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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 | cing | stage | position | program | type |
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6455 |
1j3d ![]() ![]() |
cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 -6.035 18.863 -3.681 2 2H MET 1 2HT MET 1 -7.464 17.954 -3.826 3 3H MET 1 3HT MET 1 -6.787 18.240 -2.294 4 HA MET 1 HA MET 1 -7.974 20.297 -4.091 5 1HB MET 1 2HB MET 1 -8.827 18.730 -1.664 6 2HB MET 1 1HB MET 1 -9.525 20.319 -1.979 7 1HG MET 1 2HG MET 1 -10.243 19.580 -4.210 8 2HG MET 1 1HG MET 1 -9.516 17.998 -3.931 9 1HE MET 1 1HE MET 1 -11.716 16.110 -1.665 10 2HE MET 1 2HE MET 1 -10.034 16.625 -1.751 11 3HE MET 1 3HE MET 1 -10.849 16.060 -3.207 12 H LYS 2 H LYS 2 -6.981 19.698 -0.694 13 HA LYS 2 HA LYS 2 -6.069 22.540 -0.519 14 1HB LYS 2 2HB LYS 2 -7.784 21.453 1.050 15 2HB LYS 2 1HB LYS 2 -6.439 20.513 1.699 16 1HG LYS 2 2HG LYS 2 -5.258 22.821 1.960 17 2HG LYS 2 1HG LYS 2 -6.884 23.488 1.812 18 1HD LYS 2 2HD LYS 2 -7.613 21.959 3.666 19 2HD LYS 2 1HD LYS 2 -5.926 21.486 3.876 20 1HE LYS 2 2HE LYS 2 -6.171 23.229 5.451 21 2HE LYS 2 1HE LYS 2 -5.509 24.085 4.044 22 1HZ LYS 2 1HZ LYS 2 -7.753 24.577 3.317 23 2HZ LYS 2 2HZ LYS 2 -7.509 25.179 4.886 24 3HZ LYS 2 3HZ LYS 2 -8.400 23.752 4.650 25 H LYS 3 H LYS 3 -4.415 20.628 -1.918 26 HA LYS 3 HA LYS 3 -2.137 20.275 0.005 27 1HB LYS 3 2HB LYS 3 -3.333 18.286 -1.148 28 2HB LYS 3 1HB LYS 3 -2.539 18.838 -2.622 29 1HG LYS 3 2HG LYS 3 -0.345 18.742 -1.373 30 2HG LYS 3 1HG LYS 3 -1.208 17.969 -0.043 31 1HD LYS 3 2HD LYS 3 -1.363 16.886 -2.856 32 2HD LYS 3 1HD LYS 3 -0.061 16.419 -1.761 33 1HE LYS 3 2HE LYS 3 -1.507 15.297 -0.305 34 2HE LYS 3 1HE LYS 3 -2.917 16.244 -0.819 35 1HZ LYS 3 1HZ LYS 3 -1.427 14.310 -2.517 36 2HZ LYS 3 2HZ LYS 3 -2.776 15.222 -3.001 37 3HZ LYS 3 3HZ LYS 3 -2.940 14.024 -1.807 38 H ASP 4 H ASP 4 -0.028 20.862 -0.778 39 HA ASP 4 HA ASP 4 -0.060 22.718 -3.137 40 1HB ASP 4 2HB ASP 4 1.125 22.743 -0.407 41 2HB ASP 4 1HB ASP 4 2.123 23.424 -1.693 42 HA PRO 5 HA PRO 5 3.082 20.281 -5.038 43 1HB PRO 5 2HB PRO 5 4.921 22.097 -5.936 44 2HB PRO 5 1HB PRO 5 3.321 21.894 -6.679 45 1HG PRO 5 2HG PRO 5 4.271 23.969 -4.769 46 2HG PRO 5 1HG PRO 5 3.190 24.127 -6.163 47 1HD PRO 5 2HD PRO 5 2.315 24.033 -3.583 48 2HD PRO 5 1HD PRO 5 1.344 23.491 -4.970 49 H ASN 6 H ASN 6 4.188 22.622 -2.648 50 HA ASN 6 HA ASN 6 6.807 21.360 -2.253 51 1HB ASN 6 2HB ASN 6 5.177 23.524 -0.908 52 2HB ASN 6 1HB ASN 6 6.742 23.011 -0.273 53 1HD2 ASN 6 1HD2 ASN 6 5.246 25.098 -2.534 54 2HD2 ASN 6 2HD2 ASN 6 6.632 25.509 -3.424 55 H ALA 7 H ALA 7 3.587 21.111 -0.867 56 HA ALA 7 HA ALA 7 4.152 19.930 1.657 57 1HB ALA 7 1HB ALA 7 1.949 20.737 0.710 58 2HB ALA 7 2HB ALA 7 1.857 19.172 1.518 59 3HB ALA 7 3HB ALA 7 1.888 19.255 -0.244 60 HA PRO 8 HA PRO 8 5.546 15.926 0.586 61 1HB PRO 8 2HB PRO 8 4.703 14.446 2.705 62 2HB PRO 8 1HB PRO 8 6.094 15.544 2.725 63 1HG PRO 8 2HG PRO 8 3.476 15.861 3.959 64 2HG PRO 8 1HG PRO 8 5.013 16.661 4.257 65 1HD PRO 8 2HD PRO 8 2.786 17.713 2.842 66 2HD PRO 8 1HD PRO 8 4.361 18.474 3.137 67 H LYS 9 H LYS 9 4.868 13.891 -0.298 68 HA LYS 9 HA LYS 9 2.292 13.820 -1.527 69 1HB LYS 9 2HB LYS 9 4.521 11.849 -1.046 70 2HB LYS 9 1HB LYS 9 3.047 11.351 -1.878 71 1HG LYS 9 2HG LYS 9 4.598 13.801 -2.724 72 2HG LYS 9 1HG LYS 9 4.977 12.198 -3.354 73 1HD LYS 9 2HD LYS 9 2.478 12.022 -3.940 74 2HD LYS 9 1HD LYS 9 2.410 13.761 -3.657 75 1HE LYS 9 2HE LYS 9 4.451 12.532 -5.529 76 2HE LYS 9 1HE LYS 9 2.849 13.057 -6.083 77 1HZ LYS 9 1HZ LYS 9 4.764 14.744 -4.559 78 2HZ LYS 9 2HZ LYS 9 3.247 15.231 -5.149 79 3HZ LYS 9 3HZ LYS 9 4.501 14.850 -6.231 80 H ARG 10 H ARG 10 0.499 12.448 -1.132 81 HA ARG 10 HA ARG 10 -0.427 12.195 1.538 82 1HB ARG 10 2HB ARG 10 -2.190 10.802 0.485 83 2HB ARG 10 1HB ARG 10 -1.829 12.218 -0.498 84 1HG ARG 10 2HG ARG 10 -0.200 10.724 -1.795 85 2HG ARG 10 1HG ARG 10 -0.952 9.362 -0.964 86 1HD ARG 10 2HD ARG 10 -3.200 10.267 -1.810 87 2HD ARG 10 1HD ARG 10 -2.249 11.312 -2.885 88 HE ARG 10 HE ARG 10 -1.077 9.017 -3.489 89 1HH1 ARG 10 1HH1 ARG 10 -3.266 7.553 -1.940 90 2HH1 ARG 10 2HH1 ARG 10 -4.341 7.110 -3.224 91 1HH2 ARG 10 1HH2 ARG 10 -2.947 9.318 -5.507 92 2HH2 ARG 10 2HH2 ARG 10 -4.160 8.110 -5.244 93 HA PRO 11 HA PRO 11 1.425 8.478 3.019 94 1HB PRO 11 2HB PRO 11 -0.584 7.316 4.463 95 2HB PRO 11 1HB PRO 11 0.283 8.766 5.006 96 1HG PRO 11 2HG PRO 11 -2.396 8.526 3.742 97 2HG PRO 11 1HG PRO 11 -1.845 9.613 5.027 98 1HD PRO 11 2HD PRO 11 -2.154 10.372 2.420 99 2HD PRO 11 1HD PRO 11 -1.028 11.151 3.552 100 HA PRO 12 HA PRO 12 -0.104 5.685 -0.228 101 1HB PRO 12 2HB PRO 12 2.148 4.117 -0.332 102 2HB PRO 12 1HB PRO 12 1.997 5.664 -1.187 103 1HG PRO 12 2HG PRO 12 3.375 5.037 1.361 104 2HG PRO 12 1HG PRO 12 3.852 6.142 0.069 105 1HD PRO 12 2HD PRO 12 2.745 6.962 2.418 106 2HD PRO 12 1HD PRO 12 2.577 7.853 0.890 107 H SER 13 H SER 13 -0.831 3.520 -0.192 108 HA SER 13 HA SER 13 -0.724 2.160 2.484 109 1HB SER 13 2HB SER 13 -2.908 3.065 1.394 110 2HB SER 13 1HB SER 13 -2.746 1.711 0.280 111 HG SER 13 HG SER 13 -3.133 0.336 1.875 112 H ALA 14 H ALA 14 -0.445 -0.210 2.411 113 HA ALA 14 HA ALA 14 1.509 -1.181 0.587 114 1HB ALA 14 1HB ALA 14 1.226 -3.189 1.741 115 2HB ALA 14 2HB ALA 14 -0.520 -2.976 1.880 116 3HB ALA 14 3HB ALA 14 0.569 -2.026 2.893 117 H PHE 15 H PHE 15 -2.031 -1.771 0.596 118 HA PHE 15 HA PHE 15 -2.117 -3.313 -1.814 119 1HB PHE 15 2HB PHE 15 -3.932 -3.132 -0.129 120 2HB PHE 15 1HB PHE 15 -4.172 -1.443 -0.578 121 HD1 PHE 15 1HD PHE 15 -3.668 -4.630 -2.508 122 HD2 PHE 15 2HD PHE 15 -6.098 -1.149 -1.854 123 HE1 PHE 15 1HE PHE 15 -5.164 -5.326 -4.360 124 HE2 PHE 15 2HE PHE 15 -7.595 -1.846 -3.705 125 HZ PHE 15 HZ PHE 15 -7.127 -3.934 -4.959 126 H PHE 16 H PHE 16 -1.871 0.142 -1.226 127 HA PHE 16 HA PHE 16 -2.693 1.011 -3.864 128 1HB PHE 16 2HB PHE 16 -2.529 2.297 -1.618 129 2HB PHE 16 1HB PHE 16 -0.810 2.447 -1.982 130 HD1 PHE 16 1HD PHE 16 -0.058 4.196 -3.345 131 HD2 PHE 16 2HD PHE 16 -4.182 3.008 -3.517 132 HE1 PHE 16 1HE PHE 16 -0.542 6.096 -4.864 133 HE2 PHE 16 2HE PHE 16 -4.666 4.908 -5.036 134 HZ PHE 16 HZ PHE 16 -2.847 6.453 -5.708 135 H LEU 17 H LEU 17 0.421 0.112 -2.390 136 HA LEU 17 HA LEU 17 2.085 0.953 -4.601 137 1HB LEU 17 2HB LEU 17 2.269 -0.936 -2.261 138 2HB LEU 17 1HB LEU 17 3.539 -0.964 -3.485 139 HG LEU 17 HG LEU 17 3.624 1.597 -3.184 140 1HD1 LEU 17 1HD1 LEU 17 2.905 2.387 -0.959 141 2HD1 LEU 17 2HD1 LEU 17 2.194 0.807 -0.640 142 3HD1 LEU 17 3HD1 LEU 17 1.536 1.828 -1.918 143 1HD2 LEU 17 1HD2 LEU 17 5.471 0.352 -2.389 144 2HD2 LEU 17 2HD2 LEU 17 4.518 -0.389 -1.103 145 3HD2 LEU 17 3HD2 LEU 17 4.958 1.316 -1.005 146 H PHE 18 H PHE 18 1.474 -2.396 -3.643 147 HA PHE 18 HA PHE 18 1.936 -3.881 -5.885 148 1HB PHE 18 2HB PHE 18 1.063 -4.829 -3.831 149 2HB PHE 18 1HB PHE 18 -0.478 -4.003 -4.045 150 HD1 PHE 18 1HD PHE 18 -2.211 -4.963 -5.352 151 HD2 PHE 18 2HD PHE 18 1.749 -6.619 -5.504 152 HE1 PHE 18 1HE PHE 18 -3.072 -6.900 -6.637 153 HE2 PHE 18 2HE PHE 18 0.887 -8.557 -6.790 154 HZ PHE 18 HZ PHE 18 -1.525 -8.700 -7.357 155 H CYS 19 H CYS 19 -1.297 -2.296 -5.407 156 HA CYS 19 HA CYS 19 -2.233 -2.900 -8.044 157 1HB CYS 19 2HB CYS 19 -3.632 -2.300 -6.081 158 2HB CYS 19 1HB CYS 19 -2.983 -0.664 -6.138 159 HG CYS 19 HG CYS 19 -5.329 -0.955 -7.491 160 H SER 20 H SER 20 -0.602 -0.031 -6.710 161 HA SER 20 HA SER 20 -0.805 1.689 -8.954 162 1HB SER 20 2HB SER 20 0.009 2.459 -6.819 163 2HB SER 20 1HB SER 20 1.347 1.316 -6.852 164 HG SER 20 HG SER 20 2.305 2.480 -8.438 165 H GLU 21 H GLU 21 1.381 -1.055 -8.403 166 HA GLU 21 HA GLU 21 2.945 -0.387 -10.824 167 1HB GLU 21 2HB GLU 21 4.307 -2.320 -10.094 168 2HB GLU 21 1HB GLU 21 4.060 -1.174 -8.780 169 1HG GLU 21 2HG GLU 21 2.493 -2.562 -7.700 170 2HG GLU 21 1HG GLU 21 2.208 -3.522 -9.152 171 H HIS 22 H HIS 22 0.342 -2.589 -9.865 172 HA HIS 22 HA HIS 22 0.614 -4.084 -12.430 173 1HB HIS 22 2HB HIS 22 -0.971 -4.453 -9.873 174 2HB HIS 22 1HB HIS 22 -1.167 -5.497 -11.280 175 HD1 HIS 22 1HD HIS 22 1.321 -6.472 -12.177 176 HD2 HIS 22 2HD HIS 22 0.944 -5.421 -8.163 177 HE1 HIS 22 1HE HIS 22 3.193 -7.655 -10.949 178 H ARG 23 H ARG 23 -0.591 -1.214 -11.884 179 HA ARG 23 HA ARG 23 -3.408 -1.550 -12.600 180 1HB ARG 23 2HB ARG 23 -2.573 0.225 -11.101 181 2HB ARG 23 1HB ARG 23 -1.626 0.898 -12.424 182 1HG ARG 23 2HG ARG 23 -3.494 1.683 -13.553 183 2HG ARG 23 1HG ARG 23 -4.557 0.464 -12.848 184 1HD ARG 23 2HD ARG 23 -5.168 2.494 -11.752 185 2HD ARG 23 1HD ARG 23 -4.105 1.676 -10.590 186 HE ARG 23 HE ARG 23 -2.297 3.164 -11.253 187 1HH1 ARG 23 1HH1 ARG 23 -5.043 4.773 -11.075 188 2HH1 ARG 23 2HH1 ARG 23 -4.764 5.908 -12.353 189 1HH2 ARG 23 1HH2 ARG 23 -2.046 4.185 -13.646 190 2HH2 ARG 23 2HH2 ARG 23 -3.067 5.575 -13.809 191 HA PRO 24 HA PRO 24 -1.893 0.193 -16.774 192 1HB PRO 24 2HB PRO 24 0.762 0.054 -17.401 193 2HB PRO 24 1HB PRO 24 0.028 1.459 -16.604 194 1HG PRO 24 2HG PRO 24 1.663 -0.730 -15.453 195 2HG PRO 24 1HG PRO 24 1.600 0.985 -15.019 196 1HD PRO 24 2HD PRO 24 0.380 -1.032 -13.611 197 2HD PRO 24 1HD PRO 24 -0.103 0.674 -13.557 198 H LYS 25 H LYS 25 -0.950 -2.729 -15.303 199 HA LYS 25 HA LYS 25 -0.267 -4.141 -17.805 200 1HB LYS 25 2HB LYS 25 0.765 -4.488 -15.490 201 2HB LYS 25 1HB LYS 25 -0.760 -5.244 -15.028 202 1HG LYS 25 2HG LYS 25 0.351 -7.125 -15.753 203 2HG LYS 25 1HG LYS 25 -0.321 -6.600 -17.297 204 1HD LYS 25 2HD LYS 25 1.990 -6.998 -17.720 205 2HD LYS 25 1HD LYS 25 1.830 -5.245 -17.604 206 1HE LYS 25 2HE LYS 25 2.805 -5.175 -15.449 207 2HE LYS 25 1HE LYS 25 2.525 -6.907 -15.173 208 1HZ LYS 25 1HZ LYS 25 4.819 -6.539 -15.805 209 2HZ LYS 25 2HZ LYS 25 4.335 -5.727 -17.217 210 3HZ LYS 25 3HZ LYS 25 4.017 -7.386 -17.037 211 H ILE 26 H ILE 26 -2.934 -3.944 -15.461 212 HA ILE 26 HA ILE 26 -4.533 -6.037 -16.689 213 HB ILE 26 HB ILE 26 -5.217 -3.745 -14.817 214 1HG1 ILE 26 2HG1 ILE 26 -3.462 -5.251 -13.951 215 2HG1 ILE 26 1HG1 ILE 26 -4.957 -5.447 -13.044 216 1HG2 ILE 26 1HG2 ILE 26 -7.322 -4.451 -15.461 217 2HG2 ILE 26 2HG2 ILE 26 -7.006 -5.617 -14.176 218 3HG2 ILE 26 3HG2 ILE 26 -6.771 -6.077 -15.863 219 1HD1 ILE 26 1HD1 ILE 26 -4.102 -7.656 -13.509 220 2HD1 ILE 26 2HD1 ILE 26 -3.881 -7.268 -15.216 221 3HD1 ILE 26 3HD1 ILE 26 -5.507 -7.409 -14.546 222 H LYS 27 H LYS 27 -4.022 -2.653 -17.367 223 HA LYS 27 HA LYS 27 -6.533 -2.248 -18.830 224 1HB LYS 27 2HB LYS 27 -3.936 -0.744 -18.446 225 2HB LYS 27 1HB LYS 27 -5.206 -0.143 -19.513 226 1HG LYS 27 2HG LYS 27 -6.813 -0.223 -17.627 227 2HG LYS 27 1HG LYS 27 -5.519 -0.774 -16.563 228 1HD LYS 27 2HD LYS 27 -5.565 1.551 -16.190 229 2HD LYS 27 1HD LYS 27 -4.259 1.355 -17.360 230 1HE LYS 27 2HE LYS 27 -5.538 3.121 -18.282 231 2HE LYS 27 1HE LYS 27 -6.159 1.699 -19.145 232 1HZ LYS 27 1HZ LYS 27 -7.960 3.030 -18.177 233 2HZ LYS 27 2HZ LYS 27 -7.295 2.805 -16.630 234 3HZ LYS 27 3HZ LYS 27 -7.896 1.475 -17.500 235 H SER 28 H SER 28 -3.417 -3.620 -19.554 236 HA SER 28 HA SER 28 -3.423 -3.075 -22.418 237 1HB SER 28 2HB SER 28 -1.408 -3.538 -21.018 238 2HB SER 28 1HB SER 28 -1.991 -5.179 -20.759 239 HG SER 28 HG SER 28 -1.479 -5.686 -22.761 240 H GLU 29 H GLU 29 -4.121 -5.969 -20.433 241 HA GLU 29 HA GLU 29 -5.181 -7.439 -22.758 242 1HB GLU 29 2HB GLU 29 -4.801 -7.961 -19.806 243 2HB GLU 29 1HB GLU 29 -5.627 -9.120 -20.849 244 1HG GLU 29 2HG GLU 29 -2.893 -8.021 -21.522 245 2HG GLU 29 1HG GLU 29 -3.106 -9.469 -20.538 246 H HIS 30 H HIS 30 -6.487 -4.975 -21.047 247 HA HIS 30 HA HIS 30 -9.251 -5.870 -21.569 248 1HB HIS 30 2HB HIS 30 -8.295 -4.996 -18.817 249 2HB HIS 30 1HB HIS 30 -9.961 -5.353 -19.256 250 HD1 HIS 30 1HD HIS 30 -10.648 -7.817 -19.472 251 HD2 HIS 30 2HD HIS 30 -6.598 -7.305 -18.655 252 HE1 HIS 30 1HE HIS 30 -9.751 -10.104 -18.850 253 HA PRO 31 HA PRO 31 -8.338 -1.428 -22.464 254 1HB PRO 31 2HB PRO 31 -9.873 -1.333 -24.740 255 2HB PRO 31 1HB PRO 31 -8.175 -1.852 -24.737 256 1HG PRO 31 2HG PRO 31 -10.658 -3.512 -24.733 257 2HG PRO 31 1HG PRO 31 -9.163 -3.726 -25.662 258 1HD PRO 31 2HD PRO 31 -9.681 -5.175 -23.444 259 2HD PRO 31 1HD PRO 31 -8.032 -4.670 -23.880 260 H GLY 32 H GLY 32 -9.600 0.007 -21.348 261 1HA GLY 32 2HA GLY 32 -11.672 1.202 -20.961 262 2HA GLY 32 1HA GLY 32 -12.559 -0.212 -21.534 263 H LEU 33 H LEU 33 -10.617 -1.883 -19.782 264 HA LEU 33 HA LEU 33 -12.266 -2.446 -17.599 265 1HB LEU 33 2HB LEU 33 -10.076 -3.505 -18.596 266 2HB LEU 33 1HB LEU 33 -9.264 -2.530 -17.379 267 HG LEU 33 HG LEU 33 -9.720 -4.811 -16.553 268 1HD1 LEU 33 1HD1 LEU 33 -10.645 -4.182 -14.445 269 2HD1 LEU 33 2HD1 LEU 33 -11.536 -2.838 -15.159 270 3HD1 LEU 33 3HD1 LEU 33 -9.777 -2.771 -15.048 271 1HD2 LEU 33 1HD2 LEU 33 -11.859 -5.753 -16.449 272 2HD2 LEU 33 2HD2 LEU 33 -11.917 -4.896 -17.989 273 3HD2 LEU 33 3HD2 LEU 33 -12.662 -4.187 -16.558 274 H SER 34 H SER 34 -13.053 -0.756 -16.360 275 HA SER 34 HA SER 34 -11.706 1.600 -15.536 276 1HB SER 34 2HB SER 34 -13.469 1.448 -13.648 277 2HB SER 34 1HB SER 34 -14.063 1.452 -15.306 278 HG SER 34 HG SER 34 -15.051 -0.259 -14.407 279 H ILE 35 H ILE 35 -11.627 1.845 -12.851 280 HA ILE 35 HA ILE 35 -9.349 0.112 -12.077 281 HB ILE 35 HB ILE 35 -10.630 2.539 -10.777 282 1HG1 ILE 35 2HG1 ILE 35 -9.742 3.046 -13.025 283 2HG1 ILE 35 1HG1 ILE 35 -8.743 3.793 -11.781 284 1HG2 ILE 35 1HG2 ILE 35 -9.369 1.567 -9.073 285 2HG2 ILE 35 2HG2 ILE 35 -8.183 2.635 -9.822 286 3HG2 ILE 35 3HG2 ILE 35 -8.174 0.911 -10.192 287 1HD1 ILE 35 1HD1 ILE 35 -8.140 1.201 -13.240 288 2HD1 ILE 35 2HD1 ILE 35 -7.159 1.878 -11.940 289 3HD1 ILE 35 3HD1 ILE 35 -7.312 2.742 -13.469 290 H GLY 36 H GLY 36 -12.434 -0.603 -11.982 291 1HA GLY 36 2HA GLY 36 -12.618 -1.261 -9.086 292 2HA GLY 36 1HA GLY 36 -13.961 -1.308 -10.228 293 H ASP 37 H ASP 37 -13.131 -2.848 -12.258 294 HA ASP 37 HA ASP 37 -13.261 -5.522 -11.247 295 1HB ASP 37 2HB ASP 37 -12.562 -4.263 -13.900 296 2HB ASP 37 1HB ASP 37 -12.613 -6.013 -13.696 297 H THR 38 H THR 38 -10.495 -3.650 -12.564 298 HA THR 38 HA THR 38 -8.579 -5.790 -12.219 299 HB THR 38 HB THR 38 -8.288 -3.914 -13.790 300 HG1 THR 38 1HG THR 38 -6.372 -3.821 -11.706 301 1HG2 THR 38 1HG2 THR 38 -9.247 -2.322 -11.786 302 2HG2 THR 38 2HG2 THR 38 -8.399 -1.724 -13.210 303 3HG2 THR 38 3HG2 THR 38 -7.520 -1.979 -11.702 304 H ALA 39 H ALA 39 -9.834 -3.261 -10.141 305 HA ALA 39 HA ALA 39 -7.804 -3.465 -8.066 306 1HB ALA 39 1HB ALA 39 -9.084 -1.461 -8.192 307 2HB ALA 39 2HB ALA 39 -9.722 -2.292 -6.773 308 3HB ALA 39 3HB ALA 39 -10.605 -2.347 -8.298 309 H LYS 40 H LYS 40 -10.748 -5.159 -8.884 310 HA LYS 40 HA LYS 40 -11.075 -6.508 -6.306 311 1HB LYS 40 2HB LYS 40 -12.235 -6.679 -9.084 312 2HB LYS 40 1HB LYS 40 -12.595 -7.943 -7.908 313 1HG LYS 40 2HG LYS 40 -13.558 -6.356 -6.377 314 2HG LYS 40 1HG LYS 40 -12.993 -4.994 -7.346 315 1HD LYS 40 2HD LYS 40 -15.282 -5.224 -7.923 316 2HD LYS 40 1HD LYS 40 -14.410 -5.990 -9.253 317 1HE LYS 40 2HE LYS 40 -14.673 -8.179 -7.818 318 2HE LYS 40 1HE LYS 40 -15.998 -7.283 -7.047 319 1HZ LYS 40 1HZ LYS 40 -15.638 -7.668 -9.973 320 2HZ LYS 40 2HZ LYS 40 -16.890 -6.785 -9.240 321 3HZ LYS 40 3HZ LYS 40 -16.785 -8.465 -9.011 322 H LYS 41 H LYS 41 -9.740 -7.268 -9.503 323 HA LYS 41 HA LYS 41 -8.992 -10.004 -8.912 324 1HB LYS 41 2HB LYS 41 -8.400 -7.910 -10.973 325 2HB LYS 41 1HB LYS 41 -7.352 -9.329 -10.914 326 1HG LYS 41 2HG LYS 41 -9.321 -10.800 -11.100 327 2HG LYS 41 1HG LYS 41 -10.374 -9.387 -11.153 328 1HD LYS 41 2HD LYS 41 -9.655 -8.760 -13.280 329 2HD LYS 41 1HD LYS 41 -8.117 -9.609 -13.120 330 1HE LYS 41 2HE LYS 41 -9.066 -11.697 -13.603 331 2HE LYS 41 1HE LYS 41 -10.692 -11.176 -13.119 332 1HZ LYS 41 1HZ LYS 41 -9.168 -10.162 -15.460 333 2HZ LYS 41 2HZ LYS 41 -10.703 -9.620 -14.976 334 3HZ LYS 41 3HZ LYS 41 -10.497 -11.213 -15.528 335 H LEU 42 H LEU 42 -7.054 -6.996 -9.103 336 HA LEU 42 HA LEU 42 -4.545 -7.935 -8.278 337 1HB LEU 42 2HB LEU 42 -6.091 -5.414 -8.223 338 2HB LEU 42 1HB LEU 42 -4.731 -5.470 -7.104 339 HG LEU 42 HG LEU 42 -3.245 -6.146 -8.978 340 1HD1 LEU 42 1HD1 LEU 42 -4.001 -6.235 -11.219 341 2HD1 LEU 42 2HD1 LEU 42 -5.520 -5.431 -10.827 342 3HD1 LEU 42 3HD1 LEU 42 -5.247 -7.097 -10.316 343 1HD2 LEU 42 1HD2 LEU 42 -4.635 -3.700 -9.962 344 2HD2 LEU 42 2HD2 LEU 42 -2.921 -3.967 -9.640 345 3HD2 LEU 42 3HD2 LEU 42 -4.036 -3.682 -8.304 346 H GLY 43 H GLY 43 -7.168 -6.714 -6.154 347 1HA GLY 43 2HA GLY 43 -5.859 -7.062 -3.670 348 2HA GLY 43 1HA GLY 43 -7.612 -7.132 -3.879 349 H GLU 44 H GLU 44 -7.340 -9.420 -5.795 350 HA GLU 44 HA GLU 44 -7.452 -11.589 -3.850 351 1HB GLU 44 2HB GLU 44 -8.702 -11.230 -6.112 352 2HB GLU 44 1HB GLU 44 -7.228 -11.854 -6.853 353 1HG GLU 44 2HG GLU 44 -8.568 -13.345 -4.604 354 2HG GLU 44 1HG GLU 44 -9.107 -13.550 -6.271 355 H MET 45 H MET 45 -5.141 -10.419 -6.270 356 HA MET 45 HA MET 45 -3.241 -12.609 -5.832 357 1HB MET 45 2HB MET 45 -3.078 -9.931 -7.262 358 2HB MET 45 1HB MET 45 -1.879 -11.216 -7.394 359 1HG MET 45 2HG MET 45 -3.493 -12.715 -8.387 360 2HG MET 45 1HG MET 45 -4.804 -11.574 -8.087 361 1HE MET 45 1HE MET 45 -4.765 -11.283 -11.853 362 2HE MET 45 2HE MET 45 -5.756 -11.067 -10.413 363 3HE MET 45 3HE MET 45 -4.908 -12.589 -10.668 364 H TRP 46 H TRP 46 -3.640 -9.226 -4.814 365 HA TRP 46 HA TRP 46 -1.135 -8.772 -3.536 366 1HB TRP 46 2HB TRP 46 -2.789 -7.033 -3.937 367 2HB TRP 46 1HB TRP 46 -3.966 -7.840 -2.910 368 HD1 TRP 46 HD TRP 46 -4.159 -6.596 -0.691 369 HE1 TRP 46 1HE TRP 46 -2.516 -5.439 0.927 370 HE3 TRP 46 3HE TRP 46 0.184 -7.214 -3.274 371 HZ2 TRP 46 2HZ TRP 46 0.289 -4.858 1.092 372 HZ3 TRP 46 3HZ TRP 46 2.327 -6.349 -2.375 373 HH2 TRP 46 HH TRP 46 2.379 -5.172 -0.201 374 H SER 47 H SER 47 -4.192 -10.021 -2.115 375 HA SER 47 HA SER 47 -3.071 -10.659 0.459 376 1HB SER 47 2HB SER 47 -5.526 -10.367 -0.409 377 2HB SER 47 1HB SER 47 -5.406 -12.076 -0.819 378 HG SER 47 HG SER 47 -6.155 -11.985 1.251 379 H GLU 48 H GLU 48 -2.616 -12.146 -2.597 380 HA GLU 48 HA GLU 48 -2.009 -14.804 -1.406 381 1HB GLU 48 2HB GLU 48 -2.621 -13.709 -4.155 382 2HB GLU 48 1HB GLU 48 -1.913 -15.312 -3.951 383 1HG GLU 48 2HG GLU 48 -4.347 -14.556 -2.360 384 2HG GLU 48 1HG GLU 48 -4.525 -15.068 -4.040 385 H GLN 49 H GLN 49 -0.497 -11.900 -2.472 386 HA GLN 49 HA GLN 49 1.916 -12.990 -3.586 387 1HB GLN 49 2HB GLN 49 0.760 -10.450 -2.963 388 2HB GLN 49 1HB GLN 49 2.339 -10.493 -2.192 389 1HG GLN 49 2HG GLN 49 2.590 -9.633 -4.446 390 2HG GLN 49 1HG GLN 49 3.328 -11.232 -4.363 391 1HE2 GLN 49 1HE2 GLN 49 0.073 -9.825 -5.061 392 2HE2 GLN 49 2HE2 GLN 49 -0.257 -10.873 -6.351 393 H SER 50 H SER 50 3.883 -13.407 -2.555 394 HA SER 50 HA SER 50 3.730 -14.030 0.343 395 1HB SER 50 2HB SER 50 5.691 -15.384 -0.156 396 2HB SER 50 1HB SER 50 4.522 -15.654 -1.445 397 HG SER 50 HG SER 50 6.908 -15.038 -1.870 398 H ALA 51 H ALA 51 6.755 -13.704 0.465 399 HA ALA 51 HA ALA 51 6.785 -10.902 1.282 400 1HB ALA 51 1HB ALA 51 8.814 -13.146 1.100 401 2HB ALA 51 2HB ALA 51 8.045 -12.496 2.549 402 3HB ALA 51 3HB ALA 51 9.246 -11.538 1.683 403 H LYS 52 H LYS 52 7.494 -12.605 -1.672 404 HA LYS 52 HA LYS 52 9.501 -10.952 -2.829 405 1HB LYS 52 2HB LYS 52 8.302 -13.189 -3.552 406 2HB LYS 52 1HB LYS 52 7.221 -12.096 -4.418 407 1HG LYS 52 2HG LYS 52 8.960 -12.663 -5.963 408 2HG LYS 52 1HG LYS 52 9.309 -11.024 -5.414 409 1HD LYS 52 2HD LYS 52 11.391 -11.909 -5.050 410 2HD LYS 52 1HD LYS 52 10.655 -12.419 -3.531 411 1HE LYS 52 2HE LYS 52 11.440 -14.480 -4.234 412 2HE LYS 52 1HE LYS 52 9.895 -14.489 -5.108 413 1HZ LYS 52 1HZ LYS 52 11.720 -14.906 -6.631 414 2HZ LYS 52 2HZ LYS 52 12.484 -13.466 -6.152 415 3HZ LYS 52 3HZ LYS 52 11.002 -13.410 -6.979 416 H ASP 53 H ASP 53 5.925 -10.688 -3.093 417 HA ASP 53 HA ASP 53 6.307 -7.799 -3.810 418 1HB ASP 53 2HB ASP 53 4.718 -10.004 -5.036 419 2HB ASP 53 1HB ASP 53 4.000 -8.393 -5.019 420 H LYS 54 H LYS 54 6.078 -8.005 -1.313 421 HA LYS 54 HA LYS 54 3.511 -6.927 -0.540 422 1HB LYS 54 2HB LYS 54 3.518 -9.620 -0.775 423 2HB LYS 54 1HB LYS 54 4.050 -9.461 0.893 424 1HG LYS 54 2HG LYS 54 2.063 -7.805 1.139 425 2HG LYS 54 1HG LYS 54 1.491 -8.498 -0.372 426 1HD LYS 54 2HD LYS 54 0.455 -9.682 1.481 427 2HD LYS 54 1HD LYS 54 1.586 -10.758 0.663 428 1HE LYS 54 2HE LYS 54 3.170 -10.632 2.404 429 2HE LYS 54 1HE LYS 54 2.489 -9.118 3.033 430 1HZ LYS 54 1HZ LYS 54 1.240 -11.811 3.090 431 2HZ LYS 54 2HZ LYS 54 0.399 -10.381 3.455 432 3HZ LYS 54 3HZ LYS 54 1.709 -10.870 4.421 433 H GLN 55 H GLN 55 6.558 -8.409 0.508 434 HA GLN 55 HA GLN 55 6.515 -7.316 3.195 435 1HB GLN 55 2HB GLN 55 8.367 -8.767 1.383 436 2HB GLN 55 1HB GLN 55 9.121 -7.854 2.689 437 1HG GLN 55 2HG GLN 55 6.863 -9.838 3.083 438 2HG GLN 55 1HG GLN 55 8.569 -10.216 3.325 439 1HE2 GLN 55 1HE2 GLN 55 5.779 -8.727 4.772 440 2HE2 GLN 55 2HE2 GLN 55 6.544 -8.187 6.188 441 HA PRO 56 HA PRO 56 9.497 -4.015 1.480 442 1HB PRO 56 2HB PRO 56 9.816 -3.763 -1.223 443 2HB PRO 56 1HB PRO 56 10.831 -4.816 -0.220 444 1HG PRO 56 2HG PRO 56 8.548 -5.513 -1.985 445 2HG PRO 56 1HG PRO 56 10.050 -6.397 -1.676 446 1HD PRO 56 2HD PRO 56 7.637 -7.030 -0.557 447 2HD PRO 56 1HD PRO 56 9.206 -7.437 0.168 448 H TYR 57 H TYR 57 6.369 -4.671 0.270 449 HA TYR 57 HA TYR 57 5.921 -1.937 -0.780 450 1HB TYR 57 2HB TYR 57 4.339 -4.500 -0.582 451 2HB TYR 57 1HB TYR 57 3.572 -2.990 -1.070 452 HD1 TYR 57 1HD TYR 57 5.400 -1.613 -2.748 453 HD2 TYR 57 2HD TYR 57 4.790 -5.846 -2.422 454 HE1 TYR 57 1HE TYR 57 6.270 -1.913 -5.049 455 HE2 TYR 57 2HE TYR 57 5.661 -6.151 -4.723 456 HH TYR 57 HH TYR 57 5.945 -4.854 -6.765 457 H GLU 58 H GLU 58 5.047 -3.942 2.030 458 HA GLU 58 HA GLU 58 3.263 -1.882 3.131 459 1HB GLU 58 2HB GLU 58 3.076 -3.505 4.987 460 2HB GLU 58 1HB GLU 58 2.876 -4.306 3.432 461 1HG GLU 58 2HG GLU 58 4.483 -5.744 4.103 462 2HG GLU 58 1HG GLU 58 5.624 -4.422 3.875 463 H GLN 59 H GLN 59 6.642 -2.804 3.408 464 HA GLN 59 HA GLN 59 7.124 -1.234 5.846 465 1HB GLN 59 2HB GLN 59 8.948 -2.538 3.801 466 2HB GLN 59 1HB GLN 59 9.471 -1.889 5.355 467 1HG GLN 59 2HG GLN 59 8.298 -3.534 6.576 468 2HG GLN 59 1HG GLN 59 7.288 -3.962 5.194 469 1HE2 GLN 59 1HE2 GLN 59 10.855 -3.550 5.249 470 2HE2 GLN 59 2HE2 GLN 59 11.199 -5.147 4.784 471 H LYS 60 H LYS 60 6.565 -0.395 2.638 472 HA LYS 60 HA LYS 60 8.430 1.938 2.689 473 1HB LYS 60 2HB LYS 60 8.404 0.339 0.749 474 2HB LYS 60 1HB LYS 60 6.719 0.777 0.462 475 1HG LYS 60 2HG LYS 60 7.477 3.185 0.277 476 2HG LYS 60 1HG LYS 60 9.138 2.594 0.310 477 1HD LYS 60 2HD LYS 60 8.808 1.323 -1.709 478 2HD LYS 60 1HD LYS 60 7.071 1.630 -1.683 479 1HE LYS 60 2HE LYS 60 7.348 3.917 -2.258 480 2HE LYS 60 1HE LYS 60 9.072 3.897 -1.834 481 1HZ LYS 60 1HZ LYS 60 9.454 2.287 -3.594 482 2HZ LYS 60 2HZ LYS 60 8.763 3.703 -4.232 483 3HZ LYS 60 3HZ LYS 60 7.810 2.313 -4.011 484 H ALA 61 H ALA 61 5.062 0.965 2.800 485 HA ALA 61 HA ALA 61 4.144 3.777 2.531 486 1HB ALA 61 1HB ALA 61 1.922 2.200 2.809 487 2HB ALA 61 2HB ALA 61 3.069 1.053 2.119 488 3HB ALA 61 3HB ALA 61 2.689 2.545 1.259 489 H ALA 62 H ALA 62 4.259 1.059 4.771 490 HA ALA 62 HA ALA 62 2.637 2.213 6.861 491 1HB ALA 62 1HB ALA 62 3.264 -0.193 6.622 492 2HB ALA 62 2HB ALA 62 3.680 0.438 8.216 493 3HB ALA 62 3HB ALA 62 4.936 0.226 6.996 494 H LYS 63 H LYS 63 6.149 2.251 6.187 495 HA LYS 63 HA LYS 63 6.751 3.893 8.542 496 1HB LYS 63 2HB LYS 63 8.235 2.160 7.416 497 2HB LYS 63 1HB LYS 63 8.434 3.306 6.090 498 1HG LYS 63 2HG LYS 63 9.553 4.875 7.455 499 2HG LYS 63 1HG LYS 63 8.986 4.116 8.943 500 1HD LYS 63 2HD LYS 63 10.806 2.697 6.987 501 2HD LYS 63 1HD LYS 63 11.422 3.661 8.330 502 1HE LYS 63 2HE LYS 63 9.946 2.236 9.862 503 2HE LYS 63 1HE LYS 63 9.727 1.154 8.473 504 1HZ LYS 63 1HZ LYS 63 12.360 2.056 9.516 505 2HZ LYS 63 2HZ LYS 63 12.099 0.950 8.253 506 3HZ LYS 63 3HZ LYS 63 11.666 0.544 9.845 507 H LEU 64 H LEU 64 5.324 4.593 5.565 508 HA LEU 64 HA LEU 64 6.515 7.325 5.398 509 1HB LEU 64 2HB LEU 64 5.328 5.333 3.554 510 2HB LEU 64 1HB LEU 64 4.856 7.000 3.234 511 HG LEU 64 HG LEU 64 6.885 6.397 1.966 512 1HD1 LEU 64 1HD1 LEU 64 7.792 8.244 4.164 513 2HD1 LEU 64 2HD1 LEU 64 6.481 8.719 3.083 514 3HD1 LEU 64 3HD1 LEU 64 8.079 8.361 2.427 515 1HD2 LEU 64 1HD2 LEU 64 8.764 5.461 2.909 516 2HD2 LEU 64 2HD2 LEU 64 7.570 4.840 4.049 517 3HD2 LEU 64 3HD2 LEU 64 8.518 6.270 4.458 518 H LYS 65 H LYS 65 3.611 5.550 6.198 519 HA LYS 65 HA LYS 65 1.762 7.796 5.961 520 1HB LYS 65 2HB LYS 65 1.111 5.419 5.753 521 2HB LYS 65 1HB LYS 65 1.621 5.126 7.416 522 1HG LYS 65 2HG LYS 65 -0.043 7.021 8.036 523 2HG LYS 65 1HG LYS 65 -0.711 6.765 6.424 524 1HD LYS 65 2HD LYS 65 -0.684 4.226 7.156 525 2HD LYS 65 1HD LYS 65 -0.689 4.914 8.781 526 1HE LYS 65 2HE LYS 65 -2.987 4.773 8.358 527 2HE LYS 65 1HE LYS 65 -2.650 6.412 7.768 528 1HZ LYS 65 1HZ LYS 65 -2.274 5.522 5.564 529 2HZ LYS 65 2HZ LYS 65 -3.824 5.082 6.100 530 3HZ LYS 65 3HZ LYS 65 -2.563 3.944 6.113 531 H GLU 66 H GLU 66 3.421 6.136 8.661 532 HA GLU 66 HA GLU 66 2.362 7.788 10.765 533 1HB GLU 66 2HB GLU 66 4.770 6.006 10.388 534 2HB GLU 66 1HB GLU 66 4.525 6.880 11.902 535 1HG GLU 66 2HG GLU 66 2.409 5.802 12.277 536 2HG GLU 66 1HG GLU 66 2.411 5.105 10.657 537 H LYS 67 H LYS 67 5.240 8.054 8.706 538 HA LYS 67 HA LYS 67 6.430 10.301 10.088 539 1HB LYS 67 2HB LYS 67 7.454 8.602 8.454 540 2HB LYS 67 1HB LYS 67 6.724 9.562 7.168 541 1HG LYS 67 2HG LYS 67 8.774 10.615 7.291 542 2HG LYS 67 1HG LYS 67 7.900 11.556 8.500 543 1HD LYS 67 2HD LYS 67 9.935 10.934 9.561 544 2HD LYS 67 1HD LYS 67 8.723 9.828 10.211 545 1HE LYS 67 2HE LYS 67 9.406 8.143 8.472 546 2HE LYS 67 1HE LYS 67 10.724 9.235 8.002 547 1HZ LYS 67 1HZ LYS 67 11.448 7.648 9.698 548 2HZ LYS 67 2HZ LYS 67 10.238 8.210 10.750 549 3HZ LYS 67 3HZ LYS 67 11.504 9.240 10.281 550 H TYR 68 H TYR 68 3.818 10.014 7.797 551 HA TYR 68 HA TYR 68 3.918 12.705 6.702 552 1HB TYR 68 2HB TYR 68 2.765 10.517 5.889 553 2HB TYR 68 1HB TYR 68 1.474 10.955 7.002 554 HD1 TYR 68 1HD TYR 68 -0.325 11.970 5.950 555 HD2 TYR 68 2HD TYR 68 3.651 12.819 4.563 556 HE1 TYR 68 1HE TYR 68 -1.248 13.522 4.252 557 HE2 TYR 68 2HE TYR 68 2.725 14.373 2.866 558 HH TYR 68 HH TYR 68 -0.519 14.445 2.017 559 H GLU 69 H GLU 69 2.456 11.203 9.522 560 HA GLU 69 HA GLU 69 0.592 13.252 10.241 561 1HB GLU 69 2HB GLU 69 2.173 11.252 11.894 562 2HB GLU 69 1HB GLU 69 0.779 12.156 12.489 563 1HG GLU 69 2HG GLU 69 -0.440 11.189 10.394 564 2HG GLU 69 1HG GLU 69 0.872 10.009 10.381 565 H LYS 70 H LYS 70 4.082 12.923 10.841 566 HA LYS 70 HA LYS 70 4.099 15.335 12.569 567 1HB LYS 70 2HB LYS 70 6.192 13.357 11.601 568 2HB LYS 70 1HB LYS 70 6.549 14.707 12.678 569 1HG LYS 70 2HG LYS 70 5.397 13.776 14.459 570 2HG LYS 70 1HG LYS 70 4.310 12.863 13.413 571 1HD LYS 70 2HD LYS 70 6.372 11.495 12.729 572 2HD LYS 70 1HD LYS 70 7.184 12.239 14.107 573 1HE LYS 70 2HE LYS 70 6.312 10.287 15.078 574 2HE LYS 70 1HE LYS 70 5.009 11.446 15.409 575 1HZ LYS 70 1HZ LYS 70 3.945 10.797 13.340 576 2HZ LYS 70 2HZ LYS 70 4.145 9.442 14.347 577 3HZ LYS 70 3HZ LYS 70 5.182 9.681 13.022 578 H ASP 71 H ASP 71 5.054 14.195 9.384 579 HA ASP 71 HA ASP 71 6.564 16.472 8.498 580 1HB ASP 71 2HB ASP 71 5.200 14.094 7.388 581 2HB ASP 71 1HB ASP 71 5.346 15.431 6.257 582 H ILE 72 H ILE 72 3.180 15.563 7.817 583 HA ILE 72 HA ILE 72 2.321 17.934 6.554 584 HB ILE 72 HB ILE 72 1.009 15.804 8.253 585 1HG1 ILE 72 2HG1 ILE 72 1.868 15.195 6.032 586 2HG1 ILE 72 1HG1 ILE 72 0.110 15.097 6.079 587 1HG2 ILE 72 1HG2 ILE 72 -0.279 18.247 7.056 588 2HG2 ILE 72 2HG2 ILE 72 -0.573 17.494 8.623 589 3HG2 ILE 72 3HG2 ILE 72 -1.176 16.731 7.152 590 1HD1 ILE 72 1HD1 ILE 72 0.169 16.379 4.203 591 2HD1 ILE 72 2HD1 ILE 72 1.842 16.858 4.482 592 3HD1 ILE 72 3HD1 ILE 72 0.533 17.715 5.294 593 H ALA 73 H ALA 73 2.343 17.165 10.052 594 HA ALA 73 HA ALA 73 1.100 19.578 10.968 595 1HB ALA 73 1HB ALA 73 1.409 17.585 12.354 596 2HB ALA 73 2HB ALA 73 2.245 18.940 13.112 597 3HB ALA 73 3HB ALA 73 3.162 17.728 12.218 598 H ALA 74 H ALA 74 4.575 18.730 10.939 599 HA ALA 74 HA ALA 74 5.637 21.255 11.625 600 1HB ALA 74 1HB ALA 74 6.901 19.146 11.529 601 2HB ALA 74 2HB ALA 74 7.690 20.365 10.528 602 3HB ALA 74 3HB ALA 74 6.717 19.102 9.775 603 H TYR 75 H TYR 75 4.574 20.026 8.483 604 HA TYR 75 HA TYR 75 5.529 22.398 7.029 605 1HB TYR 75 2HB TYR 75 4.971 19.761 6.425 606 2HB TYR 75 1HB TYR 75 3.572 20.598 5.756 607 HD1 TYR 75 1HD TYR 75 7.311 20.715 5.848 608 HD2 TYR 75 2HD TYR 75 3.734 21.710 3.688 609 HE1 TYR 75 1HE TYR 75 8.682 21.467 3.924 610 HE2 TYR 75 2HE TYR 75 5.107 22.460 1.762 611 HH TYR 75 HH TYR 75 7.790 23.388 1.671 612 H ARG 76 H ARG 76 2.649 21.384 8.705 613 HA ARG 76 HA ARG 76 0.670 22.933 7.337 614 1HB ARG 76 2HB ARG 76 0.246 21.147 9.003 615 2HB ARG 76 1HB ARG 76 0.913 22.175 10.270 616 1HG ARG 76 2HG ARG 76 -0.838 23.872 9.784 617 2HG ARG 76 1HG ARG 76 -1.528 22.787 8.577 618 1HD ARG 76 2HD ARG 76 -1.546 21.056 10.583 619 2HD ARG 76 1HD ARG 76 -1.537 22.532 11.568 620 HE ARG 76 HE ARG 76 -3.468 23.201 9.851 621 1HH1 ARG 76 1HH2 ARG 76 -3.253 20.065 9.339 622 2HH1 ARG 76 2HH2 ARG 76 -4.690 19.566 10.167 623 1HH2 ARG 76 1HH1 ARG 76 -5.139 22.604 11.776 624 2HH2 ARG 76 2HH1 ARG 76 -5.757 21.002 11.547 625 H ALA 77 H ALA 77 2.050 23.765 10.543 626 HA ALA 77 HA ALA 77 2.665 26.510 9.697 627 1HB ALA 77 1HB ALA 77 0.267 26.667 9.928 628 2HB ALA 77 2HB ALA 77 0.972 27.430 11.354 629 3HB ALA 77 3HB ALA 77 0.305 25.801 11.464 630 H LYS 78 H LYS 78 4.538 24.910 10.685 631 HA LYS 78 HA LYS 78 4.741 24.629 13.532 632 1HB LYS 78 2HB LYS 78 7.144 24.262 12.998 633 2HB LYS 78 1HB LYS 78 6.090 23.387 11.889 634 1HG LYS 78 2HG LYS 78 7.375 24.369 10.280 635 2HG LYS 78 1HG LYS 78 6.340 25.767 10.574 636 1HD LYS 78 2HD LYS 78 8.012 26.438 12.394 637 2HD LYS 78 1HD LYS 78 9.088 25.220 11.708 638 1HE LYS 78 2HE LYS 78 8.593 26.429 9.430 639 2HE LYS 78 1HE LYS 78 8.116 27.786 10.470 640 1HZ LYS 78 1HZ LYS 78 10.494 27.848 9.992 641 2HZ LYS 78 2HZ LYS 78 10.681 26.292 10.647 642 3HZ LYS 78 3HZ LYS 78 10.216 27.587 11.644 Start of MODEL 2 1 1H MET 1 1HT MET 1 -9.905 18.697 -2.395 2 2H MET 1 2HT MET 1 -10.220 18.747 -0.726 3 3H MET 1 3HT MET 1 -9.488 17.376 -1.414 4 HA MET 1 HA MET 1 -8.274 20.090 -1.226 5 1HB MET 1 2HB MET 1 -8.678 18.402 0.784 6 2HB MET 1 1HB MET 1 -7.292 17.572 0.076 7 1HG MET 1 2HG MET 1 -7.202 20.539 0.589 8 2HG MET 1 1HG MET 1 -6.844 19.392 1.880 9 1HE MET 1 1HE MET 1 -4.073 20.415 1.967 10 2HE MET 1 2HE MET 1 -5.146 21.516 1.106 11 3HE MET 1 3HE MET 1 -3.589 21.086 0.404 12 H LYS 2 H LYS 2 -6.603 20.377 -2.653 13 HA LYS 2 HA LYS 2 -5.787 18.084 -4.371 14 1HB LYS 2 2HB LYS 2 -6.616 20.400 -5.162 15 2HB LYS 2 1HB LYS 2 -5.040 21.001 -4.644 16 1HG LYS 2 2HG LYS 2 -5.064 18.560 -6.355 17 2HG LYS 2 1HG LYS 2 -5.463 20.092 -7.133 18 1HD LYS 2 2HD LYS 2 -3.373 21.080 -6.270 19 2HD LYS 2 1HD LYS 2 -2.971 19.550 -5.490 20 1HE LYS 2 2HE LYS 2 -2.525 18.477 -7.517 21 2HE LYS 2 1HE LYS 2 -3.556 19.585 -8.443 22 1HZ LYS 2 1HZ LYS 2 -1.069 20.395 -7.035 23 2HZ LYS 2 2HZ LYS 2 -2.026 21.366 -8.050 24 3HZ LYS 2 3HZ LYS 2 -1.152 20.058 -8.695 25 H LYS 3 H LYS 3 -3.648 17.359 -4.428 26 HA LYS 3 HA LYS 3 -1.892 18.207 -2.196 27 1HB LYS 3 2HB LYS 3 -2.273 15.886 -4.002 28 2HB LYS 3 1HB LYS 3 -0.605 16.199 -3.519 29 1HG LYS 3 2HG LYS 3 -1.581 14.708 -1.883 30 2HG LYS 3 1HG LYS 3 -1.398 16.292 -1.128 31 1HD LYS 3 2HD LYS 3 -3.752 16.804 -1.555 32 2HD LYS 3 1HD LYS 3 -3.955 15.266 -2.396 33 1HE LYS 3 2HE LYS 3 -4.764 14.841 -0.194 34 2HE LYS 3 1HE LYS 3 -3.112 14.189 -0.175 35 1HZ LYS 3 1HZ LYS 3 -2.320 16.319 0.656 36 2HZ LYS 3 2HZ LYS 3 -3.477 15.661 1.713 37 3HZ LYS 3 3HZ LYS 3 -3.903 16.929 0.665 38 H ASP 4 H ASP 4 -0.085 19.458 -2.508 39 HA ASP 4 HA ASP 4 0.555 20.345 -5.279 40 1HB ASP 4 2HB ASP 4 0.764 21.373 -2.502 41 2HB ASP 4 1HB ASP 4 2.074 21.846 -3.585 42 HA PRO 5 HA PRO 5 4.413 18.220 -5.390 43 1HB PRO 5 2HB PRO 5 6.211 20.085 -6.276 44 2HB PRO 5 1HB PRO 5 4.974 19.361 -7.323 45 1HG PRO 5 2HG PRO 5 4.998 22.015 -5.980 46 2HG PRO 5 1HG PRO 5 4.414 21.569 -7.591 47 1HD PRO 5 2HD PRO 5 2.771 21.973 -5.452 48 2HD PRO 5 1HD PRO 5 2.374 20.894 -6.807 49 H ASN 6 H ASN 6 4.395 21.274 -3.631 50 HA ASN 6 HA ASN 6 6.903 20.849 -2.214 51 1HB ASN 6 2HB ASN 6 4.498 22.658 -1.955 52 2HB ASN 6 1HB ASN 6 5.795 22.699 -0.760 53 1HD2 ASN 6 1HD2 ASN 6 4.993 23.412 -4.132 54 2HD2 ASN 6 2HD2 ASN 6 6.423 24.257 -4.481 55 H ALA 7 H ALA 7 3.486 20.160 -1.565 56 HA ALA 7 HA ALA 7 3.873 19.331 1.199 57 1HB ALA 7 1HB ALA 7 1.727 20.121 0.443 58 2HB ALA 7 2HB ALA 7 1.537 18.402 0.789 59 3HB ALA 7 3HB ALA 7 1.698 18.953 -0.878 60 HA PRO 8 HA PRO 8 5.101 15.196 0.502 61 1HB PRO 8 2HB PRO 8 3.929 13.859 2.557 62 2HB PRO 8 1HB PRO 8 5.373 14.876 2.703 63 1HG PRO 8 2HG PRO 8 2.636 15.400 3.573 64 2HG PRO 8 1HG PRO 8 4.175 16.092 4.068 65 1HD PRO 8 2HD PRO 8 2.260 17.294 2.380 66 2HD PRO 8 1HD PRO 8 3.872 17.902 2.803 67 H LYS 9 H LYS 9 4.446 13.347 -0.618 68 HA LYS 9 HA LYS 9 1.967 13.308 -1.993 69 1HB LYS 9 2HB LYS 9 4.067 11.230 -1.351 70 2HB LYS 9 1HB LYS 9 2.694 10.869 -2.398 71 1HG LYS 9 2HG LYS 9 3.494 12.147 -4.112 72 2HG LYS 9 1HG LYS 9 4.132 13.383 -3.027 73 1HD LYS 9 2HD LYS 9 6.019 12.310 -4.072 74 2HD LYS 9 1HD LYS 9 5.962 11.755 -2.399 75 1HE LYS 9 2HE LYS 9 6.174 9.695 -3.437 76 2HE LYS 9 1HE LYS 9 4.409 9.854 -3.545 77 1HZ LYS 9 1HZ LYS 9 5.557 9.408 -5.714 78 2HZ LYS 9 2HZ LYS 9 6.267 10.946 -5.585 79 3HZ LYS 9 3HZ LYS 9 4.578 10.793 -5.697 80 H ARG 10 H ARG 10 0.252 11.666 -1.835 81 HA ARG 10 HA ARG 10 -1.012 11.533 0.713 82 1HB ARG 10 2HB ARG 10 -2.506 9.908 -0.450 83 2HB ARG 10 1HB ARG 10 -2.174 11.327 -1.440 84 1HG ARG 10 2HG ARG 10 -0.707 10.153 -2.856 85 2HG ARG 10 1HG ARG 10 -0.457 8.862 -1.680 86 1HD ARG 10 2HD ARG 10 -1.934 8.073 -3.492 87 2HD ARG 10 1HD ARG 10 -2.856 8.185 -1.980 88 HE ARG 10 HE ARG 10 -3.220 10.678 -3.007 89 1HH1 ARG 10 1HH1 ARG 10 -2.612 9.758 -5.744 90 2HH1 ARG 10 2HH1 ARG 10 -4.153 9.219 -6.324 91 1HH2 ARG 10 1HH2 ARG 10 -5.571 9.025 -3.166 92 2HH2 ARG 10 2HH2 ARG 10 -5.828 8.804 -4.864 93 HA PRO 11 HA PRO 11 1.113 8.135 2.563 94 1HB PRO 11 2HB PRO 11 -0.718 7.382 4.443 95 2HB PRO 11 1HB PRO 11 0.261 8.856 4.582 96 1HG PRO 11 2HG PRO 11 -2.579 8.540 3.803 97 2HG PRO 11 1HG PRO 11 -1.788 9.848 4.690 98 1HD PRO 11 2HD PRO 11 -2.502 9.939 2.018 99 2HD PRO 11 1HD PRO 11 -1.295 10.988 2.793 100 HA PRO 12 HA PRO 12 -0.866 4.803 0.214 101 1HB PRO 12 2HB PRO 12 1.201 3.018 0.394 102 2HB PRO 12 1HB PRO 12 1.184 4.358 -0.770 103 1HG PRO 12 2HG PRO 12 2.590 4.139 1.844 104 2HG PRO 12 1HG PRO 12 3.145 4.851 0.321 105 1HD PRO 12 2HD PRO 12 2.237 6.328 2.417 106 2HD PRO 12 1HD PRO 12 2.099 6.848 0.722 107 H SER 13 H SER 13 -0.536 2.120 0.898 108 HA SER 13 HA SER 13 -0.659 1.698 3.782 109 1HB SER 13 2HB SER 13 -3.080 1.243 3.847 110 2HB SER 13 1HB SER 13 -2.773 2.896 3.324 111 HG SER 13 HG SER 13 -3.599 0.653 1.839 112 H ALA 14 H ALA 14 0.814 0.367 1.698 113 HA ALA 14 HA ALA 14 1.392 -1.833 1.152 114 1HB ALA 14 1HB ALA 14 0.765 -3.388 2.686 115 2HB ALA 14 2HB ALA 14 -0.949 -3.147 2.347 116 3HB ALA 14 3HB ALA 14 -0.115 -2.079 3.475 117 H PHE 15 H PHE 15 -2.200 -2.057 1.233 118 HA PHE 15 HA PHE 15 -2.435 -3.385 -1.260 119 1HB PHE 15 2HB PHE 15 -4.192 -3.174 0.481 120 2HB PHE 15 1HB PHE 15 -4.352 -1.459 0.100 121 HD1 PHE 15 1HD PHE 15 -4.075 -4.607 -1.938 122 HD2 PHE 15 2HD PHE 15 -6.269 -1.001 -1.140 123 HE1 PHE 15 1HE PHE 15 -5.641 -5.151 -3.782 124 HE2 PHE 15 2HE PHE 15 -7.836 -1.546 -2.985 125 HZ PHE 15 HZ PHE 15 -7.522 -3.621 -4.308 126 H PHE 16 H PHE 16 -1.902 0.010 -0.571 127 HA PHE 16 HA PHE 16 -2.782 0.988 -3.168 128 1HB PHE 16 2HB PHE 16 -2.423 2.131 -0.788 129 2HB PHE 16 1HB PHE 16 -0.804 2.421 -1.426 130 HD1 PHE 16 1HD PHE 16 -0.622 3.503 -3.768 131 HD2 PHE 16 2HD PHE 16 -4.211 3.531 -1.409 132 HE1 PHE 16 1HE PHE 16 -1.486 5.405 -5.104 133 HE2 PHE 16 2HE PHE 16 -5.076 5.433 -2.745 134 HZ PHE 16 HZ PHE 16 -3.712 6.370 -4.593 135 H LEU 17 H LEU 17 0.285 -0.128 -1.797 136 HA LEU 17 HA LEU 17 2.009 0.788 -3.926 137 1HB LEU 17 2HB LEU 17 2.052 -1.359 -1.807 138 2HB LEU 17 1HB LEU 17 3.325 -1.325 -3.023 139 HG LEU 17 HG LEU 17 3.986 -0.079 -0.991 140 1HD1 LEU 17 1HD1 LEU 17 4.868 1.805 -2.103 141 2HD1 LEU 17 2HD1 LEU 17 3.472 1.936 -3.173 142 3HD1 LEU 17 3HD1 LEU 17 4.629 0.623 -3.389 143 1HD2 LEU 17 1HD2 LEU 17 1.675 0.624 -0.345 144 2HD2 LEU 17 2HD2 LEU 17 1.683 1.770 -1.687 145 3HD2 LEU 17 3HD2 LEU 17 2.818 1.967 -0.354 146 H PHE 18 H PHE 18 1.247 -2.601 -3.306 147 HA PHE 18 HA PHE 18 1.607 -3.880 -5.677 148 1HB PHE 18 2HB PHE 18 0.746 -4.927 -3.658 149 2HB PHE 18 1HB PHE 18 -0.786 -4.074 -3.822 150 HD1 PHE 18 1HD PHE 18 -2.523 -4.920 -5.202 151 HD2 PHE 18 2HD PHE 18 1.407 -6.640 -5.407 152 HE1 PHE 18 1HE PHE 18 -3.410 -6.781 -6.576 153 HE2 PHE 18 2HE PHE 18 0.519 -8.503 -6.785 154 HZ PHE 18 HZ PHE 18 -1.894 -8.577 -7.365 155 H CYS 19 H CYS 19 -1.585 -2.280 -4.998 156 HA CYS 19 HA CYS 19 -2.616 -2.607 -7.635 157 1HB CYS 19 2HB CYS 19 -3.905 -2.040 -5.583 158 2HB CYS 19 1HB CYS 19 -3.147 -0.449 -5.565 159 HG CYS 19 HG CYS 19 -4.357 -0.611 -8.220 160 H SER 20 H SER 20 -0.896 0.146 -6.152 161 HA SER 20 HA SER 20 -0.996 1.950 -8.337 162 1HB SER 20 2HB SER 20 0.927 1.449 -6.072 163 2HB SER 20 1HB SER 20 1.234 2.732 -7.239 164 HG SER 20 HG SER 20 -0.444 3.820 -6.502 165 H GLU 21 H GLU 21 1.181 -0.806 -7.772 166 HA GLU 21 HA GLU 21 2.831 -0.082 -10.113 167 1HB GLU 21 2HB GLU 21 4.156 -2.037 -9.381 168 2HB GLU 21 1HB GLU 21 3.844 -0.936 -8.041 169 1HG GLU 21 2HG GLU 21 2.238 -2.366 -7.080 170 2HG GLU 21 1HG GLU 21 2.009 -3.264 -8.578 171 H HIS 22 H HIS 22 0.191 -2.312 -9.336 172 HA HIS 22 HA HIS 22 0.581 -3.734 -11.925 173 1HB HIS 22 2HB HIS 22 -1.101 -4.176 -9.446 174 2HB HIS 22 1HB HIS 22 -1.244 -5.181 -10.886 175 HD1 HIS 22 1HD HIS 22 1.280 -6.123 -11.721 176 HD2 HIS 22 2HD HIS 22 0.756 -5.186 -7.694 177 HE1 HIS 22 1HE HIS 22 3.110 -7.336 -10.460 178 H ARG 23 H ARG 23 -0.658 -0.880 -11.386 179 HA ARG 23 HA ARG 23 -3.438 -1.244 -12.249 180 1HB ARG 23 2HB ARG 23 -2.755 0.493 -10.647 181 2HB ARG 23 1HB ARG 23 -1.712 1.221 -11.861 182 1HG ARG 23 2HG ARG 23 -3.469 2.112 -13.043 183 2HG ARG 23 1HG ARG 23 -4.553 0.783 -12.630 184 1HD ARG 23 2HD ARG 23 -5.377 2.690 -11.422 185 2HD ARG 23 1HD ARG 23 -4.503 1.718 -10.221 186 HE ARG 23 HE ARG 23 -2.486 3.259 -11.022 187 1HH1 ARG 23 1HH1 ARG 23 -4.581 4.019 -8.799 188 2HH1 ARG 23 2HH1 ARG 23 -4.796 5.695 -9.177 189 1HH2 ARG 23 1HH2 ARG 23 -3.280 5.464 -12.287 190 2HH2 ARG 23 2HH2 ARG 23 -4.060 6.514 -11.151 191 HA PRO 24 HA PRO 24 -1.734 0.622 -16.288 192 1HB PRO 24 2HB PRO 24 0.957 0.611 -16.751 193 2HB PRO 24 1HB PRO 24 0.117 1.963 -15.968 194 1HG PRO 24 2HG PRO 24 1.786 -0.172 -14.773 195 2HG PRO 24 1HG PRO 24 1.600 1.520 -14.294 196 1HD PRO 24 2HD PRO 24 0.403 -0.625 -13.043 197 2HD PRO 24 1HD PRO 24 -0.144 1.058 -12.931 198 H LYS 25 H LYS 25 -0.710 -2.278 -14.803 199 HA LYS 25 HA LYS 25 0.190 -3.625 -17.263 200 1HB LYS 25 2HB LYS 25 1.047 -4.007 -14.897 201 2HB LYS 25 1HB LYS 25 -0.508 -4.760 -14.537 202 1HG LYS 25 2HG LYS 25 -0.144 -6.511 -16.105 203 2HG LYS 25 1HG LYS 25 1.202 -5.658 -16.860 204 1HD LYS 25 2HD LYS 25 2.553 -5.920 -14.845 205 2HD LYS 25 1HD LYS 25 1.198 -6.673 -14.004 206 1HE LYS 25 2HE LYS 25 1.250 -8.592 -15.472 207 2HE LYS 25 1HE LYS 25 2.431 -7.804 -16.539 208 1HZ LYS 25 1HZ LYS 25 3.531 -9.290 -14.968 209 2HZ LYS 25 2HZ LYS 25 2.851 -8.440 -13.664 210 3HZ LYS 25 3HZ LYS 25 3.974 -7.678 -14.685 211 H ILE 26 H ILE 26 -2.671 -3.513 -15.166 212 HA ILE 26 HA ILE 26 -4.127 -5.615 -16.548 213 HB ILE 26 HB ILE 26 -5.022 -3.337 -14.745 214 1HG1 ILE 26 2HG1 ILE 26 -3.336 -4.783 -13.686 215 2HG1 ILE 26 1HG1 ILE 26 -4.914 -5.041 -12.951 216 1HG2 ILE 26 1HG2 ILE 26 -6.405 -5.755 -15.866 217 2HG2 ILE 26 2HG2 ILE 26 -7.023 -4.117 -15.646 218 3HG2 ILE 26 3HG2 ILE 26 -6.843 -5.185 -14.255 219 1HD1 ILE 26 1HD1 ILE 26 -4.526 -7.246 -13.327 220 2HD1 ILE 26 2HD1 ILE 26 -3.236 -6.910 -14.482 221 3HD1 ILE 26 3HD1 ILE 26 -4.919 -6.884 -15.008 222 H LYS 27 H LYS 27 -3.510 -2.269 -17.234 223 HA LYS 27 HA LYS 27 -5.932 -1.797 -18.809 224 1HB LYS 27 2HB LYS 27 -3.283 -0.368 -18.434 225 2HB LYS 27 1HB LYS 27 -4.609 0.284 -19.400 226 1HG LYS 27 2HG LYS 27 -6.089 0.250 -17.455 227 2HG LYS 27 1HG LYS 27 -4.826 -0.501 -16.479 228 1HD LYS 27 2HD LYS 27 -4.372 1.659 -15.886 229 2HD LYS 27 1HD LYS 27 -3.481 1.670 -17.408 230 1HE LYS 27 2HE LYS 27 -5.342 2.673 -18.581 231 2HE LYS 27 1HE LYS 27 -6.404 2.464 -17.174 232 1HZ LYS 27 1HZ LYS 27 -3.857 3.982 -17.071 233 2HZ LYS 27 2HZ LYS 27 -5.085 3.933 -15.898 234 3HZ LYS 27 3HZ LYS 27 -5.353 4.719 -17.380 235 H SER 28 H SER 28 -2.854 -3.296 -19.395 236 HA SER 28 HA SER 28 -2.720 -2.766 -22.259 237 1HB SER 28 2HB SER 28 -1.394 -4.685 -20.332 238 2HB SER 28 1HB SER 28 -1.014 -4.677 -22.052 239 HG SER 28 HG SER 28 0.148 -2.968 -21.722 240 H GLU 29 H GLU 29 -3.649 -5.615 -20.292 241 HA GLU 29 HA GLU 29 -4.640 -7.033 -22.687 242 1HB GLU 29 2HB GLU 29 -4.338 -7.626 -19.741 243 2HB GLU 29 1HB GLU 29 -5.159 -8.747 -20.827 244 1HG GLU 29 2HG GLU 29 -2.394 -7.679 -21.418 245 2HG GLU 29 1HG GLU 29 -2.650 -9.144 -20.470 246 H HIS 30 H HIS 30 -5.964 -4.598 -20.908 247 HA HIS 30 HA HIS 30 -8.724 -5.488 -21.521 248 1HB HIS 30 2HB HIS 30 -7.811 -4.621 -18.756 249 2HB HIS 30 1HB HIS 30 -9.469 -4.989 -19.217 250 HD1 HIS 30 1HD HIS 30 -10.125 -7.462 -19.473 251 HD2 HIS 30 2HD HIS 30 -6.096 -6.912 -18.578 252 HE1 HIS 30 1HE HIS 30 -9.211 -9.745 -18.867 253 HA PRO 31 HA PRO 31 -7.817 -1.027 -22.387 254 1HB PRO 31 2HB PRO 31 -9.279 -0.946 -24.711 255 2HB PRO 31 1HB PRO 31 -7.574 -1.440 -24.653 256 1HG PRO 31 2HG PRO 31 -10.031 -3.138 -24.728 257 2HG PRO 31 1HG PRO 31 -8.507 -3.322 -25.617 258 1HD PRO 31 2HD PRO 31 -9.055 -4.794 -23.429 259 2HD PRO 31 1HD PRO 31 -7.406 -4.246 -23.805 260 H GLY 32 H GLY 32 -9.108 0.082 -20.955 261 1HA GLY 32 2HA GLY 32 -11.210 1.372 -20.753 262 2HA GLY 32 1HA GLY 32 -12.065 -0.038 -21.379 263 H LEU 33 H LEU 33 -10.133 -1.700 -19.571 264 HA LEU 33 HA LEU 33 -11.847 -2.364 -17.480 265 1HB LEU 33 2HB LEU 33 -9.451 -3.184 -18.381 266 2HB LEU 33 1HB LEU 33 -8.914 -2.326 -16.941 267 HG LEU 33 HG LEU 33 -9.335 -4.707 -16.449 268 1HD1 LEU 33 1HD1 LEU 33 -10.403 -4.331 -14.428 269 2HD1 LEU 33 2HD1 LEU 33 -11.609 -3.262 -15.143 270 3HD1 LEU 33 3HD1 LEU 33 -9.964 -2.682 -14.877 271 1HD2 LEU 33 1HD2 LEU 33 -12.274 -4.265 -16.887 272 2HD2 LEU 33 2HD2 LEU 33 -11.371 -5.779 -16.844 273 3HD2 LEU 33 3HD2 LEU 33 -11.257 -4.724 -18.253 274 H SER 34 H SER 34 -12.770 -0.914 -16.124 275 HA SER 34 HA SER 34 -11.465 1.495 -15.154 276 1HB SER 34 2HB SER 34 -13.583 1.345 -13.613 277 2HB SER 34 1HB SER 34 -13.810 1.576 -15.342 278 HG SER 34 HG SER 34 -14.507 -0.512 -13.743 279 H ILE 35 H ILE 35 -12.007 1.578 -12.450 280 HA ILE 35 HA ILE 35 -9.919 -0.195 -11.349 281 HB ILE 35 HB ILE 35 -11.605 2.022 -10.136 282 1HG1 ILE 35 2HG1 ILE 35 -10.227 2.806 -12.030 283 2HG1 ILE 35 1HG1 ILE 35 -9.602 3.429 -10.505 284 1HG2 ILE 35 1HG2 ILE 35 -9.248 0.428 -9.151 285 2HG2 ILE 35 2HG2 ILE 35 -10.740 0.840 -8.304 286 3HG2 ILE 35 3HG2 ILE 35 -9.512 2.076 -8.580 287 1HD1 ILE 35 1HD1 ILE 35 -8.519 1.068 -12.074 288 2HD1 ILE 35 2HD1 ILE 35 -7.948 1.543 -10.474 289 3HD1 ILE 35 3HD1 ILE 35 -7.733 2.631 -11.845 290 H GLY 36 H GLY 36 -12.999 -0.908 -12.007 291 1HA GLY 36 2HA GLY 36 -13.830 -1.889 -9.352 292 2HA GLY 36 1HA GLY 36 -14.772 -2.004 -10.840 293 H ASP 37 H ASP 37 -13.538 -3.419 -12.583 294 HA ASP 37 HA ASP 37 -13.400 -6.106 -11.589 295 1HB ASP 37 2HB ASP 37 -12.502 -4.745 -14.143 296 2HB ASP 37 1HB ASP 37 -12.453 -6.494 -13.928 297 H THR 38 H THR 38 -10.835 -3.810 -12.567 298 HA THR 38 HA THR 38 -8.598 -5.527 -12.135 299 HB THR 38 HB THR 38 -9.071 -2.533 -12.102 300 HG1 THR 38 1HG THR 38 -7.955 -2.719 -14.056 301 1HG2 THR 38 1HG2 THR 38 -6.645 -2.176 -12.078 302 2HG2 THR 38 2HG2 THR 38 -6.369 -3.910 -11.912 303 3HG2 THR 38 3HG2 THR 38 -7.132 -3.010 -10.602 304 H ALA 39 H ALA 39 -10.453 -3.480 -9.901 305 HA ALA 39 HA ALA 39 -8.708 -3.753 -7.617 306 1HB ALA 39 1HB ALA 39 -10.888 -3.114 -6.426 307 2HB ALA 39 2HB ALA 39 -11.652 -3.154 -8.014 308 3HB ALA 39 3HB ALA 39 -10.353 -2.006 -7.690 309 H LYS 40 H LYS 40 -11.242 -5.759 -9.007 310 HA LYS 40 HA LYS 40 -11.499 -7.526 -6.689 311 1HB LYS 40 2HB LYS 40 -12.447 -7.446 -9.550 312 2HB LYS 40 1HB LYS 40 -12.707 -8.888 -8.569 313 1HG LYS 40 2HG LYS 40 -13.921 -7.598 -6.902 314 2HG LYS 40 1HG LYS 40 -13.564 -6.097 -7.758 315 1HD LYS 40 2HD LYS 40 -14.999 -6.621 -9.542 316 2HD LYS 40 1HD LYS 40 -14.991 -8.344 -9.164 317 1HE LYS 40 2HE LYS 40 -16.185 -7.767 -6.990 318 2HE LYS 40 1HE LYS 40 -16.399 -6.131 -7.643 319 1HZ LYS 40 1HZ LYS 40 -17.217 -8.649 -8.995 320 2HZ LYS 40 2HZ LYS 40 -17.417 -7.079 -9.614 321 3HZ LYS 40 3HZ LYS 40 -18.272 -7.566 -8.228 322 H LYS 41 H LYS 41 -9.551 -7.395 -9.622 323 HA LYS 41 HA LYS 41 -8.579 -10.170 -9.306 324 1HB LYS 41 2HB LYS 41 -9.081 -8.754 -11.461 325 2HB LYS 41 1HB LYS 41 -7.475 -8.084 -11.173 326 1HG LYS 41 2HG LYS 41 -6.432 -10.205 -11.389 327 2HG LYS 41 1HG LYS 41 -7.965 -11.064 -11.228 328 1HD LYS 41 2HD LYS 41 -7.617 -11.151 -13.536 329 2HD LYS 41 1HD LYS 41 -8.631 -9.716 -13.380 330 1HE LYS 41 2HE LYS 41 -6.443 -8.372 -13.219 331 2HE LYS 41 1HE LYS 41 -5.636 -9.843 -13.801 332 1HZ LYS 41 1HZ LYS 41 -7.947 -8.516 -15.120 333 2HZ LYS 41 2HZ LYS 41 -7.150 -9.911 -15.672 334 3HZ LYS 41 3HZ LYS 41 -6.338 -8.419 -15.647 335 H LEU 42 H LEU 42 -7.585 -6.907 -8.503 336 HA LEU 42 HA LEU 42 -4.765 -7.549 -8.057 337 1HB LEU 42 2HB LEU 42 -6.608 -5.257 -7.952 338 2HB LEU 42 1HB LEU 42 -5.356 -5.203 -6.714 339 HG LEU 42 HG LEU 42 -3.633 -5.549 -8.460 340 1HD1 LEU 42 1HD1 LEU 42 -5.993 -6.115 -10.071 341 2HD1 LEU 42 2HD1 LEU 42 -4.299 -6.437 -10.428 342 3HD1 LEU 42 3HD1 LEU 42 -4.998 -4.868 -10.823 343 1HD2 LEU 42 1HD2 LEU 42 -4.495 -3.277 -7.716 344 2HD2 LEU 42 2HD2 LEU 42 -5.463 -3.254 -9.190 345 3HD2 LEU 42 3HD2 LEU 42 -3.702 -3.305 -9.291 346 H GLY 43 H GLY 43 -7.315 -6.422 -5.795 347 1HA GLY 43 2HA GLY 43 -6.011 -7.072 -3.393 348 2HA GLY 43 1HA GLY 43 -7.769 -7.046 -3.568 349 H GLU 44 H GLU 44 -7.656 -9.178 -5.658 350 HA GLU 44 HA GLU 44 -7.843 -11.497 -3.914 351 1HB GLU 44 2HB GLU 44 -9.183 -11.087 -5.996 352 2HB GLU 44 1HB GLU 44 -7.707 -11.270 -6.944 353 1HG GLU 44 2HG GLU 44 -7.427 -13.563 -6.025 354 2HG GLU 44 1HG GLU 44 -8.950 -13.378 -5.155 355 H MET 45 H MET 45 -5.478 -10.219 -6.232 356 HA MET 45 HA MET 45 -3.657 -12.500 -5.954 357 1HB MET 45 2HB MET 45 -3.664 -9.801 -7.308 358 2HB MET 45 1HB MET 45 -2.195 -10.776 -7.261 359 1HG MET 45 2HG MET 45 -3.253 -12.584 -8.429 360 2HG MET 45 1HG MET 45 -4.847 -11.849 -8.253 361 1HE MET 45 1HE MET 45 -1.474 -11.918 -9.680 362 2HE MET 45 2HE MET 45 -1.283 -10.185 -9.417 363 3HE MET 45 3HE MET 45 -1.430 -10.810 -11.059 364 H TRP 46 H TRP 46 -3.834 -9.128 -4.781 365 HA TRP 46 HA TRP 46 -1.339 -8.890 -3.469 366 1HB TRP 46 2HB TRP 46 -2.927 -7.066 -3.751 367 2HB TRP 46 1HB TRP 46 -4.114 -7.874 -2.736 368 HD1 TRP 46 HD TRP 46 -4.180 -6.815 -0.420 369 HE1 TRP 46 1HE TRP 46 -2.456 -5.784 1.196 370 HE3 TRP 46 3HE TRP 46 0.034 -7.312 -3.225 371 HZ2 TRP 46 2HZ TRP 46 0.357 -5.244 1.277 372 HZ3 TRP 46 3HZ TRP 46 2.227 -6.538 -2.366 373 HH2 TRP 46 HH TRP 46 2.390 -5.508 -0.123 374 H SER 47 H SER 47 -4.413 -10.206 -2.165 375 HA SER 47 HA SER 47 -3.372 -10.947 0.408 376 1HB SER 47 2HB SER 47 -5.787 -10.679 -0.393 377 2HB SER 47 1HB SER 47 -5.619 -12.266 -1.138 378 HG SER 47 HG SER 47 -5.226 -13.138 0.882 379 H GLU 48 H GLU 48 -2.714 -12.262 -2.692 380 HA GLU 48 HA GLU 48 -2.077 -14.951 -1.606 381 1HB GLU 48 2HB GLU 48 -2.672 -13.722 -4.284 382 2HB GLU 48 1HB GLU 48 -1.751 -15.224 -4.214 383 1HG GLU 48 2HG GLU 48 -4.353 -14.906 -2.719 384 2HG GLU 48 1HG GLU 48 -4.316 -15.429 -4.403 385 H GLN 49 H GLN 49 -0.596 -11.933 -2.482 386 HA GLN 49 HA GLN 49 1.908 -12.829 -3.511 387 1HB GLN 49 2HB GLN 49 1.164 -10.437 -1.784 388 2HB GLN 49 1HB GLN 49 2.662 -10.582 -2.697 389 1HG GLN 49 2HG GLN 49 -0.125 -10.592 -3.885 390 2HG GLN 49 1HG GLN 49 0.995 -9.235 -3.922 391 1HE2 GLN 49 1HE2 GLN 49 -0.092 -10.735 -6.259 392 2HE2 GLN 49 2HE2 GLN 49 1.254 -11.363 -7.076 393 H SER 50 H SER 50 3.787 -13.466 -2.446 394 HA SER 50 HA SER 50 3.487 -14.287 0.388 395 1HB SER 50 2HB SER 50 5.443 -15.679 -0.145 396 2HB SER 50 1HB SER 50 4.236 -15.856 -1.415 397 HG SER 50 HG SER 50 6.099 -15.458 -2.477 398 H ALA 51 H ALA 51 6.783 -13.861 -0.220 399 HA ALA 51 HA ALA 51 6.747 -11.244 1.217 400 1HB ALA 51 1HB ALA 51 9.176 -12.016 1.667 401 2HB ALA 51 2HB ALA 51 8.674 -13.563 0.984 402 3HB ALA 51 3HB ALA 51 7.885 -12.941 2.434 403 H LYS 52 H LYS 52 7.395 -12.598 -1.880 404 HA LYS 52 HA LYS 52 9.571 -10.853 -2.688 405 1HB LYS 52 2HB LYS 52 8.558 -13.132 -3.624 406 2HB LYS 52 1HB LYS 52 7.589 -12.030 -4.603 407 1HG LYS 52 2HG LYS 52 9.444 -11.164 -5.714 408 2HG LYS 52 1HG LYS 52 10.552 -11.597 -4.410 409 1HD LYS 52 2HD LYS 52 11.020 -13.163 -6.129 410 2HD LYS 52 1HD LYS 52 9.999 -14.045 -4.992 411 1HE LYS 52 2HE LYS 52 9.014 -14.525 -7.096 412 2HE LYS 52 1HE LYS 52 8.022 -13.184 -6.486 413 1HZ LYS 52 1HZ LYS 52 8.821 -12.770 -8.757 414 2HZ LYS 52 2HZ LYS 52 10.426 -12.883 -8.210 415 3HZ LYS 52 3HZ LYS 52 9.423 -11.627 -7.658 416 H ASP 53 H ASP 53 6.027 -10.792 -3.176 417 HA ASP 53 HA ASP 53 6.274 -7.913 -3.996 418 1HB ASP 53 2HB ASP 53 4.816 -10.267 -5.036 419 2HB ASP 53 1HB ASP 53 3.868 -8.783 -4.955 420 H LYS 54 H LYS 54 6.165 -8.164 -1.363 421 HA LYS 54 HA LYS 54 3.606 -7.033 -0.597 422 1HB LYS 54 2HB LYS 54 3.633 -9.737 -0.801 423 2HB LYS 54 1HB LYS 54 4.145 -9.542 0.871 424 1HG LYS 54 2HG LYS 54 2.143 -7.889 1.063 425 2HG LYS 54 1HG LYS 54 1.584 -8.622 -0.436 426 1HD LYS 54 2HD LYS 54 0.547 -9.764 1.441 427 2HD LYS 54 1HD LYS 54 1.688 -10.854 0.655 428 1HE LYS 54 2HE LYS 54 3.181 -10.797 2.432 429 2HE LYS 54 1HE LYS 54 2.696 -9.159 2.915 430 1HZ LYS 54 1HZ LYS 54 0.483 -10.112 3.478 431 2HZ LYS 54 2HZ LYS 54 1.743 -10.671 4.471 432 3HZ LYS 54 3HZ LYS 54 1.130 -11.661 3.234 433 H GLN 55 H GLN 55 6.720 -8.408 0.402 434 HA GLN 55 HA GLN 55 6.666 -7.324 3.097 435 1HB GLN 55 2HB GLN 55 8.569 -8.692 1.258 436 2HB GLN 55 1HB GLN 55 9.267 -7.803 2.610 437 1HG GLN 55 2HG GLN 55 7.039 -9.833 2.915 438 2HG GLN 55 1HG GLN 55 8.748 -10.223 3.117 439 1HE2 GLN 55 1HE2 GLN 55 5.982 -9.042 4.755 440 2HE2 GLN 55 2HE2 GLN 55 6.766 -8.466 6.147 441 HA PRO 56 HA PRO 56 9.510 -3.942 1.297 442 1HB PRO 56 2HB PRO 56 9.698 -3.645 -1.412 443 2HB PRO 56 1HB PRO 56 10.779 -4.693 -0.474 444 1HG PRO 56 2HG PRO 56 8.438 -5.406 -2.154 445 2HG PRO 56 1HG PRO 56 9.963 -6.271 -1.912 446 1HD PRO 56 2HD PRO 56 7.593 -6.938 -0.712 447 2HD PRO 56 1HD PRO 56 9.193 -7.363 -0.072 448 H TYR 57 H TYR 57 6.360 -4.670 0.141 449 HA TYR 57 HA TYR 57 5.800 -1.927 -0.815 450 1HB TYR 57 2HB TYR 57 4.275 -4.529 -0.608 451 2HB TYR 57 1HB TYR 57 3.495 -3.030 -1.117 452 HD1 TYR 57 1HD TYR 57 5.378 -1.662 -2.780 453 HD2 TYR 57 2HD TYR 57 4.689 -5.892 -2.457 454 HE1 TYR 57 1HE TYR 57 6.270 -1.982 -5.071 455 HE2 TYR 57 2HE TYR 57 5.581 -6.208 -4.750 456 HH TYR 57 HH TYR 57 7.270 -4.834 -6.271 457 H GLU 58 H GLU 58 5.016 -4.022 1.960 458 HA GLU 58 HA GLU 58 3.174 -2.087 3.148 459 1HB GLU 58 2HB GLU 58 3.200 -3.715 5.012 460 2HB GLU 58 1HB GLU 58 3.002 -4.532 3.464 461 1HG GLU 58 2HG GLU 58 4.741 -5.834 4.095 462 2HG GLU 58 1HG GLU 58 5.756 -4.434 3.760 463 H GLN 59 H GLN 59 6.620 -2.710 3.281 464 HA GLN 59 HA GLN 59 7.122 -1.235 5.749 465 1HB GLN 59 2HB GLN 59 8.751 -2.349 3.462 466 2HB GLN 59 1HB GLN 59 9.512 -1.382 4.727 467 1HG GLN 59 2HG GLN 59 9.050 -2.955 6.393 468 2HG GLN 59 1HG GLN 59 7.721 -3.674 5.483 469 1HE2 GLN 59 1HE2 GLN 59 11.152 -3.004 4.575 470 2HE2 GLN 59 2HE2 GLN 59 11.491 -4.600 4.106 471 H LYS 60 H LYS 60 8.286 -0.517 2.438 472 HA LYS 60 HA LYS 60 8.938 2.173 2.750 473 1HB LYS 60 2HB LYS 60 9.328 0.706 0.771 474 2HB LYS 60 1HB LYS 60 7.623 0.868 0.348 475 1HG LYS 60 2HG LYS 60 8.104 3.439 0.479 476 2HG LYS 60 1HG LYS 60 9.788 2.951 0.288 477 1HD LYS 60 2HD LYS 60 9.033 1.588 -1.730 478 2HD LYS 60 1HD LYS 60 7.487 2.427 -1.603 479 1HE LYS 60 2HE LYS 60 8.640 3.819 -3.097 480 2HE LYS 60 1HE LYS 60 9.037 4.589 -1.547 481 1HZ LYS 60 1HZ LYS 60 10.652 2.490 -2.899 482 2HZ LYS 60 2HZ LYS 60 11.020 3.217 -1.409 483 3HZ LYS 60 3HZ LYS 60 11.043 4.139 -2.835 484 H ALA 61 H ALA 61 5.704 0.807 2.545 485 HA ALA 61 HA ALA 61 4.442 3.442 2.071 486 1HB ALA 61 1HB ALA 61 3.758 1.087 1.177 487 2HB ALA 61 2HB ALA 61 2.482 2.152 1.765 488 3HB ALA 61 3HB ALA 61 3.079 0.846 2.786 489 H ALA 62 H ALA 62 4.802 1.010 4.627 490 HA ALA 62 HA ALA 62 3.108 2.174 6.606 491 1HB ALA 62 1HB ALA 62 4.792 0.911 8.136 492 2HB ALA 62 2HB ALA 62 5.576 0.434 6.630 493 3HB ALA 62 3HB ALA 62 3.903 -0.032 6.939 494 H LYS 63 H LYS 63 6.625 2.603 6.055 495 HA LYS 63 HA LYS 63 7.052 4.509 8.161 496 1HB LYS 63 2HB LYS 63 8.667 3.090 6.657 497 2HB LYS 63 1HB LYS 63 8.571 4.465 5.558 498 1HG LYS 63 2HG LYS 63 10.350 5.171 6.838 499 2HG LYS 63 1HG LYS 63 9.036 5.811 7.827 500 1HD LYS 63 2HD LYS 63 9.266 4.170 9.444 501 2HD LYS 63 1HD LYS 63 9.921 2.993 8.305 502 1HE LYS 63 2HE LYS 63 11.506 5.479 8.920 503 2HE LYS 63 1HE LYS 63 11.550 4.104 10.043 504 1HZ LYS 63 1HZ LYS 63 12.045 2.650 8.157 505 2HZ LYS 63 2HZ LYS 63 13.242 3.840 8.348 506 3HZ LYS 63 3HZ LYS 63 12.078 3.991 7.119 507 H LEU 64 H LEU 64 6.767 5.050 4.629 508 HA LEU 64 HA LEU 64 6.686 7.865 4.605 509 1HB LEU 64 2HB LEU 64 5.554 5.656 2.912 510 2HB LEU 64 1HB LEU 64 5.142 7.326 2.523 511 HG LEU 64 HG LEU 64 7.986 6.359 2.899 512 1HD1 LEU 64 1HD1 LEU 64 6.548 5.398 0.913 513 2HD1 LEU 64 2HD1 LEU 64 8.174 6.003 0.601 514 3HD1 LEU 64 3HD1 LEU 64 6.773 7.007 0.230 515 1HD2 LEU 64 1HD2 LEU 64 8.376 8.507 1.548 516 2HD2 LEU 64 2HD2 LEU 64 7.841 8.721 3.214 517 3HD2 LEU 64 3HD2 LEU 64 6.691 8.900 1.889 518 H LYS 65 H LYS 65 4.157 5.559 5.423 519 HA LYS 65 HA LYS 65 1.963 7.475 5.406 520 1HB LYS 65 2HB LYS 65 1.722 5.015 5.126 521 2HB LYS 65 1HB LYS 65 2.317 4.781 6.770 522 1HG LYS 65 2HG LYS 65 0.415 5.929 7.703 523 2HG LYS 65 1HG LYS 65 -0.123 6.448 6.106 524 1HD LYS 65 2HD LYS 65 -1.495 4.583 6.607 525 2HD LYS 65 1HD LYS 65 -0.253 3.936 5.534 526 1HE LYS 65 2HE LYS 65 -0.195 2.356 7.258 527 2HE LYS 65 1HE LYS 65 1.019 3.510 7.846 528 1HZ LYS 65 1HZ LYS 65 -1.880 3.609 8.492 529 2HZ LYS 65 2HZ LYS 65 -0.685 4.664 9.080 530 3HZ LYS 65 3HZ LYS 65 -0.678 3.027 9.535 531 H GLU 66 H GLU 66 3.796 5.833 7.996 532 HA GLU 66 HA GLU 66 2.704 7.299 10.196 533 1HB GLU 66 2HB GLU 66 4.028 5.153 10.227 534 2HB GLU 66 1HB GLU 66 5.479 6.104 9.904 535 1HG GLU 66 2HG GLU 66 4.999 7.441 11.968 536 2HG GLU 66 1HG GLU 66 3.657 6.348 12.315 537 H LYS 67 H LYS 67 5.383 8.004 7.999 538 HA LYS 67 HA LYS 67 6.392 10.278 9.533 539 1HB LYS 67 2HB LYS 67 6.876 8.928 6.910 540 2HB LYS 67 1HB LYS 67 7.464 10.581 7.096 541 1HG LYS 67 2HG LYS 67 8.024 8.454 9.166 542 2HG LYS 67 1HG LYS 67 9.079 8.695 7.773 543 1HD LYS 67 2HD LYS 67 9.110 11.184 8.470 544 2HD LYS 67 1HD LYS 67 8.466 10.621 10.012 545 1HE LYS 67 2HE LYS 67 10.405 9.359 10.503 546 2HE LYS 67 1HE LYS 67 10.939 9.363 8.810 547 1HZ LYS 67 1HZ LYS 67 12.143 11.016 10.134 548 2HZ LYS 67 2HZ LYS 67 10.675 11.774 10.532 549 3HZ LYS 67 3HZ LYS 67 11.213 11.752 8.921 550 H TYR 68 H TYR 68 3.859 9.805 7.192 551 HA TYR 68 HA TYR 68 3.708 12.477 6.089 552 1HB TYR 68 2HB TYR 68 2.699 10.336 5.217 553 2HB TYR 68 1HB TYR 68 1.538 10.398 6.534 554 HD1 TYR 68 1HD TYR 68 -0.533 11.319 6.055 555 HD2 TYR 68 2HD TYR 68 2.910 12.680 3.878 556 HE1 TYR 68 1HE TYR 68 -1.984 12.787 4.682 557 HE2 TYR 68 2HE TYR 68 1.459 14.152 2.509 558 HH TYR 68 HH TYR 68 -1.477 15.096 3.300 559 H GLU 69 H GLU 69 2.367 10.895 8.917 560 HA GLU 69 HA GLU 69 0.471 12.885 9.720 561 1HB GLU 69 2HB GLU 69 2.101 10.848 11.273 562 2HB GLU 69 1HB GLU 69 0.728 11.729 11.942 563 1HG GLU 69 2HG GLU 69 -0.476 10.821 9.750 564 2HG GLU 69 1HG GLU 69 0.769 9.576 9.867 565 H LYS 70 H LYS 70 3.977 12.632 10.212 566 HA LYS 70 HA LYS 70 3.971 14.968 12.044 567 1HB LYS 70 2HB LYS 70 6.144 13.149 10.941 568 2HB LYS 70 1HB LYS 70 6.399 14.392 12.167 569 1HG LYS 70 2HG LYS 70 4.534 13.192 13.495 570 2HG LYS 70 1HG LYS 70 4.799 11.844 12.389 571 1HD LYS 70 2HD LYS 70 7.195 13.081 13.677 572 2HD LYS 70 1HD LYS 70 6.165 12.048 14.670 573 1HE LYS 70 2HE LYS 70 6.325 10.336 12.734 574 2HE LYS 70 1HE LYS 70 7.696 11.314 12.170 575 1HZ LYS 70 1HZ LYS 70 8.675 11.152 14.376 576 2HZ LYS 70 2HZ LYS 70 8.434 9.603 13.720 577 3HZ LYS 70 3HZ LYS 70 7.376 10.199 14.908 578 H ASP 71 H ASP 71 4.916 13.971 8.798 579 HA ASP 71 HA ASP 71 6.342 16.323 7.979 580 1HB ASP 71 2HB ASP 71 5.023 13.952 6.804 581 2HB ASP 71 1HB ASP 71 5.111 15.330 5.723 582 H ILE 72 H ILE 72 2.985 15.344 7.293 583 HA ILE 72 HA ILE 72 2.026 17.719 6.127 584 HB ILE 72 HB ILE 72 0.818 15.511 7.805 585 1HG1 ILE 72 2HG1 ILE 72 1.664 14.976 5.562 586 2HG1 ILE 72 1HG1 ILE 72 -0.086 14.809 5.642 587 1HG2 ILE 72 1HG2 ILE 72 -0.580 17.918 6.638 588 2HG2 ILE 72 2HG2 ILE 72 -0.792 17.180 8.226 589 3HG2 ILE 72 3HG2 ILE 72 -1.419 16.373 6.788 590 1HD1 ILE 72 1HD1 ILE 72 0.294 15.973 3.611 591 2HD1 ILE 72 2HD1 ILE 72 1.524 17.005 4.339 592 3HD1 ILE 72 3HD1 ILE 72 -0.175 17.234 4.750 593 H ALA 73 H ALA 73 2.167 16.866 9.597 594 HA ALA 73 HA ALA 73 0.841 19.174 10.632 595 1HB ALA 73 1HB ALA 73 1.322 17.201 11.969 596 2HB ALA 73 2HB ALA 73 2.163 18.568 12.699 597 3HB ALA 73 3HB ALA 73 3.056 17.404 11.719 598 H ALA 74 H ALA 74 4.365 18.570 10.425 599 HA ALA 74 HA ALA 74 5.209 21.203 11.113 600 1HB ALA 74 1HB ALA 74 6.483 19.072 9.366 601 2HB ALA 74 2HB ALA 74 6.653 19.221 11.115 602 3HB ALA 74 3HB ALA 74 7.342 20.449 10.053 603 H TYR 75 H TYR 75 4.421 19.762 7.961 604 HA TYR 75 HA TYR 75 5.176 22.162 6.456 605 1HB TYR 75 2HB TYR 75 4.909 19.498 5.922 606 2HB TYR 75 1HB TYR 75 3.393 20.115 5.266 607 HD1 TYR 75 1HD TYR 75 3.348 21.184 3.167 608 HD2 TYR 75 2HD TYR 75 7.086 20.706 5.230 609 HE1 TYR 75 1HE TYR 75 4.556 22.035 1.175 610 HE2 TYR 75 2HE TYR 75 8.294 21.557 3.238 611 HH TYR 75 HH TYR 75 7.256 23.278 1.058 612 H ARG 76 H ARG 76 2.403 21.194 8.249 613 HA ARG 76 HA ARG 76 0.263 22.321 6.738 614 1HB ARG 76 2HB ARG 76 0.042 20.877 8.739 615 2HB ARG 76 1HB ARG 76 0.684 22.172 9.745 616 1HG ARG 76 2HG ARG 76 -1.215 23.541 9.389 617 2HG ARG 76 1HG ARG 76 -1.743 22.589 8.001 618 1HD ARG 76 2HD ARG 76 -1.557 21.371 10.766 619 2HD ARG 76 1HD ARG 76 -3.026 22.189 10.198 620 HE ARG 76 HE ARG 76 -1.984 20.268 8.265 621 1HH1 ARG 76 1HH2 ARG 76 -4.795 21.197 9.595 622 2HH1 ARG 76 2HH2 ARG 76 -5.403 19.621 9.978 623 1HH2 ARG 76 1HH1 ARG 76 -2.380 18.025 9.396 624 2HH2 ARG 76 2HH1 ARG 76 -4.035 17.825 9.864 625 H ALA 77 H ALA 77 1.668 23.871 9.650 626 HA ALA 77 HA ALA 77 0.799 26.513 8.793 627 1HB ALA 77 1HB ALA 77 1.958 27.180 10.892 628 2HB ALA 77 2HB ALA 77 2.631 25.555 11.012 629 3HB ALA 77 3HB ALA 77 0.890 25.800 11.143 630 H LYS 78 H LYS 78 3.715 24.642 8.441 631 HA LYS 78 HA LYS 78 5.332 27.015 7.682 632 1HB LYS 78 2HB LYS 78 6.030 24.982 9.147 633 2HB LYS 78 1HB LYS 78 6.162 24.113 7.617 634 1HG LYS 78 2HG LYS 78 7.813 25.650 6.791 635 2HG LYS 78 1HG LYS 78 7.545 26.755 8.139 636 1HD LYS 78 2HD LYS 78 8.433 25.127 9.715 637 2HD LYS 78 1HD LYS 78 8.584 23.923 8.435 638 1HE LYS 78 2HE LYS 78 10.316 25.172 7.334 639 2HE LYS 78 1HE LYS 78 10.019 26.596 8.352 640 1HZ LYS 78 1HZ LYS 78 10.900 23.927 9.323 641 2HZ LYS 78 2HZ LYS 78 10.590 25.282 10.300 642 3HZ LYS 78 3HZ LYS 78 11.885 25.302 9.200 Start of MODEL 3 1 1H MET 1 1HT MET 1 -9.240 17.917 3.036 2 2H MET 1 2HT MET 1 -9.435 18.852 1.631 3 3H MET 1 3HT MET 1 -7.972 18.906 2.494 4 HA MET 1 HA MET 1 -7.449 16.650 1.900 5 1HB MET 1 2HB MET 1 -9.948 16.106 2.103 6 2HB MET 1 1HB MET 1 -10.100 16.671 0.439 7 1HG MET 1 2HG MET 1 -8.344 15.024 -0.234 8 2HG MET 1 1HG MET 1 -8.336 14.408 1.418 9 1HE MET 1 1HE MET 1 -9.573 12.037 1.649 10 2HE MET 1 2HE MET 1 -8.539 12.274 0.243 11 3HE MET 1 3HE MET 1 -10.091 11.459 0.059 12 H LYS 2 H LYS 2 -6.789 19.218 0.896 13 HA LYS 2 HA LYS 2 -7.074 19.059 -2.061 14 1HB LYS 2 2HB LYS 2 -6.006 21.121 -0.110 15 2HB LYS 2 1HB LYS 2 -5.996 21.345 -1.861 16 1HG LYS 2 2HG LYS 2 -8.374 21.303 -1.984 17 2HG LYS 2 1HG LYS 2 -8.521 20.668 -0.345 18 1HD LYS 2 2HD LYS 2 -7.474 22.802 0.493 19 2HD LYS 2 1HD LYS 2 -7.581 23.433 -1.151 20 1HE LYS 2 2HE LYS 2 -9.961 23.391 -1.132 21 2HE LYS 2 1HE LYS 2 -10.008 22.338 0.296 22 1HZ LYS 2 1HZ LYS 2 -8.885 25.090 0.223 23 2HZ LYS 2 2HZ LYS 2 -8.944 24.076 1.585 24 3HZ LYS 2 3HZ LYS 2 -10.382 24.665 0.897 25 H LYS 3 H LYS 3 -5.412 18.293 -3.308 26 HA LYS 3 HA LYS 3 -2.804 17.682 -1.992 27 1HB LYS 3 2HB LYS 3 -4.427 16.102 -3.387 28 2HB LYS 3 1HB LYS 3 -3.581 16.822 -4.757 29 1HG LYS 3 2HG LYS 3 -1.416 16.157 -3.780 30 2HG LYS 3 1HG LYS 3 -2.257 15.438 -2.405 31 1HD LYS 3 2HD LYS 3 -1.865 13.606 -3.841 32 2HD LYS 3 1HD LYS 3 -3.540 14.049 -4.173 33 1HE LYS 3 2HE LYS 3 -2.697 13.914 -6.349 34 2HE LYS 3 1HE LYS 3 -2.387 15.626 -5.997 35 1HZ LYS 3 1HZ LYS 3 -0.388 14.445 -6.795 36 2HZ LYS 3 2HZ LYS 3 -0.476 13.418 -5.444 37 3HZ LYS 3 3HZ LYS 3 -0.191 15.080 -5.235 38 H ASP 4 H ASP 4 -1.558 19.555 -2.159 39 HA ASP 4 HA ASP 4 -1.483 21.046 -4.729 40 1HB ASP 4 2HB ASP 4 -0.860 21.486 -1.865 41 2HB ASP 4 1HB ASP 4 0.226 22.296 -2.995 42 HA PRO 5 HA PRO 5 2.432 19.444 -5.963 43 1HB PRO 5 2HB PRO 5 3.918 21.644 -6.635 44 2HB PRO 5 1HB PRO 5 2.567 21.052 -7.623 45 1HG PRO 5 2HG PRO 5 2.647 23.310 -5.684 46 2HG PRO 5 1HG PRO 5 1.827 23.193 -7.249 47 1HD PRO 5 2HD PRO 5 0.545 22.912 -4.864 48 2HD PRO 5 1HD PRO 5 0.005 22.125 -6.364 49 H ASN 6 H ASN 6 2.545 22.020 -3.556 50 HA ASN 6 HA ASN 6 5.269 21.386 -2.658 51 1HB ASN 6 2HB ASN 6 3.009 23.205 -1.834 52 2HB ASN 6 1HB ASN 6 4.418 23.010 -0.790 53 1HD2 ASN 6 1HD2 ASN 6 3.272 24.430 -3.781 54 2HD2 ASN 6 2HD2 ASN 6 4.725 25.203 -4.197 55 H ALA 7 H ALA 7 1.965 20.571 -1.755 56 HA ALA 7 HA ALA 7 2.493 19.477 0.860 57 1HB ALA 7 1HB ALA 7 0.274 18.365 0.423 58 2HB ALA 7 2HB ALA 7 0.361 18.958 -1.236 59 3HB ALA 7 3HB ALA 7 0.266 20.099 0.104 60 HA PRO 8 HA PRO 8 4.201 15.604 -0.233 61 1HB PRO 8 2HB PRO 8 3.361 14.017 1.813 62 2HB PRO 8 1HB PRO 8 4.685 15.191 1.914 63 1HG PRO 8 2HG PRO 8 2.013 15.323 3.054 64 2HG PRO 8 1HG PRO 8 3.482 16.212 3.423 65 1HD PRO 8 2HD PRO 8 1.242 17.148 1.947 66 2HD PRO 8 1HD PRO 8 2.751 18.004 2.318 67 H LYS 9 H LYS 9 3.709 13.591 -1.231 68 HA LYS 9 HA LYS 9 1.287 13.355 -2.652 69 1HB LYS 9 2HB LYS 9 3.490 11.457 -1.867 70 2HB LYS 9 1HB LYS 9 2.132 10.901 -2.846 71 1HG LYS 9 2HG LYS 9 2.599 12.588 -4.538 72 2HG LYS 9 1HG LYS 9 3.876 13.282 -3.538 73 1HD LYS 9 2HD LYS 9 3.913 10.403 -4.466 74 2HD LYS 9 1HD LYS 9 4.663 11.710 -5.383 75 1HE LYS 9 2HE LYS 9 6.029 12.293 -3.365 76 2HE LYS 9 1HE LYS 9 5.352 10.872 -2.545 77 1HZ LYS 9 1HZ LYS 9 7.439 10.340 -3.683 78 2HZ LYS 9 2HZ LYS 9 6.763 10.833 -5.162 79 3HZ LYS 9 3HZ LYS 9 6.136 9.481 -4.345 80 H ARG 10 H ARG 10 0.085 11.054 -2.469 81 HA ARG 10 HA ARG 10 -1.506 11.189 -0.024 82 1HB ARG 10 2HB ARG 10 -1.433 9.362 -2.443 83 2HB ARG 10 1HB ARG 10 -2.651 9.233 -1.174 84 1HG ARG 10 2HG ARG 10 -2.957 11.815 -1.620 85 2HG ARG 10 1HG ARG 10 -2.235 11.423 -3.181 86 1HD ARG 10 2HD ARG 10 -4.007 9.994 -3.787 87 2HD ARG 10 1HD ARG 10 -4.534 9.785 -2.105 88 HE ARG 10 HE ARG 10 -4.870 12.443 -2.366 89 1HH1 ARG 10 1HH2 ARG 10 -6.903 10.080 -3.057 90 2HH1 ARG 10 2HH2 ARG 10 -7.656 10.787 -4.448 91 1HH2 ARG 10 1HH1 ARG 10 -5.273 13.279 -4.805 92 2HH2 ARG 10 2HH1 ARG 10 -6.733 12.596 -5.437 93 HA PRO 11 HA PRO 11 0.838 8.152 2.190 94 1HB PRO 11 2HB PRO 11 -0.997 7.437 4.082 95 2HB PRO 11 1HB PRO 11 -0.129 8.984 4.117 96 1HG PRO 11 2HG PRO 11 -2.914 8.398 3.304 97 2HG PRO 11 1HG PRO 11 -2.239 9.838 4.078 98 1HD PRO 11 2HD PRO 11 -2.880 9.613 1.390 99 2HD PRO 11 1HD PRO 11 -1.791 10.828 2.089 100 HA PRO 12 HA PRO 12 -0.859 4.541 0.042 101 1HB PRO 12 2HB PRO 12 1.318 2.919 0.384 102 2HB PRO 12 1HB PRO 12 1.233 4.165 -0.877 103 1HG PRO 12 2HG PRO 12 2.597 4.236 1.768 104 2HG PRO 12 1HG PRO 12 3.135 4.868 0.204 105 1HD PRO 12 2HD PRO 12 2.093 6.439 2.159 106 2HD PRO 12 1HD PRO 12 1.940 6.812 0.428 107 H SER 13 H SER 13 -0.435 1.958 0.884 108 HA SER 13 HA SER 13 -0.518 1.663 3.780 109 1HB SER 13 2HB SER 13 -2.942 1.092 3.861 110 2HB SER 13 1HB SER 13 -2.670 2.764 3.377 111 HG SER 13 HG SER 13 -4.092 1.933 1.920 112 H ALA 14 H ALA 14 0.960 0.302 1.738 113 HA ALA 14 HA ALA 14 1.616 -1.901 1.288 114 1HB ALA 14 1HB ALA 14 0.203 -2.150 3.610 115 2HB ALA 14 2HB ALA 14 0.929 -3.516 2.761 116 3HB ALA 14 3HB ALA 14 -0.779 -3.140 2.530 117 H PHE 15 H PHE 15 -1.976 -2.136 1.283 118 HA PHE 15 HA PHE 15 -2.113 -3.557 -1.183 119 1HB PHE 15 2HB PHE 15 -3.916 -3.405 0.499 120 2HB PHE 15 1HB PHE 15 -4.108 -1.687 0.145 121 HD1 PHE 15 1HD PHE 15 -5.963 -1.205 -1.172 122 HD2 PHE 15 2HD PHE 15 -3.785 -4.837 -1.886 123 HE1 PHE 15 1HE PHE 15 -7.486 -1.747 -3.052 124 HE2 PHE 15 2HE PHE 15 -5.310 -5.382 -3.765 125 HZ PHE 15 HZ PHE 15 -7.160 -3.836 -4.351 126 H PHE 16 H PHE 16 -1.730 -0.128 -0.533 127 HA PHE 16 HA PHE 16 -2.606 0.800 -3.140 128 1HB PHE 16 2HB PHE 16 -2.277 1.987 -0.796 129 2HB PHE 16 1HB PHE 16 -0.640 2.259 -1.394 130 HD1 PHE 16 1HD PHE 16 -4.222 2.968 -1.948 131 HD2 PHE 16 2HD PHE 16 -0.209 3.733 -3.273 132 HE1 PHE 16 1HE PHE 16 -5.038 4.860 -3.329 133 HE2 PHE 16 2HE PHE 16 -1.025 5.624 -4.654 134 HZ PHE 16 HZ PHE 16 -3.439 6.188 -4.681 135 H LEU 17 H LEU 17 0.496 -0.247 -1.791 136 HA LEU 17 HA LEU 17 2.158 0.671 -3.980 137 1HB LEU 17 2HB LEU 17 2.327 -1.403 -1.792 138 2HB LEU 17 1HB LEU 17 3.575 -1.344 -3.032 139 HG LEU 17 HG LEU 17 4.227 -0.013 -1.061 140 1HD1 LEU 17 1HD1 LEU 17 3.538 1.930 -3.262 141 2HD1 LEU 17 2HD1 LEU 17 4.757 0.676 -3.492 142 3HD1 LEU 17 3HD1 LEU 17 4.972 1.893 -2.235 143 1HD2 LEU 17 1HD2 LEU 17 1.881 0.569 -0.382 144 2HD2 LEU 17 2HD2 LEU 17 1.825 1.717 -1.721 145 3HD2 LEU 17 3HD2 LEU 17 2.969 1.957 -0.402 146 H PHE 18 H PHE 18 1.398 -2.677 -3.172 147 HA PHE 18 HA PHE 18 1.814 -4.099 -5.459 148 1HB PHE 18 2HB PHE 18 0.898 -5.068 -3.430 149 2HB PHE 18 1HB PHE 18 -0.614 -4.186 -3.638 150 HD1 PHE 18 1HD PHE 18 -2.382 -5.108 -4.905 151 HD2 PHE 18 2HD PHE 18 1.560 -6.787 -5.218 152 HE1 PHE 18 1HE PHE 18 -3.291 -6.991 -6.238 153 HE2 PHE 18 2HE PHE 18 0.651 -8.671 -6.553 154 HZ PHE 18 HZ PHE 18 -1.776 -8.774 -7.061 155 H CYS 19 H CYS 19 -1.377 -2.448 -4.940 156 HA CYS 19 HA CYS 19 -2.303 -2.905 -7.609 157 1HB CYS 19 2HB CYS 19 -3.669 -2.345 -5.585 158 2HB CYS 19 1HB CYS 19 -3.024 -0.708 -5.650 159 HG CYS 19 HG CYS 19 -5.398 -1.106 -7.002 160 H SER 20 H SER 20 -0.688 -0.083 -6.133 161 HA SER 20 HA SER 20 -0.859 1.750 -8.259 162 1HB SER 20 2HB SER 20 1.113 1.189 -6.071 163 2HB SER 20 1HB SER 20 1.484 2.436 -7.257 164 HG SER 20 HG SER 20 -0.163 3.614 -6.553 165 H GLU 21 H GLU 21 1.291 -1.063 -7.973 166 HA GLU 21 HA GLU 21 2.847 -0.206 -10.337 167 1HB GLU 21 2HB GLU 21 4.181 -2.209 -9.800 168 2HB GLU 21 1HB GLU 21 3.938 -1.211 -8.369 169 1HG GLU 21 2HG GLU 21 2.561 -2.755 -7.356 170 2HG GLU 21 1HG GLU 21 1.925 -3.353 -8.887 171 H HIS 22 H HIS 22 0.133 -2.311 -9.626 172 HA HIS 22 HA HIS 22 0.439 -3.780 -12.184 173 1HB HIS 22 2HB HIS 22 -1.209 -3.949 -9.685 174 2HB HIS 22 1HB HIS 22 -1.785 -4.765 -11.139 175 HD1 HIS 22 1HD HIS 22 0.125 -6.383 -12.306 176 HD2 HIS 22 2HD HIS 22 0.658 -5.421 -8.286 177 HE1 HIS 22 1HE HIS 22 1.761 -8.079 -11.376 178 H ARG 23 H ARG 23 -1.723 -1.425 -10.623 179 HA ARG 23 HA ARG 23 -3.936 -1.250 -12.202 180 1HB ARG 23 2HB ARG 23 -2.748 0.299 -10.336 181 2HB ARG 23 1HB ARG 23 -2.553 1.334 -11.747 182 1HG ARG 23 2HG ARG 23 -4.910 1.366 -12.167 183 2HG ARG 23 1HG ARG 23 -5.198 0.083 -10.992 184 1HD ARG 23 2HD ARG 23 -5.789 2.289 -10.031 185 2HD ARG 23 1HD ARG 23 -4.394 1.603 -9.177 186 HE ARG 23 HE ARG 23 -2.962 3.010 -10.744 187 1HH1 ARG 23 1HH2 ARG 23 -4.133 4.820 -8.743 188 2HH1 ARG 23 2HH2 ARG 23 -4.901 6.034 -9.712 189 1HH2 ARG 23 1HH1 ARG 23 -4.870 4.123 -12.604 190 2HH2 ARG 23 2HH1 ARG 23 -5.317 5.639 -11.898 191 HA PRO 24 HA PRO 24 -1.879 1.278 -15.709 192 1HB PRO 24 2HB PRO 24 0.853 1.280 -15.901 193 2HB PRO 24 1HB PRO 24 -0.056 2.516 -15.008 194 1HG PRO 24 2HG PRO 24 1.392 0.122 -13.985 195 2HG PRO 24 1HG PRO 24 1.302 1.758 -13.315 196 1HD PRO 24 2HD PRO 24 -0.148 -0.312 -12.347 197 2HD PRO 24 1HD PRO 24 -0.704 1.371 -12.284 198 H LYS 25 H LYS 25 -0.567 -1.750 -14.570 199 HA LYS 25 HA LYS 25 0.201 -2.722 -17.240 200 1HB LYS 25 2HB LYS 25 1.245 -3.266 -14.946 201 2HB LYS 25 1HB LYS 25 -0.165 -4.293 -14.679 202 1HG LYS 25 2HG LYS 25 0.401 -5.745 -16.439 203 2HG LYS 25 1HG LYS 25 1.460 -4.558 -17.201 204 1HD LYS 25 2HD LYS 25 2.055 -5.671 -14.458 205 2HD LYS 25 1HD LYS 25 2.596 -6.489 -15.924 206 1HE LYS 25 2HE LYS 25 3.774 -4.422 -16.638 207 2HE LYS 25 1HE LYS 25 3.265 -3.630 -15.133 208 1HZ LYS 25 1HZ LYS 25 4.802 -6.169 -15.293 209 2HZ LYS 25 2HZ LYS 25 4.337 -5.369 -13.869 210 3HZ LYS 25 3HZ LYS 25 5.468 -4.654 -14.918 211 H ILE 26 H ILE 26 -2.460 -3.173 -14.913 212 HA ILE 26 HA ILE 26 -3.830 -5.242 -16.399 213 HB ILE 26 HB ILE 26 -4.853 -3.199 -14.397 214 1HG1 ILE 26 2HG1 ILE 26 -2.956 -4.495 -13.507 215 2HG1 ILE 26 1HG1 ILE 26 -4.455 -4.983 -12.723 216 1HG2 ILE 26 1HG2 ILE 26 -6.335 -5.439 -14.006 217 2HG2 ILE 26 2HG2 ILE 26 -6.048 -5.560 -15.741 218 3HG2 ILE 26 3HG2 ILE 26 -6.829 -4.127 -15.075 219 1HD1 ILE 26 1HD1 ILE 26 -2.995 -6.446 -14.939 220 2HD1 ILE 26 2HD1 ILE 26 -4.611 -6.881 -14.384 221 3HD1 ILE 26 3HD1 ILE 26 -3.238 -6.995 -13.281 222 H LYS 27 H LYS 27 -3.527 -1.834 -16.893 223 HA LYS 27 HA LYS 27 -6.071 -1.492 -18.325 224 1HB LYS 27 2HB LYS 27 -3.638 0.131 -17.632 225 2HB LYS 27 1HB LYS 27 -4.744 0.717 -18.878 226 1HG LYS 27 2HG LYS 27 -6.631 0.343 -17.211 227 2HG LYS 27 1HG LYS 27 -5.383 0.097 -15.989 228 1HD LYS 27 2HD LYS 27 -5.810 2.386 -15.778 229 2HD LYS 27 1HD LYS 27 -4.437 2.374 -16.885 230 1HE LYS 27 2HE LYS 27 -5.765 2.886 -18.750 231 2HE LYS 27 1HE LYS 27 -7.245 2.277 -17.981 232 1HZ LYS 27 1HZ LYS 27 -7.119 4.059 -16.368 233 2HZ LYS 27 2HZ LYS 27 -7.149 4.710 -17.938 234 3HZ LYS 27 3HZ LYS 27 -5.689 4.641 -17.071 235 H SER 28 H SER 28 -2.900 -2.656 -19.103 236 HA SER 28 HA SER 28 -2.913 -1.873 -21.920 237 1HB SER 28 2HB SER 28 -1.309 -3.854 -20.276 238 2HB SER 28 1HB SER 28 -0.941 -3.434 -21.947 239 HG SER 28 HG SER 28 -0.293 -1.494 -21.328 240 H GLU 29 H GLU 29 -3.383 -4.970 -20.170 241 HA GLU 29 HA GLU 29 -4.307 -6.305 -22.641 242 1HB GLU 29 2HB GLU 29 -3.901 -7.142 -19.758 243 2HB GLU 29 1HB GLU 29 -4.449 -8.248 -21.018 244 1HG GLU 29 2HG GLU 29 -2.380 -7.546 -22.343 245 2HG GLU 29 1HG GLU 29 -1.809 -6.780 -20.861 246 H HIS 30 H HIS 30 -5.856 -4.147 -20.843 247 HA HIS 30 HA HIS 30 -8.507 -5.344 -21.313 248 1HB HIS 30 2HB HIS 30 -7.614 -4.487 -18.535 249 2HB HIS 30 1HB HIS 30 -9.221 -5.048 -18.970 250 HD1 HIS 30 1HD HIS 30 -9.554 -7.578 -19.358 251 HD2 HIS 30 2HD HIS 30 -5.635 -6.542 -18.406 252 HE1 HIS 30 1HE HIS 30 -8.351 -9.744 -18.826 253 HA PRO 31 HA PRO 31 -7.990 -0.747 -21.922 254 1HB PRO 31 2HB PRO 31 -9.355 -0.678 -24.310 255 2HB PRO 31 1HB PRO 31 -7.608 -0.977 -24.195 256 1HG PRO 31 2HG PRO 31 -9.844 -2.942 -24.477 257 2HG PRO 31 1HG PRO 31 -8.285 -2.886 -25.319 258 1HD PRO 31 2HD PRO 31 -8.692 -4.558 -23.258 259 2HD PRO 31 1HD PRO 31 -7.123 -3.753 -23.507 260 H GLY 32 H GLY 32 -9.502 0.507 -20.912 261 1HA GLY 32 2HA GLY 32 -11.746 1.400 -20.651 262 2HA GLY 32 1HA GLY 32 -12.390 -0.131 -21.251 263 H LEU 33 H LEU 33 -10.465 -1.649 -19.519 264 HA LEU 33 HA LEU 33 -12.076 -2.293 -17.322 265 1HB LEU 33 2HB LEU 33 -9.914 -3.318 -18.383 266 2HB LEU 33 1HB LEU 33 -9.062 -2.328 -17.206 267 HG LEU 33 HG LEU 33 -9.454 -4.631 -16.375 268 1HD1 LEU 33 1HD1 LEU 33 -10.083 -3.991 -14.209 269 2HD1 LEU 33 2HD1 LEU 33 -11.215 -2.772 -14.793 270 3HD1 LEU 33 3HD1 LEU 33 -9.478 -2.494 -14.915 271 1HD2 LEU 33 1HD2 LEU 33 -12.390 -3.989 -16.189 272 2HD2 LEU 33 2HD2 LEU 33 -11.591 -5.559 -16.102 273 3HD2 LEU 33 3HD2 LEU 33 -11.737 -4.728 -17.651 274 H SER 34 H SER 34 -12.870 -0.583 -16.092 275 HA SER 34 HA SER 34 -11.494 1.737 -15.212 276 1HB SER 34 2HB SER 34 -13.284 1.582 -13.347 277 2HB SER 34 1HB SER 34 -13.857 1.625 -15.012 278 HG SER 34 HG SER 34 -14.436 -0.170 -13.267 279 H ILE 35 H ILE 35 -11.447 1.923 -12.511 280 HA ILE 35 HA ILE 35 -9.188 0.159 -11.763 281 HB ILE 35 HB ILE 35 -10.493 2.526 -10.380 282 1HG1 ILE 35 2HG1 ILE 35 -9.585 3.133 -12.594 283 2HG1 ILE 35 1HG1 ILE 35 -8.598 3.826 -11.309 284 1HG2 ILE 35 1HG2 ILE 35 -8.046 0.874 -9.834 285 2HG2 ILE 35 2HG2 ILE 35 -9.247 1.497 -8.702 286 3HG2 ILE 35 3HG2 ILE 35 -8.049 2.585 -9.403 287 1HD1 ILE 35 1HD1 ILE 35 -7.038 1.870 -11.533 288 2HD1 ILE 35 2HD1 ILE 35 -7.120 2.870 -12.983 289 3HD1 ILE 35 3HD1 ILE 35 -7.981 1.332 -12.922 290 H GLY 36 H GLY 36 -12.285 -0.554 -11.726 291 1HA GLY 36 2HA GLY 36 -12.486 -1.343 -8.865 292 2HA GLY 36 1HA GLY 36 -13.820 -1.346 -10.021 293 H ASP 37 H ASP 37 -12.978 -2.785 -12.107 294 HA ASP 37 HA ASP 37 -13.111 -5.503 -11.242 295 1HB ASP 37 2HB ASP 37 -12.274 -4.154 -13.820 296 2HB ASP 37 1HB ASP 37 -12.462 -5.901 -13.677 297 H THR 38 H THR 38 -10.314 -3.526 -12.302 298 HA THR 38 HA THR 38 -8.418 -5.715 -12.030 299 HB THR 38 HB THR 38 -8.082 -3.823 -13.559 300 HG1 THR 38 1HG THR 38 -6.213 -3.746 -11.432 301 1HG2 THR 38 1HG2 THR 38 -8.330 -1.667 -12.959 302 2HG2 THR 38 2HG2 THR 38 -7.306 -1.869 -11.538 303 3HG2 THR 38 3HG2 THR 38 -9.020 -2.271 -11.453 304 H ALA 39 H ALA 39 -9.719 -3.276 -9.875 305 HA ALA 39 HA ALA 39 -7.656 -3.573 -7.811 306 1HB ALA 39 1HB ALA 39 -8.852 -1.499 -7.950 307 2HB ALA 39 2HB ALA 39 -9.474 -2.296 -6.506 308 3HB ALA 39 3HB ALA 39 -10.411 -2.321 -7.999 309 H LYS 40 H LYS 40 -10.828 -4.908 -8.534 310 HA LYS 40 HA LYS 40 -11.235 -6.330 -6.048 311 1HB LYS 40 2HB LYS 40 -12.274 -6.469 -8.876 312 2HB LYS 40 1HB LYS 40 -12.727 -7.723 -7.720 313 1HG LYS 40 2HG LYS 40 -13.599 -6.017 -6.183 314 2HG LYS 40 1HG LYS 40 -13.111 -4.743 -7.301 315 1HD LYS 40 2HD LYS 40 -14.644 -5.578 -8.998 316 2HD LYS 40 1HD LYS 40 -15.063 -6.960 -7.985 317 1HE LYS 40 2HE LYS 40 -15.440 -4.162 -6.923 318 2HE LYS 40 1HE LYS 40 -16.671 -4.897 -7.971 319 1HZ LYS 40 1HZ LYS 40 -15.526 -6.152 -5.531 320 2HZ LYS 40 2HZ LYS 40 -16.722 -6.824 -6.532 321 3HZ LYS 40 3HZ LYS 40 -17.057 -5.427 -5.624 322 H LYS 41 H LYS 41 -9.955 -7.275 -9.233 323 HA LYS 41 HA LYS 41 -9.257 -9.982 -8.542 324 1HB LYS 41 2HB LYS 41 -9.489 -8.811 -10.828 325 2HB LYS 41 1HB LYS 41 -7.854 -8.209 -10.555 326 1HG LYS 41 2HG LYS 41 -7.124 -10.596 -10.191 327 2HG LYS 41 1HG LYS 41 -8.732 -11.105 -10.706 328 1HD LYS 41 2HD LYS 41 -8.427 -10.207 -12.892 329 2HD LYS 41 1HD LYS 41 -6.994 -9.303 -12.401 330 1HE LYS 41 2HE LYS 41 -5.784 -11.433 -12.009 331 2HE LYS 41 1HE LYS 41 -7.219 -12.333 -12.539 332 1HZ LYS 41 1HZ LYS 41 -5.690 -11.962 -14.387 333 2HZ LYS 41 2HZ LYS 41 -5.776 -10.283 -14.140 334 3HZ LYS 41 3HZ LYS 41 -7.154 -11.143 -14.640 335 H LEU 42 H LEU 42 -7.289 -6.994 -8.676 336 HA LEU 42 HA LEU 42 -4.773 -7.984 -7.914 337 1HB LEU 42 2HB LEU 42 -6.277 -5.456 -7.825 338 2HB LEU 42 1HB LEU 42 -4.988 -5.544 -6.632 339 HG LEU 42 HG LEU 42 -3.383 -6.149 -8.412 340 1HD1 LEU 42 1HD1 LEU 42 -3.971 -6.503 -10.604 341 2HD1 LEU 42 2HD1 LEU 42 -5.301 -5.348 -10.544 342 3HD1 LEU 42 3HD1 LEU 42 -5.506 -6.965 -9.875 343 1HD2 LEU 42 1HD2 LEU 42 -3.125 -3.952 -9.184 344 2HD2 LEU 42 2HD2 LEU 42 -4.104 -3.740 -7.734 345 3HD2 LEU 42 3HD2 LEU 42 -4.864 -3.695 -9.324 346 H GLY 43 H GLY 43 -7.307 -6.722 -5.706 347 1HA GLY 43 2HA GLY 43 -5.998 -7.191 -3.263 348 2HA GLY 43 1HA GLY 43 -7.754 -7.237 -3.451 349 H GLU 44 H GLU 44 -7.497 -9.472 -5.449 350 HA GLU 44 HA GLU 44 -7.607 -11.701 -3.565 351 1HB GLU 44 2HB GLU 44 -8.912 -11.253 -5.780 352 2HB GLU 44 1HB GLU 44 -7.464 -11.863 -6.581 353 1HG GLU 44 2HG GLU 44 -8.841 -13.775 -6.309 354 2HG GLU 44 1HG GLU 44 -7.659 -13.890 -5.004 355 H MET 45 H MET 45 -5.341 -10.437 -5.974 356 HA MET 45 HA MET 45 -3.449 -12.659 -5.706 357 1HB MET 45 2HB MET 45 -3.529 -9.958 -7.063 358 2HB MET 45 1HB MET 45 -2.062 -10.936 -7.068 359 1HG MET 45 2HG MET 45 -3.121 -12.710 -8.247 360 2HG MET 45 1HG MET 45 -4.729 -12.052 -7.945 361 1HE MET 45 1HE MET 45 -1.523 -12.053 -9.698 362 2HE MET 45 2HE MET 45 -1.285 -10.343 -9.342 363 3HE MET 45 3HE MET 45 -1.593 -10.857 -11.000 364 H TRP 46 H TRP 46 -3.801 -9.342 -4.480 365 HA TRP 46 HA TRP 46 -1.270 -9.002 -3.221 366 1HB TRP 46 2HB TRP 46 -2.898 -7.214 -3.505 367 2HB TRP 46 1HB TRP 46 -4.071 -8.050 -2.497 368 HD1 TRP 46 HD TRP 46 -4.184 -6.969 -0.190 369 HE1 TRP 46 1HE TRP 46 -2.483 -5.920 1.444 370 HE3 TRP 46 3HE TRP 46 0.064 -7.416 -2.958 371 HZ2 TRP 46 2HZ TRP 46 0.325 -5.349 1.552 372 HZ3 TRP 46 3HZ TRP 46 2.245 -6.614 -2.076 373 HH2 TRP 46 HH TRP 46 2.373 -5.586 0.171 374 H SER 47 H SER 47 -4.326 -10.280 -1.827 375 HA SER 47 HA SER 47 -3.187 -11.059 0.697 376 1HB SER 47 2HB SER 47 -5.619 -10.685 0.080 377 2HB SER 47 1HB SER 47 -5.574 -12.230 -0.764 378 HG SER 47 HG SER 47 -5.549 -11.655 1.953 379 H GLU 48 H GLU 48 -2.771 -12.405 -2.436 380 HA GLU 48 HA GLU 48 -2.183 -15.120 -1.377 381 1HB GLU 48 2HB GLU 48 -2.838 -13.866 -4.028 382 2HB GLU 48 1HB GLU 48 -1.985 -15.409 -3.994 383 1HG GLU 48 2HG GLU 48 -4.414 -15.091 -2.274 384 2HG GLU 48 1HG GLU 48 -4.636 -15.336 -4.007 385 H GLN 49 H GLN 49 -0.633 -12.180 -2.291 386 HA GLN 49 HA GLN 49 1.813 -13.251 -3.371 387 1HB GLN 49 2HB GLN 49 0.641 -10.720 -2.688 388 2HB GLN 49 1HB GLN 49 2.218 -10.793 -1.918 389 1HG GLN 49 2HG GLN 49 2.435 -9.859 -4.165 390 2HG GLN 49 1HG GLN 49 3.230 -11.431 -4.094 391 1HE2 GLN 49 1HE2 GLN 49 -0.002 -10.036 -4.907 392 2HE2 GLN 49 2HE2 GLN 49 -0.309 -11.122 -6.173 393 H SER 50 H SER 50 3.736 -13.755 -2.266 394 HA SER 50 HA SER 50 3.413 -14.409 0.614 395 1HB SER 50 2HB SER 50 5.407 -15.825 0.160 396 2HB SER 50 1HB SER 50 4.120 -16.146 -0.999 397 HG SER 50 HG SER 50 6.517 -15.595 -1.624 398 H ALA 51 H ALA 51 6.711 -13.989 -0.285 399 HA ALA 51 HA ALA 51 6.772 -11.390 1.184 400 1HB ALA 51 1HB ALA 51 8.065 -13.066 2.266 401 2HB ALA 51 2HB ALA 51 9.252 -12.120 1.368 402 3HB ALA 51 3HB ALA 51 8.703 -13.673 0.739 403 H LYS 52 H LYS 52 7.452 -12.903 -1.893 404 HA LYS 52 HA LYS 52 9.386 -11.146 -2.998 405 1HB LYS 52 2HB LYS 52 8.113 -13.346 -3.813 406 2HB LYS 52 1HB LYS 52 7.111 -12.163 -4.656 407 1HG LYS 52 2HG LYS 52 9.222 -11.153 -5.589 408 2HG LYS 52 1HG LYS 52 10.113 -12.505 -4.889 409 1HD LYS 52 2HD LYS 52 8.609 -14.064 -6.176 410 2HD LYS 52 1HD LYS 52 7.927 -12.652 -6.983 411 1HE LYS 52 2HE LYS 52 10.902 -13.256 -6.973 412 2HE LYS 52 1HE LYS 52 9.807 -13.774 -8.270 413 1HZ LYS 52 1HZ LYS 52 9.054 -11.454 -8.460 414 2HZ LYS 52 2HZ LYS 52 10.707 -11.622 -8.813 415 3HZ LYS 52 3HZ LYS 52 10.216 -10.990 -7.315 416 H ASP 53 H ASP 53 5.804 -10.906 -3.178 417 HA ASP 53 HA ASP 53 6.144 -7.986 -3.792 418 1HB ASP 53 2HB ASP 53 4.490 -10.171 -4.968 419 2HB ASP 53 1HB ASP 53 3.766 -8.566 -4.870 420 H LYS 54 H LYS 54 6.041 -8.348 -1.236 421 HA LYS 54 HA LYS 54 3.512 -7.255 -0.349 422 1HB LYS 54 2HB LYS 54 3.506 -9.940 -0.678 423 2HB LYS 54 1HB LYS 54 4.079 -9.834 0.982 424 1HG LYS 54 2HG LYS 54 2.107 -8.172 1.323 425 2HG LYS 54 1HG LYS 54 1.486 -8.831 -0.185 426 1HD LYS 54 2HD LYS 54 0.476 -10.108 1.559 427 2HD LYS 54 1HD LYS 54 1.730 -11.130 0.861 428 1HE LYS 54 2HE LYS 54 3.212 -10.761 2.690 429 2HE LYS 54 1HE LYS 54 2.261 -9.382 3.275 430 1HZ LYS 54 1HZ LYS 54 1.680 -11.304 4.564 431 2HZ LYS 54 2HZ LYS 54 1.394 -12.223 3.165 432 3HZ LYS 54 3HZ LYS 54 0.369 -10.926 3.557 433 H GLN 55 H GLN 55 6.618 -8.739 0.516 434 HA GLN 55 HA GLN 55 6.663 -7.754 3.247 435 1HB GLN 55 2HB GLN 55 8.462 -9.102 1.302 436 2HB GLN 55 1HB GLN 55 9.259 -8.213 2.600 437 1HG GLN 55 2HG GLN 55 7.072 -10.268 3.031 438 2HG GLN 55 1HG GLN 55 8.797 -10.604 3.187 439 1HE2 GLN 55 1HE2 GLN 55 6.033 -9.186 4.780 440 2HE2 GLN 55 2HE2 GLN 55 6.845 -8.693 6.186 441 HA PRO 56 HA PRO 56 9.497 -4.320 1.509 442 1HB PRO 56 2HB PRO 56 9.745 -4.041 -1.200 443 2HB PRO 56 1HB PRO 56 10.821 -5.068 -0.232 444 1HG PRO 56 2HG PRO 56 8.489 -5.830 -1.919 445 2HG PRO 56 1HG PRO 56 10.045 -6.648 -1.709 446 1HD PRO 56 2HD PRO 56 7.757 -7.448 -0.485 447 2HD PRO 56 1HD PRO 56 9.374 -7.719 0.198 448 H TYR 57 H TYR 57 6.405 -5.140 0.274 449 HA TYR 57 HA TYR 57 5.749 -2.490 -0.810 450 1HB TYR 57 2HB TYR 57 4.301 -5.090 -0.283 451 2HB TYR 57 1HB TYR 57 3.440 -3.658 -0.846 452 HD1 TYR 57 1HD TYR 57 6.522 -5.654 -1.640 453 HD2 TYR 57 2HD TYR 57 3.264 -3.299 -3.142 454 HE1 TYR 57 1HE TYR 57 7.264 -6.110 -3.962 455 HE2 TYR 57 2HE TYR 57 4.002 -3.752 -5.463 456 HH TYR 57 HH TYR 57 6.742 -4.546 -6.394 457 H GLU 58 H GLU 58 4.965 -4.400 2.102 458 HA GLU 58 HA GLU 58 3.250 -2.375 3.276 459 1HB GLU 58 2HB GLU 58 3.453 -3.853 5.269 460 2HB GLU 58 1HB GLU 58 3.093 -4.766 3.805 461 1HG GLU 58 2HG GLU 58 5.042 -5.906 3.915 462 2HG GLU 58 1HG GLU 58 5.973 -4.441 4.216 463 H GLN 59 H GLN 59 6.704 -2.844 3.158 464 HA GLN 59 HA GLN 59 7.321 -1.272 5.547 465 1HB GLN 59 2HB GLN 59 8.905 -2.300 3.174 466 2HB GLN 59 1HB GLN 59 9.644 -1.460 4.537 467 1HG GLN 59 2HG GLN 59 7.903 -3.911 4.880 468 2HG GLN 59 1HG GLN 59 9.655 -4.003 4.688 469 1HE2 GLN 59 1HE2 GLN 59 7.111 -3.393 6.960 470 2HE2 GLN 59 2HE2 GLN 59 8.096 -2.943 8.266 471 H LYS 60 H LYS 60 8.249 -0.666 2.140 472 HA LYS 60 HA LYS 60 8.862 2.048 2.304 473 1HB LYS 60 2HB LYS 60 9.079 0.427 0.367 474 2HB LYS 60 1HB LYS 60 7.374 0.722 0.022 475 1HG LYS 60 2HG LYS 60 8.025 3.234 0.032 476 2HG LYS 60 1HG LYS 60 9.684 2.654 -0.131 477 1HD LYS 60 2HD LYS 60 8.962 1.320 -2.128 478 2HD LYS 60 1HD LYS 60 7.373 2.077 -2.005 479 1HE LYS 60 2HE LYS 60 8.729 4.329 -2.035 480 2HE LYS 60 1HE LYS 60 10.003 3.329 -2.762 481 1HZ LYS 60 1HZ LYS 60 8.402 2.512 -4.374 482 2HZ LYS 60 2HZ LYS 60 8.502 4.206 -4.458 483 3HZ LYS 60 3HZ LYS 60 7.180 3.467 -3.687 484 H ALA 61 H ALA 61 5.659 0.593 2.283 485 HA ALA 61 HA ALA 61 4.279 3.160 1.818 486 1HB ALA 61 1HB ALA 61 3.018 0.607 2.795 487 2HB ALA 61 2HB ALA 61 3.640 0.697 1.147 488 3HB ALA 61 3HB ALA 61 2.369 1.802 1.672 489 H ALA 62 H ALA 62 4.837 0.878 4.490 490 HA ALA 62 HA ALA 62 3.261 2.121 6.501 491 1HB ALA 62 1HB ALA 62 4.164 -0.032 6.908 492 2HB ALA 62 2HB ALA 62 5.076 1.015 7.996 493 3HB ALA 62 3HB ALA 62 5.795 0.479 6.477 494 H LYS 63 H LYS 63 6.674 2.701 5.595 495 HA LYS 63 HA LYS 63 7.171 4.726 7.593 496 1HB LYS 63 2HB LYS 63 8.849 3.348 6.297 497 2HB LYS 63 1HB LYS 63 8.471 4.326 4.878 498 1HG LYS 63 2HG LYS 63 9.394 6.268 5.807 499 2HG LYS 63 1HG LYS 63 9.257 5.658 7.457 500 1HD LYS 63 2HD LYS 63 11.160 4.349 7.281 501 2HD LYS 63 1HD LYS 63 11.000 4.167 5.534 502 1HE LYS 63 2HE LYS 63 11.494 6.925 6.590 503 2HE LYS 63 1HE LYS 63 12.855 5.786 6.564 504 1HZ LYS 63 1HZ LYS 63 11.072 6.455 4.282 505 2HZ LYS 63 2HZ LYS 63 12.279 5.259 4.250 506 3HZ LYS 63 3HZ LYS 63 12.703 6.893 4.441 507 H LEU 64 H LEU 64 6.639 5.024 4.060 508 HA LEU 64 HA LEU 64 6.454 7.832 3.878 509 1HB LEU 64 2HB LEU 64 5.381 5.473 2.378 510 2HB LEU 64 1HB LEU 64 4.786 7.074 1.937 511 HG LEU 64 HG LEU 64 7.732 6.421 2.169 512 1HD1 LEU 64 1HD1 LEU 64 6.470 5.078 0.394 513 2HD1 LEU 64 2HD1 LEU 64 7.799 6.076 -0.194 514 3HD1 LEU 64 3HD1 LEU 64 6.134 6.621 -0.392 515 1HD2 LEU 64 1HD2 LEU 64 7.807 8.480 0.644 516 2HD2 LEU 64 2HD2 LEU 64 7.337 8.773 2.319 517 3HD2 LEU 64 3HD2 LEU 64 6.109 8.720 1.055 518 H LYS 65 H LYS 65 3.973 5.468 4.782 519 HA LYS 65 HA LYS 65 1.776 7.372 4.879 520 1HB LYS 65 2HB LYS 65 1.589 4.890 4.582 521 2HB LYS 65 1HB LYS 65 2.157 4.682 6.239 522 1HG LYS 65 2HG LYS 65 0.211 6.250 6.900 523 2HG LYS 65 1HG LYS 65 -0.423 5.921 5.287 524 1HD LYS 65 2HD LYS 65 -1.444 4.237 6.542 525 2HD LYS 65 1HD LYS 65 -0.006 3.410 5.942 526 1HE LYS 65 2HE LYS 65 1.167 4.075 8.090 527 2HE LYS 65 1HE LYS 65 -0.408 