP 38 HA ASP 38 4.129 10.881 8.023 274 HB2 ASP 38 2HB ASP 38 4.078 11.294 11.013 275 HB3 ASP 38 3HB ASP 38 3.837 9.747 10.220 276 H ASN 39 HN ASN 39 2.368 13.058 7.720 277 HA ASN 39 HA ASN 39 -0.289 11.828 8.283 278 HB2 ASN 39 2HB ASN 39 0.404 13.700 9.926 279 HB3 ASN 39 3HB ASN 39 0.271 14.809 8.576 280 HD21 ASN 39 1HD2 ASN 39 -1.811 11.992 9.716 281 HD22 ASN 39 2HD2 ASN 39 -3.250 12.993 9.757 282 H SER 40 HN SER 40 0.543 11.192 6.010 283 HA SER 40 HA SER 40 -1.000 12.779 4.156 284 HB2 SER 40 2HB SER 40 1.452 13.560 3.931 285 HB3 SER 40 3HB SER 40 1.803 11.949 3.312 286 HG SER 40 HG SER 40 -0.191 13.692 2.262 287 H LEU 41 HN LEU 41 -0.130 11.078 1.944 288 HA LEU 41 HA LEU 41 -1.058 8.398 2.824 289 HB2 LEU 41 2HB LEU 41 -1.768 9.866 0.292 290 HB3 LEU 41 3HB LEU 41 -2.096 8.162 0.622 291 HG LEU 41 HG LEU 41 -3.310 10.544 2.069 292 HD11 LEU 41 1HD1 LEU 41 -5.351 9.700 0.993 293 HD12 LEU 41 2HD1 LEU 41 -4.451 8.339 0.290 294 HD13 LEU 41 3HD1 LEU 41 -4.070 10.011 -0.199 295 HD21 LEU 41 1HD2 LEU 41 -3.071 8.868 3.785 296 HD22 LEU 41 2HD2 LEU 41 -3.478 7.560 2.674 297 HD23 LEU 41 3HD2 LEU 41 -4.727 8.721 3.190 298 H VAL 42 HN VAL 42 -0.338 6.678 1.473 299 HA VAL 42 HA VAL 42 1.856 7.122 -0.432 300 HB VAL 42 HB VAL 42 3.088 5.206 0.538 301 HG11 VAL 42 1HG1 VAL 42 2.739 7.367 2.645 302 HG12 VAL 42 2HG1 VAL 42 4.182 6.401 2.293 303 HG13 VAL 42 3HG1 VAL 42 3.599 7.621 1.124 304 HG21 VAL 42 1HG2 VAL 42 0.918 5.176 2.616 305 HG22 VAL 42 2HG2 VAL 42 1.821 3.856 1.822 306 HG23 VAL 42 3HG2 VAL 42 2.579 4.811 3.088 307 H ALA 43 HN ALA 43 2.151 4.835 -1.713 308 HA ALA 43 HA ALA 43 -0.492 3.591 -2.132 309 HB1 ALA 43 1HB ALA 43 1.068 5.098 -4.283 310 HB2 ALA 43 2HB ALA 43 -0.411 4.144 -4.522 311 HB3 ALA 43 3HB ALA 43 -0.469 5.629 -3.559 312 H LEU 44 HN LEU 44 -0.343 1.582 -3.169 313 HA LEU 44 HA LEU 44 2.369 0.319 -3.173 314 HB2 LEU 44 2HB LEU 44 -0.034 -0.057 -1.437 315 HB3 LEU 44 3HB LEU 44 0.615 -1.532 -2.090 316 HG LEU 44 HG LEU 44 2.843 -1.099 -1.075 317 HD11 LEU 44 1HD1 LEU 44 2.934 1.338 -1.085 318 HD12 LEU 44 2HD1 LEU 44 2.938 0.835 0.577 319 HD13 LEU 44 3HD1 LEU 44 1.427 1.475 -0.131 320 HD21 LEU 44 1HD2 LEU 44 2.138 -1.435 1.212 321 HD22 LEU 44 2HD2 LEU 44 1.016 -2.275 0.143 322 HD23 LEU 44 3HD2 LEU 44 0.533 -0.734 0.884 323 H LYS 45 HN LYS 45 2.467 -1.742 -4.270 324 HA LYS 45 HA LYS 45 0.412 -2.077 -6.410 325 HB2 LYS 45 2HB LYS 45 2.645 -0.731 -6.846 326 HB3 LYS 45 3HB LYS 45 3.400 -2.324 -6.881 327 HG2 LYS 45 2HG LYS 45 1.948 -2.995 -8.719 328 HG3 LYS 45 3HG LYS 45 0.985 -1.518 -8.533 329 HD2 LYS 45 2HD LYS 45 3.256 -0.275 -9.025 330 HD3 LYS 45 3HD LYS 45 3.764 -1.823 -9.705 331 HE2 LYS 45 2HE LYS 45 1.272 -0.223 -10.459 332 HE3 LYS 45 3HE LYS 45 2.768 -0.260 -11.393 333 HZ1 LYS 45 1HZ LYS 45 1.218 -2.710 -10.839 334 HZ2 LYS 45 2HZ LYS 45 2.363 -2.497 -11.989 335 HZ3 LYS 45 3HZ LYS 45 0.876 -1.765 -12.101 336 H LEU 46 HN LEU 46 0.371 -4.271 -7.364 337 HA LEU 46 HA LEU 46 1.426 -6.334 -5.496 338 HB2 LEU 46 2HB LEU 46 -1.218 -5.511 -5.591 339 HB3 LEU 46 3HB LEU 46 -1.234 -6.820 -6.749 340 HG LEU 46 HG LEU 46 -1.883 -7.626 -4.604 341 HD11 LEU 46 1HD1 LEU 46 -0.466 -9.146 -6.011 342 HD12 LEU 46 2HD1 LEU 46 -0.438 -9.499 -4.283 343 HD13 LEU 46 3HD1 LEU 46 0.943 -8.681 -5.025 344 HD21 LEU 46 1HD2 LEU 46 0.785 -6.647 -3.481 345 HD22 LEU 46 2HD2 LEU 46 -0.504 -7.494 -2.608 346 HD23 LEU 46 3HD2 LEU 46 -0.796 -5.880 -3.233 347 H LEU 47 HN LEU 47 2.486 -7.991 -6.472 348 HA LEU 47 HA LEU 47 1.767 -8.935 -9.030 349 HB2 LEU 47 2HB LEU 47 3.437 -6.828 -9.365 350 HB3 LEU 47 3HB LEU 47 4.644 -8.030 -8.934 351 HG LEU 47 HG LEU 47 3.440 -9.500 -10.800 352 HD11 LEU 47 1HD1 LEU 47 2.358 -8.200 -12.566 353 HD12 LEU 47 2HD1 LEU 47 2.538 -6.709 -11.616 354 HD13 LEU 47 3HD1 LEU 47 1.477 -8.014 -11.057 355 HD21 LEU 47 1HD2 LEU 47 5.730 -8.575 -10.984 356 HD22 LEU 47 2HD2 LEU 47 5.040 -7.061 -11.632 357 HD23 LEU 47 3HD2 LEU 47 4.874 -8.583 -12.521 358 H SER 48 HN SER 48 4.121 -10.394 -9.501 359 HA SER 48 HA SER 48 4.001 -12.692 -8.198 360 HB2 SER 48 2HB SER 48 6.637 -11.451 -8.990 361 HB3 SER 48 3HB SER 48 6.086 -13.108 -9.300 362 HG SER 48 HG SER 48 6.133 -11.578 -11.106 363 HA PRO 49 HA PRO 49 6.076 -14.406 -7.514 364 HB2 PRO 49 2HB PRO 49 5.908 -16.044 -5.351 365 HB3 PRO 49 3HB PRO 49 7.390 -15.102 -5.725 366 HG2 PRO 49 2HG PRO 49 5.161 -14.351 -3.812 367 HG3 PRO 49 3HG PRO 49 6.917 -14.417 -3.469 368 HD2 PRO 49 2HD PRO 49 5.709 -12.085 -4.163 369 HD3 PRO 49 3HD PRO 49 7.324 -12.479 -4.815 370 H ASP 50 HN ASP 50 3.635 -13.280 -5.229 371 HA ASP 50 HA ASP 50 1.817 -15.495 -5.883 372 HB2 ASP 50 2HB ASP 50 1.834 -13.385 -3.707 373 HB3 ASP 50 3HB ASP 50 0.567 -14.595 -3.938 374 H GLY 51 HN GLY 51 -0.643 -14.268 -5.468 375 HA2 GLY 51 2HA GLY 51 -1.112 -12.036 -7.160 376 HA3 GLY 51 1HA GLY 51 -1.336 -13.533 -8.090 377 H ASP 52 HN ASP 52 -3.381 -14.285 -8.005 378 HA ASP 52 HA ASP 52 -5.575 -13.277 -6.867 379 HB2 ASP 52 2HB ASP 52 -5.752 -14.915 -8.555 380 HB3 ASP 52 3HB ASP 52 -4.862 -16.121 -7.616 381 H ASN 53 HN ASN 53 -3.712 -15.890 -5.290 382 HA ASN 53 HA ASN 53 -5.543 -16.208 -3.110 383 HB2 ASN 53 2HB ASN 53 -3.479 -17.691 -3.964 384 HB3 ASN 53 3HB ASN 53 -2.607 -16.785 -2.770 385 HD21 ASN 53 1HD2 ASN 53 -3.015 -17.149 -0.524 386 HD22 ASN 53 2HD2 ASN 53 -4.200 -18.300 0.038 387 H ALA 54 HN ALA 54 -2.408 -14.523 -3.352 388 HA ALA 54 HA ALA 54 -2.402 -13.371 -0.771 389 HB1 ALA 54 1HB ALA 54 -1.064 -12.574 -3.389 390 HB2 ALA 54 2HB ALA 54 -0.634 -11.921 -1.790 391 HB3 ALA 54 3HB ALA 54 -0.431 -13.656 -2.132 392 H TRP 55 HN TRP 55 -3.902 -12.341 -3.784 393 HA TRP 55 HA TRP 55 -4.805 -9.714 -3.150 394 HB2 TRP 55 2HB TRP 55 -5.091 -11.670 -5.237 395 HB3 TRP 55 3HB TRP 55 -6.693 -11.190 -4.757 396 HD1 TRP 55 1HD TRP 55 -4.132 -10.286 -7.092 397 HE1 TRP 55 1HE TRP 55 -4.551 -8.008 -8.105 398 HE3 TRP 55 3HE TRP 55 -7.409 -8.524 -3.597 399 HZ2 TRP 55 2HZ TRP 55 -6.186 -5.613 -7.437 400 HZ3 TRP 55 3HZ TRP 55 -8.292 -6.250 -3.759 401 HH2 TRP 55 2HH TRP 55 -7.719 -4.777 -5.676 402 H SER 56 HN SER 56 -6.616 -12.843 -2.893 403 HA SER 56 HA SER 56 -8.846 -11.703 -1.496 404 HB2 SER 56 2HB SER 56 -9.186 -14.108 -0.685 405 HB3 SER 56 3HB SER 56 -9.271 -13.780 -2.416 406 HG SER 56 HG SER 56 -7.374 -14.734 -2.763 407 H VAL 57 HN VAL 57 -6.024 -13.463 -0.098 408 HA VAL 57 HA VAL 57 -6.680 -12.978 2.572 409 HB VAL 57 HB VAL 57 -3.884 -13.181 1.388 410 HG11 VAL 57 1HG1 VAL 57 -4.885 -13.749 4.231 411 HG12 VAL 57 2HG1 VAL 57 -3.232 -14.005 3.624 412 HG13 VAL 57 3HG1 VAL 57 -3.879 -12.370 3.765 413 HG21 VAL 57 1HG2 VAL 57 -5.716 -15.324 2.585 414 HG22 VAL 57 2HG2 VAL 57 -5.344 -15.173 0.869 415 HG23 VAL 57 3HG2 VAL 57 -4.058 -15.575 2.002 416 H MET 58 HN MET 58 -4.669 -10.743 0.441 417 HA MET 58 HA MET 58 -4.256 -8.938 2.594 418 HB2 MET 58 2HB MET 58 -3.642 -7.237 1.055 419 HB3 MET 58 3HB MET 58 -2.881 -8.736 0.606 420 HG2 MET 58 2HG MET 58 -4.413 -8.944 -1.280 421 HG3 MET 58 3HG MET 58 -5.315 -7.526 -0.739 422 HE1 MET 58 1HE MET 58 -4.387 -7.578 -3.685 423 HE2 MET 58 2HE MET 58 -5.254 -6.299 -2.802 424 HE3 MET 58 3HE MET 58 -3.827 -5.895 -3.793 425 H TYR 59 HN TYR 59 -6.962 -9.110 0.201 426 HA TYR 59 HA TYR 59 -8.063 -6.650 0.997 427 HB2 TYR 59 2HB TYR 59 -8.725 -7.730 -1.060 428 HB3 TYR 59 3HB TYR 59 -9.454 -9.063 -0.167 429 HD1 TYR 59 1HD TYR 59 -11.749 -8.939 -0.690 430 HD2 TYR 59 2HD TYR 59 -9.702 -5.326 0.539 431 HE1 TYR 59 1HE TYR 59 -13.907 -7.733 -0.558 432 HE2 TYR 59 2HE TYR 59 -11.838 -4.155 0.705 433 HH TYR 59 HH TYR 59 -14.437 -4.686 -0.532 434 H LYS 60 HN LYS 60 -8.873 -9.998 2.188 435 HA LYS 60 HA LYS 60 -10.856 -9.182 4.011 436 HB2 LYS 60 2HB LYS 60 -8.946 -11.479 4.539 437 HB3 LYS 60 3HB LYS 60 -10.608 -11.266 5.063 438 HG2 LYS 60 2HG LYS 60 -11.072 -11.326 2.384 439 HG3 LYS 60 3HG LYS 60 -9.523 -12.143 2.436 440 HD2 LYS 60 2HD LYS 60 -11.951 -13.055 3.969 441 HD3 LYS 60 3HD LYS 60 -11.299 -13.756 2.475 442 HE2 LYS 60 2HE LYS 60 -9.112 -14.177 3.679 443 HE3 LYS 60 3HE LYS 60 -9.866 -13.577 5.159 444 HZ1 LYS 60 1HZ LYS 60 -10.034 -15.870 5.234 445 HZ2 LYS 60 2HZ LYS 60 -10.505 -16.043 3.693 446 HZ3 LYS 60 3HZ LYS 60 -11.550 -15.387 4.810 447 H LEU 61 HN LEU 61 -7.323 -9.553 4.429 448 HA LEU 61 HA LEU 61 -7.219 -8.878 7.194 449 HB2 LEU 61 2HB LEU 61 -5.249 -8.966 4.925 450 HB3 LEU 61 3HB LEU 61 -4.838 -7.998 6.320 451 HG LEU 61 HG LEU 61 -3.947 -10.345 6.345 452 HD11 LEU 61 1HD1 LEU 61 -5.652 -9.507 8.716 453 HD12 LEU 61 2HD1 LEU 61 -4.008 -8.959 8.343 454 HD13 LEU 61 3HD1 LEU 61 -4.298 -10.657 8.733 455 HD21 LEU 61 1HD2 LEU 61 -6.798 -11.147 7.025 456 HD22 LEU 61 2HD2 LEU 61 -5.343 -12.176 7.068 457 HD23 LEU 61 3HD2 LEU 61 -5.942 -11.543 5.526 458 H SER 62 HN SER 62 -6.772 -6.741 4.266 459 HA SER 62 HA SER 62 -6.347 -4.434 5.759 460 HB2 SER 62 2HB SER 62 -7.276 -3.234 3.689 461 HB3 SER 62 3HB SER 62 -5.837 -4.237 3.537 462 HG SER 62 HG SER 62 -8.228 -5.559 3.086 463 H GLN 63 HN GLN 63 -9.544 -5.818 4.793 464 HA GLN 63 HA GLN 63 -11.052 -3.600 5.843 465 HB2 GLN 63 2HB GLN 63 -11.795 -6.534 5.519 466 HB3 GLN 63 3HB GLN 63 -12.935 -5.263 5.949 467 HG2 GLN 63 2HG GLN 63 -11.340 -5.291 3.348 468 HG3 GLN 63 3HG GLN 63 -12.954 -5.957 3.526 469 HE21 GLN 63 1HE2 GLN 63 -14.474 -4.581 2.619 470 HE22 GLN 63 2HE2 GLN 63 -14.431 -2.843 2.732 471 H ALA 64 HN ALA 64 -9.973 -6.719 7.337 472 HA ALA 64 HA ALA 64 -11.028 -6.144 9.911 473 HB1 ALA 64 1HB ALA 64 -8.565 -7.801 9.215 474 HB2 ALA 64 2HB ALA 64 -9.454 -7.815 10.750 475 HB3 ALA 64 3HB ALA 64 -10.254 -8.378 9.274 476 H LEU 65 HN LEU 65 -7.717 -5.414 8.642 477 HA LEU 65 HA LEU 65 -6.626 -4.190 10.898 478 HB2 LEU 65 2HB LEU 65 -6.124 -3.997 7.933 479 HB3 LEU 65 3HB LEU 65 -5.508 -2.710 8.940 480 HG LEU 65 HG LEU 65 -4.441 -4.539 10.418 481 HD11 LEU 65 1HD1 LEU 65 -5.575 -6.504 9.364 482 HD12 LEU 65 2HD1 LEU 65 -3.810 -6.616 9.284 483 HD13 LEU 65 3HD1 LEU 65 -4.734 -6.138 7.847 484 HD21 LEU 65 1HD2 LEU 65 -3.491 -3.943 7.593 485 HD22 LEU 65 2HD2 LEU 65 -2.450 -4.571 8.889 486 HD23 LEU 65 3HD2 LEU 65 -3.188 -2.963 9.035 487 H SER 66 HN SER 66 -8.520 -2.729 8.289 488 HA SER 66 HA SER 66 -8.509 -0.039 9.177 489 HB2 SER 66 2HB SER 66 -10.771 -1.475 7.719 490 HB3 SER 66 3HB SER 66 -10.480 0.264 7.776 491 HG SER 66 HG SER 66 -8.853 -1.744 6.581 492 H ASP 67 HN ASP 67 -10.703 -2.752 9.967 493 HA ASP 67 HA ASP 67 -12.420 -1.173 11.577 494 HB2 ASP 67 2HB ASP 67 -12.768 -3.497 10.490 495 HB3 ASP 67 3HB ASP 67 -11.964 -4.151 11.904 496 H ILE 68 HN ILE 68 -9.241 -2.380 12.332 497 HA ILE 68 HA ILE 68 -9.745 -2.234 15.224 498 HB ILE 68 HB ILE 68 -6.977 -2.487 14.115 499 HG12 ILE 68 2HG1 ILE 68 -7.940 -4.124 12.755 500 HG13 ILE 68 3HG1 ILE 68 -7.086 -4.898 14.041 501 HG21 ILE 68 1HG2 ILE 68 -8.450 -3.650 16.476 502 HG22 ILE 68 2HG2 ILE 68 -6.722 -3.887 16.144 503 HG23 ILE 68 3HG2 ILE 68 -7.356 -2.262 16.508 504 HD11 ILE 68 1HD1 ILE 68 -9.192 -6.076 13.546 505 HD12 ILE 68 2HD1 ILE 68 -9.232 -5.434 15.200 506 HD13 ILE 68 3HD1 ILE 68 -10.136 -4.629 13.893 507 H GLU 69 HN GLU 69 -7.590 -0.577 12.842 508 HA GLU 69 HA GLU 69 -7.971 1.965 13.969 509 HB2 GLU 69 2HB GLU 69 -5.606 2.352 14.831 510 HB3 GLU 69 3HB GLU 69 -6.759 1.571 15.892 511 HG2 GLU 69 2HG GLU 69 -5.722 -0.476 15.810 512 HG3 GLU 69 3HG GLU 69 -5.082 -0.224 14.205 513 H VAL 70 HN VAL 70 -6.431 -0.137 11.731 514 HA VAL 70 HA VAL 70 -4.860 2.072 10.564 515 HB VAL 70 HB VAL 70 -4.402 -0.905 10.251 516 HG11 VAL 70 1HG1 VAL 70 -3.579 0.400 8.274 517 HG12 VAL 70 2HG1 VAL 70 -2.669 1.445 9.384 518 HG13 VAL 70 3HG1 VAL 70 -2.251 -0.270 9.224 519 HG21 VAL 70 1HG2 VAL 70 -2.867 1.189 11.843 520 HG22 VAL 70 2HG2 VAL 70 -3.804 -0.141 12.518 521 HG23 VAL 70 3HG2 VAL 70 -2.350 -0.486 11.583 522 HA PRO 71 HA PRO 71 -8.395 1.445 7.666 523 HB2 PRO 71 2HB PRO 71 -8.486 3.906 6.552 524 HB3 PRO 71 3HB PRO 71 -9.192 3.537 8.152 525 HG2 PRO 71 2HG PRO 71 -6.464 4.713 7.557 526 HG3 PRO 71 3HG PRO 71 -7.703 5.325 8.700 527 HD2 PRO 71 2HD PRO 71 -5.671 3.782 9.580 528 HD3 PRO 71 3HD PRO 71 -7.345 3.526 10.187 529 H CYS 72 HN CYS 72 -8.195 0.601 5.578 530 HA CYS 72 HA CYS 72 -5.834 1.457 3.934 531 HB2 CYS 72 2HB CYS 72 -6.964 -1.327 4.326 532 HB3 CYS 72 3HB CYS 72 -5.627 -0.915 3.238 533 HG CYS 72 HG CYS 72 -5.754 -0.481 6.561 534 H SER 73 HN SER 73 -6.186 1.376 1.667 535 HA SER 73 HA SER 73 -8.992 0.965 0.717 536 HB2 SER 73 2HB SER 73 -6.753 2.823 -0.144 537 HB3 SER 73 3HB SER 73 -8.143 2.478 -1.173 538 HG SER 73 HG SER 73 -9.471 3.456 0.244 539 H VAL 74 HN VAL 74 -9.228 -0.644 -0.821 540 HA VAL 74 HA VAL 74 -6.913 -1.667 -2.265 541 HB VAL 74 HB VAL 74 -9.357 -3.111 -1.151 542 HG11 VAL 74 1HG1 VAL 74 -8.629 -4.246 -3.105 543 HG12 VAL 74 2HG1 VAL 74 -6.929 -4.183 -2.670 544 HG13 VAL 74 3HG1 VAL 74 -8.030 -5.207 -1.741 545 HG21 VAL 74 1HG2 VAL 74 -7.635 -4.285 0.310 546 HG22 VAL 74 2HG2 VAL 74 -6.486 -3.010 -0.154 547 HG23 VAL 74 3HG2 VAL 74 -7.964 -2.614 0.746 548 H LEU 75 HN LEU 75 -7.135 -0.866 -4.363 549 HA LEU 75 HA LEU 75 -9.837 -1.071 -5.584 550 HB2 LEU 75 2HB LEU 75 -7.726 0.967 -6.309 551 HB3 LEU 75 3HB LEU 75 -9.325 0.795 -7.007 552 HG LEU 75 HG LEU 75 -8.674 1.749 -4.189 553 HD11 LEU 75 1HD1 LEU 75 -9.675 3.884 -5.021 554 HD12 LEU 75 2HD1 LEU 75 -9.805 3.152 -6.641 555 HD13 LEU 75 3HD1 LEU 75 -8.225 3.413 -5.924 556 HD21 LEU 75 1HD2 LEU 75 -10.789 0.551 -4.035 557 HD22 LEU 75 2HD2 LEU 75 -11.393 1.328 -5.511 558 HD23 LEU 75 3HD2 LEU 75 -11.126 2.279 -4.026 559 H GLU 76 HN GLU 76 -9.607 -1.266 -7.980 560 HA GLU 76 HA GLU 76 -7.184 -2.337 -9.063 561 HB2 GLU 76 2HB GLU 76 -8.028 -4.534 -9.706 562 HB3 GLU 76 3HB GLU 76 -7.970 -4.350 -7.974 563 HG2 GLU 76 2HG GLU 76 -9.947 -5.519 -8.335 564 HG3 GLU 76 3HG GLU 76 -10.477 -3.878 -7.985 565 H CYS 77 HN CYS 77 -7.389 -2.537 -11.404 566 HA CYS 77 HA CYS 77 -9.868 -1.554 -12.654 567 HB2 CYS 77 2HB CYS 77 -8.293 0.402 -11.969 568 HB3 CYS 77 3HB CYS 77 -7.213 -0.201 -13.234 569 HG CYS 77 HG CYS 77 -8.640 1.851 -14.121 570 H GLU 78 HN GLU 78 -10.254 -3.252 -14.002 571 HA GLU 78 HA GLU 78 -10.036 -4.975 -15.288 572 HB2 GLU 78 2HB GLU 78 -9.194 -3.339 -16.942 573 HB3 GLU 78 3HB GLU 78 -7.557 -3.597 -16.382 574 HG2 GLU 78 2HG GLU 78 -8.571 -6.202 -16.884 575 HG3 GLU 78 3HG GLU 78 -9.279 -5.213 -18.136 576 H GLY 79 HN GLY 79 -6.651 -4.322 -14.764 577 HA2 GLY 79 2HA GLY 79 -6.213 -6.808 -13.192 578 HA3 GLY 79 1HA GLY 79 -5.405 -6.627 -14.763 579 H GLU 80 HN GLU 80 -5.886 -3.587 -13.134 580 HA GLU 80 HA GLU 80 -3.021 -3.452 -12.482 581 HB2 GLU 80 2HB GLU 80 -3.965 -1.966 -14.206 582 HB3 GLU 80 3HB GLU 80 -5.091 -1.299 -13.026 583 HG2 GLU 80 2HG GLU 80 -3.241 0.216 -13.323 584 HG3 GLU 80 3HG GLU 80 -3.187 -0.446 -11.685 585 HA PRO 81 HA PRO 81 -5.120 -3.705 -8.343 586 HB2 PRO 81 2HB PRO 81 -3.085 -4.855 -6.928 587 HB3 PRO 81 3HB PRO 81 -4.112 -5.803 -8.040 588 HG2 PRO 81 2HG PRO 81 -1.397 -4.644 -8.640 589 HG3 PRO 81 3HG PRO 81 -1.994 -6.318 -8.923 590 HD2 PRO 81 2HD PRO 81 -2.018 -4.479 -10.909 591 HD3 PRO 81 3HD PRO 81 -3.349 -5.663 -10.692 592 H CYS 82 HN CYS 82 -5.092 -2.011 -6.838 593 HA CYS 82 HA CYS 82 -2.573 -0.552 -6.411 594 HB2 CYS 82 2HB CYS 82 -4.031 1.597 -6.754 595 HB3 CYS 82 3HB CYS 82 -3.217 0.812 -8.107 596 HG CYS 82 HG CYS 82 -5.268 -0.581 -8.950 597 H LEU 83 HN LEU 83 -2.306 -0.535 -4.329 598 HA LEU 83 HA LEU 83 -4.642 -0.357 -2.467 599 HB2 LEU 83 2HB LEU 83 -1.939 -1.665 -2.315 600 HB3 LEU 83 3HB LEU 83 -2.427 -0.774 -0.894 601 HG LEU 83 HG LEU 83 -4.340 -2.110 -0.500 602 HD11 LEU 83 1HD1 LEU 83 -4.950 -4.087 -1.876 603 HD12 LEU 83 2HD1 LEU 83 -3.779 -3.587 -3.119 604 HD13 LEU 83 3HD1 LEU 83 -5.190 -2.585 -2.762 605 HD21 LEU 83 1HD2 LEU 83 -1.952 -3.847 -1.282 606 HD22 LEU 83 2HD2 LEU 83 -3.221 -4.298 -0.147 607 HD23 LEU 83 3HD2 LEU 83 -2.148 -2.955 0.246 608 H PHE 84 HN PHE 84 -4.500 1.230 -0.832 609 HA PHE 84 HA PHE 84 -2.361 3.252 -1.072 610 HB2 PHE 84 2HB PHE 84 -5.300 4.083 -1.014 611 HB3 PHE 84 3HB PHE 84 -3.905 5.101 -1.232 612 HD1 PHE 84 1HD PHE 84 -3.281 5.738 -3.441 613 HD2 PHE 84 2HD PHE 84 -5.875 2.341 -2.895 614 HE1 PHE 84 1HE PHE 84 -3.632 5.615 -5.889 615 HE2 PHE 84 2HE PHE 84 -6.184 2.197 -5.340 616 HZ PHE 84 HZ PHE 84 -5.108 3.841 -6.847 617 H VAL 85 HN VAL 85 -1.955 4.253 0.897 618 HA VAL 85 HA VAL 85 -3.542 3.616 3.277 619 HB VAL 85 HB VAL 85 -1.143 2.779 4.166 620 HG11 VAL 85 1HG1 VAL 85 -3.010 0.792 2.819 621 HG12 VAL 85 2HG1 VAL 85 -1.937 0.551 4.235 622 HG13 VAL 85 3HG1 VAL 85 -3.353 1.569 4.375 623 HG21 VAL 85 1HG2 VAL 85 -1.166 1.633 1.347 624 HG22 VAL 85 2HG2 VAL 85 0.013 2.780 2.030 625 HG23 VAL 85 3HG2 VAL 85 -0.156 1.139 2.692 626 H ASN 86 HN ASN 86 -2.166 4.604 5.217 627 HA ASN 86 HA ASN 86 -1.919 7.394 4.498 628 HB2 ASN 86 2HB ASN 86 -1.618 5.998 7.153 629 HB3 ASN 86 3HB ASN 86 -1.537 7.721 6.946 630 HD21 ASN 86 1HD2 ASN 86 -3.490 5.273 7.944 631 HD22 ASN 86 2HD2 ASN 86 -5.076 5.931 7.574 632 H ARG 87 HN ARG 87 0.176 5.783 6.669 633 HA ARG 87 HA ARG 87 2.565 6.434 4.986 634 HB2 ARG 87 2HB ARG 87 1.932 8.493 6.339 635 HB3 ARG 87 3HB ARG 87 2.277 7.590 7.792 636 HG2 ARG 87 2HG ARG 87 4.299 8.520 7.649 637 HG3 ARG 87 3HG ARG 87 4.664 7.259 6.466 638 HD2 ARG 87 2HD ARG 87 4.149 8.777 4.625 639 HD3 ARG 87 3HD ARG 87 3.567 10.018 5.750 640 HE ARG 87 HE ARG 87 6.180 9.442 6.559 641 HH11 ARG 87 1HH1 ARG 87 4.668 10.877 3.638 642 HH12 ARG 87 2HH1 ARG 87 6.031 11.888 3.317 643 HH21 ARG 87 1HH2 ARG 87 8.016 10.602 5.951 644 HH22 ARG 87 2HH2 ARG 87 8.087 11.428 4.424 645 H GLN 88 HN GLN 88 2.074 5.465 8.415 646 HA GLN 88 HA GLN 88 4.416 3.696 8.217 647 HB2 GLN 88 2HB GLN 88 3.578 3.019 10.609 648 HB3 GLN 88 3HB GLN 88 4.423 4.525 10.339 649 HG2 GLN 88 2HG GLN 88 1.394 4.434 10.325 650 HG3 GLN 88 3HG GLN 88 2.296 4.493 11.820 651 HE21 GLN 88 1HE2 GLN 88 0.599 6.503 10.107 652 HE22 GLN 88 2HE2 GLN 88 1.556 7.998 10.223 653 H ASP 89 HN ASP 89 1.155 3.580 7.776 654 HA ASP 89 HA ASP 89 0.194 1.183 8.548 655 HB2 ASP 89 2HB ASP 89 -0.714 2.780 6.195 656 HB3 ASP 89 3HB ASP 89 -1.687 1.743 7.209 657 H GLU 90 HN GLU 90 1.817 2.104 5.484 658 HA GLU 90 HA GLU 90 1.175 -0.380 4.180 659 HB2 GLU 90 2HB GLU 90 3.084 0.031 2.692 660 HB3 GLU 90 3HB GLU 90 1.913 1.325 2.660 661 HG2 GLU 90 2HG GLU 90 3.304 2.853 3.719 662 HG3 GLU 90 3HG GLU 90 4.357 1.620 4.355 663 H PHE 91 HN PHE 91 3.837 0.767 6.205 664 HA PHE 91 HA PHE 91 5.581 -1.364 5.783 665 HB2 PHE 91 2HB PHE 91 5.482 0.219 8.338 666 HB3 PHE 91 3HB PHE 91 6.849 -0.533 7.599 667 HD1 PHE 91 1HD PHE 91 6.195 2.452 8.555 668 HD2 PHE 91 2HD PHE 91 6.554 0.554 4.715 669 HE1 PHE 91 1HE PHE 91 6.814 4.623 7.530 670 HE2 PHE 91 2HE PHE 91 7.206 2.680 3.712 671 HZ PHE 91 HZ PHE 91 7.310 4.751 5.097 672 H ALA 92 HN ALA 92 3.472 -0.693 8.264 673 HA ALA 92 HA ALA 92 3.467 -3.118 9.835 674 HB1 ALA 92 1HB ALA 92 2.392 -1.109 10.721 675 HB2 ALA 92 2HB ALA 92 1.149 -1.175 9.449 676 HB3 ALA 92 3HB ALA 92 1.234 -2.460 10.673 677 H ALA 93 HN ALA 93 1.163 -2.149 7.190 678 HA ALA 93 HA ALA 93 -0.337 -4.513 7.267 679 HB1 ALA 93 1HB ALA 93 -1.044 -3.894 4.962 680 HB2 ALA 93 2HB ALA 93 -1.130 -2.528 6.107 681 HB3 ALA 93 3HB ALA 93 0.201 -2.618 4.949 682 H THR 94 HN THR 94 2.462 -3.765 5.060 683 HA THR 94 HA THR 94 2.404 -6.367 3.857 684 HB THR 94 HB THR 94 3.541 -4.377 2.873 685 HG1 THR 94 1HG THR 94 5.582 -5.488 2.426 686 HG21 THR 94 1HG2 THR 94 4.690 -3.559 4.956 687 HG22 THR 94 2HG2 THR 94 5.728 -3.749 3.571 688 HG23 THR 94 3HG2 THR 94 5.795 -4.948 4.851 689 H CYS 95 HN CYS 95 4.110 -5.082 6.784 690 HA CYS 95 HA CYS 95 5.785 -7.158 7.311 691 HB2 CYS 95 2HB CYS 95 5.525 -5.091 8.734 692 HB3 CYS 95 3HB CYS 95 4.114 -5.823 9.487 693 HG CYS 95 HG CYS 95 5.212 -7.871 10.456 694 H ARG 96 HN ARG 96 2.391 -6.712 8.143 695 HA ARG 96 HA ARG 96 2.047 -9.018 9.735 696 HB2 ARG 96 2HB ARG 96 0.130 -7.000 8.508 697 HB3 ARG 96 3HB ARG 96 -0.460 -8.356 9.483 698 HG2 ARG 96 2HG ARG 96 0.772 -7.674 11.406 699 HG3 ARG 96 3HG ARG 96 1.764 -6.555 10.496 700 HD2 ARG 96 2HD ARG 96 0.318 -5.290 11.798 701 HD3 ARG 96 3HD ARG 96 -0.144 -5.068 10.114 702 HE ARG 96 HE ARG 96 -2.224 -5.766 10.641 703 HH11 ARG 96 1HH1 ARG 96 -0.114 -6.818 13.280 704 HH12 ARG 96 2HH1 ARG 96 -1.343 -7.664 14.161 705 HH21 ARG 96 1HH2 ARG 96 -4.003 -6.648 11.999 706 HH22 ARG 96 2HH2 ARG 96 -3.564 -7.240 13.534 707 H LEU 97 HN LEU 97 0.989 -8.226 6.381 708 HA LEU 97 HA LEU 97 -0.247 -10.749 5.921 709 HB2 LEU 97 2HB LEU 97 0.708 -8.447 4.223 710 HB3 LEU 97 3HB LEU 97 0.299 -9.952 3.412 711 HG LEU 97 HG LEU 97 -1.560 -8.258 3.544 712 HD11 LEU 97 1HD1 LEU 97 -3.291 -9.976 4.139 713 HD12 LEU 97 2HD1 LEU 97 -2.012 -11.033 4.737 714 HD13 LEU 97 3HD1 LEU 97 -2.048 -10.556 3.029 715 HD21 LEU 97 1HD2 LEU 97 -2.833 -7.946 5.522 716 HD22 LEU 97 2HD2 LEU 97 -1.191 -7.496 5.898 717 HD23 LEU 97 3HD2 LEU 97 -1.817 -9.051 6.478 718 H LYS 98 HN LYS 98 3.095 -9.649 5.276 719 HA LYS 98 HA LYS 98 4.056 -12.020 4.089 720 HB2 LYS 98 2HB LYS 98 5.337 -9.865 5.781 721 HB3 LYS 98 3HB LYS 98 6.259 -11.245 5.212 722 HG2 LYS 98 2HG LYS 98 5.854 -10.714 2.890 723 HG3 LYS 98 3HG LYS 98 4.705 -9.434 3.340 724 HD2 LYS 98 2HD LYS 98 6.486 -8.223 4.519 725 HD3 LYS 98 3HD LYS 98 7.682 -9.430 4.038 726 HE2 LYS 98 2HE LYS 98 5.962 -7.847 2.094 727 HE3 LYS 98 3HE LYS 98 7.487 -7.235 2.690 728 HZ1 LYS 98 1HZ LYS 98 7.243 -9.774 1.200 729 HZ2 LYS 98 2HZ LYS 98 8.645 -8.989 1.533 730 HZ3 LYS 98 3HZ LYS 98 7.537 -8.339 0.491 731 H ASN 99 HN ASN 99 3.642 -11.341 7.637 732 HA ASN 99 HA ASN 99 4.876 -13.962 8.156 733 HB2 ASN 99 2HB ASN 99 4.740 -13.736 10.397 734 HB3 ASN 99 3HB ASN 99 5.083 -12.092 9.789 735 HD21 ASN 99 1HD2 ASN 99 3.489 -10.487 9.754 736 HD22 ASN 99 2HD2 ASN 99 2.017 -10.809 10.644 737 H PHE 100 HN PHE 100 1.675 -12.818 7.424 738 HA PHE 100 HA PHE 100 0.209 -14.955 8.625 739 HB2 PHE 100 2HB PHE 100 -0.511 -12.565 7.831 740 HB3 PHE 100 3HB PHE 100 -0.702 -13.301 6.253 741 HD1 PHE 100 1HD PHE 100 -2.635 -14.708 5.782 742 HD2 PHE 100 2HD PHE 100 -1.935 -13.218 9.762 743 HE1 PHE 100 1HE PHE 100 -4.936 -15.360 6.425 744 HE2 PHE 100 2HE PHE 100 -4.257 -13.842 10.390 745 HZ PHE 100 HZ PHE 100 -5.759 -14.908 8.734 746 H GLY 101 HN GLY 101 2.038 -14.813 5.661 747 HA2 GLY 101 2HA GLY 101 2.381 -17.289 4.962 748 HA3 GLY 101 1HA GLY 101 0.660 -17.277 4.632 749 H VAL 102 HN VAL 102 1.442 -14.209 3.626 750 HA VAL 102 HA VAL 102 1.744 -15.227 0.837 751 HB VAL 102 HB VAL 102 0.079 -13.392 0.311 752 HG11 VAL 102 1HG1 VAL 102 -0.501 -15.786 0.313 753 HG12 VAL 102 2HG1 VAL 102 -0.885 -15.713 2.040 754 HG13 VAL 102 3HG1 VAL 102 -1.865 -14.810 0.875 755 HG21 VAL 102 1HG2 VAL 102 0.163 -12.156 2.490 756 HG22 VAL 102 2HG2 VAL 102 -1.476 -12.666 2.045 757 HG23 VAL 102 3HG2 VAL 102 -0.594 -13.547 3.293 758 H ALA 103 HN ALA 103 2.956 -14.044 -0.618 759 HA ALA 103 HA ALA 103 4.769 -12.093 0.711 760 HB1 ALA 103 1HB ALA 103 5.828 -14.162 0.053 761 HB2 ALA 103 2HB ALA 103 5.192 -14.009 -1.593 762 HB3 ALA 103 3HB ALA 103 6.390 -12.833 -1.003 763 H ILE 104 HN ILE 104 4.198 -10.070 0.238 764 HA ILE 104 HA ILE 104 3.853 -9.242 -2.569 765 HB ILE 104 HB ILE 104 2.071 -7.753 -1.911 766 HG12 ILE 104 2HG1 ILE 104 2.402 -7.139 0.337 767 HG13 ILE 104 3HG1 ILE 104 0.840 -7.913 0.230 768 HG21 ILE 104 1HG2 ILE 104 0.258 -9.359 -1.616 769 HG22 ILE 104 2HG2 ILE 104 1.502 -10.031 -2.691 770 HG23 ILE 104 3HG2 ILE 104 1.382 -10.574 -1.007 771 HD11 ILE 104 1HD1 ILE 104 3.357 -9.063 1.497 772 HD12 ILE 104 2HD1 ILE 104 1.904 -8.504 2.289 773 HD13 ILE 104 3HD1 ILE 104 1.831 -9.972 1.290 774 H ALA 105 HN ALA 105 4.390 -6.909 -2.751 775 HA ALA 105 HA ALA 105 5.846 -5.194 -2.515 776 HB1 ALA 105 1HB ALA 105 5.325 -3.748 -0.647 777 HB2 ALA 105 2HB ALA 105 3.855 -4.547 -1.192 778 HB3 ALA 105 3HB ALA 105 4.667 -5.118 0.275 779 H GLU 106 HN GLU 106 7.168 -4.148 -0.215 780 HA GLU 106 HA GLU 106 9.341 -6.161 0.220 781 HB2 GLU 106 2HB GLU 106 10.819 -4.258 0.667 782 HB3 GLU 106 3HB GLU 106 10.238 -4.316 -0.997 783 HG2 GLU 106 2HG GLU 106 8.564 -2.543 -0.485 784 HG3 GLU 106 3HG GLU 106 9.129 -2.520 1.187 785 HA PRO 107 HA PRO 107 8.212 -5.218 4.562 786 HB2 PRO 107 2HB PRO 107 10.030 -6.578 5.941 787 HB3 PRO 107 3HB PRO 107 8.975 -7.455 4.792 788 HG2 PRO 107 2HG PRO 107 11.838 -6.535 4.353 789 HG3 PRO 107 3HG PRO 107 11.097 -8.111 3.939 790 HD2 PRO 107 2HD PRO 107 11.378 -5.917 2.190 791 HD3 PRO 107 3HD PRO 107 10.227 -7.270 1.967 792 H PHE 108 HN PHE 108 8.940 -4.247 6.509 793 HA PHE 108 HA PHE 108 11.269 -2.363 6.363 794 HB2 PHE 108 2HB PHE 108 8.400 -1.825 7.219 795 HB3 PHE 108 3HB PHE 108 9.699 -0.622 7.088 796 HD1 PHE 108 1HD PHE 108 10.589 -0.095 4.774 797 HD2 PHE 108 2HD PHE 108 7.106 -2.533 5.518 798 HE1 PHE 108 1HE PHE 108 9.787 0.445 2.466 799 HE2 PHE 108 2HE PHE 108 6.262 -1.870 3.128 800 HZ PHE 108 HZ PHE 108 7.604 -0.448 1.696 801 H SER 109 HN SER 109 10.443 -4.872 7.989 802 HA SER 109 HA SER 109 10.357 -3.897 10.744 803 HB2 SER 109 2HB SER 109 11.113 -6.617 9.607 804 HB3 SER 109 3HB SER 109 10.941 -6.243 11.348 805 HG SER 109 HG SER 109 8.957 -6.966 10.557 806 H ASN 110 HN ASN 110 12.096 -4.248 12.292 807 HA ASN 110 HA ASN 110 14.172 -2.522 11.872 808 HB2 ASN 110 2HB ASN 110 14.427 -4.897 13.754 809 HB3 ASN 110 3HB ASN 110 15.136 -3.314 13.932 810 HD21 ASN 110 1HD2 ASN 110 13.507 -1.426 14.402 811 HD22 ASN 110 2HD2 ASN 110 12.097 -1.926 15.310 812 H TYR 111 HN TYR 111 15.743 -2.672 10.330 813 HA TYR 111 HA TYR 111 17.276 -3.480 8.910 814 HB2 TYR 111 2HB TYR 111 19.154 -4.723 10.074 815 HB3 TYR 111 3HB TYR 111 18.650 -3.196 10.752 816 HD1 TYR 111 1HD TYR 111 18.000 -2.981 13.006 817 HD2 TYR 111 2HD TYR 111 18.278 -6.907 11.249 818 HE1 TYR 111 1HE TYR 111 17.495 -3.993 15.207 819 HE2 TYR 111 2HE TYR 111 17.770 -7.928 13.424 820 HH TYR 111 HH TYR 111 17.349 -7.545 15.698 821 H ASN 112 HN ASN 112 14.834 -5.003 8.782 822 HA ASN 112 HA ASN 112 13.905 -6.880 7.971 823 HB2 ASN 112 2HB ASN 112 15.125 -8.042 6.064 824 HB3 ASN 112 3HB ASN 112 14.460 -6.448 5.864 825 HD21 ASN 112 1HD2 ASN 112 15.947 -4.638 5.551 826 HD22 ASN 112 2HD2 ASN 112 17.628 -4.905 5.243 827 HA PRO 113 HA PRO 113 16.445 -9.119 10.995 828 HB2 PRO 113 2HB PRO 113 14.583 -9.659 12.879 829 HB3 PRO 113 3HB PRO 113 15.149 -7.995 12.563 830 HG2 PRO 113 2HG PRO 113 12.613 -9.297 11.537 831 HG3 PRO 113 3HG PRO 113 12.804 -7.690 12.307 832 HD2 PRO 113 2HD PRO 113 12.769 -8.163 9.574 833 HD3 PRO 113 3HD PRO 113 13.582 -6.756 10.316 834 H PHE 114 HN PHE 114 13.885 -10.205 9.074 835 HA PHE 114 HA PHE 114 13.611 -12.876 10.245 836 HB2 PHE 114 2HB PHE 114 12.480 -11.810 7.645 837 HB3 PHE 114 3HB PHE 114 12.061 -13.334 8.414 838 HD1 PHE 114 1HD PHE 114 10.753 -10.162 7.917 839 HD2 PHE 114 2HD PHE 114 11.517 -12.934 11.141 840 HE1 PHE 114 1HE PHE 114 9.021 -9.066 9.262 841 HE2 PHE 114 2HE PHE 114 9.782 -11.801 12.504 842 HZ PHE 114 HZ PHE 114 8.534 -9.863 11.582 Start of MODEL 11 1 H THR 2 HN THR 2 13.132 -23.038 0.614 2 HA THR 2 HA THR 2 13.629 -22.592 -1.467 3 HB THR 2 HB THR 2 11.205 -23.623 -2.724 4 HG1 THR 2 1HG THR 2 11.989 -25.748 -1.506 5 HG21 THR 2 1HG2 THR 2 12.727 -25.345 -3.512 6 HG22 THR 2 2HG2 THR 2 13.921 -24.929 -2.259 7 HG23 THR 2 3HG2 THR 2 13.583 -23.797 -3.575 8 H SER 3 HN SER 3 12.574 -20.334 -0.256 9 HA SER 3 HA SER 3 11.851 -18.255 -0.543 10 HB2 SER 3 2HB SER 3 12.081 -18.715 -3.547 11 HB3 SER 3 3HB SER 3 12.177 -17.178 -2.684 12 HG SER 3 HG SER 3 14.083 -19.045 -3.170 13 H LEU 4 HN LEU 4 10.272 -16.699 -1.739 14 HA LEU 4 HA LEU 4 7.626 -18.038 -1.955 15 HB2 LEU 4 2HB LEU 4 8.464 -15.640 -0.278 16 HB3 LEU 4 3HB LEU 4 6.786 -16.105 -0.562 17 HG LEU 4 HG LEU 4 8.877 -17.663 0.996 18 HD11 LEU 4 1HD1 LEU 4 7.987 -15.673 2.111 19 HD12 LEU 4 2HD1 LEU 4 7.325 -17.118 2.889 20 HD13 LEU 4 3HD1 LEU 4 6.319 -16.190 1.771 21 HD21 LEU 4 1HD2 LEU 4 7.538 -19.332 -0.013 22 HD22 LEU 4 2HD2 LEU 4 6.048 -18.386 0.160 23 HD23 LEU 4 3HD2 LEU 4 6.816 -19.100 1.590 24 H GLN 5 HN GLN 5 9.720 -16.579 -3.682 25 HA GLN 5 HA GLN 5 9.820 -15.316 -5.535 26 HB2 