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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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614347 |
5jhj ![]() ![]() |
30068 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H SER 7 1HT SER 7 -28.423 8.400 1.260 2 HA SER 7 HA SER 7 -27.774 8.936 -0.891 3 HB2 SER 7 2HB SER 7 -30.692 9.593 -1.350 4 HB3 SER 7 1HB SER 7 -29.378 9.825 -2.508 5 HG SER 7 HG SER 7 -29.434 7.809 -2.984 6 H GLY 8 H GLY 8 -30.513 11.025 0.216 7 HA2 GLY 8 2HA GLY 8 -28.459 13.092 0.470 8 HA3 GLY 8 1HA GLY 8 -30.158 13.393 0.138 9 H ARG 9 H ARG 9 -27.832 12.492 2.491 10 HA ARG 9 HA ARG 9 -29.222 13.985 4.508 11 HB2 ARG 9 2HB ARG 9 -28.427 11.097 4.984 12 HB3 ARG 9 1HB ARG 9 -28.718 12.237 6.274 13 HG2 ARG 9 2HG ARG 9 -31.062 12.444 5.501 14 HG3 ARG 9 1HG ARG 9 -30.732 11.205 4.287 15 HD2 ARG 9 2HD ARG 9 -30.131 9.622 6.042 16 HD3 ARG 9 1HD ARG 9 -30.422 10.853 7.268 17 HE ARG 9 HE ARG 9 -32.672 10.350 5.577 18 HH11 ARG 9 1HH1 ARG 9 -30.988 9.232 8.488 19 HH12 ARG 9 2HH1 ARG 9 -32.379 8.584 9.211 20 HH21 ARG 9 1HH2 ARG 9 -34.590 9.402 6.581 21 HH22 ARG 9 2HH2 ARG 9 -34.461 8.652 8.088 22 H GLU 10 H GLU 10 -27.671 15.412 4.448 23 HA GLU 10 HA GLU 10 -24.903 14.699 4.469 24 HB2 GLU 10 2HB GLU 10 -26.311 17.345 4.826 25 HB3 GLU 10 1HB GLU 10 -24.555 17.172 4.777 26 HG2 GLU 10 2HG GLU 10 -24.570 16.475 2.554 27 HG3 GLU 10 1HG GLU 10 -26.294 16.135 2.565 28 H ASN 11 H ASN 11 -24.361 13.564 6.105 29 HA ASN 11 HA ASN 11 -24.549 14.586 8.847 30 HB2 ASN 11 2HB ASN 11 -26.236 12.751 8.395 31 HB3 ASN 11 1HB ASN 11 -24.920 11.734 7.862 32 HD21 ASN 11 1HD2 ASN 11 -24.919 13.874 10.737 33 HD22 ASN 11 2HD2 ASN 11 -24.767 12.576 11.848 34 H LEU 12 H LEU 12 -22.594 13.891 10.011 35 HA LEU 12 HA LEU 12 -20.415 13.502 8.190 36 HB2 LEU 12 2HB LEU 12 -18.944 13.819 10.099 37 HB3 LEU 12 1HB LEU 12 -20.121 15.101 9.984 38 HG LEU 12 HG LEU 12 -21.382 13.687 11.754 39 HD11 LEU 12 1HD1 LEU 12 -19.989 11.746 11.791 40 HD12 LEU 12 2HD1 LEU 12 -19.944 12.543 13.363 41 HD13 LEU 12 3HD1 LEU 12 -18.587 12.712 12.249 42 HD21 LEU 12 1HD2 LEU 12 -20.261 14.954 13.547 43 HD22 LEU 12 2HD2 LEU 12 -20.579 15.942 12.121 44 HD23 LEU 12 3HD2 LEU 12 -18.952 15.336 12.429 45 H TYR 13 H TYR 13 -18.813 11.990 8.487 46 HA TYR 13 HA TYR 13 -19.810 9.396 9.399 47 HB2 TYR 13 2HB TYR 13 -17.715 10.065 7.319 48 HB3 TYR 13 1HB TYR 13 -17.915 8.448 7.978 49 HD1 TYR 13 1HD TYR 13 -19.854 7.116 7.438 50 HD2 TYR 13 2HD TYR 13 -19.385 11.014 5.806 51 HE1 TYR 13 1HE TYR 13 -21.619 6.635 5.801 52 HE2 TYR 13 2HE TYR 13 -21.153 10.544 4.164 53 HH TYR 13 HH TYR 13 -23.213 7.893 4.456 54 H PHE 14 H PHE 14 -18.606 8.213 10.774 55 HA PHE 14 HA PHE 14 -17.228 9.682 12.687 56 HB2 PHE 14 2HB PHE 14 -16.753 7.505 13.762 57 HB3 PHE 14 1HB PHE 14 -18.441 7.713 13.338 58 HD1 PHE 14 1HD PHE 14 -19.444 6.376 11.557 59 HD2 PHE 14 2HD PHE 14 -15.386 5.819 12.714 60 HE1 PHE 14 1HE PHE 14 -19.412 4.218 10.396 61 HE2 PHE 14 2HE PHE 14 -15.344 3.660 11.543 62 HZ PHE 14 HZ PHE 14 -17.357 2.851 10.380 63 H GLN 15 H GLN 15 -15.120 9.811 13.260 64 HA GLN 15 HA GLN 15 -13.157 9.279 11.282 65 HB2 GLN 15 2HB GLN 15 -11.512 9.855 13.084 66 HB3 GLN 15 1HB GLN 15 -12.741 11.082 12.855 67 HG2 GLN 15 2HG GLN 15 -13.902 10.331 14.843 68 HG3 GLN 15 1HG GLN 15 -12.751 9.013 15.037 69 HE21 GLN 15 1HE2 GLN 15 -13.410 11.195 16.851 70 HE22 GLN 15 2HE2 GLN 15 -11.928 12.019 17.155 71 H GLY 16 H GLY 16 -12.403 7.354 10.814 72 HA2 GLY 16 2HA GLY 16 -12.725 5.240 12.831 73 HA3 GLY 16 1HA GLY 16 -13.073 4.988 11.123 74 H HIS 17 H HIS 17 -11.394 3.280 12.075 75 HA HIS 17 HA HIS 17 -8.708 4.154 12.068 76 HB2 HIS 17 2HB HIS 17 -9.877 1.380 11.850 77 HB3 HIS 17 1HB HIS 17 -8.147 1.700 11.923 78 HD1 HIS 17 1HD HIS 17 -7.139 2.033 14.208 79 HD2 HIS 17 2HD HIS 17 -11.286 2.166 14.250 80 HE1 HIS 17 1HE HIS 17 -7.817 2.222 16.635 81 H MET 18 H MET 18 -7.652 4.798 10.481 82 HA MET 18 HA MET 18 -8.193 3.764 7.775 83 HB2 MET 18 2HB MET 18 -7.681 5.980 6.908 84 HB3 MET 18 1HB MET 18 -8.959 6.135 8.109 85 HG2 MET 18 2HG MET 18 -7.326 6.859 9.763 86 HG3 MET 18 1HG MET 18 -6.037 6.677 8.583 87 HE1 MET 18 1HE MET 18 -5.148 9.024 8.959 88 HE2 MET 18 2HE MET 18 -6.342 9.227 10.236 89 HE3 MET 18 3HE MET 18 -6.140 10.483 9.008 90 H ALA 19 H ALA 19 -6.094 4.559 6.424 91 HA ALA 19 HA ALA 19 -3.894 3.252 7.735 92 HB1 ALA 19 1HB ALA 19 -4.045 4.604 5.024 93 HB2 ALA 19 2HB ALA 19 -4.313 2.888 5.329 94 HB3 ALA 19 3HB ALA 19 -2.723 3.594 5.610 95 H ALA 20 H ALA 20 -2.589 4.328 9.072 96 HA ALA 20 HA ALA 20 -2.628 7.239 8.957 97 HB1 ALA 20 1HB ALA 20 -1.659 7.121 11.209 98 HB2 ALA 20 2HB ALA 20 -1.609 5.363 11.093 99 HB3 ALA 20 3HB ALA 20 -3.159 6.200 11.108 100 HA PRO 21 HA PRO 21 1.392 7.223 7.068 101 HB2 PRO 21 2HB PRO 21 2.226 9.719 7.867 102 HB3 PRO 21 1HB PRO 21 1.127 9.442 6.498 103 HG2 PRO 21 2HG PRO 21 0.496 10.283 9.264 104 HG3 PRO 21 1HG PRO 21 -0.233 10.793 7.726 105 HD2 PRO 21 2HD PRO 21 -1.448 9.039 9.367 106 HD3 PRO 21 1HD PRO 21 -1.613 8.962 7.603 107 H ALA 22 H ALA 22 2.210 5.642 8.360 108 HA ALA 22 HA ALA 22 3.542 6.412 10.831 109 HB1 ALA 22 1HB ALA 22 1.968 4.565 10.888 110 HB2 ALA 22 2HB ALA 22 3.601 4.006 11.298 111 HB3 ALA 22 3HB ALA 22 2.929 3.704 9.695 112 H ARG 23 H ARG 23 4.390 6.660 8.059 113 HA ARG 23 HA ARG 23 6.269 6.718 6.818 114 HB2 ARG 23 2HB ARG 23 7.415 6.776 9.561 115 HB3 ARG 23 1HB ARG 23 8.469 6.802 8.153 116 HG2 ARG 23 2HG ARG 23 7.373 8.800 7.334 117 HG3 ARG 23 1HG ARG 23 6.249 8.762 8.695 118 HD2 ARG 23 2HD ARG 23 7.983 9.141 10.247 119 HD3 ARG 23 1HD ARG 23 9.226 8.883 9.024 120 HE ARG 23 HE ARG 23 7.902 10.961 8.026 121 HH11 ARG 23 1HH1 ARG 23 8.936 10.429 11.353 122 HH12 ARG 23 2HH1 ARG 23 9.423 12.044 11.601 123 HH21 ARG 23 1HH2 ARG 23 8.571 13.158 8.348 124 HH22 ARG 23 2HH2 ARG 23 9.219 13.624 9.858 125 H SER 24 H SER 24 5.197 4.103 6.988 126 HA SER 24 HA SER 24 7.484 2.811 5.807 127 HB2 SER 24 2HB SER 24 5.770 1.449 7.914 128 HB3 SER 24 1HB SER 24 7.070 0.709 6.979 129 HG SER 24 HG SER 24 7.980 2.916 8.216 130 H CYS 25 H CYS 25 6.710 1.503 4.022 131 HA CYS 25 HA CYS 25 3.807 1.601 3.687 132 HB2 CYS 25 2HB CYS 25 6.060 1.375 1.678 133 HB3 CYS 25 1HB CYS 25 4.355 1.135 1.276 134 H VAL 26 H VAL 26 2.801 -0.275 3.640 135 HA VAL 26 HA VAL 26 4.467 -2.660 3.926 136 HB VAL 26 HB VAL 26 1.632 -2.295 4.986 137 HG11 VAL 26 1HG1 VAL 26 2.272 -3.942 6.552 138 HG12 VAL 26 2HG1 VAL 26 3.909 -3.971 5.908 139 HG13 VAL 26 3HG1 VAL 26 2.554 -4.575 4.917 140 HG21 VAL 26 1HG2 VAL 26 2.923 -0.502 5.764 141 HG22 VAL 26 2HG2 VAL 26 4.183 -1.609 6.317 142 HG23 VAL 26 3HG2 VAL 26 2.556 -1.651 7.048 143 H TYR 27 H TYR 27 4.323 -3.946 2.329 144 HA TYR 27 HA TYR 27 2.353 -3.430 0.281 145 HB2 TYR 27 2HB TYR 27 4.930 -5.013 0.239 146 HB3 TYR 27 1HB TYR 27 3.845 -4.848 -1.147 147 HD1 TYR 27 1HD TYR 27 3.931 -2.943 -2.511 148 HD2 TYR 27 2HD TYR 27 5.906 -2.888 1.241 149 HE1 TYR 27 1HE TYR 27 4.915 -0.726 -3.046 150 HE2 TYR 27 2HE TYR 27 6.877 -0.713 0.719 151 HH TYR 27 HH TYR 27 5.814 1.220 -1.860 152 H TYR 28 H TYR 28 0.815 -4.691 -0.237 153 HA TYR 28 HA TYR 28 0.613 -7.323 1.000 154 HB2 TYR 28 2HB TYR 28 -1.482 -5.172 0.794 155 HB3 TYR 28 1HB TYR 28 -1.775 -6.867 1.168 156 HD1 TYR 28 1HD TYR 28 -0.608 -3.622 2.473 157 HD2 TYR 28 2HD TYR 28 -1.164 -7.748 3.369 158 HE1 TYR 28 1HE TYR 28 -0.413 -3.143 4.848 159 HE2 TYR 28 2HE TYR 28 -0.964 -7.266 5.757 160 HH TYR 28 HH TYR 28 -0.024 -5.524 7.231 161 H ASP 29 H ASP 29 -0.293 -8.785 -0.281 162 HA ASP 29 HA ASP 29 -1.130 -8.056 -2.988 163 HB2 ASP 29 2HB ASP 29 0.091 -10.110 -2.926 164 HB3 ASP 29 1HB ASP 29 -0.798 -10.643 -1.516 165 H GLY 30 H GLY 30 -3.039 -7.093 -2.929 166 HA2 GLY 30 2HA GLY 30 -5.281 -8.549 -1.992 167 HA3 GLY 30 1HA GLY 30 -4.981 -7.201 -0.950 168 H HIS 31 H HIS 31 -6.728 -8.151 -3.116 169 HA HIS 31 HA HIS 31 -6.942 -6.046 -5.042 170 HB2 HIS 31 2HB HIS 31 -7.786 -8.387 -5.308 171 HB3 HIS 31 1HB HIS 31 -9.002 -8.044 -4.070 172 HD1 HIS 31 1HD HIS 31 -11.221 -7.488 -5.081 173 HD2 HIS 31 2HD HIS 31 -8.018 -6.518 -7.510 174 HE1 HIS 31 1HE HIS 31 -12.232 -6.601 -7.219 175 H LEU 32 H LEU 32 -8.159 -6.800 -1.897 176 HA LEU 32 HA LEU 32 -9.520 -4.191 -1.650 177 HB2 LEU 32 2HB LEU 32 -10.187 -6.722 -0.131 178 HB3 LEU 32 1HB LEU 32 -11.126 -5.250 -0.199 179 HG LEU 32 HG LEU 32 -10.735 -7.216 -2.384 180 HD11 LEU 32 1HD1 LEU 32 -13.129 -7.756 -2.023 181 HD12 LEU 32 2HD1 LEU 32 -13.136 -6.646 -0.653 182 HD13 LEU 32 3HD1 LEU 32 -12.129 -8.094 -0.608 183 HD21 LEU 32 1HD2 LEU 32 -11.079 -4.998 -3.316 184 HD22 LEU 32 2HD2 LEU 32 -12.501 -4.762 -2.298 185 HD23 LEU 32 3HD2 LEU 32 -12.523 -5.971 -3.583 186 HA PRO 33 HA PRO 33 -6.737 -4.052 1.931 187 HB2 PRO 33 2HB PRO 33 -8.197 -2.690 3.751 188 HB3 PRO 33 1HB PRO 33 -7.564 -1.882 2.298 189 HG2 PRO 33 2HG PRO 33 -10.290 -2.987 2.760 190 HG3 PRO 33 1HG PRO 33 -9.829 -1.404 2.106 191 HD2 PRO 33 2HD PRO 33 -10.536 -3.382 0.481 192 HD3 PRO 33 1HD PRO 33 -9.219 -2.260 0.052 193 H ALA 34 H ALA 34 -9.442 -5.834 1.719 194 HA ALA 34 HA ALA 34 -9.346 -6.918 4.444 195 HB1 ALA 34 1HB ALA 34 -11.547 -6.443 3.479 196 HB2 ALA 34 2HB ALA 34 -11.351 -8.153 3.866 197 HB3 ALA 34 3HB ALA 34 -11.224 -7.607 2.192 198 H THR 35 H THR 35 -8.848 -7.991 1.069 199 HA THR 35 HA THR 35 -8.180 -10.668 1.901 200 HB THR 35 HB THR 35 -7.973 -10.844 -0.684 201 HG1 THR 35 1HG THR 35 -9.334 -9.151 -1.636 202 HG21 THR 35 1HG2 THR 35 -10.613 -10.134 0.617 203 HG22 THR 35 2HG2 THR 35 -9.866 -11.731 0.606 204 HG23 THR 35 3HG2 THR 35 -10.421 -11.005 -0.902 205 H ARG 36 H ARG 36 -6.515 -8.204 2.292 206 HA ARG 36 HA ARG 36 -4.211 -8.256 0.635 207 HB2 ARG 36 2HB ARG 36 -3.306 -6.658 2.299 208 HB3 ARG 36 1HB ARG 36 -4.941 -6.249 1.794 209 HG2 ARG 36 2HG ARG 36 -5.827 -7.208 3.822 210 HG3 ARG 36 1HG ARG 36 -4.209 -7.715 4.293 211 HD2 ARG 36 2HD ARG 36 -3.534 -5.346 4.378 212 HD3 ARG 36 1HD ARG 36 -5.204 -4.886 4.000 213 HE ARG 36 HE ARG 36 -4.997 -6.718 6.147 214 HH11 ARG 36 1HH1 ARG 36 -4.806 -3.226 5.406 215 HH12 ARG 36 2HH1 ARG 36 -5.292 -2.773 6.950 216 HH21 ARG 36 1HH2 ARG 36 -5.589 -6.058 8.256 217 HH22 ARG 36 2HH2 ARG 36 -5.704 -4.405 8.649 218 H VAL 37 H VAL 37 -2.453 -9.481 0.691 219 HA VAL 37 HA VAL 37 -1.912 -11.199 3.022 220 HB VAL 37 HB VAL 37 -0.892 -11.385 0.171 221 HG11 VAL 37 1HG1 VAL 37 0.717 -12.302 1.713 222 HG12 VAL 37 2HG1 VAL 37 -0.031 -13.572 0.749 223 HG13 VAL 37 3HG1 VAL 37 -0.531 -13.329 2.430 224 HG21 VAL 37 1HG2 VAL 37 -2.322 -13.356 -0.050 225 HG22 VAL 37 2HG2 VAL 37 -3.266 -11.905 0.309 226 HG23 VAL 37 3HG2 VAL 37 -2.936 -13.080 1.579 227 H LEU 38 H LEU 38 -0.107 -10.808 4.176 228 HA LEU 38 HA LEU 38 1.297 -8.385 3.814 229 HB2 LEU 38 2HB LEU 38 0.705 -9.443 5.993 230 HB3 LEU 38 1HB LEU 38 1.858 -10.703 5.671 231 HG LEU 38 HG LEU 38 2.562 -8.996 7.356 232 HD11 LEU 38 1HD1 LEU 38 4.852 -8.696 6.575 233 HD12 LEU 38 2HD1 LEU 38 4.360 -9.184 4.950 234 HD13 LEU 38 3HD1 LEU 38 4.274 -10.336 6.282 235 HD21 LEU 38 1HD2 LEU 38 1.602 -7.038 6.327 236 HD22 LEU 38 2HD2 LEU 38 2.734 -7.173 4.976 237 HD23 LEU 38 3HD2 LEU 38 3.331 -6.823 6.595 238 H LEU 39 H LEU 39 2.730 -8.103 2.256 239 HA LEU 39 HA LEU 39 4.476 -10.285 1.465 240 HB2 LEU 39 2HB LEU 39 4.209 -7.496 0.347 241 HB3 LEU 39 1HB LEU 39 5.184 -8.782 -0.346 242 HG LEU 39 HG LEU 39 2.175 -8.772 -0.106 243 HD11 LEU 39 1HD1 LEU 39 3.947 -8.525 -2.524 244 HD12 LEU 39 2HD1 LEU 39 2.948 -7.249 -1.815 245 HD13 LEU 39 3HD1 LEU 39 2.190 -8.667 -2.534 246 HD21 LEU 39 1HD2 LEU 39 2.281 -10.816 -1.457 247 HD22 LEU 39 2HD2 LEU 39 3.023 -10.998 0.134 248 HD23 LEU 39 3HD2 LEU 39 4.044 -10.805 -1.296 249 H MET 40 H MET 40 4.917 -6.867 2.366 250 HA MET 40 HA MET 40 6.935 -7.360 4.313 251 HB2 MET 40 2HB MET 40 8.884 -6.440 3.238 252 HB3 MET 40 1HB MET 40 8.386 -7.945 2.434 253 HG2 MET 40 2HG MET 40 7.470 -6.606 0.624 254 HG3 MET 40 1HG MET 40 7.866 -5.146 1.541 255 HE1 MET 40 1HE MET 40 10.086 -8.413 1.247 256 HE2 MET 40 2HE MET 40 11.079 -8.026 -0.154 257 HE3 MET 40 3HE MET 40 9.345 -8.288 -0.349 258 H TYR 41 H TYR 41 8.040 -5.547 5.070 259 HA TYR 41 HA TYR 41 6.462 -3.076 4.895 260 HB2 TYR 41 2HB TYR 41 8.419 -4.077 6.985 261 HB3 TYR 41 1HB TYR 41 7.588 -2.539 7.043 262 HD1 TYR 41 1HD TYR 41 6.993 -6.220 7.075 263 HD2 TYR 41 2HD TYR 41 5.523 -2.373 8.128 264 HE1 TYR 41 1HE TYR 41 5.214 -7.269 8.395 265 HE2 TYR 41 2HE TYR 41 3.735 -3.417 9.446 266 HH TYR 41 HH TYR 41 3.783 -6.646 10.320 267 H VAL 42 H VAL 42 7.457 -1.426 3.829 268 HA VAL 42 HA VAL 42 10.386 -1.474 3.602 269 HB VAL 42 HB VAL 42 8.441 -0.173 1.697 270 HG11 VAL 42 1HG1 VAL 42 11.418 -0.599 1.467 271 HG12 VAL 42 2HG1 VAL 42 10.607 0.939 1.754 272 HG13 VAL 42 3HG1 VAL 42 10.376 0.095 0.222 273 HG21 VAL 42 1HG2 VAL 42 8.262 -2.582 1.587 274 HG22 VAL 42 2HG2 VAL 42 10.017 -2.717 1.376 275 HG23 VAL 42 3HG2 VAL 42 9.026 -1.937 0.131 276 H ARG 43 H ARG 43 11.408 0.359 4.289 277 HA ARG 43 HA ARG 43 10.062 2.279 5.885 278 HB2 ARG 43 2HB ARG 43 12.438 1.529 6.135 279 HB3 ARG 43 1HB ARG 43 12.802 2.345 4.621 280 HG2 ARG 43 2HG ARG 43 11.746 4.399 5.896 281 HG3 ARG 43 1HG ARG 43 12.268 3.465 7.302 282 HD2 ARG 43 2HD ARG 43 14.518 3.261 6.208 283 HD3 ARG 43 1HD ARG 43 13.873 4.379 4.986 284 HE ARG 43 HE ARG 43 14.024 5.089 7.812 285 HH11 ARG 43 1HH1 ARG 43 14.585 5.969 4.417 286 HH12 ARG 43 2HH1 ARG 43 15.386 7.418 4.781 287 HH21 ARG 43 1HH2 ARG 43 15.061 7.071 8.296 288 HH22 ARG 43 2HH2 ARG 43 15.661 8.074 7.050 289 H ILE 44 H ILE 44 9.404 4.237 5.279 290 HA ILE 44 HA ILE 44 9.098 5.020 2.540 291 HB ILE 44 HB ILE 44 9.290 7.011 4.809 292 HG12 ILE 44 2HG1 ILE 44 7.618 5.349 5.207 293 HG13 ILE 44 1HG1 ILE 44 6.915 6.971 5.024 294 HG21 ILE 44 1HG2 ILE 44 7.951 8.478 3.360 295 HG22 ILE 44 2HG2 ILE 44 7.988 7.248 2.095 296 HG23 ILE 44 3HG2 ILE 44 9.482 8.032 2.606 297 HD11 ILE 44 1HD1 ILE 44 6.827 4.658 3.081 298 HD12 ILE 44 2HD1 ILE 44 6.127 6.268 2.796 299 HD13 ILE 44 3HD1 ILE 44 5.524 5.254 4.093 300 H GLY 45 H GLY 45 10.471 5.714 1.226 301 HA2 GLY 45 2HA GLY 45 12.195 7.148 0.431 302 HA3 GLY 45 1HA GLY 45 12.821 7.243 2.076 303 H ASN 46 H ASN 46 11.882 4.160 0.856 304 HA ASN 46 HA ASN 46 14.638 3.538 0.094 305 HB2 ASN 46 2HB ASN 46 14.401 2.991 2.388 306 HB3 ASN 46 1HB ASN 46 12.941 2.058 1.997 307 HD21 ASN 46 1HD2 ASN 46 13.862 0.131 2.873 308 HD22 ASN 46 2HD2 ASN 46 15.170 -0.689 2.115 309 H THR 47 H THR 47 14.809 1.644 -1.057 310 HA THR 47 HA THR 47 12.486 1.075 -2.751 311 HB THR 47 HB THR 47 14.151 0.021 -4.222 312 HG1 THR 47 1HG THR 47 16.077 -0.162 -3.374 313 HG21 THR 47 1HG2 THR 47 14.992 2.182 -5.191 314 HG22 THR 47 2HG2 THR 47 14.406 3.000 -3.737 315 HG23 THR 47 3HG2 THR 47 13.274 2.174 -4.808 316 H ALA 48 H ALA 48 12.041 -0.978 -3.298 317 HA ALA 48 HA ALA 48 13.440 -3.200 -2.037 318 HB1 ALA 48 1HB ALA 48 10.549 -2.799 -1.339 319 HB2 ALA 48 2HB ALA 48 11.910 -2.479 -0.265 320 HB3 ALA 48 3HB ALA 48 11.588 -4.124 -0.816 321 H THR 49 H THR 49 13.586 -4.796 -3.353 322 HA THR 49 HA THR 49 11.967 -5.307 -5.617 323 HB THR 49 HB THR 49 13.616 -7.330 -4.091 324 HG1 THR 49 1HG THR 49 14.460 -5.040 -5.480 325 HG21 THR 49 1HG2 THR 49 14.065 -8.227 -6.325 326 HG22 THR 49 2HG2 THR 49 13.098 -6.939 -7.040 327 HG23 THR 49 3HG2 THR 49 12.332 -8.145 -6.005 328 H ILE 50 H ILE 50 9.830 -5.797 -5.269 329 HA ILE 50 HA ILE 50 8.994 -7.506 -3.004 330 HB ILE 50 HB ILE 50 7.266 -6.359 -5.197 331 HG12 ILE 50 2HG1 ILE 50 8.450 -4.491 -4.208 332 HG13 ILE 50 1HG1 ILE 50 6.737 -4.456 -3.762 333 HG21 ILE 50 1HG2 ILE 50 6.231 -8.086 -3.871 334 HG22 ILE 50 2HG2 ILE 50 5.464 -6.531 -3.538 335 HG23 ILE 50 3HG2 ILE 50 6.611 -7.216 -2.386 336 HD11 ILE 50 1HD1 ILE 50 7.328 -5.365 -1.593 337 HD12 ILE 50 2HD1 ILE 50 8.183 -3.837 -1.930 338 HD13 ILE 50 3HD1 ILE 50 9.026 -5.389 -2.084 339 H THR 51 H THR 51 9.148 -9.695 -3.480 340 HA THR 51 HA THR 51 8.525 -10.380 -6.261 341 HB THR 51 HB THR 51 9.501 -12.230 -4.076 342 HG1 THR 51 1HG THR 51 10.688 -10.193 -5.299 343 HG21 THR 51 1HG2 THR 51 10.271 -13.592 -5.973 344 HG22 THR 51 2HG2 THR 51 9.690 -12.369 -7.100 345 HG23 THR 51 3HG2 THR 51 8.541 -13.278 -6.124 346 H ALA 52 H ALA 52 6.536 -11.005 -6.690 347 HA ALA 52 HA ALA 52 5.020 -12.484 -4.705 348 HB1 ALA 52 1HB ALA 52 4.304 -10.163 -4.399 349 HB2 ALA 52 2HB ALA 52 3.008 -11.114 -5.124 350 HB3 ALA 52 3HB ALA 52 3.974 -10.027 -6.125 351 H ARG 53 H ARG 53 4.339 -14.206 -5.653 352 HA ARG 53 HA ARG 53 3.671 -15.731 -7.113 353 HB2 ARG 53 2HB ARG 53 2.680 -13.321 -8.617 354 HB3 ARG 53 1HB ARG 53 2.373 -14.981 -9.164 355 HG2 ARG 53 2HG ARG 53 1.248 -15.487 -7.111 356 HG3 ARG 53 1HG ARG 53 1.645 -13.888 -6.470 357 HD2 ARG 53 2HD ARG 53 0.205 -12.848 -8.103 358 HD3 ARG 53 1HD ARG 53 -0.146 -14.413 -8.853 359 HE ARG 53 HE ARG 53 -1.184 -15.110 -6.868 360 HH11 ARG 53 1HH1 ARG 53 -0.849 -11.616 -7.207 361 HH12 ARG 53 2HH1 ARG 53 -1.634 -11.277 -5.728 362 HH21 ARG 53 1HH2 ARG 53 -2.265 -14.610 -4.841 363 HH22 ARG 53 2HH2 ARG 53 -2.400 -12.978 -4.338 364 H GLY 54 H GLY 54 6.258 -14.530 -7.246 365 HA2 GLY 54 2HA GLY 54 8.206 -15.165 -8.333 366 HA3 GLY 54 1HA GLY 54 7.222 -15.912 -9.599 367 H HIS 55 H HIS 55 6.407 -12.699 -8.752 368 HA HIS 55 HA HIS 55 7.922 -11.669 -11.045 369 HB2 HIS 55 2HB HIS 55 5.253 -10.717 -9.950 370 HB3 HIS 55 1HB HIS 55 6.146 -9.955 -11.269 371 HD1 HIS 55 1HD HIS 55 5.836 -11.002 -13.631 372 HD2 HIS 55 2HD HIS 55 3.991 -13.142 -10.577 373 HE1 HIS 55 1HE HIS 55 4.352 -12.677 -14.752 374 H GLU 56 H GLU 56 9.372 -10.116 -10.478 375 HA GLU 56 HA GLU 56 9.215 -9.117 -7.762 376 HB2 GLU 56 2HB GLU 56 11.487 -9.024 -9.740 377 HB3 GLU 56 1HB GLU 56 11.519 -8.274 -8.161 378 HG2 GLU 56 2HG GLU 56 12.681 -10.214 -7.782 379 HG3 GLU 56 1HG GLU 56 11.048 -10.695 -7.330 380 H PHE 57 H PHE 57 8.655 -7.062 -7.351 381 HA PHE 57 HA PHE 57 8.559 -5.203 -9.614 382 HB2 PHE 57 2HB PHE 57 6.995 -5.200 -7.012 383 HB3 PHE 57 1HB PHE 57 6.773 -4.129 -8.399 384 HD1 PHE 57 1HD PHE 57 5.739 -5.012 -10.475 385 HD2 PHE 57 2HD PHE 57 5.988 -7.325 -6.909 386 HE1 PHE 57 1HE PHE 57 4.007 -6.537 -11.339 387 HE2 PHE 57 2HE PHE 57 4.269 -8.847 -7.771 388 HZ PHE 57 HZ PHE 57 3.274 -8.458 -9.970 389 H GLU 58 H GLU 58 10.341 -3.914 -9.388 390 HA GLU 58 HA GLU 58 11.543 -3.549 -6.781 391 HB2 GLU 58 2HB GLU 58 12.721 -3.650 -9.042 392 HB3 GLU 58 1HB GLU 58 12.148 -1.993 -9.303 393 HG2 GLU 58 2HG GLU 58 14.325 -1.682 -8.461 394 HG3 GLU 58 1HG GLU 58 13.292 -1.561 -7.024 395 H VAL 59 H VAL 59 10.493 -2.239 -5.449 396 HA VAL 59 HA VAL 59 8.953 0.070 -6.522 397 HB VAL 59 HB VAL 59 7.637 0.091 -4.574 398 HG11 VAL 59 1HG1 VAL 59 6.671 -2.160 -4.342 399 HG12 VAL 59 2HG1 VAL 59 7.971 -2.771 -5.373 400 HG13 VAL 59 3HG1 VAL 59 6.820 -1.601 -6.002 401 HG21 VAL 59 1HG2 VAL 59 9.321 -0.208 -2.935 402 HG22 VAL 59 2HG2 VAL 59 9.483 -1.921 -3.357 403 HG23 VAL 59 3HG2 VAL 59 7.970 -1.314 -2.631 404 H GLU 60 H GLU 60 8.881 1.920 -5.236 405 HA GLU 60 HA GLU 60 10.995 2.207 -3.265 406 HB2 GLU 60 2HB GLU 60 11.793 3.436 -5.305 407 HB3 GLU 60 1HB GLU 60 10.293 4.379 -5.266 408 HG2 GLU 60 2HG GLU 60 10.903 5.292 -3.111 409 HG3 GLU 60 1HG GLU 60 12.354 4.303 -3.072 410 H ALA 61 H ALA 61 10.098 2.681 -1.470 411 HA ALA 61 HA ALA 61 7.325 3.488 -1.358 412 HB1 ALA 61 1HB ALA 61 9.371 3.305 0.871 413 HB2 ALA 61 2HB ALA 61 8.247 2.031 0.402 414 HB3 ALA 61 3HB ALA 61 7.637 3.533 1.097 415 H LYS 62 H LYS 62 7.232 5.336 -2.398 416 HA LYS 62 HA LYS 62 9.005 7.508 -2.317 417 HB2 LYS 62 2HB LYS 62 6.078 7.469 -3.113 418 HB3 LYS 62 1HB LYS 62 7.227 8.745 -3.473 419 HG2 LYS 62 2HG LYS 62 7.383 5.912 -4.427 420 HG3 LYS 62 1HG LYS 62 6.660 7.272 -5.306 421 HD2 LYS 62 2HD LYS 62 8.860 8.411 -5.226 422 HD3 LYS 62 1HD LYS 62 9.538 6.973 -4.462 423 HE2 LYS 62 2HE LYS 62 8.901 5.632 -6.381 424 HE3 LYS 62 1HE LYS 62 8.156 7.069 -7.088 425 HZ1 LYS 62 1HZ LYS 62 10.421 6.567 -8.003 426 HZ2 LYS 62 2HZ LYS 62 11.056 6.855 -6.438 427 HZ3 LYS 62 3HZ LYS 62 10.320 8.086 -7.285 428 H ASP 63 H ASP 63 5.737 7.224 -0.957 429 HA ASP 63 HA ASP 63 6.400 9.239 1.037 430 HB2 ASP 63 2HB ASP 63 5.552 10.503 -0.841 431 HB3 ASP 63 1HB ASP 63 4.178 9.420 -1.001 432 H GLN 64 H GLN 64 4.720 9.364 2.668 433 HA GLN 64 HA GLN 64 3.945 6.750 3.431 434 HB2 GLN 64 2HB GLN 64 2.968 8.094 5.495 435 HB3 GLN 64 1HB GLN 64 4.659 7.678 5.326 436 HG2 GLN 64 2HG GLN 64 4.418 9.959 6.072 437 HG3 GLN 64 1HG GLN 64 5.122 9.910 4.461 438 HE21 GLN 64 1HE2 GLN 64 4.564 11.986 3.984 439 HE22 GLN 64 2HE2 GLN 64 2.946 12.466 3.674 440 H ASN 65 H ASN 65 2.329 8.678 1.445 441 HA ASN 65 HA ASN 65 -0.338 7.931 2.207 442 HB2 ASN 65 2HB ASN 65 0.170 9.750 0.543 443 HB3 ASN 65 1HB ASN 65 0.798 8.515 -0.551 444 HD21 ASN 65 1HD2 ASN 65 -1.332 10.467 -0.910 445 HD22 ASN 65 2HD2 ASN 65 -2.751 9.568 -1.302 446 H CYS 66 H CYS 66 2.329 6.603 0.471 447 HA CYS 66 HA CYS 66 2.986 4.667 -0.117 448 HB2 CYS 66 2HB CYS 66 0.931 3.633 1.774 449 HB3 CYS 66 1HB CYS 66 2.088 2.598 0.924 450 H LYS 67 H LYS 67 1.739 5.677 -2.205 451 HA LYS 67 HA LYS 67 0.205 3.623 -3.380 452 HB2 LYS 67 2HB LYS 67 1.582 6.014 -4.149 453 HB3 LYS 67 1HB LYS 67 1.473 4.827 -5.486 454 HG2 LYS 67 2HG LYS 67 -0.207 6.484 -5.579 455 HG3 LYS 67 1HG LYS 67 -0.977 4.984 -5.064 456 HD2 LYS 67 2HD LYS 67 -0.996 5.621 -2.832 457 HD3 LYS 67 1HD LYS 67 0.035 6.999 -3.102 458 HE2 LYS 67 2HE LYS 67 -2.275 7.762 -2.884 459 HE3 LYS 67 1HE LYS 67 -1.454 8.035 -4.439 460 HZ1 LYS 67 1HZ LYS 67 -3.804 7.328 -4.730 461 HZ2 LYS 67 2HZ LYS 67 -3.479 5.882 -3.936 462 HZ3 LYS 67 3HZ LYS 67 -2.751 6.211 -5.409 463 H VAL 68 H VAL 68 0.965 2.218 -4.907 464 HA VAL 68 HA VAL 68 3.698 1.371 -4.346 465 HB VAL 68 HB VAL 68 2.199 -0.507 -4.138 466 HG11 VAL 68 1HG1 VAL 68 1.310 0.024 -6.966 467 HG12 VAL 68 2HG1 VAL 68 0.338 0.197 -5.503 468 HG13 VAL 68 3HG1 VAL 68 0.884 -1.398 -6.015 469 HG21 VAL 68 1HG2 VAL 68 4.407 -0.987 -5.058 470 HG22 VAL 68 2HG2 VAL 68 3.785 -0.761 -6.688 471 HG23 VAL 68 3HG2 VAL 68 3.197 -2.096 -5.700 472 H ILE 69 H ILE 69 5.029 2.514 -5.391 473 HA ILE 69 HA ILE 69 4.554 2.888 -8.255 474 HB ILE 69 HB ILE 69 6.014 4.805 -6.385 475 HG12 ILE 69 2HG1 ILE 69 3.432 5.158 -7.901 476 HG13 ILE 69 1HG1 ILE 69 3.527 4.666 -6.217 477 HG21 ILE 69 1HG2 ILE 69 5.331 5.061 -9.329 478 HG22 ILE 69 2HG2 ILE 69 6.928 4.698 -8.692 479 HG23 ILE 69 3HG2 ILE 69 6.180 6.260 -8.346 480 HD11 ILE 69 1HD1 ILE 69 3.017 7.061 -6.487 481 HD12 ILE 69 2HD1 ILE 69 4.528 7.270 -7.375 482 HD13 ILE 69 3HD1 ILE 69 4.559 6.820 -5.668 483 H LEU 70 H LEU 70 6.004 2.023 -9.487 484 HA LEU 70 HA LEU 70 8.070 0.621 -8.115 485 HB2 LEU 70 2HB LEU 70 7.280 0.480 -10.995 486 HB3 LEU 70 1HB LEU 70 8.508 -0.496 -10.223 487 HG LEU 70 HG LEU 70 6.685 -1.885 -10.373 488 HD11 LEU 70 1HD1 LEU 70 5.922 -2.299 -8.139 489 HD12 LEU 70 2HD1 LEU 70 6.574 -0.731 -7.675 490 HD13 LEU 70 3HD1 LEU 70 7.669 -2.005 -8.227 491 HD21 LEU 70 1HD2 LEU 70 4.444 -1.329 -9.870 492 HD22 LEU 70 2HD2 LEU 70 5.092 -0.063 -10.928 493 HD23 LEU 70 3HD2 LEU 70 4.945 0.221 -9.192 494 H THR 71 H THR 71 9.957 0.768 -8.445 495 HA THR 71 HA THR 71 10.807 3.450 -9.290 496 HB THR 71 HB THR 71 11.545 2.534 -7.048 497 HG1 THR 71 1HG THR 71 13.916 3.217 -7.715 498 HG21 THR 71 1HG2 THR 71 13.519 1.018 -8.756 499 HG22 THR 71 2HG2 THR 71 12.248 0.316 -7.757 500 HG23 THR 71 3HG2 THR 71 13.591 1.177 -7.000 501 H ASN 72 H ASN 72 10.530 0.537 -10.661 502 HA ASN 72 HA ASN 72 12.819 0.825 -12.414 503 HB2 ASN 72 2HB ASN 72 11.946 -1.255 -13.522 504 HB3 ASN 72 1HB ASN 72 12.353 -1.436 -11.809 505 HD21 ASN 72 1HD2 ASN 72 11.055 -3.349 -11.847 506 HD22 ASN 72 2HD2 ASN 72 9.343 -3.239 -11.814 507 H GLY 73 H GLY 73 9.575 1.719 -12.245 508 HA2 GLY 73 2HA GLY 73 9.116 3.746 -13.572 509 HA3 GLY 73 1HA GLY 73 9.822 2.879 -14.946 510 H LYS 74 H LYS 74 8.178 0.706 -13.148 511 HA LYS 74 HA LYS 74 6.017 0.581 -15.064 512 HB2 LYS 74 2HB LYS 74 6.870 -1.145 -12.766 513 HB3 LYS 74 1HB LYS 74 5.553 -1.526 -13.862 514 HG2 LYS 74 2HG LYS 74 8.243 -0.935 -14.903 515 HG3 LYS 74 1HG LYS 74 7.937 -2.522 -14.238 516 HD2 LYS 74 2HD LYS 74 5.934 -2.600 -15.852 517 HD3 LYS 74 1HD LYS 74 6.554 -1.104 -16.545 518 HE2 LYS 74 2HE LYS 74 7.280 -2.943 -17.891 519 HE3 LYS 74 1HE LYS 74 8.661 -2.258 -17.044 520 HZ1 LYS 74 1HZ LYS 74 8.561 -4.046 -15.440 521 HZ2 LYS 74 2HZ LYS 74 8.654 -4.695 -16.995 522 HZ3 LYS 74 3HZ LYS 74 7.193 -4.685 -16.167 523 H GLN 75 H GLN 75 3.944 0.130 -14.413 524 HA GLN 75 HA GLN 75 2.952 1.251 -11.893 525 HB2 GLN 75 2HB GLN 75 1.898 2.084 -13.982 526 HB3 GLN 75 1HB GLN 75 1.543 0.441 -14.453 527 HG2 GLN 75 2HG GLN 75 0.063 0.144 -12.534 528 HG3 GLN 75 1HG GLN 75 0.394 1.794 -12.018 529 HE21 GLN 75 1HE2 GLN 75 -1.832 2.225 -12.112 530 HE22 GLN 75 2HE2 GLN 75 -2.658 2.469 -13.597 531 H ALA 76 H ALA 76 2.010 -0.211 -10.474 532 HA ALA 76 HA ALA 76 2.559 -3.002 -11.019 533 HB1 ALA 76 1HB ALA 76 1.885 -3.295 -8.631 534 HB2 ALA 76 2HB ALA 76 1.807 -1.533 -8.474 535 HB3 ALA 76 3HB ALA 76 3.317 -2.343 -8.861 536 HA PRO 77 HA PRO 77 -1.655 -4.436 -11.750 537 HB2 PRO 77 2HB PRO 77 -0.983 -6.288 -9.528 538 HB3 PRO 77 1HB PRO 77 -1.641 -6.649 -11.141 539 HG2 PRO 77 2HG PRO 77 0.840 -7.203 -10.673 540 HG3 PRO 77 1HG PRO 77 0.398 -6.378 -12.194 541 HD2 PRO 77 2HD PRO 77 1.626 -5.234 -9.733 542 HD3 PRO 77 1HD PRO 77 1.981 -4.908 -11.450 543 H ASP 78 H ASP 78 -3.648 -4.599 -10.731 544 HA ASP 78 HA ASP 78 -4.207 -2.598 -8.838 545 HB2 ASP 78 2HB ASP 78 -5.736 -3.342 -10.666 546 HB3 ASP 78 1HB ASP 78 -5.970 -4.853 -9.806 547 H TRP 79 H TRP 79 -3.665 -5.997 -8.624 548 HA TRP 79 HA TRP 79 -4.721 -6.308 -5.993 549 HB2 TRP 79 2HB TRP 79 -3.693 -8.573 -6.077 550 HB3 TRP 79 1HB TRP 79 -4.751 -8.208 -7.436 551 HD1 TRP 79 HD TRP 79 -3.764 -8.360 -9.751 552 HE1 TRP 79 1HE TRP 79 -1.548 -9.204 -10.739 553 HE3 TRP 79 3HE TRP 79 -0.992 -8.559 -5.447 554 HZ2 TRP 79 2HZ TRP 79 1.049 -9.837 -9.813 555 HZ3 TRP 79 3HZ TRP 79 1.343 -9.280 -5.600 556 HH2 TRP 79 HH TRP 79 2.340 -9.912 -7.735 557 H LEU 80 H LEU 80 -1.790 -4.962 -7.080 558 HA LEU 80 HA LEU 80 -0.396 -5.857 -4.698 559 HB2 LEU 80 2HB LEU 80 0.734 -5.818 -6.935 560 HB3 LEU 80 1HB LEU 80 0.572 -4.057 -6.932 561 HG LEU 80 HG LEU 80 1.971 -3.978 -4.915 562 HD11 LEU 80 1HD1 LEU 80 2.316 -6.911 -5.454 563 HD12 LEU 80 2HD1 LEU 80 1.543 -6.196 -4.029 564 HD13 LEU 80 3HD1 LEU 80 3.281 -5.974 -4.316 565 HD21 LEU 80 1HD2 LEU 80 3.053 -3.664 -7.066 566 HD22 LEU 80 2HD2 LEU 80 3.229 -5.409 -7.252 567 HD23 LEU 80 3HD2 LEU 80 4.114 -4.564 -5.984 568 H ALA 81 H ALA 81 -0.749 -4.707 -2.920 569 HA ALA 81 HA ALA 81 -1.419 -1.841 -3.197 570 HB1 ALA 81 1HB ALA 81 -2.418 -3.781 -1.124 571 HB2 ALA 81 2HB ALA 81 -3.374 -3.152 -2.475 572 HB3 ALA 81 3HB ALA 81 -2.787 -2.066 -1.207 573 H ALA 82 H ALA 82 -0.843 -0.532 -1.494 574 HA ALA 82 HA ALA 82 0.991 -1.568 0.516 575 HB1 ALA 82 1HB ALA 82 1.557 0.841 -1.224 576 HB2 ALA 82 2HB ALA 82 2.427 -0.697 -1.278 577 HB3 ALA 82 3HB ALA 82 2.523 0.321 0.158 578 H GLU 83 H GLU 83 0.639 -0.614 2.479 579 HA GLU 83 HA GLU 83 -0.811 1.898 2.566 580 HB2 GLU 83 2HB GLU 83 -2.256 1.007 4.418 581 HB3 GLU 83 1HB GLU 83 -2.568 0.213 2.886 582 HG2 GLU 83 2HG GLU 83 -1.390 -1.723 3.630 583 HG3 GLU 83 1HG GLU 83 -0.873 -0.892 5.100 584 HA PRO 84 HA PRO 84 2.406 2.417 5.545 585 HB2 PRO 84 2HB PRO 84 1.567 4.557 6.959 586 HB3 PRO 84 1HB PRO 84 1.993 4.696 5.281 587 HG2 PRO 84 2HG PRO 84 -0.761 4.305 6.350 588 HG3 PRO 84 1HG PRO 84 -0.165 5.565 5.242 589 HD2 PRO 84 2HD PRO 84 -1.323 3.422 4.175 590 HD3 PRO 84 1HD PRO 84 0.196 4.115 3.535 591 H TYR 85 H TYR 85 2.904 1.474 7.350 592 HA TYR 85 HA TYR 85 1.255 -0.470 8.305 593 HB2 TYR 85 2HB TYR 85 3.147 -1.409 9.153 594 HB3 TYR 85 1HB TYR 85 3.821 -0.191 8.184 595 HD1 TYR 85 1HD TYR 85 4.558 2.050 9.316 596 HD2 TYR 85 2HD TYR 85 3.720 -1.513 11.467 597 HE1 TYR 85 1HE TYR 85 5.906 2.873 11.198 598 HE2 TYR 85 2HE TYR 85 5.047 -0.696 13.363 599 HH TYR 85 HH TYR 85 6.026 2.502 13.646 Start of MODEL 2 1 H SER 7 1HT SER 7 -9.369 -18.918 5.276 2 HA SER 7 HA SER 7 -11.243 -20.378 3.558 3 HB2 SER 7 2HB SER 7 -11.674 -20.535 6.039 4 HB3 SER 7 1HB SER 7 -11.711 -18.780 6.099 5 HG SER 7 HG SER 7 -13.419 -20.196 4.362 6 H GLY 8 H GLY 8 -11.925 -19.117 1.904 7 HA2 GLY 8 2HA GLY 8 -11.351 -16.259 2.024 8 HA3 GLY 8 1HA GLY 8 -11.699 -17.191 0.564 9 H ARG 9 H ARG 9 -13.031 -15.183 2.919 10 HA ARG 9 HA ARG 9 -15.682 -16.255 2.470 11 HB2 ARG 9 2HB ARG 9 -16.463 -14.537 4.124 12 HB3 ARG 9 1HB ARG 9 -15.414 -15.792 4.750 13 HG2 ARG 9 2HG ARG 9 -13.563 -14.270 4.857 14 HG3 ARG 9 1HG ARG 9 -14.486 -13.019 4.021 15 HD2 ARG 9 2HD ARG 9 -14.353 -12.719 6.503 16 HD3 ARG 9 1HD ARG 9 -15.990 -12.789 5.861 17 HE ARG 9 HE ARG 9 -15.090 -15.347 6.652 18 HH11 ARG 9 1HH1 ARG 9 -16.145 -12.288 8.120 19 HH12 ARG 9 2HH1 ARG 9 -16.955 -13.005 9.410 20 HH21 ARG 9 1HH2 ARG 9 -16.238 -16.356 8.424 21 HH22 ARG 9 2HH2 ARG 9 -17.003 -15.403 9.600 22 H GLU 10 H GLU 10 -17.123 -15.479 1.274 23 HA GLU 10 HA GLU 10 -16.684 -12.906 -0.037 24 HB2 GLU 10 2HB GLU 10 -18.427 -15.239 -0.835 25 HB3 GLU 10 1HB GLU 10 -18.368 -13.702 -1.699 26 HG2 GLU 10 2HG GLU 10 -16.042 -14.045 -2.186 27 HG3 GLU 10 1HG GLU 10 -16.062 -15.538 -1.249 28 H ASN 11 H ASN 11 -17.445 -11.589 1.290 29 HA ASN 11 HA ASN 11 -20.258 -11.590 2.045 30 HB2 ASN 11 2HB ASN 11 -18.876 -12.848 3.822 31 HB3 ASN 11 1HB ASN 11 -18.066 -11.322 4.129 32 HD21 ASN 11 1HD2 ASN 11 -20.950 -13.148 4.477 33 HD22 ASN 11 2HD2 ASN 11 -21.760 -12.111 5.582 34 H LEU 12 H LEU 12 -20.515 -9.305 3.286 35 HA LEU 12 HA LEU 12 -19.238 -7.368 1.623 36 HB2 LEU 12 2HB LEU 12 -20.513 -5.708 2.833 37 HB3 LEU 12 1HB LEU 12 -21.556 -7.067 2.497 38 HG LEU 12 HG LEU 12 -20.787 -7.737 4.940 39 HD11 LEU 12 1HD1 LEU 12 -19.351 -5.838 5.301 40 HD12 LEU 12 2HD1 LEU 12 -20.706 -5.813 6.426 41 HD13 LEU 12 3HD1 LEU 12 -20.700 -4.734 5.029 42 HD21 LEU 12 1HD2 LEU 12 -23.094 -7.525 4.207 43 HD22 LEU 12 2HD2 LEU 12 -22.981 -5.767 4.307 44 HD23 LEU 12 3HD2 LEU 12 -22.876 -6.742 5.771 45 H TYR 13 H TYR 13 -17.709 -5.887 2.277 46 HA TYR 13 HA TYR 13 -16.042 -7.029 4.358 47 HB2 TYR 13 2HB TYR 13 -14.130 -5.705 3.336 48 HB3 TYR 13 1HB TYR 13 -14.766 -7.034 2.392 49 HD1 TYR 13 1HD TYR 13 -16.345 -6.483 0.503 50 HD2 TYR 13 2HD TYR 13 -13.978 -3.519 2.412 51 HE1 TYR 13 1HE TYR 13 -16.617 -5.040 -1.438 52 HE2 TYR 13 2HE TYR 13 -14.257 -2.038 0.457 53 HH TYR 13 HH TYR 13 -14.743 -2.365 -2.011 54 H PHE 14 H PHE 14 -16.119 -6.252 6.202 55 HA PHE 14 HA PHE 14 -16.509 -3.392 6.514 56 HB2 PHE 14 2HB PHE 14 -17.772 -3.827 8.601 57 HB3 PHE 14 1HB PHE 14 -18.550 -4.510 7.198 58 HD1 PHE 14 1HD PHE 14 -18.321 -7.042 6.830 59 HD2 PHE 14 2HD PHE 14 -17.320 -5.116 10.490 60 HE1 PHE 14 1HE PHE 14 -18.541 -9.181 8.013 61 HE2 PHE 14 2HE PHE 14 -17.525 -7.255 11.677 62 HZ PHE 14 HZ PHE 14 -18.138 -9.294 10.441 63 H GLN 15 H GLN 15 -14.577 -2.657 6.877 64 HA GLN 15 HA GLN 15 -13.201 -3.579 9.229 65 HB2 GLN 15 2HB GLN 15 -11.047 -3.887 8.173 66 HB3 GLN 15 1HB GLN 15 -12.210 -4.972 7.450 67 HG2 GLN 15 2HG GLN 15 -11.198 -2.413 6.236 68 HG3 GLN 15 1HG GLN 15 -10.600 -4.021 5.866 69 HE21 GLN 15 1HE2 GLN 15 -13.026 -1.669 5.328 70 HE22 GLN 15 2HE2 GLN 15 -13.924 -2.513 4.118 71 H GLY 16 H GLY 16 -11.866 -2.047 10.100 72 HA2 GLY 16 2HA GLY 16 -12.146 0.623 8.885 73 HA3 GLY 16 1HA GLY 16 -12.242 0.343 10.622 74 H HIS 17 H HIS 17 -10.244 1.462 8.315 75 HA HIS 17 HA HIS 17 -7.909 0.670 9.869 76 HB2 HIS 17 2HB HIS 17 -8.176 0.629 6.880 77 HB3 HIS 17 1HB HIS 17 -6.605 0.799 7.652 78 HD1 HIS 17 1HD HIS 17 -5.565 -1.288 8.622 79 HD2 HIS 17 2HD HIS 17 -9.443 -1.888 7.289 80 HE1 HIS 17 1HE HIS 17 -5.936 -3.749 8.715 81 H MET 18 H MET 18 -6.790 2.242 10.588 82 HA MET 18 HA MET 18 -6.983 4.863 9.306 83 HB2 MET 18 2HB MET 18 -7.669 4.837 11.671 84 HB3 MET 18 1HB MET 18 -6.173 4.030 12.088 85 HG2 MET 18 2HG MET 18 -6.104 6.321 12.814 86 HG3 MET 18 1HG MET 18 -4.932 6.068 11.535 87 HE1 MET 18 1HE MET 18 -4.767 7.596 9.449 88 HE2 MET 18 2HE MET 18 -6.170 8.334 8.683 89 HE3 MET 18 3HE MET 18 -6.046 6.582 8.780 90 H ALA 19 H ALA 19 -5.517 4.377 7.726 91 HA ALA 19 HA ALA 19 -2.876 3.470 8.513 92 HB1 ALA 19 1HB ALA 19 -4.002 4.048 5.763 93 HB2 ALA 19 2HB ALA 19 -3.879 2.454 6.507 94 HB3 ALA 19 3HB ALA 19 -2.415 3.352 6.099 95 H ALA 20 H ALA 20 -2.010 5.090 9.546 96 HA ALA 20 HA ALA 20 -2.059 7.770 8.370 97 HB1 ALA 20 1HB ALA 20 -1.186 6.821 11.106 98 HB2 ALA 20 2HB ALA 20 -2.726 7.592 10.722 99 HB3 ALA 20 3HB ALA 20 -1.220 8.502 10.571 100 HA PRO 21 HA PRO 21 2.149 7.604 6.808 101 HB2 PRO 21 2HB PRO 21 2.332 10.091 8.496 102 HB3 PRO 21 1HB PRO 21 2.934 9.832 6.844 103 HG2 PRO 21 2HG PRO 21 0.737 11.157 7.116 104 HG3 PRO 21 1HG PRO 21 0.797 9.845 5.917 105 HD2 PRO 21 2HD PRO 21 -0.521 9.857 8.592 106 HD3 PRO 21 1HD PRO 21 -1.044 9.117 7.063 107 H ALA 22 H ALA 22 3.291 6.014 7.811 108 HA ALA 22 HA ALA 22 4.213 6.604 10.522 109 HB1 ALA 22 1HB ALA 22 3.427 3.896 9.472 110 HB2 ALA 22 2HB ALA 22 2.479 4.893 10.576 111 HB3 ALA 22 3HB ALA 22 4.031 4.227 11.094 112 H ARG 23 H ARG 23 5.249 6.721 7.807 113 HA ARG 23 HA ARG 23 7.264 6.901 6.856 114 HB2 ARG 23 2HB ARG 23 7.793 7.524 9.308 115 HB3 ARG 23 1HB ARG 23 8.613 5.974 9.370 116 HG2 ARG 23 2HG ARG 23 10.149 6.650 7.658 117 HG3 ARG 23 1HG ARG 23 9.239 8.134 7.370 118 HD2 ARG 23 2HD ARG 23 9.683 8.780 9.739 119 HD3 ARG 23 1HD ARG 23 10.771 7.395 9.865 120 HE ARG 23 HE ARG 23 11.511 8.869 7.641 121 HH11 ARG 23 1HH1 ARG 23 11.408 9.402 11.154 122 HH12 ARG 23 2HH1 ARG 23 12.702 10.488 11.163 123 HH21 ARG 23 1HH2 ARG 23 13.265 10.365 7.652 124 HH22 ARG 23 2HH2 ARG 23 13.790 11.059 9.113 125 H SER 24 H SER 24 5.776 4.350 6.853 126 HA SER 24 HA SER 24 7.689 2.868 5.340 127 HB2 SER 24 2HB SER 24 6.508 1.724 7.861 128 HB3 SER 24 1HB SER 24 7.208 0.701 6.606 129 HG SER 24 HG SER 24 8.708 2.848 7.557 130 H CYS 25 H CYS 25 6.660 1.670 3.737 131 HA CYS 25 HA CYS 25 3.735 1.747 3.693 132 HB2 CYS 25 2HB CYS 25 5.795 1.607 1.477 133 HB3 CYS 25 1HB CYS 25 4.048 1.465 1.238 134 H VAL 26 H VAL 26 2.732 -0.178 3.574 135 HA VAL 26 HA VAL 26 4.461 -2.551 3.509 136 HB VAL 26 HB VAL 26 1.691 -2.421 4.725 137 HG11 VAL 26 1HG1 VAL 26 2.496 -4.206 6.061 138 HG12 VAL 26 2HG1 VAL 26 4.095 -4.068 5.331 139 HG13 VAL 26 3HG1 VAL 26 2.711 -4.616 4.346 140 HG21 VAL 26 1HG2 VAL 26 2.917 -0.671 5.648 141 HG22 VAL 26 2HG2 VAL 26 4.256 -1.768 6.018 142 HG23 VAL 26 3HG2 VAL 26 2.669 -1.980 6.801 143 H TYR 27 H TYR 27 4.109 -3.902 1.931 144 HA TYR 27 HA TYR 27 1.947 -3.271 0.095 145 HB2 TYR 27 2HB TYR 27 4.526 -4.804 -0.353 146 HB3 TYR 27 1HB TYR 27 3.314 -4.479 -1.596 147 HD1 TYR 27 1HD TYR 27 5.692 -2.851 0.725 148 HD2 TYR 27 2HD TYR 27 3.250 -2.360 -2.716 149 HE1 TYR 27 1HE TYR 27 6.683 -0.660 0.358 150 HE2 TYR 27 2HE TYR 27 4.273 -0.131 -3.090 151 HH TYR 27 HH TYR 27 5.393 1.614 -1.832 152 H TYR 28 H TYR 28 0.375 -4.565 -0.267 153 HA TYR 28 HA TYR 28 0.380 -7.220 0.974 154 HB2 TYR 28 2HB TYR 28 -1.819 -5.159 0.827 155 HB3 TYR 28 1HB TYR 28 -2.053 -6.846 1.278 156 HD1 TYR 28 1HD TYR 28 -1.586 -7.576 3.497 157 HD2 TYR 28 2HD TYR 28 -0.544 -3.600 2.342 158 HE1 TYR 28 1HE TYR 28 -1.217 -6.991 5.839 159 HE2 TYR 28 2HE TYR 28 -0.172 -3.052 4.676 160 HH TYR 28 HH TYR 28 -0.907 -3.738 6.788 161 H ASP 29 H ASP 29 -0.587 -8.764 -0.173 162 HA ASP 29 HA ASP 29 -1.389 -8.270 -2.949 163 HB2 ASP 29 2HB ASP 29 -0.030 -10.199 -2.506 164 HB3 ASP 29 1HB ASP 29 -1.104 -10.674 -1.197 165 H GLY 30 H GLY 30 -3.438 -7.448 -3.027 166 HA2 GLY 30 2HA GLY 30 -5.531 -9.063 -2.011 167 HA3 GLY 30 1HA GLY 30 -5.345 -7.664 -0.988 168 H HIS 31 H HIS 31 -7.260 -8.720 -2.861 169 HA HIS 31 HA HIS 31 -7.555 -6.625 -4.859 170 HB2 HIS 31 2HB HIS 31 -9.262 -9.006 -4.111 171 HB3 HIS 31 1HB HIS 31 -9.734 -7.836 -5.347 172 HD1 HIS 31 1HD HIS 31 -9.184 -8.618 -7.632 173 HD2 HIS 31 2HD HIS 31 -6.564 -10.186 -4.822 174 HE1 HIS 31 1HE HIS 31 -7.621 -10.130 -8.905 175 H LEU 32 H LEU 32 -8.796 -7.614 -1.768 176 HA LEU 32 HA LEU 32 -10.420 -5.176 -1.568 177 HB2 LEU 32 2HB LEU 32 -10.747 -7.931 -0.371 178 HB3 LEU 32 1HB LEU 32 -11.444 -6.535 0.402 179 HG LEU 32 HG LEU 32 -12.852 -6.165 -1.526 180 HD11 LEU 32 1HD1 LEU 32 -13.099 -7.914 -3.268 181 HD12 LEU 32 2HD1 LEU 32 -11.725 -8.773 -2.579 182 HD13 LEU 32 3HD1 LEU 32 -11.492 -7.185 -3.307 183 HD21 LEU 32 1HD2 LEU 32 -14.334 -8.104 -1.207 184 HD22 LEU 32 2HD2 LEU 32 -13.709 -7.443 0.302 185 HD23 LEU 32 3HD2 LEU 32 -13.024 -8.929 -0.361 186 HA PRO 33 HA PRO 33 -7.583 -4.109 1.731 187 HB2 PRO 33 2HB PRO 33 -9.390 -3.165 3.622 188 HB3 PRO 33 1HB PRO 33 -8.749 -2.190 2.283 189 HG2 PRO 33 2HG PRO 33 -11.356 -3.586 2.494 190 HG3 PRO 33 1HG PRO 33 -10.960 -2.015 1.764 191 HD2 PRO 33 2HD PRO 33 -11.386 -4.168 0.249 192 HD3 PRO 33 1HD PRO 33 -10.160 -2.953 -0.183 193 H ALA 34 H ALA 34 -10.310 -6.146 2.159 194 HA ALA 34 HA ALA 34 -9.444 -7.188 4.726 195 HB1 ALA 34 1HB ALA 34 -11.436 -8.571 4.646 196 HB2 ALA 34 2HB ALA 34 -11.719 -8.098 2.972 197 HB3 ALA 34 3HB ALA 34 -11.835 -6.896 4.258 198 H THR 35 H THR 35 -9.111 -8.115 1.326 199 HA THR 35 HA THR 35 -8.397 -10.822 2.104 200 HB THR 35 HB THR 35 -8.356 -11.257 -0.380 201 HG1 THR 35 1HG THR 35 -9.545 -9.697 -1.599 202 HG21 THR 35 1HG2 THR 35 -10.907 -10.161 0.788 203 HG22 THR 35 2HG2 THR 35 -10.289 -11.801 0.984 204 HG23 THR 35 3HG2 THR 35 -10.795 -11.230 -0.609 205 H ARG 36 H ARG 36 -6.827 -8.430 2.569 206 HA ARG 36 HA ARG 36 -4.496 -8.226 1.045 207 HB2 ARG 36 2HB ARG 36 -3.638 -7.134 3.111 208 HB3 ARG 36 1HB ARG 36 -5.190 -6.509 2.565 209 HG2 ARG 36 2HG ARG 36 -6.372 -7.655 4.268 210 HG3 ARG 36 1HG ARG 36 -4.964 -8.635 4.679 211 HD2 ARG 36 2HD ARG 36 -5.276 -6.937 6.346 212 HD3 ARG 36 1HD ARG 36 -3.820 -6.651 5.391 213 HE ARG 36 HE ARG 36 -6.153 -5.252 4.487 214 HH11 ARG 36 1HH1 ARG 36 -3.373 -5.113 6.695 215 HH12 ARG 36 2HH1 ARG 36 -3.253 -3.415 6.640 216 HH21 ARG 36 1HH2 ARG 36 -5.945 -2.827 4.482 217 HH22 ARG 36 2HH2 ARG 36 -4.690 -2.147 5.425 218 H VAL 37 H VAL 37 -2.721 -9.482 0.967 219 HA VAL 37 HA VAL 37 -2.097 -11.212 3.258 220 HB VAL 37 HB VAL 37 -1.219 -11.615 0.377 221 HG11 VAL 37 1HG1 VAL 37 -0.414 -13.778 1.114 222 HG12 VAL 37 2HG1 VAL 37 -0.886 -13.395 2.769 223 HG13 VAL 37 3HG1 VAL 37 0.384 -12.463 1.974 224 HG21 VAL 37 1HG2 VAL 37 -3.291 -13.146 1.941 225 HG22 VAL 37 2HG2 VAL 37 -2.718 -13.545 0.317 226 HG23 VAL 37 3HG2 VAL 37 -3.612 -12.049 0.598 227 H LEU 38 H LEU 38 -0.416 -10.551 4.316 228 HA LEU 38 HA LEU 38 1.084 -8.252 3.794 229 HB2 LEU 38 2HB LEU 38 0.558 -9.305 5.996 230 HB3 LEU 38 1HB LEU 38 1.701 -10.564 5.636 231 HG LEU 38 HG LEU 38 2.476 -8.899 7.290 232 HD11 LEU 38 1HD1 LEU 38 4.713 -8.480 6.385 233 HD12 LEU 38 2HD1 LEU 38 4.145 -8.953 4.786 234 HD13 LEU 38 3HD1 LEU 38 4.177 -10.134 6.094 235 HD21 LEU 38 1HD2 LEU 38 1.393 -6.950 6.413 236 HD22 LEU 38 2HD2 LEU 38 2.428 -6.989 4.982 237 HD23 LEU 38 3HD2 LEU 38 3.126 -6.674 6.570 238 H LEU 39 H LEU 39 2.459 -8.070 2.089 239 HA LEU 39 HA LEU 39 4.116 -10.336 1.335 240 HB2 LEU 39 2HB LEU 39 3.837 -7.619 0.078 241 HB3 LEU 39 1HB LEU 39 4.809 -8.925 -0.564 242 HG LEU 39 HG LEU 39 1.801 -8.912 -0.293 243 HD11 LEU 39 1HD1 LEU 39 3.601 -8.817 -2.706 244 HD12 LEU 39 2HD1 LEU 39 2.637 -7.482 -2.077 245 HD13 LEU 39 3HD1 LEU 39 1.841 -8.912 -2.733 246 HD21 LEU 39 1HD2 LEU 39 3.677 -10.982 -1.393 247 HD22 LEU 39 2HD2 LEU 39 1.909 -11.031 -1.507 248 HD23 LEU 39 3HD2 LEU 39 2.703 -11.126 0.072 249 H MET 40 H MET 40 4.762 -6.857 1.962 250 HA MET 40 HA MET 40 7.157 -7.452 3.440 251 HB2 MET 40 2HB MET 40 7.775 -7.785 1.053 252 HB3 MET 40 1HB MET 40 7.290 -6.111 0.737 253 HG2 MET 40 2HG MET 40 8.983 -5.323 2.265 254 HG3 MET 40 1HG MET 40 9.300 -7.020 2.649 255 HE1 MET 40 1HE MET 40 10.556 -8.703 0.936 256 HE2 MET 40 2HE MET 40 10.987 -8.269 -0.716 257 HE3 MET 40 3HE MET 40 9.294 -8.396 -0.258 258 H TYR 41 H TYR 41 7.919 -5.665 4.531 259 HA TYR 41 HA TYR 41 6.371 -3.164 4.445 260 HB2 TYR 41 2HB TYR 41 8.434 -4.227 6.406 261 HB3 TYR 41 1HB TYR 41 7.664 -2.661 6.530 262 HD1 TYR 41 1HD TYR 41 5.682 -2.437 7.750 263 HD2 TYR 41 2HD TYR 41 6.961 -6.309 6.573 264 HE1 TYR 41 1HE TYR 41 3.942 -3.439 9.174 265 HE2 TYR 41 2HE TYR 41 5.230 -7.318 7.986 266 HH TYR 41 HH TYR 41 2.684 -5.525 9.284 267 H VAL 42 H VAL 42 7.337 -1.377 3.560 268 HA VAL 42 HA VAL 42 10.248 -1.431 3.123 269 HB VAL 42 HB VAL 42 8.233 -0.059 1.354 270 HG11 VAL 42 1HG1 VAL 42 11.181 -0.588 0.981 271 HG12 VAL 42 2HG1 VAL 42 10.446 0.971 1.346 272 HG13 VAL 42 3HG1 VAL 42 10.121 0.183 -0.197 273 HG21 VAL 42 1HG2 VAL 42 8.715 -1.814 -0.290 274 HG22 VAL 42 2HG2 VAL 42 7.941 -2.426 1.178 275 HG23 VAL 42 3HG2 VAL 42 9.674 -2.665 0.936 276 H ARG 43 H ARG 43 11.263 0.376 3.927 277 HA ARG 43 HA ARG 43 9.686 2.160 5.531 278 HB2 ARG 43 2HB ARG 43 11.811 1.023 6.208 279 HB3 ARG 43 1HB ARG 43 12.678 2.002 5.051 280 HG2 ARG 43 2HG ARG 43 11.127 3.156 7.353 281 HG3 ARG 43 1HG ARG 43 12.792 2.630 7.509 282 HD2 ARG 43 2HD ARG 43 13.373 4.224 5.679 283 HD3 ARG 43 1HD ARG 43 11.711 4.808 5.734 284 HE ARG 43 HE ARG 43 12.445 5.034 8.274 285 HH11 ARG 43 1HH1 ARG 43 13.893 6.182 5.265 286 HH12 ARG 43 2HH1 ARG 43 14.873 7.355 6.003 287 HH21 ARG 43 1HH2 ARG 43 13.766 6.661 9.307 288 HH22 ARG 43 2HH2 ARG 43 14.797 7.640 8.358 289 H ILE 44 H ILE 44 9.460 4.317 5.135 290 HA ILE 44 HA ILE 44 9.383 5.233 2.432 291 HB ILE 44 HB ILE 44 9.501 7.112 4.807 292 HG12 ILE 44 2HG1 ILE 44 7.669 5.459 4.880 293 HG13 ILE 44 1HG1 ILE 44 7.129 7.142 4.911 294 HG21 ILE 44 1HG2 ILE 44 9.924 8.278 2.696 295 HG22 ILE 44 2HG2 ILE 44 8.335 8.727 3.322 296 HG23 ILE 44 3HG2 ILE 44 8.466 7.574 2.005 297 HD11 ILE 44 1HD1 ILE 44 6.459 6.862 2.545 298 HD12 ILE 44 2HD1 ILE 44 5.643 5.787 3.658 299 HD13 ILE 44 3HD1 ILE 44 6.933 5.154 2.641 300 H GLY 45 H GLY 45 10.806 5.891 1.171 301 HA2 GLY 45 2HA GLY 45 12.634 7.338 0.501 302 HA3 GLY 45 1HA GLY 45 13.359 7.065 2.084 303 H ASN 46 H ASN 46 12.335 4.218 1.664 304 HA ASN 46 HA ASN 46 14.853 3.249 0.602 305 HB2 ASN 46 2HB ASN 46 14.391 2.687 2.837 306 HB3 ASN 46 1HB ASN 46 12.781 2.131 2.357 307 HD21 ASN 46 1HD2 ASN 46 16.158 1.399 2.565 308 HD22 ASN 46 2HD2 ASN 46 16.012 -0.292 2.259 309 H THR 47 H THR 47 14.850 1.385 -0.591 310 HA THR 47 HA THR 47 12.489 0.963 -2.293 311 HB THR 47 HB THR 47 14.101 0.052 -3.903 312 HG1 THR 47 1HG THR 47 16.012 -0.030 -2.696 313 HG21 THR 47 1HG2 THR 47 13.021 2.134 -4.364 314 HG22 THR 47 2HG2 THR 47 14.707 2.313 -4.858 315 HG23 THR 47 3HG2 THR 47 14.143 3.017 -3.336 316 H ALA 48 H ALA 48 12.053 -1.066 -2.920 317 HA ALA 48 HA ALA 48 13.565 -3.297 -1.827 318 HB1 ALA 48 1HB ALA 48 10.742 -2.912 -0.889 319 HB2 ALA 48 2HB ALA 48 12.191 -2.641 0.082 320 HB3 ALA 48 3HB ALA 48 11.803 -4.262 -0.494 321 H THR 49 H THR 49 13.528 -4.947 -3.050 322 HA THR 49 HA THR 49 11.937 -5.310 -5.365 323 HB THR 49 HB THR 49 13.558 -7.436 -4.005 324 HG1 THR 49 1HG THR 49 14.448 -4.945 -5.034 325 HG21 THR 49 1HG2 THR 49 14.318 -7.838 -6.301 326 HG22 THR 49 2HG2 THR 49 13.406 -6.438 -6.857 327 HG23 THR 49 3HG2 THR 49 12.559 -7.849 -6.218 328 H ILE 50 H ILE 50 9.808 -5.882 -5.075 329 HA ILE 50 HA ILE 50 9.014 -7.740 -2.922 330 HB ILE 50 HB ILE 50 7.262 -6.522 -5.061 331 HG12 ILE 50 2HG1 ILE 50 8.345 -4.671 -3.901 332 HG13 ILE 50 1HG1 ILE 50 6.624 -4.750 -3.499 333 HG21 ILE 50 1HG2 ILE 50 5.441 -6.881 -3.458 334 HG22 ILE 50 2HG2 ILE 50 6.589 -7.611 -2.336 335 HG23 ILE 50 3HG2 ILE 50 6.265 -8.380 -3.891 336 HD11 ILE 50 1HD1 ILE 50 7.970 -4.228 -1.568 337 HD12 ILE 50 2HD1 ILE 50 8.906 -5.715 -1.832 338 HD13 ILE 50 3HD1 ILE 50 7.192 -5.816 -1.404 339 H THR 51 H THR 51 9.404 -9.848 -3.546 340 HA THR 51 HA THR 51 8.788 -10.526 -6.304 341 HB THR 51 HB THR 51 10.040 -12.114 -4.059 342 HG1 THR 51 1HG THR 51 11.288 -11.466 -6.466 343 HG21 THR 51 1HG2 THR 51 10.569 -13.812 -5.756 344 HG22 THR 51 2HG2 THR 51 9.661 -12.892 -6.957 345 HG23 THR 51 3HG2 THR 51 8.824 -13.615 -5.580 346 H ALA 52 H ALA 52 6.890 -11.217 -6.819 347 HA ALA 52 HA ALA 52 5.366 -13.019 -5.139 348 HB1 ALA 52 1HB ALA 52 3.296 -11.677 -5.451 349 HB2 ALA 52 2HB ALA 52 4.271 -10.384 -6.157 350 HB3 ALA 52 3HB ALA 52 4.493 -10.833 -4.468 351 H ARG 53 H ARG 53 4.542 -14.552 -6.440 352 HA ARG 53 HA ARG 53 4.050 -15.792 -8.260 353 HB2 ARG 53 2HB ARG 53 3.468 -13.127 -9.542 354 HB3 ARG 53 1HB ARG 53 3.163 -14.690 -10.310 355 HG2 ARG 53 2HG ARG 53 1.614 -15.229 -8.481 356 HG3 ARG 53 1HG ARG 53 1.911 -13.605 -7.819 357 HD2 ARG 53 2HD ARG 53 -0.157 -13.724 -9.189 358 HD3 ARG 53 1HD ARG 53 1.028 -12.589 -9.835 359 HE ARG 53 HE ARG 53 1.561 -14.945 -11.092 360 HH11 ARG 53 1HH1 ARG 53 -1.340 -12.923 -10.876 361 HH12 ARG 53 2HH1 ARG 53 -1.903 -13.375 -12.424 362 HH21 ARG 53 1HH2 ARG 53 0.788 -15.536 -13.165 363 HH22 ARG 53 2HH2 ARG 53 -0.668 -14.888 -13.756 364 H GLY 54 H GLY 54 6.642 -14.628 -7.837 365 HA2 GLY 54 2HA GLY 54 8.742 -15.049 -8.818 366 HA3 GLY 54 1HA GLY 54 7.895 -15.569 -10.285 367 H HIS 55 H HIS 55 6.740 -12.602 -9.224 368 HA HIS 55 HA HIS 55 8.378 -11.191 -11.208 369 HB2 HIS 55 2HB HIS 55 5.693 -10.489 -9.975 370 HB3 HIS 55 1HB HIS 55 6.591 -9.451 -11.085 371 HD1 HIS 55 1HD HIS 55 5.245 -9.455 -13.203 372 HD2 HIS 55 2HD HIS 55 5.516 -13.241 -11.506 373 HE1 HIS 55 1HE HIS 55 4.092 -11.030 -14.790 374 H GLU 56 H GLU 56 9.885 -9.856 -10.387 375 HA GLU 56 HA GLU 56 9.735 -8.938 -7.669 376 HB2 GLU 56 2HB GLU 56 11.737 -8.572 -9.895 377 HB3 GLU 56 1HB GLU 56 11.865 -7.725 -8.368 378 HG2 GLU 56 2HG GLU 56 13.321 -9.604 -8.239 379 HG3 GLU 56 1HG GLU 56 11.871 -9.888 -7.260 380 H PHE 57 H PHE 57 8.678 -7.072 -7.190 381 HA PHE 57 HA PHE 57 8.439 -5.034 -9.283 382 HB2 PHE 57 2HB PHE 57 7.035 -5.283 -6.596 383 HB3 PHE 57 1HB PHE 57 6.713 -4.092 -7.853 384 HD1 PHE 57 1HD PHE 57 5.545 -4.764 -9.910 385 HD2 PHE 57 2HD PHE 57 6.096 -7.456 -6.661 386 HE1 PHE 57 1HE PHE 57 3.774 -6.215 -10.808 387 HE2 PHE 57 2HE PHE 57 4.330 -8.906 -7.555 388 HZ PHE 57 HZ PHE 57 3.159 -8.287 -9.613 389 H GLU 58 H GLU 58 10.235 -3.738 -9.078 390 HA GLU 58 HA GLU 58 11.455 -3.500 -6.444 391 HB2 GLU 58 2HB GLU 58 12.672 -3.565 -8.705 392 HB3 GLU 58 1HB GLU 58 12.148 -1.885 -8.905 393 HG2 GLU 58 2HG GLU 58 14.312 -1.664 -8.009 394 HG3 GLU 58 1HG GLU 58 13.254 -1.568 -6.592 395 H VAL 59 H VAL 59 10.418 -2.218 -5.110 396 HA VAL 59 HA VAL 59 8.897 0.077 -6.205 397 HB VAL 59 HB VAL 59 7.471 0.022 -4.335 398 HG11 VAL 59 1HG1 VAL 59 7.945 -2.841 -5.097 399 HG12 VAL 59 2HG1 VAL 59 6.816 -1.712 -5.850 400 HG13 VAL 59 3HG1 VAL 59 6.554 -2.251 -4.195 401 HG21 VAL 59 1HG2 VAL 59 9.087 -0.233 -2.649 402 HG22 VAL 59 2HG2 VAL 59 9.337 -1.933 -3.092 403 HG23 VAL 59 3HG2 VAL 59 7.768 -1.398 -2.405 404 H GLU 60 H GLU 60 8.816 1.943 -4.974 405 HA GLU 60 HA GLU 60 10.946 2.243 -3.004 406 HB2 GLU 60 2HB GLU 60 11.659 3.485 -5.045 407 HB3 GLU 60 1HB GLU 60 10.114 4.346 -5.033 408 HG2 GLU 60 2HG GLU 60 10.694 5.353 -2.900 409 HG3 GLU 60 1HG GLU 60 12.193 4.447 -2.868 410 H ALA 61 H ALA 61 9.923 2.488 -1.165 411 HA ALA 61 HA ALA 61 7.223 3.560 -1.111 412 HB1 ALA 61 1HB ALA 61 7.874 1.911 0.599 413 HB2 ALA 61 2HB ALA 61 7.431 3.436 1.361 414 HB3 ALA 61 3HB ALA 61 9.132 2.998 1.186 415 H LYS 62 H LYS 62 7.456 5.491 -2.042 416 HA LYS 62 HA LYS 62 9.495 7.273 -1.049 417 HB2 LYS 62 2HB LYS 62 8.990 8.606 -3.091 418 HB3 LYS 62 1HB LYS 62 9.648 7.004 -3.364 419 HG2 LYS 62 2HG LYS 62 7.164 6.322 -3.627 420 HG3 LYS 62 1HG LYS 62 6.900 8.055 -3.859 421 HD2 LYS 62 2HD LYS 62 8.784 6.330 -5.481 422 HD3 LYS 62 1HD LYS 62 7.155 6.751 -5.961 423 HE2 LYS 62 2HE LYS 62 8.691 8.134 -7.168 424 HE3 LYS 62 1HE LYS 62 7.863 9.146 -6.004 425 HZ1 LYS 62 1HZ LYS 62 10.279 9.539 -6.229 426 HZ2 LYS 62 2HZ LYS 62 10.578 8.029 -5.521 427 HZ3 LYS 62 3HZ LYS 62 9.792 9.230 -4.661 428 H ASP 63 H ASP 63 6.047 7.028 -0.770 429 HA ASP 63 HA ASP 63 6.086 9.612 0.494 430 HB2 ASP 63 2HB ASP 63 5.301 10.036 -1.809 431 HB3 ASP 63 1HB ASP 63 4.105 8.757 -1.643 432 H GLN 64 H GLN 64 4.601 9.720 2.130 433 HA GLN 64 HA GLN 64 4.067 7.371 3.570 434 HB2 GLN 64 2HB GLN 64 2.940 10.107 3.830 435 HB3 GLN 64 1HB GLN 64 2.790 8.815 5.012 436 HG2 GLN 64 2HG GLN 64 5.513 9.655 4.134 437 HG3 GLN 64 1HG GLN 64 4.657 10.657 5.300 438 HE21 GLN 64 1HE2 GLN 64 6.089 10.216 6.917 439 HE22 GLN 64 2HE2 GLN 64 6.217 8.711 7.720 440 H ASN 65 H ASN 65 2.254 8.690 0.997 441 HA ASN 65 HA ASN 65 -0.266 7.816 2.129 442 HB2 ASN 65 2HB ASN 65 0.408 9.033 -0.548 443 HB3 ASN 65 1HB ASN 65 -1.214 8.467 -0.116 444 HD21 ASN 65 1HD2 ASN 65 1.250 10.828 0.489 445 HD22 ASN 65 2HD2 ASN 65 0.272 11.942 1.392 446 H CYS 66 H CYS 66 2.309 6.528 0.663 447 HA CYS 66 HA CYS 66 2.872 4.620 -0.133 448 HB2 CYS 66 2HB CYS 66 0.735 3.698 1.727 449 HB3 CYS 66 1HB CYS 66 1.949 2.642 0.984 450 H LYS 67 H LYS 67 1.744 5.651 -2.200 451 HA LYS 67 HA LYS 67 0.065 3.672 -3.341 452 HB2 LYS 67 2HB LYS 67 1.600 5.943 -4.386 453 HB3 LYS 67 1HB LYS 67 1.033 4.727 -5.567 454 HG2 LYS 67 2HG LYS 67 -0.368 6.602 -5.476 455 HG3 LYS 67 1HG LYS 67 -1.221 5.283 -4.673 456 HD2 LYS 67 2HD LYS 67 -0.547 5.977 -2.575 457 HD3 LYS 67 1HD LYS 67 0.444 7.300 -3.192 458 HE2 LYS 67 2HE LYS 67 -1.641 8.265 -2.468 459 HE3 LYS 67 1HE LYS 67 -1.395 8.187 -4.242 460 HZ1 LYS 67 1HZ LYS 67 -3.011 6.188 -2.760 461 HZ2 LYS 67 2HZ LYS 67 -3.000 6.444 -4.432 462 HZ3 LYS 67 3HZ LYS 67 -3.719 7.557 -3.407 463 H VAL 68 H VAL 68 0.744 2.295 -4.893 464 HA VAL 68 HA VAL 68 3.435 1.358 -4.304 465 HB VAL 68 HB VAL 68 1.913 -0.514 -4.266 466 HG11 VAL 68 1HG1 VAL 68 0.148 0.313 -5.711 467 HG12 VAL 68 2HG1 VAL 68 0.684 -1.284 -6.238 468 HG13 VAL 68 3HG1 VAL 68 1.199 0.157 -7.117 469 HG21 VAL 68 1HG2 VAL 68 3.631 -0.641 -6.740 470 HG22 VAL 68 2HG2 VAL 68 3.003 -2.023 -5.842 471 HG23 VAL 68 3HG2 VAL 68 4.172 -0.944 -5.092 472 H ILE 69 H ILE 69 4.862 2.465 -5.199 473 HA ILE 69 HA ILE 69 4.580 3.020 -8.043 474 HB ILE 69 HB ILE 69 5.891 4.798 -5.948 475 HG12 ILE 69 2HG1 ILE 69 3.468 5.295 -7.680 476 HG13 ILE 69 1HG1 ILE 69 3.391 4.709 -6.027 477 HG21 ILE 69 1HG2 ILE 69 5.557 5.182 -8.935 478 HG22 ILE 69 2HG2 ILE 69 7.081 4.866 -8.103 479 HG23 ILE 69 3HG2 ILE 69 6.217 6.378 -7.824 480 HD11 ILE 69 1HD1 ILE 69 2.950 7.103 -6.135 481 HD12 ILE 69 2HD1 ILE 69 4.480 7.353 -6.967 482 HD13 ILE 69 3HD1 ILE 69 4.473 6.811 -5.288 483 H LEU 70 H LEU 70 6.086 2.165 -9.179 484 HA LEU 70 HA LEU 70 8.090 0.743 -7.753 485 HB2 LEU 70 2HB LEU 70 7.484 0.768 -10.690 486 HB3 LEU 70 1HB LEU 70 8.677 -0.248 -9.912 487 HG LEU 70 HG LEU 70 6.874 -1.660 -10.222 488 HD11 LEU 70 1HD1 LEU 70 5.982 -2.205 -8.092 489 HD12 LEU 70 2HD1 LEU 70 6.587 -0.673 -7.470 490 HD13 LEU 70 3HD1 LEU 70 7.725 -1.898 -8.050 491 HD21 LEU 70 1HD2 LEU 70 5.076 0.461 -9.137 492 HD22 LEU 70 2HD2 LEU 70 4.577 -1.130 -9.757 493 HD23 LEU 70 3HD2 LEU 70 5.277 0.079 -10.846 494 H THR 71 H THR 71 10.074 0.888 -8.142 495 HA THR 71 HA THR 71 10.859 3.697 -8.518 496 HB THR 71 HB THR 71 11.731 2.320 -6.584 497 HG1 THR 71 1HG THR 71 12.717 4.328 -7.474 498 HG21 THR 71 1HG2 THR 71 13.754 0.984 -6.959 499 HG22 THR 71 2HG2 THR 71 13.560 1.199 -8.698 500 HG23 THR 71 3HG2 THR 71 12.348 0.308 -7.781 501 H ASN 72 H ASN 72 10.670 1.043 -10.498 502 HA ASN 72 HA ASN 72 12.946 1.869 -12.105 503 HB2 ASN 72 2HB ASN 72 12.839 -0.311 -13.144 504 HB3 ASN 72 1HB ASN 72 12.952 -0.417 -11.377 505 HD21 ASN 72 1HD2 ASN 72 12.109 -2.411 -13.220 506 HD22 ASN 72 2HD2 ASN 72 10.506 -2.848 -12.739 507 H GLY 73 H GLY 73 9.546 1.995 -12.149 508 HA2 GLY 73 2HA GLY 73 8.764 3.688 -13.802 509 HA3 GLY 73 1HA GLY 73 9.770 2.832 -14.976 510 H LYS 74 H LYS 74 8.461 0.559 -13.047 511 HA LYS 74 HA LYS 74 6.527 -0.401 -14.939 512 HB2 LYS 74 2HB LYS 74 7.235 -1.078 -12.103 513 HB3 LYS 74 1HB LYS 74 6.078 -1.983 -13.062 514 HG2 LYS 74 2HG LYS 74 8.829 -1.568 -14.057 515 HG3 LYS 74 1HG LYS 74 8.559 -2.756 -12.795 516 HD2 LYS 74 2HD LYS 74 6.807 -3.779 -14.280 517 HD3 LYS 74 1HD LYS 74 7.269 -2.627 -15.534 518 HE2 LYS 74 2HE LYS 74 9.519 -3.544 -15.560 519 HE3 LYS 74 1HE LYS 74 9.091 -4.662 -14.264 520 HZ1 LYS 74 1HZ LYS 74 8.986 -5.747 -16.429 521 HZ2 LYS 74 2HZ LYS 74 7.857 -4.625 -16.964 522 HZ3 LYS 74 3HZ LYS 74 7.462 -5.671 -15.724 523 H GLN 75 H GLN 75 4.396 -0.819 -14.381 524 HA GLN 75 HA GLN 75 3.175 0.868 -12.305 525 HB2 GLN 75 2HB GLN 75 2.382 1.232 -14.689 526 HB3 GLN 75 1HB GLN 75 1.787 -0.417 -14.671 527 HG2 GLN 75 2HG GLN 75 0.432 0.122 -12.636 528 HG3 GLN 75 1HG GLN 75 0.856 1.810 -12.870 529 HE21 GLN 75 1HE2 GLN 75 -1.005 -0.878 -14.023 530 HE22 GLN 75 2HE2 GLN 75 -2.032 0.002 -15.060 531 H ALA 76 H ALA 76 2.341 -0.343 -10.642 532 HA ALA 76 HA ALA 76 2.584 -3.207 -10.939 533 HB1 ALA 76 1HB ALA 76 2.073 -1.513 -8.471 534 HB2 ALA 76 2HB ALA 76 3.521 -2.465 -8.860 535 HB3 ALA 76 3HB ALA 76 2.010 -3.258 -8.513 536 HA PRO 77 HA PRO 77 -1.740 -3.980 -11.617 537 HB2 PRO 77 2HB PRO 77 -1.532 -6.264 -9.822 538 HB3 PRO 77 1HB PRO 77 -1.872 -6.225 -11.569 539 HG2 PRO 77 2HG PRO 77 0.411 -7.174 -10.629 540 HG3 PRO 77 1HG PRO 77 0.335 -6.242 -12.150 541 HD2 PRO 77 2HD PRO 77 1.232 -5.368 -9.450 542 HD3 PRO 77 1HD PRO 77 1.907 -5.013 -11.062 543 H ASP 78 H ASP 78 -3.705 -4.077 -10.684 544 HA ASP 78 HA ASP 78 -4.219 -2.439 -8.502 545 HB2 ASP 78 2HB ASP 78 -5.796 -2.667 -10.274 546 HB3 ASP 78 1HB ASP 78 -5.929 -4.394 -10.010 547 H TRP 79 H TRP 79 -3.647 -5.871 -8.547 548 HA TRP 79 HA TRP 79 -4.912 -6.327 -6.021 549 HB2 TRP 79 2HB TRP 79 -3.902 -8.590 -6.147 550 HB3 TRP 79 1HB TRP 79 -4.777 -8.146 -7.610 551 HD1 TRP 79 HD TRP 79 -3.485 -8.159 -9.787 552 HE1 TRP 79 1HE TRP 79 -1.113 -8.929 -10.493 553 HE3 TRP 79 3HE TRP 79 -1.347 -8.618 -5.150 554 HZ2 TRP 79 2HZ TRP 79 1.315 -9.598 -9.249 555 HZ3 TRP 79 3HZ TRP 79 0.991 -9.309 -5.013 556 HH2 TRP 79 HH TRP 79 2.298 -9.790 -7.011 557 H LEU 80 H LEU 80 -1.942 -4.958 -6.921 558 HA LEU 80 HA LEU 80 -0.632 -5.785 -4.485 559 HB2 LEU 80 2HB LEU 80 0.536 -5.707 -6.682 560 HB3 LEU 80 1HB LEU 80 0.322 -3.955 -6.697 561 HG LEU 80 HG LEU 80 1.753 -3.778 -4.726 562 HD11 LEU 80 1HD1 LEU 80 2.018 -6.736 -5.104 563 HD12 LEU 80 2HD1 LEU 80 1.269 -5.922 -3.710 564 HD13 LEU 80 3HD1 LEU 80 3.016 -5.767 -4.020 565 HD21 LEU 80 1HD2 LEU 80 2.979 -5.420 -6.943 566 HD22 LEU 80 2HD2 LEU 80 3.879 -4.511 -5.734 567 HD23 LEU 80 3HD2 LEU 80 2.869 -3.658 -6.889 568 H ALA 81 H ALA 81 -1.310 -4.762 -2.768 569 HA ALA 81 HA ALA 81 -2.134 -1.910 -2.887 570 HB1 ALA 81 1HB ALA 81 -2.616 -3.967 -0.747 571 HB2 ALA 81 2HB ALA 81 -3.819 -3.455 -1.945 572 HB3 ALA 81 3HB ALA 81 -3.194 -2.311 -0.748 573 H ALA 82 H ALA 82 -1.670 -0.667 -1.071 574 HA ALA 82 HA ALA 82 0.526 -1.404 0.653 575 HB1 ALA 82 1HB ALA 82 0.825 0.971 -1.188 576 HB2 ALA 82 2HB ALA 82 1.702 -0.554 -1.330 577 HB3 ALA 82 3HB ALA 82 1.955 0.480 0.076 578 H GLU 83 H GLU 83 0.397 -0.429 2.604 579 HA GLU 83 HA GLU 83 -1.148 2.022 2.955 580 HB2 GLU 83 2HB GLU 83 -2.138 1.022 5.065 581 HB3 GLU 83 1HB GLU 83 -2.663 0.169 3.625 582 HG2 GLU 83 2HG GLU 83 -1.299 -1.628 4.097 583 HG3 GLU 83 1HG GLU 83 -0.373 -0.754 5.320 584 HA PRO 84 HA PRO 84 2.624 2.631 5.370 585 HB2 PRO 84 2HB PRO 84 2.010 4.846 6.817 586 HB3 PRO 84 1HB PRO 84 2.251 4.918 5.096 587 HG2 PRO 84 2HG PRO 84 -0.387 4.633 6.454 588 HG3 PRO 84 1HG PRO 84 0.127 5.857 5.266 589 HD2 PRO 84 2HD PRO 84 -1.189 3.786 4.336 590 HD3 PRO 84 1HD PRO 84 0.320 4.360 3.574 591 H TYR 85 H TYR 85 3.135 1.342 6.880 592 HA TYR 85 HA TYR 85 1.490 -0.335 8.129 593 HB2 TYR 85 2HB TYR 85 3.366 -1.457 8.831 594 HB3 TYR 85 1HB TYR 85 3.948 -0.375 7.663 595 HD1 TYR 85 1HD TYR 85 4.535 2.137 8.998 596 HD2 TYR 85 2HD TYR 85 5.018 -1.860 10.344 597 HE1 TYR 85 1HE TYR 85 6.431 2.831 10.406 598 HE2 TYR 85 2HE TYR 85 6.894 -1.178 11.753 599 HH TYR 85 HH TYR 85 8.542 0.589 11.708 Start of MODEL 3 1 H SER 7 1HT SER 7 16.988 -2.578 31.919 2 HA SER 7 HA SER 7 14.741 -3.335 31.887 3 HB2 SER 7 2HB SER 7 15.206 -0.938 33.685 4 HB3 SER 7 1HB SER 7 14.191 -2.342 34.032 5 HG SER 7 HG SER 7 15.927 -3.090 34.903 6 H GLY 8 H GLY 8 13.777 -2.767 29.875 7 HA2 GLY 8 2HA GLY 8 12.268 -0.255 29.968 8 HA3 GLY 8 1HA GLY 8 12.841 -1.013 28.478 9 H ARG 9 H ARG 9 10.175 -0.535 30.182 10 HA ARG 9 HA ARG 9 8.986 -2.949 29.117 11 HB2 ARG 9 2HB ARG 9 7.551 -3.196 31.122 12 HB3 ARG 9 1HB ARG 9 9.254 -3.359 31.487 13 HG2 ARG 9 2HG ARG 9 9.294 -1.111 32.410 14 HG3 ARG 9 1HG ARG 9 7.593 -0.909 32.001 15 HD2 ARG 9 2HD ARG 9 8.786 -2.846 33.977 16 HD3 ARG 9 1HD ARG 9 7.763 -1.456 34.328 17 HE ARG 9 HE ARG 9 6.979 -4.067 33.539 18 HH11 ARG 9 1HH1 ARG 9 5.922 -0.679 33.522 19 HH12 ARG 9 2HH1 ARG 9 4.262 -1.055 33.433 20 HH21 ARG 9 1HH2 ARG 9 4.675 -4.553 33.391 21 HH22 ARG 9 2HH2 ARG 9 3.556 -3.265 33.344 22 H GLU 10 H GLU 10 8.191 -1.940 27.401 23 HA GLU 10 HA GLU 10 6.519 0.368 27.896 24 HB2 GLU 10 2HB GLU 10 6.504 0.700 25.431 25 HB3 GLU 10 1HB GLU 10 8.112 0.739 26.121 26 HG2 GLU 10 2HG GLU 10 8.329 -1.677 25.384 27 HG3 GLU 10 1HG GLU 10 6.836 -1.418 24.484 28 H ASN 11 H ASN 11 4.740 -0.286 28.689 29 HA ASN 11 HA ASN 11 3.332 -2.550 27.560 30 HB2 ASN 11 2HB ASN 11 3.179 -2.149 30.022 31 HB3 ASN 11 1HB ASN 11 2.388 -0.611 29.696 32 HD21 ASN 11 1HD2 ASN 11 0.212 -0.591 29.106 33 HD22 ASN 11 2HD2 ASN 11 -0.771 -2.005 29.124 34 H LEU 12 H LEU 12 2.600 -2.165 25.633 35 HA LEU 12 HA LEU 12 1.513 0.416 24.922 36 HB2 LEU 12 2HB LEU 12 1.693 -2.144 23.336 37 HB3 LEU 12 1HB LEU 12 1.152 -0.603 22.702 38 HG LEU 12 HG LEU 12 3.848 -1.167 23.808 39 HD11 LEU 12 1HD1 LEU 12 3.484 -2.369 21.701 40 HD12 LEU 12 2HD1 LEU 12 4.630 -1.053 21.453 41 HD13 LEU 12 3HD1 LEU 12 2.956 -0.871 20.929 42 HD21 LEU 12 1HD2 LEU 12 3.293 1.161 24.067 43 HD22 LEU 12 2HD2 LEU 12 2.784 1.265 22.384 44 HD23 LEU 12 3HD2 LEU 12 4.482 1.003 22.777 45 H TYR 13 H TYR 13 -0.505 0.040 23.446 46 HA TYR 13 HA TYR 13 -2.415 -1.545 24.961 47 HB2 TYR 13 2HB TYR 13 -2.247 1.274 25.192 48 HB3 TYR 13 1HB TYR 13 -3.728 0.901 24.310 49 HD1 TYR 13 1HD TYR 13 -1.970 0.561 27.502 50 HD2 TYR 13 2HD TYR 13 -5.503 -0.382 25.343 51 HE1 TYR 13 1HE TYR 13 -3.076 -0.078 29.606 52 HE2 TYR 13 2HE TYR 13 -6.625 -1.012 27.434 53 HH TYR 13 HH TYR 13 -5.345 -0.280 30.473 54 H PHE 14 H PHE 14 -4.494 -1.669 23.921 55 HA PHE 14 HA PHE 14 -4.149 -2.448 21.210 56 HB2 PHE 14 2HB PHE 14 -6.633 -2.369 22.945 57 HB3 PHE 14 1HB PHE 14 -6.468 -3.253 21.430 58 HD1 PHE 14 1HD PHE 14 -5.780 -3.257 24.988 59 HD2 PHE 14 2HD PHE 14 -4.960 -5.204 21.303 60 HE1 PHE 14 1HE PHE 14 -4.907 -5.202 26.218 61 HE2 PHE 14 2HE PHE 14 -4.082 -7.156 22.527 62 HZ PHE 14 HZ PHE 14 -4.056 -7.152 24.986 63 H GLN 15 H GLN 15 -4.075 -0.952 19.755 64 HA GLN 15 HA GLN 15 -5.382 1.601 20.144 65 HB2 GLN 15 2HB GLN 15 -3.858 2.397 18.398 66 HB3 GLN 15 1HB GLN 15 -2.981 1.550 19.654 67 HG2 GLN 15 2HG GLN 15 -2.916 -0.452 18.215 68 HG3 GLN 15 1HG GLN 15 -3.694 0.473 16.937 69 HE21 GLN 15 1HE2 GLN 15 -0.784 -0.096 18.685 70 HE22 GLN 15 2HE2 GLN 15 0.268 0.826 17.676 71 H GLY 16 H GLY 16 -6.893 2.375 18.857 72 HA2 GLY 16 2HA GLY 16 -7.831 0.695 16.627 73 HA3 GLY 16 1HA GLY 16 -8.936 1.520 17.728 74 H HIS 17 H HIS 17 -6.715 1.922 15.078 75 HA HIS 17 HA HIS 17 -7.781 4.588 14.556 76 HB2 HIS 17 2HB HIS 17 -4.801 3.964 14.634 77 HB3 HIS 17 1HB HIS 17 -5.518 5.445 14.040 78 HD1 HIS 17 1HD HIS 17 -5.748 7.326 15.758 79 HD2 HIS 17 2HD HIS 17 -5.105 3.599 17.478 80 HE1 HIS 17 1HE HIS 17 -5.352 7.741 18.196 81 H MET 18 H MET 18 -6.987 5.247 12.286 82 HA MET 18 HA MET 18 -7.004 2.872 10.593 83 HB2 MET 18 2HB MET 18 -7.388 5.785 9.887 84 HB3 MET 18 1HB MET 18 -7.270 4.498 8.700 85 HG2 MET 18 2HG MET 18 -9.263 3.453 9.637 86 HG3 MET 18 1HG MET 18 -9.339 4.749 10.831 87 HE1 MET 18 1HE MET 18 -9.941 5.387 6.283 88 HE2 MET 18 2HE MET 18 -9.567 3.824 7.017 89 HE3 MET 18 3HE MET 18 -8.355 5.103 6.995 90 H ALA 19 H ALA 19 -5.747 3.329 8.519 91 HA ALA 19 HA ALA 19 -3.000 3.171 9.182 92 HB1 ALA 19 1HB ALA 19 -2.591 2.979 6.780 93 HB2 ALA 19 2HB ALA 19 -4.242 3.504 6.452 94 HB3 ALA 19 3HB ALA 19 -3.953 1.970 7.268 95 H ALA 20 H ALA 20 -1.898 4.807 9.851 96 HA ALA 20 HA ALA 20 -2.240 7.449 8.601 97 HB1 ALA 20 1HB ALA 20 -1.141 8.298 10.661 98 HB2 ALA 20 2HB ALA 20 -1.162 6.653 11.312 99 HB3 ALA 20 3HB ALA 20 -2.674 7.494 10.964 100 HA PRO 21 HA PRO 21 1.888 7.162 6.815 101 HB2 PRO 21 2HB PRO 21 2.062 9.889 8.070 102 HB3 PRO 21 1HB PRO 21 2.535 9.385 6.435 103 HG2 PRO 21 2HG PRO 21 0.309 10.696 6.723 104 HG3 PRO 21 1HG PRO 21 0.358 9.265 5.667 105 HD2 PRO 21 2HD PRO 21 -0.825 9.536 8.385 106 HD3 PRO 21 1HD PRO 21 -1.370 8.583 6.990 107 H ALA 22 H ALA 22 3.217 5.869 7.919 108 HA ALA 22 HA ALA 22 4.080 6.642 10.620 109 HB1 ALA 22 1HB ALA 22 2.365 4.904 10.697 110 HB2 ALA 22 2HB ALA 22 3.920 4.287 11.276 111 HB3 ALA 22 3HB ALA 22 3.353 3.888 9.653 112 H ARG 23 H ARG 23 5.341 6.914 8.054 113 HA ARG 23 HA ARG 23 7.362 6.841 7.095 114 HB2 ARG 23 2HB ARG 23 8.304 5.935 9.804 115 HB3 ARG 23 1HB ARG 23 9.362 6.451 8.499 116 HG2 ARG 23 2HG ARG 23 8.241 8.664 8.524 117 HG3 ARG 23 1HG ARG 23 7.287 8.118 9.900 118 HD2 ARG 23 2HD ARG 23 9.153 9.427 10.678 119 HD3 ARG 23 1HD ARG 23 9.362 7.750 11.167 120 HE ARG 23 HE ARG 23 10.655 8.711 8.739 121 HH11 ARG 23 1HH1 ARG 23 10.951 7.364 11.977 122 HH12 ARG 23 2HH1 ARG 23 12.635 7.309 12.025 123 HH21 ARG 23 1HH2 ARG 23 13.056 8.700 8.744 124 HH22 ARG 23 2HH2 ARG 23 13.885 8.161 10.116 125 H SER 24 H SER 24 5.752 4.236 7.088 126 HA SER 24 HA SER 24 7.786 2.831 5.597 127 HB2 SER 24 2HB SER 24 6.303 1.502 7.873 128 HB3 SER 24 1HB SER 24 7.314 0.670 6.692 129 HG SER 24 HG SER 24 8.489 2.798 7.969 130 H CYS 25 H CYS 25 6.875 1.638 3.872 131 HA CYS 25 HA CYS 25 3.965 1.743 3.629 132 HB2 CYS 25 2HB CYS 25 6.180 1.614 1.564 133 HB3 CYS 25 1HB CYS 25 4.467 1.384 1.183 134 H VAL 26 H VAL 26 2.974 -0.146 3.512 135 HA VAL 26 HA VAL 26 4.659 -2.551 3.612 136 HB VAL 26 HB VAL 26 1.858 -2.288 4.736 137 HG11 VAL 26 1HG1 VAL 26 2.557 -4.030 6.183 138 HG12 VAL 26 2HG1 VAL 26 4.184 -3.986 5.506 139 HG13 VAL 26 3HG1 VAL 26 2.817 -4.535 4.500 140 HG21 VAL 26 1HG2 VAL 26 2.811 -1.784 6.835 141 HG22 VAL 26 2HG2 VAL 26 3.113 -0.529 5.628 142 HG23 VAL 26 3HG2 VAL 26 4.410 -1.642 6.088 143 H TYR 27 H TYR 27 4.360 -3.875 2.032 144 HA TYR 27 HA TYR 27 2.276 -3.243 0.125 145 HB2 TYR 27 2HB TYR 27 4.777 -4.925 -0.161 146 HB3 TYR 27 1HB TYR 27 3.611 -4.630 -1.461 147 HD1 TYR 27 1HD TYR 27 3.466 -2.506 -2.534 148 HD2 TYR 27 2HD TYR 27 6.114 -3.072 0.720 149 HE1 TYR 27 1HE TYR 27 4.513 -0.286 -2.976 150 HE2 TYR 27 2HE TYR 27 7.147 -0.905 0.281 151 HH TYR 27 HH TYR 27 7.410 0.667 -1.592 152 H TYR 28 H TYR 28 0.727 -4.533 -0.432 153 HA TYR 28 HA TYR 28 0.538 -7.122 0.896 154 HB2 TYR 28 2HB TYR 28 -1.654 -5.063 0.558 155 HB3 TYR 28 1HB TYR 28 -1.841 -6.747 1.007 156 HD1 TYR 28 1HD TYR 28 -0.086 -3.627 2.217 157 HD2 TYR 28 2HD TYR 28 -2.045 -7.274 3.227 158 HE1 TYR 28 1HE TYR 28 -0.003 -3.045 4.563 159 HE2 TYR 28 2HE TYR 28 -1.964 -6.693 5.559 160 HH TYR 28 HH TYR 28 -1.201 -3.499 6.566 161 H ASP 29 H ASP 29 -0.545 -8.611 -0.245 162 HA ASP 29 HA ASP 29 -1.064 -8.085 -3.085 163 HB2 ASP 29 2HB ASP 29 0.398 -9.949 -2.684 164 HB3 ASP 29 1HB ASP 29 -0.686 -10.557 -1.454 165 H GLY 30 H GLY 30 -3.057 -7.293 -3.197 166 HA2 GLY 30 2HA GLY 30 -5.216 -9.049 -2.787 167 HA3 GLY 30 1HA GLY 30 -5.282 -7.852 -1.538 168 H HIS 31 H HIS 31 -6.767 -8.623 -3.941 169 HA HIS 31 HA HIS 31 -6.917 -6.186 -5.521 170 HB2 HIS 31 2HB HIS 31 -8.782 -8.583 -5.450 171 HB3 HIS 31 1HB HIS 31 -8.859 -7.254 -6.605 172 HD1 HIS 31 1HD HIS 31 -7.087 -7.344 -8.592 173 HD2 HIS 31 2HD HIS 31 -6.953 -10.543 -5.931 174 HE1 HIS 31 1HE HIS 31 -5.794 -9.181 -9.739 175 H LEU 32 H LEU 32 -8.217 -7.603 -2.702 176 HA LEU 32 HA LEU 32 -10.005 -5.327 -2.311 177 HB2 LEU 32 2HB LEU 32 -10.304 -8.127 -1.182 178 HB3 LEU 32 1HB LEU 32 -11.286 -6.763 -0.736 179 HG LEU 32 HG LEU 32 -12.567 -8.165 -2.061 180 HD11 LEU 32 1HD1 LEU 32 -11.704 -5.860 -3.769 181 HD12 LEU 32 2HD1 LEU 32 -12.982 -5.877 -2.549 182 HD13 LEU 32 3HD1 LEU 32 -13.156 -6.825 -4.025 183 HD21 LEU 32 1HD2 LEU 32 -10.869 -9.503 -3.088 184 HD22 LEU 32 2HD2 LEU 32 -10.398 -8.146 -4.116 185 HD23 LEU 32 3HD2 LEU 32 -11.991 -8.895 -4.317 186 HA PRO 33 HA PRO 33 -7.309 -4.667 1.183 187 HB2 PRO 33 2HB PRO 33 -9.065 -3.319 2.810 188 HB3 PRO 33 1HB PRO 33 -8.256 -2.565 1.421 189 HG2 PRO 33 2HG PRO 33 -11.021 -3.639 1.603 190 HG3 PRO 33 1HG PRO 33 -10.406 -2.179 0.797 191 HD2 PRO 33 2HD PRO 33 -10.967 -4.449 -0.595 192 HD3 PRO 33 1HD PRO 33 -9.667 -3.313 -1.043 193 H ALA 34 H ALA 34 -10.116 -6.468 1.195 194 HA ALA 34 HA ALA 34 -10.073 -7.388 3.930 195 HB1 ALA 34 1HB ALA 34 -12.173 -7.279 2.694 196 HB2 ALA 34 2HB ALA 34 -11.819 -8.952 3.134 197 HB3 ALA 34 3HB ALA 34 -11.537 -8.393 1.488 198 H THR 35 H THR 35 -9.288 -8.742 0.711 199 HA THR 35 HA THR 35 -8.343 -11.201 1.860 200 HB THR 35 HB THR 35 -8.185 -11.743 -0.607 201 HG1 THR 35 1HG THR 35 -8.363 -10.147 -1.900 202 HG21 THR 35 1HG2 THR 35 -10.170 -12.300 0.740 203 HG22 THR 35 2HG2 THR 35 -10.619 -11.862 -0.910 204 HG23 THR 35 3HG2 THR 35 -10.843 -10.706 0.404 205 H ARG 36 H ARG 36 -6.879 -8.416 1.856 206 HA ARG 36 HA ARG 36 -4.643 -8.832 0.142 207 HB2 ARG 36 2HB ARG 36 -3.747 -6.785 1.126 208 HB3 ARG 36 1HB ARG 36 -5.426 -6.592 0.672 209 HG2 ARG 36 2HG ARG 36 -6.104 -6.878 2.983 210 HG3 ARG 36 1HG ARG 36 -4.417 -7.096 3.453 211 HD2 ARG 36 2HD ARG 36 -3.944 -4.840 2.525 212 HD3 ARG 36 1HD ARG 36 -5.675 -4.624 2.274 213 HE ARG 36 HE ARG 36 -5.472 -5.397 4.831 214 HH11 ARG 36 1HH1 ARG 36 -4.340 -2.631 2.904 215 HH12 ARG 36 2HH1 ARG 36 -3.936 -1.713 4.309 216 HH21 ARG 36 1HH2 ARG 36 -4.889 -3.958 6.722 217 HH22 ARG 36 2HH2 ARG 36 -4.190 -2.430 6.346 218 H VAL 37 H VAL 37 -2.605 -9.408 0.580 219 HA VAL 37 HA VAL 37 -2.197 -11.004 3.022 220 HB VAL 37 HB VAL 37 -0.933 -11.277 0.283 221 HG11 VAL 37 1HG1 VAL 37 -0.064 -13.419 1.042 222 HG12 VAL 37 2HG1 VAL 37 -0.684 -13.088 2.665 223 HG13 VAL 37 3HG1 VAL 37 0.573 -12.061 1.968 224 HG21 VAL 37 1HG2 VAL 37 -2.257 -13.335 0.032 225 HG22 VAL 37 2HG2 VAL 37 -3.274 -11.899 0.183 226 HG23 VAL 37 3HG2 VAL 37 -3.070 -12.980 1.557 227 H LEU 38 H LEU 38 -0.428 -10.529 4.231 228 HA LEU 38 HA LEU 38 0.928 -8.050 3.861 229 HB2 LEU 38 2HB LEU 38 0.265 -9.164 6.033 230 HB3 LEU 38 1HB LEU 38 1.520 -10.333 5.756 231 HG LEU 38 HG LEU 38 2.078 -8.680 7.464 232 HD11 LEU 38 1HD1 LEU 38 4.302 -8.004 6.700 233 HD12 LEU 38 2HD1 LEU 38 3.861 -8.452 5.052 234 HD13 LEU 38 3HD1 LEU 38 3.943 -9.687 6.311 235 HD21 LEU 38 1HD2 LEU 38 0.857 -6.796 6.642 236 HD22 LEU 38 2HD2 LEU 38 1.937 -6.664 5.254 237 HD23 LEU 38 3HD2 LEU 38 2.551 -6.370 6.878 238 H LEU 39 H LEU 39 2.490 -7.847 2.277 239 HA LEU 39 HA LEU 39 4.103 -10.167 1.584 240 HB2 LEU 39 2HB LEU 39 4.016 -7.396 0.403 241 HB3 LEU 39 1HB LEU 39 5.008 -8.707 -0.195 242 HG LEU 39 HG LEU 39 1.988 -8.678 -0.172 243 HD11 LEU 39 1HD1 LEU 39 2.935 -7.088 -1.763 244 HD12 LEU 39 2HD1 LEU 39 2.205 -8.461 -2.598 245 HD13 LEU 39 3HD1 LEU 39 3.957 -8.357 -2.433 246 HD21 LEU 39 1HD2 LEU 39 2.229 -10.688 -1.557 247 HD22 LEU 39 2HD2 LEU 39 2.890 -10.900 0.070 248 HD23 LEU 39 3HD2 LEU 39 3.981 -10.634 -1.293 249 H MET 40 H MET 40 4.837 -6.730 2.326 250 HA MET 40 HA MET 40 6.954 -7.430 4.110 251 HB2 MET 40 2HB MET 40 7.850 -7.950 1.761 252 HB3 MET 40 1HB MET 40 7.771 -6.212 1.492 253 HG2 MET 40 2HG MET 40 9.306 -5.730 3.166 254 HG3 MET 40 1HG MET 40 9.099 -7.365 3.810 255 HE1 MET 40 1HE MET 40 10.515 -5.262 0.775 256 HE2 MET 40 2HE MET 40 9.584 -6.550 0.006 257 HE3 MET 40 3HE MET 40 11.341 -6.513 -0.159 258 H TYR 41 H TYR 41 7.833 -5.676 5.163 259 HA TYR 41 HA TYR 41 6.461 -3.108 4.914 260 HB2 TYR 41 2HB TYR 41 8.432 -4.168 6.972 261 HB3 TYR 41 1HB TYR 41 7.687 -2.585 7.024 262 HD1 TYR 41 1HD TYR 41 5.629 -2.279 8.081 263 HD2 TYR 41 2HD TYR 41 6.908 -6.235 7.178 264 HE1 TYR 41 1HE TYR 41 3.769 -3.199 9.420 265 HE2 TYR 41 2HE TYR 41 5.048 -7.136 8.509 266 HH TYR 41 HH TYR 41 2.454 -5.231 9.482 267 H VAL 42 H VAL 42 7.447 -1.447 3.854 268 HA VAL 42 HA VAL 42 10.347 -1.573 3.434 269 HB VAL 42 HB VAL 42 8.298 -0.319 1.646 270 HG11 VAL 42 1HG1 VAL 42 10.167 -0.055 0.057 271 HG12 VAL 42 2HG1 VAL 42 11.279 -0.675 1.276 272 HG13 VAL 42 3HG1 VAL 42 10.437 0.853 1.546 273 HG21 VAL 42 1HG2 VAL 42 9.916 -2.835 1.338 274 HG22 VAL 42 2HG2 VAL 42 8.868 -2.123 0.094 275 HG23 VAL 42 3HG2 VAL 42 8.172 -2.723 1.604 276 H ARG 43 H ARG 43 11.413 0.121 4.377 277 HA ARG 43 HA ARG 43 10.097 2.194 5.677 278 HB2 ARG 43 2HB ARG 43 12.873 1.578 4.926 279 HB3 ARG 43 1HB ARG 43 12.547 3.196 5.489 280 HG2 ARG 43 2HG ARG 43 12.021 0.618 6.989 281 HG3 ARG 43 1HG ARG 43 13.299 1.837 7.205 282 HD2 ARG 43 2HD ARG 43 10.390 2.483 7.549 283 HD3 ARG 43 1HD ARG 43 11.456 2.014 8.854 284 HE ARG 43 HE ARG 43 11.466 4.509 7.390 285 HH11 ARG 43 1HH1 ARG 43 13.066 2.524 9.853 286 HH12 ARG 43 2HH1 ARG 43 14.190 3.710 10.266 287 HH21 ARG 43 1HH2 ARG 43 13.003 6.111 7.963 288 HH22 ARG 43 2HH2 ARG 43 14.179 5.802 9.171 289 H ILE 44 H ILE 44 9.874 4.180 5.287 290 HA ILE 44 HA ILE 44 9.548 5.057 2.526 291 HB ILE 44 HB ILE 44 9.702 6.967 4.857 292 HG12 ILE 44 2HG1 ILE 44 8.013 5.307 5.171 293 HG13 ILE 44 1HG1 ILE 44 7.324 6.928 5.036 294 HG21 ILE 44 1HG2 ILE 44 9.951 8.081 2.708 295 HG22 ILE 44 2HG2 ILE 44 8.386 8.490 3.417 296 HG23 ILE 44 3HG2 ILE 44 8.481 7.311 2.116 297 HD11 ILE 44 1HD1 ILE 44 7.265 4.679 3.014 298 HD12 ILE 44 2HD1 