4.626 8.693 528 1HZ LYS 65 1HZ LYS 65 -0.024 2.305 9.276 529 2HZ LYS 65 2HZ LYS 65 0.188 1.911 7.636 530 3HZ LYS 65 3HZ LYS 65 -1.325 2.445 8.196 531 H GLU 66 H GLU 66 3.648 5.687 7.418 532 HA GLU 66 HA GLU 66 2.628 7.102 9.664 533 1HB GLU 66 2HB GLU 66 4.061 5.000 9.552 534 2HB GLU 66 1HB GLU 66 5.450 6.058 9.299 535 1HG GLU 66 2HG GLU 66 5.097 7.145 11.429 536 2HG GLU 66 1HG GLU 66 3.567 6.298 11.660 537 H LYS 67 H LYS 67 5.149 7.968 7.352 538 HA LYS 67 HA LYS 67 6.134 10.252 8.900 539 1HB LYS 67 2HB LYS 67 7.297 8.711 7.138 540 2HB LYS 67 1HB LYS 67 6.536 9.773 5.954 541 1HG LYS 67 2HG LYS 67 8.579 10.849 6.288 542 2HG LYS 67 1HG LYS 67 7.546 11.690 7.447 543 1HD LYS 67 2HD LYS 67 8.318 10.170 9.237 544 2HD LYS 67 1HD LYS 67 9.364 9.346 8.079 545 1HE LYS 67 2HE LYS 67 10.291 11.783 7.631 546 2HE LYS 67 1HE LYS 67 9.646 12.095 9.255 547 1HZ LYS 67 1HZ LYS 67 10.810 10.119 10.047 548 2HZ LYS 67 2HZ LYS 67 11.903 11.244 9.393 549 3HZ LYS 67 3HZ LYS 67 11.465 9.866 8.502 550 H TYR 68 H TYR 68 3.559 9.688 6.633 551 HA TYR 68 HA TYR 68 3.269 12.350 5.536 552 1HB TYR 68 2HB TYR 68 2.312 10.140 4.731 553 2HB TYR 68 1HB TYR 68 1.164 10.225 6.059 554 HD1 TYR 68 1HD TYR 68 2.486 12.560 3.411 555 HD2 TYR 68 2HD TYR 68 -0.935 10.993 5.484 556 HE1 TYR 68 1HE TYR 68 0.991 13.968 2.020 557 HE2 TYR 68 2HE TYR 68 -2.426 12.405 4.097 558 HH TYR 68 HH TYR 68 -2.094 13.490 1.571 559 H GLU 69 H GLU 69 1.947 10.694 8.356 560 HA GLU 69 HA GLU 69 0.064 12.634 9.242 561 1HB GLU 69 2HB GLU 69 1.823 10.681 10.764 562 2HB GLU 69 1HB GLU 69 0.414 11.492 11.448 563 1HG GLU 69 2HG GLU 69 -0.791 10.506 9.305 564 2HG GLU 69 1HG GLU 69 0.539 9.346 9.360 565 H LYS 70 H LYS 70 3.574 12.431 9.709 566 HA LYS 70 HA LYS 70 3.602 14.773 11.516 567 1HB LYS 70 2HB LYS 70 5.720 12.973 10.289 568 2HB LYS 70 1HB LYS 70 6.080 14.279 11.419 569 1HG LYS 70 2HG LYS 70 4.471 13.188 13.042 570 2HG LYS 70 1HG LYS 70 4.407 11.809 11.943 571 1HD LYS 70 2HD LYS 70 7.053 11.994 12.109 572 2HD LYS 70 1HD LYS 70 6.673 12.777 13.643 573 1HE LYS 70 2HE LYS 70 6.797 10.515 14.279 574 2HE LYS 70 1HE LYS 70 5.061 10.693 13.953 575 1HZ LYS 70 1HZ LYS 70 6.010 8.791 12.763 576 2HZ LYS 70 2HZ LYS 70 7.097 9.827 11.967 577 3HZ LYS 70 3HZ LYS 70 5.427 9.967 11.690 578 H ASP 71 H ASP 71 4.411 13.855 8.215 579 HA ASP 71 HA ASP 71 5.703 16.281 7.376 580 1HB ASP 71 2HB ASP 71 4.467 13.857 6.219 581 2HB ASP 71 1HB ASP 71 4.446 15.250 5.151 582 H ILE 72 H ILE 72 2.372 15.139 6.808 583 HA ILE 72 HA ILE 72 1.288 17.504 5.704 584 HB ILE 72 HB ILE 72 0.188 15.197 7.327 585 1HG1 ILE 72 2HG1 ILE 72 1.056 14.733 5.074 586 2HG1 ILE 72 1HG1 ILE 72 -0.687 14.502 5.141 587 1HG2 ILE 72 1HG2 ILE 72 -1.326 17.535 6.149 588 2HG2 ILE 72 2HG2 ILE 72 -1.467 16.843 7.765 589 3HG2 ILE 72 3HG2 ILE 72 -2.086 15.959 6.371 590 1HD1 ILE 72 1HD1 ILE 72 -0.329 15.721 3.136 591 2HD1 ILE 72 2HD1 ILE 72 0.846 16.790 3.899 592 3HD1 ILE 72 3HD1 ILE 72 -0.866 16.935 4.296 593 H ALA 73 H ALA 73 1.567 16.565 9.143 594 HA ALA 73 HA ALA 73 0.085 18.698 10.297 595 1HB ALA 73 1HB ALA 73 1.504 18.171 12.294 596 2HB ALA 73 2HB ALA 73 2.537 17.189 11.256 597 3HB ALA 73 3HB ALA 73 0.856 16.726 11.518 598 H ALA 74 H ALA 74 3.637 18.510 9.824 599 HA ALA 74 HA ALA 74 4.147 21.232 10.603 600 1HB ALA 74 1HB ALA 74 5.792 19.378 10.614 601 2HB ALA 74 2HB ALA 74 6.377 20.743 9.662 602 3HB ALA 74 3HB ALA 74 5.725 19.318 8.853 603 H TYR 75 H TYR 75 3.466 19.704 7.481 604 HA TYR 75 HA TYR 75 4.061 22.108 5.925 605 1HB TYR 75 2HB TYR 75 3.850 19.411 5.445 606 2HB TYR 75 1HB TYR 75 2.327 20.002 4.783 607 HD1 TYR 75 1HD TYR 75 5.958 19.940 4.417 608 HD2 TYR 75 2HD TYR 75 2.326 21.736 2.990 609 HE1 TYR 75 1HE TYR 75 7.158 20.775 2.415 610 HE2 TYR 75 2HE TYR 75 3.527 22.571 0.986 611 HH TYR 75 HH TYR 75 6.337 23.104 0.619 612 H ARG 76 H ARG 76 1.312 20.905 7.697 613 HA ARG 76 HA ARG 76 -0.827 22.106 6.224 614 1HB ARG 76 2HB ARG 76 -1.055 20.435 8.039 615 2HB ARG 76 1HB ARG 76 -0.499 21.631 9.208 616 1HG ARG 76 2HG ARG 76 -2.443 22.930 8.993 617 2HG ARG 76 1HG ARG 76 -2.853 22.226 7.430 618 1HD ARG 76 2HD ARG 76 -3.239 20.020 8.603 619 2HD ARG 76 1HD ARG 76 -3.045 20.881 10.144 620 HE ARG 76 HE ARG 76 -4.946 22.128 8.283 621 1HH1 ARG 76 1HH2 ARG 76 -5.234 22.597 11.150 622 2HH1 ARG 76 2HH2 ARG 76 -6.493 21.504 11.616 623 1HH2 ARG 76 1HH1 ARG 76 -6.224 19.557 8.760 624 2HH2 ARG 76 2HH1 ARG 76 -7.053 19.782 10.263 625 H ALA 77 H ALA 77 0.432 23.361 9.339 626 HA ALA 77 HA ALA 77 -0.380 26.091 8.565 627 1HB ALA 77 1HB ALA 77 0.908 25.019 11.091 628 2HB ALA 77 2HB ALA 77 -0.831 25.043 10.801 629 3HB ALA 77 3HB ALA 77 0.063 26.558 10.915 630 H LYS 78 H LYS 78 2.530 24.197 8.962 631 HA LYS 78 HA LYS 78 4.811 24.700 8.591 632 1HB LYS 78 2HB LYS 78 3.501 25.288 6.417 633 2HB LYS 78 1HB LYS 78 3.773 26.965 6.889 634 1HG LYS 78 2HG LYS 78 6.239 26.392 7.093 635 2HG LYS 78 1HG LYS 78 5.862 24.848 6.328 636 1HD LYS 78 2HD LYS 78 5.137 27.519 5.099 637 2HD LYS 78 1HD LYS 78 6.638 26.666 4.736 638 1HE LYS 78 2HE LYS 78 5.521 24.884 3.673 639 2HE LYS 78 1HE LYS 78 3.977 25.262 4.467 640 1HZ LYS 78 1HZ LYS 78 5.381 27.026 2.529 641 2HZ LYS 78 2HZ LYS 78 3.888 27.346 3.275 642 3HZ LYS 78 3HZ LYS 78 4.031 26.066 2.166 Start of MODEL 4 1 1H MET 1 1HT MET 1 -12.608 16.451 2.029 2 2H MET 1 2HT MET 1 -11.031 16.146 2.583 3 3H MET 1 3HT MET 1 -12.326 15.189 3.128 4 HA MET 1 HA MET 1 -11.191 13.890 1.515 5 1HB MET 1 2HB MET 1 -13.765 14.245 1.565 6 2HB MET 1 1HB MET 1 -13.519 15.173 0.084 7 1HG MET 1 2HG MET 1 -13.983 12.941 -0.626 8 2HG MET 1 1HG MET 1 -12.242 13.147 -0.810 9 1HE MET 1 1HE MET 1 -14.557 10.644 2.226 10 2HE MET 1 2HE MET 1 -15.020 11.009 0.566 11 3HE MET 1 3HE MET 1 -14.968 12.301 1.761 12 H LYS 2 H LYS 2 -12.037 17.116 0.233 13 HA LYS 2 HA LYS 2 -10.461 16.797 -2.202 14 1HB LYS 2 2HB LYS 2 -11.861 19.061 -0.768 15 2HB LYS 2 1HB LYS 2 -10.947 19.336 -2.252 16 1HG LYS 2 2HG LYS 2 -12.353 17.844 -3.497 17 2HG LYS 2 1HG LYS 2 -13.124 17.245 -2.029 18 1HD LYS 2 2HD LYS 2 -14.323 19.242 -1.695 19 2HD LYS 2 1HD LYS 2 -13.251 20.169 -2.745 20 1HE LYS 2 2HE LYS 2 -14.158 19.171 -4.722 21 2HE LYS 2 1HE LYS 2 -14.993 17.915 -3.786 22 1HZ LYS 2 1HZ LYS 2 -16.288 19.633 -2.691 23 2HZ LYS 2 2HZ LYS 2 -16.506 19.719 -4.375 24 3HZ LYS 2 3HZ LYS 2 -15.499 20.838 -3.586 25 H LYS 3 H LYS 3 -8.253 16.802 -2.146 26 HA LYS 3 HA LYS 3 -6.846 18.314 0.012 27 1HB LYS 3 2HB LYS 3 -6.441 15.862 -1.574 28 2HB LYS 3 1HB LYS 3 -4.981 16.834 -1.391 29 1HG LYS 3 2HG LYS 3 -5.095 15.286 0.471 30 2HG LYS 3 1HG LYS 3 -5.420 16.908 1.084 31 1HD LYS 3 2HD LYS 3 -7.805 16.492 1.101 32 2HD LYS 3 1HD LYS 3 -7.584 14.936 0.299 33 1HE LYS 3 2HE LYS 3 -7.848 14.417 2.625 34 2HE LYS 3 1HE LYS 3 -6.101 14.306 2.327 35 1HZ LYS 3 1HZ LYS 3 -5.874 16.615 3.009 36 2HZ LYS 3 2HZ LYS 3 -6.562 15.695 4.259 37 3HZ LYS 3 3HZ LYS 3 -7.540 16.715 3.314 38 H ASP 4 H ASP 4 -5.201 19.827 -0.541 39 HA ASP 4 HA ASP 4 -5.472 21.023 -3.250 40 1HB ASP 4 2HB ASP 4 -4.716 21.850 -0.503 41 2HB ASP 4 1HB ASP 4 -3.845 22.664 -1.802 42 HA PRO 5 HA PRO 5 -1.471 19.761 -4.596 43 1HB PRO 5 2HB PRO 5 -0.331 22.025 -5.629 44 2HB PRO 5 1HB PRO 5 -1.655 21.155 -6.432 45 1HG PRO 5 2HG PRO 5 -1.744 23.629 -4.780 46 2HG PRO 5 1HG PRO 5 -2.644 23.219 -6.248 47 1HD PRO 5 2HD PRO 5 -3.713 23.083 -3.747 48 2HD PRO 5 1HD PRO 5 -4.250 22.062 -5.100 49 H ASN 6 H ASN 6 -1.510 22.652 -2.559 50 HA ASN 6 HA ASN 6 1.301 22.592 -1.838 51 1HB ASN 6 2HB ASN 6 -1.215 23.852 -0.727 52 2HB ASN 6 1HB ASN 6 0.352 24.080 0.051 53 1HD2 ASN 6 1HD2 ASN 6 2.152 24.880 -1.524 54 2HD2 ASN 6 2HD2 ASN 6 1.685 26.005 -2.707 55 H ALA 7 H ALA 7 -1.654 21.178 -0.492 56 HA ALA 7 HA ALA 7 -0.211 20.073 1.850 57 1HB ALA 7 1HB ALA 7 -2.609 21.092 1.700 58 2HB ALA 7 2HB ALA 7 -2.387 19.622 2.647 59 3HB ALA 7 3HB ALA 7 -3.059 19.529 1.020 60 HA PRO 8 HA PRO 8 0.319 16.168 -0.077 61 1HB PRO 8 2HB PRO 8 0.523 14.547 2.090 62 2HB PRO 8 1HB PRO 8 1.806 15.626 1.518 63 1HG PRO 8 2HG PRO 8 0.118 15.859 3.870 64 2HG PRO 8 1HG PRO 8 1.631 16.646 3.438 65 1HD PRO 8 2HD PRO 8 -0.991 17.763 3.322 66 2HD PRO 8 1HD PRO 8 0.558 18.534 2.928 67 H LYS 9 H LYS 9 -0.626 13.837 -0.067 68 HA LYS 9 HA LYS 9 -3.559 13.968 0.560 69 1HB LYS 9 2HB LYS 9 -1.973 12.665 -1.672 70 2HB LYS 9 1HB LYS 9 -3.692 12.370 -1.410 71 1HG LYS 9 2HG LYS 9 -4.286 14.574 -1.944 72 2HG LYS 9 1HG LYS 9 -2.662 15.189 -1.628 73 1HD LYS 9 2HD LYS 9 -2.914 15.160 -4.011 74 2HD LYS 9 1HD LYS 9 -1.878 13.790 -3.605 75 1HE LYS 9 2HE LYS 9 -3.433 12.790 -5.056 76 2HE LYS 9 1HE LYS 9 -4.187 12.486 -3.478 77 1HZ LYS 9 1HZ LYS 9 -5.433 14.537 -3.704 78 2HZ LYS 9 2HZ LYS 9 -5.754 13.518 -5.025 79 3HZ LYS 9 3HZ LYS 9 -4.712 14.847 -5.207 80 H ARG 10 H ARG 10 -4.457 11.587 0.671 81 HA ARG 10 HA ARG 10 -3.452 10.262 2.934 82 1HB ARG 10 2HB ARG 10 -4.905 8.399 2.147 83 2HB ARG 10 1HB ARG 10 -5.694 9.967 1.982 84 1HG ARG 10 2HG ARG 10 -6.085 9.346 -0.165 85 2HG ARG 10 1HG ARG 10 -4.383 9.724 -0.436 86 1HD ARG 10 2HD ARG 10 -3.801 7.518 -0.622 87 2HD ARG 10 1HD ARG 10 -4.903 7.022 0.679 88 HE ARG 10 HE ARG 10 -5.698 7.491 -2.156 89 1HH1 ARG 10 1HH2 ARG 10 -7.521 8.072 0.390 90 2HH1 ARG 10 2HH2 ARG 10 -8.543 6.675 0.305 91 1HH2 ARG 10 1HH1 ARG 10 -6.532 5.016 -1.980 92 2HH2 ARG 10 2HH1 ARG 10 -7.983 4.945 -1.037 93 HA PRO 11 HA PRO 11 0.171 8.320 1.139 94 1HB PRO 11 2HB PRO 11 0.900 6.820 3.310 95 2HB PRO 11 1HB PRO 11 1.204 8.564 3.197 96 1HG PRO 11 2HG PRO 11 -0.926 7.104 4.668 97 2HG PRO 11 1HG PRO 11 -0.018 8.550 5.134 98 1HD PRO 11 2HD PRO 11 -2.572 8.604 4.167 99 2HD PRO 11 1HD PRO 11 -1.424 9.952 4.010 100 HA PRO 12 HA PRO 12 -1.133 4.283 -0.079 101 1HB PRO 12 2HB PRO 12 1.114 2.720 0.103 102 2HB PRO 12 1HB PRO 12 0.883 3.941 -1.166 103 1HG PRO 12 2HG PRO 12 2.456 4.111 1.361 104 2HG PRO 12 1HG PRO 12 2.857 4.705 -0.259 105 1HD PRO 12 2HD PRO 12 1.943 6.325 1.707 106 2HD PRO 12 1HD PRO 12 1.609 6.620 -0.013 107 H SER 13 H SER 13 -0.448 1.718 0.807 108 HA SER 13 HA SER 13 -0.317 1.468 3.686 109 1HB SER 13 2HB SER 13 -2.504 2.519 3.574 110 2HB SER 13 1HB SER 13 -3.027 1.392 2.325 111 HG SER 13 HG SER 13 -3.227 -0.158 3.791 112 H ALA 14 H ALA 14 1.043 0.043 1.694 113 HA ALA 14 HA ALA 14 1.649 -2.172 1.251 114 1HB ALA 14 1HB ALA 14 -0.763 -3.363 2.506 115 2HB ALA 14 2HB ALA 14 0.238 -2.387 3.581 116 3HB ALA 14 3HB ALA 14 0.939 -3.767 2.736 117 H PHE 15 H PHE 15 -1.945 -2.320 1.273 118 HA PHE 15 HA PHE 15 -2.119 -3.726 -1.205 119 1HB PHE 15 2HB PHE 15 -3.896 -3.562 0.517 120 2HB PHE 15 1HB PHE 15 -4.090 -1.849 0.147 121 HD1 PHE 15 1HD PHE 15 -6.069 -1.479 -1.030 122 HD2 PHE 15 2HD PHE 15 -3.686 -4.925 -1.978 123 HE1 PHE 15 1HE PHE 15 -7.623 -2.045 -2.877 124 HE2 PHE 15 2HE PHE 15 -5.239 -5.490 -3.826 125 HZ PHE 15 HZ PHE 15 -7.208 -4.052 -4.276 126 H PHE 16 H PHE 16 -1.650 -0.319 -0.525 127 HA PHE 16 HA PHE 16 -2.564 0.656 -3.108 128 1HB PHE 16 2HB PHE 16 -2.303 1.869 -0.832 129 2HB PHE 16 1HB PHE 16 -0.592 1.992 -1.243 130 HD1 PHE 16 1HD PHE 16 -3.984 3.134 -2.038 131 HD2 PHE 16 2HD PHE 16 0.149 3.303 -3.196 132 HE1 PHE 16 1HE PHE 16 -4.469 5.089 -3.485 133 HE2 PHE 16 2HE PHE 16 -0.336 5.259 -4.643 134 HZ PHE 16 HZ PHE 16 -2.645 6.152 -4.787 135 H LEU 17 H LEU 17 0.519 -0.482 -1.810 136 HA LEU 17 HA LEU 17 2.186 0.453 -3.991 137 1HB LEU 17 2HB LEU 17 2.325 -1.630 -1.817 138 2HB LEU 17 1HB LEU 17 3.554 -1.631 -3.077 139 HG LEU 17 HG LEU 17 4.287 -0.307 -1.127 140 1HD1 LEU 17 1HD1 LEU 17 4.777 0.338 -3.595 141 2HD1 LEU 17 2HD1 LEU 17 5.110 1.533 -2.341 142 3HD1 LEU 17 3HD1 LEU 17 3.646 1.662 -3.316 143 1HD2 LEU 17 1HD2 LEU 17 3.110 1.675 -0.422 144 2HD2 LEU 17 2HD2 LEU 17 1.933 0.364 -0.466 145 3HD2 LEU 17 3HD2 LEU 17 1.979 1.551 -1.769 146 H PHE 18 H PHE 18 1.391 -2.903 -3.243 147 HA PHE 18 HA PHE 18 1.754 -4.289 -5.556 148 1HB PHE 18 2HB PHE 18 0.840 -5.269 -3.535 149 2HB PHE 18 1HB PHE 18 -0.649 -4.343 -3.702 150 HD1 PHE 18 1HD PHE 18 -2.437 -5.115 -5.074 151 HD2 PHE 18 2HD PHE 18 1.387 -7.065 -5.229 152 HE1 PHE 18 1HE PHE 18 -3.433 -6.959 -6.399 153 HE2 PHE 18 2HE PHE 18 0.391 -8.909 -6.557 154 HZ PHE 18 HZ PHE 18 -2.021 -8.860 -7.138 155 H CYS 19 H CYS 19 -1.392 -2.572 -4.982 156 HA CYS 19 HA CYS 19 -2.359 -2.962 -7.648 157 1HB CYS 19 2HB CYS 19 -3.700 -2.411 -5.612 158 2HB CYS 19 1HB CYS 19 -3.000 -0.795 -5.625 159 HG CYS 19 HG CYS 19 -4.980 -0.314 -7.072 160 H SER 20 H SER 20 -0.629 -0.233 -6.137 161 HA SER 20 HA SER 20 -0.775 1.637 -8.250 162 1HB SER 20 2HB SER 20 0.078 2.229 -6.084 163 2HB SER 20 1HB SER 20 1.357 1.025 -6.190 164 HG SER 20 HG SER 20 1.044 3.417 -7.674 165 H GLU 21 H GLU 21 1.273 -1.238 -7.966 166 HA GLU 21 HA GLU 21 2.864 -0.413 -10.329 167 1HB GLU 21 2HB GLU 21 4.179 -2.430 -9.751 168 2HB GLU 21 1HB GLU 21 3.972 -1.372 -8.359 169 1HG GLU 21 2HG GLU 21 2.469 -2.814 -7.315 170 2HG GLU 21 1HG GLU 21 1.988 -3.575 -8.831 171 H HIS 22 H HIS 22 0.181 -2.553 -9.538 172 HA HIS 22 HA HIS 22 0.469 -4.117 -12.022 173 1HB HIS 22 2HB HIS 22 -1.239 -4.064 -9.566 174 2HB HIS 22 1HB HIS 22 -1.884 -4.867 -10.998 175 HD1 HIS 22 1HD HIS 22 -0.286 -6.783 -12.054 176 HD2 HIS 22 2HD HIS 22 0.642 -5.568 -8.176 177 HE1 HIS 22 1HE HIS 22 1.228 -8.568 -11.087 178 H ARG 23 H ARG 23 -1.618 -1.572 -10.687 179 HA ARG 23 HA ARG 23 -3.735 -1.375 -12.410 180 1HB ARG 23 2HB ARG 23 -2.751 0.143 -10.481 181 2HB ARG 23 1HB ARG 23 -2.183 1.116 -11.834 182 1HG ARG 23 2HG ARG 23 -4.375 1.488 -12.643 183 2HG ARG 23 1HG ARG 23 -5.043 0.178 -11.668 184 1HD ARG 23 2HD ARG 23 -5.602 2.363 -10.656 185 2HD ARG 23 1HD ARG 23 -4.478 1.482 -9.602 186 HE ARG 23 HE ARG 23 -2.651 2.813 -10.892 187 1HH1 ARG 23 1HH1 ARG 23 -4.232 4.246 -8.665 188 2HH1 ARG 23 2HH1 ARG 23 -4.544 5.768 -9.430 189 1HH2 ARG 23 1HH2 ARG 23 -3.752 4.632 -12.609 190 2HH2 ARG 23 2HH2 ARG 23 -4.272 5.987 -11.663 191 HA PRO 24 HA PRO 24 -1.305 0.951 -15.827 192 1HB PRO 24 2HB PRO 24 1.426 0.731 -15.856 193 2HB PRO 24 1HB PRO 24 0.569 2.061 -15.051 194 1HG PRO 24 2HG PRO 24 1.743 -0.415 -13.880 195 2HG PRO 24 1HG PRO 24 1.767 1.246 -13.265 196 1HD PRO 24 2HD PRO 24 0.088 -0.635 -12.309 197 2HD PRO 24 1HD PRO 24 -0.336 1.086 -12.364 198 H LYS 25 H LYS 25 -0.235 -2.122 -14.533 199 HA LYS 25 HA LYS 25 0.594 -3.249 -17.108 200 1HB LYS 25 2HB LYS 25 1.502 -3.906 -14.872 201 2HB LYS 25 1HB LYS 25 -0.085 -4.548 -14.447 202 1HG LYS 25 2HG LYS 25 0.026 -6.185 -16.223 203 2HG LYS 25 1HG LYS 25 1.509 -5.467 -16.854 204 1HD LYS 25 2HD LYS 25 2.770 -6.150 -14.945 205 2HD LYS 25 1HD LYS 25 1.312 -6.562 -14.043 206 1HE LYS 25 2HE LYS 25 0.862 -8.454 -15.478 207 2HE LYS 25 1HE LYS 25 2.146 -7.967 -16.604 208 1HZ LYS 25 1HZ LYS 25 2.525 -8.676 -13.741 209 2HZ LYS 25 2HZ LYS 25 3.752 -8.174 -14.804 210 3HZ LYS 25 3HZ LYS 25 2.952 -9.651 -15.062 211 H ILE 26 H ILE 26 -2.283 -3.350 -15.020 212 HA ILE 26 HA ILE 26 -3.735 -5.311 -16.585 213 HB ILE 26 HB ILE 26 -4.699 -3.145 -14.684 214 1HG1 ILE 26 2HG1 ILE 26 -3.009 -4.575 -13.623 215 2HG1 ILE 26 1HG1 ILE 26 -4.600 -4.933 -12.964 216 1HG2 ILE 26 1HG2 ILE 26 -6.463 -5.084 -14.316 217 2HG2 ILE 26 2HG2 ILE 26 -5.982 -5.539 -15.951 218 3HG2 ILE 26 3HG2 ILE 26 -6.656 -3.939 -15.644 219 1HD1 ILE 26 1HD1 ILE 26 -3.534 -7.047 -13.393 220 2HD1 ILE 26 2HD1 ILE 26 -3.060 -6.544 -15.016 221 3HD1 ILE 26 3HD1 ILE 26 -4.760 -6.829 -14.644 222 H LYS 27 H LYS 27 -3.025 -1.972 -17.106 223 HA LYS 27 HA LYS 27 -5.435 -1.286 -18.601 224 1HB LYS 27 2HB LYS 27 -2.728 -0.108 -18.038 225 2HB LYS 27 1HB LYS 27 -3.736 0.603 -19.300 226 1HG LYS 27 2HG LYS 27 -5.573 0.899 -17.703 227 2HG LYS 27 1HG LYS 27 -4.610 0.138 -16.436 228 1HD LYS 27 2HD LYS 27 -3.003 1.925 -16.468 229 2HD LYS 27 1HD LYS 27 -3.717 2.618 -17.925 230 1HE LYS 27 2HE LYS 27 -5.621 3.402 -16.772 231 2HE LYS 27 1HE LYS 27 -5.356 2.299 -15.407 232 1HZ LYS 27 1HZ LYS 27 -4.600 4.554 -14.892 233 2HZ LYS 27 2HZ LYS 27 -3.529 4.503 -16.211 234 3HZ LYS 27 3HZ LYS 27 -3.309 3.454 -14.893 235 H SER 28 H SER 28 -2.461 -2.947 -19.349 236 HA SER 28 HA SER 28 -2.447 -2.387 -22.209 237 1HB SER 28 2HB SER 28 -0.474 -3.040 -20.816 238 2HB SER 28 1HB SER 28 -1.195 -4.632 -20.592 239 HG SER 28 HG SER 28 0.126 -4.836 -22.326 240 H GLU 29 H GLU 29 -3.581 -5.086 -20.170 241 HA GLU 29 HA GLU 29 -4.700 -6.484 -22.538 242 1HB GLU 29 2HB GLU 29 -4.183 -7.073 -19.639 243 2HB GLU 29 1HB GLU 29 -5.307 -8.091 -20.539 244 1HG GLU 29 2HG GLU 29 -2.549 -7.458 -21.594 245 2HG GLU 29 1HG GLU 29 -2.840 -8.826 -20.519 246 H HIS 30 H HIS 30 -5.788 -3.988 -20.640 247 HA HIS 30 HA HIS 30 -8.623 -4.693 -21.170 248 1HB HIS 30 2HB HIS 30 -7.531 -3.915 -18.443 249 2HB HIS 30 1HB HIS 30 -9.229 -4.168 -18.828 250 HD1 HIS 30 1HD HIS 30 -10.060 -6.588 -19.066 251 HD2 HIS 30 2HD HIS 30 -5.961 -6.316 -18.382 252 HE1 HIS 30 1HE HIS 30 -9.268 -8.935 -18.538 253 HA PRO 31 HA PRO 31 -7.497 -0.276 -22.020 254 1HB PRO 31 2HB PRO 31 -9.003 -0.085 -24.308 255 2HB PRO 31 1HB PRO 31 -7.327 -0.672 -24.297 256 1HG PRO 31 2HG PRO 31 -9.874 -2.232 -24.343 257 2HG PRO 31 1HG PRO 31 -8.380 -2.489 -25.262 258 1HD PRO 31 2HD PRO 31 -8.976 -3.953 -23.077 259 2HD PRO 31 1HD PRO 31 -7.305 -3.507 -23.490 260 H GLY 32 H GLY 32 -8.714 0.781 -20.462 261 1HA GLY 32 2HA GLY 32 -10.740 2.205 -20.218 262 2HA GLY 32 1HA GLY 32 -11.675 0.862 -20.873 263 H LEU 33 H LEU 33 -9.825 -0.958 -19.144 264 HA LEU 33 HA LEU 33 -11.495 -1.687 -17.087 265 1HB LEU 33 2HB LEU 33 -9.049 -2.382 -17.967 266 2HB LEU 33 1HB LEU 33 -8.581 -1.577 -16.473 267 HG LEU 33 HG LEU 33 -8.930 -3.993 -16.115 268 1HD1 LEU 33 1HD1 LEU 33 -9.494 -2.234 -14.367 269 2HD1 LEU 33 2HD1 LEU 33 -10.270 -3.804 -14.154 270 3HD1 LEU 33 3HD1 LEU 33 -11.184 -2.453 -14.822 271 1HD2 LEU 33 1HD2 LEU 33 -10.786 -5.132 -16.805 272 2HD2 LEU 33 2HD2 LEU 33 -10.963 -3.784 -17.926 273 3HD2 LEU 33 3HD2 LEU 33 -11.871 -3.798 -16.415 274 H SER 34 H SER 34 -12.251 -0.781 -15.268 275 HA SER 34 HA SER 34 -11.009 1.735 -14.247 276 1HB SER 34 2HB SER 34 -13.305 1.845 -13.127 277 2HB SER 34 1HB SER 34 -13.305 1.920 -14.884 278 HG SER 34 HG SER 34 -14.785 0.393 -14.379 279 H ILE 35 H ILE 35 -11.914 1.811 -11.702 280 HA ILE 35 HA ILE 35 -10.225 -0.134 -10.304 281 HB ILE 35 HB ILE 35 -12.087 2.062 -9.337 282 1HG1 ILE 35 2HG1 ILE 35 -10.314 2.904 -10.835 283 2HG1 ILE 35 1HG1 ILE 35 -10.022 3.418 -9.176 284 1HG2 ILE 35 1HG2 ILE 35 -11.628 0.611 -7.495 285 2HG2 ILE 35 2HG2 ILE 35 -10.524 1.976 -7.323 286 3HG2 ILE 35 3HG2 ILE 35 -9.935 0.441 -7.960 287 1HD1 ILE 35 1HD1 ILE 35 -8.461 1.467 -8.910 288 2HD1 ILE 35 2HD1 ILE 35 -7.923 2.633 -10.118 289 3HD1 ILE 35 3HD1 ILE 35 -8.671 1.120 -10.626 290 H GLY 36 H GLY 36 -13.395 -0.301 -11.458 291 1HA GLY 36 2HA GLY 36 -14.456 -1.805 -9.143 292 2HA GLY 36 1HA GLY 36 -15.360 -1.369 -10.593 293 H ASP 37 H ASP 37 -12.225 -2.709 -11.143 294 HA ASP 37 HA ASP 37 -13.268 -5.475 -11.430 295 1HB ASP 37 2HB ASP 37 -12.290 -3.639 -13.619 296 2HB ASP 37 1HB ASP 37 -12.286 -5.390 -13.814 297 H THR 38 H THR 38 -10.455 -3.391 -12.237 298 HA THR 38 HA THR 38 -8.476 -5.447 -11.904 299 HB THR 38 HB THR 38 -8.500 -2.415 -11.898 300 HG1 THR 38 1HG THR 38 -7.614 -2.730 -13.898 301 1HG2 THR 38 1HG2 THR 38 -6.062 -2.396 -11.931 302 2HG2 THR 38 2HG2 THR 38 -6.015 -4.153 -11.810 303 3HG2 THR 38 3HG2 THR 38 -6.600 -3.192 -10.452 304 H ALA 39 H ALA 39 -9.908 -3.092 -9.660 305 HA ALA 39 HA ALA 39 -8.172 -3.558 -7.424 306 1HB ALA 39 1HB ALA 39 -11.116 -2.804 -7.511 307 2HB ALA 39 2HB ALA 39 -9.779 -1.670 -7.707 308 3HB ALA 39 3HB ALA 39 -10.010 -2.502 -6.170 309 H LYS 40 H LYS 40 -11.033 -5.237 -8.637 310 HA LYS 40 HA LYS 40 -11.326 -6.975 -6.305 311 1HB LYS 40 2HB LYS 40 -12.503 -6.650 -9.043 312 2HB LYS 40 1HB LYS 40 -12.767 -8.177 -8.201 313 1HG LYS 40 2HG LYS 40 -13.666 -6.949 -6.254 314 2HG LYS 40 1HG LYS 40 -13.416 -5.424 -7.105 315 1HD LYS 40 2HD LYS 40 -14.858 -6.543 -8.986 316 2HD LYS 40 1HD LYS 40 -15.397 -7.608 -7.687 317 1HE LYS 40 2HE LYS 40 -15.862 -5.437 -6.350 318 2HE LYS 40 1HE LYS 40 -15.746 -4.615 -7.919 319 1HZ LYS 40 1HZ LYS 40 -17.472 -6.967 -7.344 320 2HZ LYS 40 2HZ LYS 40 -17.371 -6.137 -8.823 321 3HZ LYS 40 3HZ LYS 40 -18.020 -5.365 -7.456 322 H LYS 41 H LYS 41 -9.679 -7.102 -9.428 323 HA LYS 41 HA LYS 41 -9.001 -9.959 -9.185 324 1HB LYS 41 2HB LYS 41 -9.468 -8.603 -11.306 325 2HB LYS 41 1HB LYS 41 -7.881 -7.870 -11.068 326 1HG LYS 41 2HG LYS 41 -7.042 -10.337 -10.883 327 2HG LYS 41 1HG LYS 41 -8.560 -10.734 -11.690 328 1HD LYS 41 2HD LYS 41 -6.694 -8.618 -12.769 329 2HD LYS 41 1HD LYS 41 -6.523 -10.319 -13.204 330 1HE LYS 41 2HE LYS 41 -8.943 -10.301 -13.938 331 2HE LYS 41 1HE LYS 41 -8.933 -8.542 -13.697 332 1HZ LYS 41 1HZ LYS 41 -7.023 -8.381 -15.167 333 2HZ LYS 41 2HZ LYS 41 -8.325 -9.115 -15.975 334 3HZ LYS 41 3HZ LYS 41 -7.033 -10.060 -15.407 335 H LEU 42 H LEU 42 -7.631 -6.927 -8.181 336 HA LEU 42 HA LEU 42 -4.871 -7.954 -7.968 337 1HB LEU 42 2HB LEU 42 -6.353 -5.411 -7.787 338 2HB LEU 42 1HB LEU 42 -5.010 -5.538 -6.657 339 HG LEU 42 HG LEU 42 -3.502 -6.140 -8.524 340 1HD1 LEU 42 1HD1 LEU 42 -5.365 -7.120 -9.948 341 2HD1 LEU 42 2HD1 LEU 42 -4.244 -6.067 -10.811 342 3HD1 LEU 42 3HD1 LEU 42 -5.831 -5.465 -10.338 343 1HD2 LEU 42 1HD2 LEU 42 -4.954 -3.658 -9.380 344 2HD2 LEU 42 2HD2 LEU 42 -3.218 -3.941 -9.237 345 3HD2 LEU 42 3HD2 LEU 42 -4.198 -3.717 -7.788 346 H GLY 43 H GLY 43 -7.281 -6.610 -5.666 347 1HA GLY 43 2HA GLY 43 -5.968 -7.250 -3.264 348 2HA GLY 43 1HA GLY 43 -7.727 -7.182 -3.421 349 H GLU 44 H GLU 44 -7.660 -9.362 -5.483 350 HA GLU 44 HA GLU 44 -7.891 -11.639 -3.682 351 1HB GLU 44 2HB GLU 44 -9.236 -11.225 -5.772 352 2HB GLU 44 1HB GLU 44 -7.773 -11.500 -6.718 353 1HG GLU 44 2HG GLU 44 -7.598 -13.774 -5.899 354 2HG GLU 44 1HG GLU 44 -8.934 -13.516 -4.777 355 H MET 45 H MET 45 -5.535 -10.480 -6.079 356 HA MET 45 HA MET 45 -3.758 -12.784 -5.771 357 1HB MET 45 2HB MET 45 -3.744 -10.114 -7.173 358 2HB MET 45 1HB MET 45 -2.268 -11.079 -7.095 359 1HG MET 45 2HG MET 45 -3.696 -13.028 -7.975 360 2HG MET 45 1HG MET 45 -4.910 -11.809 -8.367 361 1HE MET 45 1HE MET 45 -3.120 -9.429 -10.782 362 2HE MET 45 2HE MET 45 -3.291 -9.308 -9.032 363 3HE MET 45 3HE MET 45 -4.638 -9.894 -10.004 364 H TRP 46 H TRP 46 -3.834 -9.385 -4.656 365 HA TRP 46 HA TRP 46 -1.336 -9.169 -3.364 366 1HB TRP 46 2HB TRP 46 -2.901 -7.331 -3.630 367 2HB TRP 46 1HB TRP 46 -4.095 -8.127 -2.614 368 HD1 TRP 46 HD TRP 46 -4.158 -7.036 -0.316 369 HE1 TRP 46 1HE TRP 46 -2.427 -6.023 1.305 370 HE3 TRP 46 3HE TRP 46 0.069 -7.646 -3.079 371 HZ2 TRP 46 2HZ TRP 46 0.396 -5.541 1.405 372 HZ3 TRP 46 3HZ TRP 46 2.270 -6.906 -2.210 373 HH2 TRP 46 HH TRP 46 2.433 -5.861 0.024 374 H SER 47 H SER 47 -4.393 -10.477 -2.022 375 HA SER 47 HA SER 47 -3.304 -11.205 0.543 376 1HB SER 47 2HB SER 47 -5.740 -10.897 -0.266 377 2HB SER 47 1HB SER 47 -5.607 -12.538 -0.893 378 HG SER 47 HG SER 47 -5.460 -11.610 1.769 379 H GLU 48 H GLU 48 -2.682 -12.526 -2.542 380 HA GLU 48 HA GLU 48 -2.085 -15.224 -1.447 381 1HB GLU 48 2HB GLU 48 -2.757 -14.047 -4.136 382 2HB GLU 48 1HB GLU 48 -1.923 -15.597 -4.038 383 1HG GLU 48 2HG GLU 48 -4.408 -15.107 -2.412 384 2HG GLU 48 1HG GLU 48 -4.529 -15.598 -4.101 385 H GLN 49 H GLN 49 -0.594 -12.250 -2.464 386 HA GLN 49 HA GLN 49 1.830 -13.223 -3.602 387 1HB GLN 49 2HB GLN 49 1.224 -10.789 -1.881 388 2HB GLN 49 1HB GLN 49 2.679 -10.984 -2.855 389 1HG GLN 49 2HG GLN 49 -0.153 -10.950 -3.927 390 2HG GLN 49 1HG GLN 49 0.988 -9.616 -4.027 391 1HE2 GLN 49 1HE2 GLN 49 -0.235 -11.174 -6.280 392 2HE2 GLN 49 2HE2 GLN 49 1.072 -11.820 -7.149 393 H SER 50 H SER 50 3.775 -13.823 -2.617 394 HA SER 50 HA SER 50 3.606 -14.696 0.208 395 1HB SER 50 2HB SER 50 5.564 -16.006 -0.401 396 2HB SER 50 1HB SER 50 4.403 -16.140 -1.718 397 HG SER 50 HG SER 50 6.009 -15.443 -2.886 398 H ALA 51 H ALA 51 6.576 -14.459 0.498 399 HA ALA 51 HA ALA 51 6.647 -11.721 1.520 400 1HB ALA 51 1HB ALA 51 8.528 -14.083 1.411 401 2HB ALA 51 2HB ALA 51 7.711 -13.399 2.817 402 3HB ALA 51 3HB ALA 51 9.049 -12.531 2.065 403 H LYS 52 H LYS 52 7.164 -12.969 -1.583 404 HA LYS 52 HA LYS 52 9.478 -11.311 -2.303 405 1HB LYS 52 2HB LYS 52 8.578 -13.615 -3.230 406 2HB LYS 52 1HB LYS 52 7.559 -12.584 -4.235 407 1HG LYS 52 2HG LYS 52 9.446 -11.523 -5.237 408 2HG LYS 52 1HG LYS 52 10.550 -12.193 -4.035 409 1HD LYS 52 2HD LYS 52 10.892 -13.598 -5.885 410 2HD LYS 52 1HD LYS 52 9.729 -14.506 -4.917 411 1HE LYS 52 2HE LYS 52 7.906 -13.311 -6.313 412 2HE LYS 52 1HE LYS 52 9.224 -12.906 -7.431 413 1HZ LYS 52 1HZ LYS 52 8.162 -15.069 -7.933 414 2HZ LYS 52 2HZ LYS 52 8.667 -15.642 -6.415 415 3HZ LYS 52 3HZ LYS 52 9.817 -15.207 -7.588 416 H ASP 53 H ASP 53 5.955 -11.274 -2.854 417 HA ASP 53 HA ASP 53 6.194 -8.430 -3.791 418 1HB ASP 53 2HB ASP 53 4.761 -10.831 -4.745 419 2HB ASP 53 1HB ASP 53 3.779 -9.368 -4.693 420 H LYS 54 H LYS 54 6.099 -8.687 -1.132 421 HA LYS 54 HA LYS 54 3.558 -7.496 -0.381 422 1HB LYS 54 2HB LYS 54 3.589 -10.210 -0.539 423 2HB LYS 54 1HB LYS 54 4.060 -9.977 1.139 424 1HG LYS 54 2HG LYS 54 2.055 -8.353 1.280 425 2HG LYS 54 1HG LYS 54 1.547 -9.039 -0.258 426 1HD LYS 54 2HD LYS 54 0.425 -10.219 1.548 427 2HD LYS 54 1HD LYS 54 1.580 -11.303 0.770 428 1HE LYS 54 2HE LYS 54 3.033 -11.284 2.593 429 2HE LYS 54 1HE LYS 54 2.487 -9.685 3.138 430 1HZ LYS 54 1HZ LYS 54 0.282 -10.711 3.567 431 2HZ LYS 54 2HZ LYS 54 1.516 -11.311 4.570 432 3HZ LYS 54 3HZ LYS 54 0.964 -12.233 3.254 433 H GLN 55 H GLN 55 6.636 -8.930 0.661 434 HA GLN 55 HA GLN 55 6.621 -7.762 3.318 435 1HB GLN 55 2HB GLN 55 8.485 -9.205 1.501 436 2HB GLN 55 1HB GLN 55 9.221 -8.262 2.797 437 1HG GLN 55 2HG GLN 55 7.008 -10.287 3.227 438 2HG GLN 55 1HG GLN 55 8.722 -10.642 3.440 439 1HE2 GLN 55 1HE2 GLN 55 5.940 -9.346 4.999 440 2HE2 GLN 55 2HE2 GLN 55 6.723 -8.721 6.369 441 HA PRO 56 HA PRO 56 9.508 -4.457 1.409 442 1HB PRO 56 2HB PRO 56 9.760 -4.330 -1.312 443 2HB PRO 56 1HB PRO 56 10.832 -5.304 -0.285 444 1HG PRO 56 2HG PRO 56 8.494 -6.154 -1.923 445 2HG PRO 56 1HG PRO 56 10.051 -6.960 -1.674 446 1HD PRO 56 2HD PRO 56 7.777 -7.700 -0.402 447 2HD PRO 56 1HD PRO 56 9.394 -7.912 0.302 448 H TYR 57 H TYR 57 6.415 -5.327 0.193 449 HA TYR 57 HA TYR 57 5.771 -2.735 -1.026 450 1HB TYR 57 2HB TYR 57 4.308 -5.284 -0.327 451 2HB TYR 57 1HB TYR 57 3.444 -3.877 -0.949 452 HD1 TYR 57 1HD TYR 57 3.253 -3.597 -3.258 453 HD2 TYR 57 2HD TYR 57 6.459 -5.985 -1.692 454 HE1 TYR 57 1HE TYR 57 3.933 -4.195 -5.563 455 HE2 TYR 57 2HE TYR 57 7.141 -6.583 -4.000 456 HH TYR 57 HH TYR 57 6.514 -5.053 -6.554 457 H GLU 58 H GLU 58 4.969 -4.470 1.990 458 HA GLU 58 HA GLU 58 3.309 -2.347 3.062 459 1HB GLU 58 2HB GLU 58 3.502 -3.715 5.139 460 2HB GLU 58 1HB GLU 58 3.079 -4.684 3.731 461 1HG GLU 58 2HG GLU 58 5.014 -5.867 3.816 462 2HG GLU 58 1HG GLU 58 5.979 -4.426 4.130 463 H GLN 59 H GLN 59 6.758 -2.864 2.928 464 HA GLN 59 HA GLN 59 7.427 -1.218 5.247 465 1HB GLN 59 2HB GLN 59 8.888 -2.386 2.869 466 2HB GLN 59 1HB GLN 59 9.712 -1.340 4.027 467 1HG GLN 59 2HG GLN 59 8.988 -2.860 5.865 468 2HG GLN 59 1HG GLN 59 8.275 -3.934 4.661 469 1HE2 GLN 59 1HE2 GLN 59 9.693 -5.300 3.452 470 2HE2 GLN 59 2HE2 GLN 59 11.369 -5.357 3.714 471 H LYS 60 H LYS 60 8.153 -0.703 1.777 472 HA LYS 60 HA LYS 60 8.758 1.997 1.752 473 1HB LYS 60 2HB LYS 60 8.627 0.200 -0.108 474 2HB LYS 60 1HB LYS 60 6.961 0.737 -0.321 475 1HG LYS 60 2HG LYS 60 7.765 3.056 -0.666 476 2HG LYS 60 1HG LYS 60 9.428 2.492 -0.500 477 1HD LYS 60 2HD LYS 60 8.930 0.872 -2.409 478 2HD LYS 60 1HD LYS 60 7.442 1.782 -2.667 479 1HE LYS 60 2HE LYS 60 10.098 3.214 -2.524 480 2HE LYS 60 1HE LYS 60 9.528 2.497 -4.045 481 1HZ LYS 60 1HZ LYS 60 8.003 4.395 -2.338 482 2HZ LYS 60 2HZ LYS 60 7.426 3.672 -3.764 483 3HZ LYS 60 3HZ LYS 60 8.724 4.766 -3.829 484 H ALA 61 H ALA 61 5.541 0.603 2.155 485 HA ALA 61 HA ALA 61 4.182 3.201 1.788 486 1HB ALA 61 1HB ALA 61 2.905 0.761 2.968 487 2HB ALA 61 2HB ALA 61 3.432 0.688 1.287 488 3HB ALA 61 3HB ALA 61 2.254 1.901 1.790 489 H ALA 62 H ALA 62 5.119 0.966 4.385 490 HA ALA 62 HA ALA 62 3.805 2.185 6.591 491 1HB ALA 62 1HB ALA 62 6.458 0.745 6.288 492 2HB ALA 62 2HB ALA 62 4.912 0.048 6.773 493 3HB ALA 62 3HB ALA 62 5.762 1.151 7.856 494 H LYS 63 H LYS 63 7.168 2.766 5.426 495 HA LYS 63 HA LYS 63 7.659 5.002 7.175 496 1HB LYS 63 2HB LYS 63 9.337 3.537 5.989 497 2HB LYS 63 1HB LYS 63 8.892 4.339 4.482 498 1HG LYS 63 2HG LYS 63 9.426 6.544 5.693 499 2HG LYS 63 1HG LYS 63 10.209 5.545 6.918 500 1HD LYS 63 2HD LYS 63 10.870 5.398 3.965 501 2HD LYS 63 1HD LYS 63 11.770 6.381 5.120 502 1HE LYS 63 2HE LYS 63 11.321 3.470 5.734 503 2HE LYS 63 1HE LYS 63 12.604 3.934 4.599 504 1HZ LYS 63 1HZ LYS 63 13.478 5.469 6.214 505 2HZ LYS 63 2HZ LYS 63 13.373 3.930 6.924 506 3HZ LYS 63 3HZ LYS 63 12.220 5.121 7.297 507 H LEU 64 H LEU 64 5.757 4.702 4.309 508 HA LEU 64 HA LEU 64 6.016 7.526 3.496 509 1HB LEU 64 2HB LEU 64 4.698 5.012 2.568 510 2HB LEU 64 1HB LEU 64 3.947 6.530 2.074 511 HG LEU 64 HG LEU 64 6.894 5.929 1.713 512 1HD1 LEU 64 1HD1 LEU 64 6.474 5.192 -0.461 513 2HD1 LEU 64 2HD1 LEU 64 4.895 5.971 -0.528 514 3HD1 LEU 64 3HD1 LEU 64 5.110 4.495 0.412 515 1HD2 LEU 64 1HD2 LEU 64 5.015 8.122 0.813 516 2HD2 LEU 64 2HD2 LEU 64 6.554 7.826 0.004 517 3HD2 LEU 64 3HD2 LEU 64 6.527 8.281 1.707 518 H LYS 65 H LYS 65 3.750 5.391 5.176 519 HA LYS 65 HA LYS 65 1.572 7.256 5.432 520 1HB LYS 65 2HB LYS 65 1.437 4.793 5.734 521 2HB LYS 65 1HB LYS 65 2.440 4.924 7.180 522 1HG LYS 65 2HG LYS 65 0.741 5.812 8.444 523 2HG LYS 65 1HG LYS 65 0.026 6.662 7.074 524 1HD LYS 65 2HD LYS 65 -0.420 4.140 6.264 525 2HD LYS 65 1HD LYS 65 -0.408 3.864 8.006 526 1HE LYS 65 2HE LYS 65 -2.370 5.007 8.325 527 2HE LYS 65 1HE LYS 65 -1.973 6.223 7.094 528 1HZ LYS 65 1HZ LYS 65 -2.623 3.395 6.464 529 2HZ LYS 65 2HZ LYS 65 -2.446 4.682 5.366 530 3HZ LYS 65 3HZ LYS 65 -3.771 4.644 6.429 531 H GLU 66 H GLU 66 4.061 6.226 7.788 532 HA GLU 66 HA GLU 66 3.492 8.056 9.864 533 1HB GLU 66 2HB GLU 66 5.855 7.629 10.512 534 2HB GLU 66 1HB GLU 66 5.038 6.147 10.019 535 1HG GLU 66 2HG GLU 66 6.997 5.944 8.801 536 2HG GLU 66 1HG GLU 66 6.005 6.816 7.631 537 H LYS 67 H LYS 67 5.262 8.550 6.851 538 HA LYS 67 HA LYS 67 6.462 11.093 7.503 539 1HB LYS 67 2HB LYS 67 6.973 9.454 5.597 540 2HB LYS 67 1HB LYS 67 5.552 10.111 4.783 541 1HG LYS 67 2HG LYS 67 6.535 12.383 4.931 542 2HG LYS 67 1HG LYS 67 7.971 11.700 5.695 543 1HD LYS 67 2HD LYS 67 8.484 10.402 3.718 544 2HD LYS 67 1HD LYS 67 6.959 10.864 2.963 545 1HE LYS 67 2HE LYS 67 7.660 13.132 2.689 546 2HE LYS 67 1HE LYS 67 9.039 12.911 3.785 547 1HZ LYS 67 1HZ LYS 67 9.946 11.268 2.267 548 2HZ LYS 67 2HZ LYS 67 9.730 12.750 1.463 549 3HZ LYS 67 3HZ LYS 67 8.635 11.475 1.213 550 H TYR 68 H TYR 68 3.267 10.110 6.424 551 HA TYR 68 HA TYR 68 2.306 12.688 5.529 552 1HB TYR 68 2HB TYR 68 1.377 10.353 5.102 553 2HB TYR 68 1HB TYR 68 0.759 10.376 6.749 554 HD1 TYR 68 1HD TYR 68 0.911 12.924 3.987 555 HD2 TYR 68 2HD TYR 68 -1.534 10.751 6.771 556 HE1 TYR 68 1HE TYR 68 -1.087 14.167 3.204 557 HE2 TYR 68 2HE TYR 68 -3.532 11.995 5.990 558 HH TYR 68 HH TYR 68 -4.140 13.229 3.684 559 H GLU 69 H GLU 69 2.417 11.013 8.630 560 HA GLU 69 HA GLU 69 0.732 12.698 10.184 561 1HB GLU 69 2HB GLU 69 3.256 11.176 10.922 562 2HB GLU 69 1HB GLU 69 2.046 11.748 12.070 563 1HG GLU 69 2HG GLU 69 0.418 10.411 10.409 564 2HG GLU 69 1HG GLU 69 1.897 9.492 10.127 565 H LYS 70 H LYS 70 4.220 12.961 9.440 566 HA LYS 70 HA LYS 70 4.534 15.429 10.998 567 1HB LYS 70 2HB LYS 70 6.257 13.857 9.054 568 2HB LYS 70 1HB LYS 70 6.822 15.301 9.895 569 1HG LYS 70 2HG LYS 70 6.636 14.268 12.025 570 2HG LYS 70 1HG LYS 70 5.648 12.952 11.388 571 1HD LYS 70 2HD LYS 70 7.664 12.327 9.942 572 2HD LYS 70 1HD LYS 70 8.598 13.441 10.941 573 1HE LYS 70 2HE LYS 70 8.038 12.170 12.958 574 2HE LYS 70 1HE LYS 70 6.996 11.088 12.011 575 1HZ LYS 70 1HZ LYS 70 8.899 10.508 10.639 576 2HZ LYS 70 2HZ LYS 70 9.218 10.150 12.269 577 3HZ LYS 70 3HZ LYS 70 9.900 11.530 11.550 578 H ASP 71 H ASP 71 4.085 14.452 7.642 579 HA ASP 71 HA ASP 71 4.564 17.005 6.385 580 1HB ASP 71 2HB ASP 71 3.381 14.362 5.770 581 2HB ASP 71 1HB ASP 71 2.723 15.688 4.815 582 H ILE 72 H ILE 72 1.562 15.347 7.355 583 HA ILE 72 HA ILE 72 -0.186 17.586 6.836 584 HB ILE 72 HB ILE 72 -0.348 15.053 8.503 585 1HG1 ILE 72 2HG1 ILE 72 -0.218 14.766 6.062 586 2HG1 ILE 72 1HG1 ILE 72 -1.811 14.309 6.659 587 1HG2 ILE 72 1HG2 ILE 72 -2.432 17.193 8.042 588 2HG2 ILE 72 2HG2 ILE 72 -1.958 16.436 9.563 589 3HG2 ILE 72 3HG2 ILE 72 -2.886 15.522 8.374 590 1HD1 ILE 72 1HD1 ILE 72 -2.538 16.711 6.091 591 2HD1 ILE 72 2HD1 ILE 72 -2.237 15.636 4.726 592 3HD1 ILE 72 3HD1 ILE 72 -1.028 16.833 5.189 593 H ALA 73 H ALA 73 1.701 16.541 9.639 594 HA ALA 73 HA ALA 73 0.561 18.111 11.697 595 1HB ALA 73 1HB ALA 73 2.219 16.572 12.316 596 2HB ALA 73 2HB ALA 73 3.078 18.105 12.462 597 3HB ALA 73 3HB ALA 73 3.315 17.094 11.037 598 H ALA 74 H ALA 74 3.016 19.036 9.272 599 HA ALA 74 HA ALA 74 3.328 21.752 10.281 600 1HB ALA 74 1HB ALA 74 5.109 20.599 9.090 601 2HB ALA 74 2HB ALA 74 4.600 21.981 8.121 602 3HB ALA 74 3HB ALA 74 4.065 20.357 7.690 603 H TYR 75 H TYR 75 0.978 20.182 8.307 604 HA TYR 75 HA TYR 75 0.070 22.770 7.115 605 1HB TYR 75 2HB TYR 75 0.570 20.777 5.665 606 2HB TYR 75 1HB TYR 75 -0.720 19.905 6.492 607 HD1 TYR 75 1HD TYR 75 -2.972 20.163 5.817 608 HD2 TYR 75 2HD TYR 75 -0.019 23.001 4.522 609 HE1 TYR 75 1HE TYR 75 -4.638 21.207 4.307 610 HE2 TYR 75 2HE TYR 75 -1.685 24.046 3.012 611 HH TYR 75 HH TYR 75 -4.369 22.665 2.001 612 H ARG 76 H ARG 76 -0.538 20.671 9.697 613 HA ARG 76 HA ARG 76 -3.437 20.761 9.799 614 1HB ARG 76 2HB ARG 76 -1.783 19.134 10.902 615 2HB ARG 76 1HB ARG 76 -1.516 20.394 12.106 616 1HG ARG 76 2HG ARG 76 -3.661 20.223 12.967 617 2HG ARG 76 1HG ARG 76 -4.334 19.628 11.450 618 1HD ARG 76 2HD ARG 76 -3.254 17.450 11.783 619 2HD ARG 76 1HD ARG 76 -2.491 18.038 13.273 620 HE ARG 76 HE ARG 76 -5.459 18.157 13.029 621 1HH1 ARG 76 1HH2 ARG 76 -3.681 18.711 15.509 622 2HH1 ARG 76 2HH2 ARG 76 -3.993 17.281 16.435 623 1HH2 ARG 76 1HH1 ARG 76 -5.397 15.548 13.780 624 2HH2 ARG 76 2HH1 ARG 76 -4.964 15.490 15.456 625 H ALA 77 H ALA 77 -1.000 22.363 11.895 626 HA ALA 77 HA ALA 77 -3.022 24.406 12.651 627 1HB ALA 77 1HB ALA 77 -0.195 23.891 13.630 628 2HB ALA 77 2HB ALA 77 -1.640 23.155 14.324 629 3HB ALA 77 3HB ALA 77 -1.407 24.901 14.420 630 H LYS 78 H LYS 78 -2.855 25.331 10.366 631 HA LYS 78 HA LYS 78 -0.650 27.350 10.272 632 1HB LYS 78 2HB LYS 78 -1.413 25.217 8.317 633 2HB LYS 78 1HB LYS 78 -0.855 26.762 7.676 634 1HG LYS 78 2HG LYS 78 1.060 26.439 9.486 635 2HG LYS 78 1HG LYS 78 0.634 24.738 9.301 636 1HD LYS 78 2HD LYS 78 1.258 24.686 7.052 637 2HD LYS 78 1HD LYS 78 1.066 26.430 6.856 638 1HE LYS 78 2HE LYS 78 3.034 26.683 8.490 639 2HE LYS 78 1HE LYS 78 3.322 24.950 8.231 640 1HZ LYS 78 1HZ LYS 78 3.081 26.998 6.089 641 2HZ LYS 78 2HZ LYS 78 3.353 25.338 5.850 642 3HZ LYS 78 3HZ LYS 78 4.534 26.295 6.610 Start of MODEL 5 1 1H MET 1 1HT MET 1 -9.123 15.856 -1.291 2 2H MET 1 2HT MET 1 -8.858 17.030 -2.491 3 3H MET 1 3HT MET 1 -8.146 17.203 -0.959 4 HA MET 1 HA MET 1 -6.710 15.330 -1.329 5 1HB MET 1 2HB MET 1 -8.657 14.226 -2.606 6 2HB MET 1 1HB MET 1 -8.063 15.094 -4.023 7 1HG MET 1 2HG MET 1 -5.861 14.037 -3.772 8 2HG MET 1 1HG MET 1 -6.417 13.194 -2.326 9 1HE MET 1 1HE MET 1 -5.361 11.041 -3.960 10 2HE MET 1 2HE MET 1 -5.140 12.325 -5.145 11 3HE MET 1 3HE MET 1 -5.967 10.841 -5.611 12 H LYS 2 H LYS 2 -6.497 18.147 -1.608 13 HA LYS 2 HA LYS 2 -4.895 18.448 -4.128 14 1HB LYS 2 2HB LYS 2 -6.397 20.427 -2.384 15 2HB LYS 2 1HB LYS 2 -5.397 20.892 -3.762 16 1HG LYS 2 2HG LYS 2 -6.809 19.726 -5.301 17 2HG LYS 2 1HG LYS 2 -7.667 18.905 -3.995 18 1HD LYS 2 2HD LYS 2 -8.666 20.978 -3.257 19 2HD LYS 2 1HD LYS 2 -7.674 21.910 -4.378 20 1HE LYS 2 2HE LYS 2 -8.784 20.846 -6.295 21 2HE LYS 2 1HE LYS 2 -9.756 19.849 -5.193 22 1HZ LYS 2 1HZ LYS 2 -9.689 22.822 -5.223 23 2HZ LYS 2 2HZ LYS 2 -10.615 21.859 -4.173 24 3HZ LYS 2 3HZ LYS 2 -10.947 21.866 -5.839 25 H LYS 3 H LYS 3 -2.835 19.495 -3.930 26 HA LYS 3 HA LYS 3 -1.825 20.213 -1.247 27 1HB LYS 3 2HB LYS 3 0.007 18.526 -1.423 28 2HB LYS 3 1HB LYS 3 -1.585 17.775 -1.334 29 1HG LYS 3 2HG LYS 3 -0.607 18.398 -4.068 30 2HG LYS 3 1HG LYS 3 0.260 17.123 -3.215 31 1HD LYS 3 2HD LYS 3 -1.613 15.751 -3.077 32 2HD LYS 3 1HD LYS 3 -2.739 17.104 -3.197 33 1HE LYS 3 2HE LYS 3 -2.928 16.180 -5.341 34 2HE LYS 3 1HE LYS 3 -1.634 17.365 -5.610 35 1HZ LYS 3 1HZ LYS 3 0.007 15.691 -5.177 36 2HZ LYS 3 2HZ LYS 3 -1.043 15.105 -6.377 37 3HZ LYS 3 3HZ LYS 3 -1.183 14.548 -4.778 38 H ASP 4 H ASP 4 0.530 20.959 -1.456 39 HA ASP 4 HA ASP 4 0.819 22.539 -3.960 40 1HB ASP 4 2HB ASP 4 1.540 22.732 -1.110 41 2HB ASP 4 1HB ASP 4 2.825 23.262 -2.194 42 HA PRO 5 HA PRO 5 4.295 20.267 -5.434 43 1HB PRO 5 2HB PRO 5 6.227 22.136 -5.954 44 2HB PRO 5 1HB PRO 5 4.773 21.945 -6.953 45 1HG PRO 5 2HG PRO 5 5.357 23.945 -4.825 46 2HG PRO 5 1HG PRO 5 4.533 24.158 -6.378 47 1HD PRO 5 2HD PRO 5 3.210 23.956 -4.014 48 2HD PRO 5 1HD PRO 5 2.520 23.425 -5.562 49 H ASN 6 H ASN 6 4.987 22.525 -2.816 50 HA ASN 6 HA ASN 6 7.500 21.203 -2.046 51 1HB ASN 6 2HB ASN 6 5.747 23.422 -0.975 52 2HB ASN 6 1HB ASN 6 7.157 22.852 -0.081 53 1HD2 ASN 6 1HD2 ASN 6 9.213 22.643 -1.677 54 2HD2 ASN 6 2HD2 ASN 6 9.459 23.989 -2.681 55 H ALA 7 H ALA 7 4.103 21.148 -1.119 56 HA ALA 7 HA ALA 7 4.315 19.826 1.413 57 1HB ALA 7 1HB ALA 7 1.948 19.271 0.965 58 2HB ALA 7 2HB ALA 7 2.172 19.686 -0.735 59 3HB ALA 7 3HB ALA 7 2.296 20.937 0.503 60 HA PRO 8 HA PRO 8 5.281 15.741 0.180 61 1HB PRO 8 2HB PRO 8 4.153 14.280 2.175 62 2HB PRO 8 1HB PRO 8 5.665 15.192 2.319 63 1HG PRO 8 2HG PRO 8 3.046 15.771 3.451 64 2HG PRO 8 1HG PRO 8 4.651 16.368 3.853 65 1HD PRO 8 2HD PRO 8 2.632 17.733 2.389 66 2HD PRO 8 1HD PRO 8 4.261 18.297 2.807 67 H LYS 9 H LYS 9 4.426 14.037 -1.052 68 HA LYS 9 HA LYS 9 1.772 14.318 -2.133 69 1HB LYS 9 2HB LYS 9 3.902 12.168 -2.223 70 2HB LYS 9 1HB LYS 9 2.409 12.063 -3.157 71 1HG LYS 9 2HG LYS 9 2.925 14.072 -4.366 72 2HG LYS 9 1HG LYS 9 4.275 14.443 -3.293 73 1HD LYS 9 2HD LYS 9 5.402 12.348 -4.050 74 2HD LYS 9 1HD LYS 9 4.088 12.091 -5.197 75 1HE LYS 9 2HE LYS 9 5.699 13.204 -6.514 76 2HE LYS 9 1HE LYS 9 4.668 14.545 -5.979 77 1HZ LYS 9 1HZ LYS 9 7.028 14.984 -5.542 78 2HZ LYS 9 2HZ LYS 9 7.107 13.594 -4.567 79 3HZ LYS 9 3HZ LYS 9 6.128 14.905 -4.106 80 H ARG 10 H ARG 10 0.397 12.149 -2.243 81 HA ARG 10 HA ARG 10 -0.752 11.709 0.351 82 1HB ARG 10 2HB ARG 10 -2.085 10.014 -0.883 83 2HB ARG 10 1HB ARG 10 -1.962 11.521 -1.788 84 1HG ARG 10 2HG ARG 10 0.233 10.230 -2.730 85 2HG ARG 10 1HG ARG 10 -0.813 8.852 -2.393 86 1HD ARG 10 2HD ARG 10 -2.324 9.426 -4.034 87 2HD ARG 10 1HD ARG 10 -2.063 11.167 -3.806 88 HE ARG 10 HE ARG 10 -0.199 11.048 -5.280 89 1HH1 ARG 10 1HH1 ARG 10 -1.820 8.900 -6.658 90 2HH1 ARG 10 2HH1 ARG 10 -0.658 7.623 -6.800 91 1HH2 ARG 10 1HH2 ARG 10 1.517 8.987 -4.468 92 2HH2 ARG 10 2HH2 ARG 10 1.231 7.672 -5.560 93 HA PRO 11 HA PRO 11 1.919 8.454 1.714 94 1HB PRO 11 2HB PRO 11 0.429 7.490 3.788 95 2HB PRO 11 1HB PRO 11 1.288 9.039 3.861 96 1HG PRO 11 2HG PRO 11 -1.590 8.495 3.531 97 2HG PRO 11 1HG PRO 11 -0.778 9.891 4.245 98 1HD PRO 11 2HD PRO 11 -1.917 9.748 1.681 99 2HD PRO 11 1HD PRO 11 -0.856 11.031 2.298 100 HA PRO 12 HA PRO 12 0.096 4.932 -0.380 101 1HB PRO 12 2HB PRO 12 2.088 3.116 0.088 102 2HB PRO 12 1HB PRO 12 2.220 4.394 -1.137 103 1HG PRO 12 2HG PRO 12 3.362 4.278 1.606 104 2HG PRO 12 1HG PRO 12 4.078 4.903 0.113 105 1HD PRO 12 2HD PRO 12 3.006 6.494 2.046 106 2HD PRO 12 1HD PRO 12 3.058 6.941 0.326 107 H SER 13 H SER 13 0.111 2.330 0.414 108 HA SER 13 HA SER 13 -0.220 2.053 3.315 109 1HB SER 13 2HB SER 13 -2.250 3.292 2.397 110 2HB SER 13 1HB SER 13 -2.644 1.814 1.523 111 HG SER 13 HG SER 13 -2.889 2.424 4.185 112 H ALA 14 H ALA 14 1.339 0.630 1.301 113 HA ALA 14 HA ALA 14 1.917 -1.596 0.863 114 1HB ALA 14 1HB ALA 14 0.355 -1.699 3.186 115 2HB ALA 14 2HB ALA 14 1.325 -3.015 2.528 116 3HB ALA 14 3HB ALA 14 -0.385 -2.890 2.115 117 H PHE 15 H PHE 15 -1.667 -1.863 0.982 118 HA PHE 15 HA PHE 15 -1.901 -3.291 -1.457 119 1HB PHE 15 2HB PHE 15 -3.635 -3.070 0.301 120 2HB PHE 15 1HB PHE 15 -3.842 -1.371 -0.125 121 HD1 PHE 15 1HD PHE 15 -3.590 -4.619 -2.007 122 HD2 PHE 15 2HD PHE 15 -5.732 -0.943 -1.409 123 HE1 PHE 15 1HE PHE 15 -5.179 -5.252 -3.802 124 HE2 PHE 15 2HE PHE 15 -7.322 -1.578 -3.203 125 HZ PHE 15 HZ PHE 15 -7.046 -3.733 -4.402 126 H PHE 16 H PHE 16 -1.492 0.150 -0.882 127 HA PHE 16 HA PHE 16 -2.434 1.038 -3.479 128 1HB PHE 16 2HB PHE 16 -2.157 2.341 -1.274 129 2HB PHE 16 1HB PHE 16 -0.439 2.414 -1.664 130 HD1 PHE 16 1HD PHE 16 -3.827 3.225 -3.010 131 HD2 PHE 16 2HD PHE 16 0.392 4.011 -3.194 132 HE1 PHE 16 1HE PHE 16 -4.249 5.134 -4.534 133 HE2 PHE 16 2HE PHE 16 -0.031 5.921 -4.719 134 HZ PHE 16 HZ PHE 16 -2.352 6.482 -5.389 135 H LEU 17 H LEU 17 0.666 -0.074 -2.208 136 HA LEU 17 HA LEU 17 2.297 0.790 -4.447 137 1HB LEU 17 2HB LEU 17 2.482 -1.310 -2.279 138 2HB LEU 17 1HB LEU 17 3.736 -1.170 -3.511 139 HG LEU 17 HG LEU 17 3.785 1.342 -2.882 140 1HD1 LEU 17 1HD1 LEU 17 1.900 1.657 -1.529 141 2HD1 LEU 17 2HD1 LEU 17 3.191 1.504 -0.338 142 3HD1 LEU 17 3HD1 LEU 17 2.137 0.133 -0.676 143 1HD2 LEU 17 1HD2 LEU 17 4.695 -0.624 -0.763 144 2HD2 LEU 17 2HD2 LEU 17 5.439 0.920 -1.182 145 3HD2 LEU 17 3HD2 LEU 17 5.512 -0.430 -2.315 146 H PHE 18 H PHE 18 1.454 -2.520 -3.562 147 HA PHE 18 HA PHE 18 1.778 -3.990 -5.842 148 1HB PHE 18 2HB PHE 18 0.883 -4.876 -3.751 149 2HB PHE 18 1HB PHE 18 -0.621 -3.985 -3.978 150 HD1 PHE 18 1HD PHE 18 1.472 -6.752 -5.318 151 HD2 PHE 18 2HD PHE 18 -2.361 -4.816 -5.391 152 HE1 PHE 18 1HE PHE 18 0.535 -8.656 -6.605 153 HE2 PHE 18 2HE PHE 18 -3.297 -6.717 -6.676 154 HZ PHE 18 HZ PHE 18 -1.854 -8.638 -7.284 155 H CYS 19 H CYS 19 -1.382 -2.294 -5.256 156 HA CYS 19 HA CYS 19 -2.402 -2.736 -7.878 157 1HB CYS 19 2HB CYS 19 -3.692 -2.060 -5.858 158 2HB CYS 19 1HB CYS 19 -2.931 -0.472 -5.928 159 HG CYS 19 HG CYS 19 -4.249 -1.045 -8.573 160 H SER 20 H SER 20 -0.656 0.064 -6.524 161 HA SER 20 HA SER 20 -0.738 1.790 -8.761 162 1HB SER 20 2HB SER 20 1.205 1.305 -6.517 163 2HB SER 20 1HB SER 20 1.566 2.511 -7.746 164 HG SER 20 HG SER 20 -0.618 2.383 -5.953 165 H GLU 21 H GLU 21 1.391 -1.001 -8.171 166 HA GLU 21 HA GLU 21 2.985 -0.388 -10.578 167 1HB GLU 21 2HB GLU 21 4.281 -2.355 -9.841 168 2HB GLU 21 1HB GLU 21 4.035 -1.220 -8.517 169 1HG GLU 21 2HG GLU 21 2.393 -2.584 -7.499 170 2HG GLU 21 1HG GLU 21 2.160 -3.541 -8.963 171 H HIS 22 H HIS 22 0.317 -2.571 -9.677 172 HA HIS 22 HA HIS 22 0.611 -4.034 -12.254 173 1HB HIS 22 2HB HIS 22 -1.000 -4.367 -9.715 174 2HB HIS 22 1HB HIS 22 -1.294 -5.359 -11.141 175 HD1 HIS 22 1HD HIS 22 1.055 -6.537 -12.099 176 HD2 HIS 22 2HD HIS 22 0.919 -5.454 -8.077 177 HE1 HIS 22 1HE HIS 22 2.867 -7.872 -10.936 178 H ARG 23 H ARG 23 -0.532 -1.132 -11.735 179 HA ARG 23 HA ARG 23 -3.332 -1.423 -12.562 180 1HB ARG 23 2HB ARG 23 -2.537 0.289 -10.958 181 2HB ARG 23 1HB ARG 23 -1.564 1.018 -12.230 182 1HG ARG 23 2HG ARG 23 -3.590 1.442 -13.560 183 2HG ARG 23 1HG ARG 23 -4.575 0.692 -12.304 184 1HD ARG 23 2HD ARG 23 -2.771 3.069 -11.759 185 2HD ARG 23 1HD ARG 23 -4.485 3.232 -12.188 186 HE ARG 23 HE ARG 23 -3.978 1.321 -10.024 187 1HH1 ARG 23 1HH1 ARG 23 -6.329 3.308 -10.689 188 2HH1 ARG 23 2HH1 ARG 23 -6.260 4.307 -9.277 189 1HH2 ARG 23 1HH2 ARG 23 -3.141 3.159 -8.291 190 2HH2 ARG 23 2HH2 ARG 23 -4.456 4.223 -7.919 191 HA PRO 24 HA PRO 24 -1.629 0.457 -16.597 192 1HB PRO 24 2HB PRO 24 1.052 0.346 -17.108 193 2HB PRO 24 1HB PRO 24 0.279 1.717 -16.290 194 1HG PRO 24 2HG PRO 24 1.881 -0.501 -15.157 195 2HG PRO 24 1HG PRO 24 1.770 1.189 -14.650 196 1HD PRO 24 2HD PRO 24 0.510 -0.925 -13.409 197 2HD PRO 24 1HD PRO 24 0.028 0.776 -13.265 198 H LYS 25 H LYS 25 -0.642 -2.507 -15.189 199 HA LYS 25 HA LYS 25 0.124 -3.832 -17.704 200 1HB LYS 25 2HB LYS 25 1.083 -4.320 -15.429 201 2HB LYS 25 1HB LYS 25 -0.496 -4.945 -14.948 202 1HG LYS 25 2HG LYS 25 -0.364 -6.770 -16.417 203 2HG LYS 25 1HG LYS 25 0.863 -5.996 -17.419 204 1HD LYS 25 2HD LYS 25 2.573 -6.389 -15.841 205 2HD LYS 25 1HD LYS 25 1.422 -6.690 -14.539 206 1HE LYS 25 2HE LYS 25 1.369 -8.488 -16.947 207 2HE LYS 25 1HE LYS 25 2.616 -8.736 -15.709 208 1HZ LYS 25 1HZ LYS 25 0.554 -9.946 -15.194 209 2HZ LYS 25 2HZ LYS 25 -0.294 -8.474 -15.161 210 3HZ LYS 25 3HZ LYS 25 0.922 -8.784 -14.016 211 H ILE 26 H ILE 26 -2.685 -3.609 -15.559 212 HA ILE 26 HA ILE 26 -4.235 -5.676 -16.902 213 HB ILE 26 HB ILE 26 -5.025 -3.381 -15.074 214 1HG1 ILE 26 2HG1 ILE 26 -3.339 -4.860 -14.058 215 2HG1 ILE 26 1HG1 ILE 26 -4.901 -5.081 -13.279 216 1HG2 ILE 26 1HG2 ILE 26 -7.070 -4.110 -15.889 217 2HG2 ILE 26 2HG2 ILE 26 -6.857 -5.221 -14.537 218 3HG2 ILE 26 3HG2 ILE 26 -6.489 -5.749 -16.178 219 1HD1 ILE 26 1HD1 ILE 26 -3.973 -7.276 -13.672 220 2HD1 ILE 26 2HD1 ILE 26 -3.623 -6.883 -15.355 221 3HD1 ILE 26 3HD1 ILE 26 -5.295 -7.049 -14.817 222 H LYS 27 H LYS 27 -3.550 -2.339 -17.587 223 HA LYS 27 HA LYS 27 -5.998 -1.778 -19.079 224 1HB LYS 27 2HB LYS 27 -3.307 -0.485 -18.657 225 2HB LYS 27 1HB LYS 27 -4.450 0.179 -19.826 226 1HG LYS 27 2HG LYS 27 -6.171 0.021 -17.872 227 2HG LYS 27 1HG LYS 27 -4.743 -0.078 -16.841 228 1HD LYS 27 2HD LYS 27 -3.949 2.052 -17.566 229 2HD LYS 27 1HD LYS 27 -5.097 2.103 -18.904 230 1HE LYS 27 2HE LYS 27 -6.929 1.975 -17.053 231 2HE LYS 27 1HE LYS 27 -5.628 2.485 -15.959 232 1HZ LYS 27 1HZ LYS 27 -6.783 4.392 -16.959 233 2HZ LYS 27 2HZ LYS 27 -6.341 3.843 -18.505 234 3HZ LYS 27 3HZ LYS 27 -5.147 4.339 -17.402 235 H SER 28 H SER 28 -3.003 -3.398 -19.793 236 HA SER 28 HA SER 28 -2.982 -2.905 -22.662 237 1HB SER 28 2HB SER 28 -1.015 -3.529 -21.248 238 2HB SER 28 1HB SER 28 -1.736 -5.117 -20.994 239 HG SER 28 HG SER 28 -0.143 -4.736 -22.818 240 H GLU 29 H GLU 29 -4.122 -5.560 -20.571 241 HA GLU 29 HA GLU 29 -5.244 -6.999 -22.913 242 1HB GLU 29 2HB GLU 29 -4.771 -7.554 -19.990 243 2HB GLU 29 1HB GLU 29 -5.812 -8.614 -20.941 244 1HG GLU 29 2HG GLU 29 -3.784 -8.547 -22.642 245 2HG GLU 29 1HG GLU 29 -2.867 -8.126 -21.196 246 H HIS 30 H HIS 30 -6.324 -4.491 -21.010 247 HA HIS 30 HA HIS 30 -9.163 -5.213 -21.516 248 1HB HIS 30 2HB HIS 30 -8.027 -4.388 -18.823 249 2HB HIS 30 1HB HIS 30 -9.735 -4.621 -19.175 250 HD1 HIS 30 1HD HIS 30 -10.607 -7.029 -19.341 251 HD2 HIS 30 2HD HIS 30 -6.486 -6.817 -18.773 252 HE1 HIS 30 1HE HIS 30 -9.839 -9.382 -18.801 253 HA PRO 31 HA PRO 31 -8.086 -0.812 -22.489 254 1HB PRO 31 2HB PRO 31 -9.655 -0.676 -24.737 255 2HB PRO 31 1HB PRO 31 -7.978 -1.261 -24.760 256 1HG PRO 31 2HG PRO 31 -10.522 -2.823 -24.701 257 2HG PRO 31 1HG PRO 31 -9.054 -3.100 -25.653 258 1HD PRO 31 2HD PRO 31 -9.592 -4.512 -23.421 259 2HD PRO 31 1HD PRO 31 -7.932 -4.080 -23.890 260 H GLY 32 H GLY 32 -9.260 0.224 -20.878 261 1HA GLY 32 2HA GLY 32 -11.276 1.671 -20.616 262 2HA GLY 32 1HA GLY 32 -12.231 0.319 -21.223 263 H LEU 33 H LEU 33 -10.251 -1.416 -19.478 264 HA LEU 33 HA LEU 33 -11.877 -2.162 -17.388 265 1HB LEU 33 2HB LEU 33 -9.420 -2.796 -18.274 266 2HB LEU 33 1HB LEU 33 -8.961 -1.921 -16.815 267 HG LEU 33 HG LEU 33 -9.219 -4.333 -16.362 268 1HD1 LEU 33 1HD1 LEU 33 -9.887 -2.476 -14.705 269 2HD1 LEU 33 2HD1 LEU 33 -10.475 -4.107 -14.378 270 3HD1 LEU 33 3HD1 LEU 33 -11.552 -2.907 -15.092 271 1HD2 LEU 33 1HD2 LEU 33 -12.146 -4.372 -16.561 272 2HD2 LEU 33 2HD2 LEU 33 -10.968 -5.561 -17.117 273 3HD2 LEU 33 3HD2 LEU 33 -11.365 -4.173 -18.129 274 H SER 34 H SER 34 -12.664 -1.237 -15.603 275 HA SER 34 HA SER 34 -11.516 1.351 -14.647 276 1HB SER 34 2HB SER 34 -13.810 1.422 -13.535 277 2HB SER 34 1HB SER 34 -13.821 1.418 -15.293 278 HG SER 34 HG SER 34 -15.274 -0.116 -14.584 279 H ILE 35 H ILE 35 -12.424 1.465 -12.105 280 HA ILE 35 HA ILE 35 -10.654 -0.349 -10.648 281 HB ILE 35 HB ILE 35 -12.658 1.748 -9.745 282 1HG1 ILE 35 2HG1 ILE 35 -10.927 2.667 -11.248 283 2HG1 ILE 35 1HG1 ILE 35 -10.681 3.233 -9.597 284 1HG2 ILE 35 1HG2 ILE 35 -12.125 0.371 -7.865 285 2HG2 ILE 35 2HG2 ILE 35 -11.108 1.804 -7.718 286 3HG2 ILE 35 3HG2 ILE 35 -10.422 0.293 -8.316 287 1HD1 ILE 35 1HD1 ILE 35 -8.530 2.562 -10.508 288 2HD1 ILE 35 2HD1 ILE 35 -9.178 0.993 -10.987 289 3HD1 ILE 35 3HD1 ILE 35 -9.004 1.390 -9.277 290 H GLY 36 H GLY 36 -13.782 -0.758 -11.835 291 1HA GLY 36 2HA GLY 36 -14.799 -2.244 -9.493 292 2HA GLY 36 1HA GLY 36 -15.682 -1.941 -10.989 293 H ASP 37 H ASP 37 -12.458 -3.056 -11.441 294 HA ASP 37 HA ASP 37 -13.249 -5.913 -11.557 295 1HB ASP 37 2HB ASP 37 -12.555 -4.104 -13.865 296 2HB ASP 37 1HB ASP 37 -12.257 -5.838 -13.970 297 H THR 38 H THR 38 -10.661 -3.602 -12.492 298 HA THR 38 HA THR 38 -8.482 -5.431 -12.157 299 HB THR 38 HB THR 38 -8.820 -2.418 -12.174 300 HG1 THR 38 1HG THR 38 -7.889 -2.672 -14.182 301 1HG2 THR 38 1HG2 THR 38 -6.395 -2.151 -12.250 302 2HG2 THR 38 2HG2 THR 38 -6.166 -3.893 -12.104 303 3HG2 THR 38 3HG2 THR 38 -6.829 -2.975 -10.752 304 H ALA 39 H ALA 39 -10.127 -3.236 -9.895 305 HA ALA 39 HA ALA 39 -8.303 -3.547 -7.683 306 1HB ALA 39 1HB ALA 39 -10.248 -2.659 -6.404 307 2HB ALA 39 2HB ALA 39 -11.279 -2.938 -7.808 308 3HB ALA 39 3HB ALA 39 -9.979 -1.749 -7.890 309 H LYS 40 H LYS 40 -11.008 -5.445 -8.900 310 HA LYS 40 HA LYS 40 -11.200 -7.172 -6.542 311 1HB LYS 40 2HB LYS 40 -12.354 -7.041 -9.322 312 2HB LYS 40 1HB LYS 40 -12.599 -8.484 -8.337 313 1HG LYS 40 2HG LYS 40 -13.370 -6.851 -6.485 314 2HG LYS 40 1HG LYS 40 -13.503 -5.661 -7.781 315 1HD LYS 40 2HD LYS 40 -15.144 -6.937 -8.932 316 2HD LYS 40 1HD LYS 40 -14.801 -8.381 -7.978 317 1HE LYS 40 2HE LYS 40 -15.529 -6.920 -5.934 318 2HE LYS 40 1HE LYS 40 -16.306 -5.900 -7.162 319 1HZ LYS 40 1HZ LYS 40 -16.649 -8.843 -6.919 320 2HZ LYS 40 2HZ LYS 40 -17.413 -7.836 -8.055 321 3HZ LYS 40 3HZ LYS 40 -17.781 -7.691 -6.403 322 H LYS 41 H LYS 41 -9.544 -7.205 -9.660 323 HA LYS 41 HA LYS 41 -8.666 -10.002 -9.401 324 1HB LYS 41 2HB LYS 41 -9.208 -8.630 -11.522 325 2HB LYS 41 1HB LYS 41 -7.630 -7.878 -11.285 326 1HG LYS 41 2HG LYS 41 -6.500 -9.989 -11.479 327 2HG LYS 41 1HG LYS 41 -8.023 -10.876 -11.412 328 1HD LYS 41 2HD LYS 41 -8.719 -9.813 -13.543 329 2HD LYS 41 1HD LYS 41 -7.165 -8.981 -13.620 330 1HE LYS 41 2HE LYS 41 -5.973 -11.101 -13.767 331 2HE LYS 41 1HE LYS 41 -7.482 -12.004 -13.527 332 1HZ LYS 41 1HZ LYS 41 -6.951 -10.093 -15.742 333 2HZ LYS 41 2HZ LYS 41 -8.391 -10.962 -15.503 334 3HZ LYS 41 3HZ LYS 41 -6.955 -11.783 -15.889 335 H LEU 42 H LEU 42 -7.494 -6.849 -8.476 336 HA LEU 42 HA LEU 42 -4.680 -7.673 -8.202 337 1HB LEU 42 2HB LEU 42 -6.366 -5.254 -8.014 338 2HB LEU 42 1HB LEU 42 -5.012 -5.282 -6.889 339 HG LEU 42 HG LEU 42 -3.472 -5.758 -8.773 340 1HD1 LEU 42 1HD1 LEU 42 -5.793 -5.155 -10.609 341 2HD1 LEU 42 2HD1 LEU 42 -5.366 -6.809 -10.177 342 3HD1 LEU 42 3HD1 LEU 42 -4.205 -5.793 -11.031 343 1HD2 LEU 42 1HD2 LEU 42 -5.131 -3.368 -9.531 344 2HD2 LEU 42 2HD2 LEU 42 -3.375 -3.533 -9.500 345 3HD2 LEU 42 3HD2 LEU 42 -4.277 -3.408 -7.990 346 H GLY 43 H GLY 43 -7.226 -6.531 -5.941 347 1HA GLY 43 2HA GLY 43 -5.883 -7.097 -3.523 348 2HA GLY 43 1HA GLY 43 -7.643 -7.101 -3.693 349 H GLU 44 H GLU 44 -7.522 -9.256 -5.747 350 HA GLU 44 HA GLU 44 -7.663 -11.553 -3.975 351 1HB GLU 44 2HB GLU 44 -9.020 -11.200 -6.051 352 2HB GLU 44 1HB GLU 44 -7.547 -11.357 -7.009 353 1HG GLU 44 2HG GLU 44 -8.392 -13.534 -7.078 354 2HG GLU 44 1HG GLU 44 -7.274 -13.626 -5.717 355 H MET 45 H MET 45 -5.312 -10.254 -6.284 356 HA MET 45 HA MET 45 -3.465 -12.517 -6.007 357 1HB MET 45 2HB MET 45 -3.629 -9.890 -7.441 358 2HB MET 45 1HB MET 45 -2.038 -10.626 -7.245 359 1HG MET 45 2HG MET 45 -2.762 -12.651 -8.349 360 2HG MET 45 1HG MET 45 -4.434 -12.093 -8.379 361 1HE MET 45 1HE MET 45 -0.956 -11.894 -9.479 362 2HE MET 45 2HE MET 45 -0.947 -10.138 -9.332 363 3HE MET 45 3HE MET 45 -0.883 -10.881 -10.928 364 H TRP 46 H TRP 46 -3.664 -9.132 -4.867 365 HA TRP 46 HA TRP 46 -1.194 -8.856 -3.522 366 1HB TRP 46 2HB TRP 46 -2.775 -7.049 -3.828 367 2HB TRP 46 1HB TRP 46 -4.003 -7.875 -2.882 368 HD1 TRP 46 HD TRP 46 -4.200 -6.848 -0.559 369 HE1 TRP 46 1HE TRP 46 -2.572 -5.794 1.143 370 HE3 TRP 46 3HE TRP 46 0.152 -7.231 -3.170 371 HZ2 TRP 46 2HZ TRP 46 0.224 -5.193 1.354 372 HZ3 TRP 46 3HZ TRP 46 2.282 -6.409 -2.210 373 HH2 TRP 46 HH TRP 46 2.319 -5.401 0.040 374 H SER 47 H SER 47 -4.279 -10.119 -2.177 375 HA SER 47 HA SER 47 -3.232 -10.868 0.382 376 1HB SER 47 2HB SER 47 -5.658 -10.620 -0.543 377 2HB SER 47 1HB SER 47 -5.464 -12.291 -1.066 378 HG SER 47 HG SER 47 -5.747 -11.226 1.463 379 H GLU 48 H GLU 48 -2.642 -12.237 -2.723 380 HA GLU 48 HA GLU 48 -1.949 -14.892 -1.584 381 1HB GLU 48 2HB GLU 48 -2.759 -13.758 -4.230 382 2HB GLU 48 1HB GLU 48 -1.715 -15.180 -4.234 383 1HG GLU 48 2HG GLU 48 -4.227 -15.068 -2.561 384 2HG GLU 48 1HG GLU 48 -4.254 -15.608 -4.240 385 H GLN 49 H GLN 49 -0.525 -11.898 -2.619 386 HA GLN 49 HA GLN 49 1.924 -12.798 -3.756 387 1HB GLN 49 2HB GLN 49 1.205 -10.398 -2.034 388 2HB GLN 49 1HB GLN 49 2.733 -10.554 -2.894 389 1HG GLN 49 2HG GLN 49 -0.024 -10.493 -4.149 390 2HG GLN 49 1HG GLN 49 1.168 -9.205 -4.205 391 1HE2 GLN 49 1HE2 GLN 49 -0.076 -11.074 -6.370 392 2HE2 GLN 49 2HE2 GLN 49 1.279 -11.635 -7.222 393 H SER 50 H SER 50 3.871 -13.397 -2.791 394 HA SER 50 HA SER 50 3.743 -14.299 0.026 395 1HB SER 50 2HB SER 50 5.731 -15.548 -0.608 396 2HB SER 50 1HB SER 50 4.575 -15.688 -1.930 397 HG SER 50 HG SER 50 6.731 -15.128 -2.598 398 H ALA 51 H ALA 51 6.704 -13.980 0.312 399 HA ALA 51 HA ALA 51 6.703 -11.253 1.367 400 1HB ALA 51 1HB ALA 51 7.844 -12.883 2.645 401 2HB ALA 51 2HB ALA 51 9.153 -12.010 1.848 402 3HB ALA 51 3HB ALA 51 8.628 -13.575 1.225 403 H LYS 52 H LYS 52 7.189 -12.420 -1.760 404 HA LYS 52 HA LYS 52 9.469 -10.728 -2.499 405 1HB LYS 52 2HB LYS 52 8.676 -12.981 -3.493 406 2HB LYS 52 1HB LYS 52 7.438 -12.035 -4.320 407 1HG LYS 52 2HG LYS 52 9.216 -12.122 -5.876 408 2HG LYS 52 1HG LYS 52 9.394 -10.540 -5.117 409 1HD LYS 52 2HD LYS 52 11.202 -11.254 -3.775 410 2HD LYS 52 1HD LYS 52 10.828 -12.959 -4.028 411 1HE LYS 52 2HE LYS 52 11.639 -12.919 -6.269 412 2HE LYS 52 1HE LYS 52 11.647 -11.144 -6.312 413 1HZ LYS 52 1HZ LYS 52 13.287 -11.143 -4.534 414 2HZ LYS 52 2HZ LYS 52 13.868 -12.007 -5.876 415 3HZ LYS 52 3HZ LYS 52 13.296 -12.838 -4.510 416 H ASP 53 H ASP 53 5.931 -10.679 -2.922 417 HA ASP 53 HA ASP 53 6.128 -7.785 -3.698 418 1HB ASP 53 2HB ASP 53 5.054 -10.050 -5.068 419 2HB ASP 53 1HB ASP 53 3.686 -9.061 -4.563 420 H LYS 54 H LYS 54 6.041 -8.173 -1.089 421 HA LYS 54 HA LYS 54 3.477 -7.103 -0.242 422 1HB LYS 54 2HB LYS 54 3.539 -9.806 -0.605 423 2HB LYS 54 1HB LYS 54 3.990 -9.685 1.089 424 1HG LYS 54 2HG LYS 54 1.967 -8.051 1.273 425 2HG LYS 54 1HG LYS 54 1.479 -8.727 -0.274 426 1HD LYS 54 2HD LYS 54 0.372 -9.950 1.512 427 2HD LYS 54 1HD LYS 54 1.545 -11.001 0.719 428 1HE LYS 54 2HE LYS 54 2.987 -11.001 2.547 429 2HE LYS 54 1HE LYS 54 2.439 -9.407 3.104 430 1HZ LYS 54 1HZ LYS 54 0.939 -11.965 3.222 431 2HZ LYS 54 2HZ LYS 54 0.227 -10.449 3.509 432 3HZ LYS 54 3HZ LYS 54 1.459 -11.020 4.530 433 H GLN 55 H GLN 55 6.525 -8.653 0.756 434 HA GLN 55 HA GLN 55 6.474 -7.690 3.487 435 1HB GLN 55 2HB GLN 55 8.357 -8.991 1.595 436 2HB GLN 55 1HB GLN 55 9.093 -8.131 2.944 437 1HG GLN 55 2HG GLN 55 6.889 -10.192 3.240 438 2HG GLN 55 1HG GLN 55 8.606 -10.540 3.452 439 1HE2 GLN 55 1HE2 GLN 55 5.799 -9.053 4.941 440 2HE2 GLN 55 2HE2 GLN 55 6.556 -8.633 6.401 441 HA PRO 56 HA PRO 56 9.381 -4.225 1.932 442 1HB PRO 56 2HB PRO 56 9.721 -3.885 -0.760 443 2HB PRO 56 1HB PRO 56 10.761 -4.936 0.222 444 1HG PRO 56 2HG PRO 56 8.485 -5.655 -1.559 445 2HG PRO 56 1HG PRO 56 10.032 -6.480 -1.317 446 1HD PRO 56 2HD PRO 56 7.708 -7.306 -0.189 447 2HD PRO 56 1HD PRO 56 9.301 -7.590 0.544 448 H TYR 57 H TYR 57 6.304 -4.982 0.663 449 HA TYR 57 HA TYR 57 5.711 -2.308 -0.414 450 1HB TYR 57 2HB TYR 57 4.237 -4.911 0.016 451 2HB TYR 57 1HB TYR 57 3.392 -3.463 -0.533 452 HD1 TYR 57 1HD TYR 57 6.514 -5.412 -1.309 453 HD2 TYR 57 2HD TYR 57 3.220 -3.111 -2.826 454 HE1 TYR 57 1HE TYR 57 7.284 -5.837 -3.627 455 HE2 TYR 57 2HE TYR 57 3.990 -3.536 -5.144 456 HH TYR 57 HH TYR 57 6.533 -4.151 -6.150 457 H GLU 58 H GLU 58 4.945 -4.255 2.469 458 HA GLU 58 HA GLU 58 3.214 -2.183 3.618 459 1HB GLU 58 2HB GLU 58 3.148 -3.782 5.519 460 2HB GLU 58 1HB GLU 58 2.825 -4.579 3.982 461 1HG GLU 58 2HG GLU 58 4.694 -5.857 4.117 462 2HG GLU 58 1HG GLU 58 5.683 -4.511 4.676 463 H GLN 59 H GLN 59 6.615 -2.963 3.695 464 HA GLN 59 HA GLN 59 7.213 -1.581 6.197 465 1HB GLN 59 2HB GLN 59 8.863 -2.550 3.842 466 2HB GLN 59 1HB GLN 59 9.565 -1.892 5.319 467 1HG GLN 59 2HG GLN 59 7.620 -4.207 5.342 468 2HG GLN 59 1HG GLN 59 9.365 -4.437 5.226 469 1HE2 GLN 59 1HE2 GLN 59 6.773 -3.899 7.431 470 2HE2 GLN 59 2HE2 GLN 59 7.715 -3.613 8.814 471 H LYS 60 H LYS 60 8.414 -0.837 2.906 472 HA LYS 60 HA LYS 60 9.174 1.811 3.279 473 1HB LYS 60 2HB LYS 60 9.498 0.367 1.270 474 2HB LYS 60 1HB LYS 60 7.806 0.627 0.845 475 1HG LYS 60 2HG LYS 60 8.517 3.186 1.130 476 2HG LYS 60 1HG LYS 60 10.105 2.530 0.729 477 1HD LYS 60 2HD LYS 60 9.018 1.392 -1.260 478 2HD LYS 60 1HD LYS 60 7.567 2.334 -0.911 479 1HE LYS 60 2HE LYS 60 8.568 4.353 -1.511 480 2HE LYS 60 1HE LYS 60 10.204 3.762 -1.158 481 1HZ LYS 60 1HZ LYS 60 10.026 2.233 -3.013 482 2HZ LYS 60 2HZ LYS 60 9.781 3.826 -3.552 483 3HZ LYS 60 3HZ LYS 60 8.457 2.779 -3.354 484 H ALA 61 H ALA 61 5.871 0.611 3.060 485 HA ALA 61 HA ALA 61 4.762 3.317 2.614 486 1HB ALA 61 1HB ALA 61 3.455 0.626 3.136 487 2HB ALA 61 2HB ALA 61 3.838 1.266 1.538 488 3HB ALA 61 3HB ALA 61 2.639 2.076 2.548 489 H ALA 62 H ALA 62 5.030 0.877 5.177 490 HA ALA 62 HA ALA 62 3.357 2.163 7.123 491 1HB ALA 62 1HB ALA 62 4.785 0.730 8.692 492 2HB ALA 62 2HB ALA 62 5.716 0.264 7.267 493 3HB ALA 62 3HB ALA 62 4.001 -0.140 7.372 494 H LYS 63 H LYS 63 6.799 2.529 6.292 495 HA LYS 63 HA LYS 63 7.296 4.402 8.506 496 1HB LYS 63 2HB LYS 63 8.802 2.632 7.121 497 2HB LYS 63 1HB LYS 63 9.159 4.096 6.204 498 1HG LYS 63 2HG LYS 63 10.129 5.169 8.034 499 2HG LYS 63 1HG LYS 63 9.263 4.172 9.204 500 1HD LYS 63 2HD LYS 63 11.436 3.292 9.299 501 2HD LYS 63 1HD LYS 63 10.631 2.203 8.169 502 1HE LYS 63 2HE LYS 63 11.488 4.051 6.405 503 2HE LYS 63 1HE LYS 63 12.745 4.239 7.645 504 1HZ LYS 63 1HZ LYS 63 13.366 2.466 6.154 505 2HZ LYS 63 2HZ LYS 63 11.872 1.690 6.388 506 3HZ LYS 63 3HZ LYS 63 12.982 1.806 7.669 507 H LEU 64 H LEU 64 5.912 4.642 5.394 508 HA LEU 64 HA LEU 64 6.825 7.443 4.966 509 1HB LEU 64 2HB LEU 64 5.711 5.197 3.381 510 2HB LEU 64 1HB LEU 64 5.140 6.798 2.909 511 HG LEU 64 HG LEU 64 8.067 6.113 3.272 512 1HD1 LEU 64 1HD1 LEU 64 6.800 6.528 0.590 513 2HD1 LEU 64 2HD1 LEU 64 6.643 4.948 1.359 514 3HD1 LEU 64 3HD1 LEU 64 8.243 5.607 1.015 515 1HD2 LEU 64 1HD2 LEU 64 6.517 8.478 2.212 516 2HD2 LEU 64 2HD2 LEU 64 8.202 8.210 1.765 517 3HD2 LEU 64 3HD2 LEU 64 7.768 8.457 3.456 518 H LYS 65 H LYS 65 4.000 5.492 5.760 519 HA LYS 65 HA LYS 65 2.024 7.595 5.525 520 1HB LYS 65 2HB LYS 65 1.552 5.162 5.466 521 2HB LYS 65 1HB LYS 65 2.083 5.019 7.141 522 1HG LYS 65 2HG LYS 65 0.299 6.778 7.696 523 2HG LYS 65 1HG LYS 65 -0.333 6.491 6.073 524 1HD LYS 65 2HD LYS 65 -0.373 4.005 6.686 525 2HD LYS 65 1HD LYS 65 -0.109 4.520 8.353 526 1HE LYS 65 2HE LYS 65 -2.142 6.066 8.039 527 2HE LYS 65 1HE LYS 65 -2.481 5.122 6.574 528 1HZ LYS 65 1HZ LYS 65 -2.051 3.986 9.287 529 2HZ LYS 65 2HZ LYS 65 -2.395 3.101 7.879 530 3HZ LYS 65 3HZ LYS 65 -3.559 4.153 8.530 531 H GLU 66 H GLU 66 3.672 6.122 8.344 532 HA GLU 66 HA GLU 66 2.580 7.858 10.338 533 1HB GLU 66 2HB GLU 66 3.824 5.651 10.588 534 2HB GLU 66 1HB GLU 66 5.316 6.553 10.316 535 1HG GLU 66 2HG GLU 66 4.781 8.008 12.245 536 2HG GLU 66 1HG GLU 66 3.310 7.077 12.529 537 H LYS 67 H LYS 67 5.318 8.224 8.141 538 HA LYS 67 HA LYS 67 6.468 10.545 9.475 539 1HB LYS 67 2HB LYS 67 6.782 9.059 6.886 540 2HB LYS 67 1HB LYS 67 7.535 10.646 7.050 541 1HG LYS 67 2HG LYS 67 8.414 9.690 9.331 542 2HG LYS 67 1HG LYS 67 8.090 8.125 8.587 543 1HD LYS 67 2HD LYS 67 9.496 8.764 6.651 544 2HD LYS 67 1HD LYS 67 9.845 10.309 7.428 545 1HE LYS 67 2HE LYS 67 10.582 8.745 9.453 546 2HE LYS 67 1HE LYS 67 10.827 7.572 8.143 547 1HZ LYS 67 1HZ LYS 67 12.098 9.241 6.937 548 2HZ LYS 67 2HZ LYS 67 12.802 8.937 8.453 549 3HZ LYS 67 3HZ LYS 67 11.890 10.348 8.204 550 H TYR 68 H TYR 68 3.947 10.035 7.099 551 HA TYR 68 HA TYR 68 3.879 12.701 5.961 552 1HB TYR 68 2HB TYR 68 2.902 10.499 5.102 553 2HB TYR 68 1HB TYR 68 1.620 10.704 6.291 554 HD1 TYR 68 1HD TYR 68 3.394 12.956 3.847 555 HD2 TYR 68 2HD TYR 68 -0.347 11.502 5.378 556 HE1 TYR 68 1HE TYR 68 2.170 14.427 2.267 557 HE2 TYR 68 2HE TYR 68 -1.568 12.975 3.803 558 HH TYR 68 HH TYR 68 -0.819 14.064 1.357 559 H GLU 69 H GLU 69 2.269 11.122 8.673 560 HA GLU 69 HA GLU 69 0.363 13.107 9.372 561 1HB GLU 69 2HB GLU 69 1.968 11.141 11.037 562 2HB GLU 69 1HB GLU 69 0.564 12.021 11.642 563 1HG GLU 69 2HG GLU 69 -0.689 11.061 9.603 564 2HG GLU 69 1HG GLU 69 0.669 9.945 9.454 565 H LYS 70 H LYS 70 3.813 12.844 10.222 566 HA LYS 70 HA LYS 70 3.706 15.247 11.935 567 1HB LYS 70 2HB LYS 70 5.876 13.358 10.962 568 2HB LYS 70 1HB LYS 70 6.208 14.734 12.016 569 1HG LYS 70 2HG LYS 70 4.792 13.846 13.750 570 2HG LYS 70 1HG LYS 70 4.184 12.581 12.682 571 1HD LYS 70 2HD LYS 70 6.660 11.848 12.473 572 2HD LYS 70 1HD LYS 70 6.930 12.845 13.903 573 1HE LYS 70 2HE LYS 70 5.343 11.543 15.196 574 2HE LYS 70 1HE LYS 70 4.852 10.632 13.754 575 1HZ LYS 70 1HZ LYS 70 6.526 9.413 15.012 576 2HZ LYS 70 2HZ LYS 70 7.598 10.727 14.892 577 3HZ LYS 70 3HZ LYS 70 7.135 9.874 13.497 578 H ASP 71 H ASP 71 4.866 14.239 8.764 579 HA ASP 71 HA ASP 71 6.228 16.632 7.971 580 1HB ASP 71 2HB ASP 71 5.035 14.209 6.763 581 2HB ASP 71 1HB ASP 71 5.130 15.582 5.672 582 H ILE 72 H ILE 72 2.925 15.538 7.195 583 HA ILE 72 HA ILE 72 2.000 17.944 5.997 584 HB ILE 72 HB ILE 72 0.694 15.617 7.431 585 1HG1 ILE 72 2HG1 ILE 72 1.817 15.170 5.288 586 2HG1 ILE 72 1HG1 ILE 72 0.074 14.977 5.139 587 1HG2 ILE 72 1HG2 ILE 72 -1.432 16.441 6.207 588 2HG2 ILE 72 2HG2 ILE 72 -0.626 18.009 6.139 589 3HG2 ILE 72 3HG2 ILE 72 -0.983 17.268 7.698 590 1HD1 ILE 72 1HD1 ILE 72 0.045 17.424 4.325 591 2HD1 ILE 72 2HD1 ILE 72 0.703 16.223 3.216 592 3HD1 ILE 72 3HD1 ILE 72 1.790 17.256 4.142 593 H ALA 73 H ALA 73 1.644 16.853 9.421 594 HA ALA 73 HA ALA 73 0.137 18.972 10.454 595 1HB ALA 73 1HB ALA 73 0.809 16.971 11.691 596 2HB ALA 73 2HB ALA 73 1.310 18.407 12.585 597 3HB ALA 73 3HB ALA 73 2.495 17.488 11.656 598 H ALA 74 H ALA 74 3.722 18.866 10.414 599 HA ALA 74 HA ALA 74 4.122 21.535 11.356 600 1HB ALA 74 1HB ALA 74 6.423 21.142 10.440 601 2HB ALA 74 2HB ALA 74 5.820 19.686 9.649 602 3HB ALA 74 3HB ALA 74 5.833 19.792 11.409 603 H TYR 75 H TYR 75 3.360 20.271 8.187 604 HA TYR 75 HA TYR 75 4.071 22.822 6.848 605 1HB TYR 75 2HB TYR 75 4.389 20.302 6.075 606 2HB TYR 75 1HB TYR 75 2.725 20.494 5.522 607 HD1 TYR 75 1HD TYR 75 6.210 21.522 5.040 608 HD2 TYR 75 2HD TYR 75 2.146 22.182 3.815 609 HE1 TYR 75 1HE TYR 75 7.012 22.771 3.053 610 HE2 TYR 75 2HE TYR 75 2.949 23.431 1.828 611 HH TYR 75 HH TYR 75 5.687 24.771 1.484 612 H ARG 76 H ARG 76 1.326 21.343 8.347 613 HA ARG 76 HA ARG 76 -0.701 22.598 6.645 614 1HB ARG 76 2HB ARG 76 -0.599 20.486 8.370 615 2HB ARG 76 1HB ARG 76 -1.355 21.705 9.394 616 1HG ARG 76 2HG ARG 76 -2.330 21.211 6.584 617 2HG ARG 76 1HG ARG 76 -2.908 20.234 7.935 618 1HD ARG 76 2HD ARG 76 -4.473 21.897 8.147 619 2HD ARG 76 1HD ARG 76 -3.161 22.780 8.954 620 HE ARG 76 HE ARG 76 -2.565 23.653 6.632 621 1HH1 ARG 76 1HH1 ARG 76 -5.052 24.970 7.669 622 2HH1 ARG 76 2HH1 ARG 76 -6.139 24.792 6.332 623 1HH2 ARG 76 1HH2 ARG 76 -4.248 22.337 4.776 624 2HH2 ARG 76 2HH2 ARG 76 -5.684 23.303 4.694 625 H ALA 77 H ALA 77 1.320 23.750 9.180 626 HA ALA 77 HA ALA 77 0.121 26.367 9.202 627 1HB ALA 77 1HB ALA 77 -1.665 25.334 10.435 628 2HB ALA 77 2HB ALA 77 -0.682 26.183 11.628 629 3HB ALA 77 3HB ALA 77 -0.532 24.435 11.446 630 H LYS 78 H LYS 78 2.289 27.110 9.098 631 HA LYS 78 HA LYS 78 3.906 26.691 11.589 632 1HB LYS 78 2HB LYS 78 4.597 25.338 9.538 633 2HB LYS 78 1HB LYS 78 4.987 26.874 8.764 634 1HG LYS 78 2HG LYS 78 6.521 27.401 10.658 635 2HG LYS 78 1HG LYS 78 6.187 25.807 11.337 636 1HD LYS 78 2HD LYS 78 6.967 24.818 9.137 637 2HD LYS 78 1HD LYS 78 7.517 26.433 8.690 638 1HE LYS 78 2HE LYS 78 8.380 25.158 11.294 639 2HE LYS 78 1HE LYS 78 9.272 24.887 9.784 640 1HZ LYS 78 1HZ LYS 78 8.557 27.550 10.895 641 2HZ LYS 78 2HZ LYS 78 9.440 27.264 9.471 642 3HZ LYS 78 3HZ LYS 78 10.097 26.845 10.981 Start of MODEL 6 1 1H MET 1 1HT MET 1 -9.090 20.491 -1.387 2 2H MET 1 2HT MET 1 -9.310 18.910 -0.806 3 3H MET 1 3HT MET 1 -8.512 19.172 -2.283 4 HA MET 1 HA MET 1 -7.507 20.001 0.395 5 1HB MET 1 2HB MET 1 -7.073 17.693 -1.490 6 2HB MET 1 1HB MET 1 -5.778 18.194 -0.400 7 1HG MET 1 2HG MET 1 -7.472 18.041 1.492 8 2HG MET 1 1HG MET 1 -8.557 17.255 0.345 9 1HE MET 1 1HE MET 1 -8.026 15.079 -0.944 10 2HE MET 1 2HE MET 1 -8.861 14.919 0.600 11 3HE MET 1 3HE MET 1 -7.598 13.770 0.166 12 H LYS 2 H LYS 2 -5.115 20.566 0.147 13 HA LYS 2 HA LYS 2 -4.404 21.679 -2.527 14 1HB LYS 2 2HB LYS 2 -5.672 23.265 -0.841 15 2HB LYS 2 1HB LYS 2 -4.099 23.355 -0.050 16 1HG LYS 2 2HG LYS 2 -4.018 25.143 -1.573 17 2HG LYS 2 1HG LYS 2 -3.185 23.851 -2.438 18 1HD LYS 2 2HD LYS 2 -5.062 23.397 -3.806 19 2HD LYS 2 1HD LYS 2 -6.157 24.278 -2.739 20 1HE LYS 2 2HE LYS 2 -5.808 25.775 -4.552 21 2HE LYS 2 1HE LYS 2 -4.672 26.353 -3.317 22 1HZ LYS 2 1HZ LYS 2 -3.566 26.042 -5.460 23 2HZ LYS 2 2HZ LYS 2 -4.031 24.408 -5.472 24 3HZ LYS 2 3HZ LYS 2 -2.949 24.977 -4.292 25 H LYS 3 H LYS 3 -2.585 20.344 -2.738 26 HA LYS 3 HA LYS 3 -0.609 20.282 -0.495 27 1HB LYS 3 2HB LYS 3 -1.433 18.530 -2.757 28 2HB LYS 3 1HB LYS 3 0.277 18.491 -2.322 29 1HG LYS 3 2HG LYS 3 -0.768 16.809 -0.985 30 2HG LYS 3 1HG LYS 3 -0.484 18.174 0.096 31 1HD LYS 3 2HD LYS 3 -2.830 18.940 -0.343 32 2HD LYS 3 1HD LYS 3 -3.093 17.467 -1.275 33 1HE LYS 3 2HE LYS 3 -2.080 17.347 1.574 34 2HE LYS 3 1HE LYS 3 -3.816 17.400 1.205 35 1HZ LYS 3 1HZ LYS 3 -2.990 15.112 1.274 36 2HZ LYS 3 2HZ LYS 3 -1.871 15.471 0.047 37 3HZ LYS 3 3HZ LYS 3 -3.538 15.522 -0.277 38 H ASP 4 H ASP 4 1.551 20.930 -0.872 39 HA ASP 4 HA ASP 4 1.964 22.659 -3.271 40 1HB ASP 4 2HB ASP 4 2.788 22.589 -0.432 41 2HB ASP 4 1HB ASP 4 4.063 23.080 -1.547 42 HA PRO 5 HA PRO 5 5.089 20.028 -4.920 43 1HB PRO 5 2HB PRO 5 7.197 21.682 -5.482 44 2HB PRO 5 1HB PRO 5 5.691 21.681 -6.424 45 1HG PRO 5 2HG PRO 5 6.585 23.554 -4.290 46 2HG PRO 5 1HG PRO 5 5.719 23.889 -5.796 47 1HD PRO 5 2HD PRO 5 4.501 23.772 -3.365 48 2HD PRO 5 1HD PRO 5 3.678 23.383 -4.890 49 H ASN 6 H ASN 6 6.136 22.135 -2.289 50 HA ASN 6 HA ASN 6 8.491 20.476 -1.649 51 1HB ASN 6 2HB ASN 6 7.157 22.960 -0.570 52 2HB ASN 6 1HB ASN 6 8.464 22.179 0.321 53 1HD2 ASN 6 1HD2 ASN 6 10.447 21.615 -1.259 54 2HD2 ASN 6 2HD2 ASN 6 10.896 22.870 -2.309 55 H ALA 7 H ALA 7 5.188 20.967 -0.513 56 HA ALA 7 HA ALA 7 5.425 19.526 1.986 57 1HB ALA 7 1HB ALA 7 3.599 21.148 0.816 58 2HB ALA 7 2HB ALA 7 3.194 20.062 2.146 59 3HB ALA 7 3HB ALA 7 2.858 19.583 0.482 60 HA PRO 8 HA PRO 8 5.198 15.441 0.419 61 1HB PRO 8 2HB PRO 8 4.190 14.117 2.572 62 2HB PRO 8 1HB PRO 8 5.869 14.663 2.415 63 1HG PRO 8 2HG PRO 8 3.754 15.697 4.110 64 2HG PRO 8 1HG PRO 8 5.497 15.932 4.146 65 1HD PRO 8 2HD PRO 8 3.524 17.757 3.177 66 2HD PRO 8 1HD PRO 8 5.280 17.980 3.288 67 H LYS 9 H LYS 9 3.741 14.212 -0.772 68 HA LYS 9 HA LYS 9 0.925 15.064 -0.822 69 1HB LYS 9 2HB LYS 9 2.622 13.094 -2.376 70 2HB LYS 9 1HB LYS 9 0.923 13.401 -2.738 71 1HG LYS 9 2HG LYS 9 1.871 14.956 -4.148 72 2HG LYS 9 1HG LYS 9 1.766 15.938 -2.687 73 1HD LYS 9 2HD LYS 9 4.036 15.811 -2.268 74 2HD LYS 9 1HD LYS 9 4.201 14.245 -3.063 75 1HE LYS 9 2HE LYS 9 3.539 15.643 -5.230 76 2HE LYS 9 1HE LYS 9 4.198 16.986 -4.274 77 1HZ LYS 9 1HZ LYS 9 5.550 14.395 -4.818 78 2HZ LYS 9 2HZ LYS 9 6.163 15.624 -3.818 79 3HZ LYS 9 3HZ LYS 9 5.971 15.896 -5.484 80 H ARG 10 H ARG 10 -0.480 12.884 -1.403 81 HA ARG 10 HA ARG 10 -1.099 11.657 1.083 82 1HB ARG 10 2HB ARG 10 -2.500 10.172 -0.321 83 2HB ARG 10 1HB ARG 10 -2.617 11.846 -0.854 84 1HG ARG 10 2HG ARG 10 -0.790 11.309 -2.549 85 2HG ARG 10 1HG ARG 10 -1.017 9.613 -2.124 86 1HD ARG 10 2HD ARG 10 -3.358 11.344 -2.948 87 2HD ARG 10 1HD ARG 10 -2.374 10.471 -4.141 88 HE ARG 10 HE ARG 10 -2.855 8.416 -2.602 89 1HH1 ARG 10 1HH2 ARG 10 -4.709 10.100 -0.860 90 2HH1 ARG 10 2HH2 ARG 10 -6.257 9.664 -1.502 91 1HH2 ARG 10 1HH1 ARG 10 -4.960 8.275 -4.402 92 2HH2 ARG 10 2HH1 ARG 10 -6.399 8.631 -3.507 93 HA PRO 11 HA PRO 11 2.310 8.730 1.113 94 1HB PRO 11 2HB PRO 11 1.649 7.423 3.423 95 2HB PRO 11 1HB PRO 11 2.430 9.017 3.406 96 1HG PRO 11 2HG PRO 11 -0.424 8.312 3.848 97 2HG PRO 11 1HG PRO 11 0.564 9.561 4.620 98 1HD PRO 11 2HD PRO 11 -1.247 10.067 2.637 99 2HD PRO 11 1HD PRO 11 0.179 11.077 2.957 100 HA PRO 12 HA PRO 12 0.402 5.124 -0.590 101 1HB PRO 12 2HB PRO 12 2.263 3.190 -0.052 102 2HB PRO 12 1HB PRO 12 2.496 4.432 -1.298 103 1HG PRO 12 2HG PRO 12 3.593 4.295 1.464 104 2HG PRO 12 1HG PRO 12 4.364 4.848 -0.030 105 1HD PRO 12 2HD PRO 12 3.365 6.538 1.862 106 2HD PRO 12 1HD PRO 12 3.476 6.951 0.137 107 H SER 13 H SER 13 0.248 2.543 0.234 108 HA SER 13 HA SER 13 -0.178 2.330 3.131 109 1HB SER 13 2HB SER 13 -2.119 3.645 2.202 110 2HB SER 13 1HB SER 13 -2.532 2.238 1.226 111 HG SER 13 HG SER 13 -2.848 1.069 3.108 112 H ALA 14 H ALA 14 1.366 0.815 1.165 113 HA ALA 14 HA ALA 14 1.867 -1.440 0.782 114 1HB ALA 14 1HB ALA 14 -0.528 -2.610 1.989 115 2HB ALA 14 2HB ALA 14 0.246 -1.445 3.063 116 3HB ALA 14 3HB ALA 14 1.164 -2.818 2.442 117 H PHE 15 H PHE 15 -1.722 -1.543 0.797 118 HA PHE 15 HA PHE 15 -1.921 -2.999 -1.643 119 1HB PHE 15 2HB PHE 15 -3.697 -2.787 0.054 120 2HB PHE 15 1HB PHE 15 -3.853 -1.069 -0.310 121 HD1 PHE 15 1HD PHE 15 -3.686 -4.276 -2.272 122 HD2 PHE 15 2HD PHE 15 -5.671 -0.517 -1.649 123 HE1 PHE 15 1HE PHE 15 -5.256 -4.799 -4.119 124 HE2 PHE 15 2HE PHE 15 -7.242 -1.041 -3.495 125 HZ PHE 15 HZ PHE 15 -7.033 -3.181 -4.732 126 H PHE 16 H PHE 16 -1.404 0.422 -1.073 127 HA PHE 16 HA PHE 16 -2.330 1.325 -3.674 128 1HB PHE 16 2HB PHE 16 -2.078 2.647 -1.498 129 2HB PHE 16 1HB PHE 16 -0.342 2.652 -1.807 130 HD1 PHE 16 1HD PHE 16 0.620 4.195 -3.320 131 HD2 PHE 16 2HD PHE 16 -3.634 3.600 -3.292 132 HE1 PHE 16 1HE PHE 16 0.341 6.114 -4.865 133 HE2 PHE 16 2HE PHE 16 -3.912 5.520 -4.838 134 HZ PHE 16 HZ PHE 16 -1.925 6.776 -5.625 135 H LEU 17 H LEU 17 0.772 0.202 -2.390 136 HA LEU 17 HA LEU 17 2.370 1.034 -4.668 137 1HB LEU 17 2HB LEU 17 2.644 -1.080 -2.511 138 2HB LEU 17 1HB LEU 17 3.916 -0.751 -3.687 139 HG LEU 17 HG LEU 17 3.429 1.771 -2.877 140 1HD1 LEU 17 1HD1 LEU 17 1.798 1.450 -1.228 141 2HD1 LEU 17 2HD1 LEU 17 3.283 1.487 -0.280 142 3HD1 LEU 17 3HD1 LEU 17 2.523 -0.057 -0.666 143 1HD2 LEU 17 1HD2 LEU 17 5.411 1.594 -1.541 144 2HD2 LEU 17 2HD2 LEU 17 5.582 0.417 -2.843 145 3HD2 LEU 17 3HD2 LEU 17 5.121 -0.117 -1.226 146 H PHE 18 H PHE 18 1.546 -2.253 -3.677 147 HA PHE 18 HA PHE 18 1.863 -3.786 -5.920 148 1HB PHE 18 2HB PHE 18 0.958 -4.627 -3.812 149 2HB PHE 18 1HB PHE 18 -0.544 -3.739 -4.067 150 HD1 PHE 18 1HD PHE 18 1.581 -6.487 -5.430 151 HD2 PHE 18 2HD PHE 18 -2.300 -4.646 -5.383 152 HE1 PHE 18 1HE PHE 18 0.650 -8.415 -6.684 153 HE2 PHE 18 2HE PHE 18 -3.231 -6.572 -6.637 154 HZ PHE 18 HZ PHE 18 -1.758 -8.460 -7.286 155 H CYS 19 H CYS 19 -1.293 -2.066 -5.374 156 HA CYS 19 HA CYS 19 -2.304 -2.569 -7.987 157 1HB CYS 19 2HB CYS 19 -3.592 -1.845 -5.974 158 2HB CYS 19 1HB CYS 19 -2.849 -0.253 -6.108 159 HG CYS 19 HG CYS 19 -5.190 -0.281 -7.375 160 H SER 20 H SER 20 -0.513 0.219 -6.692 161 HA SER 20 HA SER 20 -0.608 1.906 -8.969 162 1HB SER 20 2HB SER 20 0.213 2.665 -6.829 163 2HB SER 20 1HB SER 20 1.501 1.465 -6.837 164 HG SER 20 HG SER 20 1.175 3.723 -8.518 165 H GLU 21 H GLU 21 1.498 -0.884 -8.304 166 HA GLU 21 HA GLU 21 3.103 -0.344 -10.719 167 1HB GLU 21 2HB GLU 21 4.379 -2.310 -9.929 168 2HB GLU 21 1HB GLU 21 4.152 -1.127 -8.643 169 1HG GLU 21 2HG GLU 21 2.514 -2.434 -7.565 170 2HG GLU 21 1HG GLU 21 2.225 -3.415 -9.000 171 H HIS 22 H HIS 22 0.426 -2.500 -9.767 172 HA HIS 22 HA HIS 22 0.713 -4.011 -12.317 173 1HB HIS 22 2HB HIS 22 -0.981 -4.306 -9.820 174 2HB HIS 22 1HB HIS 22 -1.103 -5.384 -11.209 175 HD1 HIS 22 1HD HIS 22 1.413 -6.409 -11.936 176 HD2 HIS 22 2HD HIS 22 0.839 -5.219 -7.984 177 HE1 HIS 22 1HE HIS 22 3.204 -7.569 -10.570 178 H ARG 23 H ARG 23 -0.450 -1.103 -11.815 179 HA ARG 23 HA ARG 23 -3.253 -1.367 -12.576 180 1HB ARG 23 2HB ARG 23 -2.402 0.439 -11.146 181 2HB ARG 23 1HB ARG 23 -1.366 1.006 -12.451 182 1HG ARG 23 2HG ARG 23 -3.159 1.803 -13.716 183 2HG ARG 23 1HG ARG 23 -4.315 0.725 -12.931 184 1HD ARG 23 2HD ARG 23 -2.931 2.774 -11.233 185 2HD ARG 23 1HD ARG 23 -4.256 3.304 -12.291 186 HE ARG 23 HE ARG 23 -4.704 0.909 -10.585 187 1HH1 ARG 23 1HH1 ARG 23 -6.719 2.648 -12.200 188 2HH1 ARG 23 2HH1 ARG 23 -7.534 3.448 -10.899 189 1HH2 ARG 23 1HH2 ARG 23 -5.142 2.612 -8.534 190 2HH2 ARG 23 2HH2 ARG 23 -6.643 3.426 -8.823 191 HA PRO 24 HA PRO 24 -1.648 0.132 -16.812 192 1HB PRO 24 2HB PRO 24 1.005 -0.132 -17.409 193 2HB PRO 24 1HB PRO 24 0.317 1.333 -16.682 194 1HG PRO 24 2HG PRO 24 1.862 -0.861 -15.419 195 2HG PRO 24 1HG PRO 24 1.860 0.872 -15.064 196 1HD PRO 24 2HD PRO 24 0.556 -1.033 -13.577 197 2HD PRO 24 1HD PRO 24 0.136 0.690 -13.603 198 H LYS 25 H LYS 25 -0.895 -2.764 -15.213 199 HA LYS 25 HA LYS 25 -0.231 -4.297 -17.658 200 1HB LYS 25 2HB LYS 25 0.856 -4.627 -15.405 201 2HB LYS 25 1HB LYS 25 -0.702 -5.190 -14.796 202 1HG LYS 25 2HG LYS 25 -0.659 -6.871 -16.748 203 2HG LYS 25 1HG LYS 25 1.051 -6.463 -16.898 204 1HD LYS 25 2HD LYS 25 -0.143 -7.275 -14.248 205 2HD LYS 25 1HD LYS 25 0.447 -8.475 -15.398 206 1HE LYS 25 2HE LYS 25 2.219 -6.151 -14.676 207 2HE LYS 25 1HE LYS 25 2.102 -7.540 -13.576 208 1HZ LYS 25 1HZ LYS 25 2.680 -7.695 -16.489 209 2HZ LYS 25 2HZ LYS 25 2.571 -9.016 -15.424 210 3HZ LYS 25 3HZ LYS 25 3.827 -7.885 -15.255 211 H ILE 26 H ILE 26 -2.878 -3.896 -15.318 212 HA ILE 26 HA ILE 26 -4.552 -5.994 -16.438 213 HB ILE 26 HB ILE 26 -5.174 -3.588 -14.690 214 1HG1 ILE 26 2HG1 ILE 26 -3.446 -5.067 -13.728 215 2HG1 ILE 26 1HG1 ILE 26 -4.949 -5.188 -12.819 216 1HG2 ILE 26 1HG2 ILE 26 -6.780 -5.892 -15.670 217 2HG2 ILE 26 2HG2 ILE 26 -7.300 -4.272 -15.206 218 3HG2 ILE 26 3HG2 ILE 26 -6.965 -5.480 -13.965 219 1HD1 ILE 26 1HD1 ILE 26 -3.911 -7.144 -14.892 220 2HD1 ILE 26 2HD1 ILE 26 -5.523 -7.229 -14.182 221 3HD1 ILE 26 3HD1 ILE 26 -4.100 -7.432 -13.162 222 H LYS 27 H LYS 27 -3.985 -2.621 -17.194 223 HA LYS 27 HA LYS 27 -6.462 -2.230 -18.708 224 1HB LYS 27 2HB LYS 27 -3.859 -0.750 -18.302 225 2HB LYS 27 1HB LYS 27 -5.077 -0.165 -19.436 226 1HG LYS 27 2HG LYS 27 -6.738 -0.425 -17.461 227 2HG LYS 27 1HG LYS 27 -5.297 -0.487 -16.447 228 1HD LYS 27 2HD LYS 27 -4.662 1.702 -16.987 229 2HD LYS 27 1HD LYS 27 -5.617 1.715 -18.470 230 1HE LYS 27 2HE LYS 27 -7.701 1.596 -17.029 231 2HE LYS 27 1HE LYS 27 -6.653 1.861 -15.621 232 1HZ LYS 27 1HZ LYS 27 -7.464 3.968 -16.506 233 2HZ LYS 27 2HZ LYS 27 -6.795 3.605 -18.025 234 3HZ LYS 27 3HZ LYS 27 -5.782 3.849 -16.683 235 H SER 28 H SER 28 -3.339 -3.629 -19.367 236 HA SER 28 HA SER 28 -3.323 -3.162 -22.244 237 1HB SER 28 2HB SER 28 -1.876 -5.049 -20.366 238 2HB SER 28 1HB SER 28 -1.520 -4.950 -22.087 239 HG SER 28 HG SER 28 -0.159 -3.564 -20.956 240 H GLU 29 H GLU 29 -4.030 -6.015 -20.197 241 HA GLU 29 HA GLU 29 -5.058 -7.545 -22.493 242 1HB GLU 29 2HB GLU 29 -4.751 -7.986 -19.518 243 2HB GLU 29 1HB GLU 29 -5.521 -9.181 -20.562 244 1HG GLU 29 2HG GLU 29 -2.797 -8.053 -21.208 245 2HG GLU 29 1HG GLU 29 -2.989 -9.446 -20.144 246 H HIS 30 H HIS 30 -6.402 -5.043 -20.842 247 HA HIS 30 HA HIS 30 -9.154 -5.969 -21.397 248 1HB HIS 30 2HB HIS 30 -8.241 -5.016 -18.659 249 2HB HIS 30 1HB HIS 30 -9.898 -5.402 -19.107 250 HD1 HIS 30 1HD HIS 30 -10.545 -7.886 -19.311 251 HD2 HIS 30 2HD HIS 30 -6.529 -7.294 -18.381 252 HE1 HIS 30 1HE HIS 30 -9.630 -10.147 -18.624 253 HA PRO 31 HA PRO 31 -8.226 -1.529 -22.376 254 1HB PRO 31 2HB PRO 31 -9.629 -1.516 -24.738 255 2HB PRO 31 1HB PRO 31 -7.924 -2.000 -24.625 256 1HG PRO 31 2HG PRO 31 -10.371 -3.713 -24.717 257 2HG PRO 31 1HG PRO 31 -8.825 -3.913 -25.561 258 1HD PRO 31 2HD PRO 31 -9.421 -5.329 -23.348 259 2HD PRO 31 1HD PRO 31 -7.765 -4.780 -23.698 260 H GLY 32 H GLY 32 -9.576 -0.051 -21.430 261 1HA GLY 32 2HA GLY 32 -11.679 1.107 -21.176 262 2HA GLY 32 1HA GLY 32 -12.513 -0.333 -21.758 263 H LEU 33 H LEU 33 -10.658 -1.925 -19.845 264 HA LEU 33 HA LEU 33 -12.410 -2.498 -17.768 265 1HB LEU 33 2HB LEU 33 -10.174 -3.540 -18.538 266 2HB LEU 33 1HB LEU 33 -9.403 -2.404 -17.441 267 HG LEU 33 HG LEU 33 -9.787 -4.665 -16.435 268 1HD1 LEU 33 1HD1 LEU 33 -10.474 -3.843 -14.326 269 2HD1 LEU 33 2HD1 LEU 33 -11.493 -2.600 -15.050 270 3HD1 LEU 33 3HD1 LEU 33 -9.737 -2.460 -15.137 271 1HD2 LEU 33 1HD2 LEU 33 -12.076 -4.863 -17.683 272 2HD2 LEU 33 2HD2 LEU 33 -12.717 -3.982 -16.297 273 3HD2 LEU 33 3HD2 LEU 33 -11.930 -5.542 -16.061 274 H SER 34 H SER 34 -13.301 -1.143 -16.318 275 HA SER 34 HA SER 34 -12.374 1.447 -15.573 276 1HB SER 34 2HB SER 34 -14.093 1.253 -13.839 277 2HB SER 34 1HB SER 34 -14.680 0.510 -15.323 278 HG SER 34 HG SER 34 -15.040 -1.069 -13.933 279 H ILE 35 H ILE 35 -12.343 1.535 -12.790 280 HA ILE 35 HA ILE 35 -9.689 0.320 -12.197 281 HB ILE 35 HB ILE 35 -11.353 2.441 -10.795 282 1HG1 ILE 35 2HG1 ILE 35 -9.288 3.806 -11.780 283 2HG1 ILE 35 1HG1 ILE 35 -9.288 2.499 -12.964 284 1HG2 ILE 35 1HG2 ILE 35 -8.522 1.444 -10.381 285 2HG2 ILE 35 2HG2 ILE 35 -9.836 1.466 -9.205 286 3HG2 ILE 35 3HG2 ILE 35 -9.105 2.980 -9.737 287 1HD1 ILE 35 1HD1 ILE 35 -10.769 4.656 -13.358 288 2HD1 ILE 35 2HD1 ILE 35 -11.889 3.821 -12.281 289 3HD1 ILE 35 3HD1 ILE 35 -11.385 3.060 -13.790 290 H GLY 36 H GLY 36 -13.055 0.224 -11.176 291 1HA GLY 36 2HA GLY 36 -12.665 -1.074 -8.647 292 2HA GLY 36 1HA GLY 36 -14.158 -1.103 -9.585 293 H ASP 37 H ASP 37 -13.217 -2.353 -11.925 294 HA ASP 37 HA ASP 37 -13.378 -5.121 -11.213 295 1HB ASP 37 2HB ASP 37 -12.537 -3.623 -13.700 296 2HB ASP 37 1HB ASP 37 -12.712 -5.377 -13.664 297 H THR 38 H THR 38 -10.557 -3.245 -12.438 298 HA THR 38 HA THR 38 -8.710 -5.447 -12.102 299 HB THR 38 HB THR 38 -8.380 -3.581 -13.681 300 HG1 THR 38 1HG THR 38 -6.199 -3.112 -13.035 301 1HG2 THR 38 1HG2 THR 38 -7.518 -1.714 -11.547 302 2HG2 THR 38 2HG2 THR 38 -9.258 -1.941 -11.719 303 3HG2 THR 38 3HG2 THR 38 -8.303 -1.380 -13.089 304 H ALA 39 H ALA 39 -9.786 -2.819 -10.013 305 HA ALA 39 HA ALA 39 -7.730 -3.133 -7.984 306 1HB ALA 39 1HB ALA 39 -9.457 -1.829 -6.636 307 2HB ALA 39 2HB ALA 39 -10.521 -1.943 -8.038 308 3HB ALA 39 3HB ALA 39 -8.989 -1.078 -8.162 309 H LYS 40 H LYS 40 -10.864 -4.580 -8.638 310 HA LYS 40 HA LYS 40 -11.170 -5.948 -6.093 311 1HB LYS 40 2HB LYS 40 -12.364 -6.051 -8.852 312 2HB LYS 40 1HB LYS 40 -12.718 -7.362 -7.725 313 1HG LYS 40 2HG LYS 40 -13.627 -5.818 -6.106 314 2HG LYS 40 1HG LYS 40 -13.096 -4.432 -7.058 315 1HD LYS 40 2HD LYS 40 -14.604 -5.112 -8.892 316 2HD LYS 40 1HD LYS 40 -15.142 -6.493 -7.934 317 1HE LYS 40 2HE LYS 40 -15.334 -3.703 -6.800 318 2HE LYS 40 1HE LYS 40 -16.603 -4.333 -7.870 319 1HZ LYS 40 1HZ LYS 40 -16.786 -6.284 -6.470 320 2HZ LYS 40 2HZ LYS 40 -17.044 -4.885 -5.542 321 3HZ LYS 40 3HZ LYS 40 -15.560 -5.708 -5.450 322 H LYS 41 H LYS 41 -9.925 -6.813 -9.304 323 HA LYS 41 HA LYS 41 -9.227 -9.549 -8.668 324 1HB LYS 41 2HB LYS 41 -9.503 -8.286 -10.935 325 2HB LYS 41 1HB LYS 41 -7.828 -7.789 -10.686 326 1HG LYS 41 2HG LYS 41 -7.152 -10.154 -10.486 327 2HG LYS 41 1HG LYS 41 -8.825 -10.653 -10.742 328 1HD LYS 41 2HD LYS 41 -8.761 -9.422 -12.948 329 2HD LYS 41 1HD LYS 41 -7.029 -9.200 -12.701 330 1HE LYS 41 2HE LYS 41 -6.895 -11.752 -12.403 331 2HE LYS 41 1HE LYS 41 -8.537 -11.799 -13.077 332 1HZ LYS 41 1HZ LYS 41 -6.196 -10.465 -14.336 333 2HZ LYS 41 2HZ LYS 41 -7.770 -10.520 -14.973 334 3HZ LYS 41 3HZ LYS 41 -6.857 -11.947 -14.829 335 H LEU 42 H LEU 42 -7.246 -6.576 -8.930 336 HA LEU 42 HA LEU 42 -4.731 -7.522 -8.153 337 1HB LEU 42 2HB LEU 42 -6.267 -5.002 -8.065 338 2HB LEU 42 1HB LEU 42 -4.910 -5.062 -6.944 339 HG LEU 42 HG LEU 42 -3.414 -5.713 -8.810 340 1HD1 LEU 42 1HD1 LEU 42 -5.619 -4.984 -10.721 341 2HD1 LEU 42 2HD1 LEU 42 -5.471 -6.645 -10.149 342 3HD1 LEU 42 3HD1 LEU 42 -4.141 -5.894 -11.030 343 1HD2 LEU 42 1HD2 LEU 42 -3.143 -3.531 -9.541 344 2HD2 LEU 42 2HD2 LEU 42 -4.165 -3.275 -8.127 345 3HD2 LEU 42 3HD2 LEU 42 -4.877 -3.274 -9.740 346 H GLY 43 H GLY 43 -7.147 -6.099 -5.899 347 1HA GLY 43 2HA GLY 43 -5.804 -6.616 -3.485 348 2HA GLY 43 1HA GLY 43 -7.564 -6.552 -3.625 349 H GLU 44 H GLU 44 -7.586 -8.819 -5.552 350 HA GLU 44 HA GLU 44 -7.781 -11.010 -3.653 351 1HB GLU 44 2HB GLU 44 -9.026 -10.515 -5.905 352 2HB GLU 44 1HB GLU 44 -7.619 -11.266 -6.658 353 1HG GLU 44 2HG GLU 44 -7.981 -13.328 -5.480 354 2HG GLU 44 1HG GLU 44 -9.209 -12.592 -4.449 355 H MET 45 H MET 45 -5.438 -9.938 -6.083 356 HA MET 45 HA MET 45 -3.676 -12.255 -5.731 357 1HB MET 45 2HB MET 45 -3.614 -9.614 -7.199 358 2HB MET 45 1HB MET 45 -2.192 -10.656 -7.150 359 1HG MET 45 2HG MET 45 -3.693 -12.538 -7.980 360 2HG MET 45 1HG MET 45 -4.920 -11.308 -8.283 361 1HE MET 45 1HE MET 45 -5.190 -10.013 -10.013 362 2HE MET 45 2HE MET 45 -4.089 -9.559 -11.311 363 3HE MET 45 3HE MET 45 -3.901 -8.839 -9.714 364 H TRP 46 H TRP 46 -3.706 -8.816 -4.752 365 HA TRP 46 HA TRP 46 -1.200 -8.577 -3.477 366 1HB TRP 46 2HB TRP 46 -2.751 -6.740 -3.832 367 2HB TRP 46 1HB TRP 46 -3.943 -7.468 -2.767 368 HD1 TRP 46 HD TRP 46 -3.980 -6.248 -0.535 369 HE1 TRP 46 1HE TRP 46 -2.227 -5.166 1.016 370 HE3 TRP 46 3HE TRP 46 0.228 -7.063 -3.282 371 HZ2 TRP 46 2HZ TRP 46 0.600 -4.708 1.073 372 HZ3 TRP 46 3HZ TRP 46 2.442 -6.298 -2.467 373 HH2 TRP 46 HH TRP 46 2.627 -5.125 -0.296 374 H SER 47 H SER 47 -4.271 -9.805 -2.083 375 HA SER 47 HA SER 47 -3.191 -10.420 0.519 376 1HB SER 47 2HB SER 47 -5.610 -10.120 -0.175 377 2HB SER 47 1HB SER 47 -5.520 -11.702 -0.944 378 HG SER 47 HG SER 47 -5.155 -12.627 1.032 379 H GLU 48 H GLU 48 -2.656 -11.901 -2.523 380 HA GLU 48 HA GLU 48 -2.007 -14.540 -1.314 381 1HB GLU 48 2HB GLU 48 -2.643 -13.495 -4.076 382 2HB GLU 48 1HB GLU 48 -1.917 -15.084 -3.846 383 1HG GLU 48 2HG GLU 48 -4.399 -14.271 -2.339 384 2HG GLU 48 1HG GLU 48 -4.497 -14.964 -3.958 385 H GLN 49 H GLN 49 -0.568 -11.613 -2.453 386 HA GLN 49 HA GLN 49 1.856 -12.562 -3.608 387 1HB GLN 49 2HB GLN 49 1.211 -10.116 -1.923 388 2HB GLN 49 1HB GLN 49 2.701 -10.313 -2.839 389 1HG GLN 49 2HG GLN 49 -0.093 -10.301 -4.008 390 2HG GLN 49 1HG GLN 49 1.058 -8.975 -4.099 391 1HE2 GLN 49 1HE2 GLN 49 -0.166 -10.863 -6.241 392 2HE2 GLN 49 2HE2 GLN 49 1.187 -11.408 -7.107 393 H SER 50 H SER 50 3.822 -13.144 -2.649 394 HA SER 50 HA SER 50 3.707 -13.969 0.198 395 1HB SER 50 2HB SER 50 5.685 -15.272 -0.433 396 2HB SER 50 1HB SER 50 4.446 -15.491 -1.666 397 HG SER 50 HG SER 50 6.605 -14.993 -2.456 398 H ALA 51 H ALA 51 6.643 -13.759 0.483 399 HA ALA 51 HA ALA 51 6.786 -10.992 1.397 400 1HB ALA 51 1HB ALA 51 9.199 -11.816 1.891 401 2HB ALA 51 2HB ALA 51 8.635 -13.381 1.307 402 3HB ALA 51 3HB ALA 51 7.875 -12.639 2.714 403 H LYS 52 H LYS 52 7.403 -12.503 -1.629 404 HA LYS 52 HA LYS 52 9.633 -10.863 -2.508 405 1HB LYS 52 2HB LYS 52 8.527 -13.150 -3.342 406 2HB LYS 52 1HB LYS 52 7.625 -12.051 -4.386 407 1HG LYS 52 2HG LYS 52 9.726 -11.094 -5.227 408 2HG LYS 52 1HG LYS 52 10.648 -12.154 -4.159 409 1HD LYS 52 2HD LYS 52 9.437 -14.103 -5.312 410 2HD LYS 52 1HD LYS 52 8.943 -12.927 -6.530 411 1HE LYS 52 2HE LYS 52 10.945 -13.712 -7.458 412 2HE LYS 52 1HE LYS 52 11.542 -12.331 -6.515 413 1HZ LYS 52 1HZ LYS 52 11.337 -15.125 -5.520 414 2HZ LYS 52 2HZ LYS 52 11.935 -13.795 -4.648 415 3HZ LYS 52 3HZ LYS 52 12.777 -14.371 -6.007 416 H ASP 53 H ASP 53 