GLN 5 2HB GLN 5 8.644 -17.606 -5.761 27 HB3 GLN 5 3HB GLN 5 7.180 -16.660 -6.028 28 HG2 GLN 5 2HG GLN 5 9.678 -16.021 -7.593 29 HG3 GLN 5 3HG GLN 5 8.825 -17.514 -7.984 30 HE21 GLN 5 1HE2 GLN 5 6.190 -17.033 -8.064 31 HE22 GLN 5 2HE2 GLN 5 5.837 -15.790 -9.224 32 H LEU 6 HN LEU 6 9.462 -13.387 -4.302 33 HA LEU 6 HA LEU 6 7.032 -11.872 -5.082 34 HB2 LEU 6 2HB LEU 6 7.020 -10.771 -2.926 35 HB3 LEU 6 3HB LEU 6 6.725 -12.478 -2.852 36 HG LEU 6 HG LEU 6 8.261 -11.243 -1.084 37 HD11 LEU 6 1HD1 LEU 6 9.185 -13.904 -2.165 38 HD12 LEU 6 2HD1 LEU 6 7.715 -13.673 -1.183 39 HD13 LEU 6 3HD1 LEU 6 9.314 -13.301 -0.507 40 HD21 LEU 6 1HD2 LEU 6 10.309 -11.865 -3.229 41 HD22 LEU 6 2HD2 LEU 6 10.688 -11.650 -1.509 42 HD23 LEU 6 3HD2 LEU 6 9.994 -10.312 -2.429 43 H SER 7 HN SER 7 9.366 -11.632 -6.640 44 HA SER 7 HA SER 7 11.035 -9.468 -5.905 45 HB2 SER 7 2HB SER 7 11.453 -9.572 -8.521 46 HB3 SER 7 3HB SER 7 12.021 -10.817 -7.410 47 HG SER 7 HG SER 7 10.820 -12.234 -8.323 48 H ILE 8 HN ILE 8 9.506 -7.861 -5.139 49 HA ILE 8 HA ILE 8 7.702 -6.416 -6.704 50 HB ILE 8 HB ILE 8 9.350 -5.109 -4.520 51 HG12 ILE 8 2HG1 ILE 8 8.821 -7.265 -3.538 52 HG13 ILE 8 3HG1 ILE 8 7.973 -5.975 -2.766 53 HG21 ILE 8 1HG2 ILE 8 6.456 -4.810 -5.418 54 HG22 ILE 8 2HG2 ILE 8 7.065 -4.148 -3.888 55 HG23 ILE 8 3HG2 ILE 8 7.743 -3.579 -5.401 56 HD11 ILE 8 1HD1 ILE 8 5.863 -6.566 -3.845 57 HD12 ILE 8 2HD1 ILE 8 6.674 -7.815 -4.818 58 HD13 ILE 8 3HD1 ILE 8 6.555 -7.994 -3.056 59 H VAL 9 HN VAL 9 7.906 -4.040 -7.422 60 HA VAL 9 HA VAL 9 10.576 -3.220 -8.287 61 HB VAL 9 HB VAL 9 8.332 -3.228 -10.331 62 HG11 VAL 9 1HG1 VAL 9 10.421 -1.962 -10.814 63 HG12 VAL 9 2HG1 VAL 9 11.350 -3.485 -10.628 64 HG13 VAL 9 3HG1 VAL 9 10.175 -3.293 -11.943 65 HG21 VAL 9 1HG2 VAL 9 8.372 -5.601 -9.831 66 HG22 VAL 9 2HG2 VAL 9 9.213 -5.345 -11.352 67 HG23 VAL 9 3HG2 VAL 9 10.144 -5.631 -9.876 68 H HIS 10 HN HIS 10 10.567 -0.913 -8.847 69 HA HIS 10 HA HIS 10 9.873 1.084 -9.361 70 HB2 HIS 10 2HB HIS 10 8.325 -0.465 -10.730 71 HB3 HIS 10 3HB HIS 10 7.043 0.092 -9.662 72 HD1 HIS 10 1HD HIS 10 9.166 3.072 -10.217 73 HD2 HIS 10 2HD HIS 10 6.386 0.799 -12.446 74 HE1 HIS 10 1HE HIS 10 8.416 4.518 -12.178 75 H ARG 11 HN ARG 11 9.805 0.507 -6.467 76 HA ARG 11 HA ARG 11 7.733 1.862 -5.133 77 HB2 ARG 11 2HB ARG 11 9.529 0.469 -4.097 78 HB3 ARG 11 3HB ARG 11 10.711 1.724 -4.456 79 HG2 ARG 11 2HG ARG 11 10.181 2.093 -2.186 80 HG3 ARG 11 3HG ARG 11 9.226 3.306 -3.032 81 HD2 ARG 11 2HD ARG 11 7.397 1.350 -3.020 82 HD3 ARG 11 3HD ARG 11 8.354 0.764 -1.665 83 HE ARG 11 HE ARG 11 7.997 2.879 -0.520 84 HH11 ARG 11 1HH1 ARG 11 5.614 1.792 -2.851 85 HH12 ARG 11 2HH1 ARG 11 4.367 2.857 -2.355 86 HH21 ARG 11 1HH2 ARG 11 6.330 3.977 0.362 87 HH22 ARG 11 2HH2 ARG 11 4.724 3.808 -0.272 88 H LEU 12 HN LEU 12 6.998 3.899 -5.720 89 HA LEU 12 HA LEU 12 8.849 6.101 -5.263 90 HB2 LEU 12 2HB LEU 12 9.096 5.559 -7.750 91 HB3 LEU 12 3HB LEU 12 7.441 6.094 -7.957 92 HG LEU 12 HG LEU 12 8.546 8.159 -6.394 93 HD11 LEU 12 1HD1 LEU 12 10.691 8.721 -7.449 94 HD12 LEU 12 2HD1 LEU 12 10.661 7.224 -8.390 95 HD13 LEU 12 3HD1 LEU 12 10.775 7.163 -6.617 96 HD21 LEU 12 1HD2 LEU 12 8.524 9.532 -8.327 97 HD22 LEU 12 2HD2 LEU 12 7.132 8.428 -8.429 98 HD23 LEU 12 3HD2 LEU 12 8.594 8.122 -9.413 99 HA PRO 13 HA PRO 13 4.535 7.097 -3.935 100 HB2 PRO 13 2HB PRO 13 5.130 8.143 -1.482 101 HB3 PRO 13 3HB PRO 13 4.949 6.387 -1.776 102 HG2 PRO 13 2HG PRO 13 7.520 8.002 -1.695 103 HG3 PRO 13 3HG PRO 13 7.153 6.474 -0.834 104 HD2 PRO 13 2HD PRO 13 8.505 6.516 -3.189 105 HD3 PRO 13 3HD PRO 13 7.347 5.209 -2.826 106 H GLN 14 HN GLN 14 3.669 9.278 -3.327 107 HA GLN 14 HA GLN 14 5.496 11.507 -3.469 108 HB2 GLN 14 2HB GLN 14 4.130 11.049 -5.793 109 HB3 GLN 14 3HB GLN 14 2.913 11.990 -4.916 110 HG2 GLN 14 2HG GLN 14 4.694 13.745 -4.514 111 HG3 GLN 14 3HG GLN 14 5.824 12.772 -5.442 112 HE21 GLN 14 1HE2 GLN 14 6.112 13.638 -7.469 113 HE22 GLN 14 2HE2 GLN 14 4.897 14.527 -8.363 114 H ASN 15 HN ASN 15 3.673 13.575 -2.811 115 HA ASN 15 HA ASN 15 2.571 12.480 -0.252 116 HB2 ASN 15 2HB ASN 15 4.031 15.008 -0.942 117 HB3 ASN 15 3HB ASN 15 2.677 15.137 0.175 118 HD21 ASN 15 1HD2 ASN 15 5.457 12.819 -0.283 119 HD22 ASN 15 2HD2 ASN 15 5.667 12.668 1.452 120 H TYR 16 HN TYR 16 0.503 11.912 -0.899 121 HA TYR 16 HA TYR 16 -1.152 14.080 -2.121 122 HB2 TYR 16 2HB TYR 16 -2.137 12.458 -3.561 123 HB3 TYR 16 3HB TYR 16 -0.415 12.430 -3.733 124 HD1 TYR 16 1HD TYR 16 -3.428 10.691 -3.101 125 HD2 TYR 16 2HD TYR 16 0.832 10.370 -2.477 126 HE1 TYR 16 1HE TYR 16 -3.686 8.281 -2.625 127 HE2 TYR 16 2HE TYR 16 0.593 7.960 -2.068 128 HH TYR 16 HH TYR 16 -1.162 6.246 -1.335 129 H ARG 17 HN ARG 17 -3.664 13.296 -1.821 130 HA ARG 17 HA ARG 17 -4.201 12.000 0.756 131 HB2 ARG 17 2HB ARG 17 -4.975 14.887 0.178 132 HB3 ARG 17 3HB ARG 17 -5.450 13.938 1.585 133 HG2 ARG 17 2HG ARG 17 -3.012 13.674 2.180 134 HG3 ARG 17 3HG ARG 17 -2.669 14.842 0.878 135 HD2 ARG 17 2HD ARG 17 -4.222 16.439 2.011 136 HD3 ARG 17 3HD ARG 17 -4.330 15.284 3.345 137 HE ARG 17 HE ARG 17 -1.828 15.528 3.570 138 HH11 ARG 17 1HH1 ARG 17 -3.734 18.264 2.201 139 HH12 ARG 17 2HH1 ARG 17 -3.034 19.374 3.306 140 HH21 ARG 17 1HH2 ARG 17 -0.308 17.149 4.098 141 HH22 ARG 17 2HH2 ARG 17 -0.734 18.833 3.891 142 H TRP 18 HN TRP 18 -6.888 12.595 1.015 143 HA TRP 18 HA TRP 18 -8.205 11.363 -1.275 144 HB2 TRP 18 2HB TRP 18 -9.565 12.836 0.991 145 HB3 TRP 18 3HB TRP 18 -10.207 11.533 0.005 146 HD1 TRP 18 1HD TRP 18 -9.467 12.004 3.359 147 HE1 TRP 18 1HE TRP 18 -8.490 9.992 4.594 148 HE3 TRP 18 3HE TRP 18 -8.189 9.106 -0.676 149 HZ2 TRP 18 2HZ TRP 18 -6.879 7.678 3.912 150 HZ3 TRP 18 3HZ TRP 18 -6.863 7.054 -0.348 151 HH2 TRP 18 2HH TRP 18 -6.125 6.386 1.901 152 H SER 19 HN SER 19 -10.199 12.566 -2.287 153 HA SER 19 HA SER 19 -9.493 15.407 -2.843 154 HB2 SER 19 2HB SER 19 -9.860 13.358 -4.580 155 HB3 SER 19 3HB SER 19 -11.514 13.875 -4.390 156 HG SER 19 HG SER 19 -11.160 15.721 -5.329 157 H ALA 20 HN ALA 20 -11.007 14.522 -0.375 158 HA ALA 20 HA ALA 20 -12.789 15.093 0.849 159 HB1 ALA 20 1HB ALA 20 -13.500 17.428 0.595 160 HB2 ALA 20 2HB ALA 20 -11.750 17.272 0.381 161 HB3 ALA 20 3HB ALA 20 -12.794 17.493 -1.022 162 H GLY 21 HN GLY 21 -13.516 13.614 -1.832 163 HA2 GLY 21 2HA GLY 21 -16.409 14.343 -1.985 164 HA3 GLY 21 1HA GLY 21 -15.469 13.513 -3.226 165 H PHE 22 HN PHE 22 -14.325 11.507 -2.420 166 HA PHE 22 HA PHE 22 -16.537 9.892 -1.345 167 HB2 PHE 22 2HB PHE 22 -14.477 8.975 -3.343 168 HB3 PHE 22 3HB PHE 22 -16.069 8.328 -3.038 169 HD1 PHE 22 1HD PHE 22 -14.193 11.061 -4.748 170 HD2 PHE 22 2HD PHE 22 -18.095 9.437 -3.918 171 HE1 PHE 22 1HE PHE 22 -15.055 12.180 -6.745 172 HE2 PHE 22 2HE PHE 22 -19.003 10.722 -5.864 173 HZ PHE 22 HZ PHE 22 -17.487 12.044 -7.297 174 H ALA 23 HN ALA 23 -13.176 10.453 -0.860 175 HA ALA 23 HA ALA 23 -11.474 9.485 0.190 176 HB1 ALA 23 1HB ALA 23 -13.669 8.505 2.032 177 HB2 ALA 23 2HB ALA 23 -11.929 8.516 2.404 178 HB3 ALA 23 3HB ALA 23 -12.792 10.040 2.109 179 H GLY 24 HN GLY 24 -13.671 6.662 0.703 180 HA2 GLY 24 2HA GLY 24 -11.654 4.799 0.472 181 HA3 GLY 24 1HA GLY 24 -13.353 4.443 0.184 182 H SER 25 HN SER 25 -13.387 6.245 -2.238 183 HA SER 25 HA SER 25 -11.697 4.650 -4.091 184 HB2 SER 25 2HB SER 25 -14.256 4.106 -3.758 185 HB3 SER 25 3HB SER 25 -14.497 5.493 -4.834 186 HG SER 25 HG SER 25 -14.173 3.174 -5.667 187 H LYS 26 HN LYS 26 -11.115 7.365 -3.022 188 HA LYS 26 HA LYS 26 -10.793 8.731 -5.612 189 HB2 LYS 26 2HB LYS 26 -12.860 9.555 -4.856 190 HB3 LYS 26 3HB LYS 26 -12.170 10.060 -3.299 191 HG2 LYS 26 2HG LYS 26 -12.259 11.982 -4.581 192 HG3 LYS 26 3HG LYS 26 -10.588 11.494 -4.755 193 HD2 LYS 26 2HD LYS 26 -11.206 10.434 -6.983 194 HD3 LYS 26 3HD LYS 26 -12.825 11.138 -6.790 195 HE2 LYS 26 2HE LYS 26 -11.700 13.402 -6.529 196 HE3 LYS 26 3HE LYS 26 -10.163 12.594 -6.886 197 HZ1 LYS 26 1HZ LYS 26 -12.515 12.991 -8.651 198 HZ2 LYS 26 2HZ LYS 26 -11.385 11.881 -9.029 199 HZ3 LYS 26 3HZ LYS 26 -10.992 13.490 -8.924 200 H VAL 27 HN VAL 27 -8.782 9.623 -5.730 201 HA VAL 27 HA VAL 27 -7.573 10.690 -3.253 202 HB VAL 27 HB VAL 27 -5.368 9.986 -4.163 203 HG11 VAL 27 1HG1 VAL 27 -5.539 7.580 -3.659 204 HG12 VAL 27 2HG1 VAL 27 -6.474 8.551 -2.502 205 HG13 VAL 27 3HG1 VAL 27 -7.288 7.644 -3.805 206 HG21 VAL 27 1HG2 VAL 27 -5.163 8.383 -5.967 207 HG22 VAL 27 2HG2 VAL 27 -6.908 8.341 -6.219 208 HG23 VAL 27 3HG2 VAL 27 -5.989 9.816 -6.583 209 H GLU 28 HN GLU 28 -5.892 12.388 -3.709 210 HA GLU 28 HA GLU 28 -5.654 13.297 -6.385 211 HB2 GLU 28 2HB GLU 28 -5.982 15.672 -6.031 212 HB3 GLU 28 3HB GLU 28 -7.482 14.720 -5.965 213 HG2 GLU 28 2HG GLU 28 -7.590 14.802 -3.669 214 HG3 GLU 28 3HG GLU 28 -5.925 15.286 -3.477 215 HA PRO 29 HA PRO 29 -1.558 14.294 -4.550 216 HB2 PRO 29 2HB PRO 29 -0.694 16.207 -6.309 217 HB3 PRO 29 3HB PRO 29 -0.650 14.448 -6.627 218 HG2 PRO 29 2HG PRO 29 -2.745 16.436 -7.527 219 HG3 PRO 29 3HG PRO 29 -1.932 15.157 -8.491 220 HD2 PRO 29 2HD PRO 29 -4.382 14.771 -7.449 221 HD3 PRO 29 3HD PRO 29 -3.177 13.438 -7.433 222 H ILE 30 HN ILE 30 -0.448 16.377 -3.740 223 HA ILE 30 HA ILE 30 -2.523 18.164 -2.534 224 HB ILE 30 HB ILE 30 0.345 17.556 -1.801 225 HG12 ILE 30 2HG1 ILE 30 -2.194 17.080 -0.183 226 HG13 ILE 30 3HG1 ILE 30 -1.430 15.864 -1.180 227 HG21 ILE 30 1HG2 ILE 30 -0.287 19.998 -1.340 228 HG22 ILE 30 2HG2 ILE 30 -1.691 19.417 -0.428 229 HG23 ILE 30 3HG2 ILE 30 -0.056 19.120 0.162 230 HD11 ILE 30 1HD1 ILE 30 -0.300 17.175 1.288 231 HD12 ILE 30 2HD1 ILE 30 -0.615 15.465 1.008 232 HD13 ILE 30 3HD1 ILE 30 0.729 16.248 0.187 233 HA PRO 31 HA PRO 31 -0.737 20.753 -5.839 234 HB2 PRO 31 2HB PRO 31 -2.787 22.447 -6.266 235 HB3 PRO 31 3HB PRO 31 -2.910 20.726 -6.729 236 HG2 PRO 31 2HG PRO 31 -4.034 22.085 -4.262 237 HG3 PRO 31 3HG PRO 31 -4.825 20.909 -5.351 238 HD2 PRO 31 2HD PRO 31 -3.553 20.250 -2.955 239 HD3 PRO 31 3HD PRO 31 -3.794 19.129 -4.315 240 H GLN 32 HN GLN 32 0.798 21.358 -4.162 241 HA GLN 32 HA GLN 32 1.926 22.761 -2.754 242 HB2 GLN 32 2HB GLN 32 2.213 25.031 -3.587 243 HB3 GLN 32 3HB GLN 32 2.407 23.795 -4.823 244 HG2 GLN 32 2HG GLN 32 0.447 24.383 -5.962 245 HG3 GLN 32 3HG GLN 32 -0.252 25.211 -4.570 246 HE21 GLN 32 1HE2 GLN 32 0.847 27.197 -3.778 247 HE22 GLN 32 2HE2 GLN 32 1.664 28.236 -4.925 248 H ASN 33 HN ASN 33 0.600 22.228 -0.976 249 HA ASN 33 HA ASN 33 -1.007 24.538 0.119 250 HB2 ASN 33 2HB ASN 33 -1.759 21.621 -0.025 251 HB3 ASN 33 3HB ASN 33 -2.209 22.537 1.398 252 HD21 ASN 33 1HD2 ASN 33 -2.345 22.944 -2.244 253 HD22 ASN 33 2HD2 ASN 33 -3.956 23.530 -2.212 254 H GLY 34 HN GLY 34 1.200 21.834 0.825 255 HA2 GLY 34 2HA GLY 34 2.849 22.096 2.545 256 HA3 GLY 34 1HA GLY 34 1.703 23.045 3.487 257 HA PRO 35 HA PRO 35 1.790 18.577 4.882 258 HB2 PRO 35 2HB PRO 35 2.863 18.870 7.369 259 HB3 PRO 35 3HB PRO 35 3.850 18.942 5.884 260 HG2 PRO 35 2HG PRO 35 2.696 21.282 7.452 261 HG3 PRO 35 3HG PRO 35 4.396 21.044 6.929 262 HD2 PRO 35 2HD PRO 35 2.625 22.532 5.505 263 HD3 PRO 35 3HD PRO 35 3.870 21.530 4.699 264 H CYS 36 HN CYS 36 0.879 17.522 6.912 265 HA CYS 36 HA CYS 36 -0.993 19.092 8.538 266 HB2 CYS 36 2HB CYS 36 -1.685 16.478 7.139 267 HB3 CYS 36 3HB CYS 36 -2.635 17.219 8.439 268 HG CYS 36 HG CYS 36 -2.836 19.585 7.092 269 H GLY 37 HN GLY 37 1.770 17.466 8.614 270 HA2 GLY 37 2HA GLY 37 2.874 16.794 10.553 271 HA3 GLY 37 1HA GLY 37 1.334 16.556 11.368 272 H ASP 38 HN ASP 38 3.559 15.111 8.976 273 HA ASP 38 HA ASP 38 3.829 13.100 8.049 274 HB2 ASP 38 2HB ASP 38 3.423 12.498 10.969 275 HB3 ASP 38 3HB ASP 38 3.624 11.184 9.824 276 H ASN 39 HN ASN 39 1.094 14.175 8.077 277 HA ASN 39 HA ASN 39 -0.625 11.827 7.528 278 HB2 ASN 39 2HB ASN 39 -1.089 14.670 8.434 279 HB3 ASN 39 3HB ASN 39 -2.255 13.990 7.307 280 HD21 ASN 39 1HD2 ASN 39 -4.012 13.129 8.257 281 HD22 ASN 39 2HD2 ASN 39 -3.967 12.230 9.764 282 H SER 40 HN SER 40 0.802 11.554 5.704 283 HA SER 40 HA SER 40 -0.783 12.620 3.503 284 HB2 SER 40 2HB SER 40 2.012 13.222 3.599 285 HB3 SER 40 3HB SER 40 1.832 11.918 2.427 286 HG SER 40 HG SER 40 0.092 13.234 1.494 287 H LEU 41 HN LEU 41 -0.517 11.023 1.585 288 HA LEU 41 HA LEU 41 -0.893 8.302 2.637 289 HB2 LEU 41 2HB LEU 41 -1.686 9.610 0.028 290 HB3 LEU 41 3HB LEU 41 -1.991 7.922 0.467 291 HG LEU 41 HG LEU 41 -3.136 10.355 1.898 292 HD11 LEU 41 1HD1 LEU 41 -4.048 9.926 -0.378 293 HD12 LEU 41 2HD1 LEU 41 -5.246 9.650 0.899 294 HD13 LEU 41 3HD1 LEU 41 -4.446 8.269 0.109 295 HD21 LEU 41 1HD2 LEU 41 -2.867 8.575 3.515 296 HD22 LEU 41 2HD2 LEU 41 -3.521 7.370 2.375 297 HD23 LEU 41 3HD2 LEU 41 -4.561 8.644 3.065 298 H VAL 42 HN VAL 42 0.010 6.537 1.397 299 HA VAL 42 HA VAL 42 2.031 7.138 -0.670 300 HB VAL 42 HB VAL 42 3.533 5.442 0.182 301 HG11 VAL 42 1HG1 VAL 42 3.098 7.561 2.308 302 HG12 VAL 42 2HG1 VAL 42 4.618 6.745 1.903 303 HG13 VAL 42 3HG1 VAL 42 3.871 7.864 0.737 304 HG21 VAL 42 1HG2 VAL 42 1.896 5.299 2.715 305 HG22 VAL 42 2HG2 VAL 42 2.166 4.030 1.518 306 HG23 VAL 42 3HG2 VAL 42 3.516 4.622 2.481 307 H ALA 43 HN ALA 43 2.390 4.953 -2.015 308 HA ALA 43 HA ALA 43 -0.190 3.501 -2.124 309 HB1 ALA 43 1HB ALA 43 -0.752 4.443 -4.064 310 HB2 ALA 43 2HB ALA 43 0.510 5.652 -3.818 311 HB3 ALA 43 3HB ALA 43 0.846 4.173 -4.753 312 H LEU 44 HN LEU 44 0.122 1.429 -2.255 313 HA LEU 44 HA LEU 44 2.768 0.209 -2.746 314 HB2 LEU 44 2HB LEU 44 0.006 -0.945 -2.201 315 HB3 LEU 44 3HB LEU 44 1.326 -1.908 -2.805 316 HG LEU 44 HG LEU 44 2.677 -1.367 -0.787 317 HD11 LEU 44 1HD1 LEU 44 1.577 -0.582 1.241 318 HD12 LEU 44 2HD1 LEU 44 0.046 -0.347 0.379 319 HD13 LEU 44 3HD1 LEU 44 1.435 0.664 -0.008 320 HD21 LEU 44 1HD2 LEU 44 1.363 -2.971 0.628 321 HD22 LEU 44 2HD2 LEU 44 1.489 -3.485 -1.068 322 HD23 LEU 44 3HD2 LEU 44 -0.009 -2.786 -0.453 323 H LYS 45 HN LYS 45 3.354 0.325 -4.788 324 HA LYS 45 HA LYS 45 1.719 -0.163 -7.146 325 HB2 LYS 45 2HB LYS 45 4.669 -0.455 -6.405 326 HB3 LYS 45 3HB LYS 45 4.083 -1.091 -7.922 327 HG2 LYS 45 2HG LYS 45 3.805 1.835 -7.133 328 HG3 LYS 45 3HG LYS 45 5.135 1.151 -8.071 329 HD2 LYS 45 2HD LYS 45 3.291 0.262 -9.679 330 HD3 LYS 45 3HD LYS 45 2.225 1.408 -8.862 331 HE2 LYS 45 2HE LYS 45 3.767 3.262 -9.432 332 HE3 LYS 45 3HE LYS 45 4.892 2.113 -10.166 333 HZ1 LYS 45 1HZ LYS 45 3.573 3.214 -11.827 334 HZ2 LYS 45 2HZ LYS 45 2.172 2.686 -11.146 335 HZ3 LYS 45 3HZ LYS 45 3.191 1.602 -11.822 336 H LEU 46 HN LEU 46 2.002 -2.266 -8.315 337 HA LEU 46 HA LEU 46 0.909 -4.351 -6.885 338 HB2 LEU 46 2HB LEU 46 1.060 -5.651 -8.841 339 HB3 LEU 46 3HB LEU 46 0.732 -3.998 -9.326 340 HG LEU 46 HG LEU 46 3.551 -5.168 -9.374 341 HD11 LEU 46 1HD1 LEU 46 3.235 -5.774 -11.708 342 HD12 LEU 46 2HD1 LEU 46 1.555 -5.230 -11.672 343 HD13 LEU 46 3HD1 LEU 46 2.067 -6.639 -10.713 344 HD21 LEU 46 1HD2 LEU 46 3.870 -3.508 -11.196 345 HD22 LEU 46 2HD2 LEU 46 3.517 -2.764 -9.626 346 HD23 LEU 46 3HD2 LEU 46 2.245 -2.864 -10.880 347 H LEU 47 HN LEU 47 1.790 -6.682 -7.144 348 HA LEU 47 HA LEU 47 4.482 -7.102 -6.197 349 HB2 LEU 47 2HB LEU 47 3.890 -8.029 -4.097 350 HB3 LEU 47 3HB LEU 47 3.110 -6.471 -4.166 351 HG LEU 47 HG LEU 47 1.648 -7.900 -3.109 352 HD11 LEU 47 1HD1 LEU 47 0.469 -7.856 -5.893 353 HD12 LEU 47 2HD1 LEU 47 0.481 -6.487 -4.744 354 HD13 LEU 47 3HD1 LEU 47 -0.393 -7.976 -4.351 355 HD21 LEU 47 1HD2 LEU 47 0.992 -10.111 -3.647 356 HD22 LEU 47 2HD2 LEU 47 2.735 -10.069 -3.978 357 HD23 LEU 47 3HD2 LEU 47 1.566 -9.994 -5.296 358 H SER 48 HN SER 48 4.462 -9.691 -5.644 359 HA SER 48 HA SER 48 2.462 -11.211 -7.113 360 HB2 SER 48 2HB SER 48 5.404 -11.287 -7.500 361 HB3 SER 48 3HB SER 48 4.342 -12.554 -8.177 362 HG SER 48 HG SER 48 4.783 -11.099 -9.804 363 HA PRO 49 HA PRO 49 2.508 -13.737 -7.471 364 HB2 PRO 49 2HB PRO 49 1.226 -15.789 -6.215 365 HB3 PRO 49 3HB PRO 49 2.948 -15.890 -6.695 366 HG2 PRO 49 2HG PRO 49 1.823 -15.136 -3.975 367 HG3 PRO 49 3HG PRO 49 3.077 -16.366 -4.349 368 HD2 PRO 49 2HD PRO 49 3.763 -13.835 -3.589 369 HD3 PRO 49 3HD PRO 49 4.692 -14.698 -4.843 370 H ASP 50 HN ASP 50 0.210 -13.787 -7.941 371 HA ASP 50 HA ASP 50 -1.362 -11.958 -6.247 372 HB2 ASP 50 2HB ASP 50 -1.418 -10.368 -7.958 373 HB3 ASP 50 3HB ASP 50 0.261 -10.820 -7.827 374 H GLY 51 HN GLY 51 -3.306 -11.411 -8.273 375 HA2 GLY 51 2HA GLY 51 -4.999 -12.344 -9.468 376 HA3 GLY 51 1HA GLY 51 -4.447 -13.983 -9.102 377 H ASP 52 HN ASP 52 -7.018 -13.760 -8.947 378 HA ASP 52 HA ASP 52 -8.280 -12.211 -7.165 379 HB2 ASP 52 2HB ASP 52 -9.201 -13.667 -9.025 380 HB3 ASP 52 3HB ASP 52 -9.372 -14.952 -7.831 381 H ASN 53 HN ASN 53 -6.792 -15.268 -6.270 382 HA ASN 53 HA ASN 53 -8.158 -15.527 -3.698 383 HB2 ASN 53 2HB ASN 53 -7.146 -17.488 -4.758 384 HB3 ASN 53 3HB ASN 53 -5.539 -16.734 -4.678 385 HD21 ASN 53 1HD2 ASN 53 -8.194 -18.151 -2.798 386 HD22 ASN 53 2HD2 ASN 53 -7.291 -18.316 -1.311 387 H ALA 54 HN ALA 54 -4.958 -14.329 -4.782 388 HA ALA 54 HA ALA 54 -4.000 -13.514 -2.193 389 HB1 ALA 54 1HB ALA 54 -3.362 -12.394 -4.978 390 HB2 ALA 54 2HB ALA 54 -2.407 -12.144 -3.519 391 HB3 ALA 54 3HB ALA 54 -2.536 -13.773 -4.218 392 H TRP 55 HN TRP 55 -5.912 -11.878 -4.730 393 HA TRP 55 HA TRP 55 -6.254 -9.327 -3.538 394 HB2 TRP 55 2HB TRP 55 -7.840 -11.032 -5.441 395 HB3 TRP 55 3HB TRP 55 -8.601 -9.627 -4.737 396 HD1 TRP 55 1HD TRP 55 -6.010 -10.549 -7.348 397 HE1 TRP 55 1HE TRP 55 -5.244 -8.458 -8.574 398 HE3 TRP 55 3HE TRP 55 -8.131 -7.087 -4.267 399 HZ2 TRP 55 2HZ TRP 55 -5.817 -5.621 -8.430 400 HZ3 TRP 55 3HZ TRP 55 -7.840 -4.637 -4.770 401 HH2 TRP 55 2HH TRP 55 -6.777 -3.940 -6.884 402 H SER 56 HN SER 56 -8.376 -12.207 -3.224 403 HA SER 56 HA SER 56 -10.156 -11.151 -1.251 404 HB2 SER 56 2HB SER 56 -9.168 -14.022 -1.777 405 HB3 SER 56 3HB SER 56 -10.609 -13.581 -0.879 406 HG SER 56 HG SER 56 -10.120 -13.223 -3.653 407 H VAL 57 HN VAL 57 -7.076 -13.072 -0.686 408 HA VAL 57 HA VAL 57 -7.264 -12.790 2.117 409 HB VAL 57 HB VAL 57 -4.752 -13.015 0.378 410 HG11 VAL 57 1HG1 VAL 57 -4.138 -12.326 2.686 411 HG12 VAL 57 2HG1 VAL 57 -5.128 -13.636 3.362 412 HG13 VAL 57 3HG1 VAL 57 -3.685 -13.994 2.381 413 HG21 VAL 57 1HG2 VAL 57 -4.916 -15.428 0.915 414 HG22 VAL 57 2HG2 VAL 57 -6.386 -15.137 1.867 415 HG23 VAL 57 3HG2 VAL 57 -6.395 -14.914 0.110 416 H MET 58 HN MET 58 -5.374 -10.573 -0.115 417 HA MET 58 HA MET 58 -4.612 -8.988 2.120 418 HB2 MET 58 2HB MET 58 -3.826 -7.314 0.596 419 HB3 MET 58 3HB MET 58 -3.340 -8.917 0.052 420 HG2 MET 58 2HG MET 58 -5.126 -8.826 -1.679 421 HG3 MET 58 3HG MET 58 -5.606 -7.238 -1.079 422 HE1 MET 58 1HE MET 58 -4.197 -5.826 -4.211 423 HE2 MET 58 2HE MET 58 -5.114 -7.343 -4.096 424 HE3 MET 58 3HE MET 58 -5.523 -5.972 -3.039 425 H TYR 59 HN TYR 59 -7.421 -8.664 -0.097 426 HA TYR 59 HA TYR 59 -8.254 -6.136 0.837 427 HB2 TYR 59 2HB TYR 59 -9.005 -7.122 -1.289 428 HB3 TYR 59 3HB TYR 59 -9.914 -8.344 -0.412 429 HD1 TYR 59 1HD TYR 59 -9.823 -4.725 0.672 430 HD2 TYR 59 2HD TYR 59 -12.083 -7.815 -1.349 431 HE1 TYR 59 1HE TYR 59 -11.765 -3.257 0.620 432 HE2 TYR 59 2HE TYR 59 -14.043 -6.328 -1.403 433 HH TYR 59 HH TYR 59 -14.820 -4.087 -1.042 434 H LYS 60 HN LYS 60 -9.392 -9.481 1.751 435 HA LYS 60 HA LYS 60 -11.292 -8.603 3.643 436 HB2 LYS 60 2HB LYS 60 -9.630 -11.158 3.532 437 HB3 LYS 60 3HB LYS 60 -10.994 -10.887 4.612 438 HG2 LYS 60 2HG LYS 60 -12.473 -10.527 2.564 439 HG3 LYS 60 3HG LYS 60 -11.197 -10.888 1.552 440 HD2 LYS 60 2HD LYS 60 -11.694 -12.929 3.697 441 HD3 LYS 60 3HD LYS 60 -12.909 -12.730 2.423 442 HE2 LYS 60 2HE LYS 60 -10.959 -12.816 0.777 443 HE3 LYS 60 3HE LYS 60 -9.983 -13.455 2.110 444 HZ1 LYS 60 1HZ LYS 60 -12.462 -14.657 1.006 445 HZ2 LYS 60 2HZ LYS 60 -11.611 -15.263 2.282 446 HZ3 LYS 60 3HZ LYS 60 -10.966 -15.238 0.769 447 H LEU 61 HN LEU 61 -7.785 -9.293 4.007 448 HA LEU 61 HA LEU 61 -7.752 -8.757 6.833 449 HB2 LEU 61 2HB LEU 61 -5.679 -9.020 4.672 450 HB3 LEU 61 3HB LEU 61 -5.232 -8.120 6.117 451 HG LEU 61 HG LEU 61 -5.806 -9.960 7.581 452 HD11 LEU 61 1HD1 LEU 61 -7.653 -11.046 6.371 453 HD12 LEU 61 2HD1 LEU 61 -6.375 -12.213 6.694 454 HD13 LEU 61 3HD1 LEU 61 -6.551 -11.517 5.068 455 HD21 LEU 61 1HD2 LEU 61 -4.008 -11.443 6.969 456 HD22 LEU 61 2HD2 LEU 61 -3.554 -9.804 6.521 457 HD23 LEU 61 3HD2 LEU 61 -4.098 -10.947 5.265 458 H SER 62 HN SER 62 -7.245 -6.558 4.003 459 HA SER 62 HA SER 62 -6.519 -4.339 5.669 460 HB2 SER 62 2HB SER 62 -7.655 -3.090 3.518 461 HB3 SER 62 3HB SER 62 -5.973 -3.599 3.665 462 HG SER 62 HG SER 62 -6.598 -5.582 2.631 463 H GLN 63 HN GLN 63 -9.735 -5.359 4.424 464 HA GLN 63 HA GLN 63 -11.270 -3.368 5.712 465 HB2 GLN 63 2HB GLN 63 -11.926 -6.311 5.258 466 HB3 GLN 63 3HB GLN 63 -13.105 -5.072 5.674 467 HG2 GLN 63 2HG GLN 63 -11.420 -4.950 3.132 468 HG3 GLN 63 3HG GLN 63 -12.979 -5.757 3.232 469 HE21 GLN 63 1HE2 GLN 63 -14.734 -4.482 2.575 470 HE22 GLN 63 2HE2 GLN 63 -14.797 -2.765 2.991 471 H ALA 64 HN ALA 64 -10.046 -6.487 7.025 472 HA ALA 64 HA ALA 64 -11.271 -6.185 9.605 473 HB1 ALA 64 1HB ALA 64 -9.783 -8.005 10.283 474 HB2 ALA 64 2HB ALA 64 -10.509 -8.380 8.717 475 HB3 ALA 64 3HB ALA 64 -8.824 -7.823 8.811 476 H LEU 65 HN LEU 65 -8.293 -4.841 8.275 477 HA LEU 65 HA LEU 65 -7.256 -4.078 10.919 478 HB2 LEU 65 2HB LEU 65 -6.395 -3.247 8.125 479 HB3 LEU 65 3HB LEU 65 -5.545 -2.831 9.603 480 HG LEU 65 HG LEU 65 -5.928 -5.717 8.771 481 HD11 LEU 65 1HD1 LEU 65 -3.432 -4.040 8.353 482 HD12 LEU 65 2HD1 LEU 65 -4.608 -4.451 7.093 483 HD13 LEU 65 3HD1 LEU 65 -3.712 -5.743 7.908 484 HD21 LEU 65 1HD2 LEU 65 -4.137 -4.447 10.834 485 HD22 LEU 65 2HD2 LEU 65 -4.159 -6.171 10.364 486 HD23 LEU 65 3HD2 LEU 65 -5.567 -5.460 11.132 487 H SER 66 HN SER 66 -8.998 -2.557 8.209 488 HA SER 66 HA SER 66 -8.997 0.100 9.099 489 HB2 SER 66 2HB SER 66 -9.764 -1.037 6.855 490 HB3 SER 66 3HB SER 66 -11.340 -1.166 7.646 491 HG SER 66 HG SER 66 -11.290 1.144 7.890 492 H ASP 67 HN ASP 67 -11.188 -2.598 9.768 493 HA ASP 67 HA ASP 67 -13.074 -1.490 11.452 494 HB2 ASP 67 2HB ASP 67 -12.820 -3.839 10.493 495 HB3 ASP 67 3HB ASP 67 -11.664 -4.157 11.784 496 H ILE 68 HN ILE 68 -9.668 -1.768 12.168 497 HA ILE 68 HA ILE 68 -10.123 -1.533 15.060 498 HB ILE 68 HB ILE 68 -7.452 -1.780 13.702 499 HG12 ILE 68 2HG1 ILE 68 -8.592 -3.634 12.769 500 HG13 ILE 68 3HG1 ILE 68 -7.480 -4.189 13.988 501 HG21 ILE 68 1HG2 ILE 68 -6.796 -2.744 15.835 502 HG22 ILE 68 2HG2 ILE 68 -7.501 -1.136 16.045 503 HG23 ILE 68 3HG2 ILE 68 -8.460 -2.574 16.440 504 HD11 ILE 68 1HD1 ILE 68 -9.570 -5.461 14.053 505 HD12 ILE 68 2HD1 ILE 68 -9.332 -4.567 15.562 506 HD13 ILE 68 3HD1 ILE 68 -10.500 -3.989 14.355 507 H GLU 69 HN GLU 69 -7.744 -0.062 12.781 508 HA GLU 69 HA GLU 69 -8.598 2.676 13.379 509 HB2 GLU 69 2HB GLU 69 -6.582 3.362 14.508 510 HB3 GLU 69 3HB GLU 69 -7.425 2.132 15.448 511 HG2 GLU 69 2HG GLU 69 -5.889 0.405 14.698 512 HG3 GLU 69 3HG GLU 69 -5.134 1.520 13.567 513 H VAL 70 HN VAL 70 -7.756 0.666 11.037 514 HA VAL 70 HA VAL 70 -5.480 2.270 9.970 515 HB VAL 70 HB VAL 70 -5.920 -0.704 9.706 516 HG11 VAL 70 1HG1 VAL 70 -3.612 -0.769 8.969 517 HG12 VAL 70 2HG1 VAL 70 -4.487 0.355 7.944 518 HG13 VAL 70 3HG1 VAL 70 -3.432 0.979 9.226 519 HG21 VAL 70 1HG2 VAL 70 -4.137 0.778 11.636 520 HG22 VAL 70 2HG2 VAL 70 -5.486 -0.294 12.062 521 HG23 VAL 70 3HG2 VAL 70 -4.018 -0.954 11.308 522 HA PRO 71 HA PRO 71 -8.786 2.274 6.744 523 HB2 PRO 71 2HB PRO 71 -8.329 4.816 5.772 524 HB3 PRO 71 3HB PRO 71 -9.460 4.407 7.096 525 HG2 PRO 71 2HG PRO 71 -6.624 5.426 7.292 526 HG3 PRO 71 3HG PRO 71 -8.061 5.941 8.231 527 HD2 PRO 71 2HD PRO 71 -6.222 4.196 9.233 528 HD3 PRO 71 3HD PRO 71 -7.964 4.034 9.607 529 H CYS 72 HN CYS 72 -8.135 1.037 5.128 530 HA CYS 72 HA CYS 72 -5.764 1.736 3.511 531 HB2 CYS 72 2HB CYS 72 -5.941 -0.919 3.095 532 HB3 CYS 72 3HB CYS 72 -4.783 -0.170 4.138 533 HG CYS 72 HG CYS 72 -6.611 -0.298 6.289 534 H SER 73 HN SER 73 -6.119 1.967 1.442 535 HA SER 73 HA SER 73 -8.838 1.446 0.354 536 HB2 SER 73 2HB SER 73 -6.836 3.554 0.086 537 HB3 SER 73 3HB SER 73 -7.196 2.834 -1.496 538 HG SER 73 HG SER 73 -9.190 3.722 0.319 539 H VAL 74 HN VAL 74 -9.077 -0.009 -1.289 540 HA VAL 74 HA VAL 74 -6.712 -1.454 -2.335 541 HB VAL 74 HB VAL 74 -9.359 -2.596 -1.322 542 HG11 VAL 74 1HG1 VAL 74 -6.890 -3.932 -2.430 543 HG12 VAL 74 2HG1 VAL 74 -8.019 -4.775 -1.351 544 HG13 VAL 74 3HG1 VAL 74 -8.603 -4.115 -2.870 545 HG21 VAL 74 1HG2 VAL 74 -8.354 -1.858 0.652 546 HG22 VAL 74 2HG2 VAL 74 -7.920 -3.550 0.541 547 HG23 VAL 74 3HG2 VAL 74 -6.726 -2.310 0.127 548 H LEU 75 HN LEU 75 -6.667 -0.989 -4.576 549 HA LEU 75 HA LEU 75 -9.186 -1.276 -6.045 550 HB2 LEU 75 2HB LEU 75 -7.582 1.285 -6.496 551 HB3 LEU 75 3HB LEU 75 -9.064 0.726 -7.246 552 HG LEU 75 HG LEU 75 -10.219 0.937 -5.061 553 HD11 LEU 75 1HD1 LEU 75 -9.417 2.607 -3.459 554 HD12 LEU 75 2HD1 LEU 75 -7.990 2.951 -4.457 555 HD13 LEU 75 3HD1 LEU 75 -8.130 1.410 -3.616 556 HD21 LEU 75 1HD2 LEU 75 -10.700 3.321 -5.449 557 HD22 LEU 75 2HD2 LEU 75 -10.580 2.446 -6.984 558 HD23 LEU 75 3HD2 LEU 75 -9.243 3.472 -6.420 559 H GLU 76 HN GLU 76 -8.630 -1.129 -8.519 560 HA GLU 76 HA GLU 76 -5.843 -2.077 -9.003 561 HB2 GLU 76 2HB GLU 76 -6.801 -3.460 -10.832 562 HB3 GLU 76 3HB GLU 76 -7.248 -4.007 -9.232 563 HG2 GLU 76 2HG GLU 76 -9.209 -2.156 -10.504 564 HG3 GLU 76 3HG GLU 76 -8.976 -3.691 -11.328 565 H CYS 77 HN CYS 77 -5.105 -1.676 -11.180 566 HA CYS 77 HA CYS 77 -6.599 0.095 -12.944 567 HB2 CYS 77 2HB CYS 77 -3.705 0.610 -12.093 568 HB3 CYS 77 3HB CYS 77 -4.541 1.450 -13.405 569 HG CYS 77 HG CYS 77 -6.473 2.420 -11.882 570 H GLU 78 HN GLU 78 -5.579 -0.234 -15.176 571 HA GLU 78 HA GLU 78 -4.580 -1.363 -16.841 572 HB2 GLU 78 2HB GLU 78 -2.411 -0.827 -14.758 573 HB3 GLU 78 3HB GLU 78 -2.121 -1.343 -16.417 574 HG2 GLU 78 2HG GLU 78 -3.483 0.569 -17.219 575 HG3 GLU 78 3HG GLU 78 -3.407 1.260 -15.581 576 H GLY 79 HN GLY 79 -4.947 -3.288 -14.353 577 HA2 GLY 79 2HA GLY 79 -5.441 -5.742 -14.836 578 HA3 GLY 79 1HA GLY 79 -3.971 -5.723 -15.795 579 H GLU 80 HN GLU 80 -3.772 -3.837 -12.782 580 HA GLU 80 HA GLU 80 -2.364 -6.068 -11.434 581 HB2 GLU 80 2HB GLU 80 -0.495 -4.592 -11.002 582 HB3 GLU 80 3HB GLU 80 -0.777 -4.704 -12.733 583 HG2 GLU 80 2HG GLU 80 -2.167 -2.470 -12.376 584 HG3 GLU 80 3HG GLU 80 -1.303 -2.379 -10.848 585 HA PRO 81 HA PRO 81 -4.347 -4.168 -7.846 586 HB2 PRO 81 2HB PRO 81 -2.723 -4.997 -5.781 587 HB3 PRO 81 3HB PRO 81 -3.803 -6.109 -6.666 588 HG2 PRO 81 2HG PRO 81 -0.852 -5.653 -7.096 589 HG3 PRO 81 3HG PRO 81 -1.736 -7.209 -6.991 590 HD2 PRO 81 2HD PRO 81 -1.082 -6.093 -9.388 591 HD3 PRO 81 3HD PRO 81 -2.620 -6.967 -9.154 592 H CYS 82 HN CYS 82 -4.300 -2.393 -6.468 593 HA CYS 82 HA CYS 82 -1.752 -0.999 -5.971 594 HB2 CYS 82 2HB CYS 82 -4.403 0.235 -6.842 595 HB3 CYS 82 3HB CYS 82 -2.994 1.126 -6.238 596 HG CYS 82 HG CYS 82 -1.435 0.819 -8.058 597 H LEU 83 HN LEU 83 -1.589 -0.406 -3.822 598 HA LEU 83 HA LEU 83 -4.067 -0.584 -2.150 599 HB2 LEU 83 2HB LEU 83 -2.066 -2.532 -2.043 600 HB3 LEU 83 3HB LEU 83 -1.656 -1.423 -0.740 601 HG LEU 83 HG LEU 83 -4.119 -1.610 -0.011 602 HD11 LEU 83 1HD1 LEU 83 -3.937 -4.097 -1.739 603 HD12 LEU 83 2HD1 LEU 83 -5.025 -2.716 -1.972 604 HD13 LEU 83 3HD1 LEU 83 -5.195 -3.739 -0.535 605 HD21 LEU 83 1HD2 LEU 83 -3.647 -3.594 1.320 606 HD22 LEU 83 2HD2 LEU 83 -2.225 -2.546 1.252 607 HD23 LEU 83 3HD2 LEU 83 -2.285 -4.020 0.245 608 H PHE 84 HN PHE 84 -4.455 1.405 -1.513 609 HA PHE 84 HA PHE 84 -2.224 3.321 -1.226 610 HB2 PHE 84 2HB PHE 84 -5.187 3.866 -1.196 611 HB3 PHE 84 3HB PHE 84 -3.904 5.024 -1.443 612 HD1 PHE 84 1HD PHE 84 -5.746 2.138 -2.966 613 HD2 PHE 84 2HD PHE 84 -2.886 5.271 -3.611 614 HE1 PHE 84 1HE PHE 84 -5.767 1.646 -5.372 615 HE2 PHE 84 2HE PHE 84 -2.866 4.741 -6.052 616 HZ PHE 84 HZ PHE 84 -4.367 2.977 -6.941 617 H VAL 85 HN VAL 85 -1.393 3.652 0.769 618 HA VAL 85 HA VAL 85 -3.088 3.154 3.182 619 HB VAL 85 HB VAL 85 -0.979 2.457 4.274 620 HG11 VAL 85 1HG1 VAL 85 -2.651 0.777 3.575 621 HG12 VAL 85 2HG1 VAL 85 -1.655 0.471 2.125 622 HG13 VAL 85 3HG1 VAL 85 -0.999 0.209 3.781 623 HG21 VAL 85 1HG2 VAL 85 0.849 1.549 2.920 624 HG22 VAL 85 2HG2 VAL 85 0.127 2.292 