ILE 44 6.590 6.303 2.748 299 HD13 ILE 44 3HD1 ILE 44 5.941 5.268 4.003 300 H GLY 45 H GLY 45 10.858 6.020 1.261 301 HA2 GLY 45 2HA GLY 45 12.669 7.436 0.604 302 HA3 GLY 45 1HA GLY 45 13.355 7.252 2.219 303 H ASN 46 H ASN 46 12.246 4.354 1.273 304 HA ASN 46 HA ASN 46 14.887 3.443 0.353 305 HB2 ASN 46 2HB ASN 46 14.405 2.927 2.664 306 HB3 ASN 46 1HB ASN 46 12.898 2.180 2.136 307 HD21 ASN 46 1HD2 ASN 46 13.561 0.300 3.240 308 HD22 ASN 46 2HD2 ASN 46 14.760 -0.763 2.610 309 H THR 47 H THR 47 14.811 1.526 -0.779 310 HA THR 47 HA THR 47 12.404 1.109 -2.451 311 HB THR 47 HB THR 47 14.027 0.235 -4.102 312 HG1 THR 47 1HG THR 47 16.068 0.201 -3.616 313 HG21 THR 47 1HG2 THR 47 13.052 2.427 -4.483 314 HG22 THR 47 2HG2 THR 47 14.742 2.475 -4.976 315 HG23 THR 47 3HG2 THR 47 14.254 3.182 -3.435 316 H ALA 48 H ALA 48 12.134 -1.036 -3.122 317 HA ALA 48 HA ALA 48 13.658 -3.110 -1.818 318 HB1 ALA 48 1HB ALA 48 10.830 -2.804 -0.859 319 HB2 ALA 48 2HB ALA 48 12.275 -2.372 0.057 320 HB3 ALA 48 3HB ALA 48 11.981 -4.054 -0.388 321 H THR 49 H THR 49 13.598 -4.937 -2.743 322 HA THR 49 HA THR 49 12.110 -5.593 -5.068 323 HB THR 49 HB THR 49 13.662 -7.486 -3.308 324 HG1 THR 49 1HG THR 49 14.661 -5.387 -4.959 325 HG21 THR 49 1HG2 THR 49 14.442 -8.337 -5.471 326 HG22 THR 49 2HG2 THR 49 13.532 -7.072 -6.299 327 HG23 THR 49 3HG2 THR 49 12.678 -8.329 -5.402 328 H ILE 50 H ILE 50 9.938 -6.026 -4.762 329 HA ILE 50 HA ILE 50 9.077 -7.750 -2.503 330 HB ILE 50 HB ILE 50 7.237 -6.652 -4.616 331 HG12 ILE 50 2HG1 ILE 50 8.484 -4.679 -3.838 332 HG13 ILE 50 1HG1 ILE 50 6.796 -4.635 -3.322 333 HG21 ILE 50 1HG2 ILE 50 5.594 -6.702 -2.786 334 HG22 ILE 50 2HG2 ILE 50 6.854 -7.259 -1.695 335 HG23 ILE 50 3HG2 ILE 50 6.359 -8.275 -3.047 336 HD11 ILE 50 1HD1 ILE 50 7.500 -5.390 -1.113 337 HD12 ILE 50 2HD1 ILE 50 8.276 -3.860 -1.589 338 HD13 ILE 50 3HD1 ILE 50 9.176 -5.386 -1.678 339 H THR 51 H THR 51 9.233 -9.918 -3.060 340 HA THR 51 HA THR 51 8.669 -10.559 -5.856 341 HB THR 51 HB THR 51 9.560 -12.361 -3.583 342 HG1 THR 51 1HG THR 51 11.137 -11.900 -5.819 343 HG21 THR 51 1HG2 THR 51 9.983 -14.055 -5.314 344 HG22 THR 51 2HG2 THR 51 9.334 -12.971 -6.540 345 HG23 THR 51 3HG2 THR 51 8.277 -13.605 -5.280 346 H ALA 52 H ALA 52 6.696 -11.058 -6.454 347 HA ALA 52 HA ALA 52 4.938 -12.524 -4.665 348 HB1 ALA 52 1HB ALA 52 3.044 -11.001 -5.156 349 HB2 ALA 52 2HB ALA 52 4.158 -9.920 -6.000 350 HB3 ALA 52 3HB ALA 52 4.337 -10.192 -4.269 351 H ARG 53 H ARG 53 4.097 -14.140 -5.770 352 HA ARG 53 HA ARG 53 3.531 -15.565 -7.436 353 HB2 ARG 53 2HB ARG 53 2.924 -12.968 -8.850 354 HB3 ARG 53 1HB ARG 53 2.587 -14.549 -9.574 355 HG2 ARG 53 2HG ARG 53 1.016 -15.050 -7.842 356 HG3 ARG 53 1HG ARG 53 1.473 -13.580 -6.956 357 HD2 ARG 53 2HD ARG 53 0.634 -12.209 -8.773 358 HD3 ARG 53 1HD ARG 53 0.237 -13.645 -9.709 359 HE ARG 53 HE ARG 53 -1.682 -13.841 -8.534 360 HH11 ARG 53 1HH1 ARG 53 0.463 -11.771 -6.562 361 HH12 ARG 53 2HH1 ARG 53 -0.851 -11.299 -5.551 362 HH21 ARG 53 1HH2 ARG 53 -3.340 -13.127 -7.044 363 HH22 ARG 53 2HH2 ARG 53 -2.904 -12.036 -5.792 364 H GLY 54 H GLY 54 6.168 -14.613 -7.087 365 HA2 GLY 54 2HA GLY 54 8.202 -15.279 -7.962 366 HA3 GLY 54 1HA GLY 54 7.369 -15.780 -9.439 367 H HIS 55 H HIS 55 6.463 -12.640 -8.742 368 HA HIS 55 HA HIS 55 8.448 -11.611 -10.653 369 HB2 HIS 55 2HB HIS 55 5.853 -10.333 -9.749 370 HB3 HIS 55 1HB HIS 55 6.917 -9.767 -11.035 371 HD1 HIS 55 1HD HIS 55 6.840 -11.236 -13.293 372 HD2 HIS 55 2HD HIS 55 3.942 -12.088 -10.442 373 HE1 HIS 55 1HE HIS 55 5.065 -12.542 -14.477 374 H GLU 56 H GLU 56 10.005 -10.302 -9.816 375 HA GLU 56 HA GLU 56 9.728 -9.173 -7.199 376 HB2 GLU 56 2HB GLU 56 11.867 -8.972 -9.308 377 HB3 GLU 56 1HB GLU 56 11.924 -8.060 -7.815 378 HG2 GLU 56 2HG GLU 56 13.315 -9.969 -7.521 379 HG3 GLU 56 1HG GLU 56 11.818 -10.178 -6.611 380 H PHE 57 H PHE 57 8.788 -7.272 -6.838 381 HA PHE 57 HA PHE 57 8.646 -5.316 -9.004 382 HB2 PHE 57 2HB PHE 57 7.056 -5.624 -6.433 383 HB3 PHE 57 1HB PHE 57 6.841 -4.329 -7.612 384 HD1 PHE 57 1HD PHE 57 5.783 -4.785 -9.758 385 HD2 PHE 57 2HD PHE 57 6.178 -7.808 -6.791 386 HE1 PHE 57 1HE PHE 57 4.098 -6.147 -10.926 387 HE2 PHE 57 2HE PHE 57 4.508 -9.175 -7.953 388 HZ PHE 57 HZ PHE 57 3.457 -8.347 -10.016 389 H GLU 58 H GLU 58 10.485 -4.106 -8.738 390 HA GLU 58 HA GLU 58 11.447 -3.650 -6.041 391 HB2 GLU 58 2HB GLU 58 12.965 -3.999 -8.075 392 HB3 GLU 58 1HB GLU 58 12.437 -2.403 -8.623 393 HG2 GLU 58 2HG GLU 58 14.491 -1.961 -7.550 394 HG3 GLU 58 1HG GLU 58 13.262 -1.614 -6.330 395 H VAL 59 H VAL 59 10.369 -2.230 -4.972 396 HA VAL 59 HA VAL 59 8.874 -0.083 -6.356 397 HB VAL 59 HB VAL 59 7.652 0.187 -4.253 398 HG11 VAL 59 1HG1 VAL 59 6.661 -1.387 -5.792 399 HG12 VAL 59 2HG1 VAL 59 6.500 -2.015 -4.152 400 HG13 VAL 59 3HG1 VAL 59 7.734 -2.667 -5.230 401 HG21 VAL 59 1HG2 VAL 59 8.008 -1.358 -2.445 402 HG22 VAL 59 2HG2 VAL 59 9.455 -0.374 -2.854 403 HG23 VAL 59 3HG2 VAL 59 9.359 -2.070 -3.375 404 H GLU 60 H GLU 60 8.688 1.911 -5.281 405 HA GLU 60 HA GLU 60 11.116 2.732 -3.905 406 HB2 GLU 60 2HB GLU 60 11.235 3.430 -6.213 407 HB3 GLU 60 1HB GLU 60 9.584 4.056 -6.166 408 HG2 GLU 60 2HG GLU 60 10.325 5.818 -4.653 409 HG3 GLU 60 1HG GLU 60 11.962 5.161 -4.677 410 H ALA 61 H ALA 61 10.227 2.805 -1.931 411 HA ALA 61 HA ALA 61 7.527 3.842 -1.612 412 HB1 ALA 61 1HB ALA 61 8.220 1.987 -0.144 413 HB2 ALA 61 2HB ALA 61 7.867 3.429 0.809 414 HB3 ALA 61 3HB ALA 61 9.538 2.974 0.488 415 H LYS 62 H LYS 62 7.819 5.811 -2.412 416 HA LYS 62 HA LYS 62 9.744 7.518 -1.115 417 HB2 LYS 62 2HB LYS 62 9.261 9.138 -2.909 418 HB3 LYS 62 1HB LYS 62 9.923 7.603 -3.441 419 HG2 LYS 62 2HG LYS 62 7.529 6.942 -3.931 420 HG3 LYS 62 1HG LYS 62 7.127 8.658 -3.742 421 HD2 LYS 62 2HD LYS 62 9.104 7.471 -5.702 422 HD3 LYS 62 1HD LYS 62 7.508 8.095 -6.089 423 HE2 LYS 62 2HE LYS 62 8.202 10.340 -5.495 424 HE3 LYS 62 1HE LYS 62 9.766 9.737 -4.939 425 HZ1 LYS 62 1HZ LYS 62 8.774 9.599 -7.743 426 HZ2 LYS 62 2HZ LYS 62 10.260 9.041 -7.176 427 HZ3 LYS 62 3HZ LYS 62 9.938 10.684 -7.155 428 H ASP 63 H ASP 63 6.222 7.200 -0.910 429 HA ASP 63 HA ASP 63 6.350 9.589 0.699 430 HB2 ASP 63 2HB ASP 63 5.397 10.205 -1.509 431 HB3 ASP 63 1HB ASP 63 4.142 8.989 -1.281 432 H GLN 64 H GLN 64 5.145 9.398 2.556 433 HA GLN 64 HA GLN 64 4.361 6.747 3.091 434 HB2 GLN 64 2HB GLN 64 3.783 7.605 5.408 435 HB3 GLN 64 1HB GLN 64 5.446 7.436 4.918 436 HG2 GLN 64 2HG GLN 64 5.528 9.879 4.529 437 HG3 GLN 64 1HG GLN 64 3.866 10.016 5.099 438 HE21 GLN 64 1HE2 GLN 64 6.319 11.181 6.271 439 HE22 GLN 64 2HE2 GLN 64 6.365 10.572 7.877 440 H ASN 65 H ASN 65 2.545 8.542 1.369 441 HA ASN 65 HA ASN 65 0.151 7.687 2.784 442 HB2 ASN 65 2HB ASN 65 0.513 9.204 0.228 443 HB3 ASN 65 1HB ASN 65 -1.020 8.387 0.564 444 HD21 ASN 65 1HD2 ASN 65 -2.275 9.113 2.319 445 HD22 ASN 65 2HD2 ASN 65 -2.024 10.658 3.049 446 H CYS 66 H CYS 66 2.460 6.550 0.834 447 HA CYS 66 HA CYS 66 2.975 4.666 -0.010 448 HB2 CYS 66 2HB CYS 66 1.037 3.614 1.989 449 HB3 CYS 66 1HB CYS 66 2.213 2.631 1.100 450 H LYS 67 H LYS 67 1.592 5.731 -1.952 451 HA LYS 67 HA LYS 67 0.010 3.647 -3.067 452 HB2 LYS 67 2HB LYS 67 1.186 6.145 -3.869 453 HB3 LYS 67 1HB LYS 67 0.959 5.002 -5.235 454 HG2 LYS 67 2HG LYS 67 -0.769 6.587 -5.036 455 HG3 LYS 67 1HG LYS 67 -1.415 5.035 -4.514 456 HD2 LYS 67 2HD LYS 67 -1.165 5.552 -2.261 457 HD3 LYS 67 1HD LYS 67 -0.259 7.010 -2.582 458 HE2 LYS 67 2HE LYS 67 -2.579 7.598 -2.012 459 HE3 LYS 67 1HE LYS 67 -1.976 8.001 -3.640 460 HZ1 LYS 67 1HZ LYS 67 -3.285 6.238 -4.584 461 HZ2 LYS 67 2HZ LYS 67 -4.333 7.103 -3.619 462 HZ3 LYS 67 3HZ LYS 67 -3.720 5.642 -3.080 463 H VAL 68 H VAL 68 0.726 2.364 -4.722 464 HA VAL 68 HA VAL 68 3.465 1.556 -4.230 465 HB VAL 68 HB VAL 68 1.991 -0.345 -4.221 466 HG11 VAL 68 1HG1 VAL 68 0.227 0.429 -5.677 467 HG12 VAL 68 2HG1 VAL 68 0.824 -1.141 -6.220 468 HG13 VAL 68 3HG1 VAL 68 1.301 0.329 -7.072 469 HG21 VAL 68 1HG2 VAL 68 3.153 -1.808 -5.770 470 HG22 VAL 68 2HG2 VAL 68 4.289 -0.676 -5.036 471 HG23 VAL 68 3HG2 VAL 68 3.725 -0.417 -6.680 472 H ILE 69 H ILE 69 4.996 2.418 -5.164 473 HA ILE 69 HA ILE 69 4.758 3.195 -7.977 474 HB ILE 69 HB ILE 69 6.286 4.587 -5.741 475 HG12 ILE 69 2HG1 ILE 69 4.044 5.587 -7.491 476 HG13 ILE 69 1HG1 ILE 69 3.820 4.906 -5.886 477 HG21 ILE 69 1HG2 ILE 69 6.158 5.271 -8.686 478 HG22 ILE 69 2HG2 ILE 69 7.563 4.625 -7.841 479 HG23 ILE 69 3HG2 ILE 69 6.950 6.232 -7.437 480 HD11 ILE 69 1HD1 ILE 69 5.170 6.756 -4.961 481 HD12 ILE 69 2HD1 ILE 69 3.763 7.349 -5.841 482 HD13 ILE 69 3HD1 ILE 69 5.363 7.409 -6.587 483 H LEU 70 H LEU 70 6.245 2.314 -9.228 484 HA LEU 70 HA LEU 70 8.126 0.538 -7.925 485 HB2 LEU 70 2HB LEU 70 7.088 0.647 -10.724 486 HB3 LEU 70 1HB LEU 70 8.462 -0.339 -10.279 487 HG LEU 70 HG LEU 70 6.541 -1.701 -10.401 488 HD11 LEU 70 1HD1 LEU 70 7.384 -1.280 -7.600 489 HD12 LEU 70 2HD1 LEU 70 7.973 -2.472 -8.774 490 HD13 LEU 70 3HD1 LEU 70 6.318 -2.563 -8.141 491 HD21 LEU 70 1HD2 LEU 70 4.704 -0.221 -10.144 492 HD22 LEU 70 2HD2 LEU 70 5.242 0.217 -8.518 493 HD23 LEU 70 3HD2 LEU 70 4.667 -1.423 -8.834 494 H THR 71 H THR 71 10.171 0.381 -8.567 495 HA THR 71 HA THR 71 11.563 2.845 -8.987 496 HB THR 71 HB THR 71 13.581 1.428 -9.378 497 HG1 THR 71 1HG THR 71 13.331 -0.737 -9.586 498 HG21 THR 71 1HG2 THR 71 11.794 0.615 -7.113 499 HG22 THR 71 2HG2 THR 71 12.815 2.055 -7.144 500 HG23 THR 71 3HG2 THR 71 13.555 0.433 -7.146 501 H ASN 72 H ASN 72 10.344 0.466 -11.105 502 HA ASN 72 HA ASN 72 11.788 1.553 -13.410 503 HB2 ASN 72 2HB ASN 72 9.856 -0.764 -13.227 504 HB3 ASN 72 1HB ASN 72 10.682 -0.272 -14.719 505 HD21 ASN 72 1HD2 ASN 72 10.855 -1.977 -11.705 506 HD22 ASN 72 2HD2 ASN 72 12.436 -2.583 -11.919 507 H GLY 73 H GLY 73 9.149 2.232 -11.698 508 HA2 GLY 73 2HA GLY 73 7.482 3.823 -11.985 509 HA3 GLY 73 1HA GLY 73 8.149 4.136 -13.597 510 H LYS 74 H LYS 74 7.207 1.054 -12.470 511 HA LYS 74 HA LYS 74 5.737 0.574 -14.785 512 HB2 LYS 74 2HB LYS 74 6.155 -1.085 -12.310 513 HB3 LYS 74 1HB LYS 74 5.421 -1.669 -13.799 514 HG2 LYS 74 2HG LYS 74 8.079 -0.410 -13.758 515 HG3 LYS 74 1HG LYS 74 7.927 -2.139 -13.438 516 HD2 LYS 74 2HD LYS 74 6.966 -0.653 -15.902 517 HD3 LYS 74 1HD LYS 74 8.468 -1.568 -15.791 518 HE2 LYS 74 2HE LYS 74 7.219 -3.618 -15.441 519 HE3 LYS 74 1HE LYS 74 5.702 -2.733 -15.416 520 HZ1 LYS 74 1HZ LYS 74 6.146 -3.832 -17.533 521 HZ2 LYS 74 2HZ LYS 74 7.501 -2.849 -17.787 522 HZ3 LYS 74 3HZ LYS 74 5.959 -2.174 -17.684 523 H GLN 75 H GLN 75 3.654 -0.076 -14.919 524 HA GLN 75 HA GLN 75 1.692 1.049 -13.143 525 HB2 GLN 75 2HB GLN 75 1.265 0.963 -15.560 526 HB3 GLN 75 1HB GLN 75 1.524 -0.770 -15.569 527 HG2 GLN 75 2HG GLN 75 -0.497 -1.045 -14.179 528 HG3 GLN 75 1HG GLN 75 -0.770 0.695 -14.280 529 HE21 GLN 75 1HE2 GLN 75 -1.424 1.581 -16.214 530 HE22 GLN 75 2HE2 GLN 75 -2.054 0.660 -17.514 531 H ALA 76 H ALA 76 1.590 -0.010 -11.212 532 HA ALA 76 HA ALA 76 2.239 -2.796 -11.129 533 HB1 ALA 76 1HB ALA 76 2.905 -1.293 -9.271 534 HB2 ALA 76 2HB ALA 76 2.062 -2.744 -8.812 535 HB3 ALA 76 3HB ALA 76 1.211 -1.209 -8.757 536 HA PRO 77 HA PRO 77 -1.763 -4.674 -11.700 537 HB2 PRO 77 2HB PRO 77 -0.807 -6.137 -9.293 538 HB3 PRO 77 1HB PRO 77 -1.522 -6.783 -10.789 539 HG2 PRO 77 2HG PRO 77 1.045 -6.989 -10.413 540 HG3 PRO 77 1HG PRO 77 0.416 -6.497 -12.008 541 HD2 PRO 77 2HD PRO 77 1.752 -4.858 -9.932 542 HD3 PRO 77 1HD PRO 77 1.778 -4.712 -11.708 543 H ASP 78 H ASP 78 -3.754 -4.691 -10.762 544 HA ASP 78 HA ASP 78 -4.306 -2.738 -8.817 545 HB2 ASP 78 2HB ASP 78 -6.642 -3.388 -9.027 546 HB3 ASP 78 1HB ASP 78 -5.890 -3.281 -10.609 547 H TRP 79 H TRP 79 -3.386 -5.971 -8.447 548 HA TRP 79 HA TRP 79 -4.601 -6.206 -5.835 549 HB2 TRP 79 2HB TRP 79 -3.449 -8.430 -5.769 550 HB3 TRP 79 1HB TRP 79 -4.589 -8.228 -7.099 551 HD1 TRP 79 HD TRP 79 -3.700 -8.493 -9.434 552 HE1 TRP 79 1HE TRP 79 -1.471 -9.273 -10.472 553 HE3 TRP 79 3HE TRP 79 -0.763 -8.231 -5.260 554 HZ2 TRP 79 2HZ TRP 79 1.191 -9.692 -9.609 555 HZ3 TRP 79 3HZ TRP 79 1.603 -8.821 -5.457 556 HH2 TRP 79 HH TRP 79 2.558 -9.539 -7.581 557 H LEU 80 H LEU 80 -1.861 -4.707 -7.054 558 HA LEU 80 HA LEU 80 -0.264 -5.508 -4.804 559 HB2 LEU 80 2HB LEU 80 0.649 -5.274 -7.118 560 HB3 LEU 80 1HB LEU 80 0.410 -3.525 -6.985 561 HG LEU 80 HG LEU 80 1.974 -3.465 -5.135 562 HD11 LEU 80 1HD1 LEU 80 2.209 -6.387 -5.717 563 HD12 LEU 80 2HD1 LEU 80 1.613 -5.641 -4.212 564 HD13 LEU 80 3HD1 LEU 80 3.325 -5.489 -4.680 565 HD21 LEU 80 1HD2 LEU 80 4.050 -4.166 -6.358 566 HD22 LEU 80 2HD2 LEU 80 2.998 -3.111 -7.258 567 HD23 LEU 80 3HD2 LEU 80 3.012 -4.848 -7.615 568 H ALA 81 H ALA 81 -0.821 -4.607 -2.989 569 HA ALA 81 HA ALA 81 -1.754 -1.796 -2.970 570 HB1 ALA 81 1HB ALA 81 -2.164 -3.924 -0.900 571 HB2 ALA 81 2HB ALA 81 -3.388 -3.426 -2.070 572 HB3 ALA 81 3HB ALA 81 -2.792 -2.291 -0.846 573 H ALA 82 H ALA 82 -1.222 -0.563 -1.192 574 HA ALA 82 HA ALA 82 0.922 -1.352 0.554 575 HB1 ALA 82 1HB ALA 82 1.223 1.035 -1.284 576 HB2 ALA 82 2HB ALA 82 2.144 -0.465 -1.392 577 HB3 ALA 82 3HB ALA 82 2.328 0.585 0.014 578 H GLU 83 H GLU 83 0.749 -0.318 2.491 579 HA GLU 83 HA GLU 83 -0.832 2.123 2.726 580 HB2 GLU 83 2HB GLU 83 -2.006 1.202 4.713 581 HB3 GLU 83 1HB GLU 83 -2.340 0.205 3.311 582 HG2 GLU 83 2HG GLU 83 -0.970 -1.481 4.044 583 HG3 GLU 83 1HG GLU 83 -0.164 -0.470 5.248 584 HA PRO 84 HA PRO 84 2.672 2.664 5.487 585 HB2 PRO 84 2HB PRO 84 1.979 4.810 6.928 586 HB3 PRO 84 1HB PRO 84 2.222 4.946 5.218 587 HG2 PRO 84 2HG PRO 84 -0.418 4.551 6.551 588 HG3 PRO 84 1HG PRO 84 0.069 5.815 5.393 589 HD2 PRO 84 2HD PRO 84 -1.174 3.645 4.450 590 HD3 PRO 84 1HD PRO 84 0.253 4.392 3.658 591 H TYR 85 H TYR 85 3.133 1.423 7.032 592 HA TYR 85 HA TYR 85 1.485 -0.410 8.095 593 HB2 TYR 85 2HB TYR 85 3.381 -1.413 8.885 594 HB3 TYR 85 1HB TYR 85 4.013 -0.238 7.836 595 HD1 TYR 85 1HD TYR 85 4.725 2.079 8.953 596 HD2 TYR 85 2HD TYR 85 4.332 -1.629 10.981 597 HE1 TYR 85 1HE TYR 85 6.336 2.832 10.647 598 HE2 TYR 85 2HE TYR 85 5.921 -0.885 12.678 599 HH TYR 85 HH TYR 85 6.941 2.368 12.889 Start of MODEL 4 1 H SER 7 1HT SER 7 -9.650 -15.942 -12.582 2 HA SER 7 HA SER 7 -7.912 -13.572 -12.290 3 HB2 SER 7 2HB SER 7 -8.691 -13.996 -14.646 4 HB3 SER 7 1HB SER 7 -10.352 -13.921 -14.068 5 HG SER 7 HG SER 7 -10.231 -11.810 -13.941 6 H GLY 8 H GLY 8 -8.316 -13.240 -10.161 7 HA2 GLY 8 2HA GLY 8 -11.149 -13.003 -9.395 8 HA3 GLY 8 1HA GLY 8 -9.806 -13.254 -8.271 9 H ARG 9 H ARG 9 -11.479 -10.921 -10.279 10 HA ARG 9 HA ARG 9 -10.228 -8.841 -8.758 11 HB2 ARG 9 2HB ARG 9 -8.913 -9.147 -10.810 12 HB3 ARG 9 1HB ARG 9 -10.364 -8.887 -11.779 13 HG2 ARG 9 2HG ARG 9 -10.602 -6.677 -10.848 14 HG3 ARG 9 1HG ARG 9 -9.209 -7.020 -9.821 15 HD2 ARG 9 2HD ARG 9 -7.795 -7.199 -11.836 16 HD3 ARG 9 1HD ARG 9 -9.198 -6.828 -12.842 17 HE ARG 9 HE ARG 9 -8.455 -4.926 -10.778 18 HH11 ARG 9 1HH1 ARG 9 -8.456 -5.713 -14.229 19 HH12 ARG 9 2HH1 ARG 9 -8.174 -4.122 -14.739 20 HH21 ARG 9 1HH2 ARG 9 -8.038 -2.764 -11.469 21 HH22 ARG 9 2HH2 ARG 9 -7.906 -2.376 -13.124 22 H GLU 10 H GLU 10 -12.016 -8.249 -7.785 23 HA GLU 10 HA GLU 10 -14.315 -7.400 -9.416 24 HB2 GLU 10 2HB GLU 10 -14.261 -8.212 -6.490 25 HB3 GLU 10 1HB GLU 10 -15.640 -7.503 -7.292 26 HG2 GLU 10 2HG GLU 10 -16.050 -9.818 -7.075 27 HG3 GLU 10 1HG GLU 10 -15.706 -9.518 -8.771 28 H ASN 11 H ASN 11 -14.621 -5.235 -9.406 29 HA ASN 11 HA ASN 11 -12.793 -3.703 -7.804 30 HB2 ASN 11 2HB ASN 11 -13.015 -3.135 -10.181 31 HB3 ASN 11 1HB ASN 11 -14.712 -2.770 -9.952 32 HD21 ASN 11 1HD2 ASN 11 -12.355 -1.211 -10.892 33 HD22 ASN 11 2HD2 ASN 11 -12.345 0.239 -9.956 34 H LEU 12 H LEU 12 -13.346 -3.451 -5.840 35 HA LEU 12 HA LEU 12 -15.993 -2.420 -5.147 36 HB2 LEU 12 2HB LEU 12 -14.457 -4.569 -3.688 37 HB3 LEU 12 1HB LEU 12 -15.796 -3.697 -2.984 38 HG LEU 12 HG LEU 12 -15.939 -5.421 -5.416 39 HD11 LEU 12 1HD1 LEU 12 -15.520 -6.727 -3.373 40 HD12 LEU 12 2HD1 LEU 12 -17.167 -6.994 -3.946 41 HD13 LEU 12 3HD1 LEU 12 -16.871 -5.920 -2.578 42 HD21 LEU 12 1HD2 LEU 12 -18.393 -5.244 -5.101 43 HD22 LEU 12 2HD2 LEU 12 -17.624 -3.710 -5.482 44 HD23 LEU 12 3HD2 LEU 12 -18.104 -4.065 -3.819 45 H TYR 13 H TYR 13 -15.716 -1.853 -2.669 46 HA TYR 13 HA TYR 13 -14.017 0.422 -2.795 47 HB2 TYR 13 2HB TYR 13 -15.692 -0.658 -0.552 48 HB3 TYR 13 1HB TYR 13 -14.631 0.721 -0.338 49 HD1 TYR 13 1HD TYR 13 -17.818 -0.418 -1.641 50 HD2 TYR 13 2HD TYR 13 -15.012 2.774 -1.630 51 HE1 TYR 13 1HE TYR 13 -19.555 1.112 -2.471 52 HE2 TYR 13 2HE TYR 13 -16.729 4.304 -2.459 53 HH TYR 13 HH TYR 13 -20.012 3.517 -2.482 54 H PHE 14 H PHE 14 -11.944 0.531 -2.447 55 HA PHE 14 HA PHE 14 -10.653 -1.365 -0.692 56 HB2 PHE 14 2HB PHE 14 -9.623 1.031 -2.216 57 HB3 PHE 14 1HB PHE 14 -8.658 0.301 -0.947 58 HD1 PHE 14 1HD PHE 14 -7.821 -1.993 -1.213 59 HD2 PHE 14 2HD PHE 14 -9.806 0.044 -4.376 60 HE1 PHE 14 1HE PHE 14 -6.877 -3.592 -2.823 61 HE2 PHE 14 2HE PHE 14 -8.866 -1.559 -5.989 62 HZ PHE 14 HZ PHE 14 -7.403 -3.373 -5.219 63 H GLN 15 H GLN 15 -11.691 -1.122 1.103 64 HA GLN 15 HA GLN 15 -12.227 1.376 2.342 65 HB2 GLN 15 2HB GLN 15 -12.371 -1.443 3.413 66 HB3 GLN 15 1HB GLN 15 -12.980 -0.020 4.250 67 HG2 GLN 15 2HG GLN 15 -14.590 0.398 2.554 68 HG3 GLN 15 1HG GLN 15 -13.878 -0.829 1.511 69 HE21 GLN 15 1HE2 GLN 15 -14.375 -3.005 1.890 70 HE22 GLN 15 2HE2 GLN 15 -15.586 -3.491 2.998 71 H GLY 16 H GLY 16 -10.431 2.415 2.524 72 HA2 GLY 16 2HA GLY 16 -8.089 1.379 3.765 73 HA3 GLY 16 1HA GLY 16 -8.391 3.063 3.346 74 H HIS 17 H HIS 17 -8.482 0.700 5.783 75 HA HIS 17 HA HIS 17 -9.851 2.314 7.713 76 HB2 HIS 17 2HB HIS 17 -7.827 0.082 8.187 77 HB3 HIS 17 1HB HIS 17 -8.868 0.786 9.410 78 HD1 HIS 17 1HD HIS 17 -11.246 -0.143 9.593 79 HD2 HIS 17 2HD HIS 17 -9.153 -1.570 6.301 80 HE1 HIS 17 1HE HIS 17 -12.636 -2.005 8.636 81 H MET 18 H MET 18 -8.998 3.946 8.888 82 HA MET 18 HA MET 18 -6.772 5.162 7.821 83 HB2 MET 18 2HB MET 18 -8.310 5.819 10.287 84 HB3 MET 18 1HB MET 18 -6.863 6.722 9.840 85 HG2 MET 18 2HG MET 18 -7.820 7.256 7.699 86 HG3 MET 18 1HG MET 18 -9.247 6.310 8.070 87 HE1 MET 18 1HE MET 18 -8.070 10.284 10.132 88 HE2 MET 18 2HE MET 18 -7.145 9.519 8.840 89 HE3 MET 18 3HE MET 18 -7.221 8.771 10.437 90 H ALA 19 H ALA 19 -4.897 5.249 8.049 91 HA ALA 19 HA ALA 19 -3.492 4.010 10.295 92 HB1 ALA 19 1HB ALA 19 -2.909 3.613 7.344 93 HB2 ALA 19 2HB ALA 19 -3.491 2.376 8.459 94 HB3 ALA 19 3HB ALA 19 -1.876 3.057 8.662 95 H ALA 20 H ALA 20 -1.564 5.149 10.732 96 HA ALA 20 HA ALA 20 -1.648 7.849 9.687 97 HB1 ALA 20 1HB ALA 20 -1.614 7.523 12.093 98 HB2 ALA 20 2HB ALA 20 -0.152 8.350 11.558 99 HB3 ALA 20 3HB ALA 20 -0.094 6.638 11.972 100 HA PRO 21 HA PRO 21 2.061 7.336 7.166 101 HB2 PRO 21 2HB PRO 21 2.725 10.059 8.192 102 HB3 PRO 21 1HB PRO 21 2.631 9.502 6.507 103 HG2 PRO 21 2HG PRO 21 0.740 11.035 7.448 104 HG3 PRO 21 1HG PRO 21 0.338 9.630 6.427 105 HD2 PRO 21 2HD PRO 21 0.105 9.913 9.390 106 HD3 PRO 21 1HD PRO 21 -1.011 9.163 8.226 107 H ALA 22 H ALA 22 3.072 5.863 8.364 108 HA ALA 22 HA ALA 22 4.429 6.659 10.826 109 HB1 ALA 22 1HB ALA 22 2.700 4.942 10.955 110 HB2 ALA 22 2HB ALA 22 4.283 4.287 11.423 111 HB3 ALA 22 3HB ALA 22 3.613 3.956 9.825 112 H ARG 23 H ARG 23 5.417 6.876 8.103 113 HA ARG 23 HA ARG 23 7.307 6.741 6.919 114 HB2 ARG 23 2HB ARG 23 8.548 6.126 9.585 115 HB3 ARG 23 1HB ARG 23 9.472 6.448 8.121 116 HG2 ARG 23 2HG ARG 23 8.328 8.639 7.941 117 HG3 ARG 23 1HG ARG 23 7.548 8.303 9.487 118 HD2 ARG 23 2HD ARG 23 9.699 8.204 10.577 119 HD3 ARG 23 1HD ARG 23 10.524 8.454 9.039 120 HE ARG 23 HE ARG 23 8.691 10.434 10.214 121 HH11 ARG 23 1HH1 ARG 23 11.739 9.679 8.570 122 HH12 ARG 23 2HH1 ARG 23 12.305 11.274 8.596 123 HH21 ARG 23 1HH2 ARG 23 9.455 12.597 10.256 124 HH22 ARG 23 2HH2 ARG 23 10.975 13.001 9.600 125 H SER 24 H SER 24 5.722 4.246 7.170 126 HA SER 24 HA SER 24 7.657 2.675 5.711 127 HB2 SER 24 2HB SER 24 6.129 1.580 8.069 128 HB3 SER 24 1HB SER 24 6.948 0.586 6.864 129 HG SER 24 HG SER 24 8.283 2.615 8.327 130 H CYS 25 H CYS 25 6.744 1.437 4.112 131 HA CYS 25 HA CYS 25 3.849 1.641 3.738 132 HB2 CYS 25 2HB CYS 25 6.131 1.347 1.782 133 HB3 CYS 25 1HB CYS 25 4.463 0.951 1.345 134 H VAL 26 H VAL 26 2.770 -0.171 3.711 135 HA VAL 26 HA VAL 26 4.239 -2.671 4.153 136 HB VAL 26 HB VAL 26 1.465 -1.875 5.162 137 HG11 VAL 26 1HG1 VAL 26 3.418 -3.892 6.131 138 HG12 VAL 26 2HG1 VAL 26 1.937 -4.262 5.208 139 HG13 VAL 26 3HG1 VAL 26 1.845 -3.519 6.822 140 HG21 VAL 26 1HG2 VAL 26 2.509 -1.363 7.223 141 HG22 VAL 26 2HG2 VAL 26 2.996 -0.295 5.904 142 HG23 VAL 26 3HG2 VAL 26 4.105 -1.554 6.469 143 H TYR 27 H TYR 27 4.041 -3.962 2.453 144 HA TYR 27 HA TYR 27 2.024 -3.320 0.496 145 HB2 TYR 27 2HB TYR 27 4.530 -4.986 0.315 146 HB3 TYR 27 1HB TYR 27 3.354 -4.875 -0.996 147 HD1 TYR 27 1HD TYR 27 5.333 -2.662 1.261 148 HD2 TYR 27 2HD TYR 27 3.628 -3.192 -2.592 149 HE1 TYR 27 1HE TYR 27 6.325 -0.556 0.557 150 HE2 TYR 27 2HE TYR 27 4.643 -1.054 -3.312 151 HH TYR 27 HH TYR 27 5.428 1.034 -2.294 152 H TYR 28 H TYR 28 0.392 -4.441 -0.056 153 HA TYR 28 HA TYR 28 0.009 -7.068 1.129 154 HB2 TYR 28 2HB TYR 28 -2.044 -4.859 0.882 155 HB3 TYR 28 1HB TYR 28 -2.312 -6.537 1.305 156 HD1 TYR 28 1HD TYR 28 -1.120 -3.266 2.623 157 HD2 TYR 28 2HD TYR 28 -1.707 -7.406 3.455 158 HE1 TYR 28 1HE TYR 28 -0.883 -2.838 5.008 159 HE2 TYR 28 2HE TYR 28 -1.466 -6.970 5.846 160 HH TYR 28 HH TYR 28 -0.411 -5.257 7.302 161 H ASP 29 H ASP 29 -0.763 -8.502 -0.188 162 HA ASP 29 HA ASP 29 -1.445 -7.909 -2.987 163 HB2 ASP 29 2HB ASP 29 0.016 -9.807 -2.523 164 HB3 ASP 29 1HB ASP 29 -1.130 -10.371 -1.310 165 H GLY 30 H GLY 30 -3.509 -7.056 -3.008 166 HA2 GLY 30 2HA GLY 30 -5.599 -8.862 -2.547 167 HA3 GLY 30 1HA GLY 30 -5.619 -7.744 -1.220 168 H HIS 31 H HIS 31 -7.311 -8.350 -3.533 169 HA HIS 31 HA HIS 31 -7.409 -5.668 -4.720 170 HB2 HIS 31 2HB HIS 31 -7.818 -7.979 -5.985 171 HB3 HIS 31 1HB HIS 31 -9.469 -7.735 -5.391 172 HD1 HIS 31 1HD HIS 31 -10.887 -5.857 -6.618 173 HD2 HIS 31 2HD HIS 31 -6.903 -6.083 -7.779 174 HE1 HIS 31 1HE HIS 31 -10.679 -4.428 -8.647 175 H LEU 32 H LEU 32 -8.458 -7.297 -2.073 176 HA LEU 32 HA LEU 32 -10.654 -5.433 -1.583 177 HB2 LEU 32 2HB LEU 32 -10.348 -8.250 -0.517 178 HB3 LEU 32 1HB LEU 32 -11.561 -7.115 -0.001 179 HG LEU 32 HG LEU 32 -12.631 -8.659 -1.324 180 HD11 LEU 32 1HD1 LEU 32 -12.145 -6.276 -3.079 181 HD12 LEU 32 2HD1 LEU 32 -13.382 -6.453 -1.834 182 HD13 LEU 32 3HD1 LEU 32 -13.441 -7.452 -3.287 183 HD21 LEU 32 1HD2 LEU 32 -11.960 -9.359 -3.537 184 HD22 LEU 32 2HD2 LEU 32 -10.726 -9.711 -2.312 185 HD23 LEU 32 3HD2 LEU 32 -10.513 -8.346 -3.412 186 HA PRO 33 HA PRO 33 -8.102 -4.342 1.906 187 HB2 PRO 33 2HB PRO 33 -9.968 -3.374 3.598 188 HB3 PRO 33 1HB PRO 33 -9.556 -2.514 2.098 189 HG2 PRO 33 2HG PRO 33 -11.849 -4.344 2.617 190 HG3 PRO 33 1HG PRO 33 -11.851 -2.758 1.821 191 HD2 PRO 33 2HD PRO 33 -11.859 -5.032 0.386 192 HD3 PRO 33 1HD PRO 33 -10.981 -3.579 -0.146 193 H ALA 34 H ALA 34 -10.375 -6.798 1.961 194 HA ALA 34 HA ALA 34 -9.922 -7.563 4.747 195 HB1 ALA 34 1HB ALA 34 -11.695 -9.186 4.426 196 HB2 ALA 34 2HB ALA 34 -11.739 -8.810 2.705 197 HB3 ALA 34 3HB ALA 34 -12.222 -7.589 3.880 198 H THR 35 H THR 35 -9.621 -9.063 1.469 199 HA THR 35 HA THR 35 -8.393 -11.410 2.613 200 HB THR 35 HB THR 35 -8.524 -12.143 0.213 201 HG1 THR 35 1HG THR 35 -9.204 -10.805 -1.230 202 HG21 THR 35 1HG2 THR 35 -11.079 -11.129 1.475 203 HG22 THR 35 2HG2 THR 35 -10.305 -12.677 1.817 204 HG23 THR 35 3HG2 THR 35 -10.974 -12.359 0.216 205 H ARG 36 H ARG 36 -7.086 -8.691 2.356 206 HA ARG 36 HA ARG 36 -5.012 -8.928 0.427 207 HB2 ARG 36 2HB ARG 36 -4.134 -6.923 1.493 208 HB3 ARG 36 1HB ARG 36 -5.862 -6.787 1.245 209 HG2 ARG 36 2HG ARG 36 -6.238 -7.392 3.599 210 HG3 ARG 36 1HG ARG 36 -4.489 -7.431 3.836 211 HD2 ARG 36 2HD ARG 36 -4.398 -5.087 3.031 212 HD3 ARG 36 1HD ARG 36 -6.163 -5.076 3.020 213 HE ARG 36 HE ARG 36 -5.504 -5.923 5.491 214 HH11 ARG 36 1HH1 ARG 36 -4.963 -3.069 3.516 215 HH12 ARG 36 2HH1 ARG 36 -4.551 -2.034 4.796 216 HH21 ARG 36 1HH2 ARG 36 -4.898 -4.484 7.334 217 HH22 ARG 36 2HH2 ARG 36 -4.491 -2.866 7.021 218 H VAL 37 H VAL 37 -2.794 -9.268 0.841 219 HA VAL 37 HA VAL 37 -2.256 -11.038 3.159 220 HB VAL 37 HB VAL 37 -1.095 -11.251 0.367 221 HG11 VAL 37 1HG1 VAL 37 0.414 -12.075 2.049 222 HG12 VAL 37 2HG1 VAL 37 -0.205 -13.389 1.051 223 HG13 VAL 37 3HG1 VAL 37 -0.844 -13.143 2.676 224 HG21 VAL 37 1HG2 VAL 37 -3.198 -12.983 1.640 225 HG22 VAL 37 2HG2 VAL 37 -2.424 -13.280 0.082 226 HG23 VAL 37 3HG2 VAL 37 -3.447 -11.859 0.304 227 H LEU 38 H LEU 38 -0.528 -10.387 4.352 228 HA LEU 38 HA LEU 38 0.925 -8.050 3.692 229 HB2 LEU 38 2HB LEU 38 0.397 -8.775 6.000 230 HB3 LEU 38 1HB LEU 38 1.414 -10.173 5.791 231 HG LEU 38 HG LEU 38 2.333 -8.289 7.221 232 HD11 LEU 38 1HD1 LEU 38 4.606 -8.392 6.359 233 HD12 LEU 38 2HD1 LEU 38 4.005 -9.091 4.853 234 HD13 LEU 38 3HD1 LEU 38 3.840 -9.983 6.368 235 HD21 LEU 38 1HD2 LEU 38 1.566 -6.449 5.851 236 HD22 LEU 38 2HD2 LEU 38 2.651 -6.949 4.551 237 HD23 LEU 38 3HD2 LEU 38 3.310 -6.392 6.088 238 H LEU 39 H LEU 39 2.428 -7.973 2.174 239 HA LEU 39 HA LEU 39 3.861 -10.392 1.417 240 HB2 LEU 39 2HB LEU 39 3.939 -7.614 0.247 241 HB3 LEU 39 1HB LEU 39 4.733 -9.021 -0.427 242 HG LEU 39 HG LEU 39 1.753 -8.620 -0.179 243 HD11 LEU 39 1HD1 LEU 39 2.773 -7.224 -1.889 244 HD12 LEU 39 2HD1 LEU 39 1.815 -8.512 -2.619 245 HD13 LEU 39 3HD1 LEU 39 3.574 -8.635 -2.579 246 HD21 LEU 39 1HD2 LEU 39 2.355 -10.956 0.078 247 HD22 LEU 39 2HD2 LEU 39 3.353 -10.872 -1.371 248 HD23 LEU 39 3HD2 LEU 39 1.601 -10.690 -1.497 249 H MET 40 H MET 40 4.797 -7.004 2.134 250 HA MET 40 HA MET 40 6.957 -7.795 3.835 251 HB2 MET 40 2HB MET 40 7.614 -8.112 1.272 252 HB3 MET 40 1HB MET 40 7.810 -6.356 1.367 253 HG2 MET 40 2HG MET 40 9.341 -6.611 3.216 254 HG3 MET 40 1HG MET 40 9.018 -8.351 3.151 255 HE1 MET 40 1HE MET 40 11.449 -5.960 0.020 256 HE2 MET 40 2HE MET 40 10.873 -5.297 1.548 257 HE3 MET 40 3HE MET 40 9.721 -5.714 0.279 258 H TYR 41 H TYR 41 7.921 -6.016 4.799 259 HA TYR 41 HA TYR 41 6.434 -3.504 4.666 260 HB2 TYR 41 2HB TYR 41 8.530 -4.519 6.605 261 HB3 TYR 41 1HB TYR 41 7.758 -2.947 6.712 262 HD1 TYR 41 1HD TYR 41 5.596 -2.719 7.686 263 HD2 TYR 41 2HD TYR 41 7.202 -6.590 6.993 264 HE1 TYR 41 1HE TYR 41 3.811 -3.705 9.059 265 HE2 TYR 41 2HE TYR 41 5.427 -7.583 8.356 266 HH TYR 41 HH TYR 41 3.922 -6.872 10.174 267 H VAL 42 H VAL 42 7.349 -1.630 3.956 268 HA VAL 42 HA VAL 42 10.184 -1.599 3.199 269 HB VAL 42 HB VAL 42 7.895 -0.278 1.739 270 HG11 VAL 42 1HG1 VAL 42 9.583 0.261 0.018 271 HG12 VAL 42 2HG1 VAL 42 10.835 -0.435 1.048 272 HG13 VAL 42 3HG1 VAL 42 9.969 1.002 1.572 273 HG21 VAL 42 1HG2 VAL 42 7.848 -2.678 1.408 274 HG22 VAL 42 2HG2 VAL 42 9.556 -2.672 0.974 275 HG23 VAL 42 3HG2 VAL 42 8.376 -1.872 -0.070 276 H ARG 43 H ARG 43 11.179 0.369 3.657 277 HA ARG 43 HA ARG 43 9.807 2.042 5.634 278 HB2 ARG 43 2HB ARG 43 12.315 1.010 5.563 279 HB3 ARG 43 1HB ARG 43 12.617 2.556 4.785 280 HG2 ARG 43 2HG ARG 43 13.097 2.765 7.115 281 HG3 ARG 43 1HG ARG 43 11.612 3.668 6.785 282 HD2 ARG 43 2HD ARG 43 11.448 2.305 8.848 283 HD3 ARG 43 1HD ARG 43 10.266 1.824 7.637 284 HE ARG 43 HE ARG 43 12.805 0.389 7.824 285 HH11 ARG 43 1HH1 ARG 43 9.275 0.324 8.282 286 HH12 ARG 43 2HH1 ARG 43 9.201 -1.365 8.412 287 HH21 ARG 43 1HH2 ARG 43 12.667 -1.926 7.951 288 HH22 ARG 43 2HH2 ARG 43 11.163 -2.686 8.196 289 H ILE 44 H ILE 44 9.221 4.108 5.128 290 HA ILE 44 HA ILE 44 9.038 4.967 2.415 291 HB ILE 44 HB ILE 44 9.110 6.907 4.725 292 HG12 ILE 44 2HG1 ILE 44 7.492 5.087 4.969 293 HG13 ILE 44 1HG1 ILE 44 6.750 6.690 5.011 294 HG21 ILE 44 1HG2 ILE 44 7.828 7.114 1.988 295 HG22 ILE 44 2HG2 ILE 44 9.309 7.918 2.475 296 HG23 ILE 44 3HG2 ILE 44 7.779 8.372 3.223 297 HD11 ILE 44 1HD1 ILE 44 6.061 6.214 2.632 298 HD12 ILE 44 2HD1 ILE 44 5.343 5.209 3.883 299 HD13 ILE 44 3HD1 ILE 44 6.639 4.558 2.894 300 H GLY 45 H GLY 45 10.517 5.553 1.151 301 HA2 GLY 45 2HA GLY 45 12.086 7.322 0.519 302 HA3 GLY 45 1HA GLY 45 12.827 7.123 2.106 303 H ASN 46 H ASN 46 12.200 4.169 1.637 304 HA ASN 46 HA ASN 46 14.812 3.611 0.400 305 HB2 ASN 46 2HB ASN 46 14.430 3.018 2.721 306 HB3 ASN 46 1HB ASN 46 13.095 1.990 2.155 307 HD21 ASN 46 1HD2 ASN 46 14.144 0.059 3.006 308 HD22 ASN 46 2HD2 ASN 46 15.588 -0.567 2.313 309 H THR 47 H THR 47 14.946 1.674 -0.720 310 HA THR 47 HA THR 47 12.632 1.239 -2.469 311 HB THR 47 HB THR 47 14.284 0.054 -3.887 312 HG1 THR 47 1HG THR 47 16.457 1.438 -3.046 313 HG21 THR 47 1HG2 THR 47 14.737 3.013 -3.435 314 HG22 THR 47 2HG2 THR 47 13.524 2.283 -4.488 315 HG23 THR 47 3HG2 THR 47 15.238 2.129 -4.877 316 H ALA 48 H ALA 48 12.114 -0.828 -3.033 317 HA ALA 48 HA ALA 48 13.324 -3.026 -1.542 318 HB1 ALA 48 1HB ALA 48 11.238 -3.865 -0.653 319 HB2 ALA 48 2HB ALA 48 10.382 -2.473 -1.322 320 HB3 ALA 48 3HB ALA 48 11.582 -2.247 -0.045 321 H THR 49 H THR 49 13.032 -5.022 -2.418 322 HA THR 49 HA THR 49 11.812 -5.120 -5.110 323 HB THR 49 HB THR 49 13.780 -7.055 -3.877 324 HG1 THR 49 1HG THR 49 14.279 -4.555 -4.253 325 HG21 THR 49 1HG2 THR 49 13.163 -6.294 -6.741 326 HG22 THR 49 2HG2 THR 49 12.619 -7.760 -5.924 327 HG23 THR 49 3HG2 THR 49 14.338 -7.505 -6.228 328 H ILE 50 H ILE 50 9.764 -5.926 -4.879 329 HA ILE 50 HA ILE 50 9.268 -7.947 -2.781 330 HB ILE 50 HB ILE 50 7.263 -6.922 -4.781 331 HG12 ILE 50 2HG1 ILE 50 8.155 -4.901 -3.765 332 HG13 ILE 50 1HG1 ILE 50 6.514 -5.204 -3.175 333 HG21 ILE 50 1HG2 ILE 50 6.591 -8.847 -3.510 334 HG22 ILE 50 2HG2 ILE 50 5.626 -7.452 -3.028 335 HG23 ILE 50 3HG2 ILE 50 6.942 -8.013 -1.997 336 HD11 ILE 50 1HD1 ILE 50 7.956 -4.435 -1.411 337 HD12 ILE 50 2HD1 ILE 50 9.085 -5.755 -1.771 338 HD13 ILE 50 3HD1 ILE 50 7.475 -6.125 -1.130 339 H THR 51 H THR 51 9.918 -9.951 -3.555 340 HA THR 51 HA THR 51 9.227 -10.551 -6.320 341 HB THR 51 HB THR 51 10.401 -12.407 -4.255 342 HG1 THR 51 1HG THR 51 11.535 -10.316 -5.713 343 HG21 THR 51 1HG2 THR 51 11.318 -13.575 -6.217 344 HG22 THR 51 2HG2 THR 51 10.596 -12.365 -7.276 345 HG23 THR 51 3HG2 THR 51 9.562 -13.443 -6.341 346 H ALA 52 H ALA 52 7.306 -11.392 -6.773 347 HA ALA 52 HA ALA 52 6.003 -13.239 -4.957 348 HB1 ALA 52 1HB ALA 52 5.051 -11.072 -4.296 349 HB2 ALA 52 2HB ALA 52 3.841 -12.036 -5.144 350 HB3 ALA 52 3HB ALA 52 4.664 -10.719 -5.979 351 H ARG 53 H ARG 53 5.490 -14.886 -6.169 352 HA ARG 53 HA ARG 53 4.839 -16.229 -7.838 353 HB2 ARG 53 2HB ARG 53 3.721 -13.667 -8.988 354 HB3 ARG 53 1HB ARG 53 3.416 -15.267 -9.683 355 HG2 ARG 53 2HG ARG 53 2.196 -15.933 -7.766 356 HG3 ARG 53 1HG ARG 53 2.697 -14.488 -6.869 357 HD2 ARG 53 2HD ARG 53 1.445 -13.079 -8.366 358 HD3 ARG 53 1HD ARG 53 1.038 -14.453 -9.386 359 HE ARG 53 HE ARG 53 -0.472 -15.189 -7.814 360 HH11 ARG 53 1HH1 ARG 53 1.154 -12.308 -6.529 361 HH12 ARG 53 2HH1 ARG 53 -0.149 -11.917 -5.480 362 HH21 ARG 53 1HH2 ARG 53 -2.191 -14.603 -6.386 363 HH22 ARG 53 2HH2 ARG 53 -2.059 -13.206 -5.402 364 H GLY 54 H GLY 54 7.333 -14.832 -7.788 365 HA2 GLY 54 2HA GLY 54 9.294 -15.043 -9.045 366 HA3 GLY 54 1HA GLY 54 8.306 -15.599 -10.404 367 H HIS 55 H HIS 55 7.062 -12.735 -9.155 368 HA HIS 55 HA HIS 55 8.449 -11.164 -11.226 369 HB2 HIS 55 2HB HIS 55 5.852 -10.493 -9.808 370 HB3 HIS 55 1HB HIS 55 6.559 -9.658 -11.193 371 HD1 HIS 55 1HD HIS 55 6.545 -11.274 -13.491 372 HD2 HIS 55 2HD HIS 55 3.981 -12.250 -10.382 373 HE1 HIS 55 1HE HIS 55 4.739 -12.710 -14.501 374 H GLU 56 H GLU 56 9.742 -9.525 -10.505 375 HA GLU 56 HA GLU 56 9.672 -8.976 -7.661 376 HB2 GLU 56 2HB GLU 56 11.668 -8.124 -9.761 377 HB3 GLU 56 1HB GLU 56 11.731 -7.671 -8.077 378 HG2 GLU 56 2HG GLU 56 13.270 -9.410 -8.283 379 HG3 GLU 56 1HG GLU 56 11.807 -10.117 -7.580 380 H PHE 57 H PHE 57 8.463 -7.269 -7.056 381 HA PHE 57 HA PHE 57 8.022 -5.132 -8.979 382 HB2 PHE 57 2HB PHE 57 6.751 -5.665 -6.266 383 HB3 PHE 57 1HB PHE 57 6.282 -4.399 -7.399 384 HD1 PHE 57 1HD PHE 57 5.767 -7.772 -6.360 385 HD2 PHE 57 2HD PHE 57 5.365 -5.117 -9.661 386 HE1 PHE 57 1HE PHE 57 4.134 -9.301 -7.388 387 HE2 PHE 57 2HE PHE 57 3.736 -6.639 -10.694 388 HZ PHE 57 HZ PHE 57 3.117 -8.736 -9.546 389 H GLU 58 H GLU 58 9.865 -4.003 -8.852 390 HA GLU 58 HA GLU 58 11.008 -3.612 -6.194 391 HB2 GLU 58 2HB GLU 58 12.438 -4.259 -8.258 392 HB3 GLU 58 1HB GLU 58 12.172 -2.593 -8.777 393 HG2 GLU 58 2HG GLU 58 13.228 -1.780 -6.758 394 HG3 GLU 58 1HG GLU 58 13.489 -3.465 -6.294 395 H VAL 59 H VAL 59 10.269 -2.076 -5.136 396 HA VAL 59 HA VAL 59 9.012 0.268 -6.428 397 HB VAL 59 HB VAL 59 7.717 0.491 -4.367 398 HG11 VAL 59 1HG1 VAL 59 7.524 -2.221 -5.635 399 HG12 VAL 59 2HG1 VAL 59 6.532 -0.767 -5.949 400 HG13 VAL 59 3HG1 VAL 59 6.397 -1.630 -4.426 401 HG21 VAL 59 1HG2 VAL 59 9.301 -0.404 -2.825 402 HG22 VAL 59 2HG2 VAL 59 9.078 -2.027 -3.506 403 HG23 VAL 59 3HG2 VAL 59 7.737 -1.221 -2.659 404 H GLU 60 H GLU 60 9.070 2.135 -5.194 405 HA GLU 60 HA GLU 60 11.184 2.323 -3.196 406 HB2 GLU 60 2HB GLU 60 11.948 3.450 -5.352 407 HB3 GLU 60 1HB GLU 60 10.528 4.498 -5.210 408 HG2 GLU 60 2HG GLU 60 11.367 5.291 -3.043 409 HG3 GLU 60 1HG GLU 60 12.802 4.289 -3.247 410 H ALA 61 H ALA 61 10.226 2.929 -1.410 411 HA ALA 61 HA ALA 61 7.470 3.791 -1.510 412 HB1 ALA 61 1HB ALA 61 7.635 3.964 0.958 413 HB2 ALA 61 2HB ALA 61 9.370 3.637 0.844 414 HB3 ALA 61 3HB ALA 61 8.206 2.406 0.364 415 H LYS 62 H LYS 62 7.498 5.572 -2.651 416 HA LYS 62 HA LYS 62 9.285 7.744 -2.478 417 HB2 LYS 62 2HB LYS 62 6.455 7.835 -3.514 418 HB3 LYS 62 1HB LYS 62 7.784 8.883 -3.961 419 HG2 LYS 62 2HG LYS 62 7.585 5.944 -4.585 420 HG3 LYS 62 1HG LYS 62 7.170 7.266 -5.680 421 HD2 LYS 62 2HD LYS 62 9.905 6.736 -4.502 422 HD3 LYS 62 1HD LYS 62 9.398 6.260 -6.115 423 HE2 LYS 62 2HE LYS 62 9.079 8.616 -6.708 424 HE3 LYS 62 1HE LYS 62 9.578 9.094 -5.084 425 HZ1 LYS 62 1HZ LYS 62 11.726 8.007 -5.502 426 HZ2 LYS 62 2HZ LYS 62 11.435 9.279 -6.590 427 HZ3 LYS 62 3HZ LYS 62 11.250 7.693 -7.098 428 H ASP 63 H ASP 63 5.919 7.385 -1.415 429 HA ASP 63 HA ASP 63 6.285 9.566 0.462 430 HB2 ASP 63 2HB ASP 63 5.329 10.629 -1.499 431 HB3 ASP 63 1HB ASP 63 4.095 9.380 -1.623 432 H GLN 64 H GLN 64 4.432 9.629 2.001 433 HA GLN 64 HA GLN 64 4.143 6.947 2.952 434 HB2 GLN 64 2HB GLN 64 3.198 9.458 4.305 435 HB3 GLN 64 1HB GLN 64 3.499 7.884 5.047 436 HG2 GLN 64 2HG GLN 64 5.893 8.224 4.054 437 HG3 GLN 64 1HG GLN 64 5.435 9.917 4.069 438 HE21 GLN 64 1HE2 GLN 64 6.977 10.431 5.606 439 HE22 GLN 64 2HE2 GLN 64 6.777 9.988 7.271 440 H ASN 65 H ASN 65 2.301 8.617 0.843 441 HA ASN 65 HA ASN 65 -0.248 7.662 1.709 442 HB2 ASN 65 2HB ASN 65 0.772 8.626 -0.957 443 HB3 ASN 65 1HB ASN 65 -0.819 7.868 -0.820 444 HD21 ASN 65 1HD2 ASN 65 -1.906 9.714 -1.408 445 HD22 ASN 65 2HD2 ASN 65 -2.004 11.103 -0.389 446 H CYS 66 H CYS 66 2.501 6.354 0.237 447 HA CYS 66 HA CYS 66 3.164 4.352 -0.321 448 HB2 CYS 66 2HB CYS 66 0.864 3.563 1.426 449 HB3 CYS 66 1HB CYS 66 2.003 2.392 0.727 450 H LYS 67 H LYS 67 1.505 5.650 -2.219 451 HA LYS 67 HA LYS 67 0.033 3.805 -3.658 452 HB2 LYS 67 2HB LYS 67 0.489 6.374 -3.975 453 HB3 LYS 67 1HB LYS 67 1.904 5.834 -4.850 454 HG2 LYS 67 2HG LYS 67 0.287 6.258 -6.487 455 HG3 LYS 67 1HG LYS 67 0.328 4.509 -6.315 456 HD2 LYS 67 2HD LYS 67 -1.451 5.832 -4.493 457 HD3 LYS 67 1HD LYS 67 -1.967 6.034 -6.187 458 HE2 LYS 67 2HE LYS 67 -1.863 3.517 -6.354 459 HE3 LYS 67 1HE LYS 67 -1.509 3.465 -4.631 460 HZ1 LYS 67 1HZ LYS 67 -3.663 4.540 -4.220 461 HZ2 LYS 67 2HZ LYS 67 -3.803 3.064 -4.999 462 HZ3 LYS 67 3HZ LYS 67 -4.009 4.485 -5.881 463 H VAL 68 H VAL 68 0.790 2.144 -4.890 464 HA VAL 68 HA VAL 68 3.521 1.417 -4.557 465 HB VAL 68 HB VAL 68 1.986 -0.420 -4.528 466 HG11 VAL 68 1HG1 VAL 68 0.702 -1.152 -6.479 467 HG12 VAL 68 2HG1 VAL 68 1.226 0.286 -7.356 468 HG13 VAL 68 3HG1 VAL 68 0.207 0.449 -5.927 469 HG21 VAL 68 1HG2 VAL 68 4.225 -0.886 -5.405 470 HG22 VAL 68 2HG2 VAL 68 3.655 -0.561 -7.038 471 HG23 VAL 68 3HG2 VAL 68 3.014 -1.930 -6.141 472 H ILE 69 H ILE 69 4.954 2.564 -5.456 473 HA ILE 69 HA ILE 69 4.732 3.089 -8.326 474 HB ILE 69 HB ILE 69 6.112 4.729 -6.171 475 HG12 ILE 69 2HG1 ILE 69 3.852 5.436 -8.039 476 HG13 ILE 69 1HG1 ILE 69 3.642 4.890 -6.383 477 HG21 ILE 69 1HG2 ILE 69 7.470 4.718 -8.207 478 HG22 ILE 69 2HG2 ILE 69 6.713 6.297 -7.983 479 HG23 ILE 69 3HG2 ILE 69 6.055 5.158 -9.162 480 HD11 ILE 69 1HD1 ILE 69 3.427 7.317 -6.585 481 HD12 ILE 69 2HD1 ILE 69 5.044 7.414 -7.280 482 HD13 ILE 69 3HD1 ILE 69 4.831 6.896 -5.605 483 H LEU 70 H LEU 70 6.045 1.960 -9.420 484 HA LEU 70 HA LEU 70 8.092 0.477 -8.094 485 HB2 LEU 70 2HB LEU 70 7.308 0.530 -10.980 486 HB3 LEU 70 1HB LEU 70 8.579 -0.472 -10.319 487 HG LEU 70 HG LEU 70 6.726 -1.829 -10.614 488 HD11 LEU 70 1HD1 LEU 70 7.875 -2.373 -8.669 489 HD12 LEU 70 2HD1 LEU 70 6.139 -2.607 -8.406 490 HD13 LEU 70 3HD1 LEU 70 6.952 -1.190 -7.749 491 HD21 LEU 70 1HD2 LEU 70 4.522 -1.404 -9.716 492 HD22 LEU 70 2HD2 LEU 70 5.021 -0.091 -10.789 493 HD23 LEU 70 3HD2 LEU 70 5.089 0.116 -9.036 494 H THR 71 H THR 71 10.041 0.567 -8.436 495 HA THR 71 HA THR 71 10.979 3.263 -9.087 496 HB THR 71 HB THR 71 11.762 2.230 -6.958 497 HG1 THR 71 1HG THR 71 14.151 2.599 -8.313 498 HG21 THR 71 1HG2 THR 71 13.446 0.508 -8.756 499 HG22 THR 71 2HG2 THR 71 12.125 -0.048 -7.727 500 HG23 THR 71 3HG2 THR 71 13.598 0.608 -7.002 501 H ASN 72 H ASN 72 10.507 0.564 -10.686 502 HA ASN 72 HA ASN 72 12.743 0.810 -12.543 503 HB2 ASN 72 2HB ASN 72 10.357 -1.050 -12.695 504 HB3 ASN 72 1HB ASN 72 11.712 -1.042 -13.823 505 HD21 ASN 72 1HD2 ASN 72 10.442 -2.270 -10.898 506 HD22 ASN 72 2HD2 ASN 72 11.842 -3.138 -10.424 507 H GLY 73 H GLY 73 9.697 2.215 -12.087 508 HA2 GLY 73 2HA GLY 73 8.829 3.933 -13.412 509 HA3 GLY 73 1HA GLY 73 9.809 3.347 -14.768 510 H LYS 74 H LYS 74 7.882 1.330 -12.760 511 HA LYS 74 HA LYS 74 6.189 0.572 -15.035 512 HB2 LYS 74 2HB LYS 74 6.870 -0.911 -12.500 513 HB3 LYS 74 1HB LYS 74 6.009 -1.543 -13.888 514 HG2 LYS 74 2HG LYS 74 8.813 -0.572 -14.085 515 HG3 LYS 74 1HG LYS 74 8.462 -2.203 -13.541 516 HD2 LYS 74 2HD LYS 74 7.216 -2.532 -15.701 517 HD3 LYS 74 1HD LYS 74 7.768 -0.929 -16.199 518 HE2 LYS 74 2HE LYS 74 10.077 -1.641 -16.019 519 HE3 LYS 74 1HE LYS 74 9.572 -3.225 -15.439 520 HZ1 LYS 74 1HZ LYS 74 10.135 -3.287 -17.780 521 HZ2 LYS 74 2HZ LYS 74 8.994 -2.086 -18.117 522 HZ3 LYS 74 3HZ LYS 74 8.485 -3.589 -17.582 523 H GLN 75 H GLN 75 4.075 -0.053 -14.445 524 HA GLN 75 HA GLN 75 3.013 1.093 -11.945 525 HB2 GLN 75 2HB GLN 75 2.000 1.871 -14.157 526 HB3 GLN 75 1HB GLN 75 1.445 0.225 -14.388 527 HG2 GLN 75 2HG GLN 75 0.224 0.356 -12.229 528 HG3 GLN 75 1HG GLN 75 0.656 2.057 -12.132 529 HE21 GLN 75 1HE2 GLN 75 -0.351 3.524 -13.514 530 HE22 GLN 75 2HE2 GLN 75 -1.754 3.106 -14.420 531 H ALA 76 H ALA 76 2.026 -0.396 -10.572 532 HA ALA 76 HA ALA 76 2.548 -3.187 -11.222 533 HB1 ALA 76 1HB ALA 76 1.866 -3.425 -8.755 534 HB2 ALA 76 2HB ALA 76 2.096 -1.668 -8.651 535 HB3 ALA 76 3HB ALA 76 3.415 -2.735 -9.119 536 HA PRO 77 HA PRO 77 -1.730 -4.559 -11.691 537 HB2 PRO 77 2HB PRO 77 -1.814 -6.350 -9.569 538 HB3 PRO 77 1HB PRO 77 -1.307 -6.734 -11.228 539 HG2 PRO 77 2HG PRO 77 0.351 -6.159 -8.846 540 HG3 PRO 77 1HG PRO 77 0.636 -7.295 -10.191 541 HD2 PRO 77 2HD PRO 77 1.963 -5.022 -10.077 542 HD3 PRO 77 1HD PRO 77 1.332 -5.642 -11.622 543 H ASP 78 H ASP 78 -3.688 -4.326 -10.814 544 HA ASP 78 HA ASP 78 -4.005 -2.154 -9.045 545 HB2 ASP 78 2HB ASP 78 -5.334 -2.754 -11.100 546 HB3 ASP 78 1HB ASP 78 -6.102 -4.012 -10.158 547 H TRP 79 H TRP 79 -3.720 -5.485 -8.496 548 HA TRP 79 HA TRP 79 -5.191 -5.486 -5.995 549 HB2 TRP 79 2HB TRP 79 -4.490 -7.886 -5.868 550 HB3 TRP 79 1HB TRP 79 -5.426 -7.485 -7.307 551 HD1 TRP 79 HD TRP 79 -4.397 -8.021 -9.535 552 HE1 TRP 79 1HE TRP 79 -2.230 -9.187 -10.344 553 HE3 TRP 79 3HE TRP 79 -1.753 -8.081 -5.113 554 HZ2 TRP 79 2HZ TRP 79 0.245 -9.945 -9.284 555 HZ3 TRP 79 3HZ TRP 79 0.501 -9.006 -5.143 556 HH2 TRP 79 HH TRP 79 1.480 -9.926 -7.171 557 H LEU 80 H LEU 80 -2.147 -4.588 -6.993 558 HA LEU 80 HA LEU 80 -0.824 -5.552 -4.614 559 HB2 LEU 80 2HB LEU 80 0.317 -5.539 -6.874 560 HB3 LEU 80 1HB LEU 80 0.257 -3.779 -6.808 561 HG LEU 80 HG LEU 80 1.673 -3.783 -4.844 562 HD11 LEU 80 1HD1 LEU 80 1.074 -5.937 -3.889 563 HD12 LEU 80 2HD1 LEU 80 2.824 -5.866 -4.191 564 HD13 LEU 80 3HD1 LEU 80 1.771 -6.751 -5.295 565 HD21 LEU 80 1HD2 LEU 80 3.756 -4.541 -5.890 566 HD22 LEU 80 2HD2 LEU 80 2.745 -3.654 -7.029 567 HD23 LEU 80 3HD2 LEU 80 2.820 -5.413 -7.104 568 H ALA 81 H ALA 81 -1.127 -4.452 -2.833 569 HA ALA 81 HA ALA 81 -1.559 -1.526 -2.978 570 HB1 ALA 81 1HB ALA 81 -3.584 -2.745 -2.232 571 HB2 ALA 81 2HB ALA 81 -2.889 -1.702 -0.982 572 HB3 ALA 81 3HB ALA 81 -2.623 -3.435 -0.910 573 H ALA 82 H ALA 82 -0.986 -0.379 -1.144 574 HA ALA 82 HA ALA 82 0.780 -1.508 0.805 575 HB1 ALA 82 1HB ALA 82 1.727 0.684 -1.059 576 HB2 ALA 82 2HB ALA 82 2.371 -0.957 -0.993 577 HB3 ALA 82 3HB ALA 82 2.576 0.125 0.383 578 H GLU 83 H GLU 83 0.601 -0.346 2.675 579 HA GLU 83 HA GLU 83 -0.656 2.273 2.608 580 HB2 GLU 83 2HB GLU 83 -2.107 1.506 4.549 581 HB3 GLU 83 1HB GLU 83 -2.503 0.705 3.029 582 HG2 GLU 83 2HG GLU 83 -1.545 -1.269 3.798 583 HG3 GLU 83 1HG GLU 83 -0.724 -0.445 5.133 584 HA PRO 84 HA PRO 84 2.564 2.685 5.671 585 HB2 PRO 84 2HB PRO 84 1.725 4.753 7.165 586 HB3 PRO 84 1HB PRO 84 2.143 4.983 5.496 587 HG2 PRO 84 2HG PRO 84 -0.595 4.555 6.593 588 HG3 PRO 84 1HG PRO 84 -0.014 5.840 5.503 589 HD2 PRO 84 2HD PRO 84 -1.219 3.695 4.442 590 HD3 PRO 84 1HD PRO 84 0.250 4.427 3.730 591 H TYR 85 H TYR 85 3.058 1.744 7.525 592 HA TYR 85 HA TYR 85 1.255 -0.107 8.479 593 HB2 TYR 85 2HB TYR 85 3.060 -1.192 9.333 594 HB3 TYR 85 1HB TYR 85 3.839 -0.043 8.349 595 HD1 TYR 85 1HD TYR 85 3.489 -1.218 11.684 596 HD2 TYR 85 2HD TYR 85 4.881 2.051 9.383 597 HE1 TYR 85 1HE TYR 85 4.908 -0.513 13.569 598 HE2 TYR 85 2HE TYR 85 6.310 2.769 11.250 599 HH TYR 85 HH TYR 85 6.909 0.723 13.878 Start of MODEL 5 1 H SER 7 1HT SER 7 -20.438 35.328 -4.127 2 HA SER 7 HA SER 7 -19.571 35.443 -1.934 3 HB2 SER 7 2HB SER 7 -21.820 35.011 -0.741 4 HB3 SER 7 1HB SER 7 -21.846 36.124 -2.109 5 HG SER 7 HG SER 7 -23.187 33.821 -1.800 6 H GLY 8 H GLY 8 -18.740 34.372 -0.178 7 HA2 GLY 8 2HA GLY 8 -19.079 31.451 -0.162 8 HA3 GLY 8 1HA GLY 8 -17.529 32.244 0.130 9 H ARG 9 H ARG 9 -19.328 30.481 1.787 10 HA ARG 9 HA ARG 9 -19.372 32.269 4.095 11 HB2 ARG 9 2HB ARG 9 -21.184 29.904 3.542 12 HB3 ARG 9 1HB ARG 9 -21.128 30.796 5.058 13 HG2 ARG 9 2HG ARG 9 -21.828 32.825 3.908 14 HG3 ARG 9 1HG ARG 9 -21.882 31.946 2.384 15 HD2 ARG 9 2HD ARG 9 -23.558 31.346 4.818 16 HD3 ARG 9 1HD ARG 9 -24.101 32.242 3.403 17 HE ARG 9 HE ARG 9 -23.178 29.460 3.208 18 HH11 ARG 9 1HH1 ARG 9 -25.667 31.900 2.593 19 HH12 ARG 9 2HH1 ARG 9 -26.688 30.833 1.744 20 HH21 ARG 9 1HH2 ARG 9 -24.625 27.995 2.085 21 HH22 ARG 9 2HH2 ARG 9 -26.100 28.581 1.477 22 H GLU 10 H GLU 10 -18.910 31.172 6.120 23 HA GLU 10 HA GLU 10 -16.472 29.907 6.043 24 HB2 GLU 10 2HB GLU 10 -18.529 30.112 8.244 25 HB3 GLU 10 1HB GLU 10 -16.915 29.468 8.487 26 HG2 GLU 10 2HG GLU 10 -17.100 31.789 9.236 27 HG3 GLU 10 1HG GLU 10 -15.942 31.622 7.929 28 H ASN 11 H ASN 11 -15.906 27.960 5.646 29 HA ASN 11 HA ASN 11 -17.753 25.817 5.181 30 HB2 ASN 11 2HB ASN 11 -15.711 26.435 3.799 31 HB3 ASN 11 1HB ASN 11 -14.715 25.915 5.133 32 HD21 ASN 11 1HD2 ASN 11 -14.836 25.082 2.360 33 HD22 ASN 11 2HD2 ASN 11 -15.065 23.370 2.374 34 H LEU 12 H LEU 12 -16.851 23.641 6.154 35 HA LEU 12 HA LEU 12 -17.204 23.853 8.960 36 HB2 LEU 12 2HB LEU 12 -16.538 21.486 7.249 37 HB3 LEU 12 1HB LEU 12 -16.714 21.392 8.991 38 HG LEU 12 HG LEU 12 -18.820 22.305 7.087 39 HD11 LEU 12 1HD1 LEU 12 -18.413 19.681 8.538 40 HD12 LEU 12 2HD1 LEU 12 -18.431 19.930 6.785 41 HD13 LEU 12 3HD1 LEU 12 -19.905 20.132 7.730 42 HD21 LEU 12 1HD2 LEU 12 -18.932 21.753 10.048 43 HD22 LEU 12 2HD2 LEU 12 -20.339 22.043 9.031 44 HD23 LEU 12 3HD2 LEU 12 -19.142 23.316 9.252 45 H TYR 13 H TYR 13 -15.937 23.029 10.470 46 HA TYR 13 HA TYR 13 -13.301 24.178 10.260 47 HB2 TYR 13 2HB TYR 13 -14.827 23.135 12.653 48 HB3 TYR 13 1HB TYR 13 -13.270 23.965 12.745 49 HD1 TYR 13 1HD TYR 13 -16.846 24.394 12.439 50 HD2 TYR 13 2HD TYR 13 -13.088 26.301 11.855 51 HE1 TYR 13 1HE TYR 13 -17.979 26.575 12.288 52 HE2 TYR 13 2HE TYR 13 -14.210 28.478 11.714 53 HH TYR 13 HH TYR 13 -16.404 29.323 11.118 54 H PHE 14 H PHE 14 -11.517 22.984 11.564 55 HA PHE 14 HA PHE 14 -11.236 20.534 10.100 56 HB2 PHE 14 2HB PHE 14 -9.271 22.087 11.785 57 HB3 PHE 14 1HB PHE 14 -8.874 20.587 10.945 58 HD1 PHE 14 1HD PHE 14 -9.648 24.144 10.545 59 HD2 PHE 14 2HD PHE 14 -8.721 20.506 8.538 60 HE1 PHE 14 1HE PHE 14 -9.211 25.400 8.481 61 HE2 PHE 14 2HE PHE 14 -8.276 21.758 6.471 62 HZ PHE 14 HZ PHE 14 -8.523 24.209 6.435 63 H GLN 15 H GLN 15 -11.539 18.657 10.799 64 HA GLN 15 HA GLN 15 -12.284 18.178 13.544 65 HB2 GLN 15 2HB GLN 15 -13.246 16.181 12.730 66 HB3 GLN 15 1HB GLN 15 -13.530 17.343 11.450 67 HG2 GLN 15 2HG GLN 15 -11.443 15.165 11.495 68 HG3 GLN 15 1HG GLN 15 -12.917 15.189 10.548 69 HE21 GLN 15 1HE2 GLN 15 -10.131 14.882 9.823 70 HE22 GLN 15 2HE2 GLN 15 -9.787 16.083 8.632 71 H GLY 16 H GLY 16 -11.425 15.841 14.220 72 HA2 GLY 16 2HA GLY 16 -8.652 15.912 14.614 73 HA3 GLY 16 1HA GLY 16 -9.651 14.462 14.768 74 H HIS 17 H HIS 17 -7.051 15.557 13.264 75 HA HIS 17 HA HIS 17 -7.506 14.835 10.535 76 HB2 HIS 17 2HB HIS 17 -5.818 16.505 11.362 77 HB3 HIS 17 1HB HIS 17 -4.890 15.170 12.025 78 HD1 HIS 17 1HD HIS 17 -3.439 13.805 10.303 79 HD2 HIS 17 2HD HIS 17 -5.739 16.826 8.622 80 HE1 HIS 17 1HE HIS 17 -2.574 14.118 7.969 81 H MET 18 H MET 18 -6.462 13.034 9.475 82 HA MET 18 HA MET 18 -6.759 10.587 10.774 83 HB2 MET 18 2HB MET 18 -7.068 10.720 8.412 84 HB3 MET 18 1HB MET 18 -5.478 11.404 8.174 85 HG2 MET 18 2HG MET 18 -5.702 8.635 9.246 86 HG3 MET 18 1HG MET 18 -6.044 8.919 7.539 87 HE1 MET 18 1HE MET 18 -3.722 6.957 8.531 88 HE2 MET 18 2HE MET 18 -2.430 7.406 7.418 89 HE3 MET 18 3HE MET 18 -4.088 7.272 6.835 90 H ALA 19 H ALA 19 -5.477 9.327 11.887 91 HA ALA 19 HA ALA 19 -3.349 10.302 13.324 92 HB1 ALA 19 1HB ALA 19 -4.111 7.436 12.787 93 HB2 ALA 19 2HB ALA 19 -4.778 8.463 14.057 94 HB3 ALA 19 3HB ALA 19 -3.079 7.998 14.101 95 H ALA 20 H ALA 20 -1.270 10.189 13.169 96 HA ALA 20 HA ALA 20 -0.019 10.335 10.720 97 HB1 ALA 20 1HB ALA 20 2.089 10.381 11.913 98 HB2 ALA 20 2HB ALA 20 1.308 9.734 13.353 99 HB3 ALA 20 3HB ALA 20 0.872 11.336 12.760 100 HA PRO 21 HA PRO 21 0.646 6.052 9.504 101 HB2 PRO 21 2HB PRO 21 2.751 7.318 7.835 102 HB3 PRO 21 1HB PRO 21 1.395 6.290 7.331 103 HG2 PRO 21 2HG PRO 21 1.344 8.870 6.819 104 HG3 PRO 21 1HG PRO 21 -0.129 8.014 7.338 105 HD2 PRO 21 2HD PRO 21 1.670 9.806 8.906 106 HD3 PRO 21 1HD PRO 21 -0.109 9.677 8.891 107 H ALA 22 H ALA 22 2.247 4.468 9.906 108 HA ALA 22 HA ALA 22 4.102 5.062 11.967 109 HB1 ALA 22 1HB ALA 22 2.816 2.990 11.793 110 HB2 ALA 22 2HB ALA 22 4.573 2.627 11.778 111 HB3 ALA 22 3HB ALA 22 3.647 2.652 10.297 112 H ARG 23 H ARG 23 4.738 6.215 9.380 113 HA ARG 23 HA ARG 23 6.476 6.543 7.895 114 HB2 ARG 23 2HB ARG 23 7.937 5.768 10.407 115 HB3 ARG 23 1HB ARG 23 8.785 6.315 8.961 116 HG2 ARG 23 2HG ARG 23 7.544 8.394 8.997 117 HG3 ARG 23 1HG ARG 23 6.663 7.855 10.422 118 HD2 ARG 23 2HD ARG 23 8.629 7.933 11.753 119 HD3 ARG 23 1HD ARG 23 9.659 8.173 10.335 120 HE ARG 23 HE ARG 23 8.195 10.236 10.051 121 HH11 ARG 23 1HH1 ARG 23 9.282 9.054 13.210 122 HH12 ARG 23 2HH1 ARG 23 9.424 10.594 13.904 123 HH21 ARG 23 1HH2 ARG 23 8.341 12.366 11.027 124 HH22 ARG 23 2HH2 ARG 23 8.872 12.509 12.623 125 H SER 24 H SER 24 5.239 4.017 7.638 126 HA SER 24 HA SER 24 7.395 2.465 6.418 127 HB2 SER 24 2HB SER 24 5.274 1.397 8.274 128 HB3 SER 24 1HB SER 24 6.535 0.455 7.469 129 HG SER 24 HG SER 24 6.763 2.387 9.538 130 H CYS 25 H CYS 25 6.625 1.563 4.428 131 HA CYS 25 HA CYS 25 3.746 1.695 3.928 132 HB2 CYS 25 2HB CYS 25 6.142 1.542 2.065 133 HB3 CYS 25 1HB CYS 25 4.478 1.278 1.534 134 H VAL 26 H VAL 26 2.783 -0.226 3.723 135 HA VAL 26 HA VAL 26 4.506 -2.565 4.074 136 HB VAL 26 HB VAL 26 1.606 -2.288 4.884 137 HG11 VAL 26 1HG1 VAL 26 3.859 -3.929 5.963 138 HG12 VAL 26 2HG1 VAL 26 2.555 -4.536 4.916 139 HG13 VAL 26 3HG1 VAL 26 2.201 -3.918 6.544 140 HG21 VAL 26 1HG2 VAL 26 2.782 -0.456 5.812 141 HG22 VAL 26 2HG2 VAL 26 3.950 -1.559 6.562 142 HG23 VAL 26 3HG2 VAL 26 2.225 -1.609 7.012 143 H TYR 27 H TYR 27 4.430 -3.913 2.434 144 HA TYR 27 HA TYR 27 2.533 -3.348 0.326 145 HB2 TYR 27 2HB TYR 27 5.158 -4.822 0.340 146 HB3 TYR 27 1HB TYR 27 4.063 -4.825 -1.046 147 HD1 TYR 27 1HD TYR 27 5.643 -2.368 1.299 148 HD2 TYR 27 2HD TYR 27 4.392 -3.237 -2.658 149 HE1 TYR 27 1HE TYR 27 6.515 -0.208 0.578 150 HE2 TYR 27 2HE TYR 27 5.281 -1.054 -3.406 151 HH TYR 27 HH TYR 27 7.301 0.852 -1.555 152 H TYR 28 H TYR 28 1.060 -4.632 -0.342 153 HA TYR 28 HA TYR 28 0.840 -7.263 0.871 154 HB2 TYR 28 2HB TYR 28 -1.366 -5.233 0.562 155 HB3 TYR 28 1HB TYR 28 -1.478 -6.939 0.993 156 HD1 TYR 28 1HD TYR 28 -0.475 -3.589 2.202 157 HD2 TYR 28 2HD TYR 28 -1.031 -7.678 3.242 158 HE1 TYR 28 1HE TYR 28 -0.357 -3.012 4.557 159 HE2 TYR 28 2HE TYR 28 -0.906 -7.106 5.602 160 HH TYR 28 HH TYR 28 -1.048 -3.850 6.693 161 H ASP 29 H ASP 29 -0.323 -8.653 -0.272 162 HA ASP 29 HA ASP 29 -0.838 -8.158 -3.138 163 HB2 ASP 29 2HB ASP 29 0.628 -10.059 -2.497 164 HB3 ASP 29 1HB ASP 29 -0.630 -10.627 -1.419 165 H GLY 30 H GLY 30 -2.899 -7.288 -3.155 166 HA2 GLY 30 2HA GLY 30 -5.027 -9.041 -2.588 167 HA3 GLY 30 1HA GLY 30 -5.013 -7.841 -1.342 168 H HIS 31 H HIS 31 -6.541 -8.671 -3.711 169 HA HIS 31 HA HIS 31 -6.779 -6.241 -5.269 170 HB2 HIS 31 2HB HIS 31 -8.590 -7.363 -6.507 171 HB3 HIS 31 1HB HIS 31 -7.126 -8.345 -6.425 172 HD1 HIS 31 1HD HIS 31 -10.082 -9.373 -7.004 173 HD2 HIS 31 2HD HIS 31 -8.051 -9.668 -3.394 174 HE1 HIS 31 1HE HIS 31 -11.093 -11.337 -5.774 175 H LEU 32 H LEU 32 -7.972 -7.314 -2.374 176 HA LEU 32 HA LEU 32 -9.830 -5.069 -2.183 177 HB2 LEU 32 2HB LEU 32 -10.209 -7.885 -1.155 178 HB3 LEU 32 1HB LEU 32 -10.923 -6.535 -0.321 179 HG LEU 32 HG LEU 32 -12.195 -6.033 -2.395 180 HD11 LEU 32 1HD1 LEU 32 -11.252 -8.762 -3.260 181 HD12 LEU 32 2HD1 LEU 32 -10.831 -7.230 -4.021 182 HD13 LEU 32 3HD1 LEU 32 -12.502 -7.802 -4.054 183 HD21 LEU 32 1HD2 LEU 32 -13.846 -7.808 -2.029 184 HD22 LEU 32 2HD2 LEU 32 -13.218 -7.140 -0.518 185 HD23 LEU 32 3HD2 LEU 32 -12.649 -8.705 -1.096 186 HA PRO 33 HA PRO 33 -7.185 -4.219 1.317 187 HB2 PRO 33 2HB PRO 33 -8.971 -3.006 3.017 188 HB3 PRO 33 1HB PRO 33 -8.253 -2.178 1.620 189 HG2 PRO 33 2HG PRO 33 -10.936 -3.418 1.875 190 HG3 PRO 33 1HG PRO 33 -10.449 -1.906 1.080 191 HD2 PRO 33 2HD PRO 33 -10.942 -4.144 -0.325 192 HD3 PRO 33 1HD PRO 33 -9.706 -2.957 -0.811 193 H ALA 34 H ALA 34 -10.064 -6.033 1.503 194 HA ALA 34 HA ALA 34 -9.804 -6.977 4.193 195 HB1 ALA 34 1HB ALA 34 -11.351 -8.108 1.863 196 HB2 ALA 34 2HB ALA 34 -11.961 -6.950 3.044 197 HB3 ALA 34 3HB ALA 34 -11.537 -8.588 3.548 198 H THR 35 H THR 35 -9.039 -8.358 0.980 199 HA THR 35 HA THR 35 -8.018 -10.766 2.192 200 HB THR 35 HB THR 35 -7.865 -11.347 -0.309 201 HG1 THR 35 1HG THR 35 -9.261 -10.058 -1.571 202 HG21 THR 35 1HG2 THR 35 -9.589 -12.234 1.204 203 HG22 THR 35 2HG2 THR 35 -10.271 -11.869 -0.379 204 HG23 THR 35 3HG2 THR 35 -10.544 -10.771 0.974 205 H ARG 36 H ARG 36 -6.500 -8.050 2.152 206 HA ARG 36 HA ARG 36 -4.381 -8.695 0.396 207 HB2 ARG 36 2HB ARG 36 -3.191 -6.733 1.533 208 HB3 ARG 36 1HB ARG 36 -4.561 -6.420 0.498 209 HG2 ARG 36 2HG ARG 36 -4.517 -4.975 2.420 210 HG3 ARG 36 1HG ARG 36 -5.912 -6.030 2.493 211 HD2 ARG 36 2HD ARG 36 -5.016 -7.255 4.272 212 HD3 ARG 36 1HD ARG 36 -3.371 -6.691 3.949 213 HE ARG 36 HE ARG 36 -4.981 -4.513 4.452 214 HH11 ARG 36 1HH1 ARG 36 -4.140 -7.319 6.392 215 HH12 ARG 36 2HH1 ARG 36 -3.643 -6.460 7.764 216 HH21 ARG 36 1HH2 ARG 36 -4.219 -3.257 6.295 217 HH22 ARG 36 2HH2 ARG 36 -3.710 -4.038 7.726 218 H VAL 37 H VAL 37 -2.471 -9.512 0.622 219 HA VAL 37 HA VAL 37 -1.974 -11.039 3.097 220 HB VAL 37 HB VAL 37 -0.838 -11.454 0.316 221 HG11 VAL 37 1HG1 VAL 37 0.605 -12.357 2.016 222 HG12 VAL 37 2HG1 VAL 37 -0.150 -13.655 1.095 223 HG13 VAL 37 3HG1 VAL 37 -0.743 -13.261 2.709 224 HG21 VAL 37 1HG2 VAL 37 -2.340 -13.370 0.095 225 HG22 VAL 37 2HG2 VAL 37 -3.227 -11.854 0.259 226 HG23 VAL 37 3HG2 VAL 37 -3.094 -12.953 1.636 227 H LEU 38 H LEU 38 -0.115 -10.662 4.188 228 HA LEU 38 HA LEU 38 1.350 -8.288 3.714 229 HB2 LEU 38 2HB LEU 38 0.792 -9.412 5.929 230 HB3 LEU 38 1HB LEU 38 2.038 -10.571 5.565 231 HG LEU 38 HG LEU 38 2.719 -8.911 7.206 232 HD11 LEU 38 1HD1 LEU 38 4.273 -8.584 4.654 233 HD12 LEU 38 2HD1 LEU 38 4.504 -9.851 5.851 234 HD13 LEU 38 3HD1 LEU 38 4.844 -8.171 6.270 235 HD21 LEU 38 1HD2 LEU 38 1.386 -7.060 6.520 236 HD22 LEU 38 2HD2 LEU 38 2.336 -6.886 5.042 237 HD23 LEU 38 3HD2 LEU 38 3.083 -6.594 6.611 238 H LEU 39 H LEU 39 2.800 -8.109 2.167 239 HA LEU 39 HA LEU 39 4.372 -10.398 1.318 240 HB2 LEU 39 2HB LEU 39 4.219 -7.568 0.292 241 HB3 LEU 39 1HB LEU 39 5.223 -8.826 -0.410 242 HG LEU 39 HG LEU 39 2.209 -8.927 -0.256 243 HD11 LEU 39 1HD1 LEU 39 2.285 -8.542 -2.665 244 HD12 LEU 39 2HD1 LEU 39 4.034 -8.312 -2.574 245 HD13 LEU 39 3HD1 LEU 39 2.948 -7.178 -1.770 246 HD21 LEU 39 1HD2 LEU 39 2.482 -10.815 -1.803 247 HD22 LEU 39 2HD2 LEU 39 3.239 -11.113 -0.236 248 HD23 LEU 39 3HD2 LEU 39 4.235 -10.674 -1.626 249 H MET 40 H MET 40 4.990 -7.058 2.290 250 HA MET 40 HA MET 40 7.096 -7.599 4.125 251 HB2 MET 40 2HB MET 40 8.953 -6.684 2.829 252 HB3 MET 40 1HB MET 40 8.405 -8.243 2.176 253 HG2 MET 40 2HG MET 40 7.122 -6.932 0.490 254 HG3 MET 40 1HG MET 40 7.869 -5.493 1.196 255 HE1 MET 40 1HE MET 40 10.435 -4.881 0.945 256 HE2 MET 40 2HE MET 40 11.649 -5.983 0.286 257 HE3 MET 40 3HE MET 40 10.813 -6.380 1.789 258 H TYR 41 H TYR 41 8.229 -5.750 4.775 259 HA TYR 41 HA TYR 41 6.574 -3.324 4.656 260 HB2 TYR 41 2HB TYR 41 8.530 -4.374 6.691 261 HB3 TYR 41 1HB TYR 41 8.039 -2.691 6.670 262 HD1 TYR 41 1HD TYR 41 6.142 -2.019 7.785 263 HD2 TYR 41 2HD TYR 41 6.676 -6.158 6.981 264 HE1 TYR 41 1HE TYR 41 4.220 -2.531 9.215 265 HE2 TYR 41 2HE TYR 41 4.742 -6.682 8.413 266 HH TYR 41 HH TYR 41 3.565 -5.610 10.315 267 H VAL 42 H VAL 42 7.457 -1.404 4.035 268 HA VAL 42 HA VAL 42 10.331 -1.320 3.459 269 HB VAL 42 HB VAL 42 8.191 0.119 1.880 270 HG11 VAL 42 1HG1 VAL 42 10.020 0.614 0.321 271 HG12 VAL 42 2HG1 VAL 42 11.160 -0.198 1.389 272 HG13 VAL 42 3HG1 VAL 42 10.345 1.275 1.922 273 HG21 VAL 42 1HG2 VAL 42 8.047 -2.242 1.476 274 HG22 VAL 42 2HG2 VAL 42 9.784 -2.323 1.152 275 HG23 VAL 42 3HG2 VAL 42 8.713 -1.415 0.067 276 H ARG 43 H ARG 43 11.255 0.405 4.523 277 HA ARG 43 HA ARG 43 9.592 2.037 6.205 278 HB2 ARG 43 2HB ARG 43 11.996 1.281 6.704 279 HB3 ARG 43 1HB ARG 43 12.515 2.472 5.524 280 HG2 ARG 43 2HG ARG 43 12.775 3.483 7.643 281 HG3 ARG 43 1HG ARG 43 11.334 4.200 6.931 282 HD2 ARG 43 2HD ARG 43 10.929 3.680 9.265 283 HD3 ARG 43 1HD ARG 43 9.924 2.655 8.246 284 HE ARG 43 HE ARG 43 12.425 1.464 8.958 285 HH11 ARG 43 1HH1 ARG 43 9.045 1.840 10.012 286 HH12 ARG 43 2HH1 ARG 43 9.129 0.554 11.119 287 HH21 ARG 43 1HH2 ARG 43 12.479 -0.317 10.424 288 HH22 ARG 43 2HH2 ARG 43 11.100 -0.730 11.340 289 H ILE 44 H ILE 44 8.826 3.995 5.688 290 HA ILE 44 HA ILE 44 8.552 4.990 3.080 291 HB ILE 44 HB ILE 44 8.808 6.818 5.463 292 HG12 ILE 44 2HG1 ILE 44 7.079 5.047 5.606 293 HG13 ILE 44 1HG1 ILE 44 6.515 6.694 5.924 294 HG21 ILE 44 1HG2 ILE 44 8.988 8.043 3.401 295 HG22 ILE 44 2HG2 ILE 44 7.423 8.409 4.141 296 HG23 ILE 44 3HG2 ILE 44 7.523 7.289 2.781 297 HD11 ILE 44 1HD1 ILE 44 4.869 5.409 4.778 298 HD12 ILE 44 2HD1 ILE 44 5.990 4.922 3.527 299 HD13 ILE 44 3HD1 ILE 44 5.466 6.615 3.656 300 H GLY 45 H GLY 45 9.983 5.617 1.688 301 HA2 GLY 45 2HA GLY 45 11.436 7.475 1.012 302 HA3 GLY 45 1HA GLY 45 12.277 7.274 2.544 303 H ASN 46 H ASN 46 11.643 4.275 1.748 304 HA ASN 46 HA ASN 46 14.252 3.936 0.412 305 HB2 ASN 46 2HB ASN 46 14.105 3.192 2.693 306 HB3 ASN 46 1HB ASN 46 12.760 2.139 2.209 307 HD21 ASN 46 1HD2 ASN 46 13.959 0.234 2.894 308 HD22 ASN 46 2HD2 ASN 46 15.337 -0.311 2.014 309 H THR 47 H THR 47 14.484 2.063 -0.802 310 HA THR 47 HA THR 47 12.194 1.449 -2.546 311 HB THR 47 HB THR 47 14.034 0.520 -3.998 312 HG1 THR 47 1HG THR 47 16.121 1.542 -3.546 313 HG21 THR 47 1HG2 THR 47 12.968 2.645 -4.541 314 HG22 THR 47 2HG2 THR 47 14.692 2.735 -4.900 315 HG23 THR 47 3HG2 THR 47 14.054 3.493 -3.443 316 H ALA 48 H ALA 48 12.018 -0.671 -3.265 317 HA ALA 48 HA ALA 48 13.310 -2.776 -1.736 318 HB1 ALA 48 1HB ALA 48 11.290 -3.750 -0.827 319 HB2 ALA 48 2HB ALA 48 10.336 -2.424 -1.494 320 HB3 ALA 48 3HB ALA 48 11.519 -2.107 -0.224 321 H THR 49 H THR 49 13.040 -4.815 -2.552 322 HA THR 49 HA THR 49 11.783 -4.978 -5.192 323 HB THR 49 HB THR 49 13.814 -6.869 -3.956 324 HG1 THR 49 1HG THR 49 14.111 -4.382 -4.526 325 HG21 THR 49 1HG2 THR 49 13.048 -6.267 -6.830 326 HG22 THR 49 2HG2 THR 49 12.559 -7.699 -5.925 327 HG23 THR 49 3HG2 THR 49 14.260 -7.441 -6.310 328 H ILE 50 H ILE 50 9.811 -5.763 -5.005 329 HA ILE 50 HA ILE 50 8.961 -7.401 -2.715 330 HB ILE 50 HB ILE 50 7.240 -6.488 -5.000 331 HG12 ILE 50 2HG1 ILE 50 8.368 -4.439 -4.271 332 HG13 ILE 50 1HG1 ILE 50 6.656 -4.420 -3.827 333 HG21 ILE 50 1HG2 ILE 50 6.654 -6.993 -2.098 334 HG22 ILE 50 2HG2 ILE 50 6.264 -8.043 -3.460 335 HG23 ILE 50 3HG2 ILE 50 5.472 -6.474 -3.300 336 HD11 ILE 50 1HD1 ILE 50 7.268 -5.016 -1.565 337 HD12 ILE 50 2HD1 ILE 50 8.059 -3.510 -2.089 338 HD13 ILE 50 3HD1 ILE 50 8.967 -5.034 -2.040 339 H THR 51 H THR 51 9.099 -9.598 -3.097 340 HA THR 51 HA THR 51 8.559 -10.448 -5.850 341 HB THR 51 HB THR 51 9.336 -12.115 -3.449 342 HG1 THR 51 1HG THR 51 10.738 -10.383 -4.771 343 HG21 THR 51 1HG2 THR 51 9.410 -12.734 -6.415 344 HG22 THR 51 2HG2 THR 51 8.216 -13.346 -5.278 345 HG23 THR 51 3HG2 THR 51 9.902 -13.832 -5.123 346 H ALA 52 H ALA 52 6.531 -10.964 -6.342 347 HA ALA 52 HA ALA 52 4.786 -12.243 -4.410 348 HB1 ALA 52 1HB ALA 52 2.961 -10.651 -4.825 349 HB2 ALA 52 2HB ALA 52 4.053 -9.653 -5.788 350 HB3 ALA 52 3HB ALA 52 4.342 -9.866 -4.063 351 H ARG 53 H ARG 53 3.787 -13.802 -5.405 352 HA ARG 53 HA ARG 53 2.979 -15.222 -6.916 353 HB2 ARG 53 2HB ARG 53 2.278 -12.746 -8.492 354 HB3 ARG 53 1HB ARG 53 1.569 -14.355 -8.707 355 HG2 ARG 53 2HG ARG 53 0.736 -14.220 -6.392 356 HG3 ARG 53 1HG ARG 53 1.342 -12.555 -6.323 357 HD2 ARG 53 2HD ARG 53 -0.098 -12.050 -8.300 358 HD3 ARG 53 1HD ARG 53 -0.784 -13.669 -8.144 359 HE ARG 53 HE ARG 53 -0.868 -12.051 -5.761 360 HH11 ARG 53 1HH1 ARG 53 -2.618 -13.112 -8.640 361 HH12 ARG 53 2HH1 ARG 53 -4.136 -12.617 -8.051 362 HH21 ARG 53 1HH2 ARG 53 -2.913 -11.367 -4.997 363 HH22 ARG 53 2HH2 ARG 53 -4.325 -11.530 -5.957 364 H GLY 54 H GLY 54 5.667 -14.574 -7.063 365 HA2 GLY 54 2HA GLY 54 7.439 -15.297 -8.311 366 HA3 GLY 54 1HA GLY 54 6.301 -15.841 -9.554 367 H HIS 55 H HIS 55 6.335 -12.605 -8.349 368 HA HIS 55 HA HIS 55 7.902 -11.671 -10.688 369 HB2 HIS 55 2HB HIS 55 5.488 -10.263 -9.513 370 HB3 HIS 55 1HB HIS 55 6.482 -9.695 -10.852 371 HD1 HIS 55 1HD HIS 55 5.843 -10.577 -13.194 372 HD2 HIS 55 2HD HIS 55 3.648 -12.244 -10.095 373 HE1 HIS 55 1HE HIS 55 3.880 -11.724 -14.269 374 H GLU 56 H GLU 56 9.603 -10.418 -10.019 375 HA GLU 56 HA GLU 56 9.440 -9.245 -7.381 376 HB2 GLU 56 2HB GLU 56 11.728 -9.328 -9.352 377 HB3 GLU 56 1HB GLU 56 11.777 -8.459 -7.836 378 HG2 GLU 56 2HG GLU 56 12.889 -10.431 -7.344 379 HG3 GLU 56 1HG GLU 56 11.243 -10.735 -6.787 380 H PHE 57 H PHE 57 8.829 -7.190 -7.116 381 HA PHE 57 HA PHE 57 8.779 -5.346 -9.417 382 HB2 PHE 57 2HB PHE 57 7.170 -5.424 -6.848 383 HB3 PHE 57 1HB PHE 57 6.993 -4.247 -8.141 384 HD1 PHE 57 1HD PHE 57 6.062 -7.477 -6.853 385 HD2 PHE 57 2HD PHE 57 5.995 -5.004 -10.320 386 HE1 PHE 57 1HE PHE 57 4.272 -8.864 -7.807 387 HE2 PHE 57 2HE PHE 57 4.206 -6.397 -11.278 388 HZ PHE 57 HZ PHE 57 3.340 -8.324 -10.010 389 H GLU 58 H GLU 58 10.406 -3.811 -9.183 390 HA GLU 58 HA GLU 58 11.254 -3.344 -6.443 391 HB2 GLU 58 2HB GLU 58 13.059 -3.785 -8.146 392 HB3 GLU 58 1HB GLU 58 12.561 -2.304 -8.971 393 HG2 GLU 58 2HG GLU 58 13.034 -1.045 -6.909 394 HG3 GLU 58 1HG GLU 58 13.642 -2.567 -6.250 395 H VAL 59 H VAL 59 10.570 -1.717 -5.445 396 HA VAL 59 HA VAL 59 9.087 0.489 -6.804 397 HB VAL 59 HB VAL 59 7.689 0.490 -4.727 398 HG11 VAL 59 1HG1 VAL 59 7.708 -2.072 -6.316 399 HG12 VAL 59 2HG1 VAL 59 6.734 -0.614 -6.636 400 HG13 VAL 59 3HG1 VAL 59 6.433 -1.597 -5.203 401 HG21 VAL 59 1HG2 VAL 59 9.105 -2.081 -4.279 402 HG22 VAL 59 2HG2 VAL 59 7.770 -1.443 -3.287 403 HG23 VAL 59 3HG2 VAL 59 9.349 -0.593 -3.367 404 H GLU 60 H GLU 60 8.801 2.250 -5.392 405 HA GLU 60 HA GLU 60 10.941 2.691 -3.462 406 HB2 GLU 60 2HB GLU 60 11.498 3.853 -5.600 407 HB3 GLU 60 1HB GLU 60 9.943 4.687 -5.519 408 HG2 GLU 60 2HG GLU 60 10.627 5.835 -3.506 409 HG3 GLU 60 1HG GLU 60 12.146 4.936 -3.475 410 H ALA 61 H ALA 61 9.898 2.862 -1.609 411 HA ALA 61 HA ALA 61 7.116 3.676 -1.560 412 HB1 ALA 61 1HB ALA 61 7.860 1.939 0.019 413 HB2 ALA 61 2HB ALA 61 7.308 3.366 0.894 414 HB3 ALA 61 3HB ALA 61 9.034 3.060 0.706 415 H LYS 62 H LYS 62 7.190 5.644 -2.323 416 HA LYS 62 HA LYS 62 9.117 7.556 -1.724 417 HB2 LYS 62 2HB LYS 62 7.616 9.166 -2.881 418 HB3 LYS 62 1HB LYS 62 8.013 7.706 -3.781 419 HG2 LYS 62 2HG LYS 62 5.919 6.770 -3.361 420 HG3 LYS 62 1HG LYS 62 5.475 8.066 -2.233 421 HD2 LYS 62 2HD LYS 62 5.695 9.678 -4.118 422 HD3 LYS 62 1HD LYS 62 5.905 8.307 -5.211 423 HE2 LYS 62 2HE LYS 62 3.706 7.470 -4.641 424 HE3 LYS 62 1HE LYS 62 3.518 8.720 -3.413 425 HZ1 LYS 62 1HZ LYS 62 3.746 9.233 -6.345 426 HZ2 LYS 62 2HZ LYS 62 3.558 10.386 -5.138 427 HZ3 LYS 62 3HZ LYS 62 2.333 9.309 -5.428 428 H ASP 63 H ASP 63 5.762 7.394 -0.585 429 HA ASP 63 HA ASP 63 6.439 8.976 1.714 430 HB2 ASP 63 2HB ASP 63 4.882 10.770 1.324 431 HB3 ASP 63 1HB ASP 63 5.989 10.701 -0.036 432 H GLN 64 H GLN 64 4.171 9.518 2.755 433 HA GLN 64 HA GLN 64 3.206 7.035 3.566 434 HB2 GLN 64 2HB GLN 64 1.569 8.434 4.915 435 HB3 GLN 64 1HB GLN 64 3.286 8.526 5.280 436 HG2 GLN 64 2HG GLN 64 2.394 10.723 5.401 437 HG3 GLN 64 1HG GLN 64 3.367 10.633 3.945 438 HE21 GLN 64 1HE2 GLN 64 2.395 12.292 2.950 439 HE22 GLN 64 2HE2 GLN 64 0.765 12.279 2.386 440 H ASN 65 H ASN 65 2.142 8.707 0.851 441 HA ASN 65 HA ASN 65 -0.528 7.671 0.947 442 HB2 ASN 65 2HB ASN 65 -0.012 9.520 -0.568 443 HB3 ASN 65 1HB ASN 65 1.154 8.510 -1.435 444 HD21 ASN 65 1HD2 ASN 65 -2.233 9.153 -0.851 445 HD22 ASN 65 2HD2 ASN 65 -2.835 8.208 -2.153 446 H CYS 66 H CYS 66 2.578 6.481 0.222 447 HA CYS 66 HA CYS 66 3.463 4.544 -0.408 448 HB2 CYS 66 2HB CYS 66 1.048 3.561 1.090 449 HB3 CYS 66 1HB CYS 66 2.402 2.537 0.576 450 H LYS 67 H LYS 67 2.026 5.639 -2.562 451 HA LYS 67 HA LYS 67 0.532 3.646 -3.783 452 HB2 LYS 67 2HB LYS 67 0.799 6.193 -4.304 453 HB3 LYS 67 1HB LYS 67 2.171 5.667 -5.267 454 HG2 LYS 67 2HG LYS 67 0.347 5.865 -6.761 455 HG3 LYS 67 1HG LYS 67 0.563 4.138 -6.475 456 HD2 LYS 67 2HD LYS 67 -1.118 5.455 -4.549 457 HD3 LYS 67 1HD LYS 67 -1.831 5.481 -6.176 458 HE2 LYS 67 2HE LYS 67 -1.609 2.992 -6.193 459 HE3 LYS 67 1HE LYS 67 -0.968 3.048 -4.557 460 HZ1 LYS 67 1HZ LYS 67 -3.361 2.552 -4.636 461 HZ2 LYS 67 2HZ LYS 67 -3.632 4.063 -5.333 462 HZ3 LYS 67 3HZ LYS 67 -3.010 3.953 -3.773 463 H VAL 68 H VAL 68 1.234 1.949 -4.903 464 HA VAL 68 HA VAL 68 3.981 1.272 -4.881 465 HB VAL 68 HB VAL 68 2.450 -0.575 -4.742 466 HG11 VAL 68 1HG1 VAL 68 0.905 -1.208 -6.537 467 HG12 VAL 68 2HG1 VAL 68 1.337 0.254 -7.422 468 HG13 VAL 68 3HG1 VAL 68 0.511 0.375 -5.869 469 HG21 VAL 68 1HG2 VAL 68 4.529 -1.051 -5.925 470 HG22 VAL 68 2HG2 VAL 68 3.782 -0.603 -7.452 471 HG23 VAL 68 3HG2 VAL 68 3.207 -2.016 -6.574 472 H ILE 69 H ILE 69 5.245 2.546 -5.930 473 HA ILE 69 HA ILE 69 4.768 2.885 -8.783 474 HB ILE 69 HB ILE 69 6.156 4.761 -6.843 475 HG12 ILE 69 2HG1 ILE 69 3.773 5.137 -8.652 476 HG13 ILE 69 1HG1 ILE 69 3.683 4.752 -6.942 477 HG21 ILE 69 1HG2 ILE 69 5.948 5.001 -9.851 478 HG22 ILE 69 2HG2 ILE 69 7.425 4.667 -8.948 479 HG23 ILE 69 3HG2 ILE 69 6.612 6.223 -8.763 480 HD11 ILE 69 1HD1 ILE 69 4.778 6.885 -6.438 481 HD12 ILE 69 2HD1 ILE 69 3.273 7.098 -7.323 482 HD13 ILE 69 3HD1 ILE 69 4.820 7.262 -8.161 483 H LEU 70 H LEU 70 6.053 1.795 -9.952 484 HA LEU 70 HA LEU 70 8.248 0.407 -8.764 485 HB2 LEU 70 2HB LEU 70 7.261 0.421 -11.594 486 HB3 LEU 70 1HB LEU 70 8.591 -0.545 -11.008 487 HG LEU 70 HG LEU 70 6.758 -1.904 -11.218 488 HD11 LEU 70 1HD1 LEU 70 6.305 -2.704 -8.977 489 HD12 LEU 70 2HD1 LEU 70 7.276 -1.356 -8.366 490 HD13 LEU 70 3HD1 LEU 70 8.002 -2.564 -9.430 491 HD21 LEU 70 1HD2 LEU 70 4.615 -1.569 -10.039 492 HD22 LEU 70 2HD2 LEU 70 4.949 -0.300 -11.221 493 HD23 LEU 70 3HD2 LEU 70 5.200 0.002 -9.500 494 H THR 71 H THR 71 10.137 0.499 -9.202 495 HA THR 71 HA THR 71 11.375 3.039 -9.920 496 HB THR 71 HB THR 71 13.518 1.862 -9.582 497 HG1 THR 71 1HG THR 71 13.502 -0.349 -9.319 498 HG21 THR 71 1HG2 THR 71 13.120 1.115 -7.305 499 HG22 THR 71 2HG2 THR 71 11.396 0.967 -7.681 500 HG23 THR 71 3HG2 THR 71 12.143 2.568 -7.651 501 H ASN 72 H ASN 72 10.420 0.292 -11.500 502 HA ASN 72 HA ASN 72 12.279 0.305 -13.733 503 HB2 ASN 72 2HB ASN 72 9.690 -1.213 -13.352 504 HB3 ASN 72 1HB ASN 72 10.781 -1.423 -14.715 505 HD21 ASN 72 1HD2 ASN 72 11.836 -1.123 -11.302 506 HD22 ASN 72 2HD2 ASN 72 12.365 -2.754 -11.231 507 H GLY 73 H GLY 73 9.638 2.071 -12.859 508 HA2 GLY 73 2HA GLY 73 8.636 3.866 -14.007 509 HA3 GLY 73 1HA GLY 73 9.482 3.340 -15.471 510 H LYS 74 H LYS 74 7.883 1.095 -13.620 511 HA LYS 74 HA LYS 74 5.972 0.531 -15.750 512 HB2 LYS 74 2HB LYS 74 7.238 -1.144 -13.589 513 HB3 LYS 74 1HB LYS 74 6.100 -1.774 -14.774 514 HG2 LYS 74 2HG LYS 74 8.634 -0.412 -15.502 515 HG3 LYS 74 1HG LYS 74 8.603 -2.121 -15.150 516 HD2 LYS 74 2HD LYS 74 6.977 -2.399 -17.030 517 HD3 LYS 74 1HD LYS 74 7.053 -0.660 -17.316 518 HE2 LYS 74 2HE LYS 74 9.418 -2.521 -17.443 519 HE3 LYS 74 1HE LYS 74 8.494 -1.983 -18.849 520 HZ1 LYS 74 1HZ LYS 74 9.999 -0.149 -17.006 521 HZ2 LYS 74 2HZ LYS 74 9.174 0.280 -18.417 522 HZ3 LYS 74 3HZ LYS 74 10.513 -0.705 -18.503 523 H GLN 75 H GLN 75 4.002 -0.379 -15.053 524 HA GLN 75 HA GLN 75 3.077 0.582 -12.442 525 HB2 GLN 75 2HB GLN 75 1.479 -0.153 -14.908 526 HB3 GLN 75 1HB GLN 75 0.775 0.268 -13.354 527 HG2 GLN 75 2HG GLN 75 1.773 2.502 -13.531 528 HG3 GLN 75 1HG GLN 75 2.430 2.070 -15.108 529 HE21 GLN 75 1HE2 GLN 75 0.538 4.147 -14.370 530 HE22 GLN 75 2HE2 GLN 75 -0.873 3.873 -15.326 531 H ALA 76 H ALA 76 1.893 -0.856 -11.190 532 HA ALA 76 HA ALA 76 2.553 -3.669 -11.697 533 HB1 ALA 76 1HB ALA 76 2.242 -2.043 -9.173 534 HB2 ALA 76 2HB ALA 76 3.608 -3.069 -9.673 535 HB3 ALA 76 3HB ALA 76 2.103 -3.791 -9.164 536 HA PRO 77 HA PRO 77 -1.804 -4.737 -11.938 537 HB2 PRO 77 2HB PRO 77 -1.297 -6.694 -9.801 538 HB3 PRO 77 1HB PRO 77 -1.968 -6.934 -11.431 539 HG2 PRO 77 2HG PRO 77 0.462 -7.738 -10.853 540 HG3 PRO 77 1HG PRO 77 0.081 -7.003 -12.437 541 HD2 PRO 77 2HD PRO 77 1.506 -5.834 -10.103 542 HD3 PRO 77 1HD PRO 77 1.789 -5.610 -11.846 543 H ASP 78 H ASP 78 -3.736 -4.532 -10.861 544 HA ASP 78 HA ASP 78 -3.940 -2.515 -8.950 545 HB2 ASP 78 2HB ASP 78 -5.980 -4.589 -9.768 546 HB3 ASP 78 1HB ASP 78 -6.338 -3.217 -8.738 547 H TRP 79 H TRP 79 -3.632 -5.927 -8.521 548 HA TRP 79 HA TRP 79 -4.598 -5.970 -5.841 549 HB2 TRP 79 2HB TRP 79 -3.749 -8.309 -5.785 550 HB3 TRP 79 1HB TRP 79 -4.801 -7.976 -7.158 551 HD1 TRP 79 HD TRP 79 -3.872 -8.428 -9.459 552 HE1 TRP 79 1HE TRP 79 -1.683 -9.400 -10.392 553 HE3 TRP 79 3HE TRP 79 -1.034 -8.306 -5.197 554 HZ2 TRP 79 2HZ TRP 79 0.913 -9.979 -9.470 555 HZ3 TRP 79 3HZ TRP 79 1.290 -9.060 -5.325 556 HH2 TRP 79 HH TRP 79 2.246 -9.885 -7.411 557 H LEU 80 H LEU 80 -1.573 -5.042 -7.214 558 HA LEU 80 HA LEU 80 -0.150 -5.798 -4.851 559 HB2 LEU 80 2HB LEU 80 0.956 -5.791 -7.108 560 HB3 LEU 80 1HB LEU 80 0.755 -4.040 -7.142 561 HG LEU 80 HG LEU 80 2.204 -3.811 -5.216 562 HD11 LEU 80 1HD1 LEU 80 1.774 -5.928 -4.101 563 HD12 LEU 80 2HD1 LEU 80 3.505 -5.764 -4.434 564 HD13 LEU 80 3HD1 LEU 80 2.502 -6.794 -5.456 565 HD21 LEU 80 1HD2 LEU 80 3.448 -5.516 -7.362 566 HD22 LEU 80 2HD2 LEU 80 4.315 -4.451 -6.254 567 HD23 LEU 80 3HD2 LEU 80 3.211 -3.775 -7.451 568 H ALA 81 H ALA 81 -0.396 -4.719 -3.093 569 HA ALA 81 HA ALA 81 -1.207 -1.885 -3.265 570 HB1 ALA 81 1HB ALA 81 -2.022 -3.959 -1.251 571 HB2 ALA 81 2HB ALA 81 -3.042 -3.322 -2.549 572 HB3 ALA 81 3HB ALA 81 -2.492 -2.264 -1.242 573 H ALA 82 H ALA 82 -0.680 -0.621 -1.514 574 HA ALA 82 HA ALA 82 1.142 -1.566 0.488 575 HB1 ALA 82 1HB ALA 82 2.786 0.222 0.081 576 HB2 ALA 82 2HB ALA 82 1.901 0.704 -1.366 577 HB3 ALA 82 3HB ALA 82 2.689 -0.872 -1.300 578 H GLU 83 H GLU 83 0.728 -0.531 2.386 579 HA GLU 83 HA GLU 83 -0.602 1.998 2.368 580 HB2 GLU 83 2HB GLU 83 -2.267 1.029 4.059 581 HB3 GLU 83 1HB GLU 83 -2.525 0.531 2.389 582 HG2 GLU 83 2HG GLU 83 -1.468 -1.603 2.899 583 HG3 GLU 83 1HG GLU 83 -1.172 -1.053 4.548 584 HA PRO 84 HA PRO 84 2.333 2.234 5.869 585 HB2 PRO 84 2HB PRO 84 0.480 4.202 6.925 586 HB3 PRO 84 1HB PRO 84 2.156 4.453 6.372 587 HG2 PRO 84 2HG PRO 84 -0.014 5.454 5.206 588 HG3 PRO 84 1HG PRO 84 1.442 4.991 4.302 589 HD2 PRO 84 2HD PRO 84 -1.172 3.522 4.418 590 HD3 PRO 84 1HD PRO 84 0.088 3.715 3.184 591 H TYR 85 H TYR 85 2.574 1.411 7.557 592 HA TYR 85 HA TYR 85 0.443 -0.011 8.870 593 HB2 TYR 85 2HB TYR 85 2.180 -1.449 8.931 594 HB3 TYR 85 1HB TYR 85 3.353 -0.283 8.521 595 HD1 TYR 85 1HD TYR 85 