6.095 -10.729 -3.005 417 HA ASP 53 HA ASP 53 6.408 -7.885 -3.921 418 1HB ASP 53 2HB ASP 53 4.937 -10.247 -4.921 419 2HB ASP 53 1HB ASP 53 3.997 -8.757 -4.886 420 H LYS 54 H LYS 54 6.265 -8.033 -1.306 421 HA LYS 54 HA LYS 54 3.725 -6.839 -0.587 422 1HB LYS 54 2HB LYS 54 3.676 -9.541 -0.724 423 2HB LYS 54 1HB LYS 54 4.174 -9.325 0.947 424 1HG LYS 54 2HG LYS 54 2.221 -7.627 1.094 425 2HG LYS 54 1HG LYS 54 1.670 -8.337 -0.418 426 1HD LYS 54 2HD LYS 54 0.523 -9.527 1.292 427 2HD LYS 54 1HD LYS 54 1.810 -10.601 0.746 428 1HE LYS 54 2HE LYS 54 2.054 -10.718 3.083 429 2HE LYS 54 1HE LYS 54 3.193 -9.417 2.680 430 1HZ LYS 54 1HZ LYS 54 1.429 -7.805 3.028 431 2HZ LYS 54 2HZ LYS 54 1.662 -8.729 4.434 432 3HZ LYS 54 3HZ LYS 54 0.337 -9.043 3.418 433 H GLN 55 H GLN 55 6.776 -8.286 0.507 434 HA GLN 55 HA GLN 55 6.704 -7.158 3.179 435 1HB GLN 55 2HB GLN 55 8.617 -8.556 1.377 436 2HB GLN 55 1HB GLN 55 9.314 -7.640 2.711 437 1HG GLN 55 2HG GLN 55 7.099 -9.682 3.039 438 2HG GLN 55 1HG GLN 55 8.809 -10.033 3.293 439 1HE2 GLN 55 1HE2 GLN 55 6.014 -9.055 4.909 440 2HE2 GLN 55 2HE2 GLN 55 6.740 -8.342 6.268 441 HA PRO 56 HA PRO 56 9.622 -3.813 1.399 442 1HB PRO 56 2HB PRO 56 9.908 -3.612 -1.314 443 2HB PRO 56 1HB PRO 56 10.965 -4.615 -0.300 444 1HG PRO 56 2HG PRO 56 8.650 -5.417 -1.992 445 2HG PRO 56 1HG PRO 56 10.201 -6.233 -1.742 446 1HD PRO 56 2HD PRO 56 7.905 -6.997 -0.522 447 2HD PRO 56 1HD PRO 56 9.512 -7.237 0.196 448 H TYR 57 H TYR 57 6.513 -4.609 0.216 449 HA TYR 57 HA TYR 57 5.964 -1.871 -0.795 450 1HB TYR 57 2HB TYR 57 4.499 -4.520 -0.761 451 2HB TYR 57 1HB TYR 57 3.724 -3.030 -1.300 452 HD1 TYR 57 1HD TYR 57 5.195 -5.844 -2.542 453 HD2 TYR 57 2HD TYR 57 5.576 -1.580 -2.841 454 HE1 TYR 57 1HE TYR 57 6.258 -6.094 -4.770 455 HE2 TYR 57 2HE TYR 57 6.639 -1.827 -5.067 456 HH TYR 57 HH TYR 57 6.527 -3.721 -6.953 457 H GLU 58 H GLU 58 5.118 -4.086 1.840 458 HA GLU 58 HA GLU 58 3.185 -2.201 3.013 459 1HB GLU 58 2HB GLU 58 2.884 -3.979 4.652 460 2HB GLU 58 1HB GLU 58 2.952 -4.696 3.047 461 1HG GLU 58 2HG GLU 58 5.437 -5.111 3.467 462 2HG GLU 58 1HG GLU 58 5.138 -4.653 5.140 463 H GLN 59 H GLN 59 6.526 -3.227 3.556 464 HA GLN 59 HA GLN 59 6.890 -1.895 6.101 465 1HB GLN 59 2HB GLN 59 8.730 -2.862 3.893 466 2HB GLN 59 1HB GLN 59 9.336 -2.187 5.406 467 1HG GLN 59 2HG GLN 59 7.927 -3.905 6.623 468 2HG GLN 59 1HG GLN 59 7.618 -4.655 5.057 469 1HE2 GLN 59 1HE2 GLN 59 9.644 -5.330 3.799 470 2HE2 GLN 59 2HE2 GLN 59 10.998 -5.839 4.688 471 H LYS 60 H LYS 60 8.354 -1.041 2.942 472 HA LYS 60 HA LYS 60 9.157 1.569 3.529 473 1HB LYS 60 2HB LYS 60 9.669 0.194 1.512 474 2HB LYS 60 1HB LYS 60 8.038 0.505 0.919 475 1HG LYS 60 2HG LYS 60 8.994 3.048 1.538 476 2HG LYS 60 1HG LYS 60 10.401 2.234 0.857 477 1HD LYS 60 2HD LYS 60 9.154 1.643 -1.146 478 2HD LYS 60 1HD LYS 60 7.669 2.299 -0.456 479 1HE LYS 60 2HE LYS 60 9.066 4.519 -0.237 480 2HE LYS 60 1HE LYS 60 10.083 3.774 -1.484 481 1HZ LYS 60 1HZ LYS 60 8.044 3.311 -2.758 482 2HZ LYS 60 2HZ LYS 60 8.305 4.976 -2.542 483 3HZ LYS 60 3HZ LYS 60 7.139 4.167 -1.606 484 H ALA 61 H ALA 61 5.852 0.478 3.095 485 HA ALA 61 HA ALA 61 4.890 3.241 2.570 486 1HB ALA 61 1HB ALA 61 2.894 2.177 1.922 487 2HB ALA 61 2HB ALA 61 3.206 0.772 2.942 488 3HB ALA 61 3HB ALA 61 4.124 1.004 1.455 489 H ALA 62 H ALA 62 4.798 0.686 5.037 490 HA ALA 62 HA ALA 62 2.954 1.979 6.836 491 1HB ALA 62 1HB ALA 62 5.188 -0.043 7.195 492 2HB ALA 62 2HB ALA 62 3.468 -0.381 7.000 493 3HB ALA 62 3HB ALA 62 4.056 0.384 8.477 494 H LYS 63 H LYS 63 6.493 2.052 6.522 495 HA LYS 63 HA LYS 63 6.937 3.734 8.855 496 1HB LYS 63 2HB LYS 63 8.529 2.105 7.699 497 2HB LYS 63 1HB LYS 63 8.720 3.326 6.439 498 1HG LYS 63 2HG LYS 63 9.480 4.956 8.132 499 2HG LYS 63 1HG LYS 63 9.298 3.732 9.390 500 1HD LYS 63 2HD LYS 63 11.059 2.411 8.522 501 2HD LYS 63 1HD LYS 63 11.032 3.245 6.969 502 1HE LYS 63 2HE LYS 63 11.673 5.370 8.313 503 2HE LYS 63 1HE LYS 63 12.111 4.240 9.610 504 1HZ LYS 63 1HZ LYS 63 13.467 3.009 8.024 505 2HZ LYS 63 2HZ LYS 63 13.993 4.621 8.137 506 3HZ LYS 63 3HZ LYS 63 13.075 4.116 6.800 507 H LEU 64 H LEU 64 7.401 4.431 5.365 508 HA LEU 64 HA LEU 64 7.738 7.220 5.540 509 1HB LEU 64 2HB LEU 64 6.684 5.309 3.477 510 2HB LEU 64 1HB LEU 64 6.660 7.040 3.144 511 HG LEU 64 HG LEU 64 9.133 5.538 4.045 512 1HD1 LEU 64 1HD1 LEU 64 8.608 6.547 1.252 513 2HD1 LEU 64 2HD1 LEU 64 8.121 4.923 1.735 514 3HD1 LEU 64 3HD1 LEU 64 9.821 5.388 1.792 515 1HD2 LEU 64 1HD2 LEU 64 9.370 7.842 4.562 516 2HD2 LEU 64 2HD2 LEU 64 8.545 8.342 3.085 517 3HD2 LEU 64 3HD2 LEU 64 10.171 7.663 3.000 518 H LYS 65 H LYS 65 4.788 5.360 5.866 519 HA LYS 65 HA LYS 65 2.996 7.635 5.394 520 1HB LYS 65 2HB LYS 65 2.375 5.302 4.894 521 2HB LYS 65 1HB LYS 65 2.589 4.870 6.591 522 1HG LYS 65 2HG LYS 65 0.798 6.461 7.212 523 2HG LYS 65 1HG LYS 65 0.579 6.872 5.511 524 1HD LYS 65 2HD LYS 65 0.217 4.335 5.150 525 2HD LYS 65 1HD LYS 65 -0.004 4.257 6.898 526 1HE LYS 65 2HE LYS 65 -1.699 6.210 6.550 527 2HE LYS 65 1HE LYS 65 -1.696 5.689 4.852 528 1HZ LYS 65 1HZ LYS 65 -2.156 3.918 7.195 529 2HZ LYS 65 2HZ LYS 65 -2.155 3.433 5.566 530 3HZ LYS 65 3HZ LYS 65 -3.363 4.481 6.144 531 H GLU 66 H GLU 66 4.118 5.749 8.214 532 HA GLU 66 HA GLU 66 2.704 7.090 10.269 533 1HB GLU 66 2HB GLU 66 5.333 5.647 10.033 534 2HB GLU 66 1HB GLU 66 4.893 6.399 11.567 535 1HG GLU 66 2HG GLU 66 2.998 4.560 10.100 536 2HG GLU 66 1HG GLU 66 4.195 3.944 11.240 537 H LYS 67 H LYS 67 5.752 7.980 8.669 538 HA LYS 67 HA LYS 67 6.130 10.342 10.396 539 1HB LYS 67 2HB LYS 67 7.918 8.775 9.440 540 2HB LYS 67 1HB LYS 67 7.615 9.547 7.882 541 1HG LYS 67 2HG LYS 67 8.237 11.712 8.758 542 2HG LYS 67 1HG LYS 67 8.340 11.072 10.398 543 1HD LYS 67 2HD LYS 67 10.029 9.921 8.182 544 2HD LYS 67 1HD LYS 67 10.550 11.355 9.069 545 1HE LYS 67 2HE LYS 67 10.498 10.149 11.179 546 2HE LYS 67 1HE LYS 67 9.782 8.729 10.391 547 1HZ LYS 67 1HZ LYS 67 12.189 8.499 10.577 548 2HZ LYS 67 2HZ LYS 67 12.409 9.942 9.708 549 3HZ LYS 67 3HZ LYS 67 11.715 8.588 8.951 550 H TYR 68 H TYR 68 4.432 9.621 7.488 551 HA TYR 68 HA TYR 68 4.713 12.222 6.194 552 1HB TYR 68 2HB TYR 68 3.554 9.598 5.737 553 2HB TYR 68 1HB TYR 68 2.385 10.843 5.340 554 HD1 TYR 68 1HD TYR 68 6.101 10.517 5.028 555 HD2 TYR 68 2HD TYR 68 2.371 11.354 3.075 556 HE1 TYR 68 1HE TYR 68 7.315 10.960 2.908 557 HE2 TYR 68 2HE TYR 68 3.583 11.798 0.951 558 HH TYR 68 HH TYR 68 6.396 12.593 0.573 559 H GLU 69 H GLU 69 2.240 10.590 8.137 560 HA GLU 69 HA GLU 69 0.197 12.551 8.074 561 1HB GLU 69 2HB GLU 69 1.032 10.670 10.310 562 2HB GLU 69 1HB GLU 69 -0.560 11.410 10.135 563 1HG GLU 69 2HG GLU 69 -0.509 10.330 7.745 564 2HG GLU 69 1HG GLU 69 0.731 9.286 8.438 565 H LYS 70 H LYS 70 2.860 12.166 10.445 566 HA LYS 70 HA LYS 70 2.245 14.494 12.020 567 1HB LYS 70 2HB LYS 70 4.601 12.707 11.502 568 2HB LYS 70 1HB LYS 70 4.889 14.224 12.356 569 1HG LYS 70 2HG LYS 70 3.486 13.626 14.148 570 2HG LYS 70 1HG LYS 70 2.656 12.388 13.205 571 1HD LYS 70 2HD LYS 70 4.970 11.227 13.079 572 2HD LYS 70 1HD LYS 70 5.417 12.291 14.413 573 1HE LYS 70 2HE LYS 70 3.452 11.444 15.709 574 2HE LYS 70 1HE LYS 70 3.120 10.300 14.392 575 1HZ LYS 70 1HZ LYS 70 5.322 9.394 14.623 576 2HZ LYS 70 2HZ LYS 70 4.547 9.335 16.135 577 3HZ LYS 70 3HZ LYS 70 5.716 10.528 15.820 578 H ASP 71 H ASP 71 4.556 13.961 9.364 579 HA ASP 71 HA ASP 71 5.549 16.586 9.017 580 1HB ASP 71 2HB ASP 71 5.236 14.087 7.476 581 2HB ASP 71 1HB ASP 71 5.391 15.525 6.475 582 H ILE 72 H ILE 72 2.694 15.053 7.511 583 HA ILE 72 HA ILE 72 1.851 17.352 6.000 584 HB ILE 72 HB ILE 72 0.663 14.753 6.973 585 1HG1 ILE 72 2HG1 ILE 72 2.191 14.819 5.023 586 2HG1 ILE 72 1HG1 ILE 72 0.574 14.285 4.568 587 1HG2 ILE 72 1HG2 ILE 72 -1.308 16.090 7.096 588 2HG2 ILE 72 2HG2 ILE 72 -1.374 15.327 5.509 589 3HG2 ILE 72 3HG2 ILE 72 -0.869 17.011 5.657 590 1HD1 ILE 72 1HD1 ILE 72 0.718 17.162 4.373 591 2HD1 ILE 72 2HD1 ILE 72 0.383 15.986 3.104 592 3HD1 ILE 72 3HD1 ILE 72 2.046 16.443 3.464 593 H ALA 73 H ALA 73 1.235 16.253 9.309 594 HA ALA 73 HA ALA 73 -0.880 18.100 9.953 595 1HB ALA 73 1HB ALA 73 -0.277 16.037 11.212 596 2HB ALA 73 2HB ALA 73 -0.313 17.454 12.261 597 3HB ALA 73 3HB ALA 73 1.232 16.804 11.712 598 H ALA 74 H ALA 74 2.648 18.338 10.016 599 HA ALA 74 HA ALA 74 2.601 20.988 11.322 600 1HB ALA 74 1HB ALA 74 5.082 20.717 11.052 601 2HB ALA 74 2HB ALA 74 4.781 19.212 10.183 602 3HB ALA 74 3HB ALA 74 4.326 19.356 11.881 603 H TYR 75 H TYR 75 2.371 19.758 8.126 604 HA TYR 75 HA TYR 75 3.443 22.277 6.929 605 1HB TYR 75 2HB TYR 75 4.052 19.775 6.306 606 2HB TYR 75 1HB TYR 75 2.549 19.860 5.386 607 HD1 TYR 75 1HD TYR 75 2.250 21.966 3.856 608 HD2 TYR 75 2HD TYR 75 6.031 20.593 5.358 609 HE1 TYR 75 1HE TYR 75 3.416 23.218 2.061 610 HE2 TYR 75 2HE TYR 75 7.198 21.844 3.562 611 HH TYR 75 HH TYR 75 5.752 22.946 0.853 612 H ARG 76 H ARG 76 0.533 20.375 7.416 613 HA ARG 76 HA ARG 76 -1.080 21.857 5.466 614 1HB ARG 76 2HB ARG 76 -1.413 19.469 6.095 615 2HB ARG 76 1HB ARG 76 -1.835 19.982 7.730 616 1HG ARG 76 2HG ARG 76 -3.819 21.042 7.014 617 2HG ARG 76 1HG ARG 76 -3.291 21.087 5.332 618 1HD ARG 76 2HD ARG 76 -3.716 18.788 5.005 619 2HD ARG 76 1HD ARG 76 -3.703 18.448 6.748 620 HE ARG 76 HE ARG 76 -5.804 20.226 5.582 621 1HH1 ARG 76 1HH2 ARG 76 -5.975 17.093 5.585 622 2HH1 ARG 76 2HH2 ARG 76 -7.023 16.864 6.945 623 1HH2 ARG 76 1HH1 ARG 76 -6.646 20.106 8.116 624 2HH2 ARG 76 2HH1 ARG 76 -7.403 18.570 8.378 625 H ALA 77 H ALA 77 0.044 22.568 8.611 626 HA ALA 77 HA ALA 77 -1.733 24.888 8.819 627 1HB ALA 77 1HB ALA 77 -2.619 24.094 11.052 628 2HB ALA 77 2HB ALA 77 -1.899 22.521 10.709 629 3HB ALA 77 3HB ALA 77 -3.186 23.145 9.678 630 H LYS 78 H LYS 78 0.289 26.036 8.895 631 HA LYS 78 HA LYS 78 2.100 25.459 11.196 632 1HB LYS 78 2HB LYS 78 2.262 26.866 8.548 633 2HB LYS 78 1HB LYS 78 3.404 27.310 9.817 634 1HG LYS 78 2HG LYS 78 3.751 24.725 10.051 635 2HG LYS 78 1HG LYS 78 3.064 24.667 8.426 636 1HD LYS 78 2HD LYS 78 4.828 25.887 7.494 637 2HD LYS 78 1HD LYS 78 5.279 26.605 9.040 638 1HE LYS 78 2HE LYS 78 5.803 24.120 9.736 639 2HE LYS 78 1HE LYS 78 5.901 23.858 7.984 640 1HZ LYS 78 1HZ LYS 78 7.346 25.954 9.519 641 2HZ LYS 78 2HZ LYS 78 7.394 25.769 7.831 642 3HZ LYS 78 3HZ LYS 78 8.043 24.566 8.839 Start of MODEL 7 1 1H MET 1 1HT MET 1 -15.166 15.341 5.220 2 2H MET 1 2HT MET 1 -15.039 17.023 5.011 3 3H MET 1 3HT MET 1 -15.006 16.353 6.572 4 HA MET 1 HA MET 1 -12.767 16.967 5.908 5 1HB MET 1 2HB MET 1 -13.781 14.264 6.492 6 2HB MET 1 1HB MET 1 -12.146 14.271 5.830 7 1HG MET 1 2HG MET 1 -11.733 14.517 8.117 8 2HG MET 1 1HG MET 1 -11.744 16.194 7.572 9 1HE MET 1 1HE MET 1 -11.702 15.817 10.107 10 2HE MET 1 2HE MET 1 -12.913 14.826 10.918 11 3HE MET 1 3HE MET 1 -13.065 16.581 10.936 12 H LYS 2 H LYS 2 -11.896 17.645 3.989 13 HA LYS 2 HA LYS 2 -11.742 15.682 1.734 14 1HB LYS 2 2HB LYS 2 -13.617 17.462 1.616 15 2HB LYS 2 1HB LYS 2 -12.315 18.625 1.365 16 1HG LYS 2 2HG LYS 2 -11.698 17.696 -0.688 17 2HG LYS 2 1HG LYS 2 -12.418 16.131 -0.306 18 1HD LYS 2 2HD LYS 2 -14.676 17.388 -0.290 19 2HD LYS 2 1HD LYS 2 -13.808 18.683 -1.117 20 1HE LYS 2 2HE LYS 2 -13.247 17.242 -2.966 21 2HE LYS 2 1HE LYS 2 -13.824 15.808 -2.094 22 1HZ LYS 2 1HZ LYS 2 -15.523 16.648 -3.610 23 2HZ LYS 2 2HZ LYS 2 -15.483 18.161 -2.838 24 3HZ LYS 2 3HZ LYS 2 -16.028 16.789 -1.997 25 H LYS 3 H LYS 3 -9.877 15.999 0.379 26 HA LYS 3 HA LYS 3 -7.708 17.607 1.665 27 1HB LYS 3 2HB LYS 3 -7.939 15.080 0.093 28 2HB LYS 3 1HB LYS 3 -6.453 16.012 -0.102 29 1HG LYS 3 2HG LYS 3 -5.998 14.556 1.711 30 2HG LYS 3 1HG LYS 3 -6.386 16.099 2.475 31 1HD LYS 3 2HD LYS 3 -8.740 15.325 2.762 32 2HD LYS 3 1HD LYS 3 -8.276 13.757 2.098 33 1HE LYS 3 2HE LYS 3 -6.679 13.415 3.931 34 2HE LYS 3 1HE LYS 3 -7.063 15.020 4.585 35 1HZ LYS 3 1HZ LYS 3 -8.394 13.294 5.657 36 2HZ LYS 3 2HZ LYS 3 -9.018 12.822 4.149 37 3HZ LYS 3 3HZ LYS 3 -9.376 14.360 4.777 38 H ASP 4 H ASP 4 -6.345 18.920 0.299 39 HA ASP 4 HA ASP 4 -7.735 19.962 -2.121 40 1HB ASP 4 2HB ASP 4 -5.906 20.943 -0.011 41 2HB ASP 4 1HB ASP 4 -5.592 21.595 -1.619 42 HA PRO 5 HA PRO 5 -4.694 18.402 -4.902 43 1HB PRO 5 2HB PRO 5 -4.021 20.529 -6.487 44 2HB PRO 5 1HB PRO 5 -5.584 19.697 -6.602 45 1HG PRO 5 2HG PRO 5 -4.901 22.263 -5.257 46 2HG PRO 5 1HG PRO 5 -6.342 21.824 -6.187 47 1HD PRO 5 2HD PRO 5 -6.280 21.896 -3.464 48 2HD PRO 5 1HD PRO 5 -7.359 20.832 -4.392 49 H ASN 6 H ASN 6 -3.807 21.359 -3.197 50 HA ASN 6 HA ASN 6 -0.925 21.045 -3.683 51 1HB ASN 6 2HB ASN 6 -2.728 22.869 -2.093 52 2HB ASN 6 1HB ASN 6 -0.976 22.951 -1.909 53 1HD2 ASN 6 1HD2 ASN 6 -3.603 24.015 -3.844 54 2HD2 ASN 6 2HD2 ASN 6 -2.696 24.640 -5.136 55 H ALA 7 H ALA 7 -3.263 20.235 -1.178 56 HA ALA 7 HA ALA 7 -1.263 19.566 0.857 57 1HB ALA 7 1HB ALA 7 -3.261 18.819 2.081 58 2HB ALA 7 2HB ALA 7 -4.216 18.909 0.601 59 3HB ALA 7 3HB ALA 7 -3.569 20.381 1.324 60 HA PRO 8 HA PRO 8 -0.675 15.410 -0.410 61 1HB PRO 8 2HB PRO 8 0.045 14.238 1.930 62 2HB PRO 8 1HB PRO 8 1.100 15.285 0.967 63 1HG PRO 8 2HG PRO 8 -0.212 15.826 3.501 64 2HG PRO 8 1HG PRO 8 1.137 16.613 2.693 65 1HD PRO 8 2HD PRO 8 -1.553 17.535 2.841 66 2HD PRO 8 1HD PRO 8 -0.167 18.301 2.040 67 H LYS 9 H LYS 9 -1.948 13.529 -0.672 68 HA LYS 9 HA LYS 9 -4.504 13.426 0.794 69 1HB LYS 9 2HB LYS 9 -3.226 12.029 -1.556 70 2HB LYS 9 1HB LYS 9 -4.754 11.460 -0.883 71 1HG LYS 9 2HG LYS 9 -5.544 12.952 -2.469 72 2HG LYS 9 1HG LYS 9 -5.406 14.026 -1.076 73 1HD LYS 9 2HD LYS 9 -3.424 15.004 -1.864 74 2HD LYS 9 1HD LYS 9 -3.072 13.651 -2.939 75 1HE LYS 9 2HE LYS 9 -5.567 15.285 -3.377 76 2HE LYS 9 1HE LYS 9 -4.004 15.860 -3.994 77 1HZ LYS 9 1HZ LYS 9 -3.667 13.680 -5.017 78 2HZ LYS 9 2HZ LYS 9 -5.064 14.435 -5.624 79 3HZ LYS 9 3HZ LYS 9 -5.198 13.181 -4.484 80 H ARG 10 H ARG 10 -5.093 10.837 1.008 81 HA ARG 10 HA ARG 10 -3.767 9.938 3.369 82 1HB ARG 10 2HB ARG 10 -5.097 7.879 2.966 83 2HB ARG 10 1HB ARG 10 -6.060 9.330 2.693 84 1HG ARG 10 2HG ARG 10 -5.180 9.033 0.201 85 2HG ARG 10 1HG ARG 10 -5.005 7.354 0.708 86 1HD ARG 10 2HD ARG 10 -7.324 7.128 1.168 87 2HD ARG 10 1HD ARG 10 -7.575 8.886 1.173 88 HE ARG 10 HE ARG 10 -6.820 8.724 -1.314 89 1HH1 ARG 10 1HH1 ARG 10 -9.712 7.936 -0.591 90 2HH1 ARG 10 2HH1 ARG 10 -9.890 6.491 -1.529 91 1HH2 ARG 10 1HH2 ARG 10 -6.488 6.121 -2.090 92 2HH2 ARG 10 2HH2 ARG 10 -8.065 5.464 -2.378 93 HA PRO 11 HA PRO 11 -0.191 8.026 1.547 94 1HB PRO 11 2HB PRO 11 0.592 6.462 3.651 95 2HB PRO 11 1HB PRO 11 0.829 8.220 3.617 96 1HG PRO 11 2HG PRO 11 -1.225 6.613 5.034 97 2HG PRO 11 1HG PRO 11 -0.396 8.090 5.543 98 1HD PRO 11 2HD PRO 11 -2.958 8.013 4.561 99 2HD PRO 11 1HD PRO 11 -1.904 9.443 4.504 100 HA PRO 12 HA PRO 12 -1.367 4.003 0.162 101 1HB PRO 12 2HB PRO 12 0.926 2.503 0.283 102 2HB PRO 12 1HB PRO 12 0.656 3.762 -0.936 103 1HG PRO 12 2HG PRO 12 2.228 3.885 1.592 104 2HG PRO 12 1HG PRO 12 2.604 4.553 -0.005 105 1HD PRO 12 2HD PRO 12 1.647 6.066 2.025 106 2HD PRO 12 1HD PRO 12 1.298 6.417 0.317 107 H SER 13 H SER 13 -0.581 1.422 0.970 108 HA SER 13 HA SER 13 -0.452 1.070 3.831 109 1HB SER 13 2HB SER 13 -2.645 2.071 3.830 110 2HB SER 13 1HB SER 13 -3.167 1.060 2.486 111 HG SER 13 HG SER 13 -3.933 0.058 4.268 112 H ALA 14 H ALA 14 0.953 -0.297 1.871 113 HA ALA 14 HA ALA 14 1.563 -2.493 1.361 114 1HB ALA 14 1HB ALA 14 0.845 -4.103 2.810 115 2HB ALA 14 2HB ALA 14 -0.855 -3.766 2.486 116 3HB ALA 14 3HB ALA 14 0.038 -2.769 3.635 117 H PHE 15 H PHE 15 -2.029 -2.671 1.291 118 HA PHE 15 HA PHE 15 -2.122 -3.971 -1.251 119 1HB PHE 15 2HB PHE 15 -3.940 -3.931 0.430 120 2HB PHE 15 1HB PHE 15 -4.156 -2.202 0.153 121 HD1 PHE 15 1HD PHE 15 -3.642 -5.126 -2.155 122 HD2 PHE 15 2HD PHE 15 -6.136 -1.816 -1.021 123 HE1 PHE 15 1HE PHE 15 -5.149 -5.606 -4.064 124 HE2 PHE 15 2HE PHE 15 -7.644 -2.299 -2.930 125 HZ PHE 15 HZ PHE 15 -7.149 -4.195 -4.452 126 H PHE 16 H PHE 16 -1.790 -0.582 -0.394 127 HA PHE 16 HA PHE 16 -2.650 0.496 -2.946 128 1HB PHE 16 2HB PHE 16 -2.366 1.564 -0.560 129 2HB PHE 16 1HB PHE 16 -0.698 1.823 -1.072 130 HD1 PHE 16 1HD PHE 16 -0.171 3.290 -2.976 131 HD2 PHE 16 2HD PHE 16 -4.208 2.755 -1.609 132 HE1 PHE 16 1HE PHE 16 -0.878 5.277 -4.284 133 HE2 PHE 16 2HE PHE 16 -4.915 4.741 -2.917 134 HZ PHE 16 HZ PHE 16 -3.250 6.002 -4.254 135 H LEU 17 H LEU 17 0.427 -0.661 -1.656 136 HA LEU 17 HA LEU 17 2.110 0.388 -3.775 137 1HB LEU 17 2HB LEU 17 2.250 -1.767 -1.675 138 2HB LEU 17 1HB LEU 17 3.487 -1.725 -2.926 139 HG LEU 17 HG LEU 17 4.198 -0.454 -0.931 140 1HD1 LEU 17 1HD1 LEU 17 4.719 0.256 -3.369 141 2HD1 LEU 17 2HD1 LEU 17 5.020 1.428 -2.085 142 3HD1 LEU 17 3HD1 LEU 17 3.571 1.563 -3.080 143 1HD2 LEU 17 1HD2 LEU 17 3.010 1.552 -0.234 144 2HD2 LEU 17 2HD2 LEU 17 1.880 0.197 -0.223 145 3HD2 LEU 17 3HD2 LEU 17 1.846 1.362 -1.547 146 H PHE 18 H PHE 18 1.377 -3.015 -3.183 147 HA PHE 18 HA PHE 18 1.774 -4.280 -5.561 148 1HB PHE 18 2HB PHE 18 0.860 -5.342 -3.564 149 2HB PHE 18 1HB PHE 18 -0.665 -4.484 -3.764 150 HD1 PHE 18 1HD PHE 18 -2.349 -5.277 -5.263 151 HD2 PHE 18 2HD PHE 18 1.553 -7.075 -5.259 152 HE1 PHE 18 1HE PHE 18 -3.198 -7.121 -6.686 153 HE2 PHE 18 2HE PHE 18 0.705 -8.918 -6.684 154 HZ PHE 18 HZ PHE 18 -1.674 -8.946 -7.395 155 H CYS 19 H CYS 19 -1.419 -2.668 -4.912 156 HA CYS 19 HA CYS 19 -2.364 -2.952 -7.592 157 1HB CYS 19 2HB CYS 19 -3.729 -2.490 -5.557 158 2HB CYS 19 1HB CYS 19 -3.034 -0.873 -5.490 159 HG CYS 19 HG CYS 19 -4.403 -1.522 -8.163 160 H SER 20 H SER 20 -0.649 -0.285 -5.979 161 HA SER 20 HA SER 20 -0.776 1.634 -8.072 162 1HB SER 20 2HB SER 20 -0.022 2.199 -5.850 163 2HB SER 20 1HB SER 20 1.302 1.043 -5.946 164 HG SER 20 HG SER 20 1.514 3.501 -6.496 165 H GLU 21 H GLU 21 1.329 -1.193 -7.689 166 HA GLU 21 HA GLU 21 2.993 -0.355 -9.990 167 1HB GLU 21 2HB GLU 21 4.305 -2.360 -9.365 168 2HB GLU 21 1HB GLU 21 4.028 -1.309 -7.977 169 1HG GLU 21 2HG GLU 21 2.405 -2.751 -7.058 170 2HG GLU 21 1HG GLU 21 2.161 -3.596 -8.586 171 H HIS 22 H HIS 22 0.338 -2.596 -9.291 172 HA HIS 22 HA HIS 22 0.690 -3.898 -11.950 173 1HB HIS 22 2HB HIS 22 -0.989 -4.433 -9.486 174 2HB HIS 22 1HB HIS 22 -1.145 -5.370 -10.972 175 HD1 HIS 22 1HD HIS 22 1.360 -6.305 -11.856 176 HD2 HIS 22 2HD HIS 22 0.866 -5.539 -7.789 177 HE1 HIS 22 1HE HIS 22 3.186 -7.587 -10.658 178 H ARG 23 H ARG 23 -0.530 -1.064 -11.206 179 HA ARG 23 HA ARG 23 -3.309 -1.308 -12.071 180 1HB ARG 23 2HB ARG 23 -2.540 0.348 -10.422 181 2HB ARG 23 1HB ARG 23 -1.497 1.085 -11.632 182 1HG ARG 23 2HG ARG 23 -3.292 1.952 -12.852 183 2HG ARG 23 1HG ARG 23 -4.427 0.770 -12.201 184 1HD ARG 23 2HD ARG 23 -4.919 2.890 -11.135 185 2HD ARG 23 1HD ARG 23 -4.096 1.886 -9.924 186 HE ARG 23 HE ARG 23 -1.948 3.062 -10.786 187 1HH1 ARG 23 1HH1 ARG 23 -4.381 4.523 -9.213 188 2HH1 ARG 23 2HH1 ARG 23 -4.146 6.115 -9.851 189 1HH2 ARG 23 1HH2 ARG 23 -1.944 5.088 -12.325 190 2HH2 ARG 23 2HH2 ARG 23 -2.767 6.435 -11.614 191 HA PRO 24 HA PRO 24 -1.600 0.702 -16.052 192 1HB PRO 24 2HB PRO 24 1.077 0.563 -16.574 193 2HB PRO 24 1HB PRO 24 0.328 1.923 -15.714 194 1HG PRO 24 2HG PRO 24 1.876 -0.370 -14.644 195 2HG PRO 24 1HG PRO 24 1.830 1.315 -14.107 196 1HD PRO 24 2HD PRO 24 0.517 -0.750 -12.872 197 2HD PRO 24 1HD PRO 24 0.050 0.957 -12.747 198 H LYS 25 H LYS 25 -0.741 -2.326 -14.742 199 HA LYS 25 HA LYS 25 0.028 -3.581 -17.300 200 1HB LYS 25 2HB LYS 25 0.992 -4.135 -15.034 201 2HB LYS 25 1HB LYS 25 -0.586 -4.784 -14.582 202 1HG LYS 25 2HG LYS 25 -0.473 -6.458 -16.318 203 2HG LYS 25 1HG LYS 25 0.986 -5.730 -16.992 204 1HD LYS 25 2HD LYS 25 2.163 -6.199 -14.837 205 2HD LYS 25 1HD LYS 25 0.718 -7.040 -14.270 206 1HE LYS 25 2HE LYS 25 0.892 -8.591 -16.226 207 2HE LYS 25 1HE LYS 25 2.413 -7.795 -16.678 208 1HZ LYS 25 1HZ LYS 25 1.832 -9.057 -14.049 209 2HZ LYS 25 2HZ LYS 25 3.278 -8.272 -14.470 210 3HZ LYS 25 3HZ LYS 25 2.830 -9.712 -15.253 211 H ILE 26 H ILE 26 -2.736 -3.514 -15.062 212 HA ILE 26 HA ILE 26 -4.313 -5.469 -16.530 213 HB ILE 26 HB ILE 26 -5.047 -3.342 -14.489 214 1HG1 ILE 26 2HG1 ILE 26 -3.336 -4.928 -13.682 215 2HG1 ILE 26 1HG1 ILE 26 -4.869 -5.195 -12.860 216 1HG2 ILE 26 1HG2 ILE 26 -7.133 -3.968 -15.247 217 2HG2 ILE 26 2HG2 ILE 26 -6.860 -5.268 -14.087 218 3HG2 ILE 26 3HG2 ILE 26 -6.574 -5.545 -15.805 219 1HD1 ILE 26 1HD1 ILE 26 -3.710 -6.823 -15.140 220 2HD1 ILE 26 2HD1 ILE 26 -5.358 -7.017 -14.543 221 3HD1 ILE 26 3HD1 ILE 26 -3.991 -7.358 -13.483 222 H LYS 27 H LYS 27 -3.769 -2.028 -16.820 223 HA LYS 27 HA LYS 27 -6.199 -1.419 -18.321 224 1HB LYS 27 2HB LYS 27 -3.534 -0.041 -17.879 225 2HB LYS 27 1HB LYS 27 -4.863 0.697 -18.772 226 1HG LYS 27 2HG LYS 27 -6.325 0.307 -16.748 227 2HG LYS 27 1HG LYS 27 -4.872 -0.176 -15.873 228 1HD LYS 27 2HD LYS 27 -3.994 1.965 -15.869 229 2HD LYS 27 1HD LYS 27 -4.832 2.424 -17.351 230 1HE LYS 27 2HE LYS 27 -6.843 2.871 -16.233 231 2HE LYS 27 1HE LYS 27 -6.422 1.828 -14.860 232 1HZ LYS 27 1HZ LYS 27 -4.616 3.348 -14.312 233 2HZ LYS 27 2HZ LYS 27 -6.110 4.156 -14.286 234 3HZ LYS 27 3HZ LYS 27 -5.053 4.361 -15.601 235 H SER 28 H SER 28 -3.062 -2.751 -19.110 236 HA SER 28 HA SER 28 -3.054 -2.034 -21.931 237 1HB SER 28 2HB SER 28 -1.081 -2.659 -20.462 238 2HB SER 28 1HB SER 28 -1.663 -4.320 -20.498 239 HG SER 28 HG SER 28 -1.064 -4.493 -22.531 240 H GLU 29 H GLU 29 -3.816 -5.022 -20.132 241 HA GLU 29 HA GLU 29 -4.851 -6.371 -22.534 242 1HB GLU 29 2HB GLU 29 -4.681 -7.020 -19.580 243 2HB GLU 29 1HB GLU 29 -5.376 -8.130 -20.762 244 1HG GLU 29 2HG GLU 29 -3.168 -7.818 -22.069 245 2HG GLU 29 1HG GLU 29 -2.532 -7.140 -20.569 246 H HIS 30 H HIS 30 -6.139 -3.960 -20.679 247 HA HIS 30 HA HIS 30 -8.906 -4.696 -21.401 248 1HB HIS 30 2HB HIS 30 -8.029 -4.100 -18.552 249 2HB HIS 30 1HB HIS 30 -9.693 -4.319 -19.078 250 HD1 HIS 30 1HD HIS 30 -10.514 -6.707 -19.508 251 HD2 HIS 30 2HD HIS 30 -6.466 -6.512 -18.561 252 HE1 HIS 30 1HE HIS 30 -9.772 -9.088 -19.062 253 HA PRO 31 HA PRO 31 -7.839 -0.244 -21.929 254 1HB PRO 31 2HB PRO 31 -9.361 0.090 -24.190 255 2HB PRO 31 1HB PRO 31 -7.690 -0.505 -24.227 256 1HG PRO 31 2HG PRO 31 -10.245 -2.042 -24.357 257 2HG PRO 31 1HG PRO 31 -8.752 -2.259 -25.287 258 1HD PRO 31 2HD PRO 31 -9.372 -3.835 -23.181 259 2HD PRO 31 1HD PRO 31 -7.695 -3.402 -23.582 260 H GLY 32 H GLY 32 -9.030 1.110 -20.651 261 1HA GLY 32 2HA GLY 32 -11.028 2.384 -20.159 262 2HA GLY 32 1HA GLY 32 -11.991 1.105 -20.897 263 H LEU 33 H LEU 33 -10.133 -0.831 -19.269 264 HA LEU 33 HA LEU 33 -11.878 -1.579 -17.227 265 1HB LEU 33 2HB LEU 33 -9.640 -2.551 -18.226 266 2HB LEU 33 1HB LEU 33 -8.898 -1.736 -16.857 267 HG LEU 33 HG LEU 33 -9.422 -4.084 -16.320 268 1HD1 LEU 33 1HD1 LEU 33 -10.462 -3.684 -14.219 269 2HD1 LEU 33 2HD1 LEU 33 -11.346 -2.289 -14.835 270 3HD1 LEU 33 3HD1 LEU 33 -9.599 -2.199 -14.613 271 1HD2 LEU 33 1HD2 LEU 33 -11.514 -3.978 -17.908 272 2HD2 LEU 33 2HD2 LEU 33 -12.356 -3.435 -16.457 273 3HD2 LEU 33 3HD2 LEU 33 -11.563 -5.010 -16.480 274 H SER 34 H SER 34 -12.703 0.004 -15.872 275 HA SER 34 HA SER 34 -11.374 2.231 -14.733 276 1HB SER 34 2HB SER 34 -13.219 1.955 -12.973 277 2HB SER 34 1HB SER 34 -13.757 2.033 -14.649 278 HG SER 34 HG SER 34 -14.675 0.286 -13.398 279 H ILE 35 H ILE 35 -11.303 2.249 -12.077 280 HA ILE 35 HA ILE 35 -9.135 0.344 -11.395 281 HB ILE 35 HB ILE 35 -10.326 2.734 -9.942 282 1HG1 ILE 35 2HG1 ILE 35 -7.757 2.561 -11.545 283 2HG1 ILE 35 1HG1 ILE 35 -9.270 3.184 -12.205 284 1HG2 ILE 35 1HG2 ILE 35 -9.166 1.561 -8.284 285 2HG2 ILE 35 2HG2 ILE 35 -7.908 2.621 -8.921 286 3HG2 ILE 35 3HG2 ILE 35 -7.976 0.932 -9.423 287 1HD1 ILE 35 1HD1 ILE 35 -9.339 4.945 -10.537 288 2HD1 ILE 35 2HD1 ILE 35 -7.757 4.980 -11.316 289 3HD1 ILE 35 3HD1 ILE 35 -7.934 4.271 -9.711 290 H GLY 36 H GLY 36 -12.263 -0.207 -11.408 291 1HA GLY 36 2HA GLY 36 -12.532 -1.097 -8.581 292 2HA GLY 36 1HA GLY 36 -13.855 -0.981 -9.744 293 H ASP 37 H ASP 37 -13.049 -2.372 -11.888 294 HA ASP 37 HA ASP 37 -13.336 -5.117 -11.128 295 1HB ASP 37 2HB ASP 37 -12.378 -3.760 -13.663 296 2HB ASP 37 1HB ASP 37 -12.780 -5.473 -13.563 297 H THR 38 H THR 38 -10.444 -3.322 -12.289 298 HA THR 38 HA THR 38 -8.651 -5.566 -12.052 299 HB THR 38 HB THR 38 -8.245 -3.571 -13.456 300 HG1 THR 38 1HG THR 38 -6.077 -3.227 -12.748 301 1HG2 THR 38 1HG2 THR 38 -8.050 -2.155 -10.789 302 2HG2 THR 38 2HG2 THR 38 -9.180 -1.812 -12.098 303 3HG2 THR 38 3HG2 THR 38 -7.463 -1.472 -12.303 304 H ALA 39 H ALA 39 -9.773 -3.104 -9.812 305 HA ALA 39 HA ALA 39 -7.817 -3.571 -7.725 306 1HB ALA 39 1HB ALA 39 -9.666 -2.414 -6.364 307 2HB ALA 39 2HB ALA 39 -10.596 -2.372 -7.861 308 3HB ALA 39 3HB ALA 39 -9.055 -1.519 -7.756 309 H LYS 40 H LYS 40 -10.822 -5.092 -8.693 310 HA LYS 40 HA LYS 40 -11.222 -6.614 -6.231 311 1HB LYS 40 2HB LYS 40 -12.344 -6.513 -9.020 312 2HB LYS 40 1HB LYS 40 -12.719 -7.904 -8.002 313 1HG LYS 40 2HG LYS 40 -13.409 -6.224 -6.202 314 2HG LYS 40 1HG LYS 40 -13.333 -4.993 -7.463 315 1HD LYS 40 2HD LYS 40 -15.579 -5.650 -7.554 316 2HD LYS 40 1HD LYS 40 -14.848 -6.648 -8.811 317 1HE LYS 40 2HE LYS 40 -14.752 -8.567 -7.344 318 2HE LYS 40 1HE LYS 40 -15.232 -7.583 -5.947 319 1HZ LYS 40 1HZ LYS 40 -17.136 -8.745 -6.932 320 2HZ LYS 40 2HZ LYS 40 -16.850 -7.960 -8.412 321 3HZ LYS 40 3HZ LYS 40 -17.305 -7.061 -7.044 322 H LYS 41 H LYS 41 -9.784 -7.148 -9.421 323 HA LYS 41 HA LYS 41 -9.123 -9.948 -9.004 324 1HB LYS 41 2HB LYS 41 -9.333 -8.494 -11.168 325 2HB LYS 41 1HB LYS 41 -7.666 -8.030 -10.826 326 1HG LYS 41 2HG LYS 41 -6.878 -10.245 -11.050 327 2HG LYS 41 1HG LYS 41 -8.495 -10.929 -10.882 328 1HD LYS 41 2HD LYS 41 -9.151 -10.134 -13.048 329 2HD LYS 41 1HD LYS 41 -7.696 -9.147 -13.194 330 1HE LYS 41 2HE LYS 41 -6.295 -11.163 -13.261 331 2HE LYS 41 1HE LYS 41 -7.729 -12.185 -13.041 332 1HZ LYS 41 1HZ LYS 41 -8.680 -11.251 -15.044 333 2HZ LYS 41 2HZ LYS 41 -7.162 -11.928 -15.395 334 3HZ LYS 41 3HZ LYS 41 -7.332 -10.243 -15.257 335 H LEU 42 H LEU 42 -7.135 -6.970 -9.022 336 HA LEU 42 HA LEU 42 -4.649 -7.930 -8.217 337 1HB LEU 42 2HB LEU 42 -6.234 -5.449 -7.967 338 2HB LEU 42 1HB LEU 42 -4.890 -5.575 -6.835 339 HG LEU 42 HG LEU 42 -3.361 -6.056 -8.730 340 1HD1 LEU 42 1HD1 LEU 42 -4.078 -5.997 -10.982 341 2HD1 LEU 42 2HD1 LEU 42 -5.620 -5.252 -10.562 342 3HD1 LEU 42 3HD1 LEU 42 -5.323 -6.946 -10.173 343 1HD2 LEU 42 1HD2 LEU 42 -3.104 -3.821 -9.251 344 2HD2 LEU 42 2HD2 LEU 42 -4.194 -3.682 -7.872 345 3HD2 LEU 42 3HD2 LEU 42 -4.831 -3.576 -9.514 346 H GLY 43 H GLY 43 -7.121 -6.691 -5.919 347 1HA GLY 43 2HA GLY 43 -5.843 -7.386 -3.519 348 2HA GLY 43 1HA GLY 43 -7.600 -7.326 -3.700 349 H GLU 44 H GLU 44 -7.501 -9.454 -5.807 350 HA GLU 44 HA GLU 44 -7.758 -11.773 -4.074 351 1HB GLU 44 2HB GLU 44 -8.886 -11.125 -6.359 352 2HB GLU 44 1HB GLU 44 -7.441 -11.841 -7.075 353 1HG GLU 44 2HG GLU 44 -7.864 -13.944 -5.879 354 2HG GLU 44 1HG GLU 44 -9.287 -13.235 -5.113 355 H MET 45 H MET 45 -5.338 -10.572 -6.390 356 HA MET 45 HA MET 45 -3.560 -12.869 -6.058 357 1HB MET 45 2HB MET 45 -3.478 -10.164 -7.398 358 2HB MET 45 1HB MET 45 -2.035 -11.175 -7.326 359 1HG MET 45 2HG MET 45 -3.258 -13.014 -8.420 360 2HG MET 45 1HG MET 45 -4.710 -12.016 -8.482 361 1HE MET 45 1HE MET 45 -4.191 -12.848 -11.439 362 2HE MET 45 2HE MET 45 -4.522 -11.193 -11.940 363 3HE MET 45 3HE MET 45 -5.330 -11.853 -10.521 364 H TRP 46 H TRP 46 -3.679 -9.489 -4.888 365 HA TRP 46 HA TRP 46 -1.217 -9.300 -3.525 366 1HB TRP 46 2HB TRP 46 -2.772 -7.453 -3.812 367 2HB TRP 46 1HB TRP 46 -3.988 -8.254 -2.828 368 HD1 TRP 46 HD TRP 46 -4.089 -7.186 -0.519 369 HE1 TRP 46 1HE TRP 46 -2.385 -6.199 1.144 370 HE3 TRP 46 3HE TRP 46 0.186 -7.793 -3.205 371 HZ2 TRP 46 2HZ TRP 46 0.437 -5.732 1.304 372 HZ3 TRP 46 3HZ TRP 46 2.373 -7.075 -2.287 373 HH2 TRP 46 HH TRP 46 2.500 -6.049 -0.039 374 H SER 47 H SER 47 -4.303 -10.673 -2.332 375 HA SER 47 HA SER 47 -3.314 -11.408 0.276 376 1HB SER 47 2HB SER 47 -5.707 -11.124 -0.453 377 2HB SER 47 1HB SER 47 -5.556 -12.616 -1.378 378 HG SER 47 HG SER 47 -6.247 -12.435 1.092 379 H GLU 48 H GLU 48 -2.548 -12.673 -2.803 380 HA GLU 48 HA GLU 48 -1.934 -15.375 -1.726 381 1HB GLU 48 2HB GLU 48 -2.458 -14.170 -4.444 382 2HB GLU 48 1HB GLU 48 -1.691 -15.750 -4.284 383 1HG GLU 48 2HG GLU 48 -3.651 -16.400 -2.777 384 2HG GLU 48 1HG GLU 48 -4.439 -14.924 -3.333 385 H GLN 49 H GLN 49 -0.466 -12.357 -2.577 386 HA GLN 49 HA GLN 49 2.019 -13.252 -3.663 387 1HB GLN 49 2HB GLN 49 1.300 -10.867 -1.916 388 2HB GLN 49 1HB GLN 49 2.787 -11.012 -2.851 389 1HG GLN 49 2HG GLN 49 -0.009 -11.048 -4.017 390 2HG GLN 49 1HG GLN 49 1.078 -9.663 -4.038 391 1HE2 GLN 49 1HE2 GLN 49 0.021 -11.165 -6.390 392 2HE2 GLN 49 2HE2 GLN 49 1.384 -11.749 -7.218 393 H SER 50 H SER 50 3.933 -13.843 -2.619 394 HA SER 50 HA SER 50 3.678 -14.744 0.196 395 1HB SER 50 2HB SER 50 5.688 -16.028 -0.370 396 2HB SER 50 1HB SER 50 4.513 -16.217 -1.668 397 HG SER 50 HG SER 50 5.749 -15.074 -2.964 398 H ALA 51 H ALA 51 6.625 -14.524 0.586 399 HA ALA 51 HA ALA 51 6.690 -11.786 1.604 400 1HB ALA 51 1HB ALA 51 8.578 -14.147 1.515 401 2HB ALA 51 2HB ALA 51 7.732 -13.478 2.910 402 3HB ALA 51 3HB ALA 51 9.080 -12.598 2.190 403 H LYS 52 H LYS 52 7.437 -13.173 -1.451 404 HA LYS 52 HA LYS 52 9.692 -11.469 -2.154 405 1HB LYS 52 2HB LYS 52 8.931 -13.746 -3.112 406 2HB LYS 52 1HB LYS 52 7.739 -12.820 -4.026 407 1HG LYS 52 2HG LYS 52 9.544 -12.909 -5.516 408 2HG LYS 52 1HG LYS 52 9.788 -11.352 -4.723 409 1HD LYS 52 2HD LYS 52 11.509 -12.194 -3.338 410 2HD LYS 52 1HD LYS 52 11.054 -13.870 -3.646 411 1HE LYS 52 2HE LYS 52 11.617 -13.284 -6.149 412 2HE LYS 52 1HE LYS 52 12.563 -11.968 -5.424 413 1HZ LYS 52 1HZ LYS 52 12.732 -14.835 -4.653 414 2HZ LYS 52 2HZ LYS 52 13.638 -13.567 -3.977 415 3HZ LYS 52 3HZ LYS 52 13.872 -14.011 -5.600 416 H ASP 53 H ASP 53 6.181 -11.414 -2.845 417 HA ASP 53 HA ASP 53 6.478 -8.559 -3.733 418 1HB ASP 53 2HB ASP 53 5.043 -10.940 -4.750 419 2HB ASP 53 1HB ASP 53 4.103 -9.448 -4.755 420 H LYS 54 H LYS 54 6.268 -8.761 -1.094 421 HA LYS 54 HA LYS 54 3.703 -7.573 -0.454 422 1HB LYS 54 2HB LYS 54 3.704 -10.278 -0.598 423 2HB LYS 54 1HB LYS 54 4.128 -10.054 1.091 424 1HG LYS 54 2HG LYS 54 2.138 -8.408 1.176 425 2HG LYS 54 1HG LYS 54 1.666 -9.088 -0.375 426 1HD LYS 54 2HD LYS 54 0.463 -10.328 1.263 427 2HD LYS 54 1HD LYS 54 1.778 -11.377 0.732 428 1HE LYS 54 2HE LYS 54 2.021 -11.577 3.043 429 2HE LYS 54 1HE LYS 54 3.052 -10.159 2.763 430 1HZ LYS 54 1HZ LYS 54 1.135 -8.732 3.126 431 2HZ LYS 54 2HZ LYS 54 1.405 -9.713 4.488 432 3HZ LYS 54 3HZ LYS 54 0.150 -10.083 3.405 433 H GLN 55 H GLN 55 6.764 -8.952 0.689 434 HA GLN 55 HA GLN 55 6.601 -7.799 3.356 435 1HB GLN 55 2HB GLN 55 8.595 -9.228 1.650 436 2HB GLN 55 1HB GLN 55 9.188 -8.370 3.069 437 1HG GLN 55 2HG GLN 55 6.888 -10.335 3.168 438 2HG GLN 55 1HG GLN 55 8.562 -10.797 3.473 439 1HE2 GLN 55 1HE2 GLN 55 5.787 -9.891 5.078 440 2HE2 GLN 55 2HE2 GLN 55 6.480 -9.225 6.477 441 HA PRO 56 HA PRO 56 9.611 -4.545 1.578 442 1HB PRO 56 2HB PRO 56 9.878 -4.315 -1.134 443 2HB PRO 56 1HB PRO 56 10.913 -5.363 -0.144 444 1HG PRO 56 2HG PRO 56 8.590 -6.070 -1.854 445 2HG PRO 56 1HG PRO 56 10.098 -6.951 -1.577 446 1HD PRO 56 2HD PRO 56 7.720 -7.584 -0.402 447 2HD PRO 56 1HD PRO 56 9.304 -7.976 0.297 448 H TYR 57 H TYR 57 6.489 -5.252 0.326 449 HA TYR 57 HA TYR 57 5.977 -2.533 -0.702 450 1HB TYR 57 2HB TYR 57 4.426 -5.110 -0.400 451 2HB TYR 57 1HB TYR 57 3.637 -3.619 -0.919 452 HD1 TYR 57 1HD TYR 57 5.388 -2.276 -2.681 453 HD2 TYR 57 2HD TYR 57 4.889 -6.513 -2.194 454 HE1 TYR 57 1HE TYR 57 6.226 -2.638 -4.986 455 HE2 TYR 57 2HE TYR 57 5.727 -6.877 -4.500 456 HH TYR 57 HH TYR 57 7.419 -4.718 -6.199 457 H GLU 58 H GLU 58 5.269 -4.500 2.161 458 HA GLU 58 HA GLU 58 3.446 -2.527 3.326 459 1HB GLU 58 2HB GLU 58 3.592 -4.061 5.288 460 2HB GLU 58 1HB GLU 58 3.226 -4.913 3.792 461 1HG GLU 58 2HG GLU 58 5.185 -6.064 3.825 462 2HG GLU 58 1HG GLU 58 6.105 -4.653 4.337 463 H GLN 59 H GLN 59 6.908 -3.036 3.284 464 HA GLN 59 HA GLN 59 7.373 -1.316 5.648 465 1HB GLN 59 2HB GLN 59 9.205 -2.666 3.639 466 2HB GLN 59 1HB GLN 59 9.742 -1.858 5.110 467 1HG GLN 59 2HG GLN 59 8.300 -3.436 6.430 468 2HG GLN 59 1HG GLN 59 7.963 -4.305 4.933 469 1HE2 GLN 59 1HE2 GLN 59 9.798 -5.413 3.870 470 2HE2 GLN 59 2HE2 GLN 59 11.197 -5.795 4.752 471 H LYS 60 H LYS 60 6.876 -0.957 2.273 472 HA LYS 60 HA LYS 60 8.494 1.512 2.016 473 1HB LYS 60 2HB LYS 60 8.061 -0.431 0.287 474 2HB LYS 60 1HB LYS 60 6.541 0.416 0.000 475 1HG LYS 60 2HG LYS 60 9.017 2.072 0.045 476 2HG LYS 60 1HG LYS 60 8.787 1.016 -1.349 477 1HD LYS 60 2HD LYS 60 6.909 2.144 -2.074 478 2HD LYS 60 1HD LYS 60 6.452 2.642 -0.444 479 1HE LYS 60 2HE LYS 60 7.209 4.652 -1.475 480 2HE LYS 60 1HE LYS 60 8.611 4.109 -0.529 481 1HZ LYS 60 1HZ LYS 60 9.482 2.993 -2.455 482 2HZ LYS 60 2HZ LYS 60 9.186 4.617 -2.858 483 3HZ LYS 60 3HZ LYS 60 8.116 3.401 -3.373 484 H ALA 61 H ALA 61 5.168 0.398 2.351 485 HA ALA 61 HA ALA 61 4.019 3.096 2.020 486 1HB ALA 61 1HB ALA 61 3.155 0.559 1.535 487 2HB ALA 61 2HB ALA 61 2.057 1.910 1.811 488 3HB ALA 61 3HB ALA 61 2.462 0.820 3.136 489 H ALA 62 H ALA 62 4.944 0.837 4.567 490 HA ALA 62 HA ALA 62 3.564 1.993 6.784 491 1HB ALA 62 1HB ALA 62 6.186 0.509 6.452 492 2HB ALA 62 2HB ALA 62 4.636 -0.142 6.986 493 3HB ALA 62 3HB ALA 62 5.547 0.940 8.039 494 H LYS 63 H LYS 63 7.035 2.540 5.841 495 HA LYS 63 HA LYS 63 7.363 4.786 7.604 496 1HB LYS 63 2HB LYS 63 8.996 3.173 6.230 497 2HB LYS 63 1HB LYS 63 8.919 4.493 5.064 498 1HG LYS 63 2HG LYS 63 9.723 6.079 6.685 499 2HG LYS 63 1HG LYS 63 9.562 4.908 7.993 500 1HD LYS 63 2HD LYS 63 11.272 3.477 6.894 501 2HD LYS 63 1HD LYS 63 11.467 4.704 5.642 502 1HE LYS 63 2HE LYS 63 13.195 5.255 7.144 503 2HE LYS 63 1HE LYS 63 11.883 6.315 7.697 504 1HZ LYS 63 1HZ LYS 63 12.866 4.997 9.519 505 2HZ LYS 63 2HZ LYS 63 12.386 3.573 8.727 506 3HZ LYS 63 3HZ LYS 63 11.217 4.668 9.293 507 H LEU 64 H LEU 64 5.717 4.491 4.581 508 HA LEU 64 HA LEU 64 6.083 7.284 3.742 509 1HB LEU 64 2HB LEU 64 4.905 4.775 2.769 510 2HB LEU 64 1HB LEU 64 3.899 6.176 2.404 511 HG LEU 64 HG LEU 64 6.868 6.062 1.814 512 1HD1 LEU 64 1HD1 LEU 64 6.163 4.510 0.269 513 2HD1 LEU 64 2HD1 LEU 64 5.727 5.969 -0.620 514 3HD1 LEU 64 3HD1 LEU 64 4.498 5.091 0.290 515 1HD2 LEU 64 1HD2 LEU 64 6.328 7.992 0.369 516 2HD2 LEU 64 2HD2 LEU 64 5.873 8.316 2.042 517 3HD2 LEU 64 3HD2 LEU 64 4.638 7.888 0.860 518 H LYS 65 H LYS 65 3.724 5.301 5.455 519 HA LYS 65 HA LYS 65 1.593 7.238 5.600 520 1HB LYS 65 2HB LYS 65 1.291 4.842 6.003 521 2HB LYS 65 1HB LYS 65 2.420 4.889 7.357 522 1HG LYS 65 2HG LYS 65 0.918 6.081 8.723 523 2HG LYS 65 1HG LYS 65 -0.029 6.649 7.346 524 1HD LYS 65 2HD LYS 65 -1.376 4.949 8.276 525 2HD LYS 65 1HD LYS 65 -0.554 4.142 6.940 526 1HE LYS 65 2HE LYS 65 1.175 3.310 8.548 527 2HE LYS 65 1HE LYS 65 0.235 4.026 9.872 528 1HZ LYS 65 1HZ LYS 65 -0.789 2.054 7.896 529 2HZ LYS 65 2HZ LYS 65 -1.688 2.751 9.159 530 3HZ LYS 65 3HZ LYS 65 -0.391 1.709 9.508 531 H GLU 66 H GLU 66 4.233 6.367 7.835 532 HA GLU 66 HA GLU 66 3.684 8.199 9.932 533 1HB GLU 66 2HB GLU 66 5.359 6.296 9.836 534 2HB GLU 66 1HB GLU 66 6.408 7.358 8.896 535 1HG GLU 66 2HG GLU 66 7.185 7.742 11.061 536 2HG GLU 66 1HG GLU 66 6.006 9.041 10.876 537 H LYS 67 H LYS 67 5.316 8.687 6.829 538 HA LYS 67 HA LYS 67 6.417 11.296 7.371 539 1HB LYS 67 2HB LYS 67 6.918 9.606 5.494 540 2HB LYS 67 1HB LYS 67 5.471 10.231 4.701 541 1HG LYS 67 2HG LYS 67 6.535 12.568 5.069 542 2HG LYS 67 1HG LYS 67 8.034 11.681 5.341 543 1HD LYS 67 2HD LYS 67 7.785 10.586 3.140 544 2HD LYS 67 1HD LYS 67 6.294 11.488 2.864 545 1HE LYS 67 2HE LYS 67 7.916 12.804 1.754 546 2HE LYS 67 1HE LYS 67 7.799 13.596 3.339 547 1HZ LYS 67 1HZ LYS 67 9.620 12.234 4.131 548 2HZ LYS 67 2HZ LYS 67 10.110 13.102 2.754 549 3HZ LYS 67 3HZ LYS 67 9.731 11.450 2.632 550 H TYR 68 H TYR 68 3.250 10.159 6.355 551 HA TYR 68 HA TYR 68 2.144 12.647 5.414 552 1HB TYR 68 2HB TYR 68 1.298 10.262 5.140 553 2HB TYR 68 1HB TYR 68 0.753 10.338 6.812 554 HD1 TYR 68 1HD TYR 68 0.654 12.752 3.930 555 HD2 TYR 68 2HD TYR 68 -1.547 10.603 6.927 556 HE1 TYR 68 1HE TYR 68 -1.440 13.854 3.187 557 HE2 TYR 68 2HE TYR 68 -3.640 11.706 6.184 558 HH TYR 68 HH TYR 68 -4.375 12.810 3.768 559 H GLU 69 H GLU 69 2.435 11.149 8.583 560 HA GLU 69 HA GLU 69 0.720 12.815 10.114 561 1HB GLU 69 2HB GLU 69 3.341 11.455 10.821 562 2HB GLU 69 1HB GLU 69 2.162 12.039 11.996 563 1HG GLU 69 2HG GLU 69 0.518 10.554 10.480 564 2HG GLU 69 1HG GLU 69 2.019 9.680 10.179 565 H LYS 70 H LYS 70 4.193 13.243 9.305 566 HA LYS 70 HA LYS 70 4.361 15.791 10.744 567 1HB LYS 70 2HB LYS 70 6.138 14.140 8.937 568 2HB LYS 70 1HB LYS 70 6.633 15.740 9.489 569 1HG LYS 70 2HG LYS 70 7.531 14.407 11.169 570 2HG LYS 70 1HG LYS 70 5.954 14.793 11.860 571 1HD LYS 70 2HD LYS 70 5.045 12.681 11.216 572 2HD LYS 70 1HD LYS 70 6.421 12.330 10.169 573 1HE LYS 70 2HE LYS 70 6.936 11.067 12.087 574 2HE LYS 70 1HE LYS 70 7.806 12.580 12.412 575 1HZ LYS 70 1HZ LYS 70 5.856 13.408 13.580 576 2HZ LYS 70 2HZ LYS 70 6.410 11.970 14.295 577 3HZ LYS 70 3HZ LYS 70 5.037 11.951 13.293 578 H ASP 71 H ASP 71 4.112 14.668 7.392 579 HA ASP 71 HA ASP 71 4.383 17.172 6.041 580 1HB ASP 71 2HB ASP 71 3.331 14.451 5.563 581 2HB ASP 71 1HB ASP 71 2.598 15.689 4.551 582 H ILE 72 H ILE 72 1.437 15.420 7.028 583 HA ILE 72 HA ILE 72 -0.419 17.501 6.382 584 HB ILE 72 HB ILE 72 -0.406 15.135 8.276 585 1HG1 ILE 72 2HG1 ILE 72 -0.386 14.689 5.854 586 2HG1 ILE 72 1HG1 ILE 72 -1.908 14.181 6.581 587 1HG2 ILE 72 1HG2 ILE 72 -2.604 17.152 7.797 588 2HG2 ILE 72 2HG2 ILE 72 -2.036 16.490 9.329 589 3HG2 ILE 72 3HG2 ILE 72 -2.979 15.483 8.231 590 1HD1 ILE 72 1HD1 ILE 72 -2.827 16.481 5.887 591 2HD1 ILE 72 2HD1 ILE 72 -2.526 15.332 4.585 592 3HD1 ILE 72 3HD1 ILE 72 -1.382 16.635 4.890 593 H ALA 73 H ALA 73 1.508 16.868 9.290 594 HA ALA 73 HA ALA 73 0.263 18.637 11.127 595 1HB ALA 73 1HB ALA 73 2.433 18.560 12.261 596 2HB ALA 73 2HB ALA 73 3.219 18.040 10.771 597 3HB ALA 73 3HB ALA 73 2.073 16.973 11.583 598 H ALA 74 H ALA 74 2.922 19.322 8.825 599 HA ALA 74 HA ALA 74 3.202 22.106 9.473 600 1HB ALA 74 1HB ALA 74 3.808 20.495 6.973 601 2HB ALA 74 2HB ALA 74 4.910 20.806 8.313 602 3HB ALA 74 3HB ALA 74 4.399 22.129 7.266 603 H TYR 75 H TYR 75 0.845 20.388 7.579 604 HA TYR 75 HA TYR 75 -0.114 22.922 6.316 605 1HB TYR 75 2HB TYR 75 0.430 20.844 4.972 606 2HB TYR 75 1HB TYR 75 -0.913 20.043 5.788 607 HD1 TYR 75 1HD TYR 75 -0.020 22.953 3.637 608 HD2 TYR 75 2HD TYR 75 -3.160 20.416 5.104 609 HE1 TYR 75 1HE TYR 75 -1.602 23.980 2.027 610 HE2 TYR 75 2HE TYR 75 -4.743 21.442 3.493 611 HH TYR 75 HH TYR 75 -4.158 24.297 1.911 612 H ARG 76 H ARG 76 -0.712 20.893 8.970 613 HA ARG 76 HA ARG 76 -3.598 20.906 9.076 614 1HB ARG 76 2HB ARG 76 -1.659 19.619 10.387 615 2HB ARG 76 1HB ARG 76 -1.902 20.931 11.541 616 1HG ARG 76 2HG ARG 76 -4.349 20.407 11.549 617 2HG ARG 76 1HG ARG 76 -4.019 19.020 10.511 618 1HD ARG 76 2HD ARG 76 -3.914 17.975 12.585 619 2HD ARG 76 1HD ARG 76 -2.225 18.505 12.454 620 HE ARG 76 HE ARG 76 -4.341 19.898 14.024 621 1HH1 ARG 76 1HH2 ARG 76 -1.388 18.647 14.488 622 2HH1 ARG 76 2HH2 ARG 76 -0.598 20.098 15.004 623 1HH2 ARG 76 1HH1 ARG 76 -3.199 22.175 14.033 624 2HH2 ARG 76 2HH1 ARG 76 -1.623 22.096 14.747 625 H ALA 77 H ALA 77 -1.261 22.821 11.014 626 HA ALA 77 HA ALA 77 -3.378 24.884 11.429 627 1HB ALA 77 1HB ALA 77 -0.692 24.415 12.766 628 2HB ALA 77 2HB ALA 77 -2.238 23.818 13.368 629 3HB ALA 77 3HB ALA 77 -1.928 25.554 13.303 630 H LYS 78 H LYS 78 -2.968 25.637 9.128 631 HA LYS 78 HA LYS 78 -0.981 27.813 9.126 632 1HB LYS 78 2HB LYS 78 0.193 25.670 8.453 633 2HB LYS 78 1HB LYS 78 -0.873 25.606 7.049 634 1HG LYS 78 2HG LYS 78 0.027 27.586 6.126 635 2HG LYS 78 1HG LYS 78 0.761 28.068 7.656 636 1HD LYS 78 2HD LYS 78 2.210 25.983 7.481 637 2HD LYS 78 1HD LYS 78 1.618 25.815 5.828 638 1HE LYS 78 2HE LYS 78 2.559 27.946 5.188 639 2HE LYS 78 1HE LYS 78 2.956 28.333 6.875 640 1HZ LYS 78 1HZ LYS 78 4.007 26.012 5.343 641 2HZ LYS 78 2HZ LYS 78 4.379 26.385 6.958 642 3HZ LYS 78 3HZ LYS 78 4.880 27.419 5.708 Start of MODEL 8 1 1H MET 1 1HT MET 1 -10.839 10.285 1.288 2 2H MET 1 2HT MET 1 -9.834 11.648 1.430 3 3H MET 1 3HT MET 1 -10.799 11.441 0.047 4 HA MET 1 HA MET 1 -12.813 11.674 1.409 5 1HB MET 1 2HB MET 1 -10.623 11.787 3.475 6 2HB MET 1 1HB MET 1 -12.181 12.548 3.798 7 1HG MET 1 2HG MET 1 -13.321 10.404 3.322 8 2HG MET 1 1HG MET 1 -11.756 9.645 3.032 9 1HE MET 1 1HE MET 1 -10.311 8.736 6.184 10 2HE MET 1 2HE MET 1 -9.697 10.068 5.208 11 3HE MET 1 3HE MET 1 -10.423 8.669 4.421 12 H LYS 2 H LYS 2 -9.893 13.612 2.185 13 HA LYS 2 HA LYS 2 -11.112 15.934 0.756 14 1HB LYS 2 2HB LYS 2 -10.386 15.640 3.654 15 2HB LYS 2 1HB LYS 2 -10.204 17.219 2.890 16 1HG LYS 2 2HG LYS 2 -12.514 17.338 2.338 17 2HG LYS 2 1HG LYS 2 -12.758 15.621 2.663 18 1HD LYS 2 2HD LYS 2 -12.658 15.913 4.986 19 2HD LYS 2 1HD LYS 2 -11.797 17.446 4.853 20 1HE LYS 2 2HE LYS 2 -13.738 18.648 4.359 21 2HE LYS 2 1HE LYS 2 -14.575 17.223 3.714 22 1HZ LYS 2 1HZ LYS 2 -14.614 16.268 5.923 23 2HZ LYS 2 2HZ LYS 2 -15.365 17.791 5.946 24 3HZ LYS 2 3HZ LYS 2 -13.790 17.609 6.555 25 H LYS 3 H LYS 3 -9.531 17.429 -0.019 26 HA LYS 3 HA LYS 3 -6.665 16.917 0.551 27 1HB LYS 3 2HB LYS 3 -7.581 15.399 -1.317 28 2HB LYS 3 1HB LYS 3 -7.738 16.871 -2.278 29 1HG LYS 3 2HG LYS 3 -5.333 17.337 -1.956 30 2HG LYS 3 1HG LYS 3 -5.176 15.855 -1.012 31 1HD LYS 3 2HD LYS 3 -6.133 14.640 -3.063 32 2HD LYS 3 1HD LYS 3 -5.823 16.132 -3.950 33 1HE LYS 3 2HE LYS 3 -3.424 16.019 -3.190 34 2HE LYS 3 1HE LYS 3 -3.775 14.424 -2.496 35 1HZ LYS 3 1HZ LYS 3 -4.257 15.208 -5.322 36 2HZ LYS 3 2HZ LYS 3 -4.567 13.681 -4.644 37 3HZ LYS 3 3HZ LYS 3 -2.969 14.243 -4.786 38 H ASP 4 H ASP 4 -5.298 18.660 -0.352 39 HA ASP 4 HA ASP 4 -6.677 21.052 -1.430 40 1HB ASP 4 2HB ASP 4 -5.524 20.721 1.323 41 2HB ASP 4 1HB ASP 4 -5.439 22.302 0.546 42 HA PRO 5 HA PRO 5 -2.745 21.680 -3.321 43 1HB PRO 5 2HB PRO 5 -2.449 24.400 -3.323 44 2HB PRO 5 1HB PRO 5 -3.595 23.552 -4.381 45 1HG PRO 5 2HG PRO 5 -4.091 25.012 -1.837 46 2HG PRO 5 1HG PRO 5 -5.073 24.941 -3.309 47 1HD PRO 5 2HD PRO 5 -5.623 23.507 -1.051 48 2HD PRO 5 1HD PRO 5 -6.100 22.997 -2.685 49 H ASN 6 H ASN 6 -3.221 23.511 -0.308 50 HA ASN 6 HA ASN 6 -0.339 23.752 0.217 51 1HB ASN 6 2HB ASN 6 -2.884 24.364 1.746 52 2HB ASN 6 1HB ASN 6 -1.275 24.704 2.384 53 1HD2 ASN 6 1HD2 ASN 6 -3.782 26.168 0.749 54 2HD2 ASN 6 2HD2 ASN 6 -2.910 27.364 -0.082 55 H ALA 7 H ALA 7 -2.998 21.635 1.138 56 HA ALA 7 HA ALA 7 -1.575 20.327 3.334 57 1HB ALA 7 1HB ALA 7 -3.892 19.154 1.821 58 2HB ALA 7 2HB ALA 7 -4.137 20.622 2.767 59 3HB ALA 7 3HB ALA 7 -3.581 19.146 3.557 60 HA PRO 8 HA PRO 8 0.513 17.347 0.886 61 1HB PRO 8 2HB PRO 8 0.806 15.320 2.668 62 2HB PRO 8 1HB PRO 8 1.773 16.806 2.659 63 1HG PRO 8 2HG PRO 8 -0.300 15.969 4.516 64 2HG PRO 8 1HG PRO 8 0.940 17.211 4.634 65 1HD PRO 8 2HD PRO 8 -1.835 17.587 4.089 66 2HD PRO 8 1HD PRO 8 -0.563 18.813 4.252 67 H LYS 9 H LYS 9 0.426 14.795 0.477 68 HA LYS 9 HA LYS 9 -2.435 14.160 -0.146 69 1HB LYS 9 2HB LYS 9 0.217 13.259 -1.318 70 2HB LYS 9 1HB LYS 9 -1.354 12.676 -1.865 71 1HG LYS 9 2HG LYS 9 -1.207 14.419 -3.330 72 2HG LYS 9 1HG LYS 9 -1.775 15.364 -1.953 73 1HD LYS 9 2HD LYS 9 0.659 15.692 -1.309 74 2HD LYS 9 1HD LYS 9 1.086 14.982 -2.866 75 1HE LYS 9 2HE LYS 9 -0.083 16.746 -4.063 76 2HE LYS 9 1HE LYS 9 -0.715 17.410 -2.543 77 1HZ LYS 9 1HZ LYS 9 1.578 17.699 -1.782 78 2HZ LYS 9 2HZ LYS 9 1.279 18.595 -3.193 79 3HZ LYS 9 3HZ LYS 9 2.154 17.141 -3.276 80 H ARG 10 H ARG 10 -3.330 12.244 0.619 81 HA ARG 10 HA ARG 10 -2.415 10.953 2.925 82 1HB ARG 10 2HB ARG 10 -4.041 9.184 2.265 83 2HB ARG 10 1HB ARG 10 -4.687 10.804 2.008 84 1HG ARG 10 2HG ARG 10 -4.020 10.665 -0.386 85 2HG ARG 10 1HG ARG 10 -3.460 9.014 -0.112 86 1HD ARG 10 2HD ARG 10 -6.242 9.630 0.772 87 2HD ARG 10 1HD ARG 10 -5.957 9.530 -0.977 88 HE ARG 10 HE ARG 10 -5.218 7.244 -0.695 89 1HH1 ARG 10 1HH2 ARG 10 -7.608 7.820 1.342 90 2HH1 ARG 10 2HH2 ARG 10 -7.081 6.814 2.650 91 1HH2 ARG 10 1HH1 ARG 10 -3.888 6.370 1.372 92 2HH2 ARG 10 2HH1 ARG 10 -4.976 5.992 2.666 93 HA PRO 11 HA PRO 11 0.925 8.464 1.358 94 1HB PRO 11 2HB PRO 11 1.299 6.843 3.526 95 2HB PRO 11 1HB PRO 11 1.824 8.537 3.487 96 1HG PRO 11 2HG PRO 11 -0.544 7.318 4.794 97 2HG PRO 11 1HG PRO 11 0.470 8.668 5.322 98 1HD PRO 11 2HD PRO 11 -2.012 8.933 4.157 99 2HD PRO 11 1HD PRO 11 -0.765 10.197 4.183 100 HA PRO 12 HA PRO 12 -0.818 4.651 -0.033 101 1HB PRO 12 2HB PRO 12 1.240 2.852 0.138 102 2HB PRO 12 1HB PRO 12 1.183 4.138 -1.083 103 1HG PRO 12 2HG PRO 12 2.704 4.015 1.470 104 2HG PRO 12 1HG PRO 12 3.193 4.658 -0.105 105 1HD PRO 12 2HD PRO 12 2.391 6.226 1.972 106 2HD PRO 12 1HD PRO 12 2.195 6.684 0.265 107 H SER 13 H SER 13 -0.411 1.993 0.777 108 HA SER 13 HA SER 13 -0.446 1.699 3.671 109 1HB SER 13 2HB SER 13 -2.596 2.888 3.174 110 2HB SER 13 1HB SER 13 -3.072 1.526 2.163 111 HG SER 13 HG SER 13 -3.656 1.661 4.573 112 H ALA 14 H ALA 14 0.958 0.283 1.623 113 HA ALA 14 HA ALA 14 1.516 -1.940 1.143 114 1HB ALA 14 1HB ALA 14 0.063 -2.118 3.490 115 2HB ALA 14 2HB ALA 14 0.865 -3.473 2.697 116 3HB ALA 14 3HB ALA 14 -0.847 -3.168 2.403 117 H PHE 15 H PHE 15 -2.080 -2.091 1.256 118 HA PHE 15 HA PHE 15 -2.380 -3.492 -1.181 119 1HB PHE 15 2HB PHE 15 -4.113 -3.156 0.559 120 2HB PHE 15 1HB PHE 15 -4.207 -1.448 0.131 121 HD1 PHE 15 1HD PHE 15 -4.088 -4.663 -1.812 122 HD2 PHE 15 2HD PHE 15 -6.115 -0.943 -1.105 123 HE1 PHE 15 1HE PHE 15 -5.696 -5.194 -3.622 124 HE2 PHE 15 2HE PHE 15 -7.725 -1.477 -2.915 125 HZ PHE 15 HZ PHE 15 -7.514 -3.605 -4.176 126 H PHE 16 H PHE 16 -1.769 -0.077 -0.624 127 HA PHE 16 HA PHE 16 -2.607 0.800 -3.280 128 1HB PHE 16 2HB PHE 16 -2.238 2.017 -0.913 129 2HB PHE 16 1HB PHE 16 -0.646 2.322 -1.609 130 HD1 PHE 16 1HD PHE 16 -0.508 3.402 -3.916 131 HD2 PHE 16 2HD PHE 16 -4.131 3.260 -1.613 132 HE1 PHE 16 1HE PHE 16 -1.458 5.227 -5.299 133 HE2 PHE 16 2HE PHE 16 -5.082 5.086 -2.996 134 HZ PHE 16 HZ PHE 16 -3.745 6.069 -4.840 135 H LEU 17 H LEU 17 0.448 -0.283 -1.818 136 HA LEU 17 HA LEU 17 2.213 0.561 -3.931 137 1HB LEU 17 2HB LEU 17 2.182 -1.546 -1.778 138 2HB LEU 17 1HB LEU 17 3.454 -1.599 -2.994 139 HG LEU 17 HG LEU 17 4.176 -0.324 -1.007 140 1HD1 LEU 17 1HD1 LEU 17 3.717 1.675 -3.215 141 2HD1 LEU 17 2HD1 LEU 17 4.803 0.304 -3.441 142 3HD1 LEU 17 3HD1 LEU 17 5.128 1.487 -2.174 143 1HD2 LEU 17 1HD2 LEU 17 3.079 1.789 -0.428 144 2HD2 LEU 17 2HD2 LEU 17 1.912 0.470 -0.342 145 3HD2 LEU 17 3HD2 LEU 17 1.908 1.561 -1.728 146 H PHE 18 H PHE 18 1.444 -2.835 -3.334 147 HA PHE 18 HA PHE 18 1.779 -4.061 -5.753 148 1HB PHE 18 2HB PHE 18 0.991 -5.204 -3.767 149 2HB PHE 18 1HB PHE 18 -0.534 -4.325 -3.805 150 HD1 PHE 18 1HD PHE 18 -2.321 -4.973 -5.281 151 HD2 PHE 18 2HD PHE 18 1.486 -6.952 -5.473 152 HE1 PHE 18 1HE PHE 18 -3.314 -6.747 -6.695 153 HE2 PHE 18 2HE PHE 18 0.489 -8.728 -6.890 154 HZ PHE 18 HZ PHE 18 -1.916 -8.628 -7.498 155 H CYS 19 H CYS 19 -1.367 -2.501 -4.904 156 HA CYS 19 HA CYS 19 -2.629 -2.717 -7.423 157 1HB CYS 19 2HB CYS 19 -2.723 -0.793 -5.108 158 2HB CYS 19 1HB CYS 19 -3.763 -0.536 -6.501 159 HG CYS 19 HG CYS 19 -5.118 -2.057 -4.909 160 H SER 20 H SER 20 -0.802 0.047 -6.118 161 HA SER 20 HA SER 20 -0.862 1.754 -8.364 162 1HB SER 20 2HB SER 20 1.118 1.295 -6.135 163 2HB SER 20 1HB SER 20 1.347 2.581 -7.316 164 HG SER 20 HG SER 20 -0.457 3.564 -6.610 165 H GLU 21 H GLU 21 1.273 -1.032 -7.763 166 HA GLU 21 HA GLU 21 2.924 -0.358 -10.122 167 1HB GLU 21 2HB GLU 21 4.251 -2.290 -9.380 168 2HB GLU 21 1HB GLU 21 3.920 -1.214 -8.027 169 1HG GLU 21 2HG GLU 21 2.375 -2.685 -7.066 170 2HG GLU 21 1HG GLU 21 2.072 -3.523 -8.585 171 H HIS 22 H HIS 22 0.245 -2.493 -9.312 172 HA HIS 22 HA HIS 22 0.572 -3.946 -11.900 173 1HB HIS 22 2HB HIS 22 -1.007 -4.384 -9.356 174 2HB HIS 22 1HB HIS 22 -1.258 -5.365 -10.799 175 HD1 HIS 22 1HD HIS 22 1.201 -6.333 -11.799 176 HD2 HIS 22 2HD HIS 22 0.916 -5.482 -7.729 177 HE1 HIS 22 1HE HIS 22 3.082 -7.599 -10.669 178 H ARG 23 H ARG 23 -0.604 -1.084 -11.345 179 HA ARG 23 HA ARG 23 -3.412 -1.416 -12.147 180 1HB ARG 23 2HB ARG 23 -2.682 0.281 -10.518 181 2HB ARG 23 1HB ARG 23 -1.665 1.031 -11.742 182 1HG ARG 23 2HG ARG 23 -3.603 1.576 -13.101 183 2HG ARG 23 1HG ARG 23 -4.663 0.687 -12.007 184 1HD ARG 23 2HD ARG 23 -2.966 2.987 -11.014 185 2HD ARG 23 1HD ARG 23 -4.586 3.246 -11.690 186 HE ARG 23 HE ARG 23 -5.164 1.293 -9.957 187 1HH1 ARG 23 1HH1 ARG 23 -5.637 4.075 -9.033 188 2HH1 ARG 23 2HH1 ARG 23 -4.697 4.156 -7.580 189 1HH2 ARG 23 1HH2 ARG 23 -2.815 1.340 -8.326 190 2HH2 ARG 23 2HH2 ARG 23 -3.099 2.608 -7.181 191 HA PRO 24 HA PRO 24 -1.755 0.522 -16.169 192 1HB PRO 24 2HB PRO 24 0.928 0.511 -16.674 193 2HB PRO 24 1HB PRO 24 0.108 1.847 -15.842 194 1HG PRO 24 2HG PRO 24 1.795 -0.317 -14.734 195 2HG PRO 24 1HG PRO 24 1.604 1.358 -14.198 196 1HD PRO 24 2HD PRO 24 0.431 -0.850 -13.015 197 2HD PRO 24 1HD PRO 24 -0.099 0.831 -12.810 198 H LYS 25 H LYS 25 -0.663 -2.414 -14.777 199 HA LYS 25 HA LYS 25 0.164 -3.695 -17.293 200 1HB LYS 25 2HB LYS 25 1.070 -4.143 -14.956 201 2HB LYS 25 1HB LYS 25 -0.475 -4.911 -14.589 202 1HG LYS 25 2HG LYS 25 -0.101 -6.680 -16.058 203 2HG LYS 25 1HG LYS 25 1.032 -5.754 -17.043 204 1HD LYS 25 2HD LYS 25 2.520 -7.107 -15.896 205 2HD LYS 25 1HD LYS 25 2.440 -5.735 -14.789 206 1HE LYS 25 2HE LYS 25 2.058 -7.532 -13.326 207 2HE LYS 25 1HE LYS 25 0.396 -7.091 -13.767 208 1HZ LYS 25 1HZ LYS 25 0.490 -8.686 -15.583 209 2HZ LYS 25 2HZ LYS 25 0.780 -9.461 -14.099 210 3HZ LYS 25 3HZ LYS 25 2.072 -9.121 -15.151 211 H ILE 26 H ILE 26 -2.653 -3.631 -15.138 212 HA ILE 26 HA ILE 26 -4.145 -5.709 -16.500 213 HB ILE 26 HB ILE 26 -4.996 -3.400 -14.716 214 1HG1 ILE 26 2HG1 ILE 26 -3.324 -4.874 -13.665 215 2HG1 ILE 26 1HG1 ILE 26 -4.900 -5.087 -12.909 216 1HG2 ILE 26 1HG2 ILE 26 -6.859 -5.175 -14.194 217 2HG2 ILE 26 2HG2 ILE 26 -6.430 -5.821 -15.778 218 3HG2 ILE 26 3HG2 ILE 26 -7.009 -4.161 -15.629 219 1HD1 ILE 26 1HD1 ILE 26 -3.280 -7.014 -14.420 220 2HD1 ILE 26 2HD1 ILE 26 -4.957 -6.947 -14.961 221 3HD1 ILE 26 3HD1 ILE 26 -4.589 -7.303 -13.274 222 H LYS 27 H LYS 27 -3.465 -2.407 -17.285 223 HA LYS 27 HA LYS 27 -5.907 -1.923 -18.832 224 1HB LYS 27 2HB LYS 27 -3.288 -0.546 -18.288 225 2HB LYS 27 1HB LYS 27 -4.345 0.051 -19.570 226 1HG LYS 27 2HG LYS 27 -6.223 -0.037 -17.792 227 2HG LYS 27 1HG LYS 27 -4.914 -0.151 -16.615 228 1HD LYS 27 2HD LYS 27 -4.044 1.969 -17.202 229 2HD LYS 27 1HD LYS 27 -4.942 2.010 -18.720 230 1HE LYS 27 2HE LYS 27 -7.074 1.957 -17.246 231 2HE LYS 27 1HE LYS 27 -5.992 2.410 -15.915 232 1HZ LYS 27 1HZ LYS 27 -5.193 4.267 -17.190 233 2HZ LYS 27 2HZ LYS 27 -6.887 4.358 -17.105 234 3HZ LYS 27 3HZ LYS 27 -6.133 3.817 -18.528 235 H SER 28 H SER 28 -2.903 -3.544 -19.415 236 HA SER 28 HA SER 28 -2.747 -3.050 -22.282 237 1HB SER 28 2HB SER 28 -0.959 -4.684 -22.150 238 2HB SER 28 1HB SER 28 -0.870 -3.677 -20.708 239 HG SER 28 HG SER 28 -0.794 -5.713 -19.944 240 H GLU 29 H GLU 29 -3.817 -5.821 -20.278 241 HA GLU 29 HA GLU 29 -4.896 -7.203 -22.663 242 1HB GLU 29 2HB GLU 29 -4.638 -7.833 -19.713 243 2HB GLU 29 1HB GLU 29 -5.410 -8.931 -20.858 244 1HG GLU 29 2HG GLU 29 -3.251 -8.707 -22.250 245 2HG GLU 29 1HG GLU 29 -2.534 -8.018 -20.794 246 H HIS 30 H HIS 30 -6.078 -4.712 -20.865 247 HA HIS 30 HA HIS 30 -8.887 -5.498 -21.403 248 1HB HIS 30 2HB HIS 30 -7.872 -4.608 -18.681 249 2HB HIS 30 1HB HIS 30 -9.550 -4.937 -19.091 250 HD1 HIS 30 1HD HIS 30 -10.286 -7.393 -19.268 251 HD2 HIS 30 2HD HIS 30 -6.216 -6.947 -18.506 252 HE1 HIS 30 1HE HIS 30 -9.420 -9.690 -18.642 253 HA PRO 31 HA PRO 31 -7.825 -1.093 -22.381 254 1HB PRO 31 2HB PRO 31 -9.346 -0.996 -24.665 255 2HB PRO 31 1HB PRO 31 -7.661 -1.557 -24.644 256 1HG PRO 31 2HG PRO 31 -10.185 -3.157 -24.618 257 2HG PRO 31 1HG PRO 31 -8.698 -3.417 -25.546 258 1HD PRO 31 2HD PRO 31 -9.234 -4.828 -23.318 259 2HD PRO 31 1HD PRO 31 -7.577 -4.347 -23.748 260 H GLY 32 H GLY 32 -9.032 0.142 -20.987 261 1HA GLY 32 2HA GLY 32 -11.073 1.500 -20.737 262 2HA GLY 32 1HA GLY 32 -12.001 0.116 -21.313 263 H LEU 33 H LEU 33 -10.083 -1.583 -19.514 264 HA LEU 33 HA LEU 33 -11.782 -2.120 -17.366 265 1HB LEU 33 2HB LEU 33 -9.473 -3.106 -18.308 266 2HB LEU 33 1HB LEU 33 -8.830 -2.225 -16.925 267 HG LEU 33 HG LEU 33 -9.360 -4.552 -16.311 268 1HD1 LEU 33 1HD1 LEU 33 -10.378 -4.046 -14.282 269 2HD1 LEU 33 2HD1 LEU 33 -11.507 -2.905 -15.012 270 3HD1 LEU 33 3HD1 LEU 33 -9.815 -2.455 -14.794 271 1HD2 LEU 33 1HD2 LEU 33 -12.285 -3.968 -16.692 272 2HD2 LEU 33 2HD2 LEU 33 -11.466 -5.528 -16.591 273 3HD2 LEU 33 3HD2 LEU 33 -11.330 -4.553 -18.055 274 H SER 34 H SER 34 -12.603 -0.513 -16.096 275 HA SER 34 HA SER 34 -11.148 1.822 -15.209 276 1HB SER 34 2HB SER 34 -13.197 1.806 -13.572 277 2HB SER 34 1HB SER 34 -13.494 1.999 -15.296 278 HG SER 34 HG SER 34 -14.738 0.339 -14.050 279 H ILE 35 H ILE 35 -11.556 2.007 -12.491 280 HA ILE 35 HA ILE 35 -9.516 0.147 -11.432 281 HB ILE 35 HB ILE 35 -10.977 2.521 -10.223 282 1HG1 ILE 35 2HG1 ILE 35 -9.667 3.139 -12.224 283 2HG1 ILE 35 1HG1 ILE 35 -8.911 3.775 -10.765 284 1HG2 ILE 35 1HG2 ILE 35 -8.689 0.798 -9.305 285 2HG2 ILE 35 2HG2 ILE 35 -10.081 1.376 -8.389 286 3HG2 ILE 35 3HG2 ILE 35 -8.776 2.487 -8.806 287 1HD1 ILE 35 1HD1 ILE 35 -7.183 2.804 -12.174 288 2HD1 ILE 35 2HD1 ILE 35 -8.081 1.291 -12.296 289 3HD1 ILE 35 3HD1 ILE 35 -7.387 1.782 -10.750 290 H GLY 36 H GLY 36 -12.615 -0.452 -11.928 291 1HA GLY 36 2HA GLY 36 -13.371 -1.259 -9.181 292 2HA GLY 36 1HA GLY 36 -14.416 -1.328 -10.602 293 H ASP 37 H ASP 37 -13.369 -2.859 -12.393 294 HA ASP 37 HA ASP 37 -13.411 -5.534 -11.361 295 1HB ASP 37 2HB ASP 37 -12.500 -4.289 -13.969 296 2HB ASP 37 1HB ASP 37 -12.597 -6.032 -13.727 297 H THR 38 H THR 38 -10.713 -3.444 -12.426 298 HA THR 38 HA THR 38 -8.602 -5.338 -12.074 299 HB THR 38 HB THR 38 -8.850 -2.319 -12.064 300 HG1 THR 38 1HG THR 38 -7.849 -2.585 -14.040 301 1HG2 THR 38 1HG2 THR 38 -6.369 -3.973 -11.563 302 2HG2 THR 38 2HG2 THR 38 -6.932 -2.554 -10.681 303 3HG2 THR 38 3HG2 THR 38 -6.275 -2.377 -12.308 304 H ALA 39 H ALA 39 -10.210 -3.139 -9.796 305 HA ALA 39 HA ALA 39 -8.430 -3.528 -7.563 306 1HB ALA 39 1HB ALA 39 -10.510 -2.736 -6.306 307 2HB ALA 39 2HB ALA 39 -11.349 -2.761 -7.857 308 3HB ALA 39 3HB ALA 39 -9.976 -1.682 -7.615 309 H LYS 40 H LYS 40 -11.130 -5.363 -8.867 310 HA LYS 40 HA LYS 40 -11.436 -7.115 -6.546 311 1HB LYS 40 2HB LYS 40 -12.440 -6.970 -9.385 312 2HB LYS 40 1HB LYS 40 -12.752 -8.407 -8.412 313 1HG LYS 40 2HG LYS 40 -13.576 -6.717 -6.606 314 2HG LYS 40 1HG LYS 40 -13.687 -5.583 -7.953 315 1HD LYS 40 2HD LYS 40 -15.328 -6.848 -9.052 316 2HD LYS 40 1HD LYS 40 -14.909 -8.324 -8.182 317 1HE LYS 40 2HE LYS 40 -16.992 -7.509 -7.245 318 2HE LYS 40 1HE LYS 40 -15.721 -7.154 -6.057 319 1HZ LYS 40 1HZ LYS 40 -15.480 -4.952 -7.010 320 2HZ LYS 40 2HZ LYS 40 -17.084 -5.192 -6.503 321 3HZ LYS 40 3HZ LYS 40 -16.688 -5.282 -8.153 322 H LYS 41 H LYS 41 -9.567 -7.102 -9.533 323 HA LYS 41 HA LYS 41 -8.720 -9.917 -9.229 324 1HB LYS 41 2HB LYS 41 -9.209 -8.569 -11.387 325 2HB LYS 41 1HB LYS 41 -7.630 -7.829 -11.120 326 1HG LYS 41 2HG LYS 41 -6.716 -10.220 -10.937 327 2HG LYS 41 1HG LYS 41 -8.262 -10.743 -11.608 328 1HD LYS 41 2HD LYS 41 -7.838 -9.051 -13.491 329 2HD LYS 41 1HD LYS 41 -6.180 -8.971 -12.894 330 1HE LYS 41 2HE LYS 41 -6.209 -11.566 -13.059 331 2HE LYS 41 1HE LYS 41 -7.626 -11.330 -14.103 332 1HZ LYS 41 1HZ LYS 41 -4.993 -9.991 -14.445 333 2HZ LYS 41 2HZ LYS 41 -6.354 -9.779 -15.441 334 3HZ LYS 41 3HZ LYS 41 -5.562 -11.281 -15.388 335 H LEU 42 H LEU 42 -7.551 -6.700 -8.473 336 HA LEU 42 HA LEU 42 -4.756 -7.442 -8.082 337 1HB LEU 42 2HB LEU 42 -6.519 -5.097 -7.913 338 2HB LEU 42 1HB LEU 42 -5.278 -5.105 -6.666 339 HG LEU 42 HG LEU 42 -3.526 -5.334 -8.343 340 1HD1 LEU 42 1HD1 LEU 42 -5.854 -5.516 -10.269 341 2HD1 LEU 42 2HD1 LEU 42 -4.557 -6.686 -10.034 342 3HD1 LEU 42 3HD1 LEU 42 -4.215 -5.131 -10.793 343 1HD2 LEU 42 1HD2 LEU 42 -5.297 -3.230 -9.520 344 2HD2 LEU 42 2HD2 LEU 42 -3.590 -3.141 -9.090 345 3HD2 LEU 42 3HD2 LEU 42 -4.822 -3.085 -7.832 346 H GLY 43 H GLY 43 -7.334 -6.452 -5.804 347 1HA GLY 43 2HA GLY 43 -5.997 -7.122 -3.404 348 2HA GLY 43 1HA GLY 43 -7.755 -7.116 -3.578 349 H GLU 44 H GLU 44 -7.564 -9.184 -5.756 350 HA GLU 44 HA GLU 44 -7.761 -11.553 -4.086 351 1HB GLU 44 2HB GLU 44 -8.979 -10.981 -6.272 352 2HB GLU 44 1HB GLU 44 -7.474 -11.380 -7.101 353 1HG GLU 44 2HG GLU 44 -7.546 -13.620 -5.882 354 2HG GLU 44 1HG GLU 44 -9.196 -13.207 -5.412 355 H MET 45 H MET 45 -5.366 -10.262 -6.389 356 HA MET 45 HA MET 45 -3.527 -12.517 -6.051 357 1HB MET 45 2HB MET 45 -3.635 -9.882 -7.484 358 2HB MET 45 1HB MET 45 -2.067 -10.664 -7.287 359 1HG MET 45 2HG MET 45 -2.983 -12.729 -8.308 360 2HG MET 45 1HG MET 45 -4.528 -11.912 -8.545 361 1HE MET 45 1HE MET 45 -4.193 -11.093 -12.016 362 2HE MET 45 2HE MET 45 -5.134 -11.523 -10.590 363 3HE MET 45 3HE MET 45 -4.045 -12.707 -11.308 364 H TRP 46 H TRP 46 -3.820 -9.175 -4.845 365 HA TRP 46 HA TRP 46 -1.323 -8.923 -3.501 366 1HB TRP 46 2HB TRP 46 -2.869 -7.075 -3.839 367 2HB TRP 46 1HB TRP 46 -4.114 -7.865 -2.880 368 HD1 TRP 46 HD TRP 46 -4.268 -6.799 -0.564 369 HE1 TRP 46 1HE TRP 46 -2.594 -5.801 1.127 370 HE3 TRP 46 3HE TRP 46 0.049 -7.370 -3.189 371 HZ2 TRP 46 2HZ TRP 46 0.227 -5.313 1.327 372 HZ3 TRP 46 3HZ TRP 46 2.218 -6.639 -2.241 373 HH2 TRP 46 HH TRP 46 2.311 -5.616 0.008 374 H SER 47 H SER 47 -4.465 -10.081 -2.193 375 HA SER 47 HA SER 47 -3.440 -10.896 0.362 376 1HB SER 47 2HB SER 47 -5.864 -10.511 -0.633 377 2HB SER 47 1HB SER 47 -5.763 -12.232 -0.996 378 HG SER 47 HG SER 47 -6.614 -11.984 1.056 379 H GLU 48 H GLU 48 -2.960 -12.263 -2.758 380 HA GLU 48 HA GLU 48 -2.506 -14.998 -1.693 381 1HB GLU 48 2HB GLU 48 -2.950 -13.687 -4.363 382 2HB GLU 48 1HB GLU 48 -2.186 -15.274 -4.293 383 1HG GLU 48 2HG GLU 48 -4.758 -14.719 -2.821 384 2HG GLU 48 1HG GLU 48 -4.762 -15.204 -4.518 385 H GLN 49 H GLN 49 -0.769 -12.123 -2.284 386 HA GLN 49 HA GLN 49 1.682 -13.336 -3.295 387 1HB GLN 49 2HB GLN 49 0.570 -10.720 -2.733 388 2HB GLN 49 1HB GLN 49 2.169 -10.840 -2.008 389 1HG GLN 49 2HG GLN 49 2.351 -10.011 -4.303 390 2HG GLN 49 1HG GLN 49 3.081 -11.612 -4.180 391 1HE2 GLN 49 1HE2 GLN 49 0.038 -9.978 -5.166 392 2HE2 GLN 49 2HE2 GLN 49 -0.413 -11.164 -6.292 393 H SER 50 H SER 50 3.511 -13.848 -2.062 394 HA SER 50 HA SER 50 3.025 -14.275 0.840 395 1HB SER 50 2HB SER 50 4.978 -15.811 0.580 396 2HB SER 50 1HB SER 50 3.698 -16.178 -0.573 397 HG SER 50 HG SER 50 6.104 -15.837 -1.220 398 H ALA 51 H ALA 51 6.371 -14.055 -0.073 399 HA ALA 51 HA ALA 51 6.539 -11.414 1.313 400 1HB ALA 51 1HB ALA 51 8.428 -13.746 0.901 401 2HB ALA 51 2HB ALA 51 7.751 -13.162 2.421 402 3HB ALA 51 3HB ALA 51 8.965 -12.206 1.571 403 H LYS 52 H LYS 52 7.281 -13.111 -1.678 404 HA LYS 52 HA LYS 52 9.229 -11.457 -2.857 405 1HB LYS 52 2HB LYS 52 8.043 -13.640 -3.622 406 2HB LYS 52 1HB LYS 52 6.856 -12.561 -4.357 407 1HG LYS 52 2HG LYS 52 9.139 -11.396 -5.236 408 2HG LYS 52 1HG LYS 52 9.681 -13.071 -5.124 409 1HD LYS 52 2HD LYS 52 8.175 -13.812 -6.729 410 2HD LYS 52 1HD LYS 52 7.039 -12.499 -6.417 411 1HE LYS 52 2HE LYS 52 9.203 -11.077 -7.285 412 2HE LYS 52 1HE LYS 52 9.372 -12.564 -8.240 413 1HZ LYS 52 1HZ LYS 52 6.916 -10.911 -7.976 414 2HZ LYS 52 2HZ LYS 52 7.000 -12.397 -8.793 415 3HZ LYS 52 3HZ LYS 52 7.878 -11.061 -9.364 416 H ASP 53 H ASP 53 5.661 -11.085 -3.161 417 HA ASP 53 HA ASP 53 6.144 -8.211 -3.886 418 1HB ASP 53 2HB ASP 53 4.408 -10.375 -4.972 419 2HB ASP 53 1HB ASP 53 3.744 -8.741 -4.956 420 H LYS 54 H LYS 54 6.000 -8.422 -1.319 421 HA LYS 54 HA LYS 54 3.507 -7.187 -0.518 422 1HB LYS 54 2HB LYS 54 3.441 -9.900 -0.697 423 2HB LYS 54 1HB LYS 54 3.952 -9.695 0.972 424 1HG LYS 54 2HG LYS 54 2.014 -7.996 1.162 425 2HG LYS 54 1HG LYS 54 1.444 -8.665 -0.361 426 1HD LYS 54 2HD LYS 54 0.294 -9.926 1.257 427 2HD LYS 54 1HD LYS 54 1.646 -10.961 0.805 428 1HE LYS 54 2HE LYS 54 1.758 -11.036 3.154 429 2HE LYS 54 1HE LYS 54 2.877 -9.707 2.789 430 1HZ LYS 54 1HZ LYS 54 1.058 -8.142 3.018 431 2HZ LYS 54 2HZ LYS 54 1.223 -9.047 4.447 432 3HZ LYS 54 3HZ LYS 54 -0.026 -9.402 3.351 433 H GLN 55 H GLN 55 6.571 -8.699 0.434 434 HA GLN 55 HA GLN 55 6.612 -7.594 3.122 435 1HB GLN 55 2HB GLN 55 8.380 -9.115 1.279 436 2HB GLN 55 1HB GLN 55 9.183 -8.222 2.570 437 1HG GLN 55 2HG GLN 55 6.869 -10.132 3.010 438 2HG GLN 55 1HG GLN 55 8.566 -10.568 3.217 439 1HE2 GLN 55 1HE2 GLN 55 5.883 -9.437 4.910 440 2HE2 GLN 55 2HE2 GLN 55 6.686 -8.732 6.229 441 HA PRO 56 HA PRO 56 9.637 -4.413 1.259 442 1HB PRO 56 2HB PRO 56 9.831 -4.169 -1.456 443 2HB PRO 56 1HB PRO 56 10.855 -5.260 -0.502 444 1HG PRO 56 2HG PRO 56 8.474 -5.871 -2.165 445 2HG PRO 56 1HG PRO 56 9.948 -6.816 -1.908 446 1HD PRO 56 2HD PRO 56 7.544 -7.326 -0.694 447 2HD PRO 56 1HD PRO 56 9.119 -7.829 -0.045 448 H TYR 57 H TYR 57 6.451 -4.970 0.086 449 HA TYR 57 HA TYR 57 6.040 -2.219 -0.901 450 1HB TYR 57 2HB TYR 57 4.352 -4.704 -0.566 451 2HB TYR 57 1HB TYR 57 3.651 -3.169 -1.085 452 HD1 TYR 57 1HD TYR 57 4.598 -6.130 -2.390 453 HD2 TYR 57 2HD TYR 57 5.558 -1.970 -2.854 454 HE1 TYR 57 1HE TYR 57 5.377 -6.566 -4.703 455 HE2 TYR 57 2HE TYR 57 6.338 -2.407 -5.166 456 HH TYR 57 HH TYR 57 7.185 -4.312 -6.488 457 H GLU 58 H GLU 58 5.211 -4.185 1.945 458 HA GLU 58 HA GLU 58 3.514 -2.163 3.164 459 1HB GLU 58 2HB GLU 58 3.752 -3.660 5.154 460 2HB GLU 58 1HB GLU 58 3.301 -4.533 3.693 461 1HG GLU 58 2HG GLU 58 5.221 -5.734 3.684 462 2HG GLU 58 1HG GLU 58 6.206 -4.315 4.031 463 H GLN 59 H GLN 59 6.964 -2.747 3.051 464 HA GLN 59 HA GLN 59 7.642 -1.146 5.395 465 1HB GLN 59 2HB GLN 59 9.115 -2.288 3.010 466 2HB GLN 59 1HB GLN 59 9.939 -1.308 4.224 467 1HG GLN 59 2HG GLN 59 8.306 -3.770 4.892 468 2HG GLN 59 1HG GLN 59 10.054 -3.794 4.651 469 1HE2 GLN 59 1HE2 GLN 59 7.479 -2.649 6.806 470 2HE2 GLN 59 2HE2 GLN 59 8.505 -2.218 8.088 471 H LYS 60 H LYS 60 8.403 -0.600 1.937 472 HA LYS 60 HA LYS 60 9.070 2.086 1.951 473 1HB LYS 60 2HB LYS 60 8.930 0.333 0.064 474 2HB LYS 60 1HB LYS 60 7.262 0.869 -0.141 475 1HG LYS 60 2HG LYS 60 8.299 3.265 -0.214 476 2HG LYS 60 1HG LYS 60 9.805 2.418 -0.567 477 1HD LYS 60 2HD LYS 60 8.241 1.140 -2.316 478 2HD LYS 60 1HD LYS 60 7.328 2.646 -2.218 479 1HE LYS 60 2HE LYS 60 8.836 3.211 -3.899 480 2HE LYS 60 1HE LYS 60 9.788 3.699 -2.483 481 1HZ LYS 60 1HZ LYS 60 10.793 1.524 -2.417 482 2HZ LYS 60 2HZ LYS 60 11.031 2.197 -3.958 483 3HZ LYS 60 3HZ LYS 60 9.849 0.999 -3.725 484 H ALA 61 H ALA 61 5.821 0.752 2.304 485 HA ALA 61 HA ALA 61 4.522 3.388 1.985 486 1HB ALA 61 1HB ALA 61 3.647 1.022 1.327 487 2HB ALA 61 2HB ALA 61 2.520 2.129 2.112 488 3HB ALA 61 3HB ALA 61 3.289 0.844 3.044 489 H ALA 62 H ALA 62 5.397 1.074 4.525 490 HA ALA 62 HA ALA 62 4.108 2.262 6.762 491 1HB ALA 62 1HB ALA 62 6.032 1.156 8.004 492 2HB ALA 62 2HB ALA 62 6.744 0.795 6.431 493 3HB ALA 62 3HB ALA 62 5.186 0.099 6.875 494 H LYS 63 H LYS 63 7.440 2.847 5.531 495 HA LYS 63 HA LYS 63 8.017 5.004 7.358 496 1HB LYS 63 2HB LYS 63 9.573 3.496 5.958 497 2HB LYS 63 1HB LYS 63 9.197 4.564 4.607 498 1HG LYS 63 2HG LYS 63 10.944 5.805 5.363 499 2HG LYS 63 1HG LYS 63 9.805 6.375 6.582 500 1HD LYS 63 2HD LYS 63 11.484 3.887 6.961 501 2HD LYS 63 1HD LYS 63 12.026 5.485 7.473 502 1HE LYS 63 2HE LYS 63 10.003 5.715 8.893 503 2HE LYS 63 1HE LYS 63 9.492 4.087 8.405 504 1HZ LYS 63 1HZ LYS 63 11.555 3.196 9.242 505 2HZ LYS 63 2HZ LYS 63 10.783 4.064 10.481 506 3HZ LYS 63 3HZ LYS 63 12.107 4.744 9.659 507 H LEU 64 H LEU 64 6.017 4.836 4.553 508 HA LEU 64 HA LEU 64 6.302 7.691 3.842 509 1HB LEU 64 2HB LEU 64 4.887 5.246 2.837 510 2HB LEU 64 1HB LEU 64 4.251 6.822 2.368 511 HG LEU 64 HG LEU 64 7.161 6.053 2.049 512 1HD1 LEU 64 1HD1 LEU 64 5.177 6.190 -0.210 513 2HD1 LEU 64 2HD1 LEU 64 5.368 4.696 0.708 514 3HD1 LEU 64 3HD1 LEU 64 6.743 5.381 -0.158 515 1HD2 LEU 64 1HD2 LEU 64 5.414 8.336 1.108 516 2HD2 LEU 64 2HD2 LEU 64 6.966 7.973 0.352 517 3HD2 LEU 64 3HD2 LEU 64 6.898 8.423 2.056 518 H LYS 65 H LYS 65 4.052 5.499 5.471 519 HA LYS 65 HA LYS 65 1.877 7.341 5.830 520 1HB LYS 65 2HB LYS 65 1.765 4.872 6.094 521 2HB LYS 65 1HB LYS 65 2.810 4.986 7.511 522 1HG LYS 65 2HG LYS 65 1.165 6.068 8.795 523 2HG LYS 65 1HG LYS 65 0.252 6.570 7.371 524 1HD LYS 65 2HD LYS 65 -1.004 4.771 8.271 525 2HD LYS 65 1HD LYS 65 -0.104 4.054 6.933 526 1HE LYS 65 2HE LYS 65 1.650 3.312 8.565 527 2HE LYS 65 1HE LYS 65 0.623 3.916 9.881 528 1HZ LYS 65 1HZ LYS 65 -0.164 1.910 7.833 529 2HZ LYS 65 2HZ LYS 65 -1.185 2.529 9.041 530 3HZ LYS 65 3HZ LYS 65 0.161 1.584 9.466 531 H GLU 66 H GLU 66 4.404 6.265 8.113 532 HA GLU 66 HA GLU 66 3.925 8.024 10.255 533 1HB GLU 66 2HB GLU 66 6.451 6.844 9.075 534 2HB GLU 66 1HB GLU 66 6.453 7.729 10.601 535 1HG GLU 66 2HG GLU 66 4.871 6.164 11.574 536 2HG GLU 66 1HG GLU 66 4.688 5.332 10.029 537 H LYS 67 H LYS 67 5.576 8.658 7.193 538 HA LYS 67 HA LYS 67 6.715 11.219 7.890 539 1HB LYS 67 2HB LYS 67 7.156 9.583 5.910 540 2HB LYS 67 1HB LYS 67 5.786 10.384 5.140 541 1HG LYS 67 2HG LYS 67 6.923 12.579 5.490 542 2HG LYS 67 1HG LYS 67 8.320 11.718 6.135 543 1HD LYS 67 2HD LYS 67 8.341 10.404 3.937 544 2HD LYS 67 1HD LYS 67 7.206 11.609 3.328 545 1HE LYS 67 2HE LYS 67 9.858 12.380 4.579 546 2HE LYS 67 1HE LYS 67 9.664 12.104 2.837 547 1HZ LYS 67 1HZ LYS 67 9.266 14.432 3.420 548 2HZ LYS 67 2HZ LYS 67 8.021 13.963 4.476 549 3HZ LYS 67 3HZ LYS 67 7.864 13.703 2.805 550 H TYR 68 H TYR 68 3.522 10.168 6.882 551 HA TYR 68 HA TYR 68 2.480 12.736 6.049 552 1HB TYR 68 2HB TYR 68 1.599 10.384 5.600 553 2HB TYR 68 1HB TYR 68 1.002 10.375 7.255 554 HD1 TYR 68 1HD TYR 68 1.076 12.996 4.560 555 HD2 TYR 68 2HD TYR 68 -1.306 10.675 7.279 556 HE1 TYR 68 1HE TYR 68 -0.954 14.215 3.823 557 HE2 TYR 68 2HE TYR 68 -3.335 11.896 6.544 558 HH TYR 68 HH TYR 68 -3.849 13.277 4.066 559 H GLU 69 H GLU 69 2.606 10.985 9.118 560 HA GLU 69 HA GLU 69 0.944 12.642 10.720 561 1HB GLU 69 2HB GLU 69 3.485 11.128 11.419 562 2HB GLU 69 1HB GLU 69 2.267 11.661 12.579 563 1HG GLU 69 2HG GLU 69 0.656 10.335 10.892 564 2HG GLU 69 1HG GLU 69 2.148 9.442 10.589 565 H LYS 70 H LYS 70 4.395 12.937 9.909 566 HA LYS 70 HA LYS 70 4.784 15.351 11.530 567 1HB LYS 70 2HB LYS 70 6.390 13.834 9.452 568 2HB LYS 70 1HB LYS 70 7.001 15.284 10.249 569 1HG LYS 70 2HG LYS 70 6.750 14.216 12.441 570 2HG LYS 70 1HG LYS 70 6.070 12.777 11.680 571 1HD LYS 70 2HD LYS 70 8.280 12.759 10.294 572 2HD LYS 70 1HD LYS 70 8.895 13.811 11.570 573 1HE LYS 70 2HE LYS 70 8.691 12.147 13.219 574 2HE LYS 70 1HE LYS 70 7.498 11.230 12.276 575 1HZ LYS 70 1HZ LYS 70 9.193 10.788 10.614 576 2HZ LYS 70 2HZ LYS 70 9.698 10.213 12.132 577 3HZ LYS 70 3HZ LYS 70 10.339 11.660 11.511 578 H ASP 71 H ASP 71 4.041 14.521 8.203 579 HA ASP 71 HA ASP 71 4.465 17.152 7.044 580 1HB ASP 71 2HB ASP 71 3.379 14.496 6.330 581 2HB ASP 71 1HB ASP 71 2.632 15.832 5.462 582 H ILE 72 H ILE 72 1.575 15.343 8.075 583 HA ILE 72 HA ILE 72 -0.278 17.531 7.677 584 HB ILE 72 HB ILE 72 -0.291 14.887 9.165 585 1HG1 ILE 72 2HG1 ILE 72 -0.262 14.824 6.698 586 2HG1 ILE 72 1HG1 ILE 72 -1.787 14.216 7.334 587 1HG2 ILE 72 1HG2 ILE 72 -2.500 16.945 8.949 588 2HG2 ILE 72 2HG2 ILE 72 -1.893 16.147 10.400 589 3HG2 ILE 72 3HG2 ILE 72 -2.836 15.236 9.221 590 1HD1 ILE 72 1HD1 ILE 72 -2.375 15.668 5.530 591 2HD1 ILE 72 2HD1 ILE 72 -1.252 16.913 6.072 592 3HD1 ILE 72 3HD1 ILE 72 -2.712 16.580 7.001 593 H ALA 73 H ALA 73 1.575 16.312 10.456 594 HA ALA 73 HA ALA 73 0.449 17.696 12.607 595 1HB ALA 73 1HB ALA 73 2.951 17.769 13.361 596 2HB ALA 73 2HB ALA 73 3.262 16.945 11.833 597 3HB ALA 73 3HB ALA 73 2.214 16.200 13.040 598 H ALA 74 H ALA 74 2.519 19.008 10.057 599 HA ALA 74 HA ALA 74 2.818 21.627 11.362 600 1HB ALA 74 1HB ALA 74 3.390 20.631 8.546 601 2HB ALA 74 2HB ALA 74 4.538 20.617 9.886 602 3HB ALA 74 3HB ALA 74 3.969 22.151 9.228 603 H TYR 75 H TYR 75 1.298 20.501 8.331 604 HA TYR 75 HA TYR 75 -0.189 22.857 7.752 605 1HB TYR 75 2HB TYR 75 0.286 20.926 6.237 606 2HB TYR 75 1HB TYR 75 -0.858 19.954 7.163 607 HD1 TYR 75 1HD TYR 75 -3.115 19.933 6.544 608 HD2 TYR 75 2HD TYR 75 -0.627 23.214 5.324 609 HE1 TYR 75 1HE TYR 75 -4.985 20.852 5.199 610 HE2 TYR 75 2HE TYR 75 -2.497 24.133 3.978 611 HH TYR 75 HH TYR 75 -5.258 22.351 3.215 612 H ARG 76 H ARG 76 -0.745 20.388 10.147 613 HA ARG 76 HA ARG 76 -3.604 20.656 10.435 614 1HB ARG 76 2HB ARG 76 -2.169 18.790 11.283 615 2HB ARG 76 1HB ARG 76 -1.484 19.898 12.472 616 1HG ARG 76 2HG ARG 76 -3.625 20.206 13.532 617 2HG ARG 76 1HG ARG 76 -4.451 19.336 12.238 618 1HD ARG 76 2HD ARG 76 -3.306 17.255 12.862 619 2HD ARG 76 1HD ARG 76 -2.401 18.114 14.123 620 HE ARG 76 HE ARG 76 -4.476 18.443 15.340 621 1HH1 ARG 76 1HH2 ARG 76 -4.492 15.498 14.307 622 2HH1 ARG 76 2HH2 ARG 76 -6.157 15.353 13.853 623 1HH2 ARG 76 1HH1 ARG 76 -6.753 18.768 13.939 624 2HH2 ARG 76 2HH1 ARG 76 -7.437 17.204 13.645 625 H ALA 77 H ALA 77 -1.006 21.893 12.577 626 HA ALA 77 HA ALA 77 -2.704 23.698 14.023 627 1HB ALA 77 1HB ALA 77 -0.374 24.694 14.586 628 2HB ALA 77 2HB ALA 77 0.261 23.389 13.585 629 3HB ALA 77 3HB ALA 77 -0.675 23.014 15.031 630 H LYS 78 H LYS 78 -0.147 24.476 11.695 631 HA LYS 78 HA LYS 78 -1.279 27.159 11.228 632 1HB LYS 78 2HB LYS 78 1.188 26.506 11.463 633 2HB LYS 78 1HB LYS 78 1.050 25.796 9.855 634 1HG LYS 78 2HG LYS 78 0.010 28.149 9.246 635 2HG LYS 78 1HG LYS 78 0.907 28.677 10.671 636 1HD LYS 78 2HD LYS 78 2.494 28.965 8.980 637 2HD LYS 78 1HD LYS 78 2.891 27.352 9.575 638 1HE LYS 78 2HE LYS 78 1.624 26.316 7.760 639 2HE LYS 78 1HE LYS 78 1.084 27.910 7.194 640 1HZ LYS 78 1HZ LYS 78 3.044 27.190 5.972 641 2HZ LYS 78 2HZ LYS 78 3.910 27.012 7.423 642 3HZ LYS 78 3HZ LYS 78 3.402 28.553 6.916 Start of MODEL 9 1 1H MET 1 1HT MET 1 -11.463 19.798 1.147 2 2H MET 1 2HT MET 1 -10.203 19.131 2.071 3 3H MET 1 3HT MET 1 -11.806 18.630 2.328 4 HA MET 1 HA MET 1 -10.393 17.030 1.020 5 1HB MET 1 2HB MET 1 -12.306 16.647 -0.539 6 2HB MET 1 1HB MET 1 -12.843 16.993 1.102 7 1HG MET 1 2HG MET 1 -12.512 19.332 -0.717 8 2HG MET 1 1HG MET 1 -13.868 18.255 -1.047 9 1HE MET 1 1HE MET 1 -15.058 21.536 0.933 10 2HE MET 1 2HE MET 1 -15.069 20.721 -0.630 11 3HE MET 1 3HE MET 1 -13.569 21.410 -0.013 12 H LYS 2 H LYS 2 -8.889 19.369 0.489 13 HA LYS 2 HA LYS 2 -8.499 19.092 -2.442 14 1HB LYS 2 2HB LYS 2 -8.525 21.584 -2.670 15 2HB LYS 2 1HB LYS 2 -10.087 20.933 -2.183 16 1HG LYS 2 2HG LYS 2 -10.061 22.121 -0.267 17 2HG LYS 2 1HG LYS 2 -8.469 21.497 0.159 18 1HD LYS 2 2HD LYS 2 -7.365 23.220 -1.099 19 2HD LYS 2 1HD LYS 2 -8.881 23.735 -1.839 20 1HE LYS 2 2HE LYS 2 -8.625 25.327 -0.127 21 2HE LYS 2 1HE LYS 2 -9.622 24.103 0.684 22 1HZ LYS 2 1HZ LYS 2 -7.695 24.614 2.032 23 2HZ LYS 2 2HZ LYS 2 -6.654 24.260 0.736 24 3HZ LYS 2 3HZ LYS 2 -7.579 23.026 1.449 25 H LYS 3 H LYS 3 -6.514 18.033 -1.684 26 HA LYS 3 HA LYS 3 -4.565 19.472 -0.057 27 1HB LYS 3 2HB LYS 3 -4.762 16.918 -1.609 28 2HB LYS 3 1HB LYS 3 -3.154 17.491 -1.160 29 1HG LYS 3 2HG LYS 3 -3.821 16.121 0.657 30 2HG LYS 3 1HG LYS 3 -4.112 17.768 1.217 31 1HD LYS 3 2HD LYS 3 -6.473 17.593 0.689 32 2HD LYS 3 1HD LYS 3 -6.228 16.015 -0.060 33 1HE LYS 3 2HE LYS 3 -5.902 14.939 1.994 34 2HE LYS 3 1HE LYS 3 -5.412 16.437 2.810 35 1HZ LYS 3 1HZ LYS 3 -7.683 15.877 3.398 36 2HZ LYS 3 2HZ LYS 3 -8.125 15.827 1.758 37 3HZ LYS 3 3HZ LYS 3 -7.659 17.297 2.471 38 H ASP 4 H ASP 4 -2.535 20.322 -0.837 39 HA ASP 4 HA ASP 4 -2.673 21.356 -3.634 40 1HB ASP 4 2HB ASP 4 -1.560 22.206 -1.008 41 2HB ASP 4 1HB ASP 4 -0.641 22.686 -2.435 42 HA PRO 5 HA PRO 5 0.809 18.982 -4.919 43 1HB PRO 5 2HB PRO 5 2.394 20.760 -6.268 44 2HB PRO 5 1HB PRO 5 0.853 20.157 -6.912 45 1HG PRO 5 2HG PRO 5 1.467 22.752 -5.592 46 2HG PRO 5 1HG PRO 5 0.400 22.406 -6.961 47 1HD PRO 5 2HD PRO 5 -0.497 22.832 -4.421 48 2HD PRO 5 1HD PRO 5 -1.359 21.837 -5.615 49 H ASN 6 H ASN 6 1.574 21.998 -3.245 50 HA ASN 6 HA ASN 6 4.327 21.274 -2.598 51 1HB ASN 6 2HB ASN 6 2.350 23.361 -1.636 52 2HB ASN 6 1HB ASN 6 4.011 23.279 -1.046 53 1HD2 ASN 6 1HD2 ASN 6 2.100 24.725 -3.410 54 2HD2 ASN 6 2HD2 ASN 6 3.314 25.103 -4.532 55 H ALA 7 H ALA 7 1.170 20.935 -1.056 56 HA ALA 7 HA ALA 7 2.297 20.021 1.511 57 1HB ALA 7 1HB ALA 7 0.221 21.383 1.281 58 2HB ALA 7 2HB ALA 7 -0.082 19.850 2.097 59 3HB ALA 7 3HB ALA 7 -0.530 20.049 0.404 60 HA PRO 8 HA PRO 8 2.202 15.784 0.374 61 1HB PRO 8 2HB PRO 8 2.142 14.622 2.834 62 2HB PRO 8 1HB PRO 8 3.584 15.333 2.090 63 1HG PRO 8 2HG PRO 8 2.003 16.304 4.312 64 2HG PRO 8 1HG PRO 8 3.600 16.760 3.734 65 1HD PRO 8 2HD PRO 8 1.138 18.176 3.352 66 2HD PRO 8 1HD PRO 8 2.782 18.651 2.878 67 H LYS 9 H LYS 9 0.640 14.229 -0.136 68 HA LYS 9 HA LYS 9 -2.100 14.673 0.961 69 1HB LYS 9 2HB LYS 9 -1.006 13.182 -1.446 70 2HB LYS 9 1HB LYS 9 -2.721 13.321 -1.058 71 1HG LYS 9 2HG LYS 9 -2.802 15.573 -1.585 72 2HG LYS 9 1HG LYS 9 -1.100 15.832 -1.197 73 1HD LYS 9 2HD LYS 9 -0.561 14.377 -3.230 74 2HD LYS 9 1HD LYS 9 -2.264 14.535 -3.667 75 1HE LYS 9 2HE LYS 9 -2.066 16.787 -4.177 76 2HE LYS 9 1HE LYS 9 -0.747 17.038 -3.017 77 1HZ LYS 9 1HZ LYS 9 -0.536 15.411 -5.496 78 2HZ LYS 9 2HZ LYS 9 0.720 15.755 -4.404 79 3HZ LYS 9 3HZ LYS 9 0.040 17.000 -5.338 80 H ARG 10 H ARG 10 -3.367 12.398 0.886 81 HA ARG 10 HA ARG 10 -2.564 10.824 3.059 82 1HB ARG 10 2HB ARG 10 -4.210 9.195 2.151 83 2HB ARG 10 1HB ARG 10 -4.806 10.851 2.063 84 1HG ARG 10 2HG ARG 10 -3.773 10.840 -0.337 85 2HG ARG 10 1HG ARG 10 -3.813 9.085 -0.164 86 1HD ARG 10 2HD ARG 10 -6.218 9.119 0.223 87 2HD ARG 10 1HD ARG 10 -6.224 10.894 0.231 88 HE ARG 10 HE ARG 10 -5.016 10.224 -2.187 89 1HH1 ARG 10 1HH2 ARG 10 -6.698 7.788 -2.232 90 2HH1 ARG 10 2HH2 ARG 10 -8.164 8.348 -2.964 91 1HH2 ARG 10 1HH1 ARG 10 -7.466 11.700 -2.423 92 2HH2 ARG 10 2HH1 ARG 10 -8.599 10.564 -3.072 93 HA PRO 11 HA PRO 11 0.829 8.583 1.174 94 1HB PRO 11 2HB PRO 11 1.421 6.956 3.288 95 2HB PRO 11 1HB PRO 11 1.896 8.664 3.223 96 1HG PRO 11 2HG PRO 11 -0.336 7.375 4.695 97 2HG PRO 11 1HG PRO 11 0.694 8.734 5.165 98 1HD PRO 11 2HD PRO 11 -1.871 8.986 4.217 99 2HD PRO 11 1HD PRO 11 -0.636 10.261 4.126 100 HA PRO 12 HA PRO 12 -0.863 4.731 -0.158 101 1HB PRO 12 2HB PRO 12 1.241 2.972 -0.050 102 2HB PRO 12 1HB PRO 12 1.102 4.244 -1.279 103 1HG PRO 12 2HG PRO 12 2.707 4.203 1.232 104 2HG PRO 12 1HG PRO 12 3.144 4.802 -0.376 105 1HD PRO 12 2HD PRO 12 2.400 6.443 1.640 106 2HD PRO 12 1HD PRO 12 2.067 6.808 -0.069 107 H SER 13 H SER 13 -0.342 2.073 0.659 108 HA SER 13 HA SER 13 -0.301 1.785 3.546 109 1HB SER 13 2HB SER 13 -2.448 2.925 3.310 110 2HB SER 13 1HB SER 13 -2.958 1.766 2.085 111 HG SER 13 HG SER 13 -2.790 1.519 4.844 112 H ALA 14 H ALA 14 1.075 0.338 1.551 113 HA ALA 14 HA ALA 14 1.615 -1.891 1.083 114 1HB ALA 14 1HB ALA 14 0.136 -2.041 3.417 115 2HB ALA 14 2HB ALA 14 0.935 -3.408 2.641 116 3HB ALA 14 3HB ALA 14 -0.772 -3.091 2.328 117 H PHE 15 H PHE 15 -1.983 -2.011 1.163 118 HA PHE 15 HA PHE 15 -2.234 -3.401 -1.305 119 1HB PHE 15 2HB PHE 15 -3.990 -3.154 0.428 120 2HB PHE 15 1HB PHE 15 -4.123 -1.438 0.043 121 HD1 PHE 15 1HD PHE 15 -3.891 -4.584 -2.005 122 HD2 PHE 15 2HD PHE 15 -6.051 -0.965 -1.175 123 HE1 PHE 15 1HE PHE 15 -5.472 -5.107 -3.842 124 HE2 PHE 15 2HE PHE 15 -7.634 -1.489 -3.011 125 HZ PHE 15 HZ PHE 15 -7.345 -3.560 -4.347 126 H PHE 16 H PHE 16 -1.699 0.005 -0.649 127 HA PHE 16 HA PHE 16 -2.556 0.974 -3.249 128 1HB PHE 16 2HB PHE 16 -2.211 2.167 -0.933 129 2HB PHE 16 1HB PHE 16 -0.537 2.324 -1.464 130 HD1 PHE 16 1HD PHE 16 -3.952 3.502 -1.892 131 HD2 PHE 16 2HD PHE 16 -0.013 3.523 -3.606 132 HE1 PHE 16 1HE PHE 16 -4.581 5.435 -3.312 133 HE2 PHE 16 2HE PHE 16 -0.642 5.456 -5.027 134 HZ PHE 16 HZ PHE 16 -2.926 6.412 -4.880 135 H LEU 17 H LEU 17 0.501 -0.196 -1.900 136 HA LEU 17 HA LEU 17 2.214 0.644 -4.071 137 1HB LEU 17 2HB LEU 17 2.248 -1.461 -1.910 138 2HB LEU 17 1HB LEU 17 3.502 -1.474 -3.145 139 HG LEU 17 HG LEU 17 4.227 -0.203 -1.158 140 1HD1 LEU 17 1HD1 LEU 17 5.106 1.654 -2.316 141 2HD1 LEU 17 2HD1 LEU 17 3.684 1.794 -3.350 142 3HD1 LEU 17 3HD1 LEU 17 4.816 0.462 -3.582 143 1HD2 LEU 17 1HD2 LEU 17 1.928 0.531 -0.481 144 2HD2 LEU 17 2HD2 LEU 17 1.939 1.675 -1.822 145 3HD2 LEU 17 3HD2 LEU 17 3.096 1.852 -0.504 146 H PHE 18 H PHE 18 1.370 -2.708 -3.359 147 HA PHE 18 HA PHE 18 1.678 -4.055 -5.701 148 1HB PHE 18 2HB PHE 18 0.802 -5.033 -3.651 149 2HB PHE 18 1HB PHE 18 -0.708 -4.142 -3.827 150 HD1 PHE 18 1HD PHE 18 1.398 -6.815 -5.346 151 HD2 PHE 18 2HD PHE 18 -2.469 -4.951 -5.206 152 HE1 PHE 18 1HE PHE 18 0.452 -8.675 -6.689 153 HE2 PHE 18 2HE PHE 18 -3.413 -6.808 -6.546 154 HZ PHE 18 HZ PHE 18 -1.958 -8.673 -7.287 155 H CYS 19 H CYS 19 -1.464 -2.351 -5.036 156 HA CYS 19 HA CYS 19 -2.513 -2.719 -7.664 157 1HB CYS 19 2HB CYS 19 -3.785 -2.097 -5.618 158 2HB CYS 19 1HB CYS 19 -3.009 -0.515 -5.634 159 HG CYS 19 HG CYS 19 -4.366 -1.008 -8.287 160 H SER 20 H SER 20 -0.728 0.022 -6.239 161 HA SER 20 HA SER 20 -0.818 1.808 -8.433 162 1HB SER 20 2HB SER 20 -0.004 2.443 -6.243 163 2HB SER 20 1HB SER 20 1.303 1.267 -6.336 164 HG SER 20 HG SER 20 2.303 3.022 -7.032 165 H GLU 21 H GLU 21 1.278 -1.012 -7.910 166 HA GLU 21 HA GLU 21 2.897 -0.344 -10.293 167 1HB GLU 21 2HB GLU 21 4.189 -2.329 -9.571 168 2HB GLU 21 1HB GLU 21 3.943 -1.201 -8.240 169 1HG GLU 21 2HG GLU 21 2.319 -2.568 -7.219 170 2HG GLU 21 1HG GLU 21 2.029 -3.483 -8.696 171 H HIS 22 H HIS 22 0.210 -2.486 -9.435 172 HA HIS 22 HA HIS 22 0.515 -3.957 -12.010 173 1HB HIS 22 2HB HIS 22 -1.112 -4.324 -9.482 174 2HB HIS 22 1HB HIS 22 -1.332 -5.338 -10.906 175 HD1 HIS 22 1HD HIS 22 1.124 -6.377 -11.810 176 HD2 HIS 22 2HD HIS 22 0.775 -5.370 -7.780 177 HE1 HIS 22 1HE HIS 22 2.957 -7.634 -10.597 178 H ARG 23 H ARG 23 -0.648 -1.066 -11.487 179 HA ARG 23 HA ARG 23 -3.448 -1.403 -12.323 180 1HB ARG 23 2HB ARG 23 -2.675 0.304 -10.684 181 2HB ARG 23 1HB ARG 23 -1.754 1.086 -11.963 182 1HG ARG 23 2HG ARG 23 -3.898 1.303 -13.271 183 2HG ARG 23 1HG ARG 23 -4.755 0.721 -11.843 184 1HD ARG 23 2HD ARG 23 -2.886 3.102 -11.729 185 2HD ARG 23 1HD ARG 23 -4.619 3.268 -12.071 186 HE ARG 23 HE ARG 23 -3.879 1.664 -9.694 187 1HH1 ARG 23 1HH2 ARG 23 -3.783 4.913 -10.290 188 2HH1 ARG 23 2HH2 ARG 23 -5.032 5.360 -9.177 189 1HH2 ARG 23 1HH1 ARG 23 -6.038 2.095 -8.584 190 2HH2 ARG 23 2HH1 ARG 23 -6.309 3.764 -8.211 191 HA PRO 24 HA PRO 24 -1.746 0.544 -16.320 192 1HB PRO 24 2HB PRO 24 0.944 0.530 -16.793 193 2HB PRO 24 1HB PRO 24 0.115 1.867 -15.973 194 1HG PRO 24 2HG PRO 24 1.788 -0.298 -14.845 195 2HG PRO 24 1HG PRO 24 1.590 1.378 -14.311 196 1HD PRO 24 2HD PRO 24 0.404 -0.832 -13.142 197 2HD PRO 24 1HD PRO 24 -0.129 0.848 -12.943 198 H LYS 25 H LYS 25 -0.643 -2.388 -14.914 199 HA LYS 25 HA LYS 25 0.199 -3.677 -17.416 200 1HB LYS 25 2HB LYS 25 1.105 -4.154 -15.113 201 2HB LYS 25 1HB LYS 25 -0.467 -4.832 -14.689 202 1HG LYS 25 2HG LYS 25 -0.255 -6.503 -16.470 203 2HG LYS 25 1HG LYS 25 1.288 -5.805 -16.963 204 1HD LYS 25 2HD LYS 25 1.879 -6.202 -14.395 205 2HD LYS 25 1HD LYS 25 0.633 -7.441 -14.548 206 1HE LYS 25 2HE LYS 25 2.506 -8.664 -15.208 207 2HE LYS 25 1HE LYS 25 2.005 -8.012 -16.781 208 1HZ LYS 25 1HZ LYS 25 4.361 -7.559 -16.294 209 2HZ LYS 25 2HZ LYS 25 3.898 -6.680 -14.917 210 3HZ LYS 25 3HZ LYS 25 3.456 -6.134 -16.464 211 H ILE 26 H ILE 26 -2.662 -3.562 -15.330 212 HA ILE 26 HA ILE 26 -4.132 -5.649 -16.720 213 HB ILE 26 HB ILE 26 -5.019 -3.362 -14.923 214 1HG1 ILE 26 2HG1 ILE 26 -3.340 -4.822 -13.860 215 2HG1 ILE 26 1HG1 ILE 26 -4.922 -5.058 -13.124 216 1HG2 ILE 26 1HG2 ILE 26 -7.024 -4.124 -15.814 217 2HG2 ILE 26 2HG2 ILE 26 -6.846 -5.214 -14.439 218 3HG2 ILE 26 3HG2 ILE 26 -6.414 -5.761 -16.059 219 1HD1 ILE 26 1HD1 ILE 26 -3.563 -6.851 -15.156 220 2HD1 ILE 26 2HD1 ILE 26 -5.250 -7.032 -14.675 221 3HD1 ILE 26 3HD1 ILE 26 -3.967 -7.245 -13.485 222 H LYS 27 H LYS 27 -3.446 -2.339 -17.463 223 HA LYS 27 HA LYS 27 -5.879 -1.819 -19.005 224 1HB LYS 27 2HB LYS 27 -3.232 -0.483 -18.488 225 2HB LYS 27 1HB LYS 27 -4.307 0.140 -19.741 226 1HG LYS 27 2HG LYS 27 -6.146 0.234 -18.039 227 2HG LYS 27 1HG LYS 27 -4.970 -0.226 -16.807 228 1HD LYS 27 2HD LYS 27 -3.681 1.775 -17.179 229 2HD LYS 27 1HD LYS 27 -4.635 2.190 -18.604 230 1HE LYS 27 2HE LYS 27 -6.523 2.789 -17.324 231 2HE LYS 27 1HE LYS 27 -5.961 1.879 -15.907 232 1HZ LYS 27 1HZ LYS 27 -5.536 4.261 -15.657 233 2HZ LYS 27 2HZ LYS 27 -4.604 4.252 -17.077 234 3HZ LYS 27 3HZ LYS 27 -4.087 3.381 -15.712 235 H SER 28 H SER 28 -2.871 -3.439 -19.620 236 HA SER 28 HA SER 28 -2.769 -2.954 -22.492 237 1HB SER 28 2HB SER 28 -0.834 -3.532 -21.011 238 2HB SER 28 1HB SER 28 -1.530 -5.133 -20.779 239 HG SER 28 HG SER 28 -0.111 -5.304 -22.459 240 H GLU 29 H GLU 29 -3.833 -5.686 -20.442 241 HA GLU 29 HA GLU 29 -4.896 -7.114 -22.812 242 1HB GLU 29 2HB GLU 29 -4.571 -7.717 -19.865 243 2HB GLU 29 1HB GLU 29 -5.377 -8.830 -20.973 244 1HG GLU 29 2HG GLU 29 -3.246 -8.581 -22.435 245 2HG GLU 29 1HG GLU 29 -2.498 -7.936 -20.974 246 H HIS 30 H HIS 30 -6.096 -4.635 -21.002 247 HA HIS 30 HA HIS 30 -8.898 -5.465 -21.514 248 1HB HIS 30 2HB HIS 30 -7.875 -4.563 -18.799 249 2HB HIS 30 1HB HIS 30 -9.551 -4.923 -19.197 250 HD1 HIS 30 1HD HIS 30 -10.242 -7.392 -19.366 251 HD2 HIS 30 2HD HIS 30 -6.174 -6.870 -18.646 252 HE1 HIS 30 1HE HIS 30 -9.328 -9.673 -18.751 253 HA PRO 31 HA PRO 31 -7.926 -1.037 -22.487 254 1HB PRO 31 2HB PRO 31 -9.463 -0.962 -24.761 255 2HB PRO 31 1HB PRO 31 -7.767 -1.492 -24.752 256 1HG PRO 31 2HG PRO 31 -10.261 -3.138 -24.717 257 2HG PRO 31 1HG PRO 31 -8.774 -3.369 -25.654 258 1HD PRO 31 2HD PRO 31 -9.274 -4.795 -23.426 259 2HD PRO 31 1HD PRO 31 -7.628 -4.285 -23.867 260 H GLY 32 H GLY 32 -9.149 0.116 -21.027 261 1HA GLY 32 2HA GLY 32 -11.214 1.455 -20.778 262 2HA GLY 32 1HA GLY 32 -12.118 0.060 -21.365 263 H LEU 33 H LEU 33 -10.187 -1.635 -19.594 264 HA LEU 33 HA LEU 33 -11.854 -2.240 -17.453 265 1HB LEU 33 2HB LEU 33 -9.483 -3.100 -18.401 266 2HB LEU 33 1HB LEU 33 -8.916 -2.255 -16.965 267 HG LEU 33 HG LEU 33 -9.372 -4.631 -16.474 268 1HD1 LEU 33 1HD1 LEU 33 -10.408 -4.240 -14.439 269 2HD1 LEU 33 2HD1 LEU 33 -11.602 -3.146 -15.135 270 3HD1 LEU 33 3HD1 LEU 33 -9.943 -2.600 -14.887 271 1HD2 LEU 33 1HD2 LEU 33 -12.308 -4.133 -16.874 272 2HD2 LEU 33 2HD2 LEU 33 -11.433 -5.665 -16.844 273 3HD2 LEU 33 3HD2 LEU 33 -11.317 -4.609 -18.253 274 H SER 34 H SER 34 -12.718 -0.782 -16.077 275 HA SER 34 HA SER 34 -11.351 1.617 -15.158 276 1HB SER 34 2HB SER 34 -13.445 1.507 -13.574 277 2HB SER 34 1HB SER 34 -13.693 1.755 -15.297 278 HG SER 34 HG SER 34 -15.008 0.078 -14.337 279 H ILE 35 H ILE 35 -11.843 1.727 -12.445 280 HA ILE 35 HA ILE 35 -9.772 -0.083 -11.371 281 HB ILE 35 HB ILE 35 -11.389 2.172 -10.137 282 1HG1 ILE 35 2HG1 ILE 35 -10.037 2.923 -12.061 283 2HG1 ILE 35 1HG1 ILE 35 -9.367 3.539 -10.552 284 1HG2 ILE 35 1HG2 ILE 35 -10.510 0.994 -8.313 285 2HG2 ILE 35 2HG2 ILE 35 -9.253 2.190 -8.630 286 3HG2 ILE 35 3HG2 ILE 35 -9.052 0.530 -9.191 287 1HD1 ILE 35 1HD1 ILE 35 -8.366 1.134 -12.109 288 2HD1 ILE 35 2HD1 ILE 35 -7.736 1.648 -10.545 289 3HD1 ILE 35 3HD1 ILE 35 -7.554 2.691 -11.955 290 H GLY 36 H GLY 36 -12.870 -0.746 -11.974 291 1HA GLY 36 2HA GLY 36 -13.681 -1.689 -9.298 292 2HA GLY 36 1HA GLY 36 -14.644 -1.803 -10.771 293 H ASP 37 H ASP 37 -13.438 -3.248 -12.520 294 HA ASP 37 HA ASP 37 -13.332 -5.929 -11.496 295 1HB ASP 37 2HB ASP 37 -12.508 -4.582 -14.078 296 2HB ASP 37 1HB ASP 37 -12.383 -6.327 -13.856 297 H THR 38 H THR 38 -10.747 -3.694 -12.567 298 HA THR 38 HA THR 38 -8.530 -5.434 -12.134 299 HB THR 38 HB THR 38 -8.949 -2.431 -12.138 300 HG1 THR 38 1HG THR 38 -7.894 -2.669 -14.126 301 1HG2 THR 38 1HG2 THR 38 -6.265 -3.849 -12.057 302 2HG2 THR 38 2HG2 THR 38 -6.962 -2.966 -10.698 303 3HG2 THR 38 3HG2 THR 38 -6.530 -2.109 -12.178 304 H ALA 39 H ALA 39 -10.356 -3.369 -9.911 305 HA ALA 39 HA ALA 39 -8.554 -3.620 -7.650 306 1HB ALA 39 1HB ALA 39 -10.109 -1.807 -7.716 307 2HB ALA 39 2HB ALA 39 -10.706 -2.876 -6.447 308 3HB ALA 39 3HB ALA 39 -11.466 -2.887 -8.038 309 H LYS 40 H LYS 40 -11.174 -5.572 -8.953 310 HA LYS 40 HA LYS 40 -11.468 -7.254 -6.571 311 1HB LYS 40 2HB LYS 40 -12.440 -7.278 -9.434 312 2HB LYS 40 1HB LYS 40 -12.787 -8.619 -8.342 313 1HG LYS 40 2HG LYS 40 -13.739 -6.938 -6.716 314 2HG LYS 40 1HG LYS 40 -13.568 -5.716 -7.976 315 1HD LYS 40 2HD LYS 40 -15.103 -6.856 -9.418 316 2HD LYS 40 1HD LYS 40 -15.088 -8.297 -8.401 317 1HE LYS 40 2HE LYS 40 -16.067 -6.880 -6.534 318 2HE LYS 40 1HE LYS 40 -16.291 -5.592 -7.735 319 1HZ LYS 40 1HZ LYS 40 -17.307 -8.374 -7.989 320 2HZ LYS 40 2HZ LYS 40 -17.523 -7.128 -9.123 321 3HZ LYS 40 3HZ LYS 40 -18.252 -7.024 -7.591 322 H LYS 41 H LYS 41 -9.617 -7.305 -9.566 323 HA LYS 41 HA LYS 41 -8.716 -10.090 -9.195 324 1HB LYS 41 2HB LYS 41 -8.384 -7.860 -11.173 325 2HB LYS 41 1HB LYS 41 -7.229 -9.192 -11.203 326 1HG LYS 41 2HG LYS 41 -8.998 -10.810 -11.512 327 2HG LYS 41 1HG LYS 41 -10.233 -9.574 -11.269 328 1HD LYS 41 2HD LYS 41 -10.134 -9.757 -13.611 329 2HD LYS 41 1HD LYS 41 -9.096 -8.370 -13.279 330 1HE LYS 41 2HE LYS 41 -7.137 -10.030 -13.214 331 2HE LYS 41 1HE LYS 41 -8.256 -11.204 -13.936 332 1HZ LYS 41 1HZ LYS 41 -7.691 -8.488 -15.004 333 2HZ LYS 41 2HZ LYS 41 -8.748 -9.628 -15.689 334 3HZ LYS 41 3HZ LYS 41 -7.077 -9.934 -15.643 335 H LEU 42 H LEU 42 -7.607 -6.859 -8.422 336 HA LEU 42 HA LEU 42 -4.805 -7.604 -7.999 337 1HB LEU 42 2HB LEU 42 -6.563 -5.235 -7.887 338 2HB LEU 42 1HB LEU 42 -5.249 -5.212 -6.717 339 HG LEU 42 HG LEU 42 -3.645 -5.702 -8.562 340 1HD1 LEU 42 1HD1 LEU 42 -5.600 -6.686 -10.000 341 2HD1 LEU 42 2HD1 LEU 42 -4.308 -5.800 -10.810 342 3HD1 LEU 42 3HD1 LEU 42 -5.851 -5.010 -10.489 343 1HD2 LEU 42 1HD2 LEU 42 -4.398 -3.366 -7.761 344 2HD2 LEU 42 2HD2 LEU 42 -5.305 -3.288 -9.271 345 3HD2 LEU 42 3HD2 LEU 42 -3.550 -3.463 -9.304 346 H GLY 43 H GLY 43 -7.313 -6.351 -5.756 347 1HA GLY 43 2HA GLY 43 -6.015 -6.959 -3.341 348 2HA GLY 43 1HA GLY 43 -7.773 -6.904 -3.512 349 H GLU 44 H GLU 44 -7.697 -9.106 -5.539 350 HA GLU 44 HA GLU 44 -7.903 -11.361 -3.703 351 1HB GLU 44 2HB GLU 44 -9.267 -10.944 -5.799 352 2HB GLU 44 1HB GLU 44 -7.820 -11.298 -6.742 353 1HG GLU 44 2HG GLU 44 -7.716 -13.513 -5.433 354 2HG GLU 44 1HG GLU 44 -9.372 -13.158 -4.938 355 H MET 45 H MET 45 -5.584 -10.216 -6.137 356 HA MET 45 HA MET 45 -3.800 -12.517 -5.852 357 1HB MET 45 2HB MET 45 -3.770 -9.827 -7.223 358 2HB MET 45 1HB MET 45 -2.319 -10.829 -7.187 359 1HG MET 45 2HG MET 45 -3.435 -12.629 -8.325 360 2HG MET 45 1HG MET 45 -5.004 -11.845 -8.148 361 1HE MET 45 1HE MET 45 -1.625 -10.974 -11.068 362 2HE MET 45 2HE MET 45 -1.802 -12.285 -9.905 363 3HE MET 45 3HE MET 45 -1.347 -10.677 -9.347 364 H TRP 46 H TRP 46 -3.883 -9.130 -4.719 365 HA TRP 46 HA TRP 46 -1.382 -8.928 -3.418 366 1HB TRP 46 2HB TRP 46 -2.939 -7.079 -3.719 367 2HB TRP 46 1HB TRP 46 -4.137 -7.855 -2.692 368 HD1 TRP 46 HD TRP 46 -4.190 -6.736 -0.404 369 HE1 TRP 46 1HE TRP 46 -2.447 -5.717 1.200 370 HE3 TRP 46 3HE TRP 46 0.024 -7.403 -3.172 371 HZ2 TRP 46 2HZ TRP 46 0.380 -5.249 1.286 372 HZ3 TRP 46 3HZ TRP 46 2.231 -6.669 -2.321 373 HH2 TRP 46 HH TRP 46 2.412 -5.597 -0.098 374 H SER 47 H SER 47 -4.481 -10.131 -2.070 375 HA SER 47 HA SER 47 -3.448 -10.880 0.499 376 1HB SER 47 2HB SER 47 -5.875 -11.179 -1.124 377 2HB SER 47 1HB SER 47 -5.596 -12.554 -0.062 378 HG SER 47 HG SER 47 -6.530 -11.216 1.306 379 H GLU 48 H GLU 48 -2.857 -12.255 -2.590 380 HA GLU 48 HA GLU 48 -2.263 -14.937 -1.466 381 1HB GLU 48 2HB GLU 48 -2.883 -13.755 -4.164 382 2HB GLU 48 1HB GLU 48 -2.059 -15.309 -4.056 383 1HG GLU 48 2HG GLU 48 -3.939 -16.004 -2.440 384 2HG GLU 48 1HG GLU 48 -4.799 -14.578 -3.023 385 H GLN 49 H GLN 49 -0.731 -11.978 -2.444 386 HA GLN 49 HA GLN 49 1.702 -12.969 -3.554 387 1HB GLN 49 2HB GLN 49 1.073 -10.524 -1.858 388 2HB GLN 49 1HB GLN 49 2.563 -10.738 -2.772 389 1HG GLN 49 2HG GLN 49 -0.230 -10.647 -3.941 390 2HG GLN 49 1HG GLN 49 0.962 -9.358 -4.029 391 1HE2 GLN 49 1HE2 GLN 49 -0.274 -10.960 -6.272 392 2HE2 GLN 49 2HE2 GLN 49 1.037 -11.641 -7.105 393 H SER 50 H SER 50 3.618 -13.602 -2.551 394 HA SER 50 HA SER 50 3.421 -14.442 0.285 395 1HB SER 50 2HB SER 50 5.375 -15.782 -0.306 396 2HB SER 50 1HB SER 50 4.191 -15.937 -1.602 397 HG SER 50 HG SER 50 6.614 -15.291 -1.948 398 H ALA 51 H ALA 51 6.424 -14.242 0.529 399 HA ALA 51 HA ALA 51 6.528 -11.496 1.537 400 1HB ALA 51 1HB ALA 51 8.827 -12.271 2.225 401 2HB ALA 51 2HB ALA 51 8.517 -13.785 1.375 402 3HB ALA 51 3HB ALA 51 7.532 -13.337 2.768 403 H LYS 52 H LYS 52 7.098 -12.868 -1.535 404 HA LYS 52 HA LYS 52 9.393 -11.224 -2.301 405 1HB LYS 52 2HB LYS 52 8.333 -13.526 -3.189 406 2HB LYS 52 1HB LYS 52 7.494 -12.418 -4.276 407 1HG LYS 52 2HG LYS 52 9.498 -12.988 -5.420 408 2HG LYS 52 1HG LYS 52 9.802 -11.388 -4.741 409 1HD LYS 52 2HD LYS 52 11.738 -12.585 -4.149 410 2HD LYS 52 1HD LYS 52 10.747 -12.690 -2.693 411 1HE LYS 52 2HE LYS 52 10.066 -14.930 -3.196 412 2HE LYS 52 1HE LYS 52 10.695 -14.820 -4.853 413 1HZ LYS 52 1HZ LYS 52 12.318 -14.597 -2.371 414 2HZ LYS 52 2HZ LYS 52 12.912 -14.479 -3.959 415 3HZ LYS 52 3HZ LYS 52 12.272 -15.949 -3.395 416 H ASP 53 H ASP 53 5.869 -11.149 -2.890 417 HA ASP 53 HA ASP 53 6.157 -8.315 -3.841 418 1HB ASP 53 2HB ASP 53 4.667 -10.701 -4.757 419 2HB ASP 53 1HB ASP 53 3.730 -9.207 -4.743 420 H LYS 54 H LYS 54 6.057 -8.474 -1.200 421 HA LYS 54 HA LYS 54 3.533 -7.247 -0.467 422 1HB LYS 54 2HB LYS 54 3.513 -9.964 -0.570 423 2HB LYS 54 1HB LYS 54 3.986 -9.705 1.103 424 1HG LYS 54 2HG LYS 54 2.011 -8.035 1.197 425 2HG LYS 54 1HG LYS 54 1.491 -8.762 -0.317 426 1HD LYS 54 2HD LYS 54 0.352 -9.871 1.521 427 2HD LYS 54 1HD LYS 54 1.494 -10.994 0.783 428 1HE LYS 54 2HE LYS 54 2.936 -10.941 2.613 429 2HE LYS 54 1HE LYS 54 2.428 -9.309 3.091 430 1HZ LYS 54 1HZ LYS 54 1.408 -10.838 4.587 431 2HZ LYS 54 2HZ LYS 54 0.853 -11.817 3.315 432 3HZ LYS 54 3HZ LYS 54 0.194 -10.269 3.550 433 H GLN 55 H GLN 55 6.599 -8.678 0.599 434 HA GLN 55 HA GLN 55 6.554 -7.460 3.243 435 1HB GLN 55 2HB GLN 55 8.424 -9.007 1.512 436 2HB GLN 55 1HB GLN 55 9.129 -8.096 2.845 437 1HG GLN 55 2HG GLN 55 6.801 -10.008 3.165 438 2HG GLN 55 1HG GLN 55 8.483 -10.459 3.445 439 1HE2 GLN 55 1HE2 GLN 55 5.746 -9.345 5.039 440 2HE2 GLN 55 2HE2 GLN 55 6.495 -8.631 6.384 441 HA PRO 56 HA PRO 56 9.609 -4.337 1.315 442 1HB PRO 56 2HB PRO 56 9.828 -4.188 -1.406 443 2HB PRO 56 1HB PRO 56 10.851 -5.238 -0.404 444 1HG PRO 56 2HG PRO 56 8.478 -5.924 -2.054 445 2HG PRO 56 1HG PRO 56 9.965 -6.842 -1.775 446 1HD PRO 56 2HD PRO 56 7.586 -7.366 -0.544 447 2HD PRO 56 1HD PRO 56 9.170 -7.791 0.138 448 H TYR 57 H TYR 57 6.452 -4.979 0.083 449 HA TYR 57 HA TYR 57 6.016 -2.265 -0.984 450 1HB TYR 57 2HB TYR 57 4.394 -4.786 -0.622 451 2HB TYR 57 1HB TYR 57 3.637 -3.281 -1.150 452 HD1 TYR 57 1HD TYR 57 5.420 -2.008 -2.943 453 HD2 TYR 57 2HD TYR 57 4.777 -6.222 -2.416 454 HE1 TYR 57 1HE TYR 57 6.223 -2.419 -5.252 455 HE2 TYR 57 2HE TYR 57 5.580 -6.631 -4.727 456 HH TYR 57 HH TYR 57 7.357 -4.687 -6.425 457 H GLU 58 H GLU 58 5.132 -4.162 1.903 458 HA GLU 58 HA GLU 58 3.398 -2.116 3.020 459 1HB GLU 58 2HB GLU 58 3.550 -3.574 5.034 460 2HB GLU 58 1HB GLU 58 3.199 -4.495 3.574 461 1HG GLU 58 2HG GLU 58 5.127 -5.665 3.727 462 2HG GLU 58 1HG GLU 58 6.075 -4.212 4.031 463 H GLN 59 H GLN 59 6.848 -2.674 3.016 464 HA GLN 59 HA GLN 59 7.462 -1.057 5.365 465 1HB GLN 59 2HB GLN 59 8.963 -2.260 3.040 466 2HB GLN 59 1HB GLN 59 9.784 -1.180 4.169 467 1HG GLN 59 2HG GLN 59 9.521 -2.642 5.968 468 2HG GLN 59 1HG GLN 59 8.141 -3.458 5.233 469 1HE2 GLN 59 1HE2 GLN 59 11.492 -2.788 4.053 470 2HE2 GLN 59 2HE2 GLN 59 11.821 -4.400 3.640 471 H LYS 60 H LYS 60 8.313 -0.491 1.931 472 HA LYS 60 HA LYS 60 8.980 2.195 1.986 473 1HB LYS 60 2HB LYS 60 8.923 0.472 0.084 474 2HB LYS 60 1HB LYS 60 7.248 0.965 -0.164 475 1HG LYS 60 2HG LYS 60 8.111 3.362 -0.306 476 2HG LYS 60 1HG LYS 60 9.733 2.674 -0.394 477 1HD LYS 60 2HD LYS 60 8.637 1.177 -2.288 478 2HD LYS 60 1HD LYS 60 7.500 2.523 -2.384 479 1HE LYS 60 2HE LYS 60 10.471 3.056 -2.372 480 2HE LYS 60 1HE LYS 60 9.636 2.629 -3.880 481 1HZ LYS 60 1HZ LYS 60 8.007 4.370 -3.410 482 2HZ LYS 60 2HZ LYS 60 9.573 5.016 -3.541 483 3HZ LYS 60 3HZ LYS 60 8.862 4.809 -2.012 484 H ALA 61 H ALA 61 5.722 0.873 2.253 485 HA ALA 61 HA ALA 61 4.456 3.527 1.901 486 1HB ALA 61 1HB ALA 61 2.506 2.282 1.683 487 2HB ALA 61 2HB ALA 61 3.028 1.077 2.860 488 3HB ALA 61 3HB ALA 61 3.686 1.055 1.225 489 H ALA 62 H ALA 62 5.129 1.128 4.420 490 HA ALA 62 HA ALA 62 3.687 2.288 6.584 491 1HB ALA 62 1HB ALA 62 6.176 0.603 6.311 492 2HB ALA 62 2HB ALA 62 4.570 0.110 6.846 493 3HB ALA 62 3HB ALA 62 5.588 1.091 7.900 494 H LYS 63 H LYS 63 7.103 2.788 5.601 495 HA LYS 63 HA LYS 63 7.720 4.745 7.613 496 1HB LYS 63 2HB LYS 63 9.266 3.358 6.117 497 2HB LYS 63 1HB LYS 63 8.902 4.510 4.832 498 1HG LYS 63 2HG LYS 63 10.794 5.498 5.730 499 2HG LYS 63 1HG LYS 63 9.548 6.281 6.704 500 1HD LYS 63 2HD LYS 63 11.161 5.513 8.275 501 2HD LYS 63 1HD LYS 63 9.847 4.339 8.357 502 1HE LYS 63 2HE LYS 63 11.108 2.891 6.732 503 2HE LYS 63 1HE LYS 63 12.466 4.029 6.848 504 1HZ LYS 63 1HZ LYS 63 11.173 2.671 9.155 505 2HZ LYS 63 2HZ LYS 63 12.498 3.730 9.231 506 3HZ LYS 63 3HZ LYS 63 12.658 2.219 8.473 507 H LEU 64 H LEU 64 7.052 5.203 4.120 508 HA LEU 64 HA LEU 64 6.925 8.005 4.023 509 1HB LEU 64 2HB LEU 64 5.573 5.748 2.565 510 2HB LEU 64 1HB LEU 64 5.144 7.413 2.169 511 HG LEU 64 HG LEU 64 7.997 6.396 2.227 512 1HD1 LEU 64 1HD1 LEU 64 6.291 5.414 0.465 513 2HD1 LEU 64 2HD1 LEU 64 7.890 5.947 -0.055 514 3HD1 LEU 64 3HD1 LEU 64 6.489 6.990 -0.299 515 1HD2 LEU 64 1HD2 LEU 64 7.934 8.770 2.475 516 2HD2 LEU 64 2HD2 LEU 64 6.633 8.932 1.294 517 3HD2 LEU 64 3HD2 LEU 64 8.255 8.490 0.763 518 H LYS 65 H LYS 65 4.522 5.725 5.220 519 HA LYS 65 HA LYS 65 2.344 7.647 5.431 520 1HB LYS 65 2HB LYS 65 2.081 5.177 5.246 521 2HB LYS 65 1HB LYS 65 2.861 4.992 6.817 522 1HG LYS 65 2HG LYS 65 1.078 6.116 7.944 523 2HG LYS 65 1HG LYS 65 0.385 6.682 6.424 524 1HD LYS 65 2HD LYS 65 0.103 4.208 5.809 525 2HD LYS 65 1HD LYS 65 0.441 3.862 7.505 526 1HE LYS 65 2HE LYS 65 -1.427 5.612 8.008 527 2HE LYS 65 1HE LYS 65 -1.907 5.341 6.321 528 1HZ LYS 65 1HZ LYS 65 -3.007 3.752 7.763 529 2HZ LYS 65 2HZ LYS 65 -1.512 3.237 8.385 530 3HZ LYS 65 3HZ LYS 65 -1.902 2.950 6.757 531 H GLU 66 H GLU 66 4.518 6.087 7.790 532 HA GLU 66 HA GLU 66 3.775 7.317 10.176 533 1HB GLU 66 2HB GLU 66 5.554 5.568 9.712 534 2HB GLU 66 1HB GLU 66 6.631 6.890 9.259 535 1HG GLU 66 2HG GLU 66 6.442 7.874 11.472 536 2HG GLU 66 1HG GLU 66 5.227 6.684 11.938 537 H LYS 67 H LYS 67 5.789 8.734 7.604 538 HA LYS 67 HA LYS 67 6.570 11.106 9.061 539 1HB LYS 67 2HB LYS 67 6.404 10.258 6.167 540 2HB LYS 67 1HB LYS 67 6.905 11.894 6.598 541 1HG LYS 67 2HG LYS 67 8.547 10.684 8.238 542 2HG LYS 67 1HG LYS 67 8.268 9.282 7.202 543 1HD LYS 67 2HD LYS 67 9.020 10.508 5.246 544 2HD LYS 67 1HD LYS 67 9.152 11.997 6.183 545 1HE LYS 67 2HE LYS 67 10.803 10.666 7.688 546 2HE LYS 67 1HE LYS 67 10.890 9.533 6.325 547 1HZ LYS 67 1HZ LYS 67 11.300 12.472 6.144 548 2HZ LYS 67 2HZ LYS 67 11.398 11.370 4.854 549 3HZ LYS 67 3HZ LYS 67 12.537 11.312 6.112 550 H TYR 68 H TYR 68 4.217 10.707 6.415 551 HA TYR 68 HA TYR 68 2.932 13.052 6.103 552 1HB TYR 68 2HB TYR 68 2.290 10.905 5.111 553 2HB TYR 68 1HB TYR 68 1.587 10.390 6.639 554 HD1 TYR 68 1HD TYR 68 -0.631 10.987 7.217 555 HD2 TYR 68 2HD TYR 68 1.334 12.970 3.951 556 HE1 TYR 68 1HE TYR 68 -2.771 12.072 6.589 557 HE2 TYR 68 2HE TYR 68 -0.806 14.055 3.324 558 HH TYR 68 HH TYR 68 -3.499 14.123 5.356 559 H GLU 69 H GLU 69 2.218 10.974 8.946 560 HA GLU 69 HA GLU 69 0.201 12.631 10.118 561 1HB GLU 69 2HB GLU 69 2.294 10.819 11.379 562 2HB GLU 69 1HB GLU 69 0.830 11.383 12.184 563 1HG GLU 69 2HG GLU 69 -0.355 10.371 10.045 564 2HG GLU 69 1HG GLU 69 1.121 9.410 9.947 565 H LYS 70 H LYS 70 3.710 12.519 10.681 566 HA LYS 70 HA LYS 70 3.744 14.828 12.466 567 1HB LYS 70 2HB LYS 70 5.614 12.901 11.217 568 2HB LYS 70 1HB LYS 70 6.307 14.493 11.527 569 1HG LYS 70 2HG LYS 70 6.702 13.452 13.567 570 2HG LYS 70 1HG LYS 70 5.134 14.198 13.880 571 1HD LYS 70 2HD LYS 70 4.653 12.046 14.556 572 2HD LYS 70 1HD LYS 70 4.256 11.895 12.844 573 1HE LYS 70 2HE LYS 70 6.107 10.597 12.392 574 2HE LYS 70 1HE LYS 70 7.104 11.419 13.610 575 1HZ LYS 70 1HZ LYS 70 5.849 10.363 15.352 576 2HZ LYS 70 2HZ LYS 70 6.449 9.165 14.307 577 3HZ LYS 70 3HZ LYS 70 4.816 9.625 14.226 578 H ASP 71 H ASP 71 4.873 14.259 9.129 579 HA ASP 71 HA ASP 71 5.660 16.844 8.385 580 1HB ASP 71 2HB ASP 71 4.663 14.380 7.101 581 2HB ASP 71 1HB ASP 71 4.454 15.829 6.124 582 H ILE 72 H ILE 72 2.369 15.449 8.054 583 HA ILE 72 HA ILE 72 1.112 17.797 7.006 584 HB ILE 72 HB ILE 72 0.154 15.399 8.596 585 1HG1 ILE 72 2HG1 ILE 72 1.094 15.062 6.301 586 2HG1 ILE 72 1HG1 ILE 72 -0.598 14.592 6.435 587 1HG2 ILE 72 1HG2 ILE 72 -1.445 17.686 7.452 588 2HG2 ILE 72 2HG2 ILE 72 -1.578 16.934 9.043 589 3HG2 ILE 72 3HG2 ILE 72 -2.145 16.074 7.611 590 1HD1 ILE 72 1HD1 ILE 72 -1.235 16.840 5.509 591 2HD1 ILE 72 2HD1 ILE 72 -0.307 15.855 4.380 592 3HD1 ILE 72 3HD1 ILE 72 0.477 17.171 5.250 593 H ALA 73 H ALA 73 1.874 16.814 10.311 594 HA ALA 73 HA ALA 73 0.216 18.739 11.674 595 1HB ALA 73 1HB ALA 73 2.826 17.447 12.531 596 2HB ALA 73 2HB ALA 73 1.248 16.666 12.630 597 3HB ALA 73 3HB ALA 73 1.583 18.101 13.597 598 H ALA 74 H ALA 74 3.750 18.778 10.993 599 HA ALA 74 HA ALA 74 4.047 21.536 11.879 600 1HB ALA 74 1HB ALA 74 6.354 21.167 10.951 601 2HB ALA 74 2HB ALA 74 5.807 19.610 10.328 602 3HB ALA 74 3HB ALA 74 5.844 19.901 12.068 603 H TYR 75 H TYR 75 3.477 19.928 8.805 604 HA TYR 75 HA TYR 75 4.118 22.246 7.149 605 1HB TYR 75 2HB TYR 75 4.169 19.783 6.509 606 2HB TYR 75 1HB TYR 75 2.405 19.834 6.489 607 HD1 TYR 75 1HD TYR 75 1.227 21.420 4.925 608 HD2 TYR 75 2HD TYR 75 5.458 20.704 4.725 609 HE1 TYR 75 1HE TYR 75 1.283 22.385 2.641 610 HE2 TYR 75 2HE TYR 75 5.513 21.668 2.441 611 HH TYR 75 HH TYR 75 3.930 23.445 1.159 612 H ARG 76 H ARG 76 1.327 21.154 8.954 613 HA ARG 76 HA ARG 76 -0.558 22.864 7.448 614 1HB ARG 76 2HB ARG 76 -1.169 20.622 8.275 615 2HB ARG 76 1HB ARG 76 -0.820 21.130 9.928 616 1HG ARG 76 2HG ARG 76 -2.656 22.612 9.987 617 2HG ARG 76 1HG ARG 76 -2.815 22.623 8.231 618 1HD ARG 76 2HD ARG 76 -3.112 19.986 9.614 619 2HD ARG 76 1HD ARG 76 -4.453 21.143 9.738 620 HE ARG 76 HE ARG 76 -3.332 20.123 7.160 621 1HH1 ARG 76 1HH2 ARG 76 -4.849 22.883 7.694 622 2HH1 ARG 76 2HH2 ARG 76 -6.383 22.473 7.000 623 1HH2 ARG 76 1HH1 ARG 76 -5.697 19.077 6.835 624 2HH2 ARG 76 2HH1 ARG 76 -6.862 20.317 6.514 625 H ALA 77 H ALA 77 1.670 23.317 10.004 626 HA ALA 77 HA ALA 77 0.082 25.632 11.060 627 1HB ALA 77 1HB ALA 77 2.195 23.913 12.403 628 2HB ALA 77 2HB ALA 77 0.455 23.749 12.639 629 3HB ALA 77 3HB ALA 77 1.283 25.212 13.171 630 H LYS 78 H LYS 78 1.002 27.122 9.527 631 HA LYS 78 HA LYS 78 3.878 27.780 10.048 632 1HB LYS 78 2HB LYS 78 3.216 26.467 7.868 633 2HB LYS 78 1HB LYS 78 2.626 28.038 7.325 634 1HG LYS 78 2HG LYS 78 4.859 29.019 7.823 635 2HG LYS 78 1HG LYS 78 5.441 27.412 8.261 636 1HD LYS 78 2HD LYS 78 4.176 27.947 5.573 637 2HD LYS 78 1HD LYS 78 5.898 28.211 5.850 638 1HE LYS 78 2HE LYS 78 4.674 25.591 6.681 639 2HE LYS 78 1HE LYS 78 5.097 25.859 4.979 640 1HZ LYS 78 1HZ LYS 78 7.307 26.542 5.661 641 2HZ LYS 78 2HZ LYS 78 6.984 24.975 6.230 642 3HZ LYS 78 3HZ LYS 78 6.913 26.299 7.292 Start of MODEL 10 1 1H MET 1 1HT MET 1 -11.216 18.110 -4.566 2 2H MET 1 2HT MET 1 -10.772 17.326 -6.007 3 3H MET 1 3HT MET 1 -10.508 18.995 -5.829 4 HA MET 1 HA MET 1 -9.196 16.938 -4.128 5 1HB MET 1 2HB MET 1 -7.260 17.333 -5.646 6 2HB MET 1 1HB MET 1 -8.639 16.653 -6.506 7 1HG MET 1 2HG MET 1 -9.246 18.820 -7.389 8 2HG MET 1 1HG MET 1 -8.045 19.622 -6.376 9 1HE MET 1 1HE MET 1 -7.605 17.616 -10.378 10 2HE MET 1 2HE MET 1 -9.028 18.158 -9.492 11 3HE MET 1 3HE MET 1 -8.272 16.622 -9.076 12 H LYS 2 H LYS 2 -7.465 17.897 -2.869 13 HA LYS 2 HA LYS 2 -7.439 20.886 -2.741 14 1HB LYS 2 2HB LYS 2 -8.073 18.852 -0.606 15 2HB LYS 2 1HB LYS 2 -7.428 20.435 -0.167 16 1HG LYS 2 2HG LYS 2 -9.783 20.208 -2.031 17 2HG LYS 2 1HG LYS 2 -10.013 20.149 -0.284 18 1HD LYS 2 2HD LYS 2 -8.407 22.351 -1.579 19 2HD LYS 2 1HD LYS 2 -10.160 22.465 -1.418 20 1HE LYS 2 2HE LYS 2 -9.947 22.119 1.037 21 2HE LYS 2 1HE LYS 2 -8.181 22.080 0.858 22 1HZ LYS 2 1HZ LYS 2 -8.269 24.259 -0.183 23 2HZ LYS 2 2HZ LYS 2 -8.957 24.322 1.369 24 3HZ LYS 2 3HZ LYS 2 -9.955 24.305 -0.006 25 H LYS 3 H LYS 3 -5.492 18.955 -3.827 26 HA LYS 3 HA LYS 3 -3.284 19.014 -1.823 27 1HB LYS 3 2HB LYS 3 -4.027 16.958 -3.164 28 2HB LYS 3 1HB LYS 3 -3.349 17.761 -4.578 29 1HG LYS 3 2HG LYS 3 -1.291 17.050 -4.009 30 2HG LYS 3 1HG LYS 3 -1.406 17.916 -2.478 31 1HD LYS 3 2HD LYS 3 -2.728 15.228 -2.838 32 2HD LYS 3 1HD LYS 3 -1.024 15.350 -2.399 33 1HE LYS 3 2HE LYS 3 -1.640 16.748 -0.435 34 2HE LYS 3 1HE LYS 3 -3.353 16.550 -0.856 35 1HZ LYS 3 1HZ LYS 3 -3.049 14.146 -0.771 36 2HZ LYS 3 2HZ LYS 3 -2.666 14.854 0.724 37 3HZ LYS 3 3HZ LYS 3 -1.427 14.348 -0.322 38 H ASP 4 H ASP 4 -1.621 20.465 -2.044 39 HA ASP 4 HA ASP 4 -1.590 22.215 -4.468 40 1HB ASP 4 2HB ASP 4 -1.000 22.457 -1.569 41 2HB ASP 4 1HB ASP 4 0.065 23.370 -2.637 42 HA PRO 5 HA PRO 5 2.353 20.706 -5.727 43 1HB PRO 5 2HB PRO 5 3.823 22.951 -6.264 44 2HB PRO 5 1HB PRO 5 2.490 22.398 -7.298 45 1HG PRO 5 2HG PRO 5 2.525 24.556 -5.249 46 2HG PRO 5 1HG PRO 5 1.719 24.508 -6.826 47 1HD PRO 5 2HD PRO 5 0.427 24.092 -4.462 48 2HD PRO 5 1HD PRO 5 -0.101 23.389 -6.007 49 H ASN 6 H ASN 6 2.390 23.130 -3.171 50 HA ASN 6 HA ASN 6 5.123 22.563 -2.290 51 1HB ASN 6 2HB ASN 6 2.742 24.115 -1.269 52 2HB ASN 6 1HB ASN 6 4.201 23.947 -0.292 53 1HD2 ASN 6 1HD2 ASN 6 2.811 25.573 -3.053 54 2HD2 ASN 6 2HD2 ASN 6 4.184 26.483 -3.461 55 H ALA 7 H ALA 7 1.863 21.501 -1.425 56 HA ALA 7 HA ALA 7 2.518 20.148 1.036 57 1HB ALA 7 1HB ALA 7 0.247 20.828 0.243 58 2HB ALA 7 2HB ALA 7 0.316 19.123 0.690 59 3HB ALA 7 3HB ALA 7 0.344 19.591 -1.011 60 HA PRO 8 HA PRO 8 4.338 16.500 -0.559 61 1HB PRO 8 2HB PRO 8 3.713 14.680 1.357 62 2HB PRO 8 1HB PRO 8 4.971 15.917 1.516 63 1HG PRO 8 2HG PRO 8 2.357 15.764 2.782 64 2HG PRO 8 1HG PRO 8 3.796 16.692 3.183 65 1HD PRO 8 2HD PRO 8 1.441 17.658 1.923 66 2HD PRO 8 1HD PRO 8 2.924 18.552 2.311 67 H LYS 9 H LYS 9 3.861 14.362 -1.495 68 HA LYS 9 HA LYS 9 1.295 14.194 -2.786 69 1HB LYS 9 2HB LYS 9 3.625 12.301 -2.404 70 2HB LYS 9 1HB LYS 9 2.234 11.899 -3.412 71 1HG LYS 9 2HG LYS 9 2.629 13.992 -4.718 72 2HG LYS 9 1HG LYS 9 4.087 14.271 -3.767 73 1HD LYS 9 2HD LYS 9 4.832 13.177 -5.747 74 2HD LYS 9 1HD LYS 9 4.830 11.930 -4.500 75 1HE LYS 9 2HE LYS 9 2.578 11.186 -5.273 76 2HE LYS 9 1HE LYS 9 2.660 12.386 -6.580 77 1HZ LYS 9 1HZ LYS 9 4.644 10.229 -6.078 78 2HZ LYS 9 2HZ LYS 9 4.746 11.397 -7.307 79 3HZ LYS 9 3HZ LYS 9 3.500 10.242 -7.330 80 H ARG 10 H ARG 10 0.358 11.719 -2.663 81 HA ARG 10 HA ARG 10 -0.895 11.555 -0.007 82 1HB ARG 10 2HB ARG 10 -1.164 10.004 -2.602 83 2HB ARG 10 1HB ARG 10 -2.189 9.737 -1.191 84 1HG ARG 10 2HG ARG 10 -2.774 12.201 -1.273 85 2HG ARG 10 1HG ARG 10 -1.945 12.272 -2.829 86 1HD ARG 10 2HD ARG 10 -4.243 11.893 -3.373 87 2HD ARG 10 1HD ARG 10 -3.484 10.296 -3.515 88 HE ARG 10 HE ARG 10 -4.481 9.667 -1.411 89 1HH1 ARG 10 1HH1 ARG 10 -6.711 11.292 -2.810 90 2HH1 ARG 10 2HH1 ARG 10 -7.285 12.240 -1.479 91 1HH2 ARG 10 1HH2 ARG 10 -4.524 11.591 0.516 92 2HH2 ARG 10 2HH2 ARG 10 -6.046 12.410 0.405 93 HA PRO 11 HA PRO 11 1.991 8.457 1.363 94 1HB PRO 11 2HB PRO 11 0.638 7.540 3.555 95 2HB PRO 11 1HB PRO 11 1.494 9.094 3.530 96 1HG PRO 11 2HG PRO 11 -1.409 8.530 3.276 97 2HG PRO 11 1HG PRO 11 -0.583 9.880 4.068 98 1HD PRO 11 2HD PRO 11 -1.775 10.025 1.597 99 2HD PRO 11 1HD PRO 11 -0.473 11.100 2.150 100 HA PRO 12 HA PRO 12 0.151 4.828 -0.482 101 1HB PRO 12 2HB PRO 12 2.147 3.031 0.040 102 2HB PRO 12 1HB PRO 12 2.266 4.259 -1.237 103 1HG PRO 12 2HG PRO 12 3.446 4.244 1.493 104 2HG PRO 12 1HG PRO 12 4.135 4.824 -0.031 105 1HD PRO 12 2HD PRO 12 3.074 6.467 1.874 106 2HD PRO 12 1HD PRO 12 3.131 6.869 0.144 107 H SER 13 H SER 13 0.255 2.246 0.431 108 HA SER 13 HA SER 13 -0.052 2.045 3.327 109 1HB SER 13 2HB SER 13 -2.515 1.637 3.199 110 2HB SER 13 1HB SER 13 -2.075 3.280 2.742 111 HG SER 13 HG SER 13 -3.271 2.718 1.065 112 H ALA 14 H ALA 14 1.455 0.541 1.381 113 HA ALA 14 HA ALA 14 1.969 -1.707 0.972 114 1HB ALA 14 1HB ALA 14 0.367 -1.740 3.270 115 2HB ALA 14 2HB ALA 14 1.303 -3.093 2.637 116 3HB ALA 14 3HB ALA 14 -0.395 -2.914 2.196 117 H PHE 15 H PHE 15 -1.622 -1.854 1.034 118 HA PHE 15 HA PHE 15 -1.865 -3.296 -1.398 119 1HB PHE 15 2HB PHE 15 -3.621 -2.989 0.334 120 2HB PHE 15 1HB PHE 15 -3.764 -1.293 -0.125 121 HD1 PHE 15 1HD PHE 15 -4.793 -4.671 -0.856 122 HD2 PHE 15 2HD PHE 15 -4.413 -0.738 -2.542 123 HE1 PHE 15 1HE PHE 15 -6.372 -5.290 -2.665 124 HE2 PHE 15 2HE PHE 15 -5.989 -1.360 -4.351 125 HZ PHE 15 HZ PHE 15 -6.966 -3.637 -4.417 126 H PHE 16 H PHE 16 -1.429 0.149 -0.824 127 HA PHE 16 HA PHE 16 -2.273 1.047 -3.438 128 1HB PHE 16 2HB PHE 16 -1.964 2.343 -1.223 129 2HB PHE 16 1HB PHE 16 -0.247 2.377 -1.625 130 HD1 PHE 16 1HD PHE 16 -3.484 3.845 -2.249 131 HD2 PHE 16 2HD PHE 16 0.465 3.363 -3.867 132 HE1 PHE 16 1HE PHE 16 -3.876 5.759 -3.777 133 HE2 PHE 16 2HE PHE 16 0.073 5.277 -5.394 134 HZ PHE 16 HZ PHE 16 -2.097 6.475 -5.350 135 H LEU 17 H LEU 17 0.805 -0.124 -2.129 136 HA LEU 17 HA LEU 17 2.447 0.671 -4.383 137 1HB LEU 17 2HB LEU 17 2.602 -1.425 -2.203 138 2HB LEU 17 1HB LEU 17 3.866 -1.277 -3.423 139 HG LEU 17 HG LEU 17 3.859 1.250 -2.771 140 1HD1 LEU 17 1HD1 LEU 17 3.327 1.440 -0.267 141 2HD1 LEU 17 2HD1 LEU 17 2.427 -0.064 -0.459 142 3HD1 LEU 17 3HD1 LEU 17 1.946 1.372 -1.362 143 1HD2 LEU 17 1HD2 LEU 17 5.596 -0.603 -2.277 144 2HD2 LEU 17 2HD2 LEU 17 4.894 -0.641 -0.660 145 3HD2 LEU 17 3HD2 LEU 17 5.637 0.841 -1.265 146 H PHE 18 H PHE 18 1.565 -2.617 -3.460 147 HA PHE 18 HA PHE 18 1.842 -4.125 -5.714 148 1HB PHE 18 2HB PHE 18 0.891 -4.943 -3.606 149 2HB PHE 18 1HB PHE 18 -0.598 -4.047 -3.905 150 HD1 PHE 18 1HD PHE 18 1.556 -6.798 -5.221 151 HD2 PHE 18 2HD PHE 18 -2.324 -4.956 -5.259 152 HE1 PHE 18 1HE PHE 18 0.656 -8.719 -6.507 153 HE2 PHE 18 2HE PHE 18 -3.224 -6.876 -6.544 154 HZ PHE 18 HZ PHE 18 -1.736 -8.759 -7.170 155 H CYS 19 H CYS 19 -1.272 -2.334 -5.174 156 HA CYS 19 HA CYS 19 -2.262 -2.794 -7.801 157 1HB CYS 19 2HB CYS 19 -3.557 -2.088 -5.778 158 2HB CYS 19 1HB CYS 19 -2.814 -0.496 -5.904 159 HG CYS 19 HG CYS 19 -3.951 -0.399 -8.378 160 H SER 20 H SER 20 -0.507 0.020 -6.444 161 HA SER 20 HA SER 20 -0.570 1.736 -8.671 162 1HB SER 20 2HB SER 20 1.380 1.199 -6.450 163 2HB SER 20 1HB SER 20 1.769 2.392 -7.682 164 HG SER 20 HG SER 20 0.303 3.678 -6.881 165 H GLU 21 H GLU 21 1.502 -1.109 -8.141 166 HA GLU 21 HA GLU 21 3.083 -0.494 -10.556 167 1HB GLU 21 2HB GLU 21 4.315 -2.534 -9.890 168 2HB GLU 21 1HB GLU 21 4.149 -1.411 -8.544 169 1HG GLU 21 2HG GLU 21 2.490 -2.721 -7.501 170 2HG GLU 21 1HG GLU 21 2.156 -3.631 -8.976 171 H HIS 22 H HIS 22 0.349 -2.595 -9.654 172 HA HIS 22 HA HIS 22 0.524 -3.979 -12.284 173 1HB HIS 22 2HB HIS 22 -1.009 -4.361 -9.703 174 2HB HIS 22 1HB HIS 22 -1.375 -5.293 -11.152 175 HD1 HIS 22 1HD HIS 22 0.910 -6.502 -12.223 176 HD2 HIS 22 2HD HIS 22 0.919 -5.564 -8.162 177 HE1 HIS 22 1HE HIS 22 2.704 -7.939 -11.160 178 H ARG 23 H ARG 23 -0.584 -1.064 -11.509 179 HA ARG 23 HA ARG 23 -3.401 -1.263 -12.265 180 1HB ARG 23 2HB ARG 23 -2.147 0.433 -10.719 181 2HB ARG 23 1HB ARG 23 -1.772 1.267 -12.222 182 1HG ARG 23 2HG ARG 23 -4.364 0.928 -12.669 183 2HG ARG 23 1HG ARG 23 -4.422 0.830 -10.909 184 1HD ARG 23 2HD ARG 23 -3.127 3.106 -12.453 185 2HD ARG 23 1HD ARG 23 -4.739 3.173 -11.714 186 HE ARG 23 HE ARG 23 -2.420 2.420 -10.003 187 1HH1 ARG 23 1HH1 ARG 23 -3.013 5.389 -10.914 188 2HH1 ARG 23 2HH1 ARG 23 -3.771 5.973 -9.470 189 1HH2 ARG 23 1HH2 ARG 23 -4.236 2.813 -8.120 190 2HH2 ARG 23 2HH2 ARG 23 -4.464 4.514 -7.889 191 HA PRO 24 HA PRO 24 -1.827 0.634 -16.340 192 1HB PRO 24 2HB PRO 24 0.836 0.529 -16.937 193 2HB PRO 24 1HB PRO 24 0.089 1.893 -16.084 194 1HG PRO 24 2HG PRO 24 1.727 -0.334 -15.021 195 2HG PRO 24 1HG PRO 24 1.630 1.352 -14.495 196 1HD PRO 24 2HD PRO 24 0.412 -0.776 -13.235 197 2HD PRO 24 1HD PRO 24 -0.067 0.924 -13.058 198 H LYS 25 H LYS 25 -0.820 -2.343 -14.989 199 HA LYS 25 HA LYS 25 -0.135 -3.644 -17.543 200 1HB LYS 25 2HB LYS 25 0.938 -4.132 -15.323 201 2HB LYS 25 1HB LYS 25 -0.609 -4.769 -14.764 202 1HG LYS 25 2HG LYS 25 -0.564 -6.382 -16.695 203 2HG LYS 25 1HG LYS 25 1.071 -5.824 -17.054 204 1HD LYS 25 2HD LYS 25 1.646 -6.399 -14.628 205 2HD LYS 25 1HD LYS 25 0.100 -7.245 -14.569 206 1HE LYS 25 2HE LYS 25 0.906 -8.468 -16.713 207 2HE LYS 25 1HE LYS 25 2.520 -7.881 -16.262 208 1HZ LYS 25 1HZ LYS 25 2.220 -8.817 -14.061 209 2HZ LYS 25 2HZ LYS 25 2.038 -10.033 -15.234 210 3HZ LYS 25 3HZ LYS 25 0.671 -9.371 -14.472 211 H ILE 26 H ILE 26 -2.828 -3.572 -15.220 212 HA ILE 26 HA ILE 26 -4.401 -5.617 -16.556 213 HB ILE 26 HB ILE 26 -5.119 -3.405 -14.601 214 1HG1 ILE 26 2HG1 ILE 26 -3.377 -4.945 -13.771 215 2HG1 ILE 26 1HG1 ILE 26 -4.887 -5.182 -12.898 216 1HG2 ILE 26 1HG2 ILE 26 -6.887 -5.384 -14.093 217 2HG2 ILE 26 2HG2 ILE 26 -6.672 -5.626 -15.826 218 3HG2 ILE 26 3HG2 ILE 26 -7.227 -4.067 -15.215 219 1HD1 ILE 26 1HD1 ILE 26 -4.025 -7.368 -13.441 220 2HD1 ILE 26 2HD1 ILE 26 -3.766 -6.907 -15.124 221 3HD1 ILE 26 3HD1 ILE 26 -5.406 -7.076 -14.498 222 H LYS 27 H LYS 27 -3.906 -2.201 -17.071 223 HA LYS 27 HA LYS 27 -6.391 -1.712 -18.532 224 1HB LYS 27 2HB LYS 27 -3.748 -0.277 -18.171 225 2HB LYS 27 1HB LYS 27 -5.056 0.387 -19.153 226 1HG LYS 27 2HG LYS 27 -6.562 0.377 -17.245 227 2HG LYS 27 1HG LYS 27 -5.351 -0.434 -16.250 228 1HD LYS 27 2HD LYS 27 -5.180 1.862 -15.660 229 2HD LYS 27 1HD LYS 27 -3.830 1.576 -16.759 230 1HE LYS 27 2HE LYS 27 -5.494 2.321 -18.632 231 2HE LYS 27 1HE LYS 27 -6.411 3.040 -17.293 232 1HZ LYS 27 1HZ LYS 27 -3.514 3.464 -17.807 233 2HZ LYS 27 2HZ LYS 27 -4.421 4.168 -16.554 234 3HZ LYS 27 3HZ LYS 27 -4.738 4.579 -18.172 235 H SER 28 H SER 28 -3.259 -3.048 -19.325 236 HA SER 28 HA SER 28 -3.336 -2.481 -22.182 237 1HB SER 28 2HB SER 28 -1.325 -3.003 -20.695 238 2HB SER 28 1HB SER 28 -1.860 -4.681 -20.707 239 HG SER 28 HG SER 28 -0.286 -3.898 -22.386 240 H GLU 29 H GLU 29 -3.986 -5.385 -20.205 241 HA GLU 29 HA GLU 29 -5.052 -6.875 -22.511 242 1HB GLU 29 2HB GLU 29 -4.839 -7.402 -19.532 243 2HB GLU 29 1HB GLU 29 -5.426 -8.590 -20.699 244 1HG GLU 29 2HG GLU 29 -2.755 -7.228 -21.048 245 2HG GLU 29 1HG GLU 29 -2.923 -8.689 -20.075 246 H HIS 30 H HIS 30 -6.355 -4.406 -20.766 247 HA HIS 30 HA HIS 30 -9.121 -5.268 -21.342 248 1HB HIS 30 2HB HIS 30 -8.188 -4.464 -18.563 249 2HB HIS 30 1HB HIS 30 -9.853 -4.788 -19.028 250 HD1 HIS 30 1HD HIS 30 -10.578 -7.232 -19.278 251 HD2 HIS 30 2HD HIS 30 -6.519 -6.802 -18.463 252 HE1 HIS 30 1HE HIS 30 -9.718 -9.544 -18.701 253 HA PRO 31 HA PRO 31 -8.192 -0.820 -22.150 254 1HB PRO 31 2HB PRO 31 -9.763 -0.664 -24.399 255 2HB PRO 31 1HB PRO 31 -8.072 -1.204 -24.433 256 1HG PRO 31 2HG PRO 31 -10.575 -2.832 -24.424 257 2HG PRO 31 1HG PRO 31 -9.096 -3.048 -25.375 258 1HD PRO 31 2HD PRO 31 -9.610 -4.528 -23.175 259 2HD PRO 31 1HD PRO 31 -7.959 -4.048 -23.628 260 H GLY 32 H GLY 32 -9.408 0.576 -20.942 261 1HA GLY 32 2HA GLY 32 -11.448 1.804 -20.494 262 2HA GLY 32 1HA GLY 32 -12.373 0.437 -21.114 263 H LEU 33 H LEU 33 -10.418 -1.319 -19.421 264 HA LEU 33 HA LEU 33 -12.084 -1.953 -17.267 265 1HB LEU 33 2HB LEU 33 -9.875 -2.970 -18.290 266 2HB LEU 33 1HB LEU 33 -9.091 -2.060 -17.006 267 HG LEU 33 HG LEU 33 -9.569 -4.371 -16.295 268 1HD1 LEU 33 1HD1 LEU 33 -11.425 -2.445 -14.883 269 2HD1 LEU 33 2HD1 LEU 33 -9.673 -2.431 -14.685 270 3HD1 LEU 33 3HD1 LEU 33 -10.605 -3.845 -14.195 271 1HD2 LEU 33 1HD2 LEU 33 -11.704 -5.326 -16.316 272 2HD2 LEU 33 2HD2 LEU 33 -11.717 -4.391 -17.811 273 3HD2 LEU 33 3HD2 LEU 33 -12.512 -3.759 -16.369 274 H SER 34 H SER 34 -12.874 -0.265 -16.013 275 HA SER 34 HA SER 34 -11.512 2.034 -15.078 276 1HB SER 34 2HB SER 34 -13.302 1.880 -13.243 277 2HB SER 34 1HB SER 34 -13.889 1.857 -14.903 278 HG SER 34 HG SER 34 -14.121 -0.010 -12.981 279 H ILE 35 H ILE 35 -11.381 2.234 -12.423 280 HA ILE 35 HA ILE 35 -9.172 0.407 -11.676 281 HB ILE 35 HB ILE 35 -10.372 2.856 -10.338 282 1HG1 ILE 35 2HG1 ILE 35 -7.840 2.632 -11.992 283 2HG1 ILE 35 1HG1 ILE 35 -9.378 3.192 -12.647 284 1HG2 ILE 35 1HG2 ILE 35 -7.988 1.120 -9.765 285 2HG2 ILE 35 2HG2 ILE 35 -9.153 1.817 -8.639 286 3HG2 ILE 35 3HG2 ILE 35 -7.920 2.838 -9.379 287 1HD1 ILE 35 1HD1 ILE 35 -7.963 5.094 -11.947 288 2HD1 ILE 35 2HD1 ILE 35 -7.909 4.445 -10.308 289 3HD1 ILE 35 3HD1 ILE 35 -9.438 5.007 -10.983 290 H GLY 36 H GLY 36 -12.294 -0.193 -11.576 291 1HA GLY 36 2HA GLY 36 -12.466 -0.932 -8.699 292 2HA GLY 36 1HA GLY 36 -13.825 -0.891 -9.823 293 H ASP 37 H ASP 37 -13.097 -2.390 -11.908 294 HA ASP 37 HA ASP 37 -13.320 -5.090 -10.999 295 1HB ASP 37 2HB ASP 37 -12.514 -3.809 -13.620 296 2HB ASP 37 1HB ASP 37 -12.767 -5.546 -13.449 297 H THR 38 H THR 38 -10.484 -3.315 -12.306 298 HA THR 38 HA THR 38 -8.662 -5.538 -12.037 299 HB THR 38 HB THR 38 -8.332 -3.607 -13.548 300 HG1 THR 38 1HG THR 38 -6.323 -3.650 -11.557 301 1HG2 THR 38 1HG2 THR 38 -7.510 -1.454 -12.511 302 2HG2 THR 38 2HG2 THR 38 -8.063 -2.071 -10.955 303 3HG2 THR 38 3HG2 THR 38 -9.222 -1.788 -12.254 304 H ALA 39 H ALA 39 -9.745 -2.999 -9.869 305 HA ALA 39 HA ALA 39 -7.699 -3.360 -7.835 306 1HB ALA 39 1HB ALA 39 -8.888 -1.303 -7.861 307 2HB ALA 39 2HB ALA 39 -9.562 -2.159 -6.474 308 3HB ALA 39 3HB ALA 39 -10.449 -2.112 -7.997 309 H LYS 40 H LYS 40 -10.812 -4.833 -8.564 310 HA LYS 40 HA LYS 40 -11.109 -6.253 -6.041 311 1HB LYS 40 2HB LYS 40 -12.327 -6.268 -8.789 312 2HB LYS 40 1HB LYS 40 -12.657 -7.630 -7.717 313 1HG LYS 40 2HG LYS 40 -13.516 -6.125 -6.000 314 2HG LYS 40 1HG LYS 40 -13.093 -4.721 -6.981 315 1HD LYS 40 2HD LYS 40 -15.386 -5.017 -7.429 316 2HD LYS 40 1HD LYS 40 -14.600 -5.808 -8.797 317 1HE LYS 40 2HE LYS 40 -14.849 -8.001 -7.703 318 2HE LYS 40 1HE LYS 40 -15.606 -7.222 -6.299 319 1HZ LYS 40 1HZ LYS 40 -16.584 -7.051 -9.101 320 2HZ LYS 40 2HZ LYS 40 -17.301 -6.309 -7.751 321 3HZ LYS 40 3HZ LYS 40 -17.278 -8.003 -7.880 322 H LYS 41 H LYS 41 -9.861 -7.019 -9.275 323 HA LYS 41 HA LYS 41 -9.178 -9.778 -8.731 324 1HB LYS 41 2HB LYS 41 -9.424 -8.433 -10.955 325 2HB LYS 41 1HB LYS 41 -7.750 -7.953 -10.670 326 1HG LYS 41 2HG LYS 41 -7.024 -10.262 -10.649 327 2HG LYS 41 1HG LYS 41 -8.692 -10.832 -10.719 328 1HD LYS 41 2HD LYS 41 -8.980 -10.054 -12.946 329 2HD LYS 41 1HD LYS 41 -7.524 -9.060 -12.869 330 1HE LYS 41 2HE LYS 41 -6.104 -11.038 -12.817 331 2HE LYS 41 1HE LYS 41 -7.527 -12.095 -12.718 332 1HZ LYS 41 1HZ LYS 41 -8.305 -11.209 -14.819 333 2HZ LYS 41 2HZ LYS 41 -6.749 -11.862 -15.011 334 3HZ LYS 41 3HZ LYS 41 -6.963 -10.179 -14.920 335 H LEU 42 H LEU 42 -7.186 -6.808 -8.878 336 HA LEU 42 HA LEU 42 -4.683 -7.776 -8.098 337 1HB LEU 42 2HB LEU 42 -6.226 -5.264 -7.953 338 2HB LEU 42 1HB LEU 42 -4.890 -5.353 -6.810 339 HG LEU 42 HG LEU 42 -3.352 -5.922 -8.659 340 1HD1 LEU 42 1HD1 LEU 42 -4.029 -6.060 -10.902 341 2HD1 LEU 42 2HD1 LEU 42 -5.538 -5.203 -10.597 342 3HD1 LEU 42 3HD1 LEU 42 -5.351 -6.873 -10.064 343 1HD2 LEU 42 1HD2 LEU 42 -4.863 -3.487 -9.539 344 2HD2 LEU 42 2HD2 LEU 42 -3.122 -3.722 -9.382 345 3HD2 LEU 42 3HD2 LEU 42 -4.118 -3.516 -7.941 346 H GLY 43 H GLY 43 -7.170 -6.480 -5.849 347 1HA GLY 43 2HA GLY 43 -5.855 -7.040 -3.428 348 2HA GLY 43 1HA GLY 43 -7.614 -7.011 -3.597 349 H GLU 44 H GLU 44 -7.572 -9.208 -5.590 350 HA GLU 44 HA GLU 44 -7.752 -11.466 -3.778 351 1HB GLU 44 2HB GLU 44 -8.953 -10.937 -6.039 352 2HB GLU 44 1HB GLU 44 -7.502 -11.605 -6.787 353 1HG GLU 44 2HG GLU 44 -7.853 -13.625 -5.215 354 2HG GLU 44 1HG GLU 44 -9.479 -12.986 -4.973 355 H MET 45 H MET 45 -5.376 -10.300 -6.147 356 HA MET 45 HA MET 45 -3.574 -12.579 -5.798 357 1HB MET 45 2HB MET 45 -3.562 -9.914 -7.210 358 2HB MET 45 1HB MET 45 -2.082 -10.868 -7.107 359 1HG MET 45 2HG MET 45 -3.179 -12.764 -8.180 360 2HG MET 45 1HG MET 45 -4.717 -11.902 -8.193 361 1HE MET 45 1HE MET 45 -4.260 -12.943 -10.787 362 2HE MET 45 2HE MET 45 -4.322 -11.558 -11.875 363 3HE MET 45 3HE MET 45 -5.416 -11.637 -10.497 364 H TRP 46 H TRP 46 -3.677 -9.164 -4.734 365 HA TRP 46 HA TRP 46 -1.216 -8.925 -3.380 366 1HB TRP 46 2HB TRP 46 -2.771 -7.095 -3.718 367 2HB TRP 46 1HB TRP 46 -3.997 -7.876 -2.730 368 HD1 TRP 46 HD TRP 46 -4.135 -6.787 -0.435 369 HE1 TRP 46 1HE TRP 46 -2.459 -5.741 1.223 370 HE3 TRP 46 3HE TRP 46 0.174 -7.340 -3.091 371 HZ2 TRP 46 2HZ TRP 46 0.352 -5.212 1.389 372 HZ3 TRP 46 3HZ TRP 46 2.340 -6.556 -2.170 373 HH2 TRP 46 HH TRP 46 2.424 -5.497 0.063 374 H SER 47 H SER 47 -4.306 -10.213 -2.080 375 HA SER 47 HA SER 47 -3.274 -10.888 0.523 376 1HB SER 47 2HB SER 47 -5.688 -10.606 -0.287 377 2HB SER 47 1HB SER 47 -5.543 -12.219 -0.980 378 HG SER 47 HG SER 47 -5.043 -12.983 1.111 379 H GLU 48 H GLU 48 -2.666 -12.293 -2.546 380 HA GLU 48 HA GLU 48 -1.988 -14.939 -1.370 381 1HB GLU 48 2HB GLU 48 -2.682 -13.872 -4.106 382 2HB GLU 48 1HB GLU 48 -1.885 -15.434 -3.924 383 1HG GLU 48 2HG GLU 48 -4.380 -14.763 -2.366 384 2HG GLU 48 1HG GLU 48 -4.468 -15.425 -3.999 385 H GLN 49 H GLN 49 -0.584 -11.975 -2.451 386 HA GLN 49 HA GLN 49 1.838 -12.879 -3.647 387 1HB GLN 49 2HB GLN 49 1.151 -10.472 -1.924 388 2HB GLN 49 1HB GLN 49 2.670 -10.635 -2.801 389 1HG GLN 49 2HG GLN 49 -0.097 -10.601 -4.035 390 2HG GLN 49 1HG GLN 49 1.073 -9.292 -4.096 391 1HE2 GLN 49 1HE2 GLN 49 -0.151 -11.237 -6.232 392 2HE2 GLN 49 2HE2 GLN 49 1.213 -11.756 -7.098 393 H SER 50 H SER 50 3.815 -13.461 -2.715 394 HA SER 50 HA SER 50 3.727 -14.353 0.110 395 1HB SER 50 2HB SER 50 5.701 -15.623 -0.552 396 2HB SER 50 1HB SER 50 4.492 -15.793 -1.822 397 HG SER 50 HG SER 50 6.523 -15.276 -2.695 398 H ALA 51 H ALA 51 6.665 -14.095 0.386 399 HA ALA 51 HA ALA 51 6.751 -11.351 1.381 400 1HB ALA 51 1HB ALA 51 7.859 -13.027 2.650 401 2HB ALA 51 2HB ALA 51 9.169 -12.139 1.874 402 3HB ALA 51 3HB ALA 51 8.655 -13.696 1.226 403 H LYS 52 H LYS 52 7.261 -12.655 -1.720 404 HA LYS 52 HA LYS 52 9.530 -11.003 -2.528 405 1HB LYS 52 2HB LYS 52 8.409 -13.260 -3.451 406 2HB LYS 52 1HB LYS 52 7.531 -12.108 -4.458 407 1HG LYS 52 2HG LYS 52 9.532 -11.256 -5.416 408 2HG LYS 52 1HG LYS 52 10.538 -12.013 -4.180 409 1HD LYS 52 2HD LYS 52 10.805 -13.455 -6.013 410 2HD LYS 52 1HD LYS 52 9.537 -14.249 -5.078 411 1HE LYS 52 2HE LYS 52 8.659 -14.248 -7.279 412 2HE LYS 52 1HE LYS 52 7.906 -12.812 -6.555 413 1HZ LYS 52 1HZ LYS 52 10.440 -12.843 -8.111 414 2HZ LYS 52 2HZ LYS 52 9.738 -11.472 -7.393 415 3HZ LYS 52 3HZ LYS 52 8.948 -12.263 -8.673 416 H ASP 53 H ASP 53 5.989 -10.860 -2.909 417 HA ASP 53 HA ASP 53 6.257 -7.979 -3.719 418 1HB ASP 53 2HB ASP 53 4.835 -10.310 -4.846 419 2HB ASP 53 1HB ASP 53 3.849 -8.856 -4.712 420 H LYS 54 H LYS 54 6.131 -8.314 -1.101 421 HA LYS 54 HA LYS 54 3.582 -7.187 -0.298 422 1HB LYS 54 2HB LYS 54 3.575 -9.885 -0.615 423 2HB LYS 54 1HB LYS 54 4.063 -9.762 1.071 424 1HG LYS 54 2HG LYS 54 2.084 -8.095 1.298 425 2HG LYS 54 1HG LYS 54 1.549 -8.741 -0.245 426 1HD LYS 54 2HD LYS 54 0.419 -10.028 1.402 427 2HD LYS 54 1HD LYS 54 1.724 -11.054 0.809 428 1HE LYS 54 2HE LYS 54 1.961 -11.278 3.140 429 2HE LYS 54 1HE LYS 54 3.086 -9.948 2.798 430 1HZ LYS 54 1HZ LYS 54 1.299 -8.372 3.209 431 2HZ LYS 54 2HZ LYS 54 1.553 -9.348 4.577 432 3HZ LYS 54 3HZ LYS 54 0.227 -9.641 3.555 433 H GLN 55 H GLN 55 6.631 -8.722 0.697 434 HA GLN 55 HA GLN 55 6.587 -7.718 3.421 435 1HB GLN 55 2HB GLN 55 8.442 -9.100 1.559 436 2HB GLN 55 1HB GLN 55 9.198 -8.218 2.883 437 1HG GLN 55 2HG GLN 55 6.966 -10.238 3.234 438 2HG GLN 55 1HG GLN 55 8.677 -10.600 3.461 439 1HE2 GLN 55 1HE2 GLN 55 5.869 -9.244 4.975 440 2HE2 GLN 55 2HE2 GLN 55 6.632 -8.709 6.394 441 HA PRO 56 HA PRO 56 9.486 -4.315 1.750 442 1HB PRO 56 2HB PRO 56 9.811 -4.036 -0.949 443 2HB PRO 56 1HB PRO 56 10.848 -5.078 0.045 444 1HG PRO 56 2HG PRO 56 8.580 -5.806 -1.731 445 2HG PRO 56 1HG PRO 56 10.102 -6.659 -1.436 446 1HD PRO 56 2HD PRO 56 7.707 -7.363 -0.323 447 2HD PRO 56 1HD PRO 56 9.287 -7.740 0.396 448 H TYR 57 H TYR 57 6.390 -5.085 0.559 449 HA TYR 57 HA TYR 57 5.812 -2.413 -0.560 450 1HB TYR 57 2HB TYR 57 4.328 -5.022 -0.187 451 2HB TYR 57 1HB TYR 57 3.523 -3.576 -0.796 452 HD1 TYR 57 1HD TYR 57 6.628 -5.605 -1.389 453 HD2 TYR 57 2HD TYR 57 3.506 -3.202 -3.095 454 HE1 TYR 57 1HE TYR 57 7.515 -6.065 -3.657 455 HE2 TYR 57 2HE TYR 57 4.393 -3.661 -5.365 456 HH TYR 57 HH TYR 57 5.893 -5.742 -6.364 457 H GLU 58 H GLU 58 5.071 -4.361 2.323 458 HA GLU 58 HA GLU 58 3.236 -2.334 3.407 459 1HB GLU 58 2HB GLU 58 3.109 -3.942 5.283 460 2HB GLU 58 1HB GLU 58 2.903 -4.758 3.736 461 1HG GLU 58 2HG GLU 58 4.571 -6.148 4.355 462 2HG GLU 58 1HG GLU 58 5.672 -4.786 4.171 463 H GLN 59 H GLN 59 6.639 -3.135 3.632 464 HA GLN 59 HA GLN 59 7.149 -1.694 6.117 465 1HB GLN 59 2HB GLN 59 8.857 -2.743 3.840 466 2HB GLN 59 1HB GLN 59 9.538 -1.998 5.285 467 1HG GLN 59 2HG GLN 59 8.327 -3.686 6.675 468 2HG GLN 59 1HG GLN 59 7.788 -4.472 5.190 469 1HE2 GLN 59 1HE2 GLN 59 9.687 -5.084 3.635 470 2HE2 GLN 59 2HE2 GLN 59 11.105 -5.665 4.364 471 H LYS 60 H LYS 60 8.460 -1.015 2.851 472 HA LYS 60 HA LYS 60 9.198 1.638 3.189 473 1HB LYS 60 2HB LYS 60 9.572 0.135 1.225 474 2HB LYS 60 1HB LYS 60 7.901 0.418 0.735 475 1HG LYS 60 2HG LYS 60 8.669 2.972 1.014 476 2HG LYS 60 1HG LYS 60 10.241 2.263 0.642 477 1HD LYS 60 2HD LYS 60 9.151 1.136 -1.348 478 2HD LYS 60 1HD LYS 60 7.720 2.117 -1.028 479 1HE LYS 60 2HE LYS 60 8.774 4.101 -1.647 480 2HE LYS 60 1HE LYS 60 10.390 3.484 -1.248 481 1HZ LYS 60 1HZ LYS 60 10.019 3.517 -3.652 482 2HZ LYS 60 2HZ LYS 60 8.671 2.498 -3.465 483 3HZ LYS 60 3HZ LYS 60 10.227 1.933 -3.084 484 H ALA 61 H ALA 61 5.894 0.447 2.947 485 HA ALA 61 HA ALA 61 4.828 3.160 2.408 486 1HB ALA 61 1HB ALA 61 3.202 0.706 3.016 487 2HB ALA 61 2HB ALA 61 4.065 0.808 1.481 488 3HB ALA 61 3HB ALA 61 2.849 2.019 1.892 489 H ALA 62 H ALA 62 5.000 0.727 4.980 490 HA ALA 62 HA ALA 62 3.235 2.015 6.853 491 1HB ALA 62 1HB ALA 62 4.613 0.570 8.474 492 2HB ALA 62 2HB ALA 62 5.551 0.076 7.066 493 3HB ALA 62 3HB ALA 62 3.827 -0.284 7.147 494 H LYS 63 H LYS 63 6.691 2.352 6.155 495 HA LYS 63 HA LYS 63 7.206 4.134 8.423 496 1HB LYS 63 2HB LYS 63 8.653 2.583 6.524 497 2HB LYS 63 1HB LYS 63 9.164 4.253 6.292 498 1HG LYS 63 2HG LYS 63 10.616 3.603 7.981 499 2HG LYS 63 1HG LYS 63 9.281 4.244 8.940 500 1HD LYS 63 2HD LYS 63 8.416 2.060 9.374 501 2HD LYS 63 1HD LYS 63 9.456 1.330 8.150 502 1HE LYS 63 2HE LYS 63 10.784 2.829 10.377 503 2HE LYS 63 1HE LYS 63 10.125 1.219 10.728 504 1HZ LYS 63 1HZ LYS 63 12.365 1.009 9.880 505 2HZ LYS 63 2HZ LYS 63 11.965 1.916 8.499 506 3HZ LYS 63 3HZ LYS 63 11.270 0.385 8.745 507 H LEU 64 H LEU 64 7.427 4.636 4.878 508 HA LEU 64 HA LEU 64 7.620 7.427 4.811 509 1HB LEU 64 2HB LEU 64 6.409 5.335 3.021 510 2HB LEU 64 1HB LEU 64 6.314 7.037 2.564 511 HG LEU 64 HG LEU 64 8.904 5.661 3.321 512 1HD1 LEU 64 1HD1 LEU 64 7.603 4.856 1.179 513 2HD1 LEU 64 2HD1 LEU 64 9.328 5.205 1.073 514 3HD1 LEU 64 3HD1 LEU 64 8.151 6.391 0.506 515 1HD2 LEU 64 1HD2 LEU 64 9.759 7.687 1.958 516 2HD2 LEU 64 2HD2 LEU 64 9.133 8.009 3.575 517 3HD2 LEU 64 3HD2 LEU 64 8.134 8.342 2.160 518 H LYS 65 H LYS 65 4.783 5.473 5.484 519 HA LYS 65 HA LYS 65 2.843 7.627 5.108 520 1HB LYS 65 2HB LYS 65 2.332 5.211 4.863 521 2HB LYS 65 1HB LYS 65 2.702 4.967 6.571 522 1HG LYS 65 2HG LYS 65 0.896 6.559 7.173 523 2HG LYS 65 1HG LYS 65 0.505 6.741 5.462 524 1HD LYS 65 2HD LYS 65 -0.227 4.497 5.272 525 2HD LYS 65 1HD LYS 65 0.549 4.028 6.785 526 1HE LYS 65 2HE LYS 65 -1.042 5.675 7.948 527 2HE LYS 65 1HE LYS 65 -1.943 5.707 6.420 528 1HZ LYS 65 1HZ LYS 65 -1.224 3.276 7.973 529 2HZ LYS 65 2HZ LYS 65 -2.020 3.279 6.472 530 3HZ LYS 65 3HZ LYS 65 -2.777 3.945 7.841 531 H GLU 66 H GLU 66 4.352 6.003 7.910 532 HA GLU 66 HA GLU 66 3.117 7.417 10.021 533 1HB GLU 66 2HB GLU 66 4.752 5.431 10.012 534 2HB GLU 66 1HB GLU 66 6.039 6.635 9.933 535 1HG GLU 66 2HG GLU 66 5.823 6.309 12.239 536 2HG GLU 66 1HG GLU 66 4.792 7.715 11.969 537 H LYS 67 H LYS 67 5.785 8.398 7.915 538 HA LYS 67 HA LYS 67 6.261 10.886 9.446 539 1HB LYS 67 2HB LYS 67 7.980 9.326 8.290 540 2HB LYS 67 1HB LYS 67 7.444 10.077 6.786 541 1HG LYS 67 2HG LYS 67 8.218 12.202 7.421 542 2HG LYS 67 1HG LYS 67 8.249 11.782 9.134 543 1HD LYS 67 2HD LYS 67 10.057 10.065 8.515 544 2HD LYS 67 1HD LYS 67 10.161 10.905 6.967 545 1HE LYS 67 2HE LYS 67 11.780 12.057 8.210 546 2HE LYS 67 1HE LYS 67 10.347 13.056 8.530 547 1HZ LYS 67 1HZ LYS 67 9.891 11.717 10.491 548 2HZ LYS 67 2HZ LYS 67 11.437 12.413 10.599 549 3HZ LYS 67 3HZ LYS 67 11.266 10.771 10.196 550 H TYR 68 H TYR 68 4.359 9.816 6.744 551 HA TYR 68 HA TYR 68 4.195 12.346 5.321 552 1HB TYR 68 2HB TYR 68 3.215 9.607 5.177 553 2HB TYR 68 1HB TYR 68 1.927 10.735 4.829 554 HD1 TYR 68 1HD TYR 68 5.608 10.794 4.134 555 HD2 TYR 68 2HD TYR 68 1.628 10.901 2.522 556 HE1 TYR 68 1HE TYR 68 6.540 11.140 1.860 557 HE2 TYR 68 2HE TYR 68 2.561 11.247 0.248 558 HH TYR 68 HH TYR 68 5.407 12.325 -0.428 559 H GLU 69 H GLU 69 2.124 10.616 7.612 560 HA GLU 69 HA GLU 69 -0.058 12.430 7.741 561 1HB GLU 69 2HB GLU 69 1.151 10.655 9.894 562 2HB GLU 69 1HB GLU 69 -0.495 11.290 9.898 563 1HG GLU 69 2HG GLU 69 -0.644 10.155 7.532 564 2HG GLU 69 1HG GLU 69 0.719 9.199 8.113 565 H LYS 70 H LYS 70 2.862 12.218 9.769 566 HA LYS 70 HA LYS 70 2.387 14.493 11.436 567 1HB LYS 70 2HB LYS 70 4.268 12.544 11.212 568 2HB LYS 70 1HB LYS 70 5.153 13.895 10.502 569 1HG LYS 70 2HG LYS 70 5.666 14.112 12.768 570 2HG LYS 70 1HG LYS 70 4.300 15.212 12.590 571 1HD LYS 70 2HD LYS 70 3.570 14.014 14.424 572 2HD LYS 70 1HD LYS 70 2.920 12.995 13.139 573 1HE LYS 70 2HE LYS 70 4.052 11.460 14.557 574 2HE LYS 70 1HE LYS 70 5.231 11.771 13.266 575 1HZ LYS 70 1HZ LYS 70 5.074 13.236 15.849 576 2HZ LYS 70 2HZ LYS 70 6.193 13.533 14.606 577 3HZ LYS 70 3HZ LYS 70 6.235 12.063 15.457 578 H ASP 71 H ASP 71 4.255 14.181 8.423 579 HA ASP 71 HA ASP 71 4.911 16.915 8.000 580 1HB ASP 71 2HB ASP 71 4.736 14.379 6.498 581 2HB ASP 71 1HB ASP 71 4.588 15.809 5.490 582 H ILE 72 H ILE 72 2.105 15.022 6.899 583 HA ILE 72 HA ILE 72 0.801 17.085 5.409 584 HB ILE 72 HB ILE 72 0.014 14.506 6.775 585 1HG1 ILE 72 2HG1 ILE 72 1.319 14.456 4.675 586 2HG1 ILE 72 1HG1 ILE 72 -0.282 13.752 4.460 587 1HG2 ILE 72 1HG2 ILE 72 -1.845 16.500 5.471 588 2HG2 ILE 72 2HG2 ILE 72 -2.065 15.612 6.979 589 3HG2 ILE 72 3HG2 ILE 72 -2.199 14.772 5.433 590 1HD1 ILE 72 1HD1 ILE 72 0.688 16.473 3.555 591 2HD1 ILE 72 2HD1 ILE 72 -1.024 16.067 3.634 592 3HD1 ILE 72 3HD1 ILE 72 0.047 15.163 2.567 593 H ALA 73 H ALA 73 0.486 16.107 8.837 594 HA ALA 73 HA ALA 73 -1.602 17.940 9.535 595 1HB ALA 73 1HB ALA 73 -0.845 15.999 10.881 596 2HB ALA 73 2HB ALA 73 -0.813 17.481 11.836 597 3HB ALA 73 3HB ALA 73 0.687 16.816 11.189 598 H ALA 74 H ALA 74 1.882 18.352 9.208 599 HA ALA 74 HA ALA 74 1.838 21.053 10.419 600 1HB ALA 74 1HB ALA 74 3.679 19.441 10.801 601 2HB ALA 74 2HB ALA 74 4.268 20.900 10.003 602 3HB ALA 74 3HB ALA 74 4.015 19.424 9.070 603 H TYR 75 H TYR 75 1.520 19.622 7.283 604 HA TYR 75 HA TYR 75 2.171 22.209 5.927 605 1HB TYR 75 2HB TYR 75 2.908 19.604 5.414 606 2HB TYR 75 1HB TYR 75 1.542 19.810 4.320 607 HD1 TYR 75 1HD TYR 75 1.531 21.807 2.738 608 HD2 TYR 75 2HD TYR 75 5.009 20.600 4.951 609 HE1 TYR 75 1HE TYR 75 2.967 23.111 1.193 610 HE2 TYR 75 2HE TYR 75 6.445 21.904 3.406 611 HH TYR 75 HH TYR 75 6.091 22.697 0.799 612 H ARG 76 H ARG 76 -0.478 20.199 6.891 613 HA ARG 76 HA ARG 76 -2.323 21.465 4.920 614 1HB ARG 76 2HB ARG 76 -2.223 18.995 5.123 615 2HB ARG 76 1HB ARG 76 -2.617 19.126 6.836 616 1HG ARG 76 2HG ARG 76 -4.806 19.871 6.406 617 2HG ARG 76 1HG ARG 76 -4.415 20.339 4.752 618 1HD ARG 76 2HD ARG 76 -3.865 17.744 4.503 619 2HD ARG 76 1HD ARG 76 -5.014 17.620 5.850 620 HE ARG 76 HE ARG 76 -6.654 18.856 4.442 621 1HH1 ARG 76 1HH1 ARG 76 -5.960 16.279 3.015 622 2HH1 ARG 76 2HH1 ARG 76 -5.681 16.840 1.401 623 1HH2 ARG 76 1HH2 ARG 76 -5.368 20.167 2.330 624 2HH2 ARG 76 2HH2 ARG 76 -5.346 19.043 1.013 625 H ALA 77 H ALA 77 -1.427 21.451 8.294 626 HA ALA 77 HA ALA 77 -3.920 22.409 9.394 627 1HB ALA 77 1HB ALA 77 -2.377 23.017 11.312 628 2HB ALA 77 2HB ALA 77 -1.030 22.510 10.293 629 3HB ALA 77 3HB ALA 77 -2.254 21.340 10.782 630 H LYS 78 H LYS 78 -1.135 23.941 7.926 631 HA LYS 78 HA LYS 78 -1.513 26.632 8.763 632 1HB LYS 78 2HB LYS 78 0.235 25.228 7.211 633 2HB LYS 78 1HB LYS 78 -0.648 26.119 5.971 634 1HG LYS 78 2HG LYS 78 -0.053 28.217 6.894 635 2HG LYS 78 1HG LYS 78 0.435 27.496 8.427 636 1HD LYS 78 2HD LYS 78 1.873 26.525 6.017 637 2HD LYS 78 1HD LYS 78 2.204 28.188 6.500 638 1HE LYS 78 2HE LYS 78 2.382 27.048 8.924 639 2HE LYS 78 1HE LYS 78 2.834 25.645 7.934 640 1HZ LYS 78 1HZ LYS 78 4.458 26.970 6.788 641 2HZ LYS 78 2HZ LYS 78 4.746 27.092 8.459 642 3HZ LYS 78 3HZ LYS 78 3.989 28.366 7.629 Start of MODEL 11 1 1H MET 1 1HT MET 1 -16.082 19.458 3.962 2 2H MET 1 2HT MET 1 -16.104 18.005 3.082 3 3H MET 1 3HT MET 1 -15.232 19.342 2.498 4 HA MET 1 HA MET 1 -13.718 19.200 4.404 5 1HB MET 1 2HB MET 1 -15.670 18.193 5.748 6 2HB MET 1 1HB MET 1 -15.224 16.650 5.018 7 1HG MET 1 2HG MET 1 -12.855 17.089 5.860 8 2HG MET 1 1HG MET 1 -13.537 18.409 6.811 9 1HE MET 1 1HE MET 1 -16.335 17.481 7.716 10 2HE MET 1 2HE MET 1 -15.076 18.271 8.664 11 3HE MET 1 3HE MET 1 -15.878 16.836 9.299 12 H LYS 2 H LYS 2 -12.138 18.817 2.845 13 HA LYS 2 HA LYS 2 -11.617 15.991 2.124 14 1HB LYS 2 2HB LYS 2 -11.520 16.596 -0.296 15 2HB LYS 2 1HB LYS 2 -13.134 16.809 0.379 16 1HG LYS 2 2HG LYS 2 -13.066 19.089 0.172 17 2HG LYS 2 1HG LYS 2 -11.342 19.175 0.533 18 1HD LYS 2 2HD LYS 2 -10.873 18.220 -1.736 19 2HD LYS 2 1HD LYS 2 -12.600 18.315 -2.088 20 1HE LYS 2 2HE LYS 2 -11.324 20.806 -1.053 21 2HE LYS 2 1HE LYS 2 -10.919 20.325 -2.713 22 1HZ LYS 2 1HZ LYS 2 -13.674 20.493 -1.608 23 2HZ LYS 2 2HZ LYS 2 -13.258 20.086 -3.203 24 3HZ LYS 2 3HZ LYS 2 -12.966 21.654 -2.620 25 H LYS 3 H LYS 3 -9.603 16.380 0.283 26 HA LYS 3 HA LYS 3 -7.532 17.766 1.917 27 1HB LYS 3 2HB LYS 3 -7.693 15.516 -0.032 28 2HB LYS 3 1HB LYS 3 -6.179 16.424 0.011 29 1HG LYS 3 2HG LYS 3 -5.926 14.654 1.600 30 2HG LYS 3 1HG LYS 3 -6.218 16.116 2.543 31 1HD LYS 3 2HD LYS 3 -8.623 15.525 2.690 32 2HD LYS 3 1HD LYS 3 -8.298 14.039 1.796 33 1HE LYS 3 2HE LYS 3 -7.095 13.080 3.570 34 2HE LYS 3 1HE LYS 3 -6.747 14.655 4.310 35 1HZ LYS 3 1HZ LYS 3 -8.531 13.566 5.504 36 2HZ LYS 3 2HZ LYS 3 -9.424 13.384 4.070 37 3HZ LYS 3 3HZ LYS 3 -9.133 14.934 4.702 38 H ASP 4 H ASP 4 -6.221 19.397 1.012 39 HA ASP 4 HA ASP 4 -7.300 20.705 -1.433 40 1HB ASP 4 2HB ASP 4 -5.773 21.451 1.013 41 2HB ASP 4 1HB ASP 4 -5.435 22.391 -0.440 42 HA PRO 5 HA PRO 5 -3.798 19.679 -3.904 43 1HB PRO 5 2HB PRO 5 -3.147 22.017 -5.168 44 2HB PRO 5 1HB PRO 5 -4.595 21.074 -5.570 45 1HG PRO 5 2HG PRO 5 -4.338 23.530 -3.914 46 2HG PRO 5 1HG PRO 5 -5.609 23.063 -5.053 47 1HD PRO 5 2HD PRO 5 -5.855 22.857 -2.341 48 2HD PRO 5 1HD PRO 5 -6.733 21.828 -3.492 49 H ASN 6 H ASN 6 -3.421 22.501 -1.819 50 HA ASN 6 HA ASN 6 -0.510 22.602 -1.974 51 1HB ASN 6 2HB ASN 6 -2.628 23.763 -0.145 52 2HB ASN 6 1HB ASN 6 -0.911 24.120 0.044 53 1HD2 ASN 6 1HD2 ASN 6 -3.763 24.933 -1.746 54 2HD2 ASN 6 2HD2 ASN 6 -3.024 25.986 -2.855 55 H ALA 7 H ALA 7 -2.886 21.006 0.085 56 HA ALA 7 HA ALA 7 -0.864 20.114 2.045 57 1HB ALA 7 1HB ALA 7 -3.694 19.120 1.819 58 2HB ALA 7 2HB ALA 7 -3.393 20.780 2.332 59 3HB ALA 7 3HB ALA 7 -2.744 19.436 3.270 60 HA PRO 8 HA PRO 8 -0.159 16.231 0.141 61 1HB PRO 8 2HB PRO 8 0.241 14.592 2.264 62 2HB PRO 8 1HB PRO 8 1.425 15.765 1.662 63 1HG PRO 8 2HG PRO 8 -0.221 15.858 4.065 64 2HG PRO 8 1HG PRO 8 1.264 16.692 3.631 65 1HD PRO 8 2HD PRO 8 -1.341 17.788 3.632 66 2HD PRO 8 1HD PRO 8 0.165 18.558 3.096 67 H LYS 9 H LYS 9 -0.879 13.770 0.340 68 HA LYS 9 HA LYS 9 -3.823 13.725 0.928 69 1HB LYS 9 2HB LYS 9 -2.164 12.405 -1.244 70 2HB LYS 9 1HB LYS 9 -3.883 12.099 -0.991 71 1HG LYS 9 2HG LYS 9 -4.493 14.282 -1.610 72 2HG LYS 9 1HG LYS 9 -2.871 14.914 -1.331 73 1HD LYS 9 2HD LYS 9 -2.082 13.449 -3.244 74 2HD LYS 9 1HD LYS 9 -3.778 13.117 -3.593 75 1HE LYS 9 2HE LYS 9 -3.311 14.958 -5.000 76 2HE LYS 9 1HE LYS 9 -4.013 15.742 -3.571 77 1HZ LYS 9 1HZ LYS 9 -1.886 16.752 -4.197 78 2HZ LYS 9 2HZ LYS 9 -1.113 15.251 -4.004 79 3HZ LYS 9 3HZ LYS 9 -1.806 16.033 -2.664 80 H ARG 10 H ARG 10 -4.558 11.314 1.164 81 HA ARG 10 HA ARG 10 -3.380 10.145 3.446 82 1HB ARG 10 2HB ARG 10 -4.799 8.198 2.837 83 2HB ARG 10 1HB ARG 10 -5.662 9.720 2.631 84 1HG ARG 10 2HG ARG 10 -5.138 9.682 0.209 85 2HG ARG 10 1HG ARG 10 -4.296 8.147 0.424 86 1HD ARG 10 2HD ARG 10 -6.450 7.470 -0.274 87 2HD ARG 10 1HD ARG 10 -6.569 7.359 1.493 88 HE ARG 10 HE ARG 10 -7.386 9.850 1.266 89 1HH1 ARG 10 1HH1 ARG 10 -9.405 7.572 0.922 90 2HH1 ARG 10 2HH1 ARG 10 -10.236 8.086 -0.507 91 1HH2 ARG 10 1HH2 ARG 10 -7.816 10.402 -1.403 92 2HH2 ARG 10 2HH2 ARG 10 -9.338 9.688 -1.824 93 HA PRO 11 HA PRO 11 0.192 8.203 1.610 94 1HB PRO 11 2HB PRO 11 0.930 6.627 3.720 95 2HB PRO 11 1HB PRO 11 1.216 8.377 3.679 96 1HG PRO 11 2HG PRO 11 -0.889 6.834 5.096 97 2HG PRO 11 1HG PRO 11 -0.012 8.285 5.607 98 1HD PRO 11 2HD PRO 11 -2.573 8.295 4.627 99 2HD PRO 11 1HD PRO 11 -1.469 9.685 4.555 100 HA PRO 12 HA PRO 12 -1.086 4.203 0.245 101 1HB PRO 12 2HB PRO 12 1.174 2.655 0.360 102 2HB PRO 12 1HB PRO 12 0.928 3.918 -0.863 103 1HG PRO 12 2HG PRO 12 2.510 4.008 1.661 104 2HG PRO 12 1HG PRO 12 2.898 4.667 0.062 105 1HD PRO 12 2HD PRO 12 1.979 6.201 2.096 106 2HD PRO 12 1HD PRO 12 1.637 6.560 0.389 107 H SER 13 H SER 13 -0.385 1.615 1.029 108 HA SER 13 HA SER 13 -0.213 1.231 3.884 109 1HB SER 13 2HB SER 13 -2.378 2.301 3.918 110 2HB SER 13 1HB SER 13 -2.950 1.303 2.586 111 HG SER 13 HG SER 13 -3.512 0.699 4.867 112 H ALA 14 H ALA 14 1.102 -0.131 1.846 113 HA ALA 14 HA ALA 14 1.644 -2.333 1.273 114 1HB ALA 14 1HB ALA 14 -0.753 -3.580 2.466 115 2HB ALA 14 2HB ALA 14 0.188 -2.612 3.600 116 3HB ALA 14 3HB ALA 14 0.952 -3.944 2.734 117 H PHE 15 H PHE 15 -1.951 -2.435 1.348 118 HA PHE 15 HA PHE 15 -2.202 -3.690 -1.196 119 1HB PHE 15 2HB PHE 15 -3.942 -3.572 0.564 120 2HB PHE 15 1HB PHE 15 -4.098 -1.838 0.290 121 HD1 PHE 15 1HD PHE 15 -3.830 -4.816 -1.991 122 HD2 PHE 15 2HD PHE 15 -6.076 -1.340 -0.836 123 HE1 PHE 15 1HE PHE 15 -5.434 -5.240 -3.833 124 HE2 PHE 15 2HE PHE 15 -7.681 -1.768 -2.677 125 HZ PHE 15 HZ PHE 15 -7.360 -3.716 -4.177 126 H PHE 16 H PHE 16 -1.615 -0.338 -0.363 127 HA PHE 16 HA PHE 16 -2.554 0.777 -2.884 128 1HB PHE 16 2HB PHE 16 -2.274 1.886 -0.567 129 2HB PHE 16 1HB PHE 16 -0.558 1.987 -0.959 130 HD1 PHE 16 1HD PHE 16 -3.845 3.402 -1.514 131 HD2 PHE 16 2HD PHE 16 0.158 3.210 -3.060 132 HE1 PHE 16 1HE PHE 16 -4.272 5.432 -2.874 133 HE2 PHE 16 2HE PHE 16 -0.269 5.239 -4.419 134 HZ PHE 16 HZ PHE 16 -2.485 6.350 -4.325 135 H LEU 17 H LEU 17 0.530 -0.448 -1.666 136 HA LEU 17 HA LEU 17 2.188 0.565 -3.817 137 1HB LEU 17 2HB LEU 17 2.317 -1.629 -1.752 138 2HB LEU 17 1HB LEU 17 3.536 -1.579 -3.022 139 HG LEU 17 HG LEU 17 4.301 -0.367 -1.012 140 1HD1 LEU 17 1HD1 LEU 17 5.144 1.515 -2.138 141 2HD1 LEU 17 2HD1 LEU 17 3.671 1.725 -3.084 142 3HD1 LEU 17 3HD1 LEU 17 4.772 0.399 -3.452 143 1HD2 LEU 17 1HD2 LEU 17 2.014 0.302 -0.239 144 2HD2 LEU 17 2HD2 LEU 17 1.960 1.491 -1.540 145 3HD2 LEU 17 3HD2 LEU 17 3.156 1.645 -0.253 146 H PHE 18 H PHE 18 1.390 -2.825 -3.244 147 HA PHE 18 HA PHE 18 1.696 -4.065 -5.648 148 1HB PHE 18 2HB PHE 18 0.848 -5.150 -3.650 149 2HB PHE 18 1HB PHE 18 -0.663 -4.247 -3.748 150 HD1 PHE 18 1HD PHE 18 -2.440 -4.946 -5.187 151 HD2 PHE 18 2HD PHE 18 1.387 -6.886 -5.383 152 HE1 PHE 18 1HE PHE 18 -3.422 -6.741 -6.583 153 HE2 PHE 18 2HE PHE 18 0.403 -8.683 -6.784 154 HZ PHE 18 HZ PHE 18 -2.007 -8.614 -7.381 155 H CYS 19 H CYS 19 -1.452 -2.418 -4.881 156 HA CYS 19 HA CYS 19 -2.516 -2.654 -7.517 157 1HB CYS 19 2HB CYS 19 -3.791 -2.142 -5.451 158 2HB CYS 19 1HB CYS 19 -2.996 -0.572 -5.359 159 HG CYS 19 HG CYS 19 -5.421 -1.128 -7.004 160 H SER 20 H SER 20 -0.692 -0.015 -5.966 161 HA SER 20 HA SER 20 -0.790 1.872 -8.088 162 1HB SER 20 2HB SER 20 -0.010 2.422 -5.858 163 2HB SER 20 1HB SER 20 1.314 1.268 -5.989 164 HG SER 20 HG SER 20 1.993 3.406 -6.430 165 H GLU 21 H GLU 21 1.313 -0.957 -7.633 166 HA GLU 21 HA GLU 21 2.958 -0.209 -9.971 167 1HB GLU 21 2HB GLU 21 4.246 -2.208 -9.308 168 2HB GLU 21 1HB GLU 21 3.965 -1.150 -7.928 169 1HG GLU 21 2HG GLU 21 2.351 -2.583 -6.997 170 2HG GLU 21 1HG GLU 21 2.066 -3.409 -8.525 171 H HIS 22 H HIS 22 0.263 -2.375 -9.223 172 HA HIS 22 HA HIS 22 0.582 -3.748 -11.848 173 1HB HIS 22 2HB HIS 22 -1.093 -4.191 -9.363 174 2HB HIS 22 1HB HIS 22 -1.281 -5.158 -10.826 175 HD1 HIS 22 1HD HIS 22 1.204 -6.160 -11.706 176 HD2 HIS 22 2HD HIS 22 0.742 -5.304 -7.653 177 HE1 HIS 22 1HE HIS 22 3.006 -7.459 -10.490 178 H ARG 23 H ARG 23 -0.557 -0.869 -11.229 179 HA ARG 23 HA ARG 23 -3.355 -1.116 -12.069 180 1HB ARG 23 2HB ARG 23 -2.619 0.566 -10.449 181 2HB ARG 23 1HB ARG 23 -1.523 1.263 -11.632 182 1HG ARG 23 2HG ARG 23 -3.255 2.159 -12.914 183 2HG ARG 23 1HG ARG 23 -4.435 0.999 -12.305 184 1HD ARG 23 2HD ARG 23 -4.955 3.102 -11.248 185 2HD ARG 23 1HD ARG 23 -4.135 2.127 -10.012 186 HE ARG 23 HE ARG 23 -1.999 3.319 -10.774 187 1HH1 ARG 23 1HH1 ARG 23 -3.358 4.844 -13.000 188 2HH1 ARG 23 2HH1 ARG 23 -3.599 6.394 -12.265 189 1HH2 ARG 23 1HH2 ARG 23 -3.077 5.239 -9.037 190 2HH2 ARG 23 2HH2 ARG 23 -3.441 6.617 -10.021 191 HA PRO 24 HA PRO 24 -1.626 0.739 -16.101 192 1HB PRO 24 2HB PRO 24 1.059 0.671 -16.581 193 2HB PRO 24 1HB PRO 24 0.259 2.033 -15.772 194 1HG PRO 24 2HG PRO 24 1.885 -0.157 -14.621 195 2HG PRO 24 1HG PRO 24 1.739 1.531 -14.115 196 1HD PRO 24 2HD PRO 24 0.501 -0.612 -12.893 197 2HD PRO 24 1HD PRO 24 0.000 1.082 -12.743 198 H LYS 25 H LYS 25 -0.652 -2.204 -14.661 199 HA LYS 25 HA LYS 25 0.192 -3.526 -17.158 200 1HB LYS 25 2HB LYS 25 1.111 -3.931 -14.819 201 2HB LYS 25 1HB LYS 25 -0.432 -4.694 -14.431 202 1HG LYS 25 2HG LYS 25 0.857 -6.527 -15.102 203 2HG LYS 25 1HG LYS 25 0.022 -6.099 -16.596 204 1HD LYS 25 2HD LYS 25 1.992 -4.733 -17.272 205 2HD LYS 25 1HD LYS 25 2.831 -5.269 -15.816 206 1HE LYS 25 2HE LYS 25 2.420 -7.668 -16.617 207 2HE LYS 25 1HE LYS 25 1.950 -6.955 -18.174 208 1HZ LYS 25 1HZ LYS 25 4.048 -5.749 -18.214 209 2HZ LYS 25 2HZ LYS 25 4.326 -7.423 -18.124 210 3HZ LYS 25 3HZ LYS 25 4.506 -6.453 -16.741 211 H ILE 26 H ILE 26 -2.597 -3.503 -14.949 212 HA ILE 26 HA ILE 26 -4.085 -5.578 -16.311 213 HB ILE 26 HB ILE 26 -4.929 -3.295 -14.487 214 1HG1 ILE 26 2HG1 ILE 26 -3.227 -4.797 -13.504 215 2HG1 ILE 26 1HG1 ILE 26 -4.783 -4.997 -12.705 216 1HG2 ILE 26 1HG2 ILE 26 -6.804 -5.014 -13.960 217 2HG2 ILE 26 2HG2 ILE 26 -6.368 -5.745 -15.505 218 3HG2 ILE 26 3HG2 ILE 26 -6.936 -4.076 -15.448 219 1HD1 ILE 26 1HD1 ILE 26 -3.889 -7.203 -13.110 220 2HD1 ILE 26 2HD1 ILE 26 -3.550 -6.814 -14.796 221 3HD1 ILE 26 3HD1 ILE 26 -5.218 -6.960 -14.243 222 H LYS 27 H LYS 27 -3.493 -2.239 -17.040 223 HA LYS 27 HA LYS 27 -5.944 -1.799 -18.581 224 1HB LYS 27 2HB LYS 27 -3.356 -0.365 -18.034 225 2HB LYS 27 1HB LYS 27 -4.445 0.227 -19.289 226 1HG LYS 27 2HG LYS 27 -6.295 0.275 -17.626 227 2HG LYS 27 1HG LYS 27 -5.152 -0.222 -16.377 228 1HD LYS 27 2HD LYS 27 -3.918 1.802 -16.550 229 2HD LYS 27 1HD LYS 27 -4.685 2.231 -18.080 230 1HE LYS 27 2HE LYS 27 -6.865 2.479 -16.906 231 2HE LYS 27 1HE LYS 27 -6.057 2.112 -15.368 232 1HZ LYS 27 1HZ LYS 27 -4.543 3.947 -15.752 233 2HZ LYS 27 2HZ LYS 27 -6.146 4.508 -15.773 234 3HZ LYS 27 3HZ LYS 27 -5.296 4.303 -17.229 235 H SER 28 H SER 28 -2.908 -3.342 -19.200 236 HA SER 28 HA SER 28 -2.750 -2.785 -22.053 237 1HB SER 28 2HB SER 28 -0.905 -3.475 -20.411 238 2HB SER 28 1HB SER 28 -1.563 -5.106 -20.511 239 HG SER 28 HG SER 28 -0.123 -3.636 -22.351 240 H GLU 29 H GLU 29 -3.610 -5.743 -20.209 241 HA GLU 29 HA GLU 29 -4.733 -7.014 -22.613 242 1HB GLU 29 2HB GLU 29 -4.439 -7.749 -19.692 243 2HB GLU 29 1HB GLU 29 -5.202 -8.820 -20.868 244 1HG GLU 29 2HG GLU 29 -3.056 -8.486 -22.273 245 2HG GLU 29 1HG GLU 29 -2.342 -7.862 -20.784 246 H HIS 30 H HIS 30 -5.973 -4.624 -20.729 247 HA HIS 30 HA HIS 30 -8.763 -5.467 -21.281 248 1HB HIS 30 2HB HIS 30 -7.804 -4.606 -18.529 249 2HB HIS 30 1HB HIS 30 -9.451 -5.045 -18.966 250 HD1 HIS 30 1HD HIS 30 -10.022 -7.535 -19.140 251 HD2 HIS 30 2HD HIS 30 -5.979 -6.833 -18.433 252 HE1 HIS 30 1HE HIS 30 -9.000 -9.778 -18.555 253 HA PRO 31 HA PRO 31 -7.838 -1.010 -22.138 254 1HB PRO 31 2HB PRO 31 -9.423 -0.882 -24.376 255 2HB PRO 31 1HB PRO 31 -7.726 -1.407 -24.415 256 1HG PRO 31 2HG PRO 31 -10.213 -3.063 -24.366 257 2HG PRO 31 1HG PRO 31 -8.748 -3.263 -25.344 258 1HD PRO 31 2HD PRO 31 -9.186 -4.750 -23.144 259 2HD PRO 31 1HD PRO 31 -7.553 -4.213 -23.604 260 H GLY 32 H GLY 32 -9.062 0.424 -20.982 261 1HA GLY 32 2HA GLY 32 -11.086 1.640 -20.506 262 2HA GLY 32 1HA GLY 32 -12.019 0.290 -21.152 263 H LEU 33 H LEU 33 -10.103 -1.498 -19.436 264 HA LEU 33 HA LEU 33 -11.832 -2.088 -17.304 265 1HB LEU 33 2HB LEU 33 -9.658 -3.199 -18.320 266 2HB LEU 33 1HB LEU 33 -8.857 -2.344 -17.007 267 HG LEU 33 HG LEU 33 -9.464 -4.631 -16.318 268 1HD1 LEU 33 1HD1 LEU 33 -10.189 -4.021 -14.216 269 2HD1 LEU 33 2HD1 LEU 33 -11.438 -2.947 -14.844 270 3HD1 LEU 33 3HD1 LEU 33 -9.755 -2.428 -14.838 271 1HD2 LEU 33 1HD2 LEU 33 -11.558 -4.544 -17.906 272 2HD2 LEU 33 2HD2 LEU 33 -12.373 -3.889 -16.485 273 3HD2 LEU 33 3HD2 LEU 33 -11.636 -5.490 -16.419 274 H SER 34 H SER 34 -12.551 -0.328 -16.090 275 HA SER 34 HA SER 34 -10.869 1.763 -15.033 276 1HB SER 34 2HB SER 34 -12.941 1.931 -13.451 277 2HB SER 34 1HB SER 34 -13.189 2.191 -15.175 278 HG SER 34 HG SER 34 -13.612 -0.203 -13.701 279 H ILE 35 H ILE 35 -10.904 1.987 -12.442 280 HA ILE 35 HA ILE 35 -9.245 -0.156 -11.410 281 HB ILE 35 HB ILE 35 -10.588 2.225 -10.085 282 1HG1 ILE 35 2HG1 ILE 35 -7.772 1.868 -11.167 283 2HG1 ILE 35 1HG1 ILE 35 -9.056 2.753 -11.990 284 1HG2 ILE 35 1HG2 ILE 35 -9.922 0.750 -8.334 285 2HG2 ILE 35 2HG2 ILE 35 -8.606 1.917 -8.475 286 3HG2 ILE 35 3HG2 ILE 35 -8.434 0.306 -9.172 287 1HD1 ILE 35 1HD1 ILE 35 -7.415 4.138 -10.574 288 2HD1 ILE 35 2HD1 ILE 35 -8.217 3.434 -9.172 289 3HD1 ILE 35 3HD1 ILE 35 -9.135 4.423 -10.307 290 H GLY 36 H GLY 36 -12.643 0.129 -11.664 291 1HA GLY 36 2HA GLY 36 -13.512 -1.023 -9.201 292 2HA GLY 36 1HA GLY 36 -14.400 -1.106 -10.724 293 H ASP 37 H ASP 37 -13.375 -2.715 -12.357 294 HA ASP 37 HA ASP 37 -13.389 -5.352 -11.217 295 1HB ASP 37 2HB ASP 37 -12.716 -4.095 -13.862 296 2HB ASP 37 1HB ASP 37 -12.397 -5.810 -13.619 297 H THR 38 H THR 38 -10.742 -3.245 -12.345 298 HA THR 38 HA THR 38 -8.567 -5.047 -12.025 299 HB THR 38 HB THR 38 -8.979 -2.060 -11.978 300 HG1 THR 38 1HG THR 38 -7.754 -2.269 -13.871 301 1HG2 THR 38 1HG2 THR 38 -7.088 -1.779 -10.744 302 2HG2 THR 38 2HG2 THR 38 -6.244 -2.301 -12.202 303 3HG2 THR 38 3HG2 THR 38 -6.609 -3.466 -10.929 304 H ALA 39 H ALA 39 -10.219 -2.974 -9.655 305 HA ALA 39 HA ALA 39 -8.411 -3.443 -7.452 306 1HB ALA 39 1HB ALA 39 -10.437 -2.649 -6.142 307 2HB ALA 39 2HB ALA 39 -11.335 -2.660 -7.660 308 3HB ALA 39 3HB ALA 39 -9.955 -1.579 -7.460 309 H LYS 40 H LYS 40 -11.172 -5.194 -8.764 310 HA LYS 40 HA LYS 40 -11.455 -7.012 -6.494 311 1HB LYS 40 2HB LYS 40 -12.514 -6.766 -9.304 312 2HB LYS 40 1HB LYS 40 -12.828 -8.228 -8.370 313 1HG LYS 40 2HG LYS 40 -13.673 -6.704 -6.508 314 2HG LYS 40 1HG LYS 40 -13.621 -5.391 -7.685 315 1HD LYS 40 2HD LYS 40 -15.287 -6.358 -9.030 316 2HD LYS 40 1HD LYS 40 -15.052 -7.961 -8.331 317 1HE LYS 40 2HE LYS 40 -17.101 -7.094 -7.391 318 2HE LYS 40 1HE LYS 40 -15.875 -6.958 -6.114 319 1HZ LYS 40 1HZ LYS 40 -15.429 -4.694 -6.819 320 2HZ LYS 40 2HZ LYS 40 -17.070 -4.864 -6.415 321 3HZ LYS 40 3HZ LYS 40 -16.595 -4.814 -8.045 322 H LYS 41 H LYS 41 -9.659 -6.961 -9.530 323 HA LYS 41 HA LYS 41 -8.866 -9.798 -9.319 324 1HB LYS 41 2HB LYS 41 -9.358 -8.421 -11.434 325 2HB LYS 41 1HB LYS 41 -7.796 -7.650 -11.160 326 1HG LYS 41 2HG LYS 41 -6.768 -9.960 -11.102 327 2HG LYS 41 1HG LYS 41 -8.327 -10.595 -11.630 328 1HD LYS 41 2HD LYS 41 -6.976 -8.371 -13.150 329 2HD LYS 41 1HD LYS 41 -6.549 -10.057 -13.448 330 1HE LYS 41 2HE LYS 41 -9.088 -10.470 -13.721 331 2HE LYS 41 1HE LYS 41 -9.223 -8.705 -13.860 332 1HZ LYS 41 1HZ LYS 41 -7.427 -10.445 -15.470 333 2HZ LYS 41 2HZ LYS 41 -7.514 -8.751 -15.577 334 3HZ LYS 41 3HZ LYS 41 -8.846 -9.703 -16.031 335 H LEU 42 H LEU 42 -7.638 -6.670 -8.373 336 HA LEU 42 HA LEU 42 -4.842 -7.516 -8.090 337 1HB LEU 42 2HB LEU 42 -6.521 -5.109 -7.827 338 2HB LEU 42 1HB LEU 42 -5.210 -5.186 -6.654 339 HG LEU 42 HG LEU 42 -3.593 -5.551 -8.480 340 1HD1 LEU 42 1HD1 LEU 42 -6.005 -6.056 -9.991 341 2HD1 LEU 42 2HD1 LEU 42 -4.330 -6.310 -10.471 342 3HD1 LEU 42 3HD1 LEU 42 -5.096 -4.749 -10.752 343 1HD2 LEU 42 1HD2 LEU 42 -3.546 -3.297 -9.193 344 2HD2 LEU 42 2HD2 LEU 42 -4.414 -3.253 -7.658 345 3HD2 LEU 42 3HD2 LEU 42 -5.304 -3.168 -9.178 346 H GLY 43 H GLY 43 -7.273 -6.347 -5.722 347 1HA GLY 43 2HA GLY 43 -5.946 -7.105 -3.369 348 2HA GLY 43 1HA GLY 43 -7.704 -7.030 -3.507 349 H GLU 44 H GLU 44 -7.669 -9.112 -5.662 350 HA GLU 44 HA GLU 44 -7.897 -11.467 -3.972 351 1HB GLU 44 2HB GLU 44 -9.197 -10.898 -6.091 352 2HB GLU 44 1HB GLU 44 -7.730 -11.266 -6.999 353 1HG GLU 44 2HG GLU 44 -7.783 -13.541 -6.409 354 2HG GLU 44 1HG GLU 44 -8.844 -13.254 -5.030 355 H MET 45 H MET 45 -5.534 -10.218 -6.315 356 HA MET 45 HA MET 45 -3.757 -12.533 -6.086 357 1HB MET 45 2HB MET 45 -3.739 -9.814 -7.390 358 2HB MET 45 1HB MET 45 -2.261 -10.774 -7.337 359 1HG MET 45 2HG MET 45 -3.294 -12.583 -8.536 360 2HG MET 45 1HG MET 45 -4.890 -11.848 -8.385 361 1HE MET 45 1HE MET 45 -1.624 -12.102 -10.397 362 2HE MET 45 2HE MET 45 -1.299 -10.804 -9.252 363 3HE MET 45 3HE MET 45 -1.373 -10.450 -10.975 364 H TRP 46 H TRP 46 -3.855 -9.185 -4.833 365 HA TRP 46 HA TRP 46 -1.350 -9.061 -3.512 366 1HB TRP 46 2HB TRP 46 -2.876 -7.174 -3.780 367 2HB TRP 46 1HB TRP 46 -4.082 -7.948 -2.763 368 HD1 TRP 46 HD TRP 46 -4.092 -6.899 -0.444 369 HE1 TRP 46 1HE TRP 46 -2.321 -5.947 1.169 370 HE3 TRP 46 3HE TRP 46 0.087 -7.556 -3.270 371 HZ2 TRP 46 2HZ TRP 46 0.510 -5.523 1.242 372 HZ3 TRP 46 3HZ TRP 46 2.314 -6.874 -2.415 373 HH2 TRP 46 HH TRP 46 2.525 -5.863 -0.167 374 H SER 47 H SER 47 -4.490 -10.236 -2.242 375 HA SER 47 HA SER 47 -3.536 -11.063 0.327 376 1HB SER 47 2HB SER 47 -5.898 -11.374 -1.404 377 2HB SER 47 1HB SER 47 -5.651 -12.725 -0.302 378 HG SER 47 HG SER 47 -6.090 -10.002 0.244 379 H GLU 48 H GLU 48 -2.884 -12.379 -2.792 380 HA GLU 48 HA GLU 48 -2.329 -15.088 -1.720 381 1HB GLU 48 2HB GLU 48 -2.868 -13.795 -4.367 382 2HB GLU 48 1HB GLU 48 -1.892 -15.264 -4.351 383 1HG GLU 48 2HG GLU 48 -4.517 -15.119 -2.871 384 2HG GLU 48 1HG GLU 48 -4.450 -15.546 -4.582 385 H GLN 49 H GLN 49 -0.729 -12.102 -2.465 386 HA GLN 49 HA GLN 49 1.777 -13.063 -3.447 387 1HB GLN 49 2HB GLN 49 1.063 -10.661 -1.722 388 2HB GLN 49 1HB GLN 49 2.572 -10.845 -2.612 389 1HG GLN 49 2HG GLN 49 -0.194 -10.767 -3.846 390 2HG GLN 49 1HG GLN 49 0.965 -9.444 -3.856 391 1HE2 GLN 49 1HE2 GLN 49 -0.099 -10.817 -6.243 392 2HE2 GLN 49 2HE2 GLN 49 1.231 -11.517 -7.031 393 H SER 50 H SER 50 3.584 -13.808 -2.346 394 HA SER 50 HA SER 50 3.196 -14.591 0.489 395 1HB SER 50 2HB SER 50 5.135 -16.053 -0.012 396 2HB SER 50 1HB SER 50 3.884 -16.239 -1.238 397 HG SER 50 HG SER 50 6.347 -15.696 -1.691 398 H ALA 51 H ALA 51 6.522 -14.322 -0.114 399 HA ALA 51 HA ALA 51 6.606 -11.712 1.335 400 1HB ALA 51 1HB ALA 51 7.651 -13.517 2.517 401 2HB ALA 51 2HB ALA 51 8.970 -12.572 1.827 402 3HB ALA 51 3HB ALA 51 8.474 -14.082 1.063 403 H LYS 52 H LYS 52 7.333 -13.194 -1.718 404 HA LYS 52 HA LYS 52 9.516 -11.496 -2.552 405 1HB LYS 52 2HB LYS 52 8.557 -13.754 -3.470 406 2HB LYS 52 1HB LYS 52 7.466 -12.719 -4.391 407 1HG LYS 52 2HG LYS 52 9.530 -11.459 -5.188 408 2HG LYS 52 1HG LYS 52 10.490 -12.761 -4.485 409 1HD LYS 52 2HD LYS 52 10.178 -13.333 -6.790 410 2HD LYS 52 1HD LYS 52 9.090 -14.374 -5.873 411 1HE LYS 52 2HE LYS 52 7.193 -12.918 -6.369 412 2HE LYS 52 1HE LYS 52 8.262 -11.762 -7.189 413 1HZ LYS 52 1HZ LYS 52 8.923 -13.493 -8.727 414 2HZ LYS 52 2HZ LYS 52 7.235 -13.304 -8.768 415 3HZ LYS 52 3HZ LYS 52 7.926 -14.618 -7.942 416 H ASP 53 H ASP 53 5.981 -11.343 -3.137 417 HA ASP 53 HA ASP 53 6.340 -8.489 -3.999 418 1HB ASP 53 2HB ASP 53 4.784 -10.809 -4.976 419 2HB ASP 53 1HB ASP 53 3.901 -9.283 -4.941 420 H LYS 54 H LYS 54 6.221 -8.610 -1.377 421 HA LYS 54 HA LYS 54 3.712 -7.371 -0.651 422 1HB LYS 54 2HB LYS 54 3.642 -10.084 -0.743 423 2HB LYS 54 1HB LYS 54 4.135 -9.831 0.924 424 1HG LYS 54 2HG LYS 54 2.194 -8.112 1.024 425 2HG LYS 54 1HG LYS 54 1.632 -8.858 -0.466 426 1HD LYS 54 2HD LYS 54 0.512 -9.908 1.418 427 2HD LYS 54 1HD LYS 54 1.621 -11.064 0.683 428 1HE LYS 54 2HE LYS 54 3.207 -10.842 2.441 429 2HE LYS 54 1HE LYS 54 2.459 -9.343 3.029 430 1HZ LYS 54 1HZ LYS 54 1.274 -12.066 3.062 431 2HZ LYS 54 2HZ LYS 54 0.402 -10.652 3.415 432 3HZ LYS 54 3HZ LYS 54 1.700 -11.123 4.405 433 H GLN 55 H GLN 55 6.794 -8.787 0.374 434 HA GLN 55 HA GLN 55 6.776 -7.660 3.046 435 1HB GLN 55 2HB GLN 55 8.662 -9.052 1.202 436 2HB GLN 55 1HB GLN 55 9.366 -8.158 2.549 437 1HG GLN 55 2HG GLN 55 7.135 -10.183 2.868 438 2HG GLN 55 1HG GLN 55 8.843 -10.573 3.071 439 1HE2 GLN 55 1HE2 GLN 55 6.123 -9.641 4.803 440 2HE2 GLN 55 2HE2 GLN 55 6.890 -8.949 6.149 441 HA PRO 56 HA PRO 56 9.687 -4.343 1.194 442 1HB PRO 56 2HB PRO 56 9.855 -4.100 -1.527 443 2HB PRO 56 1HB PRO 56 10.939 -5.136 -0.576 444 1HG PRO 56 2HG PRO 56 8.535 -5.875 -2.172 445 2HG PRO 56 1HG PRO 56 10.085 -6.717 -2.011 446 1HD PRO 56 2HD PRO 56 7.840 -7.473 -0.699 447 2HD PRO 56 1HD PRO 56 9.474 -7.742 -0.053 448 H TYR 57 H TYR 57 6.533 -5.076 0.029 449 HA TYR 57 HA TYR 57 5.969 -2.363 -0.977 450 1HB TYR 57 2HB TYR 57 4.414 -4.927 -0.580 451 2HB TYR 57 1HB TYR 57 3.633 -3.440 -1.123 452 HD1 TYR 57 1HD TYR 57 4.745 -6.379 -2.375 453 HD2 TYR 57 2HD TYR 57 5.437 -2.176 -2.935 454 HE1 TYR 57 1HE TYR 57 5.529 -6.814 -4.688 455 HE2 TYR 57 2HE TYR 57 6.222 -2.613 -5.246 456 HH TYR 57 HH TYR 57 7.323 -4.944 -6.400 457 H GLU 58 H GLU 58 5.239 -4.341 1.895 458 HA GLU 58 HA GLU 58 3.496 -2.357 3.112 459 1HB GLU 58 2HB GLU 58 3.769 -3.844 5.107 460 2HB GLU 58 1HB GLU 58 3.327 -4.725 3.649 461 1HG GLU 58 2HG GLU 58 5.301 -5.854 3.581 462 2HG GLU 58 1HG GLU 58 6.233 -4.433 4.048 463 H GLN 59 H GLN 59 6.967 -2.860 3.014 464 HA GLN 59 HA GLN 59 7.595 -1.254 5.361 465 1HB GLN 59 2HB GLN 59 9.168 -2.174 2.927 466 2HB GLN 59 1HB GLN 59 9.896 -1.393 4.328 467 1HG GLN 59 2HG GLN 59 8.374 -4.017 4.326 468 2HG GLN 59 1HG GLN 59 10.112 -3.824 4.533 469 1HE2 GLN 59 1HE2 GLN 59 9.832 -1.418 6.294 470 2HE2 GLN 59 2HE2 GLN 59 9.244 -1.994 7.774 471 H LYS 60 H LYS 60 8.313 -0.647 1.902 472 HA LYS 60 HA LYS 60 8.890 2.061 1.946 473 1HB LYS 60 2HB LYS 60 8.830 0.355 0.033 474 2HB LYS 60 1HB LYS 60 7.124 0.768 -0.142 475 1HG LYS 60 2HG LYS 60 7.863 3.204 -0.305 476 2HG LYS 60 1HG LYS 60 9.512 2.597 -0.460 477 1HD LYS 60 2HD LYS 60 8.789 1.222 -2.411 478 2HD LYS 60 1HD LYS 60 7.182 1.940 -2.286 479 1HE LYS 60 2HE LYS 60 9.599 3.731 -2.487 480 2HE LYS 60 1HE LYS 60 8.889 3.019 -3.950 481 1HZ LYS 60 1HZ LYS 60 7.412 4.550 -1.874 482 2HZ LYS 60 2HZ LYS 60 6.721 3.837 -3.253 483 3HZ LYS 60 3HZ LYS 60 7.818 5.123 -3.417 484 H ALA 61 H ALA 61 5.693 0.610 2.314 485 HA ALA 61 HA ALA 61 4.291 3.190 2.009 486 1HB ALA 61 1HB ALA 61 3.091 0.691 3.162 487 2HB ALA 61 2HB ALA 61 3.556 0.698 1.461 488 3HB ALA 61 3HB ALA 61 2.371 1.862 2.057 489 H ALA 62 H ALA 62 5.288 0.934 4.566 490 HA ALA 62 HA ALA 62 3.988 2.104 6.805 491 1HB ALA 62 1HB ALA 62 5.884 1.044 8.056 492 2HB ALA 62 2HB ALA 62 6.715 0.793 6.521 493 3HB ALA 62 3HB ALA 62 5.190 -0.033 6.844 494 H LYS 63 H LYS 63 7.341 2.744 5.641 495 HA LYS 63 HA LYS 63 7.806 4.978 7.389 496 1HB LYS 63 2HB LYS 63 9.398 3.461 5.983 497 2HB LYS 63 1HB LYS 63 9.059 4.589 4.670 498 1HG LYS 63 2HG LYS 63 10.858 5.690 5.576 499 2HG LYS 63 1HG LYS 63 9.605 6.363 6.621 500 1HD LYS 63 2HD LYS 63 10.040 4.452 8.219 501 2HD LYS 63 1HD LYS 63 11.432 4.023 7.225 502 1HE LYS 63 2HE LYS 63 12.377 5.420 8.886 503 2HE LYS 63 1HE LYS 63 12.103 6.547 7.542 504 1HZ LYS 63 1HZ LYS 63 9.958 7.110 8.470 505 2HZ LYS 63 2HZ LYS 63 11.167 7.387 9.631 506 3HZ LYS 63 3HZ LYS 63 10.178 6.010 9.743 507 H LEU 64 H LEU 64 5.906 4.663 4.514 508 HA LEU 64 HA LEU 64 6.086 7.490 3.715 509 1HB LEU 64 2HB LEU 64 4.813 4.955 2.818 510 2HB LEU 64 1HB LEU 64 3.955 6.436 2.393 511 HG LEU 64 HG LEU 64 6.907 6.016 1.864 512 1HD1 LEU 64 1HD1 LEU 64 5.179 4.463 0.649 513 2HD1 LEU 64 2HD1 LEU 64 6.413 5.286 -0.305 514 3HD1 LEU 64 3HD1 LEU 64 4.769 5.924 -0.250 515 1HD2 LEU 64 1HD2 LEU 64 4.846 8.070 1.023 516 2HD2 LEU 64 2HD2 LEU 64 6.407 7.903 0.220 517 3HD2 LEU 64 3HD2 LEU 64 6.336 8.345 1.925 518 H LYS 65 H LYS 65 3.876 5.327 5.440 519 HA LYS 65 HA LYS 65 1.692 7.155 5.780 520 1HB LYS 65 2HB LYS 65 1.593 4.704 6.116 521 2HB LYS 65 1HB LYS 65 2.685 4.848 7.493 522 1HG LYS 65 2HG LYS 65 0.956 6.455 8.499 523 2HG LYS 65 1HG LYS 65 -0.146 5.880 7.247 524 1HD LYS 65 2HD LYS 65 -0.123 3.666 8.077 525 2HD LYS 65 1HD LYS 65 1.333 3.949 9.032 526 1HE LYS 65 2HE LYS 65 -0.114 5.719 10.298 527 2HE LYS 65 1HE LYS 65 -1.491 4.845 9.598 528 1HZ LYS 65 1HZ LYS 65 0.728 3.651 11.175 529 2HZ LYS 65 2HZ LYS 65 -0.517 2.770 10.425 530 3HZ LYS 65 3HZ LYS 65 -0.875 3.842 11.694 531 H GLU 66 H GLU 66 4.280 6.196 8.043 532 HA GLU 66 HA GLU 66 3.783 8.019 10.139 533 1HB GLU 66 2HB GLU 66 6.289 6.765 9.001 534 2HB GLU 66 1HB GLU 66 6.330 7.747 10.465 535 1HG GLU 66 2HG GLU 66 4.751 6.267 11.568 536 2HG GLU 66 1HG GLU 66 4.528 5.340 10.083 537 H LYS 67 H LYS 67 5.340 8.565 7.025 538 HA LYS 67 HA LYS 67 6.540 11.125 7.633 539 1HB LYS 67 2HB LYS 67 7.065 9.554 5.720 540 2HB LYS 67 1HB LYS 67 5.540 10.042 4.980 541 1HG LYS 67 2HG LYS 67 7.178 11.453 3.990 542 2HG LYS 67 1HG LYS 67 6.389 12.456 5.209 543 1HD LYS 67 2HD LYS 67 8.196 12.113 6.769 544 2HD LYS 67 1HD LYS 67 8.936 10.899 5.723 545 1HE LYS 67 2HE LYS 67 9.663 12.500 4.161 546 2HE LYS 67 1HE LYS 67 8.475 13.703 4.703 547 1HZ LYS 67 1HZ LYS 67 10.737 12.660 6.326 548 2HZ LYS 67 2HZ LYS 67 9.593 13.807 6.839 549 3HZ LYS 67 3HZ LYS 67 10.683 14.188 5.592 550 H TYR 68 H TYR 68 3.332 10.089 6.632 551 HA TYR 68 HA TYR 68 2.301 12.664 5.818 552 1HB TYR 68 2HB TYR 68 1.397 10.342 5.342 553 2HB TYR 68 1HB TYR 68 0.835 10.285 7.009 554 HD1 TYR 68 1HD TYR 68 -1.462 10.618 7.134 555 HD2 TYR 68 2HD TYR 68 0.836 12.935 4.341 556 HE1 TYR 68 1HE TYR 68 -3.510 11.851 6.473 557 HE2 TYR 68 2HE TYR 68 -1.211 14.169 3.682 558 HH TYR 68 HH TYR 68 -4.208 13.167 4.201 559 H GLU 69 H GLU 69 2.472 10.931 8.892 560 HA GLU 69 HA GLU 69 0.793 12.563 10.499 561 1HB GLU 69 2HB GLU 69 3.360 11.077 11.154 562 2HB GLU 69 1HB GLU 69 2.188 11.633 12.350 563 1HG GLU 69 2HG GLU 69 0.507 10.294 10.754 564 2HG GLU 69 1HG GLU 69 1.980 9.394 10.388 565 H LYS 70 H LYS 70 4.246 12.930 9.665 566 HA LYS 70 HA LYS 70 4.546 15.373 11.269 567 1HB LYS 70 2HB LYS 70 6.203 13.696 9.391 568 2HB LYS 70 1HB LYS 70 6.770 15.300 9.854 569 1HG LYS 70 2HG LYS 70 7.720 14.024 11.543 570 2HG LYS 70 1HG LYS 70 6.180 14.448 12.293 571 1HD LYS 70 2HD LYS 70 5.209 12.318 11.566 572 2HD LYS 70 1HD LYS 70 6.715 11.893 10.749 573 1HE LYS 70 2HE LYS 70 6.976 10.786 12.802 574 2HE LYS 70 1HE LYS 70 7.765 12.337 13.151 575 1HZ LYS 70 1HZ LYS 70 5.667 13.191 13.976 576 2HZ LYS 70 2HZ LYS 70 6.101 11.793 14.837 577 3HZ LYS 70 3HZ LYS 70 4.899 11.716 13.640 578 H ASP 71 H ASP 71 4.066 14.447 7.900 579 HA ASP 71 HA ASP 71 4.426 17.028 6.682 580 1HB ASP 71 2HB ASP 71 3.309 14.363 6.056 581 2HB ASP 71 1HB ASP 71 2.586 15.677 5.135 582 H ILE 72 H ILE 72 1.468 15.283 7.664 583 HA ILE 72 HA ILE 72 -0.366 17.427 7.171 584 HB ILE 72 HB ILE 72 -0.318 14.929 8.879 585 1HG1 ILE 72 2HG1 ILE 72 -0.514 14.745 6.420 586 2HG1 ILE 72 1HG1 ILE 72 -1.968 14.172 7.232 587 1HG2 ILE 72 1HG2 ILE 72 -2.855 15.327 9.127 588 2HG2 ILE 72 2HG2 ILE 72 -2.508 17.016 8.757 589 3HG2 ILE 72 3HG2 ILE 72 -1.799 16.261 10.185 590 1HD1 ILE 72 1HD1 ILE 72 -1.758 16.215 5.248 591 2HD1 ILE 72 2HD1 ILE 72 -2.269 16.983 6.750 592 3HD1 ILE 72 3HD1 ILE 72 -3.209 15.653 6.076 593 H ALA 73 H ALA 73 1.622 16.594 9.989 594 HA ALA 73 HA ALA 73 0.496 18.290 11.958 595 1HB ALA 73 1HB ALA 73 2.249 16.609 12.347 596 2HB ALA 73 2HB ALA 73 2.784 18.182 12.938 597 3HB ALA 73 3HB ALA 73 3.392 17.563 11.402 598 H ALA 74 H ALA 74 3.028 19.054 9.546 599 HA ALA 74 HA ALA 74 3.385 21.802 10.347 600 1HB ALA 74 1HB ALA 74 3.920 20.260 7.791 601 2HB ALA 74 2HB ALA 74 5.066 20.599 9.087 602 3HB ALA 74 3HB ALA 74 4.480 21.910 8.063 603 H TYR 75 H TYR 75 0.938 20.199 8.476 604 HA TYR 75 HA TYR 75 -0.023 22.791 7.338 605 1HB TYR 75 2HB TYR 75 0.426 20.786 5.879 606 2HB TYR 75 1HB TYR 75 -0.852 19.933 6.744 607 HD1 TYR 75 1HD TYR 75 -3.157 20.340 6.270 608 HD2 TYR 75 2HD TYR 75 -0.126 22.890 4.609 609 HE1 TYR 75 1HE TYR 75 -4.852 21.400 4.801 610 HE2 TYR 75 2HE TYR 75 -1.821 23.951 3.142 611 HH TYR 75 HH TYR 75 -5.003 23.818 3.617 612 H ARG 76 H ARG 76 -0.546 20.702 9.956 613 HA ARG 76 HA ARG 76 -3.422 20.723 10.171 614 1HB ARG 76 2HB ARG 76 -1.688 19.260 11.355 615 2HB ARG 76 1HB ARG 76 -1.395 20.635 12.420 616 1HG ARG 76 2HG ARG 76 -3.568 20.563 13.319 617 2HG ARG 76 1HG ARG 76 -4.194 19.615 11.969 618 1HD ARG 76 2HD ARG 76 -2.795 17.683 12.706 619 2HD ARG 76 1HD ARG 76 -2.272 18.634 14.111 620 HE ARG 76 HE ARG 76 -5.191 18.288 13.634 621 1HH1 ARG 76 1HH2 ARG 76 -3.846 15.833 14.776 622 2HH1 ARG 76 2HH2 ARG 76 -4.020 16.101 16.479 623 1HH2 ARG 76 1HH1 ARG 76 -4.772 19.469 16.141 624 2HH2 ARG 76 2HH1 ARG 76 -4.544 18.160 17.252 625 H ALA 77 H ALA 77 -1.023 22.596 12.074 626 HA ALA 77 HA ALA 77 -3.111 24.592 12.741 627 1HB ALA 77 1HB ALA 77 -1.549 23.587 14.423 628 2HB ALA 77 2HB ALA 77 -1.427 25.344 14.348 629 3HB ALA 77 3HB ALA 77 -0.201 24.343 13.571 630 H LYS 78 H LYS 78 -3.021 25.143 10.261 631 HA LYS 78 HA LYS 78 -1.269 27.518 9.953 632 1HB LYS 78 2HB LYS 78 -0.165 25.348 9.102 633 2HB LYS 78 1HB LYS 78 -1.387 25.369 7.829 634 1HG LYS 78 2HG LYS 78 0.452 26.513 6.878 635 2HG LYS 78 1HG LYS 78 -0.632 27.801 7.405 636 1HD LYS 78 2HD LYS 78 1.472 28.488 8.220 637 2HD LYS 78 1HD LYS 78 0.710 27.737 9.623 638 1HE LYS 78 2HE LYS 78 1.871 25.546 8.784 639 2HE LYS 78 1HE LYS 78 2.916 26.657 7.876 640 1HZ LYS 78 1HZ LYS 78 3.332 27.886 9.911 641 2HZ LYS 78 2HZ LYS 78 3.785 26.261 10.108 642 3HZ LYS 78 3HZ LYS 78 2.335 26.830 10.786 Start of MODEL 12 1 1H MET 1 1HT MET 1 -11.824 20.973 0.262 2 2H MET 1 2HT MET 1 -13.446 21.305 -0.120 3 3H MET 1 3HT MET 1 -12.306 21.081 -1.360 4 HA MET 1 HA MET 1 -13.042 18.960 0.589 5 1HB MET 1 2HB MET 1 -14.459 18.131 -1.287 6 2HB MET 1 1HB MET 1 -14.984 19.715 -0.717 7 1HG MET 1 2HG MET 1 -13.886 20.817 -2.571 8 2HG MET 1 1HG MET 1 -13.131 19.308 -3.082 9 1HE MET 1 1HE MET 1 -14.229 19.663 -5.665 10 2HE MET 1 2HE MET 1 -14.511 21.196 -4.844 11 3HE MET 1 3HE MET 1 -15.819 20.434 -5.745 12 H LYS 2 H LYS 2 -12.365 16.822 -0.320 13 HA LYS 2 HA LYS 2 -10.670 15.406 -1.158 14 1HB LYS 2 2HB LYS 2 -11.937 16.390 -3.196 15 2HB LYS 2 1HB LYS 2 -10.509 17.399 -3.422 16 1HG LYS 2 2HG LYS 2 -9.104 15.533 -3.793 17 2HG LYS 2 1HG LYS 2 -10.277 14.407 -3.105 18 1HD LYS 2 2HD LYS 2 -11.705 14.565 -4.989 19 2HD LYS 2 1HD LYS 2 -10.905 16.023 -5.577 20 1HE LYS 2 2HE LYS 2 -9.027 14.833 -6.357 21 2HE LYS 2 1HE LYS 2 -9.368 13.436 -5.316 22 1HZ LYS 2 1HZ LYS 2 -11.082 14.377 -7.556 23 2HZ LYS 2 2HZ LYS 2 -11.405 13.046 -6.550 24 3HZ LYS 2 3HZ LYS 2 -10.071 13.016 -7.602 25 H LYS 3 H LYS 3 -9.512 16.792 0.768 26 HA LYS 3 HA LYS 3 -7.493 17.732 1.557 27 1HB LYS 3 2HB LYS 3 -6.980 15.985 -0.746 28 2HB LYS 3 1HB LYS 3 -5.700 17.172 -0.499 29 1HG LYS 3 2HG LYS 3 -4.981 15.466 0.908 30 2HG LYS 3 1HG LYS 3 -5.933 16.438 2.030 31 1HD LYS 3 2HD LYS 3 -7.364 14.329 0.475 32 2HD LYS 3 1HD LYS 3 -6.321 13.805 1.796 33 1HE LYS 3 2HE LYS 3 -8.318 16.031 2.221 34 2HE LYS 3 1HE LYS 3 -8.800 14.329 2.375 35 1HZ LYS 3 1HZ LYS 3 -7.989 15.168 4.489 36 2HZ LYS 3 2HZ LYS 3 -6.519 15.629 3.772 37 3HZ LYS 3 3HZ LYS 3 -6.935 13.985 3.886 38 H ASP 4 H ASP 4 -5.385 18.986 0.278 39 HA ASP 4 HA ASP 4 -6.527 21.084 -1.497 40 1HB ASP 4 2HB ASP 4 -5.758 21.307 1.359 41 2HB ASP 4 1HB ASP 4 -5.158 22.597 0.317 42 HA PRO 5 HA PRO 5 -2.462 21.106 -3.200 43 1HB PRO 5 2HB PRO 5 -1.880 23.751 -3.596 44 2HB PRO 5 1HB PRO 5 -3.057 22.862 -4.584 45 1HG PRO 5 2HG PRO 5 -3.520 24.736 -2.319 46 2HG PRO 5 1HG PRO 5 -4.424 24.545 -3.829 47 1HD PRO 5 2HD PRO 5 -5.261 23.530 -1.445 48 2HD PRO 5 1HD PRO 5 -5.676 22.810 -3.016 49 H ASN 6 H ASN 6 -2.960 23.196 -0.406 50 HA ASN 6 HA ASN 6 -0.120 23.529 0.207 51 1HB ASN 6 2HB ASN 6 -2.720 24.000 1.696 52 2HB ASN 6 1HB ASN 6 -1.142 24.435 2.354 53 1HD2 ASN 6 1HD2 ASN 6 -3.687 25.525 0.323 54 2HD2 ASN 6 2HD2 ASN 6 -2.885 26.861 -0.350 55 H ALA 7 H ALA 7 -2.680 21.272 1.071 56 HA ALA 7 HA ALA 7 -1.351 20.056 3.343 57 1HB ALA 7 1HB ALA 7 -3.768 19.931 2.936 58 2HB ALA 7 2HB ALA 7 -3.087 18.305 2.959 59 3HB ALA 7 3HB ALA 7 -3.487 19.072 1.422 60 HA PRO 8 HA PRO 8 1.386 17.418 1.165 61 1HB PRO 8 2HB PRO 8 1.767 15.452 3.002 62 2HB PRO 8 1HB PRO 8 2.506 17.061 3.076 63 1HG PRO 8 2HG PRO 8 0.385 15.936 4.710 64 2HG PRO 8 1HG PRO 8 1.407 17.350 4.938 65 1HD PRO 8 2HD PRO 8 -1.316 17.299 4.073 66 2HD PRO 8 1HD PRO 8 -0.273 18.704 4.372 67 H LYS 9 H LYS 9 1.698 14.980 0.587 68 HA LYS 9 HA LYS 9 -0.595 14.017 -0.811 69 1HB LYS 9 2HB LYS 9 2.024 12.802 0.083 70 2HB LYS 9 1HB LYS 9 0.866 11.897 -0.894 71 1HG LYS 9 2HG LYS 9 0.894 13.854 -2.523 72 2HG LYS 9 1HG LYS 9 2.276 14.474 -1.618 73 1HD LYS 9 2HD LYS 9 3.293 13.219 -3.325 74 2HD LYS 9 1HD LYS 9 3.276 12.094 -1.965 75 1HE LYS 9 2HE LYS 9 2.417 10.787 -3.740 76 2HE LYS 9 1HE LYS 9 0.942 11.368 -2.941 77 1HZ LYS 9 1HZ LYS 9 2.304 12.754 -5.189 78 2HZ LYS 9 2HZ LYS 9 0.843 13.215 -4.454 79 3HZ LYS 9 3HZ LYS 9 0.926 11.779 -5.358 80 H ARG 10 H ARG 10 -1.081 11.465 -0.355 81 HA ARG 10 HA ARG 10 -2.261 11.400 2.392 82 1HB ARG 10 2HB ARG 10 -2.868 9.872 -0.162 83 2HB ARG 10 1HB ARG 10 -3.784 9.739 1.339 84 1HG ARG 10 2HG ARG 10 -3.976 12.353 1.122 85 2HG ARG 10 1HG ARG 10 -3.618 12.045 -0.578 86 1HD ARG 10 2HD ARG 10 -5.662 10.233 0.548 87 2HD ARG 10 1HD ARG 10 -6.146 11.940 0.498 88 HE ARG 10 HE ARG 10 -5.912 11.909 -1.887 89 1HH1 ARG 10 1HH2 ARG 10 -3.380 10.320 -2.055 90 2HH1 ARG 10 2HH2 ARG 10 -3.923 8.846 -2.785 91 1HH2 ARG 10 1HH1 ARG 10 -7.272 9.433 -2.107 92 2HH2 ARG 10 2HH1 ARG 10 -6.126 8.344 -2.814 93 HA PRO 11 HA PRO 11 0.473 8.097 3.473 94 1HB PRO 11 2HB PRO 11 -1.026 6.776 5.341 95 2HB PRO 11 1HB PRO 11 -0.248 8.340 5.657 96 1HG PRO 11 2HG PRO 11 -3.084 7.739 4.997 97 2HG PRO 11 1HG PRO 11 -2.414 8.930 6.122 98 1HD PRO 11 2HD PRO 11 -3.350 9.554 3.633 99 2HD PRO 11 1HD PRO 11 -2.105 10.493 4.485 100 HA PRO 12 HA PRO 12 -1.377 5.028 0.689 101 1HB PRO 12 2HB PRO 12 0.939 3.670 0.146 102 2HB PRO 12 1HB PRO 12 0.486 5.180 -0.670 103 1HG PRO 12 2HG PRO 12 2.392 4.732 1.562 104 2HG PRO 12 1HG PRO 12 2.508 5.838 0.186 105 1HD PRO 12 2HD PRO 12 1.813 6.620 2.695 106 2HD PRO 12 1HD PRO 12 1.279 7.461 1.224 107 H SER 13 H SER 13 -0.901 2.478 0.607 108 HA SER 13 HA SER 13 -0.487 1.391 3.355 109 1HB SER 13 2HB SER 13 -2.905 1.875 2.952 110 2HB SER 13 1HB SER 13 -2.853 0.840 1.529 111 HG SER 13 HG SER 13 -3.571 -0.373 3.259 112 H ALA 14 H ALA 14 -0.339 -1.085 3.202 113 HA ALA 14 HA ALA 14 1.640 -1.938 1.380 114 1HB ALA 14 1HB ALA 14 0.650 -2.934 3.591 115 2HB ALA 14 2HB ALA 14 1.295 -4.039 2.376 116 3HB ALA 14 3HB ALA 14 -0.446 -3.793 2.509 117 H PHE 15 H PHE 15 -1.909 -2.299 1.146 118 HA PHE 15 HA PHE 15 -1.864 -3.799 -1.331 119 1HB PHE 15 2HB PHE 15 -3.715 -3.832 0.295 120 2HB PHE 15 1HB PHE 15 -4.002 -2.116 0.021 121 HD1 PHE 15 1HD PHE 15 -3.355 -5.020 -2.277 122 HD2 PHE 15 2HD PHE 15 -5.974 -1.797 -1.179 123 HE1 PHE 15 1HE PHE 15 -4.831 -5.566 -4.194 124 HE2 PHE 15 2HE PHE 15 -7.449 -2.342 -3.097 125 HZ PHE 15 HZ PHE 15 -6.876 -4.226 -4.605 126 H PHE 16 H PHE 16 -1.688 -0.377 -0.574 127 HA PHE 16 HA PHE 16 -2.600 0.596 -3.148 128 1HB PHE 16 2HB PHE 16 -2.317 1.720 -0.775 129 2HB PHE 16 1HB PHE 16 -0.692 2.077 -1.360 130 HD1 PHE 16 1HD PHE 16 -4.312 2.517 -2.094 131 HD2 PHE 16 2HD PHE 16 -0.303 3.765 -3.001 132 HE1 PHE 16 1HE PHE 16 -5.202 4.416 -3.418 133 HE2 PHE 16 2HE PHE 16 -1.194 5.663 -4.326 134 HZ PHE 16 HZ PHE 16 -3.643 5.989 -4.534 135 H LEU 17 H LEU 17 0.545 -0.403 -1.871 136 HA LEU 17 HA LEU 17 2.118 0.686 -4.064 137 1HB LEU 17 2HB LEU 17 2.509 -1.479 -1.980 138 2HB LEU 17 1HB LEU 17 3.731 -1.174 -3.205 139 HG LEU 17 HG LEU 17 4.392 0.073 -1.275 140 1HD1 LEU 17 1HD1 LEU 17 2.974 2.199 -2.871 141 2HD1 LEU 17 2HD1 LEU 17 4.334 1.307 -3.553 142 3HD1 LEU 17 3HD1 LEU 17 4.555 2.272 -2.092 143 1HD2 LEU 17 1HD2 LEU 17 2.191 -0.013 -0.139 144 2HD2 LEU 17 2HD2 LEU 17 1.607 1.261 -1.210 145 3HD2 LEU 17 3HD2 LEU 17 2.915 1.591 -0.080 146 H PHE 18 H PHE 18 1.530 -2.714 -3.288 147 HA PHE 18 HA PHE 18 2.010 -4.085 -5.590 148 1HB PHE 18 2HB PHE 18 1.127 -5.155 -3.607 149 2HB PHE 18 1HB PHE 18 -0.402 -4.289 -3.757 150 HD1 PHE 18 1HD PHE 18 -2.135 -5.063 -5.225 151 HD2 PHE 18 2HD PHE 18 1.733 -6.932 -5.264 152 HE1 PHE 18 1HE PHE 18 -3.043 -6.910 -6.608 153 HE2 PHE 18 2HE PHE 18 0.826 -8.778 -6.650 154 HZ PHE 18 HZ PHE 18 -1.565 -8.771 -7.320 155 H CYS 19 H CYS 19 -1.195 -2.470 -5.077 156 HA CYS 19 HA CYS 19 -2.125 -2.962 -7.745 157 1HB CYS 19 2HB CYS 19 -3.537 -2.436 -5.769 158 2HB CYS 19 1HB CYS 19 -2.860 -0.812 -5.736 159 HG CYS 19 HG CYS 19 -4.602 -0.188 -7.373 160 H SER 20 H SER 20 -0.471 -0.180 -6.268 161 HA SER 20 HA SER 20 -0.635 1.659 -8.416 162 1HB SER 20 2HB SER 20 0.198 2.186 -6.169 163 2HB SER 20 1HB SER 20 1.595 1.146 -6.421 164 HG SER 20 HG SER 20 0.968 3.639 -7.539 165 H GLU 21 H GLU 21 1.469 -1.163 -8.022 166 HA GLU 21 HA GLU 21 3.049 -0.400 -10.410 167 1HB GLU 21 2HB GLU 21 4.409 -2.358 -9.752 168 2HB GLU 21 1HB GLU 21 4.167 -1.260 -8.397 169 1HG GLU 21 2HG GLU 21 2.578 -2.682 -7.375 170 2HG GLU 21 1HG GLU 21 2.326 -3.605 -8.857 171 H HIS 22 H HIS 22 0.410 -2.559 -9.536 172 HA HIS 22 HA HIS 22 0.673 -4.005 -12.135 173 1HB HIS 22 2HB HIS 22 -0.860 -4.424 -9.561 174 2HB HIS 22 1HB HIS 22 -1.167 -5.393 -11.001 175 HD1 HIS 22 1HD HIS 22 1.247 -6.421 -12.054 176 HD2 HIS 22 2HD HIS 22 1.058 -5.565 -7.981 177 HE1 HIS 22 1HE HIS 22 3.107 -7.747 -10.957 178 H ARG 23 H ARG 23 -0.479 -1.132 -11.532 179 HA ARG 23 HA ARG 23 -3.304 -1.431 -12.259 180 1HB ARG 23 2HB ARG 23 -2.465 0.275 -10.678 181 2HB ARG 23 1HB ARG 23 -1.528 1.010 -11.975 182 1HG ARG 23 2HG ARG 23 -3.596 1.438 -13.243 183 2HG ARG 23 1HG ARG 23 -4.541 0.688 -11.956 184 1HD ARG 23 2HD ARG 23 -2.711 3.051 -11.448 185 2HD ARG 23 1HD ARG 23 -4.428 3.237 -11.857 186 HE ARG 23 HE ARG 23 -3.400 1.835 -9.428 187 1HH1 ARG 23 1HH2 ARG 23 -5.134 4.428 -9.694 188 2HH1 ARG 23 2HH2 ARG 23 -6.663 3.812 -9.159 189 1HH2 ARG 23 1HH1 ARG 23 -5.719 0.487 -9.439 190 2HH2 ARG 23 2HH1 ARG 23 -6.993 1.580 -9.014 191 HA PRO 24 HA PRO 24 -1.753 0.465 -16.347 192 1HB PRO 24 2HB PRO 24 0.908 0.358 -16.956 193 2HB PRO 24 1HB PRO 24 0.164 1.727 -16.108 194 1HG PRO 24 2HG PRO 24 1.808 -0.493 -15.039 195 2HG PRO 24 1HG PRO 24 1.714 1.197 -14.524 196 1HD PRO 24 2HD PRO 24 0.503 -0.922 -13.244 197 2HD PRO 24 1HD PRO 24 0.024 0.778 -13.078 198 H LYS 25 H LYS 25 -0.794 -2.511 -14.986 199 HA LYS 25 HA LYS 25 -0.095 -3.820 -17.538 200 1HB LYS 25 2HB LYS 25 0.932 -4.267 -15.246 201 2HB LYS 25 1HB LYS 25 -0.601 -5.018 -14.800 202 1HG LYS 25 2HG LYS 25 -0.341 -6.769 -16.338 203 2HG LYS 25 1HG LYS 25 0.820 -5.867 -17.313 204 1HD LYS 