1.478 625 HG23 VAL 85 3HG2 VAL 85 0.673 3.300 2.851 626 H ASN 86 HN ASN 86 -1.636 4.280 5.175 627 HA ASN 86 HA ASN 86 -1.824 7.093 4.385 628 HB2 ASN 86 2HB ASN 86 -1.426 5.614 7.022 629 HB3 ASN 86 3HB ASN 86 -1.143 7.364 6.880 630 HD21 ASN 86 1HD2 ASN 86 -3.644 5.001 7.309 631 HD22 ASN 86 2HD2 ASN 86 -4.898 6.208 7.189 632 H ARG 87 HN ARG 87 0.442 5.968 6.552 633 HA ARG 87 HA ARG 87 2.755 6.582 4.692 634 HB2 ARG 87 2HB ARG 87 2.063 8.601 6.074 635 HB3 ARG 87 3HB ARG 87 2.477 7.711 7.518 636 HG2 ARG 87 2HG ARG 87 4.469 8.765 7.234 637 HG3 ARG 87 3HG ARG 87 4.809 7.383 6.183 638 HD2 ARG 87 2HD ARG 87 3.869 8.839 4.245 639 HD3 ARG 87 3HD ARG 87 3.932 10.182 5.380 640 HE ARG 87 HE ARG 87 6.220 8.723 4.205 641 HH11 ARG 87 1HH1 ARG 87 5.298 10.992 6.788 642 HH12 ARG 87 2HH1 ARG 87 6.859 11.696 6.910 643 HH21 ARG 87 1HH2 ARG 87 8.248 9.511 4.443 644 HH22 ARG 87 2HH2 ARG 87 8.688 10.716 5.615 645 H GLN 88 HN GLN 88 2.614 5.879 8.077 646 HA GLN 88 HA GLN 88 4.709 3.937 8.153 647 HB2 GLN 88 2HB GLN 88 3.322 3.479 10.451 648 HB3 GLN 88 3HB GLN 88 4.487 4.770 10.263 649 HG2 GLN 88 2HG GLN 88 1.550 5.224 9.707 650 HG3 GLN 88 3HG GLN 88 2.185 5.190 11.327 651 HE21 GLN 88 1HE2 GLN 88 1.044 7.431 10.565 652 HE22 GLN 88 2HE2 GLN 88 2.134 8.777 10.235 653 H ASP 89 HN ASP 89 1.362 3.693 7.383 654 HA ASP 89 HA ASP 89 0.938 0.960 8.088 655 HB2 ASP 89 2HB ASP 89 -0.850 2.541 7.935 656 HB3 ASP 89 3HB ASP 89 -0.659 2.662 6.226 657 H GLU 90 HN GLU 90 2.739 2.260 5.375 658 HA GLU 90 HA GLU 90 2.297 -0.098 3.742 659 HB2 GLU 90 2HB GLU 90 3.369 1.835 2.703 660 HB3 GLU 90 3HB GLU 90 4.746 1.715 3.822 661 HG2 GLU 90 2HG GLU 90 5.381 -0.459 2.912 662 HG3 GLU 90 3HG GLU 90 3.878 -0.580 2.000 663 H PHE 91 HN PHE 91 4.902 0.872 5.992 664 HA PHE 91 HA PHE 91 6.287 -1.525 5.917 665 HB2 PHE 91 2HB PHE 91 6.216 0.387 8.267 666 HB3 PHE 91 3HB PHE 91 7.551 -0.625 7.777 667 HD1 PHE 91 1HD PHE 91 7.633 -0.038 4.764 668 HD2 PHE 91 2HD PHE 91 7.033 2.601 8.143 669 HE1 PHE 91 1HE PHE 91 8.548 1.826 3.480 670 HE2 PHE 91 2HE PHE 91 7.889 4.491 6.796 671 HZ PHE 91 HZ PHE 91 8.691 4.105 4.483 672 H ALA 92 HN ALA 92 3.987 -0.363 8.259 673 HA ALA 92 HA ALA 92 3.873 -2.592 10.027 674 HB1 ALA 92 1HB ALA 92 1.632 -0.653 9.327 675 HB2 ALA 92 2HB ALA 92 1.632 -1.786 10.684 676 HB3 ALA 92 3HB ALA 92 2.825 -0.463 10.639 677 H ALA 93 HN ALA 93 1.520 -1.853 7.319 678 HA ALA 93 HA ALA 93 0.054 -4.217 7.609 679 HB1 ALA 93 1HB ALA 93 0.445 -2.612 5.082 680 HB2 ALA 93 2HB ALA 93 -0.827 -3.798 5.409 681 HB3 ALA 93 3HB ALA 93 -0.747 -2.297 6.356 682 H THR 94 HN THR 94 3.055 -3.574 5.598 683 HA THR 94 HA THR 94 2.823 -6.163 4.393 684 HB THR 94 HB THR 94 4.024 -4.356 3.272 685 HG1 THR 94 1HG THR 94 4.668 -6.246 2.476 686 HG21 THR 94 1HG2 THR 94 6.351 -4.876 5.153 687 HG22 THR 94 2HG2 THR 94 5.323 -3.432 5.221 688 HG23 THR 94 3HG2 THR 94 6.281 -3.741 3.788 689 H CYS 95 HN CYS 95 4.555 -5.014 7.320 690 HA CYS 95 HA CYS 95 5.873 -7.405 7.956 691 HB2 CYS 95 2HB CYS 95 6.028 -5.143 9.160 692 HB3 CYS 95 3HB CYS 95 4.535 -5.563 9.994 693 HG CYS 95 HG CYS 95 5.338 -7.247 11.509 694 H ARG 96 HN ARG 96 2.535 -6.401 8.895 695 HA ARG 96 HA ARG 96 2.021 -8.917 10.256 696 HB2 ARG 96 2HB ARG 96 -0.385 -8.211 10.201 697 HB3 ARG 96 3HB ARG 96 0.750 -7.127 11.029 698 HG2 ARG 96 2HG ARG 96 0.683 -5.563 9.213 699 HG3 ARG 96 3HG ARG 96 -0.163 -6.738 8.178 700 HD2 ARG 96 2HD ARG 96 -1.827 -5.428 8.744 701 HD3 ARG 96 3HD ARG 96 -1.988 -6.685 9.977 702 HE ARG 96 HE ARG 96 -1.033 -3.876 10.224 703 HH11 ARG 96 1HH1 ARG 96 -2.052 -6.800 11.998 704 HH12 ARG 96 2HH1 ARG 96 -2.184 -5.970 13.513 705 HH21 ARG 96 1HH2 ARG 96 -1.159 -2.815 12.229 706 HH22 ARG 96 2HH2 ARG 96 -1.979 -3.606 13.537 707 H LEU 97 HN LEU 97 1.254 -7.853 6.888 708 HA LEU 97 HA LEU 97 -0.305 -10.180 6.256 709 HB2 LEU 97 2HB LEU 97 1.090 -8.012 4.700 710 HB3 LEU 97 3HB LEU 97 0.669 -9.474 3.857 711 HG LEU 97 HG LEU 97 -0.982 -7.583 3.678 712 HD11 LEU 97 1HD1 LEU 97 -1.915 -10.316 4.598 713 HD12 LEU 97 2HD1 LEU 97 -1.562 -9.771 2.945 714 HD13 LEU 97 3HD1 LEU 97 -2.948 -9.101 3.800 715 HD21 LEU 97 1HD2 LEU 97 -1.152 -6.784 5.951 716 HD22 LEU 97 2HD2 LEU 97 -1.751 -8.360 6.521 717 HD23 LEU 97 3HD2 LEU 97 -2.718 -7.363 5.405 718 H LYS 98 HN LYS 98 3.200 -9.445 5.860 719 HA LYS 98 HA LYS 98 3.876 -11.951 4.669 720 HB2 LYS 98 2HB LYS 98 5.399 -9.870 6.272 721 HB3 LYS 98 3HB LYS 98 6.187 -11.371 5.760 722 HG2 LYS 98 2HG LYS 98 5.913 -10.953 3.489 723 HG3 LYS 98 3HG LYS 98 4.586 -9.805 3.726 724 HD2 LYS 98 2HD LYS 98 6.072 -8.096 4.497 725 HD3 LYS 98 3HD LYS 98 7.484 -9.188 4.377 726 HE2 LYS 98 2HE LYS 98 7.029 -9.479 1.946 727 HE3 LYS 98 3HE LYS 98 5.581 -8.470 2.111 728 HZ1 LYS 98 1HZ LYS 98 7.279 -7.172 1.173 729 HZ2 LYS 98 2HZ LYS 98 8.363 -7.594 2.362 730 HZ3 LYS 98 3HZ LYS 98 7.031 -6.612 2.671 731 H ASN 99 HN ASN 99 3.520 -10.994 8.089 732 HA ASN 99 HA ASN 99 4.270 -13.596 9.052 733 HB2 ASN 99 2HB ASN 99 3.568 -11.121 10.264 734 HB3 ASN 99 3HB ASN 99 2.342 -12.261 10.807 735 HD21 ASN 99 1HD2 ASN 99 5.898 -12.485 10.103 736 HD22 ASN 99 2HD2 ASN 99 6.282 -13.281 11.606 737 H PHE 100 HN PHE 100 1.201 -12.471 7.696 738 HA PHE 100 HA PHE 100 -0.280 -14.855 8.482 739 HB2 PHE 100 2HB PHE 100 -0.778 -12.498 6.736 740 HB3 PHE 100 3HB PHE 100 -1.364 -13.987 6.070 741 HD1 PHE 100 1HD PHE 100 -1.323 -12.308 9.461 742 HD2 PHE 100 2HD PHE 100 -3.557 -14.520 6.502 743 HE1 PHE 100 1HE PHE 100 -3.390 -12.085 10.832 744 HE2 PHE 100 2HE PHE 100 -5.596 -14.263 7.826 745 HZ PHE 100 HZ PHE 100 -5.538 -13.035 10.016 746 H GLY 101 HN GLY 101 2.229 -14.213 6.168 747 HA2 GLY 101 2HA GLY 101 3.389 -16.137 5.287 748 HA3 GLY 101 1HA GLY 101 1.833 -16.878 4.895 749 H VAL 102 HN VAL 102 1.131 -13.777 4.098 750 HA VAL 102 HA VAL 102 1.854 -14.277 1.270 751 HB VAL 102 HB VAL 102 0.062 -12.535 0.859 752 HG11 VAL 102 1HG1 VAL 102 -1.691 -14.257 0.946 753 HG12 VAL 102 2HG1 VAL 102 -0.158 -14.947 0.397 754 HG13 VAL 102 3HG1 VAL 102 -0.707 -15.234 2.065 755 HG21 VAL 102 1HG2 VAL 102 -0.191 -11.746 3.248 756 HG22 VAL 102 2HG2 VAL 102 -1.696 -12.255 2.478 757 HG23 VAL 102 3HG2 VAL 102 -0.901 -13.323 3.655 758 H ALA 103 HN ALA 103 3.608 -13.362 0.634 759 HA ALA 103 HA ALA 103 4.642 -10.857 1.747 760 HB1 ALA 103 1HB ALA 103 6.332 -11.058 -0.017 761 HB2 ALA 103 2HB ALA 103 6.274 -12.521 0.993 762 HB3 ALA 103 3HB ALA 103 5.540 -12.523 -0.634 763 H ILE 104 HN ILE 104 3.129 -9.308 1.417 764 HA ILE 104 HA ILE 104 2.835 -8.517 -1.424 765 HB ILE 104 HB ILE 104 1.054 -6.962 -0.675 766 HG12 ILE 104 2HG1 ILE 104 -0.230 -7.301 1.326 767 HG13 ILE 104 3HG1 ILE 104 0.828 -8.597 1.869 768 HG21 ILE 104 1HG2 ILE 104 0.512 -9.178 -1.698 769 HG22 ILE 104 2HG2 ILE 104 0.427 -9.899 -0.090 770 HG23 ILE 104 3HG2 ILE 104 -0.732 -8.647 -0.573 771 HD11 ILE 104 1HD1 ILE 104 1.848 -5.758 1.549 772 HD12 ILE 104 2HD1 ILE 104 1.011 -6.301 3.008 773 HD13 ILE 104 3HD1 ILE 104 2.512 -7.105 2.534 774 H ALA 105 HN ALA 105 3.298 -6.247 -1.816 775 HA ALA 105 HA ALA 105 4.597 -4.470 -1.831 776 HB1 ALA 105 1HB ALA 105 4.462 -3.019 -0.037 777 HB2 ALA 105 2HB ALA 105 3.175 -4.167 0.392 778 HB3 ALA 105 3HB ALA 105 4.757 -4.295 1.153 779 H GLU 106 HN GLU 106 6.493 -3.292 -0.953 780 HA GLU 106 HA GLU 106 8.954 -4.663 -1.131 781 HB2 GLU 106 2HB GLU 106 7.984 -1.899 -0.259 782 HB3 GLU 106 3HB GLU 106 9.668 -2.347 -0.150 783 HG2 GLU 106 2HG GLU 106 8.946 -3.096 -2.773 784 HG3 GLU 106 3HG GLU 106 8.100 -1.576 -2.509 785 HA PRO 107 HA PRO 107 9.701 -5.205 3.343 786 HB2 PRO 107 2HB PRO 107 12.396 -5.017 3.482 787 HB3 PRO 107 3HB PRO 107 11.597 -6.387 2.661 788 HG2 PRO 107 2HG PRO 107 12.750 -3.872 1.404 789 HG3 PRO 107 3HG PRO 107 13.030 -5.562 0.900 790 HD2 PRO 107 2HD PRO 107 11.154 -3.940 -0.264 791 HD3 PRO 107 3HD PRO 107 10.901 -5.695 -0.135 792 H PHE 108 HN PHE 108 10.710 -3.916 5.124 793 HA PHE 108 HA PHE 108 10.741 -0.986 4.629 794 HB2 PHE 108 2HB PHE 108 10.233 -0.891 7.130 795 HB3 PHE 108 3HB PHE 108 8.997 -1.311 5.972 796 HD1 PHE 108 1HD PHE 108 11.518 -3.062 8.120 797 HD2 PHE 108 2HD PHE 108 7.616 -3.050 6.369 798 HE1 PHE 108 1HE PHE 108 11.068 -5.288 9.156 799 HE2 PHE 108 2HE PHE 108 7.191 -5.331 7.293 800 HZ PHE 108 HZ PHE 108 8.907 -6.441 8.712 801 H SER 109 HN SER 109 13.177 -2.367 3.931 802 HA SER 109 HA SER 109 14.842 -2.584 6.317 803 HB2 SER 109 2HB SER 109 15.377 -2.969 3.337 804 HB3 SER 109 3HB SER 109 16.472 -3.389 4.672 805 HG SER 109 HG SER 109 15.474 -5.140 4.991 806 H ASN 110 HN ASN 110 17.219 -1.748 5.400 807 HA ASN 110 HA ASN 110 17.369 1.129 5.354 808 HB2 ASN 110 2HB ASN 110 19.084 -0.772 6.034 809 HB3 ASN 110 3HB ASN 110 19.460 -0.798 4.314 810 HD21 ASN 110 1HD2 ASN 110 21.198 -0.056 6.718 811 HD22 ASN 110 2HD2 ASN 110 21.779 1.513 6.243 812 H TYR 111 HN TYR 111 18.936 1.758 3.281 813 HA TYR 111 HA TYR 111 17.248 2.226 1.095 814 HB2 TYR 111 2HB TYR 111 19.360 3.271 0.189 815 HB3 TYR 111 3HB TYR 111 18.816 3.816 1.754 816 HD1 TYR 111 1HD TYR 111 21.039 4.837 2.097 817 HD2 TYR 111 2HD TYR 111 20.633 0.537 1.708 818 HE1 TYR 111 1HE TYR 111 23.266 4.507 3.098 819 HE2 TYR 111 2HE TYR 111 22.778 0.214 2.645 820 HH TYR 111 HH TYR 111 24.681 1.202 3.468 821 H ASN 112 HN ASN 112 16.796 -0.226 0.750 822 HA ASN 112 HA ASN 112 16.825 -2.032 -0.617 823 HB2 ASN 112 2HB ASN 112 18.519 -0.455 -2.569 824 HB3 ASN 112 3HB ASN 112 17.482 -1.826 -2.903 825 HD21 ASN 112 1HD2 ASN 112 17.666 1.595 -2.556 826 HD22 ASN 112 2HD2 ASN 112 15.966 1.972 -2.824 827 HA PRO 113 HA PRO 113 21.109 -2.914 1.032 828 HB2 PRO 113 2HB PRO 113 20.543 -4.806 2.867 829 HB3 PRO 113 3HB PRO 113 20.172 -3.070 3.142 830 HG2 PRO 113 2HG PRO 113 18.280 -5.204 2.107 831 HG3 PRO 113 3HG PRO 113 18.054 -4.137 3.526 832 HD2 PRO 113 2HD PRO 113 17.053 -3.510 1.064 833 HD3 PRO 113 3HD PRO 113 17.715 -2.237 2.131 834 H PHE 114 HN PHE 114 18.872 -4.770 -0.609 835 HA PHE 114 HA PHE 114 20.165 -7.374 -0.616 836 HB2 PHE 114 2HB PHE 114 18.282 -7.857 -2.226 837 HB3 PHE 114 3HB PHE 114 17.849 -7.366 -0.623 838 HD1 PHE 114 1HD PHE 114 18.439 -5.656 -3.981 839 HD2 PHE 114 2HD PHE 114 16.126 -5.859 -0.337 840 HE1 PHE 114 1HE PHE 114 16.898 -3.944 -4.857 841 HE2 PHE 114 2HE PHE 114 14.579 -4.134 -1.238 842 HZ PHE 114 HZ PHE 114 14.949 -3.193 -3.502 Start of MODEL 12 1 H THR 2 HN THR 2 14.560 -22.083 -2.339 2 HA THR 2 HA THR 2 16.070 -21.464 -4.826 3 HB THR 2 HB THR 2 13.519 -23.110 -4.559 4 HG1 THR 2 1HG THR 2 14.800 -24.884 -4.817 5 HG21 THR 2 1HG2 THR 2 13.766 -22.083 -6.800 6 HG22 THR 2 2HG2 THR 2 14.019 -23.831 -6.863 7 HG23 THR 2 3HG2 THR 2 15.420 -22.742 -6.922 8 H SER 3 HN SER 3 14.917 -19.958 -6.297 9 HA SER 3 HA SER 3 13.926 -17.820 -4.786 10 HB2 SER 3 2HB SER 3 13.444 -17.722 -7.701 11 HB3 SER 3 3HB SER 3 14.359 -16.632 -6.665 12 HG SER 3 HG SER 3 15.870 -17.543 -7.900 13 H LEU 4 HN LEU 4 11.939 -16.543 -5.365 14 HA LEU 4 HA LEU 4 9.541 -18.281 -5.564 15 HB2 LEU 4 2HB LEU 4 10.194 -16.256 -3.391 16 HB3 LEU 4 3HB LEU 4 8.678 -17.119 -3.565 17 HG LEU 4 HG LEU 4 11.369 -18.366 -2.888 18 HD11 LEU 4 1HD1 LEU 4 10.438 -16.995 -1.074 19 HD12 LEU 4 2HD1 LEU 4 10.364 -18.719 -0.665 20 HD13 LEU 4 3HD1 LEU 4 8.893 -17.867 -1.192 21 HD21 LEU 4 1HD2 LEU 4 10.012 -20.409 -2.372 22 HD22 LEU 4 2HD2 LEU 4 10.029 -20.005 -4.090 23 HD23 LEU 4 3HD2 LEU 4 8.605 -19.623 -3.104 24 H GLN 5 HN GLN 5 11.062 -16.099 -7.124 25 HA GLN 5 HA GLN 5 10.724 -14.375 -8.447 26 HB2 GLN 5 2HB GLN 5 9.378 -16.463 -9.199 27 HB3 GLN 5 3HB GLN 5 7.973 -15.452 -8.870 28 HG2 GLN 5 2HG GLN 5 10.122 -14.161 -10.487 29 HG3 GLN 5 3HG GLN 5 9.419 -15.589 -11.233 30 HE21 GLN 5 1HE2 GLN 5 7.032 -15.669 -11.605 31 HE22 GLN 5 2HE2 GLN 5 6.198 -14.141 -11.813 32 H LEU 6 HN LEU 6 10.837 -12.806 -6.946 33 HA LEU 6 HA LEU 6 8.428 -11.149 -6.580 34 HB2 LEU 6 2HB LEU 6 9.106 -10.572 -4.282 35 HB3 LEU 6 3HB LEU 6 8.439 -12.158 -4.534 36 HG LEU 6 HG LEU 6 10.337 -11.932 -2.892 37 HD11 LEU 6 1HD1 LEU 6 9.605 -14.105 -3.968 38 HD12 LEU 6 2HD1 LEU 6 11.235 -14.059 -3.272 39 HD13 LEU 6 3HD1 LEU 6 11.028 -13.954 -5.026 40 HD21 LEU 6 1HD2 LEU 6 12.656 -11.975 -3.768 41 HD22 LEU 6 2HD2 LEU 6 11.810 -10.465 -4.145 42 HD23 LEU 6 3HD2 LEU 6 11.993 -11.691 -5.404 43 H SER 7 HN SER 7 10.059 -10.671 -8.647 44 HA SER 7 HA SER 7 12.037 -8.658 -8.049 45 HB2 SER 7 2HB SER 7 10.648 -9.402 -10.656 46 HB3 SER 7 3HB SER 7 12.111 -8.417 -10.462 47 HG SER 7 HG SER 7 12.905 -10.367 -9.260 48 H ILE 8 HN ILE 8 10.366 -7.488 -6.617 49 HA ILE 8 HA ILE 8 8.349 -5.950 -8.010 50 HB ILE 8 HB ILE 8 9.199 -4.927 -5.338 51 HG12 ILE 8 2HG1 ILE 8 9.506 -7.304 -4.808 52 HG13 ILE 8 3HG1 ILE 8 8.140 -6.602 -3.986 53 HG21 ILE 8 1HG2 ILE 8 6.676 -5.042 -5.054 54 HG22 ILE 8 2HG2 ILE 8 7.200 -4.115 -6.470 55 HG23 ILE 8 3HG2 ILE 8 6.556 -5.744 -6.673 56 HD11 ILE 8 1HD1 ILE 8 6.552 -7.718 -5.368 57 HD12 ILE 8 2HD1 ILE 8 7.824 -8.339 -6.469 58 HD13 ILE 8 3HD1 ILE 8 7.706 -8.900 -4.784 59 H VAL 9 HN VAL 9 8.301 -3.500 -7.865 60 HA VAL 9 HA VAL 9 10.763 -2.553 -9.118 61 HB VAL 9 HB VAL 9 8.001 -1.256 -9.101 62 HG11 VAL 9 1HG1 VAL 9 10.206 -1.245 -11.210 63 HG12 VAL 9 2HG1 VAL 9 8.618 -0.486 -11.378 64 HG13 VAL 9 3HG1 VAL 9 9.746 0.135 -10.186 65 HG21 VAL 9 1HG2 VAL 9 7.550 -3.532 -9.800 66 HG22 VAL 9 2HG2 VAL 9 7.575 -2.537 -11.248 67 HG23 VAL 9 3HG2 VAL 9 8.977 -3.559 -10.854 68 H HIS 10 HN HIS 10 11.294 -0.139 -8.861 69 HA HIS 10 HA HIS 10 11.429 0.763 -6.104 70 HB2 HIS 10 2HB HIS 10 11.984 2.239 -8.730 71 HB3 HIS 10 3HB HIS 10 12.364 2.823 -7.120 72 HD1 HIS 10 1HD HIS 10 13.632 -0.012 -6.101 73 HD2 HIS 10 2HD HIS 10 14.628 2.409 -9.379 74 HE1 HIS 10 1HE HIS 10 16.024 -0.603 -6.691 75 H ARG 11 HN ARG 11 9.806 1.946 -9.065 76 HA ARG 11 HA ARG 11 8.054 3.206 -9.489 77 HB2 ARG 11 2HB ARG 11 7.137 1.216 -7.926 78 HB3 ARG 11 3HB ARG 11 6.651 2.579 -6.927 79 HG2 ARG 11 2HG ARG 11 4.764 2.247 -8.333 80 HG3 ARG 11 3HG ARG 11 5.641 3.542 -9.140 81 HD2 ARG 11 2HD ARG 11 6.818 1.553 -10.446 82 HD3 ARG 11 3HD ARG 11 5.385 0.641 -9.924 83 HE ARG 11 HE ARG 11 4.573 3.126 -11.018 84 HH11 ARG 11 1HH1 ARG 11 5.716 -0.082 -12.069 85 HH12 ARG 11 2HH1 ARG 11 5.174 0.150 -13.697 86 HH21 ARG 11 1HH2 ARG 11 4.030 3.441 -13.240 87 HH22 ARG 11 2HH2 ARG 11 4.242 2.149 -14.380 88 H LEU 12 HN LEU 12 6.318 4.749 -7.829 89 HA LEU 12 HA LEU 12 7.835 6.457 -6.185 90 HB2 LEU 12 2HB LEU 12 8.668 7.191 -8.526 91 HB3 LEU 12 3HB LEU 12 7.065 7.878 -8.755 92 HG LEU 12 HG LEU 12 7.468 8.993 -6.386 93 HD11 LEU 12 1HD1 LEU 12 9.538 7.645 -5.854 94 HD12 LEU 12 2HD1 LEU 12 9.824 9.381 -5.831 95 HD13 LEU 12 3HD1 LEU 12 10.355 8.422 -7.223 96 HD21 LEU 12 1HD2 LEU 12 7.389 10.241 -8.513 97 HD22 LEU 12 2HD2 LEU 12 9.148 9.952 -8.722 98 HD23 LEU 12 3HD2 LEU 12 8.556 10.920 -7.367 99 HA PRO 13 HA PRO 13 3.247 6.422 -5.631 100 HB2 PRO 13 2HB PRO 13 3.188 6.799 -2.911 101 HB3 PRO 13 3HB PRO 13 3.508 5.211 -3.673 102 HG2 PRO 13 2HG PRO 13 5.527 7.190 -2.595 103 HG3 PRO 13 3HG PRO 13 5.458 5.426 -2.338 104 HD2 PRO 13 2HD PRO 13 7.072 6.572 -4.206 105 HD3 PRO 13 3HD PRO 13 6.325 4.974 -4.475 106 H GLN 14 HN GLN 14 5.604 8.631 -4.185 107 HA GLN 14 HA GLN 14 5.805 10.763 -3.872 108 HB2 GLN 14 2HB GLN 14 4.643 10.714 -6.372 109 HB3 GLN 14 3HB GLN 14 3.558 11.791 -5.508 110 HG2 GLN 14 2HG GLN 14 5.565 13.159 -4.807 111 HG3 GLN 14 3HG GLN 14 6.621 12.005 -5.612 112 HE21 GLN 14 1HE2 GLN 14 5.627 15.062 -6.026 113 HE22 GLN 14 2HE2 GLN 14 5.644 15.121 -7.772 114 H ASN 15 HN ASN 15 3.691 12.824 -3.504 115 HA ASN 15 HA ASN 15 2.830 11.804 -0.823 116 HB2 ASN 15 2HB ASN 15 4.337 14.320 -1.572 117 HB3 ASN 15 3HB ASN 15 3.259 14.274 -0.184 118 HD21 ASN 15 1HD2 ASN 15 6.139 12.391 -1.510 119 HD22 ASN 15 2HD2 ASN 15 6.669 11.980 0.094 120 H TYR 16 HN TYR 16 0.606 11.578 -1.059 121 HA TYR 16 HA TYR 16 -0.837 13.814 -2.381 122 HB2 TYR 16 2HB TYR 16 -1.972 12.302 -3.869 123 HB3 TYR 16 3HB TYR 16 -0.253 12.103 -4.054 124 HD1 TYR 16 1HD TYR 16 -3.410 10.624 -3.346 125 HD2 TYR 16 2HD TYR 16 0.839 9.955 -2.926 126 HE1 TYR 16 1HE TYR 16 -3.842 8.262 -2.695 127 HE2 TYR 16 2HE TYR 16 0.436 7.640 -2.308 128 HH TYR 16 HH TYR 16 -1.458 6.080 -1.422 129 H ARG 17 HN ARG 17 -3.351 13.222 -2.153 130 HA ARG 17 HA ARG 17 -4.020 11.957 0.368 131 HB2 ARG 17 2HB ARG 17 -4.795 13.931 1.478 132 HB3 ARG 17 3HB ARG 17 -3.071 14.022 1.165 133 HG2 ARG 17 2HG ARG 17 -3.530 15.510 -0.828 134 HG3 ARG 17 3HG ARG 17 -5.242 15.507 -0.379 135 HD2 ARG 17 2HD ARG 17 -2.898 16.558 1.257 136 HD3 ARG 17 3HD ARG 17 -4.189 17.503 0.520 137 HE ARG 17 HE ARG 17 -4.162 16.009 3.016 138 HH11 ARG 17 1HH1 ARG 17 -6.273 17.754 0.715 139 HH12 ARG 17 2HH1 ARG 17 -7.547 17.844 1.838 140 HH21 ARG 17 1HH2 ARG 17 -6.073 15.711 4.249 141 HH22 ARG 17 2HH2 ARG 17 -7.547 16.510 3.763 142 H TRP 18 HN TRP 18 -6.552 12.949 0.803 143 HA TRP 18 HA TRP 18 -8.054 12.160 -1.577 144 HB2 TRP 18 2HB TRP 18 -9.151 13.391 0.967 145 HB3 TRP 18 3HB TRP 18 -9.987 12.363 -0.180 146 HD1 TRP 18 1HD TRP 18 -8.997 12.229 3.161 147 HE1 TRP 18 1HE TRP 18 -8.204 9.989 4.022 148 HE3 TRP 18 3HE TRP 18 -8.092 9.862 -1.271 149 HZ2 TRP 18 2HZ TRP 18 -7.621 7.357 2.971 150 HZ3 TRP 18 3HZ TRP 18 -7.469 7.472 -1.336 151 HH2 TRP 18 2HH TRP 18 -7.212 6.201 0.784 152 H SER 19 HN SER 19 -9.410 13.605 -2.810 153 HA SER 19 HA SER 19 -8.512 16.376 -2.929 154 HB2 SER 19 2HB SER 19 -9.058 14.575 -4.802 155 HB3 SER 19 3HB SER 19 -10.701 15.111 -4.528 156 HG SER 19 HG SER 19 -8.630 16.959 -5.233 157 H ALA 20 HN ALA 20 -10.251 15.542 -0.561 158 HA ALA 20 HA ALA 20 -12.001 16.266 0.662 159 HB1 ALA 20 1HB ALA 20 -12.381 18.673 0.610 160 HB2 ALA 20 2HB ALA 20 -10.659 18.319 0.418 161 HB3 ALA 20 3HB ALA 20 -11.632 18.784 -0.986 162 H GLY 21 HN GLY 21 -12.820 15.134 -2.180 163 HA2 GLY 21 2HA GLY 21 -15.504 16.394 -2.405 164 HA3 GLY 21 1HA GLY 21 -14.598 15.613 -3.705 165 H PHE 22 HN PHE 22 -13.795 13.260 -2.520 166 HA PHE 22 HA PHE 22 -16.389 11.896 -2.081 167 HB2 PHE 22 2HB PHE 22 -14.272 10.755 -3.884 168 HB3 PHE 22 3HB PHE 22 -15.938 10.298 -3.749 169 HD1 PHE 22 1HD PHE 22 -13.590 12.744 -5.253 170 HD2 PHE 22 2HD PHE 22 -17.745 11.728 -4.750 171 HE1 PHE 22 1HE PHE 22 -14.128 14.175 -7.144 172 HE2 PHE 22 2HE PHE 22 -18.326 13.253 -6.602 173 HZ PHE 22 HZ PHE 22 -16.542 14.484 -7.816 174 H ALA 23 HN ALA 23 -13.171 12.062 -0.996 175 HA ALA 23 HA ALA 23 -11.705 10.756 0.064 176 HB1 ALA 23 1HB ALA 23 -14.199 9.855 1.551 177 HB2 ALA 23 2HB ALA 23 -12.525 9.815 2.151 178 HB3 ALA 23 3HB ALA 23 -13.326 11.367 1.822 179 H GLY 24 HN GLY 24 -14.270 8.254 0.074 180 HA2 GLY 24 2HA GLY 24 -12.443 6.119 0.208 181 HA3 GLY 24 1HA GLY 24 -14.124 6.013 -0.328 182 H SER 25 HN SER 25 -13.708 7.776 -2.628 183 HA SER 25 HA SER 25 -11.801 6.301 -4.340 184 HB2 SER 25 2HB SER 25 -14.773 6.148 -4.616 185 HB3 SER 25 3HB SER 25 -13.836 6.413 -6.096 186 HG SER 25 HG SER 25 -14.170 4.101 -4.990 187 H LYS 26 HN LYS 26 -10.797 8.371 -3.661 188 HA LYS 26 HA LYS 26 -10.719 9.794 -6.100 189 HB2 LYS 26 2HB LYS 26 -12.445 11.128 -4.837 190 HB3 LYS 26 3HB LYS 26 -11.211 11.557 -3.663 191 HG2 LYS 26 2HG LYS 26 -11.436 13.337 -5.253 192 HG3 LYS 26 3HG LYS 26 -9.883 12.581 -5.544 193 HD2 LYS 26 2HD LYS 26 -11.723 11.241 -7.263 194 HD3 LYS 26 3HD LYS 26 -12.223 12.927 -7.289 195 HE2 LYS 26 2HE LYS 26 -10.551 13.455 -8.669 196 HE3 LYS 26 3HE LYS 26 -9.383 12.910 -7.477 197 HZ1 LYS 26 1HZ LYS 26 -10.588 11.355 -9.683 198 HZ2 LYS 26 2HZ LYS 26 -9.856 10.568 -8.475 199 HZ3 LYS 26 3HZ LYS 26 -8.994 11.608 -9.400 200 H VAL 27 HN VAL 27 -8.558 10.674 -6.316 201 HA VAL 27 HA VAL 27 -6.890 10.846 -3.893 202 HB VAL 27 HB VAL 27 -5.038 9.814 -5.296 203 HG11 VAL 27 1HG1 VAL 27 -5.657 7.520 -4.762 204 HG12 VAL 27 2HG1 VAL 27 -6.230 8.589 -3.470 205 HG13 VAL 27 3HG1 VAL 27 -7.370 7.945 -4.665 206 HG21 VAL 27 1HG2 VAL 27 -5.684 8.270 -7.144 207 HG22 VAL 27 2HG2 VAL 27 -7.347 8.801 -7.047 208 HG23 VAL 27 3HG2 VAL 27 -6.083 9.941 -7.554 209 H GLU 28 HN GLU 28 -5.315 12.570 -4.055 210 HA GLU 28 HA GLU 28 -4.813 13.699 -6.667 211 HB2 GLU 28 2HB GLU 28 -6.464 15.121 -4.585 212 HB3 GLU 28 3HB GLU 28 -5.098 16.027 -5.226 213 HG2 GLU 28 2HG GLU 28 -5.976 15.302 -7.573 214 HG3 GLU 28 3HG GLU 28 -7.505 15.020 -6.730 215 HA PRO 29 HA PRO 29 -0.867 14.235 -4.513 216 HB2 PRO 29 2HB PRO 29 0.240 16.206 -6.113 217 HB3 PRO 29 3HB PRO 29 0.270 14.446 -6.430 218 HG2 PRO 29 2HG PRO 29 -1.616 16.514 -7.564 219 HG3 PRO 29 3HG PRO 29 -0.845 15.133 -8.400 220 HD2 PRO 29 2HD PRO 29 -3.415 15.081 -7.545 221 HD3 PRO 29 3HD PRO 29 -2.392 13.607 -7.466 222 H ILE 30 HN ILE 30 0.121 15.665 -3.078 223 HA ILE 30 HA ILE 30 -1.593 17.499 -1.711 224 HB ILE 30 HB ILE 30 1.339 16.758 -1.533 225 HG12 ILE 30 2HG1 ILE 30 -1.096 16.348 0.260 226 HG13 ILE 30 3HG1 ILE 30 -0.314 15.126 -0.711 227 HG21 ILE 30 1HG2 ILE 30 -0.181 18.696 0.268 228 HG22 ILE 30 2HG2 ILE 30 1.495 18.163 0.519 229 HG23 ILE 30 3HG2 ILE 30 1.128 19.174 -0.857 230 HD11 ILE 30 1HD1 ILE 30 0.695 16.416 1.826 231 HD12 ILE 30 2HD1 ILE 30 0.431 14.701 1.474 232 HD13 ILE 30 3HD1 ILE 30 1.791 15.562 0.722 233 HA PRO 31 HA PRO 31 -0.639 20.642 -4.770 234 HB2 PRO 31 2HB PRO 31 -2.550 22.477 -4.219 235 HB3 PRO 31 3HB PRO 31 -2.939 20.879 -4.907 236 HG2 PRO 31 2HG PRO 31 -3.150 21.766 -2.030 237 HG3 PRO 31 3HG PRO 31 -4.311 20.798 -2.969 238 HD2 PRO 31 2HD PRO 31 -2.407 19.741 -1.238 239 HD3 PRO 31 3HD PRO 31 -3.129 18.858 -2.608 240 H GLN 32 HN GLN 32 1.339 20.739 -3.517 241 HA GLN 32 HA GLN 32 3.078 21.831 -2.498 242 HB2 GLN 32 2HB GLN 32 3.428 24.139 -3.153 243 HB3 GLN 32 3HB GLN 32 3.088 23.049 -4.489 244 HG2 GLN 32 2HG GLN 32 1.006 24.866 -3.248 245 HG3 GLN 32 3HG GLN 32 2.081 25.380 -4.549 246 HE21 GLN 32 1HE2 GLN 32 -1.037 24.862 -4.359 247 HE22 GLN 32 2HE2 GLN 32 -1.289 24.012 -5.850 248 H ASN 33 HN ASN 33 1.568 21.117 -0.602 249 HA ASN 33 HA ASN 33 0.912 23.465 1.138 250 HB2 ASN 33 2HB ASN 33 -0.211 20.712 0.876 251 HB3 ASN 33 3HB ASN 33 -0.133 21.383 2.495 252 HD21 ASN 33 1HD2 ASN 33 -1.105 22.483 -0.836 253 HD22 ASN 33 2HD2 ASN 33 -2.586 23.152 -0.350 254 H GLY 34 HN GLY 34 3.107 20.677 1.032 255 HA2 GLY 34 2HA GLY 34 4.872 20.134 2.411 256 HA3 GLY 34 1HA GLY 34 4.677 21.707 3.170 257 HA PRO 35 HA PRO 35 1.935 18.699 5.758 258 HB2 PRO 35 2HB PRO 35 2.418 16.024 5.646 259 HB3 PRO 35 3HB PRO 35 1.335 16.838 4.472 260 HG2 PRO 35 2HG PRO 35 4.267 16.128 4.114 261 HG3 PRO 35 3HG PRO 35 2.910 15.783 3.001 262 HD2 PRO 35 2HD PRO 35 4.551 17.962 2.704 263 HD3 PRO 35 3HD PRO 35 2.812 18.037 2.291 264 H CYS 36 HN CYS 36 2.491 17.859 7.854 265 HA CYS 36 HA CYS 36 4.725 18.717 9.099 266 HB2 CYS 36 2HB CYS 36 4.227 16.767 10.775 267 HB3 CYS 36 3HB CYS 36 2.994 17.993 10.532 268 HG CYS 36 HG CYS 36 2.251 15.339 10.765 269 H GLY 37 HN GLY 37 4.298 15.282 8.508 270 HA2 GLY 37 2HA GLY 37 6.749 14.702 7.194 271 HA3 GLY 37 1HA GLY 37 6.943 14.427 8.938 272 H ASP 38 HN ASP 38 4.076 13.602 9.341 273 HA ASP 38 HA ASP 38 4.155 10.922 8.016 274 HB2 ASP 38 2HB ASP 38 3.147 11.433 10.829 275 HB3 ASP 38 3HB ASP 38 3.736 9.939 10.117 276 H ASN 39 HN ASN 39 2.515 13.458 7.491 277 HA ASN 39 HA ASN 39 -0.129 12.067 7.640 278 HB2 ASN 39 2HB ASN 39 0.019 14.035 9.136 279 HB3 ASN 39 3HB ASN 39 0.334 15.062 7.721 280 HD21 ASN 39 1HD2 ASN 39 -1.460 15.885 6.684 281 HD22 ASN 39 2HD2 ASN 39 -3.069 15.184 6.782 282 H SER 40 HN SER 40 0.701 11.065 5.715 283 HA SER 40 HA SER 40 -0.259 12.588 3.284 284 HB2 SER 40 2HB SER 40 2.285 12.435 3.466 285 HB3 SER 40 3HB SER 40 2.088 10.680 3.274 286 HG SER 40 HG SER 40 2.300 11.189 1.267 287 H LEU 41 HN LEU 41 -0.106 10.619 1.448 288 HA LEU 41 HA LEU 41 -1.330 8.154 2.514 289 HB2 LEU 41 2HB LEU 41 -2.154 9.500 -0.048 290 HB3 LEU 41 3HB LEU 41 -2.597 7.867 0.456 291 HG LEU 41 HG LEU 41 -3.375 10.439 1.896 292 HD11 LEU 41 1HD1 LEU 41 -5.060 8.453 0.352 293 HD12 LEU 41 2HD1 LEU 41 -4.435 9.959 -0.331 294 HD13 LEU 41 3HD1 LEU 41 -5.568 10.017 1.042 295 HD21 LEU 41 1HD2 LEU 41 -4.998 8.896 3.143 296 HD22 LEU 41 2HD2 LEU 41 -3.317 8.781 3.627 297 HD23 LEU 41 3HD2 LEU 41 -4.001 7.536 2.581 298 H VAL 42 HN VAL 42 -0.499 6.296 1.360 299 HA VAL 42 HA VAL 42 1.669 6.770 -0.627 300 HB VAL 42 HB VAL 42 2.971 4.973 0.398 301 HG11 VAL 42 1HG1 VAL 42 3.506 7.286 0.860 302 HG12 VAL 42 2HG1 VAL 42 2.377 7.321 2.242 303 HG13 VAL 42 3HG1 VAL 42 3.808 6.293 2.289 304 HG21 VAL 42 1HG2 VAL 42 0.858 4.983 2.591 305 HG22 VAL 42 2HG2 VAL 42 1.559 3.621 1.659 306 HG23 VAL 42 3HG2 VAL 42 2.527 4.453 2.856 307 H ALA 43 HN ALA 43 2.055 4.777 -2.030 308 HA ALA 43 HA ALA 43 -0.669 3.826 -2.792 309 HB1 ALA 43 1HB ALA 43 -0.175 4.591 -5.096 310 HB2 ALA 43 2HB ALA 43 -0.289 5.937 -3.965 311 HB3 ALA 43 3HB ALA 43 1.302 5.378 -4.528 312 H LEU 44 HN LEU 44 -0.740 1.847 -3.487 313 HA LEU 44 HA LEU 44 1.744 0.294 -4.031 314 HB2 LEU 44 2HB LEU 44 -0.940 -0.322 -2.765 315 HB3 LEU 44 3HB LEU 44 0.035 -1.595 -3.471 316 HG LEU 44 HG LEU 44 1.822 -1.239 -1.931 317 HD11 LEU 44 1HD1 LEU 44 0.160 1.115 -0.903 318 HD12 LEU 44 2HD1 LEU 44 1.870 1.107 -1.423 319 HD13 LEU 44 3HD1 LEU 44 1.396 0.339 0.091 320 HD21 LEU 44 1HD2 LEU 44 -0.210 -2.643 -1.337 321 HD22 LEU 44 2HD2 LEU 44 -0.771 -1.275 -0.345 322 HD23 LEU 44 3HD2 LEU 44 0.744 -2.079 0.032 323 H LYS 45 HN LYS 45 1.835 0.765 -6.246 324 HA LYS 45 HA LYS 45 0.263 -1.158 -7.650 325 HB2 LYS 45 2HB LYS 45 -0.138 0.171 -9.695 326 HB3 LYS 45 3HB LYS 45 -1.174 0.499 -8.329 327 HG2 LYS 45 2HG LYS 45 -0.811 2.653 -8.523 328 HG3 LYS 45 3HG LYS 45 0.882 2.437 -8.081 329 HD2 LYS 45 2HD LYS 45 1.589 2.292 -10.331 330 HD3 LYS 45 3HD LYS 45 -0.058 2.067 -10.951 331 HE2 LYS 45 2HE LYS 45 0.685 4.552 -9.411 332 HE3 LYS 45 3HE LYS 45 1.084 4.416 -11.127 333 HZ1 LYS 45 1HZ LYS 45 -1.142 4.309 -11.709 334 HZ2 LYS 45 2HZ LYS 45 -1.115 5.457 -10.508 335 HZ3 LYS 45 3HZ LYS 45 -1.655 3.956 -10.179 336 H LEU 46 HN LEU 46 2.043 -2.340 -7.581 337 HA LEU 46 HA LEU 46 4.416 -1.430 -9.122 338 HB2 LEU 46 2HB LEU 46 4.513 -3.512 -6.925 339 HB3 LEU 46 3HB LEU 46 5.843 -2.727 -7.764 340 HG LEU 46 HG LEU 46 4.104 -1.579 -5.569 341 HD11 LEU 46 1HD1 LEU 46 6.119 -2.817 -4.888 342 HD12 LEU 46 2HD1 LEU 46 6.272 -1.112 -4.513 343 HD13 LEU 46 3HD1 LEU 46 7.131 -1.764 -5.919 344 HD21 LEU 46 1HD2 LEU 46 5.678 0.510 -6.000 345 HD22 LEU 46 2HD2 LEU 46 4.113 0.343 -6.767 346 HD23 LEU 46 3HD2 LEU 46 5.563 -0.114 -7.676 347 H LEU 47 HN LEU 47 5.350 -4.305 -8.919 348 HA LEU 47 HA LEU 47 3.790 -5.301 -11.210 349 HB2 LEU 47 2HB LEU 47 6.269 -4.485 -11.562 350 HB3 LEU 47 3HB LEU 47 6.686 -6.030 -10.826 351 HG LEU 47 HG LEU 47 4.785 -6.821 -12.690 352 HD11 LEU 47 1HD1 LEU 47 5.082 -5.582 -14.756 353 HD12 LEU 47 2HD1 LEU 47 6.250 -4.484 -13.989 354 HD13 LEU 47 3HD1 LEU 47 4.556 -4.459 -13.487 355 HD21 LEU 47 1HD2 LEU 47 7.027 -7.795 -12.456 356 HD22 LEU 47 2HD2 LEU 47 7.731 -6.389 -13.279 357 HD23 LEU 47 3HD2 LEU 47 6.629 -7.484 -14.151 358 H SER 48 HN SER 48 5.359 -7.818 -11.071 359 HA SER 48 HA SER 48 3.776 -9.592 -9.728 360 HB2 SER 48 2HB SER 48 5.202 -10.795 -10.977 361 HB3 SER 48 3HB SER 48 6.419 -9.460 -10.981 362 HG SER 48 HG SER 48 7.088 -11.560 -10.106 363 HA PRO 49 HA PRO 49 4.191 -11.590 -8.858 364 HB2 PRO 49 2HB PRO 49 3.621 -13.239 -6.805 365 HB3 PRO 49 3HB PRO 49 5.310 -13.006 -7.357 366 HG2 PRO 49 2HG PRO 49 3.867 -11.672 -5.072 367 HG3 PRO 49 3HG PRO 49 5.495 -12.427 -5.027 368 HD2 PRO 49 2HD PRO 49 5.072 -9.704 -5.344 369 HD3 PRO 49 3HD PRO 49 6.461 -10.565 -6.075 370 H ASP 50 HN ASP 50 1.963 -12.138 -9.081 371 HA ASP 50 HA ASP 50 -0.022 -11.007 -7.252 372 HB2 ASP 50 2HB ASP 50 -1.146 -9.684 -8.853 373 HB3 ASP 50 3HB ASP 50 0.509 -9.145 -8.758 374 H GLY 51 HN GLY 51 -2.012 -11.968 -7.339 375 HA2 GLY 51 2HA GLY 51 -2.770 -14.018 -9.197 376 HA3 GLY 51 1HA GLY 51 -1.977 -14.714 -7.782 377 H ASP 52 HN ASP 52 -4.681 -15.052 -8.517 378 HA ASP 52 HA ASP 52 -6.661 -13.560 -7.271 379 HB2 ASP 52 2HB ASP 52 -6.468 -16.569 -7.641 380 HB3 ASP 52 3HB ASP 52 -7.918 -15.729 -7.119 381 H ASN 53 HN ASN 53 -4.605 -16.151 -5.893 382 HA ASN 53 HA ASN 53 -5.982 -16.522 -3.475 383 