1.475 -1.932 11.256 596 HD2 TYR 85 2HD TYR 85 4.856 0.444 10.266 597 HE1 TYR 85 1HE TYR 85 2.402 -2.320 13.495 598 HE2 TYR 85 2HE TYR 85 5.787 0.073 12.498 599 HH TYR 85 HH TYR 85 4.903 -0.455 14.722 Start of MODEL 6 1 H SER 7 1HT SER 7 -5.622 5.351 -7.560 2 HA SER 7 HA SER 7 -5.894 7.755 -7.794 3 HB2 SER 7 2HB SER 7 -7.948 6.481 -5.948 4 HB3 SER 7 1HB SER 7 -8.234 7.725 -7.166 5 HG SER 7 HG SER 7 -8.809 5.650 -7.898 6 H GLY 8 H GLY 8 -6.375 9.818 -6.567 7 HA2 GLY 8 2HA GLY 8 -5.832 9.619 -3.712 8 HA3 GLY 8 1HA GLY 8 -4.775 10.615 -4.699 9 H ARG 9 H ARG 9 -7.674 10.454 -2.997 10 HA ARG 9 HA ARG 9 -8.129 13.261 -3.627 11 HB2 ARG 9 2HB ARG 9 -10.364 11.250 -3.147 12 HB3 ARG 9 1HB ARG 9 -10.575 12.980 -3.225 13 HG2 ARG 9 2HG ARG 9 -11.362 12.162 -5.263 14 HG3 ARG 9 1HG ARG 9 -9.766 12.810 -5.620 15 HD2 ARG 9 2HD ARG 9 -10.113 10.673 -6.746 16 HD3 ARG 9 1HD ARG 9 -8.833 10.559 -5.546 17 HE ARG 9 HE ARG 9 -10.486 9.506 -4.071 18 HH11 ARG 9 1HH1 ARG 9 -11.293 9.545 -7.532 19 HH12 ARG 9 2HH1 ARG 9 -12.051 8.047 -7.521 20 HH21 ARG 9 1HH2 ARG 9 -11.547 7.415 -4.053 21 HH22 ARG 9 2HH2 ARG 9 -12.227 6.801 -5.476 22 H GLU 10 H GLU 10 -7.170 13.976 -1.814 23 HA GLU 10 HA GLU 10 -7.859 12.537 0.588 24 HB2 GLU 10 2HB GLU 10 -5.942 13.670 1.664 25 HB3 GLU 10 1HB GLU 10 -5.514 12.679 0.285 26 HG2 GLU 10 2HG GLU 10 -5.473 14.821 -1.063 27 HG3 GLU 10 1HG GLU 10 -5.562 15.669 0.481 28 H ASN 11 H ASN 11 -9.470 13.086 1.542 29 HA ASN 11 HA ASN 11 -10.447 15.847 1.667 30 HB2 ASN 11 2HB ASN 11 -11.728 13.285 2.681 31 HB3 ASN 11 1HB ASN 11 -12.520 14.823 2.426 32 HD21 ASN 11 1HD2 ASN 11 -13.195 15.364 0.317 33 HD22 ASN 11 2HD2 ASN 11 -13.194 14.201 -0.962 34 H LEU 12 H LEU 12 -11.474 16.133 4.060 35 HA LEU 12 HA LEU 12 -9.415 15.616 5.967 36 HB2 LEU 12 2HB LEU 12 -10.891 16.445 7.702 37 HB3 LEU 12 1HB LEU 12 -11.012 17.510 6.331 38 HG LEU 12 HG LEU 12 -13.083 15.433 7.077 39 HD11 LEU 12 1HD1 LEU 12 -12.905 17.138 8.794 40 HD12 LEU 12 2HD1 LEU 12 -14.398 17.340 7.877 41 HD13 LEU 12 3HD1 LEU 12 -13.025 18.403 7.570 42 HD21 LEU 12 1HD2 LEU 12 -13.189 17.735 5.120 43 HD22 LEU 12 2HD2 LEU 12 -14.549 16.711 5.574 44 HD23 LEU 12 3HD2 LEU 12 -13.179 16.017 4.710 45 H TYR 13 H TYR 13 -9.075 13.749 7.065 46 HA TYR 13 HA TYR 13 -10.928 11.668 6.236 47 HB2 TYR 13 2HB TYR 13 -8.281 11.599 5.997 48 HB3 TYR 13 1HB TYR 13 -8.391 10.960 7.639 49 HD1 TYR 13 1HD TYR 13 -9.670 8.856 8.060 50 HD2 TYR 13 2HD TYR 13 -8.967 10.305 4.128 51 HE1 TYR 13 1HE TYR 13 -10.316 6.673 7.143 52 HE2 TYR 13 2HE TYR 13 -9.602 8.120 3.198 53 HH TYR 13 HH TYR 13 -11.248 5.869 4.996 54 H PHE 14 H PHE 14 -12.212 10.645 7.561 55 HA PHE 14 HA PHE 14 -12.295 11.605 10.288 56 HB2 PHE 14 2HB PHE 14 -14.260 9.866 8.780 57 HB3 PHE 14 1HB PHE 14 -14.487 10.515 10.403 58 HD1 PHE 14 1HD PHE 14 -14.958 11.095 6.928 59 HD2 PHE 14 2HD PHE 14 -14.432 13.066 10.660 60 HE1 PHE 14 1HE PHE 14 -15.914 13.146 5.977 61 HE2 PHE 14 2HE PHE 14 -15.395 15.123 9.715 62 HZ PHE 14 HZ PHE 14 -16.140 15.164 7.369 63 H GLN 15 H GLN 15 -12.749 9.963 12.038 64 HA GLN 15 HA GLN 15 -10.583 8.137 11.742 65 HB2 GLN 15 2HB GLN 15 -12.071 8.946 14.210 66 HB3 GLN 15 1HB GLN 15 -10.802 7.727 14.200 67 HG2 GLN 15 2HG GLN 15 -9.269 9.409 13.207 68 HG3 GLN 15 1HG GLN 15 -10.543 10.607 13.391 69 HE21 GLN 15 1HE2 GLN 15 -9.266 11.852 14.741 70 HE22 GLN 15 2HE2 GLN 15 -8.922 11.387 16.374 71 H GLY 16 H GLY 16 -10.639 6.343 11.138 72 HA2 GLY 16 2HA GLY 16 -12.438 4.322 12.144 73 HA3 GLY 16 1HA GLY 16 -12.352 4.529 10.373 74 H HIS 17 H HIS 17 -11.240 2.134 11.238 75 HA HIS 17 HA HIS 17 -8.491 2.795 11.621 76 HB2 HIS 17 2HB HIS 17 -9.829 0.109 11.533 77 HB3 HIS 17 1HB HIS 17 -8.068 0.275 11.549 78 HD1 HIS 17 1HD HIS 17 -6.980 1.272 13.714 79 HD2 HIS 17 2HD HIS 17 -11.095 0.759 13.916 80 HE1 HIS 17 1HE HIS 17 -7.612 1.623 16.134 81 H MET 18 H MET 18 -7.546 3.631 10.161 82 HA MET 18 HA MET 18 -7.937 2.752 7.411 83 HB2 MET 18 2HB MET 18 -7.429 5.163 6.811 84 HB3 MET 18 1HB MET 18 -8.966 4.853 7.587 85 HG2 MET 18 2HG MET 18 -8.184 6.813 8.593 86 HG3 MET 18 1HG MET 18 -7.857 5.531 9.747 87 HE1 MET 18 1HE MET 18 -6.443 8.189 7.322 88 HE2 MET 18 2HE MET 18 -5.908 6.721 6.499 89 HE3 MET 18 3HE MET 18 -4.727 7.796 7.245 90 H ALA 19 H ALA 19 -6.064 3.840 6.065 91 HA ALA 19 HA ALA 19 -3.712 2.466 6.813 92 HB1 ALA 19 1HB ALA 19 -2.754 3.367 4.786 93 HB2 ALA 19 2HB ALA 19 -4.073 4.530 4.647 94 HB3 ALA 19 3HB ALA 19 -4.393 2.802 4.468 95 H ALA 20 H ALA 20 -2.979 3.261 8.742 96 HA ALA 20 HA ALA 20 -2.837 6.055 9.303 97 HB1 ALA 20 1HB ALA 20 -1.820 3.697 10.866 98 HB2 ALA 20 2HB ALA 20 -3.399 4.463 11.044 99 HB3 ALA 20 3HB ALA 20 -1.934 5.352 11.464 100 HA PRO 21 HA PRO 21 1.196 6.757 7.453 101 HB2 PRO 21 2HB PRO 21 1.004 9.100 9.289 102 HB3 PRO 21 1HB PRO 21 1.382 9.069 7.550 103 HG2 PRO 21 2HG PRO 21 -0.959 9.902 8.304 104 HG3 PRO 21 1HG PRO 21 -0.816 8.789 6.923 105 HD2 PRO 21 2HD PRO 21 -1.665 8.184 9.723 106 HD3 PRO 21 1HD PRO 21 -2.327 7.609 8.175 107 H ALA 22 H ALA 22 2.760 5.523 8.231 108 HA ALA 22 HA ALA 22 3.756 6.086 10.925 109 HB1 ALA 22 1HB ALA 22 2.277 4.148 11.011 110 HB2 ALA 22 2HB ALA 22 3.952 3.678 11.362 111 HB3 ALA 22 3HB ALA 22 3.247 3.361 9.776 112 H ARG 23 H ARG 23 4.548 6.585 8.181 113 HA ARG 23 HA ARG 23 6.432 6.827 6.926 114 HB2 ARG 23 2HB ARG 23 7.625 6.384 9.629 115 HB3 ARG 23 1HB ARG 23 8.636 6.679 8.220 116 HG2 ARG 23 2HG ARG 23 8.208 8.868 8.264 117 HG3 ARG 23 1HG ARG 23 6.475 8.601 8.442 118 HD2 ARG 23 2HD ARG 23 8.389 8.233 10.705 119 HD3 ARG 23 1HD ARG 23 7.679 9.807 10.342 120 HE ARG 23 HE ARG 23 5.497 8.608 10.566 121 HH11 ARG 23 1HH1 ARG 23 8.312 7.519 12.421 122 HH12 ARG 23 2HH1 ARG 23 7.408 7.010 13.765 123 HH21 ARG 23 1HH2 ARG 23 4.252 7.981 12.475 124 HH22 ARG 23 2HH2 ARG 23 5.058 7.267 13.789 125 H SER 24 H SER 24 5.340 4.027 7.157 126 HA SER 24 HA SER 24 7.521 2.845 5.624 127 HB2 SER 24 2HB SER 24 6.016 1.477 7.863 128 HB3 SER 24 1HB SER 24 7.084 0.661 6.726 129 HG SER 24 HG SER 24 8.407 1.020 8.291 130 H CYS 25 H CYS 25 6.687 1.641 3.883 131 HA CYS 25 HA CYS 25 3.772 1.693 3.597 132 HB2 CYS 25 2HB CYS 25 6.012 1.652 1.566 133 HB3 CYS 25 1HB CYS 25 4.326 1.311 1.153 134 H VAL 26 H VAL 26 2.815 -0.196 3.487 135 HA VAL 26 HA VAL 26 4.509 -2.584 3.595 136 HB VAL 26 HB VAL 26 1.666 -2.305 4.642 137 HG11 VAL 26 1HG1 VAL 26 2.569 -4.572 4.412 138 HG12 VAL 26 2HG1 VAL 26 2.315 -4.056 6.099 139 HG13 VAL 26 3HG1 VAL 26 3.940 -4.068 5.423 140 HG21 VAL 26 1HG2 VAL 26 2.609 -1.861 6.760 141 HG22 VAL 26 2HG2 VAL 26 2.927 -0.591 5.574 142 HG23 VAL 26 3HG2 VAL 26 4.213 -1.722 6.022 143 H TYR 27 H TYR 27 4.342 -3.819 1.912 144 HA TYR 27 HA TYR 27 2.227 -3.227 0.034 145 HB2 TYR 27 2HB TYR 27 4.862 -4.671 -0.346 146 HB3 TYR 27 1HB TYR 27 3.649 -4.492 -1.613 147 HD1 TYR 27 1HD TYR 27 3.679 -2.563 -2.979 148 HD2 TYR 27 2HD TYR 27 5.671 -2.470 0.767 149 HE1 TYR 27 1HE TYR 27 4.557 -0.295 -3.468 150 HE2 TYR 27 2HE TYR 27 6.529 -0.248 0.291 151 HH TYR 27 HH TYR 27 5.340 1.664 -2.282 152 H TYR 28 H TYR 28 0.680 -4.464 -0.348 153 HA TYR 28 HA TYR 28 0.613 -7.107 0.902 154 HB2 TYR 28 2HB TYR 28 -1.517 -4.983 0.747 155 HB3 TYR 28 1HB TYR 28 -1.814 -6.665 1.156 156 HD1 TYR 28 1HD TYR 28 -0.728 -7.557 3.258 157 HD2 TYR 28 2HD TYR 28 -0.951 -3.382 2.435 158 HE1 TYR 28 1HE TYR 28 -0.460 -7.077 5.645 159 HE2 TYR 28 2HE TYR 28 -0.670 -2.923 4.820 160 HH TYR 28 HH TYR 28 0.310 -5.149 7.091 161 H ASP 29 H ASP 29 -0.325 -8.627 -0.261 162 HA ASP 29 HA ASP 29 -1.141 -8.108 -3.016 163 HB2 ASP 29 2HB ASP 29 0.144 -10.139 -2.461 164 HB3 ASP 29 1HB ASP 29 -1.079 -10.580 -1.276 165 H GLY 30 H GLY 30 -3.127 -7.121 -3.031 166 HA2 GLY 30 2HA GLY 30 -5.321 -8.539 -1.853 167 HA3 GLY 30 1HA GLY 30 -4.981 -7.074 -0.981 168 H HIS 31 H HIS 31 -7.151 -8.062 -2.584 169 HA HIS 31 HA HIS 31 -7.325 -6.141 -4.773 170 HB2 HIS 31 2HB HIS 31 -9.320 -8.207 -3.776 171 HB3 HIS 31 1HB HIS 31 -9.471 -7.243 -5.253 172 HD1 HIS 31 1HD HIS 31 -8.130 -8.065 -7.320 173 HD2 HIS 31 2HD HIS 31 -7.512 -10.330 -3.892 174 HE1 HIS 31 1HE HIS 31 -6.889 -10.126 -8.054 175 H LEU 32 H LEU 32 -8.700 -6.997 -1.684 176 HA LEU 32 HA LEU 32 -9.725 -4.266 -1.333 177 HB2 LEU 32 2HB LEU 32 -10.795 -6.853 -0.171 178 HB3 LEU 32 1HB LEU 32 -11.319 -5.262 0.294 179 HG LEU 32 HG LEU 32 -12.982 -6.102 -0.976 180 HD11 LEU 32 1HD1 LEU 32 -11.383 -4.333 -2.794 181 HD12 LEU 32 2HD1 LEU 32 -12.566 -3.848 -1.579 182 HD13 LEU 32 3HD1 LEU 32 -13.085 -4.724 -3.020 183 HD21 LEU 32 1HD2 LEU 32 -12.773 -7.130 -3.202 184 HD22 LEU 32 2HD2 LEU 32 -11.916 -8.028 -1.947 185 HD23 LEU 32 3HD2 LEU 32 -11.019 -7.003 -3.066 186 HA PRO 33 HA PRO 33 -7.063 -4.136 2.255 187 HB2 PRO 33 2HB PRO 33 -8.938 -3.220 4.137 188 HB3 PRO 33 1HB PRO 33 -7.893 -2.202 3.133 189 HG2 PRO 33 2HG PRO 33 -10.734 -2.852 2.790 190 HG3 PRO 33 1HG PRO 33 -9.814 -1.425 2.291 191 HD2 PRO 33 2HD PRO 33 -10.625 -3.281 0.527 192 HD3 PRO 33 1HD PRO 33 -9.127 -2.339 0.331 193 H ALA 34 H ALA 34 -10.179 -5.784 2.455 194 HA ALA 34 HA ALA 34 -9.484 -7.225 4.835 195 HB1 ALA 34 1HB ALA 34 -11.806 -6.802 4.196 196 HB2 ALA 34 2HB ALA 34 -11.482 -8.521 4.424 197 HB3 ALA 34 3HB ALA 34 -11.606 -7.855 2.796 198 H THR 35 H THR 35 -8.638 -7.590 1.553 199 HA THR 35 HA THR 35 -8.171 -10.485 1.866 200 HB THR 35 HB THR 35 -7.889 -10.515 -0.605 201 HG1 THR 35 1HG THR 35 -7.822 -7.832 -0.184 202 HG21 THR 35 1HG2 THR 35 -10.118 -10.905 0.338 203 HG22 THR 35 2HG2 THR 35 -10.229 -10.035 -1.193 204 HG23 THR 35 3HG2 THR 35 -10.428 -9.169 0.329 205 H ARG 36 H ARG 36 -6.523 -7.852 2.540 206 HA ARG 36 HA ARG 36 -4.176 -7.919 1.001 207 HB2 ARG 36 2HB ARG 36 -3.188 -6.498 2.738 208 HB3 ARG 36 1HB ARG 36 -4.793 -5.953 2.277 209 HG2 ARG 36 2HG ARG 36 -5.721 -6.916 4.299 210 HG3 ARG 36 1HG ARG 36 -4.139 -7.549 4.744 211 HD2 ARG 36 2HD ARG 36 -3.266 -5.300 4.960 212 HD3 ARG 36 1HD ARG 36 -4.793 -4.628 4.382 213 HE ARG 36 HE ARG 36 -5.494 -6.145 6.486 214 HH11 ARG 36 1HH1 ARG 36 -3.235 -3.422 6.116 215 HH12 ARG 36 2HH1 ARG 36 -3.414 -2.860 7.687 216 HH21 ARG 36 1HH2 ARG 36 -5.789 -5.289 8.695 217 HH22 ARG 36 2HH2 ARG 36 -4.947 -3.892 9.153 218 H VAL 37 H VAL 37 -2.551 -9.276 0.950 219 HA VAL 37 HA VAL 37 -1.934 -10.914 3.325 220 HB VAL 37 HB VAL 37 -1.145 -11.439 0.445 221 HG11 VAL 37 1HG1 VAL 37 -0.534 -13.664 1.229 222 HG12 VAL 37 2HG1 VAL 37 -0.930 -13.182 2.882 223 HG13 VAL 37 3HG1 VAL 37 0.392 -12.392 2.028 224 HG21 VAL 37 1HG2 VAL 37 -3.354 -12.746 2.028 225 HG22 VAL 37 2HG2 VAL 37 -2.791 -13.255 0.436 226 HG23 VAL 37 3HG2 VAL 37 -3.554 -11.680 0.636 227 H LEU 38 H LEU 38 -0.112 -10.293 4.300 228 HA LEU 38 HA LEU 38 1.480 -8.181 3.453 229 HB2 LEU 38 2HB LEU 38 1.373 -8.721 5.765 230 HB3 LEU 38 1HB LEU 38 2.062 -10.314 5.473 231 HG LEU 38 HG LEU 38 4.145 -9.224 4.697 232 HD11 LEU 38 1HD1 LEU 38 2.867 -6.721 5.741 233 HD12 LEU 38 2HD1 LEU 38 3.309 -7.064 4.067 234 HD13 LEU 38 3HD1 LEU 38 4.562 -6.901 5.295 235 HD21 LEU 38 1HD2 LEU 38 3.301 -8.524 7.473 236 HD22 LEU 38 2HD2 LEU 38 4.962 -8.684 6.858 237 HD23 LEU 38 3HD2 LEU 38 3.902 -10.103 6.930 238 H LEU 39 H LEU 39 2.799 -8.060 1.887 239 HA LEU 39 HA LEU 39 4.358 -10.357 1.035 240 HB2 LEU 39 2HB LEU 39 4.118 -7.590 -0.141 241 HB3 LEU 39 1HB LEU 39 4.994 -8.931 -0.859 242 HG LEU 39 HG LEU 39 2.017 -8.846 -0.384 243 HD11 LEU 39 1HD1 LEU 39 2.686 -7.351 -2.169 244 HD12 LEU 39 2HD1 LEU 39 1.836 -8.761 -2.802 245 HD13 LEU 39 3HD1 LEU 39 3.592 -8.658 -2.941 246 HD21 LEU 39 1HD2 LEU 39 2.867 -11.077 -0.178 247 HD22 LEU 39 2HD2 LEU 39 3.777 -10.898 -1.676 248 HD23 LEU 39 3HD2 LEU 39 2.005 -10.915 -1.715 249 H MET 40 H MET 40 4.857 -7.023 2.081 250 HA MET 40 HA MET 40 7.447 -7.543 3.273 251 HB2 MET 40 2HB MET 40 7.997 -7.613 0.877 252 HB3 MET 40 1HB MET 40 7.210 -6.049 0.675 253 HG2 MET 40 2HG MET 40 9.526 -5.609 0.671 254 HG3 MET 40 1HG MET 40 8.877 -5.119 2.237 255 HE1 MET 40 1HE MET 40 11.011 -7.756 0.282 256 HE2 MET 40 2HE MET 40 9.730 -8.761 0.961 257 HE3 MET 40 3HE MET 40 11.384 -8.930 1.540 258 H TYR 41 H TYR 41 8.120 -5.822 4.510 259 HA TYR 41 HA TYR 41 6.474 -3.389 4.618 260 HB2 TYR 41 2HB TYR 41 8.519 -4.553 6.523 261 HB3 TYR 41 1HB TYR 41 7.861 -2.940 6.693 262 HD1 TYR 41 1HD TYR 41 7.201 -6.527 7.048 263 HD2 TYR 41 2HD TYR 41 5.609 -2.618 7.510 264 HE1 TYR 41 1HE TYR 41 5.405 -7.426 8.446 265 HE2 TYR 41 2HE TYR 41 3.794 -3.527 8.909 266 HH TYR 41 HH TYR 41 3.887 -6.635 10.167 267 H VAL 42 H VAL 42 7.303 -1.577 3.687 268 HA VAL 42 HA VAL 42 10.174 -1.470 3.089 269 HB VAL 42 HB VAL 42 7.907 -0.175 1.612 270 HG11 VAL 42 1HG1 VAL 42 9.611 0.351 -0.085 271 HG12 VAL 42 2HG1 VAL 42 10.851 -0.356 0.949 272 HG13 VAL 42 3HG1 VAL 42 9.995 1.097 1.468 273 HG21 VAL 42 1HG2 VAL 42 8.431 -1.799 -0.171 274 HG22 VAL 42 2HG2 VAL 42 7.856 -2.559 1.314 275 HG23 VAL 42 3HG2 VAL 42 9.576 -2.584 0.928 276 H ARG 43 H ARG 43 11.168 0.395 3.825 277 HA ARG 43 HA ARG 43 9.631 2.137 5.560 278 HB2 ARG 43 2HB ARG 43 11.885 1.192 6.175 279 HB3 ARG 43 1HB ARG 43 12.573 2.130 4.863 280 HG2 ARG 43 2HG ARG 43 12.977 3.260 6.940 281 HG3 ARG 43 1HG ARG 43 11.806 4.192 6.004 282 HD2 ARG 43 2HD ARG 43 9.981 3.209 7.306 283 HD3 ARG 43 1HD ARG 43 11.150 2.273 8.236 284 HE ARG 43 HE ARG 43 11.914 4.881 8.452 285 HH11 ARG 43 1HH1 ARG 43 8.944 3.089 9.193 286 HH12 ARG 43 2HH1 ARG 43 8.579 3.957 10.596 287 HH21 ARG 43 1HH2 ARG 43 11.376 6.161 10.307 288 HH22 ARG 43 2HH2 ARG 43 10.021 5.826 11.258 289 H ILE 44 H ILE 44 9.242 4.256 5.034 290 HA ILE 44 HA ILE 44 9.116 5.047 2.322 291 HB ILE 44 HB ILE 44 9.404 7.047 4.559 292 HG12 ILE 44 2HG1 ILE 44 7.720 5.460 5.050 293 HG13 ILE 44 1HG1 ILE 44 7.017 7.076 4.868 294 HG21 ILE 44 1HG2 ILE 44 8.060 8.531 3.104 295 HG22 ILE 44 2HG2 ILE 44 8.030 7.271 1.874 296 HG23 ILE 44 3HG2 ILE 44 9.558 8.022 2.322 297 HD11 ILE 44 1HD1 ILE 44 5.551 5.411 4.029 298 HD12 ILE 44 2HD1 ILE 44 6.808 4.655 3.075 299 HD13 ILE 44 3HD1 ILE 44 6.192 6.260 2.629 300 H GLY 45 H GLY 45 10.509 5.716 1.002 301 HA2 GLY 45 2HA GLY 45 12.183 7.330 0.322 302 HA3 GLY 45 1HA GLY 45 12.939 7.126 1.902 303 H ASN 46 H ASN 46 12.198 4.182 1.391 304 HA ASN 46 HA ASN 46 14.760 3.488 0.124 305 HB2 ASN 46 2HB ASN 46 14.488 2.916 2.416 306 HB3 ASN 46 1HB ASN 46 12.975 2.082 1.995 307 HD21 ASN 46 1HD2 ASN 46 13.711 0.061 2.778 308 HD22 ASN 46 2HD2 ASN 46 14.991 -0.833 2.063 309 H THR 47 H THR 47 14.768 1.557 -1.008 310 HA THR 47 HA THR 47 12.330 1.037 -2.572 311 HB THR 47 HB THR 47 13.889 0.094 -4.195 312 HG1 THR 47 1HG THR 47 15.945 0.029 -3.689 313 HG21 THR 47 1HG2 THR 47 12.968 2.301 -4.588 314 HG22 THR 47 2HG2 THR 47 14.652 2.308 -5.108 315 HG23 THR 47 3HG2 THR 47 14.200 3.039 -3.565 316 H ALA 48 H ALA 48 11.932 -1.082 -3.106 317 HA ALA 48 HA ALA 48 13.412 -3.178 -1.710 318 HB1 ALA 48 1HB ALA 48 11.941 -2.335 0.062 319 HB2 ALA 48 2HB ALA 48 11.673 -4.036 -0.321 320 HB3 ALA 48 3HB ALA 48 10.551 -2.813 -0.915 321 H THR 49 H THR 49 13.493 -4.973 -2.710 322 HA THR 49 HA THR 49 12.090 -5.736 -5.014 323 HB THR 49 HB THR 49 13.483 -7.579 -3.081 324 HG1 THR 49 1HG THR 49 14.660 -5.619 -4.793 325 HG21 THR 49 1HG2 THR 49 12.594 -8.508 -5.178 326 HG22 THR 49 2HG2 THR 49 14.358 -8.566 -5.156 327 HG23 THR 49 3HG2 THR 49 13.531 -7.328 -6.097 328 H ILE 50 H ILE 50 9.890 -6.108 -4.820 329 HA ILE 50 HA ILE 50 8.914 -7.753 -2.551 330 HB ILE 50 HB ILE 50 7.295 -6.624 -4.834 331 HG12 ILE 50 2HG1 ILE 50 8.384 -4.712 -3.809 332 HG13 ILE 50 1HG1 ILE 50 6.658 -4.709 -3.422 333 HG21 ILE 50 1HG2 ILE 50 6.183 -8.335 -3.572 334 HG22 ILE 50 2HG2 ILE 50 5.405 -6.780 -3.272 335 HG23 ILE 50 3HG2 ILE 50 6.489 -7.472 -2.065 336 HD11 ILE 50 1HD1 ILE 50 7.164 -5.604 -1.255 337 HD12 ILE 50 2HD1 ILE 50 8.011 -4.063 -1.535 338 HD13 ILE 50 3HD1 ILE 50 8.886 -5.605 -1.646 339 H THR 51 H THR 51 9.297 -9.908 -3.053 340 HA THR 51 HA THR 51 8.707 -10.719 -5.794 341 HB THR 51 HB THR 51 9.525 -12.383 -3.410 342 HG1 THR 51 1HG THR 51 11.239 -11.876 -5.573 343 HG21 THR 51 1HG2 THR 51 9.469 -13.101 -6.347 344 HG22 THR 51 2HG2 THR 51 8.383 -13.729 -5.109 345 HG23 THR 51 3HG2 THR 51 10.099 -14.132 -5.062 346 H ALA 52 H ALA 52 6.724 -11.227 -6.339 347 HA ALA 52 HA ALA 52 5.021 -12.765 -4.579 348 HB1 ALA 52 1HB ALA 52 4.376 -10.473 -4.035 349 HB2 ALA 52 2HB ALA 52 3.086 -11.260 -4.947 350 HB3 ALA 52 3HB ALA 52 4.159 -10.107 -5.743 351 H ARG 53 H ARG 53 4.186 -14.321 -5.753 352 HA ARG 53 HA ARG 53 3.435 -15.618 -7.416 353 HB2 ARG 53 2HB ARG 53 3.008 -13.041 -8.938 354 HB3 ARG 53 1HB ARG 53 2.395 -14.623 -9.423 355 HG2 ARG 53 2HG ARG 53 1.021 -14.667 -7.374 356 HG3 ARG 53 1HG ARG 53 1.608 -13.031 -6.998 357 HD2 ARG 53 2HD ARG 53 0.740 -12.245 -9.148 358 HD3 ARG 53 1HD ARG 53 0.136 -13.857 -9.492 359 HE ARG 53 HE ARG 53 -0.855 -12.536 -7.100 360 HH11 ARG 53 1HH1 ARG 53 -1.483 -13.725 -10.373 361 HH12 ARG 53 2HH1 ARG 53 -3.092 -13.203 -10.419 362 HH21 ARG 53 1HH2 ARG 53 -3.122 -11.819 -7.143 363 HH22 ARG 53 2HH2 ARG 53 -4.041 -12.091 -8.549 364 H GLY 54 H GLY 54 6.125 -14.704 -7.193 365 HA2 GLY 54 2HA GLY 54 8.125 -15.394 -8.212 366 HA3 GLY 54 1HA GLY 54 7.181 -15.855 -9.637 367 H HIS 55 H HIS 55 6.505 -12.717 -8.553 368 HA HIS 55 HA HIS 55 8.309 -11.644 -10.597 369 HB2 HIS 55 2HB HIS 55 5.645 -10.579 -9.636 370 HB3 HIS 55 1HB HIS 55 6.718 -9.750 -10.767 371 HD1 HIS 55 1HD HIS 55 6.222 -10.182 -13.171 372 HD2 HIS 55 2HD HIS 55 4.674 -13.125 -10.692 373 HE1 HIS 55 1HE HIS 55 4.823 -11.678 -14.645 374 H GLU 56 H GLU 56 9.918 -10.399 -9.773 375 HA GLU 56 HA GLU 56 9.758 -9.275 -7.160 376 HB2 GLU 56 2HB GLU 56 11.745 -9.162 -9.410 377 HB3 GLU 56 1HB GLU 56 11.899 -8.118 -8.010 378 HG2 GLU 56 2HG GLU 56 13.329 -9.992 -7.664 379 HG3 GLU 56 1HG GLU 56 11.896 -10.087 -6.630 380 H PHE 57 H PHE 57 8.599 -7.413 -6.884 381 HA PHE 57 HA PHE 57 8.593 -5.454 -9.052 382 HB2 PHE 57 2HB PHE 57 6.928 -5.586 -6.508 383 HB3 PHE 57 1HB PHE 57 6.742 -4.441 -7.836 384 HD1 PHE 57 1HD PHE 57 5.860 -5.255 -10.023 385 HD2 PHE 57 2HD PHE 57 5.888 -7.688 -6.530 386 HE1 PHE 57 1HE PHE 57 4.165 -6.726 -11.034 387 HE2 PHE 57 2HE PHE 57 4.201 -9.161 -7.543 388 HZ PHE 57 HZ PHE 57 3.333 -8.682 -9.777 389 H GLU 58 H GLU 58 10.525 -4.418 -8.712 390 HA GLU 58 HA GLU 58 11.414 -3.910 -6.011 391 HB2 GLU 58 2HB GLU 58 12.934 -4.317 -8.002 392 HB3 GLU 58 1HB GLU 58 12.439 -2.736 -8.618 393 HG2 GLU 58 2HG GLU 58 14.530 -2.361 -7.581 394 HG3 GLU 58 1HG GLU 58 13.309 -1.829 -6.422 395 H VAL 59 H VAL 59 10.324 -2.460 -4.944 396 HA VAL 59 HA VAL 59 8.895 -0.316 -6.376 397 HB VAL 59 HB VAL 59 7.546 -0.014 -4.417 398 HG11 VAL 59 1HG1 VAL 59 7.805 -2.946 -5.045 399 HG12 VAL 59 2HG1 VAL 59 6.758 -1.787 -5.869 400 HG13 VAL 59 3HG1 VAL 59 6.460 -2.206 -4.186 401 HG21 VAL 59 1HG2 VAL 59 7.840 -1.362 -2.444 402 HG22 VAL 59 2HG2 VAL 59 9.254 -0.330 -2.839 403 HG23 VAL 59 3HG2 VAL 59 9.302 -2.070 -3.197 404 H GLU 60 H GLU 60 8.738 1.732 -5.407 405 HA GLU 60 HA GLU 60 11.081 2.503 -3.878 406 HB2 GLU 60 2HB GLU 60 11.521 3.001 -6.234 407 HB3 GLU 60 1HB GLU 60 9.975 3.845 -6.362 408 HG2 GLU 60 2HG GLU 60 10.767 5.611 -4.977 409 HG3 GLU 60 1HG GLU 60 12.228 4.709 -4.569 410 H ALA 61 H ALA 61 10.117 2.887 -2.048 411 HA ALA 61 HA ALA 61 7.443 3.943 -1.932 412 HB1 ALA 61 1HB ALA 61 8.219 2.353 -0.222 413 HB2 ALA 61 2HB ALA 61 7.690 3.874 0.502 414 HB3 ALA 61 3HB ALA 61 9.410 3.532 0.329 415 H LYS 62 H LYS 62 7.544 5.784 -2.940 416 HA LYS 62 HA LYS 62 9.310 7.944 -2.598 417 HB2 LYS 62 2HB LYS 62 6.475 7.856 -3.566 418 HB3 LYS 62 1HB LYS 62 7.453 9.318 -3.615 419 HG2 LYS 62 2HG LYS 62 7.968 6.715 -5.004 420 HG3 LYS 62 1HG LYS 62 7.258 8.192 -5.691 421 HD2 LYS 62 2HD LYS 62 9.366 9.379 -5.120 422 HD3 LYS 62 1HD LYS 62 10.056 7.836 -4.607 423 HE2 LYS 62 2HE LYS 62 10.798 8.119 -6.830 424 HE3 LYS 62 1HE LYS 62 9.443 6.971 -6.823 425 HZ1 LYS 62 1HZ LYS 62 9.146 9.835 -7.496 426 HZ2 LYS 62 2HZ LYS 62 7.974 8.649 -7.661 427 HZ3 LYS 62 3HZ LYS 62 9.352 8.622 -8.644 428 H ASP 63 H ASP 63 6.007 7.645 -1.416 429 HA ASP 63 HA ASP 63 6.689 9.457 0.818 430 HB2 ASP 63 2HB ASP 63 5.597 10.652 -1.237 431 HB3 ASP 63 1HB ASP 63 4.114 9.877 -0.699 432 H GLN 64 H GLN 64 4.766 9.566 2.329 433 HA GLN 64 HA GLN 64 4.257 6.876 3.183 434 HB2 GLN 64 2HB GLN 64 3.363 7.924 5.217 435 HB3 GLN 64 1HB GLN 64 4.973 8.496 4.811 436 HG2 GLN 64 2HG GLN 64 3.962 10.524 3.828 437 HG3 GLN 64 1HG GLN 64 2.378 9.952 4.341 438 HE21 GLN 64 1HE2 GLN 64 5.404 11.291 5.346 439 HE22 GLN 64 2HE2 GLN 64 4.923 11.671 6.959 440 H ASN 65 H ASN 65 2.652 8.617 1.007 441 HA ASN 65 HA ASN 65 -0.029 7.983 1.853 442 HB2 ASN 65 2HB ASN 65 0.962 8.725 -0.914 443 HB3 ASN 65 1HB ASN 65 -0.725 8.666 -0.381 444 HD21 ASN 65 1HD2 ASN 65 -1.443 10.312 1.144 445 HD22 ASN 65 2HD2 ASN 65 -0.587 11.788 1.211 446 H CYS 66 H CYS 66 2.586 6.461 0.453 447 HA CYS 66 HA CYS 66 3.068 4.499 -0.276 448 HB2 CYS 66 2HB CYS 66 0.732 3.734 1.419 449 HB3 CYS 66 1HB CYS 66 1.889 2.575 0.737 450 H LYS 67 H LYS 67 2.144 5.670 -2.380 451 HA LYS 67 HA LYS 67 0.315 3.977 -3.730 452 HB2 LYS 67 2HB LYS 67 2.129 6.135 -4.425 453 HB3 LYS 67 1HB LYS 67 1.623 5.090 -5.788 454 HG2 LYS 67 2HG LYS 67 0.379 7.093 -5.636 455 HG3 LYS 67 1HG LYS 67 -0.668 5.773 -5.115 456 HD2 LYS 67 2HD LYS 67 -0.280 6.201 -2.881 457 HD3 LYS 67 1HD LYS 67 0.950 7.412 -3.196 458 HE2 LYS 67 2HE LYS 67 -1.068 8.618 -2.678 459 HE3 LYS 67 1HE LYS 67 -0.568 8.681 -4.386 460 HZ1 LYS 67 1HZ LYS 67 -2.340 7.128 -4.958 461 HZ2 LYS 67 2HZ LYS 67 -3.015 8.404 -4.114 462 HZ3 LYS 67 3HZ LYS 67 -2.753 6.938 -3.328 463 H VAL 68 H VAL 68 0.904 2.670 -5.408 464 HA VAL 68 HA VAL 68 3.411 1.318 -4.805 465 HB VAL 68 HB VAL 68 1.588 -0.279 -4.955 466 HG11 VAL 68 1HG1 VAL 68 0.460 -0.817 -7.054 467 HG12 VAL 68 2HG1 VAL 68 1.254 0.553 -7.829 468 HG13 VAL 68 3HG1 VAL 68 0.101 0.824 -6.522 469 HG21 VAL 68 1HG2 VAL 68 2.595 -1.867 -6.509 470 HG22 VAL 68 2HG2 VAL 68 3.822 -1.024 -5.562 471 HG23 VAL 68 3HG2 VAL 68 3.529 -0.567 -7.234 472 H ILE 69 H ILE 69 5.004 2.268 -5.571 473 HA ILE 69 HA ILE 69 4.991 3.061 -8.393 474 HB ILE 69 HB ILE 69 6.369 4.406 -6.032 475 HG12 ILE 69 2HG1 ILE 69 4.239 5.486 -7.861 476 HG13 ILE 69 1HG1 ILE 69 3.907 4.689 -6.329 477 HG21 ILE 69 1HG2 ILE 69 6.373 5.167 -8.963 478 HG22 ILE 69 2HG2 ILE 69 7.734 4.484 -8.074 479 HG23 ILE 69 3HG2 ILE 69 7.123 6.084 -7.655 480 HD11 ILE 69 1HD1 ILE 69 3.849 7.125 -6.102 481 HD12 ILE 69 2HD1 ILE 69 5.488 7.229 -6.742 482 HD13 ILE 69 3HD1 ILE 69 5.198 6.458 -5.184 483 H LEU 70 H LEU 70 6.392 1.857 -9.452 484 HA LEU 70 HA LEU 70 8.197 0.328 -7.877 485 HB2 LEU 70 2HB LEU 70 7.770 0.258 -10.845 486 HB3 LEU 70 1HB LEU 70 8.844 -0.791 -9.954 487 HG LEU 70 HG LEU 70 6.961 -2.102 -10.377 488 HD11 LEU 70 1HD1 LEU 70 5.931 -2.552 -8.264 489 HD12 LEU 70 2HD1 LEU 70 6.559 -1.027 -7.649 490 HD13 LEU 70 3HD1 LEU 70 7.679 -2.312 -8.104 491 HD21 LEU 70 1HD2 LEU 70 5.587 -0.208 -11.103 492 HD22 LEU 70 2HD2 LEU 70 5.200 0.101 -9.402 493 HD23 LEU 70 3HD2 LEU 70 4.730 -1.433 -10.177 494 H THR 71 H THR 71 10.336 0.160 -8.463 495 HA THR 71 HA THR 71 11.759 2.599 -8.451 496 HB THR 71 HB THR 71 13.770 1.228 -9.099 497 HG1 THR 71 1HG THR 71 13.457 -0.925 -9.515 498 HG21 THR 71 1HG2 THR 71 11.976 0.178 -6.954 499 HG22 THR 71 2HG2 THR 71 12.986 1.623 -6.833 500 HG23 THR 71 3HG2 THR 71 13.744 0.018 -7.015 501 H ASN 72 H ASN 72 10.816 0.588 -11.112 502 HA ASN 72 HA ASN 72 12.441 2.071 -12.964 503 HB2 ASN 72 2HB ASN 72 11.657 0.437 -14.642 504 HB3 ASN 72 1HB ASN 72 12.297 -0.328 -13.182 505 HD21 ASN 72 1HD2 ASN 72 10.730 -1.605 -15.061 506 HD22 ASN 72 2HD2 ASN 72 9.236 -2.050 -14.341 507 H GLY 73 H GLY 73 9.548 2.321 -11.558 508 HA2 GLY 73 2HA GLY 73 8.308 4.317 -11.533 509 HA3 GLY 73 1HA GLY 73 9.016 4.739 -13.101 510 H LYS 74 H LYS 74 7.852 1.630 -12.752 511 HA LYS 74 HA LYS 74 5.796 2.158 -14.731 512 HB2 LYS 74 2HB LYS 74 6.871 -0.376 -13.569 513 HB3 LYS 74 1HB LYS 74 5.768 -0.247 -14.940 514 HG2 LYS 74 2HG LYS 74 8.372 1.153 -14.879 515 HG3 LYS 74 1HG LYS 74 8.319 -0.506 -15.396 516 HD2 LYS 74 2HD LYS 74 6.593 0.281 -17.113 517 HD3 LYS 74 1HD LYS 74 6.974 1.926 -16.596 518 HE2 LYS 74 2HE LYS 74 9.293 1.624 -17.214 519 HE3 LYS 74 1HE LYS 74 8.985 -0.052 -17.653 520 HZ1 LYS 74 1HZ LYS 74 7.457 0.770 -19.384 521 HZ2 LYS 74 2HZ LYS 74 9.032 1.276 -19.621 522 HZ3 LYS 74 3HZ LYS 74 7.886 2.355 -18.994 523 H GLN 75 H GLN 75 3.988 0.684 -14.636 524 HA GLN 75 HA GLN 75 2.456 1.110 -12.197 525 HB2 GLN 75 2HB GLN 75 1.565 -0.037 -14.838 526 HB3 GLN 75 1HB GLN 75 0.526 0.354 -13.482 527 HG2 GLN 75 2HG GLN 75 1.162 2.714 -13.727 528 HG3 GLN 75 1HG GLN 75 2.094 2.284 -15.169 529 HE21 GLN 75 1HE2 GLN 75 -1.047 2.658 -13.806 530 HE22 GLN 75 2HE2 GLN 75 -1.932 2.501 -15.278 531 H ALA 76 H ALA 76 1.676 -0.441 -11.011 532 HA ALA 76 HA ALA 76 2.648 -3.188 -11.438 533 HB1 ALA 76 1HB ALA 76 1.975 -1.641 -8.914 534 HB2 ALA 76 2HB ALA 76 3.497 -2.469 -9.307 535 HB3 ALA 76 3HB ALA 76 2.066 -3.381 -8.955 536 HA PRO 77 HA PRO 77 -1.538 -4.824 -11.825 537 HB2 PRO 77 2HB PRO 77 -1.491 -6.609 -9.704 538 HB3 PRO 77 1HB PRO 77 -0.946 -6.968 -11.356 539 HG2 PRO 77 2HG PRO 77 0.645 -6.238 -8.969 540 HG3 PRO 77 1HG PRO 77 1.016 -7.383 -10.282 541 HD2 PRO 77 2HD PRO 77 2.188 -5.029 -10.224 542 HD3 PRO 77 1HD PRO 77 1.600 -5.714 -11.759 543 H ASP 78 H ASP 78 -3.509 -4.731 -10.897 544 HA ASP 78 HA ASP 78 -4.017 -2.615 -9.132 545 HB2 ASP 78 2HB ASP 78 -5.593 -3.302 -10.852 546 HB3 ASP 78 1HB ASP 78 -5.829 -4.848 -10.050 547 H TRP 79 H TRP 79 -3.535 -5.989 -8.561 548 HA TRP 79 HA TRP 79 -4.721 -5.975 -5.953 549 HB2 TRP 79 2HB TRP 79 -3.849 -8.290 -5.784 550 HB3 TRP 79 1HB TRP 79 -4.806 -8.012 -7.237 551 HD1 TRP 79 HD TRP 79 -3.692 -8.474 -9.453 552 HE1 TRP 79 1HE TRP 79 -1.400 -9.470 -10.197 553 HE3 TRP 79 3HE TRP 79 -1.231 -8.262 -5.013 554 HZ2 TRP 79 2HZ TRP 79 1.084 -10.039 -9.043 555 HZ3 TRP 79 3HZ TRP 79 1.104 -9.038 -4.904 556 HH2 TRP 79 HH TRP 79 2.232 -9.909 -6.882 557 H LEU 80 H LEU 80 -1.747 -4.842 -7.100 558 HA LEU 80 HA LEU 80 -0.327 -5.648 -4.747 559 HB2 LEU 80 2HB LEU 80 0.732 -5.553 -7.009 560 HB3 LEU 80 1HB LEU 80 0.563 -3.795 -6.965 561 HG LEU 80 HG LEU 80 2.058 -3.692 -5.063 562 HD11 LEU 80 1HD1 LEU 80 1.569 -5.849 -4.043 563 HD12 LEU 80 2HD1 LEU 80 3.306 -5.735 -4.409 564 HD13 LEU 80 3HD1 LEU 80 2.235 -6.664 -5.463 565 HD21 LEU 80 1HD2 LEU 80 3.191 -5.347 -7.318 566 HD22 LEU 80 2HD2 LEU 80 4.136 -4.430 -6.150 567 HD23 LEU 80 3HD2 LEU 80 3.091 -3.587 -7.286 568 H ALA 81 H ALA 81 -1.064 -4.729 -3.033 569 HA ALA 81 HA ALA 81 -1.857 -1.892 -3.035 570 HB1 ALA 81 1HB ALA 81 -3.506 -3.490 -2.139 571 HB2 ALA 81 2HB ALA 81 -2.906 -2.369 -0.908 572 HB3 ALA 81 3HB ALA 81 -2.301 -4.019 -0.953 573 H ALA 82 H ALA 82 -1.349 -0.684 -1.216 574 HA ALA 82 HA ALA 82 0.879 -1.378 0.442 575 HB1 ALA 82 1HB ALA 82 2.268 0.541 -0.223 576 HB2 ALA 82 2HB ALA 82 1.129 0.921 -1.514 577 HB3 ALA 82 3HB ALA 82 2.055 -0.579 -1.566 578 H GLU 83 H GLU 83 0.636 -0.380 2.361 579 HA GLU 83 HA GLU 83 -0.790 2.146 2.542 580 HB2 GLU 83 2HB GLU 83 -2.187 1.245 4.415 581 HB3 GLU 83 1HB GLU 83 -2.518 0.380 2.918 582 HG2 GLU 83 2HG GLU 83 -1.254 -1.448 3.670 583 HG3 GLU 83 1HG GLU 83 -0.670 -0.558 5.080 584 HA PRO 84 HA PRO 84 2.564 2.457 5.490 585 HB2 PRO 84 2HB PRO 84 1.755 4.500 7.076 586 HB3 PRO 84 1HB PRO 84 2.263 4.747 5.438 587 HG2 PRO 84 2HG PRO 84 -0.554 4.412 6.357 588 HG3 PRO 84 1HG PRO 84 0.150 5.705 5.348 589 HD2 PRO 84 2HD PRO 84 -1.060 3.715 4.085 590 HD3 PRO 84 1HD PRO 84 0.528 4.322 3.579 591 H TYR 85 H TYR 85 3.079 1.330 7.158 592 HA TYR 85 HA TYR 85 1.401 -0.618 8.018 593 HB2 TYR 85 2HB TYR 85 3.256 -1.656 8.819 594 HB3 TYR 85 1HB TYR 85 3.946 -0.426 7.868 595 HD1 TYR 85 1HD TYR 85 4.636 1.818 9.169 596 HD2 TYR 85 2HD TYR 85 4.116 -1.998 10.941 597 HE1 TYR 85 1HE TYR 85 6.151 2.463 10.996 598 HE2 TYR 85 2HE TYR 85 5.599 -1.359 12.781 599 HH TYR 85 HH TYR 85 7.496 0.245 13.048 Start of MODEL 7 1 H SER 7 1HT SER 7 7.048 -16.583 28.757 2 HA SER 7 HA SER 7 5.221 -15.614 27.435 3 HB2 SER 7 2HB SER 7 6.921 -17.353 26.510 4 HB3 SER 7 1HB SER 7 5.630 -18.529 26.700 5 HG SER 7 HG SER 7 6.052 -16.817 24.724 6 H GLY 8 H GLY 8 3.052 -15.383 27.466 7 HA2 GLY 8 2HA GLY 8 1.436 -17.684 28.264 8 HA3 GLY 8 1HA GLY 8 1.296 -16.184 29.177 9 H ARG 9 H ARG 9 -0.984 -16.810 28.223 10 HA ARG 9 HA ARG 9 -1.256 -15.774 25.529 11 HB2 ARG 9 2HB ARG 9 -3.288 -16.985 27.377 12 HB3 ARG 9 1HB ARG 9 -3.666 -16.368 25.787 13 HG2 ARG 9 2HG ARG 9 -1.824 -18.672 26.393 14 HG3 ARG 9 1HG ARG 9 -3.462 -18.782 25.734 15 HD2 ARG 9 2HD ARG 9 -2.652 -17.338 23.830 16 HD3 ARG 9 1HD ARG 9 -1.032 -17.570 24.479 17 HE ARG 9 HE ARG 9 -2.254 -20.059 24.097 18 HH11 ARG 9 1HH1 ARG 9 -0.646 -17.439 22.356 19 HH12 ARG 9 2HH1 ARG 9 -0.439 -18.355 20.929 20 HH21 ARG 9 1HH2 ARG 9 -1.952 -21.282 22.170 21 HH22 ARG 9 2HH2 ARG 9 -1.220 -20.577 20.795 22 H GLU 10 H GLU 10 -0.912 -13.656 25.672 23 HA GLU 10 HA GLU 10 -2.685 -12.092 27.357 24 HB2 GLU 10 2HB GLU 10 -0.434 -11.184 27.148 25 HB3 GLU 10 1HB GLU 10 -0.533 -11.232 25.395 26 HG2 GLU 10 2HG GLU 10 -0.801 -8.966 26.172 27 HG3 GLU 10 1HG GLU 10 -2.300 -9.535 25.455 28 H ASN 11 H ASN 11 -4.654 -12.529 26.566 29 HA ASN 11 HA ASN 11 -5.100 -11.547 23.870 30 HB2 ASN 11 2HB ASN 11 -6.316 -14.003 25.078 31 HB3 ASN 11 1HB ASN 11 -7.134 -13.128 23.785 32 HD21 ASN 11 1HD2 ASN 11 -4.420 -15.093 24.648 33 HD22 ASN 11 2HD2 ASN 11 -3.917 -15.421 23.017 34 H LEU 12 H LEU 12 -5.581 -9.599 24.462 35 HA LEU 12 HA LEU 12 -8.301 -9.234 25.074 36 HB2 LEU 12 2HB LEU 12 -7.960 -7.474 26.755 37 HB3 LEU 12 1HB LEU 12 -7.359 -8.998 27.348 38 HG LEU 12 HG LEU 12 -5.068 -8.111 26.599 39 HD11 LEU 12 1HD1 LEU 12 -5.729 -6.154 25.380 40 HD12 LEU 12 2HD1 LEU 12 -4.764 -5.684 26.781 41 HD13 LEU 12 3HD1 LEU 12 -6.513 -5.485 26.810 42 HD21 LEU 12 1HD2 LEU 12 -4.759 -7.010 28.787 43 HD22 LEU 12 2HD2 LEU 12 -5.646 -8.530 28.897 44 HD23 LEU 12 3HD2 LEU 12 -6.511 -6.996 28.997 45 H TYR 13 H TYR 13 -8.800 -6.993 24.364 46 HA TYR 13 HA TYR 13 -6.799 -6.353 22.335 47 HB2 TYR 13 2HB TYR 13 -8.915 -7.219 21.366 48 HB3 TYR 13 1HB TYR 13 -9.768 -5.854 22.080 49 HD1 TYR 13 1HD TYR 13 -10.200 -4.079 20.694 50 HD2 TYR 13 2HD TYR 13 -6.763 -6.457 19.935 51 HE1 TYR 13 1HE TYR 13 -9.693 -2.713 18.733 52 HE2 TYR 13 2HE TYR 13 -6.234 -5.083 17.962 53 HH TYR 13 HH TYR 13 -7.444 -3.579 16.377 54 H PHE 14 H PHE 14 -5.707 -4.708 22.780 55 HA PHE 14 HA PHE 14 -6.687 -2.614 24.530 56 HB2 PHE 14 2HB PHE 14 -4.416 -3.625 24.817 57 HB3 PHE 14 1HB PHE 14 -3.988 -3.079 23.206 58 HD1 PHE 14 1HD PHE 14 -4.807 -1.971 26.626 59 HD2 PHE 14 2HD PHE 14 -3.230 -0.873 22.834 60 HE1 PHE 14 1HE PHE 14 -3.984 0.143 27.576 61 HE2 PHE 14 2HE PHE 14 -2.412 1.233 23.777 62 HZ PHE 14 HZ PHE 14 -2.786 1.747 26.156 63 H GLN 15 H GLN 15 -6.383 -0.323 23.735 64 HA GLN 15 HA GLN 15 -7.590 -0.008 21.202 65 HB2 GLN 15 2HB GLN 15 -7.957 1.597 23.021 66 HB3 GLN 15 1HB GLN 15 -6.267 2.079 22.948 67 HG2 GLN 15 2HG GLN 15 -7.584 3.712 21.783 68 HG3 GLN 15 1HG GLN 15 -6.607 2.806 20.625 69 HE21 GLN 15 1HE2 GLN 15 -7.888 3.147 18.889 70 HE22 GLN 15 2HE2 GLN 15 -9.478 2.517 18.693 71 H GLY 16 H GLY 16 -6.536 -0.543 19.458 72 HA2 GLY 16 2HA GLY 16 -3.720 -0.037 19.097 73 HA3 GLY 16 1HA GLY 16 -4.829 -0.717 17.901 74 H HIS 17 H HIS 17 -2.912 1.395 17.477 75 HA HIS 17 HA HIS 17 -4.521 3.806 17.346 76 HB2 HIS 17 2HB HIS 17 -2.544 4.976 16.666 77 HB3 HIS 17 1HB HIS 17 -2.090 3.907 17.979 78 HD1 HIS 17 1HD HIS 17 -0.699 5.134 15.023 79 HD2 HIS 17 2HD HIS 17 -1.040 1.302 16.598 80 HE1 HIS 17 1HE HIS 17 1.036 3.739 13.846 81 H MET 18 H MET 18 -5.333 4.717 15.473 82 HA MET 18 HA MET 18 -5.264 2.982 13.148 83 HB2 MET 18 2HB MET 18 -7.397 4.188 13.903 84 HB3 MET 18 1HB MET 18 -6.624 5.684 13.396 85 HG2 MET 18 2HG MET 18 -6.459 4.828 11.109 86 HG3 MET 18 1HG MET 18 -7.226 3.329 11.622 87 HE1 MET 18 1HE MET 18 -8.293 4.963 9.172 88 HE2 MET 18 2HE MET 18 -10.030 4.994 9.469 89 HE3 MET 18 3HE MET 18 -9.115 3.517 9.759 90 H ALA 19 H ALA 19 -3.900 3.350 11.513 91 HA ALA 19 HA ALA 19 -1.713 5.003 12.171 92 HB1 ALA 19 1HB ALA 19 -0.611 4.068 10.254 93 HB2 ALA 19 2HB ALA 19 -2.127 3.354 9.700 94 HB3 ALA 19 3HB ALA 19 -1.392 2.818 11.216 95 H ALA 20 H ALA 20 -1.865 7.077 11.984 96 HA ALA 20 HA ALA 20 -2.560 8.316 9.446 97 HB1 ALA 20 1HB ALA 20 -2.872 9.679 11.478 98 HB2 ALA 20 2HB ALA 20 -1.516 10.349 10.574 99 HB3 ALA 20 3HB ALA 20 -1.219 9.340 11.989 100 HA PRO 21 HA PRO 21 0.835 6.973 7.031 101 HB2 PRO 21 2HB PRO 21 1.911 9.721 7.533 102 HB3 PRO 21 1HB PRO 21 1.888 8.778 6.025 103 HG2 PRO 21 2HG PRO 21 -0.027 10.628 6.700 104 HG3 PRO 21 1HG PRO 21 -0.230 9.305 5.533 105 HD2 PRO 21 2HD PRO 21 -1.635 9.627 7.969 106 HD3 PRO 21 1HD PRO 21 -1.645 8.199 6.910 107 H ALA 22 H ALA 22 1.532 5.471 8.430 108 HA ALA 22 HA ALA 22 3.134 5.934 10.713 109 HB1 ALA 22 1HB ALA 22 2.515 3.326 9.348 110 HB2 ALA 22 2HB ALA 22 1.498 4.123 10.551 111 HB3 ALA 22 3HB ALA 22 3.099 3.538 10.997 112 H ARG 23 H ARG 23 4.318 6.712 8.222 113 HA ARG 23 HA ARG 23 6.408 6.986 7.341 114 HB2 ARG 23 2HB ARG 23 7.243 5.850 9.998 115 HB3 ARG 23 1HB ARG 23 8.249 6.830 8.939 116 HG2 ARG 23 2HG ARG 23 6.699 8.714 9.216 117 HG3 ARG 23 1HG ARG 23 5.691 7.720 10.269 118 HD2 ARG 23 2HD ARG 23 7.683 7.463 11.773 119 HD3 ARG 23 1HD ARG 23 8.508 8.623 10.733 120 HE ARG 23 HE ARG 23 6.045 9.652 11.658 121 HH11 ARG 23 1HH1 ARG 23 9.414 9.163 12.578 122 HH12 ARG 23 2HH1 ARG 23 9.385 10.293 13.850 123 HH21 ARG 23 1HH2 ARG 23 6.006 11.233 13.354 124 HH22 ARG 23 2HH2 ARG 23 7.410 11.520 14.296 125 H SER 24 H SER 24 5.170 4.180 7.015 126 HA SER 24 HA SER 24 7.443 3.109 5.598 127 HB2 SER 24 2HB SER 24 5.988 1.529 7.739 128 HB3 SER 24 1HB SER 24 7.136 0.832 6.599 129 HG SER 24 HG SER 24 8.009 3.021 8.015 130 H CYS 25 H CYS 25 6.655 1.815 3.760 131 HA CYS 25 HA CYS 25 3.747 1.803 3.576 132 HB2 CYS 25 2HB CYS 25 5.886 1.949 1.432 133 HB3 CYS 25 1HB CYS 25 4.179 1.637 1.095 134 H VAL 26 H VAL 26 2.846 -0.096 3.344 135 HA VAL 26 HA VAL 26 4.633 -2.426 3.491 136 HB VAL 26 HB VAL 26 1.892 -2.112 4.731 137 HG11 VAL 26 1HG1 VAL 26 4.213 -3.869 5.409 138 HG12 VAL 26 2HG1 VAL 26 2.719 -4.401 4.590 139 HG13 VAL 26 3HG1 VAL 26 2.675 -3.786 6.257 140 HG21 VAL 26 1HG2 VAL 26 4.548 -1.441 5.869 141 HG22 VAL 26 2HG2 VAL 26 3.029 -1.620 6.771 142 HG23 VAL 26 3HG2 VAL 26 3.184 -0.362 5.533 143 H TYR 27 H TYR 27 4.353 -3.765 1.933 144 HA TYR 27 HA TYR 27 2.247 -3.265 0.029 145 HB2 TYR 27 2HB TYR 27 4.720 -5.007 -0.145 146 HB3 TYR 27 1HB TYR 27 3.590 -4.706 -1.473 147 HD1 TYR 27 1HD TYR 27 6.060 -3.118 0.764 148 HD2 TYR 27 2HD TYR 27 3.628 -2.656 -2.677 149 HE1 TYR 27 1HE TYR 27 7.191 -1.015 0.274 150 HE2 TYR 27 2HE TYR 27 4.789 -0.509 -3.181 151 HH TYR 27 HH TYR 27 7.621 0.455 -1.648 152 H TYR 28 H TYR 28 0.595 -4.461 -0.300 153 HA TYR 28 HA TYR 28 0.416 -7.073 0.981 154 HB2 TYR 28 2HB TYR 28 -1.742 -4.962 0.750 155 HB3 TYR 28 1HB TYR 28 -1.949 -6.632 1.235 156 HD1 TYR 28 1HD TYR 28 -1.285 -7.407 3.396 157 HD2 TYR 28 2HD TYR 28 -0.746 -3.313 2.362 158 HE1 TYR 28 1HE TYR 28 -0.967 -6.875 5.746 159 HE2 TYR 28 2HE TYR 28 -0.414 -2.774 4.711 160 HH TYR 28 HH TYR 28 -1.097 -3.725 6.910 161 H ASP 29 H ASP 29 -0.346 -8.576 -0.292 162 HA ASP 29 HA ASP 29 -1.180 -7.986 -3.027 163 HB2 ASP 29 2HB ASP 29 0.191 -9.925 -2.722 164 HB3 ASP 29 1HB ASP 29 -0.800 -10.436 -1.374 165 H GLY 30 H GLY 30 -3.152 -7.085 -2.999 166 HA2 GLY 30 2HA GLY 30 -5.278 -8.680 -1.979 167 HA3 GLY 30 1HA GLY 30 -5.090 -7.236 -1.039 168 H HIS 31 H HIS 31 -6.785 -8.532 -3.027 169 HA HIS 31 HA HIS 31 -7.340 -6.424 -4.961 170 HB2 HIS 31 2HB HIS 31 -7.433 -9.022 -5.311 171 HB3 HIS 31 1HB HIS 31 -8.966 -8.915 -4.439 172 HD1 HIS 31 1HD HIS 31 -10.806 -9.085 -6.144 173 HD2 HIS 31 2HD HIS 31 -7.547 -6.906 -7.504 174 HE1 HIS 31 1HE HIS 31 -11.376 -8.380 -8.491 175 H LEU 32 H LEU 32 -8.341 -7.880 -1.961 176 HA LEU 32 HA LEU 32 -10.216 -5.709 -1.418 177 HB2 LEU 32 2HB LEU 32 -11.452 -7.822 -1.910 178 HB3 LEU 32 1HB LEU 32 -10.509 -8.643 -0.690 179 HG LEU 32 HG LEU 32 -11.499 -7.006 0.980 180 HD11 LEU 32 1HD1 LEU 32 -13.578 -5.926 0.399 181 HD12 LEU 32 2HD1 LEU 32 -13.447 -6.515 -1.250 182 HD13 LEU 32 3HD1 LEU 32 -12.290 -5.338 -0.656 183 HD21 LEU 32 1HD2 LEU 32 -13.557 -8.276 1.218 184 HD22 LEU 32 2HD2 LEU 32 -12.206 -9.342 0.827 185 HD23 LEU 32 3HD2 LEU 32 -13.377 -8.904 -0.415 186 HA PRO 33 HA PRO 33 -7.152 -5.394 1.855 187 HB2 PRO 33 2HB PRO 33 -8.608 -3.938 3.679 188 HB3 PRO 33 1HB PRO 33 -7.765 -3.230 2.285 189 HG2 PRO 33 2HG PRO 33 -10.633 -3.874 2.606 190 HG3 PRO 33 1HG PRO 33 -9.859 -2.509 1.781 191 HD2 PRO 33 2HD PRO 33 -10.886 -4.593 0.442 192 HD3 PRO 33 1HD PRO 33 -9.461 -3.694 -0.135 193 H ALA 34 H ALA 34 -10.240 -6.838 2.377 194 HA ALA 34 HA ALA 34 -9.751 -7.667 5.043 195 HB1 ALA 34 1HB ALA 34 -11.628 -8.890 3.028 196 HB2 ALA 34 2HB ALA 34 -12.022 -7.582 4.149 197 HB3 ALA 34 3HB ALA 34 -11.629 -9.184 4.765 198 H THR 35 H THR 35 -9.081 -9.111 1.913 199 HA THR 35 HA THR 35 -7.957 -11.440 3.293 200 HB THR 35 HB THR 35 -9.829 -12.011 1.922 201 HG1 THR 35 1HG THR 35 -7.338 -12.959 1.333 202 HG21 THR 35 1HG2 THR 35 -9.900 -10.206 0.373 203 HG22 THR 35 2HG2 THR 35 -9.818 -11.713 -0.551 204 HG23 THR 35 3HG2 THR 35 -8.376 -10.707 -0.357 205 H ARG 36 H ARG 36 -6.832 -8.789 2.601 206 HA ARG 36 HA ARG 36 -4.825 -8.930 0.639 207 HB2 ARG 36 2HB ARG 36 -3.750 -7.113 1.862 208 HB3 ARG 36 1HB ARG 36 -5.488 -6.853 1.789 209 HG2 ARG 36 2HG ARG 36 -5.689 -7.768 4.065 210 HG3 ARG 36 1HG ARG 36 -3.935 -7.921 4.129 211 HD2 ARG 36 2HD ARG 36 -3.724 -5.503 3.845 212 HD3 ARG 36 1HD ARG 36 -5.484 -5.364 3.788 213 HE ARG 36 HE ARG 36 -4.925 -6.720 6.076 214 HH11 ARG 36 1HH1 ARG 36 -4.372 -3.524 4.756 215 HH12 ARG 36 2HH1 ARG 36 -4.051 -2.733 6.210 216 HH21 ARG 36 1HH2 ARG 36 -4.531 -5.700 8.168 217 HH22 ARG 36 2HH2 ARG 36 -4.205 -4.039 8.299 218 H VAL 37 H VAL 37 -2.504 -9.365 0.854 219 HA VAL 37 HA VAL 37 -1.893 -11.196 3.082 220 HB VAL 37 HB VAL 37 -0.798 -11.313 0.256 221 HG11 VAL 37 1HG1 VAL 37 0.147 -13.466 0.881 222 HG12 VAL 37 2HG1 VAL 37 -0.434 -13.236 2.529 223 HG13 VAL 37 3HG1 VAL 37 0.786 -12.148 1.865 224 HG21 VAL 37 1HG2 VAL 37 -3.141 -11.955 0.262 225 HG22 VAL 37 2HG2 VAL 37 -2.835 -13.114 1.556 226 HG23 VAL 37 3HG2 VAL 37 -2.109 -13.353 -0.038 227 H LEU 38 H LEU 38 -0.160 -10.634 4.228 228 HA LEU 38 HA LEU 38 1.103 -8.126 3.795 229 HB2 LEU 38 2HB LEU 38 0.593 -9.162 6.013 230 HB3 LEU 38 1HB LEU 38 1.784 -10.390 5.687 231 HG LEU 38 HG LEU 38 2.459 -8.618 7.318 232 HD11 LEU 38 1HD1 LEU 38 4.723 -8.260 6.471 233 HD12 LEU 38 2HD1 LEU 38 4.205 -8.790 4.871 234 HD13 LEU 38 3HD1 LEU 38 4.189 -9.922 6.223 235 HD21 LEU 38 1HD2 LEU 38 2.500 -6.865 4.886 236 HD22 LEU 38 2HD2 LEU 38 3.114 -6.435 6.483 237 HD23 LEU 38 3HD2 LEU 38 1.394 -6.738 6.250 238 H LEU 39 H LEU 39 2.584 -7.877 2.182 239 HA LEU 39 HA LEU 39 4.203 -10.175 1.454 240 HB2 LEU 39 2HB LEU 39 4.107 -7.402 0.266 241 HB3 LEU 39 1HB LEU 39 5.010 -8.755 -0.387 242 HG LEU 39 HG LEU 39 2.004 -8.569 -0.189 243 HD11 LEU 39 1HD1 LEU 39 2.931 -7.106 -1.901 244 HD12 LEU 39 2HD1 LEU 39 2.061 -8.460 -2.618 245 HD13 LEU 39 3HD1 LEU 39 3.824 -8.465 -2.588 246 HD21 LEU 39 1HD2 LEU 39 2.017 -10.640 -1.502 247 HD22 LEU 39 2HD2 LEU 39 2.751 -10.840 0.091 248 HD23 LEU 39 3HD2 LEU 39 3.778 -10.709 -1.340 249 H MET 40 H MET 40 4.864 -6.723 2.210 250 HA MET 40 HA MET 40 6.901 -7.390 4.044 251 HB2 MET 40 2HB MET 40 7.969 -7.936 1.808 252 HB3 MET 40 1HB MET 40 7.834 -6.218 1.435 253 HG2 MET 40 2HG MET 40 9.265 -5.582 3.152 254 HG3 MET 40 1HG MET 40 9.079 -7.184 3.885 255 HE1 MET 40 1HE MET 40 10.573 -5.207 0.818 256 HE2 MET 40 2HE MET 40 9.737 -6.563 0.061 257 HE3 MET 40 3HE MET 40 11.500 -6.463 -0.001 258 H TYR 41 H TYR 41 7.652 -5.639 5.161 259 HA TYR 41 HA TYR 41 6.318 -3.054 4.890 260 HB2 TYR 41 2HB TYR 41 8.271 -4.201 6.907 261 HB3 TYR 41 1HB TYR 41 7.670 -2.557 6.974 262 HD1 TYR 41 1HD TYR 41 6.017 -2.159 8.479 263 HD2 TYR 41 2HD TYR 41 6.250 -6.045 6.783 264 HE1 TYR 41 1HE TYR 41 4.142 -2.896 9.891 265 HE2 TYR 41 2HE TYR 41 4.371 -6.775 8.191 266 HH TYR 41 HH TYR 41 2.401 -4.564 9.807 267 H VAL 42 H VAL 42 7.318 -1.280 3.998 268 HA VAL 42 HA VAL 42 10.232 -1.379 3.632 269 HB VAL 42 HB VAL 42 8.241 -0.218 1.702 270 HG11 VAL 42 1HG1 VAL 42 10.336 1.041 1.736 271 HG12 VAL 42 2HG1 VAL 42 10.183 0.133 0.235 272 HG13 VAL 42 3HG1 VAL 42 11.251 -0.450 1.513 273 HG21 VAL 42 1HG2 VAL 42 8.223 -2.608 1.668 274 HG22 VAL 42 2HG2 VAL 42 9.991 -2.647 1.531 275 HG23 VAL 42 3HG2 VAL 42 9.005 -1.990 0.205 276 H ARG 43 H ARG 43 11.195 0.355 4.610 277 HA ARG 43 HA ARG 43 9.832 2.444 5.830 278 HB2 ARG 43 2HB ARG 43 12.663 2.021 5.029 279 HB3 ARG 43 1HB ARG 43 12.148 3.593 5.608 280 HG2 ARG 43 2HG ARG 43 11.940 0.997 7.140 281 HG3 ARG 43 1HG ARG 43 13.111 2.328 7.316 282 HD2 ARG 43 2HD ARG 43 10.148 2.616 7.726 283 HD3 ARG 43 1HD ARG 43 11.367 2.457 8.973 284 HE ARG 43 HE ARG 43 12.033 4.561 7.216 285 HH11 ARG 43 1HH1 ARG 43 10.074 3.770 10.040 286 HH12 ARG 43 2HH1 ARG 43 9.855 5.384 10.519 287 HH21 ARG 43 1HH2 ARG 43 11.675 6.809 7.813 288 HH22 ARG 43 2HH2 ARG 43 10.721 7.177 9.137 289 H ILE 44 H ILE 44 9.594 4.447 5.388 290 HA ILE 44 HA ILE 44 9.301 5.251 2.607 291 HB ILE 44 HB ILE 44 9.506 7.239 4.869 292 HG12 ILE 44 2HG1 ILE 44 7.834 5.546 5.260 293 HG13 ILE 44 1HG1 ILE 44 7.126 7.168 5.195 294 HG21 ILE 44 1HG2 ILE 44 9.675 8.191 2.608 295 HG22 ILE 44 2HG2 ILE 44 8.144 8.682 3.340 296 HG23 ILE 44 3HG2 ILE 44 8.177 7.391 2.147 297 HD11 ILE 44 1HD1 ILE 44 5.660 5.566 4.206 298 HD12 ILE 44 2HD1 ILE 44 6.931 4.891 3.206 299 HD13 ILE 44 3HD1 ILE 44 6.316 6.526 2.889 300 H GLY 45 H GLY 45 10.820 5.824 1.360 301 HA2 GLY 45 2HA GLY 45 12.771 7.089 0.700 302 HA3 GLY 45 1HA GLY 45 13.284 7.072 2.383 303 H ASN 46 H ASN 46 12.080 4.140 1.242 304 HA ASN 46 HA ASN 46 14.791 3.107 0.868 305 HB2 ASN 46 2HB ASN 46 14.066 2.708 3.070 306 HB3 ASN 46 1HB ASN 46 12.561 2.002 2.457 307 HD21 ASN 46 1HD2 ASN 46 14.571 1.095 4.378 308 HD22 ASN 46 2HD2 ASN 46 15.149 -0.422 3.822 309 H THR 47 H THR 47 14.843 1.234 -0.287 310 HA THR 47 HA THR 47 12.664 0.955 -2.241 311 HB THR 47 HB THR 47 14.402 0.153 -3.760 312 HG1 THR 47 1HG THR 47 16.034 0.498 -1.790 313 HG21 THR 47 1HG2 THR 47 14.336 3.093 -3.058 314 HG22 THR 47 2HG2 THR 47 13.318 2.243 -4.223 315 HG23 THR 47 3HG2 THR 47 15.033 2.474 -4.553 316 H ALA 48 H ALA 48 12.292 -1.043 -2.994 317 HA ALA 48 HA ALA 48 13.680 -3.334 -1.756 318 HB1 ALA 48 1HB ALA 48 10.762 -2.866 -1.203 319 HB2 ALA 48 2HB ALA 48 12.069 -2.645 -0.039 320 HB3 ALA 48 3HB ALA 48 11.727 -4.250 -0.691 321 H THR 49 H THR 49 12.985 -5.356 -2.464 322 HA THR 49 HA THR 49 11.675 -5.324 -5.096 323 HB THR 49 HB THR 49 13.801 -7.238 -4.072 324 HG1 THR 49 1HG THR 49 14.258 -4.906 -4.533 325 HG21 THR 49 1HG2 THR 49 12.320 -8.171 -5.819 326 HG22 THR 49 2HG2 THR 49 13.957 -7.924 -6.425 327 HG23 THR 49 3HG2 THR 49 12.676 -6.783 -6.847 328 H ILE 50 H ILE 50 9.730 -6.199 -4.929 329 HA ILE 50 HA ILE 50 9.138 -8.127 -2.757 330 HB ILE 50 HB ILE 50 7.064 -7.022 -4.608 331 HG12 ILE 50 2HG1 ILE 50 8.298 -5.006 -3.938 332 HG13 ILE 50 1HG1 ILE 50 6.679 -5.050 -3.230 333 HG21 ILE 50 1HG2 ILE 50 6.433 -8.708 -3.003 334 HG22 ILE 50 2HG2 ILE 50 5.657 -7.175 -2.590 335 HG23 ILE 50 3HG2 ILE 50 7.057 -7.724 -1.682 336 HD11 ILE 50 1HD1 ILE 50 8.331 -4.228 -1.658 337 HD12 ILE 50 2HD1 ILE 50 9.273 -5.709 -1.896 338 HD13 ILE 50 3HD1 ILE 50 7.684 -5.794 -1.124 339 H THR 51 H THR 51 9.473 -10.180 -3.579 340 HA THR 51 HA THR 51 8.647 -10.629 -6.345 341 HB THR 51 HB THR 51 9.646 -12.639 -4.314 342 HG1 THR 51 1HG THR 51 11.058 -10.880 -4.797 343 HG21 THR 51 1HG2 THR 51 10.213 -13.994 -6.291 344 HG22 THR 51 2HG2 THR 51 9.555 -12.743 -7.344 345 HG23 THR 51 3HG2 THR 51 8.485 -13.636 -6.259 346 H ALA 52 H ALA 52 6.647 -11.130 -6.815 347 HA ALA 52 HA ALA 52 5.041 -12.793 -5.068 348 HB1 ALA 52 1HB ALA 52 4.487 -10.535 -4.298 349 HB2 ALA 52 2HB ALA 52 3.123 -11.220 -5.182 350 HB3 ALA 52 3HB ALA 52 4.170 -10.030 -5.955 351 H ARG 53 H ARG 53 4.194 -14.246 -6.295 352 HA ARG 53 HA ARG 53 3.465 -15.440 -8.008 353 HB2 ARG 53 2HB ARG 53 2.499 -12.755 -8.988 354 HB3 ARG 53 1HB ARG 53 2.103 -14.283 -9.804 355 HG2 ARG 53 2HG ARG 53 1.127 -15.125 -7.772 356 HG3 ARG 53 1HG ARG 53 1.537 -13.629 -6.934 357 HD2 ARG 53 2HD ARG 53 -0.029 -12.407 -8.313 358 HD3 ARG 53 1HD ARG 53 -0.373 -13.866 -9.267 359 HE ARG 53 HE ARG 53 -1.268 -14.886 -7.333 360 HH11 ARG 53 1HH1 ARG 53 -1.115 -11.354 -7.155 361 HH12 ARG 53 2HH1 ARG 53 -1.864 -11.285 -5.622 362 HH21 ARG 53 1HH2 ARG 53 -2.274 -14.747 -5.267 363 HH22 ARG 53 2HH2 ARG 53 -2.479 -13.202 -4.531 364 H GLY 54 H GLY 54 6.083 -14.358 -7.994 365 HA2 GLY 54 2HA GLY 54 7.964 -14.866 -9.263 366 HA3 GLY 54 1HA GLY 54 6.894 -15.302 -10.602 367 H HIS 55 H HIS 55 6.153 -12.288 -9.278 368 HA HIS 55 HA HIS 55 7.709 -10.930 -11.379 369 HB2 HIS 55 2HB HIS 55 5.317 -9.912 -9.803 370 HB3 HIS 55 1HB HIS 55 6.135 -9.075 -11.120 371 HD1 HIS 55 1HD HIS 55 5.151 -9.479 -13.458 372 HD2 HIS 55 2HD HIS 55 3.760 -12.151 -10.594 373 HE1 HIS 55 1HE HIS 55 3.205 -10.659 -14.500 374 H GLU 56 H GLU 56 9.397 -9.770 -10.566 375 HA GLU 56 HA GLU 56 9.380 -9.215 -7.721 376 HB2 GLU 56 2HB GLU 56 11.536 -8.791 -9.798 377 HB3 GLU 56 1HB GLU 56 11.686 -8.366 -8.106 378 HG2 GLU 56 2HG GLU 56 12.821 -10.391 -8.316 379 HG3 GLU 56 1HG GLU 56 11.245 -10.790 -7.619 380 H PHE 57 H PHE 57 8.563 -7.324 -7.066 381 HA PHE 57 HA PHE 57 8.389 -5.168 -9.018 382 HB2 PHE 57 2HB PHE 57 7.042 -5.559 -6.333 383 HB3 PHE 57 1HB PHE 57 6.755 -4.218 -7.449 384 HD1 PHE 57 1HD PHE 57 5.778 -4.771 -9.732 385 HD2 PHE 57 2HD PHE 57 5.809 -7.524 -6.480 386 HE1 PHE 57 1HE PHE 57 3.962 -6.044 -10.793 387 HE2 PHE 57 2HE PHE 57 3.991 -8.799 -7.546 388 HZ PHE 57 HZ PHE 57 3.068 -8.061 -9.688 389 H GLU 58 H GLU 58 10.240 -3.969 -8.896 390 HA GLU 58 HA GLU 58 11.441 -3.643 -6.290 391 HB2 GLU 58 2HB GLU 58 12.822 -4.170 -8.364 392 HB3 GLU 58 1HB GLU 58 12.353 -2.580 -8.973 393 HG2 GLU 58 2HG GLU 58 13.403 -1.542 -7.058 394 HG3 GLU 58 1HG GLU 58 13.887 -3.155 -6.530 395 H VAL 59 H VAL 59 10.643 -2.165 -5.159 396 HA VAL 59 HA VAL 59 9.159 0.101 -6.334 397 HB VAL 59 HB VAL 59 7.931 0.142 -4.176 398 HG11 VAL 59 1HG1 VAL 59 7.833 -2.463 -5.699 399 HG12 VAL 59 2HG1 VAL 59 6.823 -1.023 -5.959 400 HG13 VAL 59 3HG1 VAL 59 6.655 -1.969 -4.492 401 HG21 VAL 59 1HG2 VAL 59 8.127 -1.755 -2.702 402 HG22 VAL 59 2HG2 VAL 59 9.669 -0.850 -2.897 403 HG23 VAL 59 3HG2 VAL 59 9.426 -2.383 -3.750 404 H GLU 60 H GLU 60 9.133 2.008 -5.194 405 HA GLU 60 HA GLU 60 11.361 2.491 -3.389 406 HB2 GLU 60 2HB GLU 60 12.017 3.312 -5.600 407 HB3 GLU 60 1HB GLU 60 10.490 4.192 -5.750 408 HG2 GLU 60 2HG GLU 60 11.156 5.693 -3.999 409 HG3 GLU 60 1HG GLU 60 12.588 4.721 -3.670 410 H ALA 61 H ALA 61 10.218 2.705 -1.601 411 HA ALA 61 HA ALA 61 7.606 3.977 -1.683 412 HB1 ALA 61 1HB ALA 61 8.003 2.206 -0.013 413 HB2 ALA 61 2HB ALA 61 7.593 3.728 0.775 414 HB3 ALA 61 3HB ALA 61 9.270 3.186 0.728 415 H LYS 62 H LYS 62 8.066 5.950 -2.566 416 HA LYS 62 HA LYS 62 10.065 7.637 -1.459 417 HB2 LYS 62 2HB LYS 62 9.955 7.515 -3.771 418 HB3 LYS 62 1HB LYS 62 8.201 7.565 -3.787 419 HG2 LYS 62 2HG LYS 62 8.151 9.685 -3.245 420 HG3 LYS 62 1HG LYS 62 9.901 9.895 -2.972 421 HD2 LYS 62 2HD LYS 62 9.465 10.801 -5.197 422 HD3 LYS 62 1HD LYS 62 10.138 9.198 -5.457 423 HE2 LYS 62 2HE LYS 62 8.282 9.489 -6.938 424 HE3 LYS 62 1HE LYS 62 7.821 8.324 -5.709 425 HZ1 LYS 62 1HZ LYS 62 7.061 11.195 -5.765 426 HZ2 LYS 62 2HZ LYS 62 6.615 10.174 -4.542 427 HZ3 LYS 62 3HZ LYS 62 6.032 9.924 -6.114 428 H ASP 63 H ASP 63 6.616 7.329 -1.400 429 HA ASP 63 HA ASP 63 6.421 9.637 0.395 430 HB2 ASP 63 2HB ASP 63 4.551 9.082 -1.922 431 HB3 ASP 63 1HB ASP 63 4.193 10.193 -0.615 432 H GLN 64 H GLN 64 4.832 9.510 1.884 433 HA GLN 64 HA GLN 64 4.064 6.901 2.711 434 HB2 GLN 64 2HB GLN 64 3.060 7.988 4.646 435 HB3 GLN 64 1HB GLN 64 4.714 8.503 4.402 436 HG2 GLN 64 2HG GLN 64 2.388 10.146 3.447 437 HG3 GLN 64 1HG GLN 64 2.964 10.254 5.099 438 HE21 GLN 64 1HE2 GLN 64 3.455 12.411 4.839 439 HE22 GLN 64 2HE2 GLN 64 4.818 12.937 3.920 440 H ASN 65 H ASN 65 2.861 8.604 0.398 441 HA ASN 65 HA ASN 65 0.026 8.355 0.611 442 HB2 ASN 65 2HB ASN 65 1.018 9.725 -1.150 443 HB3 ASN 65 1HB ASN 65 1.929 8.339 -1.755 444 HD21 ASN 65 1HD2 ASN 65 1.096 8.716 -3.825 445 HD22 ASN 65 2HD2 ASN 65 -0.507 8.305 -4.257 446 H CYS 66 H CYS 66 2.701 6.305 -0.107 447 HA CYS 66 HA CYS 66 3.043 4.196 -0.411 448 HB2 CYS 66 2HB CYS 66 0.586 3.925 1.312 449 HB3 CYS 66 1HB CYS 66 1.696 2.609 0.907 450 H LYS 67 H LYS 67 1.521 5.432 -2.501 451 HA LYS 67 HA LYS 67 0.110 3.337 -3.661 452 HB2 LYS 67 2HB LYS 67 0.157 5.825 -4.305 453 HB3 LYS 67 1HB LYS 67 1.721 5.508 -5.039 454 HG2 LYS 67 2HG LYS 67 -0.007 5.514 -6.727 455 HG3 LYS 67 1HG LYS 67 0.613 3.871 -6.539 456 HD2 LYS 67 2HD LYS 67 -1.430 4.514 -4.695 457 HD3 LYS 67 1HD LYS 67 -2.070 4.597 -6.371 458 HE2 LYS 67 2HE LYS 67 -1.166 2.263 -6.673 459 HE3 LYS 67 1HE LYS 67 -0.656 2.340 -4.980 460 HZ1 LYS 67 1HZ LYS 67 -3.512 2.486 -5.883 461 HZ2 LYS 67 2HZ LYS 67 -2.962 2.403 -4.294 462 HZ3 LYS 67 3HZ LYS 67 -2.770 1.095 -5.304 463 H VAL 68 H VAL 68 1.057 1.676 -4.790 464 HA VAL 68 HA VAL 68 3.759 1.113 -4.308 465 HB VAL 68 HB VAL 68 2.291 -0.751 -4.536 466 HG11 VAL 68 1HG1 VAL 68 1.692 0.190 -7.331 467 HG12 VAL 68 2HG1 VAL 68 0.587 0.195 -5.958 468 HG13 VAL 68 3HG1 VAL 68 1.149 -1.334 -6.633 469 HG21 VAL 68 1HG2 VAL 68 4.560 -1.170 -5.270 470 HG22 VAL 68 2HG2 VAL 68 4.159 -0.629 -6.895 471 HG23 VAL 68 3HG2 VAL 68 3.440 -2.106 -6.262 472 H ILE 69 H ILE 69 5.246 2.313 -5.024 473 HA ILE 69 HA ILE 69 5.209 3.324 -7.774 474 HB ILE 69 HB ILE 69 6.597 4.307 -5.266 475 HG12 ILE 69 2HG1 ILE 69 4.610 5.693 -7.048 476 HG13 ILE 69 1HG1 ILE 69 4.165 4.758 -5.629 477 HG21 ILE 69 1HG2 ILE 69 6.852 5.390 -8.070 478 HG22 ILE 69 2HG2 ILE 69 8.118 4.591 -7.140 479 HG23 ILE 69 3HG2 ILE 69 7.492 6.154 -6.615 480 HD11 ILE 69 1HD1 ILE 69 4.210 7.162 -5.151 481 HD12 ILE 69 2HD1 ILE 69 5.892 7.240 -5.676 482 HD13 ILE 69 3HD1 ILE 69 5.462 6.327 -4.231 483 H LEU 70 H LEU 70 6.624 2.412 -9.119 484 HA LEU 70 HA LEU 70 8.509 0.586 -7.976 485 HB2 LEU 70 2HB LEU 70 7.641 1.012 -10.817 486 HB3 LEU 70 1HB LEU 70 8.896 -0.104 -10.336 487 HG LEU 70 HG LEU 70 6.946 -1.342 -10.719 488 HD11 LEU 70 1HD1 LEU 70 7.376 -1.133 -7.803 489 HD12 LEU 70 2HD1 LEU 70 8.188 -2.202 -8.944 490 HD13 LEU 70 3HD1 LEU 70 6.465 -2.406 -8.607 491 HD21 LEU 70 1HD2 LEU 70 4.833 -0.987 -9.575 492 HD22 LEU 70 2HD2 LEU 70 5.287 0.400 -10.572 493 HD23 LEU 70 3HD2 LEU 70 5.497 0.464 -8.820 494 H THR 71 H THR 71 10.502 0.545 -8.531 495 HA THR 71 HA THR 71 11.938 3.041 -8.494 496 HB THR 71 HB THR 71 13.964 1.640 -8.831 497 HG1 THR 71 1HG THR 71 13.679 -0.550 -9.208 498 HG21 THR 71 1HG2 THR 71 11.926 0.424 -7.030 499 HG22 THR 71 2HG2 THR 71 12.814 1.908 -6.676 500 HG23 THR 71 3HG2 THR 71 13.689 0.356 -6.815 501 H ASN 72 H ASN 72 11.006 0.872 -10.880 502 HA ASN 72 HA ASN 72 12.649 2.078 -12.998 503 HB2 ASN 72 2HB ASN 72 11.858 0.022 -14.300 504 HB3 ASN 72 1HB ASN 72 12.939 -0.272 -12.926 505 HD21 ASN 72 1HD2 ASN 72 12.226 -1.487 -11.240 506 HD22 ASN 72 2HD2 ASN 72 10.669 -2.213 -11.189 507 H GLY 73 H GLY 73 9.548 1.924 -11.753 508 HA2 GLY 73 2HA GLY 73 7.893 3.480 -12.339 509 HA3 GLY 73 1HA GLY 73 8.712 3.704 -13.887 510 H LYS 74 H LYS 74 8.117 0.334 -13.029 511 HA LYS 74 HA LYS 74 6.385 0.035 -15.073 512 HB2 LYS 74 2HB LYS 74 6.875 -1.599 -12.624 513 HB3 LYS 74 1HB LYS 74 5.686 -2.088 -13.816 514 HG2 LYS 74 2HG LYS 74 7.334 -2.380 -15.460 515 HG3 LYS 74 1HG LYS 74 8.547 -1.537 -14.486 516 HD2 LYS 74 2HD LYS 74 8.453 -3.253 -12.814 517 HD3 LYS 74 1HD LYS 74 7.166 -4.057 -13.701 518 HE2 LYS 74 2HE LYS 74 10.007 -3.612 -14.653 519 HE3 LYS 74 1HE LYS 74 9.383 -5.138 -14.040 520 HZ1 LYS 74 1HZ LYS 74 7.833 -5.196 -15.891 521 HZ2 LYS 74 2HZ LYS 74 9.424 -5.165 -16.406 522 HZ3 LYS 74 3HZ LYS 74 8.488 -3.762 -16.533 523 H GLN 75 H GLN 75 4.251 -0.670 -14.984 524 HA GLN 75 HA GLN 75 2.515 0.793 -13.166 525 HB2 GLN 75 2HB GLN 75 1.922 0.732 -15.550 526 HB3 GLN 75 1HB GLN 75 1.949 -1.025 -15.526 527 HG2 GLN 75 2HG GLN 75 -0.321 -0.225 -15.526 528 HG3 GLN 75 1HG GLN 75 0.036 -1.025 -13.997 529 HE21 GLN 75 1HE2 GLN 75 -0.613 1.940 -15.578 530 HE22 GLN 75 2HE2 GLN 75 -0.961 2.889 -14.174 531 H ALA 76 H ALA 76 2.347 -0.189 -11.230 532 HA ALA 76 HA ALA 76 2.462 -3.070 -11.098 533 HB1 ALA 76 1HB ALA 76 2.499 -0.882 -9.038 534 HB2 ALA 76 2HB ALA 76 3.530 -2.326 -9.173 535 HB3 ALA 76 3HB ALA 76 1.895 -2.452 -8.588 536 HA PRO 77 HA PRO 77 -1.874 -3.793 -11.559 537 HB2 PRO 77 2HB PRO 77 -2.102 -5.919 -9.888 538 HB3 PRO 77 1HB PRO 77 -1.393 -6.010 -11.520 539 HG2 PRO 77 2HG PRO 77 -0.019 -5.795 -8.897 540 HG3 PRO 77 1HG PRO 77 0.353 -6.851 -10.284 541 HD2 PRO 77 2HD PRO 77 1.756 -4.664 -9.871 542 HD3 PRO 77 1HD PRO 77 1.266 -5.132 -11.521 543 H ASP 78 H ASP 78 -3.839 -3.857 -10.508 544 HA ASP 78 HA ASP 78 -4.281 -1.953 -8.506 545 HB2 ASP 78 2HB ASP 78 -5.964 -2.597 -10.186 546 HB3 ASP 78 1HB ASP 78 -6.083 -4.191 -9.462 547 H TRP 79 H TRP 79 -4.030 -5.444 -8.405 548 HA TRP 79 HA TRP 79 -4.885 -5.741 -5.716 549 HB2 TRP 79 2HB TRP 79 -4.092 -8.083 -5.929 550 HB3 TRP 79 1HB TRP 79 -5.117 -7.574 -7.269 551 HD1 TRP 79 HD TRP 79 -4.133 -7.667 -9.595 552 HE1 TRP 79 1HE TRP 79 -2.001 -8.681 -10.620 553 HE3 TRP 79 3HE TRP 79 -1.408 -8.368 -5.293 554 HZ2 TRP 79 2HZ TRP 79 0.512 -9.601 -9.731 555 HZ3 TRP 79 3HZ TRP 79 0.846 -9.286 -5.489 556 HH2 TRP 79 HH TRP 79 1.793 -9.898 -7.655 557 H LEU 80 H LEU 80 -2.000 -4.625 -7.005 558 HA LEU 80 HA LEU 80 -0.467 -5.557 -4.744 559 HB2 LEU 80 2HB LEU 80 0.608 -5.618 -6.925 560 HB3 LEU 80 1HB LEU 80 0.314 -3.892 -7.147 561 HG LEU 80 HG LEU 80 1.932 -3.364 -5.436 562 HD11 LEU 80 1HD1 LEU 80 3.210 -5.116 -4.352 563 HD12 LEU 80 2HD1 LEU 80 2.191 -6.335 -5.152 564 HD13 LEU 80 3HD1 LEU 80 1.484 -5.226 -3.952 565 HD21 LEU 80 1HD2 LEU 80 3.945 -4.290 -6.439 566 HD22 LEU 80 2HD2 LEU 80 2.799 -3.815 -7.690 567 HD23 LEU 80 3HD2 LEU 80 2.987 -5.510 -7.262 568 H ALA 81 H ALA 81 -1.097 -4.553 -3.008 569 HA ALA 81 HA ALA 81 -1.640 -1.657 -3.126 570 HB1 ALA 81 1HB ALA 81 -2.852 -1.959 -1.066 571 HB2 ALA 81 2HB ALA 81 -2.440 -3.660 -1.031 572 HB3 ALA 81 3HB ALA 81 -3.517 -3.035 -2.300 573 H ALA 82 H ALA 82 -1.048 -0.455 -1.358 574 HA ALA 82 HA ALA 82 0.775 -1.501 0.580 575 HB1 ALA 82 1HB ALA 82 1.579 0.784 -1.237 576 HB2 ALA 82 2HB ALA 82 2.339 -0.809 -1.207 577 HB3 ALA 82 3HB ALA 82 2.459 0.259 0.194 578 H GLU 83 H GLU 83 0.699 -0.283 2.419 579 HA GLU 83 HA GLU 83 -0.693 2.245 2.456 580 HB2 GLU 83 2HB GLU 83 -2.078 1.402 4.399 581 HB3 GLU 83 1HB GLU 83 -2.548 0.706 2.854 582 HG2 GLU 83 2HG GLU 83 -1.372 -1.311 3.450 583 HG3 GLU 83 1HG GLU 83 -0.812 -0.558 4.949 584 HA PRO 84 HA PRO 84 2.466 2.531 5.496 585 HB2 PRO 84 2HB PRO 84 1.745 4.578 7.050 586 HB3 PRO 84 1HB PRO 84 1.982 4.802 5.346 587 HG2 PRO 84 2HG PRO 84 -0.661 4.261 6.608 588 HG3 PRO 84 1HG PRO 84 -0.176 5.652 5.595 589 HD2 PRO 84 2HD PRO 84 -1.338 3.568 4.407 590 HD3 PRO 84 1HD PRO 84 0.104 4.378 3.719 591 H TYR 85 H TYR 85 3.005 1.519 7.247 592 HA TYR 85 HA TYR 85 1.634 -0.676 7.760 593 HB2 TYR 85 2HB TYR 85 3.393 -1.514 8.843 594 HB3 TYR 85 1HB TYR 85 4.081 -0.169 8.051 595 HD1 TYR 85 1HD TYR 85 3.109 -1.592 11.265 596 HD2 TYR 85 2HD TYR 85 5.057 1.692 9.402 597 HE1 TYR 85 1HE TYR 85 4.146 -1.012 13.402 598 HE2 TYR 85 2HE TYR 85 6.102 2.287 11.543 599 HH TYR 85 HH TYR 85 5.774 1.931 13.896 Start of MODEL 8 1 H SER 7 1HT SER 7 -12.457 -12.348 -11.166 2 HA SER 7 HA SER 7 -12.569 -13.050 -8.903 3 HB2 SER 7 2HB SER 7 -10.031 -13.091 -8.603 4 HB3 SER 7 1HB SER 7 -10.060 -11.336 -8.570 5 HG SER 7 HG SER 7 -10.481 -13.071 -6.598 6 H GLY 8 H GLY 8 -12.414 -10.852 -7.117 7 HA2 GLY 8 2HA GLY 8 -13.659 -8.707 -8.664 8 HA3 GLY 8 1HA GLY 8 -14.469 -9.366 -7.240 9 H ARG 9 H ARG 9 -12.979 -6.744 -8.022 10 HA ARG 9 HA ARG 9 -11.522 -6.702 -5.523 11 HB2 ARG 9 2HB ARG 9 -10.327 -4.632 -6.314 12 HB3 ARG 9 1HB ARG 9 -9.950 -6.087 -7.197 13 HG2 ARG 9 2HG ARG 9 -10.011 -4.337 -8.761 14 HG3 ARG 9 1HG ARG 9 -11.502 -5.232 -9.004 15 HD2 ARG 9 2HD ARG 9 -11.901 -2.839 -9.116 16 HD3 ARG 9 1HD ARG 9 -12.711 -3.534 -7.716 17 HE ARG 9 HE ARG 9 -10.106 -2.213 -7.454 18 HH11 ARG 9 1HH1 ARG 9 -13.491 -2.513 -6.419 19 HH12 ARG 9 2HH1 ARG 9 -13.431 -1.216 -5.328 20 HH21 ARG 9 1HH2 ARG 9 -10.019 -0.428 -5.902 21 HH22 ARG 9 2HH2 ARG 9 -11.419 0.003 -5.045 22 H GLU 10 H GLU 10 -12.394 -5.877 -3.893 23 HA GLU 10 HA GLU 10 -14.575 -3.927 -4.204 24 HB2 GLU 10 2HB GLU 10 -14.502 -6.210 -2.212 25 HB3 GLU 10 1HB GLU 10 -15.765 -5.044 -2.437 26 HG2 GLU 10 2HG GLU 10 -15.025 -7.045 -4.544 27 HG3 GLU 10 1HG GLU 10 -16.230 -7.337 -3.290 28 H ASN 11 H ASN 11 -14.919 -2.864 -2.090 29 HA ASN 11 HA ASN 11 -12.767 -3.082 -0.188 30 HB2 ASN 11 2HB ASN 11 -11.935 -1.301 -1.583 31 HB3 ASN 11 1HB ASN 11 -13.502 -0.522 -1.647 32 HD21 ASN 11 1HD2 ASN 11 -14.131 0.774 0.031 33 HD22 ASN 11 2HD2 ASN 11 -13.062 1.304 1.274 34 H LEU 12 H LEU 12 -13.539 -2.911 1.844 35 HA LEU 12 HA LEU 12 -16.359 -2.194 2.042 36 HB2 LEU 12 2HB LEU 12 -16.519 -3.588 4.058 37 HB3 LEU 12 1HB LEU 12 -16.060 -4.535 2.662 38 HG LEU 12 HG LEU 12 -13.948 -3.580 4.569 39 HD11 LEU 12 1HD1 LEU 12 -15.699 -4.677 5.936 40 HD12 LEU 12 2HD1 LEU 12 -14.221 -5.629 5.858 41 HD13 LEU 12 3HD1 LEU 12 -15.612 -6.089 4.878 42 HD21 LEU 12 1HD2 LEU 12 -12.805 -5.587 3.817 43 HD22 LEU 12 2HD2 LEU 12 -13.339 -4.654 2.407 44 HD23 LEU 12 3HD2 LEU 12 -14.231 -6.083 2.911 45 H TYR 13 H TYR 13 -16.830 -0.497 3.287 46 HA TYR 13 HA TYR 13 -14.561 0.646 4.664 47 HB2 TYR 13 2HB TYR 13 -15.833 2.222 3.269 48 HB3 TYR 13 1HB TYR 13 -17.282 1.896 4.219 49 HD1 TYR 13 1HD TYR 13 -17.603 2.875 6.368 50 HD2 TYR 13 2HD TYR 13 -13.928 3.447 4.314 51 HE1 TYR 13 1HE TYR 13 -16.974 4.591 7.992 52 HE2 TYR 13 2HE TYR 13 -13.290 5.180 5.943 53 HH TYR 13 HH TYR 13 -14.388 6.695 7.502 54 H PHE 14 H PHE 14 -14.254 -0.461 6.402 55 HA PHE 14 HA PHE 14 -16.397 -0.571 8.402 56 HB2 PHE 14 2HB PHE 14 -15.076 -2.678 7.983 57 HB3 PHE 14 1HB PHE 14 -13.607 -1.805 8.394 58 HD1 PHE 14 1HD PHE 14 -16.825 -3.023 9.743 59 HD2 PHE 14 2HD PHE 14 -12.921 -1.580 10.645 60 HE1 PHE 14 1HE PHE 14 -17.140 -3.640 12.101 61 HE2 PHE 14 2HE PHE 14 -13.233 -2.195 13.005 62 HZ PHE 14 HZ PHE 14 -15.344 -3.226 13.734 63 H GLN 15 H GLN 15 -16.036 0.657 10.346 64 HA GLN 15 HA GLN 15 -14.264 2.879 9.909 65 HB2 GLN 15 2HB GLN 15 -15.984 2.210 12.301 66 HB3 GLN 15 1HB GLN 15 -15.136 3.736 12.044 67 HG2 GLN 15 2HG GLN 15 -16.444 4.205 10.118 68 HG3 GLN 15 1HG GLN 15 -17.199 2.617 10.199 69 HE21 GLN 15 1HE2 GLN 15 -18.411 5.223 10.209 70 HE22 GLN 15 2HE2 GLN 15 -19.328 5.360 11.660 71 H GLY 16 H GLY 16 -12.388 1.973 9.856 72 HA2 GLY 16 2HA GLY 16 -11.381 0.624 12.254 73 HA3 GLY 16 1HA GLY 16 -10.597 0.594 10.671 74 H HIS 17 H HIS 17 -9.186 1.171 12.899 75 HA HIS 17 HA HIS 17 -8.994 4.000 13.249 76 HB2 HIS 17 2HB HIS 17 -7.151 1.763 14.119 77 HB3 HIS 17 1HB HIS 17 -6.895 3.459 14.523 78 HD1 HIS 17 1HD HIS 17 -7.448 3.667 16.953 79 HD2 HIS 17 2HD HIS 17 -10.177 1.296 14.924 80 HE1 HIS 17 1HE HIS 17 -9.209 3.015 18.641 81 H MET 18 H MET 18 -8.063 5.329 11.992 82 HA MET 18 HA MET 18 -7.203 4.807 9.442 83 HB2 MET 18 2HB MET 18 -7.928 7.009 10.098 84 HB3 MET 18 1HB MET 18 -6.571 7.176 11.200 85 HG2 MET 18 2HG MET 18 -6.209 8.469 9.179 86 HG3 MET 18 1HG MET 18 -5.027 7.167 9.307 87 HE1 MET 18 1HE MET 18 -4.286 7.139 6.833 88 HE2 MET 18 2HE MET 18 -5.235 8.606 6.667 89 HE3 MET 18 3HE MET 18 -5.396 7.313 5.474 90 H ALA 19 H ALA 19 -5.364 4.327 8.436 91 HA ALA 19 HA ALA 19 -3.072 3.520 9.967 92 HB1 ALA 19 1HB ALA 19 -2.125 2.918 7.766 93 HB2 ALA 19 2HB ALA 19 -3.493 3.698 6.970 94 HB3 ALA 19 3HB ALA 19 -3.753 2.260 7.958 95 H ALA 20 H ALA 20 -1.646 4.949 10.643 96 HA ALA 20 HA ALA 20 -1.697 7.655 9.630 97 HB1 ALA 20 1HB ALA 20 -0.088 6.386 11.843 98 HB2 ALA 20 2HB ALA 20 -1.596 7.275 12.050 99 HB3 ALA 20 3HB ALA 20 -0.152 8.107 11.487 100 HA PRO 21 HA PRO 21 2.038 7.246 7.138 101 HB2 PRO 21 2HB PRO 21 2.770 9.883 8.314 102 HB3 PRO 21 1HB PRO 21 2.607 9.446 6.603 103 HG2 PRO 21 2HG PRO 21 0.800 10.960 7.690 104 HG3 PRO 21 1HG PRO 21 0.309 9.620 6.623 105 HD2 PRO 21 2HD PRO 21 0.264 9.728 9.609 106 HD3 PRO 21 1HD PRO 21 -0.968 9.127 8.474 107 H ALA 22 H ALA 22 2.880 5.649 8.404 108 HA ALA 22 HA ALA 22 4.291 6.250 10.888 109 HB1 ALA 22 1HB ALA 22 4.155 3.856 11.244 110 HB2 ALA 22 2HB ALA 22 3.472 3.659 9.629 111 HB3 ALA 22 3HB ALA 22 2.579 4.546 10.861 112 H ARG 23 H ARG 23 5.561 6.887 8.415 113 HA ARG 23 HA ARG 23 7.630 6.836 7.437 114 HB2 ARG 23 2HB ARG 23 8.393 5.257 9.890 115 HB3 ARG 23 1HB ARG 23 9.528 5.879 8.714 116 HG2 ARG 23 2HG ARG 23 8.961 8.152 9.327 117 HG3 ARG 23 1HG ARG 23 7.718 7.560 10.443 118 HD2 ARG 23 2HD ARG 23 9.431 6.368 11.716 119 HD3 ARG 23 1HD ARG 23 10.656 6.932 10.593 120 HE ARG 23 HE ARG 23 10.273 9.156 11.396 121 HH11 ARG 23 1HH1 ARG 23 8.652 6.682 13.358 122 HH12 ARG 23 2HH1 ARG 23 8.957 7.453 14.836 123 HH21 ARG 23 1HH2 ARG 23 10.672 10.230 13.426 124 HH22 ARG 23 2HH2 ARG 23 10.111 9.541 14.882 125 H SER 24 H SER 24 5.719 4.313 7.204 126 HA SER 24 HA SER 24 7.606 2.902 5.533 127 HB2 SER 24 2HB SER 24 6.173 1.548 7.822 128 HB3 SER 24 1HB SER 24 7.079 0.728 6.542 129 HG SER 24 HG SER 24 8.514 2.695 7.671 130 H CYS 25 H CYS 25 6.645 1.827 3.830 131 HA CYS 25 HA CYS 25 3.741 1.950 3.652 132 HB2 CYS 25 2HB CYS 25 5.902 1.895 1.517 133 HB3 CYS 25 1HB CYS 25 4.175 1.689 1.179 134 H VAL 26 H VAL 26 2.766 0.066 3.446 135 HA VAL 26 HA VAL 26 4.449 -2.306 3.774 136 HB VAL 26 HB VAL 26 1.632 -1.800 4.803 137 HG11 VAL 26 1HG1 VAL 26 3.803 -3.622 5.742 138 HG12 VAL 26 2HG1 VAL 26 2.367 -4.137 4.820 139 HG13 VAL 26 3HG1 VAL 26 2.201 -3.432 6.444 140 HG21 VAL 26 1HG2 VAL 26 2.997 -0.084 5.542 141 HG22 VAL 26 2HG2 VAL 26 4.210 -1.226 6.127 142 HG23 VAL 26 3HG2 VAL 26 2.578 -1.176 6.859 143 H TYR 27 H TYR 27 4.095 -3.898 2.380 144 HA TYR 27 HA TYR 27 2.214 -3.280 0.246 145 HB2 TYR 27 2HB TYR 27 4.763 -4.897 0.208 146 HB3 TYR 27 1HB TYR 27 3.657 -4.764 -1.165 147 HD1 TYR 27 1HD TYR 27 3.799 -2.961 -2.614 148 HD2 TYR 27 2HD TYR 27 5.705 -2.700 1.158 149 HE1 TYR 27 1HE TYR 27 4.798 -0.772 -3.254 150 HE2 TYR 27 2HE TYR 27 6.691 -0.557 0.537 151 HH TYR 27 HH TYR 27 7.280 0.670 -1.527 152 H TYR 28 H TYR 28 0.652 -4.515 -0.323 153 HA TYR 28 HA TYR 28 0.393 -7.134 0.917 154 HB2 TYR 28 2HB TYR 28 -1.772 -5.051 0.573 155 HB3 TYR 28 1HB TYR 28 -1.969 -6.716 1.089 156 HD1 TYR 28 1HD TYR 28 -1.452 -7.406 3.309 157 HD2 TYR 28 2HD TYR 28 -0.724 -3.386 2.120 158 HE1 TYR 28 1HE TYR 28 -1.125 -6.789 5.642 159 HE2 TYR 28 2HE TYR 28 -0.395 -2.763 4.440 160 HH TYR 28 HH TYR 28 -1.069 -3.547 6.623 161 H ASP 29 H ASP 29 -0.593 -8.574 -0.280 162 HA ASP 29 HA ASP 29 -1.144 -8.055 -3.133 163 HB2 ASP 29 2HB ASP 29 0.377 -9.906 -2.450 164 HB3 ASP 29 1HB ASP 29 -0.906 -10.546 -1.444 165 H GLY 30 H GLY 30 -3.269 -7.387 -3.286 166 HA2 GLY 30 2HA GLY 30 -5.264 -9.228 -2.442 167 HA3 GLY 30 1HA GLY 30 -5.264 -7.879 -1.348 168 H HIS 31 H HIS 31 -7.093 -9.020 -3.260 169 HA HIS 31 HA HIS 31 -7.618 -6.808 -5.094 170 HB2 HIS 31 2HB HIS 31 -9.137 -9.382 -4.595 171 HB3 HIS 31 1HB HIS 31 -9.582 -8.166 -5.792 172 HD1 HIS 31 1HD HIS 31 -8.657 -8.610 -8.125 173 HD2 HIS 31 2HD HIS 31 -6.520 -10.583 -5.157 174 HE1 HIS 31 1HE HIS 31 -6.978 -10.051 -9.303 175 H LEU 32 H LEU 32 -8.571 -8.159 -2.055 176 HA LEU 32 HA LEU 32 -10.549 -6.005 -1.648 177 HB2 LEU 32 2HB LEU 32 -10.400 -8.540 -0.036 178 HB3 LEU 32 1HB LEU 32 -11.732 -7.431 -0.179 179 HG LEU 32 HG LEU 32 -10.859 -9.451 -2.204 180 HD11 LEU 32 1HD1 LEU 32 -11.861 -10.462 -0.254 181 HD12 LEU 32 2HD1 LEU 32 -12.989 -10.556 -1.608 182 HD13 LEU 32 3HD1 LEU 32 -13.225 -9.351 -0.345 183 HD21 LEU 32 1HD2 LEU 32 -12.918 -8.910 -3.393 184 HD22 LEU 32 2HD2 LEU 32 -11.876 -7.489 -3.267 185 HD23 LEU 32 3HD2 LEU 32 -13.274 -7.670 -2.197 186 HA PRO 33 HA PRO 33 -7.651 -5.287 1.791 187 HB2 PRO 33 2HB PRO 33 -9.358 -4.133 3.597 188 HB3 PRO 33 1HB PRO 33 -8.667 -3.239 2.227 189 HG2 PRO 33 2HG PRO 33 -11.352 -4.444 2.508 190 HG3 PRO 33 1HG PRO 33 -10.884 -2.906 1.757 191 HD2 PRO 33 2HD PRO 33 -11.455 -5.104 0.291 192 HD3 PRO 33 1HD PRO 33 -10.257 -3.888 -0.216 193 H ALA 34 H ALA 34 -10.294 -7.293 1.670 194 HA ALA 34 HA ALA 34 -9.965 -8.418 4.341 195 HB1 ALA 34 1HB ALA 34 -11.828 -9.218 2.100 196 HB2 ALA 34 2HB ALA 34 -12.241 -8.174 3.462 197 HB3 ALA 34 3HB ALA 34 -11.841 -9.871 3.739 198 H THR 35 H THR 35 -8.773 -8.847 1.122 199 HA THR 35 HA THR 35 -7.768 -11.474 1.861 200 HB THR 35 HB THR 35 -7.487 -11.812 -0.645 201 HG1 THR 35 1HG THR 35 -8.984 -10.596 -1.896 202 HG21 THR 35 1HG2 THR 35 -9.208 -12.976 0.585 203 HG22 THR 35 2HG2 THR 35 -9.870 -12.441 -0.963 204 HG23 THR 35 3HG2 THR 35 -10.254 -11.563 0.516 205 H ARG 36 H ARG 36 -6.749 -8.636 2.238 206 HA ARG 36 HA ARG 36 -4.421 -8.500 0.618 207 HB2 ARG 36 2HB ARG 36 -3.676 -6.694 2.194 208 HB3 ARG 36 1HB ARG 36 -5.216 -6.400 1.408 209 HG2 ARG 36 2HG ARG 36 -6.350 -7.071 3.488 210 HG3 ARG 36 1HG ARG 36 -4.776 -7.305 4.248 211 HD2 ARG 36 2HD ARG 36 -4.264 -5.006 4.144 212 HD3 ARG 36 1HD ARG 36 -5.553 -4.685 2.985 213 HE ARG 36 HE ARG 36 -6.586 -5.717 5.406 214 HH11 ARG 36 1HH1 ARG 36 -5.198 -2.635 4.175 215 HH12 ARG 36 2HH1 ARG 36 -6.240 -1.712 5.111 216 HH21 ARG 36 1HH2 ARG 36 -7.955 -4.354 6.660 217 HH22 ARG 36 2HH2 ARG 36 -7.810 -2.649 6.540 218 H VAL 37 H VAL 37 -2.622 -9.424 0.790 219 HA VAL 37 HA VAL 37 -2.049 -11.041 3.181 220 HB VAL 37 HB VAL 37 -0.975 -11.357 0.357 221 HG11 VAL 37 1HG1 VAL 37 -0.147 -13.535 1.110 222 HG12 VAL 37 2HG1 VAL 37 -0.732 -13.194 2.736 223 HG13 VAL 37 3HG1 VAL 37 0.557 -12.210 2.039 224 HG21 VAL 37 1HG2 VAL 37 -3.343 -11.876 0.386 225 HG22 VAL 37 2HG2 VAL 37 -3.108 -12.970 1.752 226 HG23 VAL 37 3HG2 VAL 37 -2.399 -13.351 0.180 227 H LEU 38 H LEU 38 -0.438 -10.250 4.369 228 HA LEU 38 HA LEU 38 1.039 -7.997 3.567 229 HB2 LEU 38 2HB LEU 38 0.628 -8.362 5.900 230 HB3 LEU 38 1HB LEU 38 1.453 -9.906 5.855 231 HG LEU 38 HG LEU 38 3.563 -8.743 5.330 232 HD11 LEU 38 1HD1 LEU 38 1.963 -6.257 5.857 233 HD12 LEU 38 2HD1 LEU 38 2.694 -6.732 4.321 234 HD13 LEU 38 3HD1 LEU 38 3.715 -6.338 5.702 235 HD21 LEU 38 1HD2 LEU 38 3.029 -9.396 7.578 236 HD22 LEU 38 2HD2 LEU 38 2.192 -7.844 7.832 237 HD23 LEU 38 3HD2 LEU 38 3.936 -7.881 7.528 238 H LEU 39 H LEU 39 2.593 -7.916 2.253 239 HA LEU 39 HA LEU 39 4.207 -10.250 1.624 240 HB2 LEU 39 2HB LEU 39 4.177 -7.480 0.423 241 HB3 LEU 39 1HB LEU 39 5.051 -8.861 -0.219 242 HG LEU 39 HG LEU 39 2.047 -8.632 -0.014 243 HD11 LEU 39 1HD1 LEU 39 3.844 -8.518 -2.425 244 HD12 LEU 39 2HD1 LEU 39 2.925 -7.174 -1.734 245 HD13 LEU 39 3HD1 LEU 39 2.082 -8.549 -2.444 246 HD21 LEU 39 1HD2 LEU 39 2.032 -10.696 -1.324 247 HD22 LEU 39 2HD2 LEU 39 2.786 -10.903 0.260 248 HD23 LEU 39 3HD2 LEU 39 3.794 -10.778 -1.184 249 H MET 40 H MET 40 4.624 -6.891 2.639 250 HA MET 40 HA MET 40 6.754 -7.340 4.467 251 HB2 MET 40 2HB MET 40 8.603 -6.383 3.266 252 HB3 MET 40 1HB MET 40 8.086 -7.902 2.489 253 HG2 MET 40 2HG MET 40 6.977 -6.530 0.790 254 HG3 MET 40 1HG MET 40 7.517 -5.091 1.667 255 HE1 MET 40 1HE MET 40 9.444 -8.481 1.000 256 HE2 MET 40 2HE MET 40 10.329 -8.071 -0.470 257 HE3 MET 40 3HE MET 40 8.568 -8.164 -0.497 258 H TYR 41 H TYR 41 7.887 -5.488 5.094 259 HA TYR 41 HA TYR 41 6.313 -3.007 4.953 260 HB2 TYR 41 2HB TYR 41 8.334 -4.010 6.992 261 HB3 TYR 41 1HB TYR 41 7.549 -2.441 7.048 262 HD1 TYR 41 1HD TYR 41 7.071 -6.070 7.504 263 HD2 TYR 41 2HD TYR 41 5.292 -2.223 7.832 264 HE1 TYR 41 1HE TYR 41 5.239 -7.033 8.836 265 HE2 TYR 41 2HE TYR 41 3.451 -3.195 9.158 266 HH TYR 41 HH TYR 41 3.535 -6.324 10.426 267 H VAL 42 H VAL 42 7.290 -1.295 3.936 268 HA VAL 42 HA VAL 42 10.199 -1.415 3.501 269 HB VAL 42 HB VAL 42 8.171 -0.165 1.675 270 HG11 VAL 42 1HG1 VAL 42 10.340 0.916 1.568 271 HG12 VAL 42 2HG1 VAL 42 10.048 0.003 0.089 272 HG13 VAL 42 3HG1 VAL 42 11.128 -0.642 1.324 273 HG21 VAL 42 1HG2 VAL 42 9.670 -2.753 1.373 274 HG22 VAL 42 2HG2 VAL 42 8.618 -2.003 0.149 275 HG23 VAL 42 3HG2 VAL 42 7.942 -2.560 1.684 276 H ARG 43 H ARG 43 11.161 0.315 4.479 277 HA ARG 43 HA ARG 43 9.600 2.339 5.691 278 HB2 ARG 43 2HB ARG 43 11.782 1.709 6.645 279 HB3 ARG 43 1HB ARG 43 12.573 2.300 5.178 280 HG2 ARG 43 2HG ARG 43 11.654 4.542 5.624 281 HG3 ARG 43 1HG ARG 43 11.002 3.943 7.141 282 HD2 ARG 43 2HD ARG 43 13.215 3.571 7.992 283 HD3 ARG 43 1HD ARG 43 13.825 3.846 6.338 284 HE ARG 43 HE ARG 43 13.201 6.105 6.486 285 HH11 ARG 43 1HH1 ARG 43 13.018 4.541 9.642 286 HH12 ARG 43 2HH1 ARG 43 13.458 5.927 10.518 287 HH21 ARG 43 1HH2 ARG 43 13.797 7.995 7.645 288 HH22 ARG 43 2HH2 ARG 43 13.869 7.982 9.353 289 H ILE 44 H ILE 44 9.475 4.378 5.203 290 HA ILE 44 HA ILE 44 9.268 5.234 2.446 291 HB ILE 44 HB ILE 44 9.603 7.130 4.769 292 HG12 ILE 44 2HG1 ILE 44 7.912 5.449 5.155 293 HG13 ILE 44 1HG1 ILE 44 7.276 7.090 5.234 294 HG21 ILE 44 1HG2 ILE 44 8.202 7.479 2.123 295 HG22 ILE 44 2HG2 ILE 44 9.743 8.192 2.599 296 HG23 ILE 44 3HG2 ILE 44 8.257 8.681 3.414 297 HD11 ILE 44 1HD1 ILE 44 6.879 4.972 3.104 298 HD12 ILE 44 