25 2HD LYS 25 2.286 -7.259 -16.204 205 2HD LYS 25 1HD LYS 25 2.217 -5.941 -15.035 206 1HE LYS 25 2HE LYS 25 0.471 -7.135 -13.763 207 2HE LYS 25 1HE LYS 25 0.514 -8.460 -14.944 208 1HZ LYS 25 1HZ LYS 25 2.795 -7.493 -13.301 209 2HZ LYS 25 2HZ LYS 25 2.904 -8.684 -14.508 210 3HZ LYS 25 3HZ LYS 25 1.982 -8.968 -13.110 211 H ILE 26 H ILE 26 -2.772 -3.758 -15.193 212 HA ILE 26 HA ILE 26 -4.358 -5.794 -16.509 213 HB ILE 26 HB ILE 26 -5.064 -3.549 -14.590 214 1HG1 ILE 26 2HG1 ILE 26 -3.333 -5.106 -13.752 215 2HG1 ILE 26 1HG1 ILE 26 -4.841 -5.299 -12.863 216 1HG2 ILE 26 1HG2 ILE 26 -6.900 -5.370 -14.024 217 2HG2 ILE 26 2HG2 ILE 26 -6.615 -5.871 -15.691 218 3HG2 ILE 26 3HG2 ILE 26 -7.158 -4.229 -15.344 219 1HD1 ILE 26 1HD1 ILE 26 -3.778 -7.081 -15.073 220 2HD1 ILE 26 2HD1 ILE 26 -5.409 -7.213 -14.415 221 3HD1 ILE 26 3HD1 ILE 26 -4.013 -7.509 -13.378 222 H LYS 27 H LYS 27 -3.787 -2.430 -17.163 223 HA LYS 27 HA LYS 27 -6.285 -1.978 -18.651 224 1HB LYS 27 2HB LYS 27 -3.711 -0.506 -18.102 225 2HB LYS 27 1HB LYS 27 -4.853 0.107 -19.297 226 1HG LYS 27 2HG LYS 27 -6.635 -0.191 -17.432 227 2HG LYS 27 1HG LYS 27 -5.256 -0.265 -16.335 228 1HD LYS 27 2HD LYS 27 -4.561 1.928 -16.868 229 2HD LYS 27 1HD LYS 27 -5.532 1.971 -18.341 230 1HE LYS 27 2HE LYS 27 -7.600 1.846 -16.897 231 2HE LYS 27 1HE LYS 27 -6.549 2.038 -15.480 232 1HZ LYS 27 1HZ LYS 27 -6.654 3.880 -17.811 233 2HZ LYS 27 2HZ LYS 27 -5.651 4.056 -16.451 234 3HZ LYS 27 3HZ LYS 27 -7.337 4.189 -16.289 235 H SER 28 H SER 28 -3.203 -3.424 -19.314 236 HA SER 28 HA SER 28 -3.083 -2.809 -22.161 237 1HB SER 28 2HB SER 28 -1.779 -4.894 -20.384 238 2HB SER 28 1HB SER 28 -1.334 -4.624 -22.066 239 HG SER 28 HG SER 28 0.012 -3.406 -20.758 240 H GLU 29 H GLU 29 -3.974 -5.713 -20.270 241 HA GLU 29 HA GLU 29 -5.032 -7.074 -22.664 242 1HB GLU 29 2HB GLU 29 -4.752 -7.699 -19.719 243 2HB GLU 29 1HB GLU 29 -5.584 -8.794 -20.825 244 1HG GLU 29 2HG GLU 29 -3.449 -8.595 -22.288 245 2HG GLU 29 1HG GLU 29 -2.685 -7.969 -20.827 246 H HIS 30 H HIS 30 -6.266 -4.596 -20.939 247 HA HIS 30 HA HIS 30 -9.059 -5.372 -21.504 248 1HB HIS 30 2HB HIS 30 -8.080 -4.545 -18.748 249 2HB HIS 30 1HB HIS 30 -9.758 -4.819 -19.191 250 HD1 HIS 30 1HD HIS 30 -10.550 -7.258 -19.458 251 HD2 HIS 30 2HD HIS 30 -6.501 -6.922 -18.544 252 HE1 HIS 30 1HE HIS 30 -9.763 -9.585 -18.839 253 HA PRO 31 HA PRO 31 -7.887 -0.969 -22.359 254 1HB PRO 31 2HB PRO 31 -9.324 -0.798 -24.699 255 2HB PRO 31 1HB PRO 31 -7.649 -1.384 -24.628 256 1HG PRO 31 2HG PRO 31 -10.193 -2.947 -24.730 257 2HG PRO 31 1HG PRO 31 -8.675 -3.211 -25.608 258 1HD PRO 31 2HD PRO 31 -9.314 -4.660 -23.428 259 2HD PRO 31 1HD PRO 31 -7.636 -4.193 -23.787 260 H GLY 32 H GLY 32 -9.124 0.171 -20.910 261 1HA GLY 32 2HA GLY 32 -11.173 1.578 -20.737 262 2HA GLY 32 1HA GLY 32 -12.087 0.187 -21.320 263 H LEU 33 H LEU 33 -10.211 -1.529 -19.538 264 HA LEU 33 HA LEU 33 -11.854 -2.163 -17.418 265 1HB LEU 33 2HB LEU 33 -9.503 -3.000 -18.312 266 2HB LEU 33 1HB LEU 33 -8.888 -2.030 -16.981 267 HG LEU 33 HG LEU 33 -9.224 -4.369 -16.291 268 1HD1 LEU 33 1HD1 LEU 33 -11.329 -2.593 -15.039 269 2HD1 LEU 33 2HD1 LEU 33 -9.603 -2.458 -14.700 270 3HD1 LEU 33 3HD1 LEU 33 -10.471 -3.935 -14.284 271 1HD2 LEU 33 1HD2 LEU 33 -11.305 -4.475 -17.963 272 2HD2 LEU 33 2HD2 LEU 33 -12.192 -4.071 -16.494 273 3HD2 LEU 33 3HD2 LEU 33 -11.205 -5.531 -16.554 274 H SER 34 H SER 34 -12.698 -0.952 -15.825 275 HA SER 34 HA SER 34 -11.488 1.589 -14.965 276 1HB SER 34 2HB SER 34 -13.585 1.581 -13.538 277 2HB SER 34 1HB SER 34 -13.872 1.418 -15.263 278 HG SER 34 HG SER 34 -13.631 -0.768 -13.474 279 H ILE 35 H ILE 35 -11.711 1.906 -12.413 280 HA ILE 35 HA ILE 35 -9.800 0.077 -11.167 281 HB ILE 35 HB ILE 35 -11.453 2.392 -10.084 282 1HG1 ILE 35 2HG1 ILE 35 -8.558 2.371 -10.983 283 2HG1 ILE 35 1HG1 ILE 35 -9.886 2.876 -12.028 284 1HG2 ILE 35 1HG2 ILE 35 -10.629 1.055 -8.249 285 2HG2 ILE 35 2HG2 ILE 35 -9.589 2.474 -8.377 286 3HG2 ILE 35 3HG2 ILE 35 -9.037 0.918 -8.998 287 1HD1 ILE 35 1HD1 ILE 35 -10.535 4.581 -10.337 288 2HD1 ILE 35 2HD1 ILE 35 -8.901 4.838 -10.947 289 3HD1 ILE 35 3HD1 ILE 35 -9.144 4.110 -9.359 290 H GLY 36 H GLY 36 -13.146 -0.109 -11.662 291 1HA GLY 36 2HA GLY 36 -13.707 -1.484 -9.097 292 2HA GLY 36 1HA GLY 36 -14.904 -1.061 -10.323 293 H ASP 37 H ASP 37 -11.856 -2.581 -11.089 294 HA ASP 37 HA ASP 37 -13.029 -5.274 -11.330 295 1HB ASP 37 2HB ASP 37 -12.419 -3.395 -13.579 296 2HB ASP 37 1HB ASP 37 -12.121 -5.113 -13.830 297 H THR 38 H THR 38 -10.240 -3.282 -12.447 298 HA THR 38 HA THR 38 -8.331 -5.428 -12.218 299 HB THR 38 HB THR 38 -8.122 -3.381 -13.643 300 HG1 THR 38 1HG THR 38 -6.060 -3.591 -11.715 301 1HG2 THR 38 1HG2 THR 38 -7.782 -1.245 -12.790 302 2HG2 THR 38 2HG2 THR 38 -7.274 -1.845 -11.212 303 3HG2 THR 38 3HG2 THR 38 -8.977 -1.894 -11.667 304 H ALA 39 H ALA 39 -9.486 -2.934 -10.015 305 HA ALA 39 HA ALA 39 -7.497 -3.359 -7.939 306 1HB ALA 39 1HB ALA 39 -10.323 -2.254 -7.787 307 2HB ALA 39 2HB ALA 39 -8.916 -1.311 -8.278 308 3HB ALA 39 3HB ALA 39 -9.020 -1.952 -6.638 309 H LYS 40 H LYS 40 -10.566 -4.798 -8.817 310 HA LYS 40 HA LYS 40 -10.977 -6.269 -6.330 311 1HB LYS 40 2HB LYS 40 -12.088 -6.323 -9.143 312 2HB LYS 40 1HB LYS 40 -12.578 -7.529 -7.953 313 1HG LYS 40 2HG LYS 40 -13.428 -5.830 -6.469 314 2HG LYS 40 1HG LYS 40 -12.743 -4.545 -7.464 315 1HD LYS 40 2HD LYS 40 -15.000 -4.576 -8.124 316 2HD LYS 40 1HD LYS 40 -14.210 -5.547 -9.367 317 1HE LYS 40 2HE LYS 40 -14.815 -7.614 -8.112 318 2HE LYS 40 1HE LYS 40 -15.679 -6.613 -6.927 319 1HZ LYS 40 1HZ LYS 40 -16.190 -6.622 -9.856 320 2HZ LYS 40 2HZ LYS 40 -17.027 -5.704 -8.697 321 3HZ LYS 40 3HZ LYS 40 -17.158 -7.399 -8.702 322 H LYS 41 H LYS 41 -9.667 -6.965 -9.555 323 HA LYS 41 HA LYS 41 -9.046 -9.753 -9.072 324 1HB LYS 41 2HB LYS 41 -9.244 -8.377 -11.265 325 2HB LYS 41 1HB LYS 41 -7.580 -7.886 -10.945 326 1HG LYS 41 2HG LYS 41 -6.962 -10.315 -10.784 327 2HG LYS 41 1HG LYS 41 -8.600 -10.717 -11.297 328 1HD LYS 41 2HD LYS 41 -6.882 -8.841 -12.916 329 2HD LYS 41 1HD LYS 41 -6.766 -10.590 -13.123 330 1HE LYS 41 2HE LYS 41 -9.287 -10.614 -13.472 331 2HE LYS 41 1HE LYS 41 -9.207 -8.842 -13.554 332 1HZ LYS 41 1HZ LYS 41 -7.532 -9.025 -15.282 333 2HZ LYS 41 2HZ LYS 41 -8.950 -9.833 -15.755 334 3HZ LYS 41 3HZ LYS 41 -7.605 -10.718 -15.213 335 H LEU 42 H LEU 42 -6.978 -6.829 -9.106 336 HA LEU 42 HA LEU 42 -4.510 -7.910 -8.325 337 1HB LEU 42 2HB LEU 42 -5.962 -5.342 -8.133 338 2HB LEU 42 1HB LEU 42 -4.611 -5.508 -7.016 339 HG LEU 42 HG LEU 42 -3.128 -6.102 -8.905 340 1HD1 LEU 42 1HD1 LEU 42 -3.851 -6.139 -11.146 341 2HD1 LEU 42 2HD1 LEU 42 -5.344 -5.280 -10.774 342 3HD1 LEU 42 3HD1 LEU 42 -5.155 -6.966 -10.297 343 1HD2 LEU 42 1HD2 LEU 42 -3.923 -3.656 -8.153 344 2HD2 LEU 42 2HD2 LEU 42 -4.475 -3.611 -9.826 345 3HD2 LEU 42 3HD2 LEU 42 -2.774 -3.903 -9.466 346 H GLY 43 H GLY 43 -7.132 -6.767 -6.162 347 1HA GLY 43 2HA GLY 43 -5.858 -7.260 -3.683 348 2HA GLY 43 1HA GLY 43 -7.609 -7.307 -3.920 349 H GLU 44 H GLU 44 -7.300 -9.480 -5.972 350 HA GLU 44 HA GLU 44 -7.472 -11.762 -4.170 351 1HB GLU 44 2HB GLU 44 -8.706 -11.332 -6.380 352 2HB GLU 44 1HB GLU 44 -7.194 -11.743 -7.191 353 1HG GLU 44 2HG GLU 44 -8.389 -13.787 -7.114 354 2HG GLU 44 1HG GLU 44 -7.238 -13.903 -5.782 355 H MET 45 H MET 45 -5.087 -10.476 -6.472 356 HA MET 45 HA MET 45 -3.205 -12.687 -6.095 357 1HB MET 45 2HB MET 45 -3.296 -10.027 -7.504 358 2HB MET 45 1HB MET 45 -1.757 -10.872 -7.343 359 1HG MET 45 2HG MET 45 -2.543 -12.760 -8.556 360 2HG MET 45 1HG MET 45 -4.224 -12.245 -8.416 361 1HE MET 45 1HE MET 45 -1.157 -12.171 -10.962 362 2HE MET 45 2HE MET 45 -0.800 -11.427 -9.407 363 3HE MET 45 3HE MET 45 -0.854 -10.432 -10.859 364 H TRP 46 H TRP 46 -3.629 -9.372 -4.872 365 HA TRP 46 HA TRP 46 -1.150 -9.049 -3.492 366 1HB TRP 46 2HB TRP 46 -2.716 -7.233 -3.844 367 2HB TRP 46 1HB TRP 46 -3.978 -8.062 -2.944 368 HD1 TRP 46 HD TRP 46 -4.233 -7.082 -0.598 369 HE1 TRP 46 1HE TRP 46 -2.639 -6.074 1.163 370 HE3 TRP 46 3HE TRP 46 0.168 -7.412 -3.130 371 HZ2 TRP 46 2HZ TRP 46 0.154 -5.491 1.448 372 HZ3 TRP 46 3HZ TRP 46 2.284 -6.626 -2.103 373 HH2 TRP 46 HH TRP 46 2.280 -5.672 0.177 374 H SER 47 H SER 47 -4.300 -10.207 -2.201 375 HA SER 47 HA SER 47 -3.299 -11.041 0.350 376 1HB SER 47 2HB SER 47 -5.701 -10.627 -0.515 377 2HB SER 47 1HB SER 47 -5.622 -12.269 -1.148 378 HG SER 47 HG SER 47 -5.338 -13.032 0.912 379 H GLU 48 H GLU 48 -2.796 -12.414 -2.772 380 HA GLU 48 HA GLU 48 -2.328 -15.137 -1.684 381 1HB GLU 48 2HB GLU 48 -2.860 -13.848 -4.332 382 2HB GLU 48 1HB GLU 48 -1.953 -15.359 -4.318 383 1HG GLU 48 2HG GLU 48 -4.537 -15.081 -2.789 384 2HG GLU 48 1HG GLU 48 -4.528 -15.519 -4.498 385 H GLN 49 H GLN 49 -0.609 -12.241 -2.359 386 HA GLN 49 HA GLN 49 1.857 -13.480 -3.298 387 1HB GLN 49 2HB GLN 49 0.713 -10.853 -2.860 388 2HB GLN 49 1HB GLN 49 2.307 -10.919 -2.122 389 1HG GLN 49 2HG GLN 49 2.418 -10.183 -4.483 390 2HG GLN 49 1HG GLN 49 3.281 -11.699 -4.235 391 1HE2 GLN 49 1HE2 GLN 49 0.245 -10.326 -5.530 392 2HE2 GLN 49 2HE2 GLN 49 -0.129 -11.660 -6.511 393 H SER 50 H SER 50 3.676 -13.935 -2.020 394 HA SER 50 HA SER 50 3.144 -14.260 0.885 395 1HB SER 50 2HB SER 50 5.068 -15.818 0.725 396 2HB SER 50 1HB SER 50 3.850 -16.193 -0.492 397 HG SER 50 HG SER 50 5.151 -15.479 -2.033 398 H ALA 51 H ALA 51 6.497 -14.037 -0.045 399 HA ALA 51 HA ALA 51 6.653 -11.390 1.332 400 1HB ALA 51 1HB ALA 51 9.111 -12.178 1.520 401 2HB ALA 51 2HB ALA 51 8.523 -13.736 0.937 402 3HB ALA 51 3HB ALA 51 7.911 -13.073 2.453 403 H LYS 52 H LYS 52 7.333 -13.070 -1.674 404 HA LYS 52 HA LYS 52 9.270 -11.418 -2.883 405 1HB LYS 52 2HB LYS 52 7.957 -13.594 -3.610 406 2HB LYS 52 1HB LYS 52 6.901 -12.437 -4.420 407 1HG LYS 52 2HG LYS 52 9.004 -11.429 -5.451 408 2HG LYS 52 1HG LYS 52 9.869 -12.841 -4.846 409 1HD LYS 52 2HD LYS 52 8.417 -14.330 -6.122 410 2HD LYS 52 1HD LYS 52 7.444 -12.961 -6.660 411 1HE LYS 52 2HE LYS 52 9.300 -12.046 -7.924 412 2HE LYS 52 1HE LYS 52 10.409 -13.258 -7.252 413 1HZ LYS 52 1HZ LYS 52 9.590 -13.964 -9.415 414 2HZ LYS 52 2HZ LYS 52 7.985 -13.832 -8.875 415 3HZ LYS 52 3HZ LYS 52 9.019 -14.999 -8.201 416 H ASP 53 H ASP 53 5.699 -11.039 -3.071 417 HA ASP 53 HA ASP 53 6.161 -8.151 -3.749 418 1HB ASP 53 2HB ASP 53 4.520 -10.305 -4.953 419 2HB ASP 53 1HB ASP 53 3.732 -8.734 -4.806 420 H LYS 54 H LYS 54 6.013 -8.441 -1.195 421 HA LYS 54 HA LYS 54 3.504 -7.256 -0.360 422 1HB LYS 54 2HB LYS 54 3.486 -9.969 -0.613 423 2HB LYS 54 1HB LYS 54 3.973 -9.793 1.065 424 1HG LYS 54 2HG LYS 54 2.003 -8.131 1.264 425 2HG LYS 54 1HG LYS 54 1.465 -8.781 -0.277 426 1HD LYS 54 2HD LYS 54 0.327 -10.182 1.159 427 2HD LYS 54 1HD LYS 54 1.822 -11.094 0.959 428 1HE LYS 54 2HE LYS 54 1.577 -11.050 3.305 429 2HE LYS 54 1HE LYS 54 2.643 -9.659 3.019 430 1HZ LYS 54 1HZ LYS 54 -0.325 -9.548 3.148 431 2HZ LYS 54 2HZ LYS 54 0.713 -8.227 2.894 432 3HZ LYS 54 3HZ LYS 54 0.723 -9.046 4.383 433 H GLN 55 H GLN 55 6.539 -8.835 0.594 434 HA GLN 55 HA GLN 55 6.604 -7.811 3.298 435 1HB GLN 55 2HB GLN 55 8.385 -9.197 1.370 436 2HB GLN 55 1HB GLN 55 9.199 -8.301 2.652 437 1HG GLN 55 2HG GLN 55 6.989 -10.325 3.120 438 2HG GLN 55 1HG GLN 55 8.711 -10.677 3.275 439 1HE2 GLN 55 1HE2 GLN 55 5.968 -9.200 4.853 440 2HE2 GLN 55 2HE2 GLN 55 6.788 -8.698 6.251 441 HA PRO 56 HA PRO 56 9.496 -4.423 1.580 442 1HB PRO 56 2HB PRO 56 9.777 -4.148 -1.126 443 2HB PRO 56 1HB PRO 56 10.826 -5.190 -0.145 444 1HG PRO 56 2HG PRO 56 8.513 -5.918 -1.867 445 2HG PRO 56 1HG PRO 56 10.047 -6.765 -1.619 446 1HD PRO 56 2HD PRO 56 7.707 -7.504 -0.439 447 2HD PRO 56 1HD PRO 56 9.306 -7.826 0.263 448 H TYR 57 H TYR 57 6.380 -5.159 0.385 449 HA TYR 57 HA TYR 57 5.805 -2.507 -0.746 450 1HB TYR 57 2HB TYR 57 4.269 -5.043 -0.169 451 2HB TYR 57 1HB TYR 57 3.462 -3.590 -0.767 452 HD1 TYR 57 1HD TYR 57 3.432 -3.137 -3.068 453 HD2 TYR 57 2HD TYR 57 6.363 -5.849 -1.497 454 HE1 TYR 57 1HE TYR 57 4.174 -3.664 -5.372 455 HE2 TYR 57 2HE TYR 57 7.108 -6.379 -3.801 456 HH TYR 57 HH TYR 57 6.659 -4.629 -6.324 457 H GLU 58 H GLU 58 4.910 -4.350 2.191 458 HA GLU 58 HA GLU 58 3.273 -2.258 3.328 459 1HB GLU 58 2HB GLU 58 3.551 -3.649 5.402 460 2HB GLU 58 1HB GLU 58 3.059 -4.587 3.996 461 1HG GLU 58 2HG GLU 58 4.933 -5.843 4.069 462 2HG GLU 58 1HG GLU 58 5.960 -4.414 4.174 463 H GLN 59 H GLN 59 6.731 -2.838 3.238 464 HA GLN 59 HA GLN 59 7.325 -0.980 5.444 465 1HB GLN 59 2HB GLN 59 9.030 -2.387 3.363 466 2HB GLN 59 1HB GLN 59 9.660 -1.514 4.758 467 1HG GLN 59 2HG GLN 59 8.395 -3.042 6.259 468 2HG GLN 59 1HG GLN 59 7.848 -3.945 4.846 469 1HE2 GLN 59 1HE2 GLN 59 9.166 -5.675 4.255 470 2HE2 GLN 59 2HE2 GLN 59 10.797 -5.849 4.693 471 H LYS 60 H LYS 60 6.577 -0.712 2.106 472 HA LYS 60 HA LYS 60 8.180 1.727 1.640 473 1HB LYS 60 2HB LYS 60 7.326 -0.311 0.059 474 2HB LYS 60 1HB LYS 60 6.016 0.842 -0.205 475 1HG LYS 60 2HG LYS 60 7.724 2.588 -0.743 476 2HG LYS 60 1HG LYS 60 8.977 1.354 -0.607 477 1HD LYS 60 2HD LYS 60 7.377 0.063 -2.308 478 2HD LYS 60 1HD LYS 60 6.889 1.709 -2.713 479 1HE LYS 60 2HE LYS 60 9.788 0.804 -2.626 480 2HE LYS 60 1HE LYS 60 8.817 0.869 -4.111 481 1HZ LYS 60 1HZ LYS 60 9.323 3.130 -2.246 482 2HZ LYS 60 2HZ LYS 60 8.310 3.197 -3.609 483 3HZ LYS 60 3HZ LYS 60 9.981 2.955 -3.800 484 H ALA 61 H ALA 61 4.856 0.711 2.262 485 HA ALA 61 HA ALA 61 3.777 3.441 2.031 486 1HB ALA 61 1HB ALA 61 2.152 1.353 3.320 487 2HB ALA 61 2HB ALA 61 2.814 0.850 1.765 488 3HB ALA 61 3HB ALA 61 1.810 2.296 1.870 489 H ALA 62 H ALA 62 4.795 1.165 4.508 490 HA ALA 62 HA ALA 62 3.679 2.351 6.837 491 1HB ALA 62 1HB ALA 62 5.774 1.283 7.892 492 2HB ALA 62 2HB ALA 62 6.228 0.828 6.250 493 3HB ALA 62 3HB ALA 62 4.733 0.211 6.956 494 H LYS 63 H LYS 63 7.007 2.861 5.522 495 HA LYS 63 HA LYS 63 7.628 5.062 7.255 496 1HB LYS 63 2HB LYS 63 9.155 3.543 5.875 497 2HB LYS 63 1HB LYS 63 8.717 4.530 4.480 498 1HG LYS 63 2HG LYS 63 9.488 6.555 5.743 499 2HG LYS 63 1HG LYS 63 10.059 5.486 7.024 500 1HD LYS 63 2HD LYS 63 11.424 4.283 5.239 501 2HD LYS 63 1HD LYS 63 11.029 5.624 4.162 502 1HE LYS 63 2HE LYS 63 13.045 6.383 5.072 503 2HE LYS 63 1HE LYS 63 11.893 7.077 6.231 504 1HZ LYS 63 1HZ LYS 63 13.126 4.387 6.500 505 2HZ LYS 63 2HZ LYS 63 12.128 5.168 7.633 506 3HZ LYS 63 3HZ LYS 63 13.682 5.771 7.307 507 H LEU 64 H LEU 64 5.572 4.881 4.480 508 HA LEU 64 HA LEU 64 5.865 7.715 3.724 509 1HB LEU 64 2HB LEU 64 4.294 5.302 2.855 510 2HB LEU 64 1HB LEU 64 3.755 6.900 2.339 511 HG LEU 64 HG LEU 64 6.590 5.901 1.971 512 1HD1 LEU 64 1HD1 LEU 64 6.051 5.259 -0.235 513 2HD1 LEU 64 2HD1 LEU 64 4.514 6.122 -0.206 514 3HD1 LEU 64 3HD1 LEU 64 4.707 4.631 0.718 515 1HD2 LEU 64 1HD2 LEU 64 6.498 7.785 0.224 516 2HD2 LEU 64 2HD2 LEU 64 6.524 8.284 1.915 517 3HD2 LEU 64 3HD2 LEU 64 5.006 8.296 1.016 518 H LYS 65 H LYS 65 3.653 5.617 5.514 519 HA LYS 65 HA LYS 65 1.574 7.583 5.953 520 1HB LYS 65 2HB LYS 65 1.307 5.119 6.135 521 2HB LYS 65 1HB LYS 65 2.397 5.111 7.522 522 1HG LYS 65 2HG LYS 65 0.837 6.053 8.928 523 2HG LYS 65 1HG LYS 65 0.070 6.971 7.633 524 1HD LYS 65 2HD LYS 65 -1.522 5.307 8.154 525 2HD LYS 65 1HD LYS 65 -0.698 4.670 6.730 526 1HE LYS 65 2HE LYS 65 -0.579 2.802 8.115 527 2HE LYS 65 1HE LYS 65 0.912 3.626 8.614 528 1HZ LYS 65 1HZ LYS 65 -0.469 3.101 10.535 529 2HZ LYS 65 2HZ LYS 65 -1.761 3.979 9.867 530 3HZ LYS 65 3HZ LYS 65 -0.336 4.779 10.332 531 H GLU 66 H GLU 66 4.213 6.344 8.023 532 HA GLU 66 HA GLU 66 3.855 8.023 10.274 533 1HB GLU 66 2HB GLU 66 5.459 6.021 9.745 534 2HB GLU 66 1HB GLU 66 6.569 7.276 9.195 535 1HG GLU 66 2HG GLU 66 7.159 7.082 11.446 536 2HG GLU 66 1HG GLU 66 5.996 8.407 11.495 537 H LYS 67 H LYS 67 5.435 8.678 7.177 538 HA LYS 67 HA LYS 67 6.688 11.174 7.908 539 1HB LYS 67 2HB LYS 67 7.077 9.613 5.896 540 2HB LYS 67 1HB LYS 67 5.657 10.374 5.177 541 1HG LYS 67 2HG LYS 67 7.450 11.664 4.350 542 2HG LYS 67 1HG LYS 67 6.847 12.615 5.708 543 1HD LYS 67 2HD LYS 67 9.163 12.590 6.090 544 2HD LYS 67 1HD LYS 67 8.589 11.271 7.112 545 1HE LYS 67 2HE LYS 67 10.383 10.262 5.965 546 2HE LYS 67 1HE LYS 67 9.000 9.806 4.949 547 1HZ LYS 67 1HZ LYS 67 9.374 11.782 3.609 548 2HZ LYS 67 2HZ LYS 67 10.764 10.805 3.618 549 3HZ LYS 67 3HZ LYS 67 10.705 12.212 4.569 550 H TYR 68 H TYR 68 3.425 10.277 6.993 551 HA TYR 68 HA TYR 68 2.457 12.895 6.221 552 1HB TYR 68 2HB TYR 68 1.473 10.572 5.801 553 2HB TYR 68 1HB TYR 68 0.929 10.594 7.474 554 HD1 TYR 68 1HD TYR 68 1.020 13.189 4.754 555 HD2 TYR 68 2HD TYR 68 -1.356 10.995 7.582 556 HE1 TYR 68 1HE TYR 68 -0.984 14.483 4.076 557 HE2 TYR 68 2HE TYR 68 -3.358 12.291 6.906 558 HH TYR 68 HH TYR 68 -3.735 14.668 5.838 559 H GLU 69 H GLU 69 2.688 11.129 9.269 560 HA GLU 69 HA GLU 69 1.115 12.796 10.950 561 1HB GLU 69 2HB GLU 69 3.655 11.231 11.525 562 2HB GLU 69 1HB GLU 69 2.499 11.775 12.742 563 1HG GLU 69 2HG GLU 69 0.780 10.497 11.145 564 2HG GLU 69 1HG GLU 69 2.233 9.595 10.715 565 H LYS 70 H LYS 70 4.550 13.043 10.017 566 HA LYS 70 HA LYS 70 4.980 15.464 11.628 567 1HB LYS 70 2HB LYS 70 6.567 13.849 9.616 568 2HB LYS 70 1HB LYS 70 7.203 15.327 10.340 569 1HG LYS 70 2HG LYS 70 6.913 14.367 12.586 570 2HG LYS 70 1HG LYS 70 6.246 12.895 11.879 571 1HD LYS 70 2HD LYS 70 8.441 12.734 10.551 572 2HD LYS 70 1HD LYS 70 9.067 13.955 11.660 573 1HE LYS 70 2HE LYS 70 8.617 12.505 13.580 574 2HE LYS 70 1HE LYS 70 7.872 11.293 12.518 575 1HZ LYS 70 1HZ LYS 70 10.210 10.782 12.921 576 2HZ LYS 70 2HZ LYS 70 10.663 12.298 12.303 577 3HZ LYS 70 3HZ LYS 70 9.944 11.143 11.286 578 H ASP 71 H ASP 71 4.338 14.575 8.284 579 HA ASP 71 HA ASP 71 4.813 17.147 7.066 580 1HB ASP 71 2HB ASP 71 3.565 14.539 6.442 581 2HB ASP 71 1HB ASP 71 2.888 15.895 5.546 582 H ILE 72 H ILE 72 1.818 15.519 8.126 583 HA ILE 72 HA ILE 72 0.083 17.776 7.698 584 HB ILE 72 HB ILE 72 -0.021 15.235 9.351 585 1HG1 ILE 72 2HG1 ILE 72 -0.092 15.026 6.893 586 2HG1 ILE 72 1HG1 ILE 72 -1.627 14.549 7.614 587 1HG2 ILE 72 1HG2 ILE 72 -1.508 16.637 10.569 588 2HG2 ILE 72 2HG2 ILE 72 -2.547 15.742 9.460 589 3HG2 ILE 72 3HG2 ILE 72 -2.108 17.412 9.102 590 1HD1 ILE 72 1HD1 ILE 72 -2.193 15.936 5.749 591 2HD1 ILE 72 2HD1 ILE 72 -0.975 17.132 6.180 592 3HD1 ILE 72 3HD1 ILE 72 -2.417 16.946 7.175 593 H ALA 73 H ALA 73 2.054 16.721 10.446 594 HA ALA 73 HA ALA 73 1.022 18.370 12.506 595 1HB ALA 73 1HB ALA 73 2.683 16.647 12.889 596 2HB ALA 73 2HB ALA 73 3.390 18.184 13.382 597 3HB ALA 73 3HB ALA 73 3.839 17.462 11.837 598 H ALA 74 H ALA 74 3.509 19.142 10.053 599 HA ALA 74 HA ALA 74 3.971 21.849 10.976 600 1HB ALA 74 1HB ALA 74 5.257 22.003 8.907 601 2HB ALA 74 2HB ALA 74 4.429 20.590 8.254 602 3HB ALA 74 3HB ALA 74 5.524 20.414 9.624 603 H TYR 75 H TYR 75 1.461 20.388 9.099 604 HA TYR 75 HA TYR 75 0.600 23.032 7.998 605 1HB TYR 75 2HB TYR 75 0.958 21.033 6.499 606 2HB TYR 75 1HB TYR 75 -0.351 20.221 7.360 607 HD1 TYR 75 1HD TYR 75 0.310 23.574 5.793 608 HD2 TYR 75 2HD TYR 75 -2.460 20.345 6.388 609 HE1 TYR 75 1HE TYR 75 -1.349 24.733 4.360 610 HE2 TYR 75 2HE TYR 75 -4.119 21.504 4.954 611 HH TYR 75 HH TYR 75 -4.041 23.227 3.080 612 H ARG 76 H ARG 76 0.019 20.904 10.569 613 HA ARG 76 HA ARG 76 -2.864 21.105 10.800 614 1HB ARG 76 2HB ARG 76 -0.877 19.604 11.908 615 2HB ARG 76 1HB ARG 76 -1.189 20.734 13.223 616 1HG ARG 76 2HG ARG 76 -3.399 19.226 11.811 617 2HG ARG 76 1HG ARG 76 -2.590 18.603 13.249 618 1HD ARG 76 2HD ARG 76 -3.824 21.369 13.196 619 2HD ARG 76 1HD ARG 76 -4.748 19.929 13.673 620 HE ARG 76 HE ARG 76 -2.122 20.369 14.989 621 1HH1 ARG 76 1HH1 ARG 76 -4.586 22.199 15.677 622 2HH1 ARG 76 2HH1 ARG 76 -5.121 21.420 17.128 623 1HH2 ARG 76 1HH2 ARG 76 -3.227 18.562 16.607 624 2HH2 ARG 76 2HH2 ARG 76 -4.350 19.361 17.656 625 H ALA 77 H ALA 77 -0.278 22.603 12.790 626 HA ALA 77 HA ALA 77 -2.183 24.797 13.499 627 1HB ALA 77 1HB ALA 77 -0.468 25.145 15.333 628 2HB ALA 77 2HB ALA 77 0.380 23.727 14.717 629 3HB ALA 77 3HB ALA 77 -1.254 23.567 15.362 630 H LYS 78 H LYS 78 -1.786 25.879 11.386 631 HA LYS 78 HA LYS 78 0.748 27.472 11.438 632 1HB LYS 78 2HB LYS 78 0.797 25.476 9.865 633 2HB LYS 78 1HB LYS 78 -0.508 26.250 8.964 634 1HG LYS 78 2HG LYS 78 0.991 28.303 8.796 635 2HG LYS 78 1HG LYS 78 2.297 27.289 9.408 636 1HD LYS 78 2HD LYS 78 2.012 25.738 7.533 637 2HD LYS 78 1HD LYS 78 0.651 26.687 6.934 638 1HE LYS 78 2HE LYS 78 2.236 28.671 6.769 639 2HE LYS 78 1HE LYS 78 3.560 27.531 7.082 640 1HZ LYS 78 1HZ LYS 78 3.139 27.741 4.702 641 2HZ LYS 78 2HZ LYS 78 1.523 27.266 4.932 642 3HZ LYS 78 3HZ LYS 78 2.785 26.172 5.243 Start of MODEL 13 1 1H MET 1 1HT MET 1 -8.647 14.598 0.761 2 2H MET 1 2HT MET 1 -8.360 16.122 1.455 3 3H MET 1 3HT MET 1 -8.512 14.749 2.445 4 HA MET 1 HA MET 1 -6.181 15.362 2.243 5 1HB MET 1 2HB MET 1 -7.236 12.966 2.259 6 2HB MET 1 1HB MET 1 -6.690 12.900 0.583 7 1HG MET 1 2HG MET 1 -4.392 13.373 1.278 8 2HG MET 1 1HG MET 1 -4.913 13.542 2.955 9 1HE MET 1 1HE MET 1 -5.066 11.852 4.569 10 2HE MET 1 2HE MET 1 -5.522 10.170 4.309 11 3HE MET 1 3HE MET 1 -6.657 11.455 3.904 12 H LYS 2 H LYS 2 -7.438 14.217 -0.915 13 HA LYS 2 HA LYS 2 -6.769 14.737 -3.116 14 1HB LYS 2 2HB LYS 2 -6.288 17.332 -1.623 15 2HB LYS 2 1HB LYS 2 -6.263 17.201 -3.383 16 1HG LYS 2 2HG LYS 2 -8.579 16.348 -3.356 17 2HG LYS 2 1HG LYS 2 -8.606 16.480 -1.597 18 1HD LYS 2 2HD LYS 2 -8.384 18.871 -1.688 19 2HD LYS 2 1HD LYS 2 -8.047 18.831 -3.419 20 1HE LYS 2 2HE LYS 2 -10.339 19.436 -3.320 21 2HE LYS 2 1HE LYS 2 -10.399 17.684 -3.600 22 1HZ LYS 2 1HZ LYS 2 -10.445 19.001 -0.934 23 2HZ LYS 2 2HZ LYS 2 -10.520 17.328 -1.221 24 3HZ LYS 2 3HZ LYS 2 -11.796 18.335 -1.715 25 H LYS 3 H LYS 3 -4.756 16.039 -4.283 26 HA LYS 3 HA LYS 3 -2.207 15.476 -2.861 27 1HB LYS 3 2HB LYS 3 -3.298 13.489 -4.257 28 2HB LYS 3 1HB LYS 3 -2.588 14.360 -5.617 29 1HG LYS 3 2HG LYS 3 -0.393 14.349 -4.399 30 2HG LYS 3 1HG LYS 3 -1.131 13.320 -3.171 31 1HD LYS 3 2HD LYS 3 -0.083 11.797 -4.652 32 2HD LYS 3 1HD LYS 3 -1.782 11.767 -5.126 33 1HE LYS 3 2HE LYS 3 -1.393 13.004 -7.083 34 2HE LYS 3 1HE LYS 3 0.114 13.700 -6.456 35 1HZ LYS 3 1HZ LYS 3 0.562 11.903 -8.029 36 2HZ LYS 3 2HZ LYS 3 -0.332 10.825 -7.067 37 3HZ LYS 3 3HZ LYS 3 1.109 11.504 -6.474 38 H ASP 4 H ASP 4 -1.245 17.466 -3.110 39 HA ASP 4 HA ASP 4 -1.459 18.849 -5.757 40 1HB ASP 4 2HB ASP 4 -1.258 19.631 -2.892 41 2HB ASP 4 1HB ASP 4 -0.425 20.676 -4.044 42 HA PRO 5 HA PRO 5 2.865 18.373 -6.465 43 1HB PRO 5 2HB PRO 5 3.707 20.847 -7.277 44 2HB PRO 5 1HB PRO 5 2.708 19.786 -8.290 45 1HG PRO 5 2HG PRO 5 1.908 22.133 -6.646 46 2HG PRO 5 1HG PRO 5 1.335 21.623 -8.241 47 1HD PRO 5 2HD PRO 5 -0.055 21.197 -5.935 48 2HD PRO 5 1HD PRO 5 -0.188 20.155 -7.368 49 H ASN 6 H ASN 6 2.070 21.262 -4.545 50 HA ASN 6 HA ASN 6 4.704 21.450 -3.296 51 1HB ASN 6 2HB ASN 6 1.972 22.659 -2.776 52 2HB ASN 6 1HB ASN 6 3.404 23.093 -1.842 53 1HD2 ASN 6 1HD2 ASN 6 5.369 23.770 -3.308 54 2HD2 ASN 6 2HD2 ASN 6 4.997 24.729 -4.659 55 H ALA 7 H ALA 7 1.641 19.880 -2.563 56 HA ALA 7 HA ALA 7 2.213 19.299 0.231 57 1HB ALA 7 1HB ALA 7 0.210 17.925 0.025 58 2HB ALA 7 2HB ALA 7 0.343 17.938 -1.734 59 3HB ALA 7 3HB ALA 7 -0.043 19.425 -0.869 60 HA PRO 8 HA PRO 8 4.648 15.709 -0.319 61 1HB PRO 8 2HB PRO 8 3.986 14.227 1.862 62 2HB PRO 8 1HB PRO 8 5.056 15.640 1.884 63 1HG PRO 8 2HG PRO 8 2.324 15.372 2.866 64 2HG PRO 8 1HG PRO 8 3.583 16.551 3.214 65 1HD PRO 8 2HD PRO 8 1.328 16.918 1.536 66 2HD PRO 8 1HD PRO 8 2.645 18.060 1.869 67 H LYS 9 H LYS 9 4.591 13.471 -0.986 68 HA LYS 9 HA LYS 9 2.476 12.595 -2.575 69 1HB LYS 9 2HB LYS 9 4.655 11.188 -1.040 70 2HB LYS 9 1HB LYS 9 3.551 10.281 -2.073 71 1HG LYS 9 2HG LYS 9 4.254 11.418 -4.024 72 2HG LYS 9 1HG LYS 9 5.004 12.719 -3.097 73 1HD LYS 9 2HD LYS 9 5.973 9.869 -2.872 74 2HD LYS 9 1HD LYS 9 6.577 10.951 -4.127 75 1HE LYS 9 2HE LYS 9 7.063 12.618 -2.209 76 2HE LYS 9 1HE LYS 9 6.860 11.224 -1.131 77 1HZ LYS 9 1HZ LYS 9 9.166 11.443 -1.877 78 2HZ LYS 9 2HZ LYS 9 8.660 11.318 -3.495 79 3HZ LYS 9 3HZ LYS 9 8.470 10.001 -2.439 80 H ARG 10 H ARG 10 0.751 11.126 -2.298 81 HA ARG 10 HA ARG 10 -0.747 11.276 0.140 82 1HB ARG 10 2HB ARG 10 -2.179 9.596 -1.010 83 2HB ARG 10 1HB ARG 10 -1.715 10.907 -2.092 84 1HG ARG 10 2HG ARG 10 -0.861 9.385 -3.516 85 2HG ARG 10 1HG ARG 10 0.337 8.956 -2.297 86 1HD ARG 10 2HD ARG 10 -0.977 7.168 -1.463 87 2HD ARG 10 1HD ARG 10 -2.453 7.783 -2.234 88 HE ARG 10 HE ARG 10 -1.661 6.963 -4.342 89 1HH1 ARG 10 1HH2 ARG 10 -0.408 5.079 -2.066 90 2HH1 ARG 10 2HH2 ARG 10 1.107 4.736 -2.832 91 1HH2 ARG 10 1HH1 ARG 10 0.755 7.212 -5.234 92 2HH2 ARG 10 2HH1 ARG 10 1.765 5.944 -4.625 93 HA PRO 11 HA PRO 11 1.095 7.954 2.394 94 1HB PRO 11 2HB PRO 11 -0.914 7.379 4.148 95 2HB PRO 11 1HB PRO 11 0.078 8.844 4.266 96 1HG PRO 11 2HG PRO 11 -2.697 8.517 3.314 97 2HG PRO 11 1HG PRO 11 -1.921 9.904 4.089 98 1HD PRO 11 2HD PRO 11 -2.456 9.625 1.359 99 2HD PRO 11 1HD PRO 11 -1.381 10.827 2.099 100 HA PRO 12 HA PRO 12 -0.814 4.550 0.067 101 1HB PRO 12 2HB PRO 12 1.263 2.790 0.347 102 2HB PRO 12 1HB PRO 12 1.254 4.084 -0.868 103 1HG PRO 12 2HG PRO 12 2.623 3.976 1.773 104 2HG PRO 12 1HG PRO 12 3.193 4.636 0.232 105 1HD PRO 12 2HD PRO 12 2.242 6.183 2.257 106 2HD PRO 12 1HD PRO 12 2.126 6.639 0.543 107 H SER 13 H SER 13 -0.444 1.897 0.865 108 HA SER 13 HA SER 13 -0.637 1.591 3.759 109 1HB SER 13 2HB SER 13 -3.045 1.908 2.009 110 2HB SER 13 1HB SER 13 -3.141 0.805 3.378 111 HG SER 13 HG SER 13 -3.567 3.283 3.537 112 H ALA 14 H ALA 14 0.911 0.223 1.754 113 HA ALA 14 HA ALA 14 1.563 -1.981 1.315 114 1HB ALA 14 1HB ALA 14 0.020 -2.206 3.595 115 2HB ALA 14 2HB ALA 14 0.887 -3.539 2.834 116 3HB ALA 14 3HB ALA 14 -0.820 -3.278 2.473 117 H PHE 15 H PHE 15 -2.023 -2.241 1.261 118 HA PHE 15 HA PHE 15 -2.119 -3.648 -1.211 119 1HB PHE 15 2HB PHE 15 -3.940 -3.498 0.463 120 2HB PHE 15 1HB PHE 15 -4.150 -1.791 0.077 121 HD1 PHE 15 1HD PHE 15 -3.647 -4.870 -2.022 122 HD2 PHE 15 2HD PHE 15 -6.108 -1.459 -1.146 123 HE1 PHE 15 1HE PHE 15 -5.146 -5.468 -3.904 124 HE2 PHE 15 2HE PHE 15 -7.608 -2.060 -3.028 125 HZ PHE 15 HZ PHE 15 -7.126 -4.063 -4.407 126 H PHE 16 H PHE 16 -1.737 -0.225 -0.553 127 HA PHE 16 HA PHE 16 -2.595 0.709 -3.167 128 1HB PHE 16 2HB PHE 16 -2.188 1.850 -0.758 129 2HB PHE 16 1HB PHE 16 -0.636 2.231 -1.504 130 HD1 PHE 16 1HD PHE 16 -3.877 3.426 -1.027 131 HD2 PHE 16 2HD PHE 16 -0.896 3.014 -4.091 132 HE1 PHE 16 1HE PHE 16 -4.942 5.262 -2.310 133 HE2 PHE 16 2HE PHE 16 -1.959 4.851 -5.374 134 HZ PHE 16 HZ PHE 16 -3.983 5.975 -4.483 135 H LEU 17 H LEU 17 0.475 -0.375 -1.785 136 HA LEU 17 HA LEU 17 2.190 0.558 -3.922 137 1HB LEU 17 2HB LEU 17 2.274 -1.544 -1.761 138 2HB LEU 17 1HB LEU 17 3.541 -1.523 -2.984 139 HG LEU 17 HG LEU 17 4.184 -0.216 -0.979 140 1HD1 LEU 17 1HD1 LEU 17 3.664 1.722 -3.230 141 2HD1 LEU 17 2HD1 LEU 17 4.833 0.411 -3.395 142 3HD1 LEU 17 3HD1 LEU 17 5.056 1.639 -2.150 143 1HD2 LEU 17 1HD2 LEU 17 1.857 1.577 -1.743 144 2HD2 LEU 17 2HD2 LEU 17 3.003 1.860 -0.435 145 3HD2 LEU 17 3HD2 LEU 17 1.883 0.501 -0.346 146 H PHE 18 H PHE 18 1.438 -2.821 -3.236 147 HA PHE 18 HA PHE 18 1.848 -4.152 -5.574 148 1HB PHE 18 2HB PHE 18 0.948 -5.193 -3.577 149 2HB PHE 18 1HB PHE 18 -0.569 -4.313 -3.746 150 HD1 PHE 18 1HD PHE 18 1.547 -6.997 -5.199 151 HD2 PHE 18 2HD PHE 18 -2.283 -5.051 -5.261 152 HE1 PHE 18 1HE PHE 18 0.634 -8.837 -6.589 153 HE2 PHE 18 2HE PHE 18 -3.194 -6.890 -6.651 154 HZ PHE 18 HZ PHE 18 -1.740 -8.785 -7.315 155 H CYS 19 H CYS 19 -1.349 -2.527 -4.989 156 HA CYS 19 HA CYS 19 -2.295 -2.893 -7.660 157 1HB CYS 19 2HB CYS 19 -3.669 -2.376 -5.653 158 2HB CYS 19 1HB CYS 19 -2.956 -0.766 -5.598 159 HG CYS 19 HG CYS 19 -5.256 -0.699 -6.935 160 H SER 20 H SER 20 -0.599 -0.158 -6.127 161 HA SER 20 HA SER 20 -0.734 1.710 -8.250 162 1HB SER 20 2HB SER 20 0.079 2.311 -6.063 163 2HB SER 20 1HB SER 20 1.388 1.139 -6.165 164 HG SER 20 HG SER 20 2.017 3.324 -6.649 165 H GLU 21 H GLU 21 1.376 -1.121 -7.885 166 HA GLU 21 HA GLU 21 2.978 -0.307 -10.237 167 1HB GLU 21 2HB GLU 21 4.303 -2.306 -9.640 168 2HB GLU 21 1HB GLU 21 4.062 -1.255 -8.246 169 1HG GLU 21 2HG GLU 21 2.466 -2.698 -7.284 170 2HG GLU 21 1HG GLU 21 2.184 -3.547 -8.804 171 H HIS 22 H HIS 22 0.344 -2.561 -9.455 172 HA HIS 22 HA HIS 22 0.624 -3.871 -12.114 173 1HB HIS 22 2HB HIS 22 -0.965 -4.351 -9.585 174 2HB HIS 22 1HB HIS 22 -1.281 -5.254 -11.065 175 HD1 HIS 22 1HD HIS 22 1.048 -6.386 -12.119 176 HD2 HIS 22 2HD HIS 22 0.970 -5.537 -8.038 177 HE1 HIS 22 1HE HIS 22 2.866 -7.796 -11.059 178 H ARG 23 H ARG 23 -0.543 -1.006 -11.363 179 HA ARG 23 HA ARG 23 -3.339 -1.228 -12.179 180 1HB ARG 23 2HB ARG 23 -2.525 0.415 -10.539 181 2HB ARG 23 1HB ARG 23 -1.504 1.151 -11.766 182 1HG ARG 23 2HG ARG 23 -3.306 2.061 -12.923 183 2HG ARG 23 1HG ARG 23 -4.435 0.849 -12.315 184 1HD ARG 23 2HD ARG 23 -5.013 2.808 -11.104 185 2HD ARG 23 1HD ARG 23 -3.962 1.928 -9.976 186 HE ARG 23 HE ARG 23 -2.087 3.372 -10.739 187 1HH1 ARG 23 1HH2 ARG 23 -3.780 4.218 -13.229 188 2HH1 ARG 23 2HH2 ARG 23 -4.067 5.880 -12.836 189 1HH2 ARG 23 1HH1 ARG 23 -3.106 5.537 -9.522 190 2HH2 ARG 23 2HH1 ARG 23 -3.685 6.628 -10.736 191 HA PRO 24 HA PRO 24 -1.692 0.770 -16.187 192 1HB PRO 24 2HB PRO 24 0.975 0.620 -16.758 193 2HB PRO 24 1HB PRO 24 0.247 1.982 -15.883 194 1HG PRO 24 2HG PRO 24 1.808 -0.316 -14.845 195 2HG PRO 24 1HG PRO 24 1.773 1.367 -14.302 196 1HD PRO 24 2HD PRO 24 0.477 -0.704 -13.053 197 2HD PRO 24 1HD PRO 24 0.022 1.005 -12.907 198 H LYS 25 H LYS 25 -0.819 -2.263 -14.895 199 HA LYS 25 HA LYS 25 -0.118 -3.511 -17.480 200 1HB LYS 25 2HB LYS 25 0.870 -4.011 -15.162 201 2HB LYS 25 1HB LYS 25 -0.657 -4.817 -14.805 202 1HG LYS 25 2HG LYS 25 -0.294 -6.500 -16.378 203 2HG LYS 25 1HG LYS 25 0.817 -5.510 -17.326 204 1HD LYS 25 2HD LYS 25 2.565 -5.760 -15.712 205 2HD LYS 25 1HD LYS 25 1.459 -6.454 -14.525 206 1HE LYS 25 2HE LYS 25 2.666 -8.311 -15.470 207 2HE LYS 25 1HE LYS 25 1.064 -8.342 -16.235 208 1HZ LYS 25 1HZ LYS 25 1.927 -7.071 -18.078 209 2HZ LYS 25 2HZ LYS 25 2.869 -8.473 -17.877 210 3HZ LYS 25 3HZ LYS 25 3.454 -6.968 -17.346 211 H ILE 26 H ILE 26 -2.800 -3.491 -15.137 212 HA ILE 26 HA ILE 26 -4.398 -5.470 -16.538 213 HB ILE 26 HB ILE 26 -5.115 -3.320 -14.516 214 1HG1 ILE 26 2HG1 ILE 26 -3.347 -4.853 -13.724 215 2HG1 ILE 26 1HG1 ILE 26 -4.852 -5.132 -12.855 216 1HG2 ILE 26 1HG2 ILE 26 -6.614 -5.615 -15.717 217 2HG2 ILE 26 2HG2 ILE 26 -7.197 -4.017 -15.252 218 3HG2 ILE 26 3HG2 ILE 26 -6.888 -5.237 -14.016 219 1HD1 ILE 26 1HD1 ILE 26 -5.351 -7.003 -14.472 220 2HD1 ILE 26 2HD1 ILE 26 -3.936 -7.290 -13.461 221 3HD1 ILE 26 3HD1 ILE 26 -3.733 -6.784 -15.138 222 H LYS 27 H LYS 27 -3.907 -2.030 -16.895 223 HA LYS 27 HA LYS 27 -6.381 -1.497 -18.366 224 1HB LYS 27 2HB LYS 27 -3.767 -0.043 -17.889 225 2HB LYS 27 1HB LYS 27 -5.074 0.650 -18.849 226 1HG LYS 27 2HG LYS 27 -6.612 0.353 -16.910 227 2HG LYS 27 1HG LYS 27 -5.249 -0.229 -15.953 228 1HD LYS 27 2HD LYS 27 -5.314 2.049 -15.397 229 2HD LYS 27 1HD LYS 27 -4.106 2.007 -16.682 230 1HE LYS 27 2HE LYS 27 -5.526 3.787 -17.338 231 2HE LYS 27 1HE LYS 27 -6.159 2.416 -18.272 232 1HZ LYS 27 1HZ LYS 27 -7.930 3.563 -17.058 233 2HZ LYS 27 2HZ LYS 27 -7.128 3.264 -15.591 234 3HZ LYS 27 3HZ LYS 27 -7.738 1.970 -16.510 235 H SER 28 H SER 28 -3.231 -2.775 -19.164 236 HA SER 28 HA SER 28 -3.240 -2.041 -21.985 237 1HB SER 28 2HB SER 28 -1.221 -2.563 -20.611 238 2HB SER 28 1HB SER 28 -1.776 -4.228 -20.468 239 HG SER 28 HG SER 28 -0.691 -2.866 -22.635 240 H GLU 29 H GLU 29 -3.915 -5.057 -20.192 241 HA GLU 29 HA GLU 29 -4.920 -6.413 -22.608 242 1HB GLU 29 2HB GLU 29 -4.626 -7.087 -19.674 243 2HB GLU 29 1HB GLU 29 -5.380 -8.201 -20.816 244 1HG GLU 29 2HG GLU 29 -3.235 -7.816 -22.246 245 2HG GLU 29 1HG GLU 29 -2.533 -7.225 -20.740 246 H HIS 30 H HIS 30 -6.275 -4.057 -20.778 247 HA HIS 30 HA HIS 30 -9.022 -4.907 -21.428 248 1HB HIS 30 2HB HIS 30 -8.138 -4.249 -18.595 249 2HB HIS 30 1HB HIS 30 -9.792 -4.557 -19.102 250 HD1 HIS 30 1HD HIS 30 -10.495 -6.990 -19.513 251 HD2 HIS 30 2HD HIS 30 -6.460 -6.579 -18.570 252 HE1 HIS 30 1HE HIS 30 -9.632 -9.325 -19.039 253 HA PRO 31 HA PRO 31 -8.080 -0.419 -21.982 254 1HB PRO 31 2HB PRO 31 -9.587 -0.149 -24.263 255 2HB PRO 31 1HB PRO 31 -7.892 -0.683 -24.276 256 1HG PRO 31 2HG PRO 31 -10.389 -2.316 -24.423 257 2HG PRO 31 1HG PRO 31 -8.882 -2.478 -25.343 258 1HD PRO 31 2HD PRO 31 -9.446 -4.074 -23.241 259 2HD PRO 31 1HD PRO 31 -7.786 -3.560 -23.619 260 H GLY 32 H GLY 32 -9.343 0.967 -20.807 261 1HA GLY 32 2HA GLY 32 -11.397 2.146 -20.334 262 2HA GLY 32 1HA GLY 32 -12.298 0.805 -21.040 263 H LEU 33 H LEU 33 -10.411 -1.040 -19.396 264 HA LEU 33 HA LEU 33 -12.113 -1.771 -17.313 265 1HB LEU 33 2HB LEU 33 -9.917 -2.767 -18.335 266 2HB LEU 33 1HB LEU 33 -9.115 -1.889 -17.042 267 HG LEU 33 HG LEU 33 -9.598 -4.227 -16.401 268 1HD1 LEU 33 1HD1 LEU 33 -10.362 -3.734 -14.245 269 2HD1 LEU 33 2HD1 LEU 33 -11.462 -2.479 -14.815 270 3HD1 LEU 33 3HD1 LEU 33 -9.722 -2.188 -14.799 271 1HD2 LEU 33 1HD2 LEU 33 -12.532 -3.572 -16.357 272 2HD2 LEU 33 2HD2 LEU 33 -11.746 -5.150 -16.380 273 3HD2 LEU 33 3HD2 LEU 33 -11.794 -4.169 -17.844 274 H SER 34 H SER 34 -12.926 -0.211 -15.942 275 HA SER 34 HA SER 34 -11.612 2.062 -14.869 276 1HB SER 34 2HB SER 34 -13.407 1.713 -13.033 277 2HB SER 34 1HB SER 34 -13.972 1.881 -14.692 278 HG SER 34 HG SER 34 -14.739 -0.061 -14.547 279 H ILE 35 H ILE 35 -11.520 2.079 -12.193 280 HA ILE 35 HA ILE 35 -9.285 0.234 -11.555 281 HB ILE 35 HB ILE 35 -10.500 2.588 -10.068 282 1HG1 ILE 35 2HG1 ILE 35 -8.019 3.364 -11.026 283 2HG1 ILE 35 1HG1 ILE 35 -8.644 2.384 -12.352 284 1HG2 ILE 35 1HG2 ILE 35 -8.093 0.846 -9.625 285 2HG2 ILE 35 2HG2 ILE 35 -9.264 1.446 -8.450 286 3HG2 ILE 35 3HG2 ILE 35 -8.048 2.535 -9.119 287 1HD1 ILE 35 1HD1 ILE 35 -9.738 4.272 -12.972 288 2HD1 ILE 35 2HD1 ILE 35 -9.532 5.019 -11.388 289 3HD1 ILE 35 3HD1 ILE 35 -10.851 3.881 -11.661 290 H GLY 36 H GLY 36 -12.384 -0.405 -11.519 291 1HA GLY 36 2HA GLY 36 -12.599 -1.279 -8.684 292 2HA GLY 36 1HA GLY 36 -13.938 -1.204 -9.831 293 H ASP 37 H ASP 37 -13.122 -2.597 -11.974 294 HA ASP 37 HA ASP 37 -13.348 -5.336 -11.194 295 1HB ASP 37 2HB ASP 37 -12.339 -4.058 -13.751 296 2HB ASP 37 1HB ASP 37 -12.865 -5.732 -13.601 297 H THR 38 H THR 38 -10.479 -3.472 -12.302 298 HA THR 38 HA THR 38 -8.650 -5.690 -12.086 299 HB THR 38 HB THR 38 -8.183 -3.720 -13.447 300 HG1 THR 38 1HG THR 38 -6.414 -3.727 -11.241 301 1HG2 THR 38 1HG2 THR 38 -9.242 -1.926 -12.333 302 2HG2 THR 38 2HG2 THR 38 -7.519 -1.580 -12.192 303 3HG2 THR 38 3HG2 THR 38 -8.396 -2.256 -10.822 304 H ALA 39 H ALA 39 -9.870 -3.310 -9.806 305 HA ALA 39 HA ALA 39 -7.956 -3.731 -7.691 306 1HB ALA 39 1HB ALA 39 -9.830 -2.753 -6.315 307 2HB ALA 39 2HB ALA 39 -10.874 -2.881 -7.730 308 3HB ALA 39 3HB ALA 39 -9.469 -1.816 -7.764 309 H LYS 40 H LYS 40 -10.791 -5.475 -8.802 310 HA LYS 40 HA LYS 40 -11.041 -7.174 -6.428 311 1HB LYS 40 2HB LYS 40 -12.303 -6.797 -9.092 312 2HB LYS 40 1HB LYS 40 -12.403 -8.428 -8.429 313 1HG LYS 40 2HG LYS 40 -14.307 -7.445 -7.507 314 2HG LYS 40 1HG LYS 40 -13.123 -7.178 -6.227 315 1HD LYS 40 2HD LYS 40 -12.670 -4.918 -7.122 316 2HD LYS 40 1HD LYS 40 -13.872 -5.182 -8.385 317 1HE LYS 40 2HE LYS 40 -15.154 -4.060 -6.775 318 2HE LYS 40 1HE LYS 40 -15.440 -5.749 -6.306 319 1HZ LYS 40 1HZ LYS 40 -14.708 -4.452 -4.400 320 2HZ LYS 40 2HZ LYS 40 -13.303 -3.982 -5.231 321 3HZ LYS 40 3HZ LYS 40 -13.540 -5.611 -4.808 322 H LYS 41 H LYS 41 -9.448 -7.307 -9.581 323 HA LYS 41 HA LYS 41 -8.652 -10.128 -9.293 324 1HB LYS 41 2HB LYS 41 -9.162 -8.604 -11.403 325 2HB LYS 41 1HB LYS 41 -7.459 -8.176 -11.236 326 1HG LYS 41 2HG LYS 41 -6.992 -10.695 -11.139 327 2HG LYS 41 1HG LYS 41 -8.650 -10.913 -11.700 328 1HD LYS 41 2HD LYS 41 -8.052 -9.288 -13.597 329 2HD LYS 41 1HD LYS 41 -6.371 -9.533 -13.121 330 1HE LYS 41 2HE LYS 41 -8.252 -11.825 -13.775 331 2HE LYS 41 1HE LYS 41 -7.148 -11.096 -14.958 332 1HZ LYS 41 1HZ LYS 41 -6.112 -12.973 -13.801 333 2HZ LYS 41 2HZ LYS 41 -6.347 -12.190 -12.312 334 3HZ LYS 41 3HZ LYS 41 -5.304 -11.518 -13.472 335 H LEU 42 H LEU 42 -7.394 -6.996 -8.443 336 HA LEU 42 HA LEU 42 -4.590 -7.856 -8.199 337 1HB LEU 42 2HB LEU 42 -6.235 -5.421 -8.028 338 2HB LEU 42 1HB LEU 42 -4.936 -5.465 -6.839 339 HG LEU 42 HG LEU 42 -3.313 -5.951 -8.652 340 1HD1 LEU 42 1HD1 LEU 42 -5.647 -5.413 -10.512 341 2HD1 LEU 42 2HD1 LEU 42 -4.994 -7.019 -10.189 342 3HD1 LEU 42 3HD1 LEU 42 -3.992 -5.802 -10.979 343 1HD2 LEU 42 1HD2 LEU 42 -4.146 -3.595 -7.890 344 2HD2 LEU 42 2HD2 LEU 42 -4.894 -3.536 -9.486 345 3HD2 LEU 42 3HD2 LEU 42 -3.146 -3.722 -9.336 346 H GLY 43 H GLY 43 -7.079 -6.683 -5.897 347 1HA GLY 43 2HA GLY 43 -5.755 -7.315 -3.493 348 2HA GLY 43 1HA GLY 43 -7.513 -7.300 -3.663 349 H GLU 44 H GLU 44 -7.371 -9.429 -5.767 350 HA GLU 44 HA GLU 44 -7.572 -11.752 -4.034 351 1HB GLU 44 2HB GLU 44 -8.854 -11.336 -6.160 352 2HB GLU 44 1HB GLU 44 -7.350 -11.536 -7.061 353 1HG GLU 44 2HG GLU 44 -8.301 -13.682 -7.157 354 2HG GLU 44 1HG GLU 44 -7.177 -13.814 -5.804 355 H MET 45 H MET 45 -5.167 -10.466 -6.309 356 HA MET 45 HA MET 45 -3.332 -12.726 -5.990 357 1HB MET 45 2HB MET 45 -3.439 -10.077 -7.394 358 2HB MET 45 1HB MET 45 -1.865 -10.846 -7.183 359 1HG MET 45 2HG MET 45 -2.533 -12.784 -8.393 360 2HG MET 45 1HG MET 45 -4.237 -12.335 -8.317 361 1HE MET 45 1HE MET 45 -0.887 -12.033 -9.725 362 2HE MET 45 2HE MET 45 -0.861 -10.303 -9.390 363 3HE MET 45 3HE MET 45 -0.935 -10.868 -11.057 364 H TRP 46 H TRP 46 -3.546 -9.353 -4.817 365 HA TRP 46 HA TRP 46 -1.096 -9.113 -3.422 366 1HB TRP 46 2HB TRP 46 -2.653 -7.286 -3.744 367 2HB TRP 46 1HB TRP 46 -3.901 -8.103 -2.815 368 HD1 TRP 46 HD TRP 46 -4.103 -7.109 -0.478 369 HE1 TRP 46 1HE TRP 46 -2.478 -6.084 1.244 370 HE3 TRP 46 3HE TRP 46 0.260 -7.485 -3.073 371 HZ2 TRP 46 2HZ TRP 46 0.318 -5.504 1.479 372 HZ3 TRP 46 3HZ TRP 46 2.392 -6.693 -2.089 373 HH2 TRP 46 HH TRP 46 2.421 -5.710 0.177 374 H SER 47 H SER 47 -4.211 -10.411 -2.193 375 HA SER 47 HA SER 47 -3.236 -11.166 0.399 376 1HB SER 47 2HB SER 47 -5.626 -10.885 -0.403 377 2HB SER 47 1HB SER 47 -5.459 -12.428 -1.234 378 HG SER 47 HG SER 47 -5.080 -11.966 1.546 379 H GLU 48 H GLU 48 -2.536 -12.496 -2.693 380 HA GLU 48 HA GLU 48 -1.929 -15.184 -1.591 381 1HB GLU 48 2HB GLU 48 -2.473 -13.945 -4.269 382 2HB GLU 48 1HB GLU 48 -1.521 -15.427 -4.203 383 1HG GLU 48 2HG GLU 48 -4.140 -15.207 -2.727 384 2HG GLU 48 1HG GLU 48 -4.093 -15.656 -4.433 385 H GLN 49 H GLN 49 -0.412 -12.177 -2.458 386 HA GLN 49 HA GLN 49 2.117 -13.080 -3.409 387 1HB GLN 49 2HB GLN 49 1.329 -10.684 -1.708 388 2HB GLN 49 1HB GLN 49 2.860 -10.836 -2.564 389 1HG GLN 49 2HG GLN 49 0.118 -10.815 -3.847 390 2HG GLN 49 1HG GLN 49 1.265 -9.483 -3.861 391 1HE2 GLN 49 1HE2 GLN 49 0.211 -10.997 -6.212 392 2HE2 GLN 49 2HE2 GLN 49 1.571 -11.652 -6.985 393 H SER 50 H SER 50 3.956 -13.753 -2.302 394 HA SER 50 HA SER 50 3.583 -14.581 0.515 395 1HB SER 50 2HB SER 50 5.578 -15.941 0.033 396 2HB SER 50 1HB SER 50 4.409 -16.125 -1.270 397 HG SER 50 HG SER 50 6.403 -15.721 -2.179 398 H ALA 51 H ALA 51 6.890 -14.130 0.059 399 HA ALA 51 HA ALA 51 6.774 -11.519 1.501 400 1HB ALA 51 1HB ALA 51 9.194 -12.285 2.044 401 2HB ALA 51 2HB ALA 51 8.708 -13.836 1.357 402 3HB ALA 51 3HB ALA 51 7.869 -13.196 2.770 403 H LYS 52 H LYS 52 7.378 -12.708 -1.615 404 HA LYS 52 HA LYS 52 9.653 -10.992 -2.293 405 1HB LYS 52 2HB LYS 52 8.973 -13.234 -3.323 406 2HB LYS 52 1HB LYS 52 7.664 -12.363 -4.123 407 1HG LYS 52 2HG LYS 52 9.533 -10.746 -4.932 408 2HG LYS 52 1HG LYS 52 10.636 -12.055 -4.507 409 1HD LYS 52 2HD LYS 52 9.803 -13.478 -6.143 410 2HD LYS 52 1HD LYS 52 8.226 -12.685 -6.173 411 1HE LYS 52 2HE LYS 52 9.636 -10.613 -7.050 412 2HE LYS 52 1HE LYS 52 10.770 -11.884 -7.547 413 1HZ LYS 52 1HZ LYS 52 7.858 -11.844 -8.146 414 2HZ LYS 52 2HZ LYS 52 8.953 -13.054 -8.618 415 3HZ LYS 52 3HZ LYS 52 9.088 -11.486 -9.257 416 H ASP 53 H ASP 53 6.127 -10.959 -2.825 417 HA ASP 53 HA ASP 53 6.345 -8.076 -3.642 418 1HB ASP 53 2HB ASP 53 4.963 -10.448 -4.736 419 2HB ASP 53 1HB ASP 53 3.958 -9.002 -4.633 420 H LYS 54 H LYS 54 6.207 -8.403 -1.008 421 HA LYS 54 HA LYS 54 3.633 -7.302 -0.253 422 1HB LYS 54 2HB LYS 54 3.701 -10.011 -0.517 423 2HB LYS 54 1HB LYS 54 4.143 -9.833 1.178 424 1HG LYS 54 2HG LYS 54 2.119 -8.202 1.309 425 2HG LYS 54 1HG LYS 54 1.633 -8.913 -0.225 426 1HD LYS 54 2HD LYS 54 0.498 -10.152 1.465 427 2HD LYS 54 1HD LYS 54 1.814 -11.177 0.899 428 1HE LYS 54 2HE LYS 54 2.181 -11.366 3.183 429 2HE LYS 54 1HE LYS 54 3.114 -9.885 2.887 430 1HZ LYS 54 1HZ LYS 54 0.238 -10.002 3.632 431 2HZ LYS 54 2HZ LYS 54 1.119 -8.584 3.315 432 3HZ LYS 54 3HZ LYS 54 1.504 -9.543 4.664 433 H GLN 55 H GLN 55 6.716 -8.730 0.783 434 HA GLN 55 HA GLN 55 6.635 -7.702 3.494 435 1HB GLN 55 2HB GLN 55 8.548 -9.009 1.633 436 2HB GLN 55 1HB GLN 55 9.265 -8.086 2.952 437 1HG GLN 55 2HG GLN 55 7.129 -10.207 3.316 438 2HG GLN 55 1HG GLN 55 8.855 -10.485 3.545 439 1HE2 GLN 55 1HE2 GLN 55 5.989 -9.299 5.068 440 2HE2 GLN 55 2HE2 GLN 55 6.724 -8.702 6.477 441 HA PRO 56 HA PRO 56 9.414 -4.193 1.816 442 1HB PRO 56 2HB PRO 56 9.760 -3.940 -0.884 443 2HB PRO 56 1HB PRO 56 10.828 -4.922 0.137 444 1HG PRO 56 2HG PRO 56 8.591 -5.775 -1.630 445 2HG PRO 56 1HG PRO 56 10.160 -6.544 -1.346 446 1HD PRO 56 2HD PRO 56 7.843 -7.393 -0.207 447 2HD PRO 56 1HD PRO 56 9.440 -7.617 0.539 448 H TYR 57 H TYR 57 6.386 -5.121 0.526 449 HA TYR 57 HA TYR 57 5.694 -2.525 -0.665 450 1HB TYR 57 2HB TYR 57 4.311 -5.152 -0.111 451 2HB TYR 57 1HB TYR 57 3.423 -3.765 -0.744 452 HD1 TYR 57 1HD TYR 57 3.296 -3.496 -3.050 453 HD2 TYR 57 2HD TYR 57 6.603 -5.667 -1.381 454 HE1 TYR 57 1HE TYR 57 4.116 -4.000 -5.333 455 HE2 TYR 57 2HE TYR 57 7.424 -6.172 -3.665 456 HH TYR 57 HH TYR 57 5.578 -5.852 -6.393 457 H GLU 58 H GLU 58 4.830 -4.375 2.274 458 HA GLU 58 HA GLU 58 3.057 -2.292 3.291 459 1HB GLU 58 2HB GLU 58 3.002 -3.788 5.267 460 2HB GLU 58 1HB GLU 58 2.781 -4.693 3.772 461 1HG GLU 58 2HG GLU 58 4.475 -6.018 4.470 462 2HG GLU 58 1HG GLU 58 5.546 -4.667 4.110 463 H GLN 59 H GLN 59 6.491 -2.902 3.452 464 HA GLN 59 HA GLN 59 6.965 -1.354 5.891 465 1HB GLN 59 2HB GLN 59 8.651 -2.535 3.674 466 2HB GLN 59 1HB GLN 59 9.366 -1.598 4.986 467 1HG GLN 59 2HG GLN 59 8.752 -3.170 6.616 468 2HG GLN 59 1HG GLN 59 7.498 -3.876 5.598 469 1HE2 GLN 59 1HE2 GLN 59 10.960 -3.186 4.867 470 2HE2 GLN 59 2HE2 GLN 59 11.343 -4.787 4.452 471 H LYS 60 H LYS 60 8.250 -0.791 2.597 472 HA LYS 60 HA LYS 60 8.922 1.898 2.800 473 1HB LYS 60 2HB LYS 60 9.274 0.275 0.898 474 2HB LYS 60 1HB LYS 60 7.610 0.587 0.403 475 1HG LYS 60 2HG LYS 60 8.232 3.066 0.369 476 2HG LYS 60 1HG LYS 60 9.912 2.544 0.505 477 1HD LYS 60 2HD LYS 60 9.570 1.115 -1.531 478 2HD LYS 60 1HD LYS 60 7.963 1.823 -1.702 479 1HE LYS 60 2HE LYS 60 10.364 3.631 -1.465 480 2HE LYS 60 1HE LYS 60 9.945 2.907 -3.031 481 1HZ LYS 60 1HZ LYS 60 8.084 4.423 -1.276 482 2HZ LYS 60 2HZ LYS 60 7.683 3.714 -2.767 483 3HZ LYS 60 3HZ LYS 60 8.780 5.011 -2.707 484 H ALA 61 H ALA 61 5.678 0.565 2.509 485 HA ALA 61 HA ALA 61 4.449 3.186 1.920 486 1HB ALA 61 1HB ALA 61 3.062 0.633 2.736 487 2HB ALA 61 2HB ALA 61 3.757 0.804 1.125 488 3HB ALA 61 3HB ALA 61 2.479 1.898 1.655 489 H ALA 62 H ALA 62 4.763 0.892 4.602 490 HA ALA 62 HA ALA 62 3.032 2.138 6.492 491 1HB ALA 62 1HB ALA 62 3.837 -0.027 6.976 492 2HB ALA 62 2HB ALA 62 4.733 0.987 8.107 493 3HB ALA 62 3HB ALA 62 5.506 0.419 6.627 494 H LYS 63 H LYS 63 6.539 2.616 5.923 495 HA LYS 63 HA LYS 63 6.908 4.624 7.955 496 1HB LYS 63 2HB LYS 63 8.583 3.157 6.602 497 2HB LYS 63 1HB LYS 63 8.464 4.418 5.375 498 1HG LYS 63 2HG LYS 63 9.080 6.106 7.113 499 2HG LYS 63 1HG LYS 63 9.321 4.787 8.259 500 1HD LYS 63 2HD LYS 63 10.751 4.902 5.596 501 2HD LYS 63 1HD LYS 63 11.421 5.618 7.062 502 1HE LYS 63 2HE LYS 63 10.462 2.771 7.163 503 2HE LYS 63 1HE LYS 63 12.043 3.126 6.439 504 1HZ LYS 63 1HZ LYS 63 12.204 2.796 8.852 505 2HZ LYS 63 2HZ LYS 63 11.128 4.088 9.100 506 3HZ LYS 63 3HZ LYS 63 12.651 4.369 8.402 507 H LEU 64 H LEU 64 6.684 4.971 4.394 508 HA LEU 64 HA LEU 64 6.575 7.776 4.211 509 1HB LEU 64 2HB LEU 64 5.408 5.493 2.626 510 2HB LEU 64 1HB LEU 64 5.126 7.159 2.123 511 HG LEU 64 HG LEU 64 7.888 6.057 2.679 512 1HD1 LEU 64 1HD1 LEU 64 8.146 5.521 0.412 513 2HD1 LEU 64 2HD1 LEU 64 6.770 6.511 -0.077 514 3HD1 LEU 64 3HD1 LEU 64 6.502 4.972 0.741 515 1HD2 LEU 64 1HD2 LEU 64 7.877 8.438 2.775 516 2HD2 LEU 64 2HD2 LEU 64 6.769 8.563 1.408 517 3HD2 LEU 64 3HD2 LEU 64 8.437 8.051 1.149 518 H LYS 65 H LYS 65 4.014 5.491 5.040 519 HA LYS 65 HA LYS 65 1.831 7.409 4.924 520 1HB LYS 65 2HB LYS 65 1.600 4.937 4.728 521 2HB LYS 65 1HB LYS 65 2.144 4.770 6.398 522 1HG LYS 65 2HG LYS 65 0.181 6.478 6.875 523 2HG LYS 65 1HG LYS 65 -0.446 5.854 5.348 524 1HD LYS 65 2HD LYS 65 -0.508 3.614 6.180 525 2HD LYS 65 1HD LYS 65 0.441 4.044 7.604 526 1HE LYS 65 2HE LYS 65 -2.146 5.492 7.155 527 2HE LYS 65 1HE LYS 65 -2.204 3.832 7.780 528 1HZ LYS 65 1HZ LYS 65 -1.968 5.418 9.592 529 2HZ LYS 65 2HZ LYS 65 -0.558 6.049 8.885 530 3HZ LYS 65 3HZ LYS 65 -0.580 4.453 9.466 531 H GLU 66 H GLU 66 3.598 5.862 7.617 532 HA GLU 66 HA GLU 66 2.459 7.389 9.742 533 1HB GLU 66 2HB GLU 66 3.834 5.270 9.854 534 2HB GLU 66 1HB GLU 66 5.266 6.253 9.545 535 1HG GLU 66 2HG GLU 66 4.903 7.531 11.571 536 2HG GLU 66 1HG GLU 66 3.355 6.730 11.848 537 H LYS 67 H LYS 67 5.188 8.056 7.587 538 HA LYS 67 HA LYS 67 6.117 10.409 9.040 539 1HB LYS 67 2HB LYS 67 7.302 8.768 7.371 540 2HB LYS 67 1HB LYS 67 6.622 9.823 6.131 541 1HG LYS 67 2HG LYS 67 7.698 11.773 7.191 542 2HG LYS 67 1HG LYS 67 8.378 10.722 8.435 543 1HD LYS 67 2HD LYS 67 8.882 10.208 5.505 544 2HD LYS 67 1HD LYS 67 9.894 11.318 6.429 545 1HE LYS 67 2HE LYS 67 10.248 9.439 8.109 546 2HE LYS 67 1HE LYS 67 9.473 8.358 6.934 547 1HZ LYS 67 1HZ LYS 67 11.803 10.118 6.379 548 2HZ LYS 67 2HZ LYS 67 11.055 9.079 5.263 549 3HZ LYS 67 3HZ LYS 67 11.879 8.439 6.604 550 H TYR 68 H TYR 68 3.645 9.795 6.662 551 HA TYR 68 HA TYR 68 3.445 12.435 5.490 552 1HB TYR 68 2HB TYR 68 2.533 10.241 4.636 553 2HB TYR 68 1HB TYR 68 1.328 10.298 5.914 554 HD1 TYR 68 1HD TYR 68 -0.734 11.258 5.445 555 HD2 TYR 68 2HD TYR 68 2.701 12.452 3.158 556 HE1 TYR 68 1HE TYR 68 -2.185 12.650 3.997 557 HE2 TYR 68 2HE TYR 68 1.251 13.850 1.712 558 HH TYR 68 HH TYR 68 -0.840 14.774 1.509 559 H GLU 69 H GLU 69 1.966 10.846 8.266 560 HA GLU 69 HA GLU 69 0.021 12.802 8.979 561 1HB GLU 69 2HB GLU 69 1.677 10.881 10.649 562 2HB GLU 69 1HB GLU 69 0.235 11.713 11.231 563 1HG GLU 69 2HG GLU 69 -0.918 10.694 9.127 564 2HG GLU 69 1HG GLU 69 0.454 9.585 9.112 565 H LYS 70 H LYS 70 3.500 12.634 9.626 566 HA LYS 70 HA LYS 70 3.398 15.028 11.374 567 1HB LYS 70 2HB LYS 70 5.573 13.139 10.409 568 2HB LYS 70 1HB LYS 70 5.889 14.515 11.467 569 1HG LYS 70 2HG LYS 70 3.810 12.437 12.158 570 2HG LYS 70 1HG LYS 70 5.504 12.234 12.603 571 1HD LYS 70 2HD LYS 70 5.472 14.317 13.861 572 2HD LYS 70 1HD LYS 70 3.825 14.653 13.327 573 1HE LYS 70 2HE LYS 70 2.905 12.957 14.672 574 2HE LYS 70 1HE LYS 70 4.450 12.093 14.800 575 1HZ LYS 70 1HZ LYS 70 4.000 13.354 16.819 576 2HZ LYS 70 2HZ LYS 70 3.876 14.788 15.916 577 3HZ LYS 70 3HZ LYS 70 5.362 13.972 16.019 578 H ASP 71 H ASP 71 4.446 13.985 8.177 579 HA ASP 71 HA ASP 71 5.850 16.343 7.345 580 1HB ASP 71 2HB ASP 71 4.580 13.937 6.184 581 2HB ASP 71 1HB ASP 71 4.669 15.300 5.083 582 H ILE 72 H ILE 72 2.516 15.306 6.627 583 HA ILE 72 HA ILE 72 1.571 17.679 5.423 584 HB ILE 72 HB ILE 72 0.364 15.393 6.978 585 1HG1 ILE 72 2HG1 ILE 72 1.231 15.025 4.707 586 2HG1 ILE 72 1HG1 ILE 72 -0.514 14.803 4.775 587 1HG2 ILE 72 1HG2 ILE 72 -1.088 17.838 5.959 588 2HG2 ILE 72 2HG2 ILE 72 -1.291 16.993 7.495 589 3HG2 ILE 72 3HG2 ILE 72 -1.891 16.267 6.003 590 1HD1 ILE 72 1HD1 ILE 72 1.025 17.128 3.618 591 2HD1 ILE 72 2HD1 ILE 72 -0.683 17.267 4.027 592 3HD1 ILE 72 3HD1 ILE 72 -0.157 16.099 2.818 593 H ALA 73 H ALA 73 1.405 16.757 8.890 594 HA ALA 73 HA ALA 73 0.053 19.039 9.884 595 1HB ALA 73 1HB ALA 73 0.518 17.070 11.226 596 2HB ALA 73 2HB ALA 73 1.300 18.446 12.004 597 3HB ALA 73 3HB ALA 73 2.257 17.309 11.053 598 H ALA 74 H ALA 74 3.599 18.544 9.849 599 HA ALA 74 HA ALA 74 4.361 21.160 10.630 600 1HB ALA 74 1HB ALA 74 5.801 19.292 8.721 601 2HB ALA 74 2HB ALA 74 5.768 19.071 10.471 602 3HB ALA 74 3HB ALA 74 6.539 20.497 9.775 603 H TYR 75 H TYR 75 3.482 19.874 7.464 604 HA TYR 75 HA TYR 75 4.271 22.328 6.042 605 1HB TYR 75 2HB TYR 75 4.204 19.769 5.327 606 2HB TYR 75 1HB TYR 75 2.540 20.163 4.897 607 HD1 TYR 75 1HD TYR 75 6.061 21.349 4.439 608 HD2 TYR 75 2HD TYR 75 2.065 21.245 2.864 609 HE1 TYR 75 1HE TYR 75 6.853 22.436 2.355 610 HE2 TYR 75 2HE TYR 75 2.858 22.332 0.781 611 HH TYR 75 HH TYR 75 6.204 22.685 0.051 612 H ARG 76 H ARG 76 1.468 21.168 7.738 613 HA ARG 76 HA ARG 76 -0.542 22.601 6.203 614 1HB ARG 76 2HB ARG 76 -0.455 20.661 8.170 615 2HB ARG 76 1HB ARG 76 -1.070 22.055 9.050 616 1HG ARG 76 2HG ARG 76 -2.211 21.200 6.385 617 2HG ARG 76 1HG ARG 76 -2.825 20.577 7.917 618 1HD ARG 76 2HD ARG 76 -3.082 23.039 8.633 619 2HD ARG 76 1HD ARG 76 -2.866 23.433 6.916 620 HE ARG 76 HE ARG 76 -5.015 21.608 7.932 621 1HH1 ARG 76 1HH1 ARG 76 -5.604 24.484 7.161 622 2HH1 ARG 76 2HH1 ARG 76 -6.185 24.292 5.541 623 1HH2 ARG 76 1HH2 ARG 76 -4.942 21.074 5.194 624 2HH2 ARG 76 2HH2 ARG 76 -5.811 22.362 4.427 625 H ALA 77 H ALA 77 1.923 23.770 8.227 626 HA ALA 77 HA ALA 77 0.319 26.225 8.861 627 1HB ALA 77 1HB ALA 77 2.532 24.819 10.391 628 2HB ALA 77 2HB ALA 77 0.835 24.929 10.859 629 3HB ALA 77 3HB ALA 77 1.845 26.375 10.856 630 H LYS 78 H LYS 78 1.111 27.066 6.751 631 HA LYS 78 HA LYS 78 3.743 28.387 7.040 632 1HB LYS 78 2HB LYS 78 3.049 26.204 5.100 633 2HB LYS 78 1HB LYS 78 4.167 27.470 4.591 634 1HG LYS 78 2HG LYS 78 5.335 26.977 6.892 635 2HG LYS 78 1HG LYS 78 4.482 25.437 6.779 636 1HD LYS 78 2HD LYS 78 5.638 24.783 4.860 637 2HD LYS 78 1HD LYS 78 6.030 26.442 4.410 638 1HE LYS 78 2HE LYS 78 7.138 25.303 6.971 639 2HE LYS 78 1HE LYS 78 7.930 24.944 5.423 640 1HZ LYS 78 1HZ LYS 78 8.797 26.995 6.370 641 2HZ LYS 78 2HZ LYS 78 7.233 27.654 6.428 642 3HZ LYS 78 3HZ LYS 78 7.960 27.314 4.930 Start of MODEL 14 1 1H MET 1 1HT MET 1 -10.952 21.695 2.494 2 2H MET 1 2HT MET 1 -10.351 20.926 1.103 3 3H MET 1 3HT MET 1 -10.374 20.103 2.589 4 HA MET 1 HA MET 1 -12.832 20.209 2.585 5 1HB MET 1 2HB MET 1 -12.542 22.297 1.034 6 2HB MET 1 1HB MET 1 -12.514 21.112 -0.273 7 1HG MET 1 2HG MET 1 -14.698 20.311 0.281 8 2HG MET 1 1HG MET 1 -14.701 21.181 1.815 9 1HE MET 1 1HE MET 1 -16.366 21.092 -1.339 10 2HE MET 1 2HE MET 1 -14.747 21.321 -1.995 11 3HE MET 1 3HE MET 1 -15.979 22.551 -2.260 12 H LYS 2 H LYS 2 -10.808 19.568 -0.303 13 HA LYS 2 HA LYS 2 -11.472 16.672 -0.080 14 1HB LYS 2 2HB LYS 2 -12.135 18.582 -2.312 15 2HB LYS 2 1HB LYS 2 -11.852 16.879 -2.674 16 1HG LYS 2 2HG LYS 2 -13.539 16.378 -0.794 17 2HG LYS 2 1HG LYS 2 -13.983 18.081 -0.905 18 1HD LYS 2 2HD LYS 2 -14.752 17.861 -3.125 19 2HD LYS 2 1HD LYS 2 -13.889 16.342 -3.366 20 1HE LYS 2 2HE LYS 2 -15.418 15.418 -1.469 21 2HE LYS 2 1HE LYS 2 -16.434 16.831 -1.817 22 1HZ LYS 2 1HZ LYS 2 -16.435 16.221 -4.152 23 2HZ LYS 2 2HZ LYS 2 -17.042 14.939 -3.217 24 3HZ LYS 2 3HZ LYS 2 -15.460 14.871 -3.830 25 H LYS 3 H LYS 3 -9.041 17.346 0.646 26 HA LYS 3 HA LYS 3 -6.733 17.166 0.183 27 1HB LYS 3 2HB LYS 3 -8.257 15.270 -1.405 28 2HB LYS 3 1HB LYS 3 -6.783 15.730 -2.255 29 1HG LYS 3 2HG LYS 3 -6.111 13.909 -0.910 30 2HG LYS 3 1HG LYS 3 -5.590 15.323 0.008 31 1HD LYS 3 2HD LYS 3 -8.347 14.285 0.504 32 2HD LYS 3 1HD LYS 3 -6.993 13.361 1.155 33 1HE LYS 3 2HE LYS 3 -6.132 15.582 2.122 34 2HE LYS 3 1HE LYS 3 -7.741 16.234 1.749 35 1HZ LYS 3 1HZ LYS 3 -7.583 15.232 4.000 36 2HZ LYS 3 2HZ LYS 3 -7.268 13.728 3.274 37 3HZ LYS 3 3HZ LYS 3 -8.758 14.501 3.018 38 H ASP 4 H ASP 4 -6.167 19.315 -0.319 39 HA ASP 4 HA ASP 4 -6.686 20.485 -2.951 40 1HB ASP 4 2HB ASP 4 -5.378 21.222 -0.366 41 2HB ASP 4 1HB ASP 4 -4.928 22.151 -1.797 42 HA PRO 5 HA PRO 5 -2.966 19.272 -4.975 43 1HB PRO 5 2HB PRO 5 -2.111 21.549 -6.228 44 2HB PRO 5 1HB PRO 5 -3.531 20.627 -6.762 45 1HG PRO 5 2HG PRO 5 -3.392 23.132 -5.165 46 2HG PRO 5 1HG PRO 5 -4.542 22.658 -6.424 47 1HD PRO 5 2HD PRO 5 -5.092 22.551 -3.751 48 2HD PRO 5 1HD PRO 5 -5.867 21.506 -4.962 49 H ASN 6 H ASN 6 -2.709 22.229 -3.040 50 HA ASN 6 HA ASN 6 0.186 22.232 -2.838 51 1HB ASN 6 2HB ASN 6 -2.110 23.504 -1.335 52 2HB ASN 6 1HB ASN 6 -0.431 23.789 -0.872 53 1HD2 ASN 6 1HD2 ASN 6 -2.914 24.886 -2.933 54 2HD2 ASN 6 2HD2 ASN 6 -1.958 25.807 -3.990 55 H ALA 7 H ALA 7 -2.450 20.900 -0.865 56 HA ALA 7 HA ALA 7 -0.623 19.933 1.235 57 1HB ALA 7 1HB ALA 7 -3.179 20.748 1.217 58 2HB ALA 7 2HB ALA 7 -2.595 19.564 2.386 59 3HB ALA 7 3HB ALA 7 -3.455 19.027 0.943 60 HA PRO 8 HA PRO 8 -0.080 15.959 -0.530 61 1HB PRO 8 2HB PRO 8 0.306 14.423 1.675 62 2HB PRO 8 1HB PRO 8 1.516 15.521 0.990 63 1HG PRO 8 2HG PRO 8 -0.053 15.792 3.422 64 2HG PRO 8 1HG PRO 8 1.422 16.585 2.891 65 1HD PRO 8 2HD PRO 8 -1.200 17.679 2.889 66 2HD PRO 8 1HD PRO 8 0.308 18.434 2.335 67 H LYS 9 H LYS 9 -0.942 13.588 -0.366 68 HA LYS 9 HA LYS 9 -3.850 13.676 0.374 69 1HB LYS 9 2HB LYS 9 -2.340 12.164 -1.783 70 2HB LYS 9 1HB LYS 9 -4.074 12.028 -1.490 71 1HG LYS 9 2HG LYS 9 -4.471 14.277 -2.130 72 2HG LYS 9 1HG LYS 9 -2.763 14.697 -2.012 73 1HD LYS 9 2HD LYS 9 -2.297 13.115 -3.899 74 2HD LYS 9 1HD LYS 9 -4.035 12.869 -4.068 75 1HE LYS 9 2HE LYS 9 -3.630 14.582 -5.632 76 2HE LYS 9 1HE LYS 9 -4.097 15.512 -4.195 77 1HZ LYS 9 1HZ LYS 9 -1.311 14.764 -4.914 78 2HZ LYS 9 2HZ LYS 9 -1.785 15.692 -3.571 79 3HZ LYS 9 3HZ LYS 9 -1.990 16.301 -5.143 80 H ARG 10 H ARG 10 -4.647 11.238 0.599 81 HA ARG 10 HA ARG 10 -3.546 10.111 2.941 82 1HB ARG 10 2HB ARG 10 -4.958 8.156 2.316 83 2HB ARG 10 1HB ARG 10 -5.804 9.684 2.074 84 1HG ARG 10 2HG ARG 10 -4.582 9.352 -0.362 85 2HG ARG 10 1HG ARG 10 -4.929 7.682 0.087 86 1HD ARG 10 2HD ARG 10 -7.029 9.864 0.265 87 2HD ARG 10 1HD ARG 10 -6.798 8.875 -1.190 88 HE ARG 10 HE ARG 10 -7.037 7.380 1.344 89 1HH1 ARG 10 1HH2 ARG 10 -9.551 8.986 0.416 90 2HH1 ARG 10 2HH2 ARG 10 -10.423 7.727 -0.393 91 1HH2 ARG 10 1HH1 ARG 10 -7.706 5.576 -0.537 92 2HH2 ARG 10 2HH1 ARG 10 -9.378 5.796 -0.933 93 HA PRO 11 HA PRO 11 0.054 8.096 1.241 94 1HB PRO 11 2HB PRO 11 0.744 6.591 3.417 95 2HB PRO 11 1HB PRO 11 1.037 8.339 3.323 96 1HG PRO 11 2HG PRO 11 -1.089 6.849 4.760 97 2HG PRO 11 1HG PRO 11 -0.231 8.326 5.223 98 1HD PRO 11 2HD PRO 11 -2.776 8.265 4.187 99 2HD PRO 11 1HD PRO 11 -1.691 9.668 4.108 100 HA PRO 12 HA PRO 12 -1.206 4.059 -0.020 101 1HB PRO 12 2HB PRO 12 1.046 2.508 0.205 102 2HB PRO 12 1HB PRO 12 0.834 3.729 -1.065 103 1HG PRO 12 2HG PRO 12 2.352 3.907 1.493 104 2HG PRO 12 1HG PRO 12 2.784 4.502 -0.117 105 1HD PRO 12 2HD PRO 12 1.822 6.117 1.827 106 2HD PRO 12 1HD PRO 12 1.517 6.408 0.100 107 H SER 13 H SER 13 -0.497 1.492 0.892 108 HA SER 13 HA SER 13 -0.441 1.232 3.766 109 1HB SER 13 2HB SER 13 -2.902 0.534 3.934 110 2HB SER 13 1HB SER 13 -2.604 2.257 3.723 111 HG SER 13 HG SER 13 -4.226 1.292 2.304 112 H ALA 14 H ALA 14 0.977 -0.204 1.864 113 HA ALA 14 HA ALA 14 1.563 -2.423 1.408 114 1HB ALA 14 1HB ALA 14 0.839 -3.957 2.928 115 2HB ALA 14 2HB ALA 14 -0.857 -3.665 2.540 116 3HB ALA 14 3HB ALA 14 -0.018 -2.607 3.675 117 H PHE 15 H PHE 15 -2.029 -2.578 1.341 118 HA PHE 15 HA PHE 15 -2.140 -3.922 -1.175 119 1HB PHE 15 2HB PHE 15 -3.953 -3.825 0.509 120 2HB PHE 15 1HB PHE 15 -4.148 -2.101 0.201 121 HD1 PHE 15 1HD PHE 15 -3.692 -5.085 -2.043 122 HD2 PHE 15 2HD PHE 15 -6.116 -1.699 -0.984 123 HE1 PHE 15 1HE PHE 15 -5.217 -5.586 -3.932 124 HE2 PHE 15 2HE PHE 15 -7.641 -2.201 -2.874 125 HZ PHE 15 HZ PHE 15 -7.191 -4.145 -4.349 126 H PHE 16 H PHE 16 -1.776 -0.522 -0.377 127 HA PHE 16 HA PHE 16 -2.616 0.524 -2.948 128 1HB PHE 16 2HB PHE 16 -2.317 1.615 -0.564 129 2HB PHE 16 1HB PHE 16 -0.657 1.875 -1.105 130 HD1 PHE 16 1HD PHE 16 -0.224 3.179 -3.211 131 HD2 PHE 16 2HD PHE 16 -4.123 2.920 -1.429 132 HE1 PHE 16 1HE PHE 16 -0.961 5.142 -4.537 133 HE2 PHE 16 2HE PHE 16 -4.860 4.881 -2.754 134 HZ PHE 16 HZ PHE 16 -3.279 5.993 -4.308 135 H LEU 17 H LEU 17 0.449 -0.636 -1.624 136 HA LEU 17 HA LEU 17 2.154 0.370 -3.739 137 1HB LEU 17 2HB LEU 17 2.246 -1.733 -1.595 138 2HB LEU 17 1HB LEU 17 3.467 -1.797 -2.864 139 HG LEU 17 HG LEU 17 4.263 -0.486 -0.927 140 1HD1 LEU 17 1HD1 LEU 17 3.703 1.485 -3.135 141 2HD1 LEU 17 2HD1 LEU 17 4.772 0.108 -3.404 142 3HD1 LEU 17 3HD1 LEU 17 5.163 1.299 -2.165 143 1HD2 LEU 17 1HD2 LEU 17 3.176 1.569 -0.260 144 2HD2 LEU 17 2HD2 LEU 17 1.956 0.296 -0.252 145 3HD2 LEU 17 3HD2 LEU 17 2.021 1.447 -1.587 146 H PHE 18 H PHE 18 1.407 -3.034 -3.149 147 HA PHE 18 HA PHE 18 1.805 -4.282 -5.536 148 1HB PHE 18 2HB PHE 18 0.933 -5.400 -3.573 149 2HB PHE 18 1HB PHE 18 -0.585 -4.510 -3.678 150 HD1 PHE 18 1HD PHE 18 -2.314 -5.152 -5.241 151 HD2 PHE 18 2HD PHE 18 1.474 -7.178 -5.217 152 HE1 PHE 18 1HE PHE 18 -3.262 -6.940 -6.674 153 HE2 PHE 18 2HE PHE 18 0.526 -8.966 -6.652 154 HZ PHE 18 HZ PHE 18 -1.844 -8.848 -7.378 155 H CYS 19 H CYS 19 -1.380 -2.665 -4.862 156 HA CYS 19 HA CYS 19 -2.363 -2.944 -7.530 157 1HB CYS 19 2HB CYS 19 -3.708 -2.460 -5.499 158 2HB CYS 19 1HB CYS 19 -2.964 -0.867 -5.398 159 HG CYS 19 HG CYS 19 -5.355 -1.425 -7.025 160 H SER 20 H SER 20 -0.622 -0.268 -5.940 161 HA SER 20 HA SER 20 -0.731 1.631 -8.048 162 1HB SER 20 2HB SER 20 1.160 1.035 -5.788 163 2HB SER 20 1HB SER 20 1.544 2.316 -6.930 164 HG SER 20 HG SER 20 -0.254 3.397 -6.331 165 H GLU 21 H GLU 21 1.366 -1.201 -7.651 166 HA GLU 21 HA GLU 21 3.032 -0.382 -9.957 167 1HB GLU 21 2HB GLU 21 4.322 -2.402 -9.338 168 2HB GLU 21 1HB GLU 21 4.054 -1.358 -7.944 169 1HG GLU 21 2HG GLU 21 2.411 -2.789 -7.039 170 2HG GLU 21 1HG GLU 21 2.171 -3.628 -8.571 171 H HIS 22 H HIS 22 0.350 -2.578 -9.250 172 HA HIS 22 HA HIS 22 0.660 -3.887 -11.911 173 1HB HIS 22 2HB HIS 22 -0.995 -4.391 -9.425 174 2HB HIS 22 1HB HIS 22 -1.211 -5.313 -10.912 175 HD1 HIS 22 1HD HIS 22 1.232 -6.338 -11.848 176 HD2 HIS 22 2HD HIS 22 0.871 -5.547 -7.773 177 HE1 HIS 22 1HE HIS 22 3.039 -7.685 -10.695 178 H ARG 23 H ARG 23 -0.494 -1.027 -11.165 179 HA ARG 23 HA ARG 23 -3.286 -1.229 -12.006 180 1HB ARG 23 2HB ARG 23 -2.479 0.396 -10.339 181 2HB ARG 23 1HB ARG 23 -1.452 1.144 -11.556 182 1HG ARG 23 2HG ARG 23 -3.316 1.915 -12.815 183 2HG ARG 23 1HG ARG 23 -4.433 0.866 -11.942 184 1HD ARG 23 2HD ARG 23 -4.721 3.103 -11.055 185 2HD ARG 23 1HD ARG 23 -3.821 2.183 -9.833 186 HE ARG 23 HE ARG 23 -1.793 3.315 -10.523 187 1HH1 ARG 23 1HH2 ARG 23 -3.669 5.651 -10.293 188 2HH1 ARG 23 2HH2 ARG 23 -3.400 6.475 -11.793 189 1HH2 ARG 23 1HH1 ARG 23 -1.852 3.768 -13.308 190 2HH2 ARG 23 2HH1 ARG 23 -2.372 5.409 -13.500 191 HA PRO 24 HA PRO 24 -1.585 0.812 -15.969 192 1HB PRO 24 2HB PRO 24 1.088 0.666 -16.512 193 2HB PRO 24 1HB PRO 24 0.352 2.016 -15.625 194 1HG PRO 24 2HG PRO 24 1.899 -0.298 -14.603 195 2HG PRO 24 1HG PRO 24 1.856 1.377 -14.034 196 1HD PRO 24 2HD PRO 24 0.544 -0.716 -12.836 197 2HD PRO 24 1HD PRO 24 0.093 0.991 -12.664 198 H LYS 25 H LYS 25 -0.709 -2.238 -14.709 199 HA LYS 25 HA LYS 25 0.019 -3.454 -17.298 200 1HB LYS 25 2HB LYS 25 1.017 -4.027 -15.045 201 2HB LYS 25 1HB LYS 25 -0.545 -4.711 -14.596 202 1HG LYS 25 2HG LYS 25 -0.410 -6.251 -16.539 203 2HG LYS 25 1HG LYS 25 1.182 -5.596 -16.926 204 1HD LYS 25 2HD LYS 25 1.837 -6.226 -14.517 205 2HD LYS 25 1HD LYS 25 0.362 -7.194 -14.500 206 1HE LYS 25 2HE LYS 25 2.343 -7.482 -16.760 207 2HE LYS 25 1HE LYS 25 2.562 -8.373 -15.241 208 1HZ LYS 25 1HZ LYS 25 1.197 -9.651 -16.766 209 2HZ LYS 25 2HZ LYS 25 0.108 -8.357 -16.921 210 3HZ LYS 25 3HZ LYS 25 0.271 -9.160 -15.432 211 H ILE 26 H ILE 26 -2.716 -3.408 -15.025 212 HA ILE 26 HA ILE 26 -4.299 -5.367 -16.485 213 HB ILE 26 HB ILE 26 -5.024 -3.263 -14.418 214 1HG1 ILE 26 2HG1 ILE 26 -3.284 -4.836 -13.647 215 2HG1 ILE 26 1HG1 ILE 26 -4.802 -5.126 -12.805 216 1HG2 ILE 26 1HG2 ILE 26 -7.120 -3.900 -15.098 217 2HG2 ILE 26 2HG2 ILE 26 -6.792 -5.260 -14.024 218 3HG2 ILE 26 3HG2 ILE 26 -6.554 -5.432 -15.763 219 1HD1 ILE 26 1HD1 ILE 26 -5.296 -6.938 -14.496 220 2HD1 ILE 26 2HD1 ILE 26 -3.913 -7.275 -13.455 221 3HD1 ILE 26 3HD1 ILE 26 -3.655 -6.724 -15.109 222 H LYS 27 H LYS 27 -3.766 -1.929 -16.779 223 HA LYS 27 HA LYS 27 -6.227 -1.346 -18.259 224 1HB LYS 27 2HB LYS 27 -3.600 0.093 -17.780 225 2HB LYS 27 1HB LYS 27 -4.948 0.811 -18.662 226 1HG LYS 27 2HG LYS 27 -6.402 0.356 -16.651 227 2HG LYS 27 1HG LYS 27 -4.945 -0.124 -15.781 228 1HD LYS 27 2HD LYS 27 -5.303 2.183 -15.251 229 2HD LYS 27 1HD LYS 27 -3.974 2.148 -16.410 230 1HE LYS 27 2HE LYS 27 -5.395 2.836 -18.212 231 2HE LYS 27 1HE LYS 27 -6.860 2.544 -17.254 232 1HZ LYS 27 1HZ LYS 27 -4.730 4.502 -16.575 233 2HZ LYS 27 2HZ LYS 27 -6.150 4.224 -15.685 234 3HZ LYS 27 3HZ LYS 27 -6.238 4.898 -17.242 235 H SER 28 H SER 28 -3.077 -2.628 -19.053 236 HA SER 28 HA SER 28 -3.066 -1.841 -21.862 237 1HB SER 28 2HB SER 28 -1.599 -3.983 -20.286 238 2HB SER 28 1HB SER 28 -1.189 -3.491 -21.926 239 HG SER 28 HG SER 28 -0.020 -2.443 -20.129 240 H GLU 29 H GLU 29 -3.768 -4.878 -20.117 241 HA GLU 29 HA GLU 29 -4.755 -6.197 -22.564 242 1HB GLU 29 2HB GLU 29 -4.565 -6.949 -19.634 243 2HB GLU 29 1HB GLU 29 -5.165 -8.046 -20.879 244 1HG GLU 29 2HG GLU 29 -2.475 -6.686 -21.104 245 2HG GLU 29 1HG GLU 29 -2.674 -8.240 -20.295 246 H HIS 30 H HIS 30 -6.124 -3.860 -20.741 247 HA HIS 30 HA HIS 30 -8.866 -4.705 -21.407 248 1HB HIS 30 2HB HIS 30 -8.002 -4.103 -18.554 249 2HB HIS 30 1HB HIS 30 -9.655 -4.384 -19.080 250 HD1 HIS 30 1HD HIS 30 -10.380 -6.801 -19.539 251 HD2 HIS 30 2HD HIS 30 -6.351 -6.451 -18.555 252 HE1 HIS 30 1HE HIS 30 -9.548 -9.152 -19.093 253 HA PRO 31 HA PRO 31 -7.923 -0.208 -21.865 254 1HB PRO 31 2HB PRO 31 -9.401 0.104 -24.160 255 2HB PRO 31 1HB PRO 31 -7.707 -0.426 -24.162 256 1HG PRO 31 2HG PRO 31 -10.197 -2.060 -24.372 257 2HG PRO 31 1HG PRO 31 -8.679 -2.202 -25.275 258 1HD PRO 31 2HD PRO 31 -9.271 -3.838 -23.210 259 2HD PRO 31 1HD PRO 31 -7.607 -3.319 -23.559 260 H GLY 32 H GLY 32 -9.203 1.151 -20.677 261 1HA GLY 32 2HA GLY 32 -11.271 2.320 -20.224 262 2HA GLY 32 1HA GLY 32 -12.158 0.974 -20.941 263 H LEU 33 H LEU 33 -10.309 -0.893 -19.326 264 HA LEU 33 HA LEU 33 -11.997 -1.633 -17.237 265 1HB LEU 33 2HB LEU 33 -9.797 -2.611 -18.285 266 2HB LEU 33 1HB LEU 33 -9.002 -1.769 -16.964 267 HG LEU 33 HG LEU 33 -9.494 -4.115 -16.378 268 1HD1 LEU 33 1HD1 LEU 33 -11.338 -2.306 -14.816 269 2HD1 LEU 33 2HD1 LEU 33 -9.581 -2.202 -14.695 270 3HD1 LEU 33 3HD1 LEU 33 -10.410 -3.686 -14.232 271 1HD2 LEU 33 1HD2 LEU 33 -11.668 -4.028 -17.854 272 2HD2 LEU 33 2HD2 LEU 33 -12.430 -3.467 -16.366 273 3HD2 LEU 33 3HD2 LEU 33 -11.640 -5.043 -16.412 274 H SER 34 H SER 34 -12.799 -0.043 -15.876 275 HA SER 34 HA SER 34 -11.445 2.192 -14.777 276 1HB SER 34 2HB SER 34 -13.262 1.880 -12.961 277 2HB SER 34 1HB SER 34 -13.811 2.054 -14.626 278 HG SER 34 HG SER 34 -14.834 0.286 -13.713 279 H ILE 35 H ILE 35 -11.379 2.199 -12.102 280 HA ILE 35 HA ILE 35 -9.184 0.315 -11.445 281 HB ILE 35 HB ILE 35 -10.387 2.679 -9.967 282 1HG1 ILE 35 2HG1 ILE 35 -9.443 3.330 -12.154 283 2HG1 ILE 35 1HG1 ILE 35 -8.436 3.931 -10.839 284 1HG2 ILE 35 1HG2 ILE 35 -7.959 2.598 -8.972 285 2HG2 ILE 35 2HG2 ILE 35 -8.006 0.912 -9.486 286 3HG2 ILE 35 3HG2 ILE 35 -9.197 1.515 -8.333 287 1HD1 ILE 35 1HD1 ILE 35 -7.020 2.962 -12.588 288 2HD1 ILE 35 2HD1 ILE 35 -7.912 1.443 -12.497 289 3HD1 ILE 35 3HD1 ILE 35 -6.927 1.970 -11.133 290 H GLY 36 H GLY 36 -12.298 -0.274 -11.446 291 1HA GLY 36 2HA GLY 36 -12.546 -1.171 -8.619 292 2HA GLY 36 1HA GLY 36 -13.878 -1.056 -9.771 293 H ASP 37 H ASP 37 -13.058 -2.435 -11.931 294 HA ASP 37 HA ASP 37 -13.347 -5.181 -11.179 295 1HB ASP 37 2HB ASP 37 -12.333 -3.870 -13.718 296 2HB ASP 37 1HB ASP 37 -12.846 -5.550 -13.597 297 H THR 38 H THR 38 -10.444 -3.376 -12.302 298 HA THR 38 HA THR 38 -8.655 -5.622 -12.091 299 HB THR 38 HB THR 38 -8.201 -3.611 -13.434 300 HG1 THR 38 1HG THR 38 -6.064 -3.259 -12.649 301 1HG2 THR 38 1HG2 THR 38 -9.183 -1.864 -12.116 302 2HG2 THR 38 2HG2 THR 38 -7.454 -1.528 -12.205 303 3HG2 THR 38 3HG2 THR 38 -8.141 -2.235 -10.743 304 H ALA 39 H ALA 39 -9.817 -3.224 -9.800 305 HA ALA 39 HA ALA 39 -7.911 -3.708 -7.689 306 1HB ALA 39 1HB ALA 39 -9.244 -1.744 -7.579 307 2HB ALA 39 2HB ALA 39 -9.922 -2.780 -6.324 308 3HB ALA 39 3HB ALA 39 -10.733 -2.638 -7.884 309 H LYS 40 H LYS 40 -10.809 -5.342 -8.798 310 HA LYS 40 HA LYS 40 -11.130 -7.037 -6.433 311 1HB LYS 40 2HB LYS 40 -12.241 -6.969 -9.252 312 2HB LYS 40 1HB LYS 40 -12.704 -8.216 -8.093 313 1HG LYS 40 2HG LYS 40 -13.483 -6.492 -6.522 314 2HG LYS 40 1HG LYS 40 -12.994 -5.230 -7.651 315 1HD LYS 40 2HD LYS 40 -15.148 -5.375 -8.378 316 2HD LYS 40 1HD LYS 40 -14.558 -6.778 -9.269 317 1HE LYS 40 2HE LYS 40 -15.363 -7.262 -6.438 318 2HE LYS 40 1HE LYS 40 -16.668 -6.944 -7.599 319 1HZ LYS 40 1HZ LYS 40 -15.541 -8.565 -9.105 320 2HZ LYS 40 2HZ LYS 40 -16.200 -9.258 -7.701 321 3HZ LYS 40 3HZ LYS 40 -14.526 -8.988 -7.814 322 H LYS 41 H LYS 41 -9.530 -7.229 -9.580 323 HA LYS 41 HA LYS 41 -8.810 -10.070 -9.269 324 1HB LYS 41 2HB LYS 41 -9.265 -8.478 -11.382 325 2HB LYS 41 1HB LYS 41 -7.522 -8.234 -11.245 326 1HG LYS 41 2HG LYS 41 -7.128 -10.634 -11.378 327 2HG LYS 41 1HG LYS 41 -8.863 -10.949 -11.377 328 1HD LYS 41 2HD LYS 41 -8.324 -11.048 -13.660 329 2HD LYS 41 1HD LYS 41 -8.907 -9.395 -13.470 330 1HE LYS 41 2HE LYS 41 -6.407 -8.803 -13.003 331 2HE LYS 41 1HE LYS 41 -6.068 -10.360 -13.784 332 1HZ LYS 41 1HZ LYS 41 -7.740 -8.177 -14.913 333 2HZ LYS 41 2HZ LYS 41 -7.462 -9.685 -15.647 334 3HZ LYS 41 3HZ LYS 41 -6.179 -8.592 -15.430 335 H LEU 42 H LEU 42 -7.468 -6.956 -8.478 336 HA LEU 42 HA LEU 42 -4.677 -7.831 -8.259 337 1HB LEU 42 2HB LEU 42 -6.331 -5.411 -7.942 338 2HB LEU 42 1HB LEU 42 -4.994 -5.503 -6.798 339 HG LEU 42 HG LEU 42 -3.438 -5.919 -8.695 340 1HD1 LEU 42 1HD1 LEU 42 -5.408 -6.799 -10.157 341 2HD1 LEU 42 2HD1 LEU 42 -4.144 -5.851 -10.942 342 3HD1 LEU 42 3HD1 LEU 42 -5.683 -5.097 -10.530 343 1HD2 LEU 42 1HD2 LEU 42 -5.004 -3.441 -9.344 344 2HD2 LEU 42 2HD2 LEU 42 -3.256 -3.657 -9.235 345 3HD2 LEU 42 3HD2 LEU 42 -4.232 -3.597 -7.767 346 H GLY 43 H GLY 43 -7.120 -6.733 -5.884 347 1HA GLY 43 2HA GLY 43 -5.801 -7.448 -3.513 348 2HA GLY 43 1HA GLY 43 -7.557 -7.448 -3.680 349 H GLU 44 H GLU 44 -7.340 -9.530 -5.865 350 HA GLU 44 HA GLU 44 -7.558 -11.892 -4.188 351 1HB GLU 44 2HB GLU 44 -8.735 -11.344 -6.401 352 2HB GLU 44 1HB GLU 44 -7.209 -11.730 -7.198 353 1HG GLU 44 2HG GLU 44 -7.268 -13.971 -6.026 354 2HG GLU 44 1HG GLU 44 -8.905 -13.575 -5.499 355 H MET 45 H MET 45 -5.127 -10.605 -6.460 356 HA MET 45 HA MET 45 -3.278 -12.838 -6.083 357 1HB MET 45 2HB MET 45 -3.427 -10.231 -7.532 358 2HB MET 45 1HB MET 45 -1.818 -10.886 -7.232 359 1HG MET 45 2HG MET 45 -2.573 -13.055 -8.236 360 2HG MET 45 1HG MET 45 -4.103 -12.281 -8.654 361 1HE MET 45 1HE MET 45 -4.604 -11.570 -10.612 362 2HE MET 45 2HE MET 45 -3.658 -10.685 -11.806 363 3HE MET 45 3HE MET 45 -4.107 -9.902 -10.294 364 H TRP 46 H TRP 46 -3.613 -9.508 -4.857 365 HA TRP 46 HA TRP 46 -1.162 -9.246 -3.444 366 1HB TRP 46 2HB TRP 46 -2.742 -7.425 -3.794 367 2HB TRP 46 1HB TRP 46 -3.976 -8.247 -2.847 368 HD1 TRP 46 HD TRP 46 -4.174 -7.173 -0.544 369 HE1 TRP 46 1HE TRP 46 -2.535 -6.165 1.173 370 HE3 TRP 46 3HE TRP 46 0.200 -7.709 -3.100 371 HZ2 TRP 46 2HZ TRP 46 0.274 -5.655 1.423 372 HZ3 TRP 46 3HZ TRP 46 2.344 -6.956 -2.108 373 HH2 TRP 46 HH TRP 46 2.385 -5.936 0.144 374 H SER 47 H SER 47 -4.303 -10.530 -2.266 375 HA SER 47 HA SER 47 -3.334 -11.329 0.324 376 1HB SER 47 2HB SER 47 -5.725 -10.950 -0.504 377 2HB SER 47 1HB SER 47 -5.612 -12.532 -1.270 378 HG SER 47 HG SER 47 -6.405 -12.195 1.084 379 H GLU 48 H GLU 48 -2.691 -12.632 -2.782 380 HA GLU 48 HA GLU 48 -2.198 -15.367 -1.730 381 1HB GLU 48 2HB GLU 48 -2.585 -14.062 -4.419 382 2HB GLU 48 1HB GLU 48 -1.838 -15.655 -4.306 383 1HG GLU 48 2HG GLU 48 -4.423 -15.105 -2.870 384 2HG GLU 48 1HG GLU 48 -4.434 -15.496 -4.590 385 H GLN 49 H GLN 49 -0.547 -12.425 -2.355 386 HA GLN 49 HA GLN 49 1.961 -13.536 -3.303 387 1HB GLN 49 2HB GLN 49 0.761 -10.973 -2.687 388 2HB GLN 49 1HB GLN 49 2.343 -11.062 -1.927 389 1HG GLN 49 2HG GLN 49 2.565 -10.165 -4.187 390 2HG GLN 49 1HG GLN 49 3.326 -11.752 -4.103 391 1HE2 GLN 49 1HE2 GLN 49 0.187 -10.222 -4.998 392 2HE2 GLN 49 2HE2 GLN 49 -0.184 -11.350 -6.210 393 H SER 50 H SER 50 3.775 -14.058 -2.052 394 HA SER 50 HA SER 50 3.247 -14.585 0.825 395 1HB SER 50 2HB SER 50 5.216 -16.083 0.557 396 2HB SER 50 1HB SER 50 3.989 -16.417 -0.662 397 HG SER 50 HG SER 50 5.266 -15.631 -2.174 398 H ALA 51 H ALA 51 6.605 -14.287 0.044 399 HA ALA 51 HA ALA 51 6.677 -11.656 1.457 400 1HB ALA 51 1HB ALA 51 8.618 -13.957 1.100 401 2HB ALA 51 2HB ALA 51 7.870 -13.399 2.597 402 3HB ALA 51 3HB ALA 51 9.103 -12.415 1.807 403 H LYS 52 H LYS 52 7.493 -13.292 -1.536 404 HA LYS 52 HA LYS 52 9.481 -11.605 -2.623 405 1HB LYS 52 2HB LYS 52 8.312 -13.799 -3.445 406 2HB LYS 52 1HB LYS 52 7.193 -12.697 -4.249 407 1HG LYS 52 2HG LYS 52 9.322 -11.533 -5.161 408 2HG LYS 52 1HG LYS 52 10.158 -13.013 -4.692 409 1HD LYS 52 2HD LYS 52 8.812 -14.348 -6.147 410 2HD LYS 52 1HD LYS 52 7.675 -13.027 -6.417 411 1HE LYS 52 2HE LYS 52 10.577 -12.675 -7.154 412 2HE LYS 52 1HE LYS 52 9.465 -13.503 -8.263 413 1HZ LYS 52 1HZ LYS 52 9.006 -10.834 -7.035 414 2HZ LYS 52 2HZ LYS 52 7.948 -11.635 -8.095 415 3HZ LYS 52 3HZ LYS 52 9.465 -11.103 -8.645 416 H ASP 53 H ASP 53 5.918 -11.288 -2.998 417 HA ASP 53 HA ASP 53 6.366 -8.395 -3.669 418 1HB ASP 53 2HB ASP 53 4.732 -10.573 -4.872 419 2HB ASP 53 1HB ASP 53 4.002 -8.968 -4.817 420 H LYS 54 H LYS 54 6.138 -8.658 -1.104 421 HA LYS 54 HA LYS 54 3.598 -7.484 -0.376 422 1HB LYS 54 2HB LYS 54 3.570 -10.185 -0.605 423 2HB LYS 54 1HB LYS 54 4.050 -10.017 1.077 424 1HG LYS 54 2HG LYS 54 2.088 -8.342 1.271 425 2HG LYS 54 1HG LYS 54 1.549 -8.994 -0.271 426 1HD LYS 54 2HD LYS 54 0.396 -10.299 1.308 427 2HD LYS 54 1HD LYS 54 1.773 -11.304 0.863 428 1HE LYS 54 2HE LYS 54 3.003 -10.560 2.859 429 2HE LYS 54 1HE LYS 54 1.654 -9.496 3.303 430 1HZ LYS 54 1HZ LYS 54 1.486 -11.650 4.419 431 2HZ LYS 54 2HZ LYS 54 1.469 -12.439 2.914 432 3HZ LYS 54 3HZ LYS 54 0.190 -11.410 3.352 433 H GLN 55 H GLN 55 6.656 -8.954 0.652 434 HA GLN 55 HA GLN 55 6.589 -7.888 3.358 435 1HB GLN 55 2HB GLN 55 8.434 -9.366 1.555 436 2HB GLN 55 1HB GLN 55 9.187 -8.473 2.876 437 1HG GLN 55 2HG GLN 55 6.883 -10.410 3.238 438 2HG GLN 55 1HG GLN 55 8.578 -10.836 3.478 439 1HE2 GLN 55 1HE2 GLN 55 5.823 -9.351 4.961 440 2HE2 GLN 55 2HE2 GLN 55 6.601 -8.821 6.373 441 HA PRO 56 HA PRO 56 9.622 -4.635 1.631 442 1HB PRO 56 2HB PRO 56 9.911 -4.367 -1.073 443 2HB PRO 56 1HB PRO 56 10.915 -5.454 -0.095 444 1HG PRO 56 2HG PRO 56 8.599 -6.080 -1.843 445 2HG PRO 56 1HG PRO 56 10.078 -7.006 -1.549 446 1HD PRO 56 2HD PRO 56 7.647 -7.566 -0.420 447 2HD PRO 56 1HD PRO 56 9.207 -8.050 0.276 448 H TYR 57 H TYR 57 6.486 -5.239 0.356 449 HA TYR 57 HA TYR 57 6.063 -2.489 -0.634 450 1HB TYR 57 2HB TYR 57 4.435 -5.022 -0.395 451 2HB TYR 57 1HB TYR 57 3.691 -3.498 -0.879 452 HD1 TYR 57 1HD TYR 57 5.509 -2.167 -2.599 453 HD2 TYR 57 2HD TYR 57 4.837 -6.389 -2.227 454 HE1 TYR 57 1HE TYR 57 6.341 -2.502 -4.911 455 HE2 TYR 57 2HE TYR 57 5.667 -6.727 -4.539 456 HH TYR 57 HH TYR 57 7.469 -4.674 -6.160 457 H GLU 58 H GLU 58 5.252 -4.480 2.189 458 HA GLU 58 HA GLU 58 3.469 -2.489 3.369 459 1HB GLU 58 2HB GLU 58 3.622 -4.023 5.334 460 2HB GLU 58 1HB GLU 58 3.240 -4.874 3.840 461 1HG GLU 58 2HG GLU 58 5.165 -6.067 3.898 462 2HG GLU 58 1HG GLU 58 6.124 -4.648 4.310 463 H GLN 59 H GLN 59 6.927 -3.047 3.338 464 HA GLN 59 HA GLN 59 7.420 -1.303 5.677 465 1HB GLN 59 2HB GLN 59 9.204 -2.731 3.682 466 2HB GLN 59 1HB GLN 59 9.788 -1.872 5.106 467 1HG GLN 59 2HG GLN 59 7.738 -4.080 5.311 468 2HG GLN 59 1HG GLN 59 9.470 -4.411 5.349 469 1HE2 GLN 59 1HE2 GLN 59 6.806 -2.906 7.132 470 2HE2 GLN 59 2HE2 GLN 59 7.669 -2.680 8.577 471 H LYS 60 H LYS 60 6.921 -0.964 2.299 472 HA LYS 60 HA LYS 60 8.578 1.481 2.027 473 1HB LYS 60 2HB LYS 60 8.177 -0.442 0.297 474 2HB LYS 60 1HB LYS 60 6.622 0.345 0.026 475 1HG LYS 60 2HG LYS 60 7.771 2.460 -0.498 476 2HG LYS 60 1HG LYS 60 9.330 1.685 -0.216 477 1HD LYS 60 2HD LYS 60 8.575 -0.032 -1.999 478 2HD LYS 60 1HD LYS 60 7.352 1.163 -2.431 479 1HE LYS 60 2HE LYS 60 8.945 2.722 -3.163 480 2HE LYS 60 1HE LYS 60 10.242 1.993 -2.197 481 1HZ LYS 60 1HZ LYS 60 10.110 0.010 -3.565 482 2HZ LYS 60 2HZ LYS 60 10.432 1.366 -4.535 483 3HZ LYS 60 3HZ LYS 60 8.870 0.698 -4.495 484 H ALA 61 H ALA 61 5.232 0.409 2.317 485 HA ALA 61 HA ALA 61 4.116 3.113 1.969 486 1HB ALA 61 1HB ALA 61 2.143 1.946 1.769 487 2HB ALA 61 2HB ALA 61 2.529 0.875 3.114 488 3HB ALA 61 3HB ALA 61 3.226 0.577 1.522 489 H ALA 62 H ALA 62 4.984 0.865 4.547 490 HA ALA 62 HA ALA 62 3.634 2.073 6.750 491 1HB ALA 62 1HB ALA 62 6.213 0.523 6.410 492 2HB ALA 62 2HB ALA 62 4.662 -0.063 7.013 493 3HB ALA 62 3HB ALA 62 5.640 1.022 8.001 494 H LYS 63 H LYS 63 7.103 2.556 5.787 495 HA LYS 63 HA LYS 63 7.497 4.807 7.524 496 1HB LYS 63 2HB LYS 63 9.104 3.187 6.191 497 2HB LYS 63 1HB LYS 63 8.968 4.416 4.933 498 1HG LYS 63 2HG LYS 63 9.723 6.142 6.504 499 2HG LYS 63 1HG LYS 63 9.808 4.946 7.799 500 1HD LYS 63 2HD LYS 63 11.413 3.649 6.257 501 2HD LYS 63 1HD LYS 63 11.521 5.141 5.320 502 1HE LYS 63 2HE LYS 63 13.309 5.377 6.839 503 2HE LYS 63 1HE LYS 63 12.004 6.241 7.676 504 1HZ LYS 63 1HZ LYS 63 11.443 4.251 8.870 505 2HZ LYS 63 2HZ LYS 63 13.097 4.568 9.100 506 3HZ LYS 63 3HZ LYS 63 12.603 3.351 8.021 507 H LEU 64 H LEU 64 5.800 4.526 4.522 508 HA LEU 64 HA LEU 64 6.174 7.320 3.683 509 1HB LEU 64 2HB LEU 64 4.720 4.860 2.791 510 2HB LEU 64 1HB LEU 64 4.117 6.414 2.214 511 HG LEU 64 HG LEU 64 7.012 5.546 1.996 512 1HD1 LEU 64 1HD1 LEU 64 5.159 4.249 0.653 513 2HD1 LEU 64 2HD1 LEU 64 6.612 4.801 -0.180 514 3HD1 LEU 64 3HD1 LEU 64 5.111 5.716 -0.325 515 1HD2 LEU 64 1HD2 LEU 64 6.884 7.422 0.210 516 2HD2 LEU 64 2HD2 LEU 64 6.908 7.909 1.904 517 3HD2 LEU 64 3HD2 LEU 64 5.386 7.893 1.012 518 H LYS 65 H LYS 65 3.771 5.340 5.358 519 HA LYS 65 HA LYS 65 1.675 7.306 5.523 520 1HB LYS 65 2HB LYS 65 1.364 4.896 5.900 521 2HB LYS 65 1HB LYS 65 2.451 4.947 7.288 522 1HG LYS 65 2HG LYS 65 0.914 6.137 8.605 523 2HG LYS 65 1HG LYS 65 0.020 6.725 7.203 524 1HD LYS 65 2HD LYS 65 -1.366 5.032 8.115 525 2HD LYS 65 1HD LYS 65 -0.554 4.252 6.756 526 1HE LYS 65 2HE LYS 65 1.174 3.377 8.367 527 2HE LYS 65 1HE LYS 65 0.183 4.017 9.693 528 1HZ LYS 65 1HZ LYS 65 -1.706 2.765 8.814 529 2HZ LYS 65 2HZ LYS 65 -0.426 1.730 9.232 530 3HZ LYS 65 3HZ LYS 65 -0.721 2.107 7.602 531 H GLU 66 H GLU 66 4.239 6.338 7.811 532 HA GLU 66 HA GLU 66 3.714 8.171 9.907 533 1HB GLU 66 2HB GLU 66 5.344 6.228 9.811 534 2HB GLU 66 1HB GLU 66 6.434 7.279 8.905 535 1HG GLU 66 2HG GLU 66 6.450 8.889 10.769 536 2HG GLU 66 1HG GLU 66 5.344 7.857 11.676 537 H LYS 67 H LYS 67 5.278 8.681 6.793 538 HA LYS 67 HA LYS 67 6.468 11.256 7.409 539 1HB LYS 67 2HB LYS 67 5.862 9.573 5.006 540 2HB LYS 67 1HB LYS 67 6.256 11.273 4.743 541 1HG LYS 67 2HG LYS 67 8.218 10.669 6.472 542 2HG LYS 67 1HG LYS 67 7.975 9.067 5.773 543 1HD LYS 67 2HD LYS 67 8.318 11.543 4.070 544 2HD LYS 67 1HD LYS 67 9.683 10.551 4.585 545 1HE LYS 67 2HE LYS 67 8.717 8.584 3.482 546 2HE LYS 67 1HE LYS 67 7.285 9.526 3.021 547 1HZ LYS 67 1HZ LYS 67 8.726 11.073 1.846 548 2HZ LYS 67 2HZ LYS 67 8.918 9.502 1.229 549 3HZ LYS 67 3HZ LYS 67 10.091 10.160 2.267 550 H TYR 68 H TYR 68 3.309 10.174 6.301 551 HA TYR 68 HA TYR 68 2.286 12.709 5.372 552 1HB TYR 68 2HB TYR 68 1.407 10.346 4.994 553 2HB TYR 68 1HB TYR 68 0.783 10.396 6.638 554 HD1 TYR 68 1HD TYR 68 0.896 12.909 3.843 555 HD2 TYR 68 2HD TYR 68 -1.522 10.700 6.624 556 HE1 TYR 68 1HE TYR 68 -1.125 14.096 3.030 557 HE2 TYR 68 2HE TYR 68 -3.541 11.888 5.812 558 HH TYR 68 HH TYR 68 -4.051 13.146 3.311 559 H GLU 69 H GLU 69 2.376 11.100 8.511 560 HA GLU 69 HA GLU 69 0.654 12.776 10.019 561 1HB GLU 69 2HB GLU 69 3.215 11.330 10.775 562 2HB GLU 69 1HB GLU 69 2.032 11.940 11.933 563 1HG GLU 69 2HG GLU 69 0.358 10.537 10.399 564 2HG GLU 69 1HG GLU 69 1.829 9.626 10.057 565 H LYS 70 H LYS 70 4.114 13.162 9.234 566 HA LYS 70 HA LYS 70 4.344 15.665 10.759 567 1HB LYS 70 2HB LYS 70 6.061 13.886 9.054 568 2HB LYS 70 1HB LYS 70 6.597 15.543 9.336 569 1HG LYS 70 2HG LYS 70 7.560 14.479 11.160 570 2HG LYS 70 1HG LYS 70 6.009 14.957 11.853 571 1HD LYS 70 2HD LYS 70 5.084 12.727 11.289 572 2HD LYS 70 1HD LYS 70 6.659 12.250 10.651 573 1HE LYS 70 2HE LYS 70 6.381 13.282 13.480 574 2HE LYS 70 1HE LYS 70 6.143 11.566 13.093 575 1HZ LYS 70 1HZ LYS 70 8.459 11.948 13.571 576 2HZ LYS 70 2HZ LYS 70 8.531 13.210 12.437 577 3HZ LYS 70 3HZ LYS 70 8.289 11.611 11.918 578 H ASP 71 H ASP 71 4.068 14.606 7.392 579 HA ASP 71 HA ASP 71 4.397 17.132 6.089 580 1HB ASP 71 2HB ASP 71 3.329 14.429 5.550 581 2HB ASP 71 1HB ASP 71 2.618 15.692 4.551 582 H ILE 72 H ILE 72 1.407 15.396 6.997 583 HA ILE 72 HA ILE 72 -0.429 17.485 6.356 584 HB ILE 72 HB ILE 72 -0.409 15.109 8.232 585 1HG1 ILE 72 2HG1 ILE 72 -0.489 14.744 5.786 586 2HG1 ILE 72 1HG1 ILE 72 -1.969 14.203 6.574 587 1HG2 ILE 72 1HG2 ILE 72 -2.967 15.484 8.321 588 2HG2 ILE 72 2HG2 ILE 72 -2.613 17.151 7.870 589 3HG2 ILE 72 3HG2 ILE 72 -1.972 16.489 9.373 590 1HD1 ILE 72 1HD1 ILE 72 -3.179 15.570 5.256 591 2HD1 ILE 72 2HD1 ILE 72 -1.702 16.103 4.458 592 3HD1 ILE 72 3HD1 ILE 72 -2.297 16.965 5.876 593 H ALA 73 H ALA 73 1.449 16.836 9.299 594 HA ALA 73 HA ALA 73 0.245 18.633 11.118 595 1HB ALA 73 1HB ALA 73 2.058 16.946 11.540 596 2HB ALA 73 2HB ALA 73 2.398 18.521 12.259 597 3HB ALA 73 3HB ALA 73 3.201 18.041 10.764 598 H ALA 74 H ALA 74 2.854 19.294 8.756 599 HA ALA 74 HA ALA 74 3.176 22.078 9.421 600 1HB ALA 74 1HB ALA 74 4.870 20.784 8.245 601 2HB ALA 74 2HB ALA 74 4.340 22.093 7.189 602 3HB ALA 74 3HB ALA 74 3.750 20.453 6.923 603 H TYR 75 H TYR 75 0.796 20.374 7.539 604 HA TYR 75 HA TYR 75 -0.168 22.916 6.298 605 1HB TYR 75 2HB TYR 75 0.351 20.912 4.891 606 2HB TYR 75 1HB TYR 75 -0.892 20.016 5.764 607 HD1 TYR 75 1HD TYR 75 -0.277 22.926 3.537 608 HD2 TYR 75 2HD TYR 75 -3.220 20.331 5.287 609 HE1 TYR 75 1HE TYR 75 -2.005 23.869 2.029 610 HE2 TYR 75 2HE TYR 75 -4.948 21.275 3.780 611 HH TYR 75 HH TYR 75 -4.733 22.510 1.284 612 H ARG 76 H ARG 76 -0.747 20.901 8.958 613 HA ARG 76 HA ARG 76 -3.607 20.808 9.101 614 1HB ARG 76 2HB ARG 76 -1.729 19.638 10.476 615 2HB ARG 76 1HB ARG 76 -1.768 21.091 11.476 616 1HG ARG 76 2HG ARG 76 -4.089 20.757 12.014 617 2HG ARG 76 1HG ARG 76 -4.236 19.463 10.825 618 1HD ARG 76 2HD ARG 76 -2.246 19.245 13.088 619 2HD ARG 76 1HD ARG 76 -3.939 18.757 13.305 620 HE ARG 76 HE ARG 76 -2.509 17.704 10.926 621 1HH1 ARG 76 1HH1 ARG 76 -1.465 16.391 13.398 622 2HH1 ARG 76 2HH1 ARG 76 -2.547 15.052 13.587 623 1HH2 ARG 76 1HH2 ARG 76 -4.949 16.346 11.446 624 2HH2 ARG 76 2HH2 ARG 76 -4.519 15.026 12.482 625 H ALA 77 H ALA 77 -1.422 22.986 10.935 626 HA ALA 77 HA ALA 77 -3.609 25.032 10.929 627 1HB ALA 77 1HB ALA 77 -3.267 24.286 13.145 628 2HB ALA 77 2HB ALA 77 -2.306 25.761 13.053 629 3HB ALA 77 3HB ALA 77 -1.521 24.187 12.927 630 H LYS 78 H LYS 78 -0.162 25.202 11.697 631 HA LYS 78 HA LYS 78 1.523 26.690 10.963 632 1HB LYS 78 2HB LYS 78 0.922 25.208 8.947 633 2HB LYS 78 1HB LYS 78 0.010 26.593 8.345 634 1HG LYS 78 2HG LYS 78 1.959 27.948 8.200 635 2HG LYS 78 1HG LYS 78 2.904 26.826 9.181 636 1HD LYS 78 2HD LYS 78 2.982 25.206 7.437 637 2HD LYS 78 1HD LYS 78 1.718 26.025 6.519 638 1HE LYS 78 2HE LYS 78 3.830 26.568 5.461 639 2HE LYS 78 1HE LYS 78 3.315 28.018 6.345 640 1HZ LYS 78 1HZ LYS 78 4.620 27.258 8.248 641 2HZ LYS 78 2HZ LYS 78 5.604 27.484 6.882 642 3HZ LYS 78 3HZ LYS 78 5.155 25.916 7.361 Start of MODEL 15 1 1H MET 1 1HT MET 1 -12.290 20.635 -6.417 2 2H MET 1 2HT MET 1 -11.662 21.352 -5.010 3 3H MET 1 3HT MET 1 -12.371 19.810 -4.937 4 HA MET 1 HA MET 1 -10.593 18.907 -6.335 5 1HB MET 1 2HB MET 1 -9.864 21.840 -6.245 6 2HB MET 1 1HB MET 1 -8.675 20.609 -6.671 7 1HG MET 1 2HG MET 1 -10.351 19.782 -8.411 8 2HG MET 1 1HG MET 1 -11.255 21.265 -8.105 9 1HE MET 1 1HE MET 1 -11.160 21.800 -10.508 10 2HE MET 1 2HE MET 1 -9.985 23.005 -11.031 11 3HE MET 1 3HE MET 1 -10.933 23.284 -9.572 12 H LYS 2 H LYS 2 -8.423 18.372 -5.368 13 HA LYS 2 HA LYS 2 -8.043 19.291 -2.558 14 1HB LYS 2 2HB LYS 2 -8.672 16.518 -3.562 15 2HB LYS 2 1HB LYS 2 -7.775 16.742 -2.059 16 1HG LYS 2 2HG LYS 2 -9.588 18.103 -1.141 17 2HG LYS 2 1HG LYS 2 -10.475 17.984 -2.661 18 1HD LYS 2 2HD LYS 2 -10.863 15.659 -2.382 19 2HD LYS 2 1HD LYS 2 -9.646 15.529 -1.111 20 1HE LYS 2 2HE LYS 2 -11.020 16.755 0.447 21 2HE LYS 2 1HE LYS 2 -12.170 17.195 -0.832 22 1HZ LYS 2 1HZ LYS 2 -12.942 15.259 0.416 23 2HZ LYS 2 2HZ LYS 2 -11.517 14.423 0.021 24 3HZ LYS 2 3HZ LYS 2 -12.618 14.854 -1.199 25 H LYS 3 H LYS 3 -5.993 17.754 -1.764 26 HA LYS 3 HA LYS 3 -3.654 17.493 -1.975 27 1HB LYS 3 2HB LYS 3 -4.781 15.825 -3.622 28 2HB LYS 3 1HB LYS 3 -4.233 16.930 -4.883 29 1HG LYS 3 2HG LYS 3 -1.912 16.733 -4.025 30 2HG LYS 3 1HG LYS 3 -2.474 15.582 -2.812 31 1HD LYS 3 2HD LYS 3 -2.954 13.933 -4.408 32 2HD LYS 3 1HD LYS 3 -3.050 15.103 -5.725 33 1HE LYS 3 2HE LYS 3 -0.444 14.720 -4.257 34 2HE LYS 3 1HE LYS 3 -0.909 13.610 -5.562 35 1HZ LYS 3 1HZ LYS 3 -1.306 15.509 -6.999 36 2HZ LYS 3 2HZ LYS 3 0.295 15.531 -6.432 37 3HZ LYS 3 3HZ LYS 3 -0.863 16.576 -5.758 38 H ASP 4 H ASP 4 -2.896 19.632 -1.724 39 HA ASP 4 HA ASP 4 -2.978 21.595 -3.881 40 1HB ASP 4 2HB ASP 4 -1.872 21.331 -1.111 41 2HB ASP 4 1HB ASP 4 -1.231 22.616 -2.136 42 HA PRO 5 HA PRO 5 0.812 20.615 -5.903 43 1HB PRO 5 2HB PRO 5 1.983 23.051 -6.329 44 2HB PRO 5 1HB PRO 5 0.555 22.496 -7.225 45 1HG PRO 5 2HG PRO 5 0.734 24.378 -4.929 46 2HG PRO 5 1HG PRO 5 -0.311 24.434 -6.356 47 1HD PRO 5 2HD PRO 5 -1.152 23.597 -3.898 48 2HD PRO 5 1HD PRO 5 -1.875 23.051 -5.427 49 H ASN 6 H ASN 6 1.136 22.854 -3.167 50 HA ASN 6 HA ASN 6 3.981 22.243 -2.751 51 1HB ASN 6 2HB ASN 6 1.830 23.824 -1.329 52 2HB ASN 6 1HB ASN 6 3.446 23.640 -0.645 53 1HD2 ASN 6 1HD2 ASN 6 1.587 25.220 -3.172 54 2HD2 ASN 6 2HD2 ASN 6 2.863 26.151 -3.793 55 H ALA 7 H ALA 7 0.865 21.231 -1.431 56 HA ALA 7 HA ALA 7 1.707 19.918 0.947 57 1HB ALA 7 1HB ALA 7 -0.618 20.318 0.437 58 2HB ALA 7 2HB ALA 7 -0.401 18.569 0.513 59 3HB ALA 7 3HB ALA 7 -0.508 19.377 -1.051 60 HA PRO 8 HA PRO 8 3.728 16.333 -0.537 61 1HB PRO 8 2HB PRO 8 3.108 14.480 1.353 62 2HB PRO 8 1HB PRO 8 4.304 15.773 1.563 63 1HG PRO 8 2HG PRO 8 1.637 15.513 2.710 64 2HG PRO 8 1HG PRO 8 3.028 16.473 3.189 65 1HD PRO 8 2HD PRO 8 0.714 17.406 1.861 66 2HD PRO 8 1HD PRO 8 2.178 18.319 2.272 67 H LYS 9 H LYS 9 3.390 14.240 -1.573 68 HA LYS 9 HA LYS 9 0.941 13.934 -2.992 69 1HB LYS 9 2HB LYS 9 3.214 12.044 -2.327 70 2HB LYS 9 1HB LYS 9 1.940 11.648 -3.482 71 1HG LYS 9 2HG LYS 9 2.537 13.517 -4.889 72 2HG LYS 9 1HG LYS 9 3.670 14.127 -3.681 73 1HD LYS 9 2HD LYS 9 4.962 11.980 -3.912 74 2HD LYS 9 1HD LYS 9 3.903 11.549 -5.255 75 1HE LYS 9 2HE LYS 9 4.627 13.483 -6.534 76 2HE LYS 9 1HE LYS 9 5.562 14.093 -5.154 77 1HZ LYS 9 1HZ LYS 9 5.977 11.468 -6.487 78 2HZ LYS 9 2HZ LYS 9 6.871 12.071 -5.173 79 3HZ LYS 9 3HZ LYS 9 6.965 12.832 -6.690 80 H ARG 10 H ARG 10 -0.065 11.505 -2.861 81 HA ARG 10 HA ARG 10 -1.535 11.430 -0.334 82 1HB ARG 10 2HB ARG 10 -1.469 9.679 -2.815 83 2HB ARG 10 1HB ARG 10 -2.637 9.485 -1.507 84 1HG ARG 10 2HG ARG 10 -3.250 11.934 -1.859 85 2HG ARG 10 1HG ARG 10 -2.293 11.868 -3.339 86 1HD ARG 10 2HD ARG 10 -3.709 9.905 -4.078 87 2HD ARG 10 1HD ARG 10 -4.754 10.217 -2.676 88 HE ARG 10 HE ARG 10 -4.988 12.582 -3.618 89 1HH1 ARG 10 1HH2 ARG 10 -6.717 10.845 -5.210 90 2HH1 ARG 10 2HH2 ARG 10 -6.176 11.114 -6.833 91 1HH2 ARG 10 1HH1 ARG 10 -3.156 12.524 -5.876 92 2HH2 ARG 10 2HH1 ARG 10 -4.160 12.064 -7.211 93 HA PRO 11 HA PRO 11 1.240 8.556 1.601 94 1HB