HB2 ASN 53 2HB ASN 53 -3.931 -17.849 -4.345 384 HB3 ASN 53 3HB ASN 53 -2.932 -16.632 -3.582 385 HD21 ASN 53 1HD2 ASN 53 -2.618 -16.769 -1.237 386 HD22 ASN 53 2HD2 ASN 53 -3.583 -17.812 -0.249 387 H ALA 54 HN ALA 54 -3.268 -14.405 -4.198 388 HA ALA 54 HA ALA 54 -2.946 -13.193 -1.649 389 HB1 ALA 54 1HB ALA 54 -1.217 -13.431 -3.422 390 HB2 ALA 54 2HB ALA 54 -2.106 -12.273 -4.435 391 HB3 ALA 54 3HB ALA 54 -1.407 -11.744 -2.891 392 H TRP 55 HN TRP 55 -4.674 -12.216 -4.628 393 HA TRP 55 HA TRP 55 -5.786 -9.728 -3.952 394 HB2 TRP 55 2HB TRP 55 -6.290 -11.900 -5.825 395 HB3 TRP 55 3HB TRP 55 -7.823 -11.370 -5.152 396 HD1 TRP 55 1HD TRP 55 -6.276 -10.922 -8.188 397 HE1 TRP 55 1HE TRP 55 -6.764 -8.653 -9.242 398 HE3 TRP 55 3HE TRP 55 -7.928 -8.491 -4.043 399 HZ2 TRP 55 2HZ TRP 55 -7.816 -6.050 -8.360 400 HZ3 TRP 55 3HZ TRP 55 -8.668 -6.152 -4.156 401 HH2 TRP 55 2HH TRP 55 -8.591 -4.912 -6.278 402 H SER 56 HN SER 56 -7.228 -12.961 -3.188 403 HA SER 56 HA SER 56 -9.328 -11.828 -1.577 404 HB2 SER 56 2HB SER 56 -9.333 -14.072 -2.663 405 HB3 SER 56 3HB SER 56 -8.221 -14.642 -1.416 406 HG SER 56 HG SER 56 -10.814 -14.595 -1.331 407 H VAL 57 HN VAL 57 -6.256 -13.451 -0.461 408 HA VAL 57 HA VAL 57 -6.663 -13.013 2.256 409 HB VAL 57 HB VAL 57 -3.991 -12.828 0.759 410 HG11 VAL 57 1HG1 VAL 57 -4.543 -13.494 3.703 411 HG12 VAL 57 2HG1 VAL 57 -2.969 -13.595 2.894 412 HG13 VAL 57 3HG1 VAL 57 -3.750 -12.026 3.090 413 HG21 VAL 57 1HG2 VAL 57 -5.125 -15.278 2.197 414 HG22 VAL 57 2HG2 VAL 57 -5.259 -15.035 0.458 415 HG23 VAL 57 3HG2 VAL 57 -3.671 -15.169 1.200 416 H MET 58 HN MET 58 -5.107 -10.760 -0.064 417 HA MET 58 HA MET 58 -4.556 -8.643 1.638 418 HB2 MET 58 2HB MET 58 -3.707 -8.898 -0.613 419 HB3 MET 58 3HB MET 58 -5.315 -8.700 -1.307 420 HG2 MET 58 2HG MET 58 -5.361 -6.365 -0.613 421 HG3 MET 58 3HG MET 58 -3.887 -6.574 0.318 422 HE1 MET 58 1HE MET 58 -5.487 -6.020 -3.134 423 HE2 MET 58 2HE MET 58 -4.184 -6.401 -4.283 424 HE3 MET 58 3HE MET 58 -4.969 -7.697 -3.348 425 H TYR 59 HN TYR 59 -7.649 -9.246 -0.229 426 HA TYR 59 HA TYR 59 -8.698 -6.763 0.560 427 HB2 TYR 59 2HB TYR 59 -9.663 -8.177 -1.299 428 HB3 TYR 59 3HB TYR 59 -10.358 -9.241 -0.094 429 HD1 TYR 59 1HD TYR 59 -10.130 -5.517 -0.631 430 HD2 TYR 59 2HD TYR 59 -12.735 -8.839 0.195 431 HE1 TYR 59 1HE TYR 59 -12.041 -3.963 -0.487 432 HE2 TYR 59 2HE TYR 59 -14.668 -7.300 0.266 433 HH TYR 59 HH TYR 59 -15.344 -4.975 -0.467 434 H LYS 60 HN LYS 60 -9.121 -10.067 1.984 435 HA LYS 60 HA LYS 60 -11.022 -9.269 3.941 436 HB2 LYS 60 2HB LYS 60 -9.054 -11.552 4.308 437 HB3 LYS 60 3HB LYS 60 -10.683 -11.361 4.947 438 HG2 LYS 60 2HG LYS 60 -11.399 -11.443 2.387 439 HG3 LYS 60 3HG LYS 60 -9.805 -12.139 2.200 440 HD2 LYS 60 2HD LYS 60 -12.017 -13.340 3.844 441 HD3 LYS 60 3HD LYS 60 -11.295 -13.906 2.310 442 HE2 LYS 60 2HE LYS 60 -9.057 -13.947 3.555 443 HE3 LYS 60 3HE LYS 60 -9.996 -13.780 5.047 444 HZ1 LYS 60 1HZ LYS 60 -9.530 -16.049 4.574 445 HZ2 LYS 60 2HZ LYS 60 -10.246 -15.971 3.084 446 HZ3 LYS 60 3HZ LYS 60 -11.154 -15.800 4.453 447 H LEU 61 HN LEU 61 -7.428 -9.533 4.027 448 HA LEU 61 HA LEU 61 -7.250 -8.851 6.810 449 HB2 LEU 61 2HB LEU 61 -5.262 -9.083 4.543 450 HB3 LEU 61 3HB LEU 61 -4.826 -8.166 5.978 451 HG LEU 61 HG LEU 61 -5.426 -10.079 7.430 452 HD11 LEU 61 1HD1 LEU 61 -5.600 -12.339 6.556 453 HD12 LEU 61 2HD1 LEU 61 -5.530 -11.730 4.885 454 HD13 LEU 61 3HD1 LEU 61 -6.923 -11.351 5.909 455 HD21 LEU 61 1HD2 LEU 61 -3.103 -9.613 6.710 456 HD22 LEU 61 2HD2 LEU 61 -3.318 -10.737 5.342 457 HD23 LEU 61 3HD2 LEU 61 -3.383 -11.319 7.023 458 H SER 62 HN SER 62 -7.010 -6.861 3.790 459 HA SER 62 HA SER 62 -6.429 -4.417 5.005 460 HB2 SER 62 2HB SER 62 -8.085 -5.118 2.554 461 HB3 SER 62 3HB SER 62 -7.800 -3.447 3.048 462 HG SER 62 HG SER 62 -5.566 -3.811 2.892 463 H GLN 63 HN GLN 63 -9.753 -5.833 4.446 464 HA GLN 63 HA GLN 63 -11.079 -3.745 5.892 465 HB2 GLN 63 2HB GLN 63 -11.869 -6.637 5.332 466 HB3 GLN 63 3HB GLN 63 -12.862 -5.511 6.263 467 HG2 GLN 63 2HG GLN 63 -12.650 -3.912 4.245 468 HG3 GLN 63 3HG GLN 63 -12.109 -5.327 3.331 469 HE21 GLN 63 1HE2 GLN 63 -13.800 -6.568 2.403 470 HE22 GLN 63 2HE2 GLN 63 -15.457 -6.568 2.989 471 H ALA 64 HN ALA 64 -9.979 -6.974 6.966 472 HA ALA 64 HA ALA 64 -10.903 -6.754 9.612 473 HB1 ALA 64 1HB ALA 64 -10.245 -8.881 8.543 474 HB2 ALA 64 2HB ALA 64 -8.538 -8.373 8.581 475 HB3 ALA 64 3HB ALA 64 -9.410 -8.655 10.093 476 H LEU 65 HN LEU 65 -8.094 -5.222 8.245 477 HA LEU 65 HA LEU 65 -6.972 -4.588 10.920 478 HB2 LEU 65 2HB LEU 65 -5.979 -4.158 8.085 479 HB3 LEU 65 3HB LEU 65 -5.114 -3.584 9.495 480 HG LEU 65 HG LEU 65 -5.804 -6.541 9.213 481 HD11 LEU 65 1HD1 LEU 65 -3.227 -5.156 8.368 482 HD12 LEU 65 2HD1 LEU 65 -4.440 -5.856 7.287 483 HD13 LEU 65 3HD1 LEU 65 -3.535 -6.906 8.394 484 HD21 LEU 65 1HD2 LEU 65 -3.979 -6.780 10.850 485 HD22 LEU 65 2HD2 LEU 65 -5.279 -5.786 11.486 486 HD23 LEU 65 3HD2 LEU 65 -3.776 -5.013 10.899 487 H SER 66 HN SER 66 -8.537 -3.045 8.073 488 HA SER 66 HA SER 66 -8.018 -0.400 8.940 489 HB2 SER 66 2HB SER 66 -9.758 0.252 7.328 490 HB3 SER 66 3HB SER 66 -8.617 -0.905 6.620 491 HG SER 66 HG SER 66 -11.269 -0.981 6.906 492 H ASP 67 HN ASP 67 -10.591 -2.677 9.475 493 HA ASP 67 HA ASP 67 -12.449 -1.371 11.051 494 HB2 ASP 67 2HB ASP 67 -12.407 -3.710 10.116 495 HB3 ASP 67 3HB ASP 67 -11.338 -4.186 11.431 496 H ILE 68 HN ILE 68 -9.123 -1.921 11.893 497 HA ILE 68 HA ILE 68 -9.665 -1.744 14.758 498 HB ILE 68 HB ILE 68 -7.035 -2.622 13.589 499 HG12 ILE 68 2HG1 ILE 68 -8.593 -4.020 12.382 500 HG13 ILE 68 3HG1 ILE 68 -7.627 -4.921 13.525 501 HG21 ILE 68 1HG2 ILE 68 -7.101 -2.278 15.939 502 HG22 ILE 68 2HG2 ILE 68 -8.582 -3.187 16.125 503 HG23 ILE 68 3HG2 ILE 68 -7.081 -4.021 15.676 504 HD11 ILE 68 1HD1 ILE 68 -9.815 -5.816 13.621 505 HD12 ILE 68 2HD1 ILE 68 -9.634 -4.901 15.110 506 HD13 ILE 68 3HD1 ILE 68 -10.579 -4.221 13.785 507 H GLU 69 HN GLU 69 -7.014 -0.689 12.431 508 HA GLU 69 HA GLU 69 -6.912 1.928 13.762 509 HB2 GLU 69 2HB GLU 69 -4.571 -0.020 13.884 510 HB3 GLU 69 3HB GLU 69 -4.545 1.696 14.324 511 HG2 GLU 69 2HG GLU 69 -6.352 1.172 16.028 512 HG3 GLU 69 3HG GLU 69 -6.055 -0.528 15.659 513 H VAL 70 HN VAL 70 -6.115 -0.198 11.182 514 HA VAL 70 HA VAL 70 -4.376 1.865 9.942 515 HB VAL 70 HB VAL 70 -4.218 -1.153 9.664 516 HG11 VAL 70 1HG1 VAL 70 -2.125 -0.791 8.463 517 HG12 VAL 70 2HG1 VAL 70 -3.359 0.146 7.616 518 HG13 VAL 70 3HG1 VAL 70 -2.234 0.947 8.727 519 HG21 VAL 70 1HG2 VAL 70 -2.037 -0.797 10.876 520 HG22 VAL 70 2HG2 VAL 70 -2.470 0.902 11.095 521 HG23 VAL 70 3HG2 VAL 70 -3.425 -0.360 11.887 522 HA PRO 71 HA PRO 71 -8.089 1.342 7.409 523 HB2 PRO 71 2HB PRO 71 -8.669 3.856 6.661 524 HB3 PRO 71 3HB PRO 71 -9.106 3.164 8.254 525 HG2 PRO 71 2HG PRO 71 -6.717 4.920 7.616 526 HG3 PRO 71 3HG PRO 71 -7.839 5.043 9.000 527 HD2 PRO 71 2HD PRO 71 -5.412 3.792 9.191 528 HD3 PRO 71 3HD PRO 71 -6.864 3.204 10.063 529 H CYS 72 HN CYS 72 -7.370 0.297 5.866 530 HA CYS 72 HA CYS 72 -5.603 1.232 3.706 531 HB2 CYS 72 2HB CYS 72 -7.078 -1.397 4.258 532 HB3 CYS 72 3HB CYS 72 -5.911 -1.167 2.960 533 HG CYS 72 HG CYS 72 -5.403 -0.756 6.236 534 H SER 73 HN SER 73 -6.334 0.997 1.427 535 HA SER 73 HA SER 73 -9.242 0.816 0.968 536 HB2 SER 73 2HB SER 73 -8.125 3.255 1.174 537 HB3 SER 73 3HB SER 73 -7.761 2.935 -0.533 538 HG SER 73 HG SER 73 -9.825 4.007 0.011 539 H VAL 74 HN VAL 74 -9.169 -1.027 -0.177 540 HA VAL 74 HA VAL 74 -7.128 -1.599 -2.206 541 HB VAL 74 HB VAL 74 -9.777 -2.907 -1.510 542 HG11 VAL 74 1HG1 VAL 74 -7.354 -4.377 -2.655 543 HG12 VAL 74 2HG1 VAL 74 -8.988 -4.952 -2.429 544 HG13 VAL 74 3HG1 VAL 74 -8.659 -3.718 -3.646 545 HG21 VAL 74 1HG2 VAL 74 -7.014 -3.309 -0.235 546 HG22 VAL 74 2HG2 VAL 74 -8.520 -2.877 0.580 547 HG23 VAL 74 3HG2 VAL 74 -8.300 -4.504 -0.059 548 H LEU 75 HN LEU 75 -7.494 -1.286 -4.478 549 HA LEU 75 HA LEU 75 -10.232 -0.923 -5.454 550 HB2 LEU 75 2HB LEU 75 -7.952 0.937 -6.208 551 HB3 LEU 75 3HB LEU 75 -9.491 0.869 -7.037 552 HG LEU 75 HG LEU 75 -9.053 1.791 -4.180 553 HD11 LEU 75 1HD1 LEU 75 -9.730 3.999 -5.058 554 HD12 LEU 75 2HD1 LEU 75 -9.889 3.320 -6.692 555 HD13 LEU 75 3HD1 LEU 75 -8.299 3.405 -5.916 556 HD21 LEU 75 1HD2 LEU 75 -11.605 1.746 -5.857 557 HD22 LEU 75 2HD2 LEU 75 -11.427 2.477 -4.244 558 HD23 LEU 75 3HD2 LEU 75 -11.302 0.729 -4.433 559 H GLU 76 HN GLU 76 -10.171 -0.992 -7.933 560 HA GLU 76 HA GLU 76 -8.136 -2.667 -9.178 561 HB2 GLU 76 2HB GLU 76 -9.761 -4.439 -9.740 562 HB3 GLU 76 3HB GLU 76 -9.613 -4.285 -8.001 563 HG2 GLU 76 2HG GLU 76 -11.734 -2.743 -8.191 564 HG3 GLU 76 3HG GLU 76 -11.925 -3.518 -9.768 565 H CYS 77 HN CYS 77 -8.329 -2.521 -11.408 566 HA CYS 77 HA CYS 77 -10.426 -1.931 -13.051 567 HB2 CYS 77 2HB CYS 77 -8.982 0.558 -12.123 568 HB3 CYS 77 3HB CYS 77 -9.195 0.367 -13.859 569 HG CYS 77 HG CYS 77 -11.057 1.952 -12.980 570 H GLU 78 HN GLU 78 -9.602 -1.891 -15.277 571 HA GLU 78 HA GLU 78 -8.261 -2.463 -16.977 572 HB2 GLU 78 2HB GLU 78 -7.508 -0.091 -15.812 573 HB3 GLU 78 3HB GLU 78 -5.963 -0.927 -15.873 574 HG2 GLU 78 2HG GLU 78 -6.212 -1.255 -18.299 575 HG3 GLU 78 3HG GLU 78 -7.820 -0.524 -18.256 576 H GLY 79 HN GLY 79 -7.741 -4.128 -14.357 577 HA2 GLY 79 2HA GLY 79 -6.503 -6.043 -13.910 578 HA3 GLY 79 1HA GLY 79 -5.588 -5.795 -15.399 579 H GLU 80 HN GLU 80 -5.844 -3.025 -13.307 580 HA GLU 80 HA GLU 80 -3.092 -3.383 -12.243 581 HB2 GLU 80 2HB GLU 80 -3.506 -1.448 -13.809 582 HB3 GLU 80 3HB GLU 80 -4.720 -0.854 -12.695 583 HG2 GLU 80 2HG GLU 80 -2.951 0.350 -11.913 584 HG3 GLU 80 3HG GLU 80 -2.692 -1.075 -10.913 585 HA PRO 81 HA PRO 81 -6.009 -3.812 -8.619 586 HB2 PRO 81 2HB PRO 81 -4.424 -5.502 -7.165 587 HB3 PRO 81 3HB PRO 81 -5.513 -6.106 -8.452 588 HG2 PRO 81 2HG PRO 81 -2.570 -5.533 -8.673 589 HG3 PRO 81 3HG PRO 81 -3.454 -7.001 -9.193 590 HD2 PRO 81 2HD PRO 81 -2.831 -5.004 -10.924 591 HD3 PRO 81 3HD PRO 81 -4.385 -5.882 -11.050 592 H CYS 82 HN CYS 82 -5.705 -2.216 -6.970 593 HA CYS 82 HA CYS 82 -2.931 -1.609 -6.270 594 HB2 CYS 82 2HB CYS 82 -3.279 0.848 -6.610 595 HB3 CYS 82 3HB CYS 82 -3.248 -0.116 -8.099 596 HG CYS 82 HG CYS 82 -5.019 1.549 -8.642 597 H LEU 83 HN LEU 83 -2.708 -0.315 -4.380 598 HA LEU 83 HA LEU 83 -5.066 -0.335 -2.546 599 HB2 LEU 83 2HB LEU 83 -2.521 -1.886 -2.315 600 HB3 LEU 83 3HB LEU 83 -2.893 -0.876 -0.931 601 HG LEU 83 HG LEU 83 -5.127 -1.984 -0.737 602 HD11 LEU 83 1HD1 LEU 83 -5.340 -4.245 -1.826 603 HD12 LEU 83 2HD1 LEU 83 -4.025 -3.780 -2.927 604 HD13 LEU 83 3HD1 LEU 83 -5.552 -2.886 -2.904 605 HD21 LEU 83 1HD2 LEU 83 -2.709 -3.847 -0.638 606 HD22 LEU 83 2HD2 LEU 83 -4.215 -4.015 0.291 607 HD23 LEU 83 3HD2 LEU 83 -3.127 -2.661 0.603 608 H PHE 84 HN PHE 84 -4.857 1.169 -0.859 609 HA PHE 84 HA PHE 84 -2.871 3.355 -1.197 610 HB2 PHE 84 2HB PHE 84 -5.882 3.753 -0.977 611 HB3 PHE 84 3HB PHE 84 -4.666 5.007 -1.085 612 HD1 PHE 84 1HD PHE 84 -4.059 5.872 -3.238 613 HD2 PHE 84 2HD PHE 84 -6.191 2.147 -3.012 614 HE1 PHE 84 1HE PHE 84 -4.177 5.771 -5.714 615 HE2 PHE 84 2HE PHE 84 -6.272 2.031 -5.433 616 HZ PHE 84 HZ PHE 84 -5.278 3.836 -6.829 617 H VAL 85 HN VAL 85 -2.135 3.997 0.783 618 HA VAL 85 HA VAL 85 -3.625 3.369 3.237 619 HB VAL 85 HB VAL 85 -1.136 2.654 4.019 620 HG11 VAL 85 1HG1 VAL 85 -3.191 1.391 4.512 621 HG12 VAL 85 2HG1 VAL 85 -3.215 0.758 2.864 622 HG13 VAL 85 3HG1 VAL 85 -1.911 0.298 3.974 623 HG21 VAL 85 1HG2 VAL 85 -0.310 2.682 1.626 624 HG22 VAL 85 2HG2 VAL 85 0.009 1.215 2.560 625 HG23 VAL 85 3HG2 VAL 85 -1.295 1.233 1.357 626 H ASN 86 HN ASN 86 -2.143 4.426 5.178 627 HA ASN 86 HA ASN 86 -2.265 7.200 4.312 628 HB2 ASN 86 2HB ASN 86 -1.964 5.847 7.026 629 HB3 ASN 86 3HB ASN 86 -1.859 7.579 6.789 630 HD21 ASN 86 1HD2 ASN 86 -3.979 4.746 6.607 631 HD22 ASN 86 2HD2 ASN 86 -5.445 5.652 6.224 632 H ARG 87 HN ARG 87 -0.099 5.975 6.630 633 HA ARG 87 HA ARG 87 2.206 6.360 4.806 634 HB2 ARG 87 2HB ARG 87 1.885 8.566 6.061 635 HB3 ARG 87 3HB ARG 87 2.271 7.713 7.552 636 HG2 ARG 87 2HG ARG 87 4.380 8.417 6.995 637 HG3 ARG 87 3HG ARG 87 4.392 6.894 6.116 638 HD2 ARG 87 2HD ARG 87 5.071 8.276 4.396 639 HD3 ARG 87 3HD ARG 87 3.327 8.460 4.163 640 HE ARG 87 HE ARG 87 4.337 10.294 6.108 641 HH11 ARG 87 1HH1 ARG 87 4.497 9.876 2.533 642 HH12 ARG 87 2HH1 ARG 87 4.847 11.537 2.267 643 HH21 ARG 87 1HH2 ARG 87 5.151 12.312 5.664 644 HH22 ARG 87 2HH2 ARG 87 5.155 12.990 4.086 645 H GLN 88 HN GLN 88 2.036 5.821 8.288 646 HA GLN 88 HA GLN 88 4.185 3.816 7.971 647 HB2 GLN 88 2HB GLN 88 3.816 3.362 10.450 648 HB3 GLN 88 3HB GLN 88 4.495 4.909 9.988 649 HG2 GLN 88 2HG GLN 88 1.503 4.627 10.380 650 HG3 GLN 88 3HG GLN 88 2.548 4.696 11.760 651 HE21 GLN 88 1HE2 GLN 88 0.660 6.671 9.956 652 HE22 GLN 88 2HE2 GLN 88 1.537 8.181 10.085 653 H ASP 89 HN ASP 89 0.815 3.715 7.930 654 HA ASP 89 HA ASP 89 -0.001 1.153 8.423 655 HB2 ASP 89 2HB ASP 89 -0.354 2.834 5.917 656 HB3 ASP 89 3HB ASP 89 -1.274 1.376 6.224 657 H GLU 90 HN GLU 90 2.169 2.363 5.813 658 HA GLU 90 HA GLU 90 2.144 0.135 4.171 659 HB2 GLU 90 2HB GLU 90 4.222 1.033 3.200 660 HB3 GLU 90 3HB GLU 90 3.087 2.330 3.540 661 HG2 GLU 90 2HG GLU 90 4.450 2.565 5.806 662 HG3 GLU 90 3HG GLU 90 5.652 1.625 5.005 663 H PHE 91 HN PHE 91 4.160 0.927 6.956 664 HA PHE 91 HA PHE 91 5.871 -1.369 6.823 665 HB2 PHE 91 2HB PHE 91 6.665 0.668 7.796 666 HB3 PHE 91 3HB PHE 91 5.380 0.721 9.001 667 HD1 PHE 91 1HD PHE 91 5.426 -1.468 10.679 668 HD2 PHE 91 2HD PHE 91 8.801 0.103 8.465 669 HE1 PHE 91 1HE PHE 91 6.969 -2.512 12.276 670 HE2 PHE 91 2HE PHE 91 10.306 -0.910 10.059 671 HZ PHE 91 HZ PHE 91 9.436 -2.242 11.996 672 H ALA 92 HN ALA 92 3.275 -0.325 8.885 673 HA ALA 92 HA ALA 92 2.929 -2.541 10.545 674 HB1 ALA 92 1HB ALA 92 1.642 -0.454 10.818 675 HB2 ALA 92 2HB ALA 92 0.713 -0.817 9.350 676 HB3 ALA 92 3HB ALA 92 0.590 -1.880 10.759 677 H ALA 93 HN ALA 93 1.357 -1.982 7.366 678 HA ALA 93 HA ALA 93 -0.096 -4.398 7.163 679 HB1 ALA 93 1HB ALA 93 1.054 -2.521 5.040 680 HB2 ALA 93 2HB ALA 93 -0.085 -3.841 4.724 681 HB3 ALA 93 3HB ALA 93 -0.572 -2.470 5.744 682 H THR 94 HN THR 94 3.056 -3.574 5.481 683 HA THR 94 HA THR 94 3.396 -6.243 4.726 684 HB THR 94 HB THR 94 4.578 -4.330 3.711 685 HG1 THR 94 1HG THR 94 6.466 -5.299 3.346 686 HG21 THR 94 1HG2 THR 94 6.479 -4.488 6.061 687 HG22 THR 94 2HG2 THR 94 5.251 -3.244 5.905 688 HG23 THR 94 3HG2 THR 94 6.519 -3.333 4.698 689 H CYS 95 HN CYS 95 4.450 -4.727 7.764 690 HA CYS 95 HA CYS 95 6.050 -6.771 8.793 691 HB2 CYS 95 2HB CYS 95 5.719 -4.528 9.840 692 HB3 CYS 95 3HB CYS 95 4.098 -5.022 10.342 693 HG CYS 95 HG CYS 95 7.082 -6.080 11.218 694 H ARG 96 HN ARG 96 2.476 -6.375 9.150 695 HA ARG 96 HA ARG 96 2.180 -8.913 10.561 696 HB2 ARG 96 2HB ARG 96 0.157 -7.125 9.114 697 HB3 ARG 96 3HB ARG 96 -0.227 -8.501 10.148 698 HG2 ARG 96 2HG ARG 96 0.818 -7.329 12.096 699 HG3 ARG 96 3HG ARG 96 1.159 -5.943 11.059 700 HD2 ARG 96 2HD ARG 96 -1.567 -6.494 10.611 701 HD3 ARG 96 3HD ARG 96 -1.363 -6.728 12.354 702 HE ARG 96 HE ARG 96 -1.220 -4.304 10.738 703 HH11 ARG 96 1HH1 ARG 96 -0.293 -5.544 13.981 704 HH12 ARG 96 2HH1 ARG 96 -0.259 -3.935 14.649 705 HH21 ARG 96 1HH2 ARG 96 -1.218 -2.325 11.697 706 HH22 ARG 96 2HH2 ARG 96 -0.634 -2.050 13.292 707 H LEU 97 HN LEU 97 1.567 -7.842 7.166 708 HA LEU 97 HA LEU 97 0.496 -10.293 6.300 709 HB2 LEU 97 2HB LEU 97 1.945 -8.075 4.787 710 HB3 LEU 97 3HB LEU 97 1.487 -9.542 4.003 711 HG LEU 97 HG LEU 97 -0.171 -7.648 3.784 712 HD11 LEU 97 1HD1 LEU 97 -2.078 -9.265 3.813 713 HD12 LEU 97 2HD1 LEU 97 -1.059 -10.413 4.701 714 HD13 LEU 97 3HD1 LEU 97 -0.635 -9.900 3.048 715 HD21 LEU 97 1HD2 LEU 97 -0.553 -6.916 6.096 716 HD22 LEU 97 2HD2 LEU 97 -1.063 -8.542 6.576 717 HD23 LEU 97 3HD2 LEU 97 -2.030 -7.599 5.434 718 H LYS 98 HN LYS 98 3.946 -9.335 6.589 719 HA LYS 98 HA LYS 98 4.944 -11.663 5.325 720 HB2 LYS 98 2HB LYS 98 6.079 -9.593 7.141 721 HB3 LYS 98 3HB LYS 98 6.835 -11.170 7.279 722 HG2 LYS 98 2HG LYS 98 8.089 -10.748 5.487 723 HG3 LYS 98 3HG LYS 98 6.637 -10.689 4.476 724 HD2 LYS 98 2HD LYS 98 6.324 -8.340 5.158 725 HD3 LYS 98 3HD LYS 98 7.863 -8.358 6.021 726 HE2 LYS 98 2HE LYS 98 7.715 -9.223 3.130 727 HE3 LYS 98 3HE LYS 98 7.534 -7.518 3.480 728 HZ1 LYS 98 1HZ LYS 98 9.818 -7.978 4.729 729 HZ2 LYS 98 2HZ LYS 98 9.822 -7.823 3.097 730 HZ3 LYS 98 3HZ LYS 98 9.823 -9.313 3.789 731 H ASN 99 HN ASN 99 3.715 -11.351 8.641 732 HA ASN 99 HA ASN 99 4.674 -14.051 9.219 733 HB2 ASN 99 2HB ASN 99 3.832 -14.121 11.275 734 HB3 ASN 99 3HB ASN 99 4.523 -12.502 11.035 735 HD21 ASN 99 1HD2 ASN 99 3.292 -10.759 11.524 736 HD22 ASN 99 2HD2 ASN 99 1.540 -10.921 11.420 737 H PHE 100 HN PHE 100 1.877 -12.736 7.691 738 HA PHE 100 HA PHE 100 0.273 -15.191 7.927 739 HB2 PHE 100 2HB PHE 100 -0.071 -12.473 6.694 740 HB3 PHE 100 3HB PHE 100 -0.877 -13.799 5.893 741 HD1 PHE 100 1HD PHE 100 -0.510 -12.273 9.340 742 HD2 PHE 100 2HD PHE 100 -2.996 -14.451 6.568 743 HE1 PHE 100 1HE PHE 100 -2.384 -12.203 10.949 744 HE2 PHE 100 2HE PHE 100 -4.861 -14.408 8.186 745 HZ PHE 100 HZ PHE 100 -4.554 -13.325 10.409 746 H GLY 101 HN GLY 101 2.386 -13.699 5.559 747 HA2 GLY 101 2HA GLY 101 4.200 -15.275 4.856 748 HA3 GLY 101 1HA GLY 101 2.964 -16.491 4.593 749 H VAL 102 HN VAL 102 2.775 -12.978 3.692 750 HA VAL 102 HA VAL 102 1.747 -13.920 1.079 751 HB VAL 102 HB VAL 102 1.133 -11.290 2.426 752 HG11 VAL 102 1HG1 VAL 102 0.228 -11.774 0.128 753 HG12 VAL 102 2HG1 VAL 102 -0.459 -13.314 0.748 754 HG13 VAL 102 3HG1 VAL 102 -1.026 -11.695 1.340 755 HG21 VAL 102 1HG2 VAL 102 0.644 -12.834 4.240 756 HG22 VAL 102 2HG2 VAL 102 -0.843 -12.410 3.481 757 HG23 VAL 102 3HG2 VAL 102 -0.116 -13.976 3.122 758 H ALA 103 HN ALA 103 1.881 -12.149 -0.686 759 HA ALA 103 HA ALA 103 4.632 -11.059 -0.927 760 HB1 ALA 103 1HB ALA 103 2.217 -10.903 -2.787 761 HB2 ALA 103 2HB ALA 103 3.859 -10.350 -3.141 762 HB3 ALA 103 3HB ALA 103 3.541 -12.090 -2.895 763 H ILE 104 HN ILE 104 4.902 -8.677 -1.294 764 HA ILE 104 HA ILE 104 2.652 -6.946 -0.738 765 HB ILE 104 HB ILE 104 4.432 -5.562 0.669 766 HG12 ILE 104 2HG1 ILE 104 6.113 -7.577 0.317 767 HG13 ILE 104 3HG1 ILE 104 6.131 -6.584 1.735 768 HG21 ILE 104 1HG2 ILE 104 3.407 -6.254 2.699 769 HG22 ILE 104 2HG2 ILE 104 2.242 -6.082 1.421 770 HG23 ILE 104 3HG2 ILE 104 2.706 -7.707 1.937 771 HD11 ILE 104 1HD1 ILE 104 6.164 -9.134 2.116 772 HD12 ILE 104 2HD1 ILE 104 4.911 -8.235 3.051 773 HD13 ILE 104 3HD1 ILE 104 4.513 -9.148 1.595 774 H ALA 105 HN ALA 105 3.096 -4.824 -1.335 775 HA ALA 105 HA ALA 105 5.405 -4.372 -3.129 776 HB1 ALA 105 1HB ALA 105 3.410 -5.325 -4.317 777 HB2 ALA 105 2HB ALA 105 2.440 -3.969 -3.694 778 HB3 ALA 105 3HB ALA 105 3.786 -3.689 -4.844 779 H GLU 106 HN GLU 106 5.248 -3.321 -0.564 780 HA GLU 106 HA GLU 106 4.798 -0.442 -1.038 781 HB2 GLU 106 2HB GLU 106 3.902 -0.306 1.260 782 HB3 GLU 106 3HB GLU 106 2.925 -1.265 0.152 783 HG2 GLU 106 2HG GLU 106 4.109 -3.339 1.158 784 HG3 GLU 106 3HG GLU 106 4.567 -2.262 2.476 785 HA PRO 107 HA PRO 107 8.904 -0.498 0.817 786 HB2 PRO 107 2HB PRO 107 9.368 2.143 1.204 787 HB3 PRO 107 3HB PRO 107 9.215 1.470 -0.448 788 HG2 PRO 107 2HG PRO 107 7.107 2.910 1.193 789 HG3 PRO 107 3HG PRO 107 7.531 3.149 -0.531 790 HD2 PRO 107 2HD PRO 107 5.430 1.559 0.359 791 HD3 PRO 107 3HD PRO 107 6.294 1.294 -1.190 792 H PHE 108 HN PHE 108 9.944 -0.078 2.932 793 HA PHE 108 HA PHE 108 8.722 1.543 4.876 794 HB2 PHE 108 2HB PHE 108 8.170 -0.016 6.528 795 HB3 PHE 108 3HB PHE 108 7.216 -0.403 5.146 796 HD1 PHE 108 1HD PHE 108 7.630 -2.056 7.513 797 HD2 PHE 108 2HD PHE 108 9.741 -2.020 3.772 798 HE1 PHE 108 1HE PHE 108 8.482 -4.333 7.967 799 HE2 PHE 108 2HE PHE 108 10.445 -4.364 4.117 800 HZ PHE 108 HZ PHE 108 9.855 -5.537 6.238 801 H SER 109 HN SER 109 11.435 0.715 3.513 802 HA SER 109 HA SER 109 12.961 -0.319 5.786 803 HB2 SER 109 2HB SER 109 13.127 -0.562 2.928 804 HB3 SER 109 3HB SER 109 14.632 0.117 3.494 805 HG SER 109 HG SER 109 13.373 -2.304 4.121 806 H ASN 110 HN ASN 110 15.446 1.064 4.708 807 HA ASN 110 HA ASN 110 15.154 3.776 5.741 808 HB2 ASN 110 2HB ASN 110 17.383 1.910 6.695 809 HB3 ASN 110 3HB ASN 110 17.129 3.582 7.166 810 HD21 ASN 110 1HD2 ASN 110 15.849 0.243 7.519 811 HD22 ASN 110 2HD2 ASN 110 14.856 0.602 8.903 812 H TYR 111 HN TYR 111 17.564 4.769 5.184 813 HA TYR 111 HA TYR 111 19.105 5.305 3.739 814 HB2 TYR 111 2HB TYR 111 20.685 3.589 2.970 815 HB3 TYR 111 3HB TYR 111 20.263 3.430 4.659 816 HD1 TYR 111 1HD TYR 111 19.657 1.928 1.260 817 HD2 TYR 111 2HD TYR 111 19.309 1.467 5.524 818 HE1 TYR 111 1HE TYR 111 18.813 -0.354 0.931 819 HE2 TYR 111 2HE TYR 111 18.460 -0.847 5.223 820 HH TYR 111 HH TYR 111 17.655 -2.376 3.685 821 H ASN 112 HN ASN 112 16.454 5.083 2.593 822 HA ASN 112 HA ASN 112 15.419 5.472 0.619 823 HB2 ASN 112 2HB ASN 112 17.969 5.704 -0.919 824 HB3 ASN 112 3HB ASN 112 16.409 6.397 -1.247 825 HD21 ASN 112 1HD2 ASN 112 19.253 6.581 0.852 826 HD22 ASN 112 2HD2 ASN 112 19.124 8.272 1.265 827 HA PRO 113 HA PRO 113 16.309 0.972 -0.296 828 HB2 PRO 113 2HB PRO 113 13.716 0.098 -0.051 829 HB3 PRO 113 3HB PRO 113 14.806 0.340 1.360 830 HG2 PRO 113 2HG PRO 113 12.742 2.254 0.180 831 HG3 PRO 113 3HG PRO 113 12.924 1.778 1.928 832 HD2 PRO 113 2HD PRO 113 13.917 4.056 0.951 833 HD3 PRO 113 3HD PRO 113 14.812 3.113 2.167 834 H PHE 114 HN PHE 114 13.749 3.091 -1.350 835 HA PHE 114 HA PHE 114 12.126 2.992 -2.943 836 HB2 PHE 114 2HB PHE 114 14.803 3.382 -3.927 837 HB3 PHE 114 3HB PHE 114 13.739 2.840 -5.216 838 HD1 PHE 114 1HD PHE 114 13.971 4.992 -6.413 839 HD2 PHE 114 2HD PHE 114 12.568 4.964 -2.333 840 HE1 PHE 114 1HE PHE 114 13.115 7.326 -6.671 841 HE2 PHE 114 2HE PHE 114 11.663 7.245 -2.631 842 HZ PHE 114 HZ PHE 114 11.928 8.428 -4.802 Start of MODEL 13 1 H THR 2 HN THR 2 7.862 -25.079 -6.456 2 HA THR 2 HA THR 2 9.813 -23.407 -5.055 3 HB THR 2 HB THR 2 11.382 -25.072 -5.958 4 HG1 THR 2 1HG THR 2 10.133 -25.463 -7.864 5 HG21 THR 2 1HG2 THR 2 10.115 -25.562 -3.829 6 HG22 THR 2 2HG2 THR 2 10.647 -27.006 -4.710 7 HG23 THR 2 3HG2 THR 2 8.950 -26.498 -4.788 8 H SER 3 HN SER 3 9.843 -21.322 -6.072 9 HA SER 3 HA SER 3 10.556 -21.272 -8.928 10 HB2 SER 3 2HB SER 3 8.239 -19.687 -7.726 11 HB3 SER 3 3HB SER 3 8.724 -19.744 -9.426 12 HG SER 3 HG SER 3 6.896 -20.995 -8.977 13 H LEU 4 HN LEU 4 11.087 -19.174 -9.695 14 HA LEU 4 HA LEU 4 12.103 -17.180 -7.723 15 HB2 LEU 4 2HB LEU 4 13.416 -18.003 -10.350 16 HB3 LEU 4 3HB LEU 4 14.042 -16.884 -9.162 17 HG LEU 4 HG LEU 4 13.693 -19.894 -8.794 18 HD11 LEU 4 1HD1 LEU 4 15.431 -19.323 -10.443 19 HD12 LEU 4 2HD1 LEU 4 16.116 -20.019 -8.971 20 HD13 LEU 4 3HD1 LEU 4 16.222 -18.260 -9.256 21 HD21 LEU 4 1HD2 LEU 4 15.107 -19.601 -6.784 22 HD22 LEU 4 2HD2 LEU 4 13.555 -18.764 -6.659 23 HD23 LEU 4 3HD2 LEU 4 15.027 -17.835 -6.982 24 H GLN 5 HN GLN 5 9.829 -16.274 -8.226 25 HA GLN 5 HA GLN 5 9.909 -14.576 -10.604 26 HB2 GLN 5 2HB GLN 5 7.766 -15.224 -11.308 27 HB3 GLN 5 3HB GLN 5 8.957 -16.549 -11.319 28 HG2 GLN 5 2HG GLN 5 7.996 -17.560 -9.410 29 HG3 GLN 5 3HG GLN 5 6.897 -16.199 -9.166 30 HE21 GLN 5 1HE2 GLN 5 7.699 -17.850 -12.320 31 HE22 GLN 5 2HE2 GLN 5 6.073 -18.355 -12.635 32 H LEU 6 HN LEU 6 10.422 -13.560 -8.305 33 HA LEU 6 HA LEU 6 7.966 -12.162 -7.358 34 HB2 LEU 6 2HB LEU 6 8.910 -12.159 -5.098 35 HB3 LEU 6 3HB LEU 6 8.416 -13.718 -5.687 36 HG LEU 6 HG LEU 6 10.588 -13.470 -4.292 37 HD11 LEU 6 1HD1 LEU 6 9.820 -15.571 -5.485 38 HD12 LEU 6 2HD1 LEU 6 11.561 -15.418 -5.212 39 HD13 LEU 6 3HD1 LEU 6 10.912 -15.101 -6.814 40 HD21 LEU 6 1HD2 LEU 6 11.674 -11.703 -5.604 41 HD22 LEU 6 2HD2 LEU 6 11.725 -12.750 -7.028 42 HD23 LEU 6 3HD2 LEU 6 12.666 -13.181 -5.602 43 H SER 7 HN SER 7 10.139 -11.349 -9.330 44 HA SER 7 HA SER 7 11.571 -9.131 -8.169 45 HB2 SER 7 2HB SER 7 10.686 -9.504 -11.065 46 HB3 SER 7 3HB SER 7 12.048 -8.548 -10.471 47 HG SER 7 HG SER 7 11.981 -11.089 -11.220 48 H ILE 8 HN ILE 8 10.703 -7.133 -7.614 49 HA ILE 8 HA ILE 8 8.089 -6.328 -8.813 50 HB ILE 8 HB ILE 8 9.300 -5.612 -6.133 51 HG12 ILE 8 2HG1 ILE 8 8.592 -7.949 -6.075 52 HG13 ILE 8 3HG1 ILE 8 7.676 -6.927 -5.014 53 HG21 ILE 8 1HG2 ILE 8 7.928 -3.772 -6.677 54 HG22 ILE 8 2HG2 ILE 8 6.634 -4.803 -7.342 55 HG23 ILE 8 3HG2 ILE 8 6.957 -4.758 -5.600 56 HD11 ILE 8 1HD1 ILE 8 6.165 -8.449 -5.976 57 HD12 ILE 8 2HD1 ILE 8 5.800 -6.893 -6.707 58 HD13 ILE 8 3HD1 ILE 8 6.701 -8.134 -7.633 59 H VAL 9 HN VAL 9 7.918 -3.914 -9.056 60 HA VAL 9 HA VAL 9 10.353 -2.384 -8.799 61 HB VAL 9 HB VAL 9 9.965 -1.104 -10.857 62 HG11 VAL 9 1HG1 VAL 9 10.428 -4.042 -11.481 63 HG12 VAL 9 2HG1 VAL 9 10.916 -2.656 -12.468 64 HG13 VAL 9 3HG1 VAL 9 11.642 -2.911 -10.862 65 HG21 VAL 9 1HG2 VAL 9 8.090 -3.307 -11.812 66 HG22 VAL 9 2HG2 VAL 9 7.541 -1.709 -11.267 67 HG23 VAL 9 3HG2 VAL 9 8.580 -1.843 -12.680 68 H HIS 10 HN HIS 10 9.867 -0.221 -8.167 69 HA HIS 10 HA HIS 10 7.162 0.757 -8.341 70 HB2 HIS 10 2HB HIS 10 7.419 -0.573 -6.102 71 HB3 HIS 10 3HB HIS 10 8.416 0.787 -5.612 72 HD1 HIS 10 1HD HIS 10 4.939 0.558 -7.352 73 HD2 HIS 10 2HD HIS 10 6.900 2.217 -4.004 74 HE1 HIS 10 1HE HIS 10 3.225 2.055 -6.161 75 H ARG 11 HN ARG 11 7.328 3.237 -7.496 76 HA ARG 11 HA ARG 11 10.105 4.226 -7.952 77 HB2 ARG 11 2HB ARG 11 9.364 6.086 -9.242 78 HB3 ARG 11 3HB ARG 11 8.924 4.572 -9.984 79 HG2 ARG 11 2HG ARG 11 7.155 6.026 -10.414 80 HG3 ARG 11 3HG ARG 11 6.547 4.921 -9.185 81 HD2 ARG 11 2HD ARG 11 6.947 6.654 -7.468 82 HD3 ARG 11 3HD ARG 11 7.606 7.751 -8.679 83 HE ARG 11 HE ARG 11 5.347 7.702 -9.746 84 HH11 ARG 11 1HH1 ARG 11 5.708 7.184 -6.230 85 HH12 ARG 11 2HH1 ARG 11 4.063 7.541 -5.886 86 HH21 ARG 11 1HH2 ARG 11 3.085 8.078 -9.219 87 HH22 ARG 11 2HH2 ARG 11 2.576 8.068 -7.568 88 H LEU 12 HN LEU 12 8.767 3.564 -5.505 89 HA LEU 12 HA LEU 12 8.561 4.251 -3.374 90 HB2 LEU 12 2HB LEU 12 9.720 6.945 -4.198 91 HB3 LEU 12 3HB LEU 12 9.670 6.290 -2.588 92 HG LEU 12 HG LEU 12 11.301 5.087 -4.864 93 HD11 LEU 12 1HD1 LEU 12 13.232 6.064 -3.749 94 HD12 LEU 12 2HD1 LEU 12 12.183 6.794 -2.506 95 HD13 LEU 12 3HD1 LEU 12 12.087 7.330 -4.201 96 HD21 LEU 12 1HD2 LEU 12 12.391 3.780 -3.083 97 HD22 LEU 12 2HD2 LEU 12 10.667 3.410 -3.146 98 HD23 LEU 12 3HD2 LEU 12 11.290 4.478 -1.872 99 HA PRO 13 HA PRO 13 4.684 6.488 -3.289 100 HB2 PRO 13 2HB PRO 13 4.362 7.278 -0.717 101 HB3 PRO 13 3HB PRO 13 4.341 5.566 -1.221 102 HG2 PRO 13 2HG PRO 13 6.671 7.100 -0.051 103 HG3 PRO 13 3HG PRO 13 6.035 5.500 0.436 104 HD2 PRO 13 2HD PRO 13 8.158 5.770 -1.241 105 HD3 PRO 13 3HD PRO 13 6.989 4.448 -1.443 106 H GLN 14 HN GLN 14 3.817 8.728 -2.229 107 HA GLN 14 HA GLN 14 5.582 11.027 -2.702 108 HB2 GLN 14 2HB GLN 14 4.574 9.952 -4.912 109 HB3 GLN 14 3HB GLN 14 3.037 10.612 -4.352 110 HG2 GLN 14 2HG GLN 14 4.084 12.884 -4.336 111 HG3 GLN 14 3HG GLN 14 5.607 12.168 -4.900 112 HE21 GLN 14 1HE2 GLN 14 5.020 10.528 -6.957 113 HE22 GLN 14 2HE2 GLN 14 4.160 11.381 -8.220 114 H ASN 15 HN ASN 15 4.237 13.114 -2.246 115 HA ASN 15 HA ASN 15 2.503 12.653 0.028 116 HB2 ASN 15 2HB ASN 15 2.524 15.134 0.162 117 HB3 ASN 15 3HB ASN 15 4.121 14.390 0.219 118 HD21 ASN 15 1HD2 ASN 15 5.646 14.729 -1.438 119 HD22 ASN 15 2HD2 ASN 15 5.294 15.833 -2.743 120 H TYR 16 HN TYR 16 0.278 12.380 -0.313 121 HA TYR 16 HA TYR 16 -1.006 14.311 -2.020 122 HB2 TYR 16 2HB TYR 16 -2.204 12.831 -3.478 123 HB3 TYR 16 3HB TYR 16 -0.525 12.462 -3.669 124 HD1 TYR 16 1HD TYR 16 0.328 10.409 -1.949 125 HD2 TYR 16 2HD TYR 16 -3.698 11.211 -3.258 126 HE1 TYR 16 1HE TYR 16 -0.339 8.090 -1.342 127 HE2 TYR 16 2HE TYR 16 -4.383 8.971 -2.509 128 HH TYR 16 HH TYR 16 -3.761 7.018 -1.495 129 H ARG 17 HN ARG 17 -3.619 13.452 -1.831 130 HA ARG 17 HA ARG 17 -4.206 11.928 0.526 131 HB2 ARG 17 2HB ARG 17 -5.404 13.626 1.766 132 HB3 ARG 17 3HB ARG 17 -3.714 14.062 1.590 133 HG2 ARG 17 2HG ARG 17 -4.154 15.758 -0.018 134 HG3 ARG 17 3HG ARG 17 -5.808 15.189 -0.285 135 HD2 ARG 17 2HD ARG 17 -6.093 17.043 1.101 136 HD3 ARG 17 3HD ARG 17 -6.267 15.668 2.180 137 HE ARG 17 HE ARG 17 -4.294 16.198 3.243 138 HH11 ARG 17 1HH1 ARG 17 -4.547 18.205 0.328 139 HH12 ARG 17 2HH1 ARG 