2HD1 ILE 44 6.270 6.633 2.971 299 HD13 ILE 44 3HD1 ILE 44 5.697 5.581 4.250 300 H GLY 45 H GLY 45 10.788 5.929 1.216 301 HA2 GLY 45 2HA GLY 45 12.695 7.191 0.570 302 HA3 GLY 45 1HA GLY 45 13.182 7.258 2.266 303 H ASN 46 H ASN 46 12.135 4.243 1.222 304 HA ASN 46 HA ASN 46 14.850 3.304 0.644 305 HB2 ASN 46 2HB ASN 46 14.368 2.822 2.918 306 HB3 ASN 46 1HB ASN 46 12.811 2.114 2.424 307 HD21 ASN 46 1HD2 ASN 46 13.392 0.036 3.456 308 HD22 ASN 46 2HD2 ASN 46 14.597 -0.958 2.752 309 H THR 47 H THR 47 14.847 1.387 -0.482 310 HA THR 47 HA THR 47 12.525 1.064 -2.257 311 HB THR 47 HB THR 47 14.166 0.062 -3.792 312 HG1 THR 47 1HG THR 47 16.275 1.525 -2.740 313 HG21 THR 47 1HG2 THR 47 13.324 2.308 -4.187 314 HG22 THR 47 2HG2 THR 47 15.018 2.235 -4.653 315 HG23 THR 47 3HG2 THR 47 14.554 2.987 -3.123 316 H ALA 48 H ALA 48 12.071 -1.002 -2.927 317 HA ALA 48 HA ALA 48 13.400 -3.211 -1.567 318 HB1 ALA 48 1HB ALA 48 11.407 -4.141 -0.560 319 HB2 ALA 48 2HB ALA 48 10.458 -2.772 -1.139 320 HB3 ALA 48 3HB ALA 48 11.721 -2.522 0.068 321 H THR 49 H THR 49 12.991 -5.210 -2.390 322 HA THR 49 HA THR 49 11.835 -5.256 -5.077 323 HB THR 49 HB THR 49 13.651 -7.264 -3.693 324 HG1 THR 49 1HG THR 49 14.712 -5.277 -3.929 325 HG21 THR 49 1HG2 THR 49 13.000 -6.821 -6.613 326 HG22 THR 49 2HG2 THR 49 12.368 -8.130 -5.615 327 HG23 THR 49 3HG2 THR 49 14.093 -8.046 -5.968 328 H ILE 50 H ILE 50 9.734 -5.915 -4.969 329 HA ILE 50 HA ILE 50 8.848 -7.698 -2.792 330 HB ILE 50 HB ILE 50 7.106 -6.679 -5.011 331 HG12 ILE 50 2HG1 ILE 50 8.176 -4.626 -4.239 332 HG13 ILE 50 1HG1 ILE 50 6.482 -4.668 -3.732 333 HG21 ILE 50 1HG2 ILE 50 5.349 -6.745 -3.305 334 HG22 ILE 50 2HG2 ILE 50 6.539 -7.303 -2.130 335 HG23 ILE 50 3HG2 ILE 50 6.155 -8.297 -3.537 336 HD11 ILE 50 1HD1 ILE 50 7.201 -5.316 -1.510 337 HD12 ILE 50 2HD1 ILE 50 7.923 -3.775 -2.024 338 HD13 ILE 50 3HD1 ILE 50 8.879 -5.266 -2.059 339 H THR 51 H THR 51 9.259 -9.830 -3.389 340 HA THR 51 HA THR 51 8.530 -10.469 -6.152 341 HB THR 51 HB THR 51 9.609 -12.299 -3.973 342 HG1 THR 51 1HG THR 51 10.961 -11.785 -6.352 343 HG21 THR 51 1HG2 THR 51 9.152 -12.877 -6.908 344 HG22 THR 51 2HG2 THR 51 8.193 -13.519 -5.577 345 HG23 THR 51 3HG2 THR 51 9.892 -13.976 -5.741 346 H ALA 52 H ALA 52 6.541 -10.998 -6.624 347 HA ALA 52 HA ALA 52 4.841 -12.353 -4.697 348 HB1 ALA 52 1HB ALA 52 4.139 -9.698 -5.971 349 HB2 ALA 52 2HB ALA 52 4.405 -9.992 -4.255 350 HB3 ALA 52 3HB ALA 52 3.018 -10.713 -5.065 351 H ARG 53 H ARG 53 3.971 -13.943 -5.723 352 HA ARG 53 HA ARG 53 3.109 -15.307 -7.241 353 HB2 ARG 53 2HB ARG 53 2.433 -12.784 -8.770 354 HB3 ARG 53 1HB ARG 53 1.781 -14.397 -9.106 355 HG2 ARG 53 2HG ARG 53 0.776 -14.432 -6.870 356 HG3 ARG 53 1HG ARG 53 1.396 -12.795 -6.586 357 HD2 ARG 53 2HD ARG 53 -0.937 -12.686 -7.213 358 HD3 ARG 53 1HD ARG 53 0.059 -12.004 -8.490 359 HE ARG 53 HE ARG 53 -0.162 -14.223 -9.589 360 HH11 ARG 53 1HH1 ARG 53 -2.700 -12.995 -7.453 361 HH12 ARG 53 2HH1 ARG 53 -3.938 -13.914 -8.174 362 HH21 ARG 53 1HH2 ARG 53 -1.840 -15.455 -10.582 363 HH22 ARG 53 2HH2 ARG 53 -3.441 -15.342 -10.003 364 H GLY 54 H GLY 54 5.816 -14.406 -7.346 365 HA2 GLY 54 2HA GLY 54 7.593 -15.432 -8.530 366 HA3 GLY 54 1HA GLY 54 6.501 -15.657 -9.901 367 H HIS 55 H HIS 55 6.080 -12.542 -8.944 368 HA HIS 55 HA HIS 55 8.062 -11.622 -10.913 369 HB2 HIS 55 2HB HIS 55 5.413 -10.424 -10.081 370 HB3 HIS 55 1HB HIS 55 6.584 -9.617 -11.129 371 HD1 HIS 55 1HD HIS 55 6.460 -10.179 -13.579 372 HD2 HIS 55 2HD HIS 55 4.149 -12.705 -11.234 373 HE1 HIS 55 1HE HIS 55 4.992 -11.480 -15.185 374 H GLU 56 H GLU 56 9.660 -10.289 -10.191 375 HA GLU 56 HA GLU 56 9.486 -9.115 -7.575 376 HB2 GLU 56 2HB GLU 56 11.570 -8.924 -9.743 377 HB3 GLU 56 1HB GLU 56 11.626 -7.941 -8.295 378 HG2 GLU 56 2HG GLU 56 13.076 -9.734 -7.868 379 HG3 GLU 56 1HG GLU 56 11.559 -10.076 -7.035 380 H PHE 57 H PHE 57 8.608 -7.238 -7.179 381 HA PHE 57 HA PHE 57 8.396 -5.236 -9.307 382 HB2 PHE 57 2HB PHE 57 6.866 -5.556 -6.699 383 HB3 PHE 57 1HB PHE 57 6.592 -4.307 -7.909 384 HD1 PHE 57 1HD PHE 57 5.788 -7.615 -6.802 385 HD2 PHE 57 2HD PHE 57 5.708 -5.012 -10.168 386 HE1 PHE 57 1HE PHE 57 4.094 -9.047 -7.872 387 HE2 PHE 57 2HE PHE 57 4.015 -6.442 -11.236 388 HZ PHE 57 HZ PHE 57 3.207 -8.463 -10.071 389 H GLU 58 H GLU 58 10.173 -3.935 -9.031 390 HA GLU 58 HA GLU 58 11.188 -3.676 -6.321 391 HB2 GLU 58 2HB GLU 58 12.757 -4.172 -8.253 392 HB3 GLU 58 1HB GLU 58 12.369 -2.569 -8.878 393 HG2 GLU 58 2HG GLU 58 13.193 -1.610 -6.757 394 HG3 GLU 58 1HG GLU 58 13.680 -3.254 -6.342 395 H VAL 59 H VAL 59 10.387 -2.172 -5.187 396 HA VAL 59 HA VAL 59 9.118 0.186 -6.450 397 HB VAL 59 HB VAL 59 7.779 0.339 -4.377 398 HG11 VAL 59 1HG1 VAL 59 6.737 -0.822 -6.192 399 HG12 VAL 59 2HG1 VAL 59 6.389 -1.697 -4.695 400 HG13 VAL 59 3HG1 VAL 59 7.620 -2.300 -5.808 401 HG21 VAL 59 1HG2 VAL 59 9.361 -0.696 -2.936 402 HG22 VAL 59 2HG2 VAL 59 9.115 -2.241 -3.767 403 HG23 VAL 59 3HG2 VAL 59 7.779 -1.512 -2.827 404 H GLU 60 H GLU 60 9.108 2.067 -5.253 405 HA GLU 60 HA GLU 60 11.287 2.365 -3.323 406 HB2 GLU 60 2HB GLU 60 11.884 3.331 -5.583 407 HB3 GLU 60 1HB GLU 60 10.480 4.395 -5.427 408 HG2 GLU 60 2HG GLU 60 11.479 5.447 -3.484 409 HG3 GLU 60 1HG GLU 60 12.852 4.346 -3.562 410 H ALA 61 H ALA 61 10.338 2.886 -1.477 411 HA ALA 61 HA ALA 61 7.626 3.900 -1.493 412 HB1 ALA 61 1HB ALA 61 7.797 3.935 0.965 413 HB2 ALA 61 2HB ALA 61 9.517 3.562 0.848 414 HB3 ALA 61 3HB ALA 61 8.321 2.383 0.313 415 H LYS 62 H LYS 62 7.714 5.708 -2.534 416 HA LYS 62 HA LYS 62 9.609 7.779 -2.399 417 HB2 LYS 62 2HB LYS 62 6.726 8.057 -3.216 418 HB3 LYS 62 1HB LYS 62 8.075 9.050 -3.721 419 HG2 LYS 62 2HG LYS 62 7.701 6.145 -4.427 420 HG3 LYS 62 1HG LYS 62 7.249 7.516 -5.448 421 HD2 LYS 62 2HD LYS 62 10.047 6.843 -4.526 422 HD3 LYS 62 1HD LYS 62 9.381 6.444 -6.105 423 HE2 LYS 62 2HE LYS 62 9.025 8.887 -6.482 424 HE3 LYS 62 1HE LYS 62 9.862 9.189 -4.962 425 HZ1 LYS 62 1HZ LYS 62 11.799 8.025 -5.880 426 HZ2 LYS 62 2HZ LYS 62 11.397 9.416 -6.750 427 HZ3 LYS 62 3HZ LYS 62 11.026 7.903 -7.381 428 H ASP 63 H ASP 63 6.304 7.643 -1.133 429 HA ASP 63 HA ASP 63 6.937 9.501 0.987 430 HB2 ASP 63 2HB ASP 63 6.378 11.082 -0.725 431 HB3 ASP 63 1HB ASP 63 5.017 10.109 -1.260 432 H GLN 64 H GLN 64 4.922 9.807 2.362 433 HA GLN 64 HA GLN 64 4.097 7.178 3.151 434 HB2 GLN 64 2HB GLN 64 3.319 9.814 4.380 435 HB3 GLN 64 1HB GLN 64 3.283 8.213 5.099 436 HG2 GLN 64 2HG GLN 64 5.622 8.009 5.096 437 HG3 GLN 64 1HG GLN 64 5.845 9.469 4.142 438 HE21 GLN 64 1HE2 GLN 64 7.079 8.804 6.659 439 HE22 GLN 64 2HE2 GLN 64 6.595 10.002 7.784 440 H ASN 65 H ASN 65 2.858 8.882 0.756 441 HA ASN 65 HA ASN 65 0.060 8.586 1.330 442 HB2 ASN 65 2HB ASN 65 -0.307 9.021 -1.049 443 HB3 ASN 65 1HB ASN 65 0.810 10.214 -0.384 444 HD21 ASN 65 1HD2 ASN 65 2.920 10.241 -1.124 445 HD22 ASN 65 2HD2 ASN 65 3.429 9.391 -2.529 446 H CYS 66 H CYS 66 2.657 6.687 0.366 447 HA CYS 66 HA CYS 66 3.017 4.653 -0.245 448 HB2 CYS 66 2HB CYS 66 0.736 4.094 1.615 449 HB3 CYS 66 1HB CYS 66 1.873 2.888 1.000 450 H LYS 67 H LYS 67 2.073 5.591 -2.385 451 HA LYS 67 HA LYS 67 0.274 3.527 -3.369 452 HB2 LYS 67 2HB LYS 67 1.211 6.062 -4.339 453 HB3 LYS 67 1HB LYS 67 1.152 4.847 -5.628 454 HG2 LYS 67 2HG LYS 67 -0.848 6.246 -5.571 455 HG3 LYS 67 1HG LYS 67 -1.261 4.593 -5.120 456 HD2 LYS 67 2HD LYS 67 -0.393 6.104 -2.940 457 HD3 LYS 67 1HD LYS 67 -1.858 6.894 -3.628 458 HE2 LYS 67 2HE LYS 67 -2.915 4.594 -3.374 459 HE3 LYS 67 1HE LYS 67 -1.392 4.099 -2.617 460 HZ1 LYS 67 1HZ LYS 67 -3.176 6.231 -1.584 461 HZ2 LYS 67 2HZ LYS 67 -1.766 5.691 -0.852 462 HZ3 LYS 67 3HZ LYS 67 -3.107 4.670 -0.967 463 H VAL 68 H VAL 68 0.933 2.245 -5.006 464 HA VAL 68 HA VAL 68 3.638 1.368 -4.498 465 HB VAL 68 HB VAL 68 2.075 -0.462 -4.598 466 HG11 VAL 68 1HG1 VAL 68 0.890 -1.118 -6.631 467 HG12 VAL 68 2HG1 VAL 68 1.485 0.332 -7.440 468 HG13 VAL 68 3HG1 VAL 68 0.383 0.477 -6.071 469 HG21 VAL 68 1HG2 VAL 68 4.342 -0.919 -5.359 470 HG22 VAL 68 2HG2 VAL 68 3.878 -0.523 -7.009 471 HG23 VAL 68 3HG2 VAL 68 3.173 -1.923 -6.209 472 H ILE 69 H ILE 69 5.085 2.540 -5.276 473 HA ILE 69 HA ILE 69 4.965 3.244 -8.111 474 HB ILE 69 HB ILE 69 6.373 4.718 -5.848 475 HG12 ILE 69 2HG1 ILE 69 4.049 5.570 -7.570 476 HG13 ILE 69 1HG1 ILE 69 3.868 4.827 -5.989 477 HG21 ILE 69 1HG2 ILE 69 6.883 6.422 -7.552 478 HG22 ILE 69 2HG2 ILE 69 6.146 5.410 -8.792 479 HG23 ILE 69 3HG2 ILE 69 7.612 4.872 -7.978 480 HD11 ILE 69 1HD1 ILE 69 5.236 7.448 -6.592 481 HD12 ILE 69 2HD1 ILE 69 5.031 6.743 -4.987 482 HD13 ILE 69 3HD1 ILE 69 3.620 7.264 -5.913 483 H LEU 70 H LEU 70 6.328 2.218 -9.274 484 HA LEU 70 HA LEU 70 8.266 0.544 -8.035 485 HB2 LEU 70 2HB LEU 70 7.411 0.885 -10.887 486 HB3 LEU 70 1HB LEU 70 8.704 -0.187 -10.398 487 HG LEU 70 HG LEU 70 6.719 -1.434 -10.764 488 HD11 LEU 70 1HD1 LEU 70 7.463 -1.329 -7.910 489 HD12 LEU 70 2HD1 LEU 70 8.054 -2.410 -9.175 490 HD13 LEU 70 3HD1 LEU 70 6.378 -2.513 -8.618 491 HD21 LEU 70 1HD2 LEU 70 5.390 0.296 -8.706 492 HD22 LEU 70 2HD2 LEU 70 4.722 -1.196 -9.353 493 HD23 LEU 70 3HD2 LEU 70 4.980 0.190 -10.420 494 H THR 71 H THR 71 10.323 0.483 -8.611 495 HA THR 71 HA THR 71 11.722 2.972 -8.472 496 HB THR 71 HB THR 71 13.779 1.651 -8.980 497 HG1 THR 71 1HG THR 71 13.492 -0.607 -9.263 498 HG21 THR 71 1HG2 THR 71 12.822 1.878 -6.750 499 HG22 THR 71 2HG2 THR 71 13.623 0.303 -6.986 500 HG23 THR 71 3HG2 THR 71 11.849 0.433 -7.055 501 H ASN 72 H ASN 72 10.772 1.019 -11.089 502 HA ASN 72 HA ASN 72 12.311 2.666 -12.910 503 HB2 ASN 72 2HB ASN 72 11.783 0.761 -14.609 504 HB3 ASN 72 1HB ASN 72 13.126 0.630 -13.472 505 HD21 ASN 72 1HD2 ASN 72 11.773 -0.430 -11.182 506 HD22 ASN 72 2HD2 ASN 72 11.080 -1.929 -11.647 507 H GLY 73 H GLY 73 9.522 2.513 -11.650 508 HA2 GLY 73 2HA GLY 73 7.840 4.122 -12.051 509 HA3 GLY 73 1HA GLY 73 8.504 4.356 -13.675 510 H LYS 74 H LYS 74 8.282 1.227 -13.056 511 HA LYS 74 HA LYS 74 6.533 0.521 -14.954 512 HB2 LYS 74 2HB LYS 74 7.558 -0.873 -12.551 513 HB3 LYS 74 1HB LYS 74 6.448 -1.685 -13.652 514 HG2 LYS 74 2HG LYS 74 8.802 -0.285 -14.715 515 HG3 LYS 74 1HG LYS 74 9.058 -1.833 -13.938 516 HD2 LYS 74 2HD LYS 74 7.300 -2.775 -15.510 517 HD3 LYS 74 1HD LYS 74 7.222 -1.193 -16.277 518 HE2 LYS 74 2HE LYS 74 9.555 -1.387 -16.940 519 HE3 LYS 74 1HE LYS 74 9.666 -2.948 -16.131 520 HZ1 LYS 74 1HZ LYS 74 7.956 -3.783 -17.666 521 HZ2 LYS 74 2HZ LYS 74 9.327 -3.280 -18.473 522 HZ3 LYS 74 3HZ LYS 74 7.941 -2.306 -18.470 523 H GLN 75 H GLN 75 4.661 -0.646 -14.863 524 HA GLN 75 HA GLN 75 2.552 0.454 -13.227 525 HB2 GLN 75 2HB GLN 75 2.252 0.161 -15.630 526 HB3 GLN 75 1HB GLN 75 2.555 -1.562 -15.485 527 HG2 GLN 75 2HG GLN 75 0.526 -1.725 -14.057 528 HG3 GLN 75 1HG GLN 75 0.218 -0.023 -14.391 529 HE21 GLN 75 1HE2 GLN 75 1.228 -0.325 -17.167 530 HE22 GLN 75 2HE2 GLN 75 -0.047 -1.116 -18.014 531 H ALA 76 H ALA 76 1.807 -0.583 -11.486 532 HA ALA 76 HA ALA 76 2.528 -3.395 -11.143 533 HB1 ALA 76 1HB ALA 76 2.115 -1.190 -9.132 534 HB2 ALA 76 2HB ALA 76 3.378 -2.449 -9.216 535 HB3 ALA 76 3HB ALA 76 1.766 -2.852 -8.718 536 HA PRO 77 HA PRO 77 -1.673 -4.792 -11.832 537 HB2 PRO 77 2HB PRO 77 -0.993 -6.372 -9.420 538 HB3 PRO 77 1HB PRO 77 -1.687 -6.904 -10.970 539 HG2 PRO 77 2HG PRO 77 0.806 -7.401 -10.459 540 HG3 PRO 77 1HG PRO 77 0.325 -6.810 -12.074 541 HD2 PRO 77 2HD PRO 77 1.702 -5.361 -9.878 542 HD3 PRO 77 1HD PRO 77 1.879 -5.220 -11.646 543 H ASP 78 H ASP 78 -3.629 -4.745 -10.989 544 HA ASP 78 HA ASP 78 -4.420 -2.663 -9.329 545 HB2 ASP 78 2HB ASP 78 -5.960 -5.183 -9.990 546 HB3 ASP 78 1HB ASP 78 -6.652 -3.700 -9.357 547 H TRP 79 H TRP 79 -3.759 -5.991 -8.614 548 HA TRP 79 HA TRP 79 -4.905 -5.938 -5.984 549 HB2 TRP 79 2HB TRP 79 -3.993 -8.271 -5.830 550 HB3 TRP 79 1HB TRP 79 -5.040 -7.980 -7.218 551 HD1 TRP 79 HD TRP 79 -4.072 -8.376 -9.517 552 HE1 TRP 79 1HE TRP 79 -1.862 -9.338 -10.427 553 HE3 TRP 79 3HE TRP 79 -1.318 -8.273 -5.218 554 HZ2 TRP 79 2HZ TRP 79 0.719 -9.922 -9.456 555 HZ3 TRP 79 3HZ TRP 79 1.016 -9.028 -5.301 556 HH2 TRP 79 HH TRP 79 2.011 -9.841 -7.369 557 H LEU 80 H LEU 80 -1.934 -4.816 -7.167 558 HA LEU 80 HA LEU 80 -0.480 -5.646 -4.830 559 HB2 LEU 80 2HB LEU 80 0.525 -5.552 -7.114 560 HB3 LEU 80 1HB LEU 80 0.371 -3.794 -7.069 561 HG LEU 80 HG LEU 80 1.898 -3.722 -5.171 562 HD11 LEU 80 1HD1 LEU 80 2.075 -6.670 -5.667 563 HD12 LEU 80 2HD1 LEU 80 1.430 -5.886 -4.205 564 HD13 LEU 80 3HD1 LEU 80 3.163 -5.765 -4.610 565 HD21 LEU 80 1HD2 LEU 80 2.968 -5.282 -7.522 566 HD22 LEU 80 2HD2 LEU 80 3.958 -4.461 -6.321 567 HD23 LEU 80 3HD2 LEU 80 2.911 -3.525 -7.373 568 H ALA 81 H ALA 81 -0.894 -4.612 -3.021 569 HA ALA 81 HA ALA 81 -1.725 -1.798 -3.160 570 HB1 ALA 81 1HB ALA 81 -2.855 -2.125 -1.071 571 HB2 ALA 81 2HB ALA 81 -2.284 -3.779 -0.979 572 HB3 ALA 81 3HB ALA 81 -3.438 -3.312 -2.245 573 H ALA 82 H ALA 82 -1.138 -0.440 -1.521 574 HA ALA 82 HA ALA 82 0.978 -1.165 0.320 575 HB1 ALA 82 1HB ALA 82 2.183 -0.278 -1.648 576 HB2 ALA 82 2HB ALA 82 2.287 0.832 -0.276 577 HB3 ALA 82 3HB ALA 82 1.173 1.170 -1.596 578 H GLU 83 H GLU 83 0.697 -0.115 2.243 579 HA GLU 83 HA GLU 83 -0.762 2.361 2.419 580 HB2 GLU 83 2HB GLU 83 -2.266 1.325 4.208 581 HB3 GLU 83 1HB GLU 83 -2.623 0.790 2.566 582 HG2 GLU 83 2HG GLU 83 -1.408 -1.265 3.022 583 HG3 GLU 83 1HG GLU 83 -1.042 -0.682 4.646 584 HA PRO 84 HA PRO 84 2.438 2.458 5.493 585 HB2 PRO 84 2HB PRO 84 1.786 4.501 7.090 586 HB3 PRO 84 1HB PRO 84 2.056 4.743 5.392 587 HG2 PRO 84 2HG PRO 84 -0.625 4.278 6.609 588 HG3 PRO 84 1HG PRO 84 -0.072 5.681 5.654 589 HD2 PRO 84 2HD PRO 84 -1.300 3.734 4.351 590 HD3 PRO 84 1HD PRO 84 0.218 4.465 3.748 591 H TYR 85 H TYR 85 2.981 1.806 7.530 592 HA TYR 85 HA TYR 85 1.329 -0.308 8.385 593 HB2 TYR 85 2HB TYR 85 3.232 -1.312 8.894 594 HB3 TYR 85 1HB TYR 85 3.980 0.051 8.190 595 HD1 TYR 85 1HD TYR 85 3.011 -1.572 11.341 596 HD2 TYR 85 2HD TYR 85 5.331 1.556 9.640 597 HE1 TYR 85 1HE TYR 85 4.194 -1.312 13.468 598 HE2 TYR 85 2HE TYR 85 6.523 1.831 11.770 599 HH TYR 85 HH TYR 85 6.216 1.344 14.114 Start of MODEL 9 1 H SER 7 1HT SER 7 -22.086 -9.226 12.637 2 HA SER 7 HA SER 7 -20.768 -10.730 10.485 3 HB2 SER 7 2HB SER 7 -23.290 -10.678 10.337 4 HB3 SER 7 1HB SER 7 -23.209 -8.927 10.430 5 HG SER 7 HG SER 7 -22.454 -10.641 8.334 6 H GLY 8 H GLY 8 -19.645 -9.351 9.043 7 HA2 GLY 8 2HA GLY 8 -18.816 -6.812 10.189 8 HA3 GLY 8 1HA GLY 8 -18.135 -7.598 8.756 9 H ARG 9 H ARG 9 -19.823 -4.988 9.641 10 HA ARG 9 HA ARG 9 -21.707 -5.101 7.437 11 HB2 ARG 9 2HB ARG 9 -21.551 -3.289 9.815 12 HB3 ARG 9 1HB ARG 9 -22.622 -2.978 8.458 13 HG2 ARG 9 2HG ARG 9 -23.637 -5.211 8.818 14 HG3 ARG 9 1HG ARG 9 -22.648 -5.380 10.270 15 HD2 ARG 9 2HD ARG 9 -24.898 -4.588 10.807 16 HD3 ARG 9 1HD ARG 9 -23.673 -3.378 11.198 17 HE ARG 9 HE ARG 9 -24.313 -2.487 8.852 18 HH11 ARG 9 1HH1 ARG 9 -26.626 -3.882 11.138 19 HH12 ARG 9 2HH1 ARG 9 -27.886 -2.841 10.638 20 HH21 ARG 9 1HH2 ARG 9 -25.969 -1.138 8.227 21 HH22 ARG 9 2HH2 ARG 9 -27.536 -1.271 8.910 22 H GLU 10 H GLU 10 -22.198 -2.754 6.691 23 HA GLU 10 HA GLU 10 -20.894 -1.997 4.560 24 HB2 GLU 10 2HB GLU 10 -21.681 0.171 6.506 25 HB3 GLU 10 1HB GLU 10 -21.587 0.279 4.769 26 HG2 GLU 10 2HG GLU 10 -23.874 0.274 5.398 27 HG3 GLU 10 1HG GLU 10 -23.517 -1.277 4.639 28 H ASN 11 H ASN 11 -18.759 -1.946 4.285 29 HA ASN 11 HA ASN 11 -17.077 -0.627 6.210 30 HB2 ASN 11 2HB ASN 11 -16.479 -2.199 3.762 31 HB3 ASN 11 1HB ASN 11 -15.266 -1.060 4.333 32 HD21 ASN 11 1HD2 ASN 11 -15.252 -3.990 4.229 33 HD22 ASN 11 2HD2 ASN 11 -14.964 -4.510 5.849 34 H LEU 12 H LEU 12 -17.680 1.444 6.251 35 HA LEU 12 HA LEU 12 -16.906 2.906 3.856 36 HB2 LEU 12 2HB LEU 12 -18.485 4.657 4.286 37 HB3 LEU 12 1HB LEU 12 -19.349 3.146 4.234 38 HG LEU 12 HG LEU 12 -18.612 4.550 6.793 39 HD11 LEU 12 1HD1 LEU 12 -20.042 5.998 5.447 40 HD12 LEU 12 2HD1 LEU 12 -20.948 5.351 6.815 41 HD13 LEU 12 3HD1 LEU 12 -21.179 4.675 5.203 42 HD21 LEU 12 1HD2 LEU 12 -19.156 2.181 7.069 43 HD22 LEU 12 2HD2 LEU 12 -20.670 2.416 6.197 44 HD23 LEU 12 3HD2 LEU 12 -20.420 3.195 7.760 45 H TYR 13 H TYR 13 -15.120 3.892 4.151 46 HA TYR 13 HA TYR 13 -14.517 4.789 6.829 47 HB2 TYR 13 2HB TYR 13 -12.158 5.171 6.024 48 HB3 TYR 13 1HB TYR 13 -12.675 3.500 6.034 49 HD1 TYR 13 1HD TYR 13 -13.234 2.410 3.821 50 HD2 TYR 13 2HD TYR 13 -11.331 6.207 4.084 51 HE1 TYR 13 1HE TYR 13 -12.413 2.150 1.525 52 HE2 TYR 13 2HE TYR 13 -10.512 5.959 1.778 53 HH TYR 13 HH TYR 13 -11.639 3.528 -0.310 54 H PHE 14 H PHE 14 -15.398 6.549 7.222 55 HA PHE 14 HA PHE 14 -15.834 8.489 5.125 56 HB2 PHE 14 2HB PHE 14 -17.447 7.577 7.084 57 HB3 PHE 14 1HB PHE 14 -16.737 8.944 7.931 58 HD1 PHE 14 1HD PHE 14 -17.960 8.338 4.460 59 HD2 PHE 14 2HD PHE 14 -18.158 10.757 7.950 60 HE1 PHE 14 1HE PHE 14 -19.587 9.802 3.344 61 HE2 PHE 14 2HE PHE 14 -19.784 12.228 6.837 62 HZ PHE 14 HZ PHE 14 -20.495 11.750 4.537 63 H GLN 15 H GLN 15 -15.561 10.933 6.356 64 HA GLN 15 HA GLN 15 -12.713 10.881 6.452 65 HB2 GLN 15 2HB GLN 15 -14.546 13.244 6.368 66 HB3 GLN 15 1HB GLN 15 -12.792 13.356 6.409 67 HG2 GLN 15 2HG GLN 15 -12.639 12.059 4.363 68 HG3 GLN 15 1HG GLN 15 -14.395 11.926 4.316 69 HE21 GLN 15 1HE2 GLN 15 -15.598 13.768 3.819 70 HE22 GLN 15 2HE2 GLN 15 -14.918 15.136 3.035 71 H GLY 16 H GLY 16 -12.190 9.974 8.155 72 HA2 GLY 16 2HA GLY 16 -12.006 11.662 10.553 73 HA3 GLY 16 1HA GLY 16 -12.314 9.914 10.680 74 H HIS 17 H HIS 17 -9.864 11.764 11.240 75 HA HIS 17 HA HIS 17 -8.054 10.799 9.250 76 HB2 HIS 17 2HB HIS 17 -7.586 12.624 11.588 77 HB3 HIS 17 1HB HIS 17 -6.324 12.132 10.459 78 HD1 HIS 17 1HD HIS 17 -8.882 14.686 10.908 79 HD2 HIS 17 2HD HIS 17 -6.976 12.858 7.705 80 HE1 HIS 17 1HE HIS 17 -9.309 16.156 8.918 81 H MET 18 H MET 18 -6.556 9.430 9.310 82 HA MET 18 HA MET 18 -6.413 7.464 11.429 83 HB2 MET 18 2HB MET 18 -6.335 6.858 8.988 84 HB3 MET 18 1HB MET 18 -4.851 7.780 8.843 85 HG2 MET 18 2HG MET 18 -3.788 6.211 10.460 86 HG3 MET 18 1HG MET 18 -5.266 5.257 10.443 87 HE1 MET 18 1HE MET 18 -3.492 7.120 7.412 88 HE2 MET 18 2HE MET 18 -2.470 5.821 6.806 89 HE3 MET 18 3HE MET 18 -2.170 6.502 8.402 90 H ALA 19 H ALA 19 -4.224 6.983 12.371 91 HA ALA 19 HA ALA 19 -2.925 9.252 13.337 92 HB1 ALA 19 1HB ALA 19 -1.363 7.644 14.282 93 HB2 ALA 19 2HB ALA 19 -2.068 6.366 13.287 94 HB3 ALA 19 3HB ALA 19 -3.030 7.138 14.545 95 H ALA 20 H ALA 20 -0.710 9.650 13.121 96 HA ALA 20 HA ALA 20 0.115 10.383 10.583 97 HB1 ALA 20 1HB ALA 20 1.831 9.893 13.019 98 HB2 ALA 20 2HB ALA 20 0.992 11.392 12.627 99 HB3 ALA 20 3HB ALA 20 2.310 10.826 11.604 100 HA PRO 21 HA PRO 21 1.257 6.507 8.612 101 HB2 PRO 21 2HB PRO 21 3.067 8.448 7.219 102 HB3 PRO 21 1HB PRO 21 2.026 7.186 6.518 103 HG2 PRO 21 2HG PRO 21 1.255 9.681 6.400 104 HG3 PRO 21 1HG PRO 21 0.092 8.399 6.796 105 HD2 PRO 21 2HD PRO 21 1.305 10.432 8.586 106 HD3 PRO 21 1HD PRO 21 -0.300 9.675 8.638 107 H ALA 22 H ALA 22 2.557 5.118 9.431 108 HA ALA 22 HA ALA 22 4.572 5.655 11.296 109 HB1 ALA 22 1HB ALA 22 4.702 3.236 11.415 110 HB2 ALA 22 2HB ALA 22 3.807 3.150 9.893 111 HB3 ALA 22 3HB ALA 22 3.023 3.803 11.323 112 H ARG 23 H ARG 23 5.334 6.572 8.680 113 HA ARG 23 HA ARG 23 7.165 6.743 7.299 114 HB2 ARG 23 2HB ARG 23 8.472 5.668 9.790 115 HB3 ARG 23 1HB ARG 23 9.337 6.403 8.444 116 HG2 ARG 23 2HG ARG 23 8.286 8.513 8.837 117 HG3 ARG 23 1HG ARG 23 7.202 7.804 10.035 118 HD2 ARG 23 2HD ARG 23 10.204 7.914 10.288 119 HD3 ARG 23 1HD ARG 23 9.092 9.056 11.044 120 HE ARG 23 HE ARG 23 8.103 6.948 12.078 121 HH11 ARG 23 1HH1 ARG 23 11.584 7.376 11.507 122 HH12 ARG 23 2HH1 ARG 23 12.025 6.303 12.760 123 HH21 ARG 23 1HH2 ARG 23 8.730 5.537 13.759 124 HH22 ARG 23 2HH2 ARG 23 10.370 5.195 14.043 125 H SER 24 H SER 24 5.711 4.184 7.086 126 HA SER 24 HA SER 24 7.584 2.818 5.395 127 HB2 SER 24 2HB SER 24 6.400 1.554 7.851 128 HB3 SER 24 1HB SER 24 7.070 0.579 6.545 129 HG SER 24 HG SER 24 8.633 2.636 7.539 130 H CYS 25 H CYS 25 6.440 1.855 3.663 131 HA CYS 25 HA CYS 25 3.529 1.767 3.900 132 HB2 CYS 25 2HB CYS 25 5.352 1.937 1.475 133 HB3 CYS 25 1HB CYS 25 3.602 1.702 1.396 134 H VAL 26 H VAL 26 2.665 -0.231 3.728 135 HA VAL 26 HA VAL 26 4.576 -2.453 3.535 136 HB VAL 26 HB VAL 26 1.827 -2.509 4.800 137 HG11 VAL 26 1HG1 VAL 26 4.332 -4.044 5.332 138 HG12 VAL 26 2HG1 VAL 26 2.915 -4.660 4.438 139 HG13 VAL 26 3HG1 VAL 26 2.791 -4.223 6.160 140 HG21 VAL 26 1HG2 VAL 26 2.985 -0.688 5.723 141 HG22 VAL 26 2HG2 VAL 26 4.379 -1.718 6.083 142 HG23 VAL 26 3HG2 VAL 26 2.808 -2.007 6.874 143 H TYR 27 H TYR 27 4.288 -3.787 1.901 144 HA TYR 27 HA TYR 27 2.123 -3.176 0.095 145 HB2 TYR 27 2HB TYR 27 4.749 -4.603 -0.308 146 HB3 TYR 27 1HB TYR 27 3.501 -4.526 -1.554 147 HD1 TYR 27 1HD TYR 27 5.260 -2.188 0.774 148 HD2 TYR 27 2HD TYR 27 3.723 -2.845 -3.116 149 HE1 TYR 27 1HE TYR 27 6.052 0.030 0.125 150 HE2 TYR 27 2HE TYR 27 4.527 -0.594 -3.798 151 HH TYR 27 HH TYR 27 5.033 1.605 -2.673 152 H TYR 28 H TYR 28 0.605 -4.466 -0.476 153 HA TYR 28 HA TYR 28 0.469 -7.129 0.724 154 HB2 TYR 28 2HB TYR 28 -1.795 -5.138 0.380 155 HB3 TYR 28 1HB TYR 28 -1.897 -6.823 0.827 156 HD1 TYR 28 1HD TYR 28 -2.092 -7.384 3.050 157 HD2 TYR 28 2HD TYR 28 -0.303 -3.627 2.101 158 HE1 TYR 28 1HE TYR 28 -2.037 -6.825 5.406 159 HE2 TYR 28 2HE TYR 28 -0.238 -3.083 4.464 160 HH TYR 28 HH TYR 28 -1.488 -3.679 6.500 161 H ASP 29 H ASP 29 -1.154 -8.393 -0.335 162 HA ASP 29 HA ASP 29 -1.411 -7.968 -3.264 163 HB2 ASP 29 2HB ASP 29 0.147 -9.807 -2.810 164 HB3 ASP 29 1HB ASP 29 -0.986 -10.474 -1.637 165 H GLY 30 H GLY 30 -3.500 -7.229 -3.259 166 HA2 GLY 30 2HA GLY 30 -5.508 -9.153 -2.787 167 HA3 GLY 30 1HA GLY 30 -5.569 -8.010 -1.475 168 H HIS 31 H HIS 31 -7.324 -8.699 -3.680 169 HA HIS 31 HA HIS 31 -7.497 -6.171 -5.103 170 HB2 HIS 31 2HB HIS 31 -8.028 -8.371 -6.232 171 HB3 HIS 31 1HB HIS 31 -9.470 -8.464 -5.201 172 HD1 HIS 31 1HD HIS 31 -11.476 -7.778 -6.651 173 HD2 HIS 31 2HD HIS 31 -8.044 -5.554 -7.319 174 HE1 HIS 31 1HE HIS 31 -12.121 -6.016 -8.305 175 H LEU 32 H LEU 32 -8.776 -7.806 -2.390 176 HA LEU 32 HA LEU 32 -10.622 -5.614 -1.818 177 HB2 LEU 32 2HB LEU 32 -10.774 -8.558 -1.233 178 HB3 LEU 32 1HB LEU 32 -11.532 -7.423 -0.147 179 HG LEU 32 HG LEU 32 -12.927 -6.639 -1.944 180 HD11 LEU 32 1HD1 LEU 32 -11.754 -8.899 -3.587 181 HD12 LEU 32 2HD1 LEU 32 -11.557 -7.177 -3.903 182 HD13 LEU 32 3HD1 LEU 32 -13.148 -7.924 -4.050 183 HD21 LEU 32 1HD2 LEU 32 -13.779 -8.298 -0.467 184 HD22 LEU 32 2HD2 LEU 32 -13.048 -9.590 -1.419 185 HD23 LEU 32 3HD2 LEU 32 -14.374 -8.642 -2.092 186 HA PRO 33 HA PRO 33 -7.950 -4.679 1.634 187 HB2 PRO 33 2HB PRO 33 -10.380 -4.401 3.252 188 HB3 PRO 33 1HB PRO 33 -9.170 -3.170 2.849 189 HG2 PRO 33 2HG PRO 33 -11.715 -3.339 1.792 190 HG3 PRO 33 1HG PRO 33 -10.369 -2.386 1.153 191 HD2 PRO 33 2HD PRO 33 -11.599 -4.722 0.008 192 HD3 PRO 33 1HD PRO 33 -10.329 -3.672 -0.660 193 H ALA 34 H ALA 34 -10.770 -6.715 2.003 194 HA ALA 34 HA ALA 34 -9.875 -7.956 4.425 195 HB1 ALA 34 1HB ALA 34 -12.232 -7.724 3.836 196 HB2 ALA 34 2HB ALA 34 -11.780 -9.385 4.228 197 HB3 ALA 34 3HB ALA 34 -12.008 -8.904 2.544 198 H THR 35 H THR 35 -9.078 -8.614 1.104 199 HA THR 35 HA THR 35 -8.375 -11.357 1.843 200 HB THR 35 HB THR 35 -8.275 -11.740 -0.651 201 HG1 THR 35 1HG THR 35 -9.472 -10.185 -1.860 202 HG21 THR 35 1HG2 THR 35 -10.711 -11.883 -0.900 203 HG22 THR 35 2HG2 THR 35 -10.916 -10.813 0.488 204 HG23 THR 35 3HG2 THR 35 -10.209 -12.411 0.706 205 H ARG 36 H ARG 36 -6.904 -8.553 1.915 206 HA ARG 36 HA ARG 36 -4.664 -8.835 0.225 207 HB2 ARG 36 2HB ARG 36 -4.742 -7.309 2.816 208 HB3 ARG 36 1HB ARG 36 -3.626 -7.123 1.509 209 HG2 ARG 36 2HG ARG 36 -5.291 -6.276 0.033 210 HG3 ARG 36 1HG ARG 36 -6.558 -6.596 1.218 211 HD2 ARG 36 2HD ARG 36 -4.274 -4.648 1.518 212 HD3 ARG 36 1HD ARG 36 -5.971 -4.265 1.209 213 HE ARG 36 HE ARG 36 -6.016 -5.737 3.511 214 HH11 ARG 36 1HH1 ARG 36 -4.569 -2.666 2.520 215 HH12 ARG 36 2HH1 ARG 36 -4.439 -2.099 4.134 216 HH21 ARG 36 1HH2 ARG 36 -5.831 -4.909 5.657 217 HH22 ARG 36 2HH2 ARG 36 -5.161 -3.352 5.925 218 H VAL 37 H VAL 37 -2.704 -9.527 0.538 219 HA VAL 37 HA VAL 37 -2.109 -11.294 2.840 220 HB VAL 37 HB VAL 37 -1.043 -11.426 -0.011 221 HG11 VAL 37 1HG1 VAL 37 -0.086 -13.568 0.587 222 HG12 VAL 37 2HG1 VAL 37 -0.696 -13.386 2.227 223 HG13 VAL 37 3HG1 VAL 37 0.543 -12.283 1.623 224 HG21 VAL 37 1HG2 VAL 37 -3.389 -12.065 0.026 225 HG22 VAL 37 2HG2 VAL 37 -3.065 -13.230 1.311 226 HG23 VAL 37 3HG2 VAL 37 -2.366 -13.465 -0.291 227 H LEU 38 H LEU 38 -0.170 -10.885 3.849 228 HA LEU 38 HA LEU 38 0.948 -8.264 3.439 229 HB2 LEU 38 2HB LEU 38 0.494 -9.473 5.653 230 HB3 LEU 38 1HB LEU 38 1.883 -10.462 5.289 231 HG LEU 38 HG LEU 38 2.393 -8.776 6.940 232 HD11 LEU 38 1HD1 LEU 38 3.793 -8.148 4.355 233 HD12 LEU 38 2HD1 LEU 38 4.248 -9.391 5.520 234 HD13 LEU 38 3HD1 LEU 38 4.347 -7.686 5.961 235 HD21 LEU 38 1HD2 LEU 38 1.635 -6.747 4.868 236 HD22 LEU 38 2HD2 LEU 38 2.371 -6.406 6.433 237 HD23 LEU 38 3HD2 LEU 38 0.760 -7.122 6.353 238 H LEU 39 H LEU 39 2.460 -7.966 1.838 239 HA LEU 39 HA LEU 39 4.086 -10.244 1.048 240 HB2 LEU 39 2HB LEU 39 3.897 -7.467 -0.108 241 HB3 LEU 39 1HB LEU 39 4.878 -8.759 -0.766 242 HG LEU 39 HG LEU 39 1.863 -8.749 -0.592 243 HD11 LEU 39 1HD1 LEU 39 2.735 -7.213 -2.267 244 HD12 LEU 39 2HD1 LEU 39 1.967 -8.606 -3.027 245 HD13 LEU 39 3HD1 LEU 39 3.725 -8.500 -2.948 246 HD21 LEU 39 1HD2 LEU 39 2.027 -10.795 -1.933 247 HD22 LEU 39 2HD2 LEU 39 2.751 -10.974 -0.329 248 HD23 LEU 39 3HD2 LEU 39 3.786 -10.756 -1.742 249 H MET 40 H MET 40 4.777 -6.807 1.813 250 HA MET 40 HA MET 40 6.892 -7.470 3.611 251 HB2 MET 40 2HB MET 40 7.653 -7.828 1.022 252 HB3 MET 40 1HB MET 40 7.998 -6.114 1.243 253 HG2 MET 40 2HG MET 40 9.421 -6.509 3.092 254 HG3 MET 40 1HG MET 40 8.871 -8.186 3.145 255 HE1 MET 40 1HE MET 40 10.959 -5.532 1.073 256 HE2 MET 40 2HE MET 40 9.819 -6.200 -0.091 257 HE3 MET 40 3HE MET 40 11.546 -6.526 -0.265 258 H TYR 41 H TYR 41 7.955 -5.670 4.441 259 HA TYR 41 HA TYR 41 6.384 -3.192 4.401 260 HB2 TYR 41 2HB TYR 41 8.604 -4.198 6.206 261 HB3 TYR 41 1HB TYR 41 7.855 -2.623 6.359 262 HD1 TYR 41 1HD TYR 41 6.816 -6.242 6.238 263 HD2 TYR 41 2HD TYR 41 6.233 -2.394 7.950 264 HE1 TYR 41 1HE TYR 41 5.137 -7.179 7.777 265 HE2 TYR 41 2HE TYR 41 4.556 -3.335 9.476 266 HH TYR 41 HH TYR 41 3.037 -5.196 9.518 267 H VAL 42 H VAL 42 7.143 -1.335 3.458 268 HA VAL 42 HA VAL 42 9.983 -1.262 2.739 269 HB VAL 42 HB VAL 42 7.771 0.084 1.217 270 HG11 VAL 42 1HG1 VAL 42 9.935 1.195 1.049 271 HG12 VAL 42 2HG1 VAL 42 9.513 0.438 -0.485 272 HG13 VAL 42 3HG1 VAL 42 10.696 -0.324 0.579 273 HG21 VAL 42 1HG2 VAL 42 7.546 -2.290 1.010 274 HG22 VAL 42 2HG2 VAL 42 9.258 -2.458 0.623 275 HG23 VAL 42 3HG2 VAL 42 8.163 -1.616 -0.502 276 H ARG 43 H ARG 43 10.893 0.198 4.064 277 HA ARG 43 HA ARG 43 9.666 2.150 5.619 278 HB2 ARG 43 2HB ARG 43 11.927 1.152 5.915 279 HB3 ARG 43 1HB ARG 43 12.477 2.058 4.523 280 HG2 ARG 43 2HG ARG 43 11.644 4.115 5.897 281 HG3 ARG 43 1HG ARG 43 11.823 3.007 7.266 282 HD2 ARG 43 2HD ARG 43 14.128 2.477 6.386 283 HD3 ARG 43 1HD ARG 43 13.833 3.783 5.228 284 HE ARG 43 HE ARG 43 14.155 4.067 8.118 285 HH11 ARG 43 1HH1 ARG 43 13.826 5.700 4.982 286 HH12 ARG 43 2HH1 ARG 43 14.708 7.076 5.451 287 HH21 ARG 43 1HH2 ARG 43 15.387 5.956 8.738 288 HH22 ARG 43 2HH2 ARG 43 15.584 7.235 7.647 289 H ILE 44 H ILE 44 9.377 4.262 5.266 290 HA ILE 44 HA ILE 44 9.127 5.276 2.565 291 HB ILE 44 HB ILE 44 9.302 7.064 4.999 292 HG12 ILE 44 2HG1 ILE 44 7.567 5.395 5.195 293 HG13 ILE 44 1HG1 ILE 44 6.921 7.039 5.253 294 HG21 ILE 44 1HG2 ILE 44 9.591 8.253 2.917 295 HG22 ILE 44 2HG2 ILE 44 8.023 8.674 3.619 296 HG23 ILE 44 3HG2 ILE 44 8.114 7.541 2.272 297 HD11 ILE 44 1HD1 ILE 44 6.112 6.614 2.900 298 HD12 ILE 44 2HD1 ILE 44 5.427 5.584 4.145 299 HD13 ILE 44 3HD1 ILE 44 6.666 4.935 3.098 300 H GLY 45 H GLY 45 10.631 5.870 1.383 301 HA2 GLY 45 2HA GLY 45 12.469 7.288 0.729 302 HA3 GLY 45 1HA GLY 45 13.017 7.274 2.405 303 H ASN 46 H ASN 46 11.969 4.276 1.253 304 HA ASN 46 HA ASN 46 14.714 3.450 0.653 305 HB2 ASN 46 2HB ASN 46 14.200 2.841 2.888 306 HB3 ASN 46 1HB ASN 46 12.713 2.048 2.320 307 HD21 ASN 46 1HD2 ASN 46 13.361 -0.046 3.172 308 HD22 ASN 46 2HD2 ASN 46 14.691 -0.897 2.505 309 H THR 47 H THR 47 14.815 1.590 -0.567 310 HA THR 47 HA THR 47 12.486 1.137 -2.302 311 HB THR 47 HB THR 47 14.089 0.119 -3.829 312 HG1 THR 47 1HG THR 47 16.180 1.591 -2.663 313 HG21 THR 47 1HG2 THR 47 14.990 2.273 -4.747 314 HG22 THR 47 2HG2 THR 47 14.501 3.055 -3.243 315 HG23 THR 47 3HG2 THR 47 13.284 2.346 -4.304 316 H ALA 48 H ALA 48 12.032 -0.947 -2.860 317 HA ALA 48 HA ALA 48 13.437 -3.095 -1.464 318 HB1 ALA 48 1HB ALA 48 11.430 -4.006 -0.440 319 HB2 ALA 48 2HB ALA 48 10.495 -2.639 -1.047 320 HB3 ALA 48 3HB ALA 48 11.754 -2.379 0.165 321 H THR 49 H THR 49 13.138 -5.091 -2.379 322 HA THR 49 HA THR 49 11.658 -5.008 -4.904 323 HB THR 49 HB THR 49 13.828 -7.001 -4.197 324 HG1 THR 49 1HG THR 49 14.308 -4.555 -4.218 325 HG21 THR 49 1HG2 THR 49 12.768 -5.932 -6.823 326 HG22 THR 49 2HG2 THR 49 12.328 -7.477 -6.103 327 HG23 THR 49 3HG2 THR 49 13.989 -7.195 -6.631 328 H ILE 50 H ILE 50 9.816 -5.954 -4.818 329 HA ILE 50 HA ILE 50 9.055 -7.710 -2.576 330 HB ILE 50 HB ILE 50 7.310 -6.691 -4.808 331 HG12 ILE 50 2HG1 ILE 50 8.402 -4.723 -3.873 332 HG13 ILE 50 1HG1 ILE 50 6.680 -4.758 -3.478 333 HG21 ILE 50 1HG2 ILE 50 5.513 -6.874 -3.148 334 HG22 ILE 50 2HG2 ILE 50 6.681 -7.483 -1.975 335 HG23 ILE 50 3HG2 ILE 50 6.337 -8.408 -3.435 336 HD11 ILE 50 1HD1 ILE 50 7.983 -3.997 -1.595 337 HD12 ILE 50 2HD1 ILE 50 8.994 -5.442 -1.719 338 HD13 ILE 50 3HD1 ILE 50 7.296 -5.599 -1.238 339 H THR 51 H THR 51 9.192 -9.889 -3.015 340 HA THR 51 HA THR 51 8.808 -10.757 -5.775 341 HB THR 51 HB THR 51 9.331 -12.417 -3.337 342 HG1 THR 51 1HG THR 51 10.827 -10.538 -4.497 343 HG21 THR 51 1HG2 THR 51 8.771 -13.634 -5.410 344 HG22 THR 51 2HG2 THR 51 10.450 -13.926 -4.955 345 HG23 THR 51 3HG2 THR 51 10.074 -12.799 -6.255 346 H ALA 52 H ALA 52 6.817 -11.317 -6.363 347 HA ALA 52 HA ALA 52 5.008 -12.664 -4.532 348 HB1 ALA 52 1HB ALA 52 4.352 -10.292 -4.385 349 HB2 ALA 52 2HB ALA 52 3.131 -11.217 -5.252 350 HB3 ALA 52 3HB ALA 52 4.258 -10.202 -6.144 351 H ARG 53 H ARG 53 4.369 -14.436 -5.589 352 HA ARG 53 HA ARG 53 3.905 -15.939 -7.106 353 HB2 ARG 53 2HB ARG 53 2.256 -14.229 -7.839 354 HB3 ARG 53 1HB ARG 53 3.447 -13.621 -9.001 355 HG2 ARG 53 2HG ARG 53 3.627 -15.860 -9.834 356 HG3 ARG 53 1HG ARG 53 2.247 -16.318 -8.834 357 HD2 ARG 53 2HD ARG 53 0.871 -14.603 -10.014 358 HD3 ARG 53 1HD ARG 53 2.258 -14.214 -11.036 359 HE ARG 53 HE ARG 53 1.039 -16.864 -10.963 360 HH11 ARG 53 1HH1 ARG 53 2.401 -14.184 -12.881 361 HH12 ARG 53 2HH1 ARG 53 1.913 -14.835 -14.369 362 HH21 ARG 53 1HH2 ARG 53 0.392 -17.739 -13.020 363 HH22 ARG 53 2HH2 ARG 53 0.782 -16.903 -14.456 364 H GLY 54 H GLY 54 6.463 -14.846 -6.738 365 HA2 GLY 54 2HA GLY 54 8.637 -15.392 -7.480 366 HA3 GLY 54 1HA GLY 54 7.898 -16.121 -8.913 367 H HIS 55 H HIS 55 6.672 -13.050 -8.553 368 HA HIS 55 HA HIS 55 8.550 -11.966 -10.520 369 HB2 HIS 55 2HB HIS 55 5.810 -11.002 -9.647 370 HB3 HIS 55 1HB HIS 55 6.834 -10.177 -10.821 371 HD1 HIS 55 1HD HIS 55 6.519 -10.879 -13.245 372 HD2 HIS 55 2HD HIS 55 4.760 -13.512 -10.556 373 HE1 HIS 55 1HE HIS 55 5.064 -12.402 -14.611 374 H GLU 56 H GLU 56 9.970 -10.432 -9.848 375 HA GLU 56 HA GLU 56 9.588 -9.357 -7.200 376 HB2 GLU 56 2HB GLU 56 11.919 -9.893 -8.907 377 HB3 GLU 56 1HB GLU 56 12.036 -8.439 -7.917 378 HG2 GLU 56 2HG GLU 56 11.684 -9.646 -5.948 379 HG3 GLU 56 1HG GLU 56 11.247 -11.115 -6.773 380 H PHE 57 H PHE 57 9.087 -7.260 -6.866 381 HA PHE 57 HA PHE 57 9.013 -5.389 -9.151 382 HB2 PHE 57 2HB PHE 57 7.376 -5.501 -6.603 383 HB3 PHE 57 1HB PHE 57 7.217 -4.299 -7.881 384 HD1 PHE 57 1HD PHE 57 6.461 -7.703 -6.806 385 HD2 PHE 57 2HD PHE 57 6.082 -4.873 -9.961 386 HE1 PHE 57 1HE PHE 57 4.714 -9.095 -7.838 387 HE2 PHE 57 2HE PHE 57 4.339 -6.259 -10.996 388 HZ PHE 57 HZ PHE 57 3.650 -8.374 -9.931 389 H GLU 58 H GLU 58 10.752 -4.000 -8.902 390 HA GLU 58 HA GLU 58 11.624 -3.448 -6.205 391 HB2 GLU 58 2HB GLU 58 13.297 -3.757 -8.108 392 HB3 GLU 58 1HB GLU 58 12.694 -2.236 -8.774 393 HG2 GLU 58 2HG GLU 58 13.308 -1.149 -6.625 394 HG3 GLU 58 1HG GLU 58 14.040 -2.691 -6.205 395 H VAL 59 H VAL 59 10.539 -2.067 -5.135 396 HA VAL 59 HA VAL 59 9.150 0.197 -6.454 397 HB VAL 59 HB VAL 59 7.693 0.198 -4.421 398 HG11 VAL 59 1HG1 VAL 59 6.433 -1.871 -4.937 399 HG12 VAL 59 2HG1 VAL 59 7.750 -2.346 -6.033 400 HG13 VAL 59 3HG1 VAL 59 6.802 -0.874 -6.337 401 HG21 VAL 59 1HG2 VAL 59 7.703 -1.750 -2.999 402 HG22 VAL 59 2HG2 VAL 59 9.283 -0.884 -2.996 403 HG23 VAL 59 3HG2 VAL 59 9.084 -2.374 -3.929 404 H GLU 60 H GLU 60 8.938 2.051 -5.191 405 HA GLU 60 HA GLU 60 11.069 2.435 -3.236 406 HB2 GLU 60 2HB GLU 60 11.752 3.314 -5.450 407 HB3 GLU 60 1HB GLU 60 10.318 4.349 -5.465 408 HG2 GLU 60 2HG GLU 60 11.209 5.551 -3.532 409 HG3 GLU 60 1HG GLU 60 12.597 4.471 -3.494 410 H ALA 61 H ALA 61 9.906 2.735 -1.470 411 HA ALA 61 HA ALA 61 7.326 4.067 -1.623 412 HB1 ALA 61 1HB ALA 61 7.274 3.907 0.845 413 HB2 ALA 61 2HB ALA 61 8.930 3.307 0.838 414 HB3 ALA 61 3HB ALA 61 7.640 2.342 0.119 415 H LYS 62 H LYS 62 7.835 5.924 -2.518 416 HA LYS 62 HA LYS 62 9.987 7.620 -1.744 417 HB2 LYS 62 2HB LYS 62 7.532 8.533 -3.219 418 HB3 LYS 62 1HB LYS 62 9.167 9.172 -3.328 419 HG2 LYS 62 2HG LYS 62 9.824 6.936 -4.218 420 HG3 LYS 62 1HG LYS 62 8.110 6.575 -4.361 421 HD2 LYS 62 2HD LYS 62 9.572 8.814 -5.777 422 HD3 LYS 62 1HD LYS 62 9.035 7.312 -6.507 423 HE2 LYS 62 2HE LYS 62 7.415 8.877 -7.163 424 HE3 LYS 62 1HE LYS 62 6.687 8.038 -5.804 425 HZ1 LYS 62 1HZ LYS 62 6.446 10.502 -5.835 426 HZ2 LYS 62 2HZ LYS 62 8.078 10.646 -5.497 427 HZ3 LYS 62 3HZ LYS 62 7.052 9.909 -4.398 428 H ASP 63 H ASP 63 6.575 7.648 -1.191 429 HA ASP 63 HA ASP 63 6.853 9.537 1.023 430 HB2 ASP 63 2HB ASP 63 6.472 10.944 -0.939 431 HB3 ASP 63 1HB ASP 63 5.091 9.962 -1.396 432 H GLN 64 H GLN 64 4.799 9.729 2.192 433 HA GLN 64 HA GLN 64 3.759 7.216 2.904 434 HB2 GLN 64 2HB GLN 64 2.369 8.588 4.505 435 HB3 GLN 64 1HB GLN 64 4.108 8.714 4.637 436 HG2 GLN 64 2HG GLN 64 3.264 10.886 4.942 437 HG3 GLN 64 1HG GLN 64 3.937 10.858 3.325 438 HE21 GLN 64 1HE2 GLN 64 2.503 11.155 1.511 439 HE22 GLN 64 2HE2 GLN 64 0.870 11.609 1.790 440 H ASN 65 H ASN 65 2.987 8.626 0.283 441 HA ASN 65 HA ASN 65 0.176 8.721 -0.011 442 HB2 ASN 65 2HB ASN 65 1.874 9.522 -1.645 443 HB3 ASN 65 1HB ASN 65 2.326 7.846 -1.969 444 HD21 ASN 65 1HD2 ASN 65 -0.913 9.293 -1.630 445 HD22 ASN 65 2HD2 ASN 65 -1.405 8.927 -3.244 446 H CYS 66 H CYS 66 2.608 6.263 -0.189 447 HA CYS 66 HA CYS 66 2.748 4.111 -0.353 448 HB2 CYS 66 2HB CYS 66 0.216 4.088 1.297 449 HB3 CYS 66 1HB CYS 66 1.281 2.715 1.030 450 H LYS 67 H LYS 67 1.228 5.313 -2.539 451 HA LYS 67 HA LYS 67 -0.132 3.010 -3.512 452 HB2 LYS 67 2HB LYS 67 0.694 5.561 -4.600 453 HB3 LYS 67 1HB LYS 67 0.452 4.272 -5.825 454 HG2 LYS 67 2HG LYS 67 -1.438 5.699 -5.577 455 HG3 LYS 67 1HG LYS 67 -1.839 4.139 -4.858 456 HD2 LYS 67 2HD LYS 67 -1.361 4.893 -2.704 457 HD3 LYS 67 1HD LYS 67 -0.723 6.420 -3.273 458 HE2 LYS 67 2HE LYS 67 -2.943 6.844 -2.464 459 HE3 LYS 67 1HE LYS 67 -2.709 6.948 -4.233 460 HZ1 LYS 67 1HZ LYS 67 -3.874 4.841 -4.506 461 HZ2 LYS 67 2HZ LYS 67 -4.858 5.801 -3.545 462 HZ3 LYS 67 3HZ LYS 67 -3.909 4.608 -2.844 463 H VAL 68 H VAL 68 0.626 1.762 -5.176 464 HA VAL 68 HA VAL 68 3.346 0.991 -4.691 465 HB VAL 68 HB VAL 68 1.874 -0.873 -5.137 466 HG11 VAL 68 1HG1 VAL 68 0.228 0.214 -6.587 467 HG12 VAL 68 2HG1 VAL 68 0.833 -1.274 -7.314 468 HG13 VAL 68 3HG1 VAL 68 1.415 0.289 -7.886 469 HG21 VAL 68 1HG2 VAL 68 3.852 -0.453 -7.370 470 HG22 VAL 68 2HG2 VAL 68 3.135 -1.994 -6.944 471 HG23 VAL 68 3HG2 VAL 68 4.187 -1.169 -5.794 472 H ILE 69 H ILE 69 4.923 2.166 -5.388 473 HA ILE 69 HA ILE 69 4.791 3.060 -8.159 474 HB ILE 69 HB ILE 69 6.084 4.481 -5.800 475 HG12 ILE 69 2HG1 ILE 69 3.861 5.349 -7.641 476 HG13 ILE 69 1HG1 ILE 69 3.604 4.611 -6.070 477 HG21 ILE 69 1HG2 ILE 69 7.463 4.698 -7.824 478 HG22 ILE 69 2HG2 ILE 69 6.699 6.233 -7.407 479 HG23 ILE 69 3HG2 ILE 69 6.053 5.256 -8.724 480 HD11 ILE 69 1HD1 ILE 69 3.339 7.031 -5.973 481 HD12 ILE 69 2HD1 ILE 69 4.946 7.250 -6.654 482 HD13 ILE 69 3HD1 ILE 69 4.759 6.554 -5.040 483 H LEU 70 H LEU 70 6.169 2.044 -9.320 484 HA LEU 70 HA LEU 70 8.220 0.464 -8.099 485 HB2 LEU 70 2HB LEU 70 7.480 0.854 -10.984 486 HB3 LEU 70 1HB LEU 70 8.822 -0.129 -10.461 487 HG LEU 70 HG LEU 70 7.014 -1.539 -11.011 488 HD11 LEU 70 1HD1 LEU 70 7.357 -1.459 -8.076 489 HD12 LEU 70 2HD1 LEU 70 8.274 -2.394 -9.258 490 HD13 LEU 70 3HD1 LEU 70 6.564 -2.741 -8.977 491 HD21 LEU 70 1HD2 LEU 70 5.356 0.034 -9.079 492 HD22 LEU 70 2HD2 LEU 70 4.861 -1.460 -9.875 493 HD23 LEU 70 3HD2 LEU 70 5.174 -0.010 -10.833 494 H THR 71 H THR 71 10.291 0.561 -8.659 495 HA THR 71 HA THR 71 11.465 3.182 -8.695 496 HB THR 71 HB THR 71 13.629 1.991 -8.958 497 HG1 THR 71 1HG THR 71 13.548 -0.246 -9.131 498 HG21 THR 71 1HG2 THR 71 11.667 0.726 -7.087 499 HG22 THR 71 2HG2 THR 71 12.487 2.273 -6.831 500 HG23 THR 71 3HG2 THR 71 13.430 0.760 -6.881 501 H ASN 72 H ASN 72 10.565 0.992 -11.101 502 HA ASN 72 HA ASN 72 12.108 2.385 -13.154 503 HB2 ASN 72 2HB ASN 72 10.417 -0.118 -13.353 504 HB3 ASN 72 1HB ASN 72 11.316 0.592 -14.707 505 HD21 ASN 72 1HD2 ASN 72 11.467 -1.306 -11.809 506 HD22 ASN 72 2HD2 ASN 72 13.134 -1.684 -11.901 507 H GLY 73 H GLY 73 9.219 2.557 -11.676 508 HA2 GLY 73 2HA GLY 73 7.563 4.201 -11.954 509 HA3 GLY 73 1HA GLY 73 8.313 4.634 -13.498 510 H LYS 74 H LYS 74 7.672 1.414 -12.845 511 HA LYS 74 HA LYS 74 6.047 1.099 -15.133 512 HB2 LYS 74 2HB LYS 74 6.896 -0.812 -12.962 513 HB3 LYS 74 1HB LYS 74 6.144 -1.278 -14.480 514 HG2 LYS 74 2HG LYS 74 8.677 0.253 -14.308 515 HG3 LYS 74 1HG LYS 74 8.678 -1.500 -14.364 516 HD2 LYS 74 2HD LYS 74 7.610 0.449 -16.437 517 HD3 LYS 74 1HD LYS 74 9.060 -0.538 -16.547 518 HE2 LYS 74 2HE LYS 74 7.768 -2.555 -16.649 519 HE3 LYS 74 1HE LYS 74 6.271 -1.679 -16.363 520 HZ1 LYS 74 1HZ LYS 74 6.595 -0.523 -18.460 521 HZ2 LYS 74 2HZ LYS 74 6.529 -2.202 -18.666 522 HZ3 LYS 74 3HZ LYS 74 8.014 -1.407 -18.749 523 H GLN 75 H GLN 75 4.091 -0.035 -15.050 524 HA GLN 75 HA GLN 75 2.428 0.725 -12.784 525 HB2 GLN 75 2HB GLN 75 1.642 -0.366 -15.487 526 HB3 GLN 75 1HB GLN 75 0.505 -0.176 -14.168 527 HG2 GLN 75 2HG GLN 75 0.110 1.692 -15.429 528 HG3 GLN 75 1HG GLN 75 1.235 2.285 -14.221 529 HE21 GLN 75 1HE2 GLN 75 0.551 3.283 -16.868 530 HE22 GLN 75 2HE2 GLN 75 2.010 3.396 -17.761 531 H ALA 76 H ALA 76 1.841 -0.653 -11.325 532 HA ALA 76 HA ALA 76 2.537 -3.471 -11.732 533 HB1 ALA 76 1HB ALA 76 2.378 -1.783 -9.211 534 HB2 ALA 76 2HB ALA 76 3.689 -2.861 -9.773 535 HB3 ALA 76 3HB ALA 76 2.199 -3.520 -9.198 536 HA PRO 77 HA PRO 77 -1.661 -5.017 -11.654 537 HB2 PRO 77 2HB PRO 77 -1.442 -6.360 -9.163 538 HB3 PRO 77 1HB PRO 77 -1.312 -7.063 -10.785 539 HG2 PRO 77 2HG PRO 77 0.807 -6.285 -8.916 540 HG3 PRO 77 1HG PRO 77 0.813 -7.494 -10.220 541 HD2 PRO 77 2HD PRO 77 2.143 -5.217 -10.487 542 HD3 PRO 77 1HD PRO 77 1.257 -5.964 -11.842 543 H ASP 78 H ASP 78 -3.614 -4.480 -10.835 544 HA ASP 78 HA ASP 78 -3.793 -2.249 -9.115 545 HB2 ASP 78 2HB ASP 78 -5.386 -2.713 -10.960 546 HB3 ASP 78 1HB ASP 78 -6.015 -4.071 -10.040 547 H TRP 79 H TRP 79 -3.856 -5.621 -8.549 548 HA TRP 79 HA TRP 79 -5.070 -5.444 -5.955 549 HB2 TRP 79 2HB TRP 79 -4.392 -7.863 -5.757 550 HB3 TRP 79 1HB TRP 79 -5.444 -7.474 -7.118 551 HD1 TRP 79 HD TRP 79 -4.651 -8.091 -9.396 552 HE1 TRP 79 1HE TRP 79 -2.619 -9.331 -10.386 553 HE3 TRP 79 3HE TRP 79 -1.620 -8.050 -5.294 554 HZ2 TRP 79 2HZ TRP 79 -0.052 -10.136 -9.540 555 HZ3 TRP 79 3HZ TRP 79 0.615 -9.040 -5.479 556 HH2 TRP 79 HH TRP 79 1.384 -10.067 -7.550 557 H LEU 80 H LEU 80 -2.059 -4.669 -7.100 558 HA LEU 80 HA LEU 80 -0.623 -5.534 -4.769 559 HB2 LEU 80 2HB LEU 80 0.341 -5.488 -7.106 560 HB3 LEU 80 1HB LEU 80 0.296 -3.729 -7.011 561 HG LEU 80 HG LEU 80 1.889 -3.752 -5.207 562 HD11 LEU 80 1HD1 LEU 80 2.997 -5.865 -4.607 563 HD12 LEU 80 2HD1 LEU 80 1.825 -6.718 -5.632 564 HD13 LEU 80 3HD1 LEU 80 1.274 -5.856 -4.174 565 HD21 LEU 80 1HD2 LEU 80 3.851 -4.640 -6.388 566 HD22 LEU 80 2HD2 LEU 80 2.797 -3.741 -7.468 567 HD23 LEU 80 3HD2 LEU 80 2.786 -5.502 -7.497 568 H ALA 81 H ALA 81 -1.071 -4.498 -3.016 569 HA ALA 81 HA ALA 81 -1.722 -1.585 -3.044 570 HB1 ALA 81 1HB ALA 81 -2.568 -3.687 -1.075 571 HB2 ALA 81 2HB ALA 81 -3.609 -2.991 -2.332 572 HB3 ALA 81 3HB ALA 81 -2.980 -1.984 -1.024 573 H ALA 82 H ALA 82 -1.343 -0.528 -1.074 574 HA ALA 82 HA ALA 82 0.591 -1.536 0.780 575 HB1 ALA 82 1HB ALA 82 2.100 -0.729 -1.004 576 HB2 ALA 82 2HB ALA 82 2.253 0.215 0.487 577 HB3 ALA 82 3HB ALA 82 1.358 0.870 -0.872 578 H GLU 83 H GLU 83 0.386 -0.592 2.726 579 HA GLU 83 HA GLU 83 -0.974 1.971 2.988 580 HB2 GLU 83 2HB GLU 83 -2.274 1.016 4.936 581 HB3 GLU 83 1HB GLU 83 -2.730 0.283 3.405 582 HG2 GLU 83 2HG GLU 83 -1.611 -1.686 3.939 583 HG3 GLU 83 1HG GLU 83 -0.750 -0.939 5.284 584 HA PRO 84 HA PRO 84 2.541 2.229 5.733 585 HB2 PRO 84 2HB PRO 84 1.897 4.248 7.383 586 HB3 PRO 84 1HB PRO 84 2.195 4.529 5.731 587 HG2 PRO 84 2HG PRO 84 -0.497 4.151 6.959 588 HG3 PRO 84 1HG PRO 84 0.063 5.452 5.878 589 HD2 PRO 84 2HD PRO 84 -1.291 3.396 4.818 590 HD3 PRO 84 1HD PRO 84 0.167 4.101 4.052 591 H TYR 85 H TYR 85 3.176 1.151 7.391 592 HA TYR 85 HA TYR 85 1.518 -0.798 8.390 593 HB2 TYR 85 2HB TYR 85 3.430 -1.859 8.897 594 HB3 TYR 85 1HB TYR 85 4.124 -0.558 8.055 595 HD1 TYR 85 1HD TYR 85 5.287 1.294 9.366 596 HD2 TYR 85 2HD TYR 85 3.871 -2.262 11.200 597 HE1 TYR 85 1HE TYR 85 6.852 1.639 11.239 598 HE2 TYR 85 2HE TYR 85 5.400 -1.918 13.081 599 HH TYR 85 HH TYR 85 6.988 0.905 13.705 Start of MODEL 10 1 H SER 7 1HT SER 7 2.518 0.052 -19.684 2 HA SER 7 HA SER 7 4.058 1.796 -19.160 3 HB2 SER 7 2HB SER 7 3.655 1.412 -22.136 4 HB3 SER 7 1HB SER 7 5.176 1.639 -21.269 5 HG SER 7 HG SER 7 5.229 -0.435 -21.055 6 H GLY 8 H GLY 8 1.176 3.088 -19.608 7 HA2 GLY 8 2HA GLY 8 1.695 5.400 -21.159 8 HA3 GLY 8 1HA GLY 8 0.323 5.098 -20.091 9 H ARG 9 H ARG 9 1.021 7.532 -19.816 10 HA ARG 9 HA ARG 9 2.700 7.516 -17.446 11 HB2 ARG 9 2HB ARG 9 3.834 9.591 -18.103 12 HB3 ARG 9 1HB ARG 9 4.228 8.223 -19.124 13 HG2 ARG 9 2HG ARG 9 2.808 9.070 -20.879 14 HG3 ARG 9 1HG ARG 9 2.259 10.388 -19.835 15 HD2 ARG 9 2HD ARG 9 4.525 11.252 -19.704 16 HD3 ARG 9 1HD ARG 9 5.106 9.915 -20.686 17 HE ARG 9 HE ARG 9 3.705 10.812 -22.482 18 HH11 ARG 9 1HH1 ARG 9 4.428 13.062 -19.850 19 HH12 ARG 9 2HH1 ARG 9 4.713 14.391 -20.863 20 HH21 ARG 9 1HH2 ARG 9 4.070 12.650 -23.881 21 HH22 ARG 9 2HH2 ARG 9 4.463 14.168 -23.210 22 H GLU 10 H GLU 10 2.275 8.875 -15.903 23 HA GLU 10 HA GLU 10 0.457 11.073 -16.184 24 HB2 GLU 10 2HB GLU 10 -0.908 10.363 -14.259 25 HB3 GLU 10 1HB GLU 10 -1.068 9.213 -15.575 26 HG2 GLU 10 2HG GLU 10 0.302 7.623 -14.462 27 HG3 GLU 10 1HG GLU 10 0.803 8.811 -13.259 28 H ASN 11 H ASN 11 0.953 12.603 -14.550 29 HA ASN 11 HA ASN 11 3.418 11.958 -13.157 30 HB2 ASN 11 2HB ASN 11 3.402 14.091 -14.399 31 HB3 ASN 11 1HB ASN 11 2.037 14.641 -13.433 32 HD21 ASN 11 1HD2 ASN 11 5.432 13.902 -13.417 33 HD22 ASN 11 2HD2 ASN 11 5.817 14.715 -11.941 34 H LEU 12 H LEU 12 2.690 10.640 -11.645 35 HA LEU 12 HA LEU 12 0.760 11.701 -9.761 36 HB2 LEU 12 2HB LEU 12 0.631 9.536 -8.727 37 HB3 LEU 12 1HB LEU 12 0.463 9.343 -10.450 38 HG LEU 12 HG LEU 12 2.949 8.837 -8.909 39 HD11 LEU 12 1HD1 LEU 12 2.376 6.398 -9.170 40 HD12 LEU 12 2HD1 LEU 12 0.865 6.873 -9.941 41 HD13 LEU 12 3HD1 LEU 12 1.148 7.269 -8.248 42 HD21 LEU 12 1HD2 LEU 12 3.636 7.465 -10.896 43 HD22 LEU 12 2HD2 LEU 12 3.489 9.182 -11.226 44 HD23 LEU 12 3HD2 LEU 12 2.214 8.075 -11.742 45 H TYR 13 H TYR 13 1.737 13.199 -8.826 46 HA TYR 13 HA TYR 13 4.471 12.923 -7.881 47 HB2 TYR 13 2HB TYR 13 3.597 14.986 -9.094 48 HB3 TYR 13 1HB TYR 13 2.697 15.346 -7.634 49 HD1 TYR 13 1HD TYR 13 3.908 16.105 -5.589 50 HD2 TYR 13 2HD TYR 13 5.957 15.304 -9.230 51 HE1 TYR 13 1HE TYR 13 5.867 17.345 -4.757 52 HE2 TYR 13 2HE TYR 13 7.917 16.526 -8.410 53 HH TYR 13 HH TYR 13 8.328 17.432 -5.179 54 H PHE 14 H PHE 14 4.173 11.459 -6.227 55 HA PHE 14 HA PHE 14 3.007 12.704 -3.868 56 HB2 PHE 14 2HB PHE 14 2.959 9.772 -4.586 57 HB3 PHE 14 1HB PHE 14 2.693 10.350 -2.947 58 HD1 PHE 14 1HD PHE 14 1.218 9.785 -6.175 59 HD2 PHE 14 2HD PHE 14 0.786 11.896 -2.507 60 HE1 PHE 14 1HE PHE 14 -1.163 10.162 -6.669 61 HE2 PHE 14 2HE PHE 14 -1.591 12.276 -2.990 62 HZ PHE 14 HZ PHE 14 -2.569 11.412 -5.068 63 H GLN 15 H GLN 15 4.854 13.666 -3.440 64 HA GLN 15 HA GLN 15 6.568 12.133 -1.716 65 HB2 GLN 15 2HB GLN 15 7.809 14.144 -3.629 66 HB3 GLN 15 1HB GLN 15 8.637 13.117 -2.479 67 HG2 GLN 15 2HG GLN 15 9.162 12.067 -4.438 68 HG3 GLN 15 1HG GLN 15 7.670 11.234 -3.954 69 HE21 GLN 15 1HE2 GLN 15 7.276 10.639 -6.191 70 HE22 GLN 15 2HE2 GLN 15 6.726 11.819 -7.318 71 H GLY 16 H GLY 16 5.394 13.199 -0.140 72 HA2 GLY 16 2HA GLY 16 5.446 16.142 -0.328 73 HA3 GLY 16 1HA GLY 16 4.229 15.224 0.531 74 H HIS 17 H HIS 17 5.013 17.124 1.911 75 HA HIS 17 HA HIS 17 6.829 16.072 3.938 76 HB2 HIS 17 2HB HIS 17 6.805 18.929 2.902 77 HB3 HIS 17 1HB HIS 17 7.657 18.401 4.343 78 HD1 HIS 17 1HD HIS 17 7.887 18.387 0.605 79 HD2 HIS 17 2HD HIS 17 10.009 16.948 3.870 80 HE1 HIS 17 1HE HIS 17 10.157 17.756 -0.266 81 H MET 18 H MET 18 5.379 15.610 5.426 82 HA MET 18 HA MET 18 3.643 17.676 6.516 83 HB2 MET 18 2HB MET 18 2.265 16.556 4.807 84 HB3 MET 18 1HB MET 18 2.721 14.993 5.434 85 HG2 MET 18 2HG MET 18 1.547 15.533 7.544 86 HG3 MET 18 1HG MET 18 1.009 17.046 6.821 87 HE1 MET 18 1HE MET 18 -0.797 14.663 8.144 88 HE2 MET 18 2HE MET 18 -2.180 14.692 7.049 89 HE3 MET 18 3HE MET 18 -1.458 16.204 7.597 90 H ALA 19 H ALA 19 3.011 16.988 8.751 91 HA ALA 19 HA ALA 19 4.611 14.991 10.012 92 HB1 ALA 19 1HB ALA 19 2.941 15.180 11.867 93 HB2 ALA 19 2HB ALA 19 1.933 16.188 10.825 94 HB3 ALA 19 3HB ALA 19 3.520 16.762 11.341 95 H ALA 20 H ALA 20 4.486 13.146 8.971 96 HA ALA 20 HA ALA 20 2.033 12.333 7.645 97 HB1 ALA 20 1HB ALA 20 4.078 12.567 6.363 98 HB2 ALA 20 2HB ALA 20 3.548 10.882 6.397 99 HB3 ALA 20 3HB ALA 20 4.885 11.405 7.419 100 HA PRO 21 HA PRO 21 1.254 8.451 9.886 101 HB2 PRO 21 2HB PRO 21 1.892 7.342 7.173 102 HB3 PRO 21 1HB PRO 21 0.565 6.905 8.272 103 HG2 PRO 21 2HG PRO 21 0.101 8.447 6.204 104 HG3 PRO 21 1HG PRO 21 -0.677 8.756 7.773 105 HD2 PRO 21 2HD PRO 21 1.458 10.292 6.425 106 HD3 PRO 21 1HD PRO 21 0.256 10.807 7.614 107 H ALA 22 H ALA 22 2.369 6.236 9.893 108 HA ALA 22 HA ALA 22 4.765 6.657 11.207 109 HB1 ALA 22 1HB ALA 22 3.016 5.052 11.720 110 HB2 ALA 22 2HB ALA 22 4.646 4.311 11.642 111 HB3 ALA 22 3HB ALA 22 3.523 4.142 10.311 112 H ARG 23 H ARG 23 5.155 7.121 8.382 113 HA ARG 23 HA ARG 23 6.721 6.863 6.689 114 HB2 ARG 23 2HB ARG 23 7.804 7.928 8.693 115 HB3 ARG 23 1HB ARG 23 8.493 6.367 9.078 116 HG2 ARG 23 2HG ARG 23 9.762 6.392 7.011 117 HG3 ARG 23 1HG ARG 23 9.020 7.932 6.563 118 HD2 ARG 23 2HD ARG 23 11.197 8.380 7.484 119 HD3 ARG 23 1HD ARG 23 9.971 8.945 8.612 120 HE ARG 23 HE ARG 23 11.563 6.494 8.900 121 HH11 ARG 23 1HH1 ARG 23 9.683 9.078 10.425 122 HH12 ARG 23 2HH1 ARG 23 10.232 8.746 11.992 123 HH21 ARG 23 1HH2 ARG 23 12.351 6.071 11.045 124 HH22 ARG 23 2HH2 ARG 23 11.790 6.994 12.367 125 H SER 24 H SER 24 5.336 4.400 7.011 126 HA SER 24 HA SER 24 7.395 2.511 6.140 127 HB2 SER 24 2HB SER 24 5.232 1.920 8.168 128 HB3 SER 24 1HB SER 24 6.427 0.773 7.534 129 HG SER 24 HG SER 24 6.746 2.983 9.249 130 H CYS 25 H CYS 25 6.615 1.437 4.240 131 HA CYS 25 HA CYS 25 3.729 1.572 3.894 132 HB2 CYS 25 2HB CYS 25 5.964 1.404 1.871 133 HB3 CYS 25 1HB CYS 25 4.267 1.103 1.473 134 H VAL 26 H VAL 26 2.688 -0.231 3.828 135 HA VAL 26 HA VAL 26 4.191 -2.714 4.255 136 HB VAL 26 HB VAL 26 1.382 -1.947 5.121 137 HG11 VAL 26 1HG1 VAL 26 1.626 -3.658 6.766 138 HG12 VAL 26 2HG1 VAL 26 3.251 -4.022 6.208 139 HG13 VAL 26 3HG1 VAL 26 1.847 -4.372 5.160 140 HG21 VAL 26 1HG2 VAL 26 3.893 -1.764 6.689 141 HG22 VAL 26 2HG2 VAL 26 2.217 -1.386 7.184 142 HG23 VAL 26 3HG2 VAL 26 3.011 -0.427 5.945 143 H TYR 27 H TYR 27 4.013 -4.081 2.669 144 HA TYR 27 HA TYR 27 2.126 -3.505 0.552 145 HB2 TYR 27 2HB TYR 27 4.671 -5.113 0.623 146 HB3 TYR 27 1HB TYR 27 3.597 -5.089 -0.780 147 HD1 TYR 27 1HD TYR 27 3.815 -3.417 -2.358 148 HD2 TYR 27 2HD TYR 27 5.452 -2.796 1.505 149 HE1 TYR 27 1HE TYR 27 4.755 -1.244 -3.097 150 HE2 TYR 27 2HE TYR 27 6.390 -0.659 0.787 151 HH TYR 27 HH TYR 27 5.472 0.855 -2.119 152 H TYR 28 H TYR 28 0.501 -4.690 0.031 153 HA TYR 28 HA TYR 28 0.232 -7.298 1.282 154 HB2 TYR 28 2HB TYR 28 -1.942 -5.230 0.868 155 HB3 TYR 28 1HB TYR 28 -2.168 -6.907 1.302 156 HD1 TYR 28 1HD TYR 28 -0.934 -3.620 2.608 157 HD2 TYR 28 2HD TYR 28 -1.812 -7.702 3.477 158 HE1 TYR 28 1HE TYR 28 -0.767 -3.166 5.000 159 HE2 TYR 28 2HE TYR 28 -1.645 -7.242 5.865 160 HH TYR 28 HH TYR 28 -0.555 -5.598 7.323 161 H ASP 29 H ASP 29 -0.400 -8.843 0.040 162 HA ASP 29 HA ASP 29 -0.840 -8.422 -2.820 163 HB2 ASP 29 2HB ASP 29 0.692 -10.169 -2.268 164 HB3 ASP 29 1HB ASP 29 -0.401 -10.743 -1.033 165 H GLY 30 H GLY 30 -2.862 -7.761 -3.047 166 HA2 GLY 30 2HA GLY 30 -4.910 -9.680 -2.724 167 HA3 GLY 30 1HA GLY 30 -5.148 -8.456 -1.518 168 H HIS 31 H HIS 31 -6.273 -9.377 -4.081 169 HA HIS 31 HA HIS 31 -6.253 -6.980 -5.740 170 HB2 HIS 31 2HB HIS 31 -6.611 -9.442 -6.520 171 HB3 HIS 31 1HB HIS 31 -8.285 -9.197 -5.994 172 HD1 HIS 31 1HD HIS 31 -9.668 -8.740 -8.098 173 HD2 HIS 31 2HD HIS 31 -5.901 -7.005 -8.219 174 HE1 HIS 31 1HE HIS 31 -9.542 -7.526 -10.273 175 H LEU 32 H LEU 32 -7.832 -8.235 -3.070 176 HA LEU 32 HA LEU 32 -9.696 -6.007 -2.922 177 HB2 LEU 32 2HB LEU 32 -10.144 -8.906 -2.191 178 HB3 LEU 32 1HB LEU 32 -11.080 -7.620 -1.485 179 HG LEU 32 HG LEU 32 -11.860 -7.059 -3.772 180 HD11 LEU 32 1HD1 LEU 32 -10.675 -9.746 -4.479 181 HD12 LEU 32 2HD1 LEU 32 -10.171 -8.181 -5.126 182 HD13 LEU 32 3HD1 LEU 32 -11.775 -8.817 -5.498 183 HD21 LEU 32 1HD2 LEU 32 -12.534 -9.771 -2.685 184 HD22 LEU 32 2HD2 LEU 32 -13.525 -8.826 -3.806 185 HD23 LEU 32 3HD2 LEU 32 -13.221 -8.227 -2.180 186 HA PRO 33 HA PRO 33 -7.474 -5.654 0.968 187 HB2 PRO 33 2HB PRO 33 -9.381 -4.240 2.361 188 HB3 PRO 33 1HB PRO 33 -8.250 -3.486 1.221 189 HG2 PRO 33 2HG PRO 33 -11.089 -4.213 0.815 190 HG3 PRO 33 1HG PRO 33 -10.171 -2.830 0.200 191 HD2 PRO 33 2HD PRO 33 -10.771 -4.965 -1.341 192 HD3 PRO 33 1HD PRO 33 -9.293 -3.991 -1.543 193 H ALA 34 H ALA 34 -10.385 -7.252 0.434 194 HA ALA 34 HA ALA 34 -10.795 -8.281 3.078 195 HB1 ALA 34 1HB ALA 34 -12.606 -8.250 1.429 196 HB2 ALA 34 2HB ALA 34 -12.301 -9.893 2.001 197 HB3 ALA 34 3HB ALA 34 -11.708 -9.384 0.420 198 H THR 35 H THR 35 -9.345 -9.711 0.111 199 HA THR 35 HA THR 35 -8.422 -12.018 1.595 200 HB THR 35 HB THR 35 -7.904 -12.663 -0.858 201 HG1 THR 35 1HG THR 35 -8.339 -11.161 -2.221 202 HG21 THR 35 1HG2 THR 35 -10.750 -12.174 0.057 203 HG22 THR 35 2HG2 THR 35 -9.777 -13.595 0.439 204 HG23 THR 35 3HG2 THR 35 -10.263 -13.284 -1.225 205 H ARG 36 H ARG 36 -7.081 -9.270 1.619 206 HA ARG 36 HA ARG 36 -4.660 -9.357 0.170 207 HB2 ARG 36 2HB ARG 36 -4.039 -7.462 1.459 208 HB3 ARG 36 1HB ARG 36 -5.762 -7.342 1.177 209 HG2 ARG 36 2HG ARG 36 -5.912 -8.538 3.502 210 HG3 ARG 36 1HG ARG 36 -4.282 -7.901 3.697 211 HD2 ARG 36 2HD ARG 36 -6.849 -6.423 3.283 212 HD3 ARG 36 1HD ARG 36 -5.724 -6.291 4.617 213 HE ARG 36 HE ARG 36 -5.093 -5.368 1.891 214 HH11 ARG 36 1HH1 ARG 36 -4.983 -4.818 5.420 215 HH12 ARG 36 2HH1 ARG 36 -4.475 -3.194 5.199 216 HH21 ARG 36 1HH2 ARG 36 -4.404 -3.151 1.719 217 HH22 ARG 36 2HH2 ARG 36 -4.146 -2.281 3.194 218 H VAL 37 H VAL 37 -2.486 -9.684 0.888 219 HA VAL 37 HA VAL 37 -2.096 -11.430 3.259 220 HB VAL 37 HB VAL 37 -0.743 -11.670 0.557 221 HG11 VAL 37 1HG1 VAL 37 0.671 -12.400 2.339 222 HG12 VAL 37 2HG1 VAL 37 0.168 -13.760 1.339 223 HG13 VAL 37 3HG1 VAL 37 -0.579 -13.504 2.922 224 HG21 VAL 37 1HG2 VAL 37 -2.899 -13.426 1.679 225 HG22 VAL 37 2HG2 VAL 37 -1.958 -13.784 0.231 226 HG23 VAL 37 3HG2 VAL 37 -3.022 -12.375 0.271 227 H LEU 38 H LEU 38 -0.216 -10.902 4.357 228 HA LEU 38 HA LEU 38 0.996 -8.389 3.701 229 HB2 LEU 38 2HB LEU 38 0.858 -9.009 6.032 230 HB3 LEU 38 1HB LEU 38 1.796 -10.467 5.736 231 HG LEU 38 HG LEU 38 3.697 -8.997 5.045 232 HD11 LEU 38 1HD1 LEU 38 2.512 -6.983 4.521 233 HD12 LEU 38 2HD1 LEU 38 3.707 -6.679 5.782 234 HD13 LEU 38 3HD1 LEU 38 2.001 -6.814 6.201 235 HD21 LEU 38 1HD2 LEU 38 4.392 -8.467 7.284 236 HD22 LEU 38 2HD2 LEU 38 3.623 -10.056 7.221 237 HD23 LEU 38 3HD2 LEU 38 2.737 -8.666 7.872 238 H LEU 39 H LEU 39 2.530 -8.103 2.272 239 HA LEU 39 HA LEU 39 4.176 -10.361 1.477 240 HB2 LEU 39 2HB LEU 39 3.994 -7.534 0.433 241 HB3 LEU 39 1HB LEU 39 5.080 -8.754 -0.212 242 HG LEU 39 HG LEU 39 2.070 -8.981 -0.199 243 HD11 LEU 39 1HD1 LEU 39 2.223 -8.608 -2.600 244 HD12 LEU 39 2HD1 LEU 39 3.962 -8.361 -2.459 245 HD13 LEU 39 3HD1 LEU 39 2.845 -7.216 -1.708 246 HD21 LEU 39 1HD2 LEU 39 2.517 -10.876 -1.720 247 HD22 LEU 39 2HD2 LEU 39 3.152 -11.118 -0.097 248 HD23 LEU 39 3HD2 LEU 39 4.246 -10.671 -1.411 249 H MET 40 H MET 40 4.695 -7.027 2.525 250 HA MET 40 HA MET 40 6.733 -7.594 4.415 251 HB2 MET 40 2HB MET 40 8.668 -6.707 3.313 252 HB3 MET 40 1HB MET 40 8.115 -8.158 2.448 253 HG2 MET 40 2HG MET 40 7.228 -6.739 0.714 254 HG3 MET 40 1HG MET 40 7.610 -5.316 1.691 255 HE1 MET 40 1HE MET 40 9.103 -8.338 -0.359 256 HE2 MET 40 2HE MET 40 9.858 -8.563 1.221 257 HE3 MET 40 3HE MET 40 10.836 -8.087 -0.164 258 H TYR 41 H TYR 41 7.930 -5.781 5.041 259 HA TYR 41 HA TYR 41 6.381 -3.291 4.903 260 HB2 TYR 41 2HB TYR 41 8.298 -4.395 6.966 261 HB3 TYR 41 1HB TYR 41 7.743 -2.734 6.975 262 HD1 TYR 41 1HD TYR 41 5.773 -2.162 8.022 263 HD2 TYR 41 2HD TYR 41 6.508 -6.259 7.178 264 HE1 TYR 41 1HE TYR 41 3.813 -2.781 9.346 265 HE2 TYR 41 2HE TYR 41 4.531 -6.881 8.516 266 HH TYR 41 HH TYR 41 2.240 -4.563 9.539 267 H VAL 42 H VAL 42 7.324 -1.583 3.941 268 HA VAL 42 HA VAL 42 10.219 -1.649 3.472 269 HB VAL 42 HB VAL 42 8.133 -0.229 1.801 270 HG11 VAL 42 1HG1 VAL 42 10.324 0.860 1.777 271 HG12 VAL 42 2HG1 VAL 42 9.969 0.126 0.214 272 HG13 VAL 42 3HG1 VAL 42 11.086 -0.665 1.327 273 HG21 VAL 42 1HG2 VAL 42 7.927 -2.616 1.567 274 HG22 VAL 42 2HG2 VAL 42 9.657 -2.758 1.228 275 HG23 VAL 42 3HG2 VAL 42 8.588 -1.901 0.097 276 H ARG 43 H ARG 43 11.284 0.162 4.217 277 HA ARG 43 HA ARG 43 9.704 1.865 5.933 278 HB2 ARG 43 2HB ARG 43 12.095 0.935 6.413 279 HB3 ARG 43 1HB ARG 43 12.643 2.221 5.350 280 HG2 ARG 43 2HG ARG 43 12.820 2.947 7.632 281 HG3 ARG 43 1HG ARG 43 11.534 3.869 6.839 282 HD2 ARG 43 2HD ARG 43 9.850 2.446 7.821 283 HD3 ARG 43 1HD ARG 43 11.076 1.401 8.517 284 HE ARG 43 HE ARG 43 10.127 3.956 9.450 285 HH11 ARG 43 1HH1 ARG 43 12.693 1.501 9.804 286 HH12 ARG 43 2HH1 ARG 43 13.087 1.966 11.376 287 HH21 ARG 43 1HH2 ARG 43 10.642 4.516 11.658 288 HH22 ARG 43 2HH2 ARG 43 11.886 3.715 12.481 289 H ILE 44 H ILE 44 9.022 3.799 5.375 290 HA ILE 44 HA ILE 44 9.130 4.607 2.695 291 HB ILE 44 HB ILE 44 8.240 6.201 5.086 292 HG12 ILE 44 2HG1 ILE 44 6.805 4.926 2.755 293 HG13 ILE 44 1HG1 ILE 44 6.861 4.325 4.404 294 HG21 ILE 44 1HG2 ILE 44 7.330 7.889 3.543 295 HG22 ILE 44 2HG2 ILE 44 8.133 7.081 2.196 296 HG23 ILE 44 3HG2 ILE 44 9.093 7.824 3.475 297 HD11 ILE 44 1HD1 ILE 44 5.588 6.259 5.166 298 HD12 ILE 44 2HD1 ILE 44 4.736 5.385 3.895 299 HD13 ILE 44 3HD1 ILE 44 5.569 6.895 3.519 300 H GLY 45 H GLY 45 10.429 5.413 1.528 301 HA2 GLY 45 2HA GLY 45 11.871 7.378 1.047 302 HA3 GLY 45 1HA GLY 45 12.770 6.898 2.493 303 H ASN 46 H ASN 46 12.081 4.068 1.829 304 HA ASN 46 HA ASN 46 14.526 3.589 0.263 305 HB2 ASN 46 2HB ASN 46 14.384 2.918 2.630 306 HB3 ASN 46 1HB ASN 46 13.050 1.877 2.148 307 HD21 ASN 46 1HD2 ASN 46 14.250 0.111 3.011 308 HD22 ASN 46 2HD2 ASN 46 15.594 -0.573 2.177 309 H THR 47 H THR 47 14.607 1.630 -0.834 310 HA THR 47 HA THR 47 12.243 1.077 -2.517 311 HB THR 47 HB THR 47 14.001 0.037 -3.972 312 HG1 THR 47 1HG THR 47 15.851 -0.107 -2.978 313 HG21 THR 47 1HG2 THR 47 14.782 2.204 -4.926 314 HG22 THR 47 2HG2 THR 47 14.185 3.016 -3.478 315 HG23 THR 47 3HG2 THR 47 13.059 2.201 -4.560 316 H ALA 48 H ALA 48 11.947 -1.053 -3.153 317 HA ALA 48 HA ALA 48 13.336 -3.211 -1.801 318 HB1 ALA 48 1HB ALA 48 11.699 -2.573 -0.085 319 HB2 ALA 48 2HB ALA 48 11.402 -4.198 -0.709 320 HB3 ALA 48 3HB ALA 48 10.397 -2.850 -1.241 321 H THR 49 H THR 49 13.083 -5.192 -2.739 322 HA THR 49 HA THR 49 11.731 -5.265 -5.329 323 HB THR 49 HB THR 49 13.553 -7.341 -4.109 324 HG1 THR 49 1HG THR 49 14.494 -5.213 -5.769 325 HG21 THR 49 1HG2 THR 49 14.101 -7.800 -6.461 326 HG22 THR 49 2HG2 THR 49 13.034 -6.490 -6.966 327 HG23 THR 49 3HG2 THR 49 12.363 -7.924 -6.183 328 H ILE 50 H ILE 50 9.651 -5.968 -5.070 329 HA ILE 50 HA ILE 50 8.982 -7.871 -2.919 330 HB ILE 50 HB ILE 50 7.024 -6.817 -4.924 331 HG12 ILE 50 2HG1 ILE 50 8.145 -4.769 -4.215 332 HG13 ILE 50 1HG1 ILE 50 6.514 -4.850 -3.540 333 HG21 ILE 50 1HG2 ILE 50 6.260 -8.490 -3.399 334 HG22 ILE 50 2HG2 ILE 50 5.463 -6.955 -3.047 335 HG23 ILE 50 3HG2 ILE 50 6.778 -7.522 -2.016 336 HD11 ILE 50 1HD1 ILE 50 9.082 -5.445 -2.130 337 HD12 ILE 50 2HD1 ILE 50 7.467 -5.541 -1.416 338 HD13 ILE 50 3HD1 ILE 50 8.114 -3.974 -1.954 339 H THR 51 H THR 51 9.377 -9.971 -3.613 340 HA THR 51 HA THR 51 8.503 -10.543 -6.332 341 HB THR 51 HB THR 51 9.815 -12.390 -4.320 342 HG1 THR 51 1HG THR 51 10.861 -11.728 -6.820 343 HG21 THR 51 1HG2 THR 51 9.057 -12.931 -7.199 344 HG22 THR 51 2HG2 THR 51 8.299 -13.653 -5.781 345 HG23 THR 51 3HG2 THR 51 9.984 -14.018 -6.164 346 H ALA 52 H ALA 52 6.598 -11.172 -6.761 347 HA ALA 52 HA ALA 52 5.070 -12.776 -4.893 348 HB1 ALA 52 1HB ALA 52 3.067 -11.324 -5.220 349 HB2 ALA 52 2HB ALA 52 4.081 -10.170 -6.086 350 HB3 ALA 52 3HB ALA 52 4.372 -10.490 -4.377 351 H ARG 53 H ARG 53 4.240 -14.417 -6.030 352 HA ARG 53 HA ARG 53 3.671 -15.799 -7.730 353 HB2 ARG 53 2HB ARG 53 2.824 -13.193 -9.008 354 HB3 ARG 53 1HB ARG 53 2.497 -14.779 -9.716 355 HG2 ARG 53 2HG ARG 53 1.095 -15.381 -7.909 356 HG3 ARG 53 1HG ARG 53 1.602 -13.964 -6.971 357 HD2 ARG 53 2HD ARG 53 0.548 -12.498 -8.575 358 HD3 ARG 53 1HD ARG 53 0.112 -13.874 -9.589 359 HE ARG 53 HE ARG 53 -1.666 -14.228 -8.275 360 HH11 ARG 53 1HH1 ARG 53 0.621 -12.357 -6.267 361 HH12 ARG 53 2HH1 ARG 53 -0.591 -12.002 -5.104 362 HH21 ARG 53 1HH2 ARG 53 -3.182 -13.764 -6.562 363 HH22 ARG 53 2HH2 ARG 53 -2.660 -12.828 -5.218 364 H GLY 54 H GLY 54 6.273 -14.646 -7.561 365 HA2 GLY 54 2HA GLY 54 8.280 -14.987 -8.689 366 HA3 GLY 54 1HA GLY 54 7.344 -15.599 -10.060 367 H HIS 55 H HIS 55 6.274 -12.538 -9.022 368 HA HIS 55 HA HIS 55 7.724 -11.195 -11.237 369 HB2 HIS 55 2HB HIS 55 5.444 -10.160 -9.521 370 HB3 HIS 55 1HB HIS 55 6.124 -9.389 -10.945 371 HD1 HIS 55 1HD HIS 55 3.933 -9.171 -12.200 372 HD2 HIS 55 2HD HIS 55 4.677 -13.058 -10.930 373 HE1 HIS 55 1HE HIS 55 2.051 -10.566 -13.097 374 H GLU 56 H GLU 56 9.444 -9.953 -10.543 375 HA GLU 56 HA GLU 56 9.481 -9.056 -7.810 376 HB2 GLU 56 2HB GLU 56 11.423 -8.743 -10.089 377 HB3 GLU 56 1HB GLU 56 11.613 -7.868 -8.582 378 HG2 GLU 56 2HG GLU 56 13.008 -9.762 -8.384 379 HG3 GLU 56 1HG GLU 56 11.523 -10.045 -7.461 380 H PHE 57 H PHE 57 8.399 -7.260 -7.266 381 HA PHE 57 HA PHE 57 8.075 -5.136 -9.249 382 HB2 PHE 57 2HB PHE 57 6.742 -5.645 -6.572 383 HB3 PHE 57 1HB PHE 57 6.392 -4.284 -7.634 384 HD1 PHE 57 1HD PHE 57 5.238 -4.691 -9.787 385 HD2 PHE 57 2HD PHE 57 5.775 -7.744 -6.877 386 HE1 PHE 57 1HE PHE 57 3.449 -6.008 -10.846 387 HE2 PHE 57 2HE PHE 57 4.005 -9.062 -7.927 388 HZ PHE 57 HZ PHE 57 2.830 -8.197 -9.907 389 H GLU 58 H GLU 58 9.869 -3.858 -9.041 390 HA GLU 58 HA GLU 58 10.849 -3.580 -6.314 391 HB2 GLU 58 2HB GLU 58 12.440 -4.242 -8.205 392 HB3 GLU 58 1HB GLU 58 12.228 -2.588 -8.793 393 HG2 GLU 58 2HG GLU 58 13.321 -1.658 -7.010 394 HG3 GLU 58 1HG GLU 58 13.101 -3.125 -6.049 395 H VAL 59 H VAL 59 10.099 -2.072 -5.242 396 HA VAL 59 HA VAL 59 8.859 0.304 -6.514 397 HB VAL 59 HB VAL 59 7.524 0.476 -4.476 398 HG11 VAL 59 1HG1 VAL 59 6.471 -0.784 -6.205 399 HG12 VAL 59 2HG1 VAL 59 6.156 -1.597 -4.665 400 HG13 VAL 59 3HG1 VAL 59 7.376 -2.234 -5.764 401 HG21 VAL 59 1HG2 VAL 59 8.885 -2.060 -3.667 402 HG22 VAL 59 2HG2 VAL 59 7.534 -1.271 -2.812 403 HG23 VAL 59 3HG2 VAL 59 9.109 -0.454 -2.954 404 H GLU 60 H GLU 60 8.775 2.135 -5.205 405 HA GLU 60 HA GLU 60 10.948 2.456 -3.304 406 HB2 GLU 60 2HB GLU 60 11.631 3.534 -5.401 407 HB3 GLU 60 1HB GLU 60 10.093 4.405 -5.469 408 HG2 GLU 60 2HG GLU 60 10.699 5.638 -3.477 409 HG3 GLU 60 1HG GLU 60 12.190 4.719 -3.333 410 H ALA 61 H ALA 61 9.766 2.467 -1.530 411 HA ALA 61 HA ALA 61 7.080 3.566 -1.466 412 HB1 ALA 61 1HB ALA 61 8.906 2.620 0.760 413 HB2 ALA 61 2HB ALA 61 7.649 1.654 -0.009 414 HB3 ALA 61 3HB ALA 61 7.215 3.064 0.970 415 H LYS 62 H LYS 62 7.467 5.654 -2.100 416 HA LYS 62 HA LYS 62 9.374 7.131 -0.538 417 HB2 LYS 62 2HB LYS 62 9.209 8.851 -2.257 418 HB3 LYS 62 1HB LYS 62 9.833 7.301 -2.787 419 HG2 LYS 62 2HG LYS 62 7.364 6.916 -3.535 420 HG3 LYS 62 1HG LYS 62 7.275 8.688 -3.456 421 HD2 LYS 62 2HD LYS 62 9.200 7.027 -5.084 422 HD3 LYS 62 1HD LYS 62 7.889 8.031 -5.697 423 HE2 LYS 62 2HE LYS 62 9.007 10.031 -4.988 424 HE3 LYS 62 1HE LYS 62 10.230 9.097 -4.127 425 HZ1 LYS 62 1HZ LYS 62 9.864 9.170 -7.082 426 HZ2 LYS 62 2HZ LYS 62 10.961 8.211 -6.236 427 HZ3 LYS 62 3HZ LYS 62 11.117 9.877 -6.189 428 H ASP 63 H ASP 63 5.882 7.119 -0.643 429 HA ASP 63 HA ASP 63 6.040 9.518 0.986 430 HB2 ASP 63 2HB ASP 63 5.448 10.260 -1.260 431 HB3 ASP 63 1HB ASP 63 4.154 9.075 -1.330 432 H GLN 64 H GLN 64 4.136 9.826 2.248 433 HA GLN 64 HA GLN 64 3.392 7.663 3.848 434 HB2 GLN 64 2HB GLN 64 1.747 9.190 4.766 435 HB3 GLN 64 1HB GLN 64 3.376 9.883 4.688 436 HG2 GLN 64 2HG GLN 64 2.643 10.999 2.531 437 HG3 GLN 64 1HG GLN 64 1.015 10.450 2.883 438 HE21 GLN 64 1HE2 GLN 64 -0.179 11.535 4.480 439 HE22 GLN 64 2HE2 GLN 64 0.356 13.032 5.137 440 H ASN 65 H ASN 65 2.012 8.791 0.903 441 HA ASN 65 HA ASN 65 -0.606 7.741 1.420 442 HB2 ASN 65 2HB ASN 65 0.734 8.747 -1.091 443 HB3 ASN 65 1HB ASN 65 -0.865 7.991 -1.128 444 HD21 ASN 65 1HD2 ASN 65 0.985 10.777 -0.070 445 HD22 ASN 65 2HD2 ASN 65 -0.377 11.783 0.244 446 H CYS 66 H CYS 66 2.382 6.471 0.586 447 HA CYS 66 HA CYS 66 3.159 4.541 -0.141 448 HB2 CYS 66 2HB CYS 66 0.742 3.632 1.401 449 HB3 CYS 66 1HB CYS 66 1.948 2.510 0.739 450 H LYS 67 H LYS 67 1.836 5.911 -2.071 451 HA LYS 67 HA LYS 67 0.209 4.380 -3.705 452 HB2 LYS 67 2HB LYS 67 1.039 6.874 -3.765 453 HB3 LYS 67 1HB LYS 67 2.419 6.209 -4.602 454 HG2 LYS 67 2HG LYS 67 1.025 6.989 -6.276 455 HG3 LYS 67 1HG LYS 67 0.755 5.248 -6.264 456 HD2 LYS 67 2HD LYS 67 -0.887 6.768 -4.460 457 HD3 LYS 67 1HD LYS 67 -1.257 7.120 -6.167 458 HE2 LYS 67 2HE LYS 67 -1.574 4.613 -6.422 459 HE3 LYS 67 1HE LYS 67 -1.396 4.461 -4.683 460 HZ1 LYS 67 1HZ LYS 67 -3.335 5.896 -4.394 461 HZ2 LYS 67 2HZ LYS 67 -3.715 4.548 -5.324 462 HZ3 LYS 67 3HZ LYS 67 -3.501 6.031 -6.068 463 H VAL 68 H VAL 68 0.820 2.728 -5.018 464 HA VAL 68 HA VAL 68 3.471 1.723 -4.608 465 HB VAL 68 HB VAL 68 1.776 0.015 -4.620 466 HG11 VAL 68 1HG1 VAL 68 1.115 0.789 -7.451 467 HG12 VAL 68 2HG1 VAL 68 0.089 1.034 -6.037 468 HG13 VAL 68 3HG1 VAL 68 0.463 -0.601 -6.582 469 HG21 VAL 68 1HG2 VAL 68 2.693 -1.547 -6.266 470 HG22 VAL 68 2HG2 VAL 68 3.968 -0.645 -5.447 471 HG23 VAL 68 3HG2 VAL 68 3.491 -0.210 -7.083 472 H ILE 69 H ILE 69 4.976 2.798 -5.469 473 HA ILE 69 HA ILE 69 4.771 3.406 -8.328 474 HB ILE 69 HB ILE 69 6.390 4.876 -6.212 475 HG12 ILE 69 2HG1 ILE 69 4.023 5.819 -7.824 476 HG13 ILE 69 1HG1 ILE 69 3.919 5.208 -6.179 477 HG21 ILE 69 1HG2 ILE 69 6.911 6.458 -8.023 478 HG22 ILE 69 2HG2 ILE 69 6.029 5.443 -9.164 479 HG23 ILE 69 3HG2 ILE 69 7.502 4.839 -8.401 480 HD11 ILE 69 1HD1 ILE 69 5.434 7.667 -7.088 481 HD12 ILE 69 2HD1 ILE 69 5.329 7.084 -5.425 482 HD13 ILE 69 3HD1 ILE 69 3.882 7.659 -6.251 483 H LEU 70 H LEU 70 5.926 2.141 -9.402 484 HA LEU 70 HA LEU 70 8.012 0.623 -8.189 485 HB2 LEU 70 2HB LEU 70 7.009 0.724 -10.995 486 HB3 LEU 70 1HB LEU 70 8.382 -0.252 -10.512 487 HG LEU 70 HG LEU 70 6.485 -1.593 -10.677 488 HD11 LEU 70 1HD1 LEU 70 7.338 -1.260 -7.883 489 HD12 LEU 70 2HD1 LEU 70 7.900 -2.402 -9.112 490 HD13 LEU 70 3HD1 LEU 70 6.266 -2.531 -8.451 491 HD21 LEU 70 1HD2 LEU 70 5.146 0.343 -8.840 492 HD22 LEU 70 2HD2 LEU 70 4.600 -1.300 -8.989 493 HD23 LEU 70 3HD2 LEU 70 4.574 -0.238 -10.415 494 H THR 71 H THR 71 9.958 0.694 -8.529 495 HA THR 71 HA THR 71 10.992 3.354 -9.230 496 HB THR 71 HB THR 71 11.714 2.198 -7.093 497 HG1 THR 71 1HG THR 71 14.156 2.611 -7.901 498 HG21 THR 71 1HG2 THR 71 13.550 0.588 -7.209 499 HG22 THR 71 2HG2 THR 71 13.437 0.580 -8.969 500 HG23 THR 71 3HG2 THR 71 12.099 -0.035 -7.994 501 H ASN 72 H ASN 72 10.328 0.715 -10.805 502 HA ASN 72 HA ASN 72 12.519 0.758 -12.761 503 HB2 ASN 72 2HB ASN 72 10.040 -0.972 -12.593 504 HB3 ASN 72 1HB ASN 72 11.277 -1.107 -13.846 505 HD21 ASN 72 1HD2 ASN 72 10.305 -3.060 -11.969 506 HD22 ASN 72 2HD2 ASN 72 11.679 -3.590 -11.060 507 H GLY 73 H GLY 73 9.707 2.360 -12.117 508 HA2 GLY 73 2HA GLY 73 8.801 4.097 -13.320 509 HA3 GLY 73 1HA GLY 73 9.624 3.515 -14.778 510 H LYS 74 H LYS 74 7.926 1.409 -12.746 511 HA LYS 74 HA LYS 74 5.926 0.908 -14.827 512 HB2 LYS 74 2HB LYS 74 6.895 -0.801 -12.533 513 HB3 LYS 74 1HB LYS 74 5.820 -1.312 -13.827 514 HG2 LYS 74 2HG LYS 74 8.559 -0.289 -14.371 515 HG3 LYS 74 1HG LYS 74 8.335 -1.964 -13.945 516 HD2 LYS 74 2HD LYS 74 6.757 -2.144 -15.887 517 HD3 LYS 74 1HD LYS 74 7.123 -0.467 -16.289 518 HE2 LYS 74 2HE LYS 74 9.120 -2.731 -16.186 519 HE3 LYS 74 1HE LYS 74 8.396 -2.085 -17.654 520 HZ1 LYS 74 1HZ LYS 74 9.487 0.028 -17.225 521 HZ2 LYS 74 2HZ LYS 74 10.612 -1.212 -17.264 522 HZ3 LYS 74 3HZ LYS 74 10.174 -0.553 -15.797 523 H GLN 75 H GLN 75 3.893 0.220 -14.046 524 HA GLN 75 HA GLN 75 3.018 1.418 -11.488 525 HB2 GLN 75 2HB GLN 75 2.165 2.287 -13.886 526 HB3 GLN 75 1HB GLN 75 1.160 0.854 -13.796 527 HG2 GLN 75 2HG GLN 75 1.152 3.188 -11.885 528 HG3 GLN 75 1HG GLN 75 -0.064 2.825 -13.096 529 HE21 GLN 75 1HE2 GLN 75 -1.480 1.086 -12.724 530 HE22 GLN 75 2HE2 GLN 75 -1.694 0.429 -11.142 531 H ALA 76 H ALA 76 1.550 -0.084 -10.320 532 HA ALA 76 HA ALA 76 2.074 -2.838 -11.181 533 HB1 ALA 76 1HB ALA 76 1.896 -1.634 -8.427 534 HB2 ALA 76 2HB ALA 76 3.246 -2.488 -9.200 535 HB3 ALA 76 3HB ALA 76 1.829 -3.368 -8.713 536 HA PRO 77 HA PRO 77 -2.282 -3.894 -11.419 537 HB2 PRO 77 2HB PRO 77 -1.709 -6.231 -9.729 538 HB3 PRO 77 1HB PRO 77 -2.341 -6.164 -11.392 539 HG2 PRO 77 2HG PRO 77 0.102 -7.015 -10.897 540 HG3 PRO 77 1HG PRO 77 -0.268 -6.028 -12.337 541 HD2 PRO 77 2HD PRO 77 1.055 -5.232 -9.795 542 HD3 PRO 77 1HD PRO 77 1.400 -4.736 -11.472 543 H ASP 78 H ASP 78 -4.177 -4.344 -10.128 544 HA ASP 78 HA ASP 78 -4.439 -2.600 -7.957 545 HB2 ASP 78 2HB ASP 78 -6.258 -4.860 -8.800 546 HB3 ASP 78 1HB ASP 78 -6.657 -3.654 -7.591 547 H TRP 79 H TRP 79 -3.737 -6.000 -8.115 548 HA TRP 79 HA TRP 79 -4.357 -6.487 -5.398 549 HB2 TRP 79 2HB TRP 79 -3.372 -8.712 -5.723 550 HB3 TRP 79 1HB TRP 79 -4.518 -8.289 -6.991 551 HD1 TRP 79 HD TRP 79 -3.615 -8.106 -9.367 552 HE1 TRP 79 1HE TRP 79 -1.453 -8.932 -10.509 553 HE3 TRP 79 3HE TRP 79 -0.787 -8.969 -5.172 554 HZ2 TRP 79 2HZ TRP 79 1.109 -9.818 -9.712 555 HZ3 TRP 79 3HZ TRP 79 1.480 -9.784 -5.466 556 HH2 TRP 79 HH TRP 79 2.413 -10.212 -7.675 557 H LEU 80 H LEU 80 -1.654 -4.964 -6.778 558 HA LEU 80 HA LEU 80 -0.080 -5.800 -4.502 559 HB2 LEU 80 2HB LEU 80 0.959 -5.632 -6.763 560 HB3 LEU 80 1HB LEU 80 0.699 -3.882 -6.705 561 HG LEU 80 HG LEU 80 2.099 -3.784 -4.694 562 HD11 LEU 80 1HD1 LEU 80 2.541 -6.690 -5.321 563 HD12 LEU 80 2HD1 LEU 80 1.782 -6.027 -3.872 564 HD13 LEU 80 3HD1 LEU 80 3.507 -5.765 -4.168 565 HD21 LEU 80 1HD2 LEU 80 3.102 -3.391 -6.913 566 HD22 LEU 80 2HD2 LEU 80 3.482 -5.108 -7.024 567 HD23 LEU 80 3HD2 LEU 80 4.247 -4.114 -5.786 568 H ALA 81 H ALA 81 -0.772 -4.861 -2.751 569 HA ALA 81 HA ALA 81 -1.604 -2.030 -2.812 570 HB1 ALA 81 1HB ALA 81 -2.673 -2.518 -0.679 571 HB2 ALA 81 2HB ALA 81 -2.113 -4.184 -0.787 572 HB3 ALA 81 3HB ALA 81 -3.279 -3.564 -1.964 573 H ALA 82 H ALA 82 -1.092 -0.755 -1.066 574 HA ALA 82 HA ALA 82 1.015 -1.463 0.761 575 HB1 ALA 82 1HB ALA 82 2.315 -0.760 -1.210 576 HB2 ALA 82 2HB ALA 82 2.515 0.367 0.134 577 HB3 ALA 82 3HB ALA 82 1.458 0.783 -1.216 578 H GLU 83 H GLU 83 0.668 -0.449 2.666 579 HA GLU 83 HA GLU 83 -0.760 2.079 2.764 580 HB2 GLU 83 2HB GLU 83 -2.240 1.154 4.572 581 HB3 GLU 83 1HB GLU 83 -2.515 0.379 3.019 582 HG2 GLU 83 2HG GLU 83 -1.490 -1.578 3.770 583 HG3 GLU 83 1HG GLU 83 -0.780 -0.764 5.169 584 HA PRO 84 HA PRO 84 2.376 2.770 6.101 585 HB2 PRO 84 2HB PRO 84 0.873 4.465 7.571 586 HB3 PRO 84 1HB PRO 84 1.796 4.982 6.161 587 HG2 PRO 84 2HG PRO 84 -1.104 4.353 6.405 588 HG3 PRO 84 1HG PRO 84 -0.306 5.682 5.531 589 HD2 PRO 84 2HD PRO 84 -1.156 3.645 4.123 590 HD3 PRO 84 1HD PRO 84 0.475 4.314 3.875 591 H TYR 85 H TYR 85 2.895 1.555 7.590 592 HA TYR 85 HA TYR 85 0.932 0.553 9.479 593 HB2 TYR 85 2HB TYR 85 2.189 -1.261 9.011 594 HB3 TYR 85 1HB TYR 85 3.669 -0.423 8.671 595 HD1 TYR 85 1HD TYR 85 5.338 -0.479 10.369 596 HD2 TYR 85 2HD TYR 85 1.349 -1.533 11.395 597 HE1 TYR 85 1HE TYR 85 6.108 -1.213 12.574 598 HE2 TYR 85 2HE TYR 85 2.121 -2.272 13.610 599 HH TYR 85 HH TYR 85 4.175 -3.012 14.698 Start of MODEL 11 1 H SER 7 1HT SER 7 -2.511 -18.955 -6.122 2 HA SER 7 HA SER 7 -3.934 -17.721 -4.664 3 HB2 SER 7 2HB SER 7 -2.172 -15.389 -5.457 4 HB3 SER 7 1HB SER 7 -3.517 -15.362 -4.308 5 HG SER 7 HG SER 7 -1.735 -15.556 -3.102 6 H GLY 8 H GLY 8 -5.826 -17.022 -5.711 7 HA2 GLY 8 2HA GLY 8 -5.572 -16.565 -8.580 8 HA3 GLY 8 1HA GLY 8 -7.040 -17.073 -7.734 9 H ARG 9 H ARG 9 -6.849 -14.820 -9.439 10 HA ARG 9 HA ARG 9 -6.881 -12.638 -7.512 11 HB2 ARG 9 2HB ARG 9 -6.640 -12.534 -10.504 12 HB3 ARG 9 1HB ARG 9 -6.974 -11.110 -9.531 13 HG2 ARG 9 2HG ARG 9 -4.650 -11.106 -9.991 14 HG3 ARG 9 1HG ARG 9 -4.848 -11.547 -8.298 15 HD2 ARG 9 2HD ARG 9 -4.729 -13.979 -9.174 16 HD3 ARG 9 1HD ARG 9 -4.031 -13.242 -10.621 17 HE ARG 9 HE ARG 9 -2.771 -12.218 -8.370 18 HH11 ARG 9 1HH1 ARG 9 -2.833 -15.178 -10.286 19 HH12 ARG 9 2HH1 ARG 9 -1.441 -15.851 -9.581 20 HH21 ARG 9 1HH2 ARG 9 -0.896 -13.064 -7.410 21 HH22 ARG 9 2HH2 ARG 9 -0.284 -14.596 -7.869 22 H GLU 10 H GLU 10 -8.715 -12.683 -6.583 23 HA GLU 10 HA GLU 10 -11.234 -13.041 -7.909 24 HB2 GLU 10 2HB GLU 10 -10.715 -13.573 -5.460 25 HB3 GLU 10 1HB GLU 10 -10.671 -11.842 -5.171 26 HG2 GLU 10 2HG GLU 10 -13.003 -11.642 -5.663 27 HG3 GLU 10 1HG GLU 10 -13.068 -13.311 -6.228 28 H ASN 11 H ASN 11 -12.781 -11.304 -8.290 29 HA ASN 11 HA ASN 11 -11.559 -9.074 -9.481 30 HB2 ASN 11 2HB ASN 11 -14.455 -9.577 -8.819 31 HB3 ASN 11 1HB ASN 11 -13.912 -8.104 -9.615 32 HD21 ASN 11 1HD2 ASN 11 -14.385 -11.537 -9.957 33 HD22 ASN 11 2HD2 ASN 11 -14.159 -11.578 -11.663 34 H LEU 12 H LEU 12 -10.663 -7.463 -8.633 35 HA LEU 12 HA LEU 12 -10.913 -7.096 -5.829 36 HB2 LEU 12 2HB LEU 12 -9.073 -5.540 -5.971 37 HB3 LEU 12 1HB LEU 12 -8.717 -7.026 -6.812 38 HG LEU 12 HG LEU 12 -9.443 -5.658 -8.896 39 HD11 LEU 12 1HD1 LEU 12 -10.201 -3.666 -7.788 40 HD12 LEU 12 2HD1 LEU 12 -8.807 -3.296 -8.804 41 HD13 LEU 12 3HD1 LEU 12 -8.614 -3.428 -7.058 42 HD21 LEU 12 1HD2 LEU 12 -6.795 -5.312 -7.510 43 HD22 LEU 12 2HD2 LEU 12 -7.088 -4.945 -9.205 44 HD23 LEU 12 3HD2 LEU 12 -7.247 -6.604 -8.621 45 H TYR 13 H TYR 13 -11.172 -5.230 -4.786 46 HA TYR 13 HA TYR 13 -12.861 -3.175 -5.985 47 HB2 TYR 13 2HB TYR 13 -13.407 -4.598 -3.343 48 HB3 TYR 13 1HB TYR 13 -14.296 -3.204 -3.943 49 HD1 TYR 13 1HD TYR 13 -14.147 -6.769 -3.864 50 HD2 TYR 13 2HD TYR 13 -15.498 -3.475 -6.186 51 HE1 TYR 13 1HE TYR 13 -15.684 -8.261 -5.075 52 HE2 TYR 13 2HE TYR 13 -17.039 -4.952 -7.396 53 HH TYR 13 HH TYR 13 -17.267 -7.241 -7.933 54 H PHE 14 H PHE 14 -12.507 -1.156 -4.875 55 HA PHE 14 HA PHE 14 -9.887 -1.217 -3.794 56 HB2 PHE 14 2HB PHE 14 -11.648 1.118 -4.482 57 HB3 PHE 14 1HB PHE 14 -10.087 1.310 -3.675 58 HD1 PHE 14 1HD PHE 14 -11.688 -0.055 -6.734 59 HD2 PHE 14 2HD PHE 14 -8.077 1.164 -4.850 60 HE1 PHE 14 1HE PHE 14 -10.503 -0.276 -8.874 61 HE2 PHE 14 2HE PHE 14 -6.891 0.954 -6.980 62 HZ PHE 14 HZ PHE 14 -8.096 0.230 -9.003 63 H GLN 15 H GLN 15 -9.202 -1.199 -1.989 64 HA GLN 15 HA GLN 15 -10.817 -2.055 0.113 65 HB2 GLN 15 2HB GLN 15 -7.916 -1.246 0.079 66 HB3 GLN 15 1HB GLN 15 -8.710 -2.146 1.370 67 HG2 GLN 15 2HG GLN 15 -9.196 -3.963 -0.130 68 HG3 GLN 15 1HG GLN 15 -8.533 -3.057 -1.481 69 HE21 GLN 15 1HE2 GLN 15 -6.298 -2.887 -1.679 70 HE22 GLN 15 2HE2 GLN 15 -5.225 -3.886 -0.773 71 H GLY 16 H GLY 16 -11.645 -1.166 1.713 72 HA2 GLY 16 2HA GLY 16 -12.030 1.594 2.022 73 HA3 GLY 16 1HA GLY 16 -12.424 0.373 3.221 74 H HIS 17 H HIS 17 -11.762 2.388 4.432 75 HA HIS 17 HA HIS 17 -9.545 3.787 4.565 76 HB2 HIS 17 2HB HIS 17 -11.001 2.709 6.961 77 HB3 HIS 17 1HB HIS 17 -9.746 3.938 7.066 78 HD1 HIS 17 1HD HIS 17 -10.471 6.351 6.600 79 HD2 HIS 17 2HD HIS 17 -13.332 3.531 5.545 80 HE1 HIS 17 1HE HIS 17 -12.550 7.640 6.044 81 H MET 18 H MET 18 -7.601 3.375 4.299 82 HA MET 18 HA MET 18 -6.282 0.988 5.281 83 HB2 MET 18 2HB MET 18 -4.967 3.375 3.985 84 HB3 MET 18 1HB MET 18 -4.387 1.722 4.038 85 HG2 MET 18 2HG MET 18 -6.691 2.768 2.398 86 HG3 MET 18 1HG MET 18 -5.055 2.350 1.885 87 HE1 MET 18 1HE MET 18 -4.314 -0.481 2.877 88 HE2 MET 18 2HE MET 18 -4.267 0.076 1.203 89 HE3 MET 18 3HE MET 18 -5.047 -1.457 1.604 90 H ALA 19 H ALA 19 -3.972 1.636 6.189 91 HA ALA 19 HA ALA 19 -4.532 2.816 8.711 92 HB1 ALA 19 1HB ALA 19 -1.914 1.849 7.623 93 HB2 ALA 19 2HB ALA 19 -3.126 0.860 8.431 94 HB3 ALA 19 3HB ALA 19 -2.304 2.151 9.314 95 H ALA 20 H ALA 20 -2.613 4.098 9.658 96 HA ALA 20 HA ALA 20 -2.686 6.694 8.337 97 HB1 ALA 20 1HB ALA 20 -1.865 5.959 11.144 98 HB2 ALA 20 2HB ALA 20 -3.457 6.542 10.656 99 HB3 ALA 20 3HB ALA 20 -2.050 7.597 10.520 100 HA PRO 21 HA PRO 21 1.524 6.711 6.836 101 HB2 PRO 21 2HB PRO 21 1.485 9.456 8.025 102 HB3 PRO 21 1HB PRO 21 2.021 8.946 6.405 103 HG2 PRO 21 2HG PRO 21 -0.286 10.098 6.618 104 HG3 PRO 21 1HG PRO 21 -0.140 8.626 5.636 105 HD2 PRO 21 2HD PRO 21 -1.313 8.940 8.358 106 HD3 PRO 21 1HD PRO 21 -1.857 7.949 6.988 107 H ALA 22 H ALA 22 3.112 5.688 7.788 108 HA ALA 22 HA ALA 22 3.970 6.453 10.492 109 HB1 ALA 22 1HB ALA 22 2.379 4.624 10.657 110 HB2 ALA 22 2HB ALA 22 4.006 4.070 11.080 111 HB3 ALA 22 3HB ALA 22 3.326 3.691 9.502 112 H ARG 23 H ARG 23 5.174 6.896 7.933 113 HA ARG 23 HA ARG 23 7.103 6.792 6.848 114 HB2 ARG 23 2HB ARG 23 7.980 6.482 9.659 115 HB3 ARG 23 1HB ARG 23 9.190 6.316 8.390 116 HG2 ARG 23 2HG ARG 23 7.322 8.647 8.593 117 HG3 ARG 23 1HG ARG 23 8.943 8.627 9.318 118 HD2 ARG 23 2HD ARG 23 9.934 8.287 7.122 119 HD3 ARG 23 1HD ARG 23 8.359 8.164 6.380 120 HE ARG 23 HE ARG 23 8.197 10.582 7.370 121 HH11 ARG 23 1HH1 ARG 23 11.056 9.168 5.834 122 HH12 ARG 23 2HH1 ARG 23 11.422 10.541 4.905 123 HH21 ARG 23 1HH2 ARG 23 8.737 12.501 6.152 124 HH22 ARG 23 2HH2 ARG 23 10.093 12.504 5.127 125 H SER 24 H SER 24 5.672 4.362 6.876 126 HA SER 24 HA SER 24 7.605 2.871 5.351 127 HB2 SER 24 2HB SER 24 6.200 1.653 7.738 128 HB3 SER 24 1HB SER 24 7.063 0.704 6.531 129 HG SER 24 HG SER 24 8.505 2.787 7.619 130 H CYS 25 H CYS 25 6.517 1.901 3.605 131 HA CYS 25 HA CYS 25 3.595 1.931 3.732 132 HB2 CYS 25 2HB CYS 25 5.497 2.036 1.361 133 HB3 CYS 25 1HB CYS 25 3.760 1.745 1.225 134 H VAL 26 H VAL 26 2.672 -0.007 3.573 135 HA VAL 26 HA VAL 26 4.489 -2.296 3.570 136 HB VAL 26 HB VAL 26 1.736 -2.113 4.843 137 HG11 VAL 26 1HG1 VAL 26 4.128 -3.778 5.452 138 HG12 VAL 26 2HG1 VAL 26 2.676 -4.344 4.587 139 HG13 VAL 26 3HG1 VAL 26 2.577 -3.805 6.281 140 HG21 VAL 26 1HG2 VAL 26 3.018 -0.323 5.638 141 HG22 VAL 26 2HG2 VAL 26 4.353 -1.409 6.039 142 HG23 VAL 26 3HG2 VAL 26 2.780 -1.554 6.876 143 H TYR 27 H TYR 27 4.181 -3.689 2.029 144 HA TYR 27 HA TYR 27 2.037 -3.136 0.160 145 HB2 TYR 27 2HB TYR 27 4.673 -4.570 -0.196 146 HB3 TYR 27 1HB TYR 27 3.445 -4.451 -1.460 147 HD1 TYR 27 1HD TYR 27 5.372 -2.255 0.870 148 HD2 TYR 27 2HD TYR 27 3.574 -2.645 -2.955 149 HE1 TYR 27 1HE TYR 27 6.244 -0.066 0.276 150 HE2 TYR 27 2HE TYR 27 4.467 -0.417 -3.568 151 HH TYR 27 HH TYR 27 5.170 1.633 -2.496 152 H TYR 28 H TYR 28 0.519 -4.434 -0.304 153 HA TYR 28 HA TYR 28 0.428 -7.062 0.977 154 HB2 TYR 28 2HB TYR 28 -1.799 -5.032 0.713 155 HB3 TYR 28 1HB TYR 28 -1.960 -6.702 1.203 156 HD1 TYR 28 1HD TYR 28 -0.464 -3.427 2.289 157 HD2 TYR 28 2HD TYR 28 -1.736 -7.337 3.425 158 HE1 TYR 28 1HE TYR 28 -0.254 -2.835 4.637 159 HE2 TYR 28 2HE TYR 28 -1.515 -6.739 5.765 160 HH TYR 28 HH TYR 28 -0.325 -5.078 7.159 161 H ASP 29 H ASP 29 -0.710 -8.532 -0.112 162 HA ASP 29 HA ASP 29 -1.458 -8.060 -2.928 163 HB2 ASP 29 2HB ASP 29 -0.176 -10.082 -2.385 164 HB3 ASP 29 1HB ASP 29 -1.340 -10.459 -1.118 165 H GLY 30 H GLY 30 -3.431 -7.040 -2.916 166 HA2 GLY 30 2HA GLY 30 -5.491 -8.361 -1.339 167 HA3 GLY 30 1HA GLY 30 -5.276 -6.687 -0.963 168 H HIS 31 H HIS 31 -7.153 -8.564 -2.201 169 HA HIS 31 HA HIS 31 -7.880 -7.126 -4.658 170 HB2 HIS 31 2HB HIS 31 -8.946 -9.714 -3.490 171 HB3 HIS 31 1HB HIS 31 -9.398 -9.020 -5.053 172 HD1 HIS 31 1HD HIS 31 -6.834 -11.171 -3.413 173 HD2 HIS 31 2HD HIS 31 -7.289 -9.106 -6.988 174 HE1 HIS 31 1HE HIS 31 -5.130 -12.114 -4.970 175 H LEU 32 H LEU 32 -9.075 -8.135 -1.472 176 HA LEU 32 HA LEU 32 -11.157 -6.141 -1.581 177 HB2 LEU 32 2HB LEU 32 -11.867 -8.512 -2.076 178 HB3 LEU 32 1HB LEU 32 -11.191 -8.996 -0.549 179 HG LEU 32 HG LEU 32 -13.394 -7.021 -0.723 180 HD11 LEU 32 1HD1 LEU 32 -14.100 -9.023 -1.970 181 HD12 LEU 32 2HD1 LEU 32 -14.958 -8.946 -0.432 182 HD13 LEU 32 3HD1 LEU 32 -13.594 -10.046 -0.624 183 HD21 LEU 32 1HD2 LEU 32 -12.356 -7.248 1.458 184 HD22 LEU 32 2HD2 LEU 32 -12.546 -8.994 1.398 185 HD23 LEU 32 3HD2 LEU 32 -13.971 -7.960 1.518 186 HA PRO 33 HA PRO 33 -9.002 -4.631 2.034 187 HB2 PRO 33 2HB PRO 33 -11.071 -4.223 3.816 188 HB3 PRO 33 1HB PRO 33 -10.631 -3.108 2.503 189 HG2 PRO 33 2HG PRO 33 -12.702 -5.241 2.521 190 HG3 PRO 33 1HG PRO 33 -12.834 -3.567 1.945 191 HD2 PRO 33 2HD PRO 33 -12.507 -5.458 0.185 192 HD3 PRO 33 1HD PRO 33 -11.505 -3.992 0.042 193 H ALA 34 H ALA 34 -10.823 -7.506 2.412 194 HA ALA 34 HA ALA 34 -9.822 -8.005 5.128 195 HB1 ALA 34 1HB ALA 34 -11.159 -10.028 5.010 196 HB2 ALA 34 2HB ALA 34 -11.462 -9.731 3.310 197 HB3 ALA 34 3HB ALA 34 -12.150 -8.641 4.517 198 H THR 35 H THR 35 -9.163 -8.738 1.816 199 HA THR 35 HA THR 35 -7.843 -11.230 2.433 200 HB THR 35 HB THR 35 -7.907 -10.426 -0.355 201 HG1 THR 35 1HG THR 35 -10.426 -10.748 0.914 202 HG21 THR 35 1HG2 THR 35 -7.723 -12.724 0.520 203 HG22 THR 35 2HG2 THR 35 -9.191 -12.518 -0.477 204 HG23 THR 35 3HG2 THR 35 -9.299 -12.510 1.281 205 H ARG 36 H ARG 36 -6.862 -8.197 2.599 206 HA ARG 36 HA ARG 36 -4.575 -8.161 0.946 207 HB2 ARG 36 2HB ARG 36 -3.802 -6.292 2.593 208 HB3 ARG 36 1HB ARG 36 -5.155 -6.014 1.514 209 HG2 ARG 36 2HG ARG 36 -6.698 -6.488 3.384 210 HG3 ARG 36 1HG ARG 36 -5.305 -6.694 4.448 211 HD2 ARG 36 2HD ARG 36 -4.786 -4.440 4.417 212 HD3 ARG 36 1HD ARG 36 -5.550 -4.181 2.849 213 HE ARG 36 HE ARG 36 -7.481 -4.933 4.714 214 HH11 ARG 36 1HH1 ARG 36 -5.329 -2.154 4.374 215 HH12 ARG 36 2HH1 ARG 36 -6.533 -0.983 4.558 216 HH21 ARG 36 1HH2 ARG 36 -9.162 -3.308 5.082 217 HH22 ARG 36 2HH2 ARG 36 -8.768 -1.644 5.004 218 H VAL 37 H VAL 37 -2.945 -9.341 0.999 219 HA VAL 37 HA VAL 37 -2.219 -10.820 3.432 220 HB VAL 37 HB VAL 37 -1.128 -11.175 0.630 221 HG11 VAL 37 1HG1 VAL 37 -1.045 -13.026 2.995 222 HG12 VAL 37 2HG1 VAL 37 0.306 -12.099 2.340 223 HG13 VAL 37 3HG1 VAL 37 -0.434 -13.380 1.380 224 HG21 VAL 37 1HG2 VAL 37 -2.645 -13.078 0.383 225 HG22 VAL 37 2HG2 VAL 37 -3.536 -11.568 0.606 226 HG23 VAL 37 3HG2 VAL 37 -3.364 -12.701 1.948 227 H LEU 38 H LEU 38 -0.402 -10.364 4.500 228 HA LEU 38 HA LEU 38 0.991 -7.965 3.944 229 HB2 LEU 38 2HB LEU 38 0.424 -8.948 6.195 230 HB3 LEU 38 1HB LEU 38 1.608 -10.189 5.901 231 HG LEU 38 HG LEU 38 2.328 -8.475 7.497 232 HD11 LEU 38 1HD1 LEU 38 4.536 -7.954 6.578 233 HD12 LEU 38 2HD1 LEU 38 3.988 -8.466 4.982 234 HD13 LEU 38 3HD1 LEU 38 4.086 -9.636 6.298 235 HD21 LEU 38 1HD2 LEU 38 1.153 -6.588 6.612 236 HD22 LEU 38 2HD2 LEU 38 2.185 -6.590 5.178 237 HD23 LEU 38 3HD2 LEU 38 2.873 -6.233 6.759 238 H LEU 39 H LEU 39 2.361 -7.899 2.230 239 HA LEU 39 HA LEU 39 3.982 -10.229 1.606 240 HB2 LEU 39 2HB LEU 39 3.756 -7.563 0.228 241 HB3 LEU 39 1HB LEU 39 4.709 -8.917 -0.346 242 HG LEU 39 HG LEU 39 1.701 -8.861 -0.096 243 HD11 LEU 39 1HD1 LEU 39 1.749 -8.880 -2.539 244 HD12 LEU 39 2HD1 LEU 39 3.511 -8.777 -2.502 245 HD13 LEU 39 3HD1 LEU 39 2.534 -7.445 -1.885 246 HD21 LEU 39 1HD2 LEU 39 2.602 -11.078 0.286 247 HD22 LEU 39 2HD2 LEU 39 3.579 -10.946 -1.176 248 HD23 LEU 39 3HD2 LEU 39 1.812 -11.001 -1.294 249 H MET 40 H MET 40 4.569 -6.749 2.097 250 HA MET 40 HA MET 40 7.087 -7.342 3.448 251 HB2 MET 40 2HB MET 40 7.638 -7.515 1.064 252 HB3 MET 40 1HB MET 40 6.949 -5.911 0.799 253 HG2 MET 40 2HG MET 40 9.322 -5.684 0.841 254 HG3 MET 40 1HG MET 40 8.640 -4.993 2.317 255 HE1 MET 40 1HE MET 40 10.811 -9.041 2.090 256 HE2 MET 40 2HE MET 40 10.586 -7.951 0.722 257 HE3 MET 40 3HE MET 40 9.199 -8.789 1.420 258 H TYR 41 H TYR 41 7.727 -5.672 4.736 259 HA TYR 41 HA TYR 41 6.239 -3.151 4.731 260 HB2 TYR 41 2HB TYR 41 8.354 -4.291 6.591 261 HB3 TYR 41 1HB TYR 41 7.677 -2.687 6.760 262 HD1 TYR 41 1HD TYR 41 5.546 -2.361 7.779 263 HD2 TYR 41 2HD TYR 41 6.957 -6.301 7.056 264 HE1 TYR 41 1HE TYR 41 3.796 -3.269 9.265 265 HE2 TYR 41 2HE TYR 41 5.207 -7.194 8.531 266 HH TYR 41 HH TYR 41 3.834 -6.410 10.391 267 H VAL 42 H VAL 42 7.091 -1.407 3.659 268 HA VAL 42 HA VAL 42 9.963 -1.461 3.042 269 HB VAL 42 HB VAL 42 7.799 -0.105 1.469 270 HG11 VAL 42 1HG1 VAL 42 9.562 0.169 -0.225 271 HG12 VAL 42 2HG1 VAL 42 10.725 -0.576 0.871 272 HG13 VAL 42 3HG1 VAL 42 9.989 0.969 1.288 273 HG21 VAL 42 1HG2 VAL 42 8.170 -1.867 -0.196 274 HG22 VAL 42 2HG2 VAL 42 7.567 -2.502 1.339 275 HG23 VAL 42 3HG2 VAL 42 9.277 -2.673 0.928 276 H ARG 43 H ARG 43 11.007 0.086 4.255 277 HA ARG 43 HA ARG 43 9.645 2.109 5.686 278 HB2 ARG 43 2HB ARG 43 11.855 1.142 6.329 279 HB3 ARG 43 1HB ARG 43 12.569 1.937 4.929 280 HG2 ARG 43 2HG ARG 43 11.598 4.097 5.992 281 HG3 ARG 43 1HG ARG 43 11.536 3.126 7.466 282 HD2 ARG 43 2HD ARG 43 13.931 2.596 7.168 283 HD3 ARG 43 1HD ARG 43 13.907 3.633 5.733 284 HE ARG 43 HE ARG 43 13.533 4.514 8.495 285 HH11 ARG 43 1HH1 ARG 43 14.229 5.373 5.114 286 HH12 ARG 43 2HH1 ARG 43 14.953 6.850 5.480 287 HH21 ARG 43 1HH2 ARG 43 14.549 6.604 8.984 288 HH22 ARG 43 2HH2 ARG 43 15.144 7.563 7.718 289 H ILE 44 H ILE 44 9.515 4.211 5.225 290 HA ILE 44 HA ILE 44 9.428 5.068 2.484 291 HB ILE 44 HB ILE 44 9.535 6.889 4.900 292 HG12 ILE 44 2HG1 ILE 44 7.705 5.360 4.972 293 HG13 ILE 44 1HG1 ILE 44 7.125 7.027 4.847 294 HG21 ILE 44 1HG2 ILE 44 8.656 7.495 2.093 295 HG22 ILE 44 2HG2 ILE 44 10.100 8.097 2.905 296 HG23 ILE 44 3HG2 ILE 44 8.501 8.589 3.468 297 HD11 ILE 44 1HD1 ILE 44 5.736 5.519 3.663 298 HD12 ILE 44 2HD1 ILE 44 7.077 4.824 2.784 299 HD13 ILE 44 3HD1 ILE 44 6.568 6.505 2.475 300 H GLY 45 H GLY 45 10.967 5.607 1.312 301 HA2 GLY 45 2HA GLY 45 12.864 7.025 0.757 302 HA3 GLY 45 1HA GLY 45 13.444 6.793 2.405 303 H ASN 46 H ASN 46 12.166 3.960 1.235 304 HA ASN 46 HA ASN 46 14.795 2.998 0.345 305 HB2 ASN 46 2HB ASN 46 14.412 2.401 2.643 306 HB3 ASN 46 1HB ASN 46 12.873 1.667 2.158 307 HD21 ASN 46 1HD2 ASN 46 13.540 -0.391 3.004 308 HD22 ASN 46 2HD2 ASN 46 14.748 -1.339 2.248 309 H THR 47 H THR 47 14.690 1.113 -0.845 310 HA THR 47 HA THR 47 12.233 0.801 -2.446 311 HB THR 47 HB THR 47 13.687 -0.158 -4.131 312 HG1 THR 47 1HG THR 47 15.529 -0.749 -3.303 313 HG21 THR 47 1HG2 THR 47 14.420 2.681 -3.370 314 HG22 THR 47 2HG2 THR 47 13.092 2.182 -4.420 315 HG23 THR 47 3HG2 THR 47 14.759 1.963 -4.943 316 H ALA 48 H ALA 48 11.773 -1.312 -3.041 317 HA ALA 48 HA ALA 48 13.170 -3.416 -1.597 318 HB1 ALA 48 1HB ALA 48 11.264 -4.334 -0.453 319 HB2 ALA 48 2HB ALA 48 10.227 -3.062 -1.089 320 HB3 ALA 48 3HB ALA 48 11.519 -2.667 0.049 321 H THR 49 H THR 49 13.485 -4.951 -2.819 322 HA THR 49 HA THR 49 12.230 -5.707 -5.203 323 HB THR 49 HB THR 49 13.708 -7.510 -3.283 324 HG1 THR 49 1HG THR 49 14.716 -5.384 -4.884 325 HG21 THR 49 1HG2 THR 49 12.980 -8.478 -5.416 326 HG22 THR 49 2HG2 THR 49 14.741 -8.353 -5.360 327 HG23 THR 49 3HG2 THR 49 13.798 -7.187 -6.292 328 H ILE 50 H ILE 50 10.018 -6.038 -4.968 329 HA ILE 50 HA ILE 50 9.013 -7.833 -2.851 330 HB ILE 50 HB ILE 50 7.459 -6.500 -5.076 331 HG12 ILE 50 2HG1 ILE 50 8.549 -4.749 -3.801 332 HG13 ILE 50 1HG1 ILE 50 6.806 -4.755 -3.496 333 HG21 ILE 50 1HG2 ILE 50 5.507 -6.802 -3.613 334 HG22 ILE 50 2HG2 ILE 50 6.533 -7.623 -2.437 335 HG23 ILE 50 3HG2 ILE 50 6.278 -8.333 -4.032 336 HD11 ILE 50 1HD1 ILE 50 8.948 -5.879 -1.735 337 HD12 ILE 50 2HD1 ILE 50 7.212 -5.938 -1.414 338 HD13 ILE 50 3HD1 ILE 50 8.057 -4.370 -1.465 339 H THR 51 H THR 51 9.250 -9.975 -3.417 340 HA THR 51 HA THR 51 8.799 -10.611 -6.240 341 HB THR 51 HB THR 51 9.449 -12.536 -4.005 342 HG1 THR 51 1HG THR 51 10.877 -10.554 -4.949 343 HG21 THR 51 1HG2 THR 51 10.339 -13.912 -5.847 344 HG22 THR 51 2HG2 THR 51 9.933 -12.641 -6.997 345 HG23 THR 51 3HG2 THR 51 8.649 -13.505 -6.153 346 H ALA 52 H ALA 52 6.831 -11.106 -6.855 347 HA ALA 52 HA ALA 52 5.041 -12.582 -5.106 348 HB1 ALA 52 1HB ALA 52 3.151 -11.087 -5.679 349 HB2 ALA 52 2HB ALA 52 4.273 -9.985 -6.475 350 HB3 ALA 52 3HB ALA 52 4.384 -10.252 -4.739 351 H ARG 53 H ARG 53 4.356 -14.251 -6.235 352 HA ARG 53 HA ARG 53 3.931 -15.679 -7.806 353 HB2 ARG 53 2HB ARG 53 2.165 -13.946 -8.305 354 HB3 ARG 53 1HB ARG 53 3.237 -13.341 -9.585 355 HG2 ARG 53 2HG ARG 53 3.353 -15.537 -10.472 356 HG3 ARG 53 1HG ARG 53 2.167 -16.093 -9.297 357 HD2 ARG 53 2HD ARG 53 0.514 -14.483 -10.218 358 HD3 ARG 53 1HD ARG 53 1.701 -13.993 -11.436 359 HE ARG 53 HE ARG 53 1.398 -16.744 -11.569 360 HH11 ARG 53 1HH1 ARG 53 -0.524 -13.859 -12.280 361 HH12 ARG 53 2HH1 ARG 53 -1.458 -14.618 -13.488 362 HH21 ARG 53 1HH2 ARG 53 0.121 -17.768 -13.176 363 HH22 ARG 53 2HH2 ARG 53 -1.063 -16.900 -14.025 364 H GLY 54 H GLY 54 6.476 -14.668 -7.497 365 HA2 GLY 54 2HA GLY 54 8.552 -15.262 -8.412 366 HA3 GLY 54 1HA GLY 54 7.710 -15.722 -9.898 367 H HIS 55 H HIS 55 6.691 -12.652 -9.269 368 HA HIS 55 HA HIS 55 8.763 -11.529 -11.042 369 HB2 HIS 55 2HB HIS 55 6.107 -10.341 -10.180 370 HB3 HIS 55 1HB HIS 55 7.231 -9.646 -11.349 371 HD1 HIS 55 1HD HIS 55 7.035 -10.511 -13.777 372 HD2 HIS 55 2HD HIS 55 4.560 -12.462 -11.075 373 HE1 HIS 55 1HE HIS 55 5.363 -11.781 -15.161 374 H GLU 56 H GLU 56 10.206 -10.058 -10.214 375 HA GLU 56 HA GLU 56 9.715 -9.180 -7.503 376 HB2 GLU 56 2HB GLU 56 12.063 -8.600 -9.316 377 HB3 GLU 56 1HB GLU 56 11.878 -8.002 -7.689 378 HG2 GLU 56 2HG GLU 56 13.375 -9.758 -7.476 379 HG3 GLU 56 1HG GLU 56 11.824 -10.461 -7.011 380 H PHE 57 H PHE 57 8.864 -7.216 -7.107 381 HA PHE 57 HA PHE 57 8.793 -5.256 -9.276 382 HB2 PHE 57 2HB PHE 57 7.083 -5.550 -6.775 383 HB3 PHE 57 1HB PHE 57 6.911 -4.311 -8.014 384 HD1 PHE 57 1HD PHE 57 5.840 -4.824 -10.121 385 HD2 PHE 57 2HD PHE 57 6.279 -7.791 -7.105 386 HE1 PHE 57 1HE PHE 57 4.159 -6.219 -11.252 387 HE2 PHE 57 2HE PHE 57 4.600 -9.193 -8.240 388 HZ PHE 57 HZ PHE 57 3.535 -8.413 -10.288 389 H GLU 58 H GLU 58 10.663 -4.122 -8.856 390 HA GLU 58 HA GLU 58 11.453 -3.718 -6.094 391 HB2 GLU 58 2HB GLU 58 13.095 -3.956 -7.980 392 HB3 GLU 58 1HB GLU 58 12.534 -2.398 -8.604 393 HG2 GLU 58 2HG GLU 58 14.521 -1.860 -7.452 394 HG3 GLU 58 1HG GLU 58 13.225 -1.514 -6.302 395 H VAL 59 H VAL 59 10.254 -2.375 -4.988 396 HA VAL 59 HA VAL 59 8.855 -0.181 -6.361 397 HB VAL 59 HB VAL 59 7.437 0.009 -4.447 398 HG11 VAL 59 1HG1 VAL 59 6.733 -1.775 -5.897 399 HG12 VAL 59 2HG1 VAL 59 6.436 -2.229 -4.223 400 HG13 VAL 59 3HG1 VAL 59 7.819 -2.900 -5.084 401 HG21 VAL 59 1HG2 VAL 59 9.079 -0.243 -2.756 402 HG22 VAL 59 2HG2 VAL 59 9.231 -1.970 -3.118 403 HG23 VAL 59 3HG2 VAL 59 7.703 -1.321 -2.445 404 H GLU 60 H GLU 60 8.868 1.886 -5.485 405 HA GLU 60 HA GLU 60 11.143 2.443 -3.737 406 HB2 GLU 60 2HB GLU 60 11.526 3.154 -6.030 407 HB3 GLU 60 1HB GLU 60 10.017 4.070 -6.030 408 HG2 GLU 60 2HG GLU 60 10.982 5.631 -4.460 409 HG3 GLU 60 1HG GLU 60 12.437 4.631 -4.322 410 H ALA 61 H ALA 61 10.056 2.594 -1.861 411 HA ALA 61 HA ALA 61 7.575 4.121 -1.862 412 HB1 ALA 61 1HB ALA 61 7.546 3.732 0.589 413 HB2 ALA 61 2HB ALA 61 9.120 2.947 0.473 414 HB3 ALA 61 3HB ALA 61 7.713 2.213 -0.293 415 H LYS 62 H LYS 62 8.379 5.876 -2.671 416 HA LYS 62 HA LYS 62 10.587 7.310 -1.646 417 HB2 LYS 62 2HB LYS 62 9.766 9.186 -3.065 418 HB3 LYS 62 1HB LYS 62 10.058 7.667 -3.906 419 HG2 LYS 62 2HG LYS 62 7.698 7.180 -3.866 420 HG3 LYS 62 1HG LYS 62 7.376 8.693 -3.013 421 HD2 LYS 62 2HD LYS 62 8.625 8.534 -5.755 422 HD3 LYS 62 1HD LYS 62 6.899 8.691 -5.493 423 HE2 LYS 62 2HE LYS 62 7.689 10.868 -5.947 424 HE3 LYS 62 1HE LYS 62 7.396 10.809 -4.219 425 HZ1 LYS 62 1HZ LYS 62 9.427 11.969 -4.782 426 HZ2 LYS 62 2HZ LYS 62 10.056 10.610 -5.539 427 HZ3 LYS 62 3HZ LYS 62 9.832 10.614 -3.878 428 H ASP 63 H ASP 63 7.131 7.635 -1.068 429 HA ASP 63 HA ASP 63 7.653 9.252 1.264 430 HB2 ASP 63 2HB ASP 63 7.479 10.851 -0.718 431 HB3 ASP 63 1HB ASP 63 5.832 10.280 -0.937 432 H GLN 64 H GLN 64 5.270 9.758 2.140 433 HA GLN 64 HA GLN 64 4.018 7.235 2.581 434 HB2 GLN 64 2HB GLN 64 2.471 8.617 4.012 435 HB3 GLN 64 1HB GLN 64 4.176 8.668 4.433 436 HG2 GLN 64 2HG GLN 64 4.381 10.831 3.288 437 HG3 GLN 64 1HG GLN 64 2.666 10.764 2.895 438 HE21 GLN 64 1HE2 GLN 64 1.177 11.257 4.437 439 HE22 GLN 64 2HE2 GLN 64 1.593 11.863 5.994 440 H ASN 65 H ASN 65 3.859 8.245 -0.094 441 HA ASN 65 HA ASN 65 1.198 8.997 -0.835 442 HB2 ASN 65 2HB ASN 65 3.166 7.307 -2.420 443 HB3 ASN 65 1HB ASN 65 1.810 8.223 -3.065 444 HD21 ASN 65 1HD2 ASN 65 2.571 10.694 -1.500 445 HD22 ASN 65 2HD2 ASN 65 3.970 11.273 -2.308 446 H CYS 66 H CYS 66 3.055 6.117 -0.397 447 HA CYS 66 HA CYS 66 2.790 3.966 -0.517 448 HB2 CYS 66 2HB CYS 66 0.305 4.498 1.109 449 HB3 CYS 66 1HB CYS 66 1.121 2.953 0.926 450 H LYS 67 H LYS 67 1.630 5.278 -2.787 451 HA LYS 67 HA LYS 67 -0.099 3.223 -3.818 452 HB2 LYS 67 2HB LYS 67 1.249 5.610 -4.694 453 HB3 LYS 67 1HB LYS 67 1.006 4.424 -6.011 454 HG2 LYS 67 2HG LYS 67 -0.670 6.129 -5.962 455 HG3 LYS 67 1HG LYS 67 -1.396 4.626 -5.390 456 HD2 LYS 67 2HD LYS 67 -1.193 5.226 -3.169 457 HD3 LYS 67 1HD LYS 67 -0.198 6.620 -3.519 458 HE2 LYS 67 2HE LYS 67 -2.440 7.389 -3.060 459 HE3 LYS 67 1HE LYS 67 -1.820 7.613 -4.716 460 HZ1 LYS 67 1HZ LYS 67 -4.219 6.892 -4.682 461 HZ2 LYS 67 2HZ LYS 67 -3.789 5.485 -3.906 462 HZ3 LYS 67 3HZ LYS 67 -3.254 5.775 -5.473 463 H VAL 68 H VAL 68 0.629 1.908 -5.506 464 HA VAL 68 HA VAL 68 3.285 0.971 -4.853 465 HB VAL 68 HB VAL 68 1.663 -0.833 -5.102 466 HG11 VAL 68 1HG1 VAL 68 1.430 -0.052 -8.004 467 HG12 VAL 68 2HG1 VAL 68 0.170 0.081 -6.779 468 HG13 VAL 68 3HG1 VAL 68 0.754 -1.507 -7.267 469 HG21 VAL 68 1HG2 VAL 68 2.971 -2.287 -6.545 470 HG22 VAL 68 2HG2 VAL 68 4.013 -1.293 -5.526 471 HG23 VAL 68 3HG2 VAL 68 3.789 -0.888 -7.226 472 H ILE 69 H ILE 69 4.737 2.184 -5.522 473 HA ILE 69 HA ILE 69 4.748 3.006 -8.336 474 HB ILE 69 HB ILE 69 5.953 4.370 -5.894 475 HG12 ILE 69 2HG1 ILE 69 3.831 5.340 -7.795 476 HG13 ILE 69 1HG1 ILE 69 3.500 4.551 -6.261 477 HG21 ILE 69 1HG2 ILE 69 7.432 4.614 -7.835 478 HG22 ILE 69 2HG2 ILE 69 6.660 6.150 -7.443 479 HG23 ILE 69 3HG2 ILE 69 6.075 5.190 -8.804 480 HD11 ILE 69 1HD1 ILE 69 4.978 7.161 -6.646 481 HD12 ILE 69 2HD1 ILE 69 4.617 6.408 -5.092 482 HD13 ILE 69 3HD1 ILE 69 3.307 6.999 -6.113 483 H LEU 70 H LEU 70 6.127 1.851 -9.361 484 HA LEU 70 HA LEU 70 8.177 0.536 -7.891 485 HB2 LEU 70 2HB LEU 70 7.683 0.528 -10.848 486 HB3 LEU 70 1HB LEU 70 8.924 -0.395 -10.038 487 HG LEU 70 HG LEU 70 7.223 -1.911 -10.454 488 HD11 LEU 70 1HD1 LEU 70 6.309 -2.528 -8.303 489 HD12 LEU 70 2HD1 LEU 70 6.922 -1.010 -7.656 490 HD13 LEU 70 3HD1 LEU 70 8.054 -2.222 -8.281 491 HD21 LEU 70 1HD2 LEU 70 4.896 -1.565 -9.965 492 HD22 LEU 70 2HD2 LEU 70 5.507 -0.265 -11.004 493 HD23 LEU 70 3HD2 LEU 70 5.273 0.016 -9.280 494 H THR 71 H THR 71 10.206 0.702 -8.203 495 HA THR 71 HA THR 71 11.104 3.433 -8.180 496 HB THR 71 HB THR 71 12.234 1.648 -6.828 497 HG1 THR 71 1HG THR 71 13.403 3.664 -7.346 498 HG21 THR 71 1HG2 THR 71 13.870 0.225 -7.896 499 HG22 THR 71 2HG2 THR 71 13.321 0.817 -9.487 500 HG23 THR 71 3HG2 THR 71 12.217 -0.081 -8.437 501 H ASN 72 H ASN 72 10.712 1.236 -10.697 502 HA ASN 72 HA ASN 72 12.544 2.542 -12.516 503 HB2 ASN 72 2HB ASN 72 11.782 0.750 -14.121 504 HB3 ASN 72 1HB ASN 72 12.574 0.174 -12.649 505 HD21 ASN 72 1HD2 ASN 72 11.659 -1.855 -12.768 506 HD22 ASN 72 2HD2 ASN 72 9.991 -2.144 -12.481 507 H GLY 73 H GLY 73 9.332 3.028 -11.545 508 HA2 GLY 73 2HA GLY 73 8.278 4.995 -12.277 509 HA3 GLY 73 1HA GLY 73 9.035 4.780 -13.862 510 H LYS 74 H LYS 74 8.003 1.770 -13.012 511 HA LYS 74 HA LYS 74 5.684 2.019 -14.675 512 HB2 LYS 74 2HB LYS 74 6.937 -0.315 -13.268 513 HB3 LYS 74 1HB LYS 74 5.670 -0.408 -14.482 514 HG2 LYS 74 2HG LYS 74 7.146 0.392 -16.179 515 HG3 LYS 74 1HG LYS 74 8.399 0.756 -14.984 516 HD2 LYS 74 2HD LYS 74 8.566 -1.568 -14.398 517 HD3 LYS 74 1HD LYS 74 7.243 -1.938 -15.502 518 HE2 LYS 74 2HE LYS 74 8.656 -1.182 -17.389 519 HE3 LYS 74 1HE LYS 74 9.956 -0.826 -16.255 520 HZ1 LYS 74 1HZ LYS 74 9.992 -3.178 -15.648 521 HZ2 LYS 74 2HZ LYS 74 10.355 -2.924 -17.257 522 HZ3 LYS 74 3HZ LYS 74 8.817 -3.514 -16.832 523 H GLN 75 H GLN 75 3.863 0.722 -14.104 524 HA GLN 75 HA GLN 75 2.947 1.078 -11.323 525 HB2 GLN 75 2HB GLN 75 1.307 0.304 -13.753 526 HB3 GLN 75 1HB GLN 75 0.692 0.542 -12.134 527 HG2 GLN 75 2HG GLN 75 1.375 2.919 -12.326 528 HG3 GLN 75 1HG GLN 75 1.738 2.607 -14.032 529 HE21 GLN 75 1HE2 GLN 75 -0.724 2.992 -11.649 530 HE22 GLN 75 2HE2 GLN 75 -2.073 2.986 -12.713 531 H ALA 76 H ALA 76 2.049 -0.696 -10.317 532 HA ALA 76 HA ALA 76 2.776 -3.315 -11.440 533 HB1 ALA 76 1HB ALA 76 3.906 -2.991 -9.319 534 HB2 ALA 76 2HB ALA 76 2.545 -4.032 -8.973 535 HB3 ALA 76 3HB ALA 76 2.462 -2.310 -8.601 536 HA PRO 77 HA PRO 77 -1.646 -4.413 -11.607 537 HB2 PRO 77 2HB PRO 77 -1.282 -6.382 -9.430 538 HB3 PRO 77 1HB PRO 77 -1.933 -6.621 -11.070 539 HG2 PRO 77 2HG PRO 77 0.428 -7.550 -10.419 540 HG3 PRO 77 1HG PRO 77 0.119 -6.836 -12.027 541 HD2 PRO 77 2HD PRO 77 1.575 -5.700 -9.702 542 HD3 PRO 77 1HD PRO 77 1.905 -5.516 -11.442 543 H ASP 78 H ASP 78 -3.544 -3.888 -10.530 544 HA ASP 78 HA ASP 78 -3.186 -2.042 -8.433 545 HB2 ASP 78 2HB ASP 78 -5.751 -3.070 -9.646 546 HB3 ASP 78 1HB ASP 78 -5.633 -1.728 -8.518 547 H TRP 79 H TRP 79 -3.584 -5.383 -8.319 548 HA TRP 79 HA TRP 79 -4.877 -5.375 -5.757 549 HB2 TRP 79 2HB TRP 79 -4.411 -7.839 -5.765 550 HB3 TRP 79 1HB TRP 79 -5.327 -7.274 -7.159 551 HD1 TRP 79 HD TRP 79 -4.395 -7.795 -9.437 552 HE1 TRP 79 1HE TRP 79 -2.362 -9.111 -10.341 553 HE3 TRP 79 3HE TRP 79 -1.720 -8.349 -5.063 554 HZ2 TRP 79 2HZ TRP 79 0.027 -10.185 -9.362 555 HZ3 TRP 79 3HZ TRP 79 0.419 -9.507 -5.178 556 HH2 TRP 79 HH TRP 79 1.278 -10.414 -7.266 557 H LEU 80 H LEU 80 -1.752 -4.815 -6.887 558 HA LEU 80 HA LEU 80 -0.469 -5.770 -4.499 559 HB2 LEU 80 2HB LEU 80 0.482 -5.791 -6.865 560 HB3 LEU 80 1HB LEU 80 0.680 -4.043 -6.706 561 HG LEU 80 HG LEU 80 2.155 -4.478 -4.755 562 HD11 LEU 80 1HD1 LEU 80 1.324 -6.691 -4.167 563 HD12 LEU 80 2HD1 LEU 80 3.060 -6.779 -4.555 564 HD13 LEU 80 3HD1 LEU 80 1.858 -7.296 -5.737 565 HD21 LEU 80 1HD2 LEU 80 3.022 -5.845 -7.297 566 HD22 LEU 80 2HD2 LEU 80 4.094 -5.234 -6.042 567 HD23 LEU 80 3HD2 LEU 80 3.125 -4.115 -6.998 568 H ALA 81 H ALA 81 -1.192 -4.643 -2.897 569 HA ALA 81 HA ALA 81 -1.716 -1.750 -3.122 570 HB1 ALA 81 1HB ALA 81 -2.522 -3.688 -0.976 571 HB2 ALA 81 2HB ALA 81 -3.562 -3.139 -2.299 572 HB3 ALA 81 3HB ALA 81 -2.980 -1.994 -1.082 573 H ALA 82 H ALA 82 -1.272 -0.474 -1.335 574 HA ALA 82 HA ALA 82 0.783 -1.336 0.520 575 HB1 ALA 82 1HB ALA 82 2.175 0.630 0.126 576 HB2 ALA 82 2HB ALA 82 1.111 1.140 -1.167 577 HB3 ALA 82 3HB ALA 82 2.071 -0.331 -1.356 578 H GLU 83 H GLU 83 0.528 -0.400 2.483 579 HA GLU 83 HA GLU 83 -0.815 2.139 2.686 580 HB2 GLU 83 2HB GLU 83 -2.340 1.331 4.454 581 HB3 GLU 83 1HB GLU 83 -2.653 0.516 2.926 582 HG2 GLU 83 2HG GLU 83 -1.502 -1.432 3.792 583 HG3 GLU 83 1HG GLU 83 -1.162 -0.574 5.300 584 HA PRO 84 HA PRO 84 2.545 2.320 5.444 585 HB2 PRO 84 2HB PRO 84 2.098 4.526 6.867 586 HB3 PRO 84 1HB PRO 84 2.132 4.577 5.140 587 HG2 PRO 84 2HG PRO 84 -0.374 4.259 6.714 588 HG3 PRO 84 1HG PRO 84 0.055 5.569 5.582 589 HD2 PRO 84 2HD PRO 84 -1.312 3.484 4.652 590 HD3 PRO 84 1HD PRO 84 0.076 4.208 3.774 591 H TYR 85 H TYR 85 3.264 1.579 7.390 592 HA TYR 85 HA TYR 85 1.574 -0.340 8.438 593 HB2 TYR 85 2HB TYR 85 3.389 -1.461 8.952 594 HB3 TYR 85 1HB TYR 85 4.146 -0.226 8.046 595 HD1 TYR 85 1HD TYR 85 5.215 1.774 9.419 596 HD2 TYR 85 2HD TYR 85 4.146 -1.987 11.086 597 HE1 TYR 85 1HE TYR 85 6.857 2.100 11.220 598 HE2 TYR 85 2HE TYR 85 5.760 -1.663 12.900 599 HH TYR 85 HH TYR 85 7.777 -0.446 13.299 Start of MODEL 12 1 H SER 7 1HT SER 7 -11.713 -14.104 10.371 2 HA SER 7 HA SER 7 -12.323 -12.934 12.313 3 HB2 SER 7 2HB SER 7 -9.921 -12.424 13.052 4 HB3 SER 7 1HB SER 7 -10.226 -14.038 12.401 5 HG SER 7 HG SER 7 -8.338 -12.986 11.557 6 H GLY 8 H GLY 8 -10.060 -10.782 10.543 7 HA2 GLY 8 2HA GLY 8 -11.362 -8.498 11.799 8 HA3 GLY 8 1HA GLY 8 -9.863 -8.466 10.872 9 H ARG 9 H ARG 9 -13.084 -7.690 10.836 10 HA ARG 9 HA ARG 9 -12.893 -7.355 7.990 11 HB2 ARG 9 2HB ARG 9 -15.163 -8.581 9.429 12 HB3 ARG 9 1HB ARG 9 -15.469 -7.671 7.953 13 HG2 ARG 9 2HG ARG 9 -13.419 -9.854 8.101 14 HG3 ARG 9 1HG ARG 9 -15.109 -10.164 7.715 15 HD2 ARG 9 2HD ARG 9 -13.696 -9.933 5.678 16 HD3 ARG 9 1HD ARG 9 -14.953 -8.709 5.761 17 HE ARG 9 HE ARG 9 -12.186 -8.166 6.578 18 HH11 ARG 9 1HH1 ARG 9 -14.989 -7.381 4.524 19 HH12 ARG 9 2HH1 ARG 9 -14.352 -5.885 4.006 20 HH21 ARG 9 1HH2 ARG 9 -11.364 -6.055 5.862 21 HH22 ARG 9 2HH2 ARG 9 -12.275 -5.121 4.763 22 H GLU 10 H GLU 10 -12.422 -5.485 7.837 23 HA GLU 10 HA GLU 10 -13.716 -3.295 9.120 24 HB2 GLU 10 2HB GLU 10 -12.154 -3.092 6.542 25 HB3 GLU 10 1HB GLU 10 -12.324 -1.891 7.808 26 HG2 GLU 10 2HG GLU 10 -10.152 -2.573 8.139 27 HG3 GLU 10 1HG GLU 10 -11.041 -3.645 9.226 28 H ASN 11 H ASN 11 -15.848 -3.433 8.695 29 HA ASN 11 HA ASN 11 -16.738 -3.563 5.928 30 HB2 ASN 11 2HB ASN 11 -18.340 -3.612 8.509 31 HB3 ASN 11 1HB ASN 11 -19.027 -3.695 6.892 32 HD21 ASN 11 1HD2 ASN 11 -18.880 -5.645 5.736 33 HD22 ASN 11 2HD2 ASN 11 -18.363 -7.107 6.496 34 H LEU 12 H LEU 12 -18.459 -1.952 5.368 35 HA LEU 12 HA LEU 12 -17.277 0.539 6.021 36 HB2 LEU 12 2HB LEU 12 -19.399 -0.043 3.971 37 HB3 LEU 12 1HB LEU 12 -18.758 1.548 4.292 38 HG LEU 12 HG LEU 12 -16.479 0.637 3.743 39 HD11 LEU 12 1HD1 LEU 12 -16.829 -1.713 3.920 40 HD12 LEU 12 2HD1 LEU 12 -16.311 -1.306 2.285 41 HD13 LEU 12 3HD1 LEU 12 -18.005 -1.678 2.608 42 HD21 LEU 12 1HD2 LEU 12 -16.802 0.816 1.316 43 HD22 LEU 12 2HD2 LEU 12 -17.633 2.078 2.220 44 HD23 LEU 12 3HD2 LEU 12 -18.545 0.720 1.562 45 H TYR 13 H TYR 13 -17.639 1.236 7.753 46 HA TYR 13 HA TYR 13 -20.291 2.148 8.653 47 HB2 TYR 13 2HB TYR 13 -17.867 1.428 10.359 48 HB3 TYR 13 1HB TYR 13 -19.407 2.012 10.956 49 HD1 TYR 13 1HD TYR 13 -21.448 0.473 10.442 50 HD2 TYR 13 2HD TYR 13 -17.409 -0.831 10.388 51 HE1 TYR 13 1HE TYR 13 -22.195 -1.842 10.815 52 HE2 TYR 13 2HE TYR 13 -18.139 -3.147 10.750 53 HH TYR 13 HH TYR 13 -21.371 -4.081 10.416 54 H PHE 14 H PHE 14 -19.534 4.189 10.272 55 HA PHE 14 HA PHE 14 -18.056 5.985 8.756 56 HB2 PHE 14 2HB PHE 14 -19.411 6.630 10.788 57 HB3 PHE 14 1HB PHE 14 -18.146 5.940 11.797 58 HD1 PHE 14 1HD PHE 14 -18.629 8.425 9.085 59 HD2 PHE 14 2HD PHE 14 -16.429 7.325 12.556 60 HE1 PHE 14 1HE PHE 14 -17.436 10.572 9.001 61 HE2 PHE 14 2HE PHE 14 -15.228 9.472 12.472 62 HZ PHE 14 HZ PHE 14 -15.733 11.095 10.691 63 H GLN 15 H GLN 15 -15.978 6.352 8.524 64 HA GLN 15 HA GLN 15 -14.441 4.387 7.870 65 HB2 GLN 15 2HB GLN 15 -13.448 7.018 8.844 66 HB3 GLN 15 1HB GLN 15 -12.458 5.845 7.984 67 HG2 GLN 15 2HG GLN 15 -13.956 5.942 6.090 68 HG3 GLN 15 1HG GLN 15 -14.992 7.076 6.955 69 HE21 GLN 15 1HE2 GLN 15 -13.558 7.362 4.446 70 HE22 GLN 15 2HE2 GLN 15 -12.552 8.752 4.619 71 H GLY 16 H GLY 16 -13.659 2.731 8.591 72 HA2 GLY 16 2HA GLY 16 -12.672 2.332 11.240 73 HA3 GLY 16 1HA GLY 16 -12.433 1.248 9.851 74 H HIS 17 H HIS 17 -10.553 2.519 11.871 75 HA HIS 17 HA HIS 17 -9.141 4.521 10.397 76 HB2 HIS 17 2HB HIS 17 -8.304 3.099 12.930 77 HB3 HIS 17 1HB HIS 17 -7.535 4.521 12.246 78 HD1 HIS 17 1HD HIS 17 -8.434 6.774 13.095 79 HD2 HIS 17 2HD HIS 17 -11.026 3.587 13.784 80 HE1 HIS 17 1HE HIS 17 -10.305 7.665 14.507 81 H MET 18 H MET 18 -7.662 4.239 8.957 82 HA MET 18 HA MET 18 -6.523 1.632 8.558 83 HB2 MET 18 2HB MET 18 -6.016 4.250 7.142 84 HB3 MET 18 1HB MET 18 -5.130 2.779 6.782 85 HG2 MET 18 2HG MET 18 -7.208 1.677 6.167 86 HG3 MET 18 1HG MET 18 -8.073 3.155 6.576 87 HE1 MET 18 1HE MET 18 -4.567 2.891 4.731 88 HE2 MET 18 2HE MET 18 -5.085 2.791 3.048 89 HE3 MET 18 3HE MET 18 -5.460 1.483 4.166 90 H ALA 19 H ALA 19 -4.107 1.680 8.150 91 HA ALA 19 HA ALA 19 -2.952 2.292 10.680 92 HB1 ALA 19 1HB ALA 19 -2.324 0.257 9.496 93 HB2 ALA 19 2HB ALA 19 -0.908 1.280 9.759 94 HB3 ALA 19 3HB ALA 19 -1.668 1.216 8.173 95 H ALA 20 H ALA 20 -1.608 3.824 11.182 96 HA ALA 20 HA ALA 20 -1.873 6.283 9.747 97 HB1 ALA 20 1HB ALA 20 -0.763 7.285 11.670 98 HB2 ALA 20 2HB ALA 20 -0.353 5.682 12.277 99 HB3 ALA 20 3HB ALA 20 -2.039 6.180 12.184 100 HA PRO 21 HA PRO 21 1.942 6.675 7.400 101 HB2 PRO 21 2HB PRO 21 2.007 9.279 8.897 102 HB3 PRO 21 1HB PRO 21 2.267 9.005 7.162 103 HG2 PRO 21 2HG PRO 21 -0.012 9.978 7.939 104 HG3 PRO 21 1HG PRO 21 0.018 8.678 6.724 105 HD2 PRO 21 2HD PRO 21 -0.739 8.542 9.594 106 HD3 PRO 21 1HD PRO 21 -1.391 7.658 8.199 107 H ALA 22 H ALA 22 3.736 5.639 8.096 108 HA ALA 22 HA ALA 22 4.806 6.301 10.765 109 HB1 ALA 22 1HB ALA 22 4.262 3.571 9.663 110 HB2 ALA 22 2HB ALA 22 3.283 4.384 10.866 111 HB3 ALA 22 3HB ALA 22 4.955 3.917 11.248 112 H ARG 23 H ARG 23 5.766 6.953 8.164 113 HA ARG 23 HA ARG 23 7.582 6.864 6.797 114 HB2 ARG 23 2HB ARG 23 8.849 6.153 9.429 115 HB3 ARG 23 1HB ARG 23 9.795 6.448 7.973 116 HG2 ARG 23 2HG ARG 23 8.830 8.688 7.802 117 HG3 ARG 23 1HG ARG 23 7.882 8.370 9.252 118 HD2 ARG 23 2HD ARG 23 10.886 8.361 9.138 119 HD3 ARG 23 1HD ARG 23 9.903 9.729 9.652 120 HE ARG 23 HE ARG 23 10.038 7.135 11.042 121 HH11 ARG 23 1HH1 ARG 23 9.286 10.577 11.120 122 HH12 ARG 23 2HH1 ARG 23 9.372 10.702 12.814 123 HH21 ARG 23 1HH2 ARG 23 10.158 7.311 13.361 124 HH22 ARG 23 2HH2 ARG 23 9.926 8.811 14.107 125 H SER 24 H SER 24 6.022 4.370 6.899 126 HA SER 24 HA SER 24 7.914 2.776 5.431 127 HB2 SER 24 2HB SER 24 6.449 1.733 7.863 128 HB3 SER 24 1HB SER 24 7.292 0.726 6.674 129 HG SER 24 HG SER 24 8.786 2.799 7.691 130 H CYS 25 H CYS 25 6.901 1.653 3.746 131 HA CYS 25 HA CYS 25 3.990 1.751 3.658 132 HB2 CYS 25 2HB CYS 25 6.058 1.733 1.447 133 HB3 CYS 25 1HB CYS 25 4.355 1.346 1.171 134 H VAL 26 H VAL 26 2.993 -0.096 3.495 135 HA VAL 26 HA VAL 26 4.597 -2.528 3.820 136 HB VAL 26 HB VAL 26 1.884 -1.804 4.999 137 HG11 VAL 26 1HG1 VAL 26 2.452 -4.205 5.040 138 HG12 VAL 26 2HG1 VAL 26 2.392 -3.432 6.641 139 HG13 VAL 26 3HG1 VAL 26 3.947 -3.766 5.896 140 HG21 VAL 26 1HG2 VAL 26 4.496 -1.483 6.332 141 HG22 VAL 26 2HG2 VAL 26 2.831 -0.986 6.836 142 HG23 VAL 26 3HG2 VAL 26 3.611 -0.226 5.474 143 H TYR 27 H TYR 27 4.156 -4.019 2.351 144 HA TYR 27 HA TYR 27 2.135 -3.358 0.382 145 HB2 TYR 27 2HB TYR 27 4.583 -5.118 0.209 146 HB3 TYR 27 1HB TYR 27 3.419 -4.910 -1.110 147 HD1 TYR 27 1HD TYR 27 5.791 -3.073 1.073 148 HD2 TYR 27 2HD TYR 27 3.467 -3.006 -2.474 149 HE1 TYR 27 1HE TYR 27 6.829 -0.957 0.455 150 HE2 TYR 27 2HE TYR 27 4.536 -0.855 -3.118 151 HH TYR 27 HH TYR 27 7.256 0.358 -1.589 152 H TYR 28 H TYR 28 0.529 -4.568 -0.183 153 HA TYR 28 HA TYR 28 0.129 -7.102 1.200 154 HB2 TYR 28 2HB TYR 28 -1.840 -4.846 0.827 155 HB3 TYR 28 1HB TYR 28 -2.268 -6.500 1.238 156 HD1 TYR 28 1HD TYR 28 -2.278 -7.207 3.463 157 HD2 TYR 28 2HD TYR 28 -0.317 -3.562 2.486 158 HE1 TYR 28 1HE TYR 28 -1.993 -6.727 5.850 159 HE2 TYR 28 2HE TYR 28 -0.028 -3.084 4.875 160 HH TYR 28 HH TYR 28 -1.100 -3.687 6.987 161 H ASP 29 H ASP 29 -0.753 -8.627 0.043 162 HA ASP 29 HA ASP 29 -1.178 -8.256 -2.840 163 HB2 ASP 29 2HB ASP 29 0.218 -10.056 -2.077 164 HB3 ASP 29 1HB ASP 29 -1.028 -10.621 -0.988 165 H GLY 30 H GLY 30 -3.184 -7.365 -3.026 166 HA2 GLY 30 2HA GLY 30 -5.367 -9.085 -2.710 167 HA3 GLY 30 1HA GLY 30 -5.495 -7.886 -1.457 168 H HIS 31 H HIS 31 -6.940 -8.583 -3.895 169 HA HIS 31 HA HIS 31 -6.835 -6.159 -5.484 170 HB2 HIS 31 2HB HIS 31 -8.709 -8.529 -5.516 171 HB3 HIS 31 1HB HIS 31 -8.984 -7.097 -6.508 172 HD1 HIS 31 1HD HIS 31 -7.218 -6.689 -8.456 173 HD2 HIS 31 2HD HIS 31 -6.911 -10.340 -6.481 174 HE1 HIS 31 1HE HIS 31 -5.842 -8.190 -9.954 175 H LEU 32 H LEU 32 -8.442 -7.425 -2.738 176 HA LEU 32 HA LEU 32 -10.083 -5.015 -2.526 177 HB2 LEU 32 2HB LEU 32 -10.708 -7.850 -1.671 178 HB3 LEU 32 1HB LEU 32 -11.515 -6.474 -0.973 179 HG LEU 32 HG LEU 32 -12.382 -5.930 -3.222 180 HD11 LEU 32 1HD1 LEU 32 -11.335 -8.666 -3.951 181 HD12 LEU 32 2HD1 LEU 32 -10.796 -7.130 -4.629 182 HD13 LEU 32 3HD1 LEU 32 -12.436 -7.701 -4.936 183 HD21 LEU 32 1HD2 LEU 32 -13.760 -7.024 -1.591 184 HD22 LEU 32 2HD2 LEU 32 -13.131 -8.604 -2.065 185 HD23 LEU 32 3HD2 LEU 32 -14.117 -7.673 -3.191 186 HA PRO 33 HA PRO 33 -7.801 -4.551 1.297 187 HB2 PRO 33 2HB PRO 33 -9.667 -3.178 2.771 188 HB3 PRO 33 1HB PRO 33 -8.686 -2.405 1.508 189 HG2 PRO 33 2HG PRO 33 -11.489 -3.373 1.361 190 HG3 PRO 33 1HG PRO 33 -10.764 -1.901 0.684 191 HD2 PRO 33 2HD PRO 33 -11.275 -4.059 -0.832 192 HD3 PRO 33 1HD PRO 33 -9.880 -2.992 -1.130 193 H ALA 34 H ALA 34 -10.605 -6.255 0.852 194 HA ALA 34 HA ALA 34 -10.938 -7.297 3.541 195 HB1 ALA 34 1HB ALA 34 -12.747 -8.587 2.552 196 HB2 ALA 34 2HB ALA 34 -12.253 -8.060 0.944 197 HB3 ALA 34 3HB ALA 34 -12.877 -6.887 2.102 198 H THR 35 H THR 35 -9.006 -7.996 0.801 199 HA THR 35 HA THR 35 -8.445 -10.657 1.850 200 HB THR 35 HB THR 35 -7.960 -11.146 -0.662 201 HG1 THR 35 1HG THR 35 -8.890 -9.905 -2.055 202 HG21 THR 35 1HG2 THR 35 -10.774 -10.989 0.424 203 HG22 THR 35 2HG2 THR 35 -9.636 -12.304 0.700 204 HG23 THR 35 3HG2 THR 35 -10.244 -11.997 -0.924 205 H ARG 36 H ARG 36 -7.212 -7.904 1.915 206 HA ARG 36 HA ARG 36 -4.730 -7.983 0.575 207 HB2 ARG 36 2HB ARG 36 -4.043 -6.199 2.219 208 HB3 ARG 36 1HB ARG 36 -5.527 -5.864 1.342 209 HG2 ARG 36 2HG ARG 36 -6.828 -6.512 3.303 210 HG3 ARG 36 1HG ARG 36 -5.341 -6.882 4.170 211 HD2 ARG 36 2HD ARG 36 -4.664 -4.560 4.087 212 HD3 ARG 36 1HD ARG 36 -6.050 -4.157 3.070 213 HE ARG 36 HE ARG 36 -7.447 -4.874 4.985 214 HH11 ARG 36 1HH1 ARG 36 -4.321 -3.262 5.473 215 HH12 ARG 36 2HH1 ARG 36 -4.539 -3.013 7.115 216 HH21 ARG 36 1HH2 ARG 36 -7.829 -4.347 7.175 217 HH22 ARG 36 2HH2 ARG 36 -6.632 -3.633 8.167 218 H VAL 37 H VAL 37 -2.969 -9.146 0.915 219 HA VAL 37 HA VAL 37 -2.644 -10.592 3.471 220 HB VAL 37 HB VAL 37 -1.430 -11.189 0.765 221 HG11 VAL 37 1HG1 VAL 37 -1.418 -12.830 3.276 222 HG12 VAL 37 2HG1 VAL 37 -0.045 -12.026 2.521 223 HG13 VAL 37 3HG1 VAL 37 -0.838 -13.371 1.702 224 HG21 VAL 37 1HG2 VAL 37 -2.966 -13.084 0.609 225 HG22 VAL 37 2HG2 VAL 37 -3.813 -11.538 0.642 226 HG23 VAL 37 3HG2 VAL 37 -3.766 -12.551 2.092 227 H LEU 38 H LEU 38 -0.979 -9.934 4.689 228 HA LEU 38 HA LEU 38 0.767 -7.854 4.041 229 HB2 LEU 38 2HB LEU 38 0.136 -8.427 6.318 230 HB3 LEU 38 1HB LEU 38 0.931 -9.970 6.193 231 HG LEU 38 HG LEU 38 2.047 -8.203 7.626 232 HD11 LEU 38 1HD1 LEU 38 4.324 -8.697 6.938 233 HD12 LEU 38 2HD1 LEU 38 3.728 -9.340 5.406 234 HD13 LEU 38 3HD1 LEU 38 3.315 -10.141 6.920 235 HD21 LEU 38 1HD2 LEU 38 1.671 -6.293 6.192 236 HD22 LEU 38 2HD2 LEU 38 2.718 -6.995 4.958 237 HD23 LEU 38 3HD2 LEU 38 3.390 -6.515 6.515 238 H LEU 39 H LEU 39 2.257 -7.889 2.517 239 HA LEU 39 HA LEU 39 3.705 -10.339 1.903 240 HB2 LEU 39 2HB LEU 39 3.791 -7.587 0.670 241 HB3 LEU 39 1HB LEU 39 4.713 -8.962 0.100 242 HG LEU 39 HG LEU 39 1.697 -8.816 0.125 243 HD11 LEU 39 1HD1 LEU 39 2.679 -7.232 -1.462 244 HD12 LEU 39 2HD1 LEU 39 1.918 -8.582 -2.299 245 HD13 LEU 39 3HD1 LEU 39 3.675 -8.522 -2.138 246 HD21 LEU 39 1HD2 LEU 39 2.592 -11.073 0.327 247 HD22 LEU 39 2HD2 LEU 39 3.639 -10.774 -1.061 248 HD23 LEU 39 3HD2 LEU 39 1.888 -10.816 -1.274 249 H MET 40 H MET 40 4.553 -6.944 2.570 250 HA MET 40 HA MET 40 6.636 -7.486 4.394 251 HB2 MET 40 2HB MET 40 8.526 -6.845 2.971 252 HB3 MET 40 1HB MET 40 7.880 -8.457 2.582 253 HG2 MET 40 2HG MET 40 6.671 -7.316 0.709 254 HG3 MET 40 1HG MET 40 7.557 -5.862 1.196 255 HE1 MET 40 1HE MET 40 10.201 -5.593 0.980 256 HE2 MET 40 2HE MET 40 11.281 -6.882 0.451 257 HE3 MET 40 3HE MET 40 10.423 -7.030 1.982 258 H TYR 41 H TYR 41 8.004 -5.742 4.784 259 HA TYR 41 HA TYR 41 6.549 -3.182 4.708 260 HB2 TYR 41 2HB TYR 41 8.638 -4.267 6.615 261 HB3 TYR 41 1HB TYR 41 7.881 -2.691 6.730 262 HD1 TYR 41 1HD TYR 41 7.292 -6.348 7.094 263 HD2 TYR 41 2HD TYR 41 5.749 -2.439 7.727 264 HE1 TYR 41 1HE TYR 41 5.539 -7.280 8.550 265 HE2 TYR 41 2HE TYR 41 4.000 -3.362 9.167 266 HH TYR 41 HH TYR 41 4.082 -6.471 10.397 267 H VAL 42 H VAL 42 7.537 -1.454 3.741 268 HA VAL 42 HA VAL 42 10.434 -1.537 3.231 269 HB VAL 42 HB VAL 42 8.335 -0.249 1.481 270 HG11 VAL 42 1HG1 VAL 42 10.164 0.080 -0.120 271 HG12 VAL 42 2HG1 VAL 42 11.301 -0.606 1.039 272 HG13 VAL 42 3HG1 VAL 42 10.480 0.911 1.403 273 HG21 VAL 42 1HG2 VAL 42 9.931 -2.755 1.033 274 HG22 VAL 42 2HG2 VAL 42 8.846 -1.978 -0.145 275 HG23 VAL 42 3HG2 VAL 42 8.197 -2.644 1.359 276 H ARG 43 H ARG 43 11.470 0.386 3.813 277 HA ARG 43 HA ARG 43 9.851 2.170 5.406 278 HB2 ARG 43 2HB ARG 43 12.081 1.474 6.216 279 HB3 ARG 43 1HB ARG 43 12.808 2.275 4.824 280 HG2 ARG 43 2HG ARG 43 11.855 4.408 5.585 281 HG3 ARG 43 1HG ARG 43 11.233 3.595 7.017 282 HD2 ARG 43 2HD ARG 43 13.524 3.038 7.689 283 HD3 ARG 43 1HD ARG 43 14.019 3.742 6.126 284 HE ARG 43 HE ARG 43 13.435 5.861 6.856 285 HH11 ARG 43 1HH1 ARG 43 13.266 3.563 9.544 286 HH12 ARG 43 2HH1 ARG 43 13.545 4.734 10.742 287 HH21 ARG 43 1HH2 ARG 43 13.749 7.479 8.494 288 HH22 ARG 43 2HH2 ARG 43 13.830 6.997 10.120 289 H ILE 44 H ILE 44 9.649 4.286 5.027 290 HA ILE 44 HA ILE 44 9.321 5.122 2.263 291 HB ILE 44 HB ILE 44 9.463 7.068 4.567 292 HG12 ILE 44 2HG1 ILE 44 7.751 5.347 4.857 293 HG13 ILE 44 1HG1 ILE 44 7.109 6.995 4.858 294 HG21 ILE 44 1HG2 ILE 44 8.122 8.540 3.090 295 HG22 ILE 44 2HG2 ILE 44 8.226 7.321 1.827 296 HG23 ILE 44 3HG2 ILE 44 9.690 8.125 2.389 297 HD11 ILE 44 1HD1 ILE 44 6.877 4.877 2.720 298 HD12 ILE 44 2HD1 ILE 44 6.251 6.539 2.585 299 HD13 ILE 44 3HD1 ILE 44 5.629 5.457 3.811 300 H GLY 45 H GLY 45 10.701 5.927 0.982 301 HA2 GLY 45 2HA GLY 45 12.413 7.432 0.270 302 HA3 GLY 45 1HA GLY 45 13.003 7.497 1.931 303 H ASN 46 H ASN 46 12.203 4.419 1.014 304 HA ASN 46 HA ASN 46 14.941 3.738 0.234 305 HB2 ASN 46 2HB ASN 46 14.545 3.350 2.606 306 HB3 ASN 46 1HB ASN 46 13.163 2.357 2.134 307 HD21 ASN 46 1HD2 ASN 46 14.326 0.679 3.471 308 HD22 ASN 46 2HD2 ASN 46 15.597 -0.198 2.729 309 H THR 47 H THR 47 15.027 1.720 -0.731 310 HA THR 47 HA THR 47 12.692 1.211 -2.442 311 HB THR 47 HB THR 47 14.394 0.221 -3.978 312 HG1 THR 47 1HG THR 47 16.481 0.557 -3.603 313 HG21 THR 47 1HG2 THR 47 14.495 3.208 -3.491 314 HG22 THR 47 2HG2 THR 47 13.328 2.350 -4.498 315 HG23 THR 47 3HG2 THR 47 15.026 2.417 -4.974 316 H ALA 48 H ALA 48 12.347 -0.873 -3.087 317 HA ALA 48 HA ALA 48 13.828 -3.076 -1.934 318 HB1 ALA 48 1HB ALA 48 12.066 -4.088 -0.628 319 HB2 ALA 48 2HB ALA 48 10.982 -2.755 -1.016 320 HB3 ALA 48 3HB ALA 48 12.415 -2.467 -0.030 321 H THR 49 H THR 49 13.820 -4.752 -3.205 322 HA THR 49 HA THR 49 12.124 -5.090 -5.448 323 HB THR 49 HB THR 49 13.776 -7.252 -4.134 324 HG1 THR 49 1HG THR 49 14.666 -4.889 -5.444 325 HG21 THR 49 1HG2 THR 49 12.497 -7.839 -6.121 326 HG22 THR 49 2HG2 THR 49 14.226 -7.866 -6.479 327 HG23 THR 49 3HG2 THR 49 13.234 -6.509 -7.012 328 H ILE 50 H ILE 50 10.026 -5.699 -5.155 329 HA ILE 50 HA ILE 50 9.191 -7.379 -2.875 330 HB ILE 50 HB ILE 50 7.553 -6.206 -5.136 331 HG12 ILE 50 2HG1 ILE 50 8.607 -4.388 -3.883 332 HG13 ILE 50 1HG1 ILE 50 6.851 -4.414 -3.657 333 HG21 ILE 50 1HG2 ILE 50 6.445 -8.044 -4.036 334 HG22 ILE 50 2HG2 ILE 50 5.620 -6.533 -3.652 335 HG23 ILE 50 3HG2 ILE 50 6.678 -7.284 -2.459 336 HD11 ILE 50 1HD1 ILE 50 8.002 -3.942 -1.598 337 HD12 ILE 50 2HD1 ILE 50 8.910 -5.470 -1.780 338 HD13 ILE 50 3HD1 ILE 50 7.160 -5.505 -1.543 339 H THR 51 H THR 51 9.541 -9.554 -3.336 340 HA THR 51 HA THR 51 8.830 -10.346 -6.065 341 HB THR 51 HB THR 51 9.730 -12.097 -3.767 342 HG1 THR 51 1HG THR 51 11.032 -10.199 -4.953 343 HG21 THR 51 1HG2 THR 51 10.453 -13.622 -5.573 344 HG22 THR 51 2HG2 THR 51 9.852 -12.478 -6.774 345 HG23 THR 51 3HG2 THR 51 8.726 -13.284 -5.683 346 H ALA 52 H ALA 52 6.783 -10.853 -6.430 347 HA ALA 52 HA ALA 52 5.274 -12.153 -4.376 348 HB1 ALA 52 1HB ALA 52 4.335 -9.567 -5.623 349 HB2 ALA 52 2HB ALA 52 4.794 -9.813 -3.941 350 HB3 ALA 52 3HB ALA 52 3.359 -10.608 -4.588 351 H ARG 53 H ARG 53 4.315 -13.761 -5.234 352 HA ARG 53 HA ARG 53 3.411 -15.256 -6.597 353 HB2 ARG 53 2HB ARG 53 2.522 -12.866 -8.219 354 HB3 ARG 53 1HB ARG 53 1.901 -14.514 -8.395 355 HG2 ARG 53 2HG ARG 53 1.072 -14.412 -6.080 356 HG3 ARG 53 1HG ARG 53 1.645 -12.733 -5.983 357 HD2 ARG 53 2HD ARG 53 0.201 -12.185 -7.905 358 HD3 ARG 53 1HD ARG 53 -0.409 -13.835 -7.885 359 HE ARG 53 HE ARG 53 -0.693 -12.360 -5.408 360 HH11 ARG 53 1HH1 ARG 53 -2.161 -13.138 -8.511 361 HH12 ARG 53 2HH1 ARG 53 -3.766 -12.980 -7.962 362 HH21 ARG 53 1HH2 ARG 53 -2.830 -12.048 -4.652 363 HH22 ARG 53 2HH2 ARG 53 -4.169 -12.318 -5.668 364 H GLY 54 H GLY 54 6.067 -14.350 -6.962 365 HA2 GLY 54 2HA GLY 54 7.785 -15.266 -8.269 366 HA3 GLY 54 1HA GLY 54 6.563 -15.728 -9.462 367 H HIS 55 H HIS 55 6.294 -12.489 -8.522 368 HA HIS 55 HA HIS 55 7.980 -11.626 -10.783 369 HB2 HIS 55 2HB HIS 55 5.344 -10.442 -9.869 370 HB3 HIS 55 1HB HIS 55 6.402 -9.724 -11.087 371 HD1 HIS 55 1HD HIS 55 6.068 -10.565 -13.502 372 HD2 HIS 55 2HD HIS 55 4.085 -12.861 -10.652 373 HE1 HIS 55 1HE HIS 55 4.615 -12.161 -14.778 374 H GLU 56 H GLU 56 9.477 -10.081 -10.285 375 HA GLU 56 HA GLU 56 9.426 -9.087 -7.559 376 HB2 GLU 56 2HB GLU 56 11.629 -8.980 -9.622 377 HB3 GLU 56 1HB GLU 56 11.736 -8.348 -7.997 378 HG2 GLU 56 2HG GLU 56 12.866 -10.366 -7.874 379 HG3 GLU 56 1HG GLU 56 11.254 -10.739 -7.255 380 H PHE 57 H PHE 57 8.881 -6.997 -7.174 381 HA PHE 57 HA PHE 57 8.805 -5.167 -9.476 382 HB2 PHE 57 2HB PHE 57 7.222 -5.049 -6.892 383 HB3 PHE 57 1HB PHE 57 7.007 -4.085 -8.356 384 HD1 PHE 57 1HD PHE 57 6.085 -7.042 -6.577 385 HD2 PHE 57 2HD PHE 57 6.136 -5.247 -10.435 386 HE1 PHE 57 1HE PHE 57 4.379 -8.635 -7.340 387 HE2 PHE 57 2HE PHE 57 4.425 -6.844 -11.195 388 HZ PHE 57 HZ PHE 57 3.541 -8.539 -9.617 389 H GLU 58 H GLU 58 10.589 -3.852 -9.259 390 HA GLU 58 HA GLU 58 11.724 -3.389 -6.642 391 HB2 GLU 58 2HB GLU 58 12.891 -3.377 -8.936 392 HB3 GLU 58 1HB GLU 58 12.274 -1.726 -9.099 393 HG2 GLU 58 2HG GLU 58 14.419 -1.386 -8.226 394 HG3 GLU 58 1HG GLU 58 13.407 -1.436 -6.771 395 H VAL 59 H VAL 59 10.593 -2.155 -5.317 396 HA VAL 59 HA VAL 59 9.030 0.089 -6.441 397 HB VAL 59 HB VAL 59 7.646 0.090 -4.529 398 HG11 VAL 59 1HG1 VAL 59 8.049 -2.774 -5.311 399 HG12 VAL 59 2HG1 VAL 59 6.890 -1.625 -5.994 400 HG13 VAL 59 3HG1 VAL 59 6.712 -2.179 -4.340 401 HG21 VAL 59 1HG2 VAL 59 7.959 -1.327 -2.598 402 HG22 VAL 59 2HG2 VAL 59 9.279 -0.166 -2.879 403 HG23 VAL 59 3HG2 VAL 59 9.509 -1.880 -3.292 404 H GLU 60 H GLU 60 8.951 1.979 -5.247 405 HA GLU 60 HA GLU 60 11.190 2.395 -3.406 406 HB2 GLU 60 2HB GLU 60 11.588 3.472 -5.643 407 HB3 GLU 60 1HB GLU 60 10.089 4.384 -5.403 408 HG2 GLU 60 2HG GLU 60 11.106 5.437 -3.454 409 HG3 GLU 60 1HG GLU 60 12.589 4.515 -3.737 410 H ALA 61 H ALA 61 10.309 2.861 -1.510 411 HA ALA 61 HA ALA 61 7.514 3.588 -1.377 412 HB1 ALA 61 1HB ALA 61 9.580 3.524 0.834 413 HB2 ALA 61 2HB ALA 61 8.477 2.216 0.411 414 HB3 ALA 61 3HB ALA 61 7.843 3.723 1.068 415 H LYS 62 H LYS 62 7.187 5.379 -2.327 416 HA LYS 62 HA LYS 62 8.842 7.675 -2.410 417 HB2 LYS 62 2HB LYS 62 5.949 7.281 -3.147 418 HB3 LYS 62 1HB LYS 62 6.883 8.725 -3.495 419 HG2 LYS 62 2HG LYS 62 7.524 5.973 -4.463 420 HG3 LYS 62 1HG LYS 62 6.556 7.182 -5.333 421 HD2 LYS 62 2HD LYS 62 8.504 8.724 -5.204 422 HD3 LYS 62 1HD LYS 62 9.442 7.414 -4.481 423 HE2 LYS 62 2HE LYS 62 9.122 6.043 -6.422 424 HE3 LYS 62 1HE LYS 62 8.048 7.267 -7.104 425 HZ1 LYS 62 1HZ LYS 62 10.939 7.640 -6.524 426 HZ2 LYS 62 2HZ LYS 62 9.917 8.783 -7.243 427 HZ3 LYS 62 3HZ LYS 62 10.294 7.350 -8.065 428 H ASP 63 H ASP 63 5.630 7.215 -0.964 429 HA ASP 63 HA ASP 63 6.206 9.372 0.916 430 HB2 ASP 63 2HB ASP 63 5.300 10.410 -1.146 431 HB3 ASP 63 1HB ASP 63 3.892 9.371 -1.034 432 H GLN 64 H GLN 64 4.489 9.512 2.538 433 HA GLN 64 HA GLN 64 3.830 6.941 3.563 434 HB2 GLN 64 2HB GLN 64 2.931 9.641 4.567 435 HB3 GLN 64 1HB GLN 64 2.815 8.124 5.432 436 HG2 GLN 64 2HG GLN 64 4.591 9.407 6.356 437 HG3 GLN 64 1HG GLN 64 5.308 8.055 5.481 438 HE21 GLN 64 1HE2 GLN 64 4.772 11.506 5.495 439 HE22 GLN 64 2HE2 GLN 64 5.957 11.898 4.324 440 H ASN 65 H ASN 65 2.339 8.745 1.297 441 HA ASN 65 HA ASN 65 -0.432 8.232 1.767 442 HB2 ASN 65 2HB ASN 65 0.651 9.876 0.143 443 HB3 ASN 65 1HB ASN 65 1.017 8.486 -0.883 444 HD21 ASN 65 1HD2 ASN 65 -0.513 10.799 -1.504 445 HD22 ASN 65 2HD2 ASN 65 -2.108 10.269 -1.893 446 H CYS 66 H CYS 66 2.328 6.531 0.561 447 HA CYS 66 HA CYS 66 2.797 4.574 -0.105 448 HB2 CYS 66 2HB CYS 66 0.720 3.829 1.899 449 HB3 CYS 66 1HB CYS 66 1.756 2.637 1.090 450 H LYS 67 H LYS 67 1.795 5.510 -2.126 451 HA LYS 67 HA LYS 67 -0.001 3.500 -3.206 452 HB2 LYS 67 2HB LYS 67 0.967 6.056 -4.071 453 HB3 LYS 67 1HB LYS 67 0.888 4.899 -5.421 454 HG2 LYS 67 2HG LYS 67 -1.095 6.243 -5.347 455 HG3 LYS 67 1HG LYS 67 -1.525 4.630 -4.791 456 HD2 LYS 67 2HD LYS 67 -0.557 6.058 -2.658 457 HD3 LYS 67 1HD LYS 67 -1.873 7.076 -3.345 458 HE2 LYS 67 2HE LYS 67 -3.227 4.889 -3.221 459 HE3 LYS 67 1HE LYS 67 -1.801 4.272 -2.360 460 HZ1 LYS 67 1HZ LYS 67 -2.180 5.785 -0.568 461 HZ2 LYS 67 2HZ LYS 67 -3.694 5.095 -0.871 462 HZ3 LYS 67 3HZ LYS 67 -3.337 6.628 -1.431 463 H VAL 68 H VAL 68 0.638 2.181 -4.761 464 HA VAL 68 HA VAL 68 3.364 1.287 -4.361 465 HB VAL 68 HB VAL 68 1.815 -0.555 -4.433 466 HG11 VAL 68 1HG1 VAL 68 0.541 -1.185 -6.418 467 HG12 VAL 68 2HG1 VAL 68 1.097 0.271 -7.243 468 HG13 VAL 68 3HG1 VAL 68 0.056 0.404 -5.823 469 HG21 VAL 68 1HG2 VAL 68 2.848 -1.975 -6.149 470 HG22 VAL 68 2HG2 VAL 68 4.058 -1.005 -5.309 471 HG23 VAL 68 3HG2 VAL 68 3.525 -0.551 -6.920 472 H ILE 69 H ILE 69 4.837 2.428 -5.240 473 HA ILE 69 HA ILE 69 4.508 3.036 -8.073 474 HB ILE 69 HB ILE 69 5.802 4.835 -5.987 475 HG12 ILE 69 2HG1 ILE 69 3.342 5.247 -7.692 476 HG13 ILE 69 1HG1 ILE 69 3.313 4.708 -6.023 477 HG21 ILE 69 1HG2 ILE 69 6.972 4.934 -8.151 478 HG22 ILE 69 2HG2 ILE 69 6.084 6.427 -7.848 479 HG23 ILE 69 3HG2 ILE 69 5.439 5.228 -8.971 480 HD11 ILE 69 1HD1 ILE 69 4.314 6.835 -5.339 481 HD12 ILE 69 2HD1 ILE 69 2.811 7.086 -6.230 482 HD13 ILE 69 3HD1 ILE 69 4.364 7.343 -7.027 483 H LEU 70 H LEU 70 5.895 2.112 -9.208 484 HA LEU 70 HA LEU 70 8.039 0.742 -7.936 485 HB2 LEU 70 2HB LEU 70 7.257 0.828 -10.832 486 HB3 LEU 70 1HB LEU 70 8.544 -0.153 -10.165 487 HG LEU 70 HG LEU 70 6.782 -1.597 -10.458 488 HD11 LEU 70 1HD1 LEU 70 6.713 -0.764 -7.642 489 HD12 LEU 70 2HD1 LEU 70 7.827 -1.934 -8.368 490 HD13 LEU 70 3HD1 LEU 70 6.091 -2.294 -8.250 491 HD21 LEU 70 1HD2 LEU 70 5.031 0.049 -10.815 492 HD22 LEU 70 2HD2 LEU 70 4.986 0.354 -9.072 493 HD23 LEU 70 3HD2 LEU 70 4.508 -1.228 -9.712 494 H THR 71 H THR 71 10.007 0.934 -8.404 495 HA THR 71 HA THR 71 10.738 3.748 -8.713 496 HB THR 71 HB THR 71 11.811 2.229 -6.976 497 HG1 THR 71 1HG THR 71 12.856 4.210 -7.177 498 HG21 THR 71 1HG2 THR 71 13.828 1.039 -7.642 499 HG22 THR 71 2HG2 THR 71 13.466 1.396 -9.338 500 HG23 THR 71 3HG2 THR 71 12.373 0.381 -8.391 501 H ASN 72 H ASN 72 10.409 1.236 -10.815 502 HA ASN 72 HA ASN 72 12.447 2.183 -12.682 503 HB2 ASN 72 2HB ASN 72 11.711 0.165 -14.037 504 HB3 ASN 72 1HB ASN 72 12.506 -0.172 -12.492 505 HD21 ASN 72 1HD2 ASN 72 11.562 -2.230 -12.470 506 HD22 ASN 72 2HD2 ASN 72 9.898 -2.469 -12.101 507 H GLY 73 H GLY 73 9.079 2.351 -12.145 508 HA2 GLY 73 2HA GLY 73 7.901 4.242 -13.066 509 HA3 GLY 73 1HA GLY 73 8.894 4.085 -14.523 510 H LYS 74 H LYS 74 7.959 1.125 -13.358 511 HA LYS 74 HA LYS 74 5.990 0.716 -15.500 512 HB2 LYS 74 2HB LYS 74 7.307 -1.186 -13.565 513 HB3 LYS 74 1HB LYS 74 6.400 -1.595 -15.021 514 HG2 LYS 74 2HG LYS 74 8.799 0.125 -15.168 515 HG3 LYS 74 1HG LYS 74 9.023 -1.602 -15.077 516 HD2 LYS 74 2HD LYS 74 7.600 -1.796 -17.145 517 HD3 LYS 74 1HD LYS 74 7.453 -0.038 -17.164 518 HE2 LYS 74 2HE LYS 74 9.847 0.193 -17.433 519 HE3 LYS 74 1HE LYS 74 10.053 -1.551 -17.325 520 HZ1 LYS 74 1HZ LYS 74 8.520 -0.172 -19.482 521 HZ2 LYS 74 2HZ LYS 74 8.865 -1.814 -19.393 522 HZ3 LYS 74 3HZ LYS 74 10.108 -0.709 -19.623 523 H GLN 75 H GLN 75 4.263 -0.721 -14.911 524 HA GLN 75 HA GLN 75 2.921 0.307 -12.540 525 HB2 GLN 75 2HB GLN 75 1.779 -1.229 -14.879 526 HB3 GLN 75 1HB GLN 75 0.863 -0.754 -13.466 527 HG2 GLN 75 2HG GLN 75 0.268 0.833 -14.978 528 HG3 GLN 75 1HG GLN 75 1.571 1.647 -14.130 529 HE21 GLN 75 1HE2 GLN 75 0.447 2.130 -16.697 530 HE22 GLN 75 2HE2 GLN 75 1.695 2.033 -17.872 531 H ALA 76 H ALA 76 1.940 -0.992 -11.106 532 HA ALA 76 HA ALA 76 2.885 -3.771 -10.980 533 HB1 ALA 76 1HB ALA 76 3.602 -2.682 -8.971 534 HB2 ALA 76 2HB ALA 76 2.149 -3.565 -8.536 535 HB3 ALA 76 3HB ALA 76 2.071 -1.830 -8.802 536 HA PRO 77 HA PRO 77 -1.281 -5.340 -11.696 537 HB2 PRO 77 2HB PRO 77 -0.708 -6.879 -9.236 538 HB3 PRO 77 1HB PRO 77 -1.282 -7.449 -10.822 539 HG2 PRO 77 2HG PRO 77 1.167 -7.888 -10.140 540 HG3 PRO 77 1HG PRO 77 0.792 -7.310 -11.787 541 HD2 PRO 77 2HD PRO 77 1.940 -5.816 -9.486 542 HD3 PRO 77 1HD PRO 77 2.310 -5.710 -11.227 543 H ASP 78 H ASP 78 -3.321 -5.437 -10.830 544 HA ASP 78 HA ASP 78 -4.073 -3.288 -9.183 545 HB2 ASP 78 2HB ASP 78 -5.548 -4.121 -10.919 546 HB3 ASP 78 1HB ASP 78 -5.646 -5.690 -10.134 547 H TRP 79 H TRP 79 -3.268 -6.547 -8.462 548 HA TRP 79 HA TRP 79 -4.528 -6.517 -5.881 549 HB2 TRP 79 2HB TRP 79 -3.429 -8.758 -5.593 550 HB3 TRP 79 1HB TRP 79 -4.479 -8.615 -7.003 551 HD1 TRP 79 HD TRP 79 -3.445 -8.999 -9.275 552 HE1 TRP 79 1HE TRP 79 -1.161 -9.862 -10.109 553 HE3 TRP 79 3HE TRP 79 -0.816 -8.597 -4.925 554 HZ2 TRP 79 2HZ TRP 79 1.430 -10.260 -9.055 555 HZ3 TRP 79 3HZ TRP 79 1.554 -9.218 -4.924 556 HH2 TRP 79 HH TRP 79 2.653 -10.035 -6.946 557 H LEU 80 H LEU 80 -1.632 -5.156 -7.013 558 HA LEU 80 HA LEU 80 -0.277 -5.819 -4.560 559 HB2 LEU 80 2HB LEU 80 0.885 -5.840 -6.770 560 HB3 LEU 80 1HB LEU 80 0.705 -4.081 -6.827 561 HG LEU 80 HG LEU 80 2.034 -3.908 -4.787 562 HD11 LEU 80 1HD1 LEU 80 2.335 -6.867 -5.175 563 HD12 LEU 80 2HD1 LEU 80 1.560 -6.058 -3.799 564 HD13 LEU 80 3HD1 LEU 80 3.310 -5.912 -4.059 565 HD21 LEU 80 1HD2 LEU 80 3.218 -3.736 -6.923 566 HD22 LEU 80 2HD2 LEU 80 3.392 -5.486 -6.975 567 HD23 LEU 80 3HD2 LEU 80 4.220 -4.555 -5.731 568 H ALA 81 H ALA 81 -0.871 -4.721 -2.865 569 HA ALA 81 HA ALA 81 -1.497 -1.818 -3.124 570 HB1 ALA 81 1HB ALA 81 -3.412 -3.151 -2.306 571 HB2 ALA 81 2HB ALA 81 -2.775 -2.011 -1.107 572 HB3 ALA 81 3HB ALA 81 -2.385 -3.710 -0.971 573 H ALA 82 H ALA 82 -1.138 -0.610 -1.257 574 HA ALA 82 HA ALA 82 0.887 -1.465 0.624 575 HB1 ALA 82 1HB ALA 82 2.341 0.459 0.189 576 HB2 ALA 82 2HB ALA 82 1.310 0.943 -1.157 577 HB3 ALA 82 3HB ALA 82 2.220 -0.565 -1.243 578 H GLU 83 H GLU 83 0.708 -0.391 2.542 579 HA GLU 83 HA GLU 83 -0.668 2.136 2.754 580 HB2 GLU 83 2HB GLU 83 -2.115 1.293 4.604 581 HB3 GLU 83 1HB GLU 83 -2.499 0.490 3.091 582 HG2 GLU 83 2HG GLU 83 -1.212 -1.452 3.807 583 HG3 GLU 83 1HG GLU 83 -0.826 -0.633 5.318 584 HA PRO 84 HA PRO 84 2.799 2.282 5.603 585 HB2 PRO 84 2HB PRO 84 2.234 4.327 7.193 586 HB3 PRO 84 1HB PRO 84 2.353 4.586 5.486 587 HG2 PRO 84 2HG PRO 84 -0.179 4.115 6.990 588 HG3 PRO 84 1HG PRO 84 0.241 5.468 5.910 589 HD2 PRO 84 2HD PRO 84 -1.122 3.389 4.900 590 HD3 PRO 84 1HD PRO 84 0.229 4.198 4.043 591 H TYR 85 H TYR 85 3.480 1.749 7.659 592 HA TYR 85 HA TYR 85 1.586 0.008 9.028 593 HB2 TYR 85 2HB TYR 85 3.224 -1.345 8.590 594 HB3 TYR 85 1HB TYR 85 4.456 -0.184 8.421 595 HD1 TYR 85 1HD TYR 85 6.161 -0.299 10.111 596 HD2 TYR 85 2HD TYR 85 2.392 -2.122 10.861 597 HE1 TYR 85 1HE TYR 85 7.095 -1.405 12.094 598 HE2 TYR 85 2HE TYR 85 3.327 -3.236 12.853 599 HH TYR 85 HH TYR 85 6.422 -2.407 14.103 Start of MODEL 13 1 H SER 7 1HT SER 7 3.702 25.124 -8.821 2 HA SER 7 HA SER 7 3.759 25.119 -6.425 3 HB2 SER 7 2HB SER 7 3.200 27.251 -7.606 4 HB3 SER 7 1HB SER 7 1.497 26.808 -7.565 5 HG SER 7 HG SER 7 1.575 26.929 -5.311 6 H GLY 8 H GLY 8 3.096 23.624 -4.986 7 HA2 GLY 8 2HA GLY 8 0.205 23.118 -4.927 8 HA3 GLY 8 1HA GLY 8 1.401 21.864 -4.621 9 H ARG 9 H ARG 9 -0.188 24.704 -3.351 10 HA ARG 9 HA ARG 9 1.004 24.041 -0.770 11 HB2 ARG 9 2HB ARG 9 -0.472 26.563 -1.559 12 HB3 ARG 9 1HB ARG 9 0.154 26.228 0.047 13 HG2 ARG 9 2HG ARG 9 2.431 26.115 -0.919 14 HG3 ARG 9 1HG ARG 9 1.758 26.590 -2.473 15 HD2 ARG 9 2HD ARG 9 0.934 28.677 -1.435 16 HD3 ARG 9 1HD ARG 9 1.686 28.187 0.083 17 HE ARG 9 HE ARG 9 3.510 28.157 -2.087 18 HH11 ARG 9 1HH1 ARG 9 2.023 30.315 0.295 19 HH12 ARG 9 2HH1 ARG 9 3.251 31.487 0.188 20 HH21 ARG 9 1HH2 ARG 9 5.205 29.786 -2.214 21 HH22 ARG 9 2HH2 ARG 9 5.089 31.160 -1.221 22 H GLU 10 H GLU 10 -0.143 22.343 -0.324 23 HA GLU 10 HA GLU 10 -3.007 22.360 -0.470 24 HB2 GLU 10 2HB GLU 10 -2.785 20.056 0.526 25 HB3 GLU 10 1HB GLU 10 -1.996 20.292 -1.025 26 HG2 GLU 10 2HG GLU 10 0.163 20.485 0.078 27 HG3 GLU 10 1HG GLU 10 -0.611 20.334 1.651 28 H ASN 11 H ASN 11 -4.415 22.513 1.153 29 HA ASN 11 HA ASN 11 -3.665 23.695 3.621 30 HB2 ASN 11 2HB ASN 11 -5.934 24.041 2.709 31 HB3 ASN 11 1HB ASN 11 -6.257 22.315 2.829 32 HD21 ASN 11 1HD2 ASN 11 -6.749 21.427 4.858 33 HD22 ASN 11 2HD2 ASN 11 -7.038 22.384 6.256 34 H LEU 12 H LEU 12 -2.829 22.722 5.281 35 HA LEU 12 HA LEU 12 -2.393 19.943 5.318 36 HB2 LEU 12 2HB LEU 12 -1.987 21.989 7.484 37 HB3 LEU 12 1HB LEU 12 -1.613 20.299 7.694 38 HG LEU 12 HG LEU 12 -0.010 20.529 5.763 39 HD11 LEU 12 1HD1 LEU 12 -0.406 23.475 6.229 40 HD12 LEU 12 2HD1 LEU 12 -0.820 22.581 4.766 41 HD13 LEU 12 3HD1 LEU 12 0.866 22.745 5.250 42 HD21 LEU 12 1HD2 LEU 12 1.739 21.527 7.161 43 HD22 LEU 12 2HD2 LEU 12 0.742 20.366 8.035 44 HD23 LEU 12 3HD2 LEU 12 0.495 22.095 8.273 45 H TYR 13 H TYR 13 -3.993 18.659 5.412 46 HA TYR 13 HA TYR 13 -6.199 18.976 7.245 47 HB2 TYR 13 2HB TYR 13 -5.358 16.517 5.660 48 HB3 TYR 13 1HB TYR 13 -6.883 16.727 6.500 49 HD1 TYR 13 1HD TYR 13 -8.512 18.409 5.656 50 HD2 TYR 13 2HD TYR 13 -5.042 17.333 3.453 51 HE1 TYR 13 1HE TYR 13 -9.524 19.333 3.617 52 HE2 TYR 13 2HE TYR 13 -6.044 18.264 1.410 53 HH TYR 13 HH TYR 13 -8.314 18.747 0.535 54 H PHE 14 H PHE 14 -6.217 18.233 9.258 55 HA PHE 14 HA PHE 14 -3.785 17.109 10.335 56 HB2 PHE 14 2HB PHE 14 -6.374 17.864 11.716 57 HB3 PHE 14 1HB PHE 14 -4.862 17.429 12.512 58 HD1 PHE 14 1HD PHE 14 -6.721 20.044 10.838 59 HD2 PHE 14 2HD PHE 14 -2.901 18.914 12.328 60 HE1 PHE 14 1HE PHE 14 -5.985 22.388 10.725 61 HE2 PHE 14 2HE PHE 14 -2.167 21.258 12.224 62 HZ PHE 14 HZ PHE 14 -3.702 22.992 11.423 63 H GLN 15 H GLN 15 -3.475 15.058 10.870 64 HA GLN 15 HA GLN 15 -5.482 13.162 10.058 65 HB2 GLN 15 2HB GLN 15 -2.663 12.695 11.036 66 HB3 GLN 15 1HB GLN 15 -3.756 11.445 10.497 67 HG2 GLN 15 2HG GLN 15 -2.203 11.855 8.760 68 HG3 GLN 15 1HG GLN 15 -3.744 12.524 8.241 69 HE21 GLN 15 1HE2 GLN 15 -2.695 13.883 6.755 70 HE22 GLN 15 2HE2 GLN 15 -1.848 15.282 7.286 71 H GLY 16 H GLY 16 -6.681 12.033 11.334 72 HA2 GLY 16 2HA GLY 16 -6.198 12.045 14.225 73 HA3 GLY 16 1HA GLY 16 -7.678 11.484 13.423 74 H HIS 17 H HIS 17 -6.810 9.617 15.097 75 HA HIS 17 HA HIS 17 -4.870 8.121 13.670 76 HB2 HIS 17 2HB HIS 17 -5.938 7.686 16.385 77 HB3 HIS 17 1HB HIS 17 -5.233 6.311 15.526 78 HD1 HIS 17 1HD HIS 17 -4.246 9.505 17.232 79 HD2 HIS 17 2HD HIS 17 -2.529 6.603 14.801 80 HE1 HIS 17 1HE HIS 17 -1.768 9.889 17.322 81 H MET 18 H MET 18 -4.926 6.899 12.320 82 HA MET 18 HA MET 18 -7.102 5.168 11.496 83 HB2 MET 18 2HB MET 18 -5.701 7.129 9.651 84 HB3 MET 18 1HB MET 18 -7.039 6.077 9.243 85 HG2 MET 18 2HG MET 18 -8.561 7.451 10.481 86 HG3 MET 18 1HG MET 18 -7.154 8.309 11.131 87 HE1 MET 18 1HE MET 18 -5.594 9.907 9.693 88 HE2 MET 18 2HE MET 18 -5.860 10.292 7.996 89 HE3 MET 18 3HE MET 18 -5.324 8.679 8.449 90 H ALA 19 H ALA 19 -5.912 4.266 9.372 91 HA ALA 19 HA ALA 19 -3.262 3.361 10.103 92 HB1 ALA 19 1HB ALA 19 -4.526 1.988 8.505 93 HB2 ALA 19 2HB ALA 19 -3.070 2.589 7.709 94 HB3 ALA 19 3HB ALA 19 -4.628 3.341 7.384 95 H ALA 20 H ALA 20 -1.886 4.980 10.470 96 HA ALA 20 HA ALA 20 -2.092 7.444 8.945 97 HB1 ALA 20 1HB ALA 20 -2.326 7.555 11.372 98 HB2 ALA 20 2HB ALA 20 -0.862 8.400 10.859 99 HB3 ALA 20 3HB ALA 20 -0.750 6.792 11.567 100 HA PRO 21 HA PRO 21 1.860 7.000 6.966 101 HB2 PRO 21 2HB PRO 21 2.948 9.505 7.393 102 HB3 PRO 21 1HB PRO 21 1.723 9.157 6.153 103 HG2 PRO 21 2HG PRO 21 1.353 10.299 8.858 104 HG3 PRO 21 1HG PRO 21 0.625 10.800 7.313 105 HD2 PRO 21 2HD PRO 21 -0.776 9.348 9.020 106 HD3 PRO 21 1HD PRO 21 -0.868 9.035 7.278 107 H ALA 22 H ALA 22 2.590 5.507 8.434 108 HA ALA 22 HA ALA 22 4.032 6.308 10.828 109 HB1 ALA 22 1HB ALA 22 3.298 3.628 9.676 110 HB2 ALA 22 2HB ALA 22 2.392 4.506 10.903 111 HB3 ALA 22 3HB ALA 22 4.008 3.881 11.268 112 H ARG 23 H ARG 23 5.013 6.801 8.185 113 HA ARG 23 HA ARG 23 6.878 6.776 6.906 114 HB2 ARG 23 2HB ARG 23 7.701 7.650 9.058 115 HB3 ARG 23 1HB ARG 23 8.170 6.024 9.527 116 HG2 ARG 23 2HG ARG 23 9.787 5.943 7.773 117 HG3 ARG 23 1HG ARG 23 9.253 7.519 7.169 118 HD2 ARG 23 2HD ARG 23 9.958 8.587 9.209 119 HD3 ARG 23 1HD ARG 23 10.393 7.032 9.917 120 HE ARG 23 HE ARG 23 12.001 6.946 7.924 121 HH11 ARG 23 1HH1 ARG 23 11.099 10.018 9.440 122 HH12 ARG 23 2HH1 ARG 23 12.658 10.678 9.337 123 HH21 ARG 23 1HH2 ARG 23 14.108 7.837 7.774 124 HH22 ARG 23 2HH2 ARG 23 14.422 9.413 8.345 125 H SER 24 H SER 24 5.398 4.168 7.208 126 HA SER 24 HA SER 24 7.336 2.622 5.709 127 HB2 SER 24 2HB SER 24 5.874 1.551 8.126 128 HB3 SER 24 1HB SER 24 6.862 0.578 7.038 129 HG SER 24 HG SER 24 8.029 2.832 8.117 130 H CYS 25 H CYS 25 6.255 1.668 3.975 131 HA CYS 25 HA CYS 25 3.353 1.560 4.183 132 HB2 CYS 25 2HB CYS 25 5.149 2.057 1.823 133 HB3 CYS 25 1HB CYS 25 3.564 1.304 1.590 134 H VAL 26 H VAL 26 2.423 -0.306 3.988 135 HA VAL 26 HA VAL 26 4.230 -2.589 3.998 136 HB VAL 26 HB VAL 26 1.356 -2.484 5.007 137 HG11 VAL 26 1HG1 VAL 26 2.416 -4.682 4.817 138 HG12 VAL 26 2HG1 VAL 26 2.078 -4.164 6.488 139 HG13 VAL 26 3HG1 VAL 26 3.720 -4.073 5.855 140 HG21 VAL 26 1HG2 VAL 26 2.185 -1.960 7.128 141 HG22 VAL 26 2HG2 VAL 26 2.440 -0.684 5.935 142 HG23 VAL 26 3HG2 VAL 26 3.803 -1.698 6.440 143 H TYR 27 H TYR 27 4.189 -3.783 2.260 144 HA TYR 27 HA TYR 27 2.099 -3.267 0.333 145 HB2 TYR 27 2HB TYR 27 4.830 -4.530 0.051 146 HB3 TYR 27 1HB TYR 27 3.633 -4.545 -1.242 147 HD1 TYR 27 1HD TYR 27 5.022 -2.020 1.143 148 HD2 TYR 27 2HD TYR 27 3.941 -2.917 -2.857 149 HE1 TYR 27 1HE TYR 27 5.730 0.221 0.477 150 HE2 TYR 27 2HE TYR 27 4.653 -0.659 -3.546 151 HH TYR 27 HH TYR 27 4.978 1.560 -2.564 152 H TYR 28 H TYR 28 0.671 -4.636 -0.253 153 HA TYR 28 HA TYR 28 0.695 -7.297 0.944 154 HB2 TYR 28 2HB TYR 28 -1.578 -5.329 0.714 155 HB3 TYR 28 1HB TYR 28 -1.720 -7.027 1.154 156 HD1 TYR 28 1HD TYR 28 -0.937 -7.786 3.344 157 HD2 TYR 28 2HD TYR 28 -0.901 -3.646 2.349 158 HE1 TYR 28 1HE TYR 28 -0.779 -7.239 5.709 159 HE2 TYR 28 2HE TYR 28 -0.728 -3.100 4.697 160 HH TYR 28 HH TYR 28 -1.262 -4.010 6.787 161 H ASP 29 H ASP 29 -0.137 -8.838 -0.334 162 HA ASP 29 HA ASP 29 -0.749 -8.268 -3.142 163 HB2 ASP 29 2HB ASP 29 0.598 -10.216 -2.583 164 HB3 ASP 29 1HB ASP 29 -0.638 -10.753 -1.447 165 H GLY 30 H GLY 30 -2.740 -7.298 -3.158 166 HA2 GLY 30 2HA GLY 30 -4.926 -8.971 -2.766 167 HA3 GLY 30 1HA GLY 30 -4.904 -7.868 -1.420 168 H HIS 31 H HIS 31 -6.662 -8.351 -3.676 169 HA HIS 31 HA HIS 31 -6.712 -5.706 -4.909 170 HB2 HIS 31 2HB HIS 31 -8.630 -8.044 -5.114 171 HB3 HIS 31 1HB HIS 31 -8.931 -6.469 -5.849 172 HD1 HIS 31 1HD HIS 31 -7.347 -5.857 -7.962 173 HD2 HIS 31 2HD HIS 31 -7.019 -9.735 -6.475 174 HE1 HIS 31 1HE HIS 31 -6.218 -7.199 -9.744 175 H LEU 32 H LEU 32 -8.033 -7.575 -2.346 176 HA LEU 32 HA LEU 32 -9.823 -5.393 -1.583 177 HB2 LEU 32 2HB LEU 32 -9.831 -8.318 -0.834 178 HB3 LEU 32 1HB LEU 32 -10.758 -7.122 0.029 179 HG LEU 32 HG LEU 32 -12.002 -6.669 -2.068 180 HD11 LEU 32 1HD1 LEU 32 -11.975 -8.385 -3.833 181 HD12 LEU 32 2HD1 LEU 32 -10.577 -9.138 -3.062 182 HD13 LEU 32 3HD1 LEU 32 -10.450 -7.509 -3.726 183 HD21 LEU 32 1HD2 LEU 32 -13.386 -8.697 -1.909 184 HD22 LEU 32 2HD2 LEU 32 -12.940 -8.035 -0.336 185 HD23 LEU 32 3HD2 LEU 32 -12.111 -9.461 -0.959 186 HA PRO 33 HA PRO 33 -7.125 -4.806 1.946 187 HB2 PRO 33 2HB PRO 33 -8.794 -3.428 3.545 188 HB3 PRO 33 1HB PRO 33 -8.199 -2.697 2.036 189 HG2 PRO 33 2HG PRO 33 -10.812 -4.050 2.529 190 HG3 PRO 33 1HG PRO 33 -10.486 -2.499 1.729 191 HD2 PRO 33 2HD PRO 33 -10.890 -4.749 0.312 192 HD3 PRO 33 1HD PRO 33 -9.757 -3.475 -0.217 193 H ALA 34 H ALA 34 -9.606 -6.843 1.667 194 HA ALA 34 HA ALA 34 -9.816 -7.717 4.450 195 HB1 ALA 34 1HB ALA 34 -11.506 -9.264 3.566 196 HB2 ALA 34 2HB ALA 34 -11.142 -8.721 1.932 197 HB3 ALA 34 3HB ALA 34 -11.845 -7.600 3.093 198 H THR 35 H THR 35 -9.139 -9.307 1.274 199 HA THR 35 HA THR 35 -8.087 -11.633 2.565 200 HB THR 35 HB THR 35 -8.058 -12.253 0.045 201 HG1 THR 35 1HG THR 35 -8.678 -10.689 -1.223 202 HG21 THR 35 1HG2 THR 35 -10.665 -11.551 1.429 203 HG22 THR 35 2HG2 THR 35 -9.752 -13.034 1.691 204 HG23 THR 35 3HG2 THR 35 -10.471 -12.712 0.114 205 H ARG 36 H ARG 36 -6.617 -8.867 2.095 206 HA ARG 36 HA ARG 36 -4.552 -9.485 0.268 207 HB2 ARG 36 2HB ARG 36 -3.603 -7.413 0.716 208 HB3 ARG 36 1HB ARG 36 -5.309 -7.171 0.950 209 HG2 ARG 36 2HG ARG 36 -3.353 -7.606 3.185 210 HG3 ARG 36 1HG ARG 36 -3.853 -6.033 2.596 211 HD2 ARG 36 2HD ARG 36 -6.169 -6.562 3.276 212 HD3 ARG 36 1HD ARG 36 -5.605 -8.121 3.893 213 HE ARG 36 HE ARG 36 -4.731 -7.097 5.690 214 HH11 ARG 36 1HH1 ARG 36 -5.534 -4.543 3.335 215 HH12 ARG 36 2HH1 ARG 36 -5.028 -3.277 4.374 216 HH21 ARG 36 1HH2 ARG 36 -4.065 -5.331 7.048 217 HH22 ARG 36 2HH2 ARG 36 -4.181 -3.710 6.479 218 H VAL 37 H VAL 37 -2.295 -9.687 0.685 219 HA VAL 37 HA VAL 37 -1.689 -11.329 3.082 220 HB VAL 37 HB VAL 37 -0.492 -11.601 0.317 221 HG11 VAL 37 1HG1 VAL 37 0.960 -12.403 2.041 222 HG12 VAL 37 2HG1 VAL 37 0.343 -13.753 1.092 223 HG13 VAL 37 3HG1 VAL 37 -0.323 -13.425 2.695 224 HG21 VAL 37 1HG2 VAL 37 -2.847 -12.208 0.177 225 HG22 VAL 37 2HG2 VAL 37 -2.631 -13.328 1.528 226 HG23 VAL 37 3HG2 VAL 37 -1.811 -13.627 -0.007 227 H LEU 38 H LEU 38 0.101 -10.626 4.173 228 HA LEU 38 HA LEU 38 1.425 -8.233 3.486 229 HB2 LEU 38 2HB LEU 38 1.338 -8.851 5.788 230 HB3 LEU 38 1HB LEU 38 2.124 -10.389 5.466 231 HG LEU 38 HG LEU 38 4.160 -9.144 4.774 232 HD11 LEU 38 1HD1 LEU 38 3.201 -7.027 4.194 233 HD12 LEU 38 2HD1 LEU 38 4.430 -6.824 5.445 234 HD13 LEU 38 3HD1 LEU 38 2.718 -6.758 5.868 235 HD21 LEU 38 1HD2 LEU 38 4.015 -10.101 6.961 236 HD22 LEU 38 2HD2 LEU 38 3.220 -8.626 7.563 237 HD23 LEU 38 3HD2 LEU 38 4.894 -8.568 6.984 238 H LEU 39 H LEU 39 2.855 -7.967 1.985 239 HA LEU 39 HA LEU 39 4.462 -10.197 1.057 240 HB2 LEU 39 2HB LEU 39 4.169 -7.383 0.030 241 HB3 LEU 39 1HB LEU 39 5.147 -8.632 -0.729 242 HG LEU 39 HG LEU 39 2.154 -8.723 -0.369 243 HD11 LEU 39 1HD1 LEU 39 2.825 -7.112 -2.063 244 HD12 LEU 39 2HD1 LEU 39 2.063 -8.525 -2.788 245 HD13 LEU 39 3HD1 LEU 39 3.815 -8.342 -2.850 246 HD21 LEU 39 1HD2 LEU 39 3.092 -10.906 -0.211 247 HD22 LEU 39 2HD2 LEU 39 4.096 -10.623 -1.627 248 HD23 LEU 39 3HD2 LEU 39 2.340 -10.741 -1.802 249 H MET 40 H MET 40 4.946 -6.882 2.234 250 HA MET 40 HA MET 40 7.342 -7.452 3.629 251 HB2 MET 40 2HB MET 40 7.966 -7.617 1.148 252 HB3 MET 40 1HB MET 40 7.587 -5.897 1.067 253 HG2 MET 40 2HG MET 40 9.279 -5.380 2.672 254 HG3 MET 40 1HG MET 40 9.477 -7.129 2.915 255 HE1 MET 40 1HE MET 40 10.749 -8.722 1.270 256 HE2 MET 40 2HE MET 40 11.273 -8.276 -0.352 257 HE3 MET 40 3HE MET 40 9.553 -8.360 0.020 258 H TYR 41 H TYR 41 8.016 -5.640 4.759 259 HA TYR 41 HA TYR 41 6.285 -3.274 4.750 260 HB2 TYR 41 2HB TYR 41 8.527 -4.158 6.601 261 HB3 TYR 41 1HB TYR 41 7.643 -2.658 6.769 262 HD1 TYR 41 1HD TYR 41 7.524 -6.301 7.197 263 HD2 TYR 41 2HD TYR 41 5.408 -2.649 7.688 264 HE1 TYR 41 1HE TYR 41 5.928 -7.433 8.684 265 HE2 TYR 41 2HE TYR 41 3.805 -3.773 9.174 266 HH TYR 41 HH TYR 41 4.396 -6.834 10.461 267 H VAL 42 H VAL 42 6.984 -1.497 3.644 268 HA VAL 42 HA VAL 42 9.841 -1.379 2.989 269 HB VAL 42 HB VAL 42 7.583 -0.045 1.502 270 HG11 VAL 42 1HG1 VAL 42 9.292 0.316 -0.237 271 HG12 VAL 42 2HG1 VAL 42 10.507 -0.395 0.824 272 HG13 VAL 42 3HG1 VAL 42 9.715 1.110 1.278 273 HG21 VAL 42 1HG2 VAL 42 9.118 -2.541 0.824 274 HG22 VAL 42 2HG2 VAL 42 7.935 -1.727 -0.216 275 HG23 VAL 42 3HG2 VAL 42 7.421 -2.446 1.312 276 H ARG 43 H ARG 43 10.876 0.150 4.116 277 HA ARG 43 HA ARG 43 9.594 2.089 5.714 278 HB2 ARG 43 2HB ARG 43 11.917 1.029 6.007 279 HB3 ARG 43 1HB ARG 43 12.459 2.107 4.736 280 HG2 ARG 43 2HG ARG 43 13.060 3.050 6.852 281 HG3 ARG 43 1HG ARG 43 11.758 4.023 6.165 282 HD2 ARG 43 2HD ARG 43 10.133 2.964 7.558 283 HD3 ARG 43 1HD ARG 43 11.309 1.801 8.148 284 HE ARG 43 HE ARG 43 12.204 4.372 8.750 285 HH11 ARG 43 1HH1 ARG 43 9.686 2.072 9.693 286 HH12 ARG 43 2HH1 ARG 43 9.472 2.735 11.254 287 HH21 ARG 43 1HH2 ARG 43 11.855 5.297 10.978 288 HH22 ARG 43 2HH2 ARG 43 10.686 4.551 11.958 289 H ILE 44 H ILE 44 9.007 4.062 5.135 290 HA ILE 44 HA ILE 44 8.964 4.889 2.403 291 HB ILE 44 HB ILE 44 8.730 6.801 4.739 292 HG12 ILE 44 2HG1 ILE 44 7.280 4.897 4.889 293 HG13 ILE 44 1HG1 ILE 44 6.338 6.375 4.771 294 HG21 ILE 44 1HG2 ILE 44 9.050 7.907 2.594 295 HG22 ILE 44 2HG2 ILE 44 7.419 8.185 3.189 296 HG23 ILE 44 3HG2 ILE 44 7.699 7.007 1.908 297 HD11 ILE 44 1HD1 ILE 44 5.285 4.634 3.610 298 HD12 ILE 44 2HD1 ILE 44 6.742 4.162 2.773 299 HD13 ILE 44 3HD1 ILE 44 5.929 5.703 2.371 300 H GLY 45 H GLY 45 10.418 5.766 1.226 301 HA2 GLY 45 2HA GLY 45 12.299 7.146 0.710 302 