PRO 11 2HB PRO 11 -0.387 7.624 3.593 95 2HB PRO 11 1HB PRO 11 0.365 9.229 3.633 96 1HG PRO 11 2HG PRO 11 -2.419 8.461 2.933 97 2HG PRO 11 1HG PRO 11 -1.824 9.879 3.809 98 1HD PRO 11 2HD PRO 11 -2.596 9.910 1.180 99 2HD PRO 11 1HD PRO 11 -1.441 11.058 1.893 100 HA PRO 12 HA PRO 12 -0.094 4.774 -0.385 101 1HB PRO 12 2HB PRO 12 1.969 3.157 0.394 102 2HB PRO 12 1HB PRO 12 2.130 4.367 -0.894 103 1HG PRO 12 2HG PRO 12 3.011 4.494 1.943 104 2HG PRO 12 1HG PRO 12 3.803 5.109 0.484 105 1HD PRO 12 2HD PRO 12 2.411 6.678 2.236 106 2HD PRO 12 1HD PRO 12 2.628 7.066 0.515 107 H SER 13 H SER 13 -0.175 2.288 0.476 108 HA SER 13 HA SER 13 -0.627 2.048 3.368 109 1HB SER 13 2HB SER 13 -2.833 2.264 1.330 110 2HB SER 13 1HB SER 13 -3.087 1.400 2.843 111 HG SER 13 HG SER 13 -2.852 4.093 2.344 112 H ALA 14 H ALA 14 1.029 0.630 1.416 113 HA ALA 14 HA ALA 14 1.668 -1.592 1.038 114 1HB ALA 14 1HB ALA 14 0.040 -1.698 3.305 115 2HB ALA 14 2HB ALA 14 1.025 -3.021 2.680 116 3HB ALA 14 3HB ALA 14 -0.673 -2.894 2.222 117 H PHE 15 H PHE 15 -1.913 -1.902 1.011 118 HA PHE 15 HA PHE 15 -1.997 -3.368 -1.430 119 1HB PHE 15 2HB PHE 15 -3.800 -3.230 0.265 120 2HB PHE 15 1HB PHE 15 -4.064 -1.538 -0.158 121 HD1 PHE 15 1HD PHE 15 -5.972 -1.223 -1.451 122 HD2 PHE 15 2HD PHE 15 -3.560 -4.717 -2.102 123 HE1 PHE 15 1HE PHE 15 -7.468 -1.909 -3.306 124 HE2 PHE 15 2HE PHE 15 -5.057 -5.404 -3.956 125 HZ PHE 15 HZ PHE 15 -7.009 -4.000 -4.561 126 H PHE 16 H PHE 16 -1.816 0.094 -0.827 127 HA PHE 16 HA PHE 16 -2.693 0.953 -3.446 128 1HB PHE 16 2HB PHE 16 -2.363 2.181 -1.115 129 2HB PHE 16 1HB PHE 16 -0.749 2.497 -1.752 130 HD1 PHE 16 1HD PHE 16 -0.532 3.606 -4.039 131 HD2 PHE 16 2HD PHE 16 -4.235 3.425 -1.868 132 HE1 PHE 16 1HE PHE 16 -1.440 5.445 -5.433 133 HE2 PHE 16 2HE PHE 16 -5.142 5.265 -3.263 134 HZ PHE 16 HZ PHE 16 -3.744 6.275 -5.045 135 H LEU 17 H LEU 17 0.427 -0.013 -2.100 136 HA LEU 17 HA LEU 17 2.058 0.906 -4.315 137 1HB LEU 17 2HB LEU 17 2.318 -1.197 -2.151 138 2HB LEU 17 1HB LEU 17 3.607 -0.904 -3.320 139 HG LEU 17 HG LEU 17 3.229 1.622 -2.606 140 1HD1 LEU 17 1HD1 LEU 17 1.932 -0.012 -0.458 141 2HD1 LEU 17 2HD1 LEU 17 1.485 1.577 -1.080 142 3HD1 LEU 17 3HD1 LEU 17 2.858 1.413 0.014 143 1HD2 LEU 17 1HD2 LEU 17 4.958 1.290 -0.830 144 2HD2 LEU 17 2HD2 LEU 17 5.334 0.428 -2.322 145 3HD2 LEU 17 3HD2 LEU 17 4.682 -0.448 -0.937 146 H PHE 18 H PHE 18 1.373 -2.443 -3.421 147 HA PHE 18 HA PHE 18 1.819 -3.894 -5.693 148 1HB PHE 18 2HB PHE 18 0.923 -4.862 -3.647 149 2HB PHE 18 1HB PHE 18 -0.611 -4.023 -3.874 150 HD1 PHE 18 1HD PHE 18 -2.329 -4.955 -5.221 151 HD2 PHE 18 2HD PHE 18 1.630 -6.617 -5.350 152 HE1 PHE 18 1HE PHE 18 -3.174 -6.860 -6.565 153 HE2 PHE 18 2HE PHE 18 0.785 -8.523 -6.694 154 HZ PHE 18 HZ PHE 18 -1.618 -8.645 -7.302 155 H CYS 19 H CYS 19 -1.417 -2.324 -5.179 156 HA CYS 19 HA CYS 19 -2.349 -2.829 -7.827 157 1HB CYS 19 2HB CYS 19 -3.725 -2.228 -5.836 158 2HB CYS 19 1HB CYS 19 -3.059 -0.600 -5.898 159 HG CYS 19 HG CYS 19 -5.292 -0.539 -7.240 160 H SER 20 H SER 20 -0.716 0.007 -6.428 161 HA SER 20 HA SER 20 -0.864 1.758 -8.649 162 1HB SER 20 2HB SER 20 -0.090 2.491 -6.488 163 2HB SER 20 1HB SER 20 1.242 1.340 -6.511 164 HG SER 20 HG SER 20 1.853 3.495 -7.104 165 H GLU 21 H GLU 21 1.356 -0.964 -8.067 166 HA GLU 21 HA GLU 21 2.952 -0.274 -10.451 167 1HB GLU 21 2HB GLU 21 4.294 -2.222 -9.727 168 2HB GLU 21 1HB GLU 21 4.014 -1.103 -8.395 169 1HG GLU 21 2HG GLU 21 2.415 -2.515 -7.389 170 2HG GLU 21 1HG GLU 21 2.179 -3.447 -8.867 171 H HIS 22 H HIS 22 0.341 -2.533 -9.595 172 HA HIS 22 HA HIS 22 0.680 -3.948 -12.196 173 1HB HIS 22 2HB HIS 22 -0.991 -4.390 -9.705 174 2HB HIS 22 1HB HIS 22 -1.107 -5.409 -11.138 175 HD1 HIS 22 1HD HIS 22 1.424 -6.344 -11.937 176 HD2 HIS 22 2HD HIS 22 0.871 -5.340 -7.931 177 HE1 HIS 22 1HE HIS 22 3.258 -7.519 -10.645 178 H ARG 23 H ARG 23 -0.554 -1.098 -11.608 179 HA ARG 23 HA ARG 23 -3.351 -1.422 -12.393 180 1HB ARG 23 2HB ARG 23 -2.553 0.327 -10.852 181 2HB ARG 23 1HB ARG 23 -1.564 1.015 -12.134 182 1HG ARG 23 2HG ARG 23 -3.336 2.033 -13.125 183 2HG ARG 23 1HG ARG 23 -4.381 0.630 -12.902 184 1HD ARG 23 2HD ARG 23 -5.355 2.292 -11.509 185 2HD ARG 23 1HD ARG 23 -4.385 1.324 -10.380 186 HE ARG 23 HE ARG 23 -2.590 3.044 -10.611 187 1HH1 ARG 23 1HH2 ARG 23 -5.190 4.294 -9.527 188 2HH1 ARG 23 2HH2 ARG 23 -5.232 5.771 -10.431 189 1HH2 ARG 23 1HH1 ARG 23 -2.877 4.724 -12.753 190 2HH2 ARG 23 2HH1 ARG 23 -3.922 6.014 -12.258 191 HA PRO 24 HA PRO 24 -1.752 0.394 -16.509 192 1HB PRO 24 2HB PRO 24 0.912 0.230 -17.095 193 2HB PRO 24 1HB PRO 24 0.181 1.632 -16.287 194 1HG PRO 24 2HG PRO 24 1.763 -0.601 -15.142 195 2HG PRO 24 1HG PRO 24 1.723 1.108 -14.687 196 1HD PRO 24 2HD PRO 24 0.450 -0.898 -13.321 197 2HD PRO 24 1HD PRO 24 -0.019 0.812 -13.263 198 H LYS 25 H LYS 25 -0.896 -2.571 -15.081 199 HA LYS 25 HA LYS 25 -0.188 -3.942 -17.602 200 1HB LYS 25 2HB LYS 25 0.843 -4.376 -15.326 201 2HB LYS 25 1HB LYS 25 -0.711 -5.043 -14.824 202 1HG LYS 25 2HG LYS 25 0.394 -6.966 -15.539 203 2HG LYS 25 1HG LYS 25 -0.461 -6.496 -17.008 204 1HD LYS 25 2HD LYS 25 1.505 -5.473 -17.929 205 2HD LYS 25 1HD LYS 25 2.368 -5.609 -16.396 206 1HE LYS 25 2HE LYS 25 1.310 -8.107 -17.703 207 2HE LYS 25 1HE LYS 25 2.832 -7.393 -18.275 208 1HZ LYS 25 1HZ LYS 25 2.176 -8.060 -15.452 209 2HZ LYS 25 2HZ LYS 25 3.618 -7.333 -15.983 210 3HZ LYS 25 3HZ LYS 25 3.243 -8.925 -16.447 211 H ILE 26 H ILE 26 -2.862 -3.826 -15.249 212 HA ILE 26 HA ILE 26 -4.483 -5.841 -16.556 213 HB ILE 26 HB ILE 26 -5.166 -3.580 -14.645 214 1HG1 ILE 26 2HG1 ILE 26 -3.436 -5.117 -13.783 215 2HG1 ILE 26 1HG1 ILE 26 -4.946 -5.323 -12.903 216 1HG2 ILE 26 1HG2 ILE 26 -6.965 -5.493 -14.079 217 2HG2 ILE 26 2HG2 ILE 26 -6.733 -5.843 -15.791 218 3HG2 ILE 26 3HG2 ILE 26 -7.274 -4.243 -15.285 219 1HD1 ILE 26 1HD1 ILE 26 -3.852 -7.103 -15.099 220 2HD1 ILE 26 2HD1 ILE 26 -5.487 -7.247 -14.453 221 3HD1 ILE 26 3HD1 ILE 26 -4.097 -7.527 -13.404 222 H LYS 27 H LYS 27 -3.937 -2.440 -17.124 223 HA LYS 27 HA LYS 27 -6.410 -1.956 -18.615 224 1HB LYS 27 2HB LYS 27 -3.802 -0.536 -18.102 225 2HB LYS 27 1HB LYS 27 -4.947 0.101 -19.282 226 1HG LYS 27 2HG LYS 27 -6.696 -0.227 -17.349 227 2HG LYS 27 1HG LYS 27 -5.268 -0.202 -16.312 228 1HD LYS 27 2HD LYS 27 -4.597 1.966 -17.290 229 2HD LYS 27 1HD LYS 27 -6.038 1.948 -18.308 230 1HE LYS 27 2HE LYS 27 -6.781 3.236 -16.495 231 2HE LYS 27 1HE LYS 27 -7.278 1.612 -15.978 232 1HZ LYS 27 1HZ LYS 27 -5.303 1.355 -14.724 233 2HZ LYS 27 2HZ LYS 27 -5.928 2.879 -14.308 234 3HZ LYS 27 3HZ LYS 27 -4.610 2.760 -15.374 235 H SER 28 H SER 28 -3.299 -3.354 -19.338 236 HA SER 28 HA SER 28 -3.271 -2.776 -22.191 237 1HB SER 28 2HB SER 28 -1.894 -4.850 -20.453 238 2HB SER 28 1HB SER 28 -1.482 -4.538 -22.137 239 HG SER 28 HG SER 28 -0.387 -2.875 -21.488 240 H GLU 29 H GLU 29 -4.041 -5.695 -20.271 241 HA GLU 29 HA GLU 29 -5.122 -7.106 -22.616 242 1HB GLU 29 2HB GLU 29 -4.846 -7.650 -19.655 243 2HB GLU 29 1HB GLU 29 -5.668 -8.780 -20.733 244 1HG GLU 29 2HG GLU 29 -2.900 -7.755 -21.359 245 2HG GLU 29 1HG GLU 29 -3.143 -9.157 -20.317 246 H HIS 30 H HIS 30 -6.371 -4.630 -20.817 247 HA HIS 30 HA HIS 30 -9.155 -5.404 -21.454 248 1HB HIS 30 2HB HIS 30 -8.231 -4.614 -18.669 249 2HB HIS 30 1HB HIS 30 -9.896 -4.921 -19.148 250 HD1 HIS 30 1HD HIS 30 -10.645 -7.357 -19.391 251 HD2 HIS 30 2HD HIS 30 -6.584 -6.972 -18.558 252 HE1 HIS 30 1HE HIS 30 -9.812 -9.678 -18.814 253 HA PRO 31 HA PRO 31 -8.115 -0.981 -22.258 254 1HB PRO 31 2HB PRO 31 -9.663 -0.788 -24.518 255 2HB PRO 31 1HB PRO 31 -7.986 -1.373 -24.540 256 1HG PRO 31 2HG PRO 31 -10.532 -2.935 -24.547 257 2HG PRO 31 1HG PRO 31 -9.051 -3.191 -25.487 258 1HD PRO 31 2HD PRO 31 -9.619 -4.654 -23.289 259 2HD PRO 31 1HD PRO 31 -7.954 -4.218 -23.734 260 H GLY 32 H GLY 32 -9.319 0.495 -21.125 261 1HA GLY 32 2HA GLY 32 -11.321 1.749 -20.653 262 2HA GLY 32 1HA GLY 32 -12.277 0.426 -21.318 263 H LEU 33 H LEU 33 -10.356 -1.376 -19.576 264 HA LEU 33 HA LEU 33 -12.111 -2.023 -17.488 265 1HB LEU 33 2HB LEU 33 -9.912 -3.083 -18.451 266 2HB LEU 33 1HB LEU 33 -9.118 -2.166 -17.178 267 HG LEU 33 HG LEU 33 -9.634 -4.470 -16.452 268 1HD1 LEU 33 1HD1 LEU 33 -10.547 -3.900 -14.340 269 2HD1 LEU 33 2HD1 LEU 33 -11.476 -2.561 -15.012 270 3HD1 LEU 33 3HD1 LEU 33 -9.719 -2.446 -14.894 271 1HD2 LEU 33 1HD2 LEU 33 -12.564 -3.796 -16.498 272 2HD2 LEU 33 2HD2 LEU 33 -11.788 -5.378 -16.445 273 3HD2 LEU 33 3HD2 LEU 33 -11.799 -4.451 -17.945 274 H SER 34 H SER 34 -12.914 -0.411 -16.165 275 HA SER 34 HA SER 34 -11.562 1.895 -15.202 276 1HB SER 34 2HB SER 34 -13.382 1.665 -13.366 277 2HB SER 34 1HB SER 34 -13.924 1.785 -15.038 278 HG SER 34 HG SER 34 -14.077 -0.303 -13.259 279 H ILE 35 H ILE 35 -11.608 1.970 -12.481 280 HA ILE 35 HA ILE 35 -9.350 0.189 -11.743 281 HB ILE 35 HB ILE 35 -10.662 2.539 -10.338 282 1HG1 ILE 35 2HG1 ILE 35 -9.712 3.182 -12.523 283 2HG1 ILE 35 1HG1 ILE 35 -8.745 3.846 -11.208 284 1HG2 ILE 35 1HG2 ILE 35 -8.227 0.870 -9.784 285 2HG2 ILE 35 2HG2 ILE 35 -9.453 1.459 -8.662 286 3HG2 ILE 35 3HG2 ILE 35 -8.245 2.568 -9.309 287 1HD1 ILE 35 1HD1 ILE 35 -7.158 2.951 -12.734 288 2HD1 ILE 35 2HD1 ILE 35 -8.107 1.487 -12.987 289 3HD1 ILE 35 3HD1 ILE 35 -7.275 1.744 -11.453 290 H GLY 36 H GLY 36 -12.431 -0.520 -11.794 291 1HA GLY 36 2HA GLY 36 -12.731 -1.327 -8.947 292 2HA GLY 36 1HA GLY 36 -14.023 -1.323 -10.148 293 H ASP 37 H ASP 37 -13.199 -2.776 -12.191 294 HA ASP 37 HA ASP 37 -13.310 -5.489 -11.318 295 1HB ASP 37 2HB ASP 37 -12.479 -4.151 -13.903 296 2HB ASP 37 1HB ASP 37 -12.671 -5.897 -13.751 297 H THR 38 H THR 38 -10.519 -3.520 -12.417 298 HA THR 38 HA THR 38 -8.614 -5.691 -12.137 299 HB THR 38 HB THR 38 -8.318 -3.758 -13.651 300 HG1 THR 38 1HG THR 38 -6.162 -3.249 -12.943 301 1HG2 THR 38 1HG2 THR 38 -8.229 -2.209 -11.058 302 2HG2 THR 38 2HG2 THR 38 -9.303 -1.954 -12.433 303 3HG2 THR 38 3HG2 THR 38 -7.588 -1.575 -12.573 304 H ALA 39 H ALA 39 -9.898 -3.227 -9.996 305 HA ALA 39 HA ALA 39 -7.881 -3.473 -7.914 306 1HB ALA 39 1HB ALA 39 -10.700 -2.394 -8.126 307 2HB ALA 39 2HB ALA 39 -9.195 -1.486 -7.984 308 3HB ALA 39 3HB ALA 39 -9.824 -2.374 -6.596 309 H LYS 40 H LYS 40 -10.838 -5.142 -8.768 310 HA LYS 40 HA LYS 40 -11.132 -6.599 -6.252 311 1HB LYS 40 2HB LYS 40 -12.308 -6.624 -9.018 312 2HB LYS 40 1HB LYS 40 -12.597 -8.012 -7.968 313 1HG LYS 40 2HG LYS 40 -13.248 -6.213 -6.187 314 2HG LYS 40 1HG LYS 40 -13.433 -5.148 -7.580 315 1HD LYS 40 2HD LYS 40 -15.160 -6.451 -8.506 316 2HD LYS 40 1HD LYS 40 -14.727 -7.868 -7.550 317 1HE LYS 40 2HE LYS 40 -15.338 -6.413 -5.484 318 2HE LYS 40 1HE LYS 40 -16.174 -5.373 -6.655 319 1HZ LYS 40 1HZ LYS 40 -16.549 -8.310 -6.377 320 2HZ LYS 40 2HZ LYS 40 -17.340 -7.310 -7.501 321 3HZ LYS 40 3HZ LYS 40 -17.640 -7.129 -5.838 322 H LYS 41 H LYS 41 -9.809 -7.248 -9.480 323 HA LYS 41 HA LYS 41 -9.010 -9.983 -8.980 324 1HB LYS 41 2HB LYS 41 -8.349 -7.804 -10.951 325 2HB LYS 41 1HB LYS 41 -7.423 -9.305 -10.972 326 1HG LYS 41 2HG LYS 41 -9.332 -10.614 -11.458 327 2HG LYS 41 1HG LYS 41 -10.441 -9.328 -10.979 328 1HD LYS 41 2HD LYS 41 -10.069 -8.098 -12.938 329 2HD LYS 41 1HD LYS 41 -8.524 -8.889 -13.256 330 1HE LYS 41 2HE LYS 41 -9.609 -10.928 -13.937 331 2HE LYS 41 1HE LYS 41 -11.183 -10.352 -13.353 332 1HZ LYS 41 1HZ LYS 41 -11.046 -8.508 -14.916 333 2HZ LYS 41 2HZ LYS 41 -10.970 -9.994 -15.738 334 3HZ LYS 41 3HZ LYS 41 -9.558 -9.082 -15.494 335 H LEU 42 H LEU 42 -7.127 -6.933 -9.044 336 HA LEU 42 HA LEU 42 -4.596 -7.863 -8.267 337 1HB LEU 42 2HB LEU 42 -6.186 -5.376 -8.099 338 2HB LEU 42 1HB LEU 42 -4.833 -5.457 -6.976 339 HG LEU 42 HG LEU 42 -3.318 -6.006 -8.862 340 1HD1 LEU 42 1HD1 LEU 42 -5.312 -6.942 -10.252 341 2HD1 LEU 42 2HD1 LEU 42 -4.045 -6.060 -11.103 342 3HD1 LEU 42 3HD1 LEU 42 -5.570 -5.262 -10.723 343 1HD2 LEU 42 1HD2 LEU 42 -4.160 -3.601 -8.092 344 2HD2 LEU 42 2HD2 LEU 42 -4.789 -3.562 -9.739 345 3HD2 LEU 42 3HD2 LEU 42 -3.063 -3.794 -9.459 346 H GLY 43 H GLY 43 -7.247 -6.805 -6.098 347 1HA GLY 43 2HA GLY 43 -5.943 -7.220 -3.625 348 2HA GLY 43 1HA GLY 43 -7.691 -7.347 -3.849 349 H GLU 44 H GLU 44 -7.325 -9.529 -5.866 350 HA GLU 44 HA GLU 44 -7.368 -11.795 -4.036 351 1HB GLU 44 2HB GLU 44 -8.624 -11.399 -6.268 352 2HB GLU 44 1HB GLU 44 -7.112 -11.858 -7.053 353 1HG GLU 44 2HG GLU 44 -8.333 -13.885 -6.892 354 2HG GLU 44 1HG GLU 44 -7.176 -13.957 -5.562 355 H MET 45 H MET 45 -5.085 -10.440 -6.394 356 HA MET 45 HA MET 45 -3.099 -12.560 -6.044 357 1HB MET 45 2HB MET 45 -3.322 -9.895 -7.432 358 2HB MET 45 1HB MET 45 -1.747 -10.674 -7.295 359 1HG MET 45 2HG MET 45 -2.679 -12.717 -8.346 360 2HG MET 45 1HG MET 45 -4.233 -11.903 -8.521 361 1HE MET 45 1HE MET 45 -4.955 -10.750 -10.370 362 2HE MET 45 2HE MET 45 -4.027 -9.640 -11.375 363 3HE MET 45 3HE MET 45 -4.232 -9.300 -9.659 364 H TRP 46 H TRP 46 -3.642 -9.267 -4.819 365 HA TRP 46 HA TRP 46 -1.176 -8.854 -3.441 366 1HB TRP 46 2HB TRP 46 -2.829 -7.108 -3.823 367 2HB TRP 46 1HB TRP 46 -4.033 -7.966 -2.871 368 HD1 TRP 46 HD TRP 46 -4.281 -6.905 -0.565 369 HE1 TRP 46 1HE TRP 46 -2.692 -5.790 1.137 370 HE3 TRP 46 3HE TRP 46 0.096 -7.198 -3.147 371 HZ2 TRP 46 2HZ TRP 46 0.086 -5.117 1.363 372 HZ3 TRP 46 3HZ TRP 46 2.204 -6.318 -2.174 373 HH2 TRP 46 HH TRP 46 2.199 -5.281 0.070 374 H SER 47 H SER 47 -4.281 -10.151 -2.177 375 HA SER 47 HA SER 47 -3.269 -10.920 0.394 376 1HB SER 47 2HB SER 47 -5.661 -11.318 -1.295 377 2HB SER 47 1HB SER 47 -5.381 -12.597 -0.118 378 HG SER 47 HG SER 47 -6.404 -10.208 0.298 379 H GLU 48 H GLU 48 -2.727 -12.292 -2.727 380 HA GLU 48 HA GLU 48 -2.091 -14.977 -1.620 381 1HB GLU 48 2HB GLU 48 -2.688 -13.749 -4.293 382 2HB GLU 48 1HB GLU 48 -1.772 -15.254 -4.234 383 1HG GLU 48 2HG GLU 48 -3.645 -16.089 -2.646 384 2HG GLU 48 1HG GLU 48 -4.578 -14.731 -3.273 385 H GLN 49 H GLN 49 -0.570 -12.007 -2.411 386 HA GLN 49 HA GLN 49 1.943 -13.026 -3.415 387 1HB GLN 49 2HB GLN 49 0.675 -10.520 -2.842 388 2HB GLN 49 1HB GLN 49 2.212 -10.532 -1.989 389 1HG GLN 49 2HG GLN 49 2.484 -9.628 -4.255 390 2HG GLN 49 1HG GLN 49 3.373 -11.140 -4.082 391 1HE2 GLN 49 1HE2 GLN 49 0.153 -9.941 -5.190 392 2HE2 GLN 49 2HE2 GLN 49 -0.019 -11.103 -6.415 393 H SER 50 H SER 50 3.818 -13.497 -2.235 394 HA SER 50 HA SER 50 3.413 -14.061 0.654 395 1HB SER 50 2HB SER 50 5.423 -15.475 0.311 396 2HB SER 50 1HB SER 50 4.191 -15.836 -0.895 397 HG SER 50 HG SER 50 5.847 -15.494 -2.183 398 H ALA 51 H ALA 51 6.726 -13.606 -0.219 399 HA ALA 51 HA ALA 51 6.722 -10.980 1.205 400 1HB ALA 51 1HB ALA 51 8.022 -12.669 2.305 401 2HB ALA 51 2HB ALA 51 9.188 -11.634 1.481 402 3HB ALA 51 3HB ALA 51 8.749 -13.193 0.785 403 H LYS 52 H LYS 52 7.466 -12.544 -1.835 404 HA LYS 52 HA LYS 52 9.373 -10.790 -2.973 405 1HB LYS 52 2HB LYS 52 8.209 -13.007 -3.772 406 2HB LYS 52 1HB LYS 52 7.060 -11.909 -4.538 407 1HG LYS 52 2HG LYS 52 8.727 -12.318 -6.190 408 2HG LYS 52 1HG LYS 52 9.100 -10.721 -5.541 409 1HD LYS 52 2HD LYS 52 10.895 -11.547 -4.232 410 2HD LYS 52 1HD LYS 52 10.359 -13.218 -4.402 411 1HE LYS 52 2HE LYS 52 12.231 -12.955 -5.900 412 2HE LYS 52 1HE LYS 52 10.782 -12.938 -6.926 413 1HZ LYS 52 1HZ LYS 52 10.749 -10.510 -6.736 414 2HZ LYS 52 2HZ LYS 52 12.187 -11.056 -7.458 415 3HZ LYS 52 3HZ LYS 52 12.184 -10.554 -5.834 416 H ASP 53 H ASP 53 5.789 -10.570 -3.188 417 HA ASP 53 HA ASP 53 6.122 -7.650 -3.799 418 1HB ASP 53 2HB ASP 53 4.549 -9.844 -5.049 419 2HB ASP 53 1HB ASP 53 3.760 -8.269 -4.926 420 H LYS 54 H LYS 54 5.963 -7.979 -1.266 421 HA LYS 54 HA LYS 54 3.399 -6.939 -0.426 422 1HB LYS 54 2HB LYS 54 3.467 -9.626 -0.729 423 2HB LYS 54 1HB LYS 54 3.990 -9.490 0.940 424 1HG LYS 54 2HG LYS 54 1.972 -7.889 1.225 425 2HG LYS 54 1HG LYS 54 1.412 -8.542 -0.309 426 1HD LYS 54 2HD LYS 54 0.369 -9.974 1.191 427 2HD LYS 54 1HD LYS 54 1.855 -10.857 0.848 428 1HE LYS 54 2HE LYS 54 1.755 -10.890 3.213 429 2HE LYS 54 1HE LYS 54 2.823 -9.510 2.886 430 1HZ LYS 54 1HZ LYS 54 0.910 -8.045 2.941 431 2HZ LYS 54 2HZ LYS 54 1.026 -8.900 4.405 432 3HZ LYS 54 3HZ LYS 54 -0.124 -9.356 3.241 433 H GLN 55 H GLN 55 6.511 -8.366 0.499 434 HA GLN 55 HA GLN 55 6.470 -7.328 3.223 435 1HB GLN 55 2HB GLN 55 8.278 -8.816 1.393 436 2HB GLN 55 1HB GLN 55 9.062 -7.924 2.699 437 1HG GLN 55 2HG GLN 55 6.759 -9.855 3.103 438 2HG GLN 55 1HG GLN 55 8.456 -10.278 3.326 439 1HE2 GLN 55 1HE2 GLN 55 5.714 -8.838 4.853 440 2HE2 GLN 55 2HE2 GLN 55 6.508 -8.276 6.244 441 HA PRO 56 HA PRO 56 9.527 -4.096 1.489 442 1HB PRO 56 2HB PRO 56 9.811 -3.842 -1.220 443 2HB PRO 56 1HB PRO 56 10.817 -4.927 -0.238 444 1HG PRO 56 2HG PRO 56 8.476 -5.554 -1.959 445 2HG PRO 56 1HG PRO 56 9.966 -6.473 -1.700 446 1HD PRO 56 2HD PRO 56 7.580 -7.074 -0.531 447 2HD PRO 56 1HD PRO 56 9.155 -7.502 0.170 448 H TYR 57 H TYR 57 6.405 -4.729 0.189 449 HA TYR 57 HA TYR 57 5.966 -1.942 -0.713 450 1HB TYR 57 2HB TYR 57 4.418 -4.537 -0.737 451 2HB TYR 57 1HB TYR 57 3.656 -3.010 -1.186 452 HD1 TYR 57 1HD TYR 57 5.065 -5.793 -2.586 453 HD2 TYR 57 2HD TYR 57 5.469 -1.521 -2.720 454 HE1 TYR 57 1HE TYR 57 6.066 -5.958 -4.850 455 HE2 TYR 57 2HE TYR 57 6.470 -1.685 -4.982 456 HH TYR 57 HH TYR 57 6.262 -4.374 -6.891 457 H GLU 58 H GLU 58 5.096 -4.136 1.924 458 HA GLU 58 HA GLU 58 3.170 -2.273 3.114 459 1HB GLU 58 2HB GLU 58 3.025 -4.007 4.839 460 2HB GLU 58 1HB GLU 58 3.013 -4.758 3.247 461 1HG GLU 58 2HG GLU 58 5.381 -5.330 3.455 462 2HG GLU 58 1HG GLU 58 5.480 -4.473 4.986 463 H GLN 59 H GLN 59 6.579 -3.081 3.520 464 HA GLN 59 HA GLN 59 6.972 -1.703 6.040 465 1HB GLN 59 2HB GLN 59 8.736 -2.643 3.767 466 2HB GLN 59 1HB GLN 59 9.406 -1.832 5.184 467 1HG GLN 59 2HG GLN 59 8.309 -3.541 6.635 468 2HG GLN 59 1HG GLN 59 7.769 -4.384 5.181 469 1HE2 GLN 59 1HE2 GLN 59 9.247 -5.814 4.207 470 2HE2 GLN 59 2HE2 GLN 59 10.878 -5.953 4.655 471 H LYS 60 H LYS 60 8.238 -0.812 2.812 472 HA LYS 60 HA LYS 60 8.937 1.839 3.286 473 1HB LYS 60 2HB LYS 60 9.334 0.470 1.242 474 2HB LYS 60 1HB LYS 60 7.641 0.688 0.798 475 1HG LYS 60 2HG LYS 60 8.406 3.280 1.251 476 2HG LYS 60 1HG LYS 60 9.897 2.589 0.614 477 1HD LYS 60 2HD LYS 60 8.575 1.659 -1.308 478 2HD LYS 60 1HD LYS 60 7.167 2.535 -0.703 479 1HE LYS 60 2HE LYS 60 7.970 4.160 -2.138 480 2HE LYS 60 1HE LYS 60 8.982 4.557 -0.735 481 1HZ LYS 60 1HZ LYS 60 9.694 2.643 -2.896 482 2HZ LYS 60 2HZ LYS 60 10.653 3.009 -1.542 483 3HZ LYS 60 3HZ LYS 60 10.341 4.201 -2.713 484 H ALA 61 H ALA 61 5.659 0.580 3.037 485 HA ALA 61 HA ALA 61 4.514 3.291 2.648 486 1HB ALA 61 1HB ALA 61 2.614 2.136 2.012 487 2HB ALA 61 2HB ALA 61 2.882 0.848 3.185 488 3HB ALA 61 3HB ALA 61 3.815 0.886 1.689 489 H ALA 62 H ALA 62 4.737 0.714 5.084 490 HA ALA 62 HA ALA 62 2.993 1.885 7.047 491 1HB ALA 62 1HB ALA 62 4.367 0.363 8.573 492 2HB ALA 62 2HB ALA 62 5.355 -0.012 7.160 493 3HB ALA 62 3HB ALA 62 3.641 -0.429 7.174 494 H LYS 63 H LYS 63 6.448 2.273 6.350 495 HA LYS 63 HA LYS 63 6.987 3.939 8.691 496 1HB LYS 63 2HB LYS 63 8.579 2.427 7.367 497 2HB LYS 63 1HB LYS 63 8.584 3.685 6.131 498 1HG LYS 63 2HG LYS 63 9.231 5.316 7.990 499 2HG LYS 63 1HG LYS 63 9.532 3.896 8.993 500 1HD LYS 63 2HD LYS 63 10.776 4.186 6.258 501 2HD LYS 63 1HD LYS 63 11.542 4.861 7.696 502 1HE LYS 63 2HE LYS 63 11.549 2.622 8.753 503 2HE LYS 63 1HE LYS 63 10.794 1.940 7.298 504 1HZ LYS 63 1HZ LYS 63 12.638 2.779 5.984 505 2HZ LYS 63 2HZ LYS 63 13.211 1.744 7.202 506 3HZ LYS 63 3HZ LYS 63 13.367 3.427 7.371 507 H LEU 64 H LEU 64 7.085 4.663 5.180 508 HA LEU 64 HA LEU 64 7.256 7.453 5.274 509 1HB LEU 64 2HB LEU 64 6.093 5.424 3.411 510 2HB LEU 64 1HB LEU 64 5.775 7.126 3.077 511 HG LEU 64 HG LEU 64 8.543 5.990 3.559 512 1HD1 LEU 64 1HD1 LEU 64 8.847 6.203 1.120 513 2HD1 LEU 64 2HD1 LEU 64 7.164 6.702 0.950 514 3HD1 LEU 64 3HD1 LEU 64 7.550 5.068 1.491 515 1HD2 LEU 64 1HD2 LEU 64 8.572 8.308 4.037 516 2HD2 LEU 64 2HD2 LEU 64 7.430 8.676 2.744 517 3HD2 LEU 64 3HD2 LEU 64 9.089 8.219 2.353 518 H LYS 65 H LYS 65 4.460 5.441 5.944 519 HA LYS 65 HA LYS 65 2.441 7.509 5.719 520 1HB LYS 65 2HB LYS 65 2.025 5.054 5.654 521 2HB LYS 65 1HB LYS 65 2.536 4.936 7.337 522 1HG LYS 65 2HG LYS 65 0.695 6.295 8.077 523 2HG LYS 65 1HG LYS 65 0.267 6.716 6.418 524 1HD LYS 65 2HD LYS 65 -1.273 5.017 6.957 525 2HD LYS 65 1HD LYS 65 -0.013 4.158 6.070 526 1HE LYS 65 2HE LYS 65 0.952 3.291 8.084 527 2HE LYS 65 1HE LYS 65 -0.006 4.391 9.094 528 1HZ LYS 65 1HZ LYS 65 -1.039 2.208 9.005 529 2HZ LYS 65 2HZ LYS 65 -1.093 2.277 7.308 530 3HZ LYS 65 3HZ LYS 65 -2.022 3.356 8.236 531 H GLU 66 H GLU 66 4.234 6.067 8.441 532 HA GLU 66 HA GLU 66 3.152 7.627 10.561 533 1HB GLU 66 2HB GLU 66 5.838 6.322 10.060 534 2HB GLU 66 1HB GLU 66 5.436 7.073 11.605 535 1HG GLU 66 2HG GLU 66 3.550 5.583 11.909 536 2HG GLU 66 1HG GLU 66 3.762 4.917 10.290 537 H LYS 67 H LYS 67 5.896 8.290 8.386 538 HA LYS 67 HA LYS 67 6.613 10.810 9.667 539 1HB LYS 67 2HB LYS 67 7.903 9.071 8.107 540 2HB LYS 67 1HB LYS 67 7.305 10.133 6.833 541 1HG LYS 67 2HG LYS 67 8.298 12.079 8.010 542 2HG LYS 67 1HG LYS 67 8.936 10.991 9.242 543 1HD LYS 67 2HD LYS 67 9.558 10.592 6.315 544 2HD LYS 67 1HD LYS 67 10.530 11.661 7.327 545 1HE LYS 67 2HE LYS 67 9.947 8.854 8.256 546 2HE LYS 67 1HE LYS 67 11.271 9.161 7.115 547 1HZ LYS 67 1HZ LYS 67 10.863 10.527 9.724 548 2HZ LYS 67 2HZ LYS 67 12.094 10.888 8.612 549 3HZ LYS 67 3HZ LYS 67 12.061 9.376 9.385 550 H TYR 68 H TYR 68 4.366 9.825 7.166 551 HA TYR 68 HA TYR 68 4.032 12.350 5.827 552 1HB TYR 68 2HB TYR 68 3.001 9.699 5.760 553 2HB TYR 68 1HB TYR 68 1.614 10.756 5.953 554 HD1 TYR 68 1HD TYR 68 4.240 9.614 3.728 555 HD2 TYR 68 2HD TYR 68 1.232 12.624 4.308 556 HE1 TYR 68 1HE TYR 68 4.396 10.228 1.330 557 HE2 TYR 68 2HE TYR 68 1.386 13.240 1.909 558 HH TYR 68 HH TYR 68 3.860 12.491 -0.023 559 H GLU 69 H GLU 69 2.187 10.784 8.428 560 HA GLU 69 HA GLU 69 0.238 12.738 8.962 561 1HB GLU 69 2HB GLU 69 1.793 10.988 10.898 562 2HB GLU 69 1HB GLU 69 0.225 11.727 11.229 563 1HG GLU 69 2HG GLU 69 -0.528 10.517 9.038 564 2HG GLU 69 1HG GLU 69 0.900 9.516 9.300 565 H LYS 70 H LYS 70 3.619 12.642 10.006 566 HA LYS 70 HA LYS 70 3.400 15.057 11.669 567 1HB LYS 70 2HB LYS 70 5.387 12.995 10.917 568 2HB LYS 70 1HB LYS 70 6.073 14.595 11.194 569 1HG LYS 70 2HG LYS 70 6.100 13.768 13.357 570 2HG LYS 70 1HG LYS 70 4.506 14.525 13.336 571 1HD LYS 70 2HD LYS 70 3.933 12.429 14.132 572 2HD LYS 70 1HD LYS 70 3.775 12.146 12.398 573 1HE LYS 70 2HE LYS 70 5.108 10.325 13.140 574 2HE LYS 70 1HE LYS 70 6.305 11.479 12.521 575 1HZ LYS 70 1HZ LYS 70 6.833 10.690 14.785 576 2HZ LYS 70 2HZ LYS 70 5.376 11.363 15.341 577 3HZ LYS 70 3HZ LYS 70 6.596 12.368 14.718 578 H ASP 71 H ASP 71 4.534 14.124 8.474 579 HA ASP 71 HA ASP 71 5.671 16.630 7.641 580 1HB ASP 71 2HB ASP 71 4.747 14.070 6.488 581 2HB ASP 71 1HB ASP 71 4.678 15.423 5.368 582 H ILE 72 H ILE 72 2.482 15.189 6.923 583 HA ILE 72 HA ILE 72 1.277 17.415 5.659 584 HB ILE 72 HB ILE 72 0.398 14.974 7.171 585 1HG1 ILE 72 2HG1 ILE 72 1.124 14.876 4.815 586 2HG1 ILE 72 1HG1 ILE 72 -0.562 14.399 4.996 587 1HG2 ILE 72 1HG2 ILE 72 -1.382 16.350 7.920 588 2HG2 ILE 72 2HG2 ILE 72 -2.018 15.578 6.467 589 3HG2 ILE 72 3HG2 ILE 72 -1.444 17.244 6.400 590 1HD1 ILE 72 1HD1 ILE 72 0.546 16.979 3.887 591 2HD1 ILE 72 2HD1 ILE 72 -1.117 16.873 4.458 592 3HD1 ILE 72 3HD1 ILE 72 -0.575 15.852 3.128 593 H ALA 73 H ALA 73 1.297 16.559 9.137 594 HA ALA 73 HA ALA 73 -0.325 18.664 10.127 595 1HB ALA 73 1HB ALA 73 0.499 16.704 11.402 596 2HB ALA 73 2HB ALA 73 0.876 18.209 12.243 597 3HB ALA 73 3HB ALA 73 2.135 17.361 11.346 598 H ALA 74 H ALA 74 3.256 18.608 9.874 599 HA ALA 74 HA ALA 74 3.588 21.382 10.607 600 1HB ALA 74 1HB ALA 74 5.284 19.551 10.803 601 2HB ALA 74 2HB ALA 74 5.904 20.956 9.936 602 3HB ALA 74 3HB ALA 74 5.406 19.518 9.045 603 H TYR 75 H TYR 75 3.251 19.681 7.512 604 HA TYR 75 HA TYR 75 3.823 22.072 5.916 605 1HB TYR 75 2HB TYR 75 4.082 19.466 5.459 606 2HB TYR 75 1HB TYR 75 2.434 19.643 4.855 607 HD1 TYR 75 1HD TYR 75 1.947 21.309 3.037 608 HD2 TYR 75 2HD TYR 75 5.951 20.339 4.252 609 HE1 TYR 75 1HE TYR 75 2.824 22.303 0.941 610 HE2 TYR 75 2HE TYR 75 6.828 21.331 2.157 611 HH TYR 75 HH TYR 75 5.693 21.719 -0.308 612 H ARG 76 H ARG 76 1.094 21.053 7.668 613 HA ARG 76 HA ARG 76 -1.013 21.851 5.853 614 1HB ARG 76 2HB ARG 76 -1.283 20.287 7.760 615 2HB ARG 76 1HB ARG 76 -0.913 21.598 8.880 616 1HG ARG 76 2HG ARG 76 -2.917 22.728 8.416 617 2HG ARG 76 1HG ARG 76 -3.148 21.887 6.882 618 1HD ARG 76 2HD ARG 76 -3.181 20.401 9.522 619 2HD ARG 76 1HD ARG 76 -4.649 21.112 8.823 620 HE ARG 76 HE ARG 76 -3.047 19.455 6.984 621 1HH1 ARG 76 1HH1 ARG 76 -6.132 20.278 7.489 622 2HH1 ARG 76 2HH1 ARG 76 -6.789 18.679 7.596 623 1HH2 ARG 76 1HH2 ARG 76 -3.694 17.136 7.851 624 2HH2 ARG 76 2HH2 ARG 76 -5.409 16.900 7.801 625 H ALA 77 H ALA 77 0.491 23.903 5.432 626 HA ALA 77 HA ALA 77 0.662 26.255 5.512 627 1HB ALA 77 1HB ALA 77 -1.386 27.333 5.885 628 2HB ALA 77 2HB ALA 77 -1.825 26.251 7.206 629 3HB ALA 77 3HB ALA 77 -1.910 25.686 5.538 630 H LYS 78 H LYS 78 2.425 25.337 7.199 631 HA LYS 78 HA LYS 78 2.128 25.714 10.002 632 1HB LYS 78 2HB LYS 78 4.053 24.823 8.341 633 2HB LYS 78 1HB LYS 78 4.698 26.432 8.667 634 1HG LYS 78 2HG LYS 78 4.601 26.016 11.076 635 2HG LYS 78 1HG LYS 78 3.872 24.435 10.794 636 1HD LYS 78 2HD LYS 78 5.846 23.525 9.944 637 2HD LYS 78 1HD LYS 78 6.497 25.102 9.497 638 1HE LYS 78 2HE LYS 78 6.929 25.660 11.817 639 2HE LYS 78 1HE LYS 78 6.089 24.196 12.368 640 1HZ LYS 78 1HZ LYS 78 8.495 24.266 10.621 641 2HZ LYS 78 2HZ LYS 78 7.670 22.862 11.107 642 3HZ LYS 78 3HZ LYS 78 8.476 23.818 12.257 Start of MODEL 16 1 1H MET 1 1HT MET 1 -7.965 19.275 -8.041 2 2H MET 1 2HT MET 1 -9.626 19.019 -7.790 3 3H MET 1 3HT MET 1 -8.700 17.856 -8.614 4 HA MET 1 HA MET 1 -8.402 18.594 -5.744 5 1HB MET 1 2HB MET 1 -10.466 17.323 -6.645 6 2HB MET 1 1HB MET 1 -9.343 16.006 -6.989 7 1HG MET 1 2HG MET 1 -8.653 15.959 -4.629 8 2HG MET 1 1HG MET 1 -9.744 17.297 -4.275 9 1HE MET 1 1HE MET 1 -10.203 15.357 -2.397 10 2HE MET 1 2HE MET 1 -11.865 14.783 -2.512 11 3HE MET 1 3HE MET 1 -11.518 16.500 -2.703 12 H LYS 2 H LYS 2 -6.127 18.657 -5.680 13 HA LYS 2 HA LYS 2 -4.733 16.089 -5.927 14 1HB LYS 2 2HB LYS 2 -4.956 17.140 -8.262 15 2HB LYS 2 1HB LYS 2 -3.848 18.387 -7.686 16 1HG LYS 2 2HG LYS 2 -2.104 16.797 -7.307 17 2HG LYS 2 1HG LYS 2 -3.210 15.436 -7.499 18 1HD LYS 2 2HD LYS 2 -3.466 15.865 -9.847 19 2HD LYS 2 1HD LYS 2 -2.631 17.415 -9.715 20 1HE LYS 2 2HE LYS 2 -0.522 16.368 -9.337 21 2HE LYS 2 1HE LYS 2 -1.278 14.797 -9.007 22 1HZ LYS 2 1HZ LYS 2 -1.408 16.268 -11.586 23 2HZ LYS 2 2HZ LYS 2 -2.142 14.771 -11.262 24 3HZ LYS 2 3HZ LYS 2 -0.449 14.903 -11.285 25 H LYS 3 H LYS 3 -2.525 16.246 -5.068 26 HA LYS 3 HA LYS 3 -2.228 18.470 -3.121 27 1HB LYS 3 2HB LYS 3 -2.077 15.995 -2.568 28 2HB LYS 3 1HB LYS 3 -0.582 15.953 -3.503 29 1HG LYS 3 2HG LYS 3 0.132 16.305 -1.271 30 2HG LYS 3 1HG LYS 3 0.195 17.905 -2.009 31 1HD LYS 3 2HD LYS 3 -0.931 18.319 0.007 32 2HD LYS 3 1HD LYS 3 -2.256 18.137 -1.144 33 1HE LYS 3 2HE LYS 3 -2.845 16.019 -0.339 34 2HE LYS 3 1HE LYS 3 -1.227 15.717 0.326 35 1HZ LYS 3 1HZ LYS 3 -2.804 16.315 2.077 36 2HZ LYS 3 2HZ LYS 3 -3.127 17.789 1.295 37 3HZ LYS 3 3HZ LYS 3 -1.581 17.481 1.930 38 H ASP 4 H ASP 4 -0.470 19.891 -3.165 39 HA ASP 4 HA ASP 4 0.931 20.218 -5.719 40 1HB ASP 4 2HB ASP 4 0.541 21.661 -3.145 41 2HB ASP 4 1HB ASP 4 2.014 22.042 -4.035 42 HA PRO 5 HA PRO 5 4.730 18.263 -4.647 43 1HB PRO 5 2HB PRO 5 6.664 20.040 -5.419 44 2HB PRO 5 1HB PRO 5 5.695 19.103 -6.574 45 1HG PRO 5 2HG PRO 5 5.394 21.937 -5.712 46 2HG PRO 5 1HG PRO 5 5.193 21.217 -7.317 47 1HD PRO 5 2HD PRO 5 3.104 21.873 -5.699 48 2HD PRO 5 1HD PRO 5 3.038 20.565 -6.900 49 H ASN 6 H ASN 6 4.223 21.509 -3.403 50 HA ASN 6 HA ASN 6 6.398 21.714 -1.572 51 1HB ASN 6 2HB ASN 6 3.550 22.751 -1.568 52 2HB ASN 6 1HB ASN 6 4.759 23.269 -0.393 53 1HD2 ASN 6 1HD2 ASN 6 3.656 23.665 -3.676 54 2HD2 ASN 6 2HD2 ASN 6 4.848 24.774 -4.157 55 H ALA 7 H ALA 7 3.309 20.007 -1.347 56 HA ALA 7 HA ALA 7 3.463 19.456 1.502 57 1HB ALA 7 1HB ALA 7 1.346 19.446 0.345 58 2HB ALA 7 2HB ALA 7 1.663 17.785 0.849 59 3HB ALA 7 3HB ALA 7 1.932 18.265 -0.827 60 HA PRO 8 HA PRO 8 6.173 16.023 1.276 61 1HB PRO 8 2HB PRO 8 5.593 14.795 3.642 62 2HB PRO 8 1HB PRO 8 6.611 16.234 3.459 63 1HG PRO 8 2HG PRO 8 3.948 16.012 4.579 64 2HG PRO 8 1HG PRO 8 5.128 17.312 4.637 65 1HD PRO 8 2HD PRO 8 2.788 17.155 2.990 66 2HD PRO 8 1HD PRO 8 3.937 18.494 3.171 67 H LYS 9 H LYS 9 4.500 15.332 -0.499 68 HA LYS 9 HA LYS 9 3.313 13.609 -1.578 69 1HB LYS 9 2HB LYS 9 4.926 12.139 0.522 70 2HB LYS 9 1HB LYS 9 4.113 11.349 -0.832 71 1HG LYS 9 2HG LYS 9 6.035 13.634 -1.278 72 2HG LYS 9 1HG LYS 9 6.605 11.970 -1.143 73 1HD LYS 9 2HD LYS 9 5.532 11.298 -3.099 74 2HD LYS 9 1HD LYS 9 4.336 12.591 -3.006 75 1HE LYS 9 2HE LYS 9 6.263 14.228 -3.418 76 2HE LYS 9 1HE LYS 9 7.239 12.808 -3.846 77 1HZ LYS 9 1HZ LYS 9 6.066 13.768 -5.776 78 2HZ LYS 9 2HZ LYS 9 4.582 13.445 -5.015 79 3HZ LYS 9 3HZ LYS 9 5.605 12.166 -5.465 80 H ARG 10 H ARG 10 1.911 11.527 -1.052 81 HA ARG 10 HA ARG 10 0.010 12.296 1.125 82 1HB ARG 10 2HB ARG 10 -0.321 10.508 -1.311 83 2HB ARG 10 1HB ARG 10 -1.613 11.053 -0.242 84 1HG ARG 10 2HG ARG 10 -0.687 13.453 -0.870 85 2HG ARG 10 1HG ARG 10 -0.057 12.605 -2.283 86 1HD ARG 10 2HD ARG 10 -2.202 13.286 -3.005 87 2HD ARG 10 1HD ARG 10 -2.501 11.628 -2.446 88 HE ARG 10 HE ARG 10 -2.978 14.040 -0.732 89 1HH1 ARG 10 1HH1 ARG 10 -5.013 12.257 -2.387 90 2HH1 ARG 10 2HH1 ARG 10 -5.756 11.407 -1.074 91 1HH2 ARG 10 1HH2 ARG 10 -3.342 12.331 1.237 92 2HH2 ARG 10 2HH2 ARG 10 -4.810 11.449 0.979 93 HA PRO 11 HA PRO 11 0.967 8.540 3.263 94 1HB PRO 11 2HB PRO 11 -1.458 7.779 4.272 95 2HB PRO 11 1HB PRO 11 -0.539 9.158 4.908 96 1HG PRO 11 2HG PRO 11 -2.876 9.128 3.072 97 2HG PRO 11 1HG PRO 11 -2.477 10.258 4.374 98 1HD PRO 11 2HD PRO 11 -2.086 10.789 1.718 99 2HD PRO 11 1HD PRO 11 -1.148 11.538 3.029 100 HA PRO 12 HA PRO 12 -0.399 5.672 0.030 101 1HB PRO 12 2HB PRO 12 1.857 4.133 -0.014 102 2HB PRO 12 1HB PRO 12 1.740 5.697 -0.842 103 1HG PRO 12 2HG PRO 12 3.194 4.973 1.593 104 2HG PRO 12 1HG PRO 12 3.458 6.317 0.480 105 1HD PRO 12 2HD PRO 12 2.176 6.384 3.024 106 2HD PRO 12 1HD PRO 12 2.370 7.717 1.869 107 H SER 13 H SER 13 -1.118 3.502 0.075 108 HA SER 13 HA SER 13 -0.991 2.130 2.745 109 1HB SER 13 2HB SER 13 -3.189 3.052 1.637 110 2HB SER 13 1HB SER 13 -3.043 1.647 0.585 111 HG SER 13 HG SER 13 -3.418 1.781 3.375 112 H ALA 14 H ALA 14 -0.695 -0.248 2.623 113 HA ALA 14 HA ALA 14 1.232 -1.157 0.742 114 1HB ALA 14 1HB ALA 14 0.426 -2.075 3.037 115 2HB ALA 14 2HB ALA 14 0.939 -3.236 1.813 116 3HB ALA 14 3HB ALA 14 -0.779 -2.949 2.091 117 H PHE 15 H PHE 15 -2.294 -1.817 0.825 118 HA PHE 15 HA PHE 15 -2.434 -3.288 -1.620 119 1HB PHE 15 2HB PHE 15 -4.197 -3.136 0.133 120 2HB PHE 15 1HB PHE 15 -4.472 -1.452 -0.310 121 HD1 PHE 15 1HD PHE 15 -6.366 -1.123 -1.615 122 HD2 PHE 15 2HD PHE 15 -4.041 -4.693 -2.169 123 HE1 PHE 15 1HE PHE 15 -7.905 -1.846 -3.423 124 HE2 PHE 15 2HE PHE 15 -5.580 -5.415 -3.975 125 HZ PHE 15 HZ PHE 15 -7.511 -3.991 -4.603 126 H PHE 16 H PHE 16 -2.141 0.148 -0.977 127 HA PHE 16 HA PHE 16 -3.058 1.060 -3.578 128 1HB PHE 16 2HB PHE 16 -2.852 2.293 -1.295 129 2HB PHE 16 1HB PHE 16 -1.155 2.503 -1.727 130 HD1 PHE 16 1HD PHE 16 -4.596 3.514 -2.423 131 HD2 PHE 16 2HD PHE 16 -0.526 3.776 -3.772 132 HE1 PHE 16 1HE PHE 16 -5.203 5.426 -3.881 133 HE2 PHE 16 2HE PHE 16 -1.133 5.688 -5.230 134 HZ PHE 16 HZ PHE 16 -3.470 6.513 -5.284 135 H LEU 17 H LEU 17 0.095 0.178 -2.181 136 HA LEU 17 HA LEU 17 1.711 1.090 -4.400 137 1HB LEU 17 2HB LEU 17 1.956 -0.858 -2.115 138 2HB LEU 17 1HB LEU 17 3.205 -0.842 -3.363 139 HG LEU 17 HG LEU 17 3.271 1.711 -2.993 140 1HD1 LEU 17 1HD1 LEU 17 2.589 2.425 -0.728 141 2HD1 LEU 17 2HD1 LEU 17 1.887 0.832 -0.454 142 3HD1 LEU 17 3HD1 LEU 17 1.208 1.895 -1.687 143 1HD2 LEU 17 1HD2 LEU 17 4.629 1.361 -0.818 144 2HD2 LEU 17 2HD2 LEU 17 5.155 0.502 -2.267 145 3HD2 LEU 17 3HD2 LEU 17 4.236 -0.345 -1.022 146 H PHE 18 H PHE 18 1.144 -2.284 -3.509 147 HA PHE 18 HA PHE 18 1.587 -3.714 -5.793 148 1HB PHE 18 2HB PHE 18 0.768 -4.720 -3.742 149 2HB PHE 18 1HB PHE 18 -0.784 -3.902 -3.903 150 HD1 PHE 18 1HD PHE 18 1.453 -6.352 -5.647 151 HD2 PHE 18 2HD PHE 18 -2.558 -4.954 -5.017 152 HE1 PHE 18 1HE PHE 18 0.579 -8.264 -6.962 153 HE2 PHE 18 2HE PHE 18 -3.432 -6.865 -6.330 154 HZ PHE 18 HZ PHE 18 -1.866 -8.522 -7.302 155 H CYS 19 H CYS 19 -1.660 -2.198 -5.213 156 HA CYS 19 HA CYS 19 -2.672 -2.739 -7.831 157 1HB CYS 19 2HB CYS 19 -3.999 -2.145 -5.812 158 2HB CYS 19 1HB CYS 19 -3.333 -0.513 -5.874 159 HG CYS 19 HG CYS 19 -5.568 -0.380 -7.167 160 H SER 20 H SER 20 -1.048 0.139 -6.489 161 HA SER 20 HA SER 20 -1.265 1.857 -8.736 162 1HB SER 20 2HB SER 20 0.681 1.521 -6.468 163 2HB SER 20 1HB SER 20 0.989 2.729 -7.711 164 HG SER 20 HG SER 20 -1.222 2.492 -5.959 165 H GLU 21 H GLU 21 1.040 -0.779 -8.104 166 HA GLU 21 HA GLU 21 2.613 -0.106 -10.509 167 1HB GLU 21 2HB GLU 21 3.984 -2.025 -9.753 168 2HB GLU 21 1HB GLU 21 3.691 -0.888 -8.440 169 1HG GLU 21 2HG GLU 21 2.120 -2.304 -7.402 170 2HG GLU 21 1HG GLU 21 1.877 -3.257 -8.865 171 H HIS 22 H HIS 22 0.025 -2.329 -9.603 172 HA HIS 22 HA HIS 22 0.354 -3.827 -12.160 173 1HB HIS 22 2HB HIS 22 -1.237 -4.210 -9.613 174 2HB HIS 22 1HB HIS 22 -1.449 -5.244 -11.025 175 HD1 HIS 22 1HD HIS 22 1.032 -6.213 -11.954 176 HD2 HIS 22 2HD HIS 22 0.694 -5.195 -7.928 177 HE1 HIS 22 1HE HIS 22 2.920 -7.401 -10.755 178 H ARG 23 H ARG 23 -0.855 -0.968 -11.687 179 HA ARG 23 HA ARG 23 -3.659 -1.349 -12.493 180 1HB ARG 23 2HB ARG 23 -2.934 0.399 -10.897 181 2HB ARG 23 1HB ARG 23 -1.953 1.139 -12.158 182 1HG ARG 23 2HG ARG 23 -3.920 1.598 -13.503 183 2HG ARG 23 1HG ARG 23 -4.944 0.714 -12.371 184 1HD ARG 23 2HD ARG 23 -3.308 3.130 -11.540 185 2HD ARG 23 1HD ARG 23 -4.996 3.243 -12.079 186 HE ARG 23 HE ARG 23 -4.525 1.211 -10.014 187 1HH1 ARG 23 1HH2 ARG 23 -3.846 4.219 -9.301 188 2HH1 ARG 23 2HH2 ARG 23 -5.295 4.630 -8.447 189 1HH2 ARG 23 1HH1 ARG 23 -7.046 1.842 -9.536 190 2HH2 ARG 23 2HH1 ARG 23 -7.107 3.285 -8.580 191 HA PRO 24 HA PRO 24 -1.969 0.489 -16.545 192 1HB PRO 24 2HB PRO 24 0.721 0.487 -17.016 193 2HB PRO 24 1HB PRO 24 -0.122 1.842 -16.240 194 1HG PRO 24 2HG PRO 24 1.576 -0.263 -15.043 195 2HG PRO 24 1HG PRO 24 1.353 1.424 -14.561 196 1HD PRO 24 2HD PRO 24 0.195 -0.768 -13.333 197 2HD PRO 24 1HD PRO 24 -0.355 0.911 -13.173 198 H LYS 25 H LYS 25 -0.840 -2.375 -15.025 199 HA LYS 25 HA LYS 25 0.035 -3.763 -17.457 200 1HB LYS 25 2HB LYS 25 0.926 -4.203 -15.170 201 2HB LYS 25 1HB LYS 25 -0.676 -4.747 -14.671 202 1HG LYS 25 2HG LYS 25 -0.612 -6.543 -16.343 203 2HG LYS 25 1HG LYS 25 0.968 -5.987 -16.896 204 1HD LYS 25 2HD LYS 25 1.974 -6.501 -14.758 205 2HD LYS 25 1HD LYS 25 0.398 -6.862 -14.052 206 1HE LYS 25 2HE LYS 25 0.238 -8.633 -15.998 207 2HE LYS 25 1HE LYS 25 2.007 -8.487 -16.006 208 1HZ LYS 25 1HZ LYS 25 0.301 -9.052 -13.637 209 2HZ LYS 25 2HZ LYS 25 1.982 -8.813 -13.590 210 3HZ LYS 25 3HZ LYS 25 1.334 -10.154 -14.407 211 H ILE 26 H ILE 26 -2.865 -3.595 -15.412 212 HA ILE 26 HA ILE 26 -4.321 -5.692 -16.786 213 HB ILE 26 HB ILE 26 -5.240 -3.339 -15.090 214 1HG1 ILE 26 2HG1 ILE 26 -3.629 -4.778 -13.919 215 2HG1 ILE 26 1HG1 ILE 26 -5.239 -4.992 -13.246 216 1HG2 ILE 26 1HG2 ILE 26 -7.245 -4.080 -15.949 217 2HG2 ILE 26 2HG2 ILE 26 -7.075 -5.241 -14.633 218 3HG2 ILE 26 3HG2 ILE 26 -6.630 -5.701 -16.276 219 1HD1 ILE 26 1HD1 ILE 26 -4.313 -7.192 -13.501 220 2HD1 ILE 26 2HD1 ILE 26 -3.778 -6.844 -15.146 221 3HD1 ILE 26 3HD1 ILE 26 -5.499 -6.996 -14.791 222 H LYS 27 H LYS 27 -3.504 -2.472 -17.678 223 HA LYS 27 HA LYS 27 -5.893 -1.949 -19.300 224 1HB LYS 27 2HB LYS 27 -3.210 -0.653 -18.800 225 2HB LYS 27 1HB LYS 27 -4.296 -0.038 -20.047 226 1HG LYS 27 2HG LYS 27 -6.108 -0.003 -18.231 227 2HG LYS 27 1HG LYS 27 -4.796 -0.231 -17.074 228 1HD LYS 27 2HD LYS 27 -3.801 1.837 -17.607 229 2HD LYS 27 1HD LYS 27 -4.673 1.964 -19.136 230 1HE LYS 27 2HE LYS 27 -5.809 3.475 -17.681 231 2HE LYS 27 1HE LYS 27 -6.821 2.017 -17.661 232 1HZ LYS 27 1HZ LYS 27 -6.352 2.712 -15.406 233 2HZ LYS 27 2HZ LYS 27 -4.681 2.695 -15.710 234 3HZ LYS 27 3HZ LYS 27 -5.565 1.244 -15.722 235 H SER 28 H SER 28 -2.855 -3.601 -19.716 236 HA SER 28 HA SER 28 -2.660 -3.312 -22.607 237 1HB SER 28 2HB SER 28 -1.423 -5.013 -20.451 238 2HB SER 28 1HB SER 28 -1.112 -5.381 -22.144 239 HG SER 28 HG SER 28 0.144 -3.646 -20.720 240 H GLU 29 H GLU 29 -3.800 -5.911 -20.417 241 HA GLU 29 HA GLU 29 -4.800 -7.507 -22.690 242 1HB GLU 29 2HB GLU 29 -4.877 -7.837 -19.675 243 2HB GLU 29 1HB GLU 29 -5.385 -9.069 -20.830 244 1HG GLU 29 2HG GLU 29 -3.109 -9.042 -21.827 245 2HG GLU 29 1HG GLU 29 -2.609 -7.870 -20.607 246 H HIS 30 H HIS 30 -5.997 -4.819 -21.174 247 HA HIS 30 HA HIS 30 -8.783 -5.513 -21.882 248 1HB HIS 30 2HB HIS 30 -7.945 -4.512 -19.138 249 2HB HIS 30 1HB HIS 30 -9.601 -4.762 -19.673 250 HD1 HIS 30 1HD HIS 30 -10.503 -7.153 -19.695 251 HD2 HIS 30 2HD HIS 30 -6.451 -6.955 -18.755 252 HE1 HIS 30 1HE HIS 30 -9.848 -9.457 -18.872 253 HA PRO 31 HA PRO 31 -7.391 -1.290 -23.088 254 1HB PRO 31 2HB PRO 31 -8.925 -1.196 -25.368 255 2HB PRO 31 1HB PRO 31 -7.299 -1.909 -25.317 256 1HG PRO 31 2HG PRO 31 -9.958 -3.262 -25.176 257 2HG PRO 31 1HG PRO 31 -8.509 -3.721 -26.089 258 1HD PRO 31 2HD PRO 31 -9.154 -4.924 -23.770 259 2HD PRO 31 1HD PRO 31 -7.461 -4.628 -24.230 260 H GLY 32 H GLY 32 -8.703 -0.825 -21.106 261 1HA GLY 32 2HA GLY 32 -10.367 1.020 -20.728 262 2HA GLY 32 1HA GLY 32 -11.446 0.134 -21.808 263 H LEU 33 H LEU 33 -9.531 -0.494 -18.811 264 HA LEU 33 HA LEU 33 -11.772 -2.210 -17.827 265 1HB LEU 33 2HB LEU 33 -9.114 -2.752 -18.143 266 2HB LEU 33 1HB LEU 33 -9.095 -2.088 -16.514 267 HG LEU 33 HG LEU 33 -9.354 -4.578 -16.579 268 1HD1 LEU 33 1HD1 LEU 33 -10.723 -4.592 -14.744 269 2HD1 LEU 33 2HD1 LEU 33 -11.922 -3.535 -15.484 270 3HD1 LEU 33 3HD1 LEU 33 -10.418 -2.859 -14.855 271 1HD2 LEU 33 1HD2 LEU 33 -11.152 -4.088 -18.631 272 2HD2 LEU 33 2HD2 LEU 33 -12.208 -4.478 -17.275 273 3HD2 LEU 33 3HD2 LEU 33 -10.965 -5.622 -17.783 274 H SER 34 H SER 34 -12.572 -1.664 -15.619 275 HA SER 34 HA SER 34 -11.905 1.135 -14.837 276 1HB SER 34 2HB SER 34 -14.119 0.826 -13.610 277 2HB SER 34 1HB SER 34 -14.219 0.718 -15.364 278 HG SER 34 HG SER 34 -15.288 -0.993 -14.124 279 H ILE 35 H ILE 35 -12.794 1.005 -12.188 280 HA ILE 35 HA ILE 35 -10.568 -0.454 -10.895 281 HB ILE 35 HB ILE 35 -12.695 1.438 -9.834 282 1HG1 ILE 35 2HG1 ILE 35 -11.267 2.496 -11.549 283 2HG1 ILE 35 1HG1 ILE 35 -10.910 3.149 -9.952 284 1HG2 ILE 35 1HG2 ILE 35 -10.776 1.750 -8.072 285 2HG2 ILE 35 2HG2 ILE 35 -10.257 0.158 -8.628 286 3HG2 ILE 35 3HG2 ILE 35 -11.864 0.368 -7.931 287 1HD1 ILE 35 1HD1 ILE 35 -9.002 1.514 -9.786 288 2HD1 ILE 35 2HD1 ILE 35 -8.805 2.705 -11.072 289 3HD1 ILE 35 3HD1 ILE 35 -9.310 1.061 -11.463 290 H GLY 36 H GLY 36 -13.325 -1.654 -11.955 291 1HA GLY 36 2HA GLY 36 -14.283 -2.863 -9.424 292 2HA GLY 36 1HA GLY 36 -15.097 -2.966 -10.986 293 H ASP 37 H ASP 37 -13.639 -4.098 -12.721 294 HA ASP 37 HA ASP 37 -13.172 -6.804 -11.861 295 1HB ASP 37 2HB ASP 37 -12.647 -5.155 -14.328 296 2HB ASP 37 1HB ASP 37 -12.056 -6.814 -14.235 297 H THR 38 H THR 38 -10.897 -4.205 -12.847 298 HA THR 38 HA THR 38 -8.486 -5.644 -12.415 299 HB THR 38 HB THR 38 -9.260 -2.712 -12.326 300 HG1 THR 38 1HG THR 38 -8.390 -2.749 -14.366 301 1HG2 THR 38 1HG2 THR 38 -7.241 -2.780 -11.032 302 2HG2 THR 38 2HG2 THR 38 -6.763 -2.309 -12.662 303 3HG2 THR 38 3HG2 THR 38 -6.512 -3.965 -12.115 304 H ALA 39 H ALA 39 -10.550 -3.862 -10.139 305 HA ALA 39 HA ALA 39 -8.679 -3.985 -7.911 306 1HB ALA 39 1HB ALA 39 -10.468 -2.300 -8.138 307 2HB ALA 39 2HB ALA 39 -10.685 -3.226 -6.653 308 3HB ALA 39 3HB ALA 39 -11.685 -3.574 -8.063 309 H LYS 40 H LYS 40 -11.214 -6.065 -9.188 310 HA LYS 40 HA LYS 40 -11.383 -7.790 -6.833 311 1HB LYS 40 2HB LYS 40 -12.354 -7.835 -9.692 312 2HB LYS 40 1HB LYS 40 -12.595 -9.228 -8.637 313 1HG LYS 40 2HG LYS 40 -13.826 -7.881 -7.039 314 2HG LYS 40 1HG LYS 40 -13.466 -6.410 -7.944 315 1HD LYS 40 2HD LYS 40 -14.797 -7.143 -9.814 316 2HD LYS 40 1HD LYS 40 -14.997 -8.747 -9.111 317 1HE LYS 40 2HE LYS 40 -16.213 -7.707 -7.180 318 2HE LYS 40 1HE LYS 40 -16.112 -6.142 -8.012 319 1HZ LYS 40 1HZ LYS 40 -18.177 -7.300 -8.560 320 2HZ LYS 40 2HZ LYS 40 -17.291 -8.624 -9.148 321 3HZ LYS 40 3HZ LYS 40 -17.196 -7.118 -9.931 322 H LYS 41 H LYS 41 -9.578 -7.744 -9.863 323 HA LYS 41 HA LYS 41 -8.488 -10.452 -9.516 324 1HB LYS 41 2HB LYS 41 -8.373 -8.193 -11.455 325 2HB LYS 41 1HB LYS 41 -7.001 -9.303 -11.457 326 1HG LYS 41 2HG LYS 41 -8.913 -11.140 -11.425 327 2HG LYS 41 1HG LYS 41 -9.870 -9.835 -12.127 328 1HD LYS 41 2HD LYS 41 -7.149 -10.341 -13.257 329 2HD LYS 41 1HD LYS 41 -8.439 -11.472 -13.667 330 1HE LYS 41 2HE LYS 41 -9.851 -9.516 -14.385 331 2HE LYS 41 1HE LYS 41 -8.438 -8.471 -14.133 332 1HZ LYS 41 1HZ LYS 41 -7.169 -9.815 -15.648 333 2HZ LYS 41 2HZ LYS 41 -8.592 -9.313 -16.432 334 3HZ LYS 41 3HZ LYS 41 -8.457 -10.901 -15.843 335 H LEU 42 H LEU 42 -7.582 -7.178 -8.659 336 HA LEU 42 HA LEU 42 -4.746 -7.773 -8.198 337 1HB LEU 42 2HB LEU 42 -6.634 -5.509 -8.104 338 2HB LEU 42 1HB LEU 42 -5.369 -5.428 -6.883 339 HG LEU 42 HG LEU 42 -3.670 -5.790 -8.671 340 1HD1 LEU 42 1HD1 LEU 42 -5.562 -6.837 -10.191 341 2HD1 LEU 42 2HD1 LEU 42 -4.231 -5.946 -10.928 342 3HD1 LEU 42 3HD1 LEU 42 -5.795 -5.165 -10.696 343 1HD2 LEU 42 1HD2 LEU 42 -4.508 -3.523 -7.862 344 2HD2 LEU 42 2HD2 LEU 42 -5.492 -3.468 -9.325 345 3HD2 LEU 42 3HD2 LEU 42 -3.733 -3.531 -9.446 346 H GLY 43 H GLY 43 -7.449 -6.824 -6.028 347 1HA GLY 43 2HA GLY 43 -6.170 -7.281 -3.568 348 2HA GLY 43 1HA GLY 43 -7.912 -7.450 -3.804 349 H GLU 44 H GLU 44 -7.496 -9.600 -5.835 350 HA GLU 44 HA GLU 44 -7.474 -11.882 -4.026 351 1HB GLU 44 2HB GLU 44 -8.732 -11.499 -6.268 352 2HB GLU 44 1HB GLU 44 -7.205 -11.921 -7.043 353 1HG GLU 44 2HG GLU 44 -7.195 -14.054 -5.710 354 2HG GLU 44 1HG GLU 44 -8.815 -13.646 -5.142 355 H MET 45 H MET 45 -5.221 -10.421 -6.352 356 HA MET 45 HA MET 45 -3.176 -12.487 -6.002 357 1HB MET 45 2HB MET 45 -3.523 -9.874 -7.440 358 2HB MET 45 1HB MET 45 -1.892 -10.518 -7.239 359 1HG MET 45 2HG MET 45 -2.377 -12.468 -8.469 360 2HG MET 45 1HG MET 45 -4.116 -12.255 -8.285 361 1HE MET 45 1HE MET 45 -3.861 -12.907 -11.010 362 2HE MET 45 2HE MET 45 -4.582 -11.534 -11.846 363 3HE MET 45 3HE MET 45 -5.255 -12.074 -10.310 364 H TRP 46 H TRP 46 -3.834 -9.208 -4.771 365 HA TRP 46 HA TRP 46 -1.367 -8.699 -3.439 366 1HB TRP 46 2HB TRP 46 -3.141 -7.043 -3.786 367 2HB TRP 46 1HB TRP 46 -4.237 -7.946 -2.749 368 HD1 TRP 46 HD TRP 46 -4.425 -6.740 -0.506 369 HE1 TRP 46 1HE TRP 46 -2.780 -5.576 1.107 370 HE3 TRP 46 3HE TRP 46 -0.124 -7.157 -3.198 371 HZ2 TRP 46 2HZ TRP 46 0.009 -4.915 1.226 372 HZ3 TRP 46 3HZ TRP 46 2.013 -6.254 -2.324 373 HH2 TRP 46 HH TRP 46 2.080 -5.131 -0.118 374 H SER 47 H SER 47 -4.396 -10.073 -2.083 375 HA SER 47 HA SER 47 -3.259 -10.869 0.430 376 1HB SER 47 2HB SER 47 -5.733 -10.609 -0.549 377 2HB SER 47 1HB SER 47 -5.541 -12.336 -0.840 378 HG SER 47 HG SER 47 -5.800 -10.935 1.520 379 H GLU 48 H GLU 48 -2.819 -12.170 -2.726 380 HA GLU 48 HA GLU 48 -2.119 -14.867 -1.678 381 1HB GLU 48 2HB GLU 48 -2.924 -13.664 -4.319 382 2HB GLU 48 1HB GLU 48 -2.067 -15.204 -4.282 383 1HG GLU 48 2HG GLU 48 -4.467 -14.788 -2.520 384 2HG GLU 48 1HG GLU 48 -4.684 -15.212 -4.218 385 H GLN 49 H GLN 49 -0.679 -11.886 -2.558 386 HA GLN 49 HA GLN 49 1.720 -12.912 -3.818 387 1HB GLN 49 2HB GLN 49 0.539 -10.385 -2.966 388 2HB GLN 49 1HB GLN 49 2.247 -10.443 -2.541 389 1HG GLN 49 2HG GLN 49 2.059 -9.528 -4.770 390 2HG GLN 49 1HG GLN 49 2.742 -11.148 -4.903 391 1HE2 GLN 49 1HE2 GLN 49 1.340 -12.860 -5.781 392 2HE2 GLN 49 2HE2 GLN 49 -0.087 -12.478 -6.613 393 H SER 50 H SER 50 3.727 -13.285 -2.813 394 HA SER 50 HA SER 50 3.615 -13.944 0.082 395 1HB SER 50 2HB SER 50 5.598 -15.246 -0.442 396 2HB SER 50 1HB SER 50 4.430 -15.526 -1.731 397 HG SER 50 HG SER 50 6.841 -14.773 -2.074 398 H ALA 51 H ALA 51 6.546 -13.594 0.349 399 HA ALA 51 HA ALA 51 6.605 -10.825 1.185 400 1HB ALA 51 1HB ALA 51 9.066 -11.428 1.530 401 2HB ALA 51 2HB ALA 51 8.685 -13.006 0.840 402 3HB ALA 51 3HB ALA 51 7.911 -12.487 2.337 403 H LYS 52 H LYS 52 7.326 -12.427 -1.832 404 HA LYS 52 HA LYS 52 9.245 -10.661 -2.971 405 1HB LYS 52 2HB LYS 52 7.982 -12.925 -3.713 406 2HB LYS 52 1HB LYS 52 7.050 -11.765 -4.661 407 1HG LYS 52 2HG LYS 52 8.940 -11.039 -5.862 408 2HG LYS 52 1HG LYS 52 10.062 -11.676 -4.659 409 1HD LYS 52 2HD LYS 52 10.228 -13.287 -6.338 410 2HD LYS 52 1HD LYS 52 8.987 -13.991 -5.300 411 1HE LYS 52 2HE LYS 52 7.218 -13.202 -6.750 412 2HE LYS 52 1HE LYS 52 8.367 -12.249 -7.710 413 1HZ LYS 52 1HZ LYS 52 9.525 -14.248 -8.320 414 2HZ LYS 52 2HZ LYS 52 7.882 -14.435 -8.713 415 3HZ LYS 52 3HZ LYS 52 8.519 -15.192 -7.333 416 H ASP 53 H ASP 53 5.660 -10.541 -3.171 417 HA ASP 53 HA ASP 53 5.903 -7.633 -3.876 418 1HB ASP 53 2HB ASP 53 4.299 -9.901 -4.987 419 2HB ASP 53 1HB ASP 53 3.581 -8.291 -4.988 420 H LYS 54 H LYS 54 5.790 -7.878 -1.341 421 HA LYS 54 HA LYS 54 3.220 -6.875 -0.475 422 1HB LYS 54 2HB LYS 54 3.311 -9.574 -0.757 423 2HB LYS 54 1HB LYS 54 3.841 -9.410 0.910 424 1HG LYS 54 2HG LYS 54 1.801 -7.846 1.194 425 2HG LYS 54 1HG LYS 54 1.255 -8.495 -0.344 426 1HD LYS 54 2HD LYS 54 0.234 -9.805 1.408 427 2HD LYS 54 1HD LYS 54 1.461 -10.801 0.627 428 1HE LYS 54 2HE LYS 54 2.286 -11.154 2.723 429 2HE LYS 54 1HE LYS 54 2.873 -9.482 2.653 430 1HZ LYS 54 1HZ LYS 54 0.226 -10.409 3.633 431 2HZ LYS 54 2HZ LYS 54 0.622 -8.776 3.378 432 3HZ LYS 54 3HZ LYS 54 1.455 -9.683 4.550 433 H GLN 55 H GLN 55 6.325 -8.299 0.464 434 HA GLN 55 HA GLN 55 6.313 -7.236 3.170 435 1HB GLN 55 2HB GLN 55 8.156 -8.656 1.320 436 2HB GLN 55 1HB GLN 55 8.908 -7.768 2.643 437 1HG GLN 55 2HG GLN 55 6.654 -9.762 3.002 438 2HG GLN 55 1HG GLN 55 8.361 -10.146 3.228 439 1HE2 GLN 55 1HE2 GLN 55 5.636 -9.237 4.937 440 2HE2 GLN 55 2HE2 GLN 55 6.384 -8.495 6.269 441 HA PRO 56 HA PRO 56 9.285 -3.927 1.439 442 1HB PRO 56 2HB PRO 56 9.539 -3.639 -1.268 443 2HB PRO 56 1HB PRO 56 10.576 -4.707 -0.303 444 1HG PRO 56 2HG PRO 56 8.237 -5.377 -2.013 445 2HG PRO 56 1HG PRO 56 9.751 -6.263 -1.770 446 1HD PRO 56 2HD PRO 56 7.388 -6.936 -0.585 447 2HD PRO 56 1HD PRO 56 8.981 -7.321 0.100 448 H TYR 57 H TYR 57 6.143 -4.569 0.205 449 HA TYR 57 HA TYR 57 5.674 -1.813 -0.757 450 1HB TYR 57 2HB TYR 57 4.096 -4.381 -0.569 451 2HB TYR 57 1HB TYR 57 3.318 -2.864 -1.022 452 HD1 TYR 57 1HD TYR 57 5.147 -1.465 -2.699 453 HD2 TYR 57 2HD TYR 57 4.489 -5.703 -2.452 454 HE1 TYR 57 1HE TYR 57 5.988 -1.728 -5.015 455 HE2 TYR 57 2HE TYR 57 5.328 -5.964 -4.771 456 HH TYR 57 HH TYR 57 5.702 -4.726 -6.750 457 H GLU 58 H GLU 58 4.829 -3.872 2.017 458 HA GLU 58 HA GLU 58 3.112 -1.788 3.200 459 1HB GLU 58 2HB GLU 58 2.827 -3.494 4.965 460 2HB GLU 58 1HB GLU 58 2.611 -4.209 3.370 461 1HG GLU 58 2HG GLU 58 4.146 -5.749 3.989 462 2HG GLU 58 1HG GLU 58 5.347 -4.472 3.832 463 H GLN 59 H GLN 59 6.450 -2.863 3.434 464 HA GLN 59 HA GLN 59 6.944 -1.408 5.955 465 1HB GLN 59 2HB GLN 59 8.740 -2.835 3.973 466 2HB GLN 59 1HB GLN 59 9.250 -2.248 5.554 467 1HG GLN 59 2HG GLN 59 7.526 -3.700 6.616 468 2HG GLN 59 1HG GLN 59 7.124 -4.344 5.025 469 1HE2 GLN 59 1HE2 GLN 59 9.372 -5.002 3.785 470 2HE2 GLN 59 2HE2 GLN 59 10.396 -5.979 4.724 471 H LYS 60 H LYS 60 6.586 -0.495 2.743 472 HA LYS 60 HA LYS 60 8.634 1.672 2.888 473 1HB LYS 60 2HB LYS 60 8.513 0.095 0.924 474 2HB LYS 60 1HB LYS 60 6.893 0.707 0.592 475 1HG LYS 60 2HG LYS 60 8.981 2.783 0.933 476 2HG LYS 60 1HG LYS 60 9.158 1.764 -0.495 477 1HD LYS 60 2HD LYS 60 6.893 2.291 -1.214 478 2HD LYS 60 1HD LYS 60 6.602 3.205 0.267 479 1HE LYS 60 2HE LYS 60 8.196 4.896 -0.358 480 2HE LYS 60 1HE LYS 60 8.801 3.911 -1.703 481 1HZ LYS 60 1HZ LYS 60 6.563 3.945 -2.660 482 2HZ LYS 60 2HZ LYS 60 7.201 5.513 -2.518 483 3HZ LYS 60 3HZ LYS 60 6.036 4.963 -1.409 484 H ALA 61 H ALA 61 5.191 0.973 2.757 485 HA ALA 61 HA ALA 61 4.478 3.842 2.539 486 1HB ALA 61 1HB ALA 61 2.584 1.530 2.908 487 2HB ALA 61 2HB ALA 61 3.414 1.740 1.366 488 3HB ALA 61 3HB ALA 61 2.350 3.009 1.977 489 H ALA 62 H ALA 62 4.547 1.182 4.843 490 HA ALA 62 HA ALA 62 2.938 2.492 6.887 491 1HB ALA 62 1HB ALA 62 3.269 0.028 6.622 492 2HB ALA 62 2HB ALA 62 3.689 0.590 8.239 493 3HB ALA 62 3HB ALA 62 4.962 0.234 7.072 494 H LYS 63 H LYS 63 6.409 2.349 6.099 495 HA LYS 63 HA LYS 63 7.145 3.752 8.595 496 1HB LYS 63 2HB LYS 63 8.448 1.900 7.413 497 2HB LYS 63 1HB LYS 63 8.827 3.088 6.165 498 1HG LYS 63 2HG LYS 63 10.657 3.374 7.556 499 2HG LYS 63 1HG LYS 63 9.550 4.552 8.261 500 1HD LYS 63 2HD LYS 63 10.347 3.306 10.115 501 2HD LYS 63 1HD LYS 63 8.753 2.627 9.780 502 1HE LYS 63 2HE LYS 63 9.655 0.682 8.785 503 2HE LYS 63 1HE LYS 63 11.239 1.442 8.531 504 1HZ LYS 63 1HZ LYS 63 9.995 0.868 11.171 505 2HZ LYS 63 2HZ LYS 63 11.499 1.619 10.929 506 3HZ LYS 63 3HZ LYS 63 11.275 -0.003 10.478 507 H LEU 64 H LEU 64 5.919 4.679 5.574 508 HA LEU 64 HA LEU 64 7.366 7.293 5.576 509 1HB LEU 64 2HB LEU 64 6.136 5.478 3.591 510 2HB LEU 64 1HB LEU 64 5.809 7.189 3.314 511 HG LEU 64 HG LEU 64 8.590 6.112 3.830 512 1HD1 LEU 64 1HD1 LEU 64 8.660 6.716 1.223 513 2HD1 LEU 64 2HD1 LEU 64 6.960 6.261 1.332 514 3HD1 LEU 64 3HD1 LEU 64 8.213 5.106 1.787 515 1HD2 LEU 64 1HD2 LEU 64 8.266 8.507 4.263 516 2HD2 LEU 64 2HD2 LEU 64 7.524 8.711 2.677 517 3HD2 LEU 64 3HD2 LEU 64 9.231 8.287 2.804 518 H LYS 65 H LYS 65 4.255 5.764 6.077 519 HA LYS 65 HA LYS 65 2.618 8.146 5.821 520 1HB LYS 65 2HB LYS 65 1.802 5.819 5.584 521 2HB LYS 65 1HB LYS 65 2.195 5.508 7.275 522 1HG LYS 65 2HG LYS 65 0.635 7.390 7.900 523 2HG LYS 65 1HG LYS 65 0.143 7.467 6.207 524 1HD LYS 65 2HD LYS 65 -1.466 6.021 7.056 525 2HD LYS 65 1HD LYS 65 -0.239 4.871 6.526 526 1HE LYS 65 2HE LYS 65 0.709 4.868 8.844 527 2HE LYS 65 1HE LYS 65 -0.634 5.911 9.354 528 1HZ LYS 65 1HZ LYS 65 -0.900 3.255 8.045 529 2HZ LYS 65 2HZ LYS 65 -2.189 4.265 8.500 530 3HZ LYS 65 3HZ LYS 65 -1.185 3.576 9.686 531 H GLU 66 H GLU 66 4.148 6.431 8.548 532 HA GLU 66 HA GLU 66 3.064 8.025 10.667 533 1HB GLU 66 2HB GLU 66 4.383 5.782 10.643 534 2HB GLU 66 1HB GLU 66 5.823 6.801 10.651 535 1HG GLU 66 2HG GLU 66 3.611 7.232 12.654 536 2HG GLU 66 1HG GLU 66 4.874 6.033 12.940 537 H LYS 67 H LYS 67 5.870 8.471 8.554 538 HA LYS 67 HA LYS 67 6.990 10.724 10.014 539 1HB LYS 67 2HB LYS 67 8.033 9.040 8.315 540 2HB LYS 67 1HB LYS 67 7.385 10.126 7.085 541 1HG LYS 67 2HG LYS 67 9.542 10.982 7.439 542 2HG LYS 67 1HG LYS 67 8.546 12.004 8.476 543 1HD LYS 67 2HD LYS 67 9.244 10.922 10.434 544 2HD LYS 67 1HD LYS 67 9.749 9.471 9.567 545 1HE LYS 67 2HE LYS 67 11.494 11.046 8.418 546 2HE LYS 67 1HE LYS 67 11.177 12.116 9.798 547 1HZ LYS 67 1HZ LYS 67 11.932 9.245 9.952 548 2HZ LYS 67 2HZ LYS 67 11.559 10.232 11.283 549 3HZ LYS 67 3HZ LYS 67 12.935 10.555 10.341 550 H TYR 68 H TYR 68 4.449 10.362 7.652 551 HA TYR 68 HA TYR 68 4.461 13.086 6.622 552 1HB TYR 68 2HB TYR 68 3.493 10.963 5.598 553 2HB TYR 68 1HB TYR 68 2.194 11.073 6.781 554 HD1 TYR 68 1HD TYR 68 0.245 11.810 5.772 555 HD2 TYR 68 2HD TYR 68 3.974 13.623 4.652 556 HE1 TYR 68 1HE TYR 68 -0.969 13.381 4.295 557 HE2 TYR 68 2HE TYR 68 2.756 15.192 3.176 558 HH TYR 68 HH TYR 68 -0.501 15.741 3.344 559 H GLU 69 H GLU 69 2.888 11.401 9.282 560 HA GLU 69 HA GLU 69 0.934 13.338 10.028 561 1HB GLU 69 2HB GLU 69 2.557 11.337 11.634 562 2HB GLU 69 1HB GLU 69 1.140 12.180 12.261 563 1HG GLU 69 2HG GLU 69 -0.081 11.270 10.168 564 2HG GLU 69 1HG GLU 69 1.282 10.159 10.026 565 H LYS 70 H LYS 70 4.374 13.052 10.853 566 HA LYS 70 HA LYS 70 4.314 15.376 12.664 567 1HB LYS 70 2HB LYS 70 6.588 13.752 11.459 568 2HB LYS 70 1HB LYS 70 6.732 14.868 12.815 569 1HG LYS 70 2HG LYS 70 4.627 12.838 13.181 570 2HG LYS 70 1HG LYS 70 6.247 12.158 13.040 571 1HD LYS 70 2HD LYS 70 5.876 12.615 15.370 572 2HD LYS 70 1HD LYS 70 6.999 13.838 14.777 573 1HE LYS 70 2HE LYS 70 5.330 15.524 14.742 574 2HE LYS 70 1HE LYS 70 4.014 14.336 14.823 575 1HZ LYS 70 1HZ LYS 70 6.053 14.809 16.935 576 2HZ LYS 70 2HZ LYS 70 4.813 13.649 17.001 577 3HZ LYS 70 3HZ LYS 70 4.432 15.305 17.004 578 H ASP 71 H ASP 71 5.601 14.517 9.482 579 HA ASP 71 HA ASP 71 6.828 16.950 8.713 580 1HB ASP 71 2HB ASP 71 5.631 14.560 7.453 581 2HB ASP 71 1HB ASP 71 5.693 15.966 6.403 582 H ILE 72 H ILE 72 3.494 15.889 7.977 583 HA ILE 72 HA ILE 72 2.584 18.345 6.853 584 HB ILE 72 HB ILE 72 1.293 15.958 8.194 585 1HG1 ILE 72 2HG1 ILE 72 2.348 15.652 5.992 586 2HG1 ILE 72 1HG1 ILE 72 0.600 15.455 5.887 587 1HG2 ILE 72 1HG2 ILE 72 -0.077 18.410 7.068 588 2HG2 ILE 72 2HG2 ILE 72 -0.361 17.616 8.618 589 3HG2 ILE 72 3HG2 ILE 72 -0.878 16.840 7.121 590 1HD1 ILE 72 1HD1 ILE 72 2.282 17.786 4.963 591 2HD1 ILE 72 2HD1 ILE 72 0.553 17.968 5.248 592 3HD1 ILE 72 3HD1 ILE 72 1.129 16.831 4.035 593 H ALA 73 H ALA 73 2.956 17.338 10.206 594 HA ALA 73 HA ALA 73 1.217 19.257 11.445 595 1HB ALA 73 1HB ALA 73 2.364 17.187 12.417 596 2HB ALA 73 2HB ALA 73 2.390 18.620 13.444 597 3HB ALA 73 3HB ALA 73 3.828 18.165 12.531 598 H ALA 74 H ALA 74 4.755 19.383 10.831 599 HA ALA 74 HA ALA 74 4.994 22.138 11.737 600 1HB ALA 74 1HB ALA 74 6.827 20.525 11.881 601 2HB ALA 74 2HB ALA 74 7.301 21.838 10.804 602 3HB ALA 74 3HB ALA 74 6.790 20.289 10.134 603 H TYR 75 H TYR 75 4.466 20.529 8.654 604 HA TYR 75 HA TYR 75 5.001 22.873 7.001 605 1HB TYR 75 2HB TYR 75 4.871 20.213 6.575 606 2HB TYR 75 1HB TYR 75 3.233 20.652 6.086 607 HD1 TYR 75 1HD TYR 75 2.829 22.090 4.159 608 HD2 TYR 75 2HD TYR 75 6.825 21.089 5.376 609 HE1 TYR 75 1HE TYR 75 3.700 22.946 2.001 610 HE2 TYR 75 2HE TYR 75 7.697 21.945 3.218 611 HH TYR 75 HH TYR 75 6.717 23.793 1.445 612 H ARG 76 H ARG 76 2.238 21.585 8.739 613 HA ARG 76 HA ARG 76 0.142 22.957 7.321 614 1HB ARG 76 2HB ARG 76 -0.183 21.063 8.866 615 2HB ARG 76 1HB ARG 76 0.378 22.053 10.212 616 1HG ARG 76 2HG ARG 76 -1.530 23.400 10.180 617 2HG ARG 76 1HG ARG 76 -1.916 22.990 8.510 618 1HD ARG 76 2HD ARG 76 -2.152 20.537 9.517 619 2HD ARG 76 1HD ARG 76 -2.467 21.438 11.013 620 HE ARG 76 HE ARG 76 -4.428 22.366 10.009 621 1HH1 ARG 76 1HH2 ARG 76 -4.546 19.589 8.761 622 2HH1 ARG 76 2HH2 ARG 76 -4.846 19.980 7.100 623 1HH2 ARG 76 1HH1 ARG 76 -3.933 23.307 7.443 624 2HH2 ARG 76 2HH1 ARG 76 -4.498 22.085 6.354 625 H ALA 77 H ALA 77 1.282 23.764 10.622 626 HA ALA 77 HA ALA 77 1.045 26.667 9.893 627 1HB ALA 77 1HB ALA 77 0.287 25.149 12.407 628 2HB ALA 77 2HB ALA 77 -0.808 25.962 11.289 629 3HB ALA 77 3HB ALA 77 0.289 26.909 12.294 630 H LYS 78 H LYS 78 3.229 27.199 9.690 631 HA LYS 78 HA LYS 78 5.050 26.446 11.953 632 1HB LYS 78 2HB LYS 78 5.466 25.633 9.562 633 2HB LYS 78 1HB LYS 78 5.789 27.317 9.148 634 1HG LYS 78 2HG LYS 78 7.600 27.419 10.772 635 2HG LYS 78 1HG LYS 78 7.231 25.789 11.334 636 1HD LYS 78 2HD LYS 78 7.619 25.052 8.895 637 2HD LYS 78 1HD LYS 78 8.367 26.632 8.668 638 1HE LYS 78 2HE LYS 78 9.868 26.108 10.646 639 2HE LYS 78 1HE LYS 78 9.234 24.451 10.592 640 1HZ LYS 78 1HZ LYS 78 10.490 25.899 8.319 641 2HZ LYS 78 2HZ LYS 78 9.861 24.322 8.260 642 3HZ LYS 78 3HZ LYS 78 11.220 24.662 9.219 Start of MODEL 17 1 1H MET 1 1HT MET 1 -13.717 14.512 -4.837 2 2H MET 1 2HT MET 1 -13.137 15.628 -5.979 3 3H MET 1 3HT MET 1 -13.629 16.158 -4.442 4 HA MET 1 HA MET 1 -11.787 15.129 -3.378 5 1HB MET 1 2HB MET 1 -10.304 13.657 -4.737 6 2HB MET 1 1HB MET 1 -11.962 13.063 -4.698 7 1HG MET 1 2HG MET 1 -12.403 14.010 -6.900 8 2HG MET 1 1HG MET 1 -10.807 14.760 -6.931 9 1HE MET 1 1HE MET 1 -8.668 13.635 -6.853 10 2HE MET 1 2HE MET 1 -8.324 11.932 -7.148 11 3HE MET 1 3HE MET 1 -8.964 12.436 -5.587 12 H LYS 2 H LYS 2 -9.923 16.383 -3.179 13 HA LYS 2 HA LYS 2 -8.748 17.787 -5.475 14 1HB LYS 2 2HB LYS 2 -10.928 18.965 -4.620 15 2HB LYS 2 1HB LYS 2 -9.910 19.487 -3.278 16 1HG LYS 2 2HG LYS 2 -8.487 20.730 -4.672 17 2HG LYS 2 1HG LYS 2 -8.985 19.854 -6.119 18 1HD LYS 2 2HD LYS 2 -11.303 20.849 -5.777 19 2HD LYS 2 1HD LYS 2 -10.578 21.900 -4.561 20 1HE LYS 2 2HE LYS 2 -9.263 23.042 -6.144 21 2HE LYS 2 1HE LYS 2 -9.383 21.725 -7.328 22 1HZ LYS 2 1HZ LYS 2 -11.762 22.134 -7.490 23 2HZ LYS 2 2HZ LYS 2 -10.891 23.535 -7.896 24 3HZ LYS 2 3HZ LYS 2 -11.641 23.410 -6.377 25 H LYS 3 H LYS 3 -6.965 19.325 -4.614 26 HA LYS 3 HA LYS 3 -5.967 18.785 -1.899 27 1HB LYS 3 2HB LYS 3 -5.444 16.854 -3.646 28 2HB LYS 3 1HB LYS 3 -4.170 17.964 -4.154 29 1HG LYS 3 2HG LYS 3 -3.110 16.681 -2.494 30 2HG LYS 3 1HG LYS 3 -3.616 18.123 -1.613 31 1HD LYS 3 2HD LYS 3 -4.306 16.311 -0.243 32 2HD LYS 3 1HD LYS 3 -5.774 16.826 -1.075 33 1HE LYS 3 2HE LYS 3 -5.519 15.026 -2.720 34 2HE LYS 3 1HE LYS 3 -3.986 14.534 -1.971 35 1HZ LYS 3 1HZ LYS 3 -6.626 14.642 -0.606 36 2HZ LYS 3 2HZ LYS 3 -5.155 14.199 0.120 37 3HZ LYS 3 3HZ LYS 3 -5.832 13.227 -1.100 38 H ASP 4 H ASP 4 -4.662 20.480 -1.254 39 HA ASP 4 HA ASP 4 -4.148 22.652 -3.202 40 1HB ASP 4 2HB ASP 4 -4.213 22.274 -0.227 41 2HB ASP 4 1HB ASP 4 -3.328 23.652 -0.882 42 HA PRO 5 HA PRO 5 0.170 21.838 -3.550 43 1HB PRO 5 2HB PRO 5 1.293 24.332 -3.494 44 2HB PRO 5 1HB PRO 5 0.370 23.720 -4.881 45 1HG PRO 5 2HG PRO 5 -0.474 25.580 -2.719 46 2HG PRO 5 1HG PRO 5 -0.863 25.604 -4.445 47 1HD PRO 5 2HD PRO 5 -2.573 24.698 -2.518 48 2HD PRO 5 1HD PRO 5 -2.601 24.138 -4.204 49 H ASN 6 H ASN 6 -0.867 23.870 -0.868 50 HA ASN 6 HA ASN 6 1.617 23.746 0.636 51 1HB ASN 6 2HB ASN 6 -1.255 24.501 1.148 52 2HB ASN 6 1HB ASN 6 -0.106 24.436 2.485 53 1HD2 ASN 6 1HD2 ASN 6 -1.133 26.308 -0.265 54 2HD2 ASN 6 2HD2 ASN 6 0.034 27.534 -0.124 55 H ALA 7 H ALA 7 -1.266 21.729 0.401 56 HA ALA 7 HA ALA 7 -0.571 20.113 2.765 57 1HB ALA 7 1HB ALA 7 -2.883 20.771 1.568 58 2HB ALA 7 2HB ALA 7 -2.700 19.270 2.475 59 3HB ALA 7 3HB ALA 7 -2.566 19.259 0.716 60 HA PRO 8 HA PRO 8 1.741 17.169 0.480 61 1HB PRO 8 2HB PRO 8 1.576 15.024 2.145 62 2HB PRO 8 1HB PRO 8 2.624 16.429 2.406 63 1HG PRO 8 2HG PRO 8 0.217 15.650 3.825 64 2HG PRO 8 1HG PRO 8 1.475 16.813 4.220 65 1HD PRO 8 2HD PRO 8 -1.142 17.353 3.195 66 2HD PRO 8 1HD PRO 8 0.115 18.499 3.702 67 H LYS 9 H LYS 9 1.586 14.818 -0.387 68 HA LYS 9 HA LYS 9 -1.026 14.479 -1.673 69 1HB LYS 9 2HB LYS 9 1.632 13.031 -1.753 70 2HB LYS 9 1HB LYS 9 0.257 12.566 -2.754 71 1HG LYS 9 2HG LYS 9 0.227 14.717 -3.843 72 2HG LYS 9 1HG LYS 9 1.423 15.361 -2.717 73 1HD LYS 9 2HD LYS 9 2.668 14.825 -4.664 74 2HD LYS 9 1HD LYS 9 2.971 13.484 -3.559 75 1HE LYS 9 2HE LYS 9 1.541 12.022 -4.743 76 2HE LYS 9 1HE LYS 9 0.709 13.360 -5.562 77 1HZ LYS 9 1HZ LYS 9 2.335 12.337 -7.034 78 2HZ LYS 9 2HZ LYS 9 3.570 12.623 -5.904 79 3HZ LYS 9 3HZ LYS 9 2.790 13.928 -6.663 80 H ARG 10 H ARG 10 -1.510 11.902 -1.900 81 HA ARG 10 HA ARG 10 -2.364 11.076 0.795 82 1HB ARG 10 2HB ARG 10 -3.684 9.435 -0.460 83 2HB ARG 10 1HB ARG 10 -3.836 11.018 -1.217 84 1HG ARG 10 2HG ARG 10 -1.700 10.077 -2.587 85 2HG ARG 10 1HG ARG 10 -2.509 8.555 -2.225 86 1HD ARG 10 2HD ARG 10 -3.477 9.243 -4.285 87 2HD ARG 10 1HD ARG 10 -4.667 9.757 -3.072 88 HE ARG 10 HE ARG 10 -3.297 11.991 -3.127 89 1HH1 ARG 10 1HH2 ARG 10 -1.671 10.857 -5.477 90 2HH1 ARG 10 2HH2 ARG 10 -2.462 11.624 -6.813 91 1HH2 ARG 10 1HH1 ARG 10 -5.251 12.551 -4.974 92 2HH2 ARG 10 2HH1 ARG 10 -4.488 12.584 -6.528 93 HA PRO 11 HA PRO 11 1.224 8.397 1.104 94 1HB PRO 11 2HB PRO 11 0.584 7.187 3.470 95 2HB PRO 11 1HB PRO 11 1.244 8.831 3.377 96 1HG PRO 11 2HG PRO 11 -1.561 7.940 3.784 97 2HG PRO 11 1HG PRO 11 -0.695 9.308 4.499 98 1HD PRO 11 2HD PRO 11 -2.475 9.540 2.434 99 2HD PRO 11 1HD PRO 11 -1.149 10.683 2.735 100 HA PRO 12 HA PRO 12 -0.450 4.613 -0.474 101 1HB PRO 12 2HB PRO 12 1.638 2.901 -0.033 102 2HB PRO 12 1HB PRO 12 1.655 4.134 -1.311 103 1HG PRO 12 2HG PRO 12 2.940 4.170 1.369 104 2HG PRO 12 1HG PRO 12 3.543 4.779 -0.180 105 1HD PRO 12 2HD PRO 12 2.489 6.373 1.771 106 2HD PRO 12 1HD PRO 12 2.459 6.779 0.041 107 H SER 13 H SER 13 -0.127 2.023 0.451 108 HA SER 13 HA SER 13 -0.362 1.821 3.349 109 1HB SER 13 2HB SER 13 -2.796 1.308 3.320 110 2HB SER 13 1HB SER 13 -2.466 2.954 2.785 111 HG SER 13 HG SER 13 -3.608 2.328 1.119 112 H ALA 14 H ALA 14 1.188 0.367 1.415 113 HA ALA 14 HA ALA 14 1.802 -1.857 1.036 114 1HB ALA 14 1HB ALA 14 -0.552 -3.132 2.230 115 2HB ALA 14 2HB ALA 14 0.198 -1.962 3.314 116 3HB ALA 14 3HB ALA 14 1.150 -3.297 2.665 117 H PHE 15 H PHE 15 -1.784 -2.122 1.025 118 HA PHE 15 HA PHE 15 -1.905 -3.582 -1.412 119 1HB PHE 15 2HB PHE 15 -3.704 -3.406 0.274 120 2HB PHE 15 1HB PHE 15 -3.916 -1.701 -0.124 121 HD1 PHE 15 1HD PHE 15 -3.469 -4.808 -2.195 122 HD2 PHE 15 2HD PHE 15 -5.888 -1.367 -1.319 123 HE1 PHE 15 1HE PHE 15 -5.007 -5.418 -4.042 124 HE2 PHE 15 2HE PHE 15 -7.427 -1.980 -3.164 125 HZ PHE 15 HZ PHE 15 -6.987 -4.005 -4.527 126 H PHE 16 H PHE 16 -1.564 -0.135 -0.837 127 HA PHE 16 HA PHE 16 -2.450 0.736 -3.458 128 1HB PHE 16 2HB PHE 16 -2.150 2.001 -1.179 129 2HB PHE 16 1HB PHE 16 -0.477 2.194 -1.704 130 HD1 PHE 16 1HD PHE 16 -0.039 3.227 -4.007 131 HD2 PHE 16 2HD PHE 16 -3.856 3.390 -2.045 132 HE1 PHE 16 1HE PHE 16 -0.715 5.106 -5.478 133 HE2 PHE 16 2HE PHE 16 -4.533 5.268 -3.515 134 HZ PHE 16 HZ PHE 16 -2.962 6.126 -5.232 135 H LEU 17 H LEU 17 0.610 -0.395 -2.137 136 HA LEU 17 HA LEU 17 2.289 0.506 -4.330 137 1HB LEU 17 2HB LEU 17 2.448 -1.608 -2.174 138 2HB LEU 17 1HB LEU 17 3.735 -1.425 -3.366 139 HG LEU 17 HG LEU 17 3.663 1.095 -2.707 140 1HD1 LEU 17 1HD1 LEU 17 1.691 1.164 -1.365 141 2HD1 LEU 17 2HD1 LEU 17 3.036 1.290 -0.230 142 3HD1 LEU 17 3HD1 LEU 17 2.192 -0.246 -0.429 143 1HD2 LEU 17 1HD2 LEU 17 4.674 -0.925 -0.688 144 2HD2 LEU 17 2HD2 LEU 17 5.306 0.696 -0.963 145 3HD2 LEU 17 3HD2 LEU 17 5.495 -0.546 -2.200 146 H PHE 18 H PHE 18 1.455 -2.820 -3.483 147 HA PHE 18 HA PHE 18 1.845 -4.263 -5.772 148 1HB PHE 18 2HB PHE 18 0.911 -5.209 -3.734 149 2HB PHE 18 1HB PHE 18 -0.582 -4.295 -3.944 150 HD1 PHE 18 1HD PHE 18 1.461 -7.098 -5.258 151 HD2 PHE 18 2HD PHE 18 -2.296 -5.026 -5.474 152 HE1 PHE 18 1HE PHE 18 0.510 -8.959 -6.595 153 HE2 PHE 18 2HE PHE 18 -3.246 -6.886 -6.811 154 HZ PHE 18 HZ PHE 18 -1.846 -8.854 -7.371 155 H CYS 19 H CYS 19 -1.325 -2.565 -5.244 156 HA CYS 19 HA CYS 19 -2.280 -2.979 -7.900 157 1HB CYS 19 2HB CYS 19 -3.627 -2.341 -5.907 158 2HB CYS 19 1HB CYS 19 -2.863 -0.753 -5.918 159 HG CYS 19 HG CYS 19 -4.875 -1.767 -8.076 160 H SER 20 H SER 20 -0.521 -0.232 -6.460 161 HA SER 20 HA SER 20 -0.582 1.554 -8.653 162 1HB SER 20 2HB SER 20 1.300 1.018 -6.378 163 2HB SER 20 1HB SER 20 1.740 2.208 -7.596 164 HG SER 20 HG SER 20 0.333 3.510 -6.753 165 H GLU 21 H GLU 21 1.446 -1.323 -8.176 166 HA GLU 21 HA GLU 21 3.094 -0.618 -10.532 167 1HB GLU 21 2HB GLU 21 4.365 -2.627 -9.868 168 2HB GLU 21 1HB GLU 21 4.125 -1.545 -8.500 169 1HG GLU 21 2HG GLU 21 2.567 -2.954 -7.487 170 2HG GLU 21 1HG GLU 21 2.152 -3.753 -9.000 171 H HIS 22 H HIS 22 0.376 -2.765 -9.733 172 HA HIS 22 HA HIS 22 0.651 -4.139 -12.363 173 1HB HIS 22 2HB HIS 22 -1.018 -4.548 -9.866 174 2HB HIS 22 1HB HIS 22 -1.232 -5.512 -11.324 175 HD1 HIS 22 1HD HIS 22 1.125 -6.695 -12.188 176 HD2 HIS 22 2HD HIS 22 0.893 -5.587 -8.176 177 HE1 HIS 22 1HE HIS 22 2.911 -8.017 -10.973 178 H ARG 23 H ARG 23 -0.483 -1.245 -11.637 179 HA ARG 23 HA ARG 23 -3.275 -1.423 -12.462 180 1HB ARG 23 2HB ARG 23 -2.391 0.233 -10.853 181 2HB ARG 23 1HB ARG 23 -1.407 0.942 -12.128 182 1HG ARG 23 2HG ARG 23 -3.274 2.320 -12.216 183 2HG ARG 23 1HG ARG 23 -3.718 1.094 -13.404 184 1HD ARG 23 2HD ARG 23 -5.637 1.303 -11.990 185 2HD ARG 23 1HD ARG 23 -4.814 -0.158 -11.409 186 HE ARG 23 HE ARG 23 -3.788 1.246 -9.625 187 1HH1 ARG 23 1HH2 ARG 23 -4.830 3.711 -11.375 188 2HH1 ARG 23 2HH2 ARG 23 -5.947 4.381 -10.233 189 1HH2 ARG 23 1HH1 ARG 23 -5.914 1.596 -8.167 190 2HH2 ARG 23 2HH1 ARG 23 -6.561 3.182 -8.417 191 HA PRO 24 HA PRO 24 -1.596 0.490 -16.503 192 1HB PRO 24 2HB PRO 24 1.064 0.259 -17.083 193 2HB PRO 24 1HB PRO 24 0.377 1.652 -16.224 194 1HG PRO 24 2HG PRO 24 1.871 -0.679 -15.157 195 2HG PRO 24 1HG PRO 24 1.897 1.013 -14.643 196 1HD PRO 24 2HD PRO 24 0.543 -0.981 -13.344 197 2HD PRO 24 1HD PRO 24 0.131 0.742 -13.244 198 H LYS 25 H LYS 25 -0.805 -2.551 -15.181 199 HA LYS 25 HA LYS 25 -0.154 -3.846 -17.756 200 1HB LYS 25 2HB LYS 25 0.822 -4.338 -15.420 201 2HB LYS 25 1HB LYS 25 -0.717 -5.128 -15.076 202 1HG LYS 25 2HG LYS 25 -0.383 -6.774 -16.732 203 2HG LYS 25 1HG LYS 25 0.860 -5.824 -17.549 204 1HD LYS 25 2HD LYS 25 1.262 -6.760 -14.714 205 2HD LYS 25 1HD LYS 25 1.618 -7.827 -16.072 206 1HE LYS 25 2HE LYS 25 3.227 -6.252 -16.978 207 2HE LYS 25 1HE LYS 25 2.776 -5.034 -15.767 208 1HZ LYS 25 1HZ LYS 25 3.863 -7.737 -15.169 209 2HZ LYS 25 2HZ LYS 25 3.429 -6.563 -14.020 210 3HZ LYS 25 3HZ LYS 25 4.738 -6.287 -15.068 211 H ILE 26 H ILE 26 -2.858 -3.558 -15.488 212 HA ILE 26 HA ILE 26 -4.509 -5.562 -16.842 213 HB ILE 26 HB ILE 26 -5.136 -3.410 -14.791 214 1HG1 ILE 26 2HG1 ILE 26 -3.399 -4.989 -14.028 215 2HG1 ILE 26 1HG1 ILE 26 -4.900 -5.249 -13.148 216 1HG2 ILE 26 1HG2 ILE 26 -7.253 -4.039 -15.447 217 2HG2 ILE 26 2HG2 ILE 26 -6.934 -5.332 -14.291 218 3HG2 ILE 26 3HG2 ILE 26 -6.721 -5.621 -16.018 219 1HD1 ILE 26 1HD1 ILE 26 -5.451 -7.086 -14.794 220 2HD1 ILE 26 2HD1 ILE 26 -4.046 -7.418 -13.782 221 3HD1 ILE 26 3HD1 ILE 26 -3.825 -6.898 -15.453 222 H LYS 27 H LYS 27 -3.974 -2.109 -17.103 223 HA LYS 27 HA LYS 27 -6.433 -1.490 -18.551 224 1HB LYS 27 2HB LYS 27 -3.759 -0.098 -18.193 225 2HB LYS 27 1HB LYS 27 -5.154 0.644 -18.978 226 1HG LYS 27 2HG LYS 27 -6.486 0.286 -16.914 227 2HG LYS 27 1HG LYS 27 -5.056 -0.386 -16.129 228 1HD LYS 27 2HD LYS 27 -5.087 1.888 -15.454 229 2HD LYS 27 1HD LYS 27 -3.892 1.827 -16.749 230 1HE LYS 27 2HE LYS 27 -5.397 2.786 -18.332 231 2HE LYS 27 1HE LYS 27 -6.798 2.506 -17.278 232 1HZ LYS 27 1HZ LYS 27 -6.004 4.805 -17.124 233 2HZ LYS 27 2HZ LYS 27 -4.479 4.248 -16.622 234 3HZ LYS 27 3HZ LYS 27 -5.845 3.993 -15.644 235 H SER 28 H SER 28 -3.282 -2.754 -19.427 236 HA SER 28 HA SER 28 -3.388 -2.024 -22.247 237 1HB SER 28 2HB SER 28 -1.826 -4.116 -20.696 238 2HB SER 28 1HB SER 28 -1.479 -3.629 -22.353 239 HG SER 28 HG SER 28 -0.825 -1.688 -21.658 240 H GLU 29 H GLU 29 -3.988 -5.032 -20.423 241 HA GLU 29 HA GLU 29 -5.005 -6.432 -22.809 242 1HB GLU 29 2HB GLU 29 -4.750 -7.093 -19.862 243 2HB GLU 29 1HB GLU 29 -5.363 -8.234 -21.059 244 1HG GLU 29 2HG GLU 29 -3.180 -7.710 -22.362 245 2HG GLU 29 1HG GLU 29 -2.598 -7.059 -20.829 246 H HIS 30 H HIS 30 -6.375 -4.073 -21.004 247 HA HIS 30 HA HIS 30 -9.115 -4.958 -21.622 248 1HB HIS 30 2HB HIS 30 -8.226 -4.312 -18.785 249 2HB HIS 30 1HB HIS 30 -9.881 -4.625 -19.290 250 HD1 HIS 30 1HD HIS 30 -10.578 -7.055 -19.708 251 HD2 HIS 30 2HD HIS 30 -6.542 -6.638 -18.782 252 HE1 HIS 30 1HE HIS 30 -9.709 -9.389 -19.243 253 HA PRO 31 HA PRO 31 -8.232 -0.450 -22.135 254 1HB PRO 31 2HB PRO 31 -9.719 -0.183 -24.428 255 2HB PRO 31 1HB PRO 31 -8.018 -0.690 -24.430 256 1HG PRO 31 2HG PRO 31 -10.486 -2.360 -24.617 257 2HG PRO 31 1HG PRO 31 -8.968 -2.491 -25.522 258 1HD PRO 31 2HD PRO 31 -9.532 -4.114 -23.439 259 2HD PRO 31 1HD PRO 31 -7.876 -3.574 -23.798 260 H GLY 32 H GLY 32 -9.531 0.903 -20.958 261 1HA GLY 32 2HA GLY 32 -11.616 2.049 -20.516 262 2HA GLY 32 1HA GLY 32 -12.483 0.682 -21.217 263 H LEU 33 H LEU 33 -10.631 -1.154 -19.598 264 HA LEU 33 HA LEU 33 -12.285 -1.911 -17.504 265 1HB LEU 33 2HB LEU 33 -10.080 -2.850 -18.542 266 2HB LEU 33 1HB LEU 33 -9.283 -1.958 -17.258 267 HG LEU 33 HG LEU 33 -9.704 -4.319 -16.636 268 1HD1 LEU 33 1HD1 LEU 33 -10.322 -3.834 -14.459 269 2HD1 LEU 33 2HD1 LEU 33 -11.564 -2.683 -14.952 270 3HD1 LEU 33 3HD1 LEU 33 -9.859 -2.237 -15.043 271 1HD2 LEU 33 1HD2 LEU 33 -12.645 -3.703 -16.501 272 2HD2 LEU 33 2HD2 LEU 33 -11.840 -5.271 -16.545 273 3HD2 LEU 33 3HD2 LEU 33 -11.943 -4.291 -18.008 274 H SER 34 H SER 34 -13.129 -0.393 -16.109 275 HA SER 34 HA SER 34 -11.878 1.908 -15.024 276 1HB SER 34 2HB SER 34 -13.643 1.457 -13.163 277 2HB SER 34 1HB SER 34 -14.221 1.681 -14.811 278 HG SER 34 HG SER 34 -14.947 -0.243 -13.491 279 H ILE 35 H ILE 35 -11.720 1.943 -12.373 280 HA ILE 35 HA ILE 35 -9.455 0.131 -11.753 281 HB ILE 35 HB ILE 35 -10.682 2.495 -10.287 282 1HG1 ILE 35 2HG1 ILE 35 -8.151 2.406 -11.953 283 2HG1 ILE 35 1HG1 ILE 35 -9.706 2.931 -12.599 284 1HG2 ILE 35 1HG2 ILE 35 -9.427 1.374 -8.658 285 2HG2 ILE 35 2HG2 ILE 35 -8.237 2.483 -9.339 286 3HG2 ILE 35 3HG2 ILE 35 -8.246 0.790 -9.831 287 1HD1 ILE 35 1HD1 ILE 35 -9.832 4.752 -11.034 288 2HD1 ILE 35 2HD1 ILE 35 -8.221 4.804 -11.750 289 3HD1 ILE 35 3HD1 ILE 35 -8.445 4.146 -10.129 290 H GLY 36 H GLY 36 -12.559 -0.529 -11.653 291 1HA GLY 36 2HA GLY 36 -12.705 -1.395 -8.810 292 2HA GLY 36 1HA GLY 36 -14.066 -1.345 -9.933 293 H ASP 37 H ASP 37 -13.146 -2.712 -12.106 294 HA ASP 37 HA ASP 37 -13.380 -5.460 -11.322 295 1HB ASP 37 2HB ASP 37 -12.391 -4.139 -13.866 296 2HB ASP 37 1HB ASP 37 -12.832 -5.840 -13.734 297 H THR 38 H THR 38 -10.521 -3.632 -12.532 298 HA THR 38 HA THR 38 -8.674 -5.807 -12.233 299 HB THR 38 HB THR 38 -8.283 -3.808 -13.624 300 HG1 THR 38 1HG THR 38 -6.149 -3.458 -12.947 301 1HG2 THR 38 1HG2 THR 38 -8.150 -2.365 -10.967 302 2HG2 THR 38 2HG2 THR 38 -9.312 -2.087 -12.264 303 3HG2 THR 38 3HG2 THR 38 -7.614 -1.677 -12.499 304 H ALA 39 H ALA 39 -9.845 -3.327 -10.017 305 HA ALA 39 HA ALA 39 -7.949 -3.744 -7.890 306 1HB ALA 39 1HB ALA 39 -10.795 -2.730 -8.083 307 2HB ALA 39 2HB ALA 39 -9.319 -1.787 -7.878 308 3HB ALA 39 3HB ALA 39 -9.929 -2.771 -6.547 309 H LYS 40 H LYS 40 -10.841 -5.435 -8.941 310 HA LYS 40 HA LYS 40 -11.131 -7.059 -6.522 311 1HB LYS 40 2HB LYS 40 -12.306 -6.935 -9.293 312 2HB LYS 40 1HB LYS 40 -12.631 -8.336 -8.272 313 1HG LYS 40 2HG LYS 40 -13.603 -6.956 -6.553 314 2HG LYS 40 1HG LYS 40 -13.081 -5.481 -7.369 315 1HD LYS 40 2HD LYS 40 -15.333 -5.640 -8.005 316 2HD LYS 40 1HD LYS 40 -14.499 -6.383 -9.370 317 1HE LYS 40 2HE LYS 40 -14.975 -8.609 -8.548 318 2HE LYS 40 1HE LYS 40 -15.614 -7.958 -7.024 319 1HZ LYS 40 1HZ LYS 40 -16.688 -7.311 -9.719 320 2HZ LYS 40 2HZ LYS 40 -17.322 -6.800 -8.228 321 3HZ LYS 40 3HZ LYS 40 -17.379 -8.442 -8.660 322 H LYS 41 H LYS 41 -9.507 -7.316 -9.649 323 HA LYS 41 HA LYS 41 -8.783 -10.150 -9.250 324 1HB LYS 41 2HB LYS 41 -9.337 -8.889 -11.442 325 2HB LYS 41 1HB LYS 41 -7.716 -8.204 -11.304 326 1HG LYS 41 2HG LYS 41 -6.844 -10.578 -11.104 327 2HG LYS 41 1HG LYS 41 -8.463 -11.128 -11.539 328 1HD LYS 41 2HD LYS 41 -8.239 -9.554 -13.579 329 2HD LYS 41 1HD LYS 41 -6.515 -9.540 -13.205 330 1HE LYS 41 2HE LYS 41 -8.029 -12.145 -13.473 331 2HE LYS 41 1HE LYS 41 -7.311 -11.338 -14.881 332 1HZ LYS 41 1HZ LYS 41 -5.880 -12.041 -12.371 333 2HZ LYS 41 2HZ LYS 41 -5.199 -11.242 -13.708 334 3HZ LYS 41 3HZ LYS 41 -5.723 -12.852 -13.853 335 H LEU 42 H LEU 42 -7.469 -6.998 -8.579 336 HA LEU 42 HA LEU 42 -4.671 -7.859 -8.343 337 1HB LEU 42 2HB LEU 42 -6.317 -5.418 -8.157 338 2HB LEU 42 1HB LEU 42 -4.966 -5.449 -7.026 339 HG LEU 42 HG LEU 42 -3.448 -6.017 -8.933 340 1HD1 LEU 42 1HD1 LEU 42 -4.215 -5.945 -11.180 341 2HD1 LEU 42 2HD1 LEU 42 -5.759 -5.233 -10.714 342 3HD1 LEU 42 3HD1 LEU 42 -5.415 -6.919 -10.332 343 1HD2 LEU 42 1HD2 LEU 42 -4.152 -3.636 -8.078 344 2HD2 LEU 42 2HD2 LEU 42 -4.945 -3.516 -9.649 345 3HD2 LEU 42 3HD2 LEU 42 -3.203 -3.785 -9.556 346 H GLY 43 H GLY 43 -7.081 -6.587 -6.013 347 1HA GLY 43 2HA GLY 43 -5.743 -7.217 -3.623 348 2HA GLY 43 1HA GLY 43 -7.502 -7.167 -3.768 349 H GLU 44 H GLU 44 -7.411 -9.342 -5.847 350 HA GLU 44 HA GLU 44 -7.676 -11.624 -4.077 351 1HB GLU 44 2HB GLU 44 -8.906 -11.219 -6.239 352 2HB GLU 44 1HB GLU 44 -7.390 -11.485 -7.101 353 1HG GLU 44 2HG GLU 44 -8.393 -13.607 -7.163 354 2HG GLU 44 1HG GLU 44 -7.309 -13.731 -5.777 355 H MET 45 H MET 45 -5.216 -10.466 -6.371 356 HA MET 45 HA MET 45 -3.431 -12.744 -5.948 357 1HB MET 45 2HB MET 45 -3.476 -10.149 -7.441 358 2HB MET 45 1HB MET 45 -1.908 -10.908 -7.161 359 1HG MET 45 2HG MET 45 -2.934 -13.057 -8.078 360 2HG MET 45 1HG MET 45 -4.298 -12.071 -8.607 361 1HE MET 45 1HE MET 45 -4.331 -11.463 -11.129 362 2HE MET 45 2HE MET 45 -3.853 -13.127 -10.803 363 3HE MET 45 3HE MET 45 -3.012 -12.203 -12.045 364 H TRP 46 H TRP 46 -3.570 -9.328 -4.883 365 HA TRP 46 HA TRP 46 -1.140 -9.115 -3.450 366 1HB TRP 46 2HB TRP 46 -2.640 -7.256 -3.848 367 2HB TRP 46 1HB TRP 46 -3.926 -8.012 -2.920 368 HD1 TRP 46 HD TRP 46 -4.135 -6.984 -0.599 369 HE1 TRP 46 1HE TRP 46 -2.514 -5.953 1.122 370 HE3 TRP 46 3HE TRP 46 0.253 -7.473 -3.139 371 HZ2 TRP 46 2HZ TRP 46 0.287 -5.410 1.378 372 HZ3 TRP 46 3HZ TRP 46 2.383 -6.694 -2.142 373 HH2 TRP 46 HH TRP 46 2.401 -5.671 0.107 374 H SER 47 H SER 47 -4.300 -10.343 -2.264 375 HA SER 47 HA SER 47 -3.391 -11.027 0.376 376 1HB SER 47 2HB SER 47 -5.760 -10.725 -0.472 377 2HB SER 47 1HB SER 47 -5.608 -12.290 -1.266 378 HG SER 47 HG SER 47 -6.540 -12.475 0.813 379 H GLU 48 H GLU 48 -2.659 -12.451 -2.661 380 HA GLU 48 HA GLU 48 -2.106 -15.115 -1.473 381 1HB GLU 48 2HB GLU 48 -2.524 -13.964 -4.228 382 2HB GLU 48 1HB GLU 48 -1.739 -15.529 -4.028 383 1HG GLU 48 2HG GLU 48 -3.729 -16.207 -2.587 384 2HG GLU 48 1HG GLU 48 -4.523 -14.737 -3.154 385 H GLN 49 H GLN 49 -0.552 -12.155 -2.414 386 HA GLN 49 HA GLN 49 1.969 -13.092 -3.339 387 1HB GLN 49 2HB GLN 49 1.181 -10.670 -1.680 388 2HB GLN 49 1HB GLN 49 2.730 -10.845 -2.499 389 1HG GLN 49 2HG GLN 49 0.019 -10.832 -3.847 390 2HG GLN 49 1HG GLN 49 1.166 -9.499 -3.846 391 1HE2 GLN 49 1HE2 GLN 49 0.135 -11.180 -6.159 392 2HE2 GLN 49 2HE2 GLN 49 1.530 -11.787 -6.909 393 H SER 50 H SER 50 3.796 -13.782 -2.225 394 HA SER 50 HA SER 50 3.413 -14.570 0.604 395 1HB SER 50 2HB SER 50 5.407 -15.951 0.133 396 2HB SER 50 1HB SER 50 4.211 -16.159 -1.145 397 HG SER 50 HG SER 50 6.613 -15.610 -1.588 398 H ALA 51 H ALA 51 6.722 -14.188 0.175 399 HA ALA 51 HA ALA 51 6.644 -11.544 1.557 400 1HB ALA 51 1HB ALA 51 7.691 -13.201 2.882 401 2HB ALA 51 2HB ALA 51 9.047 -12.355 2.136 402 3HB ALA 51 3HB ALA 51 8.518 -13.911 1.496 403 H LYS 52 H LYS 52 7.249 -12.805 -1.527 404 HA LYS 52 HA LYS 52 9.577 -11.170 -2.219 405 1HB LYS 52 2HB LYS 52 8.782 -13.409 -3.218 406 2HB LYS 52 1HB LYS 52 7.558 -12.464 -4.068 407 1HG LYS 52 2HG LYS 52 9.339 -11.074 -5.077 408 2HG LYS 52 1HG LYS 52 10.557 -12.041 -4.245 409 1HD LYS 52 2HD LYS 52 10.089 -13.961 -5.527 410 2HD LYS 52 1HD LYS 52 8.513 -13.350 -6.031 411 1HE LYS 52 2HE LYS 52 9.625 -11.593 -7.383 412 2HE LYS 52 1HE LYS 52 11.207 -12.235 -6.896 413 1HZ LYS 52 1HZ LYS 52 9.063 -13.763 -8.279 414 2HZ LYS 52 2HZ LYS 52 10.560 -14.394 -7.781 415 3HZ LYS 52 3HZ LYS 52 10.496 -13.208 -8.996 416 H ASP 53 H ASP 53 6.057 -11.022 -2.741 417 HA ASP 53 HA ASP 53 6.364 -8.153 -3.574 418 1HB ASP 53 2HB ASP 53 4.966 -10.490 -4.710 419 2HB ASP 53 1HB ASP 53 3.972 -9.038 -4.613 420 H LYS 54 H LYS 54 6.163 -8.468 -0.944 421 HA LYS 54 HA LYS 54 3.603 -7.302 -0.236 422 1HB LYS 54 2HB LYS 54 3.606 -10.012 -0.502 423 2HB LYS 54 1HB LYS 54 4.023 -9.849 1.198 424 1HG LYS 54 2HG LYS 54 2.037 -8.154 1.280 425 2HG LYS 54 1HG LYS 54 1.556 -8.888 -0.245 426 1HD LYS 54 2HD LYS 54 0.376 -10.085 1.434 427 2HD LYS 54 1HD LYS 54 1.703 -11.135 0.942 428 1HE LYS 54 2HE LYS 54 1.868 -11.229 3.288 429 2HE LYS 54 1HE LYS 54 2.997 -9.912 2.910 430 1HZ LYS 54 1HZ LYS 54 1.202 -8.326 3.188 431 2HZ LYS 54 2HZ LYS 54 1.391 -9.242 4.608 432 3HZ LYS 54 3HZ LYS 54 0.110 -9.576 3.541 433 H GLN 55 H GLN 55 6.623 -8.828 0.855 434 HA GLN 55 HA GLN 55 6.524 -7.789 3.562 435 1HB GLN 55 2HB GLN 55 8.420 -9.183 1.746 436 2HB GLN 55 1HB GLN 55 9.147 -8.285 3.077 437 1HG GLN 55 2HG GLN 55 6.915 -10.312 3.403 438 2HG GLN 55 1HG GLN 55 8.623 -10.664 3.666 439 1HE2 GLN 55 1HE2 GLN 55 5.783 -9.295 5.112 440 2HE2 GLN 55 2HE2 GLN 55 6.517 -8.749 6.542 441 HA PRO 56 HA PRO 56 9.463 -4.409 1.895 442 1HB PRO 56 2HB PRO 56 9.817 -4.163 -0.806 443 2HB PRO 56 1HB PRO 56 10.846 -5.186 0.215 444 1HG PRO 56 2HG PRO 56 8.591 -5.949 -1.567 445 2HG PRO 56 1HG PRO 56 10.121 -6.784 -1.259 446 1HD PRO 56 2HD PRO 56 7.744 -7.513 -0.148 447 2HD PRO 56 1HD PRO 56 9.321 -7.835 0.602 448 H TYR 57 H TYR 57 6.382 -5.190 0.659 449 HA TYR 57 HA TYR 57 5.803 -2.549 -0.508 450 1HB TYR 57 2HB TYR 57 4.318 -5.131 0.001 451 2HB TYR 57 1HB TYR 57 3.474 -3.693 -0.575 452 HD1 TYR 57 1HD TYR 57 3.293 -3.383 -2.874 453 HD2 TYR 57 2HD TYR 57 6.577 -5.677 -1.326 454 HE1 TYR 57 1HE TYR 57 4.049 -3.859 -5.185 455 HE2 TYR 57 2HE TYR 57 7.332 -6.155 -3.639 456 HH TYR 57 HH TYR 57 5.483 -5.832 -6.278 457 H GLU 58 H GLU 58 5.154 -4.374 2.460 458 HA GLU 58 HA GLU 58 3.392 -2.293 3.563 459 1HB GLU 58 2HB GLU 58 3.386 -3.830 5.523 460 2HB GLU 58 1HB GLU 58 3.019 -4.672 4.020 461 1HG GLU 58 2HG GLU 58 4.878 -5.958 4.156 462 2HG GLU 58 1HG GLU 58 5.894 -4.586 4.595 463 H GLN 59 H GLN 59 6.818 -2.997 3.579 464 HA GLN 59 HA GLN 59 7.324 -1.321 5.972 465 1HB GLN 59 2HB GLN 59 9.146 -2.749 4.012 466 2HB GLN 59 1HB GLN 59 9.664 -2.002 5.520 467 1HG GLN 59 2HG GLN 59 8.101 -3.523 6.753 468 2HG GLN 59 1HG GLN 59 7.752 -4.336 5.228 469 1HE2 GLN 59 1HE2 GLN 59 9.430 -5.676 4.283 470 2HE2 GLN 59 2HE2 GLN 59 10.824 -6.106 5.151 471 H LYS 60 H LYS 60 6.902 -0.889 2.608 472 HA LYS 60 HA LYS 60 8.699 1.459 2.396 473 1HB LYS 60 2HB LYS 60 8.371 -0.299 0.593 474 2HB LYS 60 1HB LYS 60 6.714 0.282 0.423 475 1HG LYS 60 2HG LYS 60 7.553 2.539 -0.110 476 2HG LYS 60 1HG LYS 60 9.211 1.962 0.057 477 1HD LYS 60 2HD LYS 60 8.620 0.217 -1.726 478 2HD LYS 60 1HD LYS 60 7.169 1.173 -2.025 479 1HE LYS 60 2HE LYS 60 8.771 3.193 -2.270 480 2HE LYS 60 1HE LYS 60 10.055 1.977 -2.425 481 1HZ LYS 60 1HZ LYS 60 7.548 2.047 -4.021 482 2HZ LYS 60 2HZ LYS 60 8.787 0.893 -4.165 483 3HZ LYS 60 3HZ LYS 60 9.078 2.514 -4.586 484 H ALA 61 H ALA 61 5.310 0.581 2.731 485 HA ALA 61 HA ALA 61 4.394 3.383 2.447 486 1HB ALA 61 1HB ALA 61 2.601 1.162 3.298 487 2HB ALA 61 2HB ALA 61 3.361 0.981 1.716 488 3HB ALA 61 3HB ALA 61 2.350 2.386 2.053 489 H ALA 62 H ALA 62 5.027 0.932 4.889 490 HA ALA 62 HA ALA 62 3.569 2.062 7.082 491 1HB ALA 62 1HB ALA 62 6.047 0.342 6.808 492 2HB ALA 62 2HB ALA 62 4.415 -0.169 7.234 493 3HB ALA 62 3HB ALA 62 5.376 0.759 8.385 494 H LYS 63 H LYS 63 6.998 2.552 6.023 495 HA LYS 63 HA LYS 63 7.477 4.556 8.094 496 1HB LYS 63 2HB LYS 63 9.114 2.954 6.902 497 2HB LYS 63 1HB LYS 63 9.037 4.080 5.547 498 1HG LYS 63 2HG LYS 63 10.058 5.805 6.745 499 2HG LYS 63 1HG LYS 63 9.597 5.125 8.306 500 1HD LYS 63 2HD LYS 63 11.970 4.761 8.015 501 2HD LYS 63 1HD LYS 63 11.159 3.203 7.846 502 1HE LYS 63 2HE LYS 63 11.125 3.684 5.310 503 2HE LYS 63 1HE LYS 63 12.317 4.950 5.665 504 1HZ LYS 63 1HZ LYS 63 13.656 3.311 6.838 505 2HZ LYS 63 2HZ LYS 63 13.412 2.834 5.226 506 3HZ LYS 63 3HZ LYS 63 12.529 2.098 6.476 507 H LEU 64 H LEU 64 5.816 4.597 5.110 508 HA LEU 64 HA LEU 64 6.447 7.411 4.455 509 1HB LEU 64 2HB LEU 64 5.236 5.031 3.213 510 2HB LEU 64 1HB LEU 64 4.375 6.524 2.841 511 HG LEU 64 HG LEU 64 6.153 6.046 1.180 512 1HD1 LEU 64 1HD1 LEU 64 5.480 8.413 1.987 513 2HD1 LEU 64 2HD1 LEU 64 6.978 8.254 1.072 514 3HD1 LEU 64 3HD1 LEU 64 7.031 8.416 2.827 515 1HD2 LEU 64 1HD2 LEU 64 8.324 5.595 1.737 516 2HD2 LEU 64 2HD2 LEU 64 7.617 5.124 3.283 517 3HD2 LEU 64 3HD2 LEU 64 8.319 6.730 3.086 518 H LYS 65 H LYS 65 3.957 5.446 5.969 519 HA LYS 65 HA LYS 65 1.839 7.412 5.986 520 1HB LYS 65 2HB LYS 65 1.440 5.028 6.316 521 2HB LYS 65 1HB LYS 65 2.515 4.993 7.714 522 1HG LYS 65 2HG LYS 65 0.999 6.314 9.020 523 2HG LYS 65 1HG LYS 65 0.034 6.730 7.602 524 1HD LYS 65 2HD LYS 65 -0.637 4.378 7.350 525 2HD LYS 65 1HD LYS 65 0.349 3.939 8.745 526 1HE LYS 65 2HE LYS 65 -1.771 6.069 9.012 527 2HE LYS 65 1HE LYS 65 -2.197 4.351 9.140 528 1HZ LYS 65 1HZ LYS 65 -1.554 5.262 11.299 529 2HZ LYS 65 2HZ LYS 65 -0.040 5.710 10.671 530 3HZ LYS 65 3HZ LYS 65 -0.462 4.069 10.790 531 H GLU 66 H GLU 66 4.309 6.439 8.374 532 HA GLU 66 HA GLU 66 3.662 8.274 10.450 533 1HB GLU 66 2HB GLU 66 6.190 6.919 9.498 534 2HB GLU 66 1HB GLU 66 6.198 7.964 10.920 535 1HG GLU 66 2HG GLU 66 4.234 6.552 11.775 536 2HG GLU 66 1HG GLU 66 4.645 5.406 10.498 537 H LYS 67 H LYS 67 5.687 8.664 7.554 538 HA LYS 67 HA LYS 67 6.770 11.251 8.159 539 1HB LYS 67 2HB LYS 67 6.274 9.566 5.724 540 2HB LYS 67 1HB LYS 67 6.779 11.241 5.502 541 1HG LYS 67 2HG LYS 67 8.589 10.587 7.329 542 2HG LYS 67 1HG LYS 67 8.277 8.958 6.727 543 1HD LYS 67 2HD LYS 67 8.748 9.713 4.426 544 2HD LYS 67 1HD LYS 67 9.066 11.341 5.026 545 1HE LYS 67 2HE LYS 67 10.820 10.203 6.576 546 2HE LYS 67 1HE LYS 67 10.689 8.834 5.454 547 1HZ LYS 67 1HZ LYS 67 11.193 11.652 4.654 548 2HZ LYS 67 2HZ LYS 67 11.118 10.311 3.613 549 3HZ LYS 67 3HZ LYS 67 12.382 10.446 4.741 550 H TYR 68 H TYR 68 3.660 10.201 6.905 551 HA TYR 68 HA TYR 68 2.750 12.723 5.834 552 1HB TYR 68 2HB TYR 68 1.876 10.288 5.585 553 2HB TYR 68 1HB TYR 68 1.030 10.584 7.099 554 HD1 TYR 68 1HD TYR 68 1.709 12.667 4.042 555 HD2 TYR 68 2HD TYR 68 -1.219 11.032 6.727 556 HE1 TYR 68 1HE TYR 68 -0.087 13.842 2.803 557 HE2 TYR 68 2HE TYR 68 -3.014 12.207 5.486 558 HH TYR 68 HH TYR 68 -3.125 13.106 2.832 559 H GLU 69 H GLU 69 2.703 11.241 9.028 560 HA GLU 69 HA GLU 69 0.899 12.965 10.386 561 1HB GLU 69 2HB GLU 69 3.431 11.583 11.340 562 2HB GLU 69 1HB GLU 69 2.152 12.189 12.393 563 1HG GLU 69 2HG GLU 69 0.601 10.708 10.853 564 2HG GLU 69 1HG GLU 69 2.106 9.854 10.512 565 H LYS 70 H LYS 70 4.400 13.323 9.768 566 HA LYS 70 HA LYS 70 4.567 15.880 11.200 567 1HB LYS 70 2HB LYS 70 6.379 14.197 9.451 568 2HB LYS 70 1HB LYS 70 6.881 15.781 10.042 569 1HG LYS 70 2HG LYS 70 7.691 14.386 11.726 570 2HG LYS 70 1HG LYS 70 6.114 14.836 12.375 571 1HD LYS 70 2HD LYS 70 5.145 12.766 11.788 572 2HD LYS 70 1HD LYS 70 6.439 12.385 10.650 573 1HE LYS 70 2HE LYS 70 7.027 11.049 12.490 574 2HE LYS 70 1HE LYS 70 7.958 12.523 12.825 575 1HZ LYS 70 1HZ LYS 70 6.641 11.888 14.753 576 2HZ LYS 70 2HZ LYS 70 5.219 11.934 13.823 577 3HZ LYS 70 3HZ LYS 70 6.092 13.362 14.119 578 H ASP 71 H ASP 71 4.289 14.711 7.885 579 HA ASP 71 HA ASP 71 4.672 17.212 6.512 580 1HB ASP 71 2HB ASP 71 3.654 14.482 6.010 581 2HB ASP 71 1HB ASP 71 2.959 15.712 4.959 582 H ILE 72 H ILE 72 1.700 15.458 7.443 583 HA ILE 72 HA ILE 72 -0.124 17.576 6.741 584 HB ILE 72 HB ILE 72 -0.219 15.142 8.554 585 1HG1 ILE 72 2HG1 ILE 72 -0.066 14.772 6.113 586 2HG1 ILE 72 1HG1 ILE 72 -1.617 14.230 6.751 587 1HG2 ILE 72 1HG2 ILE 72 -2.395 17.164 7.969 588 2HG2 ILE 72 2HG2 ILE 72 -1.881 16.541 9.535 589 3HG2 ILE 72 3HG2 ILE 72 -2.769 15.501 8.421 590 1HD1 ILE 72 1HD1 ILE 72 -2.557 16.500 6.074 591 2HD1 ILE 72 2HD1 ILE 72 -2.099 15.448 4.737 592 3HD1 ILE 72 3HD1 ILE 72 -1.047 16.774 5.212 593 H ALA 73 H ALA 73 1.701 16.804 9.669 594 HA ALA 73 HA ALA 73 0.436 18.492 11.558 595 1HB ALA 73 1HB ALA 73 3.199 17.424 11.090 596 2HB ALA 73 2HB ALA 73 2.084 17.089 12.415 597 3HB ALA 73 3HB ALA 73 2.967 18.615 12.369 598 H ALA 74 H ALA 74 3.030 19.283 9.225 599 HA ALA 74 HA ALA 74 3.266 22.062 10.012 600 1HB ALA 74 1HB ALA 74 3.983 20.644 7.424 601 2HB ALA 74 2HB ALA 74 5.008 20.703 8.858 602 3HB ALA 74 3HB ALA 74 4.639 22.186 7.977 603 H TYR 75 H TYR 75 0.959 20.336 8.102 604 HA TYR 75 HA TYR 75 0.025 22.843 6.771 605 1HB TYR 75 2HB TYR 75 0.539 20.813 5.407 606 2HB TYR 75 1HB TYR 75 -0.696 19.929 6.307 607 HD1 TYR 75 1HD TYR 75 -2.780 19.772 5.286 608 HD2 TYR 75 2HD TYR 75 -0.360 23.247 4.569 609 HE1 TYR 75 1HE TYR 75 -4.526 20.676 3.773 610 HE2 TYR 75 2HE TYR 75 -2.105 24.151 3.057 611 HH TYR 75 HH TYR 75 -5.213 23.057 2.978 612 H ARG 76 H ARG 76 -0.599 20.833 9.448 613 HA ARG 76 HA ARG 76 -3.443 20.755 9.620 614 1HB ARG 76 2HB ARG 76 -1.770 19.596 11.093 615 2HB ARG 76 1HB ARG 76 -1.413 21.150 11.847 616 1HG ARG 76 2HG ARG 76 -3.581 21.327 12.780 617 2HG ARG 76 1HG ARG 76 -4.232 20.081 11.714 618 1HD ARG 76 2HD ARG 76 -3.363 18.346 12.983 619 2HD ARG 76 1HD ARG 76 -1.994 19.320 13.561 620 HE ARG 76 HE ARG 76 -4.788 19.908 14.460 621 1HH1 ARG 76 1HH1 ARG 76 -1.760 