17 -3.854 19.610 0.978 140 HH21 ARG 17 1HH2 ARG 17 -3.231 18.086 4.200 141 HH22 ARG 17 2HH2 ARG 17 -2.561 19.254 3.148 142 H TRP 18 HN TRP 18 -6.934 12.714 0.833 143 HA TRP 18 HA TRP 18 -8.135 11.792 -1.669 144 HB2 TRP 18 2HB TRP 18 -9.689 12.895 0.679 145 HB3 TRP 18 3HB TRP 18 -10.099 11.592 -0.413 146 HD1 TRP 18 1HD TRP 18 -9.188 12.165 2.979 147 HE1 TRP 18 1HE TRP 18 -8.409 10.053 4.159 148 HE3 TRP 18 3HE TRP 18 -8.613 9.150 -1.102 149 HZ2 TRP 18 2HZ TRP 18 -7.474 7.419 3.405 150 HZ3 TRP 18 3HZ TRP 18 -8.083 6.757 -0.811 151 HH2 TRP 18 2HH TRP 18 -7.425 5.884 1.436 152 H SER 19 HN SER 19 -9.487 13.115 -3.025 153 HA SER 19 HA SER 19 -9.379 15.981 -2.887 154 HB2 SER 19 2HB SER 19 -10.080 14.098 -4.807 155 HB3 SER 19 3HB SER 19 -11.616 14.819 -4.459 156 HG SER 19 HG SER 19 -10.435 16.921 -4.786 157 H ALA 20 HN ALA 20 -10.566 14.766 -0.385 158 HA ALA 20 HA ALA 20 -12.399 14.831 0.970 159 HB1 ALA 20 1HB ALA 20 -13.231 17.201 1.154 160 HB2 ALA 20 2HB ALA 20 -11.470 17.043 1.159 161 HB3 ALA 20 3HB ALA 20 -12.316 17.574 -0.312 162 H GLY 21 HN GLY 21 -13.221 13.777 -1.810 163 HA2 GLY 21 2HA GLY 21 -16.098 14.579 -1.814 164 HA3 GLY 21 1HA GLY 21 -15.120 14.352 -3.253 165 H PHE 22 HN PHE 22 -13.800 11.876 -2.352 166 HA PHE 22 HA PHE 22 -16.112 9.990 -2.410 167 HB2 PHE 22 2HB PHE 22 -13.673 9.439 -4.049 168 HB3 PHE 22 3HB PHE 22 -15.241 8.725 -4.147 169 HD1 PHE 22 1HD PHE 22 -16.881 9.496 -5.654 170 HD2 PHE 22 2HD PHE 22 -13.322 11.895 -5.028 171 HE1 PHE 22 1HE PHE 22 -17.449 10.882 -7.622 172 HE2 PHE 22 2HE PHE 22 -13.990 13.331 -6.921 173 HZ PHE 22 HZ PHE 22 -16.019 12.814 -8.240 174 H ALA 23 HN ALA 23 -12.948 10.654 -1.255 175 HA ALA 23 HA ALA 23 -11.228 9.599 -0.381 176 HB1 ALA 23 1HB ALA 23 -11.639 8.154 1.561 177 HB2 ALA 23 2HB ALA 23 -12.500 9.691 1.628 178 HB3 ALA 23 3HB ALA 23 -13.377 8.192 1.208 179 H GLY 24 HN GLY 24 -13.130 6.508 -0.372 180 HA2 GLY 24 2HA GLY 24 -10.778 5.096 -0.633 181 HA3 GLY 24 1HA GLY 24 -12.374 4.458 -1.055 182 H SER 25 HN SER 25 -12.729 6.420 -3.184 183 HA SER 25 HA SER 25 -11.115 5.038 -5.314 184 HB2 SER 25 2HB SER 25 -13.945 6.150 -5.420 185 HB3 SER 25 3HB SER 25 -13.073 5.394 -6.765 186 HG SER 25 HG SER 25 -14.125 3.749 -5.951 187 H LYS 26 HN LYS 26 -10.445 7.657 -3.827 188 HA LYS 26 HA LYS 26 -10.166 9.349 -6.260 189 HB2 LYS 26 2HB LYS 26 -12.093 10.110 -5.210 190 HB3 LYS 26 3HB LYS 26 -11.282 10.179 -3.626 191 HG2 LYS 26 2HG LYS 26 -11.325 12.361 -4.391 192 HG3 LYS 26 3HG LYS 26 -9.689 11.875 -4.615 193 HD2 LYS 26 2HD LYS 26 -11.628 12.938 -6.523 194 HD3 LYS 26 3HD LYS 26 -9.859 12.779 -6.601 195 HE2 LYS 26 2HE LYS 26 -9.896 10.697 -7.534 196 HE3 LYS 26 3HE LYS 26 -11.671 10.496 -7.356 197 HZ1 LYS 26 1HZ LYS 26 -10.467 12.606 -9.054 198 HZ2 LYS 26 2HZ LYS 26 -12.057 12.023 -9.018 199 HZ3 LYS 26 3HZ LYS 26 -10.855 11.120 -9.589 200 H VAL 27 HN VAL 27 -8.112 10.138 -6.455 201 HA VAL 27 HA VAL 27 -6.667 10.578 -3.917 202 HB VAL 27 HB VAL 27 -4.566 9.947 -5.064 203 HG11 VAL 27 1HG1 VAL 27 -4.774 7.617 -4.657 204 HG12 VAL 27 2HG1 VAL 27 -6.065 8.349 -3.668 205 HG13 VAL 27 3HG1 VAL 27 -6.471 7.582 -5.186 206 HG21 VAL 27 1HG2 VAL 27 -4.482 8.668 -7.093 207 HG22 VAL 27 2HG2 VAL 27 -6.247 8.673 -7.260 208 HG23 VAL 27 3HG2 VAL 27 -5.322 10.173 -7.463 209 H GLU 28 HN GLU 28 -5.493 12.605 -3.876 210 HA GLU 28 HA GLU 28 -5.182 13.998 -6.383 211 HB2 GLU 28 2HB GLU 28 -7.465 14.559 -4.761 212 HB3 GLU 28 3HB GLU 28 -6.350 15.860 -4.416 213 HG2 GLU 28 2HG GLU 28 -6.862 15.042 -7.303 214 HG3 GLU 28 3HG GLU 28 -8.094 15.924 -6.461 215 HA PRO 29 HA PRO 29 -1.420 14.776 -4.299 216 HB2 PRO 29 2HB PRO 29 -0.565 17.135 -5.575 217 HB3 PRO 29 3HB PRO 29 -0.381 15.460 -6.165 218 HG2 PRO 29 2HG PRO 29 -2.538 17.480 -6.812 219 HG3 PRO 29 3HG PRO 29 -1.643 16.388 -7.922 220 HD2 PRO 29 2HD PRO 29 -4.101 15.726 -7.113 221 HD3 PRO 29 3HD PRO 29 -2.831 14.467 -7.114 222 H ILE 30 HN ILE 30 -0.029 16.641 -3.317 223 HA ILE 30 HA ILE 30 -1.781 18.366 -1.625 224 HB ILE 30 HB ILE 30 0.825 16.967 -0.932 225 HG12 ILE 30 2HG1 ILE 30 -1.837 17.204 0.565 226 HG13 ILE 30 3HG1 ILE 30 -1.543 15.919 -0.588 227 HG21 ILE 30 1HG2 ILE 30 0.509 18.422 1.216 228 HG22 ILE 30 2HG2 ILE 30 1.124 19.264 -0.193 229 HG23 ILE 30 3HG2 ILE 30 -0.594 19.425 0.248 230 HD11 ILE 30 1HD1 ILE 30 0.378 15.133 0.723 231 HD12 ILE 30 2HD1 ILE 30 0.091 16.398 1.938 232 HD13 ILE 30 3HD1 ILE 30 -1.119 15.134 1.673 233 HA PRO 31 HA PRO 31 0.600 21.167 -4.331 234 HB2 PRO 31 2HB PRO 31 -1.264 22.989 -4.853 235 HB3 PRO 31 3HB PRO 31 -1.397 21.338 -5.525 236 HG2 PRO 31 2HG PRO 31 -2.802 22.434 -3.050 237 HG3 PRO 31 3HG PRO 31 -3.512 21.512 -4.415 238 HD2 PRO 31 2HD PRO 31 -2.632 20.415 -2.017 239 HD3 PRO 31 3HD PRO 31 -2.761 19.534 -3.550 240 H GLN 32 HN GLN 32 1.863 21.368 -2.273 241 HA GLN 32 HA GLN 32 2.749 22.519 -0.571 242 HB2 GLN 32 2HB GLN 32 2.789 24.067 -2.557 243 HB3 GLN 32 3HB GLN 32 1.356 24.846 -1.891 244 HG2 GLN 32 2HG GLN 32 2.960 25.128 0.221 245 HG3 GLN 32 3HG GLN 32 4.195 24.953 -1.034 246 HE21 GLN 32 1HE2 GLN 32 2.390 26.218 -3.101 247 HE22 GLN 32 2HE2 GLN 32 2.029 27.844 -2.610 248 H ASN 33 HN ASN 33 0.858 21.192 0.490 249 HA ASN 33 HA ASN 33 -0.196 22.874 2.642 250 HB2 ASN 33 2HB ASN 33 -2.104 21.015 1.139 251 HB3 ASN 33 3HB ASN 33 -2.449 21.879 2.631 252 HD21 ASN 33 1HD2 ASN 33 -2.475 22.035 -0.779 253 HD22 ASN 33 2HD2 ASN 33 -2.953 23.682 -0.963 254 H GLY 34 HN GLY 34 1.988 21.270 2.847 255 HA2 GLY 34 2HA GLY 34 1.545 18.473 3.076 256 HA3 GLY 34 1HA GLY 34 2.883 19.340 3.812 257 HA PRO 35 HA PRO 35 -0.687 17.958 6.612 258 HB2 PRO 35 2HB PRO 35 0.068 15.563 7.681 259 HB3 PRO 35 3HB PRO 35 -0.639 15.712 6.038 260 HG2 PRO 35 2HG PRO 35 2.311 15.606 6.782 261 HG3 PRO 35 3HG PRO 35 1.453 14.577 5.598 262 HD2 PRO 35 2HD PRO 35 2.787 16.806 4.824 263 HD3 PRO 35 3HD PRO 35 1.209 16.394 4.076 264 H CYS 36 HN CYS 36 -0.895 17.857 8.888 265 HA CYS 36 HA CYS 36 0.940 19.422 10.379 266 HB2 CYS 36 2HB CYS 36 -1.409 17.630 11.166 267 HB3 CYS 36 3HB CYS 36 -0.581 18.725 12.275 268 HG CYS 36 HG CYS 36 -1.054 20.891 11.249 269 H GLY 37 HN GLY 37 0.697 15.858 10.100 270 HA2 GLY 37 2HA GLY 37 3.384 15.632 11.125 271 HA3 GLY 37 1HA GLY 37 2.180 15.000 12.257 272 H ASP 38 HN ASP 38 3.358 14.772 8.932 273 HA ASP 38 HA ASP 38 3.433 13.135 7.394 274 HB2 ASP 38 2HB ASP 38 3.647 11.395 9.879 275 HB3 ASP 38 3HB ASP 38 4.057 10.899 8.234 276 H ASN 39 HN ASN 39 0.707 13.693 8.713 277 HA ASN 39 HA ASN 39 -1.001 11.479 8.060 278 HB2 ASN 39 2HB ASN 39 -1.998 14.336 8.117 279 HB3 ASN 39 3HB ASN 39 -2.810 12.896 8.671 280 HD21 ASN 39 1HD2 ASN 39 -1.850 12.019 10.856 281 HD22 ASN 39 2HD2 ASN 39 -1.040 13.206 11.895 282 H SER 40 HN SER 40 0.572 11.729 5.795 283 HA SER 40 HA SER 40 -1.071 13.067 3.698 284 HB2 SER 40 2HB SER 40 1.410 13.460 3.735 285 HB3 SER 40 3HB SER 40 1.716 11.750 3.451 286 HG SER 40 HG SER 40 -0.092 13.019 1.715 287 H LEU 41 HN LEU 41 -0.242 10.888 1.809 288 HA LEU 41 HA LEU 41 -1.295 8.446 3.009 289 HB2 LEU 41 2HB LEU 41 -2.368 9.635 0.440 290 HB3 LEU 41 3HB LEU 41 -2.574 7.941 0.922 291 HG LEU 41 HG LEU 41 -3.670 10.352 2.380 292 HD11 LEU 41 1HD1 LEU 41 -5.151 8.189 0.863 293 HD12 LEU 41 2HD1 LEU 41 -4.680 9.734 0.132 294 HD13 LEU 41 3HD1 LEU 41 -5.779 9.721 1.515 295 HD21 LEU 41 1HD2 LEU 41 -3.907 7.357 2.985 296 HD22 LEU 41 2HD2 LEU 41 -4.963 8.607 3.699 297 HD23 LEU 41 3HD2 LEU 41 -3.238 8.604 4.029 298 H VAL 42 HN VAL 42 -0.735 6.585 1.594 299 HA VAL 42 HA VAL 42 1.511 7.044 -0.257 300 HB VAL 42 HB VAL 42 2.732 5.164 0.773 301 HG11 VAL 42 1HG1 VAL 42 3.234 7.592 1.226 302 HG12 VAL 42 2HG1 VAL 42 2.305 7.448 2.730 303 HG13 VAL 42 3HG1 VAL 42 3.771 6.475 2.492 304 HG21 VAL 42 1HG2 VAL 42 1.233 3.951 2.094 305 HG22 VAL 42 2HG2 VAL 42 2.211 4.790 3.280 306 HG23 VAL 42 3HG2 VAL 42 0.602 5.390 2.939 307 H ALA 43 HN ALA 43 1.644 5.488 -1.902 308 HA ALA 43 HA ALA 43 -0.921 4.047 -2.377 309 HB1 ALA 43 1HB ALA 43 0.527 6.054 -4.158 310 HB2 ALA 43 2HB ALA 43 -0.857 5.062 -4.630 311 HB3 ALA 43 3HB ALA 43 -1.047 6.284 -3.361 312 H LEU 44 HN LEU 44 -0.259 2.005 -2.448 313 HA LEU 44 HA LEU 44 2.383 1.215 -3.518 314 HB2 LEU 44 2HB LEU 44 0.180 -0.146 -1.913 315 HB3 LEU 44 3HB LEU 44 1.407 -1.098 -2.739 316 HG LEU 44 HG LEU 44 3.205 -0.094 -1.491 317 HD11 LEU 44 1HD1 LEU 44 2.705 1.437 0.430 318 HD12 LEU 44 2HD1 LEU 44 1.048 1.636 -0.169 319 HD13 LEU 44 3HD1 LEU 44 2.455 2.194 -1.117 320 HD21 LEU 44 1HD2 LEU 44 0.913 -0.912 0.359 321 HD22 LEU 44 2HD2 LEU 44 2.649 -0.946 0.747 322 HD23 LEU 44 3HD2 LEU 44 2.015 -2.018 -0.505 323 H LYS 45 HN LYS 45 2.557 -0.379 -5.108 324 HA LYS 45 HA LYS 45 0.172 -1.148 -6.683 325 HB2 LYS 45 2HB LYS 45 2.681 0.240 -7.676 326 HB3 LYS 45 3HB LYS 45 1.846 -0.958 -8.659 327 HG2 LYS 45 2HG LYS 45 -0.270 0.438 -8.372 328 HG3 LYS 45 3HG LYS 45 0.712 1.655 -7.545 329 HD2 LYS 45 2HD LYS 45 0.458 2.285 -9.879 330 HD3 LYS 45 3HD LYS 45 2.150 1.840 -9.575 331 HE2 LYS 45 2HE LYS 45 1.628 -0.472 -10.492 332 HE3 LYS 45 3HE LYS 45 0.005 0.083 -10.880 333 HZ1 LYS 45 1HZ LYS 45 2.517 1.257 -11.901 334 HZ2 LYS 45 2HZ LYS 45 0.994 1.695 -12.363 335 HZ3 LYS 45 3HZ LYS 45 1.591 0.191 -12.733 336 H LEU 46 HN LEU 46 0.180 -3.298 -6.617 337 HA LEU 46 HA LEU 46 2.514 -4.817 -5.704 338 HB2 LEU 46 2HB LEU 46 -0.309 -5.549 -6.597 339 HB3 LEU 46 3HB LEU 46 0.938 -6.744 -6.300 340 HG LEU 46 HG LEU 46 1.205 -5.970 -3.965 341 HD11 LEU 46 1HD1 LEU 46 -1.226 -4.240 -4.602 342 HD12 LEU 46 2HD1 LEU 46 0.351 -3.719 -3.952 343 HD13 LEU 46 3HD1 LEU 46 -0.732 -4.695 -2.959 344 HD21 LEU 46 1HD2 LEU 46 -0.193 -7.918 -4.569 345 HD22 LEU 46 2HD2 LEU 46 -1.613 -6.865 -4.724 346 HD23 LEU 46 3HD2 LEU 46 -0.820 -7.082 -3.152 347 H LEU 47 HN LEU 47 3.066 -6.809 -7.156 348 HA LEU 47 HA LEU 47 2.722 -6.280 -10.019 349 HB2 LEU 47 2HB LEU 47 4.905 -5.236 -9.286 350 HB3 LEU 47 3HB LEU 47 5.538 -6.864 -9.062 351 HG LEU 47 HG LEU 47 4.282 -5.953 -11.685 352 HD11 LEU 47 1HD1 LEU 47 7.218 -5.786 -10.904 353 HD12 LEU 47 2HD1 LEU 47 6.106 -4.406 -11.101 354 HD13 LEU 47 3HD1 LEU 47 6.525 -5.412 -12.493 355 HD21 LEU 47 1HD2 LEU 47 6.249 -8.179 -10.981 356 HD22 LEU 47 2HD2 LEU 47 5.816 -7.708 -12.633 357 HD23 LEU 47 3HD2 LEU 47 4.581 -8.373 -11.566 358 H SER 48 HN SER 48 4.634 -8.735 -8.010 359 HA SER 48 HA SER 48 2.648 -10.731 -8.554 360 HB2 SER 48 2HB SER 48 4.091 -12.120 -10.052 361 HB3 SER 48 3HB SER 48 3.648 -10.561 -10.742 362 HG SER 48 HG SER 48 5.669 -10.857 -11.207 363 HA PRO 49 HA PRO 49 3.009 -13.232 -8.767 364 HB2 PRO 49 2HB PRO 49 2.472 -15.361 -7.172 365 HB3 PRO 49 3HB PRO 49 4.002 -15.199 -8.089 366 HG2 PRO 49 2HG PRO 49 3.485 -14.488 -5.195 367 HG3 PRO 49 3HG PRO 49 4.833 -15.467 -5.860 368 HD2 PRO 49 2HD PRO 49 5.132 -12.811 -5.306 369 HD3 PRO 49 3HD PRO 49 5.915 -13.550 -6.728 370 H ASP 50 HN ASP 50 0.692 -13.769 -8.606 371 HA ASP 50 HA ASP 50 -0.849 -12.367 -6.503 372 HB2 ASP 50 2HB ASP 50 0.178 -10.668 -8.066 373 HB3 ASP 50 3HB ASP 50 -0.692 -11.412 -9.395 374 H GLY 51 HN GLY 51 -3.233 -12.296 -7.271 375 HA2 GLY 51 2HA GLY 51 -4.703 -13.287 -9.078 376 HA3 GLY 51 1HA GLY 51 -4.003 -14.849 -8.643 377 H ASP 52 HN ASP 52 -6.420 -15.108 -8.365 378 HA ASP 52 HA ASP 52 -8.215 -13.861 -6.860 379 HB2 ASP 52 2HB ASP 52 -7.883 -16.857 -7.178 380 HB3 ASP 52 3HB ASP 52 -9.297 -16.146 -6.399 381 H ASN 53 HN ASN 53 -6.032 -16.295 -5.429 382 HA ASN 53 HA ASN 53 -7.308 -16.315 -2.834 383 HB2 ASN 53 2HB ASN 53 -4.525 -17.150 -3.771 384 HB3 ASN 53 3HB ASN 53 -5.022 -17.243 -2.082 385 HD21 ASN 53 1HD2 ASN 53 -4.183 -19.542 -3.334 386 HD22 ASN 53 2HD2 ASN 53 -5.616 -20.543 -3.482 387 H ALA 54 HN ALA 54 -4.282 -14.750 -3.959 388 HA ALA 54 HA ALA 54 -3.798 -13.316 -1.546 389 HB1 ALA 54 1HB ALA 54 -2.105 -13.727 -3.397 390 HB2 ALA 54 2HB ALA 54 -2.961 -12.514 -4.380 391 HB3 ALA 54 3HB ALA 54 -2.183 -12.053 -2.857 392 H TRP 55 HN TRP 55 -5.752 -12.532 -4.426 393 HA TRP 55 HA TRP 55 -6.387 -9.858 -3.811 394 HB2 TRP 55 2HB TRP 55 -7.525 -12.033 -5.496 395 HB3 TRP 55 3HB TRP 55 -8.695 -10.854 -4.946 396 HD1 TRP 55 1HD TRP 55 -6.845 -11.393 -7.892 397 HE1 TRP 55 1HE TRP 55 -6.513 -9.233 -9.225 398 HE3 TRP 55 3HE TRP 55 -7.885 -8.011 -4.194 399 HZ2 TRP 55 2HZ TRP 55 -6.564 -6.390 -8.716 400 HZ3 TRP 55 3HZ TRP 55 -7.796 -5.601 -4.669 401 HH2 TRP 55 2HH TRP 55 -7.138 -4.753 -6.886 402 H SER 56 HN SER 56 -8.341 -12.826 -2.931 403 HA SER 56 HA SER 56 -10.240 -11.215 -1.500 404 HB2 SER 56 2HB SER 56 -10.988 -13.308 -0.432 405 HB3 SER 56 3HB SER 56 -10.950 -13.384 -2.203 406 HG SER 56 HG SER 56 -9.767 -15.060 -2.002 407 H VAL 57 HN VAL 57 -7.466 -13.170 -0.358 408 HA VAL 57 HA VAL 57 -7.777 -12.557 2.364 409 HB VAL 57 HB VAL 57 -5.150 -12.966 0.844 410 HG11 VAL 57 1HG1 VAL 57 -4.344 -13.901 3.035 411 HG12 VAL 57 2HG1 VAL 57 -4.750 -12.183 3.115 412 HG13 VAL 57 3HG1 VAL 57 -5.865 -13.372 3.792 413 HG21 VAL 57 1HG2 VAL 57 -6.910 -14.875 0.588 414 HG22 VAL 57 2HG2 VAL 57 -5.283 -15.286 1.131 415 HG23 VAL 57 3HG2 VAL 57 -6.616 -15.198 2.287 416 H MET 58 HN MET 58 -6.070 -10.621 -0.213 417 HA MET 58 HA MET 58 -4.944 -8.715 1.566 418 HB2 MET 58 2HB MET 58 -4.267 -8.960 -0.755 419 HB3 MET 58 3HB MET 58 -5.850 -8.407 -1.319 420 HG2 MET 58 2HG MET 58 -5.412 -6.197 -0.325 421 HG3 MET 58 3HG MET 58 -3.884 -6.792 0.354 422 HE1 MET 58 1HE MET 58 -5.246 -7.623 -3.390 423 HE2 MET 58 2HE MET 58 -5.974 -6.115 -2.787 424 HE3 MET 58 3HE MET 58 -4.791 -6.074 -4.111 425 H TYR 59 HN TYR 59 -8.146 -8.763 -0.149 426 HA TYR 59 HA TYR 59 -8.919 -6.215 0.966 427 HB2 TYR 59 2HB TYR 59 -9.908 -7.295 -1.035 428 HB3 TYR 59 3HB TYR 59 -10.695 -8.477 -0.000 429 HD1 TYR 59 1HD TYR 59 -12.693 -7.902 1.245 430 HD2 TYR 59 2HD TYR 59 -10.519 -4.857 -0.886 431 HE1 TYR 59 1HE TYR 59 -14.635 -6.411 1.421 432 HE2 TYR 59 2HE TYR 59 -12.460 -3.331 -0.733 433 HH TYR 59 HH TYR 59 -14.696 -3.100 0.630 434 H LYS 60 HN LYS 60 -9.270 -9.604 2.137 435 HA LYS 60 HA LYS 60 -10.948 -9.013 4.347 436 HB2 LYS 60 2HB LYS 60 -8.855 -11.193 4.019 437 HB3 LYS 60 3HB LYS 60 -10.044 -11.104 5.297 438 HG2 LYS 60 2HG LYS 60 -11.463 -10.821 2.786 439 HG3 LYS 60 3HG LYS 60 -10.324 -12.140 2.628 440 HD2 LYS 60 2HD LYS 60 -12.361 -11.873 4.833 441 HD3 LYS 60 3HD LYS 60 -12.543 -12.867 3.378 442 HE2 LYS 60 2HE LYS 60 -10.012 -13.420 4.730 443 HE3 LYS 60 3HE LYS 60 -11.370 -13.620 5.855 444 HZ1 LYS 60 1HZ LYS 60 -10.989 -15.667 4.795 445 HZ2 LYS 60 2HZ LYS 60 -10.960 -14.988 3.277 446 HZ3 LYS 60 3HZ LYS 60 -12.352 -15.117 4.122 447 H LEU 61 HN LEU 61 -7.419 -8.922 3.939 448 HA LEU 61 HA LEU 61 -6.758 -8.165 6.632 449 HB2 LEU 61 2HB LEU 61 -5.412 -8.162 3.943 450 HB3 LEU 61 3HB LEU 61 -4.781 -7.047 5.127 451 HG LEU 61 HG LEU 61 -3.704 -9.326 4.955 452 HD11 LEU 61 1HD1 LEU 61 -3.387 -7.743 6.873 453 HD12 LEU 61 2HD1 LEU 61 -3.188 -9.447 7.286 454 HD13 LEU 61 3HD1 LEU 61 -4.690 -8.583 7.746 455 HD21 LEU 61 1HD2 LEU 61 -6.089 -10.311 6.545 456 HD22 LEU 61 2HD2 LEU 61 -4.588 -11.194 6.176 457 HD23 LEU 61 3HD2 LEU 61 -5.686 -10.747 4.881 458 H SER 62 HN SER 62 -7.318 -6.165 3.636 459 HA SER 62 HA SER 62 -6.812 -3.752 4.958 460 HB2 SER 62 2HB SER 62 -7.868 -2.613 3.119 461 HB3 SER 62 3HB SER 62 -6.924 -3.980 2.516 462 HG SER 62 HG SER 62 -9.714 -3.612 2.648 463 H GLN 63 HN GLN 63 -10.064 -5.410 4.629 464 HA GLN 63 HA GLN 63 -11.342 -3.394 6.110 465 HB2 GLN 63 2HB GLN 63 -13.221 -4.823 6.273 466 HB3 GLN 63 3HB GLN 63 -12.520 -4.799 4.660 467 HG2 GLN 63 2HG GLN 63 -12.861 -6.988 4.747 468 HG3 GLN 63 3HG GLN 63 -11.296 -6.922 5.535 469 HE21 GLN 63 1HE2 GLN 63 -14.811 -7.321 6.081 470 HE22 GLN 63 2HE2 GLN 63 -14.678 -7.945 7.720 471 H ALA 64 HN ALA 64 -9.919 -6.458 7.126 472 HA ALA 64 HA ALA 64 -10.560 -6.282 9.883 473 HB1 ALA 64 1HB ALA 64 -9.809 -8.371 8.785 474 HB2 ALA 64 2HB ALA 64 -8.190 -7.669 8.560 475 HB3 ALA 64 3HB ALA 64 -8.789 -7.988 10.193 476 H LEU 65 HN LEU 65 -8.160 -4.533 8.129 477 HA LEU 65 HA LEU 65 -6.682 -3.750 10.569 478 HB2 LEU 65 2HB LEU 65 -6.288 -3.259 7.599 479 HB3 LEU 65 3HB LEU 65 -5.288 -2.498 8.822 480 HG LEU 65 HG LEU 65 -5.550 -5.531 8.506 481 HD11 LEU 65 1HD1 LEU 65 -4.487 -4.608 6.531 482 HD12 LEU 65 2HD1 LEU 65 -3.237 -5.342 7.557 483 HD13 LEU 65 3HD1 LEU 65 -3.427 -3.585 7.520 484 HD21 LEU 65 1HD2 LEU 65 -3.567 -5.670 9.879 485 HD22 LEU 65 2HD2 LEU 65 -4.876 -4.912 10.775 486 HD23 LEU 65 3HD2 LEU 65 -3.573 -3.894 10.101 487 H SER 66 HN SER 66 -8.746 -2.228 7.981 488 HA SER 66 HA SER 66 -8.541 0.365 9.111 489 HB2 SER 66 2HB SER 66 -10.295 1.016 7.690 490 HB3 SER 66 3HB SER 66 -9.359 -0.183 6.783 491 HG SER 66 HG SER 66 -11.924 -0.111 7.382 492 H ASP 67 HN ASP 67 -10.712 -2.328 9.780 493 HA ASP 67 HA ASP 67 -12.549 -1.097 11.463 494 HB2 ASP 67 2HB ASP 67 -12.473 -3.483 10.569 495 HB3 ASP 67 3HB ASP 67 -11.383 -3.878 11.897 496 H ILE 68 HN ILE 68 -9.147 -1.620 12.111 497 HA ILE 68 HA ILE 68 -9.495 -1.586 15.022 498 HB ILE 68 HB ILE 68 -6.932 -1.783 13.391 499 HG12 ILE 68 2HG1 ILE 68 -8.192 -3.581 12.595 500 HG13 ILE 68 3HG1 ILE 68 -7.067 -4.239 13.754 501 HG21 ILE 68 1HG2 ILE 68 -6.076 -2.894 15.436 502 HG22 ILE 68 2HG2 ILE 68 -6.560 -1.222 15.718 503 HG23 ILE 68 3HG2 ILE 68 -7.622 -2.549 16.242 504 HD11 ILE 68 1HD1 ILE 68 -9.239 -5.330 13.999 505 HD12 ILE 68 2HD1 ILE 68 -8.954 -4.337 15.451 506 HD13 ILE 68 3HD1 ILE 68 -10.069 -3.796 14.187 507 H GLU 69 HN GLU 69 -7.535 0.072 12.542 508 HA GLU 69 HA GLU 69 -8.581 2.617 13.039 509 HB2 GLU 69 2HB GLU 69 -6.706 3.797 14.090 510 HB3 GLU 69 3HB GLU 69 -7.508 2.723 15.193 511 HG2 GLU 69 2HG GLU 69 -5.793 1.070 15.046 512 HG3 GLU 69 3HG GLU 69 -5.068 1.847 13.635 513 H VAL 70 HN VAL 70 -7.222 0.675 10.893 514 HA VAL 70 HA VAL 70 -5.146 2.548 9.865 515 HB VAL 70 HB VAL 70 -5.308 -0.460 9.631 516 HG11 VAL 70 1HG1 VAL 70 -2.958 1.417 9.178 517 HG12 VAL 70 2HG1 VAL 70 -2.952 -0.348 8.985 518 HG13 VAL 70 3HG1 VAL 70 -3.898 0.657 7.876 519 HG21 VAL 70 1HG2 VAL 70 -3.497 -0.454 11.345 520 HG22 VAL 70 2HG2 VAL 70 -3.789 1.264 11.617 521 HG23 VAL 70 3HG2 VAL 70 -5.042 0.050 11.987 522 HA PRO 71 HA PRO 71 -8.709 2.245 6.986 523 HB2 PRO 71 2HB PRO 71 -9.097 4.828 6.324 524 HB3 PRO 71 3HB PRO 71 -9.494 4.164 7.918 525 HG2 PRO 71 2HG PRO 71 -6.897 5.581 7.134 526 HG3 PRO 71 3HG PRO 71 -7.979 6.011 8.484 527 HD2 PRO 71 2HD PRO 71 -5.908 4.427 8.991 528 HD3 PRO 71 3HD PRO 71 -7.529 4.068 9.668 529 H CYS 72 HN CYS 72 -8.198 1.271 5.212 530 HA CYS 72 HA CYS 72 -5.962 2.242 3.496 531 HB2 CYS 72 2HB CYS 72 -7.304 -0.490 3.667 532 HB3 CYS 72 3HB CYS 72 -5.908 -0.089 2.659 533 HG CYS 72 HG CYS 72 -6.136 0.127 5.990 534 H SER 73 HN SER 73 -6.369 1.387 1.061 535 HA SER 73 HA SER 73 -9.156 0.960 0.449 536 HB2 SER 73 2HB SER 73 -8.759 3.468 -0.018 537 HB3 SER 73 3HB SER 73 -7.677 2.930 -1.322 538 HG SER 73 HG SER 73 -9.756 3.223 -2.153 539 H VAL 74 HN VAL 74 -9.365 -0.041 -1.710 540 HA VAL 74 HA VAL 74 -7.028 -1.468 -2.745 541 HB VAL 74 HB VAL 74 -9.714 -2.631 -1.880 542 HG11 VAL 74 1HG1 VAL 74 -8.548 -4.855 -2.237 543 HG12 VAL 74 2HG1 VAL 74 -8.812 -3.905 -3.699 544 HG13 VAL 74 3HG1 VAL 74 -7.196 -3.970 -2.969 545 HG21 VAL 74 1HG2 VAL 74 -6.998 -2.776 -0.484 546 HG22 VAL 74 2HG2 VAL 74 -8.539 -2.188 0.180 547 HG23 VAL 74 3HG2 VAL 74 -8.327 -3.900 -0.145 548 H LEU 75 HN LEU 75 -7.041 -1.130 -4.973 549 HA LEU 75 HA LEU 75 -9.663 -1.136 -6.355 550 HB2 LEU 75 2HB LEU 75 -7.328 0.705 -7.006 551 HB3 LEU 75 3HB LEU 75 -8.817 0.554 -7.932 552 HG LEU 75 HG LEU 75 -8.565 1.697 -5.124 553 HD11 LEU 75 1HD1 LEU 75 -7.626 3.136 -6.888 554 HD12 LEU 75 2HD1 LEU 75 -9.097 3.842 -6.205 555 HD13 LEU 75 3HD1 LEU 75 -9.134 3.039 -7.797 556 HD21 LEU 75 1HD2 LEU 75 -11.019 1.364 -6.901 557 HD22 LEU 75 2HD2 LEU 75 -10.944 2.459 -5.490 558 HD23 LEU 75 3HD2 LEU 75 -10.765 0.725 -5.274 559 H GLU 76 HN GLU 76 -9.615 -1.998 -8.403 560 HA GLU 76 HA GLU 76 -7.261 -3.658 -9.101 561 HB2 GLU 76 2HB GLU 76 -8.828 -5.341 -9.813 562 HB3 GLU 76 3HB GLU 76 -9.155 -4.949 -8.134 563 HG2 GLU 76 2HG GLU 76 -10.836 -3.760 -10.375 564 HG3 GLU 76 3HG GLU 76 -11.111 -5.354 -9.715 565 H CYS 77 HN CYS 77 -6.855 -3.948 -11.309 566 HA CYS 77 HA CYS 77 -8.756 -3.259 -13.332 567 HB2 CYS 77 2HB CYS 77 -6.022 -1.887 -13.293 568 HB3 CYS 77 3HB CYS 77 -6.930 -2.184 -14.770 569 HG CYS 77 HG CYS 77 -7.088 0.332 -14.096 570 H GLU 78 HN GLU 78 -8.769 -5.402 -13.904 571 HA GLU 78 HA GLU 78 -8.189 -7.170 -15.135 572 HB2 GLU 78 2HB GLU 78 -5.721 -5.573 -15.930 573 HB3 GLU 78 3HB GLU 78 -6.406 -6.928 -16.807 574 HG2 GLU 78 2HG GLU 78 -7.836 -4.266 -16.379 575 HG3 GLU 78 3HG GLU 78 -6.854 -4.697 -17.768 576 H GLY 79 HN GLY 79 -5.016 -6.082 -14.016 577 HA2 GLY 79 2HA GLY 79 -4.461 -8.448 -12.412 578 HA3 GLY 79 1HA GLY 79 -3.509 -8.365 -13.903 579 H GLU 80 HN GLU 80 -4.526 -5.383 -12.303 580 HA GLU 80 HA GLU 80 -1.809 -4.959 -11.154 581 HB2 GLU 80 2HB GLU 80 -3.497 -3.176 -12.949 582 HB3 GLU 80 3HB GLU 80 -2.236 -2.515 -11.911 583 HG2 GLU 80 2HG GLU 80 -1.702 -4.721 -13.953 584 HG3 GLU 80 3HG GLU 80 -1.583 -3.012 -14.305 585 HA PRO 81 HA PRO 81 -4.924 -4.207 -7.825 586 HB2 PRO 81 2HB PRO 81 -2.680 -5.224 -6.154 587 HB3 PRO 81 3HB PRO 81 -4.400 -5.695 -6.140 588 HG2 PRO 81 2HG PRO 81 -2.465 -7.343 -7.131 589 HG3 PRO 81 3HG PRO 81 -4.090 -7.251 -7.877 590 HD2 PRO 81 2HD PRO 81 -1.560 -5.831 -8.742 591 HD3 PRO 81 3HD PRO 81 -2.738 -6.741 -9.733 592 H CYS 82 HN CYS 82 -4.889 -2.252 -6.776 593 HA CYS 82 HA CYS 82 -2.288 -0.883 -6.272 594 HB2 CYS 82 2HB CYS 82 -4.858 0.314 -7.395 595 HB3 CYS 82 3HB CYS 82 -3.423 1.236 -6.865 596 HG CYS 82 HG CYS 82 -3.454 -1.224 -9.100 597 H LEU 83 HN LEU 83 -2.148 -0.096 -4.207 598 HA LEU 83 HA LEU 83 -4.550 -0.378 -2.459 599 HB2 LEU 83 2HB LEU 83 -2.171 -2.080 -2.519 600 HB3 LEU 83 3HB LEU 83 -2.123 -1.107 -1.062 601 HG LEU 83 HG LEU 83 -4.474 -1.856 -0.530 602 HD11 LEU 83 1HD1 LEU 83 -5.307 -3.876 -1.701 603 HD12 LEU 83 2HD1 LEU 83 -4.009 -3.697 -2.908 604 HD13 LEU 83 3HD1 LEU 83 -5.264 -2.458 -2.748 605 HD21 LEU 83 1HD2 LEU 83 -2.481 -2.929 0.485 606 HD22 LEU 83 2HD2 LEU 83 -2.399 -4.062 -0.881 607 HD23 LEU 83 3HD2 LEU 83 -3.789 -4.092 0.226 608 H PHE 84 HN PHE 84 -4.548 0.891 -0.633 609 HA PHE 84 HA PHE 84 -2.649 3.201 -0.709 610 HB2 PHE 84 2HB PHE 84 -5.680 3.361 -0.651 611 HB3 PHE 84 3HB PHE 84 -4.540 4.694 -0.712 612 HD1 PHE 84 1HD PHE 84 -6.260 2.091 -2.712 613 HD2 PHE 84 2HD PHE 84 -3.102 5.007 -2.763 614 HE1 PHE 84 1HE PHE 84 -6.172 1.940 -5.166 615 HE2 PHE 84 2HE PHE 84 -2.979 4.832 -5.217 616 HZ PHE 84 HZ PHE 84 -4.565 3.321 -6.453 617 H VAL 85 HN VAL 85 -2.285 4.169 1.234 618 HA VAL 85 HA VAL 85 -3.507 3.356 3.732 619 HB VAL 85 HB VAL 85 -0.876 2.779 4.289 620 HG11 VAL 85 1HG1 VAL 85 -3.132 0.878 3.464 621 HG12 VAL 85 2HG1 VAL 85 -1.636 0.354 4.279 622 HG13 VAL 85 3HG1 VAL 85 -2.767 1.451 5.076 623 HG21 VAL 85 1HG2 VAL 85 -1.340 1.225 1.727 624 HG22 VAL 85 2HG2 VAL 85 -0.372 2.687 1.773 625 HG23 VAL 85 3HG2 VAL 85 0.110 1.303 2.756 626 H ASN 86 HN ASN 86 -2.004 4.409 5.628 627 HA ASN 86 HA ASN 86 -2.159 7.214 4.914 628 HB2 ASN 86 2HB ASN 86 -1.512 5.776 7.516 629 HB3 ASN 86 3HB ASN 86 -1.437 7.527 7.326 630 HD21 ASN 86 1HD2 ASN 86 -3.603 4.740 7.413 631 HD22 ASN 86 2HD2 ASN 86 -5.091 5.676 7.436 632 H ARG 87 HN ARG 87 0.192 5.427 6.527 633 HA ARG 87 HA ARG 87 2.438 6.303 4.869 634 HB2 ARG 87 2HB ARG 87 1.854 8.276 6.483 635 HB3 ARG 87 3HB ARG 87 2.455 7.314 7.747 636 HG2 ARG 87 2HG ARG 87 4.087 8.748 7.274 637 HG3 ARG 87 3HG ARG 87 4.696 7.236 6.559 638 HD2 ARG 87 2HD ARG 87 4.660 8.255 4.352 639 HD3 ARG 87 3HD ARG 87 3.304 9.131 4.724 640 HE ARG 87 HE ARG 87 4.513 10.802 5.855 641 HH11 ARG 87 1HH1 ARG 87 6.724 8.404 4.330 642 HH12 ARG 87 2HH1 ARG 87 8.107 9.356 4.650 643 HH21 ARG 87 1HH2 ARG 87 6.504 11.849 6.508 644 HH22 ARG 87 2HH2 ARG 87 7.975 11.237 5.831 645 H GLN 88 HN GLN 88 2.513 5.591 8.319 646 HA GLN 88 HA GLN 88 4.557 3.554 8.010 647 HB2 GLN 88 2HB GLN 88 4.145 3.245 10.546 648 HB3 GLN 88 3HB GLN 88 4.823 4.750 9.989 649 HG2 GLN 88 2HG GLN 88 1.831 4.515 10.382 650 HG3 GLN 88 3HG GLN 88 2.886 4.705 11.760 651 HE21 GLN 88 1HE2 GLN 88 0.907 6.524 10.245 652 HE22 GLN 88 2HE2 GLN 88 1.782 8.069 10.262 653 H ASP 89 HN ASP 89 1.212 3.469 7.988 654 HA ASP 89 HA ASP 89 0.398 0.962 8.769 655 HB2 ASP 89 2HB ASP 89 -0.385 2.345 6.217 656 HB3 ASP 89 3HB ASP 89 -1.331 1.158 7.083 657 H GLU 90 HN GLU 90 2.467 1.948 6.060 658 HA GLU 90 HA GLU 90 2.284 -0.373 4.432 659 HB2 GLU 90 2HB GLU 90 4.487 1.692 4.881 660 HB3 GLU 90 3HB GLU 90 4.587 0.359 3.700 661 HG2 GLU 90 2HG GLU 90 2.590 1.182 2.574 662 HG3 GLU 90 3HG GLU 90 2.462 2.515 3.712 663 H PHE 91 HN PHE 91 4.814 0.692 6.706 664 HA PHE 91 HA PHE 91 6.426 -1.532 6.849 665 HB2 PHE 91 2HB PHE 91 5.794 0.026 9.344 666 HB3 PHE 91 3HB PHE 91 7.325 -0.617 8.815 667 HD1 PHE 91 1HD PHE 91 6.442 2.198 9.876 668 HD2 PHE 91 2HD PHE 91 7.200 0.690 5.881 669 HE1 PHE 91 1HE PHE 91 7.102 4.458 9.114 670 HE2 PHE 91 2HE PHE 91 7.903 2.920 5.179 671 HZ PHE 91 HZ PHE 91 7.867 4.813 6.789 672 H ALA 92 HN ALA 92 3.621 -0.708 8.728 673 HA ALA 92 HA ALA 92 3.466 -3.068 10.402 674 HB1 ALA 92 1HB ALA 92 2.174 -1.045 10.953 675 HB2 ALA 92 2HB ALA 92 1.170 -1.272 9.506 676 HB3 ALA 92 3HB ALA 92 1.119 -2.471 10.814 677 H ALA 93 HN ALA 93 1.695 -2.309 7.330 678 HA ALA 93 HA ALA 93 0.299 -4.721 7.066 679 HB1 ALA 93 1HB ALA 93 -0.227 -2.801 5.743 680 HB2 ALA 93 2HB ALA 93 1.352 -2.800 4.939 681 HB3 ALA 93 3HB ALA 93 0.205 -4.119 4.649 682 H THR 94 HN THR 94 3.583 -3.858 5.706 683 HA THR 94 HA THR 94 3.906 -6.404 4.441 684 HB THR 94 HB THR 94 5.171 -4.542 3.658 685 HG1 THR 94 1HG THR 94 7.177 -5.278 3.661 686 HG21 THR 94 1HG2 THR 94 5.611 -3.072 5.405 687 HG22 THR 94 2HG2 THR 94 7.174 -3.716 5.051 688 HG23 THR 94 3HG2 THR 94 6.302 -4.343 6.437 689 H CYS 95 HN CYS 95 4.941 -5.194 7.668 690 HA CYS 95 HA CYS 95 6.257 -7.473 8.591 691 HB2 CYS 95 2HB CYS 95 6.128 -5.226 9.716 692 HB3 CYS 95 3HB CYS 95 4.466 -5.592 10.184 693 HG CYS 95 HG CYS 95 7.359 -6.882 11.048 694 H ARG 96 HN ARG 96 2.783 -6.705 8.696 695 HA ARG 96 HA ARG 96 1.944 -9.109 10.030 696 HB2 ARG 96 2HB ARG 96 0.520 -7.034 8.314 697 HB3 ARG 96 3HB ARG 96 -0.340 -8.377 9.061 698 HG2 ARG 96 2HG ARG 96 -0.101 -7.560 11.211 699 HG3 ARG 96 3HG ARG 96 1.352 -6.603 10.840 700 HD2 ARG 96 2HD ARG 96 0.184 -4.854 9.897 701 HD3 ARG 96 3HD ARG 96 -1.181 -5.857 9.425 702 HE ARG 96 HE ARG 96 -2.183 -4.946 11.144 703 HH11 ARG 96 1HH1 ARG 96 1.155 -5.333 12.374 704 HH12 ARG 96 2HH1 ARG 96 0.751 -4.685 13.914 705 HH21 ARG 96 1HH2 ARG 96 -2.654 -4.131 13.139 706 HH22 ARG 96 2HH2 ARG 96 -1.553 -4.177 14.454 707 H LEU 97 HN LEU 97 1.758 -8.139 6.551 708 HA LEU 97 HA LEU 97 0.572 -10.553 5.705 709 HB2 LEU 97 2HB LEU 97 2.187 -8.434 4.225 710 HB3 LEU 97 3HB LEU 97 1.489 -9.810 3.421 711 HG LEU 97 HG LEU 97 0.272 -7.324 4.033 712 HD11 LEU 97 1HD1 LEU 97 -1.480 -8.135 2.532 713 HD12 LEU 97 2HD1 LEU 97 -0.892 -9.795 2.727 714 HD13 LEU 97 3HD1 LEU 97 0.122 -8.587 1.910 715 HD21 LEU 97 1HD2 LEU 97 -0.701 -8.235 6.098 716 HD22 LEU 97 2HD2 LEU 97 -1.311 -9.659 5.208 717 HD23 LEU 97 3HD2 LEU 97 -1.926 -8.042 4.860 718 H LYS 98 HN LYS 98 4.006 -9.817 6.167 719 HA LYS 98 HA LYS 98 5.134 -12.039 4.846 720 HB2 LYS 98 2HB LYS 98 5.824 -10.526 7.340 721 HB3 LYS 98 3HB LYS 98 6.742 -11.989 6.940 722 HG2 LYS 98 2HG LYS 98 7.443 -11.182 4.837 723 HG3 LYS 98 3HG LYS 98 6.113 -10.024 4.708 724 HD2 LYS 98 2HD LYS 98 7.098 -8.687 6.538 725 HD3 LYS 98 3HD LYS 98 8.563 -9.698 6.461 726 HE2 LYS 98 2HE LYS 98 7.284 -8.468 3.953 727 HE3 LYS 98 3HE LYS 98 8.345 -7.529 4.972 728 HZ1 LYS 98 1HZ LYS 98 9.064 -10.044 3.578 729 HZ2 LYS 98 2HZ LYS 98 10.082 -9.241 4.582 730 HZ3 LYS 98 3HZ LYS 98 9.588 -8.515 3.217 731 H ASN 99 HN ASN 99 3.260 -11.925 7.853 732 HA ASN 99 HA ASN 99 3.852 -14.586 8.687 733 HB2 ASN 99 2HB ASN 99 2.693 -12.354 9.848 734 HB3 ASN 99 3HB ASN 99 1.260 -13.327 9.515 735 HD21 ASN 99 1HD2 ASN 99 4.619 -13.581 10.704 736 HD22 ASN 99 2HD2 ASN 99 4.335 -14.854 11.839 737 H PHE 100 HN PHE 