HA3 GLY 45 1HA GLY 45 12.694 7.186 2.430 303 H ASN 46 H ASN 46 11.844 4.194 0.986 304 HA ASN 46 HA ASN 46 14.603 3.392 0.496 305 HB2 ASN 46 2HB ASN 46 14.141 2.793 2.759 306 HB3 ASN 46 1HB ASN 46 12.631 2.022 2.230 307 HD21 ASN 46 1HD2 ASN 46 13.304 -0.023 3.156 308 HD22 ASN 46 2HD2 ASN 46 14.586 -0.936 2.466 309 H THR 47 H THR 47 14.654 1.498 -0.705 310 HA THR 47 HA THR 47 12.300 1.151 -2.432 311 HB THR 47 HB THR 47 13.869 0.193 -4.029 312 HG1 THR 47 1HG THR 47 15.677 -0.289 -2.876 313 HG21 THR 47 1HG2 THR 47 14.406 3.065 -3.244 314 HG22 THR 47 2HG2 THR 47 13.151 2.492 -4.343 315 HG23 THR 47 3HG2 THR 47 14.847 2.377 -4.806 316 H ALA 48 H ALA 48 11.842 -0.923 -3.081 317 HA ALA 48 HA ALA 48 13.121 -3.116 -1.614 318 HB1 ALA 48 1HB ALA 48 11.070 -3.947 -0.615 319 HB2 ALA 48 2HB ALA 48 10.184 -2.564 -1.258 320 HB3 ALA 48 3HB ALA 48 11.444 -2.320 -0.043 321 H THR 49 H THR 49 13.259 -4.890 -2.781 322 HA THR 49 HA THR 49 11.788 -5.187 -5.238 323 HB THR 49 HB THR 49 13.669 -7.181 -3.957 324 HG1 THR 49 1HG THR 49 14.658 -5.144 -5.673 325 HG21 THR 49 1HG2 THR 49 13.165 -6.370 -6.831 326 HG22 THR 49 2HG2 THR 49 12.483 -7.793 -6.046 327 HG23 THR 49 3HG2 THR 49 14.226 -7.673 -6.289 328 H ILE 50 H ILE 50 9.723 -5.872 -4.910 329 HA ILE 50 HA ILE 50 9.071 -7.733 -2.716 330 HB ILE 50 HB ILE 50 7.175 -6.584 -4.751 331 HG12 ILE 50 2HG1 ILE 50 8.332 -4.655 -3.816 332 HG13 ILE 50 1HG1 ILE 50 6.658 -4.725 -3.255 333 HG21 ILE 50 1HG2 ILE 50 6.782 -7.507 -1.920 334 HG22 ILE 50 2HG2 ILE 50 6.315 -8.369 -3.386 335 HG23 ILE 50 3HG2 ILE 50 5.520 -6.851 -2.960 336 HD11 ILE 50 1HD1 ILE 50 9.116 -5.530 -1.757 337 HD12 ILE 50 2HD1 ILE 50 7.459 -5.665 -1.152 338 HD13 ILE 50 3HD1 ILE 50 8.163 -4.059 -1.495 339 H THR 51 H THR 51 9.373 -9.876 -3.337 340 HA THR 51 HA THR 51 8.482 -10.449 -6.078 341 HB THR 51 HB THR 51 9.620 -12.424 -4.068 342 HG1 THR 51 1HG THR 51 10.884 -10.430 -4.991 343 HG21 THR 51 1HG2 THR 51 9.445 -12.484 -7.092 344 HG22 THR 51 2HG2 THR 51 8.399 -13.386 -6.005 345 HG23 THR 51 3HG2 THR 51 10.127 -13.751 -6.073 346 H ALA 52 H ALA 52 6.428 -11.039 -6.374 347 HA ALA 52 HA ALA 52 4.994 -12.449 -4.252 348 HB1 ALA 52 1HB ALA 52 4.475 -10.082 -3.927 349 HB2 ALA 52 2HB ALA 52 3.063 -10.963 -4.511 350 HB3 ALA 52 3HB ALA 52 3.992 -9.948 -5.619 351 H ARG 53 H ARG 53 4.084 -14.128 -5.115 352 HA ARG 53 HA ARG 53 3.190 -15.605 -6.503 353 HB2 ARG 53 2HB ARG 53 2.367 -13.232 -8.194 354 HB3 ARG 53 1HB ARG 53 1.730 -14.873 -8.350 355 HG2 ARG 53 2HG ARG 53 0.778 -14.654 -6.092 356 HG3 ARG 53 1HG ARG 53 1.370 -12.981 -6.033 357 HD2 ARG 53 2HD ARG 53 0.065 -12.540 -8.118 358 HD3 ARG 53 1HD ARG 53 -0.628 -14.151 -7.960 359 HE ARG 53 HE ARG 53 -0.863 -12.391 -5.679 360 HH11 ARG 53 1HH1 ARG 53 -2.476 -13.834 -8.476 361 HH12 ARG 53 2HH1 ARG 53 -4.040 -13.346 -8.028 362 HH21 ARG 53 1HH2 ARG 53 -2.946 -11.727 -5.052 363 HH22 ARG 53 2HH2 ARG 53 -4.338 -12.085 -5.984 364 H GLY 54 H GLY 54 5.821 -14.501 -6.846 365 HA2 GLY 54 2HA GLY 54 7.610 -15.409 -8.082 366 HA3 GLY 54 1HA GLY 54 6.473 -15.817 -9.376 367 H HIS 55 H HIS 55 5.820 -12.697 -8.508 368 HA HIS 55 HA HIS 55 7.487 -11.678 -10.733 369 HB2 HIS 55 2HB HIS 55 4.960 -10.491 -9.565 370 HB3 HIS 55 1HB HIS 55 5.796 -9.966 -11.027 371 HD1 HIS 55 1HD HIS 55 5.105 -11.219 -13.227 372 HD2 HIS 55 2HD HIS 55 3.477 -12.841 -9.771 373 HE1 HIS 55 1HE HIS 55 3.343 -12.849 -13.977 374 H GLU 56 H GLU 56 9.092 -10.264 -10.163 375 HA GLU 56 HA GLU 56 9.113 -9.109 -7.545 376 HB2 GLU 56 2HB GLU 56 11.047 -8.806 -9.842 377 HB3 GLU 56 1HB GLU 56 11.233 -8.016 -8.295 378 HG2 GLU 56 2HG GLU 56 12.654 -9.814 -8.142 379 HG3 GLU 56 1HG GLU 56 11.207 -10.389 -7.326 380 H PHE 57 H PHE 57 8.510 -7.146 -7.021 381 HA PHE 57 HA PHE 57 8.136 -5.120 -9.097 382 HB2 PHE 57 2HB PHE 57 6.736 -5.482 -6.430 383 HB3 PHE 57 1HB PHE 57 6.373 -4.246 -7.632 384 HD1 PHE 57 1HD PHE 57 5.462 -7.347 -6.317 385 HD2 PHE 57 2HD PHE 57 5.666 -5.184 -9.974 386 HE1 PHE 57 1HE PHE 57 3.789 -8.848 -7.299 387 HE2 PHE 57 2HE PHE 57 3.993 -6.681 -10.954 388 HZ PHE 57 HZ PHE 57 3.047 -8.518 -9.601 389 H GLU 58 H GLU 58 10.125 -4.126 -8.834 390 HA GLU 58 HA GLU 58 10.815 -3.627 -6.059 391 HB2 GLU 58 2HB GLU 58 12.663 -4.387 -7.677 392 HB3 GLU 58 1HB GLU 58 12.542 -2.767 -8.382 393 HG2 GLU 58 2HG GLU 58 13.108 -1.734 -6.334 394 HG3 GLU 58 1HG GLU 58 13.031 -3.297 -5.532 395 H VAL 59 H VAL 59 10.035 -2.019 -5.149 396 HA VAL 59 HA VAL 59 9.092 0.296 -6.739 397 HB VAL 59 HB VAL 59 7.539 0.721 -4.898 398 HG11 VAL 59 1HG1 VAL 59 7.414 -2.145 -5.810 399 HG12 VAL 59 2HG1 VAL 59 6.691 -0.751 -6.627 400 HG13 VAL 59 3HG1 VAL 59 6.093 -1.263 -5.051 401 HG21 VAL 59 1HG2 VAL 59 7.307 -0.842 -3.071 402 HG22 VAL 59 2HG2 VAL 59 8.925 -0.082 -3.139 403 HG23 VAL 59 3HG2 VAL 59 8.703 -1.746 -3.708 404 H GLU 60 H GLU 60 9.143 2.285 -5.704 405 HA GLU 60 HA GLU 60 11.163 2.571 -3.609 406 HB2 GLU 60 2HB GLU 60 11.883 3.595 -5.781 407 HB3 GLU 60 1HB GLU 60 10.412 4.569 -5.778 408 HG2 GLU 60 2HG GLU 60 11.145 5.750 -3.809 409 HG3 GLU 60 1HG GLU 60 12.546 4.694 -3.655 410 H ALA 61 H ALA 61 10.142 3.004 -1.777 411 HA ALA 61 HA ALA 61 7.400 3.887 -1.811 412 HB1 ALA 61 1HB ALA 61 8.149 2.338 -0.065 413 HB2 ALA 61 2HB ALA 61 7.517 3.825 0.637 414 HB3 ALA 61 3HB ALA 61 9.260 3.563 0.550 415 H LYS 62 H LYS 62 7.411 5.726 -2.779 416 HA LYS 62 HA LYS 62 9.060 7.965 -2.380 417 HB2 LYS 62 2HB LYS 62 6.193 8.051 -3.315 418 HB3 LYS 62 1HB LYS 62 7.463 9.192 -3.682 419 HG2 LYS 62 2HG LYS 62 7.351 6.344 -4.662 420 HG3 LYS 62 1HG LYS 62 6.813 7.773 -5.553 421 HD2 LYS 62 2HD LYS 62 9.635 7.234 -4.639 422 HD3 LYS 62 1HD LYS 62 9.025 6.969 -6.268 423 HE2 LYS 62 2HE LYS 62 8.420 9.422 -6.307 424 HE3 LYS 62 1HE LYS 62 9.336 9.581 -4.808 425 HZ1 LYS 62 1HZ LYS 62 10.818 10.104 -6.573 426 HZ2 LYS 62 2HZ LYS 62 10.312 8.787 -7.465 427 HZ3 LYS 62 3HZ LYS 62 11.244 8.529 -6.086 428 H ASP 63 H ASP 63 5.721 7.374 -1.297 429 HA ASP 63 HA ASP 63 5.978 9.571 0.649 430 HB2 ASP 63 2HB ASP 63 3.662 8.908 -1.172 431 HB3 ASP 63 1HB ASP 63 3.518 9.947 0.236 432 H GLN 64 H GLN 64 4.616 9.362 2.478 433 HA GLN 64 HA GLN 64 4.307 6.647 3.384 434 HB2 GLN 64 2HB GLN 64 3.183 9.018 4.799 435 HB3 GLN 64 1HB GLN 64 3.690 7.491 5.465 436 HG2 GLN 64 2HG GLN 64 5.366 8.909 6.215 437 HG3 GLN 64 1HG GLN 64 6.091 8.275 4.744 438 HE21 GLN 64 1HE2 GLN 64 6.679 10.719 6.143 439 HE22 GLN 64 2HE2 GLN 64 6.407 12.013 5.049 440 H ASN 65 H ASN 65 2.518 8.596 1.508 441 HA ASN 65 HA ASN 65 -0.115 7.682 2.401 442 HB2 ASN 65 2HB ASN 65 0.212 10.052 1.592 443 HB3 ASN 65 1HB ASN 65 0.633 9.396 0.003 444 HD21 ASN 65 1HD2 ASN 65 -1.077 10.513 -0.970 445 HD22 ASN 65 2HD2 ASN 65 -2.707 10.027 -0.784 446 H CYS 66 H CYS 66 2.272 6.254 1.215 447 HA CYS 66 HA CYS 66 2.782 4.515 0.059 448 HB2 CYS 66 2HB CYS 66 -0.127 3.924 0.432 449 HB3 CYS 66 1HB CYS 66 1.042 2.752 -0.202 450 H LYS 67 H LYS 67 3.018 6.395 -1.574 451 HA LYS 67 HA LYS 67 1.542 5.581 -3.884 452 HB2 LYS 67 2HB LYS 67 2.914 7.953 -3.225 453 HB3 LYS 67 1HB LYS 67 3.489 7.365 -4.802 454 HG2 LYS 67 2HG LYS 67 1.664 8.835 -5.191 455 HG3 LYS 67 1HG LYS 67 1.094 7.209 -5.461 456 HD2 LYS 67 2HD LYS 67 0.808 7.963 -2.720 457 HD3 LYS 67 1HD LYS 67 -0.152 9.039 -3.769 458 HE2 LYS 67 2HE LYS 67 -1.194 6.956 -4.701 459 HE3 LYS 67 1HE LYS 67 -0.194 6.030 -3.578 460 HZ1 LYS 67 1HZ LYS 67 -2.457 6.336 -2.768 461 HZ2 LYS 67 2HZ LYS 67 -2.276 7.990 -2.765 462 HZ3 LYS 67 3HZ LYS 67 -1.338 7.027 -1.726 463 H VAL 68 H VAL 68 1.958 4.305 -5.063 464 HA VAL 68 HA VAL 68 4.470 2.867 -4.733 465 HB VAL 68 HB VAL 68 2.603 1.420 -4.330 466 HG11 VAL 68 1HG1 VAL 68 0.853 2.552 -5.554 467 HG12 VAL 68 2HG1 VAL 68 0.920 0.852 -6.023 468 HG13 VAL 68 3HG1 VAL 68 1.591 2.090 -7.086 469 HG21 VAL 68 1HG2 VAL 68 4.521 0.382 -5.418 470 HG22 VAL 68 2HG2 VAL 68 3.839 0.754 -6.995 471 HG23 VAL 68 3HG2 VAL 68 3.022 -0.390 -5.939 472 H ILE 69 H ILE 69 5.892 3.748 -5.879 473 HA ILE 69 HA ILE 69 5.392 3.908 -8.745 474 HB ILE 69 HB ILE 69 7.194 5.617 -7.021 475 HG12 ILE 69 2HG1 ILE 69 6.156 7.467 -8.354 476 HG13 ILE 69 1HG1 ILE 69 5.110 6.292 -9.106 477 HG21 ILE 69 1HG2 ILE 69 7.340 5.345 -10.017 478 HG22 ILE 69 2HG2 ILE 69 8.566 4.827 -8.859 479 HG23 ILE 69 3HG2 ILE 69 8.207 6.541 -9.054 480 HD11 ILE 69 1HD1 ILE 69 4.061 5.835 -6.953 481 HD12 ILE 69 2HD1 ILE 69 3.964 7.551 -7.346 482 HD13 ILE 69 3HD1 ILE 69 5.136 6.978 -6.167 483 H LEU 70 H LEU 70 6.344 2.368 -9.784 484 HA LEU 70 HA LEU 70 8.195 0.689 -8.434 485 HB2 LEU 70 2HB LEU 70 6.924 0.677 -11.107 486 HB3 LEU 70 1HB LEU 70 8.344 -0.310 -10.833 487 HG LEU 70 HG LEU 70 6.278 -1.528 -10.622 488 HD11 LEU 70 1HD1 LEU 70 6.721 -2.618 -8.521 489 HD12 LEU 70 2HD1 LEU 70 7.913 -1.368 -8.154 490 HD13 LEU 70 3HD1 LEU 70 8.133 -2.418 -9.549 491 HD21 LEU 70 1HD2 LEU 70 5.722 0.275 -8.299 492 HD22 LEU 70 2HD2 LEU 70 4.933 -1.272 -8.573 493 HD23 LEU 70 3HD2 LEU 70 4.725 0.039 -9.746 494 H THR 71 H THR 71 10.159 0.426 -8.813 495 HA THR 71 HA THR 71 11.484 2.793 -9.955 496 HB THR 71 HB THR 71 12.372 2.000 -7.759 497 HG1 THR 71 1HG THR 71 13.861 2.565 -9.961 498 HG21 THR 71 1HG2 THR 71 13.851 0.059 -7.670 499 HG22 THR 71 2HG2 THR 71 13.448 -0.319 -9.350 500 HG23 THR 71 3HG2 THR 71 12.203 -0.392 -8.101 501 H ASN 72 H ASN 72 10.389 0.103 -11.094 502 HA ASN 72 HA ASN 72 12.380 -0.383 -13.166 503 HB2 ASN 72 2HB ASN 72 9.626 -1.581 -12.772 504 HB3 ASN 72 1HB ASN 72 10.769 -2.059 -14.032 505 HD21 ASN 72 1HD2 ASN 72 9.602 -3.793 -12.072 506 HD22 ASN 72 2HD2 ASN 72 10.920 -4.387 -11.137 507 H GLY 73 H GLY 73 9.895 1.734 -12.570 508 HA2 GLY 73 2HA GLY 73 9.283 3.546 -13.928 509 HA3 GLY 73 1HA GLY 73 9.889 2.659 -15.342 510 H LYS 74 H LYS 74 8.034 0.993 -13.111 511 HA LYS 74 HA LYS 74 5.945 0.529 -15.077 512 HB2 LYS 74 2HB LYS 74 6.934 -0.918 -12.644 513 HB3 LYS 74 1HB LYS 74 5.539 -1.424 -13.579 514 HG2 LYS 74 2HG LYS 74 8.156 -1.004 -14.891 515 HG3 LYS 74 1HG LYS 74 7.867 -2.495 -14.006 516 HD2 LYS 74 2HD LYS 74 5.791 -2.789 -15.371 517 HD3 LYS 74 1HD LYS 74 6.231 -1.350 -16.289 518 HE2 LYS 74 2HE LYS 74 8.285 -2.467 -17.014 519 HE3 LYS 74 1HE LYS 74 7.828 -3.892 -16.077 520 HZ1 LYS 74 1HZ LYS 74 5.846 -4.102 -17.461 521 HZ2 LYS 74 2HZ LYS 74 7.247 -4.191 -18.390 522 HZ3 LYS 74 3HZ LYS 74 6.332 -2.771 -18.383 523 H GLN 75 H GLN 75 3.832 0.394 -14.414 524 HA GLN 75 HA GLN 75 3.026 1.773 -11.979 525 HB2 GLN 75 2HB GLN 75 1.391 0.464 -14.189 526 HB3 GLN 75 1HB GLN 75 0.712 1.295 -12.809 527 HG2 GLN 75 2HG GLN 75 1.695 3.388 -13.602 528 HG3 GLN 75 1HG GLN 75 2.339 2.537 -15.015 529 HE21 GLN 75 1HE2 GLN 75 1.108 3.758 -16.482 530 HE22 GLN 75 2HE2 GLN 75 -0.600 3.570 -16.611 531 H ALA 76 H ALA 76 1.582 0.459 -10.566 532 HA ALA 76 HA ALA 76 2.658 -2.260 -10.570 533 HB1 ALA 76 1HB ALA 76 1.296 -0.884 -8.245 534 HB2 ALA 76 2HB ALA 76 3.034 -0.953 -8.529 535 HB3 ALA 76 3HB ALA 76 2.141 -2.437 -8.257 536 HA PRO 77 HA PRO 77 -1.201 -4.272 -11.681 537 HB2 PRO 77 2HB PRO 77 -0.422 -6.033 -9.400 538 HB3 PRO 77 1HB PRO 77 -0.907 -6.482 -11.057 539 HG2 PRO 77 2HG PRO 77 1.602 -6.640 -10.382 540 HG3 PRO 77 1HG PRO 77 1.139 -5.947 -11.958 541 HD2 PRO 77 2HD PRO 77 2.073 -4.550 -9.499 542 HD3 PRO 77 1HD PRO 77 2.408 -4.204 -11.214 543 H ASP 78 H ASP 78 -3.236 -4.387 -10.877 544 HA ASP 78 HA ASP 78 -4.031 -2.564 -8.931 545 HB2 ASP 78 2HB ASP 78 -5.441 -3.325 -10.799 546 HB3 ASP 78 1HB ASP 78 -5.575 -4.909 -10.045 547 H TRP 79 H TRP 79 -3.243 -5.918 -8.663 548 HA TRP 79 HA TRP 79 -4.386 -6.175 -6.054 549 HB2 TRP 79 2HB TRP 79 -3.408 -8.468 -6.086 550 HB3 TRP 79 1HB TRP 79 -4.488 -8.097 -7.427 551 HD1 TRP 79 HD TRP 79 -3.473 -8.109 -9.776 552 HE1 TRP 79 1HE TRP 79 -1.291 -9.151 -10.761 553 HE3 TRP 79 3HE TRP 79 -0.902 -8.801 -5.439 554 HZ2 TRP 79 2HZ TRP 79 1.168 -10.105 -9.787 555 HZ3 TRP 79 3HZ TRP 79 1.350 -9.774 -5.538 556 HH2 TRP 79 HH TRP 79 2.361 -10.413 -7.666 557 H LEU 80 H LEU 80 -1.555 -4.702 -7.035 558 HA LEU 80 HA LEU 80 -0.113 -5.591 -4.693 559 HB2 LEU 80 2HB LEU 80 1.068 -5.107 -6.835 560 HB3 LEU 80 1HB LEU 80 0.618 -3.404 -6.663 561 HG LEU 80 HG LEU 80 1.865 -3.379 -4.517 562 HD11 LEU 80 1HD1 LEU 80 1.815 -5.718 -4.006 563 HD12 LEU 80 2HD1 LEU 80 3.505 -5.181 -4.144 564 HD13 LEU 80 3HD1 LEU 80 2.742 -6.075 -5.468 565 HD21 LEU 80 1HD2 LEU 80 2.968 -2.491 -6.468 566 HD22 LEU 80 2HD2 LEU 80 3.450 -4.109 -6.977 567 HD23 LEU 80 3HD2 LEU 80 4.143 -3.402 -5.519 568 H ALA 81 H ALA 81 -0.979 -4.845 -2.902 569 HA ALA 81 HA ALA 81 -2.086 -2.117 -2.845 570 HB1 ALA 81 1HB ALA 81 -3.629 -3.882 -2.099 571 HB2 ALA 81 2HB ALA 81 -3.187 -2.781 -0.781 572 HB3 ALA 81 3HB ALA 81 -2.441 -4.367 -0.880 573 H ALA 82 H ALA 82 -1.695 -0.853 -1.061 574 HA ALA 82 HA ALA 82 0.480 -1.514 0.720 575 HB1 ALA 82 1HB ALA 82 1.774 0.508 0.186 576 HB2 ALA 82 2HB ALA 82 0.663 0.855 -1.147 577 HB3 ALA 82 3HB ALA 82 1.678 -0.585 -1.194 578 H GLU 83 H GLU 83 0.109 -0.672 2.694 579 HA GLU 83 HA GLU 83 -1.329 1.825 2.960 580 HB2 GLU 83 2HB GLU 83 -2.632 0.788 4.901 581 HB3 GLU 83 1HB GLU 83 -3.152 0.240 3.306 582 HG2 GLU 83 2HG GLU 83 -1.992 -1.827 3.690 583 HG3 GLU 83 1HG GLU 83 -1.357 -1.208 5.220 584 HA PRO 84 HA PRO 84 2.139 2.054 5.687 585 HB2 PRO 84 2HB PRO 84 1.731 4.299 7.071 586 HB3 PRO 84 1HB PRO 84 1.861 4.338 5.360 587 HG2 PRO 84 2HG PRO 84 -0.751 4.158 6.791 588 HG3 PRO 84 1HG PRO 84 -0.200 5.414 5.651 589 HD2 PRO 84 2HD PRO 84 -1.601 3.407 4.649 590 HD3 PRO 84 1HD PRO 84 -0.089 3.994 3.886 591 H TYR 85 H TYR 85 2.762 1.267 7.509 592 HA TYR 85 HA TYR 85 1.087 -0.624 8.596 593 HB2 TYR 85 2HB TYR 85 3.011 -1.679 9.161 594 HB3 TYR 85 1HB TYR 85 3.643 -0.433 8.205 595 HD1 TYR 85 1HD TYR 85 3.929 -2.002 11.315 596 HD2 TYR 85 2HD TYR 85 4.484 1.760 9.433 597 HE1 TYR 85 1HE TYR 85 5.507 -1.374 13.067 598 HE2 TYR 85 2HE TYR 85 6.085 2.409 11.190 599 HH TYR 85 HH TYR 85 6.545 1.785 13.548 Start of MODEL 14 1 H SER 7 1HT SER 7 1.117 -8.011 32.082 2 HA SER 7 HA SER 7 0.747 -9.963 30.775 3 HB2 SER 7 2HB SER 7 -1.766 -8.357 31.288 4 HB3 SER 7 1HB SER 7 -1.573 -10.111 31.380 5 HG SER 7 HG SER 7 -0.627 -9.943 33.262 6 H GLY 8 H GLY 8 1.254 -10.089 28.595 7 HA2 GLY 8 2HA GLY 8 -0.079 -8.463 26.655 8 HA3 GLY 8 1HA GLY 8 1.060 -9.773 26.333 9 H ARG 9 H ARG 9 -2.153 -8.850 26.270 10 HA ARG 9 HA ARG 9 -3.003 -11.664 26.140 11 HB2 ARG 9 2HB ARG 9 -4.813 -9.259 26.475 12 HB3 ARG 9 1HB ARG 9 -5.256 -10.952 26.629 13 HG2 ARG 9 2HG ARG 9 -3.743 -11.091 28.606 14 HG3 ARG 9 1HG ARG 9 -3.525 -9.346 28.491 15 HD2 ARG 9 2HD ARG 9 -6.088 -10.844 28.984 16 HD3 ARG 9 1HD ARG 9 -5.215 -9.833 30.128 17 HE ARG 9 HE ARG 9 -5.938 -8.317 27.861 18 HH11 ARG 9 1HH1 ARG 9 -7.215 -9.636 30.876 19 HH12 ARG 9 2HH1 ARG 9 -8.638 -8.699 30.831 20 HH21 ARG 9 1HH2 ARG 9 -7.938 -7.028 27.824 21 HH22 ARG 9 2HH2 ARG 9 -9.051 -7.212 29.095 22 H GLU 10 H GLU 10 -2.387 -11.987 24.042 23 HA GLU 10 HA GLU 10 -3.048 -10.041 22.041 24 HB2 GLU 10 2HB GLU 10 -0.874 -11.361 22.145 25 HB3 GLU 10 1HB GLU 10 -1.808 -12.770 21.672 26 HG2 GLU 10 2HG GLU 10 -0.739 -11.824 19.734 27 HG3 GLU 10 1HG GLU 10 -2.491 -11.618 19.637 28 H ASN 11 H ASN 11 -5.009 -9.988 21.373 29 HA ASN 11 HA ASN 11 -6.540 -12.480 20.991 30 HB2 ASN 11 2HB ASN 11 -7.259 -11.004 22.910 31 HB3 ASN 11 1HB ASN 11 -7.510 -9.709 21.763 32 HD21 ASN 11 1HD2 ASN 11 -8.930 -11.450 19.734 33 HD22 ASN 11 2HD2 ASN 11 -10.415 -11.829 20.500 34 H LEU 12 H LEU 12 -6.992 -12.725 18.842 35 HA LEU 12 HA LEU 12 -6.407 -10.705 16.971 36 HB2 LEU 12 2HB LEU 12 -7.410 -12.082 15.257 37 HB3 LEU 12 1HB LEU 12 -6.467 -13.096 16.310 38 HG LEU 12 HG LEU 12 -9.465 -12.872 16.354 39 HD11 LEU 12 1HD1 LEU 12 -9.416 -15.088 15.270 40 HD12 LEU 12 2HD1 LEU 12 -7.662 -14.972 15.140 41 HD13 LEU 12 3HD1 LEU 12 -8.690 -13.839 14.261 42 HD21 LEU 12 1HD2 LEU 12 -9.379 -14.962 17.659 43 HD22 LEU 12 2HD2 LEU 12 -8.591 -13.628 18.494 44 HD23 LEU 12 3HD2 LEU 12 -7.618 -14.862 17.689 45 H TYR 13 H TYR 13 -7.429 -8.938 16.618 46 HA TYR 13 HA TYR 13 -10.271 -8.742 17.334 47 HB2 TYR 13 2HB TYR 13 -8.157 -7.837 18.899 48 HB3 TYR 13 1HB TYR 13 -8.649 -6.406 18.013 49 HD1 TYR 13 1HD TYR 13 -10.180 -9.199 19.955 50 HD2 TYR 13 2HD TYR 13 -10.241 -5.052 19.027 51 HE1 TYR 13 1HE TYR 13 -11.927 -8.855 21.646 52 HE2 TYR 13 2HE TYR 13 -11.996 -4.695 20.712 53 HH TYR 13 HH TYR 13 -12.814 -7.116 23.003 54 H PHE 14 H PHE 14 -10.971 -8.454 15.283 55 HA PHE 14 HA PHE 14 -9.533 -6.698 13.520 56 HB2 PHE 14 2HB PHE 14 -11.959 -8.420 13.088 57 HB3 PHE 14 1HB PHE 14 -11.384 -7.282 11.873 58 HD1 PHE 14 1HD PHE 14 -9.448 -7.716 10.585 59 HD2 PHE 14 2HD PHE 14 -10.540 -10.347 13.747 60 HE1 PHE 14 1HE PHE 14 -7.815 -9.363 9.770 61 HE2 PHE 14 2HE PHE 14 -8.906 -12.000 12.936 62 HZ PHE 14 HZ PHE 14 -7.546 -11.506 10.949 63 H GLN 15 H GLN 15 -9.674 -4.700 13.860 64 HA GLN 15 HA GLN 15 -12.291 -3.445 14.280 65 HB2 GLN 15 2HB GLN 15 -9.619 -2.693 15.481 66 HB3 GLN 15 1HB GLN 15 -11.061 -1.711 15.583 67 HG2 GLN 15 2HG GLN 15 -10.788 -4.472 16.752 68 HG3 GLN 15 1HG GLN 15 -10.504 -2.961 17.612 69 HE21 GLN 15 1HE2 GLN 15 -12.057 -3.378 19.081 70 HE22 GLN 15 2HE2 GLN 15 -13.749 -3.322 18.778 71 H GLY 16 H GLY 16 -12.350 -1.316 13.448 72 HA2 GLY 16 2HA GLY 16 -10.655 -0.970 11.105 73 HA3 GLY 16 1HA GLY 16 -12.111 -0.037 11.475 74 H HIS 17 H HIS 17 -8.757 -0.424 12.055 75 HA HIS 17 HA HIS 17 -8.753 2.036 13.652 76 HB2 HIS 17 2HB HIS 17 -7.985 -0.163 14.744 77 HB3 HIS 17 1HB HIS 17 -6.624 -0.117 13.637 78 HD1 HIS 17 1HD HIS 17 -7.340 0.642 17.014 79 HD2 HIS 17 2HD HIS 17 -5.283 2.625 13.991 80 HE1 HIS 17 1HE HIS 17 -5.813 2.254 18.158 81 H MET 18 H MET 18 -7.998 3.663 12.531 82 HA MET 18 HA MET 18 -7.133 3.590 9.901 83 HB2 MET 18 2HB MET 18 -8.104 5.572 10.816 84 HB3 MET 18 1HB MET 18 -6.821 5.727 12.005 85 HG2 MET 18 2HG MET 18 -6.547 7.339 10.201 86 HG3 MET 18 1HG MET 18 -5.216 6.187 10.231 87 HE1 MET 18 1HE MET 18 -5.713 8.056 7.782 88 HE2 MET 18 2HE MET 18 -5.537 6.937 6.431 89 HE3 MET 18 3HE MET 18 -4.442 6.831 7.810 90 H ALA 19 H ALA 19 -5.353 2.737 9.132 91 HA ALA 19 HA ALA 19 -2.904 2.480 10.546 92 HB1 ALA 19 1HB ALA 19 -3.524 0.937 8.734 93 HB2 ALA 19 2HB ALA 19 -2.004 1.750 8.366 94 HB3 ALA 19 3HB ALA 19 -3.496 2.269 7.581 95 H ALA 20 H ALA 20 -1.458 3.973 10.834 96 HA ALA 20 HA ALA 20 -1.941 6.616 9.735 97 HB1 ALA 20 1HB ALA 20 -0.095 5.655 11.910 98 HB2 ALA 20 2HB ALA 20 -1.700 6.350 12.142 99 HB3 ALA 20 3HB ALA 20 -0.390 7.340 11.485 100 HA PRO 21 HA PRO 21 1.650 6.544 6.973 101 HB2 PRO 21 2HB PRO 21 1.965 9.358 7.898 102 HB3 PRO 21 1HB PRO 21 1.833 8.748 6.240 103 HG2 PRO 21 2HG PRO 21 -0.187 10.030 7.337 104 HG3 PRO 21 1HG PRO 21 -0.437 8.617 6.283 105 HD2 PRO 21 2HD PRO 21 -0.675 8.801 9.241 106 HD3 PRO 21 1HD PRO 21 -1.614 7.857 8.072 107 H ALA 22 H ALA 22 2.935 5.292 8.114 108 HA ALA 22 HA ALA 22 4.175 6.155 10.614 109 HB1 ALA 22 1HB ALA 22 4.047 3.489 9.262 110 HB2 ALA 22 2HB ALA 22 2.913 4.066 10.472 111 HB3 ALA 22 3HB ALA 22 4.610 3.778 10.908 112 H ARG 23 H ARG 23 5.121 6.928 7.963 113 HA ARG 23 HA ARG 23 7.014 7.116 6.692 114 HB2 ARG 23 2HB ARG 23 8.423 6.352 9.261 115 HB3 ARG 23 1HB ARG 23 9.195 7.088 7.866 116 HG2 ARG 23 2HG ARG 23 7.813 9.091 8.161 117 HG3 ARG 23 1HG ARG 23 7.046 8.344 9.559 118 HD2 ARG 23 2HD ARG 23 8.715 9.836 10.377 119 HD3 ARG 23 1HD ARG 23 9.311 8.194 10.607 120 HE ARG 23 HE ARG 23 10.150 9.330 8.142 121 HH11 ARG 23 1HH1 ARG 23 11.009 9.028 11.562 122 HH12 ARG 23 2HH1 ARG 23 12.599 9.583 11.361 123 HH21 ARG 23 1HH2 ARG 23 12.320 10.095 7.848 124 HH22 ARG 23 2HH2 ARG 23 13.376 10.202 9.173 125 H SER 24 H SER 24 5.613 4.633 6.763 126 HA SER 24 HA SER 24 7.530 2.951 5.433 127 HB2 SER 24 2HB SER 24 6.012 2.083 7.893 128 HB3 SER 24 1HB SER 24 6.794 0.963 6.766 129 HG SER 24 HG SER 24 8.175 3.082 8.071 130 H CYS 25 H CYS 25 6.544 1.936 3.710 131 HA CYS 25 HA CYS 25 3.629 1.918 3.629 132 HB2 CYS 25 2HB CYS 25 5.735 1.983 1.449 133 HB3 CYS 25 1HB CYS 25 4.046 1.557 1.135 134 H VAL 26 H VAL 26 2.717 -0.012 3.505 135 HA VAL 26 HA VAL 26 4.523 -2.304 3.740 136 HB VAL 26 HB VAL 26 1.721 -1.985 4.873 137 HG11 VAL 26 1HG1 VAL 26 2.647 -4.274 4.846 138 HG12 VAL 26 2HG1 VAL 26 2.434 -3.595 6.474 139 HG13 VAL 26 3HG1 VAL 26 4.037 -3.657 5.760 140 HG21 VAL 26 1HG2 VAL 26 2.601 -1.248 6.859 141 HG22 VAL 26 2HG2 VAL 26 3.026 -0.166 5.531 142 HG23 VAL 26 3HG2 VAL 26 4.258 -1.254 6.204 143 H TYR 27 H TYR 27 4.289 -3.765 2.199 144 HA TYR 27 HA TYR 27 2.191 -3.279 0.260 145 HB2 TYR 27 2HB TYR 27 4.855 -4.671 0.020 146 HB3 TYR 27 1HB TYR 27 3.643 -4.686 -1.258 147 HD1 TYR 27 1HD TYR 27 5.262 -2.152 0.975 148 HD2 TYR 27 2HD TYR 27 3.955 -3.129 -2.942 149 HE1 TYR 27 1HE TYR 27 6.102 -0.004 0.192 150 HE2 TYR 27 2HE TYR 27 4.806 -0.954 -3.750 151 HH TYR 27 HH TYR 27 6.844 1.025 -1.963 152 H TYR 28 H TYR 28 0.700 -4.616 -0.203 153 HA TYR 28 HA TYR 28 0.645 -7.247 1.063 154 HB2 TYR 28 2HB TYR 28 -1.545 -5.183 0.835 155 HB3 TYR 28 1HB TYR 28 -1.796 -6.875 1.245 156 HD1 TYR 28 1HD TYR 28 -0.363 -3.654 2.446 157 HD2 TYR 28 2HD TYR 28 -1.407 -7.660 3.445 158 HE1 TYR 28 1HE TYR 28 -0.072 -3.148 4.819 159 HE2 TYR 28 2HE TYR 28 -1.112 -7.152 5.814 160 HH TYR 28 HH TYR 28 -0.744 -3.951 6.978 161 H ASP 29 H ASP 29 -0.228 -8.792 -0.193 162 HA ASP 29 HA ASP 29 -0.940 -8.152 -2.976 163 HB2 ASP 29 2HB ASP 29 0.452 -10.186 -2.482 164 HB3 ASP 29 1HB ASP 29 -0.871 -10.787 -1.481 165 H GLY 30 H GLY 30 -2.959 -7.255 -2.958 166 HA2 GLY 30 2HA GLY 30 -5.069 -8.926 -1.934 167 HA3 GLY 30 1HA GLY 30 -4.974 -7.406 -1.119 168 H HIS 31 H HIS 31 -6.529 -8.901 -3.109 169 HA HIS 31 HA HIS 31 -6.897 -6.842 -5.139 170 HB2 HIS 31 2HB HIS 31 -8.583 -8.452 -6.167 171 HB3 HIS 31 1HB HIS 31 -6.906 -9.004 -6.130 172 HD1 HIS 31 1HD HIS 31 -6.405 -11.028 -4.375 173 HD2 HIS 31 2HD HIS 31 -10.400 -10.011 -4.933 174 HE1 HIS 31 1HE HIS 31 -7.741 -12.913 -3.434 175 H LEU 32 H LEU 32 -8.161 -7.946 -2.246 176 HA LEU 32 HA LEU 32 -10.027 -5.716 -2.139 177 HB2 LEU 32 2HB LEU 32 -10.361 -8.539 -1.102 178 HB3 LEU 32 1HB LEU 32 -11.097 -7.200 -0.264 179 HG LEU 32 HG LEU 32 -12.423 -6.736 -2.300 180 HD11 LEU 32 1HD1 LEU 32 -12.654 -8.441 -4.016 181 HD12 LEU 32 2HD1 LEU 32 -11.383 -9.388 -3.244 182 HD13 LEU 32 3HD1 LEU 32 -10.998 -7.825 -3.969 183 HD21 LEU 32 1HD2 LEU 32 -13.946 -8.663 -1.973 184 HD22 LEU 32 2HD2 LEU 32 -13.394 -7.924 -0.472 185 HD23 LEU 32 3HD2 LEU 32 -12.682 -9.442 -1.021 186 HA PRO 33 HA PRO 33 -7.265 -4.951 1.324 187 HB2 PRO 33 2HB PRO 33 -8.974 -3.640 3.038 188 HB3 PRO 33 1HB PRO 33 -8.196 -2.854 1.648 189 HG2 PRO 33 2HG PRO 33 -10.963 -3.889 1.892 190 HG3 PRO 33 1HG PRO 33 -10.350 -2.440 1.066 191 HD2 PRO 33 2HD PRO 33 -11.029 -4.686 -0.269 192 HD3 PRO 33 1HD PRO 33 -9.733 -3.589 -0.812 193 H ALA 34 H ALA 34 -10.016 -6.824 1.403 194 HA ALA 34 HA ALA 34 -9.710 -7.790 4.131 195 HB1 ALA 34 1HB ALA 34 -11.606 -9.245 3.615 196 HB2 ALA 34 2HB ALA 34 -11.538 -8.751 1.925 197 HB3 ALA 34 3HB ALA 34 -11.965 -7.576 3.170 198 H THR 35 H THR 35 -8.629 -8.619 0.902 199 HA THR 35 HA THR 35 -7.806 -11.266 1.813 200 HB THR 35 HB THR 35 -7.489 -11.657 -0.697 201 HG1 THR 35 1HG THR 35 -8.886 -10.308 -1.964 202 HG21 THR 35 1HG2 THR 35 -9.348 -12.630 0.526 203 HG22 THR 35 2HG2 THR 35 -9.879 -12.103 -1.071 204 HG23 THR 35 3HG2 THR 35 -10.272 -11.139 0.351 205 H ARG 36 H ARG 36 -6.559 -8.617 2.247 206 HA ARG 36 HA ARG 36 -4.178 -8.402 0.730 207 HB2 ARG 36 2HB ARG 36 -3.465 -6.781 2.459 208 HB3 ARG 36 1HB ARG 36 -5.098 -6.465 1.894 209 HG2 ARG 36 2HG ARG 36 -6.014 -7.464 3.898 210 HG3 ARG 36 1HG ARG 36 -4.401 -7.899 4.444 211 HD2 ARG 36 2HD ARG 36 -3.828 -5.499 4.579 212 HD3 ARG 36 1HD ARG 36 -5.470 -5.095 4.062 213 HE ARG 36 HE ARG 36 -5.886 -6.716 6.142 214 HH11 ARG 36 1HH1 ARG 36 -4.086 -3.631 5.852 215 HH12 ARG 36 2HH1 ARG 36 -4.197 -3.303 7.499 216 HH21 ARG 36 1HH2 ARG 36 -6.005 -6.231 8.356 217 HH22 ARG 36 2HH2 ARG 36 -5.304 -4.826 9.006 218 H VAL 37 H VAL 37 -2.385 -9.533 0.847 219 HA VAL 37 HA VAL 37 -1.808 -11.158 3.249 220 HB VAL 37 HB VAL 37 -0.678 -11.459 0.451 221 HG11 VAL 37 1HG1 VAL 37 0.794 -12.328 2.155 222 HG12 VAL 37 2HG1 VAL 37 0.096 -13.653 1.218 223 HG13 VAL 37 3HG1 VAL 37 -0.522 -13.286 2.831 224 HG21 VAL 37 1HG2 VAL 37 -2.867 -13.063 1.767 225 HG22 VAL 37 2HG2 VAL 37 -2.114 -13.440 0.218 226 HG23 VAL 37 3HG2 VAL 37 -3.058 -11.961 0.404 227 H LEU 38 H LEU 38 0.004 -10.633 4.393 228 HA LEU 38 HA LEU 38 1.353 -8.193 3.873 229 HB2 LEU 38 2HB LEU 38 0.857 -9.222 6.125 230 HB3 LEU 38 1HB LEU 38 2.087 -10.410 5.798 231 HG LEU 38 HG LEU 38 2.781 -8.683 7.402 232 HD11 LEU 38 1HD1 LEU 38 4.385 -8.607 4.863 233 HD12 LEU 38 2HD1 LEU 38 4.550 -9.764 6.186 234 HD13 LEU 38 3HD1 LEU 38 4.941 -8.066 6.446 235 HD21 LEU 38 1HD2 LEU 38 1.525 -6.817 6.558 236 HD22 LEU 38 2HD2 LEU 38 2.528 -6.768 5.107 237 HD23 LEU 38 3HD2 LEU 38 3.233 -6.410 6.683 238 H LEU 39 H LEU 39 2.762 -7.991 2.251 239 HA LEU 39 HA LEU 39 4.379 -10.265 1.437 240 HB2 LEU 39 2HB LEU 39 4.124 -7.504 0.262 241 HB3 LEU 39 1HB LEU 39 5.049 -8.819 -0.435 242 HG LEU 39 HG LEU 39 2.054 -8.806 -0.058 243 HD11 LEU 39 1HD1 LEU 39 1.987 -8.657 -2.498 244 HD12 LEU 39 2HD1 LEU 39 3.742 -8.472 -2.526 245 HD13 LEU 39 3HD1 LEU 39 2.731 -7.242 -1.763 246 HD21 LEU 39 1HD2 LEU 39 2.968 -11.019 0.101 247 HD22 LEU 39 2HD2 LEU 39 3.910 -10.771 -1.369 248 HD23 LEU 39 3HD2 LEU 39 2.142 -10.834 -1.450 249 H MET 40 H MET 40 5.017 -6.809 2.151 250 HA MET 40 HA MET 40 7.364 -7.377 3.686 251 HB2 MET 40 2HB MET 40 8.026 -7.713 1.273 252 HB3 MET 40 1HB MET 40 7.628 -6.013 1.008 253 HG2 MET 40 2HG MET 40 9.280 -5.356 2.647 254 HG3 MET 40 1HG MET 40 9.523 -7.085 2.954 255 HE1 MET 40 1HE MET 40 11.320 -8.268 -0.325 256 HE2 MET 40 2HE MET 40 9.592 -8.323 0.004 257 HE3 MET 40 3HE MET 40 10.744 -8.720 1.280 258 H TYR 41 H TYR 41 8.112 -5.531 4.711 259 HA TYR 41 HA TYR 41 6.431 -3.131 4.598 260 HB2 TYR 41 2HB TYR 41 8.631 -3.989 6.512 261 HB3 TYR 41 1HB TYR 41 7.767 -2.470 6.617 262 HD1 TYR 41 1HD TYR 41 5.620 -2.362 7.648 263 HD2 TYR 41 2HD TYR 41 7.473 -6.122 6.989 264 HE1 TYR 41 1HE TYR 41 3.952 -3.430 9.103 265 HE2 TYR 41 2HE TYR 41 5.807 -7.209 8.442 266 HH TYR 41 HH TYR 41 4.283 -6.610 10.246 267 H VAL 42 H VAL 42 7.203 -1.317 3.595 268 HA VAL 42 HA VAL 42 10.064 -1.240 2.927 269 HB VAL 42 HB VAL 42 7.866 0.027 1.322 270 HG11 VAL 42 1HG1 VAL 42 9.612 0.232 -0.396 271 HG12 VAL 42 2HG1 VAL 42 10.776 -0.485 0.713 272 HG13 VAL 42 3HG1 VAL 42 10.050 1.075 1.089 273 HG21 VAL 42 1HG2 VAL 42 7.587 -2.349 1.276 274 HG22 VAL 42 2HG2 VAL 42 9.289 -2.574 0.853 275 HG23 VAL 42 3HG2 VAL 42 8.178 -1.775 -0.286 276 H ARG 43 H ARG 43 10.900 0.270 4.301 277 HA ARG 43 HA ARG 43 9.418 2.305 5.527 278 HB2 ARG 43 2HB ARG 43 11.511 1.113 6.307 279 HB3 ARG 43 1HB ARG 43 12.397 2.052 5.131 280 HG2 ARG 43 2HG ARG 43 10.835 3.289 7.378 281 HG3 ARG 43 1HG ARG 43 12.508 2.786 7.531 282 HD2 ARG 43 2HD ARG 43 13.043 4.295 5.625 283 HD3 ARG 43 1HD ARG 43 11.376 4.874 5.707 284 HE ARG 43 HE ARG 43 12.399 5.044 8.247 285 HH11 ARG 43 1HH1 ARG 43 12.995 6.592 5.121 286 HH12 ARG 43 2HH1 ARG 43 13.810 7.933 5.803 287 HH21 ARG 43 1HH2 ARG 43 13.521 6.892 9.150 288 HH22 ARG 43 2HH2 ARG 43 14.102 8.112 8.109 289 H ILE 44 H ILE 44 9.232 4.369 4.969 290 HA ILE 44 HA ILE 44 9.250 5.101 2.209 291 HB ILE 44 HB ILE 44 9.387 7.149 4.398 292 HG12 ILE 44 2HG1 ILE 44 7.718 5.457 4.786 293 HG13 ILE 44 1HG1 ILE 44 7.039 7.075 4.699 294 HG21 ILE 44 1HG2 ILE 44 8.059 8.535 2.801 295 HG22 ILE 44 2HG2 ILE 44 8.148 7.224 1.631 296 HG23 ILE 44 3HG2 ILE 44 9.616 8.055 2.124 297 HD11 ILE 44 1HD1 ILE 44 6.832 4.782 2.741 298 HD12 ILE 44 2HD1 ILE 44 6.186 6.409 2.425 299 HD13 ILE 44 3HD1 ILE 44 5.576 5.456 3.762 300 H GLY 45 H GLY 45 10.769 5.626 0.971 301 HA2 GLY 45 2HA GLY 45 12.595 7.073 0.306 302 HA3 GLY 45 1HA GLY 45 13.196 6.994 1.961 303 H ASN 46 H ASN 46 12.253 4.042 1.589 304 HA ASN 46 HA ASN 46 14.861 3.091 0.644 305 HB2 ASN 46 2HB ASN 46 14.373 2.607 2.918 306 HB3 ASN 46 1HB ASN 46 12.814 1.915 2.413 307 HD21 ASN 46 1HD2 ASN 46 13.415 -0.095 3.533 308 HD22 ASN 46 2HD2 ASN 46 14.578 -1.152 2.854 309 H THR 47 H THR 47 14.860 1.180 -0.473 310 HA THR 47 HA THR 47 12.603 0.900 -2.352 311 HB THR 47 HB THR 47 14.206 -0.275 -3.733 312 HG1 THR 47 1HG THR 47 15.692 -0.480 -1.781 313 HG21 THR 47 1HG2 THR 47 13.710 2.060 -4.230 314 HG22 THR 47 2HG2 THR 47 15.411 1.753 -4.571 315 HG23 THR 47 3HG2 THR 47 14.946 2.595 -3.091 316 H ALA 48 H ALA 48 11.980 -1.130 -2.914 317 HA ALA 48 HA ALA 48 13.202 -3.401 -1.523 318 HB1 ALA 48 1HB ALA 48 11.513 -2.630 0.061 319 HB2 ALA 48 2HB ALA 48 11.131 -4.234 -0.564 320 HB3 ALA 48 3HB ALA 48 10.274 -2.820 -1.176 321 H THR 49 H THR 49 12.902 -5.368 -2.455 322 HA THR 49 HA THR 49 11.568 -5.383 -5.061 323 HB THR 49 HB THR 49 13.557 -7.365 -3.905 324 HG1 THR 49 1HG THR 49 13.900 -4.921 -4.801 325 HG21 THR 49 1HG2 THR 49 13.734 -8.146 -6.231 326 HG22 THR 49 2HG2 THR 49 12.545 -6.946 -6.732 327 HG23 THR 49 3HG2 THR 49 12.065 -8.268 -5.668 328 H ILE 50 H ILE 50 9.554 -6.025 -4.849 329 HA ILE 50 HA ILE 50 8.777 -7.818 -2.659 330 HB ILE 50 HB ILE 50 6.992 -6.592 -4.746 331 HG12 ILE 50 2HG1 ILE 50 8.278 -4.742 -3.814 332 HG13 ILE 50 1HG1 ILE 50 6.585 -4.673 -3.306 333 HG21 ILE 50 1HG2 ILE 50 5.999 -8.294 -3.367 334 HG22 ILE 50 2HG2 ILE 50 5.294 -6.721 -2.984 335 HG23 ILE 50 3HG2 ILE 50 6.492 -7.438 -1.905 336 HD11 ILE 50 1HD1 ILE 50 7.248 -5.592 -1.145 337 HD12 ILE 50 2HD1 ILE 50 8.114 -4.080 -1.513 338 HD13 ILE 50 3HD1 ILE 50 8.926 -5.644 -1.699 339 H THR 51 H THR 51 9.121 -9.937 -3.291 340 HA THR 51 HA THR 51 8.154 -10.626 -5.936 341 HB THR 51 HB THR 51 9.373 -12.363 -3.753 342 HG1 THR 51 1HG THR 51 10.324 -11.959 -6.373 343 HG21 THR 51 1HG2 THR 51 9.343 -14.211 -5.368 344 HG22 THR 51 2HG2 THR 51 8.475 -13.199 -6.522 345 HG23 THR 51 3HG2 THR 51 7.700 -13.674 -5.009 346 H ALA 52 H ALA 52 6.149 -11.071 -6.282 347 HA ALA 52 HA ALA 52 4.523 -12.335 -4.224 348 HB1 ALA 52 1HB ALA 52 3.743 -9.818 -5.717 349 HB2 ALA 52 2HB ALA 52 4.065 -9.945 -3.988 350 HB3 ALA 52 3HB ALA 52 2.674 -10.770 -4.687 351 H ARG 53 H ARG 53 3.624 -14.011 -5.142 352 HA ARG 53 HA ARG 53 2.735 -15.460 -6.606 353 HB2 ARG 53 2HB ARG 53 2.276 -13.054 -8.398 354 HB3 ARG 53 1HB ARG 53 1.497 -14.635 -8.569 355 HG2 ARG 53 2HG ARG 53 0.346 -14.312 -6.468 356 HG3 ARG 53 1HG ARG 53 1.191 -12.775 -6.217 357 HD2 ARG 53 2HD ARG 53 0.129 -11.932 -8.295 358 HD3 ARG 53 1HD ARG 53 -0.791 -13.430 -8.394 359 HE ARG 53 HE ARG 53 -1.004 -11.983 -5.901 360 HH11 ARG 53 1HH1 ARG 53 -2.455 -12.494 -9.100 361 HH12 ARG 53 2HH1 ARG 53 -3.967 -11.848 -8.647 362 HH21 ARG 53 1HH2 ARG 53 -3.031 -11.124 -5.320 363 HH22 ARG 53 2HH2 ARG 53 -4.314 -11.059 -6.473 364 H GLY 54 H GLY 54 5.454 -14.541 -6.655 365 HA2 GLY 54 2HA GLY 54 7.363 -15.477 -7.676 366 HA3 GLY 54 1HA GLY 54 6.330 -16.019 -9.003 367 H HIS 55 H HIS 55 5.737 -12.765 -8.393 368 HA HIS 55 HA HIS 55 7.612 -11.975 -10.518 369 HB2 HIS 55 2HB HIS 55 4.911 -10.810 -9.785 370 HB3 HIS 55 1HB HIS 55 6.004 -10.123 -10.991 371 HD1 HIS 55 1HD HIS 55 5.681 -10.988 -13.366 372 HD2 HIS 55 2HD HIS 55 3.916 -13.433 -10.505 373 HE1 HIS 55 1HE HIS 55 4.374 -12.720 -14.635 374 H GLU 56 H GLU 56 9.040 -10.358 -10.084 375 HA GLU 56 HA GLU 56 9.132 -9.269 -7.415 376 HB2 GLU 56 2HB GLU 56 11.040 -9.137 -9.746 377 HB3 GLU 56 1HB GLU 56 11.306 -8.312 -8.228 378 HG2 GLU 56 2HG GLU 56 12.606 -10.316 -8.232 379 HG3 GLU 56 1HG GLU 56 11.242 -10.470 -7.114 380 H PHE 57 H PHE 57 8.499 -7.270 -6.934 381 HA PHE 57 HA PHE 57 8.349 -5.288 -9.089 382 HB2 PHE 57 2HB PHE 57 6.823 -5.506 -6.481 383 HB3 PHE 57 1HB PHE 57 6.594 -4.258 -7.704 384 HD1 PHE 57 1HD PHE 57 5.596 -4.907 -9.910 385 HD2 PHE 57 2HD PHE 57 5.759 -7.570 -6.597 386 HE1 PHE 57 1HE PHE 57 3.867 -6.315 -10.951 387 HE2 PHE 57 2HE PHE 57 4.047 -8.973 -7.630 388 HZ PHE 57 HZ PHE 57 3.091 -8.351 -9.798 389 H GLU 58 H GLU 58 10.318 -4.245 -8.846 390 HA GLU 58 HA GLU 58 11.123 -3.772 -6.103 391 HB2 GLU 58 2HB GLU 58 12.905 -4.459 -7.775 392 HB3 GLU 58 1HB GLU 58 12.614 -2.916 -8.598 393 HG2 GLU 58 2HG GLU 58 13.124 -1.747 -6.494 394 HG3 GLU 58 1HG GLU 58 13.529 -3.328 -5.838 395 H VAL 59 H VAL 59 10.438 -2.156 -5.159 396 HA VAL 59 HA VAL 59 9.444 0.223 -6.638 397 HB VAL 59 HB VAL 59 7.850 0.483 -4.755 398 HG11 VAL 59 1HG1 VAL 59 6.977 -0.611 -6.672 399 HG12 VAL 59 2HG1 VAL 59 6.398 -1.482 -5.233 400 HG13 VAL 59 3HG1 VAL 59 7.726 -2.140 -6.196 401 HG21 VAL 59 1HG2 VAL 59 7.504 -1.346 -3.225 402 HG22 VAL 59 2HG2 VAL 59 9.162 -0.668 -3.126 403 HG23 VAL 59 3HG2 VAL 59 8.872 -2.198 -3.978 404 H GLU 60 H GLU 60 9.346 2.058 -5.339 405 HA GLU 60 HA GLU 60 11.257 2.109 -3.128 406 HB2 GLU 60 2HB GLU 60 12.216 3.231 -5.205 407 HB3 GLU 60 1HB GLU 60 10.855 4.359 -5.122 408 HG2 GLU 60 2HG GLU 60 11.595 5.140 -2.953 409 HG3 GLU 60 1HG GLU 60 12.912 3.971 -2.959 410 H ALA 61 H ALA 61 10.288 2.794 -1.385 411 HA ALA 61 HA ALA 61 7.539 3.708 -1.559 412 HB1 ALA 61 1HB ALA 61 8.196 2.331 0.351 413 HB2 ALA 61 2HB ALA 61 7.628 3.905 0.908 414 HB3 ALA 61 3HB ALA 61 9.360 3.555 0.849 415 H LYS 62 H LYS 62 7.519 5.492 -2.643 416 HA LYS 62 HA LYS 62 9.355 7.653 -2.463 417 HB2 LYS 62 2HB LYS 62 6.591 7.660 -3.641 418 HB3 LYS 62 1HB LYS 62 7.894 8.766 -4.019 419 HG2 LYS 62 2HG LYS 62 7.835 5.821 -4.626 420 HG3 LYS 62 1HG LYS 62 7.492 7.138 -5.755 421 HD2 LYS 62 2HD LYS 62 10.133 6.593 -4.362 422 HD3 LYS 62 1HD LYS 62 9.772 6.213 -6.043 423 HE2 LYS 62 2HE LYS 62 9.458 8.608 -6.498 424 HE3 LYS 62 1HE LYS 62 9.838 8.965 -4.813 425 HZ1 LYS 62 1HZ LYS 62 11.795 9.300 -6.110 426 HZ2 LYS 62 2HZ LYS 62 11.658 7.778 -6.828 427 HZ3 LYS 62 3HZ LYS 62 12.030 7.887 -5.201 428 H ASP 63 H ASP 63 5.944 7.343 -1.557 429 HA ASP 63 HA ASP 63 6.151 9.728 0.149 430 HB2 ASP 63 2HB ASP 63 5.164 10.231 -2.101 431 HB3 ASP 63 1HB ASP 63 3.936 9.012 -1.799 432 H GLN 64 H GLN 64 4.321 9.701 1.792 433 HA GLN 64 HA GLN 64 4.057 6.976 2.737 434 HB2 GLN 64 2HB GLN 64 2.981 9.409 4.142 435 HB3 GLN 64 1HB GLN 64 3.343 7.835 4.824 436 HG2 GLN 64 2HG GLN 64 5.762 8.293 4.115 437 HG3 GLN 64 1HG GLN 64 5.242 9.948 3.925 438 HE21 GLN 64 1HE2 GLN 64 6.569 10.709 5.534 439 HE22 GLN 64 2HE2 GLN 64 6.263 10.445 7.212 440 H ASN 65 H ASN 65 2.333 8.745 0.657 441 HA ASN 65 HA ASN 65 -0.299 7.908 1.435 442 HB2 ASN 65 2HB ASN 65 0.821 9.125 -1.070 443 HB3 ASN 65 1HB ASN 65 -0.802 8.416 -1.085 444 HD21 ASN 65 1HD2 ASN 65 1.212 10.929 0.265 445 HD22 ASN 65 2HD2 ASN 65 -0.062 11.922 0.886 446 H CYS 66 H CYS 66 2.359 6.457 0.109 447 HA CYS 66 HA CYS 66 2.876 4.411 -0.477 448 HB2 CYS 66 2HB CYS 66 0.380 3.792 1.063 449 HB3 CYS 66 1HB CYS 66 1.584 2.594 0.536 450 H LYS 67 H LYS 67 1.592 5.731 -2.606 451 HA LYS 67 HA LYS 67 0.219 3.656 -3.976 452 HB2 LYS 67 2HB LYS 67 1.316 6.255 -4.584 453 HB3 LYS 67 1HB LYS 67 1.176 5.175 -6.010 454 HG2 LYS 67 2HG LYS 67 -0.645 6.688 -5.807 455 HG3 LYS 67 1HG LYS 67 -1.234 5.087 -5.367 456 HD2 LYS 67 2HD LYS 67 -1.066 5.504 -3.106 457 HD3 LYS 67 1HD LYS 67 -0.196 7.003 -3.317 458 HE2 LYS 67 2HE LYS 67 -2.487 7.570 -2.802 459 HE3 LYS 67 1HE LYS 67 -1.937 7.951 -4.451 460 HZ1 LYS 67 1HZ LYS 67 -3.688 5.643 -3.702 461 HZ2 LYS 67 2HZ LYS 67 -3.202 6.006 -5.265 462 HZ3 LYS 67 3HZ LYS 67 -4.237 7.044 -4.446 463 H VAL 68 H VAL 68 1.100 2.579 -5.696 464 HA VAL 68 HA VAL 68 3.788 1.743 -4.997 465 HB VAL 68 HB VAL 68 2.370 -0.155 -5.029 466 HG11 VAL 68 1HG1 VAL 68 1.132 -0.929 -6.985 467 HG12 VAL 68 2HG1 VAL 68 1.641 0.502 -7.880 468 HG13 VAL 68 3HG1 VAL 68 0.582 0.669 -6.480 469 HG21 VAL 68 1HG2 VAL 68 3.522 -1.607 -6.623 470 HG22 VAL 68 2HG2 VAL 68 4.659 -0.466 -5.895 471 HG23 VAL 68 3HG2 VAL 68 4.056 -0.197 -7.520 472 H ILE 69 H ILE 69 5.283 2.855 -5.819 473 HA ILE 69 HA ILE 69 5.260 3.262 -8.722 474 HB ILE 69 HB ILE 69 6.787 4.851 -6.630 475 HG12 ILE 69 2HG1 ILE 69 5.562 6.794 -7.815 476 HG13 ILE 69 1HG1 ILE 69 4.487 5.562 -8.427 477 HG21 ILE 69 1HG2 ILE 69 8.181 4.536 -8.581 478 HG22 ILE 69 2HG2 ILE 69 7.641 6.213 -8.484 479 HG23 ILE 69 3HG2 ILE 69 6.883 5.111 -9.629 480 HD11 ILE 69 1HD1 ILE 69 3.881 4.951 -6.138 481 HD12 ILE 69 2HD1 ILE 69 3.540 6.644 -6.485 482 HD13 ILE 69 3HD1 ILE 69 4.950 6.211 -5.524 483 H LEU 70 H LEU 70 6.568 1.865 -9.717 484 HA LEU 70 HA LEU 70 8.405 0.276 -8.236 485 HB2 LEU 70 2HB LEU 70 7.870 0.518 -11.188 486 HB3 LEU 70 1HB LEU 70 9.075 -0.548 -10.518 487 HG LEU 70 HG LEU 70 7.105 -1.803 -11.117 488 HD11 LEU 70 1HD1 LEU 70 7.428 -1.651 -8.198 489 HD12 LEU 70 2HD1 LEU 70 8.298 -2.677 -9.335 490 HD13 LEU 70 3HD1 LEU 70 6.559 -2.887 -9.095 491 HD21 LEU 70 1HD2 LEU 70 4.989 -1.460 -10.341 492 HD22 LEU 70 2HD2 LEU 70 5.540 0.139 -10.845 493 HD23 LEU 70 3HD2 LEU 70 5.509 -0.288 -9.130 494 H THR 71 H THR 71 10.557 0.127 -8.838 495 HA THR 71 HA THR 71 11.903 2.636 -8.771 496 HB THR 71 HB THR 71 14.043 1.380 -9.007 497 HG1 THR 71 1HG THR 71 13.857 -0.917 -9.018 498 HG21 THR 71 1HG2 THR 71 12.885 1.728 -6.893 499 HG22 THR 71 2HG2 THR 71 13.744 0.164 -6.929 500 HG23 THR 71 3HG2 THR 71 11.989 0.235 -7.173 501 H ASN 72 H ASN 72 10.966 0.662 -11.373 502 HA ASN 72 HA ASN 72 12.590 2.079 -13.281 503 HB2 ASN 72 2HB ASN 72 11.341 0.701 -14.984 504 HB3 ASN 72 1HB ASN 72 12.297 -0.198 -13.796 505 HD21 ASN 72 1HD2 ASN 72 11.171 -2.068 -14.087 506 HD22 ASN 72 2HD2 ASN 72 9.572 -2.323 -13.533 507 H GLY 73 H GLY 73 9.766 2.701 -11.658 508 HA2 GLY 73 2HA GLY 73 8.897 4.861 -11.802 509 HA3 GLY 73 1HA GLY 73 9.258 4.881 -13.535 510 H LYS 74 H LYS 74 7.993 1.904 -13.133 511 HA LYS 74 HA LYS 74 5.508 2.762 -14.195 512 HB2 LYS 74 2HB LYS 74 6.357 0.032 -13.330 513 HB3 LYS 74 1HB LYS 74 4.962 0.399 -14.331 514 HG2 LYS 74 2HG LYS 74 6.491 1.286 -16.045 515 HG3 LYS 74 1HG LYS 74 7.851 0.764 -15.047 516 HD2 LYS 74 2HD LYS 74 5.733 -0.975 -16.316 517 HD3 LYS 74 1HD LYS 74 7.472 -0.849 -16.641 518 HE2 LYS 74 2HE LYS 74 7.997 -1.777 -14.468 519 HE3 LYS 74 1HE LYS 74 6.287 -1.846 -14.049 520 HZ1 LYS 74 1HZ LYS 74 5.967 -3.447 -15.843 521 HZ2 LYS 74 2HZ LYS 74 7.071 -3.999 -14.723 522 HZ3 LYS 74 3HZ LYS 74 7.609 -3.372 -16.210 523 H GLN 75 H GLN 75 3.614 1.599 -13.556 524 HA GLN 75 HA GLN 75 3.052 1.759 -10.668 525 HB2 GLN 75 2HB GLN 75 1.159 1.418 -13.009 526 HB3 GLN 75 1HB GLN 75 0.670 1.535 -11.331 527 HG2 GLN 75 2HG GLN 75 1.504 3.842 -11.300 528 HG3 GLN 75 1HG GLN 75 1.901 3.698 -13.018 529 HE21 GLN 75 1HE2 GLN 75 -0.491 2.008 -13.538 530 HE22 GLN 75 2HE2 GLN 75 -1.840 3.058 -13.489 531 H ALA 76 H ALA 76 1.949 -0.108 -9.821 532 HA ALA 76 HA ALA 76 2.647 -2.546 -11.305 533 HB1 ALA 76 1HB ALA 76 3.873 -2.265 -9.156 534 HB2 ALA 76 2HB ALA 76 2.861 -3.673 -9.140 535 HB3 ALA 76 3HB ALA 76 2.338 -2.190 -8.316 536 HA PRO 77 HA PRO 77 -1.607 -3.855 -11.569 537 HB2 PRO 77 2HB PRO 77 -1.161 -6.181 -9.820 538 HB3 PRO 77 1HB PRO 77 -1.733 -6.121 -11.506 539 HG2 PRO 77 2HG PRO 77 0.670 -7.003 -10.952 540 HG3 PRO 77 1HG PRO 77 0.367 -5.973 -12.382 541 HD2 PRO 77 2HD PRO 77 1.573 -5.255 -9.758 542 HD3 PRO 77 1HD PRO 77 2.052 -4.743 -11.396 543 H ASP 78 H ASP 78 -3.555 -3.956 -10.531 544 HA ASP 78 HA ASP 78 -3.871 -2.196 -8.392 545 HB2 ASP 78 2HB ASP 78 -5.863 -4.221 -9.405 546 HB3 ASP 78 1HB ASP 78 -6.225 -2.795 -8.446 547 H TRP 79 H TRP 79 -3.625 -5.660 -8.458 548 HA TRP 79 HA TRP 79 -4.642 -6.058 -5.843 549 HB2 TRP 79 2HB TRP 79 -3.796 -8.383 -6.087 550 HB3 TRP 79 1HB TRP 79 -4.753 -7.845 -7.468 551 HD1 TRP 79 HD TRP 79 -3.641 -7.899 -9.739 552 HE1 TRP 79 1HE TRP 79 -1.360 -8.751 -10.631 553 HE3 TRP 79 3HE TRP 79 -1.205 -8.522 -5.292 554 HZ2 TRP 79 2HZ TRP 79 1.121 -9.535 -9.576 555 HZ3 TRP 79 3HZ TRP 79 1.107 -9.312 -5.328 556 HH2 TRP 79 HH TRP 79 2.243 -9.813 -7.417 557 H LEU 80 H LEU 80 -1.586 -4.964 -7.003 558 HA LEU 80 HA LEU 80 -0.258 -5.821 -4.601 559 HB2 LEU 80 2HB LEU 80 0.948 -5.646 -6.795 560 HB3 LEU 80 1HB LEU 80 0.698 -3.899 -6.739 561 HG LEU 80 HG LEU 80 2.019 -3.812 -4.664 562 HD11 LEU 80 1HD1 LEU 80 1.672 -6.089 -3.881 563 HD12 LEU 80 2HD1 LEU 80 3.406 -5.763 -4.084 564 HD13 LEU 80 3HD1 LEU 80 2.535 -6.703 -5.295 565 HD21 LEU 80 1HD2 LEU 80 3.488 -5.160 -6.913 566 HD22 LEU 80 2HD2 LEU 80 4.190 -4.095 -5.687 567 HD23 LEU 80 3HD2 LEU 80 3.052 -3.462 -6.878 568 H ALA 81 H ALA 81 -0.980 -4.874 -2.886 569 HA ALA 81 HA ALA 81 -1.911 -2.100 -2.971 570 HB1 ALA 81 1HB ALA 81 -3.005 -2.622 -0.859 571 HB2 ALA 81 2HB ALA 81 -2.309 -4.237 -0.887 572 HB3 ALA 81 3HB ALA 81 -3.499 -3.771 -2.108 573 H ALA 82 H ALA 82 -1.333 -0.727 -1.344 574 HA ALA 82 HA ALA 82 0.746 -1.461 0.505 575 HB1 ALA 82 1HB ALA 82 2.165 0.459 -0.083 576 HB2 ALA 82 2HB ALA 82 1.093 0.840 -1.430 577 HB3 ALA 82 3HB ALA 82 2.023 -0.661 -1.440 578 H GLU 83 H GLU 83 0.416 -0.476 2.427 579 HA GLU 83 HA GLU 83 -1.136 1.965 2.575 580 HB2 GLU 83 2HB GLU 83 -2.481 0.950 4.447 581 HB3 GLU 83 1HB GLU 83 -2.793 0.132 2.926 582 HG2 GLU 83 2HG GLU 83 -1.415 -1.707 3.590 583 HG3 GLU 83 1HG GLU 83 -0.898 -0.845 5.035 584 HA PRO 84 HA PRO 84 2.323 2.258 5.376 585 HB2 PRO 84 2HB PRO 84 1.808 4.417 6.842 586 HB3 PRO 84 1HB PRO 84 1.967 4.550 5.135 587 HG2 PRO 84 2HG PRO 84 -0.638 4.235 6.562 588 HG3 PRO 84 1HG PRO 84 -0.141 5.531 5.444 589 HD2 PRO 84 2HD PRO 84 -1.498 3.462 4.437 590 HD3 PRO 84 1HD PRO 84 -0.055 4.172 3.639 591 H TYR 85 H TYR 85 2.921 1.711 7.442 592 HA TYR 85 HA TYR 85 1.065 -0.103 8.622 593 HB2 TYR 85 2HB TYR 85 2.845 -1.314 8.714 594 HB3 TYR 85 1HB TYR 85 3.933 -0.056 8.373 595 HD1 TYR 85 1HD TYR 85 2.450 -2.355 10.745 596 HD2 TYR 85 2HD TYR 85 5.045 1.006 10.491 597 HE1 TYR 85 1HE TYR 85 3.298 -2.847 12.995 598 HE2 TYR 85 2HE TYR 85 5.895 0.524 12.744 599 HH TYR 85 HH TYR 85 5.107 -0.635 14.783 Start of MODEL 15 1 H SER 7 1HT SER 7 -10.685 20.745 31.854 2 HA SER 7 HA SER 7 -12.477 22.181 32.255 3 HB2 SER 7 2HB SER 7 -12.636 23.034 29.869 4 HB3 SER 7 1HB SER 7 -13.350 21.494 29.417 5 HG SER 7 HG SER 7 -14.556 22.896 31.509 6 H GLY 8 H GLY 8 -14.179 21.115 33.294 7 HA2 GLY 8 2HA GLY 8 -13.968 18.256 33.242 8 HA3 GLY 8 1HA GLY 8 -14.920 19.209 34.362 9 H ARG 9 H ARG 9 -14.796 17.706 31.287 10 HA ARG 9 HA ARG 9 -17.602 17.212 31.373 11 HB2 ARG 9 2HB ARG 9 -17.989 17.879 28.998 12 HB3 ARG 9 1HB ARG 9 -17.702 19.236 30.071 13 HG2 ARG 9 2HG ARG 9 -15.385 19.357 29.250 14 HG3 ARG 9 1HG ARG 9 -15.732 18.033 28.137 15 HD2 ARG 9 2HD ARG 9 -15.892 20.209 27.046 16 HD3 ARG 9 1HD ARG 9 -17.454 19.382 27.058 17 HE ARG 9 HE ARG 9 -17.926 20.798 29.074 18 HH11 ARG 9 1HH1 ARG 9 -15.918 21.926 26.404 19 HH12 ARG 9 2HH1 ARG 9 -16.115 23.577 26.801 20 HH21 ARG 9 1HH2 ARG 9 -18.190 23.011 29.601 21 HH22 ARG 9 2HH2 ARG 9 -17.434 24.204 28.646 22 H GLU 10 H GLU 10 -17.389 15.211 31.550 23 HA GLU 10 HA GLU 10 -15.293 13.741 30.294 24 HB2 GLU 10 2HB GLU 10 -16.382 11.795 31.527 25 HB3 GLU 10 1HB GLU 10 -15.765 13.112 32.517 26 HG2 GLU 10 2HG GLU 10 -18.077 14.030 32.616 27 HG3 GLU 10 1HG GLU 10 -18.618 12.590 31.759 28 H ASN 11 H ASN 11 -15.584 13.811 28.191 29 HA ASN 11 HA ASN 11 -18.099 12.912 27.022 30 HB2 ASN 11 2HB ASN 11 -15.647 14.087 25.683 31 HB3 ASN 11 1HB ASN 11 -17.115 13.603 24.849 32 HD21 ASN 11 1HD2 ASN 11 -15.859 16.175 24.884 33 HD22 ASN 11 2HD2 ASN 11 -17.016 17.281 25.529 34 H LEU 12 H LEU 12 -18.117 11.356 25.451 35 HA LEU 12 HA LEU 12 -16.538 9.070 26.037 36 HB2 LEU 12 2HB LEU 12 -17.820 7.992 24.179 37 HB3 LEU 12 1HB LEU 12 -18.807 8.694 25.437 38 HG LEU 12 HG LEU 12 -19.036 10.696 23.877 39 HD11 LEU 12 1HD1 LEU 12 -17.346 10.228 22.265 40 HD12 LEU 12 2HD1 LEU 12 -18.923 10.232 21.476 41 HD13 LEU 12 3HD1 LEU 12 -18.119 8.703 21.843 42 HD21 LEU 12 1HD2 LEU 12 -20.875 9.210 24.384 43 HD22 LEU 12 2HD2 LEU 12 -20.329 8.079 23.143 44 HD23 LEU 12 3HD2 LEU 12 -20.921 9.674 22.684 45 H TYR 13 H TYR 13 -15.641 7.789 24.086 46 HA TYR 13 HA TYR 13 -13.576 9.530 23.007 47 HB2 TYR 13 2HB TYR 13 -12.977 7.306 24.048 48 HB3 TYR 13 1HB TYR 13 -13.814 6.521 22.714 49 HD1 TYR 13 1HD TYR 13 -10.882 8.482 23.684 50 HD2 TYR 13 2HD TYR 13 -12.769 6.391 20.501 51 HE1 TYR 13 1HE TYR 13 -8.789 8.560 22.407 52 HE2 TYR 13 2HE TYR 13 -10.669 6.464 19.208 53 HH TYR 13 HH TYR 13 -8.597 7.961 19.155 54 H PHE 14 H PHE 14 -14.014 10.506 21.180 55 HA PHE 14 HA PHE 14 -15.993 9.532 19.370 56 HB2 PHE 14 2HB PHE 14 -13.979 11.779 19.052 57 HB3 PHE 14 1HB PHE 14 -15.308 11.449 17.940 58 HD1 PHE 14 1HD PHE 14 -14.311 13.111 20.953 59 HD2 PHE 14 2HD PHE 14 -17.664 11.574 18.840 60 HE1 PHE 14 1HE PHE 14 -15.817 14.491 22.330 61 HE2 PHE 14 2HE PHE 14 -19.164 12.953 20.210 62 HZ PHE 14 HZ PHE 14 -18.238 14.414 21.956 63 H GLN 15 H GLN 15 -15.679 8.547 17.440 64 HA GLN 15 HA GLN 15 -13.875 6.556 17.226 65 HB2 GLN 15 2HB GLN 15 -15.930 6.656 15.943 66 HB3 GLN 15 1HB GLN 15 -15.302 7.986 14.991 67 HG2 GLN 15 2HG GLN 15 -13.712 6.561 13.918 68 HG3 GLN 15 1HG GLN 15 -14.085 5.233 15.016 69 HE21 GLN 15 1HE2 GLN 15 -14.260 5.384 12.070 70 HE22 GLN 15 2HE2 GLN 15 -15.880 4.955 11.688 71 H GLY 16 H GLY 16 -11.839 6.509 17.110 72 HA2 GLY 16 2HA GLY 16 -10.304 8.743 16.150 73 HA3 GLY 16 1HA GLY 16 -9.685 7.283 16.919 74 H HIS 17 H HIS 17 -10.339 8.877 14.037 75 HA HIS 17 HA HIS 17 -10.175 6.637 12.285 76 HB2 HIS 17 2HB HIS 17 -9.908 9.611 11.754 77 HB3 HIS 17 1HB HIS 17 -10.011 8.377 10.499 78 HD1 HIS 17 1HD HIS 17 -12.153 10.293 12.923 79 HD2 HIS 17 2HD HIS 17 -12.532 7.128 10.247 80 HE1 HIS 17 1HE HIS 17 -14.611 9.894 12.646 81 H MET 18 H MET 18 -8.289 7.080 10.397 82 HA MET 18 HA MET 18 -6.033 6.081 11.723 83 HB2 MET 18 2HB MET 18 -6.194 7.112 8.905 84 HB3 MET 18 1HB MET 18 -4.799 6.314 9.589 85 HG2 MET 18 2HG MET 18 -7.510 5.115 9.059 86 HG3 MET 18 1HG MET 18 -6.001 4.795 8.220 87 HE1 MET 18 1HE MET 18 -7.355 2.993 12.253 88 HE2 MET 18 2HE MET 18 -8.409 3.620 11.001 89 HE3 MET 18 3HE MET 18 -7.461 4.731 11.981 90 H ALA 19 H ALA 19 -3.846 6.819 11.503 91 HA ALA 19 HA ALA 19 -3.699 9.636 12.289 92 HB1 ALA 19 1HB ALA 19 -2.075 7.291 13.286 93 HB2 ALA 19 2HB ALA 19 -3.344 8.124 14.184 94 HB3 ALA 19 3HB ALA 19 -1.851 8.971 13.775 95 H ALA 20 H ALA 20 -1.223 10.196 12.215 96 HA ALA 20 HA ALA 20 -0.434 10.576 9.617 97 HB1 ALA 20 1HB ALA 20 1.747 11.197 10.557 98 HB2 ALA 20 2HB ALA 20 1.292 10.449 12.087 99 HB3 ALA 20 3HB ALA 20 0.413 11.859 11.499 100 HA PRO 21 HA PRO 21 0.979 6.588 8.104 101 HB2 PRO 21 2HB PRO 21 2.637 8.570 6.578 102 HB3 PRO 21 1HB PRO 21 1.795 7.124 5.968 103 HG2 PRO 21 2HG PRO 21 0.686 9.440 5.565 104 HG3 PRO 21 1HG PRO 21 -0.310 8.095 6.155 105 HD2 PRO 21 2HD PRO 21 0.709 10.456 7.644 106 HD3 PRO 21 1HD PRO 21 -0.832 9.586 7.799 107 H ALA 22 H ALA 22 2.254 5.459 9.184 108 HA ALA 22 HA ALA 22 4.186 6.283 11.006 109 HB1 ALA 22 1HB ALA 22 3.491 3.614 9.912 110 HB2 ALA 22 2HB ALA 22 2.633 4.445 11.200 111 HB3 ALA 22 3HB ALA 22 4.306 3.893 11.444 112 H ARG 23 H ARG 23 5.149 6.906 8.367 113 HA ARG 23 HA ARG 23 7.062 6.877 7.094 114 HB2 ARG 23 2HB ARG 23 8.096 6.128 9.793 115 HB3 ARG 23 1HB ARG 23 9.187 6.296 8.426 116 HG2 ARG 23 2HG ARG 23 8.563 8.590 8.127 117 HG3 ARG 23 1HG ARG 23 7.282 8.440 9.331 118 HD2 ARG 23 2HD ARG 23 8.835 8.204 11.088 119 HD3 ARG 23 1HD ARG 23 10.173 7.942 9.979 120 HE ARG 23 HE ARG 23 10.395 10.160 9.715 121 HH11 ARG 23 1HH1 ARG 23 7.210 9.721 11.212 122 HH12 ARG 23 2HH1 ARG 23 7.045 11.348 11.657 123 HH21 ARG 23 1HH2 ARG 23 10.194 12.340 10.340 124 HH22 ARG 23 2HH2 ARG 23 8.820 12.886 11.182 125 H SER 24 H SER 24 5.529 4.325 7.101 126 HA SER 24 HA SER 24 7.429 2.880 5.509 127 HB2 SER 24 2HB SER 24 6.248 1.783 8.026 128 HB3 SER 24 1HB SER 24 6.873 0.700 6.781 129 HG SER 24 HG SER 24 8.512 2.781 7.517 130 H CYS 25 H CYS 25 6.407 1.747 3.890 131 HA CYS 25 HA CYS 25 3.484 1.822 3.843 132 HB2 CYS 25 2HB CYS 25 5.553 1.647 1.627 133 HB3 CYS 25 1HB CYS 25 3.804 1.558 1.382 134 H VAL 26 H VAL 26 2.519 -0.119 3.783 135 HA VAL 26 HA VAL 26 4.290 -2.445 3.885 136 HB VAL 26 HB VAL 26 1.459 -2.255 4.974 137 HG11 VAL 26 1HG1 VAL 26 2.168 -3.974 6.437 138 HG12 VAL 26 2HG1 VAL 26 3.800 -3.915 5.773 139 HG13 VAL 26 3HG1 VAL 26 2.450 -4.493 4.761 140 HG21 VAL 26 1HG2 VAL 26 2.395 -1.706 7.064 141 HG22 VAL 26 2HG2 VAL 26 2.680 -0.476 5.825 142 HG23 VAL 26 3HG2 VAL 26 4.000 -1.550 6.314 143 H TYR 27 H TYR 27 4.109 -3.837 2.381 144 HA TYR 27 HA TYR 27 2.229 -3.337 0.251 145 HB2 TYR 27 2HB TYR 27 4.799 -4.913 0.395 146 HB3 TYR 27 1HB TYR 27 3.735 -4.931 -1.014 147 HD1 TYR 27 1HD TYR 27 4.187 -3.463 -2.678 148 HD2 TYR 27 2HD TYR 27 5.352 -2.415 1.253 149 HE1 TYR 27 1HE TYR 27 5.134 -1.332 -3.521 150 HE2 TYR 27 2HE TYR 27 6.297 -0.308 0.441 151 HH TYR 27 HH TYR 27 7.162 0.622 -1.704 152 H TYR 28 H TYR 28 0.655 -4.540 -0.241 153 HA TYR 28 HA TYR 28 0.326 -7.140 1.033 154 HB2 TYR 28 2HB TYR 28 -1.756 -4.992 0.615 155 HB3 TYR 28 1HB TYR 28 -2.022 -6.658 1.093 156 HD1 TYR 28 1HD TYR 28 -0.716 -3.375 2.255 157 HD2 TYR 28 2HD TYR 28 -1.668 -7.373 3.349 158 HE1 TYR 28 1HE TYR 28 -0.530 -2.783 4.614 159 HE2 TYR 28 2HE TYR 28 -1.476 -6.781 5.717 160 HH TYR 28 HH TYR 28 -0.529 -5.136 7.131 161 H ASP 29 H ASP 29 -1.055 -8.485 -0.097 162 HA ASP 29 HA ASP 29 -1.370 -7.933 -3.004 163 HB2 ASP 29 2HB ASP 29 0.258 -9.737 -2.533 164 HB3 ASP 29 1HB ASP 29 -0.921 -10.532 -1.506 165 H GLY 30 H GLY 30 -3.459 -7.252 -2.982 166 HA2 GLY 30 2HA GLY 30 -5.469 -9.171 -2.640 167 HA3 GLY 30 1HA GLY 30 -5.534 -8.129 -1.242 168 H HIS 31 H HIS 31 -7.373 -8.537 -3.424 169 HA HIS 31 HA HIS 31 -7.402 -5.949 -4.723 170 HB2 HIS 31 2HB HIS 31 -9.344 -8.264 -4.777 171 HB3 HIS 31 1HB HIS 31 -9.676 -6.715 -5.565 172 HD1 HIS 31 1HD HIS 31 -8.376 -9.987 -6.323 173 HD2 HIS 31 2HD HIS 31 -7.502 -6.096 -7.499 174 HE1 HIS 31 1HE HIS 31 -7.108 -10.173 -8.493 175 H LEU 32 H LEU 32 -8.784 -7.567 -1.986 176 HA LEU 32 HA LEU 32 -10.298 -5.139 -1.301 177 HB2 LEU 32 2HB LEU 32 -10.813 -7.983 -0.413 178 HB3 LEU 32 1HB LEU 32 -11.720 -6.588 0.098 179 HG LEU 32 HG LEU 32 -13.070 -7.688 -1.323 180 HD11 LEU 32 1HD1 LEU 32 -13.349 -6.279 -3.333 181 HD12 LEU 32 2HD1 LEU 32 -11.785 -5.547 -2.986 182 HD13 LEU 32 3HD1 LEU 32 -13.117 -5.363 -1.844 183 HD21 LEU 32 1HD2 LEU 32 -11.597 -9.299 -2.281 184 HD22 LEU 32 2HD2 LEU 32 -10.796 -8.056 -3.243 185 HD23 LEU 32 3HD2 LEU 32 -12.472 -8.497 -3.592 186 HA PRO 33 HA PRO 33 -7.804 -4.904 2.426 187 HB2 PRO 33 2HB PRO 33 -9.893 -4.630 4.282 188 HB3 PRO 33 1HB PRO 33 -9.100 -3.293 3.428 189 HG2 PRO 33 2HG PRO 33 -11.670 -4.619 2.841 190 HG3 PRO 33 1HG PRO 33 -11.194 -2.920 2.640 191 HD2 PRO 33 2HD PRO 33 -11.380 -4.554 0.539 192 HD3 PRO 33 1HD PRO 33 -10.112 -3.307 0.641 193 H ALA 34 H ALA 34 -10.707 -6.901 2.386 194 HA ALA 34 HA ALA 34 -9.999 -8.518 4.612 195 HB1 ALA 34 1HB ALA 34 -11.892 -9.891 3.944 196 HB2 ALA 34 2HB ALA 34 -11.984 -9.037 2.406 197 HB3 ALA 34 3HB ALA 34 -12.316 -8.179 3.909 198 H THR 35 H THR 35 -9.011 -8.554 1.285 199 HA THR 35 HA THR 35 -8.182 -11.326 1.628 200 HB THR 35 HB THR 35 -8.069 -11.392 -0.876 201 HG1 THR 35 1HG THR 35 -8.993 -9.835 -2.027 202 HG21 THR 35 1HG2 THR 35 -10.760 -10.796 0.347 203 HG22 THR 35 2HG2 THR 35 -9.951 -12.365 0.322 204 HG23 THR 35 3HG2 THR 35 -10.490 -11.629 -1.184 205 H ARG 36 H ARG 36 -6.804 -8.489 2.178 206 HA ARG 36 HA ARG 36 -4.499 -8.496 0.521 207 HB2 ARG 36 2HB ARG 36 -4.446 -7.631 3.382 208 HB3 ARG 36 1HB ARG 36 -3.473 -7.115 2.086 209 HG2 ARG 36 2HG ARG 36 -6.374 -6.456 2.283 210 HG3 ARG 36 1HG ARG 36 -5.068 -5.407 2.811 211 HD2 ARG 36 2HD ARG 36 -4.232 -5.431 0.436 212 HD3 ARG 36 1HD ARG 36 -5.735 -6.273 -0.003 213 HE ARG 36 HE ARG 36 -6.238 -4.071 1.618 214 HH11 ARG 36 1HH1 ARG 36 -5.633 -4.769 -1.865 215 HH12 ARG 36 2HH1 ARG 36 -6.311 -3.301 -2.348 216 HH21 ARG 36 1HH2 ARG 36 -7.070 -2.102 0.872 217 HH22 ARG 36 2HH2 ARG 36 -7.164 -1.733 -0.784 218 H VAL 37 H VAL 37 -2.568 -9.372 0.825 219 HA VAL 37 HA VAL 37 -2.047 -11.174 3.115 220 HB VAL 37 HB VAL 37 -0.948 -11.342 0.281 221 HG11 VAL 37 1HG1 VAL 37 -0.613 -13.240 2.589 222 HG12 VAL 37 2HG1 VAL 37 0.619 -12.171 1.909 223 HG13 VAL 37 3HG1 VAL 37 -0.025 -13.496 0.943 224 HG21 VAL 37 1HG2 VAL 37 -2.271 -13.382 -0.000 225 HG22 VAL 37 2HG2 VAL 37 -3.300 -11.976 0.285 226 HG23 VAL 37 3HG2 VAL 37 -2.995 -13.126 1.587 227 H LEU 38 H LEU 38 -0.338 -10.401 4.304 228 HA LEU 38 HA LEU 38 0.923 -8.024 3.313 229 HB2 LEU 38 2HB LEU 38 0.288 -8.234 5.688 230 HB3 LEU 38 1HB LEU 38 1.470 -9.502 5.889 231 HG LEU 38 HG LEU 38 2.314 -6.731 5.038 232 HD11 LEU 38 1HD1 LEU 38 0.979 -6.492 7.042 233 HD12 LEU 38 2HD1 LEU 38 2.694 -6.227 7.374 234 HD13 LEU 38 3HD1 LEU 38 1.929 -7.756 7.839 235 HD21 LEU 38 1HD2 LEU 38 3.987 -8.538 4.906 236 HD22 LEU 38 2HD2 LEU 38 3.728 -8.886 6.617 237 HD23 LEU 38 3HD2 LEU 38 4.404 -7.335 6.125 238 H LEU 39 H LEU 39 2.591 -7.900 2.156 239 HA LEU 39 HA LEU 39 4.215 -10.258 1.652 240 HB2 LEU 39 2HB LEU 39 4.229 -7.549 0.321 241 HB3 LEU 39 1HB LEU 39 5.077 -8.977 -0.241 242 HG LEU 39 HG LEU 39 2.084 -8.606 -0.121 243 HD11 LEU 39 1HD1 LEU 39 2.184 -8.757 -2.542 244 HD12 LEU 39 2HD1 LEU 39 3.941 -8.852 -2.472 245 HD13 LEU 39 3HD1 LEU 39 3.110 -7.385 -1.937 246 HD21 LEU 39 1HD2 LEU 39 2.640 -10.887 0.392 247 HD22 LEU 39 2HD2 LEU 39 3.711 -10.973 -1.006 248 HD23 LEU 39 3HD2 LEU 39 1.963 -10.790 -1.238 249 H MET 40 H MET 40 4.573 -6.909 2.671 250 HA MET 40 HA MET 40 6.558 -7.293 4.592 251 HB2 MET 40 2HB MET 40 8.511 -6.288 3.582 252 HB3 MET 40 1HB MET 40 8.173 -7.887 2.862 253 HG2 MET 40 2HG MET 40 7.352 -6.726 0.904 254 HG3 MET 40 1HG MET 40 7.544 -5.186 1.756 255 HE1 MET 40 1HE MET 40 11.119 -7.873 0.540 256 HE2 MET 40 2HE MET 40 9.438 -8.286 0.206 257 HE3 MET 40 3HE MET 40 10.034 -8.277 1.869 258 H TYR 41 H TYR 41 7.623 -5.443 5.309 259 HA TYR 41 HA TYR 41 6.037 -2.976 5.022 260 HB2 TYR 41 2HB TYR 41 8.162 -3.769 7.038 261 HB3 TYR 41 1HB TYR 41 7.204 -2.311 7.084 262 HD1 TYR 41 1HD TYR 41 5.230 -2.273 8.357 263 HD2 TYR 41 2HD TYR 41 6.939 -6.020 7.312 264 HE1 TYR 41 1HE TYR 41 3.666 -3.411 9.873 265 HE2 TYR 41 2HE TYR 41 5.391 -7.162 8.808 266 HH TYR 41 HH TYR 41 2.723 -5.538 10.289 267 H VAL 42 H VAL 42 7.016 -1.280 3.985 268 HA VAL 42 HA VAL 42 9.916 -1.436 3.527 269 HB VAL 42 HB VAL 42 7.870 -0.227 1.680 270 HG11 VAL 42 1HG1 VAL 42 9.732 -0.077 0.084 271 HG12 VAL 42 2HG1 VAL 42 10.833 -0.691 1.316 272 HG13 VAL 42 3HG1 VAL 42 10.043 0.869 1.538 273 HG21 VAL 42 1HG2 VAL 42 9.396 -2.808 1.458 274 HG22 VAL 42 2HG2 VAL 42 8.349 -2.102 0.207 275 HG23 VAL 42 3HG2 VAL 42 7.664 -2.624 1.749 276 H ARG 43 H ARG 43 10.868 0.192 4.618 277 HA ARG 43 HA ARG 43 9.644 2.344 5.894 278 HB2 ARG 43 2HB ARG 43 11.925 1.432 6.343 279 HB3 ARG 43 1HB ARG 43 12.456 2.121 4.818 280 HG2 ARG 43 2HG ARG 43 11.481 4.332 5.956 281 HG3 ARG 43 1HG ARG 43 11.937 3.431 7.412 282 HD2 ARG 43 2HD ARG 43 14.170 3.026 6.358 283 HD3 ARG 43 1HD ARG 43 13.630 4.081 5.050 284 HE ARG 43 HE ARG 43 13.992 4.927 7.828 285 HH11 ARG 43 1HH1 ARG 43 13.898 5.789 4.393 286 HH12 ARG 43 2HH1 ARG 43 14.796 7.216 4.586 287 HH21 ARG 43 1HH2 ARG 43 15.244 6.890 8.064 288 HH22 ARG 43 2HH2 ARG 43 15.612 7.847 6.704 289 H ILE 44 H ILE 44 9.181 4.309 5.193 290 HA ILE 44 HA ILE 44 8.945 5.014 2.436 291 HB ILE 44 HB ILE 44 9.377 7.065 4.590 292 HG12 ILE 44 2HG1 ILE 44 7.583 5.516 5.102 293 HG13 ILE 44 1HG1 ILE 44 7.045 7.205 5.060 294 HG21 ILE 44 1HG2 ILE 44 7.975 7.273 1.919 295 HG22 ILE 44 2HG2 ILE 44 9.529 7.979 2.341 296 HG23 ILE 44 3HG2 ILE 44 8.053 8.572 3.108 297 HD11 ILE 44 1HD1 ILE 44 5.371 5.731 4.209 298 HD12 ILE 44 2HD1 ILE 44 6.492 4.959 3.110 299 HD13 ILE 44 3HD1 ILE 44 5.999 6.646 2.849 300 H GLY 45 H GLY 45 10.408 5.486 1.078 301 HA2 GLY 45 2HA GLY 45 12.141 6.987 0.310 302 HA3 GLY 45 1HA GLY 45 12.891 6.853 1.901 303 H ASN 46 H ASN 46 12.110 3.952 1.747 304 HA ASN 46 HA ASN 46 14.657 3.073 0.637 305 HB2 ASN 46 2HB ASN 46 14.143 2.562 2.896 306 HB3 ASN 46 1HB ASN 46 12.636 1.782 2.349 307 HD21 ASN 46 1HD2 ASN 46 13.216 -0.323 3.187 308 HD22 ASN 46 2HD2 ASN 46 14.528 -1.221 2.545 309 H THR 47 H THR 47 14.709 1.151 -0.491 310 HA THR 47 HA THR 47 12.423 0.776 -2.277 311 HB THR 47 HB THR 47 14.032 -0.364 -3.736 312 HG1 THR 47 1HG THR 47 15.993 -0.670 -3.013 313 HG21 THR 47 1HG2 THR 47 14.567 2.548 -3.144 314 HG22 THR 47 2HG2 THR 47 13.348 1.894 -4.243 315 HG23 THR 47 3HG2 THR 47 15.064 1.722 -4.621 316 H ALA 48 H ALA 48 11.890 -1.274 -2.863 317 HA ALA 48 HA ALA 48 12.980 -3.468 -1.238 318 HB1 ALA 48 1HB ALA 48 11.008 -2.682 -0.036 319 HB2 ALA 48 2HB ALA 48 10.766 -4.307 -0.681 320 HB3 ALA 48 3HB ALA 48 10.028 -2.921 -1.482 321 H THR 49 H THR 49 13.020 -5.403 -2.251 322 HA THR 49 HA THR 49 12.110 -5.431 -5.052 323 HB THR 49 HB THR 49 14.038 -7.407 -3.816 324 HG1 THR 49 1HG THR 49 15.015 -5.019 -5.029 325 HG21 THR 49 1HG2 THR 49 13.847 -6.151 -6.568 326 HG22 THR 49 2HG2 THR 49 13.209 -7.735 -6.137 327 HG23 THR 49 3HG2 THR 49 14.949 -7.444 -6.095 328 H ILE 50 H ILE 50 10.093 -6.326 -4.995 329 HA ILE 50 HA ILE 50 9.462 -8.378 -2.962 330 HB ILE 50 HB ILE 50 7.551 -7.342 -5.026 331 HG12 ILE 50 2HG1 ILE 50 8.441 -5.286 -4.073 332 HG13 ILE 50 1HG1 ILE 50 6.782 -5.548 -3.520 333 HG21 ILE 50 1HG2 ILE 50 6.816 -9.200 -3.706 334 HG22 ILE 50 2HG2 ILE 50 5.868 -7.770 -3.293 335 HG23 ILE 50 3HG2 ILE 50 7.149 -8.321 -2.214 336 HD11 ILE 50 1HD1 ILE 50 9.293 -6.066 -1.983 337 HD12 ILE 50 2HD1 ILE 50 7.647 -6.349 -1.400 338 HD13 ILE 50 3HD1 ILE 50 8.194 -4.699 -1.764 339 H THR 51 H THR 51 10.082 -10.412 -3.724 340 HA THR 51 HA THR 51 9.256 -10.966 -6.465 341 HB THR 51 HB THR 51 10.603 -12.737 -4.399 342 HG1 THR 51 1HG THR 51 11.783 -12.150 -6.838 343 HG21 THR 51 1HG2 THR 51 10.897 -14.383 -6.206 344 HG22 THR 51 2HG2 THR 51 9.958 -13.359 -7.292 345 HG23 THR 51 3HG2 THR 51 9.187 -14.090 -5.883 346 H ALA 52 H ALA 52 7.303 -11.555 -6.853 347 HA ALA 52 HA ALA 52 5.834 -13.296 -5.065 348 HB1 ALA 52 1HB ALA 52 5.187 -11.104 -4.244 349 HB2 ALA 52 2HB ALA 52 3.841 -11.772 -5.172 350 HB3 ALA 52 3HB ALA 52 4.881 -10.541 -5.880 351 H ARG 53 H ARG 53 5.014 -14.811 -6.338 352 HA ARG 53 HA ARG 53 4.181 -15.924 -8.092 353 HB2 ARG 53 2HB ARG 53 3.062 -13.192 -8.660 354 HB3 ARG 53 1HB ARG 53 2.686 -14.592 -9.685 355 HG2 ARG 53 2HG ARG 53 1.806 -15.773 -7.797 356 HG3 ARG 53 1HG ARG 53 2.249 -14.439 -6.724 357 HD2 ARG 53 2HD ARG 53 0.570 -13.041 -7.658 358 HD3 ARG 53 1HD ARG 53 0.320 -14.132 -9.024 359 HE ARG 53 HE ARG 53 -0.375 -15.772 -7.249 360 HH11 ARG 53 1HH1 ARG 53 -0.988 -12.300 -6.755 361 HH12 ARG 53 2HH1 ARG 53 -2.444 -12.534 -5.938 362 HH21 ARG 53 1HH2 ARG 53 -2.398 -16.084 -6.136 363 HH22 ARG 53 2HH2 ARG 53 -3.292 -14.743 -5.609 364 H GLY 54 H GLY 54 6.805 -14.894 -8.232 365 HA2 GLY 54 2HA GLY 54 8.461 -15.477 -9.783 366 HA3 GLY 54 1HA GLY 54 7.240 -15.429 -11.057 367 H HIS 55 H HIS 55 6.632 -12.648 -9.584 368 HA HIS 55 HA HIS 55 8.421 -11.234 -11.428 369 HB2 HIS 55 2HB HIS 55 5.827 -10.396 -10.117 370 HB3 HIS 55 1HB HIS 55 6.843 -9.323 -11.083 371 HD1 HIS 55 1HD HIS 55 5.578 -8.941 -13.227 372 HD2 HIS 55 2HD HIS 55 5.357 -12.898 -11.960 373 HE1 HIS 55 1HE HIS 55 4.252 -10.149 -14.966 374 H GLU 56 H GLU 56 10.113 -10.147 -10.554 375 HA GLU 56 HA GLU 56 10.100 -9.352 -7.805 376 HB2 GLU 56 2HB GLU 56 12.000 -8.894 -10.111 377 HB3 GLU 56 1HB GLU 56 12.214 -8.124 -8.555 378 HG2 GLU 56 2HG GLU 56 13.657 -10.032 -8.628 379 HG3 GLU 56 1HG GLU 56 12.285 -10.317 -7.549 380 H PHE 57 H PHE 57 8.968 -7.601 -7.250 381 HA PHE 57 HA PHE 57 8.644 -5.396 -9.153 382 HB2 PHE 57 2HB PHE 57 7.331 -5.913 -6.461 383 HB3 PHE 57 1HB PHE 57 6.920 -4.625 -7.588 384 HD1 PHE 57 1HD PHE 57 5.648 -5.156 -9.636 385 HD2 PHE 57 2HD PHE 57 6.455 -8.103 -6.671 386 HE1 PHE 57 1HE PHE 57 3.848 -6.573 -10.541 387 HE2 PHE 57 2HE PHE 57 4.664 -9.515 -7.586 388 HZ PHE 57 HZ PHE 57 3.361 -8.751 -9.509 389 H GLU 58 H GLU 58 10.562 -4.246 -8.909 390 HA GLU 58 HA GLU 58 11.285 -3.832 -6.141 391 HB2 GLU 58 2HB GLU 58 13.191 -4.464 -7.704 392 HB3 GLU 58 1HB GLU 58 12.921 -2.904 -8.502 393 HG2 GLU 58 2HG GLU 58 13.522 -1.681 -6.624 394 HG3 GLU 58 1HG GLU 58 13.404 -3.116 -5.616 395 H VAL 59 H VAL 59 10.495 -2.336 -5.199 396 HA VAL 59 HA VAL 59 9.392 -0.000 -6.649 397 HB VAL 59 HB VAL 59 7.763 0.111 -4.761 398 HG11 VAL 59 1HG1 VAL 59 6.435 -1.890 -5.342 399 HG12 VAL 59 2HG1 VAL 59 7.820 -2.519 -6.237 400 HG13 VAL 59 3HG1 VAL 59 7.021 -1.025 -6.758 401 HG21 VAL 59 1HG2 VAL 59 7.551 -1.776 -3.285 402 HG22 VAL 59 2HG2 VAL 59 9.169 -1.006 -3.170 403 HG23 VAL 59 3HG2 VAL 59 8.962 -2.521 -4.068 404 H GLU 60 H GLU 60 9.199 1.825 -5.358 405 HA GLU 60 HA GLU 60 11.198 2.048 -3.236 406 HB2 GLU 60 2HB GLU 60 12.026 3.165 -5.311 407 HB3 GLU 60 1HB GLU 60 10.528 4.093 -5.377 408 HG2 GLU 60 2HG GLU 60 11.116 5.293 -3.386 409 HG3 GLU 60 1HG GLU 60 12.514 4.255 -3.122 410 H ALA 61 H ALA 61 10.210 2.642 -1.420 411 HA ALA 61 HA ALA 61 7.430 3.452 -1.543 412 HB1 ALA 61 1HB ALA 61 9.317 3.394 0.831 413 HB2 ALA 61 2HB ALA 61 8.189 2.117 0.381 414 HB3 ALA 61 3HB ALA 61 7.577 3.677 0.924 415 H LYS 62 H LYS 62 7.416 5.193 -2.688 416 HA LYS 62 HA LYS 62 9.251 7.288 -2.791 417 HB2 LYS 62 2HB LYS 62 6.323 7.429 -3.488 418 HB3 LYS 62 1HB LYS 62 7.601 8.443 -4.124 419 HG2 LYS 62 2HG LYS 62 7.341 5.477 -4.594 420 HG3 LYS 62 1HG LYS 62 6.794 6.747 -5.696 421 HD2 LYS 62 2HD LYS 62 9.648 6.279 -4.827 422 HD3 LYS 62 1HD LYS 62 8.948 5.749 -6.355 423 HE2 LYS 62 2HE LYS 62 8.440 8.120 -6.875 424 HE3 LYS 62 1HE LYS 62 9.282 8.587 -5.400 425 HZ1 LYS 62 1HZ LYS 62 10.779 8.790 -7.249 426 HZ2 LYS 62 2HZ LYS 62 10.467 7.231 -7.760 427 HZ3 LYS 62 3HZ LYS 62 11.280 7.471 -6.305 428 H ASP 63 H ASP 63 6.003 7.251 -1.374 429 HA ASP 63 HA ASP 63 6.738 9.250 0.562 430 HB2 ASP 63 2HB ASP 63 6.240 10.530 -1.547 431 HB3 ASP 63 1HB ASP 63 4.614 9.866 -1.509 432 H GLN 64 H GLN 64 4.595 9.877 1.761 433 HA GLN 64 HA GLN 64 3.732 7.503 2.978 434 HB2 GLN 64 2HB GLN 64 2.287 8.975 4.333 435 HB3 GLN 64 1HB GLN 64 3.998 9.354 4.373 436 HG2 GLN 64 2HG GLN 64 3.604 11.200 2.790 437 HG3 GLN 64 1HG GLN 64 1.884 10.809 2.780 438 HE21 GLN 64 1HE2 GLN 64 0.628 11.359 4.552 439 HE22 GLN 64 2HE2 GLN 64 1.214 12.393 5.805 440 H ASN 65 H ASN 65 2.448 8.946 0.223 441 HA ASN 65 HA ASN 65 -0.286 8.278 0.464 442 HB2 ASN 65 2HB ASN 65 1.495 8.149 -1.989 443 HB3 ASN 65 1HB ASN 65 -0.262 7.994 -2.007 444 HD21 ASN 65 1HD2 ASN 65 -1.516 9.856 -1.678 445 HD22 ASN 65 2HD2 ASN 65 -0.822 11.432 -1.798 446 H CYS 66 H CYS 66 2.602 6.484 -0.169 447 HA CYS 66 HA CYS 66 3.154 4.381 -0.358 448 HB2 CYS 66 2HB CYS 66 0.619 3.974 1.217 449 HB3 CYS 66 1HB CYS 66 1.784 2.685 0.867 450 H LYS 67 H LYS 67 1.671 5.534 -2.510 451 HA LYS 67 HA LYS 67 0.248 3.533 -3.741 452 HB2 LYS 67 2HB LYS 67 0.460 6.028 -4.315 453 HB3 LYS 67 1HB LYS 67 1.979 5.610 -5.085 454 HG2 LYS 67 2HG LYS 67 0.295 5.754 -6.772 455 HG3 LYS 67 1HG LYS 67 0.713 4.052 -6.565 456 HD2 LYS 67 2HD LYS 67 -1.283 4.998 -4.769 457 HD3 LYS 67 1HD LYS 67 -1.863 5.047 -6.459 458 HE2 LYS 67 2HE LYS 67 -1.323 2.636 -6.624 459 HE3 LYS 67 1HE LYS 67 -0.704 2.658 -4.976 460 HZ1 LYS 67 1HZ LYS 67 -2.970 1.766 -5.075 461 HZ2 LYS 67 2HZ LYS 67 -3.525 3.213 -5.746 462 HZ3 LYS 67 3HZ LYS 67 -2.912 3.187 -4.194 463 H VAL 68 H VAL 68 1.070 1.816 -4.866 464 HA VAL 68 HA VAL 68 3.841 1.248 -4.611 465 HB VAL 68 HB VAL 68 2.446 -0.686 -4.461 466 HG11 VAL 68 1HG1 VAL 68 1.018 -1.498 -6.261 467 HG12 VAL 68 2HG1 VAL 68 1.433 -0.091 -7.238 468 HG13 VAL 68 3HG1 VAL 68 0.515 0.114 -5.747 469 HG21 VAL 68 1HG2 VAL 68 3.442 -2.155 -6.171 470 HG22 VAL 68 2HG2 VAL 68 4.638 -1.007 -5.560 471 HG23 VAL 68 3HG2 VAL 68 3.885 -0.742 -7.111 472 H ILE 69 H ILE 69 5.129 2.452 -5.595 473 HA ILE 69 HA ILE 69 4.842 2.802 -8.485 474 HB ILE 69 HB ILE 69 6.199 4.658 -6.489 475 HG12 ILE 69 2HG1 ILE 69 3.746 5.104 -8.189 476 HG13 ILE 69 1HG1 ILE 69 3.697 4.584 -6.514 477 HG21 ILE 69 1HG2 ILE 69 6.528 6.145 -8.415 478 HG22 ILE 69 2HG2 ILE 69 5.767 4.958 -9.471 479 HG23 ILE 69 3HG2 ILE 69 7.310 4.588 -8.705 480 HD11 ILE 69 1HD1 ILE 69 4.742 6.696 -5.843 481 HD12 ILE 69 2HD1 ILE 69 3.273 6.988 -6.769 482 HD13 ILE 69 3HD1 ILE 69 4.851 7.177 -7.536 483 H LEU 70 H LEU 70 6.277 1.798 -9.560 484 HA LEU 70 HA LEU 70 8.245 0.248 -8.223 485 HB2 LEU 70 2HB LEU 70 7.307 0.510 -11.042 486 HB3 LEU 70 1HB LEU 70 8.775 -0.360 -10.679 487 HG LEU 70 HG LEU 70 6.805 -1.800 -10.988 488 HD11 LEU 70 1HD1 LEU 70 8.029 -1.940 -8.286 489 HD12 LEU 70 2HD1 LEU 70 8.634 -2.664 -9.774 490 HD13 LEU 70 3HD1 LEU 70 7.110 -3.216 -9.075 491 HD21 LEU 70 1HD2 LEU 70 5.781 -0.499 -8.502 492 HD22 LEU 70 2HD2 LEU 70 5.232 -2.033 -9.161 493 HD23 LEU 70 3HD2 LEU 70 5.005 -0.547 -10.100 494 H THR 71 H THR 71 10.351 0.215 -8.850 495 HA THR 71 HA THR 71 11.624 2.766 -8.683 496 HB THR 71 HB THR 71 13.765 1.535 -9.162 497 HG1 THR 71 1HG THR 71 13.658 -0.607 -9.606 498 HG21 THR 71 1HG2 THR 71 12.806 1.843 -6.940 499 HG22 THR 71 2HG2 THR 71 13.677 0.297 -7.090 500 HG23 THR 71 3HG2 THR 71 11.899 0.341 -7.152 501 H ASN 72 H ASN 72 10.732 0.823 -11.351 502 HA ASN 72 HA ASN 72 12.364 2.389 -13.166 503 HB2 ASN 72 2HB ASN 72 11.810 0.707 -14.840 504 HB3 ASN 72 1HB ASN 72 12.435 -0.030 -13.360 505 HD21 ASN 72 1HD2 ASN 72 11.021 -1.297 -15.417 506 HD22 ASN 72 2HD2 ASN 72 9.573 -1.928 -14.730 507 H GLY 73 H GLY 73 9.593 2.777 -11.684 508 HA2 GLY 73 2HA GLY 73 8.288 4.673 -12.006 509 HA3 GLY 73 1HA GLY 73 8.805 4.706 -13.696 510 H LYS 74 H LYS 74 7.865 1.566 -12.943 511 HA LYS 74 HA LYS 74 5.507 2.027 -14.389 512 HB2 LYS 74 2HB LYS 74 6.383 -0.485 -13.026 513 HB3 LYS 74 1HB LYS 74 5.095 -0.359 -14.212 514 HG2 LYS 74 2HG LYS 74 6.792 0.434 -15.842 515 HG3 LYS 74 1HG LYS 74 8.024 0.056 -14.637 516 HD2 LYS 74 2HD LYS 74 6.127 -1.861 -15.993 517 HD3 LYS 74 1HD LYS 74 7.895 -1.707 -16.056 518 HE2 LYS 74 2HE LYS 74 8.105 -2.430 -13.769 519 HE3 LYS 74 1HE LYS 74 6.356 -2.449 -13.588 520 HZ1 LYS 74 1HZ LYS 74 6.217 -4.255 -15.178 521 HZ2 LYS 74 2HZ LYS 74 7.264 -4.671 -13.918 522 HZ3 LYS 74 3HZ LYS 74 7.893 -4.223 -15.407 523 H GLN 75 H GLN 75 3.555 1.038 -13.811 524 HA GLN 75 HA GLN 75 2.657 1.515 -11.073 525 HB2 GLN 75 2HB GLN 75 1.123 0.851 -13.611 526 HB3 GLN 75 1HB GLN 75 0.393 1.087 -12.037 527 HG2 GLN 75 2HG GLN 75 1.126 3.418 -12.058 528 HG3 GLN 75 1HG GLN 75 1.840 3.167 -13.654 529 HE21 GLN 75 1HE2 GLN 75 0.486 2.880 -15.432 530 HE22 GLN 75 2HE2 GLN 75 -1.184 3.274 -15.388 531 H ALA 76 H ALA 76 1.584 -0.234 -10.048 532 HA ALA 76 HA ALA 76 2.477 -2.796 -11.109 533 HB1 ALA 76 1HB ALA 76 1.870 -2.334 -8.193 534 HB2 ALA 76 2HB ALA 76 3.392 -1.910 -8.925 535 HB3 ALA 76 3HB ALA 76 2.872 -3.584 -8.968 536 HA PRO 77 HA PRO 77 -1.549 -4.666 -11.544 537 HB2 PRO 77 2HB PRO 77 -0.821 -6.289 -9.159 538 HB3 PRO 77 1HB PRO 77 -1.549 -6.804 -10.702 539 HG2 PRO 77 2HG PRO 77 0.972 -7.259 -10.321 540 HG3 PRO 77 1HG PRO 77 0.437 -6.570 -11.877 541 HD2 PRO 77 2HD PRO 77 1.784 -5.240 -9.596 542 HD3 PRO 77 1HD PRO 77 1.989 -4.970 -11.341 543 H ASP 78 H ASP 78 -3.540 -4.520 -10.835 544 HA ASP 78 HA ASP 78 -4.345 -2.566 -9.039 545 HB2 ASP 78 2HB ASP 78 -5.653 -3.396 -10.952 546 HB3 ASP 78 1HB ASP 78 -5.908 -4.914 -10.113 547 H TRP 79 H TRP 79 -3.611 -5.862 -8.460 548 HA TRP 79 HA TRP 79 -4.959 -5.961 -5.904 549 HB2 TRP 79 2HB TRP 79 -4.017 -8.315 -5.851 550 HB3 TRP 79 1HB TRP 79 -5.155 -7.938 -7.143 551 HD1 TRP 79 HD TRP 79 -4.338 -8.119 -9.528 552 HE1 TRP 79 1HE TRP 79 -2.246 -9.155 -10.660 553 HE3 TRP 79 3HE TRP 79 -1.356 -8.539 -5.416 554 HZ2 TRP 79 2HZ TRP 79 0.322 -10.017 -9.876 555 HZ3 TRP 79 3HZ TRP 79 0.903 -9.461 -5.687 556 HH2 TRP 79 HH TRP 79 1.726 -10.185 -7.865 557 H LEU 80 H LEU 80 -1.956 -4.903 -6.977 558 HA LEU 80 HA LEU 80 -0.598 -5.749 -4.566 559 HB2 LEU 80 2HB LEU 80 0.539 -5.869 -6.830 560 HB3 LEU 80 1HB LEU 80 0.439 -4.110 -6.888 561 HG LEU 80 HG LEU 80 1.872 -3.949 -4.935 562 HD11 LEU 80 1HD1 LEU 80 3.041 -5.946 -4.129 563 HD12 LEU 80 2HD1 LEU 80 2.009 -6.935 -5.178 564 HD13 LEU 80 3HD1 LEU 80 1.296 -6.022 -3.832 565 HD21 LEU 80 1HD2 LEU 80 3.960 -4.790 -5.937 566 HD22 LEU 80 2HD2 LEU 80 2.948 -3.918 -7.076 567 HD23 LEU 80 3HD2 LEU 80 3.006 -5.682 -7.126 568 H ALA 81 H ALA 81 -0.819 -4.484 -2.874 569 HA ALA 81 HA ALA 81 -1.331 -1.587 -3.303 570 HB1 ALA 81 1HB ALA 81 -2.871 -1.590 -1.465 571 HB2 ALA 81 2HB ALA 81 -2.625 -3.302 -1.207 572 HB3 ALA 81 3HB ALA 81 -3.440 -2.741 -2.683 573 H ALA 82 H ALA 82 -0.837 -0.271 -1.558 574 HA ALA 82 HA ALA 82 0.704 -1.434 0.594 575 HB1 ALA 82 1HB ALA 82 1.800 0.829 -1.077 576 HB2 ALA 82 2HB ALA 82 2.399 -0.831 -1.077 577 HB3 ALA 82 3HB ALA 82 2.537 0.158 0.379 578 H GLU 83 H GLU 83 0.486 -0.372 2.498 579 HA GLU 83 HA GLU 83 -0.751 2.250 2.572 580 HB2 GLU 83 2HB GLU 83 -2.380 1.348 4.314 581 HB3 GLU 83 1HB GLU 83 -2.704 0.810 2.668 582 HG2 GLU 83 2HG GLU 83 -1.701 -1.327 3.200 583 HG3 GLU 83 1HG GLU 83 -1.287 -0.742 4.811 584 HA PRO 84 HA PRO 84 2.402 2.446 5.726 585 HB2 PRO 84 2HB PRO 84 1.614 4.522 7.225 586 HB3 PRO 84 1HB PRO 84 2.126 4.733 5.594 587 HG2 PRO 84 2HG PRO 84 -0.700 4.444 6.507 588 HG3 PRO 84 1HG PRO 84 0.021 5.726 5.498 589 HD2 PRO 84 2HD PRO 84 -1.221 3.751 4.262 590 HD3 PRO 84 1HD PRO 84 0.380 4.340 3.725 591 H TYR 85 H TYR 85 2.886 1.430 7.414 592 HA TYR 85 HA TYR 85 1.114 -0.426 8.470 593 HB2 TYR 85 2HB TYR 85 3.050 -1.505 9.120 594 HB3 TYR 85 1HB TYR 85 3.730 -0.262 8.205 595 HD1 TYR 85 1HD TYR 85 3.379 -1.501 11.619 596 HD2 TYR 85 2HD TYR 85 4.882 1.630 9.199 597 HE1 TYR 85 1HE TYR 85 4.847 -0.795 13.468 598 HE2 TYR 85 2HE