20.981 15.015 622 2HH1 ARG 76 2HH1 ARG 76 -1.689 20.591 16.702 623 1HH2 ARG 76 1HH2 ARG 76 -4.577 18.672 16.649 624 2HH2 ARG 76 2HH2 ARG 76 -3.285 19.284 17.626 625 H ALA 77 H ALA 77 -1.262 23.080 11.250 626 HA ALA 77 HA ALA 77 -3.478 25.076 11.335 627 1HB ALA 77 1HB ALA 77 -2.232 24.424 13.404 628 2HB ALA 77 2HB ALA 77 -2.039 26.137 13.028 629 3HB ALA 77 3HB ALA 77 -0.741 25.002 12.658 630 H LYS 78 H LYS 78 -3.032 25.225 8.872 631 HA LYS 78 HA LYS 78 -2.162 26.425 7.036 632 1HB LYS 78 2HB LYS 78 -2.837 28.271 8.558 633 2HB LYS 78 1HB LYS 78 -1.235 28.228 9.295 634 1HG LYS 78 2HG LYS 78 -0.644 28.403 6.596 635 2HG LYS 78 1HG LYS 78 -2.086 29.408 6.739 636 1HD LYS 78 2HD LYS 78 -0.368 30.932 7.210 637 2HD LYS 78 1HD LYS 78 -0.867 30.418 8.822 638 1HE LYS 78 2HE LYS 78 1.011 28.990 9.078 639 2HE LYS 78 1HE LYS 78 1.357 29.000 7.338 640 1HZ LYS 78 1HZ LYS 78 1.794 31.371 7.466 641 2HZ LYS 78 2HZ LYS 78 2.814 30.532 8.534 642 3HZ LYS 78 3HZ LYS 78 1.463 31.371 9.130 Start of MODEL 18 1 1H MET 1 1HT MET 1 -9.582 18.214 -2.145 2 2H MET 1 2HT MET 1 -8.352 18.723 -3.203 3 3H MET 1 3HT MET 1 -8.060 17.466 -2.097 4 HA MET 1 HA MET 1 -9.685 16.059 -3.244 5 1HB MET 1 2HB MET 1 -9.985 18.688 -4.656 6 2HB MET 1 1HB MET 1 -10.310 17.208 -5.558 7 1HG MET 1 2HG MET 1 -11.957 16.509 -3.902 8 2HG MET 1 1HG MET 1 -11.575 17.903 -2.892 9 1HE MET 1 1HE MET 1 -12.326 16.688 -6.267 10 2HE MET 1 2HE MET 1 -13.413 17.834 -7.047 11 3HE MET 1 3HE MET 1 -14.040 16.723 -5.832 12 H LYS 2 H LYS 2 -7.874 18.261 -5.411 13 HA LYS 2 HA LYS 2 -6.654 16.200 -6.959 14 1HB LYS 2 2HB LYS 2 -5.184 18.060 -7.709 15 2HB LYS 2 1HB LYS 2 -6.872 18.560 -7.637 16 1HG LYS 2 2HG LYS 2 -6.155 19.234 -5.140 17 2HG LYS 2 1HG LYS 2 -4.577 19.374 -5.913 18 1HD LYS 2 2HD LYS 2 -5.632 20.826 -7.669 19 2HD LYS 2 1HD LYS 2 -7.129 20.786 -6.736 20 1HE LYS 2 2HE LYS 2 -6.257 22.099 -5.021 21 2HE LYS 2 1HE LYS 2 -4.588 21.590 -5.346 22 1HZ LYS 2 1HZ LYS 2 -5.077 23.859 -6.160 23 2HZ LYS 2 2HZ LYS 2 -6.243 23.207 -7.210 24 3HZ LYS 2 3HZ LYS 2 -4.604 22.801 -7.398 25 H LYS 3 H LYS 3 -4.201 15.861 -7.031 26 HA LYS 3 HA LYS 3 -2.942 15.931 -4.317 27 1HB LYS 3 2HB LYS 3 -4.121 13.748 -4.833 28 2HB LYS 3 1HB LYS 3 -3.000 13.535 -6.178 29 1HG LYS 3 2HG LYS 3 -1.771 14.178 -3.552 30 2HG LYS 3 1HG LYS 3 -2.510 12.583 -3.691 31 1HD LYS 3 2HD LYS 3 -1.185 12.150 -5.732 32 2HD LYS 3 1HD LYS 3 -0.435 13.739 -5.577 33 1HE LYS 3 2HE LYS 3 -0.321 11.941 -3.189 34 2HE LYS 3 1HE LYS 3 0.743 11.562 -4.559 35 1HZ LYS 3 1HZ LYS 3 1.462 13.880 -4.581 36 2HZ LYS 3 2HZ LYS 3 1.805 13.152 -3.084 37 3HZ LYS 3 3HZ LYS 3 0.485 14.212 -3.234 38 H ASP 4 H ASP 4 -1.320 17.392 -4.883 39 HA ASP 4 HA ASP 4 0.217 16.982 -7.392 40 1HB ASP 4 2HB ASP 4 0.134 19.108 -5.230 41 2HB ASP 4 1HB ASP 4 1.238 19.172 -6.604 42 HA PRO 5 HA PRO 5 3.577 15.028 -5.305 43 1HB PRO 5 2HB PRO 5 5.740 15.973 -6.690 44 2HB PRO 5 1HB PRO 5 4.618 14.769 -7.355 45 1HG PRO 5 2HG PRO 5 4.762 17.700 -7.857 46 2HG PRO 5 1HG PRO 5 4.425 16.376 -8.984 47 1HD PRO 5 2HD PRO 5 2.489 17.976 -7.934 48 2HD PRO 5 1HD PRO 5 2.205 16.292 -8.428 49 H ASN 6 H ASN 6 3.565 18.519 -5.652 50 HA ASN 6 HA ASN 6 5.788 19.220 -4.013 51 1HB ASN 6 2HB ASN 6 3.153 20.486 -4.752 52 2HB ASN 6 1HB ASN 6 4.263 21.310 -3.656 53 1HD2 ASN 6 1HD2 ASN 6 3.913 20.089 -6.982 54 2HD2 ASN 6 2HD2 ASN 6 5.215 20.972 -7.621 55 H ALA 7 H ALA 7 2.407 18.450 -3.163 56 HA ALA 7 HA ALA 7 3.103 18.734 -0.272 57 1HB ALA 7 1HB ALA 7 0.417 18.397 -1.637 58 2HB ALA 7 2HB ALA 7 1.158 19.958 -1.288 59 3HB ALA 7 3HB ALA 7 0.695 18.887 0.034 60 HA PRO 8 HA PRO 8 2.928 14.320 -0.042 61 1HB PRO 8 2HB PRO 8 3.096 14.043 2.656 62 2HB PRO 8 1HB PRO 8 4.472 14.386 1.595 63 1HG PRO 8 2HG PRO 8 3.131 16.128 3.488 64 2HG PRO 8 1HG PRO 8 4.689 16.262 2.681 65 1HD PRO 8 2HD PRO 8 2.274 17.642 2.031 66 2HD PRO 8 1HD PRO 8 3.878 17.801 1.290 67 H LYS 9 H LYS 9 0.536 14.531 -0.749 68 HA LYS 9 HA LYS 9 -1.614 14.706 1.135 69 1HB LYS 9 2HB LYS 9 -1.212 13.561 -1.627 70 2HB LYS 9 1HB LYS 9 -2.779 13.458 -0.829 71 1HG LYS 9 2HG LYS 9 -1.242 16.035 -1.245 72 2HG LYS 9 1HG LYS 9 -2.558 15.483 -2.280 73 1HD LYS 9 2HD LYS 9 -4.102 16.265 -0.839 74 2HD LYS 9 1HD LYS 9 -3.383 15.364 0.494 75 1HE LYS 9 2HE LYS 9 -2.019 17.159 1.143 76 2HE LYS 9 1HE LYS 9 -2.085 17.915 -0.462 77 1HZ LYS 9 1HZ LYS 9 -4.450 17.549 1.298 78 2HZ LYS 9 2HZ LYS 9 -4.383 18.416 -0.162 79 3HZ LYS 9 3HZ LYS 9 -3.560 18.990 1.208 80 H ARG 10 H ARG 10 -3.144 12.470 0.764 81 HA ARG 10 HA ARG 10 -2.559 10.706 2.813 82 1HB ARG 10 2HB ARG 10 -3.973 10.354 0.170 83 2HB ARG 10 1HB ARG 10 -3.980 9.087 1.396 84 1HG ARG 10 2HG ARG 10 -4.701 11.063 2.994 85 2HG ARG 10 1HG ARG 10 -5.226 11.811 1.485 86 1HD ARG 10 2HD ARG 10 -6.016 8.977 2.193 87 2HD ARG 10 1HD ARG 10 -6.982 10.375 2.701 88 HE ARG 10 HE ARG 10 -6.666 10.943 0.082 89 1HH1 ARG 10 1HH1 ARG 10 -5.970 7.923 -0.106 90 2HH1 ARG 10 2HH1 ARG 10 -7.495 7.291 -0.630 91 1HH2 ARG 10 1HH2 ARG 10 -9.263 10.163 0.176 92 2HH2 ARG 10 2HH2 ARG 10 -9.359 8.559 -0.470 93 HA PRO 11 HA PRO 11 1.098 8.672 1.089 94 1HB PRO 11 2HB PRO 11 1.629 7.096 3.266 95 2HB PRO 11 1HB PRO 11 2.074 8.811 3.182 96 1HG PRO 11 2HG PRO 11 -0.240 7.519 4.539 97 2HG PRO 11 1HG PRO 11 0.785 8.856 5.084 98 1HD PRO 11 2HD PRO 11 -1.692 9.221 4.043 99 2HD PRO 11 1HD PRO 11 -0.389 10.419 3.890 100 HA PRO 12 HA PRO 12 -0.430 4.766 -0.265 101 1HB PRO 12 2HB PRO 12 1.676 3.032 0.019 102 2HB PRO 12 1HB PRO 12 1.607 4.277 -1.245 103 1HG PRO 12 2HG PRO 12 3.047 4.308 1.364 104 2HG PRO 12 1HG PRO 12 3.581 4.879 -0.225 105 1HD PRO 12 2HD PRO 12 2.693 6.557 1.698 106 2HD PRO 12 1HD PRO 12 2.459 6.880 -0.034 107 H SER 13 H SER 13 -0.031 2.154 0.583 108 HA SER 13 HA SER 13 -0.128 1.882 3.481 109 1HB SER 13 2HB SER 13 -2.567 1.347 3.545 110 2HB SER 13 1HB SER 13 -2.257 3.017 3.081 111 HG SER 13 HG SER 13 -2.990 0.813 1.467 112 H ALA 14 H ALA 14 1.326 0.483 1.448 113 HA ALA 14 HA ALA 14 1.934 -1.729 0.995 114 1HB ALA 14 1HB ALA 14 1.302 -3.258 2.560 115 2HB ALA 14 2HB ALA 14 -0.414 -2.996 2.247 116 3HB ALA 14 3HB ALA 14 0.461 -1.912 3.328 117 H PHE 15 H PHE 15 -1.655 -1.964 1.070 118 HA PHE 15 HA PHE 15 -1.851 -3.383 -1.387 119 1HB PHE 15 2HB PHE 15 -3.604 -3.205 0.356 120 2HB PHE 15 1HB PHE 15 -3.820 -1.500 -0.041 121 HD1 PHE 15 1HD PHE 15 -5.768 -1.119 -1.257 122 HD2 PHE 15 2HD PHE 15 -3.463 -4.655 -2.055 123 HE1 PHE 15 1HE PHE 15 -7.338 -1.732 -3.077 124 HE2 PHE 15 2HE PHE 15 -5.034 -5.269 -3.874 125 HZ PHE 15 HZ PHE 15 -6.971 -3.806 -4.387 126 H PHE 16 H PHE 16 -1.470 0.054 -0.766 127 HA PHE 16 HA PHE 16 -2.415 0.967 -3.352 128 1HB PHE 16 2HB PHE 16 -2.009 2.173 -1.032 129 2HB PHE 16 1HB PHE 16 -0.386 2.425 -1.675 130 HD1 PHE 16 1HD PHE 16 -0.205 3.427 -4.064 131 HD2 PHE 16 2HD PHE 16 -3.759 3.612 -1.659 132 HE1 PHE 16 1HE PHE 16 -1.040 5.312 -5.443 133 HE2 PHE 16 2HE PHE 16 -4.595 5.495 -3.037 134 HZ PHE 16 HZ PHE 16 -3.235 6.347 -4.929 135 H LEU 17 H LEU 17 0.690 -0.160 -2.117 136 HA LEU 17 HA LEU 17 2.299 0.757 -4.355 137 1HB LEU 17 2HB LEU 17 2.535 -1.384 -2.229 138 2HB LEU 17 1HB LEU 17 3.794 -1.149 -3.443 139 HG LEU 17 HG LEU 17 3.619 1.374 -2.715 140 1HD1 LEU 17 1HD1 LEU 17 2.379 -0.143 -0.413 141 2HD1 LEU 17 2HD1 LEU 17 1.753 1.285 -1.238 142 3HD1 LEU 17 3HD1 LEU 17 3.164 1.420 -0.190 143 1HD2 LEU 17 1HD2 LEU 17 5.520 -0.323 -2.380 144 2HD2 LEU 17 2HD2 LEU 17 4.869 -0.557 -0.758 145 3HD2 LEU 17 3HD2 LEU 17 5.460 1.029 -1.249 146 H PHE 18 H PHE 18 1.483 -2.566 -3.488 147 HA PHE 18 HA PHE 18 1.817 -4.021 -5.777 148 1HB PHE 18 2HB PHE 18 0.903 -4.913 -3.687 149 2HB PHE 18 1HB PHE 18 -0.607 -4.041 -3.945 150 HD1 PHE 18 1HD PHE 18 1.565 -6.753 -5.286 151 HD2 PHE 18 2HD PHE 18 -2.319 -4.920 -5.354 152 HE1 PHE 18 1HE PHE 18 0.683 -8.669 -6.592 153 HE2 PHE 18 2HE PHE 18 -3.201 -6.835 -6.660 154 HZ PHE 18 HZ PHE 18 -1.701 -8.712 -7.278 155 H CYS 19 H CYS 19 -1.340 -2.328 -5.185 156 HA CYS 19 HA CYS 19 -2.351 -2.745 -7.816 157 1HB CYS 19 2HB CYS 19 -3.652 -2.105 -5.790 158 2HB CYS 19 1HB CYS 19 -2.897 -0.514 -5.835 159 HG CYS 19 HG CYS 19 -4.090 -0.106 -8.163 160 H SER 20 H SER 20 -0.596 0.022 -6.420 161 HA SER 20 HA SER 20 -0.698 1.790 -8.627 162 1HB SER 20 2HB SER 20 0.124 2.469 -6.465 163 2HB SER 20 1HB SER 20 1.414 1.272 -6.517 164 HG SER 20 HG SER 20 1.773 3.639 -7.172 165 H GLU 21 H GLU 21 1.421 -1.017 -8.095 166 HA GLU 21 HA GLU 21 3.022 -0.355 -10.488 167 1HB GLU 21 2HB GLU 21 4.322 -2.333 -9.779 168 2HB GLU 21 1HB GLU 21 4.075 -1.216 -8.439 169 1HG GLU 21 2HG GLU 21 2.437 -2.596 -7.438 170 2HG GLU 21 1HG GLU 21 2.195 -3.527 -8.917 171 H HIS 22 H HIS 22 0.356 -2.537 -9.622 172 HA HIS 22 HA HIS 22 0.654 -3.979 -12.211 173 1HB HIS 22 2HB HIS 22 -0.937 -4.347 -9.667 174 2HB HIS 22 1HB HIS 22 -1.255 -5.315 -11.106 175 HD1 HIS 22 1HD HIS 22 1.094 -6.461 -12.122 176 HD2 HIS 22 2HD HIS 22 0.990 -5.480 -8.073 177 HE1 HIS 22 1HE HIS 22 2.924 -7.814 -11.010 178 H ARG 23 H ARG 23 -0.498 -1.086 -11.660 179 HA ARG 23 HA ARG 23 -3.294 -1.375 -12.508 180 1HB ARG 23 2HB ARG 23 -2.546 0.318 -10.879 181 2HB ARG 23 1HB ARG 23 -1.517 1.050 -12.104 182 1HG ARG 23 2HG ARG 23 -3.292 1.957 -13.261 183 2HG ARG 23 1HG ARG 23 -4.393 0.663 -12.786 184 1HD ARG 23 2HD ARG 23 -5.128 2.588 -11.565 185 2HD ARG 23 1HD ARG 23 -4.203 1.633 -10.389 186 HE ARG 23 HE ARG 23 -2.211 3.128 -11.291 187 1HH1 ARG 23 1HH2 ARG 23 -3.701 4.182 -8.922 188 2HH1 ARG 23 2HH2 ARG 23 -4.138 5.775 -9.444 189 1HH2 ARG 23 1HH1 ARG 23 -3.548 5.126 -12.799 190 2HH2 ARG 23 2HH1 ARG 23 -4.052 6.309 -11.639 191 HA PRO 24 HA PRO 24 -1.560 0.543 -16.511 192 1HB PRO 24 2HB PRO 24 1.125 0.447 -16.999 193 2HB PRO 24 1HB PRO 24 0.340 1.810 -16.176 194 1HG PRO 24 2HG PRO 24 1.941 -0.413 -15.049 195 2HG PRO 24 1HG PRO 24 1.818 1.273 -14.527 196 1HD PRO 24 2HD PRO 24 0.556 -0.859 -13.319 197 2HD PRO 24 1HD PRO 24 0.067 0.838 -13.160 198 H LYS 25 H LYS 25 -0.555 -2.423 -15.113 199 HA LYS 25 HA LYS 25 0.246 -3.734 -17.619 200 1HB LYS 25 2HB LYS 25 1.159 -4.259 -15.343 201 2HB LYS 25 1HB LYS 25 -0.438 -4.844 -14.875 202 1HG LYS 25 2HG LYS 25 -0.360 -6.545 -16.639 203 2HG LYS 25 1HG LYS 25 1.210 -5.941 -17.172 204 1HD LYS 25 2HD LYS 25 2.149 -6.465 -14.932 205 2HD LYS 25 1HD LYS 25 0.588 -7.133 -14.454 206 1HE LYS 25 2HE LYS 25 1.993 -8.143 -16.931 207 2HE LYS 25 1HE LYS 25 2.371 -8.806 -15.328 208 1HZ LYS 25 1HZ LYS 25 0.545 -10.027 -16.335 209 2HZ LYS 25 2HZ LYS 25 -0.341 -8.590 -16.528 210 3HZ LYS 25 3HZ LYS 25 0.001 -9.177 -14.971 211 H ILE 26 H ILE 26 -2.604 -3.560 -15.513 212 HA ILE 26 HA ILE 26 -4.135 -5.590 -16.922 213 HB ILE 26 HB ILE 26 -4.949 -3.303 -15.092 214 1HG1 ILE 26 2HG1 ILE 26 -3.318 -4.818 -14.049 215 2HG1 ILE 26 1HG1 ILE 26 -4.903 -5.035 -13.321 216 1HG2 ILE 26 1HG2 ILE 26 -6.793 -5.205 -14.646 217 2HG2 ILE 26 2HG2 ILE 26 -6.429 -5.576 -16.331 218 3HG2 ILE 26 3HG2 ILE 26 -7.003 -3.969 -15.886 219 1HD1 ILE 26 1HD1 ILE 26 -4.000 -7.234 -13.716 220 2HD1 ILE 26 2HD1 ILE 26 -3.572 -6.819 -15.377 221 3HD1 ILE 26 3HD1 ILE 26 -5.268 -6.971 -14.915 222 H LYS 27 H LYS 27 -3.400 -2.265 -17.589 223 HA LYS 27 HA LYS 27 -5.809 -1.669 -19.128 224 1HB LYS 27 2HB LYS 27 -3.103 -0.423 -18.662 225 2HB LYS 27 1HB LYS 27 -4.206 0.253 -19.862 226 1HG LYS 27 2HG LYS 27 -5.982 0.243 -18.012 227 2HG LYS 27 1HG LYS 27 -4.654 -0.050 -16.889 228 1HD LYS 27 2HD LYS 27 -3.628 2.021 -17.373 229 2HD LYS 27 1HD LYS 27 -4.551 2.228 -18.863 230 1HE LYS 27 2HE LYS 27 -6.648 2.360 -17.434 231 2HE LYS 27 1HE LYS 27 -5.581 2.441 -16.018 232 1HZ LYS 27 1HZ LYS 27 -5.451 4.243 -18.379 233 2HZ LYS 27 2HZ LYS 27 -4.436 4.312 -17.020 234 3HZ LYS 27 3HZ LYS 27 -6.090 4.660 -16.865 235 H SER 28 H SER 28 -2.812 -3.322 -19.776 236 HA SER 28 HA SER 28 -2.783 -2.872 -22.660 237 1HB SER 28 2HB SER 28 -0.808 -3.401 -21.201 238 2HB SER 28 1HB SER 28 -1.469 -5.016 -20.957 239 HG SER 28 HG SER 28 0.070 -4.885 -22.684 240 H GLU 29 H GLU 29 -4.132 -5.296 -20.471 241 HA GLU 29 HA GLU 29 -5.095 -6.899 -22.804 242 1HB GLU 29 2HB GLU 29 -4.608 -7.403 -19.872 243 2HB GLU 29 1HB GLU 29 -5.598 -8.511 -20.822 244 1HG GLU 29 2HG GLU 29 -3.616 -8.487 -22.504 245 2HG GLU 29 1HG GLU 29 -2.680 -7.840 -21.156 246 H HIS 30 H HIS 30 -6.232 -4.399 -20.918 247 HA HIS 30 HA HIS 30 -9.053 -5.206 -21.398 248 1HB HIS 30 2HB HIS 30 -7.906 -4.323 -18.728 249 2HB HIS 30 1HB HIS 30 -9.615 -4.585 -19.056 250 HD1 HIS 30 1HD HIS 30 -10.455 -7.007 -19.187 251 HD2 HIS 30 2HD HIS 30 -6.330 -6.729 -18.671 252 HE1 HIS 30 1HE HIS 30 -9.644 -9.343 -18.637 253 HA PRO 31 HA PRO 31 -8.100 -0.788 -22.427 254 1HB PRO 31 2HB PRO 31 -9.645 -0.728 -24.693 255 2HB PRO 31 1HB PRO 31 -7.951 -1.260 -24.690 256 1HG PRO 31 2HG PRO 31 -10.445 -2.898 -24.652 257 2HG PRO 31 1HG PRO 31 -8.951 -3.143 -25.573 258 1HD PRO 31 2HD PRO 31 -9.496 -4.538 -23.327 259 2HD PRO 31 1HD PRO 31 -7.840 -4.079 -23.783 260 H GLY 32 H GLY 32 -9.332 0.164 -20.791 261 1HA GLY 32 2HA GLY 32 -11.402 1.573 -20.602 262 2HA GLY 32 1HA GLY 32 -12.299 0.170 -21.183 263 H LEU 33 H LEU 33 -10.306 -1.481 -19.408 264 HA LEU 33 HA LEU 33 -11.907 -2.220 -17.303 265 1HB LEU 33 2HB LEU 33 -9.425 -2.799 -18.178 266 2HB LEU 33 1HB LEU 33 -9.002 -1.905 -16.720 267 HG LEU 33 HG LEU 33 -9.200 -4.321 -16.258 268 1HD1 LEU 33 1HD1 LEU 33 -9.883 -2.520 -14.585 269 2HD1 LEU 33 2HD1 LEU 33 -10.534 -4.134 -14.297 270 3HD1 LEU 33 3HD1 LEU 33 -11.552 -2.889 -15.019 271 1HD2 LEU 33 1HD2 LEU 33 -10.943 -5.600 -16.961 272 2HD2 LEU 33 2HD2 LEU 33 -11.297 -4.262 -18.053 273 3HD2 LEU 33 3HD2 LEU 33 -12.137 -4.383 -16.509 274 H SER 34 H SER 34 -12.731 -1.262 -15.552 275 HA SER 34 HA SER 34 -11.668 1.376 -14.657 276 1HB SER 34 2HB SER 34 -13.939 1.321 -13.462 277 2HB SER 34 1HB SER 34 -13.981 1.351 -15.220 278 HG SER 34 HG SER 34 -15.330 -0.273 -14.584 279 H ILE 35 H ILE 35 -12.492 1.522 -12.101 280 HA ILE 35 HA ILE 35 -10.613 -0.190 -10.650 281 HB ILE 35 HB ILE 35 -12.644 1.881 -9.747 282 1HG1 ILE 35 2HG1 ILE 35 -10.987 2.792 -11.336 283 2HG1 ILE 35 1HG1 ILE 35 -10.708 3.421 -9.715 284 1HG2 ILE 35 1HG2 ILE 35 -10.332 0.523 -8.346 285 2HG2 ILE 35 2HG2 ILE 35 -12.021 0.590 -7.840 286 3HG2 ILE 35 3HG2 ILE 35 -11.022 2.044 -7.778 287 1HD1 ILE 35 1HD1 ILE 35 -9.184 1.180 -11.077 288 2HD1 ILE 35 2HD1 ILE 35 -8.972 1.632 -9.386 289 3HD1 ILE 35 3HD1 ILE 35 -8.567 2.779 -10.663 290 H GLY 36 H GLY 36 -13.785 -0.695 -11.699 291 1HA GLY 36 2HA GLY 36 -14.637 -2.178 -9.285 292 2HA GLY 36 1HA GLY 36 -15.623 -1.884 -10.717 293 H ASP 37 H ASP 37 -12.391 -2.975 -11.287 294 HA ASP 37 HA ASP 37 -13.203 -5.828 -11.455 295 1HB ASP 37 2HB ASP 37 -12.610 -3.934 -13.703 296 2HB ASP 37 1HB ASP 37 -12.122 -5.619 -13.875 297 H THR 38 H THR 38 -10.588 -3.562 -12.417 298 HA THR 38 HA THR 38 -8.447 -5.440 -12.042 299 HB THR 38 HB THR 38 -8.699 -2.423 -12.198 300 HG1 THR 38 1HG THR 38 -7.914 -2.781 -14.227 301 1HG2 THR 38 1HG2 THR 38 -6.687 -2.970 -10.820 302 2HG2 THR 38 2HG2 THR 38 -6.266 -2.256 -12.377 303 3HG2 THR 38 3HG2 THR 38 -6.104 -3.993 -12.132 304 H ALA 39 H ALA 39 -9.976 -3.071 -9.874 305 HA ALA 39 HA ALA 39 -8.093 -3.362 -7.691 306 1HB ALA 39 1HB ALA 39 -9.726 -1.475 -8.120 307 2HB ALA 39 2HB ALA 39 -9.773 -2.101 -6.472 308 3HB ALA 39 3HB ALA 39 -11.023 -2.564 -7.627 309 H LYS 40 H LYS 40 -10.936 -5.131 -8.743 310 HA LYS 40 HA LYS 40 -11.260 -6.641 -6.255 311 1HB LYS 40 2HB LYS 40 -12.333 -6.827 -9.086 312 2HB LYS 40 1HB LYS 40 -12.792 -7.975 -7.828 313 1HG LYS 40 2HG LYS 40 -13.182 -5.609 -6.521 314 2HG LYS 40 1HG LYS 40 -13.579 -5.143 -8.175 315 1HD LYS 40 2HD LYS 40 -15.341 -6.681 -8.325 316 2HD LYS 40 1HD LYS 40 -14.711 -7.675 -7.010 317 1HE LYS 40 2HE LYS 40 -15.102 -5.309 -5.698 318 2HE LYS 40 1HE LYS 40 -16.426 -5.266 -6.880 319 1HZ LYS 40 1HZ LYS 40 -17.085 -6.501 -4.909 320 2HZ LYS 40 2HZ LYS 40 -15.762 -7.550 -5.096 321 3HZ LYS 40 3HZ LYS 40 -17.006 -7.532 -6.253 322 H LYS 41 H LYS 41 -9.781 -7.094 -9.434 323 HA LYS 41 HA LYS 41 -8.973 -9.856 -9.026 324 1HB LYS 41 2HB LYS 41 -9.254 -8.475 -11.194 325 2HB LYS 41 1HB LYS 41 -7.664 -7.805 -10.828 326 1HG LYS 41 2HG LYS 41 -6.701 -10.066 -10.794 327 2HG LYS 41 1HG LYS 41 -8.291 -10.757 -11.123 328 1HD LYS 41 2HD LYS 41 -7.150 -8.676 -12.970 329 2HD LYS 41 1HD LYS 41 -6.643 -10.359 -13.119 330 1HE LYS 41 2HE LYS 41 -8.925 -11.089 -13.489 331 2HE LYS 41 1HE LYS 41 -9.547 -9.467 -13.128 332 1HZ LYS 41 1HZ LYS 41 -7.685 -10.174 -15.334 333 2HZ LYS 41 2HZ LYS 41 -8.200 -8.599 -14.957 334 3HZ LYS 41 3HZ LYS 41 -9.318 -9.753 -15.510 335 H LEU 42 H LEU 42 -7.137 -6.779 -9.004 336 HA LEU 42 HA LEU 42 -4.620 -7.677 -8.169 337 1HB LEU 42 2HB LEU 42 -6.252 -5.214 -7.979 338 2HB LEU 42 1HB LEU 42 -4.887 -5.293 -6.875 339 HG LEU 42 HG LEU 42 -3.378 -5.778 -8.771 340 1HD1 LEU 42 1HD1 LEU 42 -5.730 -5.180 -10.577 341 2HD1 LEU 42 2HD1 LEU 42 -5.258 -6.829 -10.168 342 3HD1 LEU 42 3HD1 LEU 42 -4.136 -5.780 -11.034 343 1HD2 LEU 42 1HD2 LEU 42 -4.984 -3.383 -9.589 344 2HD2 LEU 42 2HD2 LEU 42 -3.233 -3.561 -9.452 345 3HD2 LEU 42 3HD2 LEU 42 -4.220 -3.410 -7.999 346 H GLY 43 H GLY 43 -7.166 -6.437 -5.947 347 1HA GLY 43 2HA GLY 43 -5.891 -7.036 -3.513 348 2HA GLY 43 1HA GLY 43 -7.647 -7.010 -3.712 349 H GLU 44 H GLU 44 -7.555 -9.184 -5.734 350 HA GLU 44 HA GLU 44 -7.740 -11.462 -3.939 351 1HB GLU 44 2HB GLU 44 -8.973 -10.926 -6.166 352 2HB GLU 44 1HB GLU 44 -7.518 -11.536 -6.955 353 1HG GLU 44 2HG GLU 44 -8.967 -13.418 -6.776 354 2HG GLU 44 1HG GLU 44 -7.779 -13.622 -5.489 355 H MET 45 H MET 45 -5.364 -10.229 -6.259 356 HA MET 45 HA MET 45 -3.561 -12.522 -5.965 357 1HB MET 45 2HB MET 45 -3.547 -9.833 -7.336 358 2HB MET 45 1HB MET 45 -2.081 -10.812 -7.272 359 1HG MET 45 2HG MET 45 -3.284 -12.692 -8.320 360 2HG MET 45 1HG MET 45 -4.753 -11.718 -8.385 361 1HE MET 45 1HE MET 45 -4.040 -12.916 -11.022 362 2HE MET 45 2HE MET 45 -4.168 -11.502 -12.065 363 3HE MET 45 3HE MET 45 -5.283 -11.696 -10.714 364 H TRP 46 H TRP 46 -3.689 -9.129 -4.848 365 HA TRP 46 HA TRP 46 -1.218 -8.886 -3.505 366 1HB TRP 46 2HB TRP 46 -2.772 -7.057 -3.814 367 2HB TRP 46 1HB TRP 46 -4.010 -7.861 -2.858 368 HD1 TRP 46 HD TRP 46 -4.179 -6.818 -0.538 369 HE1 TRP 46 1HE TRP 46 -2.525 -5.792 1.154 370 HE3 TRP 46 3HE TRP 46 0.151 -7.296 -3.166 371 HZ2 TRP 46 2HZ TRP 46 0.283 -5.251 1.355 372 HZ3 TRP 46 3HZ TRP 46 2.306 -6.522 -2.214 373 HH2 TRP 46 HH TRP 46 2.370 -5.505 0.038 374 H SER 47 H SER 47 -4.311 -10.147 -2.177 375 HA SER 47 HA SER 47 -3.272 -10.876 0.397 376 1HB SER 47 2HB SER 47 -5.694 -10.609 -0.515 377 2HB SER 47 1HB SER 47 -5.520 -12.276 -1.054 378 HG SER 47 HG SER 47 -5.073 -11.353 1.597 379 H GLU 48 H GLU 48 -2.675 -12.257 -2.693 380 HA GLU 48 HA GLU 48 -2.007 -14.914 -1.541 381 1HB GLU 48 2HB GLU 48 -2.764 -13.795 -4.220 382 2HB GLU 48 1HB GLU 48 -1.813 -15.278 -4.159 383 1HG GLU 48 2HG GLU 48 -4.360 -14.922 -2.569 384 2HG GLU 48 1HG GLU 48 -4.347 -15.590 -4.202 385 H GLN 49 H GLN 49 -0.567 -11.940 -2.581 386 HA GLN 49 HA GLN 49 1.870 -12.856 -3.731 387 1HB GLN 49 2HB GLN 49 1.180 -10.452 -2.005 388 2HB GLN 49 1HB GLN 49 2.696 -10.617 -2.884 389 1HG GLN 49 2HG GLN 49 -0.071 -10.565 -4.115 390 2HG GLN 49 1HG GLN 49 1.105 -9.260 -4.168 391 1HE2 GLN 49 1HE2 GLN 49 -0.120 -11.106 -6.351 392 2HE2 GLN 49 2HE2 GLN 49 1.237 -11.660 -7.205 393 H SER 50 H SER 50 3.824 -13.457 -2.767 394 HA SER 50 HA SER 50 3.688 -14.361 0.051 395 1HB SER 50 2HB SER 50 5.664 -15.632 -0.584 396 2HB SER 50 1HB SER 50 4.497 -15.771 -1.896 397 HG SER 50 HG SER 50 5.748 -14.590 -3.142 398 H ALA 51 H ALA 51 6.640 -14.085 0.352 399 HA ALA 51 HA ALA 51 6.685 -11.353 1.387 400 1HB ALA 51 1HB ALA 51 9.086 -12.120 1.935 401 2HB ALA 51 2HB ALA 51 8.627 -13.669 1.230 402 3HB ALA 51 3HB ALA 51 7.775 -13.059 2.647 403 H LYS 52 H LYS 52 7.204 -12.583 -1.725 404 HA LYS 52 HA LYS 52 9.490 -10.909 -2.471 405 1HB LYS 52 2HB LYS 52 8.660 -13.170 -3.441 406 2HB LYS 52 1HB LYS 52 7.467 -12.202 -4.306 407 1HG LYS 52 2HG LYS 52 9.335 -10.818 -5.235 408 2HG LYS 52 1HG LYS 52 10.480 -11.919 -4.468 409 1HD LYS 52 2HD LYS 52 9.855 -13.728 -5.844 410 2HD LYS 52 1HD LYS 52 8.334 -12.965 -6.306 411 1HE LYS 52 2HE LYS 52 9.560 -11.253 -7.591 412 2HE LYS 52 1HE LYS 52 11.101 -11.993 -7.112 413 1HZ LYS 52 1HZ LYS 52 10.371 -14.076 -8.091 414 2HZ LYS 52 2HZ LYS 52 10.356 -12.842 -9.259 415 3HZ LYS 52 3HZ LYS 52 8.901 -13.372 -8.561 416 H ASP 53 H ASP 53 5.957 -10.838 -2.939 417 HA ASP 53 HA ASP 53 6.187 -7.958 -3.765 418 1HB ASP 53 2HB ASP 53 4.822 -10.320 -4.879 419 2HB ASP 53 1HB ASP 53 3.773 -8.912 -4.720 420 H LYS 54 H LYS 54 6.080 -8.284 -1.144 421 HA LYS 54 HA LYS 54 3.524 -7.170 -0.343 422 1HB LYS 54 2HB LYS 54 3.563 -9.877 -0.625 423 2HB LYS 54 1HB LYS 54 4.025 -9.715 1.064 424 1HG LYS 54 2HG LYS 54 2.015 -8.078 1.237 425 2HG LYS 54 1HG LYS 54 1.515 -8.752 -0.308 426 1HD LYS 54 2HD LYS 54 0.400 -9.962 1.483 427 2HD LYS 54 1HD LYS 54 1.566 -11.026 0.697 428 1HE LYS 54 2HE LYS 54 2.997 -11.038 2.529 429 2HE LYS 54 1HE LYS 54 2.483 -9.425 3.066 430 1HZ LYS 54 1HZ LYS 54 0.250 -10.422 3.486 431 2HZ LYS 54 2HZ LYS 54 1.474 -10.999 4.515 432 3HZ LYS 54 3HZ LYS 54 0.931 -11.953 3.217 433 H GLN 55 H GLN 55 6.586 -8.658 0.671 434 HA GLN 55 HA GLN 55 6.537 -7.627 3.382 435 1HB GLN 55 2HB GLN 55 8.416 -8.979 1.521 436 2HB GLN 55 1HB GLN 55 9.154 -8.078 2.842 437 1HG GLN 55 2HG GLN 55 6.958 -10.135 3.206 438 2HG GLN 55 1HG GLN 55 8.676 -10.470 3.423 439 1HE2 GLN 55 1HE2 GLN 55 5.861 -9.053 4.916 440 2HE2 GLN 55 2HE2 GLN 55 6.625 -8.545 6.344 441 HA PRO 56 HA PRO 56 9.415 -4.198 1.716 442 1HB PRO 56 2HB PRO 56 9.741 -3.924 -0.985 443 2HB PRO 56 1HB PRO 56 10.789 -4.948 0.017 444 1HG PRO 56 2HG PRO 56 8.516 -5.715 -1.743 445 2HG PRO 56 1HG PRO 56 10.061 -6.535 -1.472 446 1HD PRO 56 2HD PRO 56 7.719 -7.315 -0.329 447 2HD PRO 56 1HD PRO 56 9.312 -7.606 0.401 448 H TYR 57 H TYR 57 6.338 -4.997 0.461 449 HA TYR 57 HA TYR 57 5.741 -2.343 -0.667 450 1HB TYR 57 2HB TYR 57 4.260 -4.936 -0.208 451 2HB TYR 57 1HB TYR 57 3.438 -3.498 -0.816 452 HD1 TYR 57 1HD TYR 57 6.521 -5.542 -1.454 453 HD2 TYR 57 2HD TYR 57 3.382 -3.128 -3.118 454 HE1 TYR 57 1HE TYR 57 7.361 -6.023 -3.737 455 HE2 TYR 57 2HE TYR 57 4.222 -3.608 -5.401 456 HH TYR 57 HH TYR 57 7.171 -4.694 -6.082 457 H GLU 58 H GLU 58 4.891 -4.241 2.239 458 HA GLU 58 HA GLU 58 3.142 -2.146 3.299 459 1HB GLU 58 2HB GLU 58 3.021 -3.701 5.222 460 2HB GLU 58 1HB GLU 58 2.789 -4.553 3.698 461 1HG GLU 58 2HG GLU 58 4.441 -5.949 4.352 462 2HG GLU 58 1HG GLU 58 5.556 -4.611 4.079 463 H GLN 59 H GLN 59 6.547 -2.930 3.506 464 HA GLN 59 HA GLN 59 7.081 -1.492 5.982 465 1HB GLN 59 2HB GLN 59 8.721 -2.565 3.676 466 2HB GLN 59 1HB GLN 59 9.467 -1.721 5.035 467 1HG GLN 59 2HG GLN 59 8.489 -3.346 6.600 468 2HG GLN 59 1HG GLN 59 7.708 -4.183 5.258 469 1HE2 GLN 59 1HE2 GLN 59 8.860 -6.037 4.730 470 2HE2 GLN 59 2HE2 GLN 59 10.552 -6.175 4.740 471 H LYS 60 H LYS 60 8.290 -0.757 2.691 472 HA LYS 60 HA LYS 60 9.059 1.881 3.024 473 1HB LYS 60 2HB LYS 60 9.273 0.383 1.014 474 2HB LYS 60 1HB LYS 60 7.597 0.761 0.619 475 1HG LYS 60 2HG LYS 60 8.440 3.260 0.875 476 2HG LYS 60 1HG LYS 60 10.010 2.533 0.531 477 1HD LYS 60 2HD LYS 60 9.215 1.625 -1.557 478 2HD LYS 60 1HD LYS 60 7.554 2.092 -1.186 479 1HE LYS 60 2HE LYS 60 8.288 3.817 -2.634 480 2HE LYS 60 1HE LYS 60 8.546 4.520 -1.024 481 1HZ LYS 60 1HZ LYS 60 10.811 3.663 -1.057 482 2HZ LYS 60 2HZ LYS 60 10.548 4.711 -2.369 483 3HZ LYS 60 3HZ LYS 60 10.570 3.029 -2.612 484 H ALA 61 H ALA 61 5.728 0.734 2.893 485 HA ALA 61 HA ALA 61 4.677 3.486 2.524 486 1HB ALA 61 1HB ALA 61 2.757 2.399 1.874 487 2HB ALA 61 2HB ALA 61 2.919 1.164 3.122 488 3HB ALA 61 3HB ALA 61 3.870 1.052 1.641 489 H ALA 62 H ALA 62 4.917 0.924 4.956 490 HA ALA 62 HA ALA 62 3.273 2.200 6.966 491 1HB ALA 62 1HB ALA 62 5.469 0.107 7.037 492 2HB ALA 62 2HB ALA 62 3.728 -0.177 7.013 493 3HB ALA 62 3HB ALA 62 4.486 0.530 8.440 494 H LYS 63 H LYS 63 6.695 2.425 6.079 495 HA LYS 63 HA LYS 63 7.346 4.041 8.468 496 1HB LYS 63 2HB LYS 63 8.820 2.271 7.400 497 2HB LYS 63 1HB LYS 63 9.011 3.362 6.027 498 1HG LYS 63 2HG LYS 63 10.059 5.036 7.390 499 2HG LYS 63 1HG LYS 63 9.640 4.177 8.873 500 1HD LYS 63 2HD LYS 63 11.033 2.226 7.925 501 2HD LYS 63 1HD LYS 63 11.668 3.403 6.774 502 1HE LYS 63 2HE LYS 63 12.442 4.830 8.634 503 2HE LYS 63 1HE LYS 63 11.793 3.662 9.802 504 1HZ LYS 63 1HZ LYS 63 13.814 3.069 7.703 505 2HZ LYS 63 2HZ LYS 63 13.174 1.945 8.806 506 3HZ LYS 63 3HZ LYS 63 14.138 3.231 9.360 507 H LEU 64 H LEU 64 6.006 4.616 5.393 508 HA LEU 64 HA LEU 64 7.152 7.363 5.189 509 1HB LEU 64 2HB LEU 64 5.954 5.328 3.379 510 2HB LEU 64 1HB LEU 64 5.598 7.012 2.991 511 HG LEU 64 HG LEU 64 8.389 5.932 3.471 512 1HD1 LEU 64 1HD1 LEU 64 8.632 5.572 1.214 513 2HD1 LEU 64 2HD1 LEU 64 7.483 6.839 0.783 514 3HD1 LEU 64 3HD1 LEU 64 6.898 5.268 1.328 515 1HD2 LEU 64 1HD2 LEU 64 7.216 8.596 2.701 516 2HD2 LEU 64 2HD2 LEU 64 8.844 8.165 2.179 517 3HD2 LEU 64 3HD2 LEU 64 8.460 8.240 3.899 518 H LYS 65 H LYS 65 4.221 5.557 5.857 519 HA LYS 65 HA LYS 65 2.364 7.769 5.582 520 1HB LYS 65 2HB LYS 65 1.762 5.374 5.402 521 2HB LYS 65 1HB LYS 65 2.214 5.134 7.090 522 1HG LYS 65 2HG LYS 65 0.358 6.256 7.891 523 2HG LYS 65 1HG LYS 65 0.236 7.288 6.465 524 1HD LYS 65 2HD LYS 65 -0.765 5.573 5.170 525 2HD LYS 65 1HD LYS 65 -0.282 4.318 6.313 526 1HE LYS 65 2HE LYS 65 -2.091 6.536 7.248 527 2HE LYS 65 1HE LYS 65 -2.769 5.162 6.351 528 1HZ LYS 65 1HZ LYS 65 -1.017 4.968 8.744 529 2HZ LYS 65 2HZ LYS 65 -1.656 3.655 7.876 530 3HZ LYS 65 3HZ LYS 65 -2.691 4.697 8.731 531 H GLU 66 H GLU 66 3.939 6.159 8.361 532 HA GLU 66 HA GLU 66 2.817 7.718 10.455 533 1HB GLU 66 2HB GLU 66 4.314 5.590 10.433 534 2HB GLU 66 1HB GLU 66 5.667 6.722 10.411 535 1HG GLU 66 2HG GLU 66 4.933 7.739 12.482 536 2HG GLU 66 1HG GLU 66 3.444 6.794 12.469 537 H LYS 67 H LYS 67 5.705 8.303 8.451 538 HA LYS 67 HA LYS 67 6.435 10.769 9.841 539 1HB LYS 67 2HB LYS 67 7.866 9.049 8.508 540 2HB LYS 67 1HB LYS 67 7.306 9.921 7.081 541 1HG LYS 67 2HG LYS 67 8.091 12.054 8.290 542 2HG LYS 67 1HG LYS 67 8.953 10.971 9.383 543 1HD LYS 67 2HD LYS 67 9.256 10.751 6.388 544 2HD LYS 67 1HD LYS 67 10.252 11.856 7.336 545 1HE LYS 67 2HE LYS 67 11.153 10.035 8.652 546 2HE LYS 67 1HE LYS 67 10.012 8.886 7.925 547 1HZ LYS 67 1HZ LYS 67 10.949 9.366 5.756 548 2HZ LYS 67 2HZ LYS 67 12.168 8.819 6.805 549 3HZ LYS 67 3HZ LYS 67 12.039 10.472 6.437 550 H TYR 68 H TYR 68 4.339 9.915 7.176 551 HA TYR 68 HA TYR 68 4.266 12.464 5.829 552 1HB TYR 68 2HB TYR 68 3.038 9.845 5.730 553 2HB TYR 68 1HB TYR 68 1.794 11.067 5.583 554 HD1 TYR 68 1HD TYR 68 5.306 10.569 4.379 555 HD2 TYR 68 2HD TYR 68 1.279 11.696 3.403 556 HE1 TYR 68 1HE TYR 68 5.987 10.949 2.022 557 HE2 TYR 68 2HE TYR 68 1.960 12.078 1.044 558 HH TYR 68 HH TYR 68 4.604 12.681 -0.031 559 H GLU 69 H GLU 69 2.086 10.940 8.197 560 HA GLU 69 HA GLU 69 0.181 12.981 8.531 561 1HB GLU 69 2HB GLU 69 1.402 11.115 10.593 562 2HB GLU 69 1HB GLU 69 -0.156 11.929 10.754 563 1HG GLU 69 2HG GLU 69 -0.665 10.808 8.430 564 2HG GLU 69 1HG GLU 69 0.633 9.707 8.889 565 H LYS 70 H LYS 70 3.365 12.651 10.085 566 HA LYS 70 HA LYS 70 3.092 15.038 11.745 567 1HB LYS 70 2HB LYS 70 5.099 12.967 11.059 568 2HB LYS 70 1HB LYS 70 5.783 14.539 11.473 569 1HG LYS 70 2HG LYS 70 5.611 13.636 13.592 570 2HG LYS 70 1HG LYS 70 4.014 14.374 13.463 571 1HD LYS 70 2HD LYS 70 4.365 11.590 12.427 572 2HD LYS 70 1HD LYS 70 4.291 11.824 14.175 573 1HE LYS 70 2HE LYS 70 2.196 13.366 13.475 574 2HE LYS 70 1HE LYS 70 2.158 12.210 12.129 575 1HZ LYS 70 1HZ LYS 70 0.930 11.323 13.996 576 2HZ LYS 70 2HZ LYS 70 2.267 11.535 15.023 577 3HZ LYS 70 3HZ LYS 70 2.335 10.404 13.755 578 H ASP 71 H ASP 71 4.698 14.184 8.714 579 HA ASP 71 HA ASP 71 5.878 16.673 8.026 580 1HB ASP 71 2HB ASP 71 4.980 14.179 6.719 581 2HB ASP 71 1HB ASP 71 5.065 15.564 5.636 582 H ILE 72 H ILE 72 2.692 15.387 7.024 583 HA ILE 72 HA ILE 72 1.780 17.803 5.771 584 HB ILE 72 HB ILE 72 0.559 15.251 6.828 585 1HG1 ILE 72 2HG1 ILE 72 1.790 15.247 4.686 586 2HG1 ILE 72 1HG1 ILE 72 0.081 14.893 4.440 587 1HG2 ILE 72 1HG2 ILE 72 -0.968 17.642 5.755 588 2HG2 ILE 72 2HG2 ILE 72 -1.252 16.765 7.259 589 3HG2 ILE 72 3HG2 ILE 72 -1.616 16.001 5.712 590 1HD1 ILE 72 1HD1 ILE 72 1.560 17.462 3.854 591 2HD1 ILE 72 2HD1 ILE 72 -0.197 17.422 3.993 592 3HD1 ILE 72 3HD1 ILE 72 0.610 16.474 2.748 593 H ALA 73 H ALA 73 1.710 16.677 9.117 594 HA ALA 73 HA ALA 73 -0.241 18.510 10.149 595 1HB ALA 73 1HB ALA 73 2.202 17.230 11.422 596 2HB ALA 73 2HB ALA 73 0.590 16.521 11.336 597 3HB ALA 73 3HB ALA 73 0.868 17.964 12.312 598 H ALA 74 H ALA 74 3.300 18.772 9.768 599 HA ALA 74 HA ALA 74 3.365 21.494 10.878 600 1HB ALA 74 1HB ALA 74 5.752 21.261 10.468 601 2HB ALA 74 2HB ALA 74 5.470 19.883 9.403 602 3HB ALA 74 3HB ALA 74 5.153 19.741 11.132 603 H TYR 75 H TYR 75 3.056 19.995 7.736 604 HA TYR 75 HA TYR 75 3.809 22.440 6.259 605 1HB TYR 75 2HB TYR 75 4.219 19.956 5.636 606 2HB TYR 75 1HB TYR 75 2.517 19.935 5.175 607 HD1 TYR 75 1HD TYR 75 1.683 21.407 3.360 608 HD2 TYR 75 2HD TYR 75 5.859 21.157 4.333 609 HE1 TYR 75 1HE TYR 75 2.252 22.481 1.198 610 HE2 TYR 75 2HE TYR 75 6.427 22.231 2.172 611 HH TYR 75 HH TYR 75 5.085 22.357 -0.227 612 H ARG 76 H ARG 76 0.924 20.826 7.434 613 HA ARG 76 HA ARG 76 -0.918 22.330 5.710 614 1HB ARG 76 2HB ARG 76 -1.265 19.989 6.519 615 2HB ARG 76 1HB ARG 76 -1.390 20.612 8.165 616 1HG ARG 76 2HG ARG 76 -3.424 21.669 7.757 617 2HG ARG 76 1HG ARG 76 -3.129 21.788 6.022 618 1HD ARG 76 2HD ARG 76 -3.693 19.527 5.642 619 2HD ARG 76 1HD ARG 76 -3.461 19.092 7.348 620 HE ARG 76 HE ARG 76 -5.439 20.792 7.707 621 1HH1 ARG 76 1HH1 ARG 76 -5.339 20.305 4.490 622 2HH1 ARG 76 2HH1 ARG 76 -6.847 19.468 4.341 623 1HH2 ARG 76 1HH2 ARG 76 -7.236 19.013 7.756 624 2HH2 ARG 76 2HH2 ARG 76 -7.921 18.735 6.191 625 H ALA 77 H ALA 77 0.755 22.994 8.641 626 HA ALA 77 HA ALA 77 -1.237 25.118 9.341 627 1HB ALA 77 1HB ALA 77 -1.250 23.532 11.093 628 2HB ALA 77 2HB ALA 77 -0.139 24.775 11.668 629 3HB ALA 77 3HB ALA 77 0.492 23.278 10.982 630 H LYS 78 H LYS 78 2.088 24.482 10.359 631 HA LYS 78 HA LYS 78 3.995 25.880 10.407 632 1HB LYS 78 2HB LYS 78 3.626 25.390 7.960 633 2HB LYS 78 1HB LYS 78 2.744 26.913 7.843 634 1HG LYS 78 2HG LYS 78 4.693 28.182 8.459 635 2HG LYS 78 1HG LYS 78 5.583 26.718 8.878 636 1HD LYS 78 2HD LYS 78 4.540 27.310 6.096 637 2HD LYS 78 1HD LYS 78 6.184 27.669 6.622 638 1HE LYS 78 2HE LYS 78 6.433 25.225 7.243 639 2HE LYS 78 1HE LYS 78 4.873 24.938 6.446 640 1HZ LYS 78 1HZ LYS 78 6.738 24.664 4.901 641 2HZ LYS 78 2HZ LYS 78 7.216 26.268 5.191 642 3HZ LYS 78 3HZ LYS 78 5.728 25.944 4.438 Start of MODEL 19 1 1H MET 1 1HT MET 1 -10.485 11.347 -6.191 2 2H MET 1 2HT MET 1 -11.867 12.290 -5.889 3 3H MET 1 3HT MET 1 -11.188 11.348 -4.647 4 HA MET 1 HA MET 1 -9.118 12.730 -4.843 5 1HB MET 1 2HB MET 1 -10.931 13.798 -6.937 6 2HB MET 1 1HB MET 1 -10.040 15.011 -6.015 7 1HG MET 1 2HG MET 1 -8.486 14.551 -7.669 8 2HG MET 1 1HG MET 1 -8.008 13.356 -6.463 9 1HE MET 1 1HE MET 1 -6.975 12.596 -9.296 10 2HE MET 1 2HE MET 1 -8.043 13.930 -9.724 11 3HE MET 1 3HE MET 1 -8.228 12.371 -10.525 12 H LYS 2 H LYS 2 -9.024 13.757 -2.884 13 HA LYS 2 HA LYS 2 -11.251 15.489 -1.979 14 1HB LYS 2 2HB LYS 2 -11.469 12.889 -1.425 15 2HB LYS 2 1HB LYS 2 -10.357 13.314 -0.123 16 1HG LYS 2 2HG LYS 2 -11.916 15.119 0.585 17 2HG LYS 2 1HG LYS 2 -13.043 14.612 -0.674 18 1HD LYS 2 2HD LYS 2 -12.780 12.245 0.453 19 2HD LYS 2 1HD LYS 2 -12.259 13.188 1.849 20 1HE LYS 2 2HE LYS 2 -14.433 14.608 1.322 21 2HE LYS 2 1HE LYS 2 -14.950 13.108 0.525 22 1HZ LYS 2 1HZ LYS 2 -15.535 13.033 2.857 23 2HZ LYS 2 2HZ LYS 2 -13.929 13.357 3.306 24 3HZ LYS 2 3HZ LYS 2 -14.321 11.892 2.539 25 H LYS 3 H LYS 3 -8.392 15.868 -2.642 26 HA LYS 3 HA LYS 3 -7.425 16.825 0.034 27 1HB LYS 3 2HB LYS 3 -6.350 14.821 -1.633 28 2HB LYS 3 1HB LYS 3 -5.321 16.227 -1.897 29 1HG LYS 3 2HG LYS 3 -4.311 15.204 -0.045 30 2HG LYS 3 1HG LYS 3 -5.340 16.421 0.709 31 1HD LYS 3 2HD LYS 3 -7.139 14.617 0.861 32 2HD LYS 3 1HD LYS 3 -5.882 13.460 0.424 33 1HE LYS 3 2HE LYS 3 -4.519 14.318 2.378 34 2HE LYS 3 1HE LYS 3 -5.944 15.257 2.869 35 1HZ LYS 3 1HZ LYS 3 -5.941 13.070 3.919 36 2HZ LYS 3 2HZ LYS 3 -5.887 12.322 2.394 37 3HZ LYS 3 3HZ LYS 3 -7.251 13.225 2.853 38 H ASP 4 H ASP 4 -6.452 18.888 0.009 39 HA ASP 4 HA ASP 4 -7.145 20.637 -2.232 40 1HB ASP 4 2HB ASP 4 -5.992 20.834 0.519 41 2HB ASP 4 1HB ASP 4 -5.698 22.181 -0.581 42 HA PRO 5 HA PRO 5 -3.263 20.652 -4.320 43 1HB PRO 5 2HB PRO 5 -2.783 23.296 -4.838 44 2HB PRO 5 1HB PRO 5 -4.029 22.357 -5.685 45 1HG PRO 5 2HG PRO 5 -4.314 24.286 -3.438 46 2HG PRO 5 1HG PRO 5 -5.356 24.030 -4.845 47 1HD PRO 5 2HD PRO 5 -5.924 23.070 -2.356 48 2HD PRO 5 1HD PRO 5 -6.487 22.303 -3.858 49 H ASN 6 H ASN 6 -3.541 22.829 -1.560 50 HA ASN 6 HA ASN 6 -0.660 23.213 -1.223 51 1HB ASN 6 2HB ASN 6 -3.101 23.712 0.511 52 2HB ASN 6 1HB ASN 6 -1.471 24.239 0.937 53 1HD2 ASN 6 1HD2 ASN 6 -4.185 24.829 -1.248 54 2HD2 ASN 6 2HD2 ASN 6 -3.568 26.261 -1.917 55 H ALA 7 H ALA 7 -3.127 21.021 0.025 56 HA ALA 7 HA ALA 7 -1.689 19.902 2.235 57 1HB ALA 7 1HB ALA 7 -3.381 18.222 2.138 58 2HB ALA 7 2HB ALA 7 -3.591 18.430 0.399 59 3HB ALA 7 3HB ALA 7 -4.151 19.680 1.511 60 HA PRO 8 HA PRO 8 1.235 17.379 0.176 61 1HB PRO 8 2HB PRO 8 1.595 15.372 1.977 62 2HB PRO 8 1HB PRO 8 2.283 16.999 2.119 63 1HG PRO 8 2HG PRO 8 0.117 15.777 3.629 64 2HG PRO 8 1HG PRO 8 1.101 17.200 3.942 65 1HD PRO 8 2HD PRO 8 -1.578 17.145 2.985 66 2HD PRO 8 1HD PRO 8 -0.555 18.554 3.321 67 H LYS 9 H LYS 9 1.654 14.987 -0.498 68 HA LYS 9 HA LYS 9 -0.619 14.013 -1.964 69 1HB LYS 9 2HB LYS 9 2.100 12.895 -1.246 70 2HB LYS 9 1HB LYS 9 0.980 12.043 -2.311 71 1HG LYS 9 2HG LYS 9 1.638 14.927 -2.847 72 2HG LYS 9 1HG LYS 9 2.759 13.664 -3.357 73 1HD LYS 9 2HD LYS 9 -0.187 13.582 -4.035 74 2HD LYS 9 1HD LYS 9 1.004 14.355 -5.082 75 1HE LYS 9 2HE LYS 9 2.286 12.191 -5.136 76 2HE LYS 9 1HE LYS 9 0.952 11.438 -4.238 77 1HZ LYS 9 1HZ LYS 9 -0.581 12.160 -5.950 78 2HZ LYS 9 2HZ LYS 9 0.647 11.211 -6.641 79 3HZ LYS 9 3HZ LYS 9 0.678 12.902 -6.811 80 H ARG 10 H ARG 10 -0.974 11.434 -1.732 81 HA ARG 10 HA ARG 10 -2.131 11.058 0.973 82 1HB ARG 10 2HB ARG 10 -2.349 9.494 -1.623 83 2HB ARG 10 1HB ARG 10 -3.323 9.210 -0.180 84 1HG ARG 10 2HG ARG 10 -4.051 11.652 -0.352 85 2HG ARG 10 1HG ARG 10 -3.314 11.660 -1.955 86 1HD ARG 10 2HD ARG 10 -5.197 9.419 -1.329 87 2HD ARG 10 1HD ARG 10 -5.892 11.023 -1.642 88 HE ARG 10 HE ARG 10 -4.276 10.948 -3.722 89 1HH1 ARG 10 1HH2 ARG 10 -3.442 8.146 -3.445 90 2HH1 ARG 10 2HH2 ARG 10 -4.616 7.288 -4.386 91 1HH2 ARG 10 1HH1 ARG 10 -6.880 9.913 -4.440 92 2HH2 ARG 10 2HH1 ARG 10 -6.562 8.289 -4.949 93 HA PRO 11 HA PRO 11 1.184 8.282 1.991 94 1HB PRO 11 2HB PRO 11 0.088 7.058 4.174 95 2HB PRO 11 1HB PRO 11 0.716 8.717 4.215 96 1HG PRO 11 2HG PRO 11 -2.085 7.757 4.086 97 2HG PRO 11 1HG PRO 11 -1.413 9.187 4.882 98 1HD PRO 11 2HD PRO 11 -2.762 9.198 2.467 99 2HD PRO 11 1HD PRO 11 -1.663 10.475 3.031 100 HA PRO 12 HA PRO 12 -0.179 4.534 0.006 101 1HB PRO 12 2HB PRO 12 1.994 2.949 0.512 102 2HB PRO 12 1HB PRO 12 2.003 4.232 -0.714 103 1HG PRO 12 2HG PRO 12 3.109 4.248 2.048 104 2HG PRO 12 1HG PRO 12 3.773 4.945 0.563 105 1HD PRO 12 2HD PRO 12 2.502 6.415 2.470 106 2HD PRO 12 1HD PRO 12 2.529 6.858 0.748 107 H SER 13 H SER 13 -0.054 1.985 0.752 108 HA SER 13 HA SER 13 -0.225 1.557 3.637 109 1HB SER 13 2HB SER 13 -2.669 1.158 3.629 110 2HB SER 13 1HB SER 13 -2.288 2.817 3.174 111 HG SER 13 HG SER 13 -3.735 1.161 1.827 112 H ALA 14 H ALA 14 1.218 0.214 1.516 113 HA ALA 14 HA ALA 14 1.752 -1.992 0.967 114 1HB ALA 14 1HB ALA 14 0.281 -2.230 3.292 115 2HB ALA 14 2HB ALA 14 1.070 -3.569 2.459 116 3HB ALA 14 3HB ALA 14 -0.636 -3.233 2.167 117 H PHE 15 H PHE 15 -1.844 -2.117 1.032 118 HA PHE 15 HA PHE 15 -2.079 -3.424 -1.484 119 1HB PHE 15 2HB PHE 15 -3.837 -3.266 0.252 120 2HB PHE 15 1HB PHE 15 -3.986 -1.536 -0.058 121 HD1 PHE 15 1HD PHE 15 -5.889 -1.000 -1.288 122 HD2 PHE 15 2HD PHE 15 -3.755 -4.614 -2.206 123 HE1 PHE 15 1HE PHE 15 -7.463 -1.457 -3.150 124 HE2 PHE 15 2HE PHE 15 -5.330 -5.072 -4.066 125 HZ PHE 15 HZ PHE 15 -7.184 -3.492 -4.540 126 H PHE 16 H PHE 16 -1.597 -0.028 -0.715 127 HA PHE 16 HA PHE 16 -2.480 1.009 -3.278 128 1HB PHE 16 2HB PHE 16 -2.279 2.228 -1.051 129 2HB PHE 16 1HB PHE 16 -0.532 2.222 -1.292 130 HD1 PHE 16 1HD PHE 16 0.515 3.796 -2.723 131 HD2 PHE 16 2HD PHE 16 -3.753 3.318 -2.819 132 HE1 PHE 16 1HE PHE 16 0.325 5.792 -4.183 133 HE2 PHE 16 2HE PHE 16 -3.944 5.315 -4.279 134 HZ PHE 16 HZ PHE 16 -1.905 6.551 -4.961 135 H LEU 17 H LEU 17 0.593 -0.185 -2.008 136 HA LEU 17 HA LEU 17 2.244 0.761 -4.204 137 1HB LEU 17 2HB LEU 17 2.431 -1.422 -2.114 138 2HB LEU 17 1HB LEU 17 3.712 -1.169 -3.299 139 HG LEU 17 HG LEU 17 3.540 1.338 -2.520 140 1HD1 LEU 17 1HD1 LEU 17 1.648 1.229 -1.079 141 2HD1 LEU 17 2HD1 LEU 17 3.043 1.333 -0.005 142 3HD1 LEU 17 3HD1 LEU 17 2.250 -0.220 -0.274 143 1HD2 LEU 17 1HD2 LEU 17 5.299 0.921 -0.909 144 2HD2 LEU 17 2HD2 LEU 17 5.468 -0.252 -2.216 145 3HD2 LEU 17 3HD2 LEU 17 4.752 -0.740 -0.679 146 H PHE 18 H PHE 18 1.399 -2.571 -3.405 147 HA PHE 18 HA PHE 18 1.753 -3.986 -5.715 148 1HB PHE 18 2HB PHE 18 0.824 -4.916 -3.652 149 2HB PHE 18 1HB PHE 18 -0.680 -4.030 -3.897 150 HD1 PHE 18 1HD PHE 18 -2.399 -4.881 -5.312 151 HD2 PHE 18 2HD PHE 18 1.483 -6.721 -5.299 152 HE1 PHE 18 1HE PHE 18 -3.288 -6.766 -6.654 153 HE2 PHE 18 2HE PHE 18 0.593 -8.607 -6.643 154 HZ PHE 18 HZ PHE 18 -1.795 -8.631 -7.319 155 H CYS 19 H CYS 19 -1.409 -2.295 -5.126 156 HA CYS 19 HA CYS 19 -2.401 -2.675 -7.767 157 1HB CYS 19 2HB CYS 19 -3.711 -2.042 -5.745 158 2HB CYS 19 1HB CYS 19 -2.942 -0.457 -5.769 159 HG CYS 19 HG CYS 19 -4.289 -1.042 -8.426 160 H SER 20 H SER 20 -0.649 0.071 -6.328 161 HA SER 20 HA SER 20 -0.708 1.855 -8.521 162 1HB SER 20 2HB SER 20 0.090 2.508 -6.341 163 2HB SER 20 1HB SER 20 1.377 1.308 -6.392 164 HG SER 20 HG SER 20 1.661 3.726 -7.067 165 H GLU 21 H GLU 21 1.354 -0.994 -8.010 166 HA GLU 21 HA GLU 21 2.989 -0.307 -10.377 167 1HB GLU 21 2HB GLU 21 4.304 -2.264 -9.660 168 2HB GLU 21 1HB GLU 21 4.019 -1.168 -8.310 169 1HG GLU 21 2HG GLU 21 2.484 -2.604 -7.294 170 2HG GLU 21 1HG GLU 21 2.110 -3.436 -8.799 171 H HIS 22 H HIS 22 0.305 -2.489 -9.553 172 HA HIS 22 HA HIS 22 0.651 -3.927 -12.139 173 1HB HIS 22 2HB HIS 22 -1.034 -4.325 -9.653 174 2HB HIS 22 1HB HIS 22 -1.180 -5.344 -11.084 175 HD1 HIS 22 1HD HIS 22 1.322 -6.341 -11.893 176 HD2 HIS 22 2HD HIS 22 0.815 -5.321 -7.883 177 HE1 HIS 22 1HE HIS 22 3.132 -7.561 -10.607 178 H ARG 23 H ARG 23 -0.554 -1.052 -11.572 179 HA ARG 23 HA ARG 23 -3.337 -1.376 -12.439 180 1HB ARG 23 2HB ARG 23 -2.581 0.336 -10.816 181 2HB ARG 23 1HB ARG 23 -1.601 1.084 -12.073 182 1HG ARG 23 2HG ARG 23 -3.664 1.410 -13.440 183 2HG ARG 23 1HG ARG 23 -4.613 0.769 -12.098 184 1HD ARG 23 2HD ARG 23 -2.739 3.124 -11.756 185 2HD ARG 23 1HD ARG 23 -4.449 3.321 -12.191 186 HE ARG 23 HE ARG 23 -3.905 1.578 -9.871 187 1HH1 ARG 23 1HH2 ARG 23 -3.303 4.720 -9.833 188 2HH1 ARG 23 2HH2 ARG 23 -4.693 5.235 -8.938 189 1HH2 ARG 23 1HH1 ARG 23 -6.353 2.208 -9.261 190 2HH2 ARG 23 2HH1 ARG 23 -6.420 3.813 -8.614 191 HA PRO 24 HA PRO 24 -1.603 0.534 -16.448 192 1HB PRO 24 2HB PRO 24 1.084 0.432 -16.929 193 2HB PRO 24 1HB PRO 24 0.298 1.803 -16.124 194 1HG PRO 24 2HG PRO 24 1.890 -0.411 -14.966 195 2HG PRO 24 1HG PRO 24 1.775 1.282 -14.467 196 1HD PRO 24 2HD PRO 24 0.505 -0.819 -13.226 197 2HD PRO 24 1HD PRO 24 0.008 0.880 -13.106 198 H LYS 25 H LYS 25 -0.664 -2.426 -15.020 199 HA LYS 25 HA LYS 25 0.174 -3.774 -17.493 200 1HB LYS 25 2HB LYS 25 0.964 -4.268 -15.130 201 2HB LYS 25 1HB LYS 25 -0.646 -4.912 -14.802 202 1HG LYS 25 2HG LYS 25 0.522 -6.837 -15.432 203 2HG LYS 25 1HG LYS 25 -0.220 -6.346 -16.955 204 1HD LYS 25 2HD LYS 25 1.819 -5.310 -17.705 205 2HD LYS 25 1HD LYS 25 2.567 -5.506 -16.119 206 1HE LYS 25 2HE LYS 25 2.473 -7.967 -16.371 207 2HE LYS 25 1HE LYS 25 1.734 -7.768 -17.974 208 1HZ LYS 25 1HZ LYS 25 4.133 -7.982 -18.172 209 2HZ LYS 25 2HZ LYS 25 4.362 -6.669 -17.117 210 3HZ LYS 25 3HZ LYS 25 3.643 -6.427 -18.637 211 H ILE 26 H ILE 26 -2.717 -3.513 -15.459 212 HA ILE 26 HA ILE 26 -4.284 -5.497 -16.886 213 HB ILE 26 HB ILE 26 -5.044 -3.152 -15.104 214 1HG1 ILE 26 2HG1 ILE 26 -3.518 -4.750 -14.014 215 2HG1 ILE 26 1HG1 ILE 26 -5.131 -4.863 -13.320 216 1HG2 ILE 26 1HG2 ILE 26 -6.617 -5.301 -16.417 217 2HG2 ILE 26 2HG2 ILE 26 -7.124 -3.698 -15.885 218 3HG2 ILE 26 3HG2 ILE 26 -6.982 -5.011 -14.716 219 1HD1 ILE 26 1HD1 ILE 26 -4.360 -7.116 -13.671 220 2HD1 ILE 26 2HD1 ILE 26 -3.861 -6.749 -15.322 221 3HD1 ILE 26 3HD1 ILE 26 -5.575 -6.790 -14.908 222 H LYS 27 H LYS 27 -3.407 -2.205 -17.557 223 HA LYS 27 HA LYS 27 -5.726 -1.504 -19.162 224 1HB LYS 27 2HB LYS 27 -2.933 -0.434 -18.741 225 2HB LYS 27 1HB LYS 27 -4.037 0.312 -19.900 226 1HG LYS 27 2HG LYS 27 -5.742 0.406 -17.995 227 2HG LYS 27 1HG LYS 27 -4.406 0.007 -16.915 228 1HD LYS 27 2HD LYS 27 -3.331 2.034 -17.269 229 2HD LYS 27 1HD LYS 27 -4.050 2.254 -18.864 230 1HE LYS 27 2HE LYS 27 -6.308 2.336 -17.410 231 2HE LYS 27 1HE LYS 27 -5.171 2.925 -16.181 232 1HZ LYS 27 1HZ LYS 27 -4.294 4.495 -17.808 233 2HZ LYS 27 2HZ LYS 27 -5.953 4.755 -17.550 234 3HZ LYS 27 3HZ LYS 27 -5.424 3.961 -18.955 235 H SER 28 H SER 28 -2.816 -3.340 -19.755 236 HA SER 28 HA SER 28 -2.721 -2.968 -22.640 237 1HB SER 28 2HB SER 28 -0.807 -3.663 -21.217 238 2HB SER 28 1HB SER 28 -1.651 -5.159 -20.827 239 HG SER 28 HG SER 28 -0.274 -5.560 -22.534 240 H GLU 29 H GLU 29 -3.625 -5.813 -20.661 241 HA GLU 29 HA GLU 29 -5.087 -7.018 -22.919 242 1HB GLU 29 2HB GLU 29 -4.473 -7.766 -20.052 243 2HB GLU 29 1HB GLU 29 -5.486 -8.774 -21.086 244 1HG GLU 29 2HG GLU 29 -3.456 -8.470 -22.778 245 2HG GLU 29 1HG GLU 29 -2.558 -8.199 -21.283 246 H HIS 30 H HIS 30 -5.849 -4.752 -20.504 247 HA HIS 30 HA HIS 30 -8.752 -5.105 -21.009 248 1HB HIS 30 2HB HIS 30 -7.808 -4.755 -18.159 249 2HB HIS 30 1HB HIS 30 -9.354 -5.351 -18.735 250 HD1 HIS 30 1HD HIS 30 -9.616 -7.850 -18.924 251 HD2 HIS 30 2HD HIS 30 -5.625 -6.706 -18.554 252 HE1 HIS 30 1HE HIS 30 -8.281 -9.987 -18.654 253 HA PRO 31 HA PRO 31 -7.133 -0.740 -20.922 254 1HB PRO 31 2HB PRO 31 -8.448 0.073 -23.189 255 2HB PRO 31 1HB PRO 31 -6.835 -0.667 -23.207 256 1HG PRO 31 2HG PRO 31 -9.488 -1.907 -23.764 257 2HG PRO 31 1HG PRO 31 -7.939 -2.141 -24.587 258 1HD PRO 31 2HD PRO 31 -8.912 -3.921 -22.793 259 2HD PRO 31 1HD PRO 31 -7.172 -3.636 -23.018 260 H GLY 32 H GLY 32 -10.438 -1.585 -22.071 261 1HA GLY 32 2HA GLY 32 -11.707 0.703 -20.914 262 2HA GLY 32 1HA GLY 32 -12.534 -0.781 -21.387 263 H LEU 33 H LEU 33 -10.496 -2.186 -19.468 264 HA LEU 33 HA LEU 33 -12.157 -2.710 -17.291 265 1HB LEU 33 2HB LEU 33 -9.728 -3.495 -18.177 266 2HB LEU 33 1HB LEU 33 -9.235 -2.545 -16.782 267 HG LEU 33 HG LEU 33 -9.572 -4.916 -16.174 268 1HD1 LEU 33 1HD1 LEU 33 -11.885 -3.451 -14.954 269 2HD1 LEU 33 2HD1 LEU 33 -10.248 -2.849 -14.697 270 3HD1 LEU 33 3HD1 LEU 33 -10.679 -4.480 -14.182 271 1HD2 LEU 33 1HD2 LEU 33 -11.482 -5.106 -17.969 272 2HD2 LEU 33 2HD2 LEU 33 -12.523 -4.580 -16.646 273 3HD2 LEU 33 3HD2 LEU 33 -11.584 -6.065 -16.492 274 H SER 34 H SER 34 -13.133 -1.038 -16.213 275 HA SER 34 HA SER 34 -11.949 1.457 -15.465 276 1HB SER 34 2HB SER 34 -13.890 1.209 -13.678 277 2HB SER 34 1HB SER 34 -14.283 1.384 -15.383 278 HG SER 34 HG SER 34 -14.952 -0.624 -15.425 279 H ILE 35 H ILE 35 -12.224 1.774 -12.753 280 HA ILE 35 HA ILE 35 -9.940 0.204 -11.699 281 HB ILE 35 HB ILE 35 -11.522 2.544 -10.583 282 1HG1 ILE 35 2HG1 ILE 35 -10.411 3.101 -12.717 283 2HG1 ILE 35 1HG1 ILE 35 -9.617 3.917 -11.373 284 1HG2 ILE 35 1HG2 ILE 35 -9.214 2.803 -9.349 285 2HG2 ILE 35 2HG2 ILE 35 -9.053 1.081 -9.695 286 3HG2 ILE 35 3HG2 ILE 35 -10.410 1.664 -8.731 287 1HD1 ILE 35 1HD1 ILE 35 -7.905 2.106 -11.323 288 2HD1 ILE 35 2HD1 ILE 35 -7.929 2.959 -12.865 289 3HD1 ILE 35 3HD1 ILE 35 -8.677 1.368 -12.726 290 H GLY 36 H GLY 36 -12.978 -0.698 -11.948 291 1HA GLY 36 2HA GLY 36 -13.493 -1.330 -9.096 292 2HA GLY 36 1HA GLY 36 -14.634 -1.559 -10.420 293 H ASP 37 H ASP 37 -13.397 -3.074 -12.228 294 HA ASP 37 HA ASP 37 -13.301 -5.700 -11.034 295 1HB ASP 37 2HB ASP 37 -13.071 -4.412 -13.683 296 2HB ASP 37 1HB ASP 37 -12.196 -5.937 -13.544 297 H THR 38 H THR 38 -10.758 -3.588 -12.427 298 HA THR 38 HA THR 38 -8.545 -5.330 -12.000 299 HB THR 38 HB THR 38 -8.915 -2.325 -12.191 300 HG1 THR 38 1HG THR 38 -8.128 -2.691 -14.236 301 1HG2 THR 38 1HG2 THR 38 -6.452 -2.161 -12.535 302 2HG2 THR 38 2HG2 THR 38 -6.295 -3.854 -12.069 303 3HG2 THR 38 3HG2 THR 38 -6.858 -2.667 -10.894 304 H ALA 39 H ALA 39 -10.044 -2.902 -9.865 305 HA ALA 39 HA ALA 39 -8.150 -3.202 -7.688 306 1HB ALA 39 1HB ALA 39 -9.577 -1.228 -7.991 307 2HB ALA 39 2HB ALA 39 -9.954 -1.987 -6.443 308 3HB ALA 39 3HB ALA 39 -11.025 -2.222 -7.825 309 H LYS 40 H LYS 40 -11.010 -4.933 -8.724 310 HA LYS 40 HA LYS 40 -11.404 -6.375 -6.199 311 1HB LYS 40 2HB LYS 40 -12.491 -6.458 -9.015 312 2HB LYS 40 1HB LYS 40 -12.888 -7.744 -7.875 313 1HG LYS 40 2HG LYS 40 -13.887 -6.186 -6.338 314 2HG LYS 40 1HG LYS 40 -13.288 -4.807 -7.261 315 1HD LYS 40 2HD LYS 40 -14.737 -5.322 -9.117 316 2HD LYS 40 1HD LYS 40 -15.205 -6.861 -8.392 317 1HE LYS 40 2HE LYS 40 -17.012 -5.374 -7.897 318 2HE LYS 40 1HE LYS 40 -16.064 -5.435 -6.399 319 1HZ LYS 40 1HZ LYS 40 -15.751 -3.416 -8.558 320 2HZ LYS 40 2HZ LYS 40 -14.837 -3.487 -7.128 321 3HZ LYS 40 3HZ LYS 40 -16.499 -3.141 -7.060 322 H LYS 41 H LYS 41 -9.905 -6.919 -9.351 323 HA LYS 41 HA LYS 41 -9.165 -9.693 -8.877 324 1HB LYS 41 2HB LYS 41 -9.422 -8.342 -11.078 325 2HB LYS 41 1HB LYS 41 -7.802 -7.734 -10.736 326 1HG LYS 41 2HG LYS 41 -6.874 -9.954 -10.771 327 2HG LYS 41 1HG LYS 41 -8.479 -10.683 -10.828 328 1HD LYS 41 2HD LYS 41 -8.853 -9.525 -13.030 329 2HD LYS 41 1HD LYS 41 -7.167 -9.009 -12.985 330 1HE LYS 41 2HE LYS 41 -6.455 -11.392 -12.860 331 2HE LYS 41 1HE LYS 41 -8.155 -11.885 -12.987 332 1HZ LYS 41 1HZ LYS 41 -7.095 -11.810 -15.172 333 2HZ LYS 41 2HZ LYS 41 -6.705 -10.172 -14.939 334 3HZ LYS 41 3HZ LYS 41 -8.330 -10.653 -15.054 335 H LEU 42 H LEU 42 -7.254 -6.660 -8.955 336 HA LEU 42 HA LEU 42 -4.755 -7.572 -8.111 337 1HB LEU 42 2HB LEU 42 -6.358 -5.089 -7.939 338 2HB LEU 42 1HB LEU 42 -4.989 -5.170 -6.836 339 HG LEU 42 HG LEU 42 -3.502 -5.716 -8.742 340 1HD1 LEU 42 1HD1 LEU 42 -5.435 -6.700 -10.123 341 2HD1 LEU 42 2HD1 LEU 42 -4.278 -5.696 -10.997 342 3HD1 LEU 42 3HD1 LEU 42 -5.844 -5.033 -10.530 343 1HD2 LEU 42 1HD2 LEU 42 -5.031 -3.270 -9.547 344 2HD2 LEU 42 2HD2 LEU 42 -3.288 -3.502 -9.406 345 3HD2 LEU 42 3HD2 LEU 42 -4.275 -3.325 -7.955 346 H GLY 43 H GLY 43 -7.245 -6.250 -5.874 347 1HA GLY 43 2HA GLY 43 -5.964 -6.864 -3.450 348 2HA GLY 43 1HA GLY 43 -7.720 -6.797 -3.631 349 H GLU 44 H GLU 44 -7.660 -8.989 -5.659 350 HA GLU 44 HA GLU 44 -7.900 -11.253 -3.847 351 1HB GLU 44 2HB GLU 44 -9.096 -10.661 -6.111 352 2HB GLU 44 1HB GLU 44 -7.682 -11.408 -6.853 353 1HG GLU 44 2HG GLU 44 -9.168 -12.833 -4.659 354 2HG GLU 44 1HG GLU 44 -9.750 -12.909 -6.323 355 H MET 45 H MET 45 -5.536 -10.129 -6.254 356 HA MET 45 HA MET 45 -3.773 -12.441 -5.943 357 1HB MET 45 2HB MET 45 -3.709 -9.754 -7.314 358 2HB MET 45 1HB MET 45 -2.260 -10.757 -7.252 359 1HG MET 45 2HG MET 45 -3.633 -12.646 -8.214 360 2HG MET 45 1HG MET 45 -4.942 -11.489 -8.456 361 1HE MET 45 1HE MET 45 -3.919 -11.785 -12.062 362 2HE MET 45 2HE MET 45 -5.223 -11.191 -11.037 363 3HE MET 45 3HE MET 45 -4.542 -12.790 -10.747 364 H TRP 46 H TRP 46 -3.816 -9.047 -4.821 365 HA TRP 46 HA TRP 46 -1.330 -8.863 -3.500 366 1HB TRP 46 2HB TRP 46 -2.848 -6.998 -3.781 367 2HB TRP 46 1HB TRP 46 -4.088 -7.779 -2.811 368 HD1 TRP 46 HD TRP 46 -4.195 -6.767 -0.475 369 HE1 TRP 46 1HE TRP 46 -2.495 -5.784 1.197 370 HE3 TRP 46 3HE TRP 46 0.078 -7.283 -3.187 371 HZ2 TRP 46 2HZ TRP 46 0.323 -5.287 1.352 372 HZ3 TRP 46 3HZ TRP 46 2.262 -6.552 -2.265 373 HH2 TRP 46 HH TRP 46 2.381 -5.559 -0.003 374 H SER 47 H SER 47 -4.412 -10.179 -2.216 375 HA SER 47 HA SER 47 -3.354 -10.901 0.373 376 1HB SER 47 2HB SER 47 -5.762 -10.562 -0.284 377 2HB SER 47 1HB SER 47 -5.681 -12.076 -1.181 378 HG SER 47 HG SER 47 -6.467 -12.155 1.074 379 H GLU 48 H GLU 48 -2.735 -12.224 -2.711 380 HA GLU 48 HA GLU 48 -2.118 -14.917 -1.608 381 1HB GLU 48 2HB GLU 48 -2.773 -13.781 -4.328 382 2HB GLU 48 1HB GLU 48 -2.035 -15.374 -4.158 383 1HG GLU 48 2HG GLU 48 -4.500 -14.652 -2.585 384 2HG GLU 48 1HG GLU 48 -4.629 -15.236 -4.244 385 H GLN 49 H GLN 49 -0.671 -11.948 -2.649 386 HA GLN 49 HA GLN 49 1.740 -12.868 -3.844 387 1HB GLN 49 2HB GLN 49 1.108 -10.485 -2.063 388 2HB GLN 49 1HB GLN 49 2.595 -10.647 -2.992 389 1HG GLN 49 2HG GLN 49 -0.204 -10.585 -4.148 390 2HG GLN 49 1HG GLN 49 0.951 -9.260 -4.193 391 1HE2 GLN 49 1HE2 GLN 49 -0.280 -11.003 -6.422 392 2HE2 GLN 49 2HE2 GLN 49 1.064 -11.542 -7.305 393 H SER 50 H SER 50 3.720 -13.459 -2.906 394 HA SER 50 HA SER 50 3.602 -14.431 -0.108 395 1HB SER 50 2HB SER 50 5.569 -15.698 -0.791 396 2HB SER 50 1HB SER 50 4.376 -15.818 -2.081 397 HG SER 50 HG SER 50 5.552 -14.496 -3.310 398 H ALA 51 H ALA 51 6.550 -14.192 0.178 399 HA ALA 51 HA ALA 51 6.636 -11.476 1.254 400 1HB ALA 51 1HB ALA 51 9.064 -12.308 1.717 401 2HB ALA 51 2HB ALA 51 8.493 -13.851 1.079 402 3HB ALA 51 3HB ALA 51 7.732 -13.153 2.509 403 H LYS 52 H LYS 52 7.173 -12.701 -1.874 404 HA LYS 52 HA LYS 52 9.463 -11.043 -2.608 405 1HB LYS 52 2HB LYS 52 8.381 -13.273 -3.600 406 2HB LYS 52 1HB LYS 52 7.473 -12.116 -4.574 407 1HG LYS 52 2HG LYS 52 9.518 -11.128 -5.417 408 2HG LYS 52 1HG LYS 52 10.493 -12.111 -4.324 409 1HD LYS 52 2HD LYS 52 10.637 -13.317 -6.325 410 2HD LYS 52 1HD LYS 52 9.307 -14.129 -5.498 411 1HE LYS 52 2HE LYS 52 7.668 -12.813 -6.769 412 2HE LYS 52 1HE LYS 52 8.982 -11.923 -7.566 413 1HZ LYS 52 1HZ LYS 52 8.191 -13.852 -8.874 414 2HZ LYS 52 2HZ LYS 52 8.688 -14.879 -7.616 415 3HZ LYS 52 3HZ LYS 52 9.834 -13.957 -8.466 416 H ASP 53 H ASP 53 5.928 -10.868 -3.049 417 HA ASP 53 HA ASP 53 6.233 -7.976 -3.802 418 1HB ASP 53 2HB ASP 53 4.807 -10.273 -4.985 419 2HB ASP 53 1HB ASP 53 3.826 -8.817 -4.834 420 H LYS 54 H LYS 54 6.074 -8.366 -1.184 421 HA LYS 54 HA LYS 54 3.519 -7.228 -0.399 422 1HB LYS 54 2HB LYS 54 3.527 -9.922 -0.742 423 2HB LYS 54 1HB LYS 54 3.993 -9.815 0.950 424 1HG LYS 54 2HG LYS 54 2.001 -8.159 1.170 425 2HG LYS 54 1HG LYS 54 1.486 -8.796 -0.388 426 1HD LYS 54 2HD LYS 54 0.373 -10.039 1.382 427 2HD LYS 54 1HD LYS 54 1.530 -11.093 0.570 428 1HE LYS 54 2HE LYS 54 3.106 -10.920 2.365 429 2HE LYS 54 1HE LYS 54 2.231 -9.557 3.090 430 1HZ LYS 54 1HZ LYS 54 1.288 -12.358 2.814 431 2HZ LYS 54 2HZ LYS 54 0.272 -11.069 3.255 432 3HZ LYS 54 3HZ LYS 54 1.575 -11.510 4.254 433 H GLN 55 H GLN 55 6.560 -8.775 0.601 434 HA GLN 55 HA GLN 55 6.510 -7.788 3.331 435 1HB GLN 55 2HB GLN 55 8.374 -9.156 1.461 436 2HB GLN 55 1HB GLN 55 9.116 -8.300 2.810 437 1HG GLN 55 2HG GLN 55 6.865 -10.308 3.106 438 2HG GLN 55 1HG GLN 55 8.572 -10.694 3.331 439 1HE2 GLN 55 1HE2 GLN 55 5.776 -9.332 4.862 440 2HE2 GLN 55 2HE2 GLN 55 6.540 -8.834 6.294 441 HA PRO 56 HA PRO 56 9.464 -4.409 1.683 442 1HB PRO 56 2HB PRO 56 9.762 -4.102 -1.018 443 2HB PRO 56 1HB PRO 56 10.801 -5.161 -0.044 444 1HG PRO 56 2HG PRO 56 8.492 -5.855 -1.788 445 2HG PRO 56 1HG PRO 56 10.021 -6.713 -1.543 446 1HD PRO 56 2HD PRO 56 7.673 -7.453 -0.388 447 2HD PRO 56 1HD PRO 56 9.266 -7.796 0.320 448 H TYR 57 H TYR 57 6.352 -5.126 0.477 449 HA TYR 57 HA TYR 57 5.784 -2.441 -0.592 450 1HB TYR 57 2HB TYR 57 4.294 -5.035 -0.175 451 2HB TYR 57 1HB TYR 57 3.447 -3.573 -0.681 452 HD1 TYR 57 1HD TYR 57 6.536 -5.532 -1.542 453 HD2 TYR 57 2HD TYR 57 3.254 -3.154 -2.961 454 HE1 TYR 57 1HE TYR 57 7.274 -5.907 -3.879 455 HE2 TYR 57 2HE TYR 57 3.992 -3.526 -5.298 456 HH TYR 57 HH TYR 57 6.570 -4.169 -6.330 457 H GLU 58 H GLU 58 5.144 -4.367 2.313 458 HA GLU 58 HA GLU 58 3.388 -2.335 3.503 459 1HB GLU 58 2HB GLU 58 3.441 -3.918 5.426 460 2HB GLU 58 1HB GLU 58 3.054 -4.723 3.908 461 1HG GLU 58 2HG GLU 58 4.940 -5.980 3.956 462 2HG GLU 58 1HG GLU 58 5.939 -4.616 4.453 463 H GLN 59 H GLN 59 6.816 -3.019 3.466 464 HA GLN 59 HA GLN 59 7.435 -1.581 5.941 465 1HB GLN 59 2HB GLN 59 9.041 -2.587 3.572 466 2HB GLN 59 1HB GLN 59 9.776 -1.841 4.990 467 1HG GLN 59 2HG GLN 59 8.625 -3.570 6.411 468 2HG GLN 59 1HG GLN 59 8.108 -4.370 4.925 469 1HE2 GLN 59 1HE2 GLN 59 9.777 -5.385 3.583 470 2HE2 GLN 59 2HE2 GLN 59 11.327 -5.699 4.199 471 H LYS 60 H LYS 60 8.534 -0.907 2.603 472 HA LYS 60 HA LYS 60 9.224 1.767 2.839 473 1HB LYS 60 2HB LYS 60 9.486 0.257 0.867 474 2HB LYS 60 1HB LYS 60 7.771 0.467 0.516 475 1HG LYS 60 2HG LYS 60 8.441 3.049 0.680 476 2HG LYS 60 1HG LYS 60 10.019 2.409 0.217 477 1HD LYS 60 2HD LYS 60 8.958 1.254 -1.712 478 2HD LYS 60 1HD LYS 60 7.411 1.977 -1.270 479 1HE LYS 60 2HE LYS 60 8.744 4.244 -1.379 480 2HE LYS 60 1HE LYS 60 9.864 3.310 -2.390 481 1HZ LYS 60 1HZ LYS 60 8.020 2.603 -3.757 482 2HZ LYS 60 2HZ LYS 60 8.066 4.301 -3.706 483 3HZ LYS 60 3HZ LYS 60 6.921 3.450 -2.783 484 H ALA 61 H ALA 61 5.940 0.481 2.801 485 HA ALA 61 HA ALA 61 4.738 3.143 2.341 486 1HB ALA 61 1HB ALA 61 2.777 1.929 2.041 487 2HB ALA 61 2HB ALA 61 3.222 0.724 3.250 488 3HB ALA 61 3HB ALA 61 3.962 0.683 1.649 489 H ALA 62 H ALA 62 5.288 0.799 4.941 490 HA ALA 62 HA ALA 62 3.730 2.012 7.003 491 1HB ALA 62 1HB ALA 62 6.293 0.390 6.969 492 2HB ALA 62 2HB ALA 62 4.655 -0.193 7.268 493 3HB ALA 62 3HB ALA 62 5.463 0.819 8.466 494 H LYS 63 H LYS 63 7.146 2.565 6.022 495 HA LYS 63 HA LYS 63 7.547 4.674 8.004 496 1HB LYS 63 2HB LYS 63 9.291 3.110 7.070 497 2HB LYS 63 1HB LYS 63 9.130 3.939 5.521 498 1HG LYS 63 2HG LYS 63 9.791 6.062 6.564 499 2HG LYS 63 1HG LYS 63 9.907 5.267 8.135 500 1HD LYS 63 2HD LYS 63 11.761 3.944 7.450 501 2HD LYS 63 1HD LYS 63 11.498 4.320 5.747 502 1HE LYS 63 2HE LYS 63 12.284 6.553 6.001 503 2HE LYS 63 1HE LYS 63 12.157 6.477 7.770 504 1HZ LYS 63 1HZ LYS 63 13.945 4.789 6.098 505 2HZ LYS 63 2HZ LYS 63 13.819 4.729 7.791 506 3HZ LYS 63 3HZ LYS 63 14.445 6.114 7.032 507 H LEU 64 H LEU 64 6.035 4.512 4.919 508 HA LEU 64 HA LEU 64 6.600 7.316 4.177 509 1HB LEU 64 2HB LEU 64 5.599 4.862 2.960 510 2HB LEU 64 1HB LEU 64 4.530 6.217 2.599 511 HG LEU 64 HG LEU 64 7.495 6.592 2.328 512 1HD1 LEU 64 1HD1 LEU 64 6.799 5.965 -0.214 513 2HD1 LEU 64 2HD1 LEU 64 5.761 4.844 0.667 514 3HD1 LEU 64 3HD1 LEU 64 7.508 4.800 0.904 515 1HD2 LEU 64 1HD2 LEU 64 5.672 8.407 2.111 516 2HD2 LEU 64 2HD2 LEU 64 5.242 7.615 0.595 517 3HD2 LEU 64 3HD2 LEU 64 6.855 8.298 0.806 518 H LYS 65 H LYS 65 4.049 5.321 5.569 519 HA LYS 65 HA LYS 65 1.973 7.347 5.552 520 1HB LYS 65 2HB LYS 65 1.570 4.912 5.686 521 2HB LYS 65 1HB LYS 65 2.413 4.849 7.233 522 1HG LYS 65 2HG LYS 65 0.730 6.181 8.304 523 2HG LYS 65 1HG LYS 65 -0.015 6.596 6.759 524 1HD LYS 65 2HD LYS 65 -0.290 3.998 6.504 525 2HD LYS 65 1HD LYS 65 -0.096 3.993 8.257 526 1HE LYS 65 2HE LYS 65 -2.078 5.834 6.896 527 2HE LYS 65 1HE LYS 65 -2.513 4.186 7.395 528 1HZ LYS 65 1HZ LYS 65 -2.938 5.755 9.185 529 2HZ LYS 65 2HZ LYS 65 -1.321 6.274 9.144 530 3HZ LYS 65 3HZ LYS 65 -1.695 4.686 9.619 531 H GLU 66 H GLU 66 4.230 6.123 8.020 532 HA GLU 66 HA GLU 66 3.473 7.729 10.218 533 1HB GLU 66 2HB GLU 66 6.100 6.571 9.269 534 2HB GLU 66 1HB GLU 66 5.954 7.390 10.824 535 1HG GLU 66 2HG GLU 66 4.056 5.178 10.056 536 2HG GLU 66 1HG GLU 66 5.623 4.818 10.779 537 H LYS 67 H LYS 67 5.985 8.460 7.747 538 HA LYS 67 HA LYS 67 6.702 11.026 8.762 539 1HB LYS 67 2HB LYS 67 7.644 11.341 6.491 540 2HB LYS 67 1HB LYS 67 8.002 9.735 7.120 541 1HG LYS 67 2HG LYS 67 6.584 8.683 5.633 542 2HG LYS 67 1HG LYS 67 5.504 10.071 5.515 543 1HD LYS 67 2HD LYS 67 8.303 10.342 4.489 544 2HD LYS 67 1HD LYS 67 7.120 9.473 3.512 545 1HE LYS 67 2HE LYS 67 5.663 11.393 3.416 546 2HE LYS 67 1HE LYS 67 6.636 12.257 4.625 547 1HZ LYS 67 1HZ LYS 67 7.533 11.373 1.932 548 2HZ LYS 67 2HZ LYS 67 8.553 12.047 3.112 549 3HZ LYS 67 3HZ LYS 67 7.298 12.974 2.440 550 H TYR 68 H TYR 68 3.879 10.007 6.975 551 HA TYR 68 HA TYR 68 3.128 12.541 5.820 552 1HB TYR 68 2HB TYR 68 2.244 10.182 5.351 553 2HB TYR 68 1HB TYR 68 1.299 10.344 6.826 554 HD1 TYR 68 1HD TYR 68 2.137 12.705 4.020 555 HD2 TYR 68 2HD TYR 68 -0.932 10.775 6.325 556 HE1 TYR 68 1HE TYR 68 0.406 13.967 2.774 557 HE2 TYR 68 2HE TYR 68 -2.663 12.039 5.079 558 HH TYR 68 HH TYR 68 -2.560 13.209 2.473 559 H GLU 69 H GLU 69 2.592 10.991 8.930 560 HA GLU 69 HA GLU 69 0.696 12.750 10.097 561 1HB GLU 69 2HB GLU 69 3.045 11.283 11.352 562 2HB GLU 69 1HB GLU 69 1.627 11.870 12.221 563 1HG GLU 69 2HG GLU 69 0.310 10.449 10.427 564 2HG GLU 69 1HG GLU 69 1.846 9.594 10.272 565 H LYS 70 H LYS 70 4.231 13.010 9.847 566 HA LYS 70 HA LYS 70 4.386 15.494 11.397 567 1HB LYS 70 2HB LYS 70 6.170 13.643 9.887 568 2HB LYS 70 1HB LYS 70 6.730 15.309 10.044 569 1HG LYS 70 2HG LYS 70 7.590 14.402 11.997 570 2HG LYS 70 1HG LYS 70 6.020 14.960 12.575 571 1HD LYS 70 2HD LYS 70 6.095 12.231 11.395 572 2HD LYS 70 1HD LYS 70 6.897 12.433 12.953 573 1HE LYS 70 2HE LYS 70 4.193 13.670 12.668 574 2HE LYS 70 1HE LYS 70 4.271 11.902 12.800 575 1HZ LYS 70 1HZ LYS 70 5.605 13.837 14.620 576 2HZ LYS 70 2HZ LYS 70 5.711 12.145 14.729 577 3HZ LYS 70 3HZ LYS 70 4.225 12.925 14.994 578 H ASP 71 H ASP 71 4.252 14.506 8.025 579 HA ASP 71 HA ASP 71 4.731 17.087 6.806 580 1HB ASP 71 2HB ASP 71 3.778 14.382 6.095 581 2HB ASP 71 1HB ASP 71 3.131 15.658 5.071 582 H ILE 72 H ILE 72 1.734 15.275 7.468 583 HA ILE 72 HA ILE 72 -0.062 17.420 6.773 584 HB ILE 72 HB ILE 72 -0.214 14.831 8.343 585 1HG1 ILE 72 2HG1 ILE 72 -0.010 14.736 5.880 586 2HG1 ILE 72 1HG1 ILE 72 -1.562 14.110 6.425 587 1HG2 ILE 72 1HG2 ILE 72 -1.916 16.061 9.446 588 2HG2 ILE 72 2HG2 ILE 72 -2.772 15.187 8.176 589 3HG2 ILE 72 3HG2 ILE 72 -2.391 16.896 7.967 590 1HD1 ILE 72 1HD1 ILE 72 -1.004 16.814 5.180 591 2HD1 ILE 72 2HD1 ILE 72 -2.524 16.428 5.983 592 3HD1 ILE 72 3HD1 ILE 72 -2.031 15.529 4.550 593 H ALA 73 H ALA 73 1.536 16.404 9.770 594 HA ALA 73 HA ALA 73 0.177 17.851 11.739 595 1HB ALA 73 1HB ALA 73 2.979 16.969 11.238 596 2HB ALA 73 2HB ALA 73 1.898 16.565 12.572 597 3HB ALA 73 3HB ALA 73 2.733 18.119 12.554 598 H ALA 74 H ALA 74 2.394 19.109 9.295 599 HA ALA 74 HA ALA 74 2.502 21.804 10.483 600 1HB ALA 74 1HB ALA 74 4.412 20.909 9.262 601 2HB ALA 74 2HB ALA 74 3.743 22.243 8.323 602 3HB ALA 74 3HB ALA 74 3.403 20.578 7.854 603 H TYR 75 H TYR 75 1.296 20.441 7.416 604 HA TYR 75 HA TYR 75 -0.232 22.691 6.559 605 1HB TYR 75 2HB TYR 75 0.467 20.718 5.209 606 2HB TYR 75 1HB TYR 75 -0.678 19.719 6.102 607 HD1 TYR 75 1HD TYR 75 -2.791 19.402 5.170 608 HD2 TYR 75 2HD TYR 75 -0.600 22.976 4.230 609 HE1 TYR 75 1HE TYR 75 -4.602 20.107 3.628 610 HE2 TYR 75 2HE TYR 75 -2.411 23.680 2.688 611 HH TYR 75 HH TYR 75 -4.468 21.923 1.347 612 H ARG 76 H ARG 76 -0.868 20.357 9.038 613 HA ARG 76 HA ARG 76 -3.766 20.522 9.086 614 1HB ARG 76 2HB ARG 76 -2.388 18.696 10.072 615 2HB ARG 76 1HB ARG 76 -1.769 19.836 11.269 616 1HG ARG 76 2HG ARG 76 -4.065 20.230 12.086 617 2HG ARG 76 1HG ARG 76 -4.685 19.089 10.893 618 1HD ARG 76 2HD ARG 76 -3.602 17.237 11.948 619 2HD ARG 76 1HD ARG 76 -2.601 18.305 12.952 620 HE ARG 76 HE ARG 76 -4.730 19.045 14.066 621 1HH1 ARG 76 1HH1 ARG 76 -4.124 15.998 14.362 622 2HH1 ARG 76 2HH1 ARG 76 -5.725 15.361 14.199 623 1HH2 ARG 76 1HH2 ARG 76 -7.050 18.297 12.916 624 2HH2 ARG 76 2HH2 ARG 76 -7.382 16.662 13.379 625 H ALA 77 H ALA 77 -1.322 21.898 11.326 626 HA ALA 77 HA ALA 77 -3.278 24.074 11.987 627 1HB ALA 77 1HB ALA 77 -2.599 22.496 13.793 628 2HB ALA 77 2HB ALA 77 -2.081 24.147 14.134 629 3HB ALA 77 3HB ALA 77 -0.917 22.963 13.540 630 H LYS 78 H LYS 78 -2.601 25.492 10.263 631 HA LYS 78 HA LYS 78 0.163 26.612 10.604 632 1HB LYS 78 2HB LYS 78 -0.215 25.181 8.565 633 2HB LYS 78 1HB LYS 78 -1.447 26.332 8.048 634 1HG LYS 78 2HG LYS 78 0.360 27.241 6.947 635 2HG LYS 78 1HG LYS 78 0.544 28.067 8.494 636 1HD LYS 78 2HD LYS 78 1.801 25.385 8.321 637 2HD LYS 78 1HD LYS 78 2.535 26.638 7.321 638 1HE LYS 78 2HE LYS 78 3.351 27.771 9.132 639 2HE LYS 78 1HE LYS 78 1.882 27.484 10.086 640 1HZ LYS 78 1HZ LYS 78 2.533 25.237 10.465 641 2HZ LYS 78 2HZ LYS 78 3.856 26.219 10.878 642 3HZ LYS 78 3HZ LYS 78 3.852 25.368 9.406 Start of MODEL 20 1 1H MET 1 1HT MET 1 -8.938 20.471 6.583 2 2H MET 1 2HT MET 1 -9.002 19.309 7.821 3 3H MET 1 3HT MET 1 -9.840 19.051 6.366 4 HA MET 1 HA MET 1 -6.902 19.023 6.793 5 1HB MET 1 2HB MET 1 -9.137 17.134 6.485 6 2HB MET 1 1HB MET 1 -7.785 16.789 5.407 7 1HG MET 1 2HG MET 1 -7.252 15.604 7.382 8 2HG MET 1 1HG MET 1 -6.294 17.079 7.502 9 1HE MET 1 1HE MET 1 -6.923 17.393 11.099 10 2HE MET 1 2HE MET 1 -6.023 18.022 9.721 11 3HE MET 1 3HE MET 1 -6.081 16.284 10.007 12 H LYS 2 H LYS 2 -9.384 18.495 4.258 13 HA LYS 2 HA LYS 2 -9.335 18.944 1.943 14 1HB LYS 2 2HB LYS 2 -8.993 21.223 3.277 15 2HB LYS 2 1HB LYS 2 -7.409 21.169 2.503 16 1HG LYS 2 2HG LYS 2 -8.302 21.321 0.355 17 2HG LYS 2 1HG LYS 2 -9.869 20.682 0.852 18 1HD LYS 2 2HD LYS 2 -10.291 22.768 2.134 19 2HD LYS 2 1HD LYS 2 -8.751 23.411 1.560 20 1HE LYS 2 2HE LYS 2 -9.512 23.378 -0.741 21 2HE LYS 2 1HE LYS 2 -10.995 22.515 -0.284 22 1HZ LYS 2 1HZ LYS 2 -11.572 24.364 1.174 23 2HZ LYS 2 2HZ LYS 2 -11.407 24.893 -0.432 24 3HZ LYS 2 3HZ LYS 2 -10.176 25.199 0.696 25 H LYS 3 H LYS 3 -7.638 19.458 0.067 26 HA LYS 3 HA LYS 3 -4.952 18.326 0.613 27 1HB LYS 3 2HB LYS 3 -6.774 16.524 0.164 28 2HB LYS 3 1HB LYS 3 -6.722 17.099 -1.503 29 1HG LYS 3 2HG LYS 3 -4.369 16.583 -1.681 30 2HG LYS 3 1HG LYS 3 -4.271 16.211 0.040 31 1HD LYS 3 2HD LYS 3 -4.417 14.103 -1.088 32 2HD LYS 3 1HD LYS 3 -6.007 14.393 -0.382 33 1HE LYS 3 2HE LYS 3 -6.625 15.458 -2.661 34 2HE LYS 3 1HE LYS 3 -5.172 14.643 -3.276 35 1HZ LYS 3 1HZ LYS 3 -5.984 12.565 -2.343 36 2HZ LYS 3 2HZ LYS 3 -7.110 13.198 -3.446 37 3HZ LYS 3 3HZ LYS 3 -7.382 13.338 -1.775 38 H ASP 4 H ASP 4 -3.708 19.883 -0.358 39 HA ASP 4 HA ASP 4 -4.652 21.184 -2.865 40 1HB ASP 4 2HB ASP 4 -2.857 21.782 -0.582 41 2HB ASP 4 1HB ASP 4 -2.319 22.406 -2.140 42 HA PRO 5 HA PRO 5 -1.703 19.124 -5.411 43 1HB PRO 5 2HB PRO 5 -0.529 21.112 -6.881 44 2HB PRO 5 1HB PRO 5 -2.198 20.569 -7.149 45 1HG PRO 5 2HG PRO 5 -1.198 22.963 -5.689 46 2HG PRO 5 1HG PRO 5 -2.606 22.794 -6.750 47 1HD PRO 5 2HD PRO 5 -2.776 22.831 -4.033 48 2HD PRO 5 1HD PRO 5 -3.936 21.979 -5.074 49 H ASN 6 H ASN 6 -0.322 22.056 -3.911 50 HA ASN 6 HA ASN 6 2.431 21.119 -4.017 51 1HB ASN 6 2HB ASN 6 0.904 23.311 -2.603 52 2HB ASN 6 1HB ASN 6 2.627 23.068 -2.315 53 1HD2 ASN 6 1HD2 ASN 6 0.249 24.091 -4.721 54 2HD2 ASN 6 2HD2 ASN 6 1.374 24.679 -5.847 55 H ALA 7 H ALA 7 -0.220 20.861 -1.716 56 HA ALA 7 HA ALA 7 1.400 19.943 0.530 57 1HB ALA 7 1HB ALA 7 -0.713 21.034 0.913 58 2HB ALA 7 2HB ALA 7 -0.921 19.348 1.388 59 3HB ALA 7 3HB ALA 7 -1.549 19.912 -0.161 60 HA PRO 8 HA PRO 8 1.556 15.704 -0.551 61 1HB PRO 8 2HB PRO 8 1.627 14.498 1.882 62 2HB PRO 8 1HB PRO 8 2.999 15.336 1.139 63 1HG PRO 8 2HG PRO 8 1.314 16.159 3.367 64 2HG PRO 8 1HG PRO 8 2.915 16.678 2.858 65 1HD PRO 8 2HD PRO 8 0.478 18.074 2.477 66 2HD PRO 8 1HD PRO 8 2.101 18.531 1.920 67 H LYS 9 H LYS 9 0.137 13.964 -0.972 68 HA LYS 9 HA LYS 9 -2.650 14.285 0.001 69 1HB LYS 9 2HB LYS 9 -1.318 12.560 -2.112 70 2HB LYS 9 1HB LYS 9 -3.057 12.598 -1.815 71 1HG LYS 9 2HG LYS 9 -3.284 14.778 -2.610 72 2HG LYS 9 1HG LYS 9 -1.592 15.173 -2.303 73 1HD LYS 9 2HD LYS 9 -1.774 14.945 -4.672 74 2HD LYS 9 1HD LYS 9 -1.011 13.458 -4.109 75 1HE LYS 9 2HE LYS 9 -3.205 12.311 -4.145 76 2HE LYS 9 1HE LYS 9 -3.968 13.803 -4.732 77 1HZ LYS 9 1HZ LYS 9 -1.743 12.344 -6.060 78 2HZ LYS 9 2HZ LYS 9 -2.420 13.805 -6.601 79 3HZ LYS 9 3HZ LYS 9 -3.354 12.386 -6.589 80 H ARG 10 H ARG 10 -3.776 12.012 0.341 81 HA ARG 10 HA ARG 10 -2.893 10.813 2.712 82 1HB ARG 10 2HB ARG 10 -4.555 9.805 0.393 83 2HB ARG 10 1HB ARG 10 -4.394 8.899 1.898 84 1HG ARG 10 2HG ARG 10 -5.026 11.256 2.968 85 2HG ARG 10 1HG ARG 10 -5.776 11.501 1.390 86 1HD ARG 10 2HD ARG 10 -7.395 9.909 1.765 87 2HD ARG 10 1HD ARG 10 -6.302 8.880 2.713 88 HE ARG 10 HE ARG 10 -6.487 10.873 4.438 89 1HH1 ARG 10 1HH1 ARG 10 -8.666 12.278 3.009 90 2HH1 ARG 10 2HH1 ARG 10 -10.092 11.610 3.731 91 1HH2 ARG 10 1HH2 ARG 10 -8.443 8.878 5.089 92 2HH2 ARG 10 2HH2 ARG 10 -9.965 9.685 4.909 93 HA PRO 11 HA PRO 11 0.541 8.361 1.299 94 1HB PRO 11 2HB PRO 11 0.886 6.790 3.506 95 2HB PRO 11 1HB PRO 11 1.377 8.493 3.449 96 1HG PRO 11 2HG PRO 11 -1.002 7.252 4.713 97 2HG PRO 11 1HG PRO 11 -0.029 8.633 5.242 98 1HD PRO 11 2HD PRO 11 -2.483 8.825 4.005 99 2HD PRO 11 1HD PRO 11 -1.261 10.114 4.035 100 HA PRO 12 HA PRO 12 -1.066 4.487 -0.080 101 1HB PRO 12 2HB PRO 12 1.051 2.765 0.143 102 2HB PRO 12 1HB PRO 12 0.970 4.037 -1.089 103 1HG PRO 12 2HG PRO 12 2.453 3.984 1.488 104 2HG PRO 12 1HG PRO 12 2.941 4.637 -0.084 105 1HD PRO 12 2HD PRO 12 2.047 6.180 1.978 106 2HD PRO 12 1HD PRO 12 1.875 6.629 0.267 107 H SER 13 H SER 13 -0.549 1.847 0.767 108 HA SER 13 HA SER 13 -0.634 1.559 3.655 109 1HB SER 13 2HB SER 13 -2.791 2.644 3.327 110 2HB SER 13 1HB SER 13 -3.211 1.496 2.060 111 HG SER 13 HG SER 13 -4.145 0.813 3.970 112 H ALA 14 H ALA 14 0.857 0.163 1.688 113 HA ALA 14 HA ALA 14 1.478 -2.047 1.233 114 1HB ALA 14 1HB ALA 14 -0.918 -3.322 2.384 115 2HB ALA 14 2HB ALA 14 -0.073 -2.263 3.512 116 3HB ALA 14 3HB ALA 14 0.785 -3.601 2.748 117 H PHE 15 H PHE 15 -2.113 -2.257 1.187 118 HA PHE 15 HA PHE 15 -2.265 -3.649 -1.282 119 1HB PHE 15 2HB PHE 15 -4.062 -3.349 0.439 120 2HB PHE 15 1HB PHE 15 -4.239 -1.675 -0.085 121 HD1 PHE 15 1HD PHE 15 -4.754 -1.250 -2.582 122 HD2 PHE 15 2HD PHE 15 -5.202 -5.078 -0.685 123 HE1 PHE 15 1HE PHE 15 -6.246 -1.986 -4.421 124 HE2 PHE 15 2HE PHE 15 -6.695 -5.812 -2.523 125 HZ PHE 15 HZ PHE 15 -7.214 -4.268 -4.395 126 H PHE 16 H PHE 16 -1.808 -0.229 -0.628 127 HA PHE 16 HA PHE 16 -2.593 0.710 -3.262 128 1HB PHE 16 2HB PHE 16 -2.439 1.965 -1.008 129 2HB PHE 16 1HB PHE 16 -0.705 2.057 -1.317 130 HD1 PHE 16 1HD PHE 16 -4.006 3.305 -2.247 131 HD2 PHE 16 2HD PHE 16 0.149 3.252 -3.333 132 HE1 PHE 16 1HE PHE 16 -4.375 5.241 -3.752 133 HE2 PHE 16 2HE PHE 16 -0.219 5.187 -4.840 134 HZ PHE 16 HZ PHE 16 -2.481 6.183 -5.048 135 H LEU 17 H LEU 17 0.444 -0.396 -1.809 136 HA LEU 17 HA LEU 17 2.206 0.504 -3.914 137 1HB LEU 17 2HB LEU 17 2.239 -1.657 -1.800 138 2HB LEU 17 1HB LEU 17 3.551 -1.543 -2.968 139 HG LEU 17 HG LEU 17 4.114 -0.322 -0.909 140 1HD1 LEU 17 1HD1 LEU 17 3.513 1.747 -3.018 141 2HD1 LEU 17 2HD1 LEU 17 4.752 0.514 -3.262 142 3HD1 LEU 17 3HD1 LEU 17 4.896 1.659 -1.927 143 1HD2 LEU 17 1HD2 LEU 17 2.831 1.583 -0.164 144 2HD2 LEU 17 2HD2 LEU 17 1.724 0.219 -0.317 145 3HD2 LEU 17 3HD2 LEU 17 1.761 1.471 -1.558 146 H PHE 18 H PHE 18 1.425 -2.873 -3.254 147 HA PHE 18 HA PHE 18 1.849 -4.189 -5.596 148 1HB PHE 18 2HB PHE 18 0.931 -5.240 -3.612 149 2HB PHE 18 1HB PHE 18 -0.584 -4.359 -3.790 150 HD1 PHE 18 1HD PHE 18 -2.293 -5.102 -5.298 151 HD2 PHE 18 2HD PHE 18 1.553 -7.015 -5.272 152 HE1 PHE 18 1HE PHE 18 -3.192 -6.926 -6.715 153 HE2 PHE 18 2HE PHE 18 0.653 -8.841 -6.691 154 HZ PHE 18 HZ PHE 18 -1.722 -8.797 -7.413 155 H CYS 19 H CYS 19 -1.354 -2.564 -5.032 156 HA CYS 19 HA CYS 19 -2.294 -2.942 -7.697 157 1HB CYS 19 2HB CYS 19 -3.669 -2.388 -5.704 158 2HB CYS 19 1HB CYS 19 -2.936 -0.787 -5.658 159 HG CYS 19 HG CYS 19 -5.334 -1.187 -7.139 160 H SER 20 H SER 20 -0.654 -0.149 -6.181 161 HA SER 20 HA SER 20 -0.725 1.673 -8.323 162 1HB SER 20 2HB SER 20 0.089 2.265 -6.129 163 2HB SER 20 1HB SER 20 1.395 1.091 -6.238 164 HG SER 20 HG SER 20 1.020 3.415 -7.829 165 H GLU 21 H GLU 21 1.347 -1.187 -7.946 166 HA GLU 21 HA GLU 21 2.955 -0.388 -10.300 167 1HB GLU 21 2HB GLU 21 4.315 -2.332 -9.686 168 2HB GLU 21 1HB GLU 21 4.008 -1.337 -8.267 169 1HG GLU 21 2HG GLU 21 2.619 -2.906 -7.295 170 2HG GLU 21 1HG GLU 21 2.094 -3.562 -8.840 171 H HIS 22 H HIS 22 0.278 -2.590 -9.529 172 HA HIS 22 HA HIS 22 0.567 -3.904 -12.188 173 1HB HIS 22 2HB HIS 22 -1.031 -4.443 -9.670 174 2HB HIS 22 1HB HIS 22 -1.228 -5.383 -11.148 175 HD1 HIS 22 1HD HIS 22 1.205 -6.389 -12.084 176 HD2 HIS 22 2HD HIS 22 0.906 -5.490 -8.025 177 HE1 HIS 22 1HE HIS 22 3.051 -7.678 -10.926 178 H ARG 23 H ARG 23 -0.665 -1.071 -11.379 179 HA ARG 23 HA ARG 23 -3.468 -1.382 -12.166 180 1HB ARG 23 2HB ARG 23 -2.400 0.291 -10.519 181 2HB ARG 23 1HB ARG 23 -1.905 1.189 -11.950 182 1HG ARG 23 2HG ARG 23 -4.517 0.718 -12.551 183 2HG ARG 23 1HG ARG 23 -4.605 0.821 -10.793 184 1HD ARG 23 2HD ARG 23 -3.249 2.909 -12.535 185 2HD ARG 23 1HD ARG 23 -4.905 3.052 -11.914 186 HE ARG 23 HE ARG 23 -2.704 2.522 -9.981 187 1HH1 ARG 23 1HH1 ARG 23 -5.484 3.176 -9.088 188 2HH1 ARG 23 2HH1 ARG 23 -5.363 4.864 -8.720 189 1HH2 ARG 23 1HH2 ARG 23 -2.395 5.300 -10.460 190 2HH2 ARG 23 2HH2 ARG 23 -3.614 6.067 -9.498 191 HA PRO 24 HA PRO 24 -1.923 0.743 -16.142 192 1HB PRO 24 2HB PRO 24 0.747 0.736 -16.720 193 2HB PRO 24 1HB PRO 24 -0.046 2.044 -15.821 194 1HG PRO 24 2HG PRO 24 1.646 -0.176 -14.830 195 2HG PRO 24 1HG PRO 24 1.499 1.485 -14.242 196 1HD PRO 24 2HD PRO 24 0.331 -0.719 -13.072 197 2HD PRO 24 1HD PRO 24 -0.202 0.958 -12.840 198 H LYS 25 H LYS 25 -0.891 -2.263 -14.904 199 HA LYS 25 HA LYS 25 -0.130 -3.442 -17.501 200 1HB LYS 25 2HB LYS 25 0.893 -3.973 -15.240 201 2HB LYS 25 1HB LYS 25 -0.634 -4.745 -14.809 202 1HG LYS 25 2HG LYS 25 -0.394 -6.413 -16.476 203 2HG LYS 25 1HG LYS 25 0.866 -5.506 -17.315 204 1HD LYS 25 2HD LYS 25 2.413 -5.858 -15.464 205 2HD LYS 25 1HD LYS 25 1.153 -6.660 -14.526 206 1HE LYS 25 2HE LYS 25 1.144 -8.560 -15.929 207 2HE LYS 25 1HE LYS 25 1.947 -7.693 -17.254 208 1HZ LYS 25 1HZ LYS 25 3.904 -7.438 -15.868 209 2HZ LYS 25 2HZ LYS 25 3.519 -9.085 -16.032 210 3HZ LYS 25 3HZ LYS 25 3.146 -8.262 -14.593 211 H ILE 26 H ILE 26 -2.835 -3.556 -15.191 212 HA ILE 26 HA ILE 26 -4.358 -5.564 -16.629 213 HB ILE 26 HB ILE 26 -5.144 -3.444 -14.601 214 1HG1 ILE 26 2HG1 ILE 26 -3.369 -4.973 -13.813 215 2HG1 ILE 26 1HG1 ILE 26 -4.880 -5.270 -12.959 216 1HG2 ILE 26 1HG2 ILE 26 -6.604 -5.756 -15.831 217 2HG2 ILE 26 2HG2 ILE 26 -7.207 -4.156 -15.396 218 3HG2 ILE 26 3HG2 ILE 26 -6.915 -5.360 -14.140 219 1HD1 ILE 26 1HD1 ILE 26 -5.351 -7.123 -14.612 220 2HD1 ILE 26 2HD1 ILE 26 -3.956 -7.417 -13.574 221 3HD1 ILE 26 3HD1 ILE 26 -3.719 -6.894 -15.242 222 H LYS 27 H LYS 27 -3.918 -2.127 -17.019 223 HA LYS 27 HA LYS 27 -6.399 -1.643 -18.498 224 1HB LYS 27 2HB LYS 27 -3.824 -0.160 -17.950 225 2HB LYS 27 1HB LYS 27 -5.055 0.507 -19.023 226 1HG LYS 27 2HG LYS 27 -6.729 0.185 -17.156 227 2HG LYS 27 1HG LYS 27 -5.374 -0.222 -16.101 228 1HD LYS 27 2HD LYS 27 -4.454 1.940 -16.242 229 2HD LYS 27 1HD LYS 27 -5.364 2.331 -17.702 230 1HE LYS 27 2HE LYS 27 -7.439 2.466 -16.461 231 2HE LYS 27 1HE LYS 27 -6.654 1.846 -14.994 232 1HZ LYS 27 1HZ LYS 27 -5.147 3.736 -15.041 233 2HZ LYS 27 2HZ LYS 27 -6.759 4.268 -14.964 234 3HZ LYS 27 3HZ LYS 27 -5.908 4.339 -16.432 235 H SER 28 H SER 28 -3.255 -2.928 -19.274 236 HA SER 28 HA SER 28 -3.225 -2.192 -22.093 237 1HB SER 28 2HB SER 28 -1.805 -4.363 -20.514 238 2HB SER 28 1HB SER 28 -1.361 -3.833 -22.134 239 HG SER 28 HG SER 28 -0.604 -1.996 -21.338 240 H GLU 29 H GLU 29 -3.945 -5.209 -20.318 241 HA GLU 29 HA GLU 29 -4.976 -6.531 -22.743 242 1HB GLU 29 2HB GLU 29 -4.700 -7.238 -19.814 243 2HB GLU 29 1HB GLU 29 -5.445 -8.333 -20.978 244 1HG GLU 29 2HG GLU 29 -3.289 -7.955 -22.379 245 2HG GLU 29 1HG GLU 29 -2.597 -7.358 -20.871 246 H HIS 30 H HIS 30 -6.291 -4.172 -20.881 247 HA HIS 30 HA HIS 30 -9.054 -4.989 -21.522 248 1HB HIS 30 2HB HIS 30 -8.141 -4.321 -18.699 249 2HB HIS 30 1HB HIS 30 -9.802 -4.627 -19.194 250 HD1 HIS 30 1HD HIS 30 -10.516 -7.059 -19.576 251 HD2 HIS 30 2HD HIS 30 -6.469 -6.658 -18.685 252 HE1 HIS 30 1HE HIS 30 -9.655 -9.395 -19.101 253 HA PRO 31 HA PRO 31 -8.083 -0.515 -22.108 254 1HB PRO 31 2HB PRO 31 -9.624 -0.240 -24.365 255 2HB PRO 31 1HB PRO 31 -7.936 -0.791 -24.406 256 1HG PRO 31 2HG PRO 31 -10.452 -2.398 -24.501 257 2HG PRO 31 1HG PRO 31 -8.962 -2.581 -25.446 258 1HD PRO 31 2HD PRO 31 -9.509 -4.161 -23.324 259 2HD PRO 31 1HD PRO 31 -7.851 -3.668 -23.735 260 H GLY 32 H GLY 32 -9.311 0.880 -20.907 261 1HA GLY 32 2HA GLY 32 -11.339 2.086 -20.401 262 2HA GLY 32 1HA GLY 32 -12.270 0.765 -21.107 263 H LEU 33 H LEU 33 -10.381 -1.110 -19.482 264 HA LEU 33 HA LEU 33 -12.077 -1.848 -17.398 265 1HB LEU 33 2HB LEU 33 -9.872 -2.827 -18.426 266 2HB LEU 33 1HB LEU 33 -9.083 -1.964 -17.114 267 HG LEU 33 HG LEU 33 -9.564 -4.306 -16.500 268 1HD1 LEU 33 1HD1 LEU 33 -9.690 -2.338 -14.855 269 2HD1 LEU 33 2HD1 LEU 33 -10.445 -3.851 -14.358 270 3HD1 LEU 33 3HD1 LEU 33 -11.440 -2.524 -14.952 271 1HD2 LEU 33 1HD2 LEU 33 -12.504 -3.672 -16.503 272 2HD2 LEU 33 2HD2 LEU 33 -11.706 -5.245 -16.527 273 3HD2 LEU 33 3HD2 LEU 33 -11.734 -4.249 -17.982 274 H SER 34 H SER 34 -12.893 -0.291 -16.023 275 HA SER 34 HA SER 34 -11.568 1.975 -14.939 276 1HB SER 34 2HB SER 34 -13.379 1.614 -13.107 277 2HB SER 34 1HB SER 34 -13.924 1.836 -14.768 278 HG SER 34 HG SER 34 -14.790 -0.020 -13.498 279 H ILE 35 H ILE 35 -11.538 1.956 -12.243 280 HA ILE 35 HA ILE 35 -9.305 0.108 -11.599 281 HB ILE 35 HB ILE 35 -10.539 2.446 -10.101 282 1HG1 ILE 35 2HG1 ILE 35 -8.044 3.231 -11.010 283 2HG1 ILE 35 1HG1 ILE 35 -8.645 2.264 -12.357 284 1HG2 ILE 35 1HG2 ILE 35 -8.138 0.696 -9.644 285 2HG2 ILE 35 2HG2 ILE 35 -9.330 1.276 -8.479 286 3HG2 ILE 35 3HG2 ILE 35 -8.105 2.377 -9.111 287 1HD1 ILE 35 1HD1 ILE 35 -10.866 3.749 -11.696 288 2HD1 ILE 35 2HD1 ILE 35 -9.725 4.163 -12.975 289 3HD1 ILE 35 3HD1 ILE 35 -9.557 4.886 -11.375 290 H GLY 36 H GLY 36 -12.411 -0.520 -11.611 291 1HA GLY 36 2HA GLY 36 -12.677 -1.418 -8.789 292 2HA GLY 36 1HA GLY 36 -13.987 -1.359 -9.971 293 H ASP 37 H ASP 37 -13.099 -2.736 -12.095 294 HA ASP 37 HA ASP 37 -13.297 -5.481 -11.312 295 1HB ASP 37 2HB ASP 37 -12.356 -4.116 -13.846 296 2HB ASP 37 1HB ASP 37 -12.694 -5.840 -13.735 297 H THR 38 H THR 38 -10.448 -3.577 -12.415 298 HA THR 38 HA THR 38 -8.588 -5.764 -12.159 299 HB THR 38 HB THR 38 -8.141 -3.798 -13.540 300 HG1 THR 38 1HG THR 38 -6.381 -3.775 -11.327 301 1HG2 THR 38 1HG2 THR 38 -9.238 -2.018 -12.410 302 2HG2 THR 38 2HG2 THR 38 -7.519 -1.636 -12.331 303 3HG2 THR 38 3HG2 THR 38 -8.337 -2.309 -10.923 304 H ALA 39 H ALA 39 -9.844 -3.357 -9.924 305 HA ALA 39 HA ALA 39 -7.954 -3.754 -7.781 306 1HB ALA 39 1HB ALA 39 -10.814 -2.788 -8.010 307 2HB ALA 39 2HB ALA 39 -9.360 -1.828 -7.740 308 3HB ALA 39 3HB ALA 39 -9.990 -2.855 -6.452 309 H LYS 40 H LYS 40 -10.771 -5.505 -8.913 310 HA LYS 40 HA LYS 40 -11.063 -7.173 -6.520 311 1HB LYS 40 2HB LYS 40 -12.191 -7.089 -9.323 312 2HB LYS 40 1HB LYS 40 -12.554 -8.437 -8.245 313 1HG LYS 40 2HG LYS 40 -13.310 -6.745 -6.526 314 2HG LYS 40 1HG LYS 40 -13.149 -5.506 -7.771 315 1HD LYS 40 2HD LYS 40 -14.661 -7.056 -9.204 316 2HD LYS 40 1HD LYS 40 -15.062 -7.832 -7.672 317 1HE LYS 40 2HE LYS 40 -15.250 -4.830 -7.993 318 2HE LYS 40 1HE LYS 40 -16.604 -5.898 -8.415 319 1HZ LYS 40 1HZ LYS 40 -15.173 -5.856 -5.809 320 2HZ LYS 40 2HZ LYS 40 -16.441 -6.908 -6.221 321 3HZ LYS 40 3HZ LYS 40 -16.726 -5.238 -6.089 322 H LYS 41 H LYS 41 -9.456 -7.351 -9.663 323 HA LYS 41 HA LYS 41 -8.662 -10.167 -9.342 324 1HB LYS 41 2HB LYS 41 -9.172 -8.803 -11.488 325 2HB LYS 41 1HB LYS 41 -7.554 -8.132 -11.281 326 1HG LYS 41 2HG LYS 41 -6.511 -10.131 -11.751 327 2HG LYS 41 1HG LYS 41 -7.839 -11.097 -11.106 328 1HD LYS 41 2HD LYS 41 -9.155 -10.036 -13.156 329 2HD LYS 41 1HD LYS 41 -7.528 -9.873 -13.819 330 1HE LYS 41 2HE LYS 41 -8.145 -12.023 -14.557 331 2HE LYS 41 1HE LYS 41 -7.283 -12.393 -13.050 332 1HZ LYS 41 1HZ LYS 41 -10.213 -11.948 -13.295 333 2HZ LYS 41 2HZ LYS 41 -9.378 -12.305 -11.859 334 3HZ LYS 41 3HZ LYS 41 -9.467 -13.459 -13.102 335 H LEU 42 H LEU 42 -7.401 -7.030 -8.504 336 HA LEU 42 HA LEU 42 -4.603 -7.892 -8.227 337 1HB LEU 42 2HB LEU 42 -6.251 -5.456 -8.066 338 2HB LEU 42 1HB LEU 42 -4.960 -5.501 -6.868 339 HG LEU 42 HG LEU 42 -3.322 -5.973 -8.662 340 1HD1 LEU 42 1HD1 LEU 42 -5.010 -7.061 -10.200 341 2HD1 LEU 42 2HD1 LEU 42 -3.966 -5.882 -10.992 342 3HD1 LEU 42 3HD1 LEU 42 -5.621 -5.450 -10.568 343 1HD2 LEU 42 1HD2 LEU 42 -3.179 -3.747 -9.389 344 2HD2 LEU 42 2HD2 LEU 42 -4.156 -3.620 -7.927 345 3HD2 LEU 42 3HD2 LEU 42 -4.930 -3.577 -9.510 346 H GLY 43 H GLY 43 -7.102 -6.709 -5.943 347 1HA GLY 43 2HA GLY 43 -5.796 -7.341 -3.532 348 2HA GLY 43 1HA GLY 43 -7.554 -7.324 -3.713 349 H GLU 44 H GLU 44 -7.387 -9.458 -5.818 350 HA GLU 44 HA GLU 44 -7.592 -11.777 -4.073 351 1HB GLU 44 2HB GLU 44 -8.851 -11.291 -6.243 352 2HB GLU 44 1HB GLU 44 -7.352 -11.655 -7.098 353 1HG GLU 44 2HG GLU 44 -7.324 -13.891 -5.924 354 2HG GLU 44 1HG GLU 44 -8.938 -13.521 -5.316 355 H MET 45 H MET 45 -5.213 -10.510 -6.394 356 HA MET 45 HA MET 45 -3.370 -12.758 -6.071 357 1HB MET 45 2HB MET 45 -3.388 -10.056 -7.415 358 2HB MET 45 1HB MET 45 -1.897 -10.994 -7.324 359 1HG MET 45 2HG MET 45 -2.800 -12.773 -8.594 360 2HG MET 45 1HG MET 45 -4.457 -12.222 -8.344 361 1HE MET 45 1HE MET 45 -1.090 -11.696 -9.739 362 2HE MET 45 2HE MET 45 -1.290 -10.830 -11.261 363 3HE MET 45 3HE MET 45 -1.875 -12.485 -11.114 364 H TRP 46 H TRP 46 -3.575 -9.378 -4.912 365 HA TRP 46 HA TRP 46 -1.132 -9.111 -3.525 366 1HB TRP 46 2HB TRP 46 -2.732 -7.314 -3.825 367 2HB TRP 46 1HB TRP 46 -3.949 -8.161 -2.881 368 HD1 TRP 46 HD TRP 46 -4.162 -7.096 -0.579 369 HE1 TRP 46 1HE TRP 46 -2.541 -6.066 1.142 370 HE3 TRP 46 3HE TRP 46 0.225 -7.562 -3.124 371 HZ2 TRP 46 2HZ TRP 46 0.259 -5.515 1.396 372 HZ3 TRP 46 3HZ TRP 46 2.356 -6.777 -2.130 373 HH2 TRP 46 HH TRP 46 2.371 -5.760 0.121 374 H SER 47 H SER 47 -4.205 -10.498 -2.286 375 HA SER 47 HA SER 47 -3.157 -11.247 0.293 376 1HB SER 47 2HB SER 47 -5.585 -10.962 -0.603 377 2HB SER 47 1HB SER 47 -5.411 -12.619 -1.175 378 HG SER 47 HG SER 47 -6.246 -12.122 1.088 379 H GLU 48 H GLU 48 -2.485 -12.519 -2.802 380 HA GLU 48 HA GLU 48 -1.868 -15.227 -1.746 381 1HB GLU 48 2HB GLU 48 -2.430 -14.012 -4.455 382 2HB GLU 48 1HB GLU 48 -1.696 -15.609 -4.304 383 1HG GLU 48 2HG GLU 48 -3.628 -16.252 -2.799 384 2HG GLU 48 1HG GLU 48 -4.390 -14.726 -3.246 385 H GLN 49 H GLN 49 -0.401 -12.219 -2.688 386 HA GLN 49 HA GLN 49 2.063 -13.151 -3.787 387 1HB GLN 49 2HB GLN 49 1.368 -10.732 -2.080 388 2HB GLN 49 1HB GLN 49 2.872 -10.909 -2.977 389 1HG GLN 49 2HG GLN 49 0.088 -10.841 -4.171 390 2HG GLN 49 1HG GLN 49 1.276 -9.548 -4.249 391 1HE2 GLN 49 1HE2 GLN 49 0.053 -11.149 -6.499 392 2HE2 GLN 49 2HE2 GLN 49 1.370 -11.820 -7.331 393 H SER 50 H SER 50 3.997 -13.714 -2.754 394 HA SER 50 HA SER 50 3.769 -14.608 0.061 395 1HB SER 50 2HB SER 50 5.789 -15.858 -0.499 396 2HB SER 50 1HB SER 50 4.649 -16.038 -1.830 397 HG SER 50 HG SER 50 6.815 -15.485 -2.483 398 H ALA 51 H ALA 51 6.704 -14.314 0.467 399 HA ALA 51 HA ALA 51 6.700 -11.585 1.496 400 1HB ALA 51 1HB ALA 51 9.087 -12.309 2.109 401 2HB ALA 51 2HB ALA 51 8.702 -13.854 1.351 402 3HB ALA 51 3HB ALA 51 7.786 -13.309 2.755 403 H LYS 52 H LYS 52 7.316 -12.811 -1.609 404 HA LYS 52 HA LYS 52 9.583 -11.098 -2.309 405 1HB LYS 52 2HB LYS 52 8.684 -13.371 -3.302 406 2HB LYS 52 1HB LYS 52 7.636 -12.319 -4.253 407 1HG LYS 52 2HG LYS 52 9.574 -11.123 -5.136 408 2HG LYS 52 1HG LYS 52 10.656 -12.072 -4.116 409 1HD LYS 52 2HD LYS 52 9.887 -14.139 -5.272 410 2HD LYS 52 1HD LYS 52 8.892 -13.145 -6.338 411 1HE LYS 52 2HE LYS 52 10.849 -12.037 -7.246 412 2HE LYS 52 1HE LYS 52 11.901 -12.829 -6.056 413 1HZ LYS 52 1HZ LYS 52 11.230 -14.974 -6.924 414 2HZ LYS 52 2HZ LYS 52 11.890 -14.029 -8.171 415 3HZ LYS 52 3HZ LYS 52 10.207 -14.233 -8.056 416 H ASP 53 H ASP 53 6.056 -11.050 -2.827 417 HA ASP 53 HA ASP 53 6.277 -8.159 -3.617 418 1HB ASP 53 2HB ASP 53 4.926 -10.519 -4.770 419 2HB ASP 53 1HB ASP 53 3.909 -9.084 -4.658 420 H LYS 54 H LYS 54 6.102 -8.518 -0.997 421 HA LYS 54 HA LYS 54 3.514 -7.440 -0.258 422 1HB LYS 54 2HB LYS 54 3.591 -10.138 -0.561 423 2HB LYS 54 1HB LYS 54 4.017 -9.993 1.137 424 1HG LYS 54 2HG LYS 54 1.988 -8.403 1.315 425 2HG LYS 54 1HG LYS 54 1.530 -9.013 -0.268 426 1HD LYS 54 2HD LYS 54 0.362 -10.349 1.338 427 2HD LYS 54 1HD LYS 54 1.664 -11.347 0.694 428 1HE LYS 54 2HE LYS 54 3.059 -10.848 2.660 429 2HE LYS 54 1HE LYS 54 1.788 -9.790 3.304 430 1HZ LYS 54 1HZ LYS 54 0.253 -11.720 3.117 431 2HZ LYS 54 2HZ LYS 54 1.488 -11.938 4.263 432 3HZ LYS 54 3HZ LYS 54 1.586 -12.700 2.748 433 H GLN 55 H GLN 55 6.557 -8.920 0.822 434 HA GLN 55 HA GLN 55 6.432 -7.886 3.530 435 1HB GLN 55 2HB GLN 55 8.364 -9.248 1.728 436 2HB GLN 55 1HB GLN 55 9.058 -8.353 3.076 437 1HG GLN 55 2HG GLN 55 6.841 -10.399 3.360 438 2HG GLN 55 1HG GLN 55 8.550 -10.748 3.629 439 1HE2 GLN 55 1HE2 GLN 55 5.696 -9.385 5.065 440 2HE2 GLN 55 2HE2 GLN 55 6.419 -8.857 6.507 441 HA PRO 56 HA PRO 56 9.374 -4.477 1.925 442 1HB PRO 56 2HB PRO 56 9.784 -4.236 -0.769 443 2HB PRO 56 1HB PRO 56 10.802 -5.246 0.277 444 1HG PRO 56 2HG PRO 56 8.573 -6.038 -1.532 445 2HG PRO 56 1HG PRO 56 10.117 -6.848 -1.224 446 1HD PRO 56 2HD PRO 56 7.772 -7.647 -0.121 447 2HD PRO 56 1HD PRO 56 9.347 -7.888 0.664 448 H TYR 57 H TYR 57 6.349 -5.304 0.542 449 HA TYR 57 HA TYR 57 5.774 -2.664 -0.621 450 1HB TYR 57 2HB TYR 57 4.306 -5.262 -0.160 451 2HB TYR 57 1HB TYR 57 3.451 -3.830 -0.735 452 HD1 TYR 57 1HD TYR 57 6.608 -5.737 -1.447 453 HD2 TYR 57 2HD TYR 57 3.300 -3.508 -3.032 454 HE1 TYR 57 1HE TYR 57 7.421 -6.170 -3.750 455 HE2 TYR 57 2HE TYR 57 4.111 -3.938 -5.334 456 HH TYR 57 HH TYR 57 6.975 -4.699 -6.160 457 H GLU 58 H GLU 58 4.859 -4.527 2.279 458 HA GLU 58 HA GLU 58 3.050 -2.504 3.308 459 1HB GLU 58 2HB GLU 58 3.168 -3.939 5.352 460 2HB GLU 58 1HB GLU 58 2.855 -4.868 3.888 461 1HG GLU 58 2HG GLU 58 4.800 -6.014 4.064 462 2HG GLU 58 1HG GLU 58 5.720 -4.558 4.442 463 H GLN 59 H GLN 59 6.515 -3.000 3.495 464 HA GLN 59 HA GLN 59 6.971 -1.357 5.851 465 1HB GLN 59 2HB GLN 59 8.733 -2.269 3.555 466 2HB GLN 59 1HB GLN 59 9.338 -1.510 5.023 467 1HG GLN 59 2HG GLN 59 7.794 -4.118 4.867 468 2HG GLN 59 1HG GLN 59 9.515 -3.955 5.201 469 1HE2 GLN 59 1HE2 GLN 59 9.181 -1.583 6.973 470 2HE2 GLN 59 2HE2 GLN 59 8.463 -2.156 8.397 471 H LYS 60 H LYS 60 7.976 -0.748 2.464 472 HA LYS 60 HA LYS 60 8.597 1.943 2.580 473 1HB LYS 60 2HB LYS 60 7.972 1.959 0.169 474 2HB LYS 60 1HB LYS 60 8.858 0.504 0.619 475 1HG LYS 60 2HG LYS 60 6.800 -0.778 0.743 476 2HG LYS 60 1HG LYS 60 5.835 0.674 0.480 477 1HD LYS 60 2HD LYS 60 5.964 -0.444 -1.638 478 2HD LYS 60 1HD LYS 60 7.048 0.943 -1.738 479 1HE LYS 60 2HE LYS 60 8.830 -0.839 -0.842 480 2HE LYS 60 1HE LYS 60 7.710 -1.973 -1.621 481 1HZ LYS 60 1HZ LYS 60 9.355 -1.092 -3.195 482 2HZ LYS 60 2HZ LYS 60 8.806 0.485 -2.885 483 3HZ LYS 60 3HZ LYS 60 7.776 -0.647 -3.622 484 H ALA 61 H ALA 61 5.343 0.593 2.693 485 HA ALA 61 HA ALA 61 4.096 3.263 2.341 486 1HB ALA 61 1HB ALA 61 2.541 0.846 3.116 487 2HB ALA 61 2HB ALA 61 3.390 0.760 1.574 488 3HB ALA 61 3HB ALA 61 2.207 2.036 1.859 489 H ALA 62 H ALA 62 4.620 0.768 4.798 490 HA ALA 62 HA ALA 62 3.051 1.981 6.895 491 1HB ALA 62 1HB ALA 62 5.386 0.049 6.849 492 2HB ALA 62 2HB ALA 62 3.672 -0.349 6.966 493 3HB ALA 62 3HB ALA 62 4.488 0.441 8.315 494 H LYS 63 H LYS 63 6.156 2.800 5.560 495 HA LYS 63 HA LYS 63 6.962 4.298 8.007 496 1HB LYS 63 2HB LYS 63 8.524 2.800 6.677 497 2HB LYS 63 1HB LYS 63 8.367 3.937 5.337 498 1HG LYS 63 2HG LYS 63 10.285 4.736 6.397 499 2HG LYS 63 1HG LYS 63 9.031 5.724 7.148 500 1HD LYS 63 2HD LYS 63 9.539 3.124 8.472 501 2HD LYS 63 1HD LYS 63 10.867 4.280 8.558 502 1HE LYS 63 2HE LYS 63 8.192 5.437 9.095 503 2HE LYS 63 1HE LYS 63 8.776 4.282 10.310 504 1HZ LYS 63 1HZ LYS 63 10.871 5.457 10.401 505 2HZ LYS 63 2HZ LYS 63 9.602 6.536 10.735 506 3HZ LYS 63 3HZ LYS 63 10.352 6.549 9.211 507 H LEU 64 H LEU 64 6.829 4.888 4.496 508 HA LEU 64 HA LEU 64 6.888 7.673 4.406 509 1HB LEU 64 2HB LEU 64 6.975 6.348 