100 1.679 -13.422 6.209 738 HA PHE 100 HA PHE 100 0.295 -16.052 6.214 739 HB2 PHE 100 2HB PHE 100 -0.649 -13.378 5.564 740 HB3 PHE 100 3HB PHE 100 -0.761 -14.402 4.145 741 HD1 PHE 100 1HD PHE 100 -1.503 -17.031 4.976 742 HD2 PHE 100 2HD PHE 100 -2.674 -13.255 6.708 743 HE1 PHE 100 1HE PHE 100 -3.453 -18.132 6.023 744 HE2 PHE 100 2HE PHE 100 -4.612 -14.377 7.794 745 HZ PHE 100 HZ PHE 100 -5.036 -16.785 7.431 746 H GLY 101 HN GLY 101 2.169 -13.886 4.203 747 HA2 GLY 101 2HA GLY 101 4.216 -14.835 3.348 748 HA3 GLY 101 1HA GLY 101 3.365 -16.320 2.908 749 H VAL 102 HN VAL 102 3.804 -12.885 2.125 750 HA VAL 102 HA VAL 102 2.365 -13.175 -0.448 751 HB VAL 102 HB VAL 102 2.000 -10.885 1.510 752 HG11 VAL 102 1HG1 VAL 102 0.334 -11.897 -0.824 753 HG12 VAL 102 2HG1 VAL 102 -0.125 -10.585 0.274 754 HG13 VAL 102 3HG1 VAL 102 1.285 -10.383 -0.770 755 HG21 VAL 102 1HG2 VAL 102 0.316 -13.417 1.346 756 HG22 VAL 102 2HG2 VAL 102 1.125 -12.734 2.784 757 HG23 VAL 102 3HG2 VAL 102 -0.236 -11.905 2.080 758 H ALA 103 HN ALA 103 2.912 -11.449 -1.986 759 HA ALA 103 HA ALA 103 5.646 -10.544 -1.893 760 HB1 ALA 103 1HB ALA 103 4.478 -11.151 -3.995 761 HB2 ALA 103 2HB ALA 103 3.336 -9.810 -3.747 762 HB3 ALA 103 3HB ALA 103 5.069 -9.475 -4.034 763 H ILE 104 HN ILE 104 6.436 -8.486 -1.555 764 HA ILE 104 HA ILE 104 4.676 -6.389 -0.436 765 HB ILE 104 HB ILE 104 7.604 -7.149 -0.039 766 HG12 ILE 104 2HG1 ILE 104 6.321 -8.849 0.994 767 HG13 ILE 104 3HG1 ILE 104 7.003 -7.818 2.219 768 HG21 ILE 104 1HG2 ILE 104 7.393 -4.769 0.325 769 HG22 ILE 104 2HG2 ILE 104 6.030 -5.023 1.431 770 HG23 ILE 104 3HG2 ILE 104 7.668 -5.589 1.839 771 HD11 ILE 104 1HD1 ILE 104 4.100 -8.034 1.379 772 HD12 ILE 104 2HD1 ILE 104 4.814 -8.327 2.971 773 HD13 ILE 104 3HD1 ILE 104 4.682 -6.665 2.336 774 H ALA 105 HN ALA 105 5.245 -4.215 -1.069 775 HA ALA 105 HA ALA 105 7.032 -3.935 -3.439 776 HB1 ALA 105 1HB ALA 105 5.307 -2.633 -4.589 777 HB2 ALA 105 2HB ALA 105 4.604 -4.181 -4.094 778 HB3 ALA 105 3HB ALA 105 4.258 -2.698 -3.160 779 H GLU 106 HN GLU 106 7.486 -3.027 -0.586 780 HA GLU 106 HA GLU 106 7.797 -0.125 -0.989 781 HB2 GLU 106 2HB GLU 106 6.549 0.232 1.088 782 HB3 GLU 106 3HB GLU 106 5.554 -0.409 -0.197 783 HG2 GLU 106 2HG GLU 106 4.861 -1.549 1.744 784 HG3 GLU 106 3HG GLU 106 5.808 -2.713 0.819 785 HA PRO 107 HA PRO 107 11.026 -1.271 1.988 786 HB2 PRO 107 2HB PRO 107 12.275 0.957 2.378 787 HB3 PRO 107 3HB PRO 107 12.146 0.294 0.709 788 HG2 PRO 107 2HG PRO 107 10.582 2.607 1.898 789 HG3 PRO 107 3HG PRO 107 11.214 2.420 0.241 790 HD2 PRO 107 2HD PRO 107 8.571 1.793 1.099 791 HD3 PRO 107 3HD PRO 107 9.349 1.264 -0.419 792 H PHE 108 HN PHE 108 11.402 -1.574 4.040 793 HA PHE 108 HA PHE 108 10.957 0.431 6.114 794 HB2 PHE 108 2HB PHE 108 9.461 -0.821 7.491 795 HB3 PHE 108 3HB PHE 108 8.756 -0.727 5.899 796 HD1 PHE 108 1HD PHE 108 10.399 -3.030 4.603 797 HD2 PHE 108 2HD PHE 108 8.075 -2.646 8.221 798 HE1 PHE 108 1HE PHE 108 10.156 -5.506 4.724 799 HE2 PHE 108 2HE PHE 108 8.014 -5.111 8.435 800 HZ PHE 108 HZ PHE 108 9.036 -6.548 6.708 801 H SER 109 HN SER 109 13.297 -1.189 4.831 802 HA SER 109 HA SER 109 14.181 -2.722 7.229 803 HB2 SER 109 2HB SER 109 14.663 -3.118 4.253 804 HB3 SER 109 3HB SER 109 15.733 -3.754 5.501 805 HG SER 109 HG SER 109 13.255 -4.459 6.190 806 H ASN 110 HN ASN 110 16.482 -2.681 7.574 807 HA ASN 110 HA ASN 110 17.539 0.077 7.173 808 HB2 ASN 110 2HB ASN 110 16.869 -1.542 9.622 809 HB3 ASN 110 3HB ASN 110 18.078 -0.231 9.611 810 HD21 ASN 110 1HD2 ASN 110 17.377 1.949 9.467 811 HD22 ASN 110 2HD2 ASN 110 15.703 2.422 9.555 812 H TYR 111 HN TYR 111 19.146 -0.531 6.014 813 HA TYR 111 HA TYR 111 21.644 -0.964 6.950 814 HB2 TYR 111 2HB TYR 111 22.262 -3.118 5.999 815 HB3 TYR 111 3HB TYR 111 21.135 -3.264 7.320 816 HD1 TYR 111 1HD TYR 111 18.838 -4.132 6.988 817 HD2 TYR 111 2HD TYR 111 21.566 -3.726 3.665 818 HE1 TYR 111 1HE TYR 111 17.372 -5.577 5.598 819 HE2 TYR 111 2HE TYR 111 20.090 -5.116 2.268 820 HH TYR 111 HH TYR 111 18.051 -6.284 2.157 821 H ASN 112 HN ASN 112 19.984 0.521 5.098 822 HA ASN 112 HA ASN 112 19.712 1.284 3.006 823 HB2 ASN 112 2HB ASN 112 22.585 0.738 2.342 824 HB3 ASN 112 3HB ASN 112 21.596 2.158 1.993 825 HD21 ASN 112 1HD2 ASN 112 24.175 1.355 3.738 826 HD22 ASN 112 2HD2 ASN 112 23.880 1.989 5.361 827 HA PRO 113 HA PRO 113 19.311 -2.951 1.195 828 HB2 PRO 113 2HB PRO 113 16.570 -3.056 1.043 829 HB3 PRO 113 3HB PRO 113 17.481 -3.473 2.526 830 HG2 PRO 113 2HG PRO 113 16.099 -0.872 1.862 831 HG3 PRO 113 3HG PRO 113 16.112 -1.818 3.423 832 HD2 PRO 113 2HD PRO 113 17.707 0.373 2.891 833 HD3 PRO 113 3HD PRO 113 18.106 -0.921 4.045 834 H PHE 114 HN PHE 114 18.569 0.249 0.430 835 HA PHE 114 HA PHE 114 17.513 0.051 -2.265 836 HB2 PHE 114 2HB PHE 114 18.730 2.204 -0.525 837 HB3 PHE 114 3HB PHE 114 18.546 2.440 -2.245 838 HD1 PHE 114 1HD PHE 114 16.788 3.838 -2.786 839 HD2 PHE 114 2HD PHE 114 16.257 1.024 0.441 840 HE1 PHE 114 1HE PHE 114 14.553 4.788 -2.308 841 HE2 PHE 114 2HE PHE 114 14.034 1.984 0.913 842 HZ PHE 114 HZ PHE 114 13.185 3.889 -0.440 Start of MODEL 14 1 H THR 2 HN THR 2 15.728 -22.227 -2.248 2 HA THR 2 HA THR 2 17.011 -20.550 -2.875 3 HB THR 2 HB THR 2 15.710 -20.670 -5.609 4 HG1 THR 2 1HG THR 2 17.754 -21.881 -5.935 5 HG21 THR 2 1HG2 THR 2 17.095 -18.620 -5.124 6 HG22 THR 2 2HG2 THR 2 17.803 -19.667 -6.365 7 HG23 THR 2 3HG2 THR 2 18.433 -19.701 -4.702 8 H SER 3 HN SER 3 14.278 -19.445 -4.801 9 HA SER 3 HA SER 3 13.603 -17.405 -2.758 10 HB2 SER 3 2HB SER 3 14.082 -16.786 -5.709 11 HB3 SER 3 3HB SER 3 13.397 -15.667 -4.520 12 HG SER 3 HG SER 3 15.379 -16.091 -3.265 13 H LEU 4 HN LEU 4 11.493 -16.257 -3.590 14 HA LEU 4 HA LEU 4 9.636 -18.429 -4.433 15 HB2 LEU 4 2HB LEU 4 8.992 -16.125 -2.568 16 HB3 LEU 4 3HB LEU 4 7.953 -17.471 -3.002 17 HG LEU 4 HG LEU 4 10.548 -17.710 -1.416 18 HD11 LEU 4 1HD1 LEU 4 9.116 -18.090 0.514 19 HD12 LEU 4 2HD1 LEU 4 7.656 -17.851 -0.481 20 HD13 LEU 4 3HD1 LEU 4 8.784 -16.506 -0.196 21 HD21 LEU 4 1HD2 LEU 4 9.781 -19.995 -0.895 22 HD22 LEU 4 2HD2 LEU 4 10.022 -19.809 -2.637 23 HD23 LEU 4 3HD2 LEU 4 8.381 -19.784 -1.973 24 H GLN 5 HN GLN 5 11.154 -16.250 -5.963 25 HA GLN 5 HA GLN 5 10.861 -14.638 -7.494 26 HB2 GLN 5 2HB GLN 5 9.409 -15.346 -9.379 27 HB3 GLN 5 3HB GLN 5 10.664 -16.463 -8.842 28 HG2 GLN 5 2HG GLN 5 9.099 -17.892 -7.756 29 HG3 GLN 5 3HG GLN 5 7.799 -16.703 -7.910 30 HE21 GLN 5 1HE2 GLN 5 6.400 -18.225 -8.959 31 HE22 GLN 5 2HE2 GLN 5 6.655 -18.667 -10.622 32 H LEU 6 HN LEU 6 10.231 -13.038 -5.943 33 HA LEU 6 HA LEU 6 7.357 -12.286 -6.002 34 HB2 LEU 6 2HB LEU 6 7.211 -12.010 -3.719 35 HB3 LEU 6 3HB LEU 6 7.650 -13.650 -4.123 36 HG LEU 6 HG LEU 6 8.702 -12.914 -2.084 37 HD11 LEU 6 1HD1 LEU 6 10.970 -13.100 -4.083 38 HD12 LEU 6 2HD1 LEU 6 9.975 -14.481 -3.617 39 HD13 LEU 6 3HD1 LEU 6 10.950 -13.634 -2.404 40 HD21 LEU 6 1HD2 LEU 6 8.811 -10.511 -2.681 41 HD22 LEU 6 2HD2 LEU 6 10.198 -10.859 -3.713 42 HD23 LEU 6 3HD2 LEU 6 10.321 -11.129 -1.953 43 H SER 7 HN SER 7 9.772 -11.161 -7.366 44 HA SER 7 HA SER 7 10.329 -8.569 -6.369 45 HB2 SER 7 2HB SER 7 10.165 -9.517 -9.265 46 HB3 SER 7 3HB SER 7 10.982 -8.063 -8.683 47 HG SER 7 HG SER 7 12.618 -9.256 -8.391 48 H ILE 8 HN ILE 8 8.466 -7.414 -5.641 49 HA ILE 8 HA ILE 8 6.750 -6.415 -7.878 50 HB ILE 8 HB ILE 8 6.165 -6.003 -4.976 51 HG12 ILE 8 2HG1 ILE 8 6.174 -8.402 -4.993 52 HG13 ILE 8 3HG1 ILE 8 4.518 -7.839 -4.950 53 HG21 ILE 8 1HG2 ILE 8 4.856 -4.621 -6.480 54 HG22 ILE 8 2HG2 ILE 8 4.465 -6.027 -7.500 55 HG23 ILE 8 3HG2 ILE 8 3.786 -5.878 -5.884 56 HD11 ILE 8 1HD1 ILE 8 5.938 -9.115 -7.287 57 HD12 ILE 8 2HD1 ILE 8 4.532 -9.684 -6.369 58 HD13 ILE 8 3HD1 ILE 8 4.380 -8.279 -7.424 59 H VAL 9 HN VAL 9 6.412 -4.075 -7.855 60 HA VAL 9 HA VAL 9 8.878 -2.682 -6.999 61 HB VAL 9 HB VAL 9 8.572 -1.495 -9.261 62 HG11 VAL 9 1HG1 VAL 9 9.560 -3.368 -10.566 63 HG12 VAL 9 2HG1 VAL 9 10.313 -3.137 -8.985 64 HG13 VAL 9 3HG1 VAL 9 9.180 -4.479 -9.241 65 HG21 VAL 9 1HG2 VAL 9 7.278 -2.488 -10.996 66 HG22 VAL 9 2HG2 VAL 9 6.875 -3.907 -10.019 67 HG23 VAL 9 3HG2 VAL 9 6.168 -2.334 -9.622 68 H HIS 10 HN HIS 10 8.542 -0.168 -7.544 69 HA HIS 10 HA HIS 10 6.211 0.858 -6.031 70 HB2 HIS 10 2HB HIS 10 7.587 2.948 -6.070 71 HB3 HIS 10 3HB HIS 10 8.425 1.602 -5.298 72 HD1 HIS 10 1HD HIS 10 10.697 0.857 -6.497 73 HD2 HIS 10 2HD HIS 10 8.417 3.786 -8.442 74 HE1 HIS 10 1HE HIS 10 12.116 1.672 -8.485 75 H ARG 11 HN ARG 11 5.270 2.994 -7.012 76 HA ARG 11 HA ARG 11 5.490 3.066 -10.001 77 HB2 ARG 11 2HB ARG 11 3.158 2.550 -9.273 78 HB3 ARG 11 3HB ARG 11 3.137 3.962 -8.257 79 HG2 ARG 11 2HG ARG 11 3.177 5.450 -10.124 80 HG3 ARG 11 3HG ARG 11 3.741 4.196 -11.224 81 HD2 ARG 11 2HD ARG 11 1.119 3.690 -9.885 82 HD3 ARG 11 3HD ARG 11 1.146 5.040 -11.027 83 HE ARG 11 HE ARG 11 2.321 3.226 -12.548 84 HH11 ARG 11 1HH1 ARG 11 -0.683 3.087 -10.635 85 HH12 ARG 11 2HH1 ARG 11 -1.386 1.842 -11.602 86 HH21 ARG 11 1HH2 ARG 11 1.406 1.521 -13.796 87 HH22 ARG 11 2HH2 ARG 11 -0.176 0.906 -13.398 88 H LEU 12 HN LEU 12 4.180 5.498 -7.797 89 HA LEU 12 HA LEU 12 6.497 7.160 -7.722 90 HB2 LEU 12 2HB LEU 12 5.910 7.837 -9.960 91 HB3 LEU 12 3HB LEU 12 4.215 8.075 -9.511 92 HG LEU 12 HG LEU 12 4.793 9.958 -8.047 93 HD11 LEU 12 1HD1 LEU 12 7.673 9.236 -8.640 94 HD12 LEU 12 2HD1 LEU 12 6.887 9.303 -7.051 95 HD13 LEU 12 3HD1 LEU 12 7.156 10.795 -7.939 96 HD21 LEU 12 1HD2 LEU 12 6.422 10.346 -10.549 97 HD22 LEU 12 2HD2 LEU 12 5.558 11.567 -9.600 98 HD23 LEU 12 3HD2 LEU 12 4.648 10.371 -10.533 99 HA PRO 13 HA PRO 13 3.430 7.832 -4.344 100 HB2 PRO 13 2HB PRO 13 5.193 7.685 -2.264 101 HB3 PRO 13 3HB PRO 13 4.549 6.200 -3.053 102 HG2 PRO 13 2HG PRO 13 7.123 7.668 -3.555 103 HG3 PRO 13 3HG PRO 13 6.927 5.919 -3.230 104 HD2 PRO 13 2HD PRO 13 7.165 7.008 -5.739 105 HD3 PRO 13 3HD PRO 13 6.162 5.560 -5.457 106 H GLN 14 HN GLN 14 3.154 9.851 -3.387 107 HA GLN 14 HA GLN 14 5.351 11.707 -2.998 108 HB2 GLN 14 2HB GLN 14 4.355 12.007 -5.451 109 HB3 GLN 14 3HB GLN 14 3.025 12.821 -4.622 110 HG2 GLN 14 2HG GLN 14 4.597 14.464 -3.711 111 HG3 GLN 14 3HG GLN 14 5.983 13.508 -4.241 112 HE21 GLN 14 1HE2 GLN 14 6.982 14.750 -5.728 113 HE22 GLN 14 2HE2 GLN 14 6.224 15.538 -7.103 114 H ASN 15 HN ASN 15 3.819 13.941 -2.280 115 HA ASN 15 HA ASN 15 2.360 12.882 0.064 116 HB2 ASN 15 2HB ASN 15 2.434 15.010 1.017 117 HB3 ASN 15 3HB ASN 15 4.044 14.606 0.463 118 HD21 ASN 15 1HD2 ASN 15 4.630 15.629 -1.947 119 HD22 ASN 15 2HD2 ASN 15 3.963 17.211 -2.113 120 H TYR 16 HN TYR 16 0.328 12.239 -0.528 121 HA TYR 16 HA TYR 16 -1.352 14.300 -1.818 122 HB2 TYR 16 2HB TYR 16 -2.365 12.690 -3.270 123 HB3 TYR 16 3HB TYR 16 -0.642 12.666 -3.566 124 HD1 TYR 16 1HD TYR 16 -3.594 10.837 -2.919 125 HD2 TYR 16 2HD TYR 16 0.695 10.650 -2.512 126 HE1 TYR 16 1HE TYR 16 -3.727 8.397 -2.833 127 HE2 TYR 16 2HE TYR 16 0.573 8.190 -2.396 128 HH TYR 16 HH TYR 16 -2.144 6.407 -1.921 129 H ARG 17 HN ARG 17 -3.690 13.665 -1.527 130 HA ARG 17 HA ARG 17 -4.271 11.764 0.585 131 HB2 ARG 17 2HB ARG 17 -4.716 14.735 0.972 132 HB3 ARG 17 3HB ARG 17 -5.831 13.561 1.688 133 HG2 ARG 17 2HG ARG 17 -3.968 12.402 2.808 134 HG3 ARG 17 3HG ARG 17 -2.840 13.617 2.200 135 HD2 ARG 17 2HD ARG 17 -3.394 15.095 3.805 136 HD3 ARG 17 3HD ARG 17 -5.102 14.893 3.514 137 HE ARG 17 HE ARG 17 -3.420 13.338 5.398 138 HH11 ARG 17 1HH1 ARG 17 -6.675 14.124 4.183 139 HH12 ARG 17 2HH1 ARG 17 -7.514 13.197 5.376 140 HH21 ARG 17 1HH2 ARG 17 -4.549 12.252 7.117 141 HH22 ARG 17 2HH2 ARG 17 -6.268 12.209 7.141 142 H TRP 18 HN TRP 18 -7.040 12.159 0.814 143 HA TRP 18 HA TRP 18 -7.971 11.652 -1.867 144 HB2 TRP 18 2HB TRP 18 -9.666 12.343 0.523 145 HB3 TRP 18 3HB TRP 18 -10.101 11.361 -0.868 146 HD1 TRP 18 1HD TRP 18 -9.885 10.868 2.480 147 HE1 TRP 18 1HE TRP 18 -9.292 8.453 3.151 148 HE3 TRP 18 3HE TRP 18 -7.549 9.342 -1.813 149 HZ2 TRP 18 2HZ TRP 18 -7.903 6.218 2.025 150 HZ3 TRP 18 3HZ TRP 18 -6.514 7.081 -1.945 151 HH2 TRP 18 2HH TRP 18 -6.662 5.538 -0.001 152 H SER 19 HN SER 19 -10.076 13.018 -2.517 153 HA SER 19 HA SER 19 -9.440 15.905 -2.200 154 HB2 SER 19 2HB SER 19 -9.426 14.478 -4.548 155 HB3 SER 19 3HB SER 19 -11.037 15.211 -4.590 156 HG SER 19 HG SER 19 -9.246 16.564 -5.452 157 H ALA 20 HN ALA 20 -11.004 14.488 -0.352 158 HA ALA 20 HA ALA 20 -12.904 14.632 0.865 159 HB1 ALA 20 1HB ALA 20 -13.554 17.027 1.222 160 HB2 ALA 20 2HB ALA 20 -11.798 16.795 1.171 161 HB3 ALA 20 3HB ALA 20 -12.658 17.451 -0.229 162 H GLY 21 HN GLY 21 -13.515 14.099 -2.130 163 HA2 GLY 21 2HA GLY 21 -16.429 14.823 -2.116 164 HA3 GLY 21 1HA GLY 21 -15.403 14.688 -3.557 165 H PHE 22 HN PHE 22 -14.023 12.234 -2.744 166 HA PHE 22 HA PHE 22 -16.178 10.211 -2.718 167 HB2 PHE 22 2HB PHE 22 -14.236 9.838 -4.966 168 HB3 PHE 22 3HB PHE 22 -15.841 9.322 -4.831 169 HD1 PHE 22 1HD PHE 22 -17.514 10.494 -6.115 170 HD2 PHE 22 2HD PHE 22 -13.742 12.461 -5.302 171 HE1 PHE 22 1HE PHE 22 -18.092 12.329 -7.682 172 HE2 PHE 22 2HE PHE 22 -14.290 14.217 -6.893 173 HZ PHE 22 HZ PHE 22 -16.474 14.177 -8.083 174 H ALA 23 HN ALA 23 -14.945 10.182 -0.579 175 HA ALA 23 HA ALA 23 -12.265 9.644 -0.230 176 HB1 ALA 23 1HB ALA 23 -14.569 8.454 1.345 177 HB2 ALA 23 2HB ALA 23 -12.879 8.564 1.891 178 HB3 ALA 23 3HB ALA 23 -13.842 10.035 1.622 179 H GLY 24 HN GLY 24 -14.710 7.151 -1.135 180 HA2 GLY 24 2HA GLY 24 -12.891 5.016 -0.923 181 HA3 GLY 24 1HA GLY 24 -14.406 5.018 -1.838 182 H SER 25 HN SER 25 -13.151 7.372 -3.580 183 HA SER 25 HA SER 25 -11.321 5.697 -5.250 184 HB2 SER 25 2HB SER 25 -13.924 6.922 -6.173 185 HB3 SER 25 3HB SER 25 -12.830 5.971 -7.153 186 HG SER 25 HG SER 25 -14.392 4.587 -6.558 187 H LYS 26 HN LYS 26 -11.164 8.478 -3.814 188 HA LYS 26 HA LYS 26 -10.431 10.028 -6.265 189 HB2 LYS 26 2HB LYS 26 -12.482 10.833 -5.367 190 HB3 LYS 26 3HB LYS 26 -11.713 11.153 -3.802 191 HG2 LYS 26 2HG LYS 26 -11.696 13.217 -4.895 192 HG3 LYS 26 3HG LYS 26 -10.062 12.600 -5.142 193 HD2 LYS 26 2HD LYS 26 -10.980 11.721 -7.432 194 HD3 LYS 26 3HD LYS 26 -12.341 12.812 -7.136 195 HE2 LYS 26 2HE LYS 26 -10.784 14.722 -6.941 196 HE3 LYS 26 3HE LYS 26 -9.408 13.606 -7.087 197 HZ1 LYS 26 1HZ LYS 26 -10.260 13.049 -9.322 198 HZ2 LYS 26 2HZ LYS 26 -9.944 14.679 -9.215 199 HZ3 LYS 26 3HZ LYS 26 -11.476 14.156 -9.143 200 H VAL 27 HN VAL 27 -8.383 10.604 -6.259 201 HA VAL 27 HA VAL 27 -6.967 11.102 -3.723 202 HB VAL 27 HB VAL 27 -4.899 10.334 -5.001 203 HG11 VAL 27 1HG1 VAL 27 -7.056 8.210 -4.564 204 HG12 VAL 27 2HG1 VAL 27 -5.321 7.912 -4.701 205 HG13 VAL 27 3HG1 VAL 27 -5.940 8.869 -3.343 206 HG21 VAL 27 1HG2 VAL 27 -6.888 9.075 -6.949 207 HG22 VAL 27 2HG2 VAL 27 -5.849 10.465 -7.318 208 HG23 VAL 27 3HG2 VAL 27 -5.144 8.886 -6.949 209 H GLU 28 HN GLU 28 -5.329 12.804 -3.882 210 HA GLU 28 HA GLU 28 -4.856 13.978 -6.427 211 HB2 GLU 28 2HB GLU 28 -6.898 15.277 -4.798 212 HB3 GLU 28 3HB GLU 28 -5.485 16.324 -4.851 213 HG2 GLU 28 2HG GLU 28 -5.483 16.296 -7.297 214 HG3 GLU 28 3HG GLU 28 -6.806 15.126 -7.323 215 HA PRO 29 HA PRO 29 -1.105 14.722 -3.951 216 HB2 PRO 29 2HB PRO 29 0.262 16.378 -5.655 217 HB3 PRO 29 3HB PRO 29 0.163 14.603 -5.849 218 HG2 PRO 29 2HG PRO 29 -1.490 16.734 -7.237 219 HG3 PRO 29 3HG PRO 29 -0.723 15.285 -7.945 220 HD2 PRO 29 2HD PRO 29 -3.354 15.346 -7.291 221 HD3 PRO 29 3HD PRO 29 -2.392 13.856 -7.046 222 H ILE 30 HN ILE 30 -0.228 16.372 -2.641 223 HA ILE 30 HA ILE 30 -2.111 18.498 -1.951 224 HB ILE 30 HB ILE 30 0.398 17.294 -0.754 225 HG12 ILE 30 2HG1 ILE 30 -2.391 17.491 0.433 226 HG13 ILE 30 3HG1 ILE 30 -1.936 16.192 -0.661 227 HG21 ILE 30 1HG2 ILE 30 -0.148 18.868 1.273 228 HG22 ILE 30 2HG2 ILE 30 0.591 19.649 -0.115 229 HG23 ILE 30 3HG2 ILE 30 -1.157 19.780 0.134 230 HD11 ILE 30 1HD1 ILE 30 -1.620 15.383 1.551 231 HD12 ILE 30 2HD1 ILE 30 -0.010 15.606 0.849 232 HD13 ILE 30 3HD1 ILE 30 -0.648 16.781 2.022 233 HA PRO 31 HA PRO 31 0.650 21.411 -4.226 234 HB2 PRO 31 2HB PRO 31 -1.129 23.376 -4.745 235 HB3 PRO 31 3HB PRO 31 -1.103 21.877 -5.707 236 HG2 PRO 31 2HG PRO 31 -2.974 22.639 -3.465 237 HG3 PRO 31 3HG PRO 31 -3.340 21.782 -4.992 238 HD2 PRO 31 2HD PRO 31 -2.922 20.535 -2.518 239 HD3 PRO 31 3HD PRO 31 -2.797 19.780 -4.109 240 H GLN 32 HN GLN 32 1.670 21.468 -2.112 241 HA GLN 32 HA GLN 32 2.473 22.540 -0.283 242 HB2 GLN 32 2HB GLN 32 2.645 24.067 -2.345 243 HB3 GLN 32 3HB GLN 32 1.317 24.993 -1.646 244 HG2 GLN 32 2HG GLN 32 2.718 25.514 0.305 245 HG3 GLN 32 3HG GLN 32 4.027 24.500 -0.345 246 HE21 GLN 32 1HE2 GLN 32 5.701 26.096 -1.016 247 HE22 GLN 32 2HE2 GLN 32 5.232 27.452 -2.003 248 H ASN 33 HN ASN 33 -0.580 22.006 -0.245 249 HA ASN 33 HA ASN 33 -1.943 23.823 1.245 250 HB2 ASN 33 2HB ASN 33 -2.248 20.825 1.787 251 HB3 ASN 33 3HB ASN 33 -3.420 22.073 2.123 252 HD21 ASN 33 1HD2 ASN 33 -2.730 23.308 -0.785 253 HD22 ASN 33 2HD2 ASN 33 -3.813 22.285 -1.700 254 H GLY 34 HN GLY 34 0.228 21.327 2.629 255 HA2 GLY 34 2HA GLY 34 1.325 21.360 4.696 256 HA3 GLY 34 1HA GLY 34 0.595 22.922 5.011 257 HA PRO 35 HA PRO 35 -2.699 19.555 6.241 258 HB2 PRO 35 2HB PRO 35 -1.843 16.989 6.612 259 HB3 PRO 35 3HB PRO 35 -2.213 17.641 4.989 260 HG2 PRO 35 2HG PRO 35 0.505 17.441 6.342 261 HG3 PRO 35 3HG PRO 35 0.032 16.909 4.693 262 HD2 PRO 35 2HD PRO 35 1.233 19.279 5.122 263 HD3 PRO 35 3HD PRO 35 -0.019 19.063 3.859 264 H CYS 36 HN CYS 36 -2.873 17.985 8.317 265 HA CYS 36 HA CYS 36 -2.141 19.234 10.674 266 HB2 CYS 36 2HB CYS 36 -2.657 16.326 9.971 267 HB3 CYS 36 3HB CYS 36 -2.401 16.876 11.640 268 HG CYS 36 HG CYS 36 -4.224 18.688 11.660 269 H GLY 37 HN GLY 37 -0.460 16.217 9.592 270 HA2 GLY 37 2HA GLY 37 2.149 17.195 9.574 271 HA3 GLY 37 1HA GLY 37 1.775 16.799 11.260 272 H ASP 38 HN ASP 38 3.269 15.572 8.808 273 HA ASP 38 HA ASP 38 3.749 13.507 7.929 274 HB2 ASP 38 2HB ASP 38 3.622 12.679 10.836 275 HB3 ASP 38 3HB ASP 38 4.628 12.016 9.555 276 H ASN 39 HN ASN 39 1.113 14.006 7.862 277 HA ASN 39 HA ASN 39 -0.220 11.369 8.304 278 HB2 ASN 39 2HB ASN 39 -0.975 13.364 9.680 279 HB3 ASN 39 3HB ASN 39 -1.717 13.999 8.204 280 HD21 ASN 39 1HD2 ASN 39 -2.442 11.061 7.348 281 HD22 ASN 39 2HD2 ASN 39 -3.725 10.620 8.433 282 H SER 40 HN SER 40 1.141 11.371 5.945 283 HA SER 40 HA SER 40 -0.670 12.308 3.796 284 HB2 SER 40 2HB SER 40 1.803 11.088 2.918 285 HB3 SER 40 3HB SER 40 1.151 12.727 2.673 286 HG SER 40 HG SER 40 2.204 13.486 4.327 287 H LEU 41 HN LEU 41 -0.468 10.739 1.775 288 HA LEU 41 HA LEU 41 -1.294 8.020 2.609 289 HB2 LEU 41 2HB LEU 41 -1.999 9.639 0.150 290 HB3 LEU 41 3HB LEU 41 -2.396 7.965 0.409 291 HG LEU 41 HG LEU 41 -3.461 10.332 1.958 292 HD11 LEU 41 1HD1 LEU 41 -4.455 9.725 -0.290 293 HD12 LEU 41 2HD1 LEU 41 -5.606 9.568 1.064 294 HD13 LEU 41 3HD1 LEU 41 -4.834 8.129 0.369 295 HD21 LEU 41 1HD2 LEU 41 -4.886 8.644 3.195 296 HD22 LEU 41 2HD2 LEU 41 -3.187 8.672 3.662 297 HD23 LEU 41 3HD2 LEU 41 -3.790 7.383 2.586 298 H VAL 42 HN VAL 42 -0.452 6.248 1.325 299 HA VAL 42 HA VAL 42 1.616 6.877 -0.662 300 HB VAL 42 HB VAL 42 3.152 5.200 0.205 301 HG11 VAL 42 1HG1 VAL 42 2.571 7.333 2.259 302 HG12 VAL 42 2HG1 VAL 42 4.108 6.471 2.020 303 HG13 VAL 42 3HG1 VAL 42 3.498 7.538 0.756 304 HG21 VAL 42 1HG2 VAL 42 1.190 4.831 2.476 305 HG22 VAL 42 2HG2 VAL 42 2.051 3.636 1.473 306 HG23 VAL 42 3HG2 VAL 42 2.934 4.541 2.688 307 H ALA 43 HN ALA 43 2.140 5.163 -2.134 308 HA ALA 43 HA ALA 43 -0.422 3.862 -2.917 309 HB1 ALA 43 1HB ALA 43 1.873 5.078 -4.537 310 HB2 ALA 43 2HB ALA 43 0.436 4.295 -5.218 311 HB3 ALA 43 3HB ALA 43 0.266 5.782 -4.274 312 H LEU 44 HN LEU 44 -0.385 1.641 -2.992 313 HA LEU 44 HA LEU 44 2.269 0.260 -3.236 314 HB2 LEU 44 2HB LEU 44 -0.073 -0.265 -1.416 315 HB3 LEU 44 3HB LEU 44 0.912 -1.604 -2.010 316 HG LEU 44 HG LEU 44 2.932 -0.680 -1.044 317 HD11 LEU 44 1HD1 LEU 44 2.787 1.635 -1.032 318 HD12 LEU 44 2HD1 LEU 44 2.544 1.273 0.666 319 HD13 LEU 44 3HD1 LEU 44 1.145 1.666 -0.369 320 HD21 LEU 44 1HD2 LEU 44 0.605 -0.817 0.924 321 HD22 LEU 44 2HD2 LEU 44 2.325 -1.080 1.301 322 HD23 LEU 44 3HD2 LEU 44 1.494 -2.204 0.233 323 H LYS 45 HN LYS 45 2.115 0.164 -5.433 324 HA LYS 45 HA LYS 45 -0.088 -1.168 -6.787 325 HB2 LYS 45 2HB LYS 45 1.524 -1.245 -8.704 326 HB3 LYS 45 3HB LYS 45 1.126 0.376 -8.141 327 HG2 LYS 45 2HG LYS 45 3.280 0.868 -7.679 328 HG3 LYS 45 3HG LYS 45 3.536 -0.621 -6.803 329 HD2 LYS 45 2HD LYS 45 5.037 -0.722 -8.544 330 HD3 LYS 45 3HD LYS 45 3.769 -1.833 -9.011 331 HE2 LYS 45 2HE LYS 45 2.942 -0.297 -10.695 332 HE3 LYS 45 3HE LYS 45 3.857 1.034 -9.983 333 HZ1 LYS 45 1HZ LYS 45 5.042 0.435 -11.843 334 HZ2 LYS 45 2HZ LYS 45 5.017 -1.179 -11.504 335 HZ3 LYS 45 3HZ LYS 45 5.894 -0.086 -10.588 336 H LEU 46 HN LEU 46 -0.437 -3.165 -5.797 337 HA LEU 46 HA LEU 46 1.759 -5.114 -5.695 338 HB2 LEU 46 2HB LEU 46 -0.195 -4.904 -4.053 339 HB3 LEU 46 3HB LEU 46 -1.226 -5.540 -5.288 340 HG LEU 46 HG LEU 46 -0.483 -7.077 -3.454 341 HD11 LEU 46 1HD1 LEU 46 0.077 -9.079 -4.836 342 HD12 LEU 46 2HD1 LEU 46 0.138 -8.042 -6.263 343 HD13 LEU 46 3HD1 LEU 46 -1.368 -8.212 -5.330 344 HD21 LEU 46 1HD2 LEU 46 2.214 -7.197 -4.822 345 HD22 LEU 46 2HD2 LEU 46 1.694 -7.992 -3.325 346 HD23 LEU 46 3HD2 LEU 46 1.857 -6.231 -3.361 347 H LEU 47 HN LEU 47 1.905 -6.835 -7.282 348 HA LEU 47 HA LEU 47 0.084 -7.172 -9.380 349 HB2 LEU 47 2HB LEU 47 1.529 -6.796 -11.301 350 HB3 LEU 47 3HB LEU 47 1.016 -5.343 -10.524 351 HG LEU 47 HG LEU 47 3.250 -5.334 -11.538 352 HD11 LEU 47 1HD1 LEU 47 4.373 -4.078 -9.797 353 HD12 LEU 47 2HD1 LEU 47 3.182 -4.648 -8.609 354 HD13 LEU 47 3HD1 LEU 47 2.658 -3.662 -9.971 355 HD21 LEU 47 1HD2 LEU 47 4.095 -7.531 -11.045 356 HD22 LEU 47 2HD2 LEU 47 4.138 -7.188 -9.318 357 HD23 LEU 47 3HD2 LEU 47 5.201 -6.302 -10.430 358 H SER 48 HN SER 48 1.570 -8.808 -11.017 359 HA SER 48 HA SER 48 1.486 -11.193 -9.807 360 HB2 SER 48 2HB SER 48 3.440 -10.379 -11.978 361 HB3 SER 48 3HB SER 48 2.921 -12.034 -11.631 362 HG SER 48 HG SER 48 1.745 -10.162 -13.136 363 HA PRO 49 HA PRO 49 2.409 -13.356 -9.676 364 HB2 PRO 49 2HB PRO 49 2.900 -15.117 -7.695 365 HB3 PRO 49 3HB PRO 49 4.096 -14.817 -8.984 366 HG2 PRO 49 2HG PRO 49 3.942 -13.498 -6.266 367 HG3 PRO 49 3HG PRO 49 5.339 -14.375 -6.955 368 HD2 PRO 49 2HD PRO 49 5.144 -11.669 -7.158 369 HD3 PRO 49 3HD PRO 49 5.722 -12.607 -8.557 370 H ASP 50 HN ASP 50 0.404 -13.857 -9.032 371 HA ASP 50 HA ASP 50 -0.798 -12.414 -6.725 372 HB2 ASP 50 2HB ASP 50 -2.125 -11.034 -8.102 373 HB3 ASP 50 3HB ASP 50 -0.505 -10.892 -8.766 374 H GLY 51 HN GLY 51 -3.457 -12.596 -7.684 375 HA2 GLY 51 2HA GLY 51 -4.666 -14.203 -9.051 376 HA3 GLY 51 1HA GLY 51 -3.955 -15.506 -8.091 377 H ASP 52 HN ASP 52 -6.455 -15.738 -8.072 378 HA ASP 52 HA ASP 52 -8.242 -14.180 -6.710 379 HB2 ASP 52 2HB ASP 52 -8.155 -17.208 -6.390 380 HB3 ASP 52 3HB ASP 52 -9.522 -16.150 -6.073 381 H ASN 53 HN ASN 53 -6.197 -16.683 -5.174 382 HA ASN 53 HA ASN 53 -7.186 -16.362 -2.536 383 HB2 ASN 53 2HB ASN 53 -4.426 -17.265 -3.466 384 HB3 ASN 53 3HB ASN 53 -4.906 -17.184 -1.778 385 HD21 ASN 53 1HD2 ASN 53 -5.181 -19.075 -4.695 386 HD22 ASN 53 2HD2 ASN 53 -6.126 -20.351 -3.970 387 H ALA 54 HN ALA 54 -4.443 -14.690 -4.115 388 HA ALA 54 HA ALA 54 -3.574 -13.315 -1.744 389 HB1 ALA 54 1HB ALA 54 -3.227 -12.592 -4.707 390 HB2 ALA 54 2HB ALA 54 -2.343 -11.870 -3.356 391 HB3 ALA 54 3HB ALA 54 -2.107 -13.590 -3.741 392 H TRP 55 HN TRP 55 -5.841 -12.495 -4.404 393 HA TRP 55 HA TRP 55 -6.569 -9.909 -3.458 394 HB2 TRP 55 2HB TRP 55 -7.769 -11.965 -5.306 395 HB3 TRP 55 3HB TRP 55 -8.822 -10.711 -4.677 396 HD1 TRP 55 1HD TRP 55 -6.461 -11.276 -7.435 397 HE1 TRP 55 1HE TRP 55 -5.975 -9.086 -8.672 398 HE3 TRP 55 3HE TRP 55 -8.154 -7.949 -3.900 399 HZ2 TRP 55 2HZ TRP 55 -6.759 -6.277 -8.386 400 HZ3 TRP 55 3HZ TRP 55 -8.252 -5.563 -4.413 401 HH2 TRP 55 2HH TRP 55 -7.613 -4.693 -6.584 402 H SER 56 HN SER 56 -8.194 -13.106 -2.859 403 HA SER 56 HA SER 56 -10.242 -12.199 -1.257 404 HB2 SER 56 2HB SER 56 -8.664 -14.762 -0.754 405 HB3 SER 56 3HB SER 56 -10.351 -14.431 -0.325 406 HG SER 56 HG SER 56 -10.814 -14.289 -2.575 407 H VAL 57 HN VAL 57 -7.102 -13.446 -0.095 408 HA VAL 57 HA VAL 57 -7.356 -12.783 2.606 409 HB VAL 57 HB VAL 57 -4.870 -13.113 0.828 410 HG11 VAL 57 1HG1 VAL 57 -3.673 -13.773 2.848 411 HG12 VAL 57 2HG1 VAL 57 -4.244 -12.119 3.023 412 HG13 VAL 57 3HG1 VAL 57 -5.100 -13.439 3.867 413 HG21 VAL 57 1HG2 VAL 57 -6.432 -15.122 0.880 414 HG22 VAL 57 2HG2 VAL 57 -4.894 -15.447 1.666 415 HG23 VAL 57 3HG2 VAL 57 -6.341 -15.097 2.636 416 H MET 58 HN MET 58 -5.810 -10.824 -0.067 417 HA MET 58 HA MET 58 -4.837 -8.778 1.592 418 HB2 MET 58 2HB MET 58 -4.280 -9.076 -0.827 419 HB3 MET 58 3HB MET 58 -5.893 -8.506 -1.255 420 HG2 MET 58 2HG MET 58 -5.359 -6.322 -0.215 421 HG3 MET 58 3HG MET 58 -3.804 -6.950 0.332 422 HE1 MET 58 1HE MET 58 -6.077 -5.959 -2.519 423 HE2 MET 58 2HE MET 58 -5.058 -5.837 -3.951 424 HE3 MET 58 3HE MET 58 -5.544 -7.438 -3.349 425 H TYR 59 HN TYR 59 -8.030 -9.013 -0.118 426 HA TYR 59 HA TYR 59 -8.952 -6.528 0.898 427 HB2 TYR 59 2HB TYR 59 -9.958 -7.685 -1.038 428 HB3 TYR 59 3HB TYR 59 -10.593 -8.927 0.040 429 HD1 TYR 59 1HD TYR 59 -12.854 -8.622 0.756 430 HD2 TYR 59 2HD TYR 59 -10.474 -5.168 -0.231 431 HE1 TYR 59 1HE TYR 59 -14.807 -7.119 1.198 432 HE2 TYR 59 2HE TYR 59 -12.368 -3.700 0.190 433 HH TYR 59 HH TYR 59 -14.512 -3.546 0.961 434 H LYS 60 HN LYS 60 -9.297 -9.900 2.199 435 HA LYS 60 HA LYS 60 -10.988 -9.290 4.380 436 HB2 LYS 60 2HB LYS 60 -8.775 -11.346 4.289 437 HB3 LYS 60 3HB LYS 60 -10.095 -11.179 5.447 438 HG2 LYS 60 2HG LYS 60 -11.409 -11.286 2.967 439 HG3 LYS 60 3HG LYS 60 -10.075 -12.412 2.811 440 HD2 LYS 60 2HD LYS 60 -12.228 -12.517 4.930 441 HD3 LYS 60 3HD LYS 60 -12.012 -13.550 3.507 442 HE2 LYS 60 2HE LYS 60 -11.184 -14.905 5.126 443 HE3 LYS 60 3HE LYS 60 -9.720 -14.121 4.456 444 HZ1 LYS 60 1HZ LYS 60 -10.962 -12.892 6.789 445 HZ2 LYS 60 2HZ LYS 60 -9.394 -12.973 6.353 446 HZ3 LYS 60 3HZ LYS 60 -10.103 -14.266 7.047 447 H LEU 61 HN LEU 61 -7.432 -9.460 4.289 448 HA LEU 61 HA LEU 61 -7.001 -8.606 6.957 449 HB2 LEU 61 2HB LEU 61 -5.317 -8.743 4.448 450 HB3 LEU 61 3HB LEU 61 -4.718 -7.788 5.779 451 HG LEU 61 HG LEU 61 -3.839 -10.110 5.732 452 HD11 LEU 61 1HD1 LEU 61 -3.998 -10.518 8.105 453 HD12 LEU 61 2HD1 LEU 61 -5.405 -9.443 8.243 454 HD13 LEU 61 3HD1 LEU 61 -3.813 -8.786 7.781 455 HD21 LEU 61 1HD2 LEU 61 -5.140 -11.988 6.511 456 HD22 LEU 61 2HD2 LEU 61 -5.833 -11.330 5.024 457 HD23 LEU 61 3HD2 LEU 61 -6.608 -10.988 6.590 458 H SER 62 HN SER 62 -7.164 -6.644 3.870 459 HA SER 62 HA SER 62 -6.533 -4.245 5.100 460 HB2 SER 62 2HB SER 62 -7.497 -3.145 3.206 461 HB3 SER 62 3HB SER 62 -6.646 -4.597 2.671 462 HG SER 62 HG SER 62 -8.966 -5.539 2.906 463 H GLN 63 HN GLN 63 -9.855 -5.757 4.804 464 HA GLN 63 HA GLN 63 -11.075 -3.485 6.078 465 HB2 GLN 63 2HB GLN 63 -12.026 -6.341 5.583 466 HB3 GLN 63 3HB GLN 63 -13.040 -5.057 6.242 467 HG2 GLN 63 2HG GLN 63 -11.756 -4.956 3.481 468 HG3 GLN 63 3HG GLN 63 -13.415 -5.420 3.823 469 HE21 GLN 63 1HE2 GLN 63 -15.003 -3.709 3.772 470 HE22 GLN 63 2HE2 GLN 63 -14.535 -2.032 4.032 471 H ALA 64 HN ALA 64 -10.018 -6.711 7.268 472 HA ALA 64 HA ALA 64 -10.960 -6.355 9.913 473 HB1 ALA 64 1HB ALA 64 -10.334 -8.524 8.907 474 HB2 ALA 64 2HB ALA 64 -8.621 -8.032 8.906 475 HB3 ALA 64 3HB ALA 64 -9.491 -8.248 10.444 476 H LEU 65 HN LEU 65 -8.040 -5.104 8.398 477 HA LEU 65 HA LEU 65 -6.858 -4.220 10.954 478 HB2 LEU 65 2HB LEU 65 -6.125 -3.867 8.029 479 HB3 LEU 65 3HB LEU 65 -5.199 -3.132 9.331 480 HG LEU 65 HG LEU 65 -5.659 -6.142 9.275 481 HD11 LEU 65 1HD1 LEU 65 -3.589 -6.556 8.225 482 HD12 LEU 65 2HD1 LEU 65 -3.105 -4.864 8.185 483 HD13 LEU 65 3HD1 LEU 65 -4.448 -5.441 7.161 484 HD21 LEU 65 1HD2 LEU 65 -4.925 -5.102 11.392 485 HD22 LEU 65 2HD2 LEU 65 -3.579 -4.337 10.552 486 HD23 LEU 65 3HD2 LEU 65 -3.667 -6.116 10.712 487 H SER 66 HN SER 66 -8.602 -2.877 8.192 488 HA SER 66 HA SER 66 -8.271 -0.147 8.769 489 HB2 SER 66 2HB SER 66 -9.027 -1.007 6.590 490 HB3 SER 66 3HB SER 66 -10.491 -1.676 7.338 491 HG SER 66 HG SER 66 -11.080 0.127 