TYR 85 6.370 2.348 11.024 599 HH TYR 85 HH TYR 85 6.470 2.190 13.443 Start of MODEL 16 1 H SER 7 1HT SER 7 13.115 22.324 30.328 2 HA SER 7 HA SER 7 10.739 22.251 30.665 3 HB2 SER 7 2HB SER 7 10.676 24.202 28.353 4 HB3 SER 7 1HB SER 7 9.282 23.541 29.208 5 HG SER 7 HG SER 7 9.608 24.848 30.812 6 H GLY 8 H GLY 8 9.891 20.465 29.782 7 HA2 GLY 8 2HA GLY 8 10.288 19.909 26.965 8 HA3 GLY 8 1HA GLY 8 10.899 18.707 28.119 9 H ARG 9 H ARG 9 8.077 20.270 26.854 10 HA ARG 9 HA ARG 9 6.481 18.381 28.406 11 HB2 ARG 9 2HB ARG 9 5.637 21.181 27.696 12 HB3 ARG 9 1HB ARG 9 4.717 20.012 28.628 13 HG2 ARG 9 2HG ARG 9 6.577 20.045 30.312 14 HG3 ARG 9 1HG ARG 9 7.254 21.408 29.424 15 HD2 ARG 9 2HD ARG 9 5.937 22.288 31.213 16 HD3 ARG 9 1HD ARG 9 5.073 22.566 29.694 17 HE ARG 9 HE ARG 9 4.346 20.133 30.989 18 HH11 ARG 9 1HH1 ARG 9 3.654 23.594 30.798 19 HH12 ARG 9 2HH1 ARG 9 2.122 23.500 31.505 20 HH21 ARG 9 1HH2 ARG 9 2.204 19.968 31.980 21 HH22 ARG 9 2HH2 ARG 9 1.299 21.388 32.214 22 H GLU 10 H GLU 10 5.689 16.954 27.134 23 HA GLU 10 HA GLU 10 4.041 17.832 24.964 24 HB2 GLU 10 2HB GLU 10 4.802 16.038 23.458 25 HB3 GLU 10 1HB GLU 10 6.084 17.183 23.777 26 HG2 GLU 10 2HG GLU 10 5.850 14.543 25.197 27 HG3 GLU 10 1HG GLU 10 6.726 14.749 23.688 28 H ASN 11 H ASN 11 2.381 16.365 24.548 29 HA ASN 11 HA ASN 11 2.188 14.083 26.359 30 HB2 ASN 11 2HB ASN 11 0.817 16.068 27.241 31 HB3 ASN 11 1HB ASN 11 -0.123 15.969 25.761 32 HD21 ASN 11 1HD2 ASN 11 -0.957 15.673 28.536 33 HD22 ASN 11 2HD2 ASN 11 -1.688 14.118 28.638 34 H LEU 12 H LEU 12 2.710 12.801 24.693 35 HA LEU 12 HA LEU 12 1.414 13.219 22.156 36 HB2 LEU 12 2HB LEU 12 2.882 11.423 21.308 37 HB3 LEU 12 1HB LEU 12 3.734 12.788 21.986 38 HG LEU 12 HG LEU 12 3.904 11.373 24.085 39 HD11 LEU 12 1HD1 LEU 12 4.014 8.947 23.776 40 HD12 LEU 12 2HD1 LEU 12 3.320 9.151 22.168 41 HD13 LEU 12 3HD1 LEU 12 2.389 9.605 23.591 42 HD21 LEU 12 1HD2 LEU 12 5.464 10.652 21.616 43 HD22 LEU 12 2HD2 LEU 12 5.956 10.277 23.268 44 HD23 LEU 12 3HD2 LEU 12 5.815 11.957 22.751 45 H TYR 13 H TYR 13 0.655 11.373 20.981 46 HA TYR 13 HA TYR 13 -0.841 9.521 22.639 47 HB2 TYR 13 2HB TYR 13 -2.016 11.546 20.805 48 HB3 TYR 13 1HB TYR 13 -2.778 9.966 20.894 49 HD1 TYR 13 1HD TYR 13 -4.193 9.419 22.633 50 HD2 TYR 13 2HD TYR 13 -1.749 12.877 22.979 51 HE1 TYR 13 1HE TYR 13 -5.400 10.051 24.665 52 HE2 TYR 13 2HE TYR 13 -2.953 13.526 25.022 53 HH TYR 13 HH TYR 13 -5.065 13.120 26.076 54 H PHE 14 H PHE 14 -1.252 7.628 21.809 55 HA PHE 14 HA PHE 14 -0.704 7.124 18.985 56 HB2 PHE 14 2HB PHE 14 0.017 5.316 21.322 57 HB3 PHE 14 1HB PHE 14 0.017 4.795 19.646 58 HD1 PHE 14 1HD PHE 14 1.929 6.228 22.271 59 HD2 PHE 14 2HD PHE 14 1.569 6.049 18.035 60 HE1 PHE 14 1HE PHE 14 4.265 6.956 22.043 61 HE2 PHE 14 2HE PHE 14 3.906 6.781 17.801 62 HZ PHE 14 HZ PHE 14 5.256 7.233 19.810 63 H GLN 15 H GLN 15 -2.637 6.793 18.165 64 HA GLN 15 HA GLN 15 -4.503 5.065 19.591 65 HB2 GLN 15 2HB GLN 15 -5.201 7.675 18.203 66 HB3 GLN 15 1HB GLN 15 -6.368 6.518 18.821 67 HG2 GLN 15 2HG GLN 15 -5.568 6.922 21.092 68 HG3 GLN 15 1HG GLN 15 -4.384 8.062 20.458 69 HE21 GLN 15 1HE2 GLN 15 -7.744 7.471 21.078 70 HE22 GLN 15 2HE2 GLN 15 -8.288 9.086 20.888 71 H GLY 16 H GLY 16 -6.159 4.299 18.005 72 HA2 GLY 16 2HA GLY 16 -4.802 3.235 15.725 73 HA3 GLY 16 1HA GLY 16 -6.484 2.955 16.173 74 H HIS 17 H HIS 17 -4.290 4.985 14.508 75 HA HIS 17 HA HIS 17 -6.440 6.594 13.383 76 HB2 HIS 17 2HB HIS 17 -3.431 6.837 13.092 77 HB3 HIS 17 1HB HIS 17 -4.589 7.902 12.319 78 HD1 HIS 17 1HD HIS 17 -2.603 9.303 14.051 79 HD2 HIS 17 2HD HIS 17 -6.130 7.709 15.573 80 HE1 HIS 17 1HE HIS 17 -3.052 10.520 16.202 81 H MET 18 H MET 18 -6.649 6.796 11.118 82 HA MET 18 HA MET 18 -6.070 4.377 9.646 83 HB2 MET 18 2HB MET 18 -8.191 5.928 9.492 84 HB3 MET 18 1HB MET 18 -7.181 6.923 8.449 85 HG2 MET 18 2HG MET 18 -8.606 5.415 7.172 86 HG3 MET 18 1HG MET 18 -6.903 5.045 6.909 87 HE1 MET 18 1HE MET 18 -8.472 1.459 6.779 88 HE2 MET 18 2HE MET 18 -7.416 2.613 5.969 89 HE3 MET 18 3HE MET 18 -9.138 2.943 6.104 90 H ALA 19 H ALA 19 -5.141 4.980 7.233 91 HA ALA 19 HA ALA 19 -2.539 5.018 7.209 92 HB1 ALA 19 1HB ALA 19 -3.921 4.886 5.186 93 HB2 ALA 19 2HB ALA 19 -2.497 5.904 4.967 94 HB3 ALA 19 3HB ALA 19 -4.079 6.640 5.202 95 H ALA 20 H ALA 20 -1.359 6.091 8.563 96 HA ALA 20 HA ALA 20 -1.279 9.029 8.548 97 HB1 ALA 20 1HB ALA 20 -0.302 8.779 10.794 98 HB2 ALA 20 2HB ALA 20 -0.412 7.027 10.645 99 HB3 ALA 20 3HB ALA 20 -1.882 7.996 10.712 100 HA PRO 21 HA PRO 21 2.965 8.578 7.166 101 HB2 PRO 21 2HB PRO 21 3.881 10.603 9.087 102 HB3 PRO 21 1HB PRO 21 3.880 10.692 7.316 103 HG2 PRO 21 2HG PRO 21 2.239 12.182 8.779 104 HG3 PRO 21 1HG PRO 21 1.767 11.510 7.193 105 HD2 PRO 21 2HD PRO 21 1.034 10.567 9.931 106 HD3 PRO 21 1HD PRO 21 0.025 10.701 8.472 107 H ALA 22 H ALA 22 3.013 6.596 8.156 108 HA ALA 22 HA ALA 22 4.314 6.427 10.772 109 HB1 ALA 22 1HB ALA 22 3.092 4.258 9.057 110 HB2 ALA 22 2HB ALA 22 2.317 5.038 10.437 111 HB3 ALA 22 3HB ALA 22 3.740 4.023 10.677 112 H ARG 23 H ARG 23 5.148 6.947 8.040 113 HA ARG 23 HA ARG 23 6.870 6.760 6.592 114 HB2 ARG 23 2HB ARG 23 8.432 6.444 9.139 115 HB3 ARG 23 1HB ARG 23 9.073 6.982 7.587 116 HG2 ARG 23 2HG ARG 23 7.412 8.862 7.668 117 HG3 ARG 23 1HG ARG 23 7.067 8.383 9.327 118 HD2 ARG 23 2HD ARG 23 8.644 10.132 9.455 119 HD3 ARG 23 1HD ARG 23 9.521 8.642 9.783 120 HE ARG 23 HE ARG 23 9.510 9.670 7.067 121 HH11 ARG 23 1HH1 ARG 23 11.273 9.178 10.072 122 HH12 ARG 23 2HH1 ARG 23 12.812 9.493 9.416 123 HH21 ARG 23 1HH2 ARG 23 11.653 10.149 6.131 124 HH22 ARG 23 2HH2 ARG 23 13.016 10.058 7.140 125 H SER 24 H SER 24 5.553 4.310 6.768 126 HA SER 24 HA SER 24 7.569 2.679 5.524 127 HB2 SER 24 2HB SER 24 5.945 1.722 7.879 128 HB3 SER 24 1HB SER 24 6.919 0.664 6.860 129 HG SER 24 HG SER 24 8.125 2.903 7.969 130 H CYS 25 H CYS 25 6.615 1.488 3.868 131 HA CYS 25 HA CYS 25 3.705 1.609 3.642 132 HB2 CYS 25 2HB CYS 25 5.889 1.280 1.568 133 HB3 CYS 25 1HB CYS 25 4.162 1.086 1.233 134 H VAL 26 H VAL 26 2.673 -0.273 3.674 135 HA VAL 26 HA VAL 26 4.313 -2.684 3.971 136 HB VAL 26 HB VAL 26 1.447 -2.341 4.926 137 HG11 VAL 26 1HG1 VAL 26 2.410 -4.575 4.933 138 HG12 VAL 26 2HG1 VAL 26 2.077 -3.920 6.556 139 HG13 VAL 26 3HG1 VAL 26 3.730 -3.949 5.944 140 HG21 VAL 26 1HG2 VAL 26 2.257 -1.636 7.022 141 HG22 VAL 26 2HG2 VAL 26 2.614 -0.493 5.724 142 HG23 VAL 26 3HG2 VAL 26 3.902 -1.527 6.361 143 H TYR 27 H TYR 27 4.142 -4.049 2.356 144 HA TYR 27 HA TYR 27 2.108 -3.526 0.352 145 HB2 TYR 27 2HB TYR 27 4.676 -5.120 0.190 146 HB3 TYR 27 1HB TYR 27 3.514 -4.957 -1.126 147 HD1 TYR 27 1HD TYR 27 3.774 -3.211 -2.655 148 HD2 TYR 27 2HD TYR 27 5.545 -2.850 1.190 149 HE1 TYR 27 1HE TYR 27 4.809 -1.065 -3.315 150 HE2 TYR 27 2HE TYR 27 6.565 -0.734 0.542 151 HH TYR 27 HH TYR 27 7.235 0.438 -1.538 152 H TYR 28 H TYR 28 0.522 -4.764 -0.012 153 HA TYR 28 HA TYR 28 0.410 -7.430 1.167 154 HB2 TYR 28 2HB TYR 28 -1.753 -5.355 0.819 155 HB3 TYR 28 1HB TYR 28 -2.014 -7.034 1.268 156 HD1 TYR 28 1HD TYR 28 -1.778 -7.735 3.526 157 HD2 TYR 28 2HD TYR 28 -0.624 -3.777 2.449 158 HE1 TYR 28 1HE TYR 28 -1.687 -7.137 5.875 159 HE2 TYR 28 2HE TYR 28 -0.523 -3.174 4.793 160 HH TYR 28 HH TYR 28 -1.389 -3.835 6.876 161 H ASP 29 H ASP 29 -0.441 -8.934 -0.111 162 HA ASP 29 HA ASP 29 -1.050 -8.323 -2.934 163 HB2 ASP 29 2HB ASP 29 0.489 -10.167 -2.372 164 HB3 ASP 29 1HB ASP 29 -0.784 -10.893 -1.402 165 H GLY 30 H GLY 30 -3.168 -7.709 -3.051 166 HA2 GLY 30 2HA GLY 30 -5.145 -9.594 -2.326 167 HA3 GLY 30 1HA GLY 30 -5.184 -8.273 -1.191 168 H HIS 31 H HIS 31 -6.846 -9.340 -3.298 169 HA HIS 31 HA HIS 31 -7.084 -7.397 -5.406 170 HB2 HIS 31 2HB HIS 31 -9.204 -9.340 -4.419 171 HB3 HIS 31 1HB HIS 31 -9.094 -8.612 -6.027 172 HD1 HIS 31 1HD HIS 31 -8.691 -11.761 -4.582 173 HD2 HIS 31 2HD HIS 31 -6.300 -9.487 -7.114 174 HE1 HIS 31 1HE HIS 31 -7.087 -13.367 -5.666 175 H LEU 32 H LEU 32 -8.772 -8.209 -2.453 176 HA LEU 32 HA LEU 32 -9.870 -5.484 -2.243 177 HB2 LEU 32 2HB LEU 32 -10.978 -8.134 -1.264 178 HB3 LEU 32 1HB LEU 32 -11.582 -6.597 -0.715 179 HG LEU 32 HG LEU 32 -13.123 -7.445 -2.218 180 HD11 LEU 32 1HD1 LEU 32 -11.521 -5.362 -3.655 181 HD12 LEU 32 2HD1 LEU 32 -12.814 -5.106 -2.480 182 HD13 LEU 32 3HD1 LEU 32 -13.176 -5.819 -4.051 183 HD21 LEU 32 1HD2 LEU 32 -11.830 -9.145 -3.347 184 HD22 LEU 32 2HD2 LEU 32 -10.932 -7.906 -4.228 185 HD23 LEU 32 3HD2 LEU 32 -12.654 -8.127 -4.531 186 HA PRO 33 HA PRO 33 -7.566 -5.377 1.613 187 HB2 PRO 33 2HB PRO 33 -9.443 -4.322 3.367 188 HB3 PRO 33 1HB PRO 33 -8.419 -3.356 2.290 189 HG2 PRO 33 2HG PRO 33 -11.250 -4.127 1.974 190 HG3 PRO 33 1HG PRO 33 -10.411 -2.652 1.466 191 HD2 PRO 33 2HD PRO 33 -11.094 -4.607 -0.276 192 HD3 PRO 33 1HD PRO 33 -9.663 -3.572 -0.482 193 H ALA 34 H ALA 34 -10.520 -7.051 1.329 194 HA ALA 34 HA ALA 34 -10.392 -8.497 3.800 195 HB1 ALA 34 1HB ALA 34 -12.499 -8.200 2.584 196 HB2 ALA 34 2HB ALA 34 -12.121 -9.911 2.789 197 HB3 ALA 34 3HB ALA 34 -11.851 -9.128 1.234 198 H THR 35 H THR 35 -8.658 -8.646 0.899 199 HA THR 35 HA THR 35 -7.923 -11.458 1.390 200 HB THR 35 HB THR 35 -7.355 -11.553 -1.061 201 HG1 THR 35 1HG THR 35 -7.887 -8.965 -0.867 202 HG21 THR 35 1HG2 THR 35 -10.230 -10.928 -0.369 203 HG22 THR 35 2HG2 THR 35 -9.440 -12.490 -0.159 204 HG23 THR 35 3HG2 THR 35 -9.676 -11.834 -1.778 205 H ARG 36 H ARG 36 -6.770 -8.554 1.944 206 HA ARG 36 HA ARG 36 -4.266 -8.450 0.680 207 HB2 ARG 36 2HB ARG 36 -3.674 -6.723 2.374 208 HB3 ARG 36 1HB ARG 36 -5.175 -6.422 1.521 209 HG2 ARG 36 2HG ARG 36 -6.407 -7.232 3.504 210 HG3 ARG 36 1HG ARG 36 -4.867 -7.449 4.334 211 HD2 ARG 36 2HD ARG 36 -4.429 -5.094 4.289 212 HD3 ARG 36 1HD ARG 36 -5.775 -4.807 3.181 213 HE ARG 36 HE ARG 36 -6.739 -6.016 5.502 214 HH11 ARG 36 1HH1 ARG 36 -5.371 -2.820 4.586 215 HH12 ARG 36 2HH1 ARG 36 -6.318 -1.985 5.695 216 HH21 ARG 36 1HH2 ARG 36 -7.971 -4.819 7.025 217 HH22 ARG 36 2HH2 ARG 36 -7.838 -3.118 7.129 218 H VAL 37 H VAL 37 -2.626 -9.687 0.823 219 HA VAL 37 HA VAL 37 -2.099 -11.265 3.240 220 HB VAL 37 HB VAL 37 -0.969 -11.498 0.434 221 HG11 VAL 37 1HG1 VAL 37 0.577 -12.366 2.087 222 HG12 VAL 37 2HG1 VAL 37 -0.109 -13.677 1.126 223 HG13 VAL 37 3HG1 VAL 37 -0.697 -13.384 2.762 224 HG21 VAL 37 1HG2 VAL 37 -2.345 -13.506 0.211 225 HG22 VAL 37 2HG2 VAL 37 -3.319 -12.055 0.450 226 HG23 VAL 37 3HG2 VAL 37 -3.069 -13.180 1.788 227 H LEU 38 H LEU 38 -0.378 -10.754 4.452 228 HA LEU 38 HA LEU 38 1.024 -8.331 4.007 229 HB2 LEU 38 2HB LEU 38 0.388 -9.395 6.220 230 HB3 LEU 38 1HB LEU 38 1.637 -10.572 5.945 231 HG LEU 38 HG LEU 38 2.232 -8.855 7.599 232 HD11 LEU 38 1HD1 LEU 38 3.982 -8.726 5.156 233 HD12 LEU 38 2HD1 LEU 38 4.070 -9.931 6.439 234 HD13 LEU 38 3HD1 LEU 38 4.452 -8.246 6.786 235 HD21 LEU 38 1HD2 LEU 38 2.089 -6.936 5.305 236 HD22 LEU 38 2HD2 LEU 38 2.715 -6.578 6.917 237 HD23 LEU 38 3HD2 LEU 38 1.016 -6.998 6.703 238 H LEU 39 H LEU 39 2.534 -8.170 2.426 239 HA LEU 39 HA LEU 39 4.138 -10.496 1.728 240 HB2 LEU 39 2HB LEU 39 4.041 -7.730 0.533 241 HB3 LEU 39 1HB LEU 39 4.998 -9.056 -0.088 242 HG LEU 39 HG LEU 39 1.982 -8.986 0.026 243 HD11 LEU 39 1HD1 LEU 39 2.137 -8.796 -2.410 244 HD12 LEU 39 2HD1 LEU 39 3.893 -8.715 -2.288 245 HD13 LEU 39 3HD1 LEU 39 2.903 -7.426 -1.606 246 HD21 LEU 39 1HD2 LEU 39 3.905 -10.975 -1.151 247 HD22 LEU 39 2HD2 LEU 39 2.147 -11.016 -1.341 248 HD23 LEU 39 3HD2 LEU 39 2.872 -11.231 0.257 249 H MET 40 H MET 40 4.845 -7.052 2.431 250 HA MET 40 HA MET 40 6.953 -7.632 4.254 251 HB2 MET 40 2HB MET 40 7.807 -8.141 1.791 252 HB3 MET 40 1HB MET 40 7.885 -6.377 1.712 253 HG2 MET 40 2HG MET 40 9.287 -6.305 3.652 254 HG3 MET 40 1HG MET 40 9.079 -8.064 3.789 255 HE1 MET 40 1HE MET 40 11.464 -5.942 0.442 256 HE2 MET 40 2HE MET 40 10.734 -5.105 1.814 257 HE3 MET 40 3HE MET 40 9.708 -5.865 0.599 258 H TYR 41 H TYR 41 7.868 -5.754 5.072 259 HA TYR 41 HA TYR 41 6.357 -3.267 4.693 260 HB2 TYR 41 2HB TYR 41 8.344 -4.176 6.798 261 HB3 TYR 41 1HB TYR 41 7.654 -2.568 6.739 262 HD1 TYR 41 1HD TYR 41 5.729 -2.111 7.925 263 HD2 TYR 41 2HD TYR 41 6.651 -6.172 7.067 264 HE1 TYR 41 1HE TYR 41 3.885 -2.848 9.376 265 HE2 TYR 41 2HE TYR 41 4.804 -6.901 8.515 266 HH TYR 41 HH TYR 41 2.416 -4.774 9.602 267 H VAL 42 H VAL 42 7.341 -1.460 3.867 268 HA VAL 42 HA VAL 42 10.239 -1.545 3.363 269 HB VAL 42 HB VAL 42 8.172 -0.258 1.574 270 HG11 VAL 42 1HG1 VAL 42 10.043 0.055 0.010 271 HG12 VAL 42 2HG1 VAL 42 11.148 -0.621 1.204 272 HG13 VAL 42 3HG1 VAL 42 10.315 0.899 1.535 273 HG21 VAL 42 1HG2 VAL 42 9.770 -2.784 1.158 274 HG22 VAL 42 2HG2 VAL 42 8.719 -2.014 -0.042 275 HG23 VAL 42 3HG2 VAL 42 8.032 -2.675 1.441 276 H ARG 43 H ARG 43 11.255 0.223 4.228 277 HA ARG 43 HA ARG 43 9.778 2.094 5.802 278 HB2 ARG 43 2HB ARG 43 12.256 1.021 5.912 279 HB3 ARG 43 1HB ARG 43 12.635 2.537 5.118 280 HG2 ARG 43 2HG ARG 43 12.980 2.664 7.512 281 HG3 ARG 43 1HG ARG 43 11.670 3.746 7.018 282 HD2 ARG 43 2HD ARG 43 10.035 2.413 7.935 283 HD3 ARG 43 1HD ARG 43 11.021 0.960 7.860 284 HE ARG 43 HE ARG 43 12.285 2.577 9.624 285 HH11 ARG 43 1HH1 ARG 43 8.893 1.567 9.490 286 HH12 ARG 43 2HH1 ARG 43 8.745 1.277 11.164 287 HH21 ARG 43 1HH2 ARG 43 12.117 2.088 11.893 288 HH22 ARG 43 2HH2 ARG 43 10.637 1.574 12.573 289 H ILE 44 H ILE 44 9.322 4.137 5.276 290 HA ILE 44 HA ILE 44 9.256 4.999 2.555 291 HB ILE 44 HB ILE 44 9.116 6.857 4.946 292 HG12 ILE 44 2HG1 ILE 44 7.331 5.224 4.830 293 HG13 ILE 44 1HG1 ILE 44 6.719 6.878 4.655 294 HG21 ILE 44 1HG2 ILE 44 8.118 8.521 3.441 295 HG22 ILE 44 2HG2 ILE 44 8.418 7.453 2.073 296 HG23 ILE 44 3HG2 ILE 44 9.775 8.116 2.982 297 HD11 ILE 44 1HD1 ILE 44 7.035 4.775 2.529 298 HD12 ILE 44 2HD1 ILE 44 6.441 6.431 2.264 299 HD13 ILE 44 3HD1 ILE 44 5.550 5.322 3.291 300 H GLY 45 H GLY 45 10.719 5.576 1.332 301 HA2 GLY 45 2HA GLY 45 12.381 7.248 0.735 302 HA3 GLY 45 1HA GLY 45 13.088 7.011 2.335 303 H ASN 46 H ASN 46 12.238 4.065 1.665 304 HA ASN 46 HA ASN 46 14.841 3.394 0.486 305 HB2 ASN 46 2HB ASN 46 14.529 2.751 2.743 306 HB3 ASN 46 1HB ASN 46 13.035 1.892 2.283 307 HD21 ASN 46 1HD2 ASN 46 13.878 -0.140 3.089 308 HD22 ASN 46 2HD2 ASN 46 15.184 -0.935 2.304 309 H THR 47 H THR 47 14.906 1.569 -0.781 310 HA THR 47 HA THR 47 12.481 1.075 -2.376 311 HB THR 47 HB THR 47 13.999 0.257 -4.077 312 HG1 THR 47 1HG THR 47 16.042 0.043 -3.646 313 HG21 THR 47 1HG2 THR 47 13.174 2.527 -4.319 314 HG22 THR 47 2HG2 THR 47 14.847 2.477 -4.869 315 HG23 THR 47 3HG2 THR 47 14.461 3.140 -3.282 316 H ALA 48 H ALA 48 12.145 -1.033 -3.015 317 HA ALA 48 HA ALA 48 13.700 -3.130 -1.751 318 HB1 ALA 48 1HB ALA 48 10.822 -2.789 -0.935 319 HB2 ALA 48 2HB ALA 48 12.226 -2.469 0.088 320 HB3 ALA 48 3HB ALA 48 11.893 -4.106 -0.466 321 H THR 49 H THR 49 13.313 -5.149 -2.526 322 HA THR 49 HA THR 49 11.739 -5.273 -4.987 323 HB THR 49 HB THR 49 13.910 -7.141 -3.978 324 HG1 THR 49 1HG THR 49 14.828 -5.784 -5.975 325 HG21 THR 49 1HG2 THR 49 12.399 -8.083 -5.671 326 HG22 THR 49 2HG2 THR 49 14.018 -7.838 -6.330 327 HG23 THR 49 3HG2 THR 49 12.722 -6.708 -6.726 328 H ILE 50 H ILE 50 9.823 -6.180 -4.750 329 HA ILE 50 HA ILE 50 9.251 -8.116 -2.552 330 HB ILE 50 HB ILE 50 7.224 -6.934 -4.429 331 HG12 ILE 50 2HG1 ILE 50 8.438 -4.984 -3.564 332 HG13 ILE 50 1HG1 ILE 50 6.783 -5.059 -2.945 333 HG21 ILE 50 1HG2 ILE 50 7.058 -7.843 -1.565 334 HG22 ILE 50 2HG2 ILE 50 6.500 -8.724 -2.986 335 HG23 ILE 50 3HG2 ILE 50 5.710 -7.219 -2.512 336 HD11 ILE 50 1HD1 ILE 50 9.284 -5.867 -1.531 337 HD12 ILE 50 2HD1 ILE 50 7.642 -5.972 -0.869 338 HD13 ILE 50 3HD1 ILE 50 8.358 -4.380 -1.240 339 H THR 51 H THR 51 9.489 -10.225 -3.349 340 HA THR 51 HA THR 51 8.630 -10.637 -6.111 341 HB THR 51 HB THR 51 9.307 -12.753 -4.072 342 HG1 THR 51 1HG THR 51 10.992 -11.052 -4.598 343 HG21 THR 51 1HG2 THR 51 9.842 -14.107 -6.073 344 HG22 THR 51 2HG2 THR 51 9.403 -12.742 -7.097 345 HG23 THR 51 3HG2 THR 51 8.177 -13.528 -6.109 346 H ALA 52 H ALA 52 6.539 -10.953 -6.517 347 HA ALA 52 HA ALA 52 4.853 -12.349 -4.608 348 HB1 ALA 52 1HB ALA 52 3.094 -10.583 -4.862 349 HB2 ALA 52 2HB ALA 52 4.293 -9.568 -5.675 350 HB3 ALA 52 3HB ALA 52 4.526 -10.039 -3.996 351 H ARG 53 H ARG 53 3.859 -13.811 -5.683 352 HA ARG 53 HA ARG 53 2.975 -15.107 -7.272 353 HB2 ARG 53 2HB ARG 53 2.286 -12.511 -8.669 354 HB3 ARG 53 1HB ARG 53 1.574 -14.095 -9.014 355 HG2 ARG 53 2HG ARG 53 0.677 -14.135 -6.711 356 HG3 ARG 53 1HG ARG 53 1.310 -12.495 -6.482 357 HD2 ARG 53 2HD ARG 53 -0.060 -11.778 -8.426 358 HD3 ARG 53 1HD ARG 53 -0.774 -13.389 -8.460 359 HE ARG 53 HE ARG 53 -0.942 -12.058 -5.915 360 HH11 ARG 53 1HH1 ARG 53 -2.515 -12.414 -9.060 361 HH12 ARG 53 2HH1 ARG 53 -4.085 -12.103 -8.486 362 HH21 ARG 53 1HH2 ARG 53 -3.042 -11.554 -5.129 363 HH22 ARG 53 2HH2 ARG 53 -4.410 -11.583 -6.180 364 H GLY 54 H GLY 54 5.681 -14.226 -7.425 365 HA2 GLY 54 2HA GLY 54 7.454 -15.016 -8.750 366 HA3 GLY 54 1HA GLY 54 6.316 -15.268 -10.074 367 H HIS 55 H HIS 55 5.814 -12.189 -8.918 368 HA HIS 55 HA HIS 55 7.656 -11.090 -10.930 369 HB2 HIS 55 2HB HIS 55 5.143 -9.902 -9.726 370 HB3 HIS 55 1HB HIS 55 6.231 -9.054 -10.823 371 HD1 HIS 55 1HD HIS 55 5.821 -9.396 -13.312 372 HD2 HIS 55 2HD HIS 55 3.609 -11.959 -10.900 373 HE1 HIS 55 1HE HIS 55 4.111 -10.480 -14.817 374 H GLU 56 H GLU 56 9.321 -9.959 -10.167 375 HA GLU 56 HA GLU 56 9.339 -9.174 -7.386 376 HB2 GLU 56 2HB GLU 56 11.392 -9.359 -9.524 377 HB3 GLU 56 1HB GLU 56 11.671 -8.234 -8.207 378 HG2 GLU 56 2HG GLU 56 11.810 -9.847 -6.648 379 HG3 GLU 56 1HG GLU 56 10.883 -11.030 -7.533 380 H PHE 57 H PHE 57 8.561 -7.312 -6.831 381 HA PHE 57 HA PHE 57 8.367 -5.188 -8.807 382 HB2 PHE 57 2HB PHE 57 7.029 -5.594 -6.127 383 HB3 PHE 57 1HB PHE 57 6.747 -4.219 -7.200 384 HD1 PHE 57 1HD PHE 57 5.825 -4.738 -9.531 385 HD2 PHE 57 2HD PHE 57 5.765 -7.526 -6.317 386 HE1 PHE 57 1HE PHE 57 4.038 -5.990 -10.654 387 HE2 PHE 57 2HE PHE 57 3.974 -8.780 -7.448 388 HZ PHE 57 HZ PHE 57 3.111 -8.015 -9.601 389 H GLU 58 H GLU 58 10.246 -4.051 -8.715 390 HA GLU 58 HA GLU 58 11.402 -3.595 -6.085 391 HB2 GLU 58 2HB GLU 58 12.845 -4.202 -8.135 392 HB3 GLU 58 1HB GLU 58 12.420 -2.612 -8.773 393 HG2 GLU 58 2HG GLU 58 13.412 -1.593 -6.759 394 HG3 GLU 58 1HG GLU 58 13.892 -3.229 -6.302 395 H VAL 59 H VAL 59 10.504 -2.048 -5.079 396 HA VAL 59 HA VAL 59 9.159 0.170 -6.526 397 HB VAL 59 HB VAL 59 7.795 0.408 -4.458 398 HG11 VAL 59 1HG1 VAL 59 7.675 -2.275 -5.826 399 HG12 VAL 59 2HG1 VAL 59 6.737 -0.804 -6.208 400 HG13 VAL 59 3HG1 VAL 59 6.459 -1.674 -4.708 401 HG21 VAL 59 1HG2 VAL 59 7.799 -1.383 -2.853 402 HG22 VAL 59 2HG2 VAL 59 9.395 -0.570 -3.001 403 HG23 VAL 59 3HG2 VAL 59 9.128 -2.152 -3.759 404 H GLU 60 H GLU 60 9.002 2.100 -5.387 405 HA GLU 60 HA GLU 60 11.253 2.651 -3.613 406 HB2 GLU 60 2HB GLU 60 11.658 3.548 -5.855 407 HB3 GLU 60 1HB GLU 60 10.088 4.363 -5.836 408 HG2 GLU 60 2HG GLU 60 10.882 5.807 -4.039 409 HG3 GLU 60 1HG GLU 60 12.433 4.958 -4.035 410 H ALA 61 H ALA 61 10.208 2.759 -1.732 411 HA ALA 61 HA ALA 61 7.498 3.783 -1.625 412 HB1 ALA 61 1HB ALA 61 9.389 3.090 0.644 413 HB2 ALA 61 2HB ALA 61 8.168 2.016 -0.034 414 HB3 ALA 61 3HB ALA 61 7.678 3.474 0.825 415 H LYS 62 H LYS 62 7.716 5.734 -2.443 416 HA LYS 62 HA LYS 62 9.710 7.553 -1.499 417 HB2 LYS 62 2HB LYS 62 8.822 9.083 -3.202 418 HB3 LYS 62 1HB LYS 62 9.289 7.510 -3.831 419 HG2 LYS 62 2HG LYS 62 6.877 6.865 -3.671 420 HG3 LYS 62 1HG LYS 62 6.517 8.572 -3.350 421 HD2 LYS 62 2HD LYS 62 7.841 7.428 -5.812 422 HD3 LYS 62 1HD LYS 62 6.205 8.080 -5.714 423 HE2 LYS 62 2HE LYS 62 7.120 10.285 -5.182 424 HE3 LYS 62 1HE LYS 62 8.752 9.630 -5.281 425 HZ1 LYS 62 1HZ LYS 62 8.309 9.076 -7.619 426 HZ2 LYS 62 2HZ LYS 62 8.213 10.715 -7.305 427 HZ3 LYS 62 3HZ LYS 62 6.800 9.835 -7.511 428 H ASP 63 H ASP 63 6.224 7.249 -0.939 429 HA ASP 63 HA ASP 63 6.451 9.392 0.987 430 HB2 ASP 63 2HB ASP 63 5.779 10.580 -1.064 431 HB3 ASP 63 1HB ASP 63 4.431 9.468 -1.274 432 H GLN 64 H GLN 64 4.678 9.435 2.406 433 HA GLN 64 HA GLN 64 3.831 6.914 3.241 434 HB2 GLN 64 2HB GLN 64 2.531 8.217 4.976 435 HB3 GLN 64 1HB GLN 64 4.270 8.414 4.938 436 HG2 GLN 64 2HG GLN 64 3.428 10.559 5.312 437 HG3 GLN 64 1HG GLN 64 3.856 10.533 3.614 438 HE21 GLN 64 1HE2 GLN 64 2.171 10.753 2.037 439 HE22 GLN 64 2HE2 GLN 64 0.590 11.197 2.538 440 H ASN 65 H ASN 65 2.458 8.742 0.841 441 HA ASN 65 HA ASN 65 -0.251 7.958 1.085 442 HB2 ASN 65 2HB ASN 65 0.360 9.644 -0.552 443 HB3 ASN 65 1HB ASN 65 1.449 8.509 -1.367 444 HD21 ASN 65 1HD2 ASN 65 -1.886 9.471 -0.900 445 HD22 ASN 65 2HD2 ASN 65 -2.526 8.486 -2.160 446 H CYS 66 H CYS 66 2.649 6.402 0.024 447 HA CYS 66 HA CYS 66 3.246 4.360 -0.474 448 HB2 CYS 66 2HB CYS 66 0.842 3.718 1.207 449 HB3 CYS 66 1HB CYS 66 1.973 2.486 0.615 450 H LYS 67 H LYS 67 1.615 5.636 -2.463 451 HA LYS 67 HA LYS 67 0.202 3.732 -3.813 452 HB2 LYS 67 2HB LYS 67 0.430 6.228 -4.222 453 HB3 LYS 67 1HB LYS 67 1.961 5.870 -5.003 454 HG2 LYS 67 2HG LYS 67 0.302 6.110 -6.699 455 HG3 LYS 67 1HG LYS 67 0.711 4.402 -6.573 456 HD2 LYS 67 2HD LYS 67 -1.323 5.203 -4.759 457 HD3 LYS 67 1HD LYS 67 -1.866 5.426 -6.446 458 HE2 LYS 67 2HE LYS 67 -1.086 3.001 -6.778 459 HE3 LYS 67 1HE LYS 67 -0.899 2.948 -5.027 460 HZ1 LYS 67 1HZ LYS 67 -3.446 3.495 -6.450 461 HZ2 LYS 67 2HZ LYS 67 -3.290 3.315 -4.779 462 HZ3 LYS 67 3HZ LYS 67 -3.034 2.008 -5.818 463 H VAL 68 H VAL 68 0.971 2.035 -4.982 464 HA VAL 68 HA VAL 68 3.733 1.433 -4.801 465 HB VAL 68 HB VAL 68 2.283 -0.475 -4.678 466 HG11 VAL 68 1HG1 VAL 68 0.955 -1.287 -6.561 467 HG12 VAL 68 2HG1 VAL 68 1.398 0.141 -7.495 468 HG13 VAL 68 3HG1 VAL 68 0.414 0.309 -6.040 469 HG21 VAL 68 1HG2 VAL 68 3.357 -1.941 -6.334 470 HG22 VAL 68 2HG2 VAL 68 4.521 -0.818 -5.638 471 HG23 VAL 68 3HG2 VAL 68 3.876 -0.534 -7.242 472 H ILE 69 H ILE 69 5.138 2.412 -5.798 473 HA ILE 69 HA ILE 69 4.873 2.855 -8.671 474 HB ILE 69 HB ILE 69 6.156 4.682 -6.596 475 HG12 ILE 69 2HG1 ILE 69 3.887 5.218 -8.507 476 HG13 ILE 69 1HG1 ILE 69 3.652 4.661 -6.858 477 HG21 ILE 69 1HG2 ILE 69 7.489 4.613 -8.663 478 HG22 ILE 69 2HG2 ILE 69 6.677 6.170 -8.483 479 HG23 ILE 69 3HG2 ILE 69 6.043 4.966 -9.606 480 HD11 ILE 69 1HD1 ILE 69 4.680 6.705 -6.030 481 HD12 ILE 69 2HD1 ILE 69 3.326 7.075 -7.098 482 HD13 ILE 69 3HD1 ILE 69 4.984 7.237 -7.682 483 H LEU 70 H LEU 70 6.294 1.747 -9.684 484 HA LEU 70 HA LEU 70 8.289 0.311 -8.218 485 HB2 LEU 70 2HB LEU 70 7.658 0.323 -11.157 486 HB3 LEU 70 1HB LEU 70 8.906 -0.653 -10.433 487 HG LEU 70 HG LEU 70 7.031 -2.081 -10.812 488 HD11 LEU 70 1HD1 LEU 70 7.165 -1.432 -7.953 489 HD12 LEU 70 2HD1 LEU 70 8.153 -2.590 -8.851 490 HD13 LEU 70 3HD1 LEU 70 6.413 -2.851 -8.672 491 HD21 LEU 70 1HD2 LEU 70 5.407 -0.202 -10.959 492 HD22 LEU 70 2HD2 LEU 70 5.267 -0.319 -9.192 493 HD23 LEU 70 3HD2 LEU 70 4.881 -1.706 -10.239 494 H THR 71 H THR 71 10.359 0.264 -8.770 495 HA THR 71 HA THR 71 11.632 2.813 -8.976 496 HB THR 71 HB THR 71 13.785 1.587 -9.195 497 HG1 THR 71 1HG THR 71 13.633 -0.714 -9.070 498 HG21 THR 71 1HG2 THR 71 12.749 2.019 -7.029 499 HG22 THR 71 2HG2 THR 71 13.611 0.463 -7.031 500 HG23 THR 71 3HG2 THR 71 11.846 0.510 -7.179 501 H ASN 72 H ASN 72 10.681 0.552 -11.324 502 HA ASN 72 HA ASN 72 12.271 1.640 -13.467 503 HB2 ASN 72 2HB ASN 72 9.872 -0.205 -13.631 504 HB3 ASN 72 1HB ASN 72 10.902 0.249 -14.996 505 HD21 ASN 72 1HD2 ASN 72 10.447 -1.925 -12.368 506 HD22 ASN 72 2HD2 ASN 72 11.920 -2.772 -12.552 507 H GLY 73 H GLY 73 9.640 2.697 -11.809 508 HA2 GLY 73 2HA GLY 73 8.562 4.724 -12.062 509 HA3 GLY 73 1HA GLY 73 9.205 4.839 -13.711 510 H LYS 74 H LYS 74 7.598 2.085 -12.396 511 HA LYS 74 HA LYS 74 5.475 2.360 -14.387 512 HB2 LYS 74 2HB LYS 74 6.644 -0.079 -13.073 513 HB3 LYS 74 1HB LYS 74 5.458 -0.052 -14.369 514 HG2 LYS 74 2HG LYS 74 8.154 1.175 -14.613 515 HG3 LYS 74 1HG LYS 74 7.893 -0.505 -15.003 516 HD2 LYS 74 2HD LYS 74 6.135 0.291 -16.651 517 HD3 LYS 74 1HD LYS 74 6.620 1.946 -16.271 518 HE2 LYS 74 2HE LYS 74 8.899 1.399 -17.015 519 HE3 LYS 74 1HE LYS 74 8.359 -0.213 -17.456 520 HZ1 LYS 74 1HZ LYS 74 8.406 1.212 -19.379 521 HZ2 LYS 74 2HZ LYS 74 7.411 2.336 -18.643 522 HZ3 LYS 74 3HZ LYS 74 6.793 0.823 -19.046 523 H GLN 75 H GLN 75 3.556 1.227 -13.846 524 HA GLN 75 HA GLN 75 2.685 1.479 -11.065 525 HB2 GLN 75 2HB GLN 75 1.180 0.944 -13.640 526 HB3 GLN 75 1HB GLN 75 0.429 0.940 -12.058 527 HG2 GLN 75 2HG GLN 75 0.940 3.294 -11.789 528 HG3 GLN 75 1HG GLN 75 1.772 3.301 -13.345 529 HE21 GLN 75 1HE2 GLN 75 -1.338 3.128 -11.755 530 HE22 GLN 75 2HE2 GLN 75 -2.279 3.405 -13.170 531 H ALA 76 H ALA 76 1.869 -0.332 -10.028 532 HA ALA 76 HA ALA 76 2.631 -2.918 -11.206 533 HB1 ALA 76 1HB ALA 76 2.676 -3.791 -8.914 534 HB2 ALA 76 2HB ALA 76 2.129 -2.250 -8.278 535 HB3 ALA 76 3HB ALA 76 3.719 -2.390 -8.991 536 HA PRO 77 HA PRO 77 -1.643 -4.324 -11.436 537 HB2 PRO 77 2HB PRO 77 -1.126 -6.309 -9.314 538 HB3 PRO 77 1HB PRO 77 -1.777 -6.546 -10.954 539 HG2 PRO 77 2HG PRO 77 0.640 -7.323 -10.449 540 HG3 PRO 77 1HG PRO 77 0.289 -6.420 -11.949 541 HD2 PRO 77 2HD PRO 77 1.528 -5.440 -9.426 542 HD3 PRO 77 1HD PRO 77 2.005 -5.122 -11.113 543 H ASP 78 H ASP 78 -3.612 -4.238 -10.441 544 HA ASP 78 HA ASP 78 -3.938 -2.363 -8.394 545 HB2 ASP 78 2HB ASP 78 -6.303 -2.788 -8.610 546 HB3 ASP 78 1HB ASP 78 -5.567 -2.806 -10.207 547 H TRP 79 H TRP 79 -3.629 -5.814 -8.303 548 HA TRP 79 HA TRP 79 -4.799 -6.104 -5.718 549 HB2 TRP 79 2HB TRP 79 -3.932 -8.440 -5.822 550 HB3 TRP 79 1HB TRP 79 -4.867 -7.966 -7.239 551 HD1 TRP 79 HD TRP 79 -3.775 -8.260 -9.485 552 HE1 TRP 79 1HE TRP 79 -1.484 -9.102 -10.325 553 HE3 TRP 79 3HE TRP 79 -1.246 -8.379 -5.032 554 HZ2 TRP 79 2HZ TRP 79 1.055 -9.680 -9.250 555 HZ3 TRP 79 3HZ TRP 79 1.102 -9.063 -5.041 556 HH2 TRP 79 HH TRP 79 2.225 -9.707 -7.101 557 H LEU 80 H LEU 80 -1.775 -4.981 -6.768 558 HA LEU 80 HA LEU 80 -0.430 -5.887 -4.374 559 HB2 LEU 80 2HB LEU 80 0.762 -5.844 -6.527 560 HB3 LEU 80 1HB LEU 80 0.525 -4.095 -6.614 561 HG LEU 80 HG LEU 80 1.918 -3.834 -4.605 562 HD11 LEU 80 1HD1 LEU 80 1.509 -5.988 -3.580 563 HD12 LEU 80 2HD1 LEU 80 3.253 -5.757 -3.863 564 HD13 LEU 80 3HD1 LEU 80 2.304 -6.786 -4.944 565 HD21 LEU 80 1HD2 LEU 80 2.909 -3.745 -6.856 566 HD22 LEU 80 2HD2 LEU 80 3.273 -5.465 -6.740 567 HD23 LEU 80 3HD2 LEU 80 4.041 -4.322 -5.637 568 H ALA 81 H ALA 81 -1.181 -4.858 -2.665 569 HA ALA 81 HA ALA 81 -1.760 -1.962 -2.963 570 HB1 ALA 81 1HB ALA 81 -2.872 -3.863 -0.930 571 HB2 ALA 81 2HB ALA 81 -3.738 -3.275 -2.364 572 HB3 ALA 81 3HB ALA 81 -3.261 -2.157 -1.077 573 H ALA 82 H ALA 82 -0.476 -0.598 -1.933 574 HA ALA 82 HA ALA 82 0.868 -1.624 0.453 575 HB1 ALA 82 1HB ALA 82 2.555 0.111 0.120 576 HB2 ALA 82 2HB ALA 82 1.702 0.682 -1.313 577 HB3 ALA 82 3HB ALA 82 2.438 -0.923 -1.304 578 H GLU 83 H GLU 83 0.496 -0.641 2.352 579 HA GLU 83 HA GLU 83 -0.804 1.948 2.372 580 HB2 GLU 83 2HB GLU 83 -2.316 1.029 4.231 581 HB3 GLU 83 1HB GLU 83 -2.698 0.499 2.595 582 HG2 GLU 83 2HG GLU 83 -1.617 -1.627 3.097 583 HG3 GLU 83 1HG GLU 83 -1.228 -1.035 4.715 584 HA PRO 84 HA PRO 84 2.407 2.406 5.330 585 HB2 PRO 84 2HB PRO 84 1.840 4.764 6.471 586 HB3 PRO 84 1HB PRO 84 2.050 4.637 4.752 587 HG2 PRO 84 2HG PRO 84 -0.589 4.491 6.125 588 HG3 PRO 84 1HG PRO 84 -0.047 5.657 4.888 589 HD2 PRO 84 2HD PRO 84 -1.346 3.477 4.068 590 HD3 PRO 84 1HD PRO 84 0.127 4.089 3.250 591 H TYR 85 H TYR 85 2.908 1.571 7.190 592 HA TYR 85 HA TYR 85 1.089 -0.063 8.411 593 HB2 TYR 85 2HB TYR 85 2.918 -1.224 9.086 594 HB3 TYR 85 1HB TYR 85 3.597 -0.113 8.012 595 HD1 TYR 85 1HD TYR 85 4.500 2.204 9.146 596 HD2 TYR 85 2HD TYR 85 4.138 -1.571 11.047 597 HE1 TYR 85 1HE TYR 85 6.343 2.789 10.668 598 HE2 TYR 85 2HE TYR 85 5.951 -0.983 12.589 599 HH TYR 85 HH TYR 85 7.146 2.122 12.941 Start of MODEL 17 1 H SER 7 1HT SER 7 -11.061 -14.125 -5.077 2 HA SER 7 HA SER 7 -10.144 -13.797 -7.248 3 HB2 SER 7 2HB SER 7 -11.855 -13.459 -9.107 4 HB3 SER 7 1HB SER 7 -11.647 -15.125 -8.556 5 HG SER 7 HG SER 7 -13.876 -14.265 -8.780 6 H GLY 8 H GLY 8 -10.272 -11.613 -8.362 7 HA2 GLY 8 2HA GLY 8 -11.436 -9.705 -6.472 8 HA3 GLY 8 1HA GLY 8 -10.027 -9.454 -7.510 9 H ARG 9 H ARG 9 -13.512 -9.631 -7.435 10 HA ARG 9 HA ARG 9 -13.489 -8.294 -10.037 11 HB2 ARG 9 2HB ARG 9 -15.783 -9.022 -10.380 12 HB3 ARG 9 1HB ARG 9 -14.781 -10.425 -10.074 13 HG2 ARG 9 2HG ARG 9 -15.649 -10.596 -7.820 14 HG3 ARG 9 1HG ARG 9 -16.574 -9.107 -8.040 15 HD2 ARG 9 2HD ARG 9 -17.770 -10.181 -9.925 16 HD3 ARG 9 1HD ARG 9 -16.913 -11.674 -9.583 17 HE ARG 9 HE ARG 9 -18.061 -11.199 -7.229 18 HH11 ARG 9 1HH1 ARG 9 -19.453 -10.954 -10.474 19 HH12 ARG 9 2HH1 ARG 9 -20.986 -11.492 -9.999 20 HH21 ARG 9 1HH2 ARG 9 -20.153 -11.908 -6.577 21 HH22 ARG 9 2HH2 ARG 9 -21.412 -12.028 -7.719 22 H GLU 10 H GLU 10 -15.118 -6.506 -10.150 23 HA GLU 10 HA GLU 10 -14.842 -5.017 -7.748 24 HB2 GLU 10 2HB GLU 10 -14.590 -3.923 -9.951 25 HB3 GLU 10 1HB GLU 10 -16.301 -4.211 -10.258 26 HG2 GLU 10 2HG GLU 10 -16.900 -2.869 -8.336 27 HG3 GLU 10 1HG GLU 10 -15.190 -2.628 -7.986 28 H ASN 11 H ASN 11 -15.982 -5.943 -6.255 29 HA ASN 11 HA ASN 11 -18.882 -5.502 -6.362 30 HB2 ASN 11 2HB ASN 11 -18.375 -7.953 -6.199 31 HB3 ASN 11 1HB ASN 11 -17.366 -7.630 -4.798 32 HD21 ASN 11 1HD2 ASN 11 -18.609 -8.956 -3.439 33 HD22 ASN 11 2HD2 ASN 11 -20.184 -8.467 -2.910 34 H LEU 12 H LEU 12 -19.638 -4.617 -4.310 35 HA LEU 12 HA LEU 12 -17.527 -3.057 -3.134 36 HB2 LEU 12 2HB LEU 12 -19.248 -1.830 -1.922 37 HB3 LEU 12 1HB LEU 12 -19.602 -1.888 -3.630 38 HG LEU 12 HG LEU 12 -21.056 -3.902 -2.920 39 HD11 LEU 12 1HD1 LEU 12 -20.491 -4.016 -0.602 40 HD12 LEU 12 2HD1 LEU 12 -22.195 -3.605 -0.763 41 HD13 LEU 12 3HD1 LEU 12 -21.025 -2.354 -0.343 42 HD21 LEU 12 1HD2 LEU 12 -21.887 -1.034 -2.489 43 HD22 LEU 12 2HD2 LEU 12 -23.004 -2.379 -2.717 44 HD23 LEU 12 3HD2 LEU 12 -21.905 -1.913 -4.016 45 H TYR 13 H TYR 13 -16.955 -3.062 -1.169 46 HA TYR 13 HA TYR 13 -17.740 -5.022 0.808 47 HB2 TYR 13 2HB TYR 13 -14.940 -4.895 -0.384 48 HB3 TYR 13 1HB TYR 13 -15.276 -5.597 1.185 49 HD1 TYR 13 1HD TYR 13 -16.310 -7.763 1.371 50 HD2 TYR 13 2HD TYR 13 -15.580 -6.059 -2.455 51 HE1 TYR 13 1HE TYR 13 -16.671 -9.955 0.336 52 HE2 TYR 13 2HE TYR 13 -15.944 -8.255 -3.504 53 HH TYR 13 HH TYR 13 -17.244 -10.908 -1.741 54 H PHE 14 H PHE 14 -16.496 -4.415 2.867 55 HA PHE 14 HA PHE 14 -16.408 -1.571 3.072 56 HB2 PHE 14 2HB PHE 14 -17.102 -3.074 4.960 57 HB3 PHE 14 1HB PHE 14 -15.443 -3.649 5.064 58 HD1 PHE 14 1HD PHE 14 -17.297 -0.415 5.024 59 HD2 PHE 14 2HD PHE 14 -14.133 -2.699 6.709 60 HE1 PHE 14 1HE PHE 14 -16.793 1.426 6.561 61 HE2 PHE 14 2HE PHE 14 -13.615 -0.857 8.251 62 HZ PHE 14 HZ PHE 14 -14.945 1.215 8.179 63 H GLN 15 H GLN 15 -14.501 -0.313 3.468 64 HA GLN 15 HA GLN 15 -12.272 -1.216 1.902 65 HB2 GLN 15 2HB GLN 15 -12.805 1.343 3.413 66 HB3 GLN 15 1HB GLN 15 -11.409 1.064 2.385 67 HG2 GLN 15 2HG GLN 15 -12.784 0.895 0.447 68 HG3 GLN 15 1HG GLN 15 -14.248 0.927 1.431 69 HE21 GLN 15 1HE2 GLN 15 -11.586 2.818 0.205 70 HE22 GLN 15 2HE2 GLN 15 -12.306 4.358 0.509 71 H GLY 16 H GLY 16 -10.089 -0.525 2.854 72 HA2 GLY 16 2HA GLY 16 -9.678 -1.988 5.307 73 HA3 GLY 16 1HA GLY 16 -8.430 -1.160 4.358 74 H HIS 17 H HIS 17 -9.102 -1.055 7.255 75 HA HIS 17 HA HIS 17 -10.198 1.487 7.845 76 HB2 HIS 17 2HB HIS 17 -8.239 -0.196 9.430 77 HB3 HIS 17 1HB HIS 17 -9.180 1.146 10.085 78 HD1 HIS 17 1HD HIS 17 -9.303 -2.477 9.435 79 HD2 HIS 17 2HD HIS 17 -12.010 0.581 10.204 80 HE1 HIS 17 1HE HIS 17 -11.466 -3.599 10.109 81 H MET 18 H MET 18 -9.248 3.432 7.735 82 HA MET 18 HA MET 18 -7.076 3.701 6.029 83 HB2 MET 18 2HB MET 18 -8.805 5.417 6.246 84 HB3 MET 18 1HB MET 18 -8.198 5.827 7.845 85 HG2 MET 18 2HG MET 18 -7.400 7.399 6.165 86 HG3 MET 18 1HG MET 18 -6.064 6.493 6.881 87 HE1 MET 18 1HE MET 18 -5.643 8.114 4.259 88 HE2 MET 18 2HE MET 18 -4.757 6.953 3.273 89 HE3 MET 18 3HE MET 18 -4.400 7.100 4.994 90 H ALA 19 H ALA 19 -5.046 3.606 6.246 91 HA ALA 19 HA ALA 19 -3.836 3.257 8.821 92 HB1 ALA 19 1HB ALA 19 -3.262 1.765 6.976 93 HB2 ALA 19 2HB ALA 19 -1.847 2.698 7.474 94 HB3 ALA 19 3HB ALA 19 -2.730 3.143 6.015 95 H ALA 20 H ALA 20 -2.410 4.604 9.681 96 HA ALA 20 HA ALA 20 -2.458 7.363 8.755 97 HB1 ALA 20 1HB ALA 20 -1.463 7.872 10.948 98 HB2 ALA 20 2HB ALA 20 -1.340 6.146 11.286 99 HB3 ALA 20 3HB ALA 20 -2.925 6.897 11.118 100 HA PRO 21 HA PRO 21 1.601 7.189 6.900 101 HB2 PRO 21 2HB PRO 21 2.493 9.710 7.631 102 HB3 PRO 21 1HB PRO 21 1.426 9.410 6.247 103 HG2 PRO 21 2HG PRO 21 0.718 10.283 8.991 104 HG3 PRO 21 1HG PRO 21 0.088 10.854 7.426 105 HD2 PRO 21 2HD PRO 21 -1.336 9.182 8.900 106 HD3 PRO 21 1HD PRO 21 -1.258 8.982 7.136 107 H ALA 22 H ALA 22 3.095 5.978 7.825 108 HA ALA 22 HA ALA 22 4.040 6.703 10.512 109 HB1 ALA 22 1HB ALA 22 3.477 3.923 9.539 110 HB2 ALA 22 2HB ALA 22 2.414 4.875 10.563 111 HB3 ALA 22 3HB ALA 22 4.001 4.363 11.169 112 H ARG 23 H ARG 23 5.148 6.991 7.853 113 HA ARG 23 HA ARG 23 7.076 7.004 6.764 114 HB2 ARG 23 2HB ARG 23 7.830 7.889 8.969 115 HB3 ARG 23 1HB ARG 23 8.409 6.282 9.370 116 HG2 ARG 23 2HG ARG 23 9.974 6.340 7.551 117 HG3 ARG 23 1HG ARG 23 9.327 7.889 7.011 118 HD2 ARG 23 2HD ARG 23 10.708 7.384 9.648 119 HD3 ARG 23 1HD ARG 23 11.444 8.154 8.239 120 HE ARG 23 HE ARG 23 9.206 9.237 9.805 121 HH11 ARG 23 1HH1 ARG 23 11.911 9.807 7.568 122 HH12 ARG 23 2HH1 ARG 23 11.970 11.477 7.879 123 HH21 ARG 23 1HH2 ARG 23 9.262 11.529 10.143 124 HH22 ARG 23 2HH2 ARG 23 10.427 12.489 9.348 125 H SER 24 H SER 24 5.668 4.350 6.904 126 HA SER 24 HA SER 24 7.697 3.017 5.359 127 HB2 SER 24 2HB SER 24 6.457 1.741 7.790 128 HB3 SER 24 1HB SER 24 7.285 0.810 6.546 129 HG SER 24 HG SER 24 8.669 2.980 7.579 130 H CYS 25 H CYS 25 6.753 1.750 3.705 131 HA CYS 25 HA CYS 25 3.827 1.771 3.658 132 HB2 CYS 25 2HB CYS 25 5.891 1.659 1.442 133 HB3 CYS 25 1HB CYS 25 4.160 1.382 1.191 134 H VAL 26 H VAL 26 2.852 -0.135 3.634 135 HA VAL 26 HA VAL 26 4.574 -2.510 3.686 136 HB VAL 26 HB VAL 26 1.800 -2.282 4.909 137 HG11 VAL 26 1HG1 VAL 26 2.775 -4.517 4.675 138 HG12 VAL 26 2HG1 VAL 26 2.597 -3.976 6.365 139 HG13 VAL 26 3HG1 VAL 26 4.181 -3.941 5.595 140 HG21 VAL 26 1HG2 VAL 26 4.379 -1.588 6.169 141 HG22 VAL 26 2HG2 VAL 26 2.773 -1.701 6.940 142 HG23 VAL 26 3HG2 VAL 26 3.082 -0.488 5.698 143 H TYR 27 H TYR 27 4.256 -3.859 2.126 144 HA TYR 27 HA TYR 27 2.137 -3.257 0.240 145 HB2 TYR 27 2HB TYR 27 4.693 -4.853 -0.080 146 HB3 TYR 27 1HB TYR 27 3.492 -4.633 -1.355 147 HD1 TYR 27 1HD TYR 27 3.552 -2.693 -2.719 148 HD2 TYR 27 2HD TYR 27 5.746 -2.750 0.918 149 HE1 TYR 27 1HE TYR 27 4.580 -0.510 -3.278 150 HE2 TYR 27 2HE TYR 27 6.758 -0.604 0.365 151 HH TYR 27 HH TYR 27 7.231 0.743 -1.671 152 H TYR 28 H TYR 28 0.614 -4.585 -0.297 153 HA TYR 28 HA TYR 28 0.455 -7.190 1.015 154 HB2 TYR 28 2HB TYR 28 -1.747 -5.157 0.589 155 HB3 TYR 28 1HB TYR 28 -1.946 -6.818 1.122 156 HD1 TYR 28 1HD TYR 28 -2.048 -7.274 3.405 157 HD2 TYR 28 2HD TYR 28 -0.281 -3.605 2.145 158 HE1 TYR 28 1HE TYR 28 -1.932 -6.548 5.714 159 HE2 TYR 28 2HE TYR 28 -0.146 -2.892 4.441 160 HH TYR 28 HH TYR 28 -1.328 -3.292 6.544 161 H ASP 29 H ASP 29 -0.441 -8.716 -0.232 162 HA ASP 29 HA ASP 29 -0.983 -8.151 -3.080 163 HB2 ASP 29 2HB ASP 29 0.531 -10.009 -2.404 164 HB3 ASP 29 1HB ASP 29 -0.805 -10.692 -1.478 165 H GLY 30 H GLY 30 -3.096 -7.461 -3.229 166 HA2 GLY 30 2HA GLY 30 -5.058 -9.297 -2.314 167 HA3 GLY 30 1HA GLY 30 -5.106 -7.868 -1.344 168 H HIS 31 H HIS 31 -6.611 -9.315 -3.382 169 HA HIS 31 HA HIS 31 -7.225 -7.506 -5.538 170 HB2 HIS 31 2HB HIS 31 -8.912 -9.731 -4.358 171 HB3 HIS 31 1HB HIS 31 -9.184 -8.908 -5.893 172 HD1 HIS 31 1HD HIS 31 -8.356 -12.067 -4.950 173 HD2 HIS 31 2HD HIS 31 -6.343 -9.315 -7.325 174 HE1 HIS 31 1HE HIS 31 -6.849 -13.412 -6.455 175 H LEU 32 H LEU 32 -8.319 -8.183 -2.335 176 HA LEU 32 HA LEU 32 -10.133 -5.856 -2.316 177 HB2 LEU 32 2HB LEU 32 -10.477 -8.339 -0.624 178 HB3 LEU 32 1HB LEU 32 -11.615 -7.035 -0.843 179 HG LEU 32 HG LEU 32 -10.853 -9.096 -2.819 180 HD11 LEU 32 1HD1 LEU 32 -13.365 -8.789 -1.181 181 HD12 LEU 32 2HD1 LEU 32 -12.147 -10.055 -1.029 182 HD13 LEU 32 3HD1 LEU 32 -13.157 -9.973 -2.472 183 HD21 LEU 32 1HD2 LEU 32 -11.508 -7.059 -3.975 184 HD22 LEU 32 2HD2 LEU 32 -12.983 -6.956 -3.013 185 HD23 LEU 32 3HD2 LEU 32 -12.776 -8.269 -4.178 186 HA PRO 33 HA PRO 33 -7.554 -5.030 1.279 187 HB2 PRO 33 2HB PRO 33 -9.332 -3.785 2.938 188 HB3 PRO 33 1HB PRO 33 -8.622 -2.979 1.523 189 HG2 PRO 33 2HG PRO 33 -11.294 -4.258 1.784 190 HG3 PRO 33 1HG PRO 33 -10.844 -2.725 1.010 191 HD2 PRO 33 2HD PRO 33 -11.277 -4.939 -0.431 192 HD3 PRO 33 1HD PRO 33 -10.041 -3.740 -0.887 193 H ALA 34 H ALA 34 -10.181 -7.092 1.212 194 HA ALA 34 HA ALA 34 -10.061 -7.820 4.041 195 HB1 ALA 34 1HB ALA 34 -11.932 -9.315 3.561 196 HB2 ALA 34 2HB ALA 34 -11.784 -8.962 1.839 197 HB3 ALA 34 3HB ALA 34 -12.261 -7.689 2.958 198 H THR 35 H THR 35 -9.458 -9.307 0.853 199 HA THR 35 HA THR 35 -8.498 -11.741 2.058 200 HB THR 35 HB THR 35 -8.429 -12.343 -0.428 201 HG1 THR 35 1HG THR 35 -8.773 -10.759 -1.718 202 HG21 THR 35 1HG2 THR 35 -11.045 -11.436 0.789 203 HG22 THR 35 2HG2 THR 35 -10.284 -13.004 1.056 204 HG23 THR 35 3HG2 THR 35 -10.878 -12.568 -0.549 205 H ARG 36 H ARG 36 -6.946 -9.134 2.077 206 HA ARG 36 HA ARG 36 -4.816 -9.480 0.188 207 HB2 ARG 36 2HB ARG 36 -3.834 -7.509 1.241 208 HB3 ARG 36 1HB ARG 36 -5.510 -7.253 0.792 209 HG2 ARG 36 2HG ARG 36 -6.163 -7.664 3.135 210 HG3 ARG 36 1HG ARG 36 -4.452 -7.802 3.551 211 HD2 ARG 36 2HD ARG 36 -4.096 -5.528 2.663 212 HD3 ARG 36 1HD ARG 36 -5.833 -5.399 2.381 213 HE ARG 36 HE ARG 36 -5.585 -6.114 4.993 214 HH11 ARG 36 1HH1 ARG 36 -4.588 -3.369 3.001 215 HH12 ARG 36 2HH1 ARG 36 -4.406 -2.325 4.361 216 HH21 ARG 36 1HH2 ARG 36 -5.389 -4.673 6.776 217 HH22 ARG 36 2HH2 ARG 36 -4.890 -3.062 6.528 218 H VAL 37 H VAL 37 -2.520 -9.527 0.828 219 HA VAL 37 HA VAL 37 -2.029 -11.317 3.117 220 HB VAL 37 HB VAL 37 -0.728 -11.480 0.385 221 HG11 VAL 37 1HG1 VAL 37 -0.523 -13.317 2.760 222 HG12 VAL 37 2HG1 VAL 37 0.732 -12.236 2.155 223 HG13 VAL 37 3HG1 VAL 37 0.202 -13.608 1.179 224 HG21 VAL 37 1HG2 VAL 37 -3.050 -12.218 0.213 225 HG22 VAL 37 2HG2 VAL 37 -2.796 -13.349 1.546 226 HG23 VAL 37 3HG2 VAL 37 -1.937 -13.571 0.025 227 H LEU 38 H LEU 38 -0.277 -10.692 4.307 228 HA LEU 38 HA LEU 38 0.918 -8.140 3.847 229 HB2 LEU 38 2HB LEU 38 0.336 -9.241 6.069 230 HB3 LEU 38 1HB LEU 38 1.676 -10.317 5.807 231 HG LEU 38 HG LEU 38 2.139 -8.566 7.453 232 HD11 LEU 38 1HD1 LEU 38 3.852 -8.301 4.996 233 HD12 LEU 38 2HD1 LEU 38 4.057 -9.467 6.308 234 HD13 LEU 38 3HD1 LEU 38 4.279 -7.742 6.612 235 HD21 LEU 38 1HD2 LEU 38 0.760 -6.813 6.578 236 HD22 LEU 38 2HD2 LEU 38 1.819 -6.648 5.174 237 HD23 LEU 38 3HD2 LEU 38 2.420 -6.257 6.785 238 H LEU 39 H LEU 39 2.482 -7.895 2.309 239 HA LEU 39 HA LEU 39 4.140 -10.172 1.598 240 HB2 LEU 39 2HB LEU 39 3.936 -7.420 0.402 241 HB3 LEU 39 1HB LEU 39 4.970 -8.696 -0.204 242 HG LEU 39 HG LEU 39 1.955 -8.812 -0.105 243 HD11 LEU 39 1HD1 LEU 39 2.762 -7.183 -1.713 244 HD12 LEU 39 2HD1 LEU 39 2.124 -8.604 -2.538 245 HD13 LEU 39 3HD1 LEU 39 3.867 -8.378 -2.389 246 HD21 LEU 39 1HD2 LEU 39 2.965 -10.987 0.110 247 HD22 LEU 39 2HD2 LEU 39 4.032 -10.654 -1.251 248 HD23 LEU 39 3HD2 LEU 39 2.290 -10.808 -1.514 249 H MET 40 H MET 40 4.756 -6.742 2.336 250 HA MET 40 HA MET 40 7.019 -7.284 4.022 251 HB2 MET 40 2HB MET 40 7.479 -7.357 1.205 252 HB3 MET 40 1HB MET 40 8.209 -5.881 1.848 253 HG2 MET 40 2HG MET 40 9.565 -7.104 3.331 254 HG3 MET 40 1HG MET 40 8.700 -8.607 3.013 255 HE1 MET 40 1HE MET 40 10.106 -5.776 0.600 256 HE2 MET 40 2HE MET 40 11.654 -6.495 0.149 257 HE3 MET 40 3HE MET 40 11.358 -6.015 1.819 258 H TYR 41 H TYR 41 8.098 -5.430 4.682 259 HA TYR 41 HA TYR 41 6.500 -2.954 4.547 260 HB2 TYR 41 2HB TYR 41 8.652 -3.853 6.488 261 HB3 TYR 41 1HB TYR 41 7.787 -2.336 6.564 262 HD1 TYR 41 1HD TYR 41 5.951 -2.182 7.988 263 HD2 TYR 41 2HD TYR 41 7.193 -6.020 6.648 264 HE1 TYR 41 1HE TYR 41 4.336 -3.237 9.517 265 HE2 TYR 41 2HE TYR 41 5.582 -7.078 8.168 266 HH TYR 41 HH TYR 41 4.443 -6.548 10.215 267 H VAL 42 H VAL 42 7.478 -1.150 3.700 268 HA VAL 42 HA VAL 42 10.351 -1.288 3.164 269 HB VAL 42 HB VAL 42 8.354 0.031 1.332 270 HG11 VAL 42 1HG1 VAL 42 10.260 0.208 -0.205 271 HG12 VAL 42 2HG1 VAL 42 11.307 -0.499 1.023 272 HG13 VAL 42 3HG1 VAL 42 10.557 1.070 1.306 273 HG21 VAL 42 1HG2 VAL 42 9.841 -2.565 0.993 274 HG22 VAL 42 2HG2 VAL 42 8.834 -1.778 -0.234 275 HG23 VAL 42 3HG2 VAL 42 8.105 -2.384 1.258 276 H ARG 43 H ARG 43 11.306 0.280 4.272 277 HA ARG 43 HA ARG 43 10.021 2.399 5.576 278 HB2 ARG 43 2HB ARG 43 12.079 1.451 6.415 279 HB3 ARG 43 1HB ARG 43 12.894 1.787 4.905 280 HG2 ARG 43 2HG ARG 43 11.892 4.073 6.526 281 HG3 ARG 43 1HG ARG 43 13.324 3.214 7.074 282 HD2 ARG 43 2HD ARG 43 14.353 3.608 4.851 283 HD3 ARG 43 1HD ARG 43 12.931 4.538 4.388 284 HE ARG 43 HE ARG 43 13.899 5.572 6.757 285 HH11 ARG 43 1HH1 ARG 43 15.021 5.313 3.397 286 HH12 ARG 43 2HH1 ARG 43 15.907 6.763 3.418 287 HH21 ARG 43 1HH2 ARG 43 15.167 7.559 6.793 288 HH22 ARG 43 2HH2 ARG 43 16.011 8.052 5.411 289 H ILE 44 H ILE 44 9.603 4.351 4.958 290 HA ILE 44 HA ILE 44 9.452 5.115 2.216 291 HB ILE 44 HB ILE 44 9.602 7.098 4.489 292 HG12 ILE 44 2HG1 ILE 44 7.989 5.299 4.774 293 HG13 ILE 44 1HG1 ILE 44 7.289 6.913 4.815 294 HG21 ILE 44 1HG2 ILE 44 8.256 8.540 3.025 295 HG22 ILE 44 2HG2 ILE 44 8.338 7.313 1.761 296 HG23 ILE 44 3HG2 ILE 44 9.809 8.122 2.299 297 HD11 ILE 44 1HD1 ILE 44 5.836 5.346 3.742 298 HD12 ILE 44 2HD1 ILE 44 7.101 4.798 2.658 299 HD13 ILE 44 3HD1 ILE 44 6.434 6.441 2.510 300 H GLY 45 H GLY 45 10.959 5.649 0.905 301 HA2 GLY 45 2HA GLY 45 12.724 7.116 0.196 302 HA3 GLY 45 1HA GLY 45 13.329 7.127 1.853 303 H ASN 46 H ASN 46 12.343 4.085 1.175 304 HA ASN 46 HA ASN 46 15.018 3.251 0.286 305 HB2 ASN 46 2HB ASN 46 14.569 2.728 2.585 306 HB3 ASN 46 1HB ASN 46 13.093 1.891 2.061 307 HD21 ASN 46 1HD2 ASN 46 13.854 -0.130 3.016 308 HD22 ASN 46 2HD2 ASN 46 15.169 -0.990 2.308 309 H THR 47 H THR 47 15.048 1.310 -0.819 310 HA THR 47 HA THR 47 12.714 0.885 -2.564 311 HB THR 47 HB THR 47 14.376 -0.230 -4.027 312 HG1 THR 47 1HG THR 47 16.204 -0.516 -2.858 313 HG21 THR 47 1HG2 THR 47 13.558 1.987 -4.594 314 HG22 THR 47 2HG2 THR 47 15.271 1.890 -4.996 315 HG23 THR 47 3HG2 THR 47 14.754 2.731 -3.533 316 H ALA 48 H ALA 48 12.282 -1.222 -3.123 317 HA ALA 48 HA ALA 48 13.649 -3.391 -1.731 318 HB1 ALA 48 1HB ALA 48 12.027 -2.667 -0.028 319 HB2 ALA 48 2HB ALA 48 11.735 -4.314 -0.581 320 HB3 ALA 48 3HB ALA 48 10.715 -3.006 -1.158 321 H THR 49 H THR 49 13.469 -5.352 -2.638 322 HA THR 49 HA THR 49 12.026 -5.556 -5.157 323 HB THR 49 HB THR 49 13.945 -7.511 -3.835 324 HG1 THR 49 1HG THR 49 15.415 -6.145 -4.350 325 HG21 THR 49 1HG2 THR 49 13.058 -7.204 -6.716 326 HG22 THR 49 2HG2 THR 49 12.547 -8.483 -5.614 327 HG23 THR 49 3HG2 THR 49 14.231 -8.378 -6.121 328 H ILE 50 H ILE 50 9.940 -6.124 -4.812 329 HA ILE 50 HA ILE 50 9.165 -7.874 -2.563 330 HB ILE 50 HB ILE 50 7.381 -6.609 -4.638 331 HG12 ILE 50 2HG1 ILE 50 8.670 -4.790 -3.675 332 HG13 ILE 50 1HG1 ILE 50 6.982 -4.723 -3.152 333 HG21 ILE 50 1HG2 ILE 50 6.839 -7.501 -1.814 334 HG22 ILE 50 2HG2 ILE 50 6.351 -8.325 -3.294 335 HG23 ILE 50 3HG2 ILE 50 5.661 -6.751 -2.893 336 HD11 ILE 50 1HD1 ILE 50 8.505 -4.192 -1.354 337 HD12 ILE 50 2HD1 ILE 50 9.317 -5.755 -1.604 338 HD13 ILE 50 3HD1 ILE 50 7.642 -5.716 -1.030 339 H THR 51 H THR 51 9.368 -10.043 -3.162 340 HA THR 51 HA THR 51 8.392 -10.625 -5.859 341 HB THR 51 HB THR 51 9.393 -12.656 -3.841 342 HG1 THR 51 1HG THR 51 10.755 -10.725 -4.658 343 HG21 THR 51 1HG2 THR 51 8.177 -13.508 -5.835 344 HG22 THR 51 2HG2 THR 51 9.873 -13.983 -5.848 345 HG23 THR 51 3HG2 THR 51 9.321 -12.658 -6.873 346 H ALA 52 H ALA 52 6.370 -11.084 -6.147 347 HA ALA 52 HA ALA 52 4.767 -12.385 -4.090 348 HB1 ALA 52 1HB ALA 52 4.335 -10.004 -3.781 349 HB2 ALA 52 2HB ALA 52 2.922 -10.768 -4.517 350 HB3 ALA 52 3HB ALA 52 4.027 -9.809 -5.502 351 H ARG 53 H ARG 53 3.601 -13.904 -5.004 352 HA ARG 53 HA ARG 53 2.888 -15.441 -6.494 353 HB2 ARG 53 2HB ARG 53 2.285 -13.026 -8.222 354 HB3 ARG 53 1HB ARG 53 1.585 -14.639 -8.411 355 HG2 ARG 53 2HG ARG 53 0.549 -14.408 -6.190 356 HG3 ARG 53 1HG ARG 53 1.204 -12.763 -6.091 357 HD2 ARG 53 2HD ARG 53 -0.046 -12.220 -8.168 358 HD3 ARG 53 1HD ARG 53 -0.779 -13.823 -8.080 359 HE ARG 53 HE ARG 53 -1.014 -12.088 -5.762 360 HH11 ARG 53 1HH1 ARG 53 -2.582 -13.653 -8.505 361 HH12 ARG 53 2HH1 ARG 53 -4.163 -13.198 -8.090 362 HH21 ARG 53 1HH2 ARG 53 -3.115 -11.410 -5.193 363 HH22 ARG 53 2HH2 ARG 53 -4.502 -11.806 -6.152 364 H GLY 54 H GLY 54 5.606 -14.601 -6.573 365 HA2 GLY 54 2HA GLY 54 7.463 -15.453 -7.676 366 HA3 GLY 54 1HA GLY 54 6.401 -15.974 -8.990 367 H HIS 55 H HIS 55 5.793 -12.752 -8.302 368 HA HIS 55 HA HIS 55 7.531 -11.879 -10.518 369 HB2 HIS 55 2HB HIS 55 5.003 -10.660 -9.378 370 HB3 HIS 55 1HB HIS 55 5.981 -9.924 -10.649 371 HD1 HIS 55 1HD HIS 55 5.505 -10.686 -13.025 372 HD2 HIS 55 2HD HIS 55 3.531 -12.952 -10.158 373 HE1 HIS 55 1HE HIS 55 3.829 -12.075 -14.274 374 H GLU 56 H GLU 56 9.131 -10.423 -10.039 375 HA GLU 56 HA GLU 56 9.149 -9.378 -7.349 376 HB2 GLU 56 2HB GLU 56 11.279 -9.252 -9.479 377 HB3 GLU 56 1HB GLU 56 11.421 -8.589 -7.863 378 HG2 GLU 56 2HG GLU 56 12.485 -10.548 -7.524 379 HG3 GLU 56 1HG GLU 56 10.846 -11.089 -7.207 380 H PHE 57 H PHE 57 8.603 -7.370 -6.872 381 HA PHE 57 HA PHE 57 8.391 -5.437 -9.051 382 HB2 PHE 57 2HB PHE 57 6.969 -5.561 -6.368 383 HB3 PHE 57 1HB PHE 57 6.712 -4.368 -7.645 384 HD1 PHE 57 1HD PHE 57 5.550 -5.007 -9.691 385 HD2 PHE 57 2HD PHE 57 5.957 -7.710 -6.440 386 HE1 PHE 57 1HE PHE 57 3.753 -6.403 -10.629 387 HE2 PHE 57 2HE PHE 57 4.169 -9.113 -7.380 388 HZ PHE 57 HZ PHE 57 3.063 -8.458 -9.463 389 H GLU 58 H GLU 58 10.265 -4.266 -8.911 390 HA GLU 58 HA GLU 58 11.414 -3.888 -6.278 391 HB2 GLU 58 2HB GLU 58 12.849 -4.367 -8.322 392 HB3 GLU 58 1HB GLU 58 12.363 -2.788 -8.943 393 HG2 GLU 58 2HG GLU 58 13.315 -1.785 -6.881 394 HG3 GLU 58 1HG GLU 58 13.913 -3.408 -6.528 395 H VAL 59 H VAL 59 10.516 -2.378 -5.150 396 HA VAL 59 HA VAL 59 9.184 -0.133 -6.530 397 HB VAL 59 HB VAL 59 7.780 0.135 -4.586 398 HG11 VAL 59 1HG1 VAL 59 7.909 -2.781 -5.319 399 HG12 VAL 59 2HG1 VAL 59 6.938 -1.535 -6.112 400 HG13 VAL 59 3HG1 VAL 59 6.589 -2.004 -4.452 401 HG21 VAL 59 1HG2 VAL 59 7.942 -1.313 -2.682 402 HG22 VAL 59 2HG2 VAL 59 9.425 -0.342 -2.985 403 HG23 VAL 59 3HG2 VAL 59 9.382 -2.067 -3.428 404 H GLU 60 H GLU 60 9.207 1.871 -5.549 405 HA GLU 60 HA GLU 60 11.489 2.337 -3.759 406 HB2 GLU 60 2HB GLU 60 11.803 3.224 -6.131 407 HB3 GLU 60 1HB GLU 60 10.426 4.294 -5.829 408 HG2 GLU 60 2HG GLU 60 11.691 5.257 -3.921 409 HG3 GLU 60 1HG GLU 60 13.070 4.266 -4.380 410 H ALA 61 H ALA 61 10.591 2.791 -1.883 411 HA ALA 61 HA ALA 61 7.836 3.652 -1.745 412 HB1 ALA 61 1HB ALA 61 9.840 3.448 0.508 413 HB2 ALA 61 2HB ALA 61 8.725 2.177 0.005 414 HB3 ALA 61 3HB ALA 61 8.101 3.677 0.692 415 H LYS 62 H LYS 62 7.711 5.473 -2.742 416 HA LYS 62 HA LYS 62 9.388 7.713 -2.659 417 HB2 LYS 62 2HB LYS 62 6.454 7.508 -3.373 418 HB3 LYS 62 1HB LYS 62 7.486 8.880 -3.718 419 HG2 LYS 62 2HG LYS 62 7.883 6.100 -4.748 420 HG3 LYS 62 1HG LYS 62 7.013 7.399 -5.589 421 HD2 LYS 62 2HD LYS 62 9.051 8.761 -5.503 422 HD3 LYS 62 1HD LYS 62 9.912 7.405 -4.764 423 HE2 LYS 62 2HE LYS 62 9.448 6.035 -6.698 424 HE3 LYS 62 1HE LYS 62 8.494 7.365 -7.371 425 HZ1 LYS 62 1HZ LYS 62 10.771 7.201 -8.321 426 HZ2 LYS 62 2HZ LYS 62 11.411 7.508 -6.777 427 HZ3 LYS 62 3HZ LYS 62 10.503 8.681 -7.562 428 H ASP 63 H ASP 63 6.178 7.293 -1.240 429 HA ASP 63 HA ASP 63 6.801 9.204 0.855 430 HB2 ASP 63 2HB ASP 63 6.105 10.587 -1.060 431 HB3 ASP 63 1HB ASP 63 4.615 9.670 -1.190 432 H GLN 64 H GLN 64 4.841 9.426 2.310 433 HA GLN 64 HA GLN 64 4.109 6.797 3.125 434 HB2 GLN 64 2HB GLN 64 3.190 9.399 4.332 435 HB3 GLN 64 1HB GLN 64 3.320 7.826 5.118 436 HG2 GLN 64 2HG GLN 64 5.761 7.909 4.600 437 HG3 GLN 64 1HG GLN 64 5.556 9.600 4.186 438 HE21 GLN 64 1HE2 GLN 64 6.850 10.368 5.828 439 HE22 GLN 64 2HE2 GLN 64 6.396 10.251 7.487 440 H ASN 65 H ASN 65 2.759 8.767 0.902 441 HA ASN 65 HA ASN 65 -0.010 8.239 1.300 442 HB2 ASN 65 2HB ASN 65 0.898 9.956 -0.277 443 HB3 ASN 65 1HB ASN 65 1.432 8.641 -1.339 444 HD21 ASN 65 1HD2 ASN 65 0.100 9.368 -3.032 445 HD22 ASN 65 2HD2 ASN 65 -1.608 9.201 -2.971 446 H CYS 66 H CYS 66 2.693 6.497 0.102 447 HA CYS 66 HA CYS 66 3.118 4.426 -0.448 448 HB2 CYS 66 2HB CYS 66 0.692 3.920 1.236 449 HB3 CYS 66 1HB CYS 66 1.801 2.663 0.651 450 H LYS 67 H LYS 67 1.841 5.688 -2.599 451 HA LYS 67 HA LYS 67 0.193 3.842 -3.871 452 HB2 LYS 67 2HB LYS 67 0.724 6.349 -4.362 453 HB3 LYS 67 1HB LYS 67 2.191 5.743 -5.095 454 HG2 LYS 67 2HG LYS 67 0.659 6.103 -6.856 455 HG3 LYS 67 1HG LYS 67 0.746 4.361 -6.606 456 HD2 LYS 67 2HD LYS 67 -1.127 5.667 -4.934 457 HD3 LYS 67 1HD LYS 67 -1.612 5.830 -6.649 458 HE2 LYS 67 2HE LYS 67 -1.330 3.266 -6.716 459 HE3 LYS 67 1HE LYS 67 -1.165 3.353 -4.963 460 HZ1 LYS 67 1HZ LYS 67 -3.376 4.287 -4.822 461 HZ2 LYS 67 2HZ LYS 67 -3.423 2.810 -5.633 462 HZ3 LYS 67 3HZ LYS 67 -3.533 4.251 -6.501 463 H VAL 68 H VAL 68 0.904 2.061 -5.002 464 HA VAL 68 HA VAL 68 3.661 1.371 -4.658 465 HB VAL 68 HB VAL 68 2.151 -0.512 -4.504 466 HG11 VAL 68 1HG1 VAL 68 0.893 -1.386 -6.391 467 HG12 VAL 68 2HG1 VAL 68 1.440 -0.047 -7.397 468 HG13 VAL 68 3HG1 VAL 68 0.380 0.264 -6.025 469 HG21 VAL 68 1HG2 VAL 68 3.293 -2.072 -6.017 470 HG22 VAL 68 2HG2 VAL 68 4.445 -0.917 -5.352 471 HG23 VAL 68 3HG2 VAL 68 3.850 -0.723 -6.987 472 H ILE 69 H ILE 69 5.093 2.345 -5.666 473 HA ILE 69 HA ILE 69 4.851 2.684 -8.563 474 HB ILE 69 HB ILE 69 6.228 4.541 -6.574 475 HG12 ILE 69 2HG1 ILE 69 3.919 5.074 -8.433 476 HG13 ILE 69 1HG1 ILE 69 3.740 4.622 -6.746 477 HG21 ILE 69 1HG2 ILE 69 7.500 4.364 -8.671 478 HG22 ILE 69 2HG2 ILE 69 6.739 5.949 -8.532 479 HG23 ILE 69 3HG2 ILE 69 6.041 4.726 -9.591 480 HD11 ILE 69 1HD1 ILE 69 4.921 6.692 -6.105 481 HD12 ILE 69 2HD1 ILE 69 3.495 7.041 -7.083 482 HD13 ILE 69 3HD1 ILE 69 5.101 7.107 -7.809 483 H LEU 70 H LEU 70 6.318 1.611 -9.594 484 HA LEU 70 HA LEU 70 8.251 0.248 -8.011 485 HB2 LEU 70 2HB LEU 70 7.899 0.059 -10.990 486 HB3 LEU 70 1HB LEU 70 8.949 -0.927 -10.007 487 HG LEU 70 HG LEU 70 7.184 -2.370 -10.341 488 HD11 LEU 70 1HD1 LEU 70 7.537 -2.243 -8.019 489 HD12 LEU 70 2HD1 LEU 70 5.849 -2.587 -8.414 490 HD13 LEU 70 3HD1 LEU 70 6.326 -0.966 -7.904 491 HD21 LEU 70 1HD2 LEU 70 5.890 -0.830 -11.620 492 HD22 LEU 70 2HD2 LEU 70 5.357 -0.040 -10.133 493 HD23 LEU 70 3HD2 LEU 70 4.882 -1.721 -10.469 494 H THR 71 H THR 71 10.389 0.213 -8.674 495 HA THR 71 HA THR 71 11.641 2.718 -8.605 496 HB THR 71 HB THR 71 13.754 1.559 -9.236 497 HG1 THR 71 1HG THR 71 13.575 -0.695 -9.400 498 HG21 THR 71 1HG2 THR 71 12.874 1.729 -7.002 499 HG22 THR 71 2HG2 THR 71 13.684 0.154 -7.260 500 HG23 THR 71 3HG2 THR 71 11.907 0.280 -7.287 501 H ASN 72 H ASN 72 10.759 0.908 -11.369 502 HA ASN 72 HA ASN 72 12.221 2.465 -13.272 503 HB2 ASN 72 2HB ASN 72 10.685 1.269 -14.935 504 HB3 ASN 72 1HB ASN 72 11.746 0.249 -13.953 505 HD21 ASN 72 1HD2 ASN 72 10.482 -1.553 -14.118 506 HD22 ASN 72 2HD2 ASN 72 8.930 -1.692 -13.392 507 H GLY 73 H GLY 73 9.345 2.857 -11.588 508 HA2 GLY 73 2HA GLY 73 8.505 5.127 -11.370 509 HA3 GLY 73 1HA GLY 73 8.858 5.361 -13.089 510 H LYS 74 H LYS 74 7.620 2.373 -12.702 511 HA LYS 74 HA LYS 74 5.076 3.125 -13.877 512 HB2 LYS 74 2HB LYS 74 6.368 0.464 -13.307 513 HB3 LYS 74 1HB LYS 74 4.924 0.723 -14.279 514 HG2 LYS 74 2HG LYS 74 7.439 2.100 -14.938 515 HG3 LYS 74 1HG LYS 74 7.300 0.433 -15.406 516 HD2 LYS 74 2HD LYS 74 5.130 1.143 -16.599 517 HD3 LYS 74 1HD LYS 74 5.559 2.807 -16.191 518 HE2 LYS 74 2HE LYS 74 7.675 2.519 -17.432 519 HE3 LYS 74 1HE LYS 74 7.155 0.901 -17.888 520 HZ1 LYS 74 1HZ LYS 74 5.793 3.432 -18.606 521 HZ2 LYS 74 2HZ LYS 74 5.258 1.887 -19.053 522 HZ3 LYS 74 3HZ LYS 74 6.723 2.484 -19.637 523 H GLN 75 H GLN 75 3.221 2.017 -13.181 524 HA GLN 75 HA GLN 75 3.069 1.734 -10.262 525 HB2 GLN 75 2HB GLN 75 1.469 3.327 -11.396 526 HB3 GLN 75 1HB GLN 75 0.788 1.945 -12.243 527 HG2 GLN 75 2HG GLN 75 0.204 0.917 -10.085 528 HG3 GLN 75 1HG GLN 75 0.816 2.344 -9.260 529 HE21 GLN 75 1HE2 GLN 75 -1.833 1.165 -9.234 530 HE22 GLN 75 2HE2 GLN 75 -2.900 2.399 -9.749 531 H ALA 76 H ALA 76 2.331 -0.167 -9.437 532 HA ALA 76 HA ALA 76 2.754 -2.489 -11.107 533 HB1 ALA 76 1HB ALA 76 2.739 -3.711 -9.007 534 HB2 ALA 76 2HB ALA 76 2.116 -2.303 -8.162 535 HB3 ALA 76 3HB ALA 76 3.738 -2.272 -8.842 536 HA PRO 77 HA PRO 77 -1.510 -3.937 -11.692 537 HB2 PRO 77 2HB PRO 77 -1.097 -6.156 -9.793 538 HB3 PRO 77 1HB PRO 77 -1.627 -6.205 -11.490 539 HG2 PRO 77 2HG PRO 77 0.761 -7.020 -10.852 540 HG3 PRO 77 1HG PRO 77 0.505 -6.029 -12.319 541 HD2 PRO 77 2HD PRO 77 1.586 -5.237 -9.664 542 HD3 PRO 77 1HD PRO 77 2.145 -4.759 -11.285 543 H ASP 78 H ASP 78 -3.441 -3.764 -10.827 544 HA ASP 78 HA ASP 78 -3.989 -2.135 -8.710 545 HB2 ASP 78 2HB ASP 78 -5.544 -2.607 -10.506 546 HB3 ASP 78 1HB ASP 78 -5.735 -4.256 -9.943 547 H TRP 79 H TRP 79 -3.626 -5.619 -8.590 548 HA TRP 79 HA TRP 79 -4.770 -5.916 -6.007 549 HB2 TRP 79 2HB TRP 79 -3.902 -8.243 -6.106 550 HB3 TRP 79 1HB TRP 79 -4.838 -7.771 -7.521 551 HD1 TRP 79 HD TRP 79 -3.694 -7.873 -9.765 552 HE1 TRP 79 1HE TRP 79 -1.451 -8.856 -10.632 553 HE3 TRP 79 3HE TRP 79 -1.294 -8.473 -5.293 554 HZ2 TRP 79 2HZ TRP 79 0.997 -9.715 -9.546 555 HZ3 TRP 79 3HZ TRP 79 0.983 -9.353 -5.300 556 HH2 TRP 79 HH TRP 79 2.110 -9.965 -7.373 557 H LEU 80 H LEU 80 -1.645 -4.883 -7.040 558 HA LEU 80 HA LEU 80 -0.437 -5.762 -4.579 559 HB2 LEU 80 2HB LEU 80 0.840 -5.733 -6.742 560 HB3 LEU 80 1HB LEU 80 0.661 -3.981 -6.760 561 HG LEU 80 HG LEU 80 2.001 -3.787 -4.758 562 HD11 LEU 80 1HD1 LEU 80 1.421 -5.888 -3.678 563 HD12 LEU 80 2HD1 LEU 80 3.180 -5.763 -3.880 564 HD13 LEU 80 3HD1 LEU 80 2.232 -6.776 -4.971 565 HD21 LEU 80 1HD2 LEU 80 3.332 -5.564 -6.787 566 HD22 LEU 80 2HD2 LEU 80 4.149 -4.477 -5.664 567 HD23 LEU 80 3HD2 LEU 80 3.126 -3.826 -6.943 568 H ALA 81 H ALA 81 -0.963 -4.689 -2.848 569 HA ALA 81 HA ALA 81 -1.643 -1.807 -3.047 570 HB1 ALA 81 1HB ALA 81 -2.452 -3.794 -0.939 571 HB2 ALA 81 2HB ALA 81 -3.506 -3.202 -2.236 572 HB3 ALA 81 3HB ALA 81 -2.895 -2.097 -0.998 573 H ALA 82 H ALA 82 -1.185 -0.560 -1.247 574 HA ALA 82 HA ALA 82 0.823 -1.446 0.638 575 HB1 ALA 82 1HB ALA 82 2.345 0.408 0.168 576 HB2 ALA 82 2HB ALA 82 1.329 0.920 -1.179 577 HB3 ALA 82 3HB ALA 82 2.178 -0.627 -1.249 578 H GLU 83 H GLU 83 0.587 -0.448 2.575 579 HA GLU 83 HA GLU 83 -0.835 2.091 2.736 580 HB2 GLU 83 2HB GLU 83 -2.078 1.221 4.763 581 HB3 GLU 83 1HB GLU 83 -2.552 0.408 3.279 582 HG2 GLU 83 2HG GLU 83 -1.355 -1.493 3.868 583 HG3 GLU 83 1HG GLU 83 -0.533 -0.679 5.206 584 HA PRO 84 HA PRO 84 2.656 2.661 5.425 585 HB2 PRO 84 2HB PRO 84 1.982 4.877 6.793 586 HB3 PRO 84 1HB PRO 84 2.265 4.932 5.087 587 HG2 PRO 84 2HG PRO 84 -0.393 4.683 6.415 588 HG3 PRO 84 1HG PRO 84 0.127 5.841 5.167 589 HD2 PRO 84 2HD PRO 84 -1.195 3.629 4.417 590 HD3 PRO 84 1HD PRO 84 0.222 4.290 3.536 591 H TYR 85 H TYR 85 3.200 1.502 7.027 592 HA TYR 85 HA TYR 85 1.565 -0.236 8.262 593 HB2 TYR 85 2HB TYR 85 3.504 -1.276 8.992 594 HB3 TYR 85 1HB TYR 85 4.073 -0.156 7.862 595 HD1 TYR 85 1HD TYR 85 4.662 -1.402 11.035 596 HD2 TYR 85 2HD TYR 85 4.860 2.212 8.822 597 HE1 TYR 85 1HE TYR 85 6.366 -0.558 12.590 598 HE2 TYR 85 2HE TYR 85 6.574 3.067 10.367 599 HH TYR 85 HH TYR 85 7.352 2.708 12.599 Start of MODEL 18 1 H SER 7 1HT SER 7 -28.282 -7.989 0.626 2 HA SER 7 HA SER 7 -28.865 -5.705 0.133 3 HB2 SER 7 2HB SER 7 -27.392 -6.017 2.771 4 HB3 SER 7 1HB SER 7 -28.745 -4.928 2.444 5 HG SER 7 HG SER 7 -29.028 -7.169 3.468 6 H GLY 8 H GLY 8 -27.816 -4.366 -1.302 7 HA2 GLY 8 2HA GLY 8 -25.080 -3.623 -0.549 8 HA3 GLY 8 1HA GLY 8 -25.581 -3.889 -2.205 9 H ARG 9 H ARG 9 -24.977 -1.676 0.126 10 HA ARG 9 HA ARG 9 -25.631 0.471 -1.634 11 HB2 ARG 9 2HB ARG 9 -26.717 0.420 1.198 12 HB3 ARG 9 1HB ARG 9 -26.408 1.924 0.349 13 HG2 ARG 9 2HG ARG 9 -27.989 1.128 -1.434 14 HG3 ARG 9 1HG ARG 9 -28.397 -0.216 -0.372 15 HD2 ARG 9 2HD ARG 9 -28.697 2.708 0.320 16 HD3 ARG 9 1HD ARG 9 -30.004 1.655 -0.216 17 HE ARG 9 HE ARG 9 -28.844 0.444 1.970 18 HH11 ARG 9 1HH1 ARG 9 -30.584 3.504 1.394 19 HH12 ARG 9 2HH1 ARG 9 -31.254 3.545 2.949 20 HH21 ARG 9 1HH2 ARG 9 -29.723 0.567 4.077 21 HH22 ARG 9 2HH2 ARG 9 -30.753 1.848 4.517 22 H GLU 10 H GLU 10 -24.153 2.197 -1.332 23 HA GLU 10 HA GLU 10 -21.790 1.171 -0.076 24 HB2 GLU 10 2HB GLU 10 -22.158 3.549 -1.875 25 HB3 GLU 10 1HB GLU 10 -20.612 3.038 -1.199 26 HG2 GLU 10 2HG GLU 10 -20.803 0.897 -2.279 27 HG3 GLU 10 1HG GLU 10 -22.388 1.328 -2.901 28 H ASN 11 H ASN 11 -21.808 1.326 1.896 29 HA ASN 11 HA ASN 11 -22.108 3.931 3.237 30 HB2 ASN 11 2HB ASN 11 -22.332 1.116 4.384 31 HB3 ASN 11 1HB ASN 11 -22.441 2.597 5.321 32 HD21 ASN 11 1HD2 ASN 11 -24.064 0.448 3.133 33 HD22 ASN 11 2HD2 ASN 11 -25.633 1.133 3.324 34 H LEU 12 H LEU 12 -20.432 4.316 4.831 35 HA LEU 12 HA LEU 12 -17.880 3.580 4.024 36 HB2 LEU 12 2HB LEU 12 -18.904 4.773 6.565 37 HB3 LEU 12 1HB LEU 12 -17.218 4.317 6.402 38 HG LEU 12 HG LEU 12 -18.606 6.182 4.527 39 HD11 LEU 12 1HD1 LEU 12 -16.862 6.789 6.939 40 HD12 LEU 12 2HD1 LEU 12 -18.588 7.134 6.812 41 HD13 LEU 12 3HD1 LEU 12 -17.439 7.978 5.773 42 HD21 LEU 12 1HD2 LEU 12 -16.627 5.137 3.622 43 HD22 LEU 12 2HD2 LEU 12 -15.707 5.587 5.053 44 HD23 LEU 12 3HD2 LEU 12 -16.301 6.835 3.962 45 H TYR 13 H TYR 13 -16.449 2.251 4.707 46 HA TYR 13 HA TYR 13 -17.498 -0.277 5.560 47 HB2 TYR 13 2HB TYR 13 -15.552 0.144 3.905 48 HB3 TYR 13 1HB TYR 13 -14.566 0.375 5.344 49 HD1 TYR 13 1HD TYR 13 -13.828 -1.511 6.635 50 HD2 TYR 13 2HD TYR 13 -16.586 -2.024 3.454 51 HE1 TYR 13 1HE TYR 13 -13.486 -3.954 6.734 52 HE2 TYR 13 2HE TYR 13 -16.259 -4.445 3.540 53 HH TYR 13 HH TYR 13 -14.507 -5.982 4.271 54 H PHE 14 H PHE 14 -16.841 -1.387 7.422 55 HA PHE 14 HA PHE 14 -17.034 0.238 9.699 56 HB2 PHE 14 2HB PHE 14 -16.568 -2.749 9.470 57 HB3 PHE 14 1HB PHE 14 -17.143 -1.897 10.916 58 HD1 PHE 14 1HD PHE 14 -18.082 -3.230 7.675 59 HD2 PHE 14 2HD PHE 14 -19.317 -0.689 10.861 60 HE1 PHE 14 1HE PHE 14 -20.373 -3.223 6.777 61 HE2 PHE 14 2HE PHE 14 -21.609 -0.694 9.969 62 HZ PHE 14 HZ PHE 14 -22.137 -1.950 7.929 63 H GLN 15 H GLN 15 -15.650 1.006 10.953 64 HA GLN 15 HA GLN 15 -13.171 1.666 10.086 65 HB2 GLN 15 2HB GLN 15 -14.260 1.791 12.882 66 HB3 GLN 15 1HB GLN 15 -12.806 2.616 12.334 67 HG2 GLN 15 2HG GLN 15 -14.047 3.937 10.784 68 HG3 GLN 15 1HG GLN 15 -15.499 2.988 11.076 69 HE21 GLN 15 1HE2 GLN 15 -16.662 4.814 11.621 70 HE22 GLN 15 2HE2 GLN 15 -16.460 5.625 13.128 71 H GLY 16 H GLY 16 -11.536 0.597 9.733 72 HA2 GLY 16 2HA GLY 16 -10.529 -1.434 11.596 73 HA3 GLY 16 1HA GLY 16 -10.113 -1.328 9.877 74 H HIS 17 H HIS 17 -7.903 -1.336 11.232 75 HA HIS 17 HA HIS 17 -7.185 1.170 12.314 76 HB2 HIS 17 2HB HIS 17 -5.470 -1.129 11.370 77 HB3 HIS 17 1HB HIS 17 -4.814 0.325 12.117 78 HD1 HIS 17 1HD HIS 17 -6.403 -2.911 12.935 79 HD2 HIS 17 2HD HIS 17 -5.558 0.674 14.842 80 HE1 HIS 17 1HE HIS 17 -6.649 -3.362 15.407 81 H MET 18 H MET 18 -6.797 2.944 11.359 82 HA MET 18 HA MET 18 -6.904 3.130 8.507 83 HB2 MET 18 2HB MET 18 -6.686 5.199 10.671 84 HB3 MET 18 1HB MET 18 -6.615 5.616 8.965 85 HG2 MET 18 2HG MET 18 -8.903 4.231 10.342 86 HG3 MET 18 1HG MET 18 -8.837 5.938 9.887 87 HE1 MET 18 1HE MET 18 -11.406 4.451 7.329 88 HE2 MET 18 2HE MET 18 -11.126 5.676 8.570 89 HE3 MET 18 3HE MET 18 -11.190 3.965 9.013 90 H ALA 19 H ALA 19 -5.483 4.593 7.354 91 HA ALA 19 HA ALA 19 -2.799 3.629 7.460 92 HB1 ALA 19 1HB ALA 19 -4.004 5.866 5.824 93 HB2 ALA 19 2HB ALA 19 -3.906 4.173 5.336 94 HB3 ALA 19 3HB ALA 19 -2.431 5.119 5.545 95 H ALA 20 H ALA 20 -1.559 4.257 9.056 96 HA ALA 20 HA ALA 20 -1.795 6.946 10.185 97 HB1 ALA 20 1HB ALA 20 -0.412 4.474 11.202 98 HB2 ALA 20 2HB ALA 20 -2.017 5.027 11.678 99 HB3 ALA 20 3HB ALA 20 -0.595 5.991 12.086 100 HA PRO 21 HA PRO 21 2.237 8.173 8.629 101 HB2 PRO 21 2HB PRO 21 3.079 9.703 10.752 102 HB3 PRO 21 1HB PRO 21 1.906 10.296 9.560 103 HG2 PRO 21 2HG PRO 21 1.421 9.173 12.260 104 HG3 PRO 21 1HG PRO 21 0.654 10.560 11.448 105 HD2 PRO 21 2HD PRO 21 -0.568 8.188 11.620 106 HD3 PRO 21 1HD PRO 21 -0.746 9.226 10.193 107 H ALA 22 H ALA 22 3.619 6.529 8.602 108 HA ALA 22 HA ALA 22 4.917 5.766 11.114 109 HB1 ALA 22 1HB ALA 22 3.027 4.224 10.791 110 HB2 ALA 22 2HB ALA 22 4.580 3.382 10.706 111 HB3 ALA 22 3HB ALA 22 3.700 3.768 9.232 112 H ARG 23 H ARG 23 5.351 6.824 8.373 113 HA ARG 23 HA ARG 23 6.802 6.743 6.601 114 HB2 ARG 23 2HB ARG 23 8.643 6.468 8.968 115 HB3 ARG 23 1HB ARG 23 9.186 6.892 7.344 116 HG2 ARG 23 2HG ARG 23 7.728 8.842 7.349 117 HG3 ARG 23 1HG ARG 23 7.171 8.413 8.959 118 HD2 ARG 23 2HD ARG 23 9.444 8.715 9.811 119 HD3 ARG 23 1HD ARG 23 9.981 9.157 8.182 120 HE ARG 23 HE ARG 23 7.992 10.675 9.728 121 HH11 ARG 23 1HH1 ARG 23 10.848 10.636 7.593 122 HH12 ARG 23 2HH1 ARG 23 10.888 12.325 7.432 123 HH21 ARG 23 1HH2 ARG 23 8.118 13.004 9.493 124 HH22 ARG 23 2HH2 ARG 23 9.316 13.680 8.499 125 H SER 24 H SER 24 5.590 4.334 6.739 126 HA SER 24 HA SER 24 7.564 2.608 5.476 127 HB2 SER 24 2HB SER 24 5.679 1.640 7.607 128 HB3 SER 24 1HB SER 24 6.927 0.706 6.782 129 HG SER 24 HG SER 24 7.298 2.826 8.640 130 H CYS 25 H CYS 25 6.484 1.737 3.633 131 HA CYS 25 HA CYS 25 3.568 1.696 3.774 132 HB2 CYS 25 2HB CYS 25 5.465 1.918 1.428 133 HB3 CYS 25 1HB CYS 25 3.820 1.308 1.222 134 H VAL 26 H VAL 26 2.675 -0.252 3.725 135 HA VAL 26 HA VAL 26 4.563 -2.475 3.724 136 HB VAL 26 HB VAL 26 1.760 -2.446 4.879 137 HG11 VAL 26 1HG1 VAL 26 4.233 -3.963 5.589 138 HG12 VAL 26 2HG1 VAL 26 2.867 -4.614 4.655 139 HG13 VAL 26 3HG1 VAL 26 2.654 -4.113 6.346 140 HG21 VAL 26 1HG2 VAL 26 4.259 -1.585 6.209 141 HG22 VAL 26 2HG2 VAL 26 2.649 -1.825 6.953 142 HG23 VAL 26 3HG2 VAL 26 2.888 -0.585 5.721 143 H TYR 27 H TYR 27 4.426 -3.732 2.071 144 HA TYR 27 HA TYR 27 2.297 -3.232 0.198 145 HB2 TYR 27 2HB TYR 27 4.984 -4.575 -0.134 146 HB3 TYR 27 1HB TYR 27 3.773 -4.500 -1.417 147 HD1 TYR 27 1HD TYR 27 5.545 -2.243 0.970 148 HD2 TYR 27 2HD TYR 27 3.849 -2.682 -2.892 149 HE1 TYR 27 1HE TYR 27 6.301 0.008 0.407 150 HE2 TYR 27 2HE TYR 27 4.626 -0.398 -3.464 151 HH TYR 27 HH TYR 27 5.217 1.688 -2.337 152 H TYR 28 H TYR 28 0.851 -4.561 -0.352 153 HA TYR 28 HA TYR 28 0.820 -7.196 0.881 154 HB2 TYR 28 2HB TYR 28 -1.459 -5.219 0.691 155 HB3 TYR 28 1HB TYR 28 -1.540 -6.942 1.053 156 HD1 TYR 28 1HD TYR 28 -1.222 -7.746 3.228 157 HD2 TYR 28 2HD TYR 28 -0.316 -3.674 2.409 158 HE1 TYR 28 1HE TYR 28 -1.014 -7.327 5.624 159 HE2 TYR 28 2HE TYR 28 -0.102 -3.250 4.807 160 HH TYR 28 HH TYR 28 0.040 -5.760 7.135 161 H ASP 29 H ASP 29 -0.899 -8.439 -0.068 162 HA ASP 29 HA ASP 29 -1.087 -8.109 -3.023 163 HB2 ASP 29 2HB ASP 29 0.388 -9.993 -2.368 164 HB3 ASP 29 1HB ASP 29 -0.864 -10.583 -1.286 165 H GLY 30 H GLY 30 -3.134 -7.266 -3.116 166 HA2 GLY 30 2HA GLY 30 -5.304 -8.945 -2.593 167 HA3 GLY 30 1HA GLY 30 -5.262 -7.768 -1.309 168 H HIS 31 H HIS 31 -7.088 -8.264 -3.495 169 HA HIS 31 HA HIS 31 -6.904 -5.847 -5.103 170 HB2 HIS 31 2HB HIS 31 -9.163 -7.852 -4.847 171 HB3 HIS 31 1HB HIS 31 -9.113 -6.507 -5.990 172 HD1 HIS 31 1HD HIS 31 -7.581 -6.845 -8.127 173 HD2 HIS 31 2HD HIS 31 -7.629 -10.052 -5.465 174 HE1 HIS 31 1HE HIS 31 -6.599 -8.808 -9.350 175 H LEU 32 H LEU 32 -8.669 -7.153 -2.412 176 HA LEU 32 HA LEU 32 -10.102 -4.636 -1.939 177 HB2 LEU 32 2HB LEU 32 -10.374 -7.438 -0.844 178 HB3 LEU 32 1HB LEU 32 -11.131 -6.073 -0.071 179 HG LEU 32 HG LEU 32 -12.505 -5.726 -2.046 180 HD11 LEU 32 1HD1 LEU 32 -12.661 -7.476 -3.790 181 HD12 LEU 32 2HD1 LEU 32 -11.281 -8.305 -3.069 182 HD13 LEU 32 3HD1 LEU 32 -11.074 -6.709 -3.790 183 HD21 LEU 32 1HD2 LEU 32 -13.350 -7.025 -0.216 184 HD22 LEU 32 2HD2 LEU 32 -12.610 -8.484 -0.865 185 HD23 LEU 32 3HD2 LEU 32 -13.936 -7.712 -1.730 186 HA PRO 33 HA PRO 33 -7.311 -3.762 1.501 187 HB2 PRO 33 2HB PRO 33 -9.218 -3.005 3.396 188 HB3 PRO 33 1HB PRO 33 -8.508 -1.904 2.197 189 HG2 PRO 33 2HG PRO 33 -11.126 -3.288 2.154 190 HG3 PRO 33 1HG PRO 33 -10.687 -1.671 1.567 191 HD2 PRO 33 2HD PRO 33 -11.049 -3.711 -0.124 192 HD3 PRO 33 1HD PRO 33 -9.806 -2.463 -0.406 193 H ALA 34 H ALA 34 -10.152 -5.674 1.744 194 HA ALA 34 HA ALA 34 -9.626 -6.968 4.206 195 HB1 ALA 34 1HB ALA 34 -11.405 -8.487 3.547 196 HB2 ALA 34 2HB ALA 34 -11.369 -7.834 1.908 197 HB3 ALA 34 3HB ALA 34 -11.861 -6.807 3.258 198 H THR 35 H THR 35 -8.829 -7.785 0.817 199 HA THR 35 HA THR 35 -8.098 -10.452 1.647 200 HB THR 35 HB THR 35 -7.889 -10.873 -0.838 201 HG1 THR 35 1HG THR 35 -9.230 -9.243 -1.961 202 HG21 THR 35 1HG2 THR 35 -9.877 -11.445 0.466 203 HG22 THR 35 2HG2 THR 35 -10.312 -10.918 -1.161 204 HG23 THR 35 3HG2 THR 35 -10.517 -9.824 0.207 205 H ARG 36 H ARG 36 -6.384 -7.735 1.777 206 HA ARG 36 HA ARG 36 -4.043 -8.252 0.366 207 HB2 ARG 36 2HB ARG 36 -4.481 -6.714 2.888 208 HB3 ARG 36 1HB ARG 36 -3.108 -6.555 1.867 209 HG2 ARG 36 2HG ARG 36 -4.440 -5.817 -0.001 210 HG3 ARG 36 1HG ARG 36 -5.908 -6.011 0.952 211 HD2 ARG 36 2HD ARG 36 -5.190 -4.284 2.470 212 HD3 ARG 36 1HD ARG 36 -3.647 -4.173 1.604 213 HE ARG 36 HE ARG 36 -5.599 -3.857 -0.275 214 HH11 ARG 36 1HH1 ARG 36 -4.644 -1.985 2.632 215 HH12 ARG 36 2HH1 ARG 36 -5.231 -0.538 2.001 216 HH21 ARG 36 1HH2 ARG 36 -6.318 -1.829 -1.091 217 HH22 ARG 36 2HH2 ARG 36 -6.202 -0.409 -0.161 218 H VAL 37 H VAL 37 -2.480 -9.543 0.649 219 HA VAL 37 HA VAL 37 -1.990 -11.024 3.157 220 HB VAL 37 HB VAL 37 -0.844 -11.483 0.387 221 HG11 VAL 37 1HG1 VAL 37 0.558 -12.386 2.114 222 HG12 VAL 37 2HG1 VAL 37 -0.203 -13.684 1.196 223 HG13 VAL 37 3HG1 VAL 37 -0.807 -13.266 2.801 224 HG21 VAL 37 1HG2 VAL 37 -2.402 -13.373 0.186 225 HG22 VAL 37 2HG2 VAL 37 -3.243 -11.826 0.317 226 HG23 VAL 37 3HG2 VAL 37 -3.149 -12.897 1.712 227 H LEU 38 H LEU 38 -0.101 -10.637 4.251 228 HA LEU 38 HA LEU 38 1.307 -8.239 3.766 229 HB2 LEU 38 2HB LEU 38 0.828 -9.301 5.984 230 HB3 LEU 38 1HB LEU 38 1.998 -10.532 5.609 231 HG LEU 38 HG LEU 38 2.798 -8.887 7.247 232 HD11 LEU 38 1HD1 LEU 38 4.493 -9.991 5.927 233 HD12 LEU 38 2HD1 LEU 38 4.962 -8.329 6.289 234 HD13 LEU 38 3HD1 LEU 38 4.358 -8.747 4.685 235 HD21 LEU 38 1HD2 LEU 38 3.313 -6.615 6.589 236 HD22 LEU 38 2HD2 LEU 38 1.584 -6.960 6.472 237 HD23 LEU 38 3HD2 LEU 38 2.577 -6.905 5.018 238 H LEU 39 H LEU 39 2.731 -7.988 2.137 239 HA LEU 39 HA LEU 39 4.394 -10.237 1.349 240 HB2 LEU 39 2HB LEU 39 4.147 -7.479 0.167 241 HB3 LEU 39 1HB LEU 39 5.097 -8.792 -0.504 242 HG LEU 39 HG LEU 39 2.095 -8.769 -0.208 243 HD11 LEU 39 1HD1 LEU 39 2.873 -7.258 -1.940 244 HD12 LEU 39 2HD1 LEU 39 2.081 -8.672 -2.635 245 HD13 LEU 39 3HD1 LEU 39 3.840 -8.553 -2.650 246 HD21 LEU 39 1HD2 LEU 39 2.982 -10.977 0.047 247 HD22 LEU 39 2HD2 LEU 39 3.974 -10.778 -1.397 248 HD23 LEU 39 3HD2 LEU 39 2.206 -10.828 -1.535 249 H MET 40 H MET 40 5.007 -6.778 2.114 250 HA MET 40 HA MET 40 7.341 -7.405 3.677 251 HB2 MET 40 2HB MET 40 7.995 -7.644 1.232 252 HB3 MET 40 1HB MET 40 7.624 -5.924 1.078 253 HG2 MET 40 2HG MET 40 9.288 -5.375 2.726 254 HG3 MET 40 1HG MET 40 9.510 -7.118 2.963 255 HE1 MET 40 1HE MET 40 11.251 -8.189 -0.387 256 HE2 MET 40 2HE MET 40 9.539 -8.250 0.004 257 HE3 MET 40 3HE MET 40 10.735 -8.702 1.218 258 H TYR 41 H TYR 41 8.079 -5.610 4.785 259 HA TYR 41 HA TYR 41 6.428 -3.191 4.738 260 HB2 TYR 41 2HB TYR 41 8.611 -4.127 6.635 261 HB3 TYR 41 1HB TYR 41 7.724 -2.624 6.793 262 HD1 TYR 41 1HD TYR 41 5.594 -2.573 7.829 263 HD2 TYR 41 2HD TYR 41 7.444 -6.309 6.990 264 HE1 TYR 41 1HE TYR 41 3.925 -3.703 9.226 265 HE2 TYR 41 2HE TYR 41 5.774 -7.452 8.381 266 HH TYR 41 HH TYR 41 4.313 -6.840 10.278 267 H VAL 42 H VAL 42 7.196 -1.466 3.593 268 HA VAL 42 HA VAL 42 10.082 -1.404 3.053 269 HB VAL 42 HB VAL 42 7.929 -0.184 1.367 270 HG11 VAL 42 1HG1 VAL 42 9.724 0.062 -0.300 271 HG12 VAL 42 2HG1 VAL 42 10.876 -0.589 0.862 272 HG13 VAL 42 3HG1 VAL 42 10.072 0.947 1.185 273 HG21 VAL 42 1HG2 VAL 42 7.740 -2.577 1.330 274 HG22 VAL 42 2HG2 VAL 42 9.462 -2.741 0.964 275 HG23 VAL 42 3HG2 VAL 42 8.361 -1.990 -0.216 276 H ARG 43 H ARG 43 10.970 0.157 4.287 277 HA ARG 43 HA ARG 43 9.617 2.261 5.497 278 HB2 ARG 43 2HB ARG 43 12.471 1.818 4.835 279 HB3 ARG 43 1HB ARG 43 12.012 3.357 5.494 280 HG2 ARG 43 2HG ARG 43 11.951 0.631 6.801 281 HG3 ARG 43 1HG ARG 43 12.792 2.143 7.189 282 HD2 ARG 43 2HD ARG 43 10.826 3.220 7.930 283 HD3 ARG 43 1HD ARG 43 9.813 1.892 7.382 284 HE ARG 43 HE ARG 43 11.422 0.674 9.104 285 HH11 ARG 43 1HH1 ARG 43 9.576 3.647 9.448 286 HH12 ARG 43 2HH1 ARG 43 9.211 3.431 11.103 287 HH21 ARG 43 1HH2 ARG 43 10.881 0.331 11.406 288 HH22 ARG 43 2HH2 ARG 43 9.957 1.510 12.208 289 H ILE 44 H ILE 44 9.320 4.204 5.064 290 HA ILE 44 HA ILE 44 9.108 5.019 2.281 291 HB ILE 44 HB ILE 44 8.913 6.939 4.622 292 HG12 ILE 44 2HG1 ILE 44 7.329 5.165 4.738 293 HG13 ILE 44 1HG1 ILE 44 6.508 6.711 4.481 294 HG21 ILE 44 1HG2 ILE 44 7.693 8.399 3.073 295 HG22 ILE 44 2HG2 ILE 44 7.978 7.245 1.770 296 HG23 ILE 44 3HG2 ILE 44 9.338 8.083 2.515 297 HD11 ILE 44 1HD1 ILE 44 6.195 5.968 2.106 298 HD12 ILE 44 2HD1 ILE 44 5.432 4.953 3.322 299 HD13 ILE 44 3HD1 ILE 44 6.917 4.410 2.570 300 H GLY 45 H GLY 45 10.500 5.835 1.064 301 HA2 GLY 45 2HA GLY 45 12.297 7.359 0.530 302 HA3 GLY 45 1HA GLY 45 12.898 