6.372 492 H ASP 67 HN ASP 67 -10.749 -2.482 9.665 493 HA ASP 67 HA ASP 67 -12.577 -1.036 11.092 494 HB2 ASP 67 2HB ASP 67 -12.629 -3.448 10.431 495 HB3 ASP 67 3HB ASP 67 -11.467 -3.802 11.708 496 H ILE 68 HN ILE 68 -9.303 -1.691 12.095 497 HA ILE 68 HA ILE 68 -9.839 -1.169 14.925 498 HB ILE 68 HB ILE 68 -7.110 -1.466 13.678 499 HG12 ILE 68 2HG1 ILE 68 -8.173 -3.351 12.782 500 HG13 ILE 68 3HG1 ILE 68 -7.176 -3.871 14.135 501 HG21 ILE 68 1HG2 ILE 68 -7.241 -0.709 15.993 502 HG22 ILE 68 2HG2 ILE 68 -8.241 -2.109 16.418 503 HG23 ILE 68 3HG2 ILE 68 -6.556 -2.336 15.912 504 HD11 ILE 68 1HD1 ILE 68 -9.196 -4.059 15.575 505 HD12 ILE 68 2HD1 ILE 68 -10.217 -3.661 14.172 506 HD13 ILE 68 3HD1 ILE 68 -9.234 -5.122 14.167 507 H GLU 69 HN GLU 69 -7.459 0.171 12.596 508 HA GLU 69 HA GLU 69 -8.264 2.921 13.236 509 HB2 GLU 69 2HB GLU 69 -6.151 3.532 14.254 510 HB3 GLU 69 3HB GLU 69 -6.942 2.252 15.182 511 HG2 GLU 69 2HG GLU 69 -5.531 0.557 14.007 512 HG3 GLU 69 3HG GLU 69 -4.691 1.880 13.188 513 H VAL 70 HN VAL 70 -7.459 0.872 10.787 514 HA VAL 70 HA VAL 70 -5.369 2.662 9.631 515 HB VAL 70 HB VAL 70 -5.561 -0.315 9.159 516 HG11 VAL 70 1HG1 VAL 70 -3.266 1.697 9.020 517 HG12 VAL 70 2HG1 VAL 70 -3.140 -0.013 8.617 518 HG13 VAL 70 3HG1 VAL 70 -4.117 1.049 7.605 519 HG21 VAL 70 1HG2 VAL 70 -3.779 -0.601 10.827 520 HG22 VAL 70 2HG2 VAL 70 -3.922 1.104 11.285 521 HG23 VAL 70 3HG2 VAL 70 -5.268 -0.021 11.592 522 HA PRO 71 HA PRO 71 -8.977 2.587 6.718 523 HB2 PRO 71 2HB PRO 71 -8.971 5.206 5.927 524 HB3 PRO 71 3HB PRO 71 -9.711 4.655 7.449 525 HG2 PRO 71 2HG PRO 71 -6.976 5.866 7.063 526 HG3 PRO 71 3HG PRO 71 -8.208 6.292 8.301 527 HD2 PRO 71 2HD PRO 71 -6.120 4.596 8.831 528 HD3 PRO 71 3HD PRO 71 -7.737 4.338 9.528 529 H CYS 72 HN CYS 72 -8.613 1.796 4.718 530 HA CYS 72 HA CYS 72 -6.320 2.769 3.090 531 HB2 CYS 72 2HB CYS 72 -7.015 -0.169 3.615 532 HB3 CYS 72 3HB CYS 72 -5.783 0.400 2.484 533 HG CYS 72 HG CYS 72 -5.950 1.203 5.699 534 H SER 73 HN SER 73 -6.602 1.749 0.793 535 HA SER 73 HA SER 73 -9.459 1.469 0.045 536 HB2 SER 73 2HB SER 73 -7.837 3.751 -0.527 537 HB3 SER 73 3HB SER 73 -7.934 2.806 -2.024 538 HG SER 73 HG SER 73 -9.651 4.432 -1.544 539 H VAL 74 HN VAL 74 -9.773 -0.198 -1.260 540 HA VAL 74 HA VAL 74 -7.463 -1.594 -2.489 541 HB VAL 74 HB VAL 74 -10.018 -2.795 -1.319 542 HG11 VAL 74 1HG1 VAL 74 -8.760 -4.956 -1.621 543 HG12 VAL 74 2HG1 VAL 74 -9.166 -4.129 -3.125 544 HG13 VAL 74 3HG1 VAL 74 -7.504 -4.061 -2.488 545 HG21 VAL 74 1HG2 VAL 74 -8.814 -2.162 0.604 546 HG22 VAL 74 2HG2 VAL 74 -8.287 -3.822 0.319 547 HG23 VAL 74 3HG2 VAL 74 -7.239 -2.483 -0.144 548 H LEU 75 HN LEU 75 -7.517 -1.049 -4.607 549 HA LEU 75 HA LEU 75 -10.131 -1.066 -6.013 550 HB2 LEU 75 2HB LEU 75 -7.654 0.692 -6.394 551 HB3 LEU 75 3HB LEU 75 -8.895 0.465 -7.625 552 HG LEU 75 HG LEU 75 -10.604 1.322 -6.067 553 HD11 LEU 75 1HD1 LEU 75 -9.555 1.194 -3.862 554 HD12 LEU 75 2HD1 LEU 75 -9.907 2.860 -4.233 555 HD13 LEU 75 3HD1 LEU 75 -8.232 2.257 -4.392 556 HD21 LEU 75 1HD2 LEU 75 -9.581 2.707 -7.867 557 HD22 LEU 75 2HD2 LEU 75 -8.336 3.263 -6.731 558 HD23 LEU 75 3HD2 LEU 75 -10.036 3.694 -6.477 559 H GLU 76 HN GLU 76 -10.358 -2.336 -7.672 560 HA GLU 76 HA GLU 76 -8.103 -4.071 -8.510 561 HB2 GLU 76 2HB GLU 76 -9.828 -5.687 -9.098 562 HB3 GLU 76 3HB GLU 76 -9.952 -5.276 -7.405 563 HG2 GLU 76 2HG GLU 76 -11.754 -4.073 -9.537 564 HG3 GLU 76 3HG GLU 76 -12.123 -5.537 -8.627 565 H CYS 77 HN CYS 77 -7.738 -4.392 -10.662 566 HA CYS 77 HA CYS 77 -8.856 -2.657 -12.717 567 HB2 CYS 77 2HB CYS 77 -6.194 -2.088 -11.322 568 HB3 CYS 77 3HB CYS 77 -6.527 -1.564 -12.967 569 HG CYS 77 HG CYS 77 -8.672 -0.962 -10.574 570 H GLU 78 HN GLU 78 -9.084 -4.841 -13.484 571 HA GLU 78 HA GLU 78 -8.682 -6.655 -14.679 572 HB2 GLU 78 2HB GLU 78 -6.164 -5.211 -15.541 573 HB3 GLU 78 3HB GLU 78 -6.809 -6.660 -16.302 574 HG2 GLU 78 2HG GLU 78 -8.813 -5.489 -17.000 575 HG3 GLU 78 3HG GLU 78 -8.319 -4.020 -16.114 576 H GLY 79 HN GLY 79 -5.444 -5.820 -13.571 577 HA2 GLY 79 2HA GLY 79 -4.994 -8.281 -12.102 578 HA3 GLY 79 1HA GLY 79 -4.127 -8.210 -13.656 579 H GLU 80 HN GLU 80 -4.901 -5.280 -11.780 580 HA GLU 80 HA GLU 80 -2.124 -5.090 -10.756 581 HB2 GLU 80 2HB GLU 80 -3.669 -3.009 -12.340 582 HB3 GLU 80 3HB GLU 80 -2.344 -2.616 -11.232 583 HG2 GLU 80 2HG GLU 80 -0.903 -4.283 -12.497 584 HG3 GLU 80 3HG GLU 80 -2.172 -4.340 -13.731 585 HA PRO 81 HA PRO 81 -5.257 -4.657 -7.379 586 HB2 PRO 81 2HB PRO 81 -3.396 -5.693 -5.489 587 HB3 PRO 81 3HB PRO 81 -4.782 -6.521 -6.198 588 HG2 PRO 81 2HG PRO 81 -1.911 -6.688 -7.008 589 HG3 PRO 81 3HG PRO 81 -3.178 -7.935 -7.115 590 HD2 PRO 81 2HD PRO 81 -2.236 -6.541 -9.250 591 HD3 PRO 81 3HD PRO 81 -3.934 -7.092 -9.151 592 H CYS 82 HN CYS 82 -5.269 -2.435 -7.360 593 HA CYS 82 HA CYS 82 -2.862 -0.920 -6.603 594 HB2 CYS 82 2HB CYS 82 -5.691 0.005 -7.249 595 HB3 CYS 82 3HB CYS 82 -4.230 1.014 -7.178 596 HG CYS 82 HG CYS 82 -2.991 -0.085 -9.177 597 H LEU 83 HN LEU 83 -2.456 -1.017 -4.387 598 HA LEU 83 HA LEU 83 -4.778 -0.647 -2.525 599 HB2 LEU 83 2HB LEU 83 -2.512 -2.425 -2.484 600 HB3 LEU 83 3HB LEU 83 -2.160 -1.198 -1.295 601 HG LEU 83 HG LEU 83 -3.196 -3.150 -0.301 602 HD11 LEU 83 1HD1 LEU 83 -4.868 -2.153 1.061 603 HD12 LEU 83 2HD1 LEU 83 -5.149 -0.859 -0.108 604 HD13 LEU 83 3HD1 LEU 83 -3.600 -0.962 0.749 605 HD21 LEU 83 1HD2 LEU 83 -5.415 -3.931 -0.820 606 HD22 LEU 83 2HD2 LEU 83 -4.528 -3.802 -2.342 607 HD23 LEU 83 3HD2 LEU 83 -5.696 -2.565 -1.920 608 H PHE 84 HN PHE 84 -4.709 0.908 -1.024 609 HA PHE 84 HA PHE 84 -2.742 3.126 -1.328 610 HB2 PHE 84 2HB PHE 84 -5.795 3.175 -1.224 611 HB3 PHE 84 3HB PHE 84 -4.814 4.600 -1.096 612 HD1 PHE 84 1HD PHE 84 -5.838 1.856 -3.429 613 HD2 PHE 84 2HD PHE 84 -3.957 5.715 -3.028 614 HE1 PHE 84 1HE PHE 84 -5.852 2.121 -5.877 615 HE2 PHE 84 2HE PHE 84 -3.969 5.972 -5.489 616 HZ PHE 84 HZ PHE 84 -4.928 4.176 -6.929 617 H VAL 85 HN VAL 85 -1.866 3.478 0.614 618 HA VAL 85 HA VAL 85 -3.344 2.850 3.123 619 HB VAL 85 HB VAL 85 -0.745 2.518 3.805 620 HG11 VAL 85 1HG1 VAL 85 -2.482 0.945 4.232 621 HG12 VAL 85 2HG1 VAL 85 -2.596 0.452 2.538 622 HG13 VAL 85 3HG1 VAL 85 -1.129 0.073 3.496 623 HG21 VAL 85 1HG2 VAL 85 -0.731 1.278 1.048 624 HG22 VAL 85 2HG2 VAL 85 0.062 2.817 1.441 625 HG23 VAL 85 3HG2 VAL 85 0.562 1.336 2.266 626 H ASN 86 HN ASN 86 -2.078 4.145 5.075 627 HA ASN 86 HA ASN 86 -2.127 6.934 4.141 628 HB2 ASN 86 2HB ASN 86 -1.856 5.722 6.904 629 HB3 ASN 86 3HB ASN 86 -1.776 7.426 6.556 630 HD21 ASN 86 1HD2 ASN 86 -3.830 4.667 6.839 631 HD22 ASN 86 2HD2 ASN 86 -5.343 5.415 6.417 632 H ARG 87 HN ARG 87 0.026 5.707 6.567 633 HA ARG 87 HA ARG 87 2.369 6.162 4.720 634 HB2 ARG 87 2HB ARG 87 1.840 8.359 5.849 635 HB3 ARG 87 3HB ARG 87 2.195 7.604 7.401 636 HG2 ARG 87 2HG ARG 87 4.258 8.518 6.911 637 HG3 ARG 87 3HG ARG 87 4.480 6.931 6.209 638 HD2 ARG 87 2HD ARG 87 3.732 7.994 3.981 639 HD3 ARG 87 3HD ARG 87 3.867 9.556 4.791 640 HE ARG 87 HE ARG 87 6.220 8.050 5.305 641 HH11 ARG 87 1HH1 ARG 87 4.761 9.687 2.397 642 HH12 ARG 87 2HH1 ARG 87 6.333 9.893 1.708 643 HH21 ARG 87 1HH2 ARG 87 8.197 8.439 4.288 644 HH22 ARG 87 2HH2 ARG 87 8.246 9.038 2.688 645 H GLN 88 HN GLN 88 2.043 5.670 8.201 646 HA GLN 88 HA GLN 88 4.308 3.776 8.160 647 HB2 GLN 88 2HB GLN 88 3.308 3.282 10.604 648 HB3 GLN 88 3HB GLN 88 4.406 4.575 10.233 649 HG2 GLN 88 2HG GLN 88 1.447 5.172 10.114 650 HG3 GLN 88 3HG GLN 88 2.180 4.892 11.658 651 HE21 GLN 88 1HE2 GLN 88 1.248 7.435 9.982 652 HE22 GLN 88 2HE2 GLN 88 2.492 8.605 10.446 653 H ASP 89 HN ASP 89 0.946 3.583 7.746 654 HA ASP 89 HA ASP 89 0.229 1.029 8.340 655 HB2 ASP 89 2HB ASP 89 -0.675 2.480 5.871 656 HB3 ASP 89 3HB ASP 89 -1.572 1.299 6.785 657 H GLU 90 HN GLU 90 2.270 2.172 5.768 658 HA GLU 90 HA GLU 90 2.062 -0.010 3.949 659 HB2 GLU 90 2HB GLU 90 2.909 2.195 3.336 660 HB3 GLU 90 3HB GLU 90 4.251 2.064 4.474 661 HG2 GLU 90 2HG GLU 90 3.915 0.020 2.298 662 HG3 GLU 90 3HG GLU 90 4.586 1.605 1.908 663 H PHE 91 HN PHE 91 4.619 0.985 6.144 664 HA PHE 91 HA PHE 91 6.157 -1.273 6.316 665 HB2 PHE 91 2HB PHE 91 6.969 0.681 7.000 666 HB3 PHE 91 3HB PHE 91 5.665 1.087 8.139 667 HD1 PHE 91 1HD PHE 91 5.588 -0.363 10.310 668 HD2 PHE 91 2HD PHE 91 9.073 0.104 7.799 669 HE1 PHE 91 1HE PHE 91 7.065 -0.914 12.227 670 HE2 PHE 91 2HE PHE 91 10.520 -0.494 9.713 671 HZ PHE 91 HZ PHE 91 9.514 -1.016 11.921 672 H ALA 92 HN ALA 92 3.460 -0.382 8.241 673 HA ALA 92 HA ALA 92 3.511 -2.639 10.059 674 HB1 ALA 92 1HB ALA 92 1.180 -2.055 10.604 675 HB2 ALA 92 2HB ALA 92 2.213 -0.605 10.562 676 HB3 ALA 92 3HB ALA 92 1.118 -0.961 9.200 677 H ALA 93 HN ALA 93 1.518 -2.109 7.087 678 HA ALA 93 HA ALA 93 0.190 -4.605 7.091 679 HB1 ALA 93 1HB ALA 93 0.970 -2.800 4.748 680 HB2 ALA 93 2HB ALA 93 -0.155 -4.183 4.673 681 HB3 ALA 93 3HB ALA 93 -0.536 -2.799 5.689 682 H THR 94 HN THR 94 3.297 -3.613 5.379 683 HA THR 94 HA THR 94 3.711 -6.209 4.266 684 HB THR 94 HB THR 94 4.841 -4.300 3.343 685 HG1 THR 94 1HG THR 94 7.051 -5.180 3.505 686 HG21 THR 94 1HG2 THR 94 6.579 -4.176 5.834 687 HG22 THR 94 2HG2 THR 94 5.381 -2.968 5.307 688 HG23 THR 94 3HG2 THR 94 6.789 -3.256 4.320 689 H CYS 95 HN CYS 95 4.927 -4.789 7.363 690 HA CYS 95 HA CYS 95 6.472 -6.901 8.232 691 HB2 CYS 95 2HB CYS 95 6.260 -4.681 9.347 692 HB3 CYS 95 3HB CYS 95 4.645 -5.120 9.911 693 HG CYS 95 HG CYS 95 6.337 -5.230 11.844 694 H ARG 96 HN ARG 96 2.925 -6.501 8.806 695 HA ARG 96 HA ARG 96 2.797 -9.173 10.025 696 HB2 ARG 96 2HB ARG 96 0.179 -8.689 9.579 697 HB3 ARG 96 3HB ARG 96 1.085 -8.252 11.003 698 HG2 ARG 96 2HG ARG 96 1.249 -6.002 10.298 699 HG3 ARG 96 3HG ARG 96 0.657 -6.373 8.653 700 HD2 ARG 96 2HD ARG 96 -1.520 -6.461 9.311 701 HD3 ARG 96 3HD ARG 96 -1.144 -7.198 10.860 702 HE ARG 96 HE ARG 96 -0.763 -4.310 10.224 703 HH11 ARG 96 1HH1 ARG 96 -1.841 -6.809 12.534 704 HH12 ARG 96 2HH1 ARG 96 -2.206 -5.691 13.783 705 HH21 ARG 96 1HH2 ARG 96 -1.138 -2.842 11.921 706 HH22 ARG 96 2HH2 ARG 96 -1.626 -3.382 13.497 707 H LEU 97 HN LEU 97 1.753 -7.941 6.802 708 HA LEU 97 HA LEU 97 0.525 -10.426 6.128 709 HB2 LEU 97 2HB LEU 97 1.418 -8.058 4.477 710 HB3 LEU 97 3HB LEU 97 0.791 -9.505 3.740 711 HG LEU 97 HG LEU 97 -0.773 -7.499 4.153 712 HD11 LEU 97 1HD1 LEU 97 -1.658 -10.351 4.716 713 HD12 LEU 97 2HD1 LEU 97 -1.382 -9.632 3.115 714 HD13 LEU 97 3HD1 LEU 97 -2.673 -9.003 4.121 715 HD21 LEU 97 1HD2 LEU 97 -0.522 -7.290 6.602 716 HD22 LEU 97 2HD2 LEU 97 -1.205 -8.922 6.809 717 HD23 LEU 97 3HD2 LEU 97 -2.184 -7.611 6.113 718 H LYS 98 HN LYS 98 3.953 -9.404 5.865 719 HA LYS 98 HA LYS 98 4.794 -11.479 4.143 720 HB2 LYS 98 2HB LYS 98 6.125 -9.796 6.201 721 HB3 LYS 98 3HB LYS 98 6.803 -11.414 6.058 722 HG2 LYS 98 2HG LYS 98 8.127 -10.432 4.538 723 HG3 LYS 98 3HG LYS 98 6.782 -10.843 3.459 724 HD2 LYS 98 2HD LYS 98 5.824 -8.536 4.102 725 HD3 LYS 98 3HD LYS 98 7.399 -8.160 4.790 726 HE2 LYS 98 2HE LYS 98 7.310 -9.247 1.974 727 HE3 LYS 98 3HE LYS 98 6.554 -7.679 2.297 728 HZ1 LYS 98 1HZ LYS 98 8.766 -7.383 1.584 729 HZ2 LYS 98 2HZ LYS 98 9.383 -8.286 2.844 730 HZ3 LYS 98 3HZ LYS 98 8.608 -6.845 3.115 731 H ASN 99 HN ASN 99 3.966 -11.685 7.641 732 HA ASN 99 HA ASN 99 4.669 -14.507 7.857 733 HB2 ASN 99 2HB ASN 99 3.297 -12.597 9.730 734 HB3 ASN 99 3HB ASN 99 3.415 -14.313 10.065 735 HD21 ASN 99 1HD2 ASN 99 4.633 -12.027 11.537 736 HD22 ASN 99 2HD2 ASN 99 6.366 -12.361 11.555 737 H PHE 100 HN PHE 100 1.927 -12.865 6.563 738 HA PHE 100 HA PHE 100 0.115 -15.158 6.897 739 HB2 PHE 100 2HB PHE 100 -0.132 -12.511 5.484 740 HB3 PHE 100 3HB PHE 100 -1.148 -13.860 5.027 741 HD1 PHE 100 1HD PHE 100 -0.056 -11.952 8.105 742 HD2 PHE 100 2HD PHE 100 -3.092 -14.403 6.254 743 HE1 PHE 100 1HE PHE 100 -1.512 -11.641 10.075 744 HE2 PHE 100 2HE PHE 100 -4.546 -14.072 8.224 745 HZ PHE 100 HZ PHE 100 -3.775 -12.688 10.140 746 H GLY 101 HN GLY 101 2.918 -14.504 5.096 747 HA2 GLY 101 2HA GLY 101 4.025 -15.994 3.784 748 HA3 GLY 101 1HA GLY 101 2.619 -17.052 3.801 749 H VAL 102 HN VAL 102 2.141 -13.723 2.754 750 HA VAL 102 HA VAL 102 1.706 -14.724 0.004 751 HB VAL 102 HB VAL 102 0.326 -12.685 -0.270 752 HG11 VAL 102 1HG1 VAL 102 -1.567 -13.489 1.037 753 HG12 VAL 102 2HG1 VAL 102 -0.648 -14.856 0.392 754 HG13 VAL 102 3HG1 VAL 102 -0.485 -14.412 2.105 755 HG21 VAL 102 1HG2 VAL 102 -0.398 -11.376 1.637 756 HG22 VAL 102 2HG2 VAL 102 0.676 -12.270 2.728 757 HG23 VAL 102 3HG2 VAL 102 1.350 -11.243 1.435 758 H ALA 103 HN ALA 103 2.231 -13.256 -1.775 759 HA ALA 103 HA ALA 103 4.852 -11.961 -1.593 760 HB1 ALA 103 1HB ALA 103 2.732 -11.916 -3.797 761 HB2 ALA 103 2HB ALA 103 4.386 -11.294 -3.938 762 HB3 ALA 103 3HB ALA 103 4.115 -13.033 -3.711 763 H ILE 104 HN ILE 104 5.107 -9.580 -2.012 764 HA ILE 104 HA ILE 104 2.920 -7.880 -1.009 765 HB ILE 104 HB ILE 104 5.693 -8.158 0.228 766 HG12 ILE 104 2HG1 ILE 104 4.251 -10.028 0.963 767 HG13 ILE 104 3HG1 ILE 104 4.736 -8.974 2.252 768 HG21 ILE 104 1HG2 ILE 104 3.445 -6.230 0.873 769 HG22 ILE 104 2HG2 ILE 104 4.742 -6.592 2.007 770 HG23 ILE 104 3HG2 ILE 104 5.129 -5.860 0.450 771 HD11 ILE 104 1HD1 ILE 104 2.454 -9.665 2.469 772 HD12 ILE 104 2HD1 ILE 104 2.562 -7.905 2.354 773 HD13 ILE 104 3HD1 ILE 104 1.999 -8.852 0.955 774 H ALA 105 HN ALA 105 3.376 -5.690 -1.480 775 HA ALA 105 HA ALA 105 4.572 -5.097 -3.918 776 HB1 ALA 105 1HB ALA 105 3.970 -2.791 -3.418 777 HB2 ALA 105 2HB ALA 105 2.693 -3.876 -2.866 778 HB3 ALA 105 3HB ALA 105 3.826 -3.186 -1.683 779 H GLU 106 HN GLU 106 5.901 -2.606 -3.407 780 HA GLU 106 HA GLU 106 8.615 -3.199 -3.271 781 HB2 GLU 106 2HB GLU 106 8.835 -0.775 -2.668 782 HB3 GLU 106 3HB GLU 106 7.854 -1.086 -4.112 783 HG2 GLU 106 2HG GLU 106 5.804 -0.677 -2.947 784 HG3 GLU 106 3HG GLU 106 6.581 -0.715 -1.361 785 HA PRO 107 HA PRO 107 9.364 -3.804 1.076 786 HB2 PRO 107 2HB PRO 107 11.972 -3.040 1.352 787 HB3 PRO 107 3HB PRO 107 11.486 -4.505 0.437 788 HG2 PRO 107 2HG PRO 107 12.158 -1.762 -0.654 789 HG3 PRO 107 3HG PRO 107 12.735 -3.361 -1.242 790 HD2 PRO 107 2HD PRO 107 10.640 -2.042 -2.388 791 HD3 PRO 107 3HD PRO 107 10.688 -3.827 -2.283 792 H PHE 108 HN PHE 108 9.328 -2.682 3.010 793 HA PHE 108 HA PHE 108 8.968 0.137 3.141 794 HB2 PHE 108 2HB PHE 108 8.903 -0.159 5.565 795 HB3 PHE 108 3HB PHE 108 7.892 -1.252 4.703 796 HD1 PHE 108 1HD PHE 108 11.195 -2.671 4.472 797 HD2 PHE 108 2HD PHE 108 7.845 -2.078 7.101 798 HE1 PHE 108 1HE PHE 108 11.908 -4.611 5.804 799 HE2 PHE 108 2HE PHE 108 8.492 -4.100 8.388 800 HZ PHE 108 HZ PHE 108 10.523 -5.384 7.738 801 H SER 109 HN SER 109 11.073 0.507 1.803 802 HA SER 109 HA SER 109 13.443 0.726 3.584 803 HB2 SER 109 2HB SER 109 13.034 0.955 0.613 804 HB3 SER 109 3HB SER 109 14.408 1.739 1.440 805 HG SER 109 HG SER 109 15.258 -0.153 1.807 806 H ASN 110 HN ASN 110 14.469 2.552 3.929 807 HA ASN 110 HA ASN 110 12.996 4.931 4.547 808 HB2 ASN 110 2HB ASN 110 14.846 3.761 5.792 809 HB3 ASN 110 3HB ASN 110 15.871 4.480 4.570 810 HD21 ASN 110 1HD2 ASN 110 16.978 5.669 6.471 811 HD22 ASN 110 2HD2 ASN 110 16.183 7.152 6.959 812 H TYR 111 HN TYR 111 14.357 6.998 4.029 813 HA TYR 111 HA TYR 111 15.068 8.597 2.707 814 HB2 TYR 111 2HB TYR 111 17.151 8.082 1.463 815 HB3 TYR 111 3HB TYR 111 17.114 7.446 3.086 816 HD1 TYR 111 1HD TYR 111 17.812 5.261 3.471 817 HD2 TYR 111 2HD TYR 111 16.429 6.333 -0.479 818 HE1 TYR 111 1HE TYR 111 18.213 2.959 2.709 819 HE2 TYR 111 2HE TYR 111 16.831 4.037 -1.250 820 HH TYR 111 HH TYR 111 17.403 1.883 -0.624 821 H ASN 112 HN ASN 112 12.814 7.211 1.516 822 HA ASN 112 HA ASN 112 11.513 7.399 -0.380 823 HB2 ASN 112 2HB ASN 112 13.382 9.474 -1.555 824 HB3 ASN 112 3HB ASN 112 11.710 9.224 -1.887 825 HD21 ASN 112 1HD2 ASN 112 14.026 10.652 0.214 826 HD22 ASN 112 2HD2 ASN 112 12.946 11.511 1.288 827 HA PRO 113 HA PRO 113 14.742 4.743 -2.321 828 HB2 PRO 113 2HB PRO 113 13.461 2.330 -2.276 829 HB3 PRO 113 3HB PRO 113 14.235 3.081 -0.851 830 HG2 PRO 113 2HG PRO 113 11.300 3.011 -1.547 831 HG3 PRO 113 3HG PRO 113 12.117 2.759 0.040 832 HD2 PRO 113 2HD PRO 113 10.989 5.162 -0.795 833 HD3 PRO 113 3HD PRO 113 12.261 5.009 0.436 834 H PHE 114 HN PHE 114 11.636 5.589 -3.214 835 HA PHE 114 HA PHE 114 11.343 4.250 -5.780 836 HB2 PHE 114 2HB PHE 114 9.398 5.803 -6.005 837 HB3 PHE 114 3HB PHE 114 9.358 4.778 -4.579 838 HD1 PHE 114 1HD PHE 114 9.827 8.242 -5.784 839 HD2 PHE 114 2HD PHE 114 9.506 5.699 -2.325 840 HE1 PHE 114 1HE PHE 114 9.435 10.251 -4.327 841 HE2 PHE 114 2HE PHE 114 9.151 7.687 -0.900 842 HZ PHE 114 HZ PHE 114 9.066 9.966 -1.913 Start of MODEL 15 1 H THR 2 HN THR 2 12.873 -20.367 -2.319 2 HA THR 2 HA THR 2 11.818 -17.764 -2.989 3 HB THR 2 HB THR 2 13.109 -17.218 -0.998 4 HG1 THR 2 1HG THR 2 14.692 -15.800 -2.209 5 HG21 THR 2 1HG2 THR 2 15.524 -17.421 -0.864 6 HG22 THR 2 2HG2 THR 2 15.590 -18.234 -2.438 7 HG23 THR 2 3HG2 THR 2 14.821 -19.032 -1.043 8 H SER 3 HN SER 3 13.039 -16.787 -4.766 9 HA SER 3 HA SER 3 15.114 -18.069 -6.180 10 HB2 SER 3 2HB SER 3 12.403 -17.925 -7.579 11 HB3 SER 3 3HB SER 3 13.939 -18.345 -8.340 12 HG SER 3 HG SER 3 13.472 -19.876 -6.153 13 H LEU 4 HN LEU 4 15.310 -16.767 -8.310 14 HA LEU 4 HA LEU 4 15.442 -13.949 -7.761 15 HB2 LEU 4 2HB LEU 4 15.824 -15.453 -10.379 16 HB3 LEU 4 3HB LEU 4 16.465 -13.867 -9.978 17 HG LEU 4 HG LEU 4 17.298 -16.482 -8.617 18 HD11 LEU 4 1HD1 LEU 4 17.966 -16.493 -10.965 19 HD12 LEU 4 2HD1 LEU 4 19.403 -16.197 -9.969 20 HD13 LEU 4 3HD1 LEU 4 18.628 -14.857 -10.825 21 HD21 LEU 4 1HD2 LEU 4 18.473 -13.672 -8.471 22 HD22 LEU 4 2HD2 LEU 4 19.210 -15.118 -7.766 23 HD23 LEU 4 3HD2 LEU 4 17.654 -14.543 -7.156 24 H GLN 5 HN GLN 5 12.657 -15.248 -7.937 25 HA GLN 5 HA GLN 5 11.454 -13.900 -10.238 26 HB2 GLN 5 2HB GLN 5 10.843 -16.324 -8.853 27 HB3 GLN 5 3HB GLN 5 9.573 -15.209 -8.396 28 HG2 GLN 5 2HG GLN 5 10.441 -15.730 -11.281 29 HG3 GLN 5 3HG GLN 5 9.157 -16.611 -10.452 30 HE21 GLN 5 1HE2 GLN 5 10.035 -13.152 -11.447 31 HE22 GLN 5 2HE2 GLN 5 8.353 -12.696 -11.538 32 H LEU 6 HN LEU 6 9.187 -13.072 -9.108 33 HA LEU 6 HA LEU 6 8.153 -11.287 -8.127 34 HB2 LEU 6 2HB LEU 6 7.705 -11.464 -6.032 35 HB3 LEU 6 3HB LEU 6 7.995 -13.072 -6.611 36 HG LEU 6 HG LEU 6 10.530 -11.974 -5.614 37 HD11 LEU 6 1HD1 LEU 6 8.986 -10.520 -4.543 38 HD12 LEU 6 2HD1 LEU 6 9.879 -11.528 -3.354 39 HD13 LEU 6 3HD1 LEU 6 8.167 -11.889 -3.765 40 HD21 LEU 6 1HD2 LEU 6 8.823 -14.217 -4.516 41 HD22 LEU 6 2HD2 LEU 6 10.590 -14.000 -4.377 42 HD23 LEU 6 3HD2 LEU 6 9.873 -14.383 -5.948 43 H SER 7 HN SER 7 11.189 -10.721 -8.843 44 HA SER 7 HA SER 7 11.862 -8.453 -7.265 45 HB2 SER 7 2HB SER 7 13.420 -9.688 -8.706 46 HB3 SER 7 3HB SER 7 12.618 -9.032 -10.150 47 HG SER 7 HG SER 7 14.243 -7.755 -8.225 48 H ILE 8 HN ILE 8 10.552 -6.932 -6.984 49 HA ILE 8 HA ILE 8 9.765 -5.107 -9.103 50 HB ILE 8 HB ILE 8 7.682 -4.744 -7.368 51 HG12 ILE 8 2HG1 ILE 8 7.864 -7.737 -7.657 52 HG13 ILE 8 3HG1 ILE 8 7.905 -6.787 -6.158 53 HG21 ILE 8 1HG2 ILE 8 6.246 -5.131 -9.092 54 HG22 ILE 8 2HG2 ILE 8 7.721 -4.517 -9.799 55 HG23 ILE 8 3HG2 ILE 8 7.369 -6.267 -9.927 56 HD11 ILE 8 1HD1 ILE 8 5.587 -7.328 -8.055 57 HD12 ILE 8 2HD1 ILE 8 5.718 -7.691 -6.330 58 HD13 ILE 8 3HD1 ILE 8 5.557 -5.988 -6.866 59 H VAL 9 HN VAL 9 10.750 -3.313 -8.618 60 HA VAL 9 HA VAL 9 10.744 -2.271 -5.901 61 HB VAL 9 HB VAL 9 13.365 -2.488 -7.379 62 HG11 VAL 9 1HG1 VAL 9 12.595 -1.310 -4.675 63 HG12 VAL 9 2HG1 VAL 9 14.269 -1.638 -5.154 64 HG13 VAL 9 3HG1 VAL 9 13.337 -0.460 -6.056 65 HG21 VAL 9 1HG2 VAL 9 14.094 -3.947 -5.493 66 HG22 VAL 9 2HG2 VAL 9 12.430 -3.964 -4.879 67 HG23 VAL 9 3HG2 VAL 9 12.829 -4.698 -6.453 68 H HIS 10 HN HIS 10 10.888 0.171 -5.954 69 HA HIS 10 HA HIS 10 11.881 1.312 -8.326 70 HB2 HIS 10 2HB HIS 10 8.991 1.113 -8.270 71 HB3 HIS 10 3HB HIS 10 9.446 2.804 -8.210 72 HD1 HIS 10 1HD HIS 10 12.041 2.689 -10.178 73 HD2 HIS 10 2HD HIS 10 8.216 0.968 -10.776 74 HE1 HIS 10 1HE HIS 10 11.767 2.429 -12.650 75 H ARG 11 HN ARG 11 9.601 2.759 -5.878 76 HA ARG 11 HA ARG 11 11.497 4.036 -4.323 77 HB2 ARG 11 2HB ARG 11 11.239 6.409 -5.172 78 HB3 ARG 11 3HB ARG 11 12.257 5.384 -6.152 79 HG2 ARG 11 2HG ARG 11 9.555 5.188 -7.212 80 HG3 ARG 11 3HG ARG 11 9.895 6.886 -6.926 81 HD2 ARG 11 2HD ARG 11 11.768 5.000 -8.423 82 HD3 ARG 11 3HD ARG 11 10.536 5.992 -9.220 83 HE ARG 11 HE ARG 11 11.739 7.925 -7.915 84 HH11 ARG 11 1HH1 ARG 11 13.332 5.283 -9.768 85 HH12 ARG 11 2HH1 ARG 11 14.692 6.237 -10.166 86 HH21 ARG 11 1HH2 ARG 11 13.455 9.102 -8.424 87 HH22 ARG 11 2HH2 ARG 11 14.521 8.666 -9.702 88 H LEU 12 HN LEU 12 10.427 5.295 -2.725 89 HA LEU 12 HA LEU 12 7.692 4.549 -2.351 90 HB2 LEU 12 2HB LEU 12 9.750 6.070 -0.794 91 HB3 LEU 12 3HB LEU 12 8.087 6.514 -0.478 92 HG LEU 12 HG LEU 12 7.505 4.075 -0.159 93 HD11 LEU 12 1HD1 LEU 12 9.344 2.979 -1.322 94 HD12 LEU 12 2HD1 LEU 12 9.359 2.511 0.366 95 HD13 LEU 12 3HD1 LEU 12 10.538 3.706 -0.229 96 HD21 LEU 12 1HD2 LEU 12 9.568 5.243 1.756 97 HD22 LEU 12 2HD2 LEU 12 8.375 3.974 2.101 98 HD23 LEU 12 3HD2 LEU 12 7.842 5.602 1.712 99 HA PRO 13 HA PRO 13 5.423 7.683 -4.283 100 HB2 PRO 13 2HB PRO 13 3.187 7.997 -2.763 101 HB3 PRO 13 3HB PRO 13 3.576 6.471 -3.616 102 HG2 PRO 13 2HG PRO 13 4.185 7.181 -0.740 103 HG3 PRO 13 3HG PRO 13 3.372 5.707 -1.372 104 HD2 PRO 13 2HD PRO 13 5.975 5.697 -0.766 105 HD3 PRO 13 3HD PRO 13 5.366 4.829 -2.211 106 H GLN 14 HN GLN 14 4.623 9.859 -4.267 107 HA GLN 14 HA GLN 14 5.909 11.755 -2.511 108 HB2 GLN 14 2HB GLN 14 4.733 11.885 -5.024 109 HB3 GLN 14 3HB GLN 14 3.451 12.555 -4.024 110 HG2 GLN 14 2HG GLN 14 4.764 14.395 -4.732 111 HG3 GLN 14 3HG GLN 14 5.194 14.162 -3.046 112 HE21 GLN 14 1HE2 GLN 14 7.407 14.555 -2.820 113 HE22 GLN 14 2HE2 GLN 14 8.622 14.053 -4.011 114 H ASN 15 HN ASN 15 4.354 13.456 -1.402 115 HA ASN 15 HA ASN 15 2.465 12.108 0.452 116 HB2 ASN 15 2HB ASN 15 3.756 14.862 0.224 117 HB3 ASN 15 3HB ASN 15 2.236 14.680 1.065 118 HD21 ASN 15 1HD2 ASN 15 4.897 12.237 1.184 119 HD22 ASN 15 2HD2 ASN 15 5.246 12.591 2.871 120 H TYR 16 HN TYR 16 0.341 11.920 -0.259 121 HA TYR 16 HA TYR 16 -0.819 14.068 -1.892 122 HB2 TYR 16 2HB TYR 16 -1.931 12.538 -3.412 123 HB3 TYR 16 3HB TYR 16 -0.182 12.414 -3.552 124 HD1 TYR 16 1HD TYR 16 0.783 10.314 -1.960 125 HD2 TYR 16 2HD TYR 16 -3.141 10.758 -3.692 126 HE1 TYR 16 1HE TYR 16 0.425 7.936 -1.691 127 HE2 TYR 16 2HE TYR 16 -3.597 8.361 -3.216 128 HH TYR 16 HH TYR 16 -1.542 6.297 -1.294 129 H ARG 17 HN ARG 17 -3.468 13.381 -1.993 130 HA ARG 17 HA ARG 17 -4.267 12.536 0.736 131 HB2 ARG 17 2HB ARG 17 -5.434 14.630 1.129 132 HB3 ARG 17 3HB ARG 17 -3.718 14.934 0.942 133 HG2 ARG 17 2HG ARG 17 -4.014 15.881 -1.247 134 HG3 ARG 17 3HG ARG 17 -5.674 15.309 -1.394 135 HD2 ARG 17 2HD ARG 17 -4.870 17.154 0.849 136 HD3 ARG 17 3HD ARG 17 -5.240 17.779 -0.761 137 HE ARG 17 HE ARG 17 -7.450 16.428 -0.438 138 HH11 ARG 17 1HH1 ARG 17 -5.848 18.187 2.226 139 HH12 ARG 17 2HH1 ARG 17 -7.342 18.641 2.955 140 HH21 ARG 17 1HH2 ARG 17 -9.348 17.442 0.347 141 HH22 ARG 17 2HH2 ARG 17 -9.353 18.022 2.008 142 H TRP 18 HN TRP 18 -6.799 12.702 0.923 143 HA TRP 18 HA TRP 18 -8.009 11.613 -1.523 144 HB2 TRP 18 2HB TRP 18 -9.381 12.612 0.989 145 HB3 TRP 18 3HB TRP 18 -10.065 11.575 -0.252 146 HD1 TRP 18 1HD TRP 18 -9.174 11.306 3.097 147 HE1 TRP 18 1HE TRP 18 -8.345 9.026 3.826 148 HE3 TRP 18 3HE TRP 18 -7.834 9.364 -1.457 149 HZ2 TRP 18 2HZ TRP 18 -7.313 6.613 2.622 150 HZ3 TRP 18 3HZ TRP 18 -6.944 7.080 -1.632 151 HH2 TRP 18 2HH TRP 18 -6.652 5.689 0.418 152 H SER 19 HN SER 19 -9.444 12.819 -2.934 153 HA SER 19 HA SER 19 -9.063 15.713 -2.849 154 HB2 SER 19 2HB SER 19 -9.398 13.855 -4.831 155 HB3 SER 19 3HB SER 19 -11.035 14.480 -4.728 156 HG SER 19 HG SER 19 -10.237 15.864 -6.031 157 H ALA 20 HN ALA 20 -10.760 14.496 -0.647 158 HA ALA 20 HA ALA 20 -12.871 14.663 0.315 159 HB1 ALA 20 1HB ALA 20 -11.636 16.709 0.850 160 HB2 ALA 20 2HB ALA 20 -12.304 17.504 -0.590 161 HB3 ALA 20 3HB ALA 20 -13.380 17.018 0.740 162 H GLY 21 HN GLY 21 -13.807 13.290 -1.491 163 HA2 GLY 21 2HA GLY 21 -16.274 14.427 -2.265 164 HA3 GLY 21 1HA GLY 21 -15.241 14.362 -3.695 165 H PHE 22 HN PHE 22 -13.917 11.801 -2.644 166 HA PHE 22 HA PHE 22 -16.230 9.964 -2.602 167 HB2 PHE 22 2HB PHE 22 -14.044 9.136 -4.443 168 HB3 PHE 22 3HB PHE 22 -15.687 8.631 -4.381 169 HD1 PHE 22 1HD PHE 22 -13.618 11.671 -5.236 170 HD2 PHE 22 2HD PHE 22 -17.221 9.440 -6.020 171 HE1 PHE 22 1HE PHE 22 -13.961 12.998 -7.268 172 HE2 PHE 22 2HE PHE 22 -17.659 10.895 -7.977 173 HZ PHE 22 HZ PHE 22 -16.050 12.689 -8.596 174 H ALA 23 HN ALA 23 -12.906 10.530 -1.756 175 HA ALA 23 HA ALA 23 -11.350 9.459 -0.584 176 HB1 ALA 23 1HB ALA 23 -12.027 8.313 1.464 177 HB2 ALA 23 2HB ALA 23 -12.931 9.827 1.231 178 HB3 ALA 23 3HB ALA 23 -13.709 8.260 0.909 179 H GLY 24 HN GLY 24 -13.600 6.665 -0.601 180 HA2 GLY 24 2HA GLY 24 -11.557 4.767 -0.727 181 HA3 GLY 24 1HA GLY 24 -13.235 4.492 -1.200 182 H SER 25 HN SER 25 -13.174 6.437 -3.362 183 HA SER 25 HA SER 25 -11.405 5.066 -5.370 184 HB2 SER 25 2HB SER 25 -14.279 6.021 -5.680 185 HB3 SER 25 3HB SER 25 -13.300 5.244 -6.929 186 HG SER 25 HG SER 25 -14.783 3.898 -5.812 187 H LYS 26 HN LYS 26 -10.352 7.353 -4.216 188 HA LYS 26 HA LYS 26 -10.363 9.289 -6.396 189 HB2 LYS 26 2HB LYS 26 -12.306 10.020 -5.249 190 HB3 LYS 26 3HB LYS 26 -11.464 10.073 -3.687 191 HG2 LYS 26 2HG LYS 26 -11.604 12.278 -4.517 192 HG3 LYS 26 3HG LYS 26 -9.932 11.814 -4.729 193 HD2 LYS 26 2HD LYS 26 -11.405 11.101 -7.120 194 HD3 LYS 26 3HD LYS 26 -11.815 12.788 -6.684 195 HE2 LYS 26 2HE LYS 26 -9.142 12.947 -6.468 196 HE3 LYS 26 3HE LYS 26 -9.256 11.501 -7.458 197 HZ1 LYS 26 1HZ LYS 26 -10.463 12.786 -9.108 198 HZ2 LYS 26 2HZ LYS 26 -8.983 13.451 -8.773 199 HZ3 LYS 26 3HZ LYS 26 -10.323 14.138 -8.168 200 H VAL 27 HN VAL 27 -8.254 9.942 -6.523 201 HA VAL 27 HA VAL 27 -6.874 10.585 -3.967 202 HB VAL 27 HB VAL 27 -4.755 9.828 -4.958 203 HG11 VAL 27 1HG1 VAL 27 -5.105 7.452 -4.603 204 HG12 VAL 27 2HG1 VAL 27 -6.083 8.379 -3.454 205 HG13 VAL 27 3HG1 VAL 27 -6.865 7.658 -4.860 206 HG21 VAL 27 1HG2 VAL 27 -4.641 8.286 -6.831 207 HG22 VAL 27 2HG2 VAL 27 -6.374 8.475 -7.149 208 HG23 VAL 27 3HG2 VAL 27 -5.260 9.848 -7.377 209 H GLU 28 HN GLU 28 -5.646 12.578 -4.110 210 HA GLU 28 HA GLU 28 -4.980 13.406 -6.765 211 HB2 GLU 28 2HB GLU 28 -7.029 14.960 -5.256 212 HB3 GLU 28 3HB GLU 28 -5.654 15.917 -5.815 213 HG2 GLU 28 2HG GLU 28 -5.950 15.043 -8.133 214 HG3 GLU 28 3HG GLU 28 -7.346 14.122 -7.596 215 HA PRO 29 HA PRO 29 -1.281 14.428 -4.582 216 HB2 PRO 29 2HB PRO 29 -0.298 16.569 -6.061 217 HB3 PRO 29 3HB PRO 29 -0.249 14.855 -6.572 218 HG2 PRO 29 2HG PRO 29 -2.251 16.995 -7.314 219 HG3 PRO 29 3HG PRO 29 -1.428 15.824 -8.392 220 HD2 PRO 29 2HD PRO 29 -3.932 15.400 -7.507 221 HD3 PRO 29 3HD PRO 29 -2.793 14.018 -7.596 222 H ILE 30 HN ILE 30 -0.055 16.520 -3.737 223 HA ILE 30 HA ILE 30 -2.065 18.250 -2.355 224 HB ILE 30 HB ILE 30 0.615 17.196 -1.446 225 HG12 ILE 30 2HG1 ILE 30 -2.123 17.221 -0.081 226 HG13 ILE 30 3HG1 ILE 30 -1.596 15.897 -1.102 227 HG21 ILE 30 1HG2 ILE 30 0.173 18.755 0.567 228 HG22 ILE 30 2HG2 ILE 30 0.589 19.584 -0.925 229 HG23 ILE 30 3HG2 ILE 30 -1.091 19.499 -0.440 230 HD11 ILE 30 1HD1 ILE 30 0.390 15.550 0.359 231 HD12 ILE 30 2HD1 ILE 30 -0.248 16.760 1.483 232 HD13 ILE 30 3HD1 ILE 30 -1.153 15.269 1.175 233 HA PRO 31 HA PRO 31 0.142 21.011 -5.280 234 HB2 PRO 31 2HB PRO 31 -1.855 22.759 -5.763 235 HB3 PRO 31 3HB PRO 31 -1.796 21.143 -6.532 236 HG2 PRO 31 2HG PRO 31 -3.382 21.976 -4.084 237 HG3 PRO 31 3HG PRO 31 -3.950 21.058 -5.508 238 HD2 PRO 31 2HD PRO 31 -3.150 19.856 -3.183 239 HD3 PRO 31 3HD PRO 31 -2.889 19.097 -4.779 240 H GLN 32 HN GLN 32 1.502 21.522 -3.598 241 HA GLN 32 HA GLN 32 2.536 22.653 -1.967 242 HB2 GLN 32 2HB GLN 32 2.115 24.285 -3.891 243 HB3 GLN 32 3HB GLN 32 0.829 24.988 -2.917 244 HG2 GLN 32 2HG GLN 32 2.542 25.556 -1.166 245 HG3 GLN 32 3HG GLN 32 3.776 24.853 -2.193 246 HE21 GLN 32 1HE2 GLN 32 4.098 25.969 -4.376 247 HE22 GLN 32 2HE2 GLN 32 3.859 27.707 -4.331 248 H ASN 33 HN ASN 33 -0.437 