7.148 2.174 303 H ASN 46 H ASN 46 12.047 4.242 1.653 304 HA ASN 46 HA ASN 46 14.682 3.393 0.704 305 HB2 ASN 46 2HB ASN 46 14.183 2.868 2.953 306 HB3 ASN 46 1HB ASN 46 12.623 2.204 2.441 307 HD21 ASN 46 1HD2 ASN 46 13.066 0.291 3.519 308 HD22 ASN 46 2HD2 ASN 46 14.198 -0.866 2.934 309 H THR 47 H THR 47 14.748 1.470 -0.427 310 HA THR 47 HA THR 47 12.466 1.027 -2.218 311 HB THR 47 HB THR 47 14.135 0.191 -3.794 312 HG1 THR 47 1HG THR 47 16.229 0.506 -3.496 313 HG21 THR 47 1HG2 THR 47 14.828 2.462 -4.642 314 HG22 THR 47 2HG2 THR 47 14.252 3.142 -3.119 315 HG23 THR 47 3HG2 THR 47 13.125 2.339 -4.214 316 H ALA 48 H ALA 48 12.156 -1.068 -2.871 317 HA ALA 48 HA ALA 48 13.602 -3.226 -1.497 318 HB1 ALA 48 1HB ALA 48 10.668 -2.804 -0.974 319 HB2 ALA 48 2HB ALA 48 11.962 -2.524 0.186 320 HB3 ALA 48 3HB ALA 48 11.636 -4.158 -0.400 321 H THR 49 H THR 49 13.352 -5.235 -2.398 322 HA THR 49 HA THR 49 11.812 -5.313 -4.891 323 HB THR 49 HB THR 49 13.977 -7.223 -3.978 324 HG1 THR 49 1HG THR 49 14.259 -4.705 -4.568 325 HG21 THR 49 1HG2 THR 49 12.830 -6.574 -6.695 326 HG22 THR 49 2HG2 THR 49 12.466 -8.013 -5.744 327 HG23 THR 49 3HG2 THR 49 14.097 -7.757 -6.365 328 H ILE 50 H ILE 50 9.921 -6.192 -4.648 329 HA ILE 50 HA ILE 50 9.299 -8.026 -2.426 330 HB ILE 50 HB ILE 50 7.396 -7.023 -4.519 331 HG12 ILE 50 2HG1 ILE 50 8.500 -4.995 -3.739 332 HG13 ILE 50 1HG1 ILE 50 6.827 -5.063 -3.176 333 HG21 ILE 50 1HG2 ILE 50 7.013 -7.740 -1.628 334 HG22 ILE 50 2HG2 ILE 50 6.573 -8.715 -3.031 335 HG23 ILE 50 3HG2 ILE 50 5.743 -7.191 -2.720 336 HD11 ILE 50 1HD1 ILE 50 8.318 -4.212 -1.476 337 HD12 ILE 50 2HD1 ILE 50 9.287 -5.697 -1.602 338 HD13 ILE 50 3HD1 ILE 50 7.624 -5.777 -1.001 339 H THR 51 H THR 51 9.779 -10.146 -3.066 340 HA THR 51 HA THR 51 8.919 -10.867 -5.765 341 HB THR 51 HB THR 51 9.670 -12.755 -3.553 342 HG1 THR 51 1HG THR 51 11.216 -10.933 -4.455 343 HG21 THR 51 1HG2 THR 51 8.636 -13.760 -5.530 344 HG22 THR 51 2HG2 THR 51 10.329 -14.242 -5.429 345 HG23 THR 51 3HG2 THR 51 9.835 -12.995 -6.568 346 H ALA 52 H ALA 52 6.889 -11.333 -6.147 347 HA ALA 52 HA ALA 52 5.182 -12.630 -4.208 348 HB1 ALA 52 1HB ALA 52 3.402 -10.936 -4.496 349 HB2 ALA 52 2HB ALA 52 4.519 -9.935 -5.422 350 HB3 ALA 52 3HB ALA 52 4.831 -10.261 -3.719 351 H ARG 53 H ARG 53 4.067 -14.097 -5.269 352 HA ARG 53 HA ARG 53 3.125 -15.367 -6.826 353 HB2 ARG 53 2HB ARG 53 2.676 -12.759 -8.296 354 HB3 ARG 53 1HB ARG 53 1.884 -14.289 -8.684 355 HG2 ARG 53 2HG ARG 53 0.857 -14.271 -6.433 356 HG3 ARG 53 1HG ARG 53 1.600 -12.686 -6.154 357 HD2 ARG 53 2HD ARG 53 0.381 -11.820 -8.127 358 HD3 ARG 53 1HD ARG 53 -0.405 -13.385 -8.294 359 HE ARG 53 HE ARG 53 -0.697 -12.058 -5.731 360 HH11 ARG 53 1HH1 ARG 53 -2.146 -12.570 -8.927 361 HH12 ARG 53 2HH1 ARG 53 -3.730 -12.285 -8.377 362 HH21 ARG 53 1HH2 ARG 53 -2.839 -11.594 -5.038 363 HH22 ARG 53 2HH2 ARG 53 -4.153 -11.722 -6.112 364 H GLY 54 H GLY 54 5.897 -14.698 -6.927 365 HA2 GLY 54 2HA GLY 54 7.601 -15.777 -8.170 366 HA3 GLY 54 1HA GLY 54 6.492 -15.878 -9.542 367 H HIS 55 H HIS 55 6.158 -12.804 -8.605 368 HA HIS 55 HA HIS 55 8.150 -11.883 -10.577 369 HB2 HIS 55 2HB HIS 55 5.715 -10.483 -9.443 370 HB3 HIS 55 1HB HIS 55 6.795 -9.845 -10.685 371 HD1 HIS 55 1HD HIS 55 6.389 -10.672 -13.094 372 HD2 HIS 55 2HD HIS 55 3.881 -12.396 -10.273 373 HE1 HIS 55 1HE HIS 55 4.527 -11.773 -14.392 374 H GLU 56 H GLU 56 9.509 -10.193 -10.056 375 HA GLU 56 HA GLU 56 9.607 -9.497 -7.221 376 HB2 GLU 56 2HB GLU 56 11.697 -9.936 -9.240 377 HB3 GLU 56 1HB GLU 56 11.985 -8.623 -8.101 378 HG2 GLU 56 2HG GLU 56 11.843 -10.008 -6.276 379 HG3 GLU 56 1HG GLU 56 11.171 -11.355 -7.147 380 H PHE 57 H PHE 57 8.873 -7.557 -6.776 381 HA PHE 57 HA PHE 57 8.818 -5.510 -8.892 382 HB2 PHE 57 2HB PHE 57 7.232 -5.755 -6.326 383 HB3 PHE 57 1HB PHE 57 7.052 -4.493 -7.544 384 HD1 PHE 57 1HD PHE 57 6.020 -5.031 -9.711 385 HD2 PHE 57 2HD PHE 57 6.240 -7.880 -6.561 386 HE1 PHE 57 1HE PHE 57 4.288 -6.377 -10.814 387 HE2 PHE 57 2HE PHE 57 4.516 -9.237 -7.659 388 HZ PHE 57 HZ PHE 57 3.528 -8.484 -9.781 389 H GLU 58 H GLU 58 10.623 -4.227 -8.628 390 HA GLU 58 HA GLU 58 11.413 -3.719 -5.879 391 HB2 GLU 58 2HB GLU 58 13.228 -4.131 -7.600 392 HB3 GLU 58 1HB GLU 58 12.705 -2.645 -8.408 393 HG2 GLU 58 2HG GLU 58 13.143 -1.416 -6.318 394 HG3 GLU 58 1HG GLU 58 13.783 -2.932 -5.690 395 H VAL 59 H VAL 59 10.405 -2.235 -4.884 396 HA VAL 59 HA VAL 59 9.007 -0.166 -6.449 397 HB VAL 59 HB VAL 59 7.521 0.127 -4.615 398 HG11 VAL 59 1HG1 VAL 59 6.549 -2.096 -4.234 399 HG12 VAL 59 2HG1 VAL 59 7.975 -2.831 -4.971 400 HG13 VAL 59 3HG1 VAL 59 6.913 -1.800 -5.928 401 HG21 VAL 59 1HG2 VAL 59 9.124 0.062 -2.923 402 HG22 VAL 59 2HG2 VAL 59 9.327 -1.694 -3.145 403 HG23 VAL 59 3HG2 VAL 59 7.765 -1.029 -2.530 404 H GLU 60 H GLU 60 8.822 1.893 -5.535 405 HA GLU 60 HA GLU 60 11.157 2.676 -3.970 406 HB2 GLU 60 2HB GLU 60 11.423 3.353 -6.295 407 HB3 GLU 60 1HB GLU 60 9.826 4.112 -6.302 408 HG2 GLU 60 2HG GLU 60 10.659 5.779 -4.701 409 HG3 GLU 60 1HG GLU 60 12.222 4.981 -4.696 410 H ALA 61 H ALA 61 10.225 2.887 -2.041 411 HA ALA 61 HA ALA 61 7.516 3.853 -1.827 412 HB1 ALA 61 1HB ALA 61 7.817 3.728 0.606 413 HB2 ALA 61 2HB ALA 61 9.537 3.421 0.381 414 HB3 ALA 61 3HB ALA 61 8.353 2.235 -0.169 415 H LYS 62 H LYS 62 7.558 5.703 -2.778 416 HA LYS 62 HA LYS 62 9.388 7.848 -2.283 417 HB2 LYS 62 2HB LYS 62 6.672 8.159 -3.532 418 HB3 LYS 62 1HB LYS 62 8.132 9.086 -3.851 419 HG2 LYS 62 2HG LYS 62 9.145 7.024 -4.722 420 HG3 LYS 62 1HG LYS 62 7.573 6.236 -4.603 421 HD2 LYS 62 2HD LYS 62 7.795 6.937 -6.871 422 HD3 LYS 62 1HD LYS 62 6.673 8.060 -6.103 423 HE2 LYS 62 2HE LYS 62 8.466 9.684 -5.828 424 HE3 LYS 62 1HE LYS 62 9.614 8.550 -6.529 425 HZ1 LYS 62 1HZ LYS 62 8.279 8.625 -8.598 426 HZ2 LYS 62 2HZ LYS 62 8.969 10.083 -8.176 427 HZ3 LYS 62 3HZ LYS 62 7.322 9.844 -7.899 428 H ASP 63 H ASP 63 6.019 7.332 -1.498 429 HA ASP 63 HA ASP 63 6.084 9.368 0.610 430 HB2 ASP 63 2HB ASP 63 5.467 10.555 -1.411 431 HB3 ASP 63 1HB ASP 63 4.299 9.317 -1.831 432 H GLN 64 H GLN 64 4.193 9.047 2.132 433 HA GLN 64 HA GLN 64 3.534 6.256 1.957 434 HB2 GLN 64 2HB GLN 64 2.868 6.215 4.275 435 HB3 GLN 64 1HB GLN 64 4.513 6.750 4.049 436 HG2 GLN 64 2HG GLN 64 4.010 8.911 4.752 437 HG3 GLN 64 1HG GLN 64 2.268 8.674 4.514 438 HE21 GLN 64 1HE2 GLN 64 1.165 7.389 5.853 439 HE22 GLN 64 2HE2 GLN 64 1.633 6.925 7.436 440 H ASN 65 H ASN 65 2.077 8.173 0.356 441 HA ASN 65 HA ASN 65 -0.574 7.520 1.289 442 HB2 ASN 65 2HB ASN 65 0.444 8.761 -1.251 443 HB3 ASN 65 1HB ASN 65 -1.202 8.109 -1.186 444 HD21 ASN 65 1HD2 ASN 65 0.975 10.535 0.066 445 HD22 ASN 65 2HD2 ASN 65 -0.236 11.531 0.786 446 H CYS 66 H CYS 66 2.002 6.123 -0.183 447 HA CYS 66 HA CYS 66 2.577 4.065 -0.561 448 HB2 CYS 66 2HB CYS 66 -0.031 3.463 0.783 449 HB3 CYS 66 1HB CYS 66 1.160 2.226 0.335 450 H LYS 67 H LYS 67 1.294 5.485 -2.651 451 HA LYS 67 HA LYS 67 -0.039 3.678 -4.258 452 HB2 LYS 67 2HB LYS 67 0.433 6.230 -4.551 453 HB3 LYS 67 1HB LYS 67 1.957 5.707 -5.237 454 HG2 LYS 67 2HG LYS 67 0.522 6.093 -7.060 455 HG3 LYS 67 1HG LYS 67 0.628 4.347 -6.876 456 HD2 LYS 67 2HD LYS 67 -1.383 5.586 -5.278 457 HD3 LYS 67 1HD LYS 67 -1.752 5.753 -7.017 458 HE2 LYS 67 2HE LYS 67 -1.469 3.220 -7.112 459 HE3 LYS 67 1HE LYS 67 -1.379 3.220 -5.359 460 HZ1 LYS 67 1HZ LYS 67 -3.602 4.221 -5.301 461 HZ2 LYS 67 2HZ LYS 67 -3.575 2.712 -6.086 462 HZ3 LYS 67 3HZ LYS 67 -3.671 4.114 -6.997 463 H VAL 68 H VAL 68 0.805 1.989 -5.336 464 HA VAL 68 HA VAL 68 3.568 1.421 -4.815 465 HB VAL 68 HB VAL 68 2.178 -0.461 -4.402 466 HG11 VAL 68 1HG1 VAL 68 0.286 0.039 -5.809 467 HG12 VAL 68 2HG1 VAL 68 0.865 -1.591 -6.154 468 HG13 VAL 68 3HG1 VAL 68 1.245 -0.262 -7.256 469 HG21 VAL 68 1HG2 VAL 68 3.714 -0.951 -6.945 470 HG22 VAL 68 2HG2 VAL 68 3.277 -2.172 -5.751 471 HG23 VAL 68 3HG2 VAL 68 4.425 -0.907 -5.344 472 H ILE 69 H ILE 69 4.897 2.408 -5.866 473 HA ILE 69 HA ILE 69 4.706 2.612 -8.789 474 HB ILE 69 HB ILE 69 6.089 4.470 -6.802 475 HG12 ILE 69 2HG1 ILE 69 3.689 5.038 -8.526 476 HG13 ILE 69 1HG1 ILE 69 3.579 4.448 -6.872 477 HG21 ILE 69 1HG2 ILE 69 5.707 4.714 -9.794 478 HG22 ILE 69 2HG2 ILE 69 7.223 4.337 -8.980 479 HG23 ILE 69 3HG2 ILE 69 6.469 5.918 -8.753 480 HD11 ILE 69 1HD1 ILE 69 4.730 6.483 -6.104 481 HD12 ILE 69 2HD1 ILE 69 3.270 6.883 -7.005 482 HD13 ILE 69 3HD1 ILE 69 4.854 7.040 -7.772 483 H LEU 70 H LEU 70 6.229 1.442 -9.687 484 HA LEU 70 HA LEU 70 8.118 0.253 -7.931 485 HB2 LEU 70 2HB LEU 70 7.877 -0.189 -10.890 486 HB3 LEU 70 1HB LEU 70 8.909 -1.070 -9.799 487 HG LEU 70 HG LEU 70 7.166 -2.557 -10.141 488 HD11 LEU 70 1HD1 LEU 70 5.825 -2.712 -8.192 489 HD12 LEU 70 2HD1 LEU 70 6.288 -1.074 -7.742 490 HD13 LEU 70 3HD1 LEU 70 7.511 -2.345 -7.826 491 HD21 LEU 70 1HD2 LEU 70 5.234 -0.306 -9.956 492 HD22 LEU 70 2HD2 LEU 70 4.896 -2.004 -10.396 493 HD23 LEU 70 3HD2 LEU 70 5.882 -0.982 -11.447 494 H THR 71 H THR 71 10.319 0.113 -8.594 495 HA THR 71 HA THR 71 11.531 2.644 -9.022 496 HB THR 71 HB THR 71 13.691 1.433 -9.321 497 HG1 THR 71 1HG THR 71 13.587 -0.831 -8.950 498 HG21 THR 71 1HG2 THR 71 13.667 0.495 -7.064 499 HG22 THR 71 2HG2 THR 71 11.896 0.532 -7.102 500 HG23 THR 71 3HG2 THR 71 12.809 2.047 -7.146 501 H ASN 72 H ASN 72 10.446 0.307 -11.287 502 HA ASN 72 HA ASN 72 11.790 1.513 -13.496 503 HB2 ASN 72 2HB ASN 72 10.284 0.103 -14.907 504 HB3 ASN 72 1HB ASN 72 11.282 -0.794 -13.755 505 HD21 ASN 72 1HD2 ASN 72 8.093 0.152 -14.663 506 HD22 ASN 72 2HD2 ASN 72 7.257 -0.950 -13.609 507 H GLY 73 H GLY 73 9.331 2.639 -11.595 508 HA2 GLY 73 2HA GLY 73 8.694 4.844 -11.834 509 HA3 GLY 73 1HA GLY 73 8.895 4.696 -13.584 510 H LYS 74 H LYS 74 7.459 2.122 -13.538 511 HA LYS 74 HA LYS 74 4.975 3.356 -13.910 512 HB2 LYS 74 2HB LYS 74 5.799 0.505 -14.350 513 HB3 LYS 74 1HB LYS 74 4.286 1.200 -14.927 514 HG2 LYS 74 2HG LYS 74 5.555 2.780 -16.280 515 HG3 LYS 74 1HG LYS 74 7.047 2.037 -15.717 516 HD2 LYS 74 2HD LYS 74 4.880 0.680 -17.342 517 HD3 LYS 74 1HD LYS 74 6.457 1.300 -17.861 518 HE2 LYS 74 2HE LYS 74 7.607 -0.325 -16.501 519 HE3 LYS 74 1HE LYS 74 6.086 -0.915 -15.851 520 HZ1 LYS 74 1HZ LYS 74 5.491 -1.666 -18.082 521 HZ2 LYS 74 2HZ LYS 74 6.918 -2.379 -17.565 522 HZ3 LYS 74 3HZ LYS 74 6.966 -1.110 -18.677 523 H GLN 75 H GLN 75 3.042 2.255 -13.408 524 HA GLN 75 HA GLN 75 2.627 1.854 -10.598 525 HB2 GLN 75 2HB GLN 75 0.979 2.975 -12.123 526 HB3 GLN 75 1HB GLN 75 0.766 1.442 -12.950 527 HG2 GLN 75 2HG GLN 75 -0.001 0.483 -10.753 528 HG3 GLN 75 1HG GLN 75 -0.000 2.123 -10.121 529 HE21 GLN 75 1HE2 GLN 75 -0.922 1.243 -13.398 530 HE22 GLN 75 2HE2 GLN 75 -2.580 1.677 -13.218 531 H ALA 76 H ALA 76 1.926 -0.034 -9.715 532 HA ALA 76 HA ALA 76 2.724 -2.516 -11.062 533 HB1 ALA 76 1HB ALA 76 2.005 -2.000 -8.180 534 HB2 ALA 76 2HB ALA 76 3.634 -1.998 -8.841 535 HB3 ALA 76 3HB ALA 76 2.698 -3.483 -8.828 536 HA PRO 77 HA PRO 77 -1.286 -4.353 -11.830 537 HB2 PRO 77 2HB PRO 77 -1.247 -6.501 -10.068 538 HB3 PRO 77 1HB PRO 77 -0.673 -6.505 -11.749 539 HG2 PRO 77 2HG PRO 77 0.863 -6.240 -9.242 540 HG3 PRO 77 1HG PRO 77 1.300 -7.042 -10.772 541 HD2 PRO 77 2HD PRO 77 2.366 -4.744 -10.142 542 HD3 PRO 77 1HD PRO 77 1.846 -5.073 -11.810 543 H ASP 78 H ASP 78 -3.273 -4.663 -11.156 544 HA ASP 78 HA ASP 78 -4.441 -2.953 -9.347 545 HB2 ASP 78 2HB ASP 78 -5.644 -3.921 -11.193 546 HB3 ASP 78 1HB ASP 78 -5.446 -5.534 -10.537 547 H TRP 79 H TRP 79 -3.393 -6.244 -8.822 548 HA TRP 79 HA TRP 79 -4.716 -6.507 -6.285 549 HB2 TRP 79 2HB TRP 79 -3.588 -8.717 -6.199 550 HB3 TRP 79 1HB TRP 79 -4.447 -8.446 -7.715 551 HD1 TRP 79 HD TRP 79 -3.077 -8.433 -9.854 552 HE1 TRP 79 1HE TRP 79 -0.652 -9.127 -10.448 553 HE3 TRP 79 3HE TRP 79 -1.128 -8.613 -5.164 554 HZ2 TRP 79 2HZ TRP 79 1.758 -9.632 -9.092 555 HZ3 TRP 79 3HZ TRP 79 1.246 -9.196 -4.885 556 HH2 TRP 79 HH TRP 79 2.655 -9.696 -6.805 557 H LEU 80 H LEU 80 -1.731 -5.114 -7.257 558 HA LEU 80 HA LEU 80 -0.437 -5.860 -4.804 559 HB2 LEU 80 2HB LEU 80 0.764 -5.684 -7.103 560 HB3 LEU 80 1HB LEU 80 0.574 -3.949 -6.900 561 HG LEU 80 HG LEU 80 1.923 -3.935 -4.945 562 HD11 LEU 80 1HD1 LEU 80 1.389 -6.104 -3.987 563 HD12 LEU 80 2HD1 LEU 80 3.143 -5.989 -4.243 564 HD13 LEU 80 3HD1 LEU 80 2.144 -6.904 -5.369 565 HD21 LEU 80 1HD2 LEU 80 4.095 -4.692 -5.873 566 HD22 LEU 80 2HD2 LEU 80 3.147 -3.731 -6.996 567 HD23 LEU 80 3HD2 LEU 80 3.220 -5.486 -7.184 568 H ALA 81 H ALA 81 -0.672 -4.714 -3.048 569 HA ALA 81 HA ALA 81 -1.615 -1.899 -3.215 570 HB1 ALA 81 1HB ALA 81 -3.469 -3.399 -2.533 571 HB2 ALA 81 2HB ALA 81 -2.946 -2.295 -1.249 572 HB3 ALA 81 3HB ALA 81 -2.449 -3.974 -1.204 573 H ALA 82 H ALA 82 -1.281 -0.750 -1.288 574 HA ALA 82 HA ALA 82 0.654 -1.734 0.585 575 HB1 ALA 82 1HB ALA 82 1.268 0.683 -1.127 576 HB2 ALA 82 2HB ALA 82 2.113 -0.861 -1.174 577 HB3 ALA 82 3HB ALA 82 2.204 0.148 0.268 578 H GLU 83 H GLU 83 0.403 -0.777 2.540 579 HA GLU 83 HA GLU 83 -0.986 1.745 2.744 580 HB2 GLU 83 2HB GLU 83 -2.428 0.807 4.594 581 HB3 GLU 83 1HB GLU 83 -2.832 0.165 3.011 582 HG2 GLU 83 2HG GLU 83 -1.651 -1.884 3.557 583 HG3 GLU 83 1HG GLU 83 -1.183 -1.205 5.117 584 HA PRO 84 HA PRO 84 2.393 1.990 5.504 585 HB2 PRO 84 2HB PRO 84 1.988 4.270 6.819 586 HB3 PRO 84 1HB PRO 84 2.040 4.247 5.101 587 HG2 PRO 84 2HG PRO 84 -0.485 4.072 6.670 588 HG3 PRO 84 1HG PRO 84 -0.015 5.298 5.461 589 HD2 PRO 84 2HD PRO 84 -1.431 3.168 4.639 590 HD3 PRO 84 1HD PRO 84 -0.037 3.846 3.734 591 H TYR 85 H TYR 85 3.052 1.288 7.392 592 HA TYR 85 HA TYR 85 1.324 -0.549 8.610 593 HB2 TYR 85 2HB TYR 85 3.215 -1.677 9.030 594 HB3 TYR 85 1HB TYR 85 3.985 -0.417 8.176 595 HD1 TYR 85 1HD TYR 85 5.278 1.338 9.423 596 HD2 TYR 85 2HD TYR 85 3.502 -1.960 11.425 597 HE1 TYR 85 1HE TYR 85 6.724 1.747 11.346 598 HE2 TYR 85 2HE TYR 85 4.943 -1.556 13.371 599 HH TYR 85 HH TYR 85 7.074 -0.512 13.851 Start of MODEL 19 1 H SER 7 1HT SER 7 12.262 -19.020 27.371 2 HA SER 7 HA SER 7 10.945 -16.998 27.443 3 HB2 SER 7 2HB SER 7 13.027 -17.059 25.244 4 HB3 SER 7 1HB SER 7 12.583 -15.674 26.244 5 HG SER 7 HG SER 7 14.275 -16.430 27.302 6 H GLY 8 H GLY 8 9.822 -15.359 26.152 7 HA2 GLY 8 2HA GLY 8 9.049 -16.181 23.490 8 HA3 GLY 8 1HA GLY 8 7.788 -16.110 24.717 9 H ARG 9 H ARG 9 7.280 -14.627 22.753 10 HA ARG 9 HA ARG 9 7.512 -11.937 23.809 11 HB2 ARG 9 2HB ARG 9 8.029 -12.711 20.926 12 HB3 ARG 9 1HB ARG 9 7.549 -11.094 21.402 13 HG2 ARG 9 2HG ARG 9 9.569 -10.907 22.766 14 HG3 ARG 9 1HG ARG 9 10.040 -12.532 22.262 15 HD2 ARG 9 2HD ARG 9 10.194 -11.828 19.965 16 HD3 ARG 9 1HD ARG 9 9.553 -10.242 20.378 17 HE ARG 9 HE ARG 9 11.545 -9.876 21.693 18 HH11 ARG 9 1HH1 ARG 9 11.770 -12.565 19.430 19 HH12 ARG 9 2HH1 ARG 9 13.402 -12.291 19.024 20 HH21 ARG 9 1HH2 ARG 9 13.767 -9.513 21.212 21 HH22 ARG 9 2HH2 ARG 9 14.601 -10.505 20.118 22 H GLU 10 H GLU 10 5.530 -11.138 23.958 23 HA GLU 10 HA GLU 10 3.348 -12.674 22.913 24 HB2 GLU 10 2HB GLU 10 3.356 -10.010 24.368 25 HB3 GLU 10 1HB GLU 10 1.910 -10.858 23.881 26 HG2 GLU 10 2HG GLU 10 2.267 -11.202 26.220 27 HG3 GLU 10 1HG GLU 10 2.521 -12.715 25.362 28 H ASN 11 H ASN 11 2.782 -12.501 20.852 29 HA ASN 11 HA ASN 11 3.441 -10.079 19.401 30 HB2 ASN 11 2HB ASN 11 3.503 -12.384 18.293 31 HB3 ASN 11 1HB ASN 11 1.747 -12.410 18.441 32 HD21 ASN 11 1HD2 ASN 11 0.506 -11.057 17.112 33 HD22 ASN 11 2HD2 ASN 11 1.183 -10.260 15.739 34 H LEU 12 H LEU 12 2.306 -8.505 20.268 35 HA LEU 12 HA LEU 12 -0.230 -8.789 21.386 36 HB2 LEU 12 2HB LEU 12 1.230 -6.322 20.527 37 HB3 LEU 12 1HB LEU 12 -0.308 -6.298 21.365 38 HG LEU 12 HG LEU 12 2.201 -7.533 22.419 39 HD11 LEU 12 1HD1 LEU 12 2.409 -5.093 22.264 40 HD12 LEU 12 2HD1 LEU 12 2.267 -5.585 23.952 41 HD13 LEU 12 3HD1 LEU 12 0.876 -4.899 23.114 42 HD21 LEU 12 1HD2 LEU 12 -0.456 -7.001 23.741 43 HD22 LEU 12 2HD2 LEU 12 0.991 -7.554 24.572 44 HD23 LEU 12 3HD2 LEU 12 0.233 -8.582 23.359 45 H TYR 13 H TYR 13 -2.019 -7.532 20.896 46 HA TYR 13 HA TYR 13 -2.833 -8.089 18.191 47 HB2 TYR 13 2HB TYR 13 -5.111 -7.489 18.881 48 HB3 TYR 13 1HB TYR 13 -4.402 -8.684 19.943 49 HD1 TYR 13 1HD TYR 13 -3.446 -7.781 22.201 50 HD2 TYR 13 2HD TYR 13 -6.147 -5.613 19.735 51 HE1 TYR 13 1HE TYR 13 -4.131 -6.437 24.142 52 HE2 TYR 13 2HE TYR 13 -6.832 -4.257 21.665 53 HH TYR 13 HH TYR 13 -5.143 -4.166 24.542 54 H PHE 14 H PHE 14 -2.446 -6.777 16.680 55 HA PHE 14 HA PHE 14 -2.193 -3.953 17.308 56 HB2 PHE 14 2HB PHE 14 -1.337 -5.499 14.844 57 HB3 PHE 14 1HB PHE 14 -1.132 -3.760 15.055 58 HD1 PHE 14 1HD PHE 14 0.287 -2.938 16.963 59 HD2 PHE 14 2HD PHE 14 0.240 -7.006 15.725 60 HE1 PHE 14 1HE PHE 14 2.407 -3.322 18.146 61 HE2 PHE 14 2HE PHE 14 2.366 -7.395 16.903 62 HZ PHE 14 HZ PHE 14 3.446 -5.543 18.120 63 H GLN 15 H GLN 15 -3.947 -2.922 17.181 64 HA GLN 15 HA GLN 15 -6.256 -3.855 15.894 65 HB2 GLN 15 2HB GLN 15 -6.225 -2.471 17.948 66 HB3 GLN 15 1HB GLN 15 -5.568 -1.137 17.021 67 HG2 GLN 15 2HG GLN 15 -7.630 -1.077 15.687 68 HG3 GLN 15 1HG GLN 15 -8.285 -2.379 16.681 69 HE21 GLN 15 1HE2 GLN 15 -9.975 -1.111 17.413 70 HE22 GLN 15 2HE2 GLN 15 -9.735 0.153 18.560 71 H GLY 16 H GLY 16 -7.249 -3.012 14.152 72 HA2 GLY 16 2HA GLY 16 -5.517 -1.865 12.121 73 HA3 GLY 16 1HA GLY 16 -7.215 -2.313 11.902 74 H HIS 17 H HIS 17 -5.033 0.080 13.050 75 HA HIS 17 HA HIS 17 -7.143 1.942 13.737 76 HB2 HIS 17 2HB HIS 17 -5.038 1.729 15.099 77 HB3 HIS 17 1HB HIS 17 -4.120 2.267 13.704 78 HD1 HIS 17 1HD HIS 17 -3.926 4.813 13.375 79 HD2 HIS 17 2HD HIS 17 -6.679 3.697 16.287 80 HE1 HIS 17 1HE HIS 17 -4.622 6.935 14.537 81 H MET 18 H MET 18 -7.224 4.007 12.587 82 HA MET 18 HA MET 18 -7.254 3.848 9.839 83 HB2 MET 18 2HB MET 18 -7.399 6.288 9.768 84 HB3 MET 18 1HB MET 18 -8.428 5.630 11.025 85 HG2 MET 18 2HG MET 18 -6.789 6.274 12.715 86 HG3 MET 18 1HG MET 18 -5.724 6.888 11.457 87 HE1 MET 18 1HE MET 18 -7.824 8.303 9.483 88 HE2 MET 18 2HE MET 18 -6.278 8.997 9.955 89 HE3 MET 18 3HE MET 18 -7.753 9.956 10.095 90 H ALA 19 H ALA 19 -5.833 4.086 8.249 91 HA ALA 19 HA ALA 19 -3.084 3.842 8.756 92 HB1 ALA 19 1HB ALA 19 -4.161 2.974 6.737 93 HB2 ALA 19 2HB ALA 19 -2.796 4.022 6.349 94 HB3 ALA 19 3HB ALA 19 -4.445 4.625 6.185 95 H ALA 20 H ALA 20 -1.964 5.377 9.661 96 HA ALA 20 HA ALA 20 -2.302 8.153 8.781 97 HB1 ALA 20 1HB ALA 20 -1.264 8.734 10.953 98 HB2 ALA 20 2HB ALA 20 -1.171 7.018 11.351 99 HB3 ALA 20 3HB ALA 20 -2.744 7.798 11.168 100 HA PRO 21 HA PRO 21 1.813 8.133 6.965 101 HB2 PRO 21 2HB PRO 21 2.305 10.477 8.766 102 HB3 PRO 21 1HB PRO 21 2.608 10.340 7.024 103 HG2 PRO 21 2HG PRO 21 0.558 11.711 7.810 104 HG3 PRO 21 1HG PRO 21 0.380 10.554 6.466 105 HD2 PRO 21 2HD PRO 21 -0.517 10.266 9.301 106 HD3 PRO 21 1HD PRO 21 -1.324 9.781 7.797 107 H ALA 22 H ALA 22 2.972 6.452 7.767 108 HA ALA 22 HA ALA 22 4.043 6.731 10.489 109 HB1 ALA 22 1HB ALA 22 2.167 5.166 10.431 110 HB2 ALA 22 2HB ALA 22 3.673 4.385 10.915 111 HB3 ALA 22 3HB ALA 22 3.053 4.167 9.279 112 H ARG 23 H ARG 23 5.294 7.175 7.923 113 HA ARG 23 HA ARG 23 7.340 7.036 6.992 114 HB2 ARG 23 2HB ARG 23 7.779 7.649 9.363 115 HB3 ARG 23 1HB ARG 23 8.143 5.967 9.685 116 HG2 ARG 23 2HG ARG 23 10.048 6.057 8.227 117 HG3 ARG 23 1HG ARG 23 9.615 7.707 7.740 118 HD2 ARG 23 2HD ARG 23 10.310 6.848 10.551 119 HD3 ARG 23 1HD ARG 23 11.387 7.721 9.454 120 HE ARG 23 HE ARG 23 9.253 9.298 9.467 121 HH11 ARG 23 1HH1 ARG 23 11.128 7.977 12.149 122 HH12 ARG 23 2HH1 ARG 23 10.626 9.162 13.259 123 HH21 ARG 23 1HH2 ARG 23 8.578 10.921 10.979 124 HH22 ARG 23 2HH2 ARG 23 9.142 10.872 12.580 125 H SER 24 H SER 24 5.652 4.422 6.980 126 HA SER 24 HA SER 24 7.629 2.938 5.512 127 HB2 SER 24 2HB SER 24 6.284 1.868 7.979 128 HB3 SER 24 1HB SER 24 6.977 0.791 6.768 129 HG SER 24 HG SER 24 8.540 2.884 7.793 130 H CYS 25 H CYS 25 6.661 1.718 3.831 131 HA CYS 25 HA CYS 25 3.747 1.854 3.687 132 HB2 CYS 25 2HB CYS 25 5.872 1.584 1.537 133 HB3 CYS 25 1HB CYS 25 4.132 1.452 1.248 134 H VAL 26 H VAL 26 2.715 -0.050 3.644 135 HA VAL 26 HA VAL 26 4.391 -2.444 3.842 136 HB VAL 26 HB VAL 26 1.545 -2.150 4.858 137 HG11 VAL 26 1HG1 VAL 26 2.511 -4.391 4.766 138 HG12 VAL 26 2HG1 VAL 26 2.211 -3.794 6.422 139 HG13 VAL 26 3HG1 VAL 26 3.849 -3.798 5.777 140 HG21 VAL 26 1HG2 VAL 26 2.413 -1.526 6.963 141 HG22 VAL 26 2HG2 VAL 26 2.755 -0.341 5.698 142 HG23 VAL 26 3HG2 VAL 26 4.043 -1.412 6.267 143 H TYR 27 H TYR 27 4.139 -3.866 2.306 144 HA TYR 27 HA TYR 27 2.129 -3.280 0.292 145 HB2 TYR 27 2HB TYR 27 4.737 -4.793 0.078 146 HB3 TYR 27 1HB TYR 27 3.578 -4.645 -1.245 147 HD1 TYR 27 1HD TYR 27 5.624 -2.617 1.099 148 HD2 TYR 27 2HD TYR 27 3.615 -2.736 -2.642 149 HE1 TYR 27 1HE TYR 27 6.544 -0.431 0.558 150 HE2 TYR 27 2HE TYR 27 4.559 -0.512 -3.192 151 HH TYR 27 HH TYR 27 5.429 1.468 -2.022 152 H TYR 28 H TYR 28 0.644 -4.608 -0.327 153 HA TYR 28 HA TYR 28 0.402 -7.189 1.039 154 HB2 TYR 28 2HB TYR 28 -1.733 -5.121 0.498 155 HB3 TYR 28 1HB TYR 28 -1.989 -6.761 1.086 156 HD1 TYR 28 1HD TYR 28 -1.765 -7.278 3.379 157 HD2 TYR 28 2HD TYR 28 -0.591 -3.418 2.004 158 HE1 TYR 28 1HE TYR 28 -1.579 -6.527 5.678 159 HE2 TYR 28 2HE TYR 28 -0.406 -2.672 4.289 160 HH TYR 28 HH TYR 28 -1.310 -3.212 6.435 161 H ASP 29 H ASP 29 -0.380 -8.774 -0.212 162 HA ASP 29 HA ASP 29 -0.977 -8.240 -3.056 163 HB2 ASP 29 2HB ASP 29 0.604 -10.044 -2.485 164 HB3 ASP 29 1HB ASP 29 -0.612 -10.758 -1.442 165 H GLY 30 H GLY 30 -3.053 -7.489 -3.058 166 HA2 GLY 30 2HA GLY 30 -5.115 -9.362 -2.702 167 HA3 GLY 30 1HA GLY 30 -5.195 -8.243 -1.375 168 H HIS 31 H HIS 31 -6.882 -8.842 -3.666 169 HA HIS 31 HA HIS 31 -6.985 -6.289 -5.065 170 HB2 HIS 31 2HB HIS 31 -8.840 -8.680 -5.121 171 HB3 HIS 31 1HB HIS 31 -9.134 -7.191 -6.019 172 HD1 HIS 31 1HD HIS 31 -7.300 -6.713 -8.030 173 HD2 HIS 31 2HD HIS 31 -7.276 -10.514 -6.310 174 HE1 HIS 31 1HE HIS 31 -6.177 -8.232 -9.680 175 H LEU 32 H LEU 32 -8.101 -7.760 -2.257 176 HA LEU 32 HA LEU 32 -10.102 -5.648 -1.746 177 HB2 LEU 32 2HB LEU 32 -10.017 -8.413 -0.553 178 HB3 LEU 32 1HB LEU 32 -11.294 -7.233 -0.402 179 HG LEU 32 HG LEU 32 -10.519 -8.724 -2.834 180 HD11 LEU 32 1HD1 LEU 32 -12.894 -9.058 -1.007 181 HD12 LEU 32 2HD1 LEU 32 -11.532 -10.163 -1.185 182 HD13 LEU 32 3HD1 LEU 32 -12.656 -9.934 -2.520 183 HD21 LEU 32 1HD2 LEU 32 -12.848 -6.848 -2.380 184 HD22 LEU 32 2HD2 LEU 32 -12.635 -7.839 -3.820 185 HD23 LEU 32 3HD2 LEU 32 -11.470 -6.567 -3.444 186 HA PRO 33 HA PRO 33 -7.584 -5.146 1.970 187 HB2 PRO 33 2HB PRO 33 -9.461 -4.308 3.750 188 HB3 PRO 33 1HB PRO 33 -8.872 -3.254 2.444 189 HG2 PRO 33 2HG PRO 33 -11.374 -4.860 2.547 190 HG3 PRO 33 1HG PRO 33 -11.134 -3.192 1.996 191 HD2 PRO 33 2HD PRO 33 -11.316 -5.229 0.262 192 HD3 PRO 33 1HD PRO 33 -10.267 -3.819 -0.029 193 H ALA 34 H ALA 34 -9.970 -7.419 1.480 194 HA ALA 34 HA ALA 34 -9.826 -8.618 4.144 195 HB1 ALA 34 1HB ALA 34 -11.997 -8.534 3.025 196 HB2 ALA 34 2HB ALA 34 -11.486 -10.200 3.298 197 HB3 ALA 34 3HB ALA 34 -11.353 -9.491 1.689 198 H THR 35 H THR 35 -9.133 -9.544 0.746 199 HA THR 35 HA THR 35 -7.831 -11.955 1.589 200 HB THR 35 HB THR 35 -7.688 -12.206 -0.943 201 HG1 THR 35 1HG THR 35 -8.518 -10.670 -2.148 202 HG21 THR 35 1HG2 THR 35 -10.107 -12.695 -1.132 203 HG22 THR 35 2HG2 THR 35 -10.386 -11.814 0.370 204 HG23 THR 35 3HG2 THR 35 -9.428 -13.294 0.379 205 H ARG 36 H ARG 36 -6.688 -9.235 2.084 206 HA ARG 36 HA ARG 36 -4.424 -9.017 0.313 207 HB2 ARG 36 2HB ARG 36 -3.808 -7.104 1.687 208 HB3 ARG 36 1HB ARG 36 -5.508 -7.004 1.261 209 HG2 ARG 36 2HG ARG 36 -6.105 -7.840 3.477 210 HG3 ARG 36 1HG ARG 36 -4.395 -7.938 3.892 211 HD2 ARG 36 2HD ARG 36 -4.217 -5.492 3.448 212 HD3 ARG 36 1HD ARG 36 -5.969 -5.456 3.247 213 HE ARG 36 HE ARG 36 -5.688 -6.660 5.594 214 HH11 ARG 36 1HH1 ARG 36 -4.741 -3.554 4.297 215 HH12 ARG 36 2HH1 ARG 36 -4.280 -2.830 5.747 216 HH21 ARG 36 1HH2 ARG 36 -5.137 -5.705 7.713 217 HH22 ARG 36 2HH2 ARG 36 -4.541 -4.106 7.781 218 H VAL 37 H VAL 37 -2.337 -9.492 0.813 219 HA VAL 37 HA VAL 37 -1.861 -11.146 3.210 220 HB VAL 37 HB VAL 37 -0.638 -11.430 0.440 221 HG11 VAL 37 1HG1 VAL 37 0.924 -12.076 2.159 222 HG12 VAL 37 2HG1 VAL 37 0.364 -13.495 1.272 223 HG13 VAL 37 3HG1 VAL 37 -0.277 -13.149 2.881 224 HG21 VAL 37 1HG2 VAL 37 -2.940 -12.200 0.395 225 HG22 VAL 37 2HG2 VAL 37 -2.651 -13.217 1.803 226 HG23 VAL 37 3HG2 VAL 37 -1.839 -13.571 0.280 227 H LEU 38 H LEU 38 -0.407 -10.083 4.483 228 HA LEU 38 HA LEU 38 1.004 -7.847 3.456 229 HB2 LEU 38 2HB LEU 38 0.309 -7.970 5.830 230 HB3 LEU 38 1HB LEU 38 1.454 -9.269 6.088 231 HG LEU 38 HG LEU 38 2.400 -6.562 5.153 232 HD11 LEU 38 1HD1 LEU 38 1.950 -7.461 7.979 233 HD12 LEU 38 2HD1 LEU 38 1.084 -6.158 7.111 234 HD13 LEU 38 3HD1 LEU 38 2.813 -6.004 7.460 235 HD21 LEU 38 1HD2 LEU 38 4.025 -8.400 5.115 236 HD22 LEU 38 2HD2 LEU 38 3.709 -8.705 6.825 237 HD23 LEU 38 3HD2 LEU 38 4.445 -7.184 6.322 238 H LEU 39 H LEU 39 2.660 -7.824 2.317 239 HA LEU 39 HA LEU 39 4.297 -10.184 1.982 240 HB2 LEU 39 2HB LEU 39 4.335 -7.524 0.563 241 HB3 LEU 39 1HB LEU 39 5.220 -8.958 0.083 242 HG LEU 39 HG LEU 39 2.215 -8.678 0.107 243 HD11 LEU 39 1HD1 LEU 39 3.243 -7.378 -1.674 244 HD12 LEU 39 2HD1 LEU 39 2.399 -8.783 -2.320 245 HD13 LEU 39 3HD1 LEU 39 4.158 -8.796 -2.191 246 HD21 LEU 39 1HD2 LEU 39 2.896 -10.923 0.609 247 HD22 LEU 39 2HD2 LEU 39 3.998 -10.925 -0.771 248 HD23 LEU 39 3HD2 LEU 39 2.244 -10.842 -1.034 249 H MET 40 H MET 40 4.755 -6.712 2.723 250 HA MET 40 HA MET 40 7.242 -7.182 4.082 251 HB2 MET 40 2HB MET 40 7.721 -7.550 1.656 252 HB3 MET 40 1HB MET 40 7.249 -5.867 1.370 253 HG2 MET 40 2HG MET 40 9.003 -5.134 2.876 254 HG3 MET 40 1HG MET 40 9.335 -6.857 3.150 255 HE1 MET 40 1HE MET 40 9.094 -8.046 0.218 256 HE2 MET 40 2HE MET 40 10.470 -8.450 1.249 257 HE3 MET 40 3HE MET 40 10.729 -7.895 -0.404 258 H TYR 41 H TYR 41 8.104 -5.300 4.926 259 HA TYR 41 HA TYR 41 6.457 -2.855 4.891 260 HB2 TYR 41 2HB TYR 41 8.615 -3.837 6.773 261 HB3 TYR 41 1HB TYR 41 7.854 -2.268 6.878 262 HD1 TYR 41 1HD TYR 41 5.884 -1.986 8.100 263 HD2 TYR 41 2HD TYR 41 7.235 -5.912 7.183 264 HE1 TYR 41 1HE TYR 41 4.257 -2.912 9.688 265 HE2 TYR 41 2HE TYR 41 5.603 -6.849 8.766 266 HH TYR 41 HH TYR 41 3.172 -4.859 10.246 267 H VAL 42 H VAL 42 7.323 -1.310 3.568 268 HA VAL 42 HA VAL 42 10.240 -1.322 3.243 269 HB VAL 42 HB VAL 42 8.263 -0.049 1.363 270 HG11 VAL 42 1HG1 VAL 42 11.201 -0.657 1.069 271 HG12 VAL 42 2HG1 VAL 42 10.483 0.935 1.309 272 HG13 VAL 42 3HG1 VAL 42 10.168 0.043 -0.177 273 HG21 VAL 42 1HG2 VAL 42 8.697 -1.924 -0.141 274 HG22 VAL 42 2HG2 VAL 42 7.926 -2.427 1.369 275 HG23 VAL 42 3HG2 VAL 42 9.660 -2.704 1.130 276 H ARG 43 H ARG 43 11.072 0.228 4.472 277 HA ARG 43 HA ARG 43 9.724 2.283 5.780 278 HB2 ARG 43 2HB ARG 43 11.970 1.362 6.358 279 HB3 ARG 43 1HB ARG 43 12.614 2.166 4.937 280 HG2 ARG 43 2HG ARG 43 11.585 4.304 6.092 281 HG3 ARG 43 1HG ARG 43 11.778 3.315 7.551 282 HD2 ARG 43 2HD ARG 43 14.125 2.875 6.859 283 HD3 ARG 43 1HD ARG 43 13.838 3.982 5.514 284 HE ARG 43 HE ARG 43 13.837 4.748 8.348 285 HH11 ARG 43 1HH1 ARG 43 14.171 5.711 4.967 286 HH12 ARG 43 2HH1 ARG 43 15.199 7.032 5.287 287 HH21 ARG 43 1HH2 ARG 43 15.236 6.639 8.788 288 HH22 ARG 43 2HH2 ARG 43 15.795 7.565 7.487 289 H ILE 44 H ILE 44 9.394 4.319 5.236 290 HA ILE 44 HA ILE 44 9.433 5.201 2.511 291 HB ILE 44 HB ILE 44 9.523 7.107 4.857 292 HG12 ILE 44 2HG1 ILE 44 7.775 5.539 5.099 293 HG13 ILE 44 1HG1 ILE 44 7.102 7.160 4.847 294 HG21 ILE 44 1HG2 ILE 44 8.402 8.685 3.325 295 HG22 ILE 44 2HG2 ILE 44 8.484 7.476 2.044 296 HG23 ILE 44 3HG2 ILE 44 9.969 8.154 2.704 297 HD11 ILE 44 1HD1 ILE 44 5.785 5.458 3.797 298 HD12 ILE 44 2HD1 ILE 44 7.176 4.798 2.962 299 HD13 ILE 44 3HD1 ILE 44 6.548 6.407 2.534 300 H GLY 45 H GLY 45 11.004 5.751 1.397 301 HA2 GLY 45 2HA GLY 45 13.024 6.927 0.865 302 HA3 GLY 45 1HA GLY 45 13.396 6.973 2.595 303 H ASN 46 H ASN 46 12.227 4.138 1.006 304 HA ASN 46 HA ASN 46 14.880 3.054 0.532 305 HB2 ASN 46 2HB ASN 46 14.367 2.441 2.797 306 HB3 ASN 46 1HB ASN 46 12.831 1.750 2.222 307 HD21 ASN 46 1HD2 ASN 46 13.386 -0.395 2.963 308 HD22 ASN 46 2HD2 ASN 46 14.631 -1.314 2.221 309 H THR 47 H THR 47 14.751 1.168 -0.666 310 HA THR 47 HA THR 47 12.333 0.870 -2.332 311 HB THR 47 HB THR 47 13.966 0.038 -4.010 312 HG1 THR 47 1HG THR 47 16.075 0.369 -3.673 313 HG21 THR 47 1HG2 THR 47 12.846 2.136 -4.405 314 HG22 THR 47 2HG2 THR 47 14.531 2.344 -4.865 315 HG23 THR 47 3HG2 THR 47 13.951 2.986 -3.326 316 H ALA 48 H ALA 48 12.001 -1.210 -3.050 317 HA ALA 48 HA ALA 48 13.577 -3.372 -1.851 318 HB1 ALA 48 1HB ALA 48 11.753 -4.420 -0.653 319 HB2 ALA 48 2HB ALA 48 10.667 -3.117 -1.130 320 HB3 ALA 48 3HB ALA 48 12.024 -2.783 -0.054 321 H THR 49 H THR 49 13.435 -5.319 -2.833 322 HA THR 49 HA THR 49 12.001 -5.449 -5.362 323 HB THR 49 HB THR 49 13.696 -7.630 -4.142 324 HG1 THR 49 1HG THR 49 14.719 -5.295 -5.515 325 HG21 THR 49 1HG2 THR 49 12.524 -8.095 -6.242 326 HG22 THR 49 2HG2 THR 49 14.272 -8.056 -6.500 327 HG23 THR 49 3HG2 THR 49 13.280 -6.683 -6.983 328 H ILE 50 H ILE 50 9.882 -6.014 -5.065 329 HA ILE 50 HA ILE 50 9.121 -7.847 -2.882 330 HB ILE 50 HB ILE 50 7.264 -6.605 -4.903 331 HG12 ILE 50 2HG1 ILE 50 8.577 -4.764 -3.987 332 HG13 ILE 50 1HG1 ILE 50 6.895 -4.704 -3.443 333 HG21 ILE 50 1HG2 ILE 50 6.341 -8.334 -3.478 334 HG22 ILE 50 2HG2 ILE 50 5.629 -6.768 -3.066 335 HG23 ILE 50 3HG2 ILE 50 6.878 -7.467 -2.040 336 HD11 ILE 50 1HD1 ILE 50 9.273 -5.681 -1.914 337 HD12 ILE 50 2HD1 ILE 50 7.606 -5.665 -1.320 338 HD13 ILE 50 3HD1 ILE 50 8.449 -4.129 -1.674 339 H THR 51 H THR 51 9.308 -9.982 -3.508 340 HA THR 51 HA THR 51 8.535 -10.583 -6.259 341 HB THR 51 HB THR 51 9.317 -12.558 -4.109 342 HG1 THR 51 1HG THR 51 10.799 -10.619 -5.293 343 HG21 THR 51 1HG2 THR 51 8.346 -13.445 -6.207 344 HG22 THR 51 2HG2 THR 51 10.037 -13.907 -6.013 345 HG23 THR 51 3HG2 THR 51 9.597 -12.607 -7.120 346 H ALA 52 H ALA 52 6.475 -11.067 -6.689 347 HA ALA 52 HA ALA 52 4.820 -12.445 -4.750 348 HB1 ALA 52 1HB ALA 52 4.058 -9.762 -5.923 349 HB2 ALA 52 2HB ALA 52 4.429 -10.084 -4.230 350 HB3 ALA 52 3HB ALA 52 3.000 -10.804 -4.974 351 H ARG 53 H ARG 53 3.851 -14.004 -5.803 352 HA ARG 53 HA ARG 53 2.871 -15.270 -7.345 353 HB2 ARG 53 2HB ARG 53 2.203 -12.644 -8.682 354 HB3 ARG 53 1HB ARG 53 1.459 -14.204 -9.066 355 HG2 ARG 53 2HG ARG 53 0.594 -14.312 -6.765 356 HG3 ARG 53 1HG ARG 53 1.293 -12.713 -6.456 357 HD2 ARG 53 2HD ARG 53 -0.102 -11.838 -8.333 358 HD3 ARG 53 1HD ARG 53 -0.865 -13.426 -8.429 359 HE ARG 53 HE ARG 53 -0.908 -12.127 -5.843 360 HH11 ARG 53 1HH1 ARG 53 -2.693 -12.617 -8.885 361 HH12 ARG 53 2HH1 ARG 53 -4.220 -12.369 -8.189 362 HH21 ARG 53 1HH2 ARG 53 -2.954 -11.761 -4.931 363 HH22 ARG 53 2HH2 ARG 53 -4.402 -11.887 -5.849 364 H GLY 54 H GLY 54 5.601 -14.546 -7.544 365 HA2 GLY 54 2HA GLY 54 7.293 -15.450 -8.883 366 HA3 GLY 54 1HA GLY 54 6.115 -15.634 -10.187 367 H HIS 55 H HIS 55 5.911 -12.526 -8.984 368 HA HIS 55 HA HIS 55 7.744 -11.553 -11.078 369 HB2 HIS 55 2HB HIS 55 5.202 -10.285 -10.032 370 HB3 HIS 55 1HB HIS 55 6.309 -9.537 -11.189 371 HD1 HIS 55 1HD HIS 55 5.444 -9.730 -13.549 372 HD2 HIS 55 2HD HIS 55 4.201 -12.875 -11.133 373 HE1 HIS 55 1HE HIS 55 3.896 -11.122 -14.948 374 H GLU 56 H GLU 56 9.347 -10.194 -10.423 375 HA GLU 56 HA GLU 56 9.300 -9.284 -7.678 376 HB2 GLU 56 2HB GLU 56 11.439 -9.064 -9.806 377 HB3 GLU 56 1HB GLU 56 11.582 -8.430 -8.182 378 HG2 GLU 56 2HG GLU 56 12.795 -10.446 -8.194 379 HG3 GLU 56 1HG GLU 56 11.261 -10.783 -7.387 380 H PHE 57 H PHE 57 8.642 -7.236 -7.203 381 HA PHE 57 HA PHE 57 8.594 -5.273 -9.384 382 HB2 PHE 57 2HB PHE 57 6.938 -5.414 -6.846 383 HB3 PHE 57 1HB PHE 57 6.775 -4.254 -8.162 384 HD1 PHE 57 1HD PHE 57 5.758 -4.982 -10.299 385 HD2 PHE 57 2HD PHE 57 5.918 -7.522 -6.891 386 HE1 PHE 57 1HE PHE 57 3.992 -6.402 -11.270 387 HE2 PHE 57 2HE PHE 57 4.169 -8.937 -7.852 388 HZ PHE 57 HZ PHE 57 3.198 -8.382 -10.030 389 H GLU 58 H GLU 58 10.441 -4.094 -8.981 390 HA GLU 58 HA GLU 58 11.061 -3.727 -6.177 391 HB2 GLU 58 2HB GLU 58 12.964 -4.147 -7.788 392 HB3 GLU 58 1HB GLU 58 12.630 -2.546 -8.469 393 HG2 GLU 58 2HG GLU 58 13.271 -1.438 -6.552 394 HG3 GLU 58 1HG GLU 58 13.137 -2.917 -5.607 395 H VAL 59 H VAL 59 10.194 -2.284 -5.060 396 HA VAL 59 HA VAL 59 8.713 -0.092 -6.372 397 HB VAL 59 HB VAL 59 7.373 0.053 -4.444 398 HG11 VAL 59 1HG1 VAL 59 6.491 -2.198 -4.032 399 HG12 VAL 59 2HG1 VAL 59 7.862 -2.868 -4.924 400 HG13 VAL 59 3HG1 VAL 59 6.697 -1.827 -5.738 401 HG21 VAL 59 1HG2 VAL 59 7.773 -1.152 -2.387 402 HG22 VAL 59 2HG2 VAL 59 9.053 0.003 -2.806 403 HG23 VAL 59 3HG2 VAL 59 9.321 -1.736 -3.056 404 H GLU 60 H GLU 60 8.659 1.924 -5.380 405 HA GLU 60 HA GLU 60 11.044 2.593 -3.816 406 HB2 GLU 60 2HB GLU 60 11.047 3.538 -6.118 407 HB3 GLU 60 1HB GLU 60 9.508 4.332 -5.765 408 HG2 GLU 60 2HG GLU 60 10.618 5.724 -4.145 409 HG3 GLU 60 1HG GLU 60 12.129 4.836 -4.373 410 H ALA 61 H ALA 61 10.303 2.751 -1.801 411 HA ALA 61 HA ALA 61 7.635 3.781 -1.339 412 HB1 ALA 61 1HB ALA 61 8.548 2.145 0.262 413 HB2 ALA 61 2HB ALA 61 8.177 3.669 1.069 414 HB3 ALA 61 3HB ALA 61 9.846 3.267 0.669 415 H LYS 62 H LYS 62 7.685 5.570 -2.333 416 HA LYS 62 HA LYS 62 9.623 7.617 -2.079 417 HB2 LYS 62 2HB LYS 62 7.992 8.948 -3.463 418 HB3 LYS 62 1HB LYS 62 8.591 7.449 -4.159 419 HG2 LYS 62 2HG LYS 62 6.551 6.322 -3.545 420 HG3 LYS 62 1HG LYS 62 5.926 7.805 -2.804 421 HD2 LYS 62 2HD LYS 62 6.599 7.433 -5.737 422 HD3 LYS 62 1HD LYS 62 4.980 7.406 -5.032 423 HE2 LYS 62 2HE LYS 62 5.294 9.710 -4.250 424 HE3 LYS 62 1HE LYS 62 6.884 9.742 -5.006 425 HZ1 LYS 62 1HZ LYS 62 5.790 9.419 -7.158 426 HZ2 LYS 62 2HZ LYS 62 5.292 10.809 -6.387 427 HZ3 LYS 62 3HZ LYS 62 4.275 9.461 -6.394 428 H ASP 63 H ASP 63 6.291 7.369 -0.845 429 HA ASP 63 HA ASP 63 6.913 9.229 1.237 430 HB2 ASP 63 2HB ASP 63 5.001 10.705 0.815 431 HB3 ASP 63 1HB ASP 63 6.160 10.798 -0.496 432 H GLN 64 H GLN 64 4.851 9.491 2.574 433 HA GLN 64 HA GLN 64 4.110 6.755 3.065 434 HB2 GLN 64 2HB GLN 64 3.444 7.659 5.341 435 HB3 GLN 64 1HB GLN 64 5.145 7.588 4.928 436 HG2 GLN 64 2HG GLN 64 4.901 10.027 4.246 437 HG3 GLN 64 1HG GLN 64 3.363 9.986 5.102 438 HE21 GLN 64 1HE2 GLN 64 5.826 11.444 5.656 439 HE22 GLN 64 2HE2 GLN 64 6.292 11.018 7.263 440 H ASN 65 H ASN 65 2.641 8.671 1.166 441 HA ASN 65 HA ASN 65 -0.020 8.144 2.225 442 HB2 ASN 65 2HB ASN 65 0.327 10.120 0.749 443 HB3 ASN 65 1HB ASN 65 0.795 9.032 -0.567 444 HD21 ASN 65 1HD2 ASN 65 -1.818 10.179 1.419 445 HD22 ASN 65 2HD2 ASN 65 -3.097 9.607 0.422 446 H CYS 66 H CYS 66 2.405 6.853 0.248 447 HA CYS 66 HA CYS 66 3.006 4.876 -0.317 448 HB2 CYS 66 2HB CYS 66 0.861 3.935 1.524 449 HB3 CYS 66 1HB CYS 66 2.055 2.891 0.729 450 H LYS 67 H LYS 67 1.641 5.875 -2.514 451 HA LYS 67 HA LYS 67 0.180 3.692 -3.490 452 HB2 LYS 67 2HB LYS 67 1.344 6.111 -4.559 453 HB3 LYS 67 1HB LYS 67 1.128 4.801 -5.767 454 HG2 LYS 67 2HG LYS 67 -0.666 6.328 -5.770 455 HG3 LYS 67 1HG LYS 67 -1.236 4.840 -5.024 456 HD2 LYS 67 2HD LYS 67 -0.911 5.715 -2.840 457 HD3 LYS 67 1HD LYS 67 -0.203 7.196 -3.476 458 HE2 LYS 67 2HE LYS 67 -2.491 7.697 -2.976 459 HE3 LYS 67 1HE LYS 67 -2.039 7.580 -4.705 460 HZ1 LYS 67 1HZ LYS 67 -3.427 5.390 -3.231 461 HZ2 LYS 67 2HZ LYS 67 -3.207 5.478 -4.888 462 HZ3 LYS 67 3HZ LYS 67 -4.287 6.510 -4.126 463 H VAL 68 H VAL 68 0.819 2.218 -4.924 464 HA VAL 68 HA VAL 68 3.572 1.377 -4.562 465 HB VAL 68 HB VAL 68 1.995 -0.413 -4.180 466 HG11 VAL 68 1HG1 VAL 68 0.143 0.348 -5.550 467 HG12 VAL 68 2HG1 VAL 68 0.560 -1.319 -5.951 468 HG13 VAL 68 3HG1 VAL 68 1.065 -0.001 -7.013 469 HG21 VAL 68 1HG2 VAL 68 4.173 -1.021 -5.155 470 HG22 VAL 68 2HG2 VAL 68 3.491 -0.859 -6.766 471 HG23 VAL 68 3HG2 VAL 68 2.903 -2.119 -5.689 472 H ILE 69 H ILE 69 4.884 2.394 -5.752 473 HA ILE 69 HA ILE 69 4.397 2.446 -8.625 474 HB ILE 69 HB ILE 69 5.624 4.711 -6.981 475 HG12 ILE 69 2HG1 ILE 69 3.132 4.680 -8.683 476 HG13 ILE 69 1HG1 ILE 69 3.140 4.421 -6.945 477 HG21 ILE 69 1HG2 ILE 69 5.824 5.895 -9.116 478 HG22 ILE 69 2HG2 ILE 69 5.136 4.514 -9.968 479 HG23 ILE 69 3HG2 ILE 69 6.712 4.372 -9.198 480 HD11 ILE 69 1HD1 ILE 69 4.023 6.686 -6.640 481 HD12 ILE 69 2HD1 ILE 69 2.507 6.710 -7.534 482 HD13 ILE 69 3HD1 ILE 69 4.039 6.921 -8.388 483 H LEU 70 H LEU 70 6.050 1.649 -9.711 484 HA LEU 70 HA LEU 70 8.046 0.546 -7.973 485 HB2 LEU 70 2HB LEU 70 7.642 -0.021 -10.871 486 HB3 LEU 70 1HB LEU 70 8.790 -0.815 -9.822 487 HG LEU 70 HG LEU 70 7.066 -2.390 -9.903 488 HD11 LEU 70 1HD1 LEU 70 6.388 -0.749 -7.565 489 HD12 LEU 70 2HD1 LEU 70 7.580 -2.048 -7.669 490 HD13 LEU 70 3HD1 LEU 70 5.857 -2.398 -7.875 491 HD21 LEU 70 1HD2 LEU 70 4.804 -1.957 -10.028 492 HD22 LEU 70 2HD2 LEU 70 5.606 -0.852 -11.177 493 HD23 LEU 70 3HD2 LEU 70 5.048 -0.255 -9.612 494 H THR 71 H THR 71 10.052 0.616 -8.294 495 HA THR 71 HA THR 71 10.929 3.303 -9.025 496 HB THR 71 HB THR 71 11.715 2.066 -6.926 497 HG1 THR 71 1HG THR 71 12.788 3.988 -7.376 498 HG21 THR 71 1HG2 THR 71 13.751 0.734 -7.125 499 HG22 THR 71 2HG2 THR 71 13.584 0.769 -8.889 500 HG23 THR 71 3HG2 THR 71 12.355 -0.013 -7.898 501 H ASN 72 H ASN 72 10.432 0.764 -10.805 502 HA ASN 72 HA ASN 72 12.664 1.109 -12.676 503 HB2 ASN 72 2HB ASN 72 10.321 -0.816 -12.703 504 HB3 ASN 72 1HB ASN 72 11.541 -0.711 -13.980 505 HD21 ASN 72 1HD2 ASN 72 10.856 -1.786 -10.713 506 HD22 ASN 72 2HD2 ASN 72 12.318 -2.703 -10.557 507 H GLY 73 H GLY 73 9.784 2.550 -11.974 508 HA2 GLY 73 2HA GLY 73 8.867 4.370 -13.111 509 HA3 GLY 73 1HA GLY 73 9.678 3.828 -14.593 510 H LYS 74 H LYS 74 7.927 1.691 -12.552 511 HA LYS 74 HA LYS 74 5.958 1.251 -14.680 512 HB2 LYS 74 2HB LYS 74 7.134 -0.601 -12.610 513 HB3 LYS 74 1HB LYS 74 5.929 -1.038 -13.806 514 HG2 LYS 74 2HG LYS 74 8.514 0.122 -14.635 515 HG3 LYS 74 1HG LYS 74 8.446 -1.569 -14.185 516 HD2 LYS 74 2HD LYS 74 6.584 -1.817 -15.878 517 HD3 LYS 74 1HD LYS 74 6.867 -0.139 -16.352 518 HE2 LYS 74 2HE LYS 74 9.128 -0.700 -17.015 519 HE3 LYS 74 1HE LYS 74 8.895 -2.362 -16.476 520 HZ1 LYS 74 1HZ LYS 74 7.453 -1.034 -18.721 521 HZ2 LYS 74 2HZ LYS 74 7.157 -2.600 -18.172 522 HZ3 LYS 74 3HZ LYS 74 8.643 -2.220 -18.829 523 H GLN 75 H GLN 75 3.902 0.644 -14.012 524 HA GLN 75 HA GLN 75 3.168 1.392 -11.269 525 HB2 GLN 75 2HB GLN 75 1.399 1.182 -13.720 526 HB3 GLN 75 1HB GLN 75 0.835 1.592 -12.103 527 HG2 GLN 75 2HG GLN 75 2.270 3.574 -12.144 528 HG3 GLN 75 1HG GLN 75 2.725 3.188 -13.802 529 HE21 GLN 75 1HE2 GLN 75 1.855 4.979 -14.739 530 HE22 GLN 75 2HE2 GLN 75 0.167 5.336 -14.773 531 H ALA 76 H ALA 76 2.013 -0.098 -10.092 532 HA ALA 76 HA ALA 76 2.583 -2.811 -10.990 533 HB1 ALA 76 1HB ALA 76 2.393 -3.501 -8.697 534 HB2 ALA 76 2HB ALA 76 1.767 -1.929 -8.212 535 HB3 ALA 76 3HB ALA 76 3.424 -2.090 -8.758 536 HA PRO 77 HA PRO 77 -1.666 -4.302 -11.572 537 HB2 PRO 77 2HB PRO 77 -0.983 -6.296 -9.491 538 HB3 PRO 77 1HB PRO 77 -1.611 -6.551 -11.137 539 HG2 PRO 77 2HG PRO 77 0.873 -7.139 -10.600 540 HG3 PRO 77 1HG PRO 77 0.455 -6.313 -12.124 541 HD2 PRO 77 2HD PRO 77 1.677 -5.202 -9.659 542 HD3 PRO 77 1HD PRO 77 2.014 -4.834 -11.369 543 H ASP 78 H ASP 78 -3.649 -4.235 -10.516 544 HA ASP 78 HA ASP 78 -3.841 -2.394 -8.413 545 HB2 ASP 78 2HB ASP 78 -6.218 -2.711 -8.397 546 HB3 ASP 78 1HB ASP 78 -5.673 -2.783 -10.064 547 H TRP 79 H TRP 79 -3.646 -5.842 -8.354 548 HA TRP 79 HA TRP 79 -4.578 -6.148 -5.694 549 HB2 TRP 79 2HB TRP 79 -3.659 -8.467 -5.853 550 HB3 TRP 79 1HB TRP 79 -4.747 -8.027 -7.169 551 HD1 TRP 79 HD TRP 79 -3.851 -8.169 -9.522 552 HE1 TRP 79 1HE TRP 79 -1.674 -9.031 -10.595 553 HE3 TRP 79 3HE TRP 79 -0.963 -8.540 -5.301 554 HZ2 TRP 79 2HZ TRP 79 0.931 -9.721 -9.762 555 HZ3 TRP 79 3HZ TRP 79 1.348 -9.283 -5.544 556 HH2 TRP 79 HH TRP 79 2.279 -9.864 -7.721 557 H LEU 80 H LEU 80 -1.614 -4.969 -6.910 558 HA LEU 80 HA LEU 80 -0.230 -5.853 -4.535 559 HB2 LEU 80 2HB LEU 80 0.863 -5.805 -6.817 560 HB3 LEU 80 1HB LEU 80 0.774 -4.042 -6.750 561 HG LEU 80 HG LEU 80 2.171 -4.109 -4.718 562 HD11 LEU 80 1HD1 LEU 80 3.401 -6.182 -4.220 563 HD12 LEU 80 2HD1 LEU 80 2.420 -7.014 -5.432 564 HD13 LEU 80 3HD1 LEU 80 1.657 -6.364 -3.973 565 HD21 LEU 80 1HD2 LEU 80 3.394 -5.462 -7.122 566 HD22 LEU 80 2HD2 LEU 80 4.284 -4.668 -5.828 567 HD23 LEU 80 3HD2 LEU 80 3.243 -3.720 -6.883 568 H ALA 81 H ALA 81 -0.867 -4.766 -2.864 569 HA ALA 81 HA ALA 81 -1.581 -1.906 -3.133 570 HB1 ALA 81 1HB ALA 81 -2.359 -3.857 -0.976 571 HB2 ALA 81 2HB ALA 81 -3.411 -3.314 -2.294 572 HB3 ALA 81 3HB ALA 81 -2.837 -2.171 -1.076 573 H ALA 82 H ALA 82 -1.140 -0.587 -1.390 574 HA ALA 82 HA ALA 82 0.959 -1.316 0.463 575 HB1 ALA 82 1HB ALA 82 1.272 0.971 -1.492 576 HB2 ALA 82 2HB ALA 82 2.225 -0.517 -1.487 577 HB3 ALA 82 3HB ALA 82 2.354 0.617 -0.146 578 H GLU 83 H GLU 83 0.602 -0.301 2.383 579 HA GLU 83 HA GLU 83 -0.752 2.248 2.422 580 HB2 GLU 83 2HB GLU 83 -2.227 1.415 4.318 581 HB3 GLU 83 1HB GLU 83 -2.646 0.784 2.729 582 HG2 GLU 83 2HG GLU 83 -1.619 -1.303 3.341 583 HG3 GLU 83 1HG GLU 83 -1.112 -0.627 4.896 584 HA PRO 84 HA PRO 84 2.447 2.671 5.406 585 HB2 PRO 84 2HB PRO 84 1.822 4.951 6.675 586 HB3 PRO 84 1HB PRO 84 2.032 4.927 4.950 587 HG2 PRO 84 2HG PRO 84 -0.605 4.662 6.314 588 HG3 PRO 84 1HG PRO 84 -0.085 5.893 5.135 589 HD2 PRO 84 2HD PRO 84 -1.343 3.714 4.222 590 HD3 PRO 84 1HD PRO 84 0.105 4.405 3.423 591 H TYR 85 H TYR 85 2.913 1.662 7.171 592 HA TYR 85 HA TYR 85 1.137 -0.084 8.263 593 HB2 TYR 85 2HB TYR 85 2.998 -1.181 9.012 594 HB3 TYR 85 1HB TYR 85 3.696 -0.009 8.013 595 HD1 TYR 85 1HD TYR 85 3.682 -1.341 11.275 596 HD2 TYR 85 2HD TYR 85 4.683 2.131 9.049 597 HE1 TYR 85 1HE TYR 85 5.278 -0.701 13.021 598 HE2 TYR 85 2HE TYR 85 6.292 2.788 10.796 599 HH TYR 85 HH TYR 85 7.317 0.602 13.111 Start of MODEL 20 1 H SER 7 1HT SER 7 -13.703 -8.868 -22.123 2 HA SER 7 HA SER 7 -13.223 -9.876 -20.021 3 HB2 SER 7 2HB SER 7 -10.453 -10.340 -21.162 4 HB3 SER 7 1HB SER 7 -11.081 -10.896 -19.609 5 HG SER 7 HG SER 7 -12.067 -12.508 -20.559 6 H GLY 8 H GLY 8 -13.533 -7.711 -19.396 7 HA2 GLY 8 2HA GLY 8 -11.093 -6.153 -19.345 8 HA3 GLY 8 1HA GLY 8 -12.497 -5.466 -20.148 9 H ARG 9 H ARG 9 -11.042 -4.651 -17.803 10 HA ARG 9 HA ARG 9 -13.355 -4.155 -16.176 11 HB2 ARG 9 2HB ARG 9 -12.099 -4.514 -14.083 12 HB3 ARG 9 1HB ARG 9 -12.199 -6.012 -14.987 13 HG2 ARG 9 2HG ARG 9 -9.913 -5.709 -15.768 14 HG3 ARG 9 1HG ARG 9 -9.820 -4.170 -14.922 15 HD2 ARG 9 2HD ARG 9 -10.106 -5.299 -12.794 16 HD3 ARG 9 1HD ARG 9 -10.278 -6.851 -13.607 17 HE ARG 9 HE ARG 9 -7.849 -5.202 -13.673 18 HH11 ARG 9 1HH1 ARG 9 -9.387 -8.404 -13.544 19 HH12 ARG 9 2HH1 ARG 9 -7.896 -9.231 -13.432 20 HH21 ARG 9 1HH2 ARG 9 -5.858 -6.373 -13.566 21 HH22 ARG 9 2HH2 ARG 9 -5.872 -8.082 -13.499 22 H GLU 10 H GLU 10 -13.273 -2.027 -15.531 23 HA GLU 10 HA GLU 10 -10.808 -0.621 -16.203 24 HB2 GLU 10 2HB GLU 10 -13.053 -0.146 -17.403 25 HB3 GLU 10 1HB GLU 10 -13.580 0.540 -15.877 26 HG2 GLU 10 2HG GLU 10 -12.099 2.323 -16.047 27 HG3 GLU 10 1HG GLU 10 -11.117 1.465 -17.249 28 H ASN 11 H ASN 11 -9.793 -0.973 -14.389 29 HA ASN 11 HA ASN 11 -11.198 -1.114 -11.856 30 HB2 ASN 11 2HB ASN 11 -9.816 -2.994 -12.776 31 HB3 ASN 11 1HB ASN 11 -8.404 -1.963 -12.665 32 HD21 ASN 11 1HD2 ASN 11 -7.445 -1.670 -10.647 33 HD22 ASN 11 2HD2 ASN 11 -7.938 -2.538 -9.245 34 H LEU 12 H LEU 12 -10.113 -0.270 -10.006 35 HA LEU 12 HA LEU 12 -8.564 2.149 -10.538 36 HB2 LEU 12 2HB LEU 12 -9.505 3.209 -8.590 37 HB3 LEU 12 1HB LEU 12 -10.825 2.644 -9.578 38 HG LEU 12 HG LEU 12 -9.866 1.320 -7.033 39 HD11 LEU 12 1HD1 LEU 12 -10.829 3.500 -6.599 40 HD12 LEU 12 2HD1 LEU 12 -11.906 2.218 -6.041 41 HD13 LEU 12 3HD1 LEU 12 -12.255 3.072 -7.543 42 HD21 LEU 12 1HD2 LEU 12 -12.324 0.791 -8.709 43 HD22 LEU 12 2HD2 LEU 12 -11.993 0.093 -7.122 44 HD23 LEU 12 3HD2 LEU 12 -10.958 -0.305 -8.485 45 H TYR 13 H TYR 13 -6.648 2.265 -9.483 46 HA TYR 13 HA TYR 13 -5.468 -0.112 -8.610 47 HB2 TYR 13 2HB TYR 13 -4.568 2.727 -8.106 48 HB3 TYR 13 1HB TYR 13 -3.580 1.301 -7.815 49 HD1 TYR 13 1HD TYR 13 -2.846 -0.091 -9.770 50 HD2 TYR 13 2HD TYR 13 -4.795 3.657 -10.266 51 HE1 TYR 13 1HE TYR 13 -2.049 0.012 -12.096 52 HE2 TYR 13 2HE TYR 13 -4.010 3.763 -12.586 53 HH TYR 13 HH TYR 13 -2.704 1.112 -14.199 54 H PHE 14 H PHE 14 -5.792 -1.189 -6.850 55 HA PHE 14 HA PHE 14 -7.152 -0.000 -4.644 56 HB2 PHE 14 2HB PHE 14 -6.073 -2.794 -5.032 57 HB3 PHE 14 1HB PHE 14 -6.971 -2.275 -3.614 58 HD1 PHE 14 1HD PHE 14 -7.212 -3.688 -6.842 59 HD2 PHE 14 2HD PHE 14 -9.313 -1.257 -4.055 60 HE1 PHE 14 1HE PHE 14 -9.321 -4.223 -7.978 61 HE2 PHE 14 2HE PHE 14 -11.432 -1.787 -5.187 62 HZ PHE 14 HZ PHE 14 -11.440 -3.274 -7.152 63 H GLN 15 H GLN 15 -6.400 0.352 -2.613 64 HA GLN 15 HA GLN 15 -3.519 0.252 -2.322 65 HB2 GLN 15 2HB GLN 15 -4.511 2.563 -2.733 66 HB3 GLN 15 1HB GLN 15 -5.401 2.363 -1.223 67 HG2 GLN 15 2HG GLN 15 -3.359 2.174 0.006 68 HG3 GLN 15 1HG GLN 15 -2.461 2.171 -1.505 69 HE21 GLN 15 1HE2 GLN 15 -1.237 3.834 -0.869 70 HE22 GLN 15 2HE2 GLN 15 -1.746 5.466 -0.730 71 H GLY 16 H GLY 16 -2.983 0.119 0.070 72 HA2 GLY 16 2HA GLY 16 -4.651 -1.885 1.248 73 HA3 GLY 16 1HA GLY 16 -3.153 -1.252 1.915 74 H HIS 17 H HIS 17 -4.740 -1.500 3.799 75 HA HIS 17 HA HIS 17 -6.856 0.328 4.211 76 HB2 HIS 17 2HB HIS 17 -6.748 -1.589 5.631 77 HB3 HIS 17 1HB HIS 17 -5.080 -1.257 6.069 78 HD1 HIS 17 1HD HIS 17 -4.684 0.205 8.090 79 HD2 HIS 17 2HD HIS 17 -8.675 0.091 6.940 80 HE1 HIS 17 1HE HIS 17 -5.962 1.284 9.946 81 H MET 18 H MET 18 -6.566 2.452 4.056 82 HA MET 18 HA MET 18 -4.110 3.743 4.525 83 HB2 MET 18 2HB MET 18 -5.915 4.782 3.151 84 HB3 MET 18 1HB MET 18 -6.844 5.035 4.627 85 HG2 MET 18 2HG MET 18 -5.039 6.443 5.516 86 HG3 MET 18 1HG MET 18 -4.136 6.212 4.028 87 HE1 MET 18 1HE MET 18 -8.078 8.576 4.398 88 HE2 MET 18 2HE MET 18 -7.224 7.814 5.745 89 HE3 MET 18 3HE MET 18 -8.013 6.816 4.523 90 H ALA 19 H ALA 19 -3.191 4.380 6.269 91 HA ALA 19 HA ALA 19 -4.637 4.555 8.781 92 HB1 ALA 19 1HB ALA 19 -3.681 2.306 8.720 93 HB2 ALA 19 2HB ALA 19 -2.758 3.297 9.853 94 HB3 ALA 19 3HB ALA 19 -2.113 2.959 8.251 95 H ALA 20 H ALA 20 -2.794 5.374 10.389 96 HA ALA 20 HA ALA 20 -1.994 7.916 9.603 97 HB1 ALA 20 1HB ALA 20 -2.220 7.236 11.942 98 HB2 ALA 20 2HB ALA 20 -0.617 7.901 11.639 99 HB3 ALA 20 3HB ALA 20 -0.836 6.155 11.772 100 HA PRO 21 HA PRO 21 1.560 6.943 7.179 101 HB2 PRO 21 2HB PRO 21 2.809 9.358 7.154 102 HB3 PRO 21 1HB PRO 21 1.314 9.043 6.245 103 HG2 PRO 21 2HG PRO 21 1.686 10.515 8.768 104 HG3 PRO 21 1HG PRO 21 0.534 10.788 7.446 105 HD2 PRO 21 2HD PRO 21 -0.068 9.546 9.837 106 HD3 PRO 21 1HD PRO 21 -1.006 9.401 8.341 107 H ALA 22 H ALA 22 2.450 5.527 8.582 108 HA ALA 22 HA ALA 22 4.051 6.397 10.820 109 HB1 ALA 22 1HB ALA 22 3.355 3.663 9.859 110 HB2 ALA 22 2HB ALA 22 2.402 4.622 10.986 111 HB3 ALA 22 3HB ALA 22 4.030 4.074 11.434 112 H ARG 23 H ARG 23 5.068 6.793 8.180 113 HA ARG 23 HA ARG 23 7.046 6.799 7.089 114 HB2 ARG 23 2HB ARG 23 8.082 6.165 9.836 115 HB3 ARG 23 1HB ARG 23 9.120 6.589 8.477 116 HG2 ARG 23 2HG ARG 23 7.885 8.710 8.229 117 HG3 ARG 23 1HG ARG 23 6.942 8.293 9.655 118 HD2 ARG 23 2HD ARG 23 8.934 8.353 11.029 119 HD3 ARG 23 1HD ARG 23 9.939 8.616 9.597 120 HE ARG 23 HE ARG 23 7.842 10.502 10.357 121 HH11 ARG 23 1HH1 ARG 23 11.250 9.861 9.810 122 HH12 ARG 23 2HH1 ARG 23 11.725 11.472 9.633 123 HH21 ARG 23 1HH2 ARG 23 8.464 12.775 10.168 124 HH22 ARG 23 2HH2 ARG 23 10.089 13.185 9.856 125 H SER 24 H SER 24 5.618 4.205 7.114 126 HA SER 24 HA SER 24 7.625 2.812 5.628 127 HB2 SER 24 2HB SER 24 6.337 1.612 8.072 128 HB3 SER 24 1HB SER 24 7.095 0.619 6.828 129 HG SER 24 HG SER 24 8.552 2.749 7.875 130 H CYS 25 H CYS 25 6.677 1.623 3.946 131 HA CYS 25 HA CYS 25 3.761 1.711 3.818 132 HB2 CYS 25 2HB CYS 25 5.868 1.586 1.641 133 HB3 CYS 25 1HB CYS 25 4.126 1.465 1.366 134 H VAL 26 H VAL 26 2.803 -0.191 3.681 135 HA VAL 26 HA VAL 26 4.529 -2.551 3.823 136 HB VAL 26 HB VAL 26 1.721 -2.251 4.936 137 HG11 VAL 26 1HG1 VAL 26 4.051 -3.927 5.750 138 HG12 VAL 26 2HG1 VAL 26 2.635 -4.511 4.837 139 HG13 VAL 26 3HG1 VAL 26 2.461 -3.898 6.499 140 HG21 VAL 26 1HG2 VAL 26 4.274 -1.574 6.283 141 HG22 VAL 26 2HG2 VAL 26 2.649 -1.638 7.011 142 HG23 VAL 26 3HG2 VAL 26 3.014 -0.457 5.752 143 H TYR 27 H TYR 27 4.255 -3.958 2.270 144 HA TYR 27 HA TYR 27 2.274 -3.354 0.252 145 HB2 TYR 27 2HB TYR 27 4.875 -4.873 0.137 146 HB3 TYR 27 1HB TYR 27 3.736 -4.805 -1.211 147 HD1 TYR 27 1HD TYR 27 5.514 -2.504 1.139 148 HD2 TYR 27 2HD TYR 27 3.991 -3.136 -2.763 149 HE1 TYR 27 1HE TYR 27 6.400 -0.328 0.471 150 HE2 TYR 27 2HE TYR 27 4.894 -0.930 -3.465 151 HH TYR 27 HH TYR 27 5.521 1.199 -2.437 152 H TYR 28 H TYR 28 0.712 -4.581 -0.275 153 HA TYR 28 HA TYR 28 0.529 -7.240 0.890 154 HB2 TYR 28 2HB TYR 28 -1.610 -5.110 0.794 155 HB3 TYR 28 1HB TYR 28 -1.860 -6.816 1.112 156 HD1 TYR 28 1HD TYR 28 -1.543 -7.727 3.235 157 HD2 TYR 28 2HD TYR 28 -0.270 -3.743 2.528 158 HE1 TYR 28 1HE TYR 28 -1.205 -7.433 5.637 159 HE2 TYR 28 2HE TYR 28 0.074 -3.439 4.935 160 HH TYR 28 HH TYR 28 0.043 -6.082 7.114 161 H ASP 29 H ASP 29 -0.495 -8.677 -0.302 162 HA ASP 29 HA ASP 29 -1.066 -8.114 -3.141 163 HB2 ASP 29 2HB ASP 29 0.440 -9.954 -2.561 164 HB3 ASP 29 1HB ASP 29 -0.778 -10.610 -1.474 165 H GLY 30 H GLY 30 -3.125 -7.278 -3.180 166 HA2 GLY 30 2HA GLY 30 -5.271 -9.067 -2.756 167 HA3 GLY 30 1HA GLY 30 -5.268 -7.928 -1.438 168 H HIS 31 H HIS 31 -7.239 -8.368 -3.478 169 HA HIS 31 HA HIS 31 -7.236 -5.766 -4.817 170 HB2 HIS 31 2HB HIS 31 -9.132 -8.104 -5.019 171 HB3 HIS 31 1HB HIS 31 -9.450 -6.532 -5.746 172 HD1 HIS 31 1HD HIS 31 -7.089 -5.877 -7.394 173 HD2 HIS 31 2HD HIS 31 -8.288 -9.819 -6.823 174 HE1 HIS 31 1HE HIS 31 -6.227 -7.184 -9.375 175 H LEU 32 H LEU 32 -8.337 -7.263 -1.985 176 HA LEU 32 HA LEU 32 -10.245 -5.053 -1.501 177 HB2 LEU 32 2HB LEU 32 -10.477 -7.840 -0.349 178 HB3 LEU 32 1HB LEU 32 -11.642 -6.551 -0.216 179 HG LEU 32 HG LEU 32 -10.925 -8.069 -2.647 180 HD11 LEU 32 1HD1 LEU 32 -13.373 -8.206 -0.884 181 HD12 LEU 32 2HD1 LEU 32 -12.151 -9.457 -1.115 182 HD13 LEU 32 3HD1 LEU 32 -13.231 -9.023 -2.439 183 HD21 LEU 32 1HD2 LEU 32 -12.902 -6.973 -3.695 184 HD22 LEU 32 2HD2 LEU 32 -11.628 -5.834 -3.267 185 HD23 LEU 32 3HD2 LEU 32 -13.068 -5.970 -2.253 186 HA PRO 33 HA PRO 33 -7.846 -4.620 2.284 187 HB2 PRO 33 2HB PRO 33 -9.777 -4.014 4.105 188 HB3 PRO 33 1HB PRO 33 -9.241 -2.855 2.865 189 HG2 PRO 33 2HG PRO 33 -11.619 -4.654 2.797 190 HG3 PRO 33 1HG PRO 33 -11.524 -2.915 2.439 191 HD2 PRO 33 2HD PRO 33 -11.532 -4.651 0.460 192 HD3 PRO 33 1HD PRO 33 -10.446 -3.241 0.415 193 H ALA 34 H ALA 34 -10.062 -7.047 1.694 194 HA ALA 34 HA ALA 34 -9.946 -8.350 4.322 195 HB1 ALA 34 1HB ALA 34 -11.360 -10.042 3.211 196 HB2 ALA 34 2HB ALA 34 -11.150 -9.182 1.697 197 HB3 ALA 34 3HB ALA 34 -12.047 -8.417 3.011 198 H THR 35 H THR 35 -8.715 -8.521 1.064 199 HA THR 35 HA THR 35 -7.767 -11.199 1.320 200 HB THR 35 HB THR 35 -7.051 -9.641 -1.041 201 HG1 THR 35 1HG THR 35 -9.801 -10.047 -0.450 202 HG21 THR 35 1HG2 THR 35 -8.879 -11.934 -0.485 203 HG22 THR 35 2HG2 THR 35 -7.160 -12.095 -0.863 204 HG23 THR 35 3HG2 THR 35 -8.315 -11.457 -2.079 205 H ARG 36 H ARG 36 -6.547 -7.934 1.508 206 HA ARG 36 HA ARG 36 -4.092 -8.130 0.464 207 HB2 ARG 36 2HB ARG 36 -3.521 -6.175 2.024 208 HB3 ARG 36 1HB ARG 36 -4.850 -6.000 0.898 209 HG2 ARG 36 2HG ARG 36 -5.634 -5.016 2.832 210 HG3 ARG 36 1HG ARG 36 -6.329 -6.628 2.914 211 HD2 ARG 36 2HD ARG 36 -4.483 -7.298 4.403 212 HD3 ARG 36 1HD ARG 36 -3.883 -5.647 4.323 213 HE ARG 36 HE ARG 36 -6.410 -6.515 5.534 214 HH11 ARG 36 1HH1 ARG 36 -3.994 -3.853 5.220 215 HH12 ARG 36 2HH1 ARG 36 -4.360 -3.170 6.660 216 HH21 ARG 36 1HH2 ARG 36 -6.946 -5.461 7.583 217 HH22 ARG 36 2HH2 ARG 36 -6.121 -4.074 8.062 218 H VAL 37 H VAL 37 -2.641 -9.453 0.600 219 HA VAL 37 HA VAL 37 -2.050 -10.926 3.057 220 HB VAL 37 HB VAL 37 -0.940 -11.291 0.268 221 HG11 VAL 37 1HG1 VAL 37 -0.864 -13.143 2.615 222 HG12 VAL 37 2HG1 VAL 37 0.497 -12.235 1.953 223 HG13 VAL 37 3HG1 VAL 37 -0.275 -13.504 0.993 224 HG21 VAL 37 1HG2 VAL 37 -3.223 -12.739 1.586 225 HG22 VAL 37 2HG2 VAL 37 -2.457 -13.231 0.079 226 HG23 VAL 37 3HG2 VAL 37 -3.311 -11.690 0.172 227 H LEU 38 H LEU 38 -0.276 -10.488 4.215 228 HA LEU 38 HA LEU 38 1.314 -8.239 3.654 229 HB2 LEU 38 2HB LEU 38 0.813 -9.130 5.917 230 HB3 LEU 38 1HB LEU 38 1.835 -10.499 5.592 231 HG LEU 38 HG LEU 38 2.828 -8.765 7.107 232 HD11 LEU 38 1HD1 LEU 38 4.387 -9.173 4.568 233 HD12 LEU 38 2HD1 LEU 38 4.335 -10.276 5.938 234 HD13 LEU 38 3HD1 LEU 38 5.042 -8.671 6.127 235 HD21 LEU 38 1HD2 LEU 38 1.902 -6.806 6.058 236 HD22 LEU 38 2HD2 LEU 38 2.885 -7.092 4.620 237 HD23 LEU 38 3HD2 LEU 38 3.658 -6.700 6.155 238 H LEU 39 H LEU 39 2.670 -8.141 2.037 239 HA LEU 39 HA LEU 39 4.259 -10.446 1.269 240 HB2 LEU 39 2HB LEU 39 4.128 -7.628 0.179 241 HB3 LEU 39 1HB LEU 39 5.075 -8.928 -0.516 242 HG LEU 39 HG LEU 39 2.063 -8.920 -0.312 243 HD11 LEU 39 1HD1 LEU 39 3.881 -8.430 -2.665 244 HD12 LEU 39 2HD1 LEU 39 2.868 -7.229 -1.870 245 HD13 LEU 39 3HD1 LEU 39 2.126 -8.575 -2.734 246 HD21 LEU 39 1HD2 LEU 39 2.230 -10.848 -1.818 247 HD22 LEU 39 2HD2 LEU 39 3.016 -11.149 -0.266 248 HD23 LEU 39 3HD2 LEU 39 3.989 -10.778 -1.690 249 H MET 40 H MET 40 4.816 -7.028 2.096 250 HA MET 40 HA MET 40 6.829 -7.575 4.014 251 HB2 MET 40 2HB MET 40 8.726 -6.593 2.837 252 HB3 MET 40 1HB MET 40 8.261 -8.179 2.165 253 HG2 MET 40 2HG MET 40 7.176 -6.948 0.334 254 HG3 MET 40 1HG MET 40 7.669 -5.450 1.137 255 HE1 MET 40 1HE MET 40 9.798 -8.774 0.840 256 HE2 MET 40 2HE MET 40 10.662 -8.485 -0.673 257 HE3 MET 40 3HE MET 40 8.911 -8.706 -0.684 258 H TYR 41 H TYR 41 7.958 -5.776 4.723 259 HA TYR 41 HA TYR 41 6.437 -3.261 4.618 260 HB2 TYR 41 2HB TYR 41 8.472 -4.404 6.532 261 HB3 TYR 41 1HB TYR 41 8.057 -2.706 6.543 262 HD1 TYR 41 1HD TYR 41 6.589 -2.051 8.120 263 HD2 TYR 41 2HD TYR 41 6.262 -6.021 6.645 264 HE1 TYR 41 1HE TYR 41 4.786 -2.480 9.714 265 HE2 TYR 41 2HE TYR 41 4.439 -6.461 8.247 266 HH TYR 41 HH TYR 41 2.924 -3.936 10.019 267 H VAL 42 H VAL 42 7.374 -1.446 3.777 268 HA VAL 42 HA VAL 42 10.247 -1.477 3.172 269 HB VAL 42 HB VAL 42 8.106 -0.116 1.527 270 HG11 VAL 42 1HG1 VAL 42 11.053 -0.521 1.009 271 HG12 VAL 42 2HG1 VAL 42 10.279 0.998 1.461 272 HG13 VAL 42 3HG1 VAL 42 9.913 0.251 -0.094 273 HG21 VAL 42 1HG2 VAL 42 7.911 -2.494 1.287 274 HG22 VAL 42 2HG2 VAL 42 9.641 -2.632 0.945 275 HG23 VAL 42 3HG2 VAL 42 8.566 -1.783 -0.191 276 H ARG 43 H ARG 43 11.233 0.390 3.897 277 HA ARG 43 HA ARG 43 9.712 2.076 5.670 278 HB2 ARG 43 2HB ARG 43 12.038 1.292 6.101 279 HB3 ARG 43 1HB ARG 43 12.579 2.284 4.755 280 HG2 ARG 43 2HG ARG 43 11.482 4.223 6.058 281 HG3 ARG 43 1HG ARG 43 11.570 3.119 7.438 282 HD2 ARG 43 2HD ARG 43 13.992 2.802 6.932 283 HD3 ARG 43 1HD ARG 43 13.795 4.042 5.685 284 HE ARG 43 HE ARG 43 13.735 4.400 8.565 285 HH11 ARG 43 1HH1 ARG 43 13.304 6.019 5.430 286 HH12 ARG 43 2HH1 ARG 43 13.951 7.487 5.946 287 HH21 ARG 43 1HH2 ARG 43 14.676 6.459 9.253 288 HH22 ARG 43 2HH2 ARG 43 14.728 7.757 8.155 289 H ILE 44 H ILE 44 9.363 4.228 5.332 290 HA ILE 44 HA ILE 44 9.138 5.236 2.645 291 HB ILE 44 HB ILE 44 9.364 7.010 5.097 292 HG12 ILE 44 2HG1 ILE 44 7.517 5.476 5.256 293 HG13 ILE 44 1HG1 ILE 44 6.973 7.165 5.199 294 HG21 ILE 44 1HG2 ILE 44 8.237 8.730 3.752 295 HG22 ILE 44 2HG2 ILE 44 8.293 7.648 2.358 296 HG23 ILE 44 3HG2 ILE 44 9.792 8.239 3.073 297 HD11 ILE 44 1HD1 ILE 44 6.269 6.725 2.858 298 HD12 ILE 44 2HD1 ILE 44 5.475 5.722 4.063 299 HD13 ILE 44 3HD1 ILE 44 6.752 5.032 3.081 300 H GLY 45 H GLY 45 10.584 5.914 1.450 301 HA2 GLY 45 2HA GLY 45 12.411 7.245 0.734 302 HA3 GLY 45 1HA GLY 45 12.951 7.347 2.417 303 H ASN 46 H ASN 46 11.985 4.318 1.094 304 HA ASN 46 HA ASN 46 14.733 3.548 0.528 305 HB2 ASN 46 2HB ASN 46 14.394 3.125 2.829 306 HB3 ASN 46 1HB ASN 46 12.909 2.225 2.438 307 HD21 ASN 46 1HD2 ASN 46 13.745 0.310 3.462 308 HD22 ASN 46 2HD2 ASN 46 15.059 -0.576 2.798 309 H THR 47 H THR 47 14.817 1.586 -0.532 310 HA THR 47 HA THR 47 12.476 1.075 -2.242 311 HB THR 47 HB THR 47 14.185 0.085 -3.759 312 HG1 THR 47 1HG THR 47 16.330 1.063 -3.437 313 HG21 THR 47 1HG2 THR 47 14.864 2.280 -4.706 314 HG22 THR 47 2HG2 THR 47 14.326 3.056 -3.214 315 HG23 THR 47 3HG2 THR 47 13.163 2.229 -4.246 316 H ALA 48 H ALA 48 12.160 -1.014 -2.946 317 HA ALA 48 HA ALA 48 13.562 -3.247 -1.756 318 HB1 ALA 48 1HB ALA 48 11.984 -2.714 0.059 319 HB2 ALA 48 2HB ALA 48 11.624 -4.271 -0.694 320 HB3 ALA 48 3HB ALA 48 10.646 -2.862 -1.084 321 H THR 49 H THR 49 13.167 -5.164 -2.786 322 HA THR 49 HA THR 49 11.652 -4.966 -5.277 323 HB THR 49 HB THR 49 13.555 -7.172 -4.396 324 HG1 THR 49 1HG THR 49 14.797 -5.358 -4.487 325 HG21 THR 49 1HG2 THR 49 13.705 -7.613 -6.797 326 HG22 THR 49 2HG2 THR 49 12.608 -6.271 -7.120 327 HG23 THR 49 3HG2 THR 49 12.027 -7.695 -6.257 328 H ILE 50 H ILE 50 9.651 -5.740 -5.161 329 HA ILE 50 HA ILE 50 8.814 -7.399 -2.879 330 HB ILE 50 HB ILE 50 7.096 -6.347 -5.115 331 HG12 ILE 50 2HG1 ILE 50 8.258 -4.390 -4.232 332 HG13 ILE 50 1HG1 ILE 50 6.542 -4.353 -3.813 333 HG21 ILE 50 1HG2 ILE 50 6.454 -7.047 -2.262 334 HG22 ILE 50 2HG2 ILE 50 6.057 -7.987 -3.699 335 HG23 ILE 50 3HG2 ILE 50 5.303 -6.414 -3.438 336 HD11 ILE 50 1HD1 ILE 50 8.815 -5.126 -2.028 337 HD12 ILE 50 2HD1 ILE 50 7.106 -5.137 -1.589 338 HD13 ILE 50 3HD1 ILE 50 7.911 -3.602 -1.980 339 H THR 51 H THR 51 9.206 -9.539 -3.366 340 HA THR 51 HA THR 51 8.556 -10.570 -5.992 341 HB THR 51 HB THR 51 9.147 -12.008 -3.460 342 HG1 THR 51 1HG THR 51 11.062 -10.904 -5.276 343 HG21 THR 51 1HG2 THR 51 8.455 -13.436 -5.301 344 HG22 THR 51 2HG2 THR 51 10.159 -13.716 -4.957 345 HG23 THR 51 3HG2 THR 51 9.690 -12.735 -6.345 346 H ALA 52 H ALA 52 6.473 -11.140 -6.399 347 HA ALA 52 HA ALA 52 4.876 -12.473 -4.389 348 HB1 ALA 52 1HB ALA 52 4.267 -10.118 -4.091 349 HB2 ALA 52 2HB ALA 52 2.926 -11.027 -4.790 350 HB3 ALA 52 3HB ALA 52 3.912 -9.985 -5.812 351 H ARG 53 H ARG 53 4.056 -14.195 -5.367 352 HA ARG 53 HA ARG 53 3.233 -15.648 -6.864 353 HB2 ARG 53 2HB ARG 53 2.456 -13.218 -8.494 354 HB3 ARG 53 1HB ARG 53 1.777 -14.843 -8.649 355 HG2 ARG 53 2HG ARG 53 0.837 -14.645 -6.406 356 HG3 ARG 53 1HG ARG 53 1.501 -13.005 -6.276 357 HD2 ARG 53 2HD ARG 53 0.176 -12.427 -8.325 358 HD3 ARG 53 1HD ARG 53 -0.592 -14.006 -8.194 359 HE ARG 53 HE ARG 53 -0.733 -12.372 -5.810 360 HH11 ARG 53 1HH1 ARG 53 -2.350 -13.200 -8.850 361 HH12 ARG 53 2HH1 ARG 53 -3.887 -12.667 -8.321 362 HH21 ARG 53 1HH2 ARG 53 -2.799 -11.675 -5.102 363 HH22 ARG 53 2HH2 ARG 53 -4.148 -11.764 -6.147 364 H GLY 54 H GLY 54 5.908 -14.644 -7.091 365 HA2 GLY 54 2HA GLY 54 7.698 -15.466 -8.402 366 HA3 GLY 54 1HA GLY 54 6.546 -15.767 -9.708 367 H HIS 55 H HIS 55 5.865 -12.726 -8.734 368 HA HIS 55 HA HIS 55 7.483 -11.535 -10.892 369 HB2 HIS 55 2HB HIS 55 5.184 -10.362 -9.295 370 HB3 HIS 55 1HB HIS 55 5.953 -9.653 -10.710 371 HD1 HIS 55 1HD HIS 55 4.180 -9.629 -12.500 372 HD2 HIS 55 2HD HIS 55 4.119 -13.138 -10.268 373 HE1 HIS 55 1HE HIS 55 2.314 -11.016 -13.426 374 H GLU 56 H GLU 56 8.977 -9.981 -10.358 375 HA GLU 56 HA GLU 56 9.046 -9.154 -7.549 376 HB2 GLU 56 2HB GLU 56 11.224 -9.764 -9.430 377 HB3 GLU 56 1HB GLU 56 11.484 -8.390 -8.357 378 HG2 GLU 56 2HG GLU 56 11.091 -9.657 -6.477 379 HG3 GLU 56 1HG GLU 56 10.594 -11.084 -7.337 380 H PHE 57 H PHE 57 8.653 -7.056 -7.176 381 HA PHE 57 HA PHE 57 8.657 -5.172 -9.446 382 HB2 PHE 57 2HB PHE 57 7.107 -5.027 -6.852 383 HB3 PHE 57 1HB PHE 57 6.913 -4.016 -8.284 384 HD1 PHE 57 1HD PHE 57 5.772 -6.870 -6.535 385 HD2 PHE 57 2HD PHE 57 6.143 -5.223 -10.444 386 HE1 PHE 57 1HE PHE 57 4.038 -8.403 -7.335 387 HE2 PHE 57 2HE PHE 57 4.401 -6.760 -11.250 388 HZ PHE 57 HZ PHE 57 3.343 -8.349 -9.683 389 H GLU 58 H GLU 58 10.377 -3.789 -9.249 390 HA GLU 58 HA GLU 58 11.503 -3.423 -6.578 391 HB2 GLU 58 2HB GLU 58 13.004 -3.807 -8.607 392 HB3 GLU 58 1HB GLU 58 12.519 -2.194 -9.142 393 HG2 GLU 58 2HG GLU 58 13.480 -1.208 -7.186 394 HG3 GLU 58 1HG GLU 58 13.861 -2.823 -6.592 395 H VAL 59 H VAL 59 10.650 -1.970 -5.365 396 HA VAL 59 HA VAL 59 9.299 0.341 -6.619 397 HB VAL 59 HB VAL 59 7.599 0.237 -4.950 398 HG11 VAL 59 1HG1 VAL 59 8.106 -2.585 -5.854 399 HG12 VAL 59 2HG1 VAL 59 7.316 -1.331 -6.794 400 HG13 VAL 59 3HG1 VAL 59 6.560 -1.924 -5.312 401 HG21 VAL 59 1HG2 VAL 59 8.953 -0.373 -3.056 402 HG22 VAL 59 2HG2 VAL 59 9.105 -2.025 -3.722 403 HG23 VAL 59 3HG2 VAL 59 7.519 -1.411 -3.215 404 H GLU 60 H GLU 60 9.101 2.185 -5.341 405 HA GLU 60 HA GLU 60 11.109 2.424 -3.237 406 HB2 GLU 60 2HB GLU 60 11.981 3.639 -5.213 407 HB3 GLU 60 1HB GLU 60 10.455 4.529 -5.336 408 HG2 GLU 60 2HG GLU 60 10.869 5.521 -3.136 409 HG3 GLU 60 1HG GLU 60 12.382 4.641 -3.023 410 H ALA 61 H ALA 61 9.876 2.535 -1.491 411 HA ALA 61 HA ALA 61 7.296 3.857 -1.635 412 HB1 ALA 61 1HB ALA 61 7.205 3.453 0.819 413 HB2 ALA 61 2HB ALA 61 8.858 2.841 0.762 414 HB3 ALA 61 3HB ALA 61 7.567 1.973 -0.071 415 H LYS 62 H LYS 62 7.925 5.828 -2.370 416 HA LYS 62 HA LYS 62 9.948 7.282 -0.973 417 HB2 LYS 62 2HB LYS 62 9.654 9.020 -2.660 418 HB3 LYS 62 1HB LYS 62 10.010 7.444 -3.340 419 HG2 LYS 62 2HG LYS 62 7.692 7.156 -3.875 420 HG3 LYS 62 1HG LYS 62 7.300 8.751 -3.207 421 HD2 LYS 62 2HD LYS 62 8.868 9.773 -4.844 422 HD3 LYS 62 1HD LYS 62 9.127 8.183 -5.557 423 HE2 LYS 62 2HE LYS 62 6.748 8.051 -6.108 424 HE3 LYS 62 1HE LYS 62 6.492 9.645 -5.401 425 HZ1 LYS 62 1HZ LYS 62 6.673 9.858 -7.764 426 HZ2 LYS 62 2HZ LYS 62 8.114 9.003 -7.803 427 HZ3 LYS 62 3HZ LYS 62 8.066 10.526 -7.088 428 H ASP 63 H ASP 63 6.482 7.217 -0.807 429 HA ASP 63 HA ASP 63 6.594 9.710 0.706 430 HB2 ASP 63 2HB ASP 63 5.926 10.115 -1.674 431 HB3 ASP 63 1HB ASP 63 4.555 9.046 -1.419 432 H GLN 64 H GLN 64 4.808 9.883 2.179 433 HA GLN 64 HA GLN 64 4.176 7.422 3.465 434 HB2 GLN 64 2HB GLN 64 2.868 10.076 3.936 435 HB3 GLN 64 1HB GLN 64 2.909 8.678 4.973 436 HG2 GLN 64 2HG GLN 64 5.181 8.971 5.537 437 HG3 GLN 64 1HG GLN 64 5.432 10.148 4.242 438 HE21 GLN 64 1HE2 GLN 64 5.852 10.473 7.169 439 HE22 GLN 64 2HE2 GLN 64 4.830 11.783 7.615 440 H ASN 65 H ASN 65 2.751 8.989 0.867 441 HA ASN 65 HA ASN 65 0.005 8.447 1.170 442 HB2 ASN 65 2HB ASN 65 0.912 9.770 -0.703 443 HB3 ASN 65 1HB ASN 65 1.744 8.341 -1.323 444 HD21 ASN 65 1HD2 ASN 65 -0.157 10.159 -2.567 445 HD22 ASN 65 2HD2 ASN 65 -1.489 9.232 -3.120 446 H CYS 66 H CYS 66 2.765 6.550 0.225 447 HA CYS 66 HA CYS 66 3.158 4.420 -0.193 448 HB2 CYS 66 2HB CYS 66 0.845 4.020 1.699 449 HB3 CYS 66 1HB CYS 66 1.926 2.741 1.119 450 H LYS 67 H LYS 67 1.844 5.661 -2.227 451 HA LYS 67 HA LYS 67 -0.150 3.894 -3.272 452 HB2 LYS 67 2HB LYS 67 -0.024 6.292 -3.711 453 HB3 LYS 67 1HB LYS 67 1.650 6.101 -4.203 454 HG2 LYS 67 2HG LYS 67 0.825 4.705 -6.113 455 HG3 LYS 67 1HG LYS 67 -0.823 5.169 -5.641 456 HD2 LYS 67 2HD LYS 67 1.280 7.051 -5.775 457 HD3 LYS 67 1HD LYS 67 0.530 6.674 -7.373 458 HE2 LYS 67 2HE LYS 67 -1.656 7.326 -6.150 459 HE3 LYS 67 1HE LYS 67 -0.638 7.974 -4.865 460 HZ1 LYS 67 1HZ LYS 67 0.312 9.522 -6.509 461 HZ2 LYS 67 2HZ LYS 67 -1.340 9.712 -6.368 462 HZ3 LYS 67 3HZ LYS 67 -0.713 8.902 -7.693 463 H VAL 68 H VAL 68 0.407 2.694 -5.118 464 HA VAL 68 HA VAL 68 2.931 1.395 -4.617 465 HB VAL 68 HB VAL 68 0.979 -0.032 -4.809 466 HG11 VAL 68 1HG1 VAL 68 -0.142 -0.493 -6.929 467 HG12 VAL 68 2HG1 VAL 68 0.755 0.829 -7.677 468 HG13 VAL 68 3HG1 VAL 68 -0.391 1.165 -6.376 469 HG21 VAL 68 1HG2 VAL 68 3.112 -0.988 -5.310 470 HG22 VAL 68 2HG2 VAL 68 2.981 -0.487 -6.995 471 HG23 VAL 68 3HG2 VAL 68 1.877 -1.703 -6.343 472 H ILE 69 H ILE 69 4.563 2.451 -5.364 473 HA ILE 69 HA ILE 69 4.554 3.220 -8.183 474 HB ILE 69 HB ILE 69 5.880 4.669 -5.866 475 HG12 ILE 69 2HG1 ILE 69 3.716 5.555 -7.775 476 HG13 ILE 69 1HG1 ILE 69 3.432 4.950 -6.152 477 HG21 ILE 69 1HG2 ILE 69 5.946 5.313 -8.822 478 HG22 ILE 69 2HG2 ILE 69 7.305 4.715 -7.872 479 HG23 ILE 69 3HG2 ILE 69 6.628 6.309 -7.535 480 HD11 ILE 69 1HD1 ILE 69 4.713 6.868 -5.258 481 HD12 ILE 69 2HD1 ILE 69 3.319 7.371 -6.218 482 HD13 ILE 69 3HD1 ILE 69 4.934 7.452 -6.911 483 H LEU 70 H LEU 70 5.915 2.188 -9.283 484 HA LEU 70 HA LEU 70 7.996 0.684 -7.946 485 HB2 LEU 70 2HB LEU 70 6.652 0.384 -10.599 486 HB3 LEU 70 1HB LEU 70 8.221 -0.341 -10.325 487 HG LEU 70 HG LEU 70 7.331 -1.860 -8.681 488 HD11 LEU 70 1HD1 LEU 70 5.129 -1.835 -7.836 489 HD12 LEU 70 2HD1 LEU 70 4.685 -0.423 -8.822 490 HD13 LEU 70 3HD1 LEU 70 5.853 -0.271 -7.526 491 HD21 LEU 70 1HD2 LEU 70 5.683 -3.012 -9.935 492 HD22 LEU 70 2HD2 LEU 70 7.000 -2.394 -10.957 493 HD23 LEU 70 3HD2 LEU 70 5.438 -1.569 -10.942 494 H THR 71 H THR 71 10.046 0.877 -8.494 495 HA THR 71 HA THR 71 10.639 3.641 -9.229 496 HB THR 71 HB THR 71 11.557 2.678 -7.115 497 HG1 THR 71 1HG THR 71 13.911 3.317 -7.987 498 HG21 THR 71 1HG2 THR 71 13.575 1.272 -7.231 499 HG22 THR 71 2HG2 THR 71 13.374 1.147 -8.980 500 HG23 THR 71 3HG2 THR 71 12.164 0.456 -7.903 501 H ASN 72 H ASN 72 10.342 0.985 -10.879 502 HA ASN 72 HA ASN 72 12.602 1.415 -12.705 503 HB2 ASN 72 2HB ASN 72 10.469 -0.721 -12.623 504 HB3 ASN 72 1HB ASN 72 11.684 -0.597 -13.905 505 HD21 ASN 72 1HD2 ASN 72 11.096 -2.610 -11.781 506 HD22 ASN 72 2HD2 ASN 72 12.624 -2.863 -11.018 507 H GLY 73 H GLY 73 9.555 2.512 -12.226 508 HA2 GLY 73 2HA GLY 73 8.478 4.162 -13.552 509 HA3 GLY 73 1HA GLY 73 9.405 3.588 -14.953 510 H LYS 74 H LYS 74 8.096 1.290 -12.956 511 HA LYS 74 HA LYS 74 6.347 0.290 -15.034 512 HB2 LYS 74 2HB LYS 74 7.501 -0.851 -12.508 513 HB3 LYS 74 1HB LYS 74 6.440 -1.731 -13.590 514 HG2 LYS 74 2HG LYS 74 8.979 -0.506 -14.533 515 HG3 LYS 74 1HG LYS 74 8.982 -2.093 -13.781 516 HD2 LYS 74 2HD LYS 74 7.254 -2.767 -15.501 517 HD3 LYS 74 1HD LYS 74 7.483 -1.190 -16.251 518 HE2 LYS 74 2HE LYS 74 9.827 -1.716 -16.664 519 HE3 LYS 74 1HE LYS 74 9.623 -3.277 -15.875 520 HZ1 LYS 74 1HZ LYS 74 9.498 -3.440 -18.305 521 HZ2 LYS 74 2HZ LYS 74 8.162 -2.418 -18.314 522 HZ3 LYS 74 3HZ LYS 74 8.061 -3.928 -17.586 523 H GLN 75 H GLN 75 4.210 -0.069 -14.661 524 HA GLN 75 HA GLN 75 2.921 0.944 -12.266 525 HB2 GLN 75 2HB GLN 75 1.796 -0.583 -14.634 526 HB3 GLN 75 1HB GLN 75 0.852 0.146 -13.350 527 HG2 GLN 75 2HG GLN 75 1.558 2.348 -14.071 528 HG3 GLN 75 1HG GLN 75 2.535 1.619 -15.351 529 HE21 GLN 75 1HE2 GLN 75 0.291 3.469 -15.551 530 HE22 GLN 75 2HE2 GLN 75 -0.901 2.696 -16.512 531 H ALA 76 H ALA 76 1.755 -0.530 -10.955 532 HA ALA 76 HA ALA 76 2.790 -3.260 -11.177 533 HB1 ALA 76 1HB ALA 76 3.530 -2.157 -9.139 534 HB2 ALA 76 2HB ALA 76 2.498 -3.505 -8.758 535 HB3 ALA 76 3HB ALA 76 1.872 -1.858 -8.640 536 HA PRO 77 HA PRO 77 -1.223 -5.098 -11.924 537 HB2 PRO 77 2HB PRO 77 -0.679 -6.635 -9.463 538 HB3 PRO 77 1HB PRO 77 -1.153 -7.203 -11.084 539 HG2 PRO 77 2HG PRO 77 1.292 -7.506 -10.214 540 HG3 PRO 77 1HG PRO 77 0.964 -7.075 -11.917 541 HD2 PRO 77 2HD PRO 77 2.036 -5.415 -9.717 542 HD3 PRO 77 1HD PRO 77 2.331 -5.318 -11.469 543 H ASP 78 H ASP 78 -3.245 -5.333 -11.087 544 HA ASP 78 HA ASP 78 -4.134 -3.144 -9.537 545 HB2 ASP 78 2HB ASP 78 -5.757 -5.548 -10.383 546 HB3 ASP 78 1HB ASP 78 -6.355 -3.937 -10.007 547 H TRP 79 H TRP 79 -2.859 -5.995 -8.497 548 HA TRP 79 HA TRP 79 -4.537 -6.129 -6.112 549 HB2 TRP 79 2HB TRP 79 -3.526 -8.436 -5.864 550 HB3 TRP 79 1HB TRP 79 -4.634 -8.207 -7.221 551 HD1 TRP 79 HD TRP 79 -3.709 -8.567 -9.537 552 HE1 TRP 79 1HE TRP 79 -1.528 -9.588 -10.506 553 HE3 TRP 79 3HE TRP 79 -0.871 -8.463 -5.324 554 HZ2 TRP 79 2HZ TRP 79 1.061 -10.207 -9.577 555 HZ3 TRP 79 3HZ TRP 79 1.451 -9.258 -5.439 556 HH2 TRP 79 HH TRP 79 2.395 -10.116 -7.520 557 H LEU 80 H LEU 80 -1.617 -4.903 -7.134 558 HA LEU 80 HA LEU 80 -0.259 -5.675 -4.705 559 HB2 LEU 80 2HB LEU 80 0.965 -5.602 -6.871 560 HB3 LEU 80 1HB LEU 80 0.738 -3.849 -6.896 561 HG LEU 80 HG LEU 80 1.979 -3.687 -4.798 562 HD11 LEU 80 1HD1 LEU 80 2.439 -6.617 -5.253 563 HD12 LEU 80 2HD1 LEU 80 1.575 -5.880 -3.893 564 HD13 LEU 80 3HD1 LEU 80 3.321 -5.638 -4.079 565 HD21 LEU 80 1HD2 LEU 80 4.226 -4.202 -5.698 566 HD22 LEU 80 2HD2 LEU 80 3.213 -3.333 -6.839 567 HD23 LEU 80 3HD2 LEU 80 3.466 -5.072 -7.033 568 H ALA 81 H ALA 81 -0.852 -4.654 -2.959 569 HA ALA 81 HA ALA 81 -1.562 -1.787 -3.080 570 HB1 ALA 81 1HB ALA 81 -3.358 -3.267 -2.239 571 HB2 ALA 81 2HB ALA 81 -2.744 -2.146 -1.012 572 HB3 ALA 81 3HB ALA 81 -2.243 -3.822 -0.975 573 H ALA 82 H ALA 82 -1.048 -0.554 -1.296 574 HA ALA 82 HA ALA 82 0.987 -1.425 0.562 575 HB1 ALA 82 1HB ALA 82 1.385 0.988 -1.224 576 HB2 ALA 82 2HB ALA 82 2.318 -0.508 -1.303 577 HB3 ALA 82 3HB ALA 82 2.422 0.524 0.124 578 H GLU 83 H GLU 83 0.772 -0.390 2.499 579 HA GLU 83 HA GLU 83 -0.882 2.000 2.755 580 HB2 GLU 83 2HB GLU 83 -2.058 0.873 4.682 581 HB3 GLU 83 1HB GLU 83 -2.449 0.174 3.120 582 HG2 GLU 83 2HG GLU 83 -0.884 -1.656 3.596 583 HG3 GLU 83 1HG GLU 83 -0.518 -0.923 5.152 584 HA PRO 84 HA PRO 84 2.528 2.540 5.649 585 HB2 PRO 84 2HB PRO 84 1.732 4.662 7.116 586 HB3 PRO 84 1HB PRO 84 2.159 4.824 5.451 587 HG2 PRO 84 2HG PRO 84 -0.617 4.441 6.483 588 HG3 PRO 84 1HG PRO 84 0.004 5.730 5.418 589 HD2 PRO 84 2HD PRO 84 -1.164 3.671 4.249 590 HD3 PRO 84 1HD PRO 84 0.403 4.319 3.685 591 H TYR 85 H TYR 85 3.009 1.489 7.343 592 HA TYR 85 HA TYR 85 1.302 -0.381 8.389 593 HB2 TYR 85 2HB TYR 85 3.183 -1.408 9.078 594 HB3 TYR 85 1HB TYR 85 3.921 -0.174 8.157 595 HD1 TYR 85 1HD TYR 85 4.976 1.810 9.316 596 HD2 TYR 85 2HD TYR 85 3.459 -1.521 11.453 597 HE1 TYR 85 1HE TYR 85 6.313 2.467 11.275 598 HE2 TYR 85 2HE TYR 85 4.759 -0.868 13.419 599 HH TYR 85 HH TYR 85 6.686 0.385 13.957
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