21.785 -1.261 249 HA ASN 33 HA ASN 33 -1.564 23.609 0.379 250 HB2 ASN 33 2HB ASN 33 -1.757 20.727 1.259 251 HB3 ASN 33 3HB ASN 33 -2.869 22.023 1.584 252 HD21 ASN 33 1HD2 ASN 33 -2.792 23.016 -1.374 253 HD22 ASN 33 2HD2 ASN 33 -3.838 21.859 -2.123 254 H GLY 34 HN GLY 34 1.085 21.495 1.416 255 HA2 GLY 34 2HA GLY 34 2.425 21.561 3.260 256 HA3 GLY 34 1HA GLY 34 1.692 23.110 3.683 257 HA PRO 35 HA PRO 35 -1.204 19.742 5.614 258 HB2 PRO 35 2HB PRO 35 -0.358 17.145 5.780 259 HB3 PRO 35 3HB PRO 35 -1.098 17.808 4.296 260 HG2 PRO 35 2HG PRO 35 1.859 17.559 4.937 261 HG3 PRO 35 3HG PRO 35 1.013 16.975 3.472 262 HD2 PRO 35 2HD PRO 35 2.300 19.374 3.536 263 HD3 PRO 35 3HD PRO 35 0.757 19.193 2.648 264 H CYS 36 HN CYS 36 -1.179 18.633 7.771 265 HA CYS 36 HA CYS 36 0.183 19.995 9.662 266 HB2 CYS 36 2HB CYS 36 -1.269 17.397 9.654 267 HB3 CYS 36 3HB CYS 36 -0.080 17.535 10.955 268 HG CYS 36 HG CYS 36 -2.440 18.203 11.808 269 H GLY 37 HN GLY 37 1.270 16.690 8.692 270 HA2 GLY 37 2HA GLY 37 3.922 16.934 8.374 271 HA3 GLY 37 1HA GLY 37 3.766 17.083 10.138 272 H ASP 38 HN ASP 38 4.394 14.950 7.857 273 HA ASP 38 HA ASP 38 4.211 12.854 7.302 274 HB2 ASP 38 2HB ASP 38 3.997 11.654 9.986 275 HB3 ASP 38 3HB ASP 38 5.178 11.419 8.718 276 H ASN 39 HN ASN 39 1.574 14.213 7.934 277 HA ASN 39 HA ASN 39 -0.164 11.839 8.350 278 HB2 ASN 39 2HB ASN 39 -0.131 14.072 9.832 279 HB3 ASN 39 3HB ASN 39 -1.211 14.660 8.580 280 HD21 ASN 39 1HD2 ASN 39 -0.837 12.689 11.367 281 HD22 ASN 39 2HD2 ASN 39 -2.365 11.828 11.338 282 H SER 40 HN SER 40 0.542 11.383 6.101 283 HA SER 40 HA SER 40 -1.314 12.542 4.136 284 HB2 SER 40 2HB SER 40 0.871 13.770 3.987 285 HB3 SER 40 3HB SER 40 1.679 12.232 3.648 286 HG SER 40 HG SER 40 -0.495 13.087 2.025 287 H LEU 41 HN LEU 41 -0.556 11.000 1.967 288 HA LEU 41 HA LEU 41 -1.283 8.290 2.959 289 HB2 LEU 41 2HB LEU 41 -2.201 9.740 0.465 290 HB3 LEU 41 3HB LEU 41 -2.587 8.079 0.895 291 HG LEU 41 HG LEU 41 -3.422 10.581 2.434 292 HD11 LEU 41 1HD1 LEU 41 -5.664 9.933 1.747 293 HD12 LEU 41 2HD1 LEU 41 -5.003 8.569 0.810 294 HD13 LEU 41 3HD1 LEU 41 -4.605 10.234 0.364 295 HD21 LEU 41 1HD2 LEU 41 -3.846 7.600 3.066 296 HD22 LEU 41 2HD2 LEU 41 -4.806 8.903 3.799 297 HD23 LEU 41 3HD2 LEU 41 -3.073 8.808 4.108 298 H VAL 42 HN VAL 42 -0.593 6.526 1.709 299 HA VAL 42 HA VAL 42 1.581 6.992 -0.265 300 HB VAL 42 HB VAL 42 2.897 5.228 0.751 301 HG11 VAL 42 1HG1 VAL 42 3.363 7.571 1.262 302 HG12 VAL 42 2HG1 VAL 42 2.267 7.500 2.637 303 HG13 VAL 42 3HG1 VAL 42 3.714 6.505 2.657 304 HG21 VAL 42 1HG2 VAL 42 2.417 4.674 3.221 305 HG22 VAL 42 2HG2 VAL 42 0.721 5.011 2.803 306 HG23 VAL 42 3HG2 VAL 42 1.656 3.775 1.923 307 H ALA 43 HN ALA 43 1.948 4.862 -1.598 308 HA ALA 43 HA ALA 43 -0.562 3.443 -2.100 309 HB1 ALA 43 1HB ALA 43 -1.169 4.921 -3.699 310 HB2 ALA 43 2HB ALA 43 0.392 5.789 -3.635 311 HB3 ALA 43 3HB ALA 43 0.200 4.346 -4.635 312 H LEU 44 HN LEU 44 -0.044 1.406 -2.635 313 HA LEU 44 HA LEU 44 2.806 0.778 -3.342 314 HB2 LEU 44 2HB LEU 44 0.685 -0.951 -2.038 315 HB3 LEU 44 3HB LEU 44 2.194 -1.545 -2.669 316 HG LEU 44 HG LEU 44 3.453 -0.212 -1.007 317 HD11 LEU 44 1HD1 LEU 44 0.638 0.557 -0.096 318 HD12 LEU 44 2HD1 LEU 44 2.022 1.631 -0.436 319 HD13 LEU 44 3HD1 LEU 44 2.019 0.618 1.001 320 HD21 LEU 44 1HD2 LEU 44 2.843 -1.648 0.901 321 HD22 LEU 44 2HD2 LEU 44 2.858 -2.554 -0.610 322 HD23 LEU 44 3HD2 LEU 44 1.301 -2.061 0.094 323 H LYS 45 HN LYS 45 2.841 0.763 -5.519 324 HA LYS 45 HA LYS 45 0.599 -0.355 -7.108 325 HB2 LYS 45 2HB LYS 45 3.243 0.938 -7.851 326 HB3 LYS 45 3HB LYS 45 2.057 0.355 -9.025 327 HG2 LYS 45 2HG LYS 45 0.447 1.991 -8.445 328 HG3 LYS 45 3HG LYS 45 1.131 2.281 -6.866 329 HD2 LYS 45 2HD LYS 45 3.203 3.003 -8.685 330 HD3 LYS 45 3HD LYS 45 1.712 3.618 -9.377 331 HE2 LYS 45 2HE LYS 45 2.648 5.306 -7.940 332 HE3 LYS 45 3HE LYS 45 1.170 4.714 -7.184 333 HZ1 LYS 45 1HZ LYS 45 3.413 5.007 -5.915 334 HZ2 LYS 45 2HZ LYS 45 3.698 3.463 -6.392 335 HZ3 LYS 45 3HZ LYS 45 2.403 3.769 -5.467 336 H LEU 46 HN LEU 46 0.569 -2.506 -6.778 337 HA LEU 46 HA LEU 46 2.987 -4.065 -6.365 338 HB2 LEU 46 2HB LEU 46 0.201 -4.350 -5.836 339 HB3 LEU 46 3HB LEU 46 0.568 -5.610 -6.987 340 HG LEU 46 HG LEU 46 2.052 -5.158 -4.373 341 HD11 LEU 46 1HD1 LEU 46 0.814 -7.191 -3.635 342 HD12 LEU 46 2HD1 LEU 46 -0.116 -7.155 -5.128 343 HD13 LEU 46 3HD1 LEU 46 -0.257 -5.829 -3.977 344 HD21 LEU 46 1HD2 LEU 46 2.201 -7.456 -6.368 345 HD22 LEU 46 2HD2 LEU 46 2.917 -7.491 -4.772 346 HD23 LEU 46 3HD2 LEU 46 3.509 -6.318 -5.949 347 H LEU 47 HN LEU 47 2.835 -6.284 -7.763 348 HA LEU 47 HA LEU 47 1.897 -5.888 -10.454 349 HB2 LEU 47 2HB LEU 47 4.203 -5.305 -10.882 350 HB3 LEU 47 3HB LEU 47 4.778 -6.747 -10.045 351 HG LEU 47 HG LEU 47 3.814 -8.207 -11.735 352 HD11 LEU 47 1HD1 LEU 47 2.818 -7.217 -13.829 353 HD12 LEU 47 2HD1 LEU 47 2.711 -5.658 -12.999 354 HD13 LEU 47 3HD1 LEU 47 1.788 -7.063 -12.418 355 HD21 LEU 47 1HD2 LEU 47 5.216 -7.591 -13.617 356 HD22 LEU 47 2HD2 LEU 47 6.061 -7.263 -12.101 357 HD23 LEU 47 3HD2 LEU 47 5.343 -5.923 -13.024 358 H SER 48 HN SER 48 3.970 -8.426 -8.777 359 HA SER 48 HA SER 48 1.613 -10.127 -8.612 360 HB2 SER 48 2HB SER 48 2.105 -11.527 -10.348 361 HB3 SER 48 3HB SER 48 2.772 -10.007 -10.946 362 HG SER 48 HG SER 48 4.233 -11.411 -11.382 363 HA PRO 49 HA PRO 49 1.980 -12.886 -8.547 364 HB2 PRO 49 2HB PRO 49 1.174 -14.466 -6.454 365 HB3 PRO 49 3HB PRO 49 2.714 -14.691 -7.309 366 HG2 PRO 49 2HG PRO 49 2.221 -13.199 -4.729 367 HG3 PRO 49 3HG PRO 49 3.506 -14.408 -5.082 368 HD2 PRO 49 2HD PRO 49 3.931 -11.702 -5.209 369 HD3 PRO 49 3HD PRO 49 4.751 -12.830 -6.331 370 H ASP 50 HN ASP 50 -0.398 -13.498 -8.131 371 HA ASP 50 HA ASP 50 -2.029 -11.340 -7.040 372 HB2 ASP 50 2HB ASP 50 -2.729 -10.631 -9.243 373 HB3 ASP 50 3HB ASP 50 -0.996 -10.426 -9.099 374 H GLY 51 HN GLY 51 -4.392 -11.768 -7.945 375 HA2 GLY 51 2HA GLY 51 -5.780 -13.476 -9.041 376 HA3 GLY 51 1HA GLY 51 -4.934 -14.701 -8.098 377 H ASP 52 HN ASP 52 -7.672 -14.615 -8.028 378 HA ASP 52 HA ASP 52 -9.119 -12.967 -6.424 379 HB2 ASP 52 2HB ASP 52 -9.485 -15.997 -6.389 380 HB3 ASP 52 3HB ASP 52 -10.688 -14.787 -6.000 381 H ASN 53 HN ASN 53 -7.206 -15.741 -5.375 382 HA ASN 53 HA ASN 53 -8.285 -16.071 -2.763 383 HB2 ASN 53 2HB ASN 53 -6.749 -17.638 -4.074 384 HB3 ASN 53 3HB ASN 53 -5.441 -16.529 -3.758 385 HD21 ASN 53 1HD2 ASN 53 -4.270 -18.134 -2.685 386 HD22 ASN 53 2HD2 ASN 53 -4.670 -18.569 -1.009 387 H ALA 54 HN ALA 54 -5.639 -14.152 -4.056 388 HA ALA 54 HA ALA 54 -4.628 -13.280 -1.467 389 HB1 ALA 54 1HB ALA 54 -3.008 -12.106 -2.884 390 HB2 ALA 54 2HB ALA 54 -3.238 -13.766 -3.502 391 HB3 ALA 54 3HB ALA 54 -4.001 -12.399 -4.333 392 H TRP 55 HN TRP 55 -6.470 -11.823 -4.220 393 HA TRP 55 HA TRP 55 -7.169 -9.315 -3.092 394 HB2 TRP 55 2HB TRP 55 -8.683 -11.286 -4.848 395 HB3 TRP 55 3HB TRP 55 -9.400 -9.783 -4.293 396 HD1 TRP 55 1HD TRP 55 -7.567 -11.024 -7.167 397 HE1 TRP 55 1HE TRP 55 -6.484 -9.190 -8.494 398 HE3 TRP 55 3HE TRP 55 -8.108 -7.308 -3.737 399 HZ2 TRP 55 2HZ TRP 55 -5.848 -6.328 -8.075 400 HZ3 TRP 55 3HZ TRP 55 -7.190 -5.016 -4.206 401 HH2 TRP 55 2HH TRP 55 -6.082 -4.536 -6.330 402 H SER 56 HN SER 56 -9.163 -12.335 -2.634 403 HA SER 56 HA SER 56 -10.875 -10.998 -0.817 404 HB2 SER 56 2HB SER 56 -10.181 -13.975 -0.985 405 HB3 SER 56 3HB SER 56 -11.595 -13.273 -0.183 406 HG SER 56 HG SER 56 -12.036 -14.090 -2.258 407 H VAL 57 HN VAL 57 -8.117 -13.251 0.024 408 HA VAL 57 HA VAL 57 -8.353 -12.897 2.798 409 HB VAL 57 HB VAL 57 -5.897 -13.450 1.071 410 HG11 VAL 57 1HG1 VAL 57 -6.315 -13.975 4.064 411 HG12 VAL 57 2HG1 VAL 57 -4.932 -14.508 3.047 412 HG13 VAL 57 3HG1 VAL 57 -5.179 -12.801 3.346 413 HG21 VAL 57 1HG2 VAL 57 -6.399 -15.811 1.668 414 HG22 VAL 57 2HG2 VAL 57 -7.761 -15.296 2.689 415 HG23 VAL 57 3HG2 VAL 57 -7.836 -15.112 0.944 416 H MET 58 HN MET 58 -6.378 -10.902 0.522 417 HA MET 58 HA MET 58 -5.329 -9.117 2.457 418 HB2 MET 58 2HB MET 58 -4.446 -9.376 0.193 419 HB3 MET 58 3HB MET 58 -5.995 -8.835 -0.488 420 HG2 MET 58 2HG MET 58 -5.699 -6.623 0.440 421 HG3 MET 58 3HG MET 58 -4.175 -7.116 1.194 422 HE1 MET 58 1HE MET 58 -5.006 -6.488 -3.304 423 HE2 MET 58 2HE MET 58 -5.463 -8.051 -2.590 424 HE3 MET 58 3HE MET 58 -6.200 -6.550 -1.989 425 H TYR 59 HN TYR 59 -8.399 -9.096 0.601 426 HA TYR 59 HA TYR 59 -9.347 -6.540 1.248 427 HB2 TYR 59 2HB TYR 59 -10.273 -8.713 -0.209 428 HB3 TYR 59 3HB TYR 59 -11.373 -8.751 1.126 429 HD1 TYR 59 1HD TYR 59 -13.138 -7.153 1.221 430 HD2 TYR 59 2HD TYR 59 -9.936 -6.766 -1.613 431 HE1 TYR 59 1HE TYR 59 -14.419 -5.362 0.025 432 HE2 TYR 59 2HE TYR 59 -11.121 -4.970 -2.785 433 HH TYR 59 HH TYR 59 -14.365 -3.810 -1.685 434 H LYS 60 HN LYS 60 -10.060 -9.678 2.817 435 HA LYS 60 HA LYS 60 -11.627 -8.592 4.910 436 HB2 LYS 60 2HB LYS 60 -9.942 -11.128 5.053 437 HB3 LYS 60 3HB LYS 60 -11.400 -10.735 5.960 438 HG2 LYS 60 2HG LYS 60 -12.401 -10.537 3.388 439 HG3 LYS 60 3HG LYS 60 -11.080 -11.604 3.107 440 HD2 LYS 60 2HD LYS 60 -13.297 -12.127 5.074 441 HD3 LYS 60 3HD LYS 60 -13.053 -12.872 3.472 442 HE2 LYS 60 2HE LYS 60 -10.913 -13.845 4.249 443 HE3 LYS 60 3HE LYS 60 -11.237 -13.203 5.871 444 HZ1 LYS 60 1HZ LYS 60 -12.001 -15.440 5.747 445 HZ2 LYS 60 2HZ LYS 60 -12.908 -15.179 4.409 446 HZ3 LYS 60 3HZ LYS 60 -13.333 -14.492 5.826 447 H LEU 61 HN LEU 61 -8.103 -9.327 4.770 448 HA LEU 61 HA LEU 61 -7.594 -8.432 7.442 449 HB2 LEU 61 2HB LEU 61 -5.851 -8.907 5.019 450 HB3 LEU 61 3HB LEU 61 -5.241 -7.878 6.313 451 HG LEU 61 HG LEU 61 -5.828 -9.686 7.979 452 HD11 LEU 61 1HD1 LEU 61 -6.022 -11.985 7.179 453 HD12 LEU 61 2HD1 LEU 61 -5.950 -11.443 5.489 454 HD13 LEU 61 3HD1 LEU 61 -7.355 -11.016 6.515 455 HD21 LEU 61 1HD2 LEU 61 -3.753 -10.366 5.885 456 HD22 LEU 61 2HD2 LEU 61 -3.816 -11.007 7.543 457 HD23 LEU 61 3HD2 LEU 61 -3.535 -9.282 7.282 458 H SER 62 HN SER 62 -7.737 -6.604 4.348 459 HA SER 62 HA SER 62 -6.765 -4.145 5.305 460 HB2 SER 62 2HB SER 62 -7.385 -4.875 2.884 461 HB3 SER 62 3HB SER 62 -9.051 -4.469 3.291 462 HG SER 62 HG SER 62 -8.362 -2.322 3.640 463 H GLN 63 HN GLN 63 -10.146 -5.367 5.226 464 HA GLN 63 HA GLN 63 -11.294 -3.022 6.411 465 HB2 GLN 63 2HB GLN 63 -12.352 -5.871 6.283 466 HB3 GLN 63 3HB GLN 63 -13.320 -4.422 6.534 467 HG2 GLN 63 2HG GLN 63 -11.707 -4.868 3.985 468 HG3 GLN 63 3HG GLN 63 -13.308 -5.512 4.225 469 HE21 GLN 63 1HE2 GLN 63 -14.602 -4.367 2.916 470 HE22 GLN 63 2HE2 GLN 63 -14.616 -2.609 2.811 471 H ALA 64 HN ALA 64 -10.293 -6.208 7.720 472 HA ALA 64 HA ALA 64 -11.133 -5.832 10.398 473 HB1 ALA 64 1HB ALA 64 -10.440 -8.013 9.524 474 HB2 ALA 64 2HB ALA 64 -8.773 -7.419 9.312 475 HB3 ALA 64 3HB ALA 64 -9.482 -7.536 10.939 476 H LEU 65 HN LEU 65 -8.003 -5.169 8.837 477 HA LEU 65 HA LEU 65 -6.710 -4.073 11.117 478 HB2 LEU 65 2HB LEU 65 -6.259 -3.882 8.109 479 HB3 LEU 65 3HB LEU 65 -5.178 -3.119 9.223 480 HG LEU 65 HG LEU 65 -5.748 -6.106 9.304 481 HD11 LEU 65 1HD1 LEU 65 -3.640 -6.422 8.193 482 HD12 LEU 65 2HD1 LEU 65 -3.305 -4.662 8.191 483 HD13 LEU 65 3HD1 LEU 65 -4.621 -5.347 7.207 484 HD21 LEU 65 1HD2 LEU 65 -3.688 -4.454 10.761 485 HD22 LEU 65 2HD2 LEU 65 -3.831 -6.245 10.768 486 HD23 LEU 65 3HD2 LEU 65 -5.076 -5.272 11.490 487 H SER 66 HN SER 66 -8.554 -2.470 8.448 488 HA SER 66 HA SER 66 -8.064 0.120 9.465 489 HB2 SER 66 2HB SER 66 -9.747 0.862 7.942 490 HB3 SER 66 3HB SER 66 -8.793 -0.407 7.150 491 HG SER 66 HG SER 66 -11.419 -0.357 8.029 492 H ASP 67 HN ASP 67 -10.471 -2.342 10.368 493 HA ASP 67 HA ASP 67 -11.977 -0.527 12.009 494 HB2 ASP 67 2HB ASP 67 -12.617 -2.910 11.173 495 HB3 ASP 67 3HB ASP 67 -11.702 -3.501 12.539 496 H ILE 68 HN ILE 68 -8.846 -2.000 12.533 497 HA ILE 68 HA ILE 68 -8.989 -1.618 15.426 498 HB ILE 68 HB ILE 68 -6.482 -2.181 13.814 499 HG12 ILE 68 2HG1 ILE 68 -7.765 -3.930 13.053 500 HG13 ILE 68 3HG1 ILE 68 -6.819 -4.579 14.339 501 HG21 ILE 68 1HG2 ILE 68 -5.726 -3.179 15.913 502 HG22 ILE 68 2HG2 ILE 68 -6.217 -1.496 16.156 503 HG23 ILE 68 3HG2 ILE 68 -7.293 -2.809 16.673 504 HD11 ILE 68 1HD1 ILE 68 -9.804 -4.009 14.363 505 HD12 ILE 68 2HD1 ILE 68 -8.984 -5.555 14.555 506 HD13 ILE 68 3HD1 ILE 68 -8.895 -4.348 15.854 507 H GLU 69 HN GLU 69 -6.721 -0.394 12.932 508 HA GLU 69 HA GLU 69 -7.117 2.408 13.658 509 HB2 GLU 69 2HB GLU 69 -4.933 2.757 14.701 510 HB3 GLU 69 3HB GLU 69 -5.833 1.549 15.628 511 HG2 GLU 69 2HG GLU 69 -4.632 -0.252 14.361 512 HG3 GLU 69 3HG GLU 69 -3.678 1.001 13.565 513 H VAL 70 HN VAL 70 -6.523 0.248 11.273 514 HA VAL 70 HA VAL 70 -4.242 1.722 10.017 515 HB VAL 70 HB VAL 70 -4.945 -1.193 9.861 516 HG11 VAL 70 1HG1 VAL 70 -2.176 -0.171 9.349 517 HG12 VAL 70 2HG1 VAL 70 -3.014 -1.596 8.685 518 HG13 VAL 70 3HG1 VAL 70 -3.383 0.026 8.094 519 HG21 VAL 70 1HG2 VAL 70 -4.372 -0.916 12.152 520 HG22 VAL 70 2HG2 VAL 70 -3.089 -1.773 11.318 521 HG23 VAL 70 3HG2 VAL 70 -2.880 -0.048 11.707 522 HA PRO 71 HA PRO 71 -7.922 1.597 7.136 523 HB2 PRO 71 2HB PRO 71 -7.912 4.132 6.216 524 HB3 PRO 71 3HB PRO 71 -8.802 3.585 7.668 525 HG2 PRO 71 2HG PRO 71 -6.137 4.970 7.542 526 HG3 PRO 71 3HG PRO 71 -7.494 5.244 8.683 527 HD2 PRO 71 2HD PRO 71 -5.292 3.729 9.349 528 HD3 PRO 71 3HD PRO 71 -6.930 3.358 9.960 529 H CYS 72 HN CYS 72 -7.195 0.375 5.700 530 HA CYS 72 HA CYS 72 -5.192 1.236 3.682 531 HB2 CYS 72 2HB CYS 72 -6.088 -1.594 4.312 532 HB3 CYS 72 3HB CYS 72 -4.736 -1.103 3.273 533 HG CYS 72 HG CYS 72 -5.073 -0.705 6.555 534 H SER 73 HN SER 73 -5.764 0.539 1.482 535 HA SER 73 HA SER 73 -8.482 -0.547 0.943 536 HB2 SER 73 2HB SER 73 -7.382 2.159 0.179 537 HB3 SER 73 3HB SER 73 -8.283 1.272 -1.041 538 HG SER 73 HG SER 73 -9.363 2.796 0.558 539 H VAL 74 HN VAL 74 -8.757 -1.346 -1.065 540 HA VAL 74 HA VAL 74 -6.326 -2.428 -2.357 541 HB VAL 74 HB VAL 74 -7.797 -4.521 -2.159 542 HG11 VAL 74 1HG1 VAL 74 -6.263 -3.339 0.203 543 HG12 VAL 74 2HG1 VAL 74 -6.818 -4.995 0.241 544 HG13 VAL 74 3HG1 VAL 74 -5.656 -4.509 -0.982 545 HG21 VAL 74 1HG2 VAL 74 -8.842 -3.426 0.408 546 HG22 VAL 74 2HG2 VAL 74 -9.800 -3.699 -1.079 547 HG23 VAL 74 3HG2 VAL 74 -8.963 -5.067 -0.302 548 H LEU 75 HN LEU 75 -6.641 -1.293 -4.336 549 HA LEU 75 HA LEU 75 -9.339 -1.616 -5.552 550 HB2 LEU 75 2HB LEU 75 -7.315 0.484 -6.296 551 HB3 LEU 75 3HB LEU 75 -8.983 0.344 -6.811 552 HG LEU 75 HG LEU 75 -7.879 1.249 -4.112 553 HD11 LEU 75 1HD1 LEU 75 -8.180 2.837 -6.052 554 HD12 LEU 75 2HD1 LEU 75 -9.140 3.256 -4.627 555 HD13 LEU 75 3HD1 LEU 75 -9.918 2.496 -6.036 556 HD21 LEU 75 1HD2 LEU 75 -10.776 0.481 -4.687 557 HD22 LEU 75 2HD2 LEU 75 -10.223 1.466 -3.309 558 HD23 LEU 75 3HD2 LEU 75 -9.699 -0.209 -3.460 559 H GLU 76 HN GLU 76 -9.487 -2.123 -7.696 560 HA GLU 76 HA GLU 76 -7.136 -3.464 -8.876 561 HB2 GLU 76 2HB GLU 76 -8.612 -5.334 -9.471 562 HB3 GLU 76 3HB GLU 76 -8.500 -5.125 -7.720 563 HG2 GLU 76 2HG GLU 76 -10.697 -3.978 -7.685 564 HG3 GLU 76 3HG GLU 76 -10.859 -4.239 -9.415 565 H CYS 77 HN CYS 77 -7.059 -3.356 -11.109 566 HA CYS 77 HA CYS 77 -9.335 -2.388 -12.645 567 HB2 CYS 77 2HB CYS 77 -7.793 -0.670 -13.755 568 HB3 CYS 77 3HB CYS 77 -8.440 -0.249 -12.156 569 HG CYS 77 HG CYS 77 -5.503 -1.494 -12.971 570 H GLU 78 HN GLU 78 -9.444 -4.180 -13.806 571 HA GLU 78 HA GLU 78 -9.076 -5.803 -15.227 572 HB2 GLU 78 2HB GLU 78 -6.882 -3.967 -16.190 573 HB3 GLU 78 3HB GLU 78 -7.332 -5.465 -17.029 574 HG2 GLU 78 2HG GLU 78 -9.589 -4.703 -17.387 575 HG3 GLU 78 3HG GLU 78 -9.369 -3.286 -16.356 576 H GLY 79 HN GLY 79 -5.742 -4.965 -14.333 577 HA2 GLY 79 2HA GLY 79 -5.300 -7.496 -12.936 578 HA3 GLY 79 1HA GLY 79 -4.422 -7.387 -14.456 579 H GLU 80 HN GLU 80 -5.050 -4.412 -12.627 580 HA GLU 80 HA GLU 80 -2.205 -4.357 -11.741 581 HB2 GLU 80 2HB GLU 80 -3.956 -2.319 -13.042 582 HB3 GLU 80 3HB GLU 80 -2.721 -1.786 -11.874 583 HG2 GLU 80 2HG GLU 80 -1.001 -3.037 -13.099 584 HG3 GLU 80 3HG GLU 80 -2.185 -3.538 -14.313 585 HA PRO 81 HA PRO 81 -4.479 -4.272 -7.754 586 HB2 PRO 81 2HB PRO 81 -2.203 -5.358 -6.411 587 HB3 PRO 81 3HB PRO 81 -3.698 -6.209 -6.858 588 HG2 PRO 81 2HG PRO 81 -1.073 -6.155 -8.283 589 HG3 PRO 81 3HG PRO 81 -2.300 -7.466 -8.211 590 HD2 PRO 81 2HD PRO 81 -1.872 -5.868 -10.371 591 HD3 PRO 81 3HD PRO 81 -3.478 -6.553 -9.984 592 H CYS 82 HN CYS 82 -4.499 -2.359 -6.779 593 HA CYS 82 HA CYS 82 -1.977 -0.816 -6.334 594 HB2 CYS 82 2HB CYS 82 -4.738 0.157 -7.195 595 HB3 CYS 82 3HB CYS 82 -3.342 1.185 -6.796 596 HG CYS 82 HG CYS 82 -3.647 -1.072 -9.239 597 H LEU 83 HN LEU 83 -1.716 -0.521 -4.136 598 HA LEU 83 HA LEU 83 -4.191 -0.594 -2.418 599 HB2 LEU 83 2HB LEU 83 -1.322 -0.920 -1.453 600 HB3 LEU 83 3HB LEU 83 -2.782 -1.103 -0.554 601 HG LEU 83 HG LEU 83 -2.227 -3.251 -0.749 602 HD11 LEU 83 1HD1 LEU 83 -3.657 -4.397 -2.315 603 HD12 LEU 83 2HD1 LEU 83 -3.759 -2.996 -3.372 604 HD13 LEU 83 3HD1 LEU 83 -4.438 -2.913 -1.736 605 HD21 LEU 83 1HD2 LEU 83 -1.209 -4.380 -2.661 606 HD22 LEU 83 2HD2 LEU 83 -0.212 -3.027 -2.126 607 HD23 LEU 83 3HD2 LEU 83 -1.200 -2.869 -3.599 608 H PHE 84 HN PHE 84 -4.279 0.813 -0.634 609 HA PHE 84 HA PHE 84 -2.685 3.335 -0.829 610 HB2 PHE 84 2HB PHE 84 -5.726 3.246 -0.604 611 HB3 PHE 84 3HB PHE 84 -4.698 4.662 -0.637 612 HD1 PHE 84 1HD PHE 84 -4.037 5.645 -2.701 613 HD2 PHE 84 2HD PHE 84 -5.847 1.739 -2.730 614 HE1 PHE 84 1HE PHE 84 -3.808 5.554 -5.174 615 HE2 PHE 84 2HE PHE 84 -5.627 1.658 -5.188 616 HZ PHE 84 HZ PHE 84 -4.533 3.530 -6.403 617 H VAL 85 HN VAL 85 -2.179 4.137 1.174 618 HA VAL 85 HA VAL 85 -3.443 3.215 3.633 619 HB VAL 85 HB VAL 85 -0.841 2.731 4.338 620 HG11 VAL 85 1HG1 VAL 85 -2.748 0.658 3.178 621 HG12 VAL 85 2HG1 VAL 85 -1.392 0.351 4.297 622 HG13 VAL 85 3HG1 VAL 85 -2.778 1.305 4.829 623 HG21 VAL 85 1HG2 VAL 85 -1.026 1.300 1.661 624 HG22 VAL 85 2HG2 VAL 85 -0.209 2.849 1.812 625 HG23 VAL 85 3HG2 VAL 85 0.362 1.462 2.753 626 H ASN 86 HN ASN 86 -1.915 4.319 5.577 627 HA ASN 86 HA ASN 86 -2.147 7.159 4.873 628 HB2 ASN 86 2HB ASN 86 -1.402 5.764 7.480 629 HB3 ASN 86 3HB ASN 86 -1.477 7.495 7.271 630 HD21 ASN 86 1HD2 ASN 86 -3.089 5.077 8.665 631 HD22 ASN 86 2HD2 ASN 86 -4.689 5.785 8.666 632 H ARG 87 HN ARG 87 0.226 5.843 6.894 633 HA ARG 87 HA ARG 87 2.440 6.505 4.993 634 HB2 ARG 87 2HB ARG 87 1.746 8.472 6.528 635 HB3 ARG 87 3HB ARG 87 2.422 7.566 7.861 636 HG2 ARG 87 2HG ARG 87 4.144 9.029 7.168 637 HG3 ARG 87 3HG ARG 87 4.617 7.461 6.489 638 HD2 ARG 87 2HD ARG 87 3.457 8.168 4.330 639 HD3 ARG 87 3HD ARG 87 3.172 9.736 5.035 640 HE ARG 87 HE ARG 87 5.716 8.578 4.073 641 HH11 ARG 87 1HH1 ARG 87 4.157 11.235 5.835 642 HH12 ARG 87 2HH1 ARG 87 5.441 12.371 5.450 643 HH21 ARG 87 1HH2 ARG 87 7.560 10.028 3.977 644 HH22 ARG 87 2HH2 ARG 87 7.450 11.578 4.733 645 H GLN 88 HN GLN 88 2.466 5.630 8.433 646 HA GLN 88 HA GLN 88 4.655 3.709 7.876 647 HB2 GLN 88 2HB GLN 88 4.362 3.112 10.346 648 HB3 GLN 88 3HB GLN 88 5.024 4.689 9.942 649 HG2 GLN 88 2HG GLN 88 2.051 4.373 10.490 650 HG3 GLN 88 3HG GLN 88 3.196 4.429 11.803 651 HE21 GLN 88 1HE2 GLN 88 1.117 6.419 10.422 652 HE22 GLN 88 2HE2 GLN 88 2.000 7.951 10.409 653 H ASP 89 HN ASP 89 1.240 3.691 8.035 654 HA ASP 89 HA ASP 89 0.671 1.009 8.598 655 HB2 ASP 89 2HB ASP 89 -0.766 2.974 6.792 656 HB3 ASP 89 3HB ASP 89 -1.393 1.364 7.182 657 H GLU 90 HN GLU 90 2.243 2.409 5.788 658 HA GLU 90 HA GLU 90 1.838 0.244 3.983 659 HB2 GLU 90 2HB GLU 90 2.810 2.295 3.173 660 HB3 GLU 90 3HB GLU 90 4.155 2.205 4.323 661 HG2 GLU 90 2HG GLU 90 5.150 0.366 3.185 662 HG3 GLU 90 3HG GLU 90 3.723 0.057 2.224 663 H PHE 91 HN PHE 91 4.590 1.001 6.123 664 HA PHE 91 HA PHE 91 5.963 -1.410 5.744 665 HB2 PHE 91 2HB PHE 91 6.204 0.291 8.217 666 HB3 PHE 91 3HB PHE 91 7.447 -0.660 7.402 667 HD1 PHE 91 1HD PHE 91 6.902 2.513 8.198 668 HD2 PHE 91 2HD PHE 91 7.236 0.209 4.555 669 HE1 PHE 91 1HE PHE 91 7.548 4.546 6.933 670 HE2 PHE 91 2HE PHE 91 7.925 2.213 3.345 671 HZ PHE 91 HZ PHE 91 8.092 4.411 4.522 672 H ALA 92 HN ALA 92 3.788 -0.363 8.379 673 HA ALA 92 HA ALA 92 3.892 -2.713 9.947 674 HB1 ALA 92 1HB ALA 92 2.830 -0.680 10.773 675 HB2 ALA 92 2HB ALA 92 1.565 -0.794 9.525 676 HB3 ALA 92 3HB ALA 92 1.676 -2.041 10.781 677 H ALA 93 HN ALA 93 1.557 -1.866 7.255 678 HA ALA 93 HA ALA 93 0.035 -4.247 7.490 679 HB1 ALA 93 1HB ALA 93 -0.712 -3.785 5.183 680 HB2 ALA 93 2HB ALA 93 -0.833 -2.359 6.230 681 HB3 ALA 93 3HB ALA 93 0.495 -2.496 5.053 682 H THR 94 HN THR 94 2.848 -3.483 5.307 683 HA THR 94 HA THR 94 2.867 -6.107 4.184 684 HB THR 94 HB THR 94 3.893 -4.259 3.045 685 HG1 THR 94 1HG THR 94 5.651 -5.234 2.336 686 HG21 THR 94 1HG2 THR 94 5.996 -3.289 3.607 687 HG22 THR 94 2HG2 THR 94 6.152 -4.300 5.081 688 HG23 THR 94 3HG2 THR 94 4.916 -3.057 4.960 689 H CYS 95 HN CYS 95 4.464 -4.836 7.168 690 HA CYS 95 HA CYS 95 6.036 -7.118 7.743 691 HB2 CYS 95 2HB CYS 95 5.992 -4.835 8.950 692 HB3 CYS 95 3HB CYS 95 4.611 -5.461 9.847 693 HG CYS 95 HG CYS 95 6.727 -5.686 11.287 694 H ARG 96 HN ARG 96 2.626 -6.406 8.698 695 HA ARG 96 HA ARG 96 2.418 -9.026 9.964 696 HB2 ARG 96 2HB ARG 96 0.047 -8.531 10.242 697 HB3 ARG 96 3HB ARG 96 1.149 -7.330 10.940 698 HG2 ARG 96 2HG ARG 96 0.601 -5.733 9.183 699 HG3 ARG 96 3HG ARG 96 -0.390 -6.951 8.363 700 HD2 ARG 96 2HD ARG 96 -2.026 -6.010 9.518 701 HD3 ARG 96 3HD ARG 96 -1.524 -7.069 10.820 702 HE ARG 96 HE ARG 96 -0.802 -4.174 10.450 703 HH11 ARG 96 1HH1 ARG 96 -1.720 -6.736 12.740 704 HH12 ARG 96 2HH1 ARG 96 -2.073 -5.632 14.019 705 HH21 ARG 96 1HH2 ARG 96 -1.000 -2.766 12.200 706 HH22 ARG 96 2HH2 ARG 96 -1.663 -3.306 13.692 707 H LEU 97 HN LEU 97 1.281 -7.750 6.773 708 HA LEU 97 HA LEU 97 0.003 -10.159 5.992 709 HB2 LEU 97 2HB LEU 97 0.982 -7.680 4.598 710 HB3 LEU 97 3HB LEU 97 0.754 -9.077 3.612 711 HG LEU 97 HG LEU 97 -1.182 -7.627 3.617 712 HD11 LEU 97 1HD1 LEU 97 -1.455 -9.974 3.066 713 HD12 LEU 97 2HD1 LEU 97 -2.901 -9.335 3.855 714 HD13 LEU 97 3HD1 LEU 97 -1.768 -10.378 4.760 715 HD21 LEU 97 1HD2 LEU 97 -1.157 -6.770 5.890 716 HD22 LEU 97 2HD2 LEU 97 -1.556 -8.377 6.537 717 HD23 LEU 97 3HD2 LEU 97 -2.721 -7.498 5.522 718 H LYS 98 HN LYS 98 3.441 -9.273 5.884 719 HA LYS 98 HA LYS 98 4.418 -11.174 4.114 720 HB2 LYS 98 2HB LYS 98 5.438 -9.947 6.646 721 HB3 LYS 98 3HB LYS 98 6.296 -11.356 6.065 722 HG2 LYS 98 2HG LYS 98 6.919 -10.369 4.033 723 HG3 LYS 98 3HG LYS 98 5.613 -9.167 4.090 724 HD2 LYS 98 2HD LYS 98 6.721 -7.987 5.923 725 HD3 LYS 98 3HD LYS 98 8.032 -9.179 5.928 726 HE2 LYS 98 2HE LYS 98 9.045 -8.165 4.198 727 HE3 LYS 98 3HE LYS 98 7.587 -8.284 3.226 728 HZ1 LYS 98 1HZ LYS 98 8.194 -6.095 3.373 729 HZ2 LYS 98 2HZ LYS 98 8.233 -6.042 5.031 730 HZ3 LYS 98 3HZ LYS 98 6.801 -6.245 4.168 731 H ASN 99 HN ASN 99 3.278 -11.723 7.461 732 HA ASN 99 HA ASN 99 4.140 -14.409 7.616 733 HB2 ASN 99 2HB ASN 99 2.837 -12.590 9.316 734 HB3 ASN 99 3HB ASN 99 1.627 -13.834 9.065 735 HD21 ASN 99 1HD2 ASN 99 4.752 -13.052 10.384 736 HD22 ASN 99 2HD2 ASN 99 5.111 -14.593 11.118 737 H PHE 100 HN PHE 100 1.627 -13.080 5.704 738 HA PHE 100 HA PHE 100 0.307 -15.682 5.286 739 HB2 PHE 100 2HB PHE 100 -0.663 -13.034 5.544 740 HB3 PHE 100 3HB PHE 100 -0.709 -13.340 3.825 741 HD1 PHE 100 1HD PHE 100 -1.517 -16.294 3.789 742 HD2 PHE 100 2HD PHE 100 -2.872 -13.031 6.273 743 HE1 PHE 100 1HE PHE 100 -3.614 -17.487 4.208 744 HE2 PHE 100 2HE PHE 100 -5.001 -14.231 6.672 745 HZ PHE 100 HZ PHE 100 -5.379 -16.479 5.667 746 H GLY 101 HN GLY 101 2.085 -13.118 3.695 747 HA2 GLY 101 2HA GLY 101 2.532 -14.551 1.162 748 HA3 GLY 101 1HA GLY 101 1.294 -13.285 1.142 749 H VAL 102 HN VAL 102 4.557 -13.917 2.043 750 HA VAL 102 HA VAL 102 5.678 -11.392 2.415 751 HB VAL 102 HB VAL 102 7.872 -12.522 2.037 752 HG11 VAL 102 1HG1 VAL 102 6.083 -14.347 3.635 753 HG12 VAL 102 2HG1 VAL 102 7.817 -14.066 3.813 754 HG13 VAL 102 3HG1 VAL 102 6.681 -12.774 4.200 755 HG21 VAL 102 1HG2 VAL 102 6.283 -15.023 1.352 756 HG22 VAL 102 2HG2 VAL 102 7.160 -14.047 0.149 757 HG23 VAL 102 3HG2 VAL 102 8.040 -14.849 1.458 758 H ALA 103 HN ALA 103 4.164 -11.306 -0.286 759 HA ALA 103 HA ALA 103 6.395 -10.112 -1.864 760 HB1 ALA 103 1HB ALA 103 5.619 -11.166 -3.891 761 HB2 ALA 103 2HB ALA 103 6.096 -12.399 -2.700 762 HB3 ALA 103 3HB ALA 103 4.369 -12.073 -2.991 763 H ILE 104 HN ILE 104 5.536 -8.123 -1.024 764 HA ILE 104 HA ILE 104 3.293 -7.138 -2.631 765 HB ILE 104 HB ILE 104 2.666 -5.663 -0.730 766 HG12 ILE 104 2HG1 ILE 104 4.671 -6.338 0.732 767 HG13 ILE 104 3HG1 ILE 104 3.108 -6.055 1.438 768 HG21 ILE 104 1HG2 ILE 104 1.996 -8.623 -0.640 769 HG22 ILE 104 2HG2 ILE 104 1.111 -7.362 0.246 770 HG23 ILE 104 3HG2 ILE 104 1.150 -7.330 -1.507 771 HD11 ILE 104 1HD1 ILE 104 2.746 -8.433 1.767 772 HD12 ILE 104 2HD1 ILE 104 4.208 -8.817 0.833 773 HD13 ILE 104 3HD1 ILE 104 4.344 -8.013 2.409 774 H ALA 105 HN ALA 105 3.976 -5.823 -3.793 775 HA ALA 105 HA ALA 105 5.236 -4.265 -5.023 776 HB1 ALA 105 1HB ALA 105 5.151 -2.054 -4.052 777 HB2 ALA 105 2HB ALA 105 3.692 -2.944 -3.627 778 HB3 ALA 105 3HB ALA 105 4.984 -2.735 -2.419 779 H GLU 106 HN GLU 106 7.062 -2.337 -4.330 780 HA GLU 106 HA GLU 106 9.600 -3.597 -3.770 781 HB2 GLU 106 2HB GLU 106 10.393 -1.323 -3.258 782 HB3 GLU 106 3HB GLU 106 9.464 -1.386 -4.757 783 HG2 GLU 106 2HG GLU 106 7.483 -0.496 -3.627 784 HG3 GLU 106 3HG GLU 106 8.487 -0.189 -2.193 785 HA PRO 107 HA PRO 107 8.951 -4.369 0.468 786 HB2 PRO 107 2HB PRO 107 11.481 -4.665 1.472 787 HB3 PRO 107 3HB PRO 107 10.832 -5.767 0.219 788 HG2 PRO 107 2HG PRO 107 12.534 -3.295 -0.196 789 HG3 PRO 107 3HG PRO 107 12.828 -4.950 -0.835 790 HD2 PRO 107 2HD PRO 107 11.611 -3.024 -2.319 791 HD3 PRO 107 3HD PRO 107 11.072 -4.734 -2.403 792 H PHE 108 HN PHE 108 9.153 -3.636 2.605 793 HA PHE 108 HA PHE 108 9.301 -0.812 3.066 794 HB2 PHE 108 2HB PHE 108 8.767 -1.357 5.355 795 HB3 PHE 108 3HB PHE 108 7.743 -2.215 4.241 796 HD1 PHE 108 1HD PHE 108 7.550 -3.022 6.872 797 HD2 PHE 108 2HD PHE 108 10.710 -4.174 4.153 798 HE1 PHE 108 1HE PHE 108 7.999 -5.055 8.216 799 HE2 PHE 108 2HE PHE 108 11.130 -6.180 5.522 800 HZ PHE 108 HZ PHE 108 9.774 -6.626 7.550 801 H SER 109 HN SER 109 11.997 -1.753 2.095 802 HA SER 109 HA SER 109 13.710 -1.788 4.434 803 HB2 SER 109 2HB SER 109 14.431 -1.166 1.560 804 HB3 SER 109 3HB SER 109 15.465 -1.770 2.873 805 HG SER 109 HG SER 109 14.770 -3.720 2.623 806 H ASN 110 HN ASN 110 15.495 0.058 4.430 807 HA ASN 110 HA ASN 110 14.197 2.680 4.324 808 HB2 ASN 110 2HB ASN 110 16.935 1.717 5.133 809 HB3 ASN 110 3HB ASN 110 16.708 3.400 4.655 810 HD21 ASN 110 1HD2 ASN 110 14.620 4.499 5.701 811 HD22 ASN 110 2HD2 ASN 110 14.635 4.265 7.451 812 H TYR 111 HN TYR 111 13.735 3.418 2.384 813 HA TYR 111 HA TYR 111 13.640 3.733 0.168 814 HB2 TYR 111 2HB TYR 111 15.329 5.286 -0.627 815 HB3 TYR 111 3HB TYR 111 14.662 5.684 0.934 816 HD1 TYR 111 1HD TYR 111 16.115 6.534 2.524 817 HD2 TYR 111 2HD TYR 111 17.712 3.755 -0.380 818 HE1 TYR 111 1HE TYR 111 18.375 6.892 3.431 819 HE2 TYR 111 2HE TYR 111 19.958 4.049 0.564 820 HH TYR 111 HH TYR 111 20.643 6.336 3.245 821 H ASN 112 HN ASN 112 14.625 1.053 0.544 822 HA ASN 112 HA ASN 112 15.534 -0.683 -0.567 823 HB2 ASN 112 2HB ASN 112 15.887 0.942 -3.059 824 HB3 ASN 112 3HB ASN 112 15.765 -0.800 -2.888 825 HD21 ASN 112 1HD2 ASN 112 13.951 2.121 -3.209 826 HD22 ASN 112 2HD2 ASN 112 12.331 1.471 -3.001 827 HA PRO 113 HA PRO 113 19.743 0.966 0.526 828 HB2 PRO 113 2HB PRO 113 20.483 -1.339 1.862 829 HB3 PRO 113 3HB PRO 113 19.617 0.045 2.650 830 HG2 PRO 113 2HG PRO 113 18.581 -2.572 1.525 831 HG3 PRO 113 3HG PRO 113 18.109 -1.792 3.078 832 HD2 PRO 113 2HD PRO 113 16.669 -1.707 0.779 833 HD3 PRO 113 3HD PRO 113 16.656 -0.322 1.909 834 H PHE 114 HN PHE 114 18.678 -2.214 -0.411 835 HA PHE 114 HA PHE 114 19.601 -4.013 -1.377 836 HB2 PHE 114 2HB PHE 114 19.174 -1.856 -3.108 837 HB3 PHE 114 3HB PHE 114 20.642 -2.661 -3.691 838 HD1 PHE 114 1HD PHE 114 17.414 -3.669 -2.116 839 HD2 PHE 114 2HD PHE 114 20.248 -4.292 -5.289 840 HE1 PHE 114 1HE PHE 114 16.000 -5.555 -3.030 841 HE2 PHE 114 2HE PHE 114 18.924 -6.227 -6.116 842 HZ PHE 114 HZ PHE 114 16.812 -6.857 -4.960
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