2.423 510 2HB LEU 64 1HB LEU 64 5.439 5.572 2.788 511 HG LEU 64 HG LEU 64 4.263 7.691 2.429 512 1HD1 LEU 64 1HD1 LEU 64 7.076 8.712 2.074 513 2HD1 LEU 64 2HD1 LEU 64 5.762 9.402 3.027 514 3HD1 LEU 64 3HD1 LEU 64 5.733 9.522 1.268 515 1HD2 LEU 64 1HD2 LEU 64 4.700 7.895 -0.015 516 2HD2 LEU 64 2HD2 LEU 64 4.589 6.214 0.509 517 3HD2 LEU 64 3HD2 LEU 64 6.166 6.937 0.194 518 H LYS 65 H LYS 65 4.225 5.592 5.382 519 HA LYS 65 HA LYS 65 2.125 7.589 5.298 520 1HB LYS 65 2HB LYS 65 1.764 5.136 5.315 521 2HB LYS 65 1HB LYS 65 2.472 5.043 6.928 522 1HG LYS 65 2HG LYS 65 0.648 6.074 7.938 523 2HG LYS 65 1HG LYS 65 0.176 6.915 6.461 524 1HD LYS 65 2HD LYS 65 -0.462 4.700 5.472 525 2HD LYS 65 1HD LYS 65 -0.131 3.953 7.035 526 1HE LYS 65 2HE LYS 65 -1.776 5.766 7.976 527 2HE LYS 65 1HE LYS 65 -2.333 5.871 6.293 528 1HZ LYS 65 1HZ LYS 65 -3.556 4.150 7.438 529 2HZ LYS 65 2HZ LYS 65 -2.113 3.394 7.922 530 3HZ LYS 65 3HZ LYS 65 -2.541 3.441 6.278 531 H GLU 66 H GLU 66 4.145 6.248 7.910 532 HA GLU 66 HA GLU 66 3.216 7.858 10.060 533 1HB GLU 66 2HB GLU 66 4.813 5.821 9.963 534 2HB GLU 66 1HB GLU 66 6.088 7.004 9.666 535 1HG GLU 66 2HG GLU 66 4.187 7.322 11.984 536 2HG GLU 66 1HG GLU 66 5.629 6.317 12.123 537 H LYS 67 H LYS 67 5.392 8.636 7.415 538 HA LYS 67 HA LYS 67 6.499 11.051 8.632 539 1HB LYS 67 2HB LYS 67 6.460 9.772 5.897 540 2HB LYS 67 1HB LYS 67 7.197 11.354 6.151 541 1HG LYS 67 2HG LYS 67 8.442 10.176 8.125 542 2HG LYS 67 1HG LYS 67 8.016 8.689 7.279 543 1HD LYS 67 2HD LYS 67 8.994 9.851 5.177 544 2HD LYS 67 1HD LYS 67 9.745 10.966 6.319 545 1HE LYS 67 2HE LYS 67 11.406 9.317 6.109 546 2HE LYS 67 1HE LYS 67 10.508 8.728 7.523 547 1HZ LYS 67 1HZ LYS 67 9.119 7.408 6.046 548 2HZ LYS 67 2HZ LYS 67 10.752 6.977 5.866 549 3HZ LYS 67 3HZ LYS 67 9.994 7.951 4.699 550 H TYR 68 H TYR 68 3.636 10.266 6.787 551 HA TYR 68 HA TYR 68 3.038 12.898 5.733 552 1HB TYR 68 2HB TYR 68 2.109 10.714 4.971 553 2HB TYR 68 1HB TYR 68 1.243 10.566 6.492 554 HD1 TYR 68 1HD TYR 68 1.734 13.083 3.742 555 HD2 TYR 68 2HD TYR 68 -0.979 11.231 6.510 556 HE1 TYR 68 1HE TYR 68 -0.144 14.380 2.775 557 HE2 TYR 68 2HE TYR 68 -2.856 12.530 5.542 558 HH TYR 68 HH TYR 68 -3.212 14.579 4.276 559 H GLU 69 H GLU 69 2.335 11.209 8.732 560 HA GLU 69 HA GLU 69 0.409 12.996 9.854 561 1HB GLU 69 2HB GLU 69 2.526 11.250 11.160 562 2HB GLU 69 1HB GLU 69 1.108 11.905 11.978 563 1HG GLU 69 2HG GLU 69 -0.122 10.736 9.890 564 2HG GLU 69 1HG GLU 69 1.296 9.691 9.993 565 H LYS 70 H LYS 70 3.952 13.082 9.768 566 HA LYS 70 HA LYS 70 4.033 15.479 11.511 567 1HB LYS 70 2HB LYS 70 5.769 13.300 10.730 568 2HB LYS 70 1HB LYS 70 6.563 14.828 10.353 569 1HG LYS 70 2HG LYS 70 6.756 15.427 12.552 570 2HG LYS 70 1HG LYS 70 5.215 14.692 12.995 571 1HD LYS 70 2HD LYS 70 7.429 12.867 12.165 572 2HD LYS 70 1HD LYS 70 7.541 13.618 13.757 573 1HE LYS 70 2HE LYS 70 4.961 12.831 13.854 574 2HE LYS 70 1HE LYS 70 5.604 11.584 12.767 575 1HZ LYS 70 1HZ LYS 70 6.861 12.387 15.338 576 2HZ LYS 70 2HZ LYS 70 7.362 11.127 14.314 577 3HZ LYS 70 3HZ LYS 70 5.882 11.016 15.141 578 H ASP 71 H ASP 71 4.503 14.481 8.151 579 HA ASP 71 HA ASP 71 5.539 16.929 7.081 580 1HB ASP 71 2HB ASP 71 4.224 14.442 6.156 581 2HB ASP 71 1HB ASP 71 4.007 15.812 5.084 582 H ILE 72 H ILE 72 2.207 15.669 7.066 583 HA ILE 72 HA ILE 72 0.840 17.905 6.059 584 HB ILE 72 HB ILE 72 0.204 15.667 7.984 585 1HG1 ILE 72 2HG1 ILE 72 0.530 15.161 5.607 586 2HG1 ILE 72 1HG1 ILE 72 -1.138 14.878 6.095 587 1HG2 ILE 72 1HG2 ILE 72 -1.594 17.966 7.231 588 2HG2 ILE 72 2HG2 ILE 72 -1.413 17.164 8.791 589 3HG2 ILE 72 3HG2 ILE 72 -2.278 16.360 7.481 590 1HD1 ILE 72 1HD1 ILE 72 -1.339 16.040 4.041 591 2HD1 ILE 72 2HD1 ILE 72 -0.031 17.150 4.444 592 3HD1 ILE 72 3HD1 ILE 72 -1.587 17.292 5.259 593 H ALA 73 H ALA 73 1.581 17.224 9.508 594 HA ALA 73 HA ALA 73 0.350 19.537 10.623 595 1HB ALA 73 1HB ALA 73 1.257 17.496 11.797 596 2HB ALA 73 2HB ALA 73 1.741 19.017 12.549 597 3HB ALA 73 3HB ALA 73 2.881 18.132 11.535 598 H ALA 74 H ALA 74 3.821 19.060 9.889 599 HA ALA 74 HA ALA 74 4.599 21.782 10.327 600 1HB ALA 74 1HB ALA 74 6.671 21.055 9.248 601 2HB ALA 74 2HB ALA 74 5.841 19.675 8.528 602 3HB ALA 74 3HB ALA 74 6.068 19.754 10.275 603 H TYR 75 H TYR 75 3.730 20.029 7.345 604 HA TYR 75 HA TYR 75 4.215 22.198 5.526 605 1HB TYR 75 2HB TYR 75 3.840 19.654 5.150 606 2HB TYR 75 1HB TYR 75 2.121 20.057 5.163 607 HD1 TYR 75 1HD TYR 75 1.236 21.758 3.519 608 HD2 TYR 75 2HD TYR 75 5.216 20.159 3.270 609 HE1 TYR 75 1HE TYR 75 1.404 22.539 1.170 610 HE2 TYR 75 2HE TYR 75 5.382 20.938 0.922 611 HH TYR 75 HH TYR 75 3.854 23.113 -0.403 612 H ARG 76 H ARG 76 1.572 21.502 7.718 613 HA ARG 76 HA ARG 76 -0.433 23.123 6.378 614 1HB ARG 76 2HB ARG 76 -0.889 21.292 7.994 615 2HB ARG 76 1HB ARG 76 -0.154 22.256 9.274 616 1HG ARG 76 2HG ARG 76 -1.886 23.819 9.278 617 2HG ARG 76 1HG ARG 76 -2.370 23.434 7.627 618 1HD ARG 76 2HD ARG 76 -4.065 22.391 8.881 619 2HD ARG 76 1HD ARG 76 -2.914 21.057 8.662 620 HE ARG 76 HE ARG 76 -1.936 22.136 10.924 621 1HH1 ARG 76 1HH1 ARG 76 -4.578 23.585 11.270 622 2HH1 ARG 76 2HH1 ARG 76 -5.445 22.480 12.285 623 1HH2 ARG 76 1HH2 ARG 76 -3.309 19.820 11.664 624 2HH2 ARG 76 2HH2 ARG 76 -4.725 20.349 12.508 625 H ALA 77 H ALA 77 1.094 23.750 9.563 626 HA ALA 77 HA ALA 77 0.578 26.605 9.393 627 1HB ALA 77 1HB ALA 77 2.251 24.848 11.214 628 2HB ALA 77 2HB ALA 77 0.618 25.439 11.518 629 3HB ALA 77 3HB ALA 77 1.975 26.565 11.504 630 H LYS 78 H LYS 78 1.681 27.372 7.506 631 HA LYS 78 HA LYS 78 4.537 27.933 7.889 632 1HB LYS 78 2HB LYS 78 4.180 25.550 6.898 633 2HB LYS 78 1HB LYS 78 3.735 26.400 5.418 634 1HG LYS 78 2HG LYS 78 6.238 27.279 6.773 635 2HG LYS 78 1HG LYS 78 6.276 25.713 5.959 636 1HD LYS 78 2HD LYS 78 5.123 28.110 4.553 637 2HD LYS 78 1HD LYS 78 6.870 27.863 4.591 638 1HE LYS 78 2HE LYS 78 6.669 25.714 3.503 639 2HE LYS 78 1HE LYS 78 4.901 25.747 3.655 640 1HZ LYS 78 1HZ LYS 78 6.561 27.702 2.150 641 2HZ LYS 78 2HZ LYS 78 4.875 27.794 2.347 642 3HZ LYS 78 3HZ LYS 78 5.563 26.514 1.465 Start of MODEL 21 1 1H MET 1 1HT MET 1 -12.126 16.483 -0.444 2 2H MET 1 2HT MET 1 -12.998 16.292 -1.889 3 3H MET 1 3HT MET 1 -13.473 17.467 -0.758 4 HA MET 1 HA MET 1 -12.322 18.525 -2.603 5 1HB MET 1 2HB MET 1 -12.177 19.154 -0.103 6 2HB MET 1 1HB MET 1 -10.560 18.450 -0.147 7 1HG MET 1 2HG MET 1 -9.855 20.005 -1.856 8 2HG MET 1 1HG MET 1 -11.499 20.612 -2.049 9 1HE MET 1 1HE MET 1 -11.099 23.425 -1.204 10 2HE MET 1 2HE MET 1 -9.871 22.513 -2.077 11 3HE MET 1 3HE MET 1 -9.414 23.470 -0.669 12 H LYS 2 H LYS 2 -10.085 18.894 -3.530 13 HA LYS 2 HA LYS 2 -8.767 16.284 -4.049 14 1HB LYS 2 2HB LYS 2 -8.690 19.050 -5.280 15 2HB LYS 2 1HB LYS 2 -7.631 17.746 -5.819 16 1HG LYS 2 2HG LYS 2 -9.423 16.445 -6.607 17 2HG LYS 2 1HG LYS 2 -10.606 17.316 -5.631 18 1HD LYS 2 2HD LYS 2 -10.140 19.364 -7.018 19 2HD LYS 2 1HD LYS 2 -9.134 18.361 -8.066 20 1HE LYS 2 2HE LYS 2 -10.960 17.168 -8.903 21 2HE LYS 2 1HE LYS 2 -11.954 17.492 -7.469 22 1HZ LYS 2 1HZ LYS 2 -12.009 19.828 -8.063 23 2HZ LYS 2 2HZ LYS 2 -12.620 18.891 -9.341 24 3HZ LYS 2 3HZ LYS 2 -11.050 19.534 -9.430 25 H LYS 3 H LYS 3 -6.224 16.717 -4.466 26 HA LYS 3 HA LYS 3 -5.131 17.554 -1.851 27 1HB LYS 3 2HB LYS 3 -4.406 15.874 -4.162 28 2HB LYS 3 1HB LYS 3 -3.041 16.755 -3.475 29 1HG LYS 3 2HG LYS 3 -3.231 14.619 -2.334 30 2HG LYS 3 1HG LYS 3 -3.699 15.897 -1.212 31 1HD LYS 3 2HD LYS 3 -6.109 15.476 -1.961 32 2HD LYS 3 1HD LYS 3 -5.506 14.007 -2.730 33 1HE LYS 3 2HE LYS 3 -4.870 13.041 -0.660 34 2HE LYS 3 1HE LYS 3 -4.938 14.603 0.182 35 1HZ LYS 3 1HZ LYS 3 -7.239 13.168 -1.034 36 2HZ LYS 3 2HZ LYS 3 -7.318 14.706 -0.318 37 3HZ LYS 3 3HZ LYS 3 -6.942 13.344 0.625 38 H ASP 4 H ASP 4 -4.168 19.519 -1.532 39 HA ASP 4 HA ASP 4 -3.778 21.326 -3.863 40 1HB ASP 4 2HB ASP 4 -4.247 21.530 -0.930 41 2HB ASP 4 1HB ASP 4 -3.295 22.822 -1.663 42 HA PRO 5 HA PRO 5 0.620 21.163 -3.650 43 1HB PRO 5 2HB PRO 5 1.412 23.778 -3.796 44 2HB PRO 5 1HB PRO 5 0.742 22.892 -5.181 45 1HG PRO 5 2HG PRO 5 -0.577 24.848 -3.368 46 2HG PRO 5 1HG PRO 5 -0.755 24.630 -5.116 47 1HD PRO 5 2HD PRO 5 -2.565 23.715 -3.293 48 2HD PRO 5 1HD PRO 5 -2.305 22.964 -4.883 49 H ASN 6 H ASN 6 -0.887 23.467 -1.423 50 HA ASN 6 HA ASN 6 1.341 23.847 0.351 51 1HB ASN 6 2HB ASN 6 -1.671 23.974 0.675 52 2HB ASN 6 1HB ASN 6 -0.550 24.484 1.939 53 1HD2 ASN 6 1HD2 ASN 6 -1.789 25.291 -1.278 54 2HD2 ASN 6 2HD2 ASN 6 -1.088 26.834 -1.354 55 H ALA 7 H ALA 7 -1.296 21.455 0.285 56 HA ALA 7 HA ALA 7 -0.356 20.109 2.731 57 1HB ALA 7 1HB ALA 7 -2.400 19.070 2.597 58 2HB ALA 7 2HB ALA 7 -2.282 18.841 0.853 59 3HB ALA 7 3HB ALA 7 -2.755 20.409 1.506 60 HA PRO 8 HA PRO 8 2.199 17.257 0.620 61 1HB PRO 8 2HB PRO 8 2.189 15.165 2.361 62 2HB PRO 8 1HB PRO 8 3.113 16.662 2.577 63 1HG PRO 8 2HG PRO 8 0.760 15.739 3.996 64 2HG PRO 8 1HG PRO 8 1.912 17.014 4.364 65 1HD PRO 8 2HD PRO 8 -0.724 17.314 3.301 66 2HD PRO 8 1HD PRO 8 0.440 18.571 3.761 67 H LYS 9 H LYS 9 2.255 14.915 -0.229 68 HA LYS 9 HA LYS 9 -0.199 14.348 -1.645 69 1HB LYS 9 2HB LYS 9 2.488 13.022 -1.300 70 2HB LYS 9 1HB LYS 9 1.222 12.269 -2.272 71 1HG LYS 9 2HG LYS 9 1.049 14.596 -3.429 72 2HG LYS 9 1HG LYS 9 2.644 14.883 -2.731 73 1HD LYS 9 2HD LYS 9 3.547 12.928 -3.852 74 2HD LYS 9 1HD LYS 9 1.945 12.479 -4.439 75 1HE LYS 9 2HE LYS 9 2.987 13.585 -6.286 76 2HE LYS 9 1HE LYS 9 1.923 14.814 -5.574 77 1HZ LYS 9 1HZ LYS 9 3.781 15.584 -4.225 78 2HZ LYS 9 2HZ LYS 9 4.156 15.693 -5.878 79 3HZ LYS 9 3HZ LYS 9 4.802 14.433 -4.939 80 H ARG 10 H ARG 10 -1.107 12.068 -1.655 81 HA ARG 10 HA ARG 10 -2.028 11.373 1.026 82 1HB ARG 10 2HB ARG 10 -3.444 9.794 -0.204 83 2HB ARG 10 1HB ARG 10 -3.429 11.343 -1.041 84 1HG ARG 10 2HG ARG 10 -1.690 10.466 -2.593 85 2HG ARG 10 1HG ARG 10 -1.772 8.907 -1.774 86 1HD ARG 10 2HD ARG 10 -3.208 8.720 -3.695 87 2HD ARG 10 1HD ARG 10 -4.296 8.945 -2.310 88 HE ARG 10 HE ARG 10 -3.394 11.426 -3.623 89 1HH1 ARG 10 1HH1 ARG 10 -5.910 11.096 -1.969 90 2HH1 ARG 10 2HH1 ARG 10 -7.134 11.115 -3.194 91 1HH2 ARG 10 1HH2 ARG 10 -4.914 10.532 -5.794 92 2HH2 ARG 10 2HH2 ARG 10 -6.569 10.797 -5.360 93 HA PRO 11 HA PRO 11 1.236 8.396 1.650 94 1HB PRO 11 2HB PRO 11 0.273 7.198 3.911 95 2HB PRO 11 1HB PRO 11 1.037 8.799 3.920 96 1HG PRO 11 2HG PRO 11 -1.841 8.076 4.024 97 2HG PRO 11 1HG PRO 11 -0.976 9.393 4.829 98 1HD PRO 11 2HD PRO 11 -2.523 9.704 2.583 99 2HD PRO 11 1HD PRO 11 -1.202 10.796 3.049 100 HA PRO 12 HA PRO 12 -0.576 4.796 -0.233 101 1HB PRO 12 2HB PRO 12 1.479 3.025 0.104 102 2HB PRO 12 1HB PRO 12 1.514 4.318 -1.110 103 1HG PRO 12 2HG PRO 12 2.815 4.189 1.562 104 2HG PRO 12 1HG PRO 12 3.423 4.862 0.042 105 1HD PRO 12 2HD PRO 12 2.418 6.383 2.070 106 2HD PRO 12 1HD PRO 12 2.375 6.869 0.361 107 H SER 13 H SER 13 -0.388 2.165 0.525 108 HA SER 13 HA SER 13 -0.609 1.863 3.434 109 1HB SER 13 2HB SER 13 -2.723 2.980 2.760 110 2HB SER 13 1HB SER 13 -3.047 1.655 1.646 111 HG SER 13 HG SER 13 -4.096 1.176 3.532 112 H ALA 14 H ALA 14 0.956 0.509 1.359 113 HA ALA 14 HA ALA 14 1.648 -1.683 0.954 114 1HB ALA 14 1HB ALA 14 1.070 -3.226 2.525 115 2HB ALA 14 2HB ALA 14 -0.656 -2.994 2.249 116 3HB ALA 14 3HB ALA 14 0.226 -1.885 3.298 117 H PHE 15 H PHE 15 -1.937 -2.057 1.031 118 HA PHE 15 HA PHE 15 -2.065 -3.551 -1.389 119 1HB PHE 15 2HB PHE 15 -3.868 -3.404 0.287 120 2HB PHE 15 1HB PHE 15 -4.094 -1.695 -0.089 121 HD1 PHE 15 1HD PHE 15 -5.976 -1.273 -1.395 122 HD2 PHE 15 2HD PHE 15 -3.717 -4.861 -2.088 123 HE1 PHE 15 1HE PHE 15 -7.495 -1.869 -3.264 124 HE2 PHE 15 2HE PHE 15 -5.237 -5.457 -3.955 125 HZ PHE 15 HZ PHE 15 -7.124 -3.960 -4.548 126 H PHE 16 H PHE 16 -1.886 -0.081 -0.832 127 HA PHE 16 HA PHE 16 -2.746 0.749 -3.462 128 1HB PHE 16 2HB PHE 16 -2.605 2.111 -1.314 129 2HB PHE 16 1HB PHE 16 -0.858 2.162 -1.552 130 HD1 PHE 16 1HD PHE 16 -4.130 3.184 -2.958 131 HD2 PHE 16 2HD PHE 16 0.140 3.529 -3.269 132 HE1 PHE 16 1HE PHE 16 -4.399 5.074 -4.541 133 HE2 PHE 16 2HE PHE 16 -0.128 5.420 -4.852 134 HZ PHE 16 HZ PHE 16 -2.398 6.192 -5.488 135 H LEU 17 H LEU 17 0.358 -0.253 -2.108 136 HA LEU 17 HA LEU 17 2.018 0.644 -4.305 137 1HB LEU 17 2HB LEU 17 2.203 -1.423 -2.115 138 2HB LEU 17 1HB LEU 17 3.464 -1.315 -3.344 139 HG LEU 17 HG LEU 17 3.632 1.153 -2.811 140 1HD1 LEU 17 1HD1 LEU 17 1.629 1.695 -1.726 141 2HD1 LEU 17 2HD1 LEU 17 2.776 1.603 -0.390 142 3HD1 LEU 17 3HD1 LEU 17 1.682 0.256 -0.706 143 1HD2 LEU 17 1HD2 LEU 17 4.675 0.612 -0.450 144 2HD2 LEU 17 2HD2 LEU 17 5.387 -0.082 -1.907 145 3HD2 LEU 17 3HD2 LEU 17 4.314 -1.053 -0.900 146 H PHE 18 H PHE 18 1.353 -2.732 -3.505 147 HA PHE 18 HA PHE 18 1.760 -4.133 -5.790 148 1HB PHE 18 2HB PHE 18 0.843 -5.112 -3.761 149 2HB PHE 18 1HB PHE 18 -0.681 -4.254 -3.988 150 HD1 PHE 18 1HD PHE 18 -2.441 -5.314 -5.102 151 HD2 PHE 18 2HD PHE 18 1.575 -6.709 -5.715 152 HE1 PHE 18 1HE PHE 18 -3.306 -7.214 -6.438 153 HE2 PHE 18 2HE PHE 18 0.709 -8.610 -7.053 154 HZ PHE 18 HZ PHE 18 -1.735 -8.867 -7.411 155 H CYS 19 H CYS 19 -1.422 -2.460 -5.280 156 HA CYS 19 HA CYS 19 -2.360 -2.951 -7.931 157 1HB CYS 19 2HB CYS 19 -3.709 -2.350 -5.914 158 2HB CYS 19 1HB CYS 19 -3.063 -0.714 -6.015 159 HG CYS 19 HG CYS 19 -5.440 -1.114 -7.343 160 H SER 20 H SER 20 -0.831 0.002 -6.547 161 HA SER 20 HA SER 20 -0.995 1.683 -8.790 162 1HB SER 20 2HB SER 20 0.831 2.882 -7.761 163 2HB SER 20 1HB SER 20 -0.142 2.195 -6.469 164 HG SER 20 HG SER 20 2.384 1.441 -7.436 165 H GLU 21 H GLU 21 1.190 -1.065 -8.311 166 HA GLU 21 HA GLU 21 2.792 -0.294 -10.676 167 1HB GLU 21 2HB GLU 21 4.128 -2.275 -10.027 168 2HB GLU 21 1HB GLU 21 3.875 -1.190 -8.663 169 1HG GLU 21 2HG GLU 21 2.360 -2.629 -7.627 170 2HG GLU 21 1HG GLU 21 1.950 -3.447 -9.134 171 H HIS 22 H HIS 22 0.068 -2.372 -9.929 172 HA HIS 22 HA HIS 22 0.434 -3.921 -12.439 173 1HB HIS 22 2HB HIS 22 -1.217 -4.085 -9.937 174 2HB HIS 22 1HB HIS 22 -1.758 -4.950 -11.375 175 HD1 HIS 22 1HD HIS 22 0.226 -6.516 -12.506 176 HD2 HIS 22 2HD HIS 22 0.666 -5.490 -8.490 177 HE1 HIS 22 1HE HIS 22 1.901 -8.146 -11.529 178 H ARG 23 H ARG 23 -1.767 -1.578 -10.925 179 HA ARG 23 HA ARG 23 -4.001 -1.489 -12.486 180 1HB ARG 23 2HB ARG 23 -2.736 0.167 -10.709 181 2HB ARG 23 1HB ARG 23 -2.735 1.155 -12.166 182 1HG ARG 23 2HG ARG 23 -5.235 0.472 -12.366 183 2HG ARG 23 1HG ARG 23 -5.087 0.024 -10.666 184 1HD ARG 23 2HD ARG 23 -4.093 2.724 -11.545 185 2HD ARG 23 1HD ARG 23 -5.830 2.477 -11.281 186 HE ARG 23 HE ARG 23 -4.985 1.414 -9.017 187 1HH1 ARG 23 1HH2 ARG 23 -2.250 2.692 -9.973 188 2HH1 ARG 23 2HH2 ARG 23 -2.194 4.049 -8.898 189 1HH2 ARG 23 1HH1 ARG 23 -5.515 3.768 -7.942 190 2HH2 ARG 23 2HH1 ARG 23 -4.041 4.659 -7.749 191 HA PRO 24 HA PRO 24 -2.017 1.014 -16.059 192 1HB PRO 24 2HB PRO 24 0.715 1.038 -16.273 193 2HB PRO 24 1HB PRO 24 -0.202 2.284 -15.404 194 1HG PRO 24 2HG PRO 24 1.270 -0.074 -14.333 195 2HG PRO 24 1HG PRO 24 1.177 1.578 -13.704 196 1HD PRO 24 2HD PRO 24 -0.253 -0.463 -12.665 197 2HD PRO 24 1HD PRO 24 -0.837 1.214 -12.663 198 H LYS 25 H LYS 25 -0.678 -1.984 -14.880 199 HA LYS 25 HA LYS 25 0.076 -3.002 -17.534 200 1HB LYS 25 2HB LYS 25 1.111 -3.506 -15.218 201 2HB LYS 25 1HB LYS 25 -0.290 -4.547 -14.961 202 1HG LYS 25 2HG LYS 25 0.322 -6.017 -16.678 203 2HG LYS 25 1HG LYS 25 1.334 -4.814 -17.477 204 1HD LYS 25 2HD LYS 25 2.960 -4.934 -15.638 205 2HD LYS 25 1HD LYS 25 1.941 -6.104 -14.800 206 1HE LYS 25 2HE LYS 25 2.764 -6.702 -17.625 207 2HE LYS 25 1HE LYS 25 3.937 -6.957 -16.317 208 1HZ LYS 25 1HZ LYS 25 2.579 -8.928 -16.607 209 2HZ LYS 25 2HZ LYS 25 1.159 -8.016 -16.408 210 3HZ LYS 25 3HZ LYS 25 2.239 -8.208 -15.109 211 H ILE 26 H ILE 26 -2.582 -3.374 -15.201 212 HA ILE 26 HA ILE 26 -3.974 -5.476 -16.618 213 HB ILE 26 HB ILE 26 -4.952 -3.356 -14.673 214 1HG1 ILE 26 2HG1 ILE 26 -3.074 -4.679 -13.771 215 2HG1 ILE 26 1HG1 ILE 26 -4.576 -5.098 -12.953 216 1HG2 ILE 26 1HG2 ILE 26 -6.235 -5.676 -15.981 217 2HG2 ILE 26 2HG2 ILE 26 -6.965 -4.246 -15.253 218 3HG2 ILE 26 3HG2 ILE 26 -6.464 -5.596 -14.234 219 1HD1 ILE 26 1HD1 ILE 26 -3.185 -6.671 -15.139 220 2HD1 ILE 26 2HD1 ILE 26 -4.809 -7.038 -14.559 221 3HD1 ILE 26 3HD1 ILE 26 -3.433 -7.162 -13.462 222 H LYS 27 H LYS 27 -3.689 -2.056 -17.143 223 HA LYS 27 HA LYS 27 -6.203 -1.730 -18.613 224 1HB LYS 27 2HB LYS 27 -3.732 -0.125 -18.006 225 2HB LYS 27 1HB LYS 27 -4.860 0.442 -19.239 226 1HG LYS 27 2HG LYS 27 -6.712 0.235 -17.565 227 2HG LYS 27 1HG LYS 27 -5.505 -0.164 -16.341 228 1HD LYS 27 2HD LYS 27 -5.738 2.146 -16.052 229 2HD LYS 27 1HD LYS 27 -4.352 2.052 -17.139 230 1HE LYS 27 2HE LYS 27 -6.111 2.200 -19.054 231 2HE LYS 27 1HE LYS 27 -7.201 2.806 -17.791 232 1HZ LYS 27 1HZ LYS 27 -5.944 4.617 -18.813 233 2HZ LYS 27 2HZ LYS 27 -4.485 3.865 -18.376 234 3HZ LYS 27 3HZ LYS 27 -5.539 4.442 -17.176 235 H SER 28 H SER 28 -3.005 -2.888 -19.366 236 HA SER 28 HA SER 28 -3.053 -2.241 -22.213 237 1HB SER 28 2HB SER 28 -1.048 -2.652 -20.674 238 2HB SER 28 1HB SER 28 -1.446 -4.366 -20.769 239 HG SER 28 HG SER 28 -0.362 -2.662 -22.660 240 H GLU 29 H GLU 29 -3.526 -5.239 -20.318 241 HA GLU 29 HA GLU 29 -4.451 -6.717 -22.701 242 1HB GLU 29 2HB GLU 29 -4.031 -7.320 -19.769 243 2HB GLU 29 1HB GLU 29 -4.724 -8.508 -20.873 244 1HG GLU 29 2HG GLU 29 -2.114 -7.108 -21.469 245 2HG GLU 29 1HG GLU 29 -2.179 -8.605 -20.538 246 H HIS 30 H HIS 30 -5.973 -4.427 -20.992 247 HA HIS 30 HA HIS 30 -8.647 -5.548 -21.504 248 1HB HIS 30 2HB HIS 30 -7.796 -4.659 -18.722 249 2HB HIS 30 1HB HIS 30 -9.408 -5.179 -19.188 250 HD1 HIS 30 1HD HIS 30 -9.831 -7.696 -19.478 251 HD2 HIS 30 2HD HIS 30 -5.876 -6.781 -18.554 252 HE1 HIS 30 1HE HIS 30 -8.713 -9.888 -18.874 253 HA PRO 31 HA PRO 31 -8.027 -1.005 -22.251 254 1HB PRO 31 2HB PRO 31 -9.463 -0.964 -24.595 255 2HB PRO 31 1HB PRO 31 -7.727 -1.335 -24.524 256 1HG PRO 31 2HG PRO 31 -10.054 -3.207 -24.675 257 2HG PRO 31 1HG PRO 31 -8.514 -3.253 -25.553 258 1HD PRO 31 2HD PRO 31 -8.957 -4.825 -23.415 259 2HD PRO 31 1HD PRO 31 -7.355 -4.127 -23.747 260 H GLY 32 H GLY 32 -9.449 0.315 -21.196 261 1HA GLY 32 2HA GLY 32 -11.629 1.324 -20.875 262 2HA GLY 32 1HA GLY 32 -12.371 -0.155 -21.487 263 H LEU 33 H LEU 33 -10.450 -1.754 -19.745 264 HA LEU 33 HA LEU 33 -12.093 -2.403 -17.585 265 1HB LEU 33 2HB LEU 33 -9.896 -3.401 -18.601 266 2HB LEU 33 1HB LEU 33 -9.086 -2.425 -17.386 267 HG LEU 33 HG LEU 33 -9.490 -4.738 -16.596 268 1HD1 LEU 33 1HD1 LEU 33 -9.597 -2.611 -15.115 269 2HD1 LEU 33 2HD1 LEU 33 -10.190 -4.131 -14.447 270 3HD1 LEU 33 3HD1 LEU 33 -11.331 -2.929 -15.051 271 1HD2 LEU 33 1HD2 LEU 33 -12.437 -4.128 -16.503 272 2HD2 LEU 33 2HD2 LEU 33 -11.625 -5.692 -16.422 273 3HD2 LEU 33 3HD2 LEU 33 -11.727 -4.831 -17.958 274 H SER 34 H SER 34 -12.923 -0.714 -16.356 275 HA SER 34 HA SER 34 -11.587 1.609 -15.423 276 1HB SER 34 2HB SER 34 -13.405 1.402 -13.584 277 2HB SER 34 1HB SER 34 -13.950 1.476 -15.258 278 HG SER 34 HG SER 34 -14.437 -0.406 -13.504 279 H ILE 35 H ILE 35 -11.533 1.789 -12.741 280 HA ILE 35 HA ILE 35 -9.308 -0.013 -11.974 281 HB ILE 35 HB ILE 35 -10.575 2.399 -10.627 282 1HG1 ILE 35 2HG1 ILE 35 -7.991 2.251 -12.206 283 2HG1 ILE 35 1HG1 ILE 35 -9.523 2.761 -12.917 284 1HG2 ILE 35 1HG2 ILE 35 -9.378 1.336 -8.920 285 2HG2 ILE 35 2HG2 ILE 35 -8.156 2.410 -9.603 286 3HG2 ILE 35 3HG2 ILE 35 -8.167 0.699 -10.032 287 1HD1 ILE 35 1HD1 ILE 35 -7.987 4.087 -10.674 288 2HD1 ILE 35 2HD1 ILE 35 -9.671 4.475 -11.028 289 3HD1 ILE 35 3HD1 ILE 35 -8.425 4.771 -12.240 290 H GLY 36 H GLY 36 -12.423 -0.659 -11.950 291 1HA GLY 36 2HA GLY 36 -12.659 -1.428 -9.087 292 2HA GLY 36 1HA GLY 36 -13.981 -1.427 -10.256 293 H ASP 37 H ASP 37 -13.121 -2.889 -12.323 294 HA ASP 37 HA ASP 37 -13.307 -5.599 -11.452 295 1HB ASP 37 2HB ASP 37 -12.345 -4.298 -14.015 296 2HB ASP 37 1HB ASP 37 -12.626 -6.032 -13.858 297 H THR 38 H THR 38 -10.446 -3.715 -12.539 298 HA THR 38 HA THR 38 -8.599 -5.916 -12.145 299 HB THR 38 HB THR 38 -8.212 -4.044 -13.704 300 HG1 THR 38 1HG THR 38 -6.073 -3.544 -12.945 301 1HG2 THR 38 1HG2 THR 38 -8.280 -1.857 -13.123 302 2HG2 THR 38 2HG2 THR 38 -7.436 -2.136 -11.601 303 3HG2 THR 38 3HG2 THR 38 -9.170 -2.430 -11.713 304 H ALA 39 H ALA 39 -9.868 -3.363 -10.095 305 HA ALA 39 HA ALA 39 -7.896 -3.609 -7.964 306 1HB ALA 39 1HB ALA 39 -9.136 -1.586 -8.099 307 2HB ALA 39 2HB ALA 39 -9.845 -2.425 -6.718 308 3HB ALA 39 3HB ALA 39 -10.667 -2.442 -8.279 309 H LYS 40 H LYS 40 -10.934 -5.173 -8.792 310 HA LYS 40 HA LYS 40 -11.301 -6.548 -6.249 311 1HB LYS 40 2HB LYS 40 -12.393 -6.732 -9.058 312 2HB LYS 40 1HB LYS 40 -12.815 -7.958 -7.863 313 1HG LYS 40 2HG LYS 40 -13.788 -6.319 -6.401 314 2HG LYS 40 1HG LYS 40 -13.150 -4.990 -7.370 315 1HD LYS 40 2HD LYS 40 -14.634 -5.445 -9.168 316 2HD LYS 40 1HD LYS 40 -15.049 -7.035 -8.526 317 1HE LYS 40 2HE LYS 40 -16.355 -6.108 -6.766 318 2HE LYS 40 1HE LYS 40 -15.658 -4.492 -6.996 319 1HZ LYS 40 1HZ LYS 40 -16.611 -4.432 -9.216 320 2HZ LYS 40 2HZ LYS 40 -17.833 -4.665 -8.059 321 3HZ LYS 40 3HZ LYS 40 -17.286 -5.971 -8.997 322 H LYS 41 H LYS 41 -9.949 -7.360 -9.428 323 HA LYS 41 HA LYS 41 -9.231 -10.091 -8.806 324 1HB LYS 41 2HB LYS 41 -9.463 -8.830 -11.065 325 2HB LYS 41 1HB LYS 41 -7.818 -8.268 -10.761 326 1HG LYS 41 2HG LYS 41 -7.135 -10.678 -10.463 327 2HG LYS 41 1HG LYS 41 -8.749 -11.141 -11.003 328 1HD LYS 41 2HD LYS 41 -8.413 -10.174 -13.160 329 2HD LYS 41 1HD LYS 41 -6.953 -9.335 -12.633 330 1HE LYS 41 2HE LYS 41 -5.773 -11.462 -12.367 331 2HE LYS 41 1HE LYS 41 -7.248 -12.358 -12.780 332 1HZ LYS 41 1HZ LYS 41 -5.904 -10.356 -14.518 333 2HZ LYS 41 2HZ LYS 41 -7.316 -11.219 -14.905 334 3HZ LYS 41 3HZ LYS 41 -5.837 -12.037 -14.732 335 H LEU 42 H LEU 42 -7.273 -7.091 -8.959 336 HA LEU 42 HA LEU 42 -4.775 -8.044 -8.130 337 1HB LEU 42 2HB LEU 42 -6.311 -5.523 -8.039 338 2HB LEU 42 1HB LEU 42 -4.981 -5.604 -6.890 339 HG LEU 42 HG LEU 42 -3.444 -6.229 -8.729 340 1HD1 LEU 42 1HD1 LEU 42 -4.117 -6.387 -10.966 341 2HD1 LEU 42 2HD1 LEU 42 -5.590 -5.458 -10.691 342 3HD1 LEU 42 3HD1 LEU 42 -5.481 -7.127 -10.132 343 1HD2 LEU 42 1HD2 LEU 42 -3.160 -4.035 -9.448 344 2HD2 LEU 42 2HD2 LEU 42 -4.167 -3.804 -8.018 345 3HD2 LEU 42 3HD2 LEU 42 -4.894 -3.763 -9.624 346 H GLY 43 H GLY 43 -7.332 -6.756 -5.960 347 1HA GLY 43 2HA GLY 43 -6.066 -7.215 -3.494 348 2HA GLY 43 1HA GLY 43 -7.819 -7.267 -3.710 349 H GLU 44 H GLU 44 -7.574 -9.501 -5.677 350 HA GLU 44 HA GLU 44 -7.706 -11.731 -3.810 351 1HB GLU 44 2HB GLU 44 -8.890 -11.260 -6.114 352 2HB GLU 44 1HB GLU 44 -7.421 -11.952 -6.805 353 1HG GLU 44 2HG GLU 44 -8.941 -13.371 -4.618 354 2HG GLU 44 1HG GLU 44 -9.376 -13.570 -6.316 355 H MET 45 H MET 45 -5.382 -10.547 -6.236 356 HA MET 45 HA MET 45 -3.483 -12.729 -5.832 357 1HB MET 45 2HB MET 45 -3.639 -10.115 -7.302 358 2HB MET 45 1HB MET 45 -2.060 -10.875 -7.098 359 1HG MET 45 2HG MET 45 -2.683 -12.789 -8.313 360 2HG MET 45 1HG MET 45 -4.406 -12.471 -8.108 361 1HE MET 45 1HE MET 45 -1.464 -10.830 -11.143 362 2HE MET 45 2HE MET 45 -1.711 -12.517 -10.698 363 3HE MET 45 3HE MET 45 -1.101 -11.377 -9.500 364 H TRP 46 H TRP 46 -3.819 -9.359 -4.707 365 HA TRP 46 HA TRP 46 -1.343 -9.027 -3.367 366 1HB TRP 46 2HB TRP 46 -2.963 -7.241 -3.722 367 2HB TRP 46 1HB TRP 46 -4.149 -8.048 -2.705 368 HD1 TRP 46 HD TRP 46 -4.263 -6.963 -0.400 369 HE1 TRP 46 1HE TRP 46 -2.573 -5.874 1.217 370 HE3 TRP 46 3HE TRP 46 -0.012 -7.384 -3.172 371 HZ2 TRP 46 2HZ TRP 46 0.227 -5.267 1.314 372 HZ3 TRP 46 3HZ TRP 46 2.161 -6.545 -2.303 373 HH2 TRP 46 HH TRP 46 2.276 -5.491 -0.066 374 H SER 47 H SER 47 -4.413 -10.386 -2.092 375 HA SER 47 HA SER 47 -3.339 -11.081 0.501 376 1HB SER 47 2HB SER 47 -5.758 -10.742 -0.182 377 2HB SER 47 1HB SER 47 -5.675 -12.298 -1.004 378 HG SER 47 HG SER 47 -5.715 -11.687 1.707 379 H GLU 48 H GLU 48 -2.774 -12.433 -2.585 380 HA GLU 48 HA GLU 48 -2.196 -15.142 -1.501 381 1HB GLU 48 2HB GLU 48 -2.611 -13.943 -4.253 382 2HB GLU 48 1HB GLU 48 -2.044 -15.596 -4.015 383 1HG GLU 48 2HG GLU 48 -4.515 -14.666 -2.584 384 2HG GLU 48 1HG GLU 48 -4.619 -15.143 -4.279 385 H GLN 49 H GLN 49 -0.688 -12.184 -2.477 386 HA GLN 49 HA GLN 49 1.801 -13.192 -3.489 387 1HB GLN 49 2HB GLN 49 0.601 -10.677 -2.556 388 2HB GLN 49 1HB GLN 49 2.319 -10.775 -2.181 389 1HG GLN 49 2HG GLN 49 2.250 -9.833 -4.351 390 2HG GLN 49 1HG GLN 49 2.625 -11.534 -4.628 391 1HE2 GLN 49 1HE2 GLN 49 1.190 -12.700 -5.951 392 2HE2 GLN 49 2HE2 GLN 49 -0.318 -12.118 -6.470 393 H SER 50 H SER 50 3.698 -13.725 -2.371 394 HA SER 50 HA SER 50 3.368 -14.368 0.507 395 1HB SER 50 2HB SER 50 5.353 -15.779 0.071 396 2HB SER 50 1HB SER 50 4.110 -16.076 -1.142 397 HG SER 50 HG SER 50 5.787 -15.700 -2.405 398 H ALA 51 H ALA 51 6.673 -13.951 -0.255 399 HA ALA 51 HA ALA 51 6.668 -11.304 1.125 400 1HB ALA 51 1HB ALA 51 8.618 -13.599 0.850 401 2HB ALA 51 2HB ALA 51 7.897 -12.952 2.324 402 3HB ALA 51 3HB ALA 51 9.131 -12.028 1.466 403 H LYS 52 H LYS 52 7.281 -12.802 -1.929 404 HA LYS 52 HA LYS 52 9.359 -11.115 -2.961 405 1HB LYS 52 2HB LYS 52 8.318 -13.313 -3.846 406 2HB LYS 52 1HB LYS 52 7.067 -12.286 -4.547 407 1HG LYS 52 2HG LYS 52 8.706 -11.062 -5.840 408 2HG LYS 52 1HG LYS 52 10.033 -11.894 -5.030 409 1HD LYS 52 2HD LYS 52 8.055 -13.697 -6.282 410 2HD LYS 52 1HD LYS 52 8.938 -12.682 -7.422 411 1HE LYS 52 2HE LYS 52 10.224 -14.718 -7.124 412 2HE LYS 52 1HE LYS 52 11.081 -13.432 -6.251 413 1HZ LYS 52 1HZ LYS 52 10.116 -14.097 -4.217 414 2HZ LYS 52 2HZ LYS 52 10.671 -15.528 -4.946 415 3HZ LYS 52 3HZ LYS 52 9.017 -15.141 -4.980 416 H ASP 53 H ASP 53 5.792 -10.854 -3.168 417 HA ASP 53 HA ASP 53 6.138 -7.952 -3.852 418 1HB ASP 53 2HB ASP 53 4.588 -10.175 -5.055 419 2HB ASP 53 1HB ASP 53 3.736 -8.639 -4.914 420 H LYS 54 H LYS 54 5.989 -8.331 -1.255 421 HA LYS 54 HA LYS 54 3.445 -7.202 -0.436 422 1HB LYS 54 2HB LYS 54 3.433 -9.893 -0.785 423 2HB LYS 54 1HB LYS 54 3.940 -9.794 0.896 424 1HG LYS 54 2HG LYS 54 1.962 -8.118 1.155 425 2HG LYS 54 1HG LYS 54 1.399 -8.785 -0.372 426 1HD LYS 54 2HD LYS 54 0.317 -10.165 1.157 427 2HD LYS 54 1HD LYS 54 1.779 -11.090 0.819 428 1HE LYS 54 2HE LYS 54 1.691 -11.093 3.184 429 2HE LYS 54 1HE LYS 54 2.789 -9.741 2.837 430 1HZ LYS 54 1HZ LYS 54 0.902 -8.236 2.875 431 2HZ LYS 54 2HZ LYS 54 1.018 -9.065 4.354 432 3HZ LYS 54 3HZ LYS 54 -0.153 -9.520 3.210 433 H GLN 55 H GLN 55 6.505 -8.747 0.505 434 HA GLN 55 HA GLN 55 6.496 -7.783 3.244 435 1HB GLN 55 2HB GLN 55 8.319 -9.151 1.336 436 2HB GLN 55 1HB GLN 55 9.096 -8.290 2.663 437 1HG GLN 55 2HG GLN 55 6.859 -10.304 3.016 438 2HG GLN 55 1HG GLN 55 8.571 -10.676 3.215 439 1HE2 GLN 55 1HE2 GLN 55 5.791 -9.318 4.782 440 2HE2 GLN 55 2HE2 GLN 55 6.574 -8.810 6.199 441 HA PRO 56 HA PRO 56 9.421 -4.390 1.570 442 1HB PRO 56 2HB PRO 56 9.700 -4.085 -1.132 443 2HB PRO 56 1HB PRO 56 10.743 -5.148 -0.169 444 1HG PRO 56 2HG PRO 56 8.415 -5.834 -1.891 445 2HG PRO 56 1HG PRO 56 9.945 -6.694 -1.668 446 1HD PRO 56 2HD PRO 56 7.613 -7.436 -0.488 447 2HD PRO 56 1HD PRO 56 9.212 -7.781 0.203 448 H TYR 57 H TYR 57 6.299 -5.114 0.411 449 HA TYR 57 HA TYR 57 5.716 -2.445 -0.691 450 1HB TYR 57 2HB TYR 57 4.210 -5.023 -0.198 451 2HB TYR 57 1HB TYR 57 3.390 -3.571 -0.772 452 HD1 TYR 57 1HD TYR 57 3.214 -3.253 -3.066 453 HD2 TYR 57 2HD TYR 57 6.462 -5.607 -1.535 454 HE1 TYR 57 1HE TYR 57 3.955 -3.735 -5.383 455 HE2 TYR 57 2HE TYR 57 7.205 -6.088 -3.850 456 HH TYR 57 HH TYR 57 5.340 -5.696 -6.496 457 H GLU 58 H GLU 58 5.172 -4.311 2.265 458 HA GLU 58 HA GLU 58 3.411 -2.253 3.432 459 1HB GLU 58 2HB GLU 58 3.400 -3.845 5.344 460 2HB GLU 58 1HB GLU 58 3.023 -4.644 3.821 461 1HG GLU 58 2HG GLU 58 4.853 -5.966 3.946 462 2HG GLU 58 1HG GLU 58 5.898 -4.605 4.349 463 H GLN 59 H GLN 59 6.833 -3.005 3.418 464 HA GLN 59 HA GLN 59 7.375 -1.419 5.855 465 1HB GLN 59 2HB GLN 59 9.192 -2.732 3.813 466 2HB GLN 59 1HB GLN 59 9.701 -2.094 5.371 467 1HG GLN 59 2HG GLN 59 7.780 -4.399 4.916 468 2HG GLN 59 1HG GLN 59 9.426 -4.522 5.527 469 1HE2 GLN 59 1HE2 GLN 59 9.216 -2.131 7.278 470 2HE2 GLN 59 2HE2 GLN 59 8.191 -2.566 8.556 471 H LYS 60 H LYS 60 6.856 -0.790 2.551 472 HA LYS 60 HA LYS 60 8.678 1.555 2.443 473 1HB LYS 60 2HB LYS 60 8.266 -0.207 0.585 474 2HB LYS 60 1HB LYS 60 6.710 0.593 0.357 475 1HG LYS 60 2HG LYS 60 8.142 2.782 0.251 476 2HG LYS 60 1HG LYS 60 9.476 1.681 -0.096 477 1HD LYS 60 2HD LYS 60 7.865 0.658 -1.868 478 2HD LYS 60 1HD LYS 60 6.974 2.171 -1.700 479 1HE LYS 60 2HE LYS 60 9.959 2.160 -2.202 480 2HE LYS 60 1HE LYS 60 8.788 2.113 -3.535 481 1HZ LYS 60 1HZ LYS 60 8.811 4.113 -1.336 482 2HZ LYS 60 2HZ LYS 60 7.702 4.061 -2.623 483 3HZ LYS 60 3HZ LYS 60 9.341 4.400 -2.921 484 H ALA 61 H ALA 61 5.301 0.657 2.783 485 HA ALA 61 HA ALA 61 4.378 3.470 2.562 486 1HB ALA 61 1HB ALA 61 2.226 2.465 2.398 487 2HB ALA 61 2HB ALA 61 2.768 0.991 3.201 488 3HB ALA 61 3HB ALA 61 3.288 1.339 1.552 489 H ALA 62 H ALA 62 4.981 0.923 4.914 490 HA ALA 62 HA ALA 62 3.507 2.044 7.125 491 1HB ALA 62 1HB ALA 62 4.215 -0.278 7.079 492 2HB ALA 62 2HB ALA 62 5.050 0.506 8.420 493 3HB ALA 62 3HB ALA 62 5.906 0.194 6.909 494 H LYS 63 H LYS 63 6.939 2.420 6.047 495 HA LYS 63 HA LYS 63 7.524 4.237 8.279 496 1HB LYS 63 2HB LYS 63 9.089 2.571 7.128 497 2HB LYS 63 1HB LYS 63 9.111 3.683 5.759 498 1HG LYS 63 2HG LYS 63 10.941 4.472 6.935 499 2HG LYS 63 1HG LYS 63 9.671 5.462 7.653 500 1HD LYS 63 2HD LYS 63 9.496 3.992 9.555 501 2HD LYS 63 1HD LYS 63 10.556 2.802 8.800 502 1HE LYS 63 2HE LYS 63 12.477 4.167 9.070 503 2HE LYS 63 1HE LYS 63 11.502 5.624 9.355 504 1HZ LYS 63 1HZ LYS 63 11.585 3.217 11.100 505 2HZ LYS 63 2HZ LYS 63 10.608 4.584 11.354 506 3HZ LYS 63 3HZ LYS 63 12.299 4.716 11.449 507 H LEU 64 H LEU 64 5.959 4.534 5.264 508 HA LEU 64 HA LEU 64 6.828 7.325 4.774 509 1HB LEU 64 2HB LEU 64 5.584 5.097 3.321 510 2HB LEU 64 1HB LEU 64 4.775 6.635 3.016 511 HG LEU 64 HG LEU 64 7.774 6.251 2.815 512 1HD1 LEU 64 1HD1 LEU 64 6.989 6.624 0.268 513 2HD1 LEU 64 2HD1 LEU 64 5.563 5.784 0.874 514 3HD1 LEU 64 3HD1 LEU 64 7.148 5.018 0.978 515 1HD2 LEU 64 1HD2 LEU 64 5.870 8.456 1.961 516 2HD2 LEU 64 2HD2 LEU 64 7.579 8.400 1.533 517 3HD2 LEU 64 3HD2 LEU 64 7.100 8.557 3.222 518 H LYS 65 H LYS 65 4.187 5.471 6.143 519 HA LYS 65 HA LYS 65 2.159 7.527 6.103 520 1HB LYS 65 2HB LYS 65 1.626 5.169 6.377 521 2HB LYS 65 1HB LYS 65 2.665 5.045 7.796 522 1HG LYS 65 2HG LYS 65 1.187 6.575 9.031 523 2HG LYS 65 1HG LYS 65 0.173 6.775 7.601 524 1HD LYS 65 2HD LYS 65 -0.390 4.391 7.633 525 2HD LYS 65 1HD LYS 65 0.678 4.140 9.015 526 1HE LYS 65 2HE LYS 65 -0.708 5.577 10.416 527 2HE LYS 65 1HE LYS 65 -1.732 5.993 9.028 528 1HZ LYS 65 1HZ LYS 65 -2.246 3.646 8.749 529 2HZ LYS 65 2HZ LYS 65 -2.699 4.170 10.300 530 3HZ LYS 65 3HZ LYS 65 -1.286 3.252 10.090 531 H GLU 66 H GLU 66 4.593 6.478 8.486 532 HA GLU 66 HA GLU 66 3.919 8.259 10.612 533 1HB GLU 66 2HB GLU 66 5.514 6.271 10.576 534 2HB GLU 66 1HB GLU 66 6.689 7.330 9.796 535 1HG GLU 66 2HG GLU 66 6.700 8.828 11.692 536 2HG GLU 66 1HG GLU 66 5.362 7.959 12.445 537 H LYS 67 H LYS 67 5.860 8.715 7.687 538 HA LYS 67 HA LYS 67 6.987 11.282 8.383 539 1HB LYS 67 2HB LYS 67 7.663 9.592 6.566 540 2HB LYS 67 1HB LYS 67 6.329 10.245 5.614 541 1HG LYS 67 2HG LYS 67 7.317 12.522 5.856 542 2HG LYS 67 1HG LYS 67 8.690 11.806 6.701 543 1HD LYS 67 2HD LYS 67 7.880 10.794 3.984 544 2HD LYS 67 1HD LYS 67 8.898 12.227 4.137 545 1HE LYS 67 2HE LYS 67 10.653 11.018 5.170 546 2HE LYS 67 1HE LYS 67 9.587 9.661 5.586 547 1HZ LYS 67 1HZ LYS 67 10.320 10.526 2.837 548 2HZ LYS 67 2HZ LYS 67 9.241 9.268 3.214 549 3HZ LYS 67 3HZ LYS 67 10.885 9.132 3.621 550 H TYR 68 H TYR 68 3.896 10.251 7.072 551 HA TYR 68 HA TYR 68 3.023 12.798 6.021 552 1HB TYR 68 2HB TYR 68 2.153 10.370 5.685 553 2HB TYR 68 1HB TYR 68 1.256 10.635 7.176 554 HD1 TYR 68 1HD TYR 68 -0.978 11.090 6.722 555 HD2 TYR 68 2HD TYR 68 2.051 12.802 4.203 556 HE1 TYR 68 1HE TYR 68 -2.725 12.306 5.450 557 HE2 TYR 68 2HE TYR 68 0.303 14.020 2.935 558 HH TYR 68 HH TYR 68 -2.134 14.860 3.504 559 H GLU 69 H GLU 69 2.931 11.262 9.185 560 HA GLU 69 HA GLU 69 1.081 12.945 10.539 561 1HB GLU 69 2HB GLU 69 3.612 11.576 11.514 562 2HB GLU 69 1HB GLU 69 2.309 12.153 12.554 563 1HG GLU 69 2HG GLU 69 0.780 10.677 11.027 564 2HG GLU 69 1HG GLU 69 2.288 9.871 10.594 565 H LYS 70 H LYS 70 4.581 13.342 9.974 566 HA LYS 70 HA LYS 70 4.713 15.881 11.445 567 1HB LYS 70 2HB LYS 70 6.535 14.137 9.796 568 2HB LYS 70 1HB LYS 70 7.036 15.782 10.192 569 1HG LYS 70 2HG LYS 70 7.899 14.564 11.994 570 2HG LYS 70 1HG LYS 70 6.352 15.124 12.633 571 1HD LYS 70 2HD LYS 70 5.331 13.021 12.345 572 2HD LYS 70 1HD LYS 70 6.563 12.478 11.205 573 1HE LYS 70 2HE LYS 70 8.200 12.802 13.246 574 2HE LYS 70 1HE LYS 70 6.712 12.652 14.203 575 1HZ LYS 70 1HZ LYS 70 6.173 10.637 12.960 576 2HZ LYS 70 2HZ LYS 70 7.655 10.472 13.775 577 3HZ LYS 70 3HZ LYS 70 7.630 10.761 12.100 578 H ASP 71 H ASP 71 4.430 14.760 8.124 579 HA ASP 71 HA ASP 71 4.839 17.299 6.803 580 1HB ASP 71 2HB ASP 71 3.906 14.555 6.219 581 2HB ASP 71 1HB ASP 71 3.208 15.784 5.173 582 H ILE 72 H ILE 72 1.885 15.469 7.640 583 HA ILE 72 HA ILE 72 0.014 17.530 6.909 584 HB ILE 72 HB ILE 72 -0.025 15.114 8.744 585 1HG1 ILE 72 2HG1 ILE 72 0.144 14.749 6.299 586 2HG1 ILE 72 1HG1 ILE 72 -1.384 14.154 6.941 587 1HG2 ILE 72 1HG2 ILE 72 -1.738 16.417 9.729 588 2HG2 ILE 72 2HG2 ILE 72 -2.599 15.422 8.555 589 3HG2 ILE 72 3HG2 ILE 72 -2.228 17.105 8.180 590 1HD1 ILE 72 1HD1 ILE 72 -2.503 15.476 5.503 591 2HD1 ILE 72 2HD1 ILE 72 -0.977 16.079 4.863 592 3HD1 ILE 72 3HD1 ILE 72 -1.750 16.901 6.217 593 H ALA 73 H ALA 73 1.795 16.830 9.900 594 HA ALA 73 HA ALA 73 0.477 18.493 11.753 595 1HB ALA 73 1HB ALA 73 2.265 17.043 12.422 596 2HB ALA 73 2HB ALA 73 2.834 18.683 12.736 597 3HB ALA 73 3HB ALA 73 3.393 17.814 11.308 598 H ALA 74 H ALA 74 2.906 19.400 9.306 599 HA ALA 74 HA ALA 74 3.000 22.209 10.098 600 1HB ALA 74 1HB ALA 74 4.357 22.377 8.031 601 2HB ALA 74 2HB ALA 74 3.860 20.748 7.578 602 3HB ALA 74 3HB ALA 74 4.860 20.999 9.009 603 H TYR 75 H TYR 75 0.866 20.287 8.169 604 HA TYR 75 HA TYR 75 -0.257 22.701 6.806 605 1HB TYR 75 2HB TYR 75 0.476 20.748 5.446 606 2HB TYR 75 1HB TYR 75 -0.661 19.729 6.327 607 HD1 TYR 75 1HD TYR 75 -2.810 19.443 5.454 608 HD2 TYR 75 2HD TYR 75 -0.568 22.953 4.410 609 HE1 TYR 75 1HE TYR 75 -4.622 20.140 3.910 610 HE2 TYR 75 2HE TYR 75 -2.378 23.652 2.866 611 HH TYR 75 HH TYR 75 -5.204 22.929 2.904 612 H ARG 76 H ARG 76 -0.724 20.827 9.535 613 HA ARG 76 HA ARG 76 -3.641 20.621 9.506 614 1HB ARG 76 2HB ARG 76 -1.583 19.356 10.776 615 2HB ARG 76 1HB ARG 76 -2.141 20.436 12.054 616 1HG ARG 76 2HG ARG 76 -4.145 18.841 10.483 617 2HG ARG 76 1HG ARG 76 -3.250 18.069 11.793 618 1HD ARG 76 2HD ARG 76 -4.719 20.694 12.171 619 2HD ARG 76 1HD ARG 76 -5.473 19.119 12.485 620 HE ARG 76 HE ARG 76 -3.253 20.304 14.031 621 1HH1 ARG 76 1HH1 ARG 76 -2.393 17.545 13.586 622 2HH1 ARG 76 2HH1 ARG 76 -3.197 16.664 14.843 623 1HH2 ARG 76 1HH2 ARG 76 -5.495 19.177 15.500 624 2HH2 ARG 76 2HH2 ARG 76 -4.952 17.587 15.926 625 H ALA 77 H ALA 77 -3.196 23.281 9.016 626 HA ALA 77 HA ALA 77 -3.730 25.443 9.780 627 1HB ALA 77 1HB ALA 77 -4.853 24.134 12.252 628 2HB ALA 77 2HB ALA 77 -5.623 23.868 10.687 629 3HB ALA 77 3HB ALA 77 -5.492 25.501 11.339 630 H LYS 78 H LYS 78 -1.138 24.917 10.216 631 HA LYS 78 HA LYS 78 -0.153 24.885 12.888 632 1HB LYS 78 2HB LYS 78 1.894 25.832 11.809 633 2HB LYS 78 1HB LYS 78 1.216 24.490 10.890 634 1HG LYS 78 2HG LYS 78 0.367 25.894 9.214 635 2HG LYS 78 1HG LYS 78 0.391 27.315 10.257 636 1HD LYS 78 2HD LYS 78 2.888 27.221 10.257 637 2HD LYS 78 1HD LYS 78 2.805 25.885 9.108 638 1HE LYS 78 2HE LYS 78 2.122 27.248 7.363 639 2HE LYS 78 1HE LYS 78 1.305 28.395 8.444 640 1HZ LYS 78 1HZ LYS 78 4.242 28.001 8.216 641 2HZ LYS 78 2HZ LYS 78 3.477 29.053 9.309 642 3HZ LYS 78 3HZ LYS 78 3.374 29.338 7.637 Start of MODEL 22 1 1H MET 1 1HT MET 1 -9.923 14.068 -2.335 2 2H MET 1 2HT MET 1 -10.947 13.740 -1.019 3 3H MET 1 3HT MET 1 -9.468 12.917 -1.176 4 HA MET 1 HA MET 1 -9.794 15.831 -0.649 5 1HB MET 1 2HB MET 1 -9.237 13.350 0.961 6 2HB MET 1 1HB MET 1 -8.599 14.903 1.503 7 1HG MET 1 2HG MET 1 -10.826 15.864 1.558 8 2HG MET 1 1HG MET 1 -11.515 14.407 0.843 9 1HE MET 1 1HE MET 1 -11.574 11.770 3.355 10 2HE MET 1 2HE MET 1 -11.406 12.241 1.665 11 3HE MET 1 3HE MET 1 -12.832 12.737 2.573 12 H LYS 2 H LYS 2 -8.185 16.713 -1.943 13 HA LYS 2 HA LYS 2 -5.579 15.309 -2.223 14 1HB LYS 2 2HB LYS 2 -6.919 17.703 -3.503 15 2HB LYS 2 1HB LYS 2 -5.245 17.267 -3.848 16 1HG LYS 2 2HG LYS 2 -7.486 15.259 -4.104 17 2HG LYS 2 1HG LYS 2 -7.042 16.328 -5.436 18 1HD LYS 2 2HD LYS 2 -4.719 15.492 -5.332 19 2HD LYS 2 1HD LYS 2 -5.172 14.411 -4.012 20 1HE LYS 2 2HE LYS 2 -6.768 13.246 -5.480 21 2HE LYS 2 1HE LYS 2 -6.358 14.348 -6.811 22 1HZ LYS 2 1HZ LYS 2 -4.046 13.672 -6.614 23 2HZ LYS 2 2HZ LYS 2 -5.031 12.323 -6.923 24 3HZ LYS 2 3HZ LYS 2 -4.440 12.605 -5.355 25 H LYS 3 H LYS 3 -3.627 16.924 -2.155 26 HA LYS 3 HA LYS 3 -3.939 18.883 0.086 27 1HB LYS 3 2HB LYS 3 -2.032 16.559 -0.231 28 2HB LYS 3 1HB LYS 3 -1.672 17.904 0.852 29 1HG LYS 3 2HG LYS 3 -4.317 16.464 0.997 30 2HG LYS 3 1HG LYS 3 -2.900 15.852 1.850 31 1HD LYS 3 2HD LYS 3 -2.647 18.122 2.911 32 2HD LYS 3 1HD LYS 3 -4.191 18.572 2.184 33 1HE LYS 3 2HE LYS 3 -5.401 17.017 3.496 34 2HE LYS 3 1HE LYS 3 -3.938 16.097 3.906 35 1HZ LYS 3 1HZ LYS 3 -4.605 17.581 5.720 36 2HZ LYS 3 2HZ LYS 3 -4.461 18.919 4.683 37 3HZ LYS 3 3HZ LYS 3 -3.087 18.007 5.093 38 H ASP 4 H ASP 4 -3.812 19.569 -2.647 39 HA ASP 4 HA ASP 4 -2.632 20.955 -4.147 40 1HB ASP 4 2HB ASP 4 -1.609 21.540 -1.399 41 2HB ASP 4 1HB ASP 4 -0.730 22.239 -2.757 42 HA PRO 5 HA PRO 5 1.009 18.840 -5.440 43 1HB PRO 5 2HB PRO 5 2.436 20.762 -6.755 44 2HB PRO 5 1HB PRO 5 0.933 20.073 -7.395 45 1HG PRO 5 2HG PRO 5 1.409 22.691 -6.105 46 2HG PRO 5 1HG PRO 5 0.256 22.245 -7.369 47 1HD PRO 5 2HD PRO 5 -0.350 22.605 -4.681 48 2HD PRO 5 1HD PRO 5 -1.359 21.746 -5.863 49 H ASN 6 H ASN 6 1.757 22.011 -3.979 50 HA ASN 6 HA ASN 6 4.491 21.418 -3.287 51 1HB ASN 6 2HB ASN 6 2.390 23.395 -2.396 52 2HB ASN 6 1HB ASN 6 3.989 23.377 -1.653 53 1HD2 ASN 6 1HD2 ASN 6 5.795 23.098 -3.597 54 2HD2 ASN 6 2HD2 ASN 6 5.602 24.231 -4.846 55 H ALA 7 H ALA 7 1.422 21.110 -1.495 56 HA ALA 7 HA ALA 7 2.731 20.168 0.954 57 1HB ALA 7 1HB ALA 7 0.741 21.057 1.585 58 2HB ALA 7 2HB ALA 7 0.029 19.532 1.062 59 3HB ALA 7 3HB ALA 7 0.072 20.908 -0.040 60 HA PRO 8 HA PRO 8 2.725 15.919 -0.099 61 1HB PRO 8 2HB PRO 8 2.595 14.755 2.352 62 2HB PRO 8 1HB PRO 8 4.049 15.506 1.675 63 1HG PRO 8 2HG PRO 8 2.307 16.445 3.801 64 2HG PRO 8 1HG PRO 8 3.947 16.893 3.352 65 1HD PRO 8 2HD PRO 8 1.566 18.360 2.830 66 2HD PRO 8 1HD PRO 8 3.234 18.771 2.382 67 H LYS 9 H LYS 9 1.240 14.266 -0.599 68 HA LYS 9 HA LYS 9 -1.563 14.688 0.324 69 1HB LYS 9 2HB LYS 9 -0.285 13.064 -1.902 70 2HB LYS 9 1HB LYS 9 -2.024 13.156 -1.613 71 1HG LYS 9 2HG LYS 9 -2.119 15.445 -2.172 72 2HG LYS 9 1HG LYS 9 -0.380 15.657 -1.968 73 1HD LYS 9 2HD LYS 9 -0.123 13.988 -3.912 74 2HD LYS 9 1HD LYS 9 -1.839 14.266 -4.214 75 1HE LYS 9 2HE LYS 9 0.004 16.628 -3.907 76 2HE LYS 9 1HE LYS 9 -0.088 15.773 -5.461 77 1HZ LYS 9 1HZ LYS 9 -1.770 17.515 -5.327 78 2HZ LYS 9 2HZ LYS 9 -2.408 16.813 -3.918 79 3HZ LYS 9 3HZ LYS 9 -2.494 15.983 -5.398 80 H ARG 10 H ARG 10 -2.801 12.493 0.588 81 HA ARG 10 HA ARG 10 -1.997 11.089 2.837 82 1HB ARG 10 2HB ARG 10 -3.642 10.291 0.430 83 2HB ARG 10 1HB ARG 10 -3.532 9.274 1.867 84 1HG ARG 10 2HG ARG 10 -4.063 11.798 2.914 85 2HG ARG 10 1HG ARG 10 -5.044 11.751 1.450 86 1HD ARG 10 2HD ARG 10 -5.048 9.568 3.566 87 2HD ARG 10 1HD ARG 10 -6.269 10.849 3.439 88 HE ARG 10 HE ARG 10 -6.547 9.981 1.006 89 1HH1 ARG 10 1HH1 ARG 10 -6.994 8.300 3.825 90 2HH1 ARG 10 2HH1 ARG 10 -6.962 6.718 3.120 91 1HH2 ARG 10 1HH2 ARG 10 -5.884 7.833 0.018 92 2HH2 ARG 10 2HH2 ARG 10 -6.334 6.454 0.965 93 HA PRO 11 HA PRO 11 1.410 8.621 1.353 94 1HB PRO 11 2HB PRO 11 1.680 6.964 3.514 95 2HB PRO 11 1HB PRO 11 2.229 8.651 3.517 96 1HG PRO 11 2HG PRO 11 -0.215 7.452 4.702 97 2HG PRO 11 1HG PRO 11 0.808 8.765 5.305 98 1HD PRO 11 2HD PRO 11 -1.609 9.135 4.065 99 2HD PRO 11 1HD PRO 11 -0.315 10.352 4.124 100 HA PRO 12 HA PRO 12 -0.273 4.846 -0.194 101 1HB PRO 12 2HB PRO 12 1.710 2.986 0.169 102 2HB PRO 12 1HB PRO 12 1.789 4.257 -1.066 103 1HG PRO 12 2HG PRO 12 3.075 4.147 1.619 104 2HG PRO 12 1HG PRO 12 3.728 4.725 0.078 105 1HD PRO 12 2HD PRO 12 2.823 6.399 2.001 106 2HD PRO 12 1HD PRO 12 2.721 6.781 0.268 107 H SER 13 H SER 13 -0.208 2.226 0.579 108 HA SER 13 HA SER 13 -0.448 1.918 3.481 109 1HB SER 13 2HB SER 13 -2.486 3.187 2.826 110 2HB SER 13 1HB SER 13 -2.912 1.887 1.715 111 HG SER 13 HG SER 13 -3.897 1.788 3.855 112 H ALA 14 H ALA 14 1.020 0.492 1.420 113 HA ALA 14 HA ALA 14 1.557 -1.741 0.963 114 1HB ALA 14 1HB ALA 14 -0.837 -2.931 2.202 115 2HB ALA 14 2HB ALA 14 0.067 -1.876 3.288 116 3HB ALA 14 3HB ALA 14 0.868 -3.248 2.523 117 H PHE 15 H PHE 15 -2.038 -1.855 1.020 118 HA PHE 15 HA PHE 15 -2.262 -3.267 -1.444 119 1HB PHE 15 2HB PHE 15 -4.013 -3.025 0.311 120 2HB PHE 15 1HB PHE 15 -4.199 -1.328 -0.132 121 HD1 PHE 15 1HD PHE 15 -4.887 -0.754 -2.519 122 HD2 PHE 15 2HD PHE 15 -5.111 -4.736 -0.921 123 HE1 PHE 15 1HE PHE 15 -6.443 -1.396 -4.339 124 HE2 PHE 15 2HE PHE 15 -6.669 -5.377 -2.742 125 HZ PHE 15 HZ PHE 15 -7.334 -3.707 -4.453 126 H PHE 16 H PHE 16 -1.743 0.144 -0.814 127 HA PHE 16 HA PHE 16 -2.658 1.082 -3.412 128 1HB PHE 16 2HB PHE 16 -2.466 2.379 -1.223 129 2HB PHE 16 1HB PHE 16 -0.721 2.395 -1.484 130 HD1 PHE 16 1HD PHE 16 0.280 3.701 -3.280 131 HD2 PHE 16 2HD PHE 16 -3.978 3.610 -2.718 132 HE1 PHE 16 1HE PHE 16 0.037 5.639 -4.809 133 HE2 PHE 16 2HE PHE 16 -4.220 5.547 -4.247 134 HZ PHE 16 HZ PHE 16 -2.213 6.561 -5.292 135 H LEU 17 H LEU 17 0.439 0.002 -2.084 136 HA LEU 17 HA LEU 17 2.085 0.881 -4.301 137 1HB LEU 17 2HB LEU 17 2.297 -1.280 -2.185 138 2HB LEU 17 1HB LEU 17 3.593 -0.960 -3.337 139 HG LEU 17 HG LEU 17 3.161 1.556 -2.513 140 1HD1 LEU 17 1HD1 LEU 17 1.459 1.264 -0.926 141 2HD1 LEU 17 2HD1 LEU 17 2.912 1.278 0.070 142 3HD1 LEU 17 3HD1 LEU 17 2.137 -0.253 -0.335 143 1HD2 LEU 17 1HD2 LEU 17 4.763 -0.518 -0.988 144 2HD2 LEU 17 2HD2 LEU 17 5.029 1.225 -0.932 145 3HD2 LEU 17 3HD2 LEU 17 5.302 0.338 -2.432 146 H PHE 18 H PHE 18 1.326 -2.466 -3.452 147 HA PHE 18 HA PHE 18 1.704 -3.883 -5.756 148 1HB PHE 18 2HB PHE 18 0.837 -4.863 -3.705 149 2HB PHE 18 1HB PHE 18 -0.686 -3.992 -3.885 150 HD1 PHE 18 1HD PHE 18 1.454 -6.652 -5.371 151 HD2 PHE 18 2HD PHE 18 -2.434 -4.830 -5.277 152 HE1 PHE 18 1HE PHE 18 0.542 -8.527 -6.713 153 HE2 PHE 18 2HE PHE 18 -3.346 -6.705 -6.618 154 HZ PHE 18 HZ PHE 18 -1.859 -8.554 -7.335 155 H CYS 19 H CYS 19 -1.480 -2.239 -5.153 156 HA CYS 19 HA CYS 19 -2.506 -2.688 -7.777 157 1HB CYS 19 2HB CYS 19 -3.808 -2.038 -5.762 158 2HB CYS 19 1HB CYS 19 -3.047 -0.448 -5.798 159 HG CYS 19 HG CYS 19 -5.496 -0.818 -7.169 160 H SER 20 H SER 20 -0.769 0.105 -6.404 161 HA SER 20 HA SER 20 -0.861 1.836 -8.646 162 1HB SER 20 2HB SER 20 -0.089 2.548 -6.466 163 2HB SER 20 1HB SER 20 1.234 1.388 -6.502 164 HG SER 20 HG SER 20 0.880 3.768 -7.962 165 H GLU 21 H GLU 21 1.316 -0.905 -7.989 166 HA GLU 21 HA GLU 21 2.942 -0.297 -10.375 167 1HB GLU 21 2HB GLU 21 4.237 -2.256 -9.591 168 2HB GLU 21 1HB GLU 21 3.962 -1.103 -8.288 169 1HG GLU 21 2HG GLU 21 2.334 -2.463 -7.264 170 2HG GLU 21 1HG GLU 21 2.076 -3.413 -8.727 171 H HIS 22 H HIS 22 0.263 -2.440 -9.504 172 HA HIS 22 HA HIS 22 0.600 -3.949 -12.053 173 1HB HIS 22 2HB HIS 22 -1.043 -4.292 -9.532 174 2HB HIS 22 1HB HIS 22 -1.249 -5.325 -10.946 175 HD1 HIS 22 1HD HIS 22 1.226 -6.343 -11.832 176 HD2 HIS 22 2HD HIS 22 0.843 -5.312 -7.812 177 HE1 HIS 22 1HE HIS 22 3.077 -7.558 -10.603 178 H ARG 23 H ARG 23 -0.543 -1.065 -11.617 179 HA ARG 23 HA ARG 23 -3.344 -1.372 -12.464 180 1HB ARG 23 2HB ARG 23 -2.603 0.366 -10.872 181 2HB ARG 23 1HB ARG 23 -1.562 1.060 -12.110 182 1HG ARG 23 2HG ARG 23 -3.335 1.907 -13.331 183 2HG ARG 23 1HG ARG 23 -4.450 0.661 -12.769 184 1HD ARG 23 2HD ARG 23 -5.176 2.597 -11.611 185 2HD ARG 23 1HD ARG 23 -4.132 1.795 -10.421 186 HE ARG 23 HE ARG 23 -2.276 3.295 -11.257 187 1HH1 ARG 23 1HH2 ARG 23 -4.754 4.721 -9.949 188 2HH1 ARG 23 2HH2 ARG 23 -4.840 6.126 -10.959 189 1HH2 ARG 23 1HH1 ARG 23 -2.731 4.831 -13.388 190 2HH2 ARG 23 2HH1 ARG 23 -3.693 6.188 -12.907 191 HA PRO 24 HA PRO 24 -1.546 0.418 -16.494 192 1HB PRO 24 2HB PRO 24 1.144 0.282 -16.949 193 2HB PRO 24 1HB PRO 24 0.362 1.677 -16.183 194 1HG PRO 24 2HG PRO 24 1.938 -0.511 -14.965 195 2HG PRO 24 1HG PRO 24 1.808 1.189 -14.494 196 1HD PRO 24 2HD PRO 24 0.527 -0.915 -13.250 197 2HD PRO 24 1HD PRO 24 0.048 0.789 -13.129 198 H LYS 25 H LYS 25 -0.614 -2.511 -14.983 199 HA LYS 25 HA LYS 25 0.219 -3.933 -17.411 200 1HB LYS 25 2HB LYS 25 1.049 -4.449 -15.122 201 2HB LYS 25 1HB LYS 25 -0.591 -4.881 -14.640 202 1HG LYS 25 2HG LYS 25 -0.630 -6.656 -16.358 203 2HG LYS 25 1HG LYS 25 1.016 -6.232 -16.828 204 1HD LYS 25 2HD LYS 25 1.345 -8.022 -15.341 205 2HD LYS 25 1HD LYS 25 1.583 -6.608 -14.314 206 1HE LYS 25 2HE LYS 25 -0.574 -6.823 -13.328 207 2HE LYS 25 1HE LYS 25 -1.123 -7.941 -14.592 208 1HZ LYS 25 1HZ LYS 25 0.594 -9.505 -13.892 209 2HZ LYS 25 2HZ LYS 25 -0.470 -9.161 -12.612 210 3HZ LYS 25 3HZ LYS 25 1.073 -8.450 -12.653 211 H ILE 26 H ILE 26 -2.696 -3.602 -15.407 212 HA ILE 26 HA ILE 26 -4.254 -5.584 -16.851 213 HB ILE 26 HB ILE 26 -5.057 -3.244 -15.078 214 1HG1 ILE 26 2HG1 ILE 26 -3.534 -4.806 -13.945 215 2HG1 ILE 26 1HG1 ILE 26 -5.159 -4.957 -13.291 216 1HG2 ILE 26 1HG2 ILE 26 -6.970 -5.137 -14.719 217 2HG2 ILE 26 2HG2 ILE 26 -6.563 -5.432 -16.410 218 3HG2 ILE 26 3HG2 ILE 26 -7.110 -3.835 -15.900 219 1HD1 ILE 26 1HD1 ILE 26 -4.317 -7.192 -13.621 220 2HD1 ILE 26 2HD1 ILE 26 -3.799 -6.813 -15.263 221 3HD1 ILE 26 3HD1 ILE 26 -5.518 -6.899 -14.878 222 H LYS 27 H LYS 27 -3.264 -2.373 -17.606 223 HA LYS 27 HA LYS 27 -5.604 -1.630 -19.197 224 1HB LYS 27 2HB LYS 27 -2.792 -0.576 -18.812 225 2HB LYS 27 1HB LYS 27 -3.946 0.193 -19.902 226 1HG LYS 27 2HG LYS 27 -5.561 0.200 -17.887 227 2HG LYS 27 1HG LYS 27 -4.133 -0.132 -16.908 228 1HD LYS 27 2HD LYS 27 -3.190 1.939 -17.329 229 2HD LYS 27 1HD LYS 27 -3.999 2.107 -18.887 230 1HE LYS 27 2HE LYS 27 -6.195 2.302 -17.580 231 2HE LYS 27 1HE LYS 27 -5.190 2.496 -16.129 232 1HZ LYS 27 1HZ LYS 27 -5.030 4.129 -18.608 233 2HZ LYS 27 2HZ LYS 27 -3.974 4.266 -17.284 234 3HZ LYS 27 3HZ LYS 27 -5.620 4.649 -17.105 235 H SER 28 H SER 28 -2.709 -3.502 -19.719 236 HA SER 28 HA SER 28 -2.529 -3.157 -22.598 237 1HB SER 28 2HB SER 28 -1.343 -4.797 -20.435 238 2HB SER 28 1HB SER 28 -1.339 -5.553 -22.026 239 HG SER 28 HG SER 28 0.158 -3.509 -21.071 240 H GLU 29 H GLU 29 -3.748 -5.832 -20.544 241 HA GLU 29 HA GLU 29 -4.997 -7.179 -22.835 242 1HB GLU 29 2HB GLU 29 -4.858 -7.605 -19.844 243 2HB GLU 29 1HB GLU 29 -5.801 -8.664 -20.895 244 1HG GLU 29 2HG GLU 29 -2.906 -8.054 -21.485 245 2HG GLU 29 1HG GLU 29 -3.362 -9.357 -20.387 246 H HIS 30 H HIS 30 -5.912 -4.484 -21.093 247 HA HIS 30 HA HIS 30 -8.760 -4.873 -21.807 248 1HB HIS 30 2HB HIS 30 -7.833 -4.037 -19.037 249 2HB HIS 30 1HB HIS 30 -9.499 -4.201 -19.566 250 HD1 HIS 30 1HD HIS 30 -10.537 -6.505 -19.463 251 HD2 HIS 30 2HD HIS 30 -6.412 -6.595 -18.906 252 HE1 HIS 30 1HE HIS 30 -9.967 -8.864 -18.739 253 HA PRO 31 HA PRO 31 -7.127 -0.741 -22.912 254 1HB PRO 31 2HB PRO 31 -8.958 -0.309 -24.919 255 2HB PRO 31 1HB PRO 31 -7.437 -1.194 -25.155 256 1HG PRO 31 2HG PRO 31 -10.189 -2.257 -24.693 257 2HG PRO 31 1HG PRO 31 -8.948 -2.805 -25.833 258 1HD PRO 31 2HD PRO 31 -9.403 -4.089 -23.513 259 2HD PRO 31 1HD PRO 31 -7.767 -3.958 -24.199 260 H GLY 32 H GLY 32 -10.192 -1.911 -21.825 261 1HA GLY 32 2HA GLY 32 -10.802 0.760 -20.708 262 2HA GLY 32 1HA GLY 32 -12.058 -0.044 -21.654 263 H LEU 33 H LEU 33 -9.928 -0.541 -18.797 264 HA LEU 33 HA LEU 33 -11.954 -2.436 -17.681 265 1HB LEU 33 2HB LEU 33 -9.324 -2.835 -18.119 266 2HB LEU 33 1HB LEU 33 -9.199 -2.003 -16.574 267 HG LEU 33 HG LEU 33 -9.291 -4.480 -16.328 268 1HD1 LEU 33 1HD1 LEU 33 -11.839 -3.331 -15.227 269 2HD1 LEU 33 2HD1 LEU 33 -10.271 -2.749 -14.669 270 3HD1 LEU 33 3HD1 LEU 33 -10.705 -4.447 -14.469 271 1HD2 LEU 33 1HD2 LEU 33 -12.204 -4.461 -16.998 272 2HD2 LEU 33 2HD2 LEU 33 -11.041 -5.783 -17.089 273 3HD2 LEU 33 3HD2 LEU 33 -11.058 -4.536 -18.336 274 H SER 34 H SER 34 -12.947 -1.728 -15.641 275 HA SER 34 HA SER 34 -12.197 1.037 -14.826 276 1HB SER 34 2HB SER 34 -14.497 0.815 -13.729 277 2HB SER 34 1HB SER 34 -14.483 0.769 -15.490 278 HG SER 34 HG SER 34 -15.703 -0.929 -14.299 279 H ILE 35 H ILE 35 -13.156 1.071 -12.275 280 HA ILE 35 HA ILE 35 -11.153 -0.474 -10.787 281 HB ILE 35 HB ILE 35 -13.374 1.412 -9.927 282 1HG1 ILE 35 2HG1 ILE 35 -11.757 2.476 -11.459 283 2HG1 ILE 35 1HG1 ILE 35 -11.575 3.107 -9.825 284 1HG2 ILE 35 1HG2 ILE 35 -11.754 1.690 -7.930 285 2HG2 ILE 35 2HG2 ILE 35 -11.038 0.172 -8.475 286 3HG2 ILE 35 3HG2 ILE 35 -12.732 0.223 -7.989 287 1HD1 ILE 35 1HD1 ILE 35 -9.837 1.007 -11.155 288 2HD1 ILE 35 2HD1 ILE 35 -9.702 1.481 -9.462 289 3HD1 ILE 35 3HD1 ILE 35 -9.364 2.653 -10.735 290 H GLY 36 H GLY 36 -14.226 -1.244 -11.943 291 1HA GLY 36 2HA GLY 36 -15.076 -2.766 -9.564 292 2HA GLY 36 1HA GLY 36 -15.984 -2.598 -11.064 293 H ASP 37 H ASP 37 -12.679 -3.389 -11.558 294 HA ASP 37 HA ASP 37 -13.202 -6.314 -11.564 295 1HB ASP 37 2HB ASP 37 -12.783 -4.487 -13.904 296 2HB ASP 37 1HB ASP 37 -12.151 -6.130 -13.992 297 H THR 38 H THR 38 -10.812 -3.837 -12.623 298 HA THR 38 HA THR 38 -8.500 -5.461 -12.236 299 HB THR 38 HB THR 38 -9.068 -2.485 -12.325 300 HG1 THR 38 1HG THR 38 -8.167 -2.719 -14.340 301 1HG2 THR 38 1HG2 THR 38 -6.340 -3.811 -12.164 302 2HG2 THR 38 2HG2 THR 38 -7.042 -2.751 -10.942 303 3HG2 THR 38 3HG2 THR 38 -6.626 -2.109 -12.531 304 H ALA 39 H ALA 39 -10.361 -3.447 -9.990 305 HA ALA 39 HA ALA 39 -8.448 -3.614 -7.792 306 1HB ALA 39 1HB ALA 39 -10.354 -2.664 -6.528 307 2HB ALA 39 2HB ALA 39 -11.428 -3.019 -7.881 308 3HB ALA 39 3HB ALA 39 -10.142 -1.825 -8.064 309 H LYS 40 H LYS 40 -11.031 -5.627 -9.029 310 HA LYS 40 HA LYS 40 -11.296 -7.253 -6.596 311 1HB LYS 40 2HB LYS 40 -12.349 -7.271 -9.423 312 2HB LYS 40 1HB LYS 40 -12.613 -8.662 -8.370 313 1HG LYS 40 2HG LYS 40 -13.569 -7.074 -6.654 314 2HG LYS 40 1HG LYS 40 -13.484 -5.803 -7.874 315 1HD LYS 40 2HD LYS 40 -15.038 -6.921 -9.294 316 2HD LYS 40 1HD LYS 40 -14.913 -8.420 -8.371 317 1HE LYS 40 2HE LYS 40 -15.830 -7.080 -6.370 318 2HE LYS 40 1HE LYS 40 -16.273 -5.841 -7.561 319 1HZ LYS 40 1HZ LYS 40 -17.017 -8.716 -7.705 320 2HZ LYS 40 2HZ LYS 40 -17.436 -7.524 -8.840 321 3HZ LYS 40 3HZ LYS 40 -18.063 -7.457 -7.262 322 H LYS 41 H LYS 41 -9.593 -7.378 -9.685 323 HA LYS 41 HA LYS 41 -8.622 -10.125 -9.298 324 1HB LYS 41 2HB LYS 41 -9.140 -8.753 -11.467 325 2HB LYS 41 1HB LYS 41 -7.524 -8.086 -11.226 326 1HG LYS 41 2HG LYS 41 -6.527 -10.286 -11.309 327 2HG LYS 41 1HG LYS 41 -8.114 -11.056 -11.316 328 1HD LYS 41 2HD LYS 41 -8.552 -9.699 -13.471 329 2HD LYS 41 1HD LYS 41 -6.807 -9.444 -13.505 330 1HE LYS 41 2HE LYS 41 -6.417 -11.868 -13.526 331 2HE LYS 41 1HE LYS 41 -8.164 -12.164 -13.412 332 1HZ LYS 41 1HZ LYS 41 -8.478 -10.896 -15.448 333 2HZ LYS 41 2HZ LYS 41 -7.432 -12.207 -15.721 334 3HZ LYS 41 3HZ LYS 41 -6.807 -10.635 -15.570 335 H LEU 42 H LEU 42 -7.527 -6.884 -8.540 336 HA LEU 42 HA LEU 42 -4.711 -7.602 -8.155 337 1HB LEU 42 2HB LEU 42 -6.491 -5.252 -8.016 338 2HB LEU 42 1HB LEU 42 -5.170 -5.221 -6.853 339 HG LEU 42 HG LEU 42 -3.567 -5.667 -8.702 340 1HD1 LEU 42 1HD1 LEU 42 -4.218 -5.830 -10.935 341 2HD1 LEU 42 2HD1 LEU 42 -5.746 -4.996 -10.655 342 3HD1 LEU 42 3HD1 LEU 42 -5.546 -6.669 -10.133 343 1HD2 LEU 42 1HD2 LEU 42 -3.516 -3.427 -9.436 344 2HD2 LEU 42 2HD2 LEU 42 -4.384 -3.346 -7.903 345 3HD2 LEU 42 3HD2 LEU 42 -5.275 -3.292 -9.422 346 H GLY 43 H GLY 43 -7.393 -6.652 -5.971 347 1HA GLY 43 2HA GLY 43 -6.037 -7.102 -3.522 348 2HA GLY 43 1HA GLY 43 -7.790 -7.185 -3.714 349 H GLU 44 H GLU 44 -7.471 -9.357 -5.779 350 HA GLU 44 HA GLU 44 -7.557 -11.636 -3.961 351 1HB GLU 44 2HB GLU 44 -8.861 -11.241 -6.136 352 2HB GLU 44 1HB GLU 44 -7.364 -11.620 -6.990 353 1HG GLU 44 2HG GLU 44 -8.465 -13.699 -6.885 354 2HG GLU 44 1HG GLU 44 -7.333 -13.770 -5.534 355 H MET 45 H MET 45 -5.286 -10.351 -6.378 356 HA MET 45 HA MET 45 -3.337 -12.503 -6.034 357 1HB MET 45 2HB MET 45 -3.406 -9.786 -7.370 358 2HB MET 45 1HB MET 45 -1.970 -10.808 -7.407 359 1HG MET 45 2HG MET 45 -4.425 -12.260 -8.119 360 2HG MET 45 1HG MET 45 -4.088 -10.917 -9.205 361 1HE MET 45 1HE MET 45 -2.430 -11.186 -11.255 362 2HE MET 45 2HE MET 45 -0.776 -11.555 -10.773 363 3HE MET 45 3HE MET 45 -1.701 -10.356 -9.873 364 H TRP 46 H TRP 46 -3.810 -9.199 -4.808 365 HA TRP 46 HA TRP 46 -1.302 -8.816 -3.493 366 1HB TRP 46 2HB TRP 46 -2.933 -7.041 -3.847 367 2HB TRP 46 1HB TRP 46 -4.130 -7.878 -2.865 368 HD1 TRP 46 HD TRP 46 -4.318 -6.784 -0.571 369 HE1 TRP 46 1HE TRP 46 -2.678 -5.704 1.103 370 HE3 TRP 46 3HE TRP 46 0.013 -7.206 -3.211 371 HZ2 TRP 46 2HZ TRP 46 0.121 -5.104 1.286 372 HZ3 TRP 46 3HZ TRP 46 2.155 -6.375 -2.274 373 HH2 TRP 46 HH TRP 46 2.209 -5.328 -0.034 374 H SER 47 H SER 47 -4.408 -9.995 -2.126 375 HA SER 47 HA SER 47 -3.350 -10.806 0.407 376 1HB SER 47 2HB SER 47 -5.802 -11.084 -1.201 377 2HB SER 47 1HB SER 47 -5.533 -12.426 -0.093 378 HG SER 47 HG SER 47 -6.632 -10.303 0.607 379 H GLU 48 H GLU 48 -2.906 -12.191 -2.723 380 HA GLU 48 HA GLU 48 -2.357 -14.900 -1.638 381 1HB GLU 48 2HB GLU 48 -2.980 -13.626 -4.272 382 2HB GLU 48 1HB GLU 48 -2.025 -15.107 -4.285 383 1HG GLU 48 2HG GLU 48 -4.585 -14.913 -2.702 384 2HG GLU 48 1HG GLU 48 -4.592 -15.358 -4.409 385 H GLN 49 H GLN 49 -0.742 -11.970 -2.533 386 HA GLN 49 HA GLN 49 1.734 -13.098 -3.488 387 1HB GLN 49 2HB GLN 49 0.548 -10.535 -2.948 388 2HB GLN 49 1HB GLN 49 2.106 -10.582 -2.137 389 1HG GLN 49 2HG GLN 49 2.330 -9.736 -4.437 390 2HG GLN 49 1HG GLN 49 3.193 -11.260 -4.243 391 1HE2 GLN 49 1HE2 GLN 49 0.011 -9.983 -5.356 392 2HE2 GLN 49 2HE2 GLN 49 -0.233 -11.192 -6.522 393 H SER 50 H SER 50 3.594 -13.603 -2.300 394 HA SER 50 HA SER 50 3.178 -14.088 0.601 395 1HB SER 50 2HB SER 50 5.100 -15.602 0.298 396 2HB SER 50 1HB SER 50 3.893 -15.909 -0.946 397 HG SER 50 HG SER 50 5.752 -15.721 -2.055 398 H ALA 51 H ALA 51 6.499 -13.748 -0.349 399 HA ALA 51 HA ALA 51 6.599 -11.123 1.074 400 1HB ALA 51 1HB ALA 51 8.572 -13.377 0.602 401 2HB ALA 51 2HB ALA 51 7.872 -12.865 2.138 402 3HB ALA 51 3HB ALA 51 9.045 -11.835 1.316 403 H LYS 52 H LYS 52 7.301 -12.731 -1.964 404 HA LYS 52 HA LYS 52 9.204 -11.019 -3.147 405 1HB LYS 52 2HB LYS 52 7.907 -13.207 -3.903 406 2HB LYS 52 1HB LYS 52 6.862 -12.040 -4.716 407 1HG LYS 52 2HG LYS 52 8.536 -12.589 -6.315 408 2HG LYS 52 1HG LYS 52 9.013 -11.018 -5.671 409 1HD LYS 52 2HD LYS 52 10.367 -12.442 -3.932 410 2HD LYS 52 1HD LYS 52 10.214 -13.721 -5.137 411 1HE LYS 52 2HE LYS 52 11.391 -12.462 -6.784 412 2HE LYS 52 1HE LYS 52 11.233 -10.958 -5.854 413 1HZ LYS 52 1HZ LYS 52 12.646 -13.383 -4.881 414 2HZ LYS 52 2HZ LYS 52 12.580 -11.867 -4.118 415 3HZ LYS 52 3HZ LYS 52 13.427 -12.049 -5.580 416 H ASP 53 H ASP 53 5.625 -10.708 -3.313 417 HA ASP 53 HA ASP 53 6.025 -7.796 -3.930 418 1HB ASP 53 2HB ASP 53 4.393 -9.953 -5.165 419 2HB ASP 53 1HB ASP 53 3.633 -8.367 -5.028 420 H LYS 54 H LYS 54 5.888 -8.112 -1.403 421 HA LYS 54 HA LYS 54 3.365 -7.011 -0.521 422 1HB LYS 54 2HB LYS 54 3.367 -9.712 -0.842 423 2HB LYS 54 1HB LYS 54 3.891 -9.580 0.830 424 1HG LYS 54 2HG LYS 54 1.914 -7.966 1.146 425 2HG LYS 54 1HG LYS 54 1.354 -8.527 -0.422 426 1HD LYS 54 2HD LYS 54 0.289 -10.141 0.761 427 2HD LYS 54 1HD LYS 54 1.878 -10.899 0.842 428 1HE LYS 54 2HE LYS 54 1.114 -8.830 2.897 429 2HE LYS 54 1HE LYS 54 0.577 -10.513 3.082 430 1HZ LYS 54 1HZ LYS 54 3.362 -9.536 2.754 431 2HZ LYS 54 2HZ LYS 54 2.925 -11.173 2.627 432 3HZ LYS 54 3HZ LYS 54 2.708 -10.346 4.094 433 H GLN 55 H GLN 55 6.425 -8.559 0.383 434 HA GLN 55 HA GLN 55 6.460 -7.548 3.107 435 1HB GLN 55 2HB GLN 55 8.218 -9.020 1.222 436 2HB GLN 55 1HB GLN 55 9.038 -8.159 2.524 437 1HG GLN 55 2HG GLN 55 6.725 -10.072 2.944 438 2HG GLN 55 1HG GLN 55 8.423 -10.512 3.131 439 1HE2 GLN 55 1HE2 GLN 55 5.721 -9.034 4.713 440 2HE2 GLN 55 2HE2 GLN 55 6.546 -8.516 6.104 441 HA PRO 56 HA PRO 56 9.530 -4.314 1.414 442 1HB PRO 56 2HB PRO 56 9.799 -4.000 -1.288 443 2HB PRO 56 1HB PRO 56 10.789 -5.127 -0.340 444 1HG PRO 56 2HG PRO 56 8.431 -5.669 -2.065 445 2HG PRO 56 1HG PRO 56 9.901 -6.626 -1.826 446 1HD PRO 56 2HD PRO 56 7.496 -7.192 -0.661 447 2HD PRO 56 1HD PRO 56 9.064 -7.686 0.010 448 H TYR 57 H TYR 57 6.372 -4.827 0.153 449 HA TYR 57 HA TYR 57 6.015 -2.050 -0.788 450 1HB TYR 57 2HB TYR 57 4.359 -4.566 -0.646 451 2HB TYR 57 1HB TYR 57 3.621 -3.022 -1.073 452 HD1 TYR 57 1HD TYR 57 5.497 -1.640 -2.717 453 HD2 TYR 57 2HD TYR 57 4.720 -5.858 -2.548 454 HE1 TYR 57 1HE TYR 57 6.335 -1.885 -5.038 455 HE2 TYR 57 2HE TYR 57 5.559 -6.105 -4.870 456 HH TYR 57 HH TYR 57 7.270 -4.676 -6.365 457 H GLU 58 H GLU 58 5.014 -4.087 1.967 458 HA GLU 58 HA GLU 58 3.308 -2.008 3.119 459 1HB GLU 58 2HB GLU 58 3.146 -3.638 4.973 460 2HB GLU 58 1HB GLU 58 2.918 -4.427 3.416 461 1HG GLU 58 2HG GLU 58 4.517 -5.881 4.095 462 2HG GLU 58 1HG GLU 58 5.659 -4.581 3.776 463 H GLN 59 H GLN 59 6.682 -2.935 3.364 464 HA GLN 59 HA GLN 59 7.270 -1.590 5.863 465 1HB GLN 59 2HB GLN 59 8.886 -2.507 3.468 466 2HB GLN 59 1HB GLN 59 9.637 -1.785 4.891 467 1HG GLN 59 2HG GLN 59 7.761 -4.148 5.079 468 2HG GLN 59 1HG GLN 59 9.503 -4.339 4.872 469 1HE2 GLN 59 1HE2 GLN 59 6.988 -3.314 7.136 470 2HE2 GLN 59 2HE2 GLN 59 8.010 -3.171 8.485 471 H LYS 60 H LYS 60 8.321 -0.693 2.557 472 HA LYS 60 HA LYS 60 9.122 1.936 3.015 473 1HB LYS 60 2HB LYS 60 9.335 0.578 0.929 474 2HB LYS 60 1HB LYS 60 7.624 0.862 0.606 475 1HG LYS 60 2HG LYS 60 8.475 3.414 1.030 476 2HG LYS 60 1HG LYS 60 9.930 2.703 0.332 477 1HD LYS 60 2HD LYS 60 8.730 1.987 -1.633 478 2HD LYS 60 1HD LYS 60 7.182 2.431 -0.911 479 1HE LYS 60 2HE LYS 60 7.747 4.788 -0.975 480 2HE LYS 60 1HE LYS 60 9.407 4.419 -1.485 481 1HZ LYS 60 1HZ LYS 60 8.514 3.315 -3.449 482 2HZ LYS 60 2HZ LYS 60 8.027 4.943 -3.400 483 3HZ LYS 60 3HZ LYS 60 6.935 3.712 -2.977 484 H ALA 61 H ALA 61 5.812 0.749 2.972 485 HA ALA 61 HA ALA 61 4.673 3.467 2.667 486 1HB ALA 61 1HB ALA 61 3.854 1.076 1.815 487 2HB ALA 61 2HB ALA 61 2.690 2.315 2.284 488 3HB ALA 61 3HB ALA 61 3.106 1.025 3.411 489 H ALA 62 H ALA 62 5.065 0.930 5.119 490 HA ALA 62 HA ALA 62 3.542 2.178 7.213 491 1HB ALA 62 1HB ALA 62 4.167 -0.173 7.248 492 2HB ALA 62 2HB ALA 62 4.917 0.612 8.637 493 3HB ALA 62 3HB ALA 62 5.881 0.242 7.207 494 H LYS 63 H LYS 63 6.966 2.465 6.236 495 HA LYS 63 HA LYS 63 7.615 4.216 8.506 496 1HB LYS 63 2HB LYS 63 9.117 2.510 7.333 497 2HB LYS 63 1HB LYS 63 9.201 3.651 5.991 498 1HG LYS 63 2HG LYS 63 10.253 5.314 7.332 499 2HG LYS 63 1HG LYS 63 9.865 4.459 8.825 500 1HD LYS 63 2HD LYS 63 11.447 2.742 8.383 501 2HD LYS 63 1HD LYS 63 11.618 3.229 6.696 502 1HE LYS 63 2HE LYS 63 13.565 4.095 7.781 503 2HE LYS 63 1HE LYS 63 12.477 5.491 7.641 504 1HZ LYS 63 1HZ LYS 63 13.328 5.222 9.914 505 2HZ LYS 63 2HZ LYS 63 12.630 3.674 9.990 506 3HZ LYS 63 3HZ LYS 63 11.642 5.049 9.847 507 H LEU 64 H LEU 64 6.095 4.660 5.486 508 HA LEU 64 HA LEU 64 7.076 7.452 5.162 509 1HB LEU 64 2HB LEU 64 5.920 5.315 3.500 510 2HB LEU 64 1HB LEU 64 5.205 6.896 3.186 511 HG LEU 64 HG LEU 64 8.194 6.421 3.279 512 1HD1 LEU 64 1HD1 LEU 64 7.772 6.817 0.686 513 2HD1 LEU 64 2HD1 LEU 64 6.195 6.126 1.069 514 3HD1 LEU 64 3HD1 LEU 64 7.661 5.200 1.382 515 1HD2 LEU 64 1HD2 LEU 64 8.262 8.602 2.141 516 2HD2 LEU 64 2HD2 LEU 64 7.396 8.740 3.672 517 3HD2 LEU 64 3HD2 LEU 64 6.500 8.675 2.153 518 H LYS 65 H LYS 65 4.265 5.542 6.063 519 HA LYS 65 HA LYS 65 2.289 7.632 5.980 520 1HB LYS 65 2HB LYS 65 1.811 5.207 6.039 521 2HB LYS 65 1HB LYS 65 2.512 5.102 7.654 522 1HG LYS 65 2HG LYS 65 0.795 6.660 8.504 523 2HG LYS 65 1HG LYS 65 0.096 6.773 6.889 524 1HD LYS 65 2HD LYS 65 -1.248 5.127 7.839 525 2HD LYS 65 1HD LYS 65 0.000 4.144 7.071 526 1HE LYS 65 2HE LYS 65 1.182 3.876 9.166 527 2HE LYS 65 1HE LYS 65 0.118 5.047 9.970 528 1HZ LYS 65 1HZ LYS 65 -0.735 2.486 8.723 529 2HZ LYS 65 2HZ LYS 65 -1.775 3.626 9.433 530 3HZ LYS 65 3HZ LYS 65 -0.644 2.793 10.389 531 H GLU 66 H GLU 66 4.142 6.233 8.702 532 HA GLU 66 HA GLU 66 3.265 7.942 10.775 533 1HB GLU 66 2HB GLU 66 4.758 5.839 10.782 534 2HB GLU 66 1HB GLU 66 6.098 6.938 10.456 535 1HG GLU 66 2HG GLU 66 5.664 8.172 12.495 536 2HG GLU 66 1HG GLU 66 4.187 7.253 12.787 537 H LYS 67 H LYS 67 5.547 8.577 8.179 538 HA LYS 67 HA LYS 67 6.699 10.977 9.396 539 1HB LYS 67 2HB LYS 67 7.728 9.368 7.686 540 2HB LYS 67 1HB LYS 67 6.692 10.143 6.487 541 1HG LYS 67 2HG LYS 67 7.678 12.365 7.268 542 2HG LYS 67 1HG LYS 67 8.877 11.416 8.146 543 1HD LYS 67 2HD LYS 67 8.435 10.704 5.289 544 2HD LYS 67 1HD LYS 67 9.269 12.224 5.612 545 1HE LYS 67 2HE LYS 67 11.120 10.857 5.710 546 2HE LYS 67 1HE LYS 67 10.554 10.564 7.366 547 1HZ LYS 67 1HZ LYS 67 10.872 8.503 6.021 548 2HZ LYS 67 2HZ LYS 67 9.613 9.025 5.007 549 3HZ LYS 67 3HZ LYS 67 9.306 8.689 6.645 550 H TYR 68 H TYR 68 3.950 10.234 7.356 551 HA TYR 68 HA TYR 68 3.468 12.837 6.215 552 1HB TYR 68 2HB TYR 68 2.496 10.590 5.579 553 2HB TYR 68 1HB TYR 68 1.493 10.675 7.020 554 HD1 TYR 68 1HD TYR 68 2.423 12.812 4.074 555 HD2 TYR 68 2HD TYR 68 -0.653 11.526 6.780 556 HE1 TYR 68 1HE TYR 68 0.755 14.143 2.814 557 HE2 TYR 68 2HE TYR 68 -2.321 12.861 5.521 558 HH TYR 68 HH TYR 68 -2.485 13.729 3.044 559 H GLU 69 H GLU 69 2.354 11.244 9.159 560 HA GLU 69 HA GLU 69 0.560 13.222 10.139 561 1HB GLU 69 2HB GLU 69 2.386 11.272 11.587 562 2HB GLU 69 1HB GLU 69 1.008 12.092 12.324 563 1HG GLU 69 2HG GLU 69 -0.247 11.071 10.193 564 2HG GLU 69 1HG GLU 69 1.048 9.881 10.319 565 H LYS 70 H LYS 70 4.088 13.006 10.302 566 HA LYS 70 HA LYS 70 4.274 15.347 12.105 567 1HB LYS 70 2HB LYS 70 6.180 13.389 10.805 568 2HB LYS 70 1HB LYS 70 6.776 14.826 11.637 569 1HG LYS 70 2HG LYS 70 5.409 14.100 13.648 570 2HG LYS 70 1HG LYS 70 5.128 12.574 12.810 571 1HD LYS 70 2HD LYS 70 7.646 12.352 12.590 572 2HD LYS 70 1HD LYS 70 7.786 13.729 13.684 573 1HE LYS 70 2HE LYS 70 6.243 12.378 15.274 574 2HE LYS 70 1HE LYS 70 6.667 10.982 14.264 575 1HZ LYS 70 1HZ LYS 70 8.602 12.839 15.547 576 2HZ LYS 70 2HZ LYS 70 9.005 11.513 14.565 577 3HZ LYS 70 3HZ LYS 70 8.260 11.263 16.072 578 H ASP 71 H ASP 71 4.821 14.403 8.745 579 HA ASP 71 HA ASP 71 6.044 16.818 7.794 580 1HB ASP 71 2HB ASP 71 4.705 14.394 6.752 581 2HB ASP 71 1HB ASP 71 4.597 15.781 5.688 582 H ILE 72 H ILE 72 2.674 15.693 7.500 583 HA ILE 72 HA ILE 72 1.526 18.083 6.498 584 HB ILE 72 HB ILE 72 0.538 15.739 8.139 585 1HG1 ILE 72 2HG1 ILE 72 1.273 15.349 5.817 586 2HG1 ILE 72 1HG1 ILE 72 -0.454 15.067 6.011 587 1HG2 ILE 72 1HG2 ILE 72 -1.122 17.296 8.729 588 2HG2 ILE 72 2HG2 ILE 72 -1.793 16.553 7.277 589 3HG2 ILE 72 3HG2 ILE 72 -1.022 18.136 7.181 590 1HD1 ILE 72 1HD1 ILE 72 -0.803 17.469 5.204 591 2HD1 ILE 72 2HD1 ILE 72 -0.223 16.330 3.992 592 3HD1 ILE 72 3HD1 ILE 72 0.898 17.460 4.744 593 H ALA 73 H ALA 73 2.363 17.174 9.806 594 HA ALA 73 HA ALA 73 0.837 19.183 11.182 595 1HB ALA 73 1HB ALA 73 1.802 17.230 12.282 596 2HB ALA 73 2HB ALA 73 2.495 18.682 13.002 597 3HB ALA 73 3HB ALA 73 3.429 17.745 11.836 598 H ALA 74 H ALA 74 4.307 19.143 10.258 599 HA ALA 74 HA ALA 74 4.719 21.922 11.004 600 1HB ALA 74 1HB ALA 74 6.351 20.079 9.228 601 2HB ALA 74 2HB ALA 74 6.436 20.091 10.989 602 3HB ALA 74 3HB ALA 74 6.939 21.511 10.073 603 H TYR 75 H TYR 75 4.052 20.199 7.978 604 HA TYR 75 HA TYR 75 4.489 22.447 6.217 605 1HB TYR 75 2HB TYR 75 4.204 19.812 5.881 606 2HB TYR 75 1HB TYR 75 2.527 20.276 5.591 607 HD1 TYR 75 1HD TYR 75 2.042 22.086 3.859 608 HD2 TYR 75 2HD TYR 75 5.868 20.169 4.232 609 HE1 TYR 75 1HE TYR 75 2.647 22.849 1.579 610 HE2 TYR 75 2HE TYR 75 6.473 20.931 1.951 611 HH TYR 75 HH TYR 75 5.409 21.653 -0.086 612 H ARG 76 H ARG 76 1.805 21.444 8.252 613 HA ARG 76 HA ARG 76 -0.171 23.136 6.884 614 1HB ARG 76 2HB ARG 76 -0.727 21.003 7.994 615 2HB ARG 76 1HB ARG 76 -0.173 21.656 9.536 616 1HG ARG 76 2HG ARG 76 -1.959 23.186 9.667 617 2HG ARG 76 1HG ARG 76 -2.312 23.062 7.943 618 1HD ARG 76 2HD ARG 76 -2.508 20.509 9.445 619 2HD ARG 76 1HD ARG 76 -3.738 21.728 9.839 620 HE ARG 76 HE ARG 76 -3.200 20.727 7.069 621 1HH1 ARG 76 1HH1 ARG 76 -4.539 23.465 7.583 622 2HH1 ARG 76 2HH1 ARG 76 -6.207 23.035 7.405 623 1HH2 ARG 76 1HH2 ARG 76 -5.627 19.624 7.648 624 2HH2 ARG 76 2HH2 ARG 76 -6.823 20.859 7.442 625 H ALA 77 H ALA 77 2.393 23.817 8.996 626 HA ALA 77 HA ALA 77 0.992 26.268 10.009 627 1HB ALA 77 1HB ALA 77 3.034 24.434 11.299 628 2HB ALA 77 2HB ALA 77 1.369 24.701 11.815 629 3HB ALA 77 3HB ALA 77 2.561 25.991 11.981 630 H LYS 78 H LYS 78 1.837 27.446 8.144 631 HA LYS 78 HA LYS 78 4.760 28.069 8.385 632 1HB LYS 78 2HB LYS 78 3.981 26.491 6.474 633 2HB LYS 78 1HB LYS 78 3.261 27.937 5.766 634 1HG LYS 78 2HG LYS 78 5.408 27.873 4.797 635 2HG LYS 78 1HG LYS 78 5.594 29.016 6.128 636 1HD LYS 78 2HD LYS 78 6.683 27.418 7.499 637 2HD LYS 78 1HD LYS 78 6.159 26.073 6.486 638 1HE LYS 78 2HE LYS 78 8.427 26.383 5.858 639 2HE LYS 78 1HE LYS 78 7.538 27.273 4.605 640 1HZ LYS 78 1HZ LYS 78 7.763 29.288 5.894 641 2HZ LYS 78 2HZ LYS 78 9.303 28.629 5.604 642 3HZ LYS 78 3HZ LYS 78 8.573 28.455 7.129 Start of MODEL 23 1 1H MET 1 1HT MET 1 -1.149 11.967 -6.237 2 2H MET 1 2HT MET 1 0.120 12.914 -6.854 3 3H MET 1 3HT MET 1 -0.231 11.404 -7.547 4 HA MET 1 HA MET 1 -1.088 13.156 -8.965 5 1HB MET 1 2HB MET 1 -2.605 11.067 -7.573 6 2HB MET 1 1HB MET 1 -3.651 12.321 -8.239 7 1HG MET 1 2HG MET 1 -3.434 10.838 -10.042 8 2HG MET 1 1HG MET 1 -2.196 12.043 -10.393 9 1HE MET 1 1HE MET 1 -0.652 9.122 -11.828 10 2HE MET 1 2HE MET 1 -2.223 9.919 -11.845 11 3HE MET 1 3HE MET 1 -2.070 8.302 -11.160 12 H LYS 2 H LYS 2 -1.067 15.353 -8.521 13 HA LYS 2 HA LYS 2 -1.753 17.441 -7.656 14 1HB LYS 2 2HB LYS 2 -3.836 16.297 -8.716 15 2HB LYS 2 1HB LYS 2 -4.359 16.047 -7.050 16 1HG LYS 2 2HG LYS 2 -3.450 18.773 -7.929 17 2HG LYS 2 1HG LYS 2 -5.087 18.233 -8.305 18 1HD LYS 2 2HD LYS 2 -5.218 17.588 -5.793 19 2HD LYS 2 1HD LYS 2 -3.819 18.646 -5.603 20 1HE LYS 2 2HE LYS 2 -5.021 20.564 -6.258 21 2HE LYS 2 1HE LYS 2 -6.283 19.609 -7.061 22 1HZ LYS 2 1HZ LYS 2 -6.931 18.703 -4.930 23 2HZ LYS 2 2HZ LYS 2 -7.006 20.399 -4.871 24 3HZ LYS 2 3HZ LYS 2 -5.708 19.578 -4.144 25 H LYS 3 H LYS 3 -0.473 17.580 -5.757 26 HA LYS 3 HA LYS 3 -1.961 17.167 -3.219 27 1HB LYS 3 2HB LYS 3 -0.007 15.946 -2.270 28 2HB LYS 3 1HB LYS 3 -0.720 15.083 -3.632 29 1HG LYS 3 2HG LYS 3 1.059 16.464 -5.029 30 2HG LYS 3 1HG LYS 3 1.890 16.552 -3.477 31 1HD LYS 3 2HD LYS 3 0.858 13.924 -4.531 32 2HD LYS 3 1HD LYS 3 2.435 14.544 -5.023 33 1HE LYS 3 2HE LYS 3 2.915 14.829 -2.497 34 2HE LYS 3 1HE LYS 3 1.514 13.768 -2.249 35 1HZ LYS 3 1HZ LYS 3 3.776 13.146 -4.071 36 2HZ LYS 3 2HZ LYS 3 2.485 12.121 -3.662 37 3HZ LYS 3 3HZ LYS 3 3.642 12.543 -2.492 38 H ASP 4 H ASP 4 -1.857 19.611 -3.676 39 HA ASP 4 HA ASP 4 -0.981 21.737 -3.156 40 1HB ASP 4 2HB ASP 4 -0.059 19.783 -1.164 41 2HB ASP 4 1HB ASP 4 0.988 21.196 -1.268 42 HA PRO 5 HA PRO 5 2.752 22.401 -5.382 43 1HB PRO 5 2HB PRO 5 4.060 24.386 -4.030 44 2HB PRO 5 1HB PRO 5 2.584 24.673 -4.973 45 1HG PRO 5 2HG PRO 5 2.924 24.375 -2.034 46 2HG PRO 5 1HG PRO 5 1.851 25.449 -2.945 47 1HD PRO 5 2HD PRO 5 1.028 23.136 -1.742 48 2HD PRO 5 1HD PRO 5 0.226 23.859 -3.154 49 H ASN 6 H ASN 6 3.247 22.028 -1.889 50 HA ASN 6 HA ASN 6 5.502 20.184 -2.388 51 1HB ASN 6 2HB ASN 6 5.703 22.952 -1.242 52 2HB ASN 6 1HB ASN 6 6.796 21.702 -0.649 53 1HD2 ASN 6 1HD2 ASN 6 7.645 20.284 -2.736 54 2HD2 ASN 6 2HD2 ASN 6 8.271 21.247 -3.985 55 H ALA 7 H ALA 7 2.746 20.229 -1.074 56 HA ALA 7 HA ALA 7 3.490 19.630 1.756 57 1HB ALA 7 1HB ALA 7 1.286 20.197 2.254 58 2HB ALA 7 2HB ALA 7 0.688 19.657 0.685 59 3HB ALA 7 3HB ALA 7 1.551 21.189 0.821 60 HA PRO 8 HA PRO 8 2.911 15.373 0.792 61 1HB PRO 8 2HB PRO 8 2.902 14.351 3.313 62 2HB PRO 8 1HB PRO 8 4.356 14.853 2.432 63 1HG PRO 8 2HG PRO 8 3.076 16.102 4.707 64 2HG PRO 8 1HG PRO 8 4.654 16.365 3.973 65 1HD PRO 8 2HD PRO 8 2.290 17.981 3.696 66 2HD PRO 8 1HD PRO 8 3.938 18.297 3.117 67 H LYS 9 H LYS 9 0.960 14.592 0.085 68 HA LYS 9 HA LYS 9 -1.529 15.074 1.600 69 1HB LYS 9 2HB LYS 9 -0.684 14.070 -1.087 70 2HB LYS 9 1HB LYS 9 -2.288 13.633 -0.498 71 1HG LYS 9 2HG LYS 9 -1.245 16.475 -0.581 72 2HG LYS 9 1HG LYS 9 -2.251 15.759 -1.841 73 1HD LYS 9 2HD LYS 9 -3.865 15.156 0.112 74 2HD LYS 9 1HD LYS 9 -2.974 16.383 1.013 75 1HE LYS 9 2HE LYS 9 -3.427 17.989 -0.902 76 2HE LYS 9 1HE LYS 9 -4.531 16.766 -1.562 77 1HZ LYS 9 1HZ LYS 9 -5.683 18.316 -0.073 78 2HZ LYS 9 2HZ LYS 9 -4.649 17.867 1.198 79 3HZ LYS 9 3HZ LYS 9 -5.719 16.729 0.526 80 H ARG 10 H ARG 10 -2.999 12.865 1.198 81 HA ARG 10 HA ARG 10 -2.659 11.113 3.252 82 1HB ARG 10 2HB ARG 10 -3.957 9.509 1.867 83 2HB ARG 10 1HB ARG 10 -4.552 11.160 1.697 84 1HG ARG 10 2HG ARG 10 -3.223 11.409 -0.386 85 2HG ARG 10 1HG ARG 10 -2.691 9.734 -0.228 86 1HD ARG 10 2HD ARG 10 -5.327 9.293 -0.062 87 2HD ARG 10 1HD ARG 10 -5.375 10.796 -1.005 88 HE ARG 10 HE ARG 10 -3.534 8.612 -1.859 89 1HH1 ARG 10 1HH2 ARG 10 -6.672 8.711 -2.396 90 2HH1 ARG 10 2HH2 ARG 10 -6.638 9.204 -4.056 91 1HH2 ARG 10 1HH1 ARG 10 -3.289 10.100 -3.999 92 2HH2 ARG 10 2HH1 ARG 10 -4.723 9.991 -4.963 93 HA PRO 11 HA PRO 11 1.112 8.916 2.393 94 1HB PRO 11 2HB PRO 11 0.882 6.930 4.256 95 2HB PRO 11 1HB PRO 11 1.325 8.598 4.666 96 1HG PRO 11 2HG PRO 11 -1.295 7.218 4.931 97 2HG PRO 11 1HG PRO 11 -0.524 8.394 6.006 98 1HD PRO 11 2HD PRO 11 -2.530 9.015 4.255 99 2HD PRO 11 1HD PRO 11 -1.316 10.182 4.828 100 HA PRO 12 HA PRO 12 -0.082 5.571 -0.230 101 1HB PRO 12 2HB PRO 12 2.199 4.055 -0.248 102 2HB PRO 12 1HB PRO 12 2.059 5.599 -1.112 103 1HG PRO 12 2HG PRO 12 3.346 4.995 1.490 104 2HG PRO 12 1HG PRO 12 3.864 6.096 0.208 105 1HD PRO 12 2HD PRO 12 2.651 6.920 2.506 106 2HD PRO 12 1HD PRO 12 2.545 7.804 0.968 107 H SER 13 H SER 13 -0.479 3.230 -0.230 108 HA SER 13 HA SER 13 -0.402 1.975 2.495 109 1HB SER 13 2HB SER 13 -2.642 2.860 1.580 110 2HB SER 13 1HB SER 13 -2.529 1.582 0.374 111 HG SER 13 HG SER 13 -2.953 1.442 3.126 112 H ALA 14 H ALA 14 -0.307 -0.441 2.372 113 HA ALA 14 HA ALA 14 1.632 -1.411 0.514 114 1HB ALA 14 1HB ALA 14 0.867 -2.281 2.819 115 2HB ALA 14 2HB ALA 14 1.268 -3.487 1.596 116 3HB ALA 14 3HB ALA 14 -0.419 -3.104 1.938 117 H PHE 15 H PHE 15 -1.915 -2.068 0.622 118 HA PHE 15 HA PHE 15 -2.048 -3.548 -1.809 119 1HB PHE 15 2HB PHE 15 -3.838 -3.425 -0.111 120 2HB PHE 15 1HB PHE 15 -4.080 -1.717 -0.479 121 HD1 PHE 15 1HD PHE 15 -3.633 -4.813 -2.567 122 HD2 PHE 15 2HD PHE 15 -6.035 -1.360 -1.696 123 HE1 PHE 15 1HE PHE 15 -5.165 -5.411 -4.422 124 HE2 PHE 15 2HE PHE 15 -7.570 -1.961 -3.551 125 HZ PHE 15 HZ PHE 15 -7.132 -3.986 -4.916 126 H PHE 16 H PHE 16 -2.208 -0.047 -1.182 127 HA PHE 16 HA PHE 16 -2.918 0.793 -3.827 128 1HB PHE 16 2HB PHE 16 -2.794 2.071 -1.563 129 2HB PHE 16 1HB PHE 16 -1.087 2.295 -1.945 130 HD1 PHE 16 1HD PHE 16 -4.535 2.844 -3.266 131 HD2 PHE 16 2HD PHE 16 -0.391 3.951 -3.486 132 HE1 PHE 16 1HE PHE 16 -5.118 4.725 -4.774 133 HE2 PHE 16 2HE PHE 16 -0.974 5.832 -4.994 134 HZ PHE 16 HZ PHE 16 -3.337 6.219 -5.637 135 H LEU 17 H LEU 17 0.165 -0.062 -2.329 136 HA LEU 17 HA LEU 17 1.889 0.831 -4.471 137 1HB LEU 17 2HB LEU 17 1.985 -0.791 -2.014 138 2HB LEU 17 1HB LEU 17 3.105 -1.351 -3.253 139 HG LEU 17 HG LEU 17 4.098 0.862 -3.420 140 1HD1 LEU 17 1HD1 LEU 17 1.689 1.634 -1.902 141 2HD1 LEU 17 2HD1 LEU 17 2.660 2.583 -3.024 142 3HD1 LEU 17 3HD1 LEU 17 3.175 2.405 -1.347 143 1HD2 LEU 17 1HD2 LEU 17 5.370 0.649 -1.539 144 2HD2 LEU 17 2HD2 LEU 17 4.435 -0.832 -1.333 145 3HD2 LEU 17 3HD2 LEU 17 3.966 0.632 -0.471 146 H PHE 18 H PHE 18 1.294 -2.548 -3.594 147 HA PHE 18 HA PHE 18 1.846 -3.966 -5.862 148 1HB PHE 18 2HB PHE 18 0.986 -5.010 -3.863 149 2HB PHE 18 1HB PHE 18 -0.563 -4.186 -4.030 150 HD1 PHE 18 1HD PHE 18 1.640 -6.791 -5.517 151 HD2 PHE 18 2HD PHE 18 -2.290 -5.061 -5.434 152 HE1 PHE 18 1HE PHE 18 0.773 -8.694 -6.853 153 HE2 PHE 18 2HE PHE 18 -3.157 -6.961 -6.769 154 HZ PHE 18 HZ PHE 18 -1.627 -8.779 -7.479 155 H CYS 19 H CYS 19 -1.418 -2.436 -5.407 156 HA CYS 19 HA CYS 19 -2.313 -3.009 -8.062 157 1HB CYS 19 2HB CYS 19 -3.756 -2.457 -6.125 158 2HB CYS 19 1HB CYS 19 -3.095 -0.824 -6.105 159 HG CYS 19 HG CYS 19 -5.270 -1.817 -7.983 160 H SER 20 H SER 20 -0.796 -0.099 -6.654 161 HA SER 20 HA SER 20 -0.948 1.640 -8.868 162 1HB SER 20 2HB SER 20 -0.167 2.376 -6.713 163 2HB SER 20 1HB SER 20 1.173 1.234 -6.743 164 HG SER 20 HG SER 20 2.260 2.708 -7.750 165 H GLU 21 H GLU 21 1.219 -1.119 -8.367 166 HA GLU 21 HA GLU 21 2.799 -0.378 -10.761 167 1HB GLU 21 2HB GLU 21 4.202 -2.289 -10.053 168 2HB GLU 21 1HB GLU 21 3.936 -1.158 -8.730 169 1HG GLU 21 2HG GLU 21 2.378 -2.584 -7.671 170 2HG GLU 21 1HG GLU 21 2.150 -3.555 -9.126 171 H HIS 22 H HIS 22 0.181 -2.570 -9.864 172 HA HIS 22 HA HIS 22 0.504 -4.051 -12.438 173 1HB HIS 22 2HB HIS 22 -1.052 -4.477 -9.875 174 2HB HIS 22 1HB HIS 22 -1.285 -5.485 -11.301 175 HD1 HIS 22 1HD HIS 22 1.188 -6.449 -12.271 176 HD2 HIS 22 2HD HIS 22 0.866 -5.512 -8.224 177 HE1 HIS 22 1HE HIS 22 3.056 -7.692 -11.098 178 H ARG 23 H ARG 23 -0.746 -1.203 -11.834 179 HA ARG 23 HA ARG 23 -3.557 -1.589 -12.567 180 1HB ARG 23 2HB ARG 23 -2.570 0.171 -11.008 181 2HB ARG 23 1HB ARG 23 -1.966 0.980 -12.450 182 1HG ARG 23 2HG ARG 23 -4.410 0.799 -13.312 183 2HG ARG 23 1HG ARG 23 -4.820 0.505 -11.622 184 1HD ARG 23 2HD ARG 23 -3.243 2.914 -12.600 185 2HD ARG 23 1HD ARG 23 -4.974 2.931 -12.208 186 HE ARG 23 HE ARG 23 -3.038 1.962 -10.158 187 1HH1 ARG 23 1HH2 ARG 23 -3.403 5.012 -10.683 188 2HH1 ARG 23 2HH2 ARG 23 -4.518 5.401 -9.416 189 1HH2 ARG 23 1HH1 ARG 23 -5.349 2.098 -8.772 190 2HH2 ARG 23 2HH1 ARG 23 -5.620 3.751 -8.334 191 HA PRO 24 HA PRO 24 -2.061 0.312 -16.670 192 1HB PRO 24 2HB PRO 24 0.604 0.302 -17.267 193 2HB PRO 24 1HB PRO 24 -0.196 1.651 -16.437 194 1HG PRO 24 2HG PRO 24 1.533 -0.488 -15.337 195 2HG PRO 24 1HG PRO 24 1.364 1.201 -14.839 196 1HD PRO 24 2HD PRO 24 0.235 -0.959 -13.548 197 2HD PRO 24 1HD PRO 24 -0.310 0.722 -13.392 198 H LYS 25 H LYS 25 -1.017 -2.609 -15.268 199 HA LYS 25 HA LYS 25 -0.249 -3.925 -17.798 200 1HB LYS 25 2HB LYS 25 0.760 -4.287 -15.468 201 2HB LYS 25 1HB LYS 25 -0.734 -5.133 -15.063 202 1HG LYS 25 2HG LYS 25 -0.339 -6.839 -16.645 203 2HG LYS 25 1HG LYS 25 0.851 -5.873 -17.520 204 1HD LYS 25 2HD LYS 25 2.349 -5.982 -15.527 205 2HD LYS 25 1HD LYS 25 1.181 -7.046 -14.742 206 1HE LYS 25 2HE LYS 25 1.615 -8.822 -16.205 207 2HE LYS 25 1HE LYS 25 2.221 -7.748 -17.482 208 1HZ LYS 25 1HZ LYS 25 4.096 -7.179 -16.072 209 2HZ LYS 25 2HZ LYS 25 4.048 -8.857 -16.330 210 3HZ LYS 25 3HZ LYS 25 3.525 -8.206 -14.850 211 H ILE 26 H ILE 26 -2.941 -3.904 -15.475 212 HA ILE 26 HA ILE 26 -4.453 -6.019 -16.765 213 HB ILE 26 HB ILE 26 -5.250 -3.772 -14.881 214 1HG1 ILE 26 2HG1 ILE 26 -3.461 -5.227 -13.995 215 2HG1 ILE 26 1HG1 ILE 26 -4.966 -5.484 -13.120 216 1HG2 ILE 26 1HG2 ILE 26 -7.312 -4.549 -15.600 217 2HG2 ILE 26 2HG2 ILE 26 -6.995 -5.685 -14.288 218 3HG2 ILE 26 3HG2 ILE 26 -6.697 -6.163 -15.959 219 1HD1 ILE 26 1HD1 ILE 26 -3.793 -7.242 -15.294 220 2HD1 ILE 26 2HD1 ILE 26 -5.420 -7.449 -14.644 221 3HD1 ILE 26 3HD1 ILE 26 -4.018 -7.656 -13.594 222 H LYS 27 H LYS 27 -4.004 -2.634 -17.437 223 HA LYS 27 HA LYS 27 -6.515 -2.281 -18.919 224 1HB LYS 27 2HB LYS 27 -3.976 -0.709 -18.451 225 2HB LYS 27 1HB LYS 27 -5.222 -0.134 -19.561 226 1HG LYS 27 2HG LYS 27 -6.893 -0.338 -17.703 227 2HG LYS 27 1HG LYS 27 -5.569 -0.746 -16.612 228 1HD LYS 27 2HD LYS 27 -5.661 1.541 -16.272 229 2HD LYS 27 1HD LYS 27 -4.520 1.484 -17.617 230 1HE LYS 27 2HE LYS 27 -6.107 2.220 -19.170 231 2HE LYS 27 1HE LYS 27 -7.473 1.656 -18.188 232 1HZ LYS 27 1HZ LYS 27 -7.156 4.083 -18.048 233 2HZ LYS 27 2HZ LYS 27 -5.605 3.830 -17.402 234 3HZ LYS 27 3HZ LYS 27 -6.979 3.321 -16.543 235 H SER 28 H SER 28 -3.402 -3.635 -19.603 236 HA SER 28 HA SER 28 -3.321 -3.009 -22.450 237 1HB SER 28 2HB SER 28 -1.937 -5.126 -20.771 238 2HB SER 28 1HB SER 28 -1.460 -4.642 -22.395 239 HG SER 28 HG SER 28 -0.228 -3.422 -21.069 240 H GLU 29 H GLU 29 -4.054 -5.980 -20.579 241 HA GLU 29 HA GLU 29 -5.091 -7.337 -22.986 242 1HB GLU 29 2HB GLU 29 -4.838 -8.065 -20.053 243 2HB GLU 29 1HB GLU 29 -5.425 -9.177 -21.291 244 1HG GLU 29 2HG GLU 29 -2.788 -7.760 -21.634 245 2HG GLU 29 1HG GLU 29 -2.895 -9.239 -20.678 246 H HIS 30 H HIS 30 -6.426 -4.970 -21.194 247 HA HIS 30 HA HIS 30 -9.180 -5.910 -21.702 248 1HB HIS 30 2HB HIS 30 -8.220 -5.038 -18.954 249 2HB HIS 30 1HB HIS 30 -9.874 -5.457 -19.380 250 HD1 HIS 30 1HD HIS 30 -10.457 -7.950 -19.629 251 HD2 HIS 30 2HD HIS 30 -6.432 -7.273 -18.809 252 HE1 HIS 30 1HE HIS 30 -9.461 -10.202 -19.039 253 HA PRO 31 HA PRO 31 -8.332 -1.433 -22.540 254 1HB PRO 31 2HB PRO 31 -9.844 -1.341 -24.834 255 2HB PRO 31 1HB PRO 31 -8.132 -1.817 -24.818 256 1HG PRO 31 2HG PRO 31 -10.571 -3.543 -24.859 257 2HG PRO 31 1HG PRO 31 -9.066 -3.700 -25.784 258 1HD PRO 31 2HD PRO 31 -9.544 -5.202 -23.600 259 2HD PRO 31 1HD PRO 31 -7.911 -4.624 -24.003 260 H GLY 32 H GLY 32 -9.628 -0.090 -21.357 261 1HA GLY 32 2HA GLY 32 -11.744 1.068 -21.016 262 2HA GLY 32 1HA GLY 32 -12.585 -0.375 -21.585 263 H LEU 33 H LEU 33 -10.623 -2.008 -19.848 264 HA LEU 33 HA LEU 33 -12.252 -2.580 -17.648 265 1HB LEU 33 2HB LEU 33 -10.052 -3.620 -18.674 266 2HB LEU 33 1HB LEU 33 -9.254 -2.664 -17.431 267 HG LEU 33 HG LEU 33 -9.708 -4.952 -16.637 268 1HD1 LEU 33 1HD1 LEU 33 -11.537 -2.958 -15.278 269 2HD1 LEU 33 2HD1 LEU 33 -9.786 -2.998 -15.069 270 3HD1 LEU 33 3HD1 LEU 33 -10.769 -4.366 -14.546 271 1HD2 LEU 33 1HD2 LEU 33 -11.867 -5.047 -18.123 272 2HD2 LEU 33 2HD2 LEU 33 -12.657 -4.357 -16.706 273 3HD2 LEU 33 3HD2 LEU 33 -11.842 -5.916 -16.589 274 H SER 34 H SER 34 -13.031 -0.828 -16.467 275 HA SER 34 HA SER 34 -11.646 1.495 -15.628 276 1HB SER 34 2HB SER 34 -13.438 1.419 -13.778 277 2HB SER 34 1HB SER 34 -14.018 1.368 -15.440 278 HG SER 34 HG SER 34 -14.775 -0.273 -13.770 279 H ILE 35 H ILE 35 -11.579 1.771 -12.953 280 HA ILE 35 HA ILE 35 -9.340 0.013 -12.140 281 HB ILE 35 HB ILE 35 -10.624 2.454 -10.864 282 1HG1 ILE 35 2HG1 ILE 35 -8.217 3.291 -11.777 283 2HG1 ILE 35 1HG1 ILE 35 -8.577 2.061 -12.989 284 1HG2 ILE 35 1HG2 ILE 35 -8.189 2.505 -9.857 285 2HG2 ILE 35 2HG2 ILE 35 -8.220 0.777 -10.208 286 3HG2 ILE 35 3HG2 ILE 35 -9.419 1.476 -9.120 287 1HD1 ILE 35 1HD1 ILE 35 -10.437 3.188 -13.784 288 2HD1 ILE 35 2HD1 ILE 35 -9.439 4.555 -13.289 289 3HD1 ILE 35 3HD1 ILE 35 -10.741 3.989 -12.243 290 H GLY 36 H GLY 36 -12.461 -0.648 -12.073 291 1HA GLY 36 2HA GLY 36 -12.677 -1.336 -9.191 292 2HA GLY 36 1HA GLY 36 -13.998 -1.395 -10.360 293 H ASP 37 H ASP 37 -13.079 -2.907 -12.381 294 HA ASP 37 HA ASP 37 -13.194 -5.593 -11.368 295 1HB ASP 37 2HB ASP 37 -12.683 -4.231 -13.989 296 2HB ASP 37 1HB ASP 37 -12.399 -5.967 -13.871 297 H THR 38 H THR 38 -10.465 -3.687 -12.720 298 HA THR 38 HA THR 38 -8.508 -5.781 -12.391 299 HB THR 38 HB THR 38 -8.266 -3.857 -13.922 300 HG1 THR 38 1HG THR 38 -6.334 -3.846 -11.851 301 1HG2 THR 38 1HG2 THR 38 -7.546 -2.012 -11.709 302 2HG2 THR 38 2HG2 THR 38 -9.265 -2.312 -11.955 303 3HG2 THR 38 3HG2 THR 38 -8.287 -1.664 -13.269 304 H ALA 39 H ALA 39 -9.762 -3.264 -10.286 305 HA ALA 39 HA ALA 39 -7.746 -3.542 -8.197 306 1HB ALA 39 1HB ALA 39 -9.551 -2.263 -6.912 307 2HB ALA 39 2HB ALA 39 -10.536 -2.363 -8.372 308 3HB ALA 39 3HB ALA 39 -9.002 -1.494 -8.401 309 H LYS 40 H LYS 40 -10.773 -5.072 -9.029 310 HA LYS 40 HA LYS 40 -11.202 -6.439 -6.488 311 1HB LYS 40 2HB LYS 40 -12.283 -6.502 -9.289 312 2HB LYS 40 1HB LYS 40 -12.648 -7.861 -8.224 313 1HG LYS 40 2HG LYS 40 -13.257 -5.944 -6.507 314 2HG LYS 40 1HG LYS 40 -13.463 -4.987 -7.974 315 1HD LYS 40 2HD LYS 40 -15.173 -6.392 -8.796 316 2HD LYS 40 1HD LYS 40 -14.741 -7.704 -7.699 317 1HE LYS 40 2HE LYS 40 -15.402 -6.162 -5.775 318 2HE LYS 40 1HE LYS 40 -16.103 -5.087 -7.001 319 1HZ LYS 40 1HZ LYS 40 -17.398 -6.934 -7.848 320 2HZ LYS 40 2HZ LYS 40 -17.734 -6.702 -6.199 321 3HZ LYS 40 3HZ LYS 40 -16.726 -7.977 -6.693 322 H LYS 41 H LYS 41 -9.825 -7.278 -9.650 323 HA LYS 41 HA LYS 41 -9.128 -10.010 -8.995 324 1HB LYS 41 2HB LYS 41 -8.276 -7.971 -11.056 325 2HB LYS 41 1HB LYS 41 -7.546 -9.577 -11.011 326 1HG LYS 41 2HG LYS 41 -9.902 -10.526 -11.069 327 2HG LYS 41 1HG LYS 41 -10.466 -8.891 -11.417 328 1HD LYS 41 2HD LYS 41 -10.192 -9.762 -13.567 329 2HD LYS 41 1HD LYS 41 -8.642 -8.961 -13.306 330 1HE LYS 41 2HE LYS 41 -8.013 -11.102 -14.098 331 2HE LYS 41 1HE LYS 41 -7.897 -11.287 -12.337 332 1HZ LYS 41 1HZ LYS 41 -10.307 -11.906 -13.964 333 2HZ LYS 41 2HZ LYS 41 -10.150 -12.116 -12.286 334 3HZ LYS 41 3HZ LYS 41 -9.228 -13.063 -13.353 335 H LEU 42 H LEU 42 -7.142 -7.032 -9.184 336 HA LEU 42 HA LEU 42 -4.650 -8.004 -8.340 337 1HB LEU 42 2HB LEU 42 -6.160 -5.466 -8.306 338 2HB LEU 42 1HB LEU 42 -4.823 -5.536 -7.163 339 HG LEU 42 HG LEU 42 -3.300 -6.205 -8.993 340 1HD1 LEU 42 1HD1 LEU 42 -5.306 -7.176 -10.363 341 2HD1 LEU 42 2HD1 LEU 42 -3.984 -6.402 -11.233 342 3HD1 LEU 42 3HD1 LEU 42 -5.486 -5.524 -10.950 343 1HD2 LEU 42 1HD2 LEU 42 -2.988 -4.036 -9.699 344 2HD2 LEU 42 2HD2 LEU 42 -4.125 -3.742 -8.385 345 3HD2 LEU 42 3HD2 LEU 42 -4.698 -3.794 -10.052 346 H GLY 43 H GLY 43 -7.231 -6.692 -6.213 347 1HA GLY 43 2HA GLY 43 -5.951 -7.108 -3.728 348 2HA GLY 43 1HA GLY 43 -7.705 -7.128 -3.945 349 H GLU 44 H GLU 44 -7.454 -9.407 -5.894 350 HA GLU 44 HA GLU 44 -7.637 -11.596 -3.973 351 1HB GLU 44 2HB GLU 44 -8.881 -11.204 -6.222 352 2HB GLU 44 1HB GLU 44 -7.406 -11.797 -6.985 353 1HG GLU 44 2HG GLU 44 -7.563 -13.887 -5.692 354 2HG GLU 44 1HG GLU 44 -9.032 -13.297 -4.911 355 H MET 45 H MET 45 -5.283 -10.400 -6.335 356 HA MET 45 HA MET 45 -3.422 -12.631 -5.948 357 1HB MET 45 2HB MET 45 -3.485 -9.997 -7.415 358 2HB MET 45 1HB MET 45 -1.980 -10.906 -7.293 359 1HG MET 45 2HG MET 45 -3.317 -12.924 -8.152 360 2HG MET 45 1HG MET 45 -4.573 -11.763 -8.583 361 1HE MET 45 1HE MET 45 -2.827 -9.124 -9.537 362 2HE MET 45 2HE MET 45 -4.378 -9.858 -9.931 363 3HE MET 45 3HE MET 45 -3.211 -9.544 -11.212 364 H TRP 46 H TRP 46 -3.688 -9.223 -4.906 365 HA TRP 46 HA TRP 46 -1.219 -8.866 -3.564 366 1HB TRP 46 2HB TRP 46 -2.814 -7.088 -3.929 367 2HB TRP 46 1HB TRP 46 -4.048 -7.904 -2.981 368 HD1 TRP 46 HD TRP 46 -4.289 -6.836 -0.679 369 HE1 TRP 46 1HE TRP 46 -2.697 -5.716 1.015 370 HE3 TRP 46 3HE TRP 46 0.092 -7.196 -3.243 371 HZ2 TRP 46 2HZ TRP 46 0.085 -5.062 1.241 372 HZ3 TRP 46 3HZ TRP 46 2.203 -6.318 -2.278 373 HH2 TRP 46 HH TRP 46 2.197 -5.258 -0.047 374 H SER 47 H SER 47 -4.298 -10.122 -2.198 375 HA SER 47 HA SER 47 -3.239 -10.795 0.381 376 1HB SER 47 2HB SER 47 -5.667 -10.550 -0.515 377 2HB SER 47 1HB SER 47 -5.495 -12.226 -1.028 378 HG SER 47 HG SER 47 -6.174 -12.493 0.982 379 H GLU 48 H GLU 48 -2.607 -12.233 -2.672 380 HA GLU 48 HA GLU 48 -2.030 -14.897 -1.499 381 1HB GLU 48 2HB GLU 48 -2.636 -13.725 -4.181 382 2HB GLU 48 1HB GLU 48 -1.606 -15.156 -4.136 383 1HG GLU 48 2HG GLU 48 -4.236 -15.030 -2.654 384 2HG GLU 48 1HG GLU 48 -4.127 -15.582 -4.326 385 H GLN 49 H GLN 49 -0.472 -11.940 -2.539 386 HA GLN 49 HA GLN 49 2.045 -12.953 -3.409 387 1HB GLN 49 2HB GLN 49 1.321 -10.427 -1.874 388 2HB GLN 49 1HB GLN 49 2.825 -10.671 -2.754 389 1HG GLN 49 2HG GLN 49 0.046 -10.625 -3.951 390 2HG GLN 49 1HG GLN 49 1.264 -9.372 -4.115 391 1HE2 GLN 49 1HE2 GLN 49 -0.022 -11.132 -6.234 392 2HE2 GLN 49 2HE2 GLN 49 1.282 -11.867 -7.033 393 H SER 50 H SER 50 3.878 -13.548 -2.238 394 HA SER 50 HA SER 50 3.473 -14.168 0.629 395 1HB SER 50 2HB SER 50 5.516 -15.524 0.265 396 2HB SER 50 1HB SER 50 4.324 -15.857 -0.987 397 HG SER 50 HG SER 50 6.042 -15.440 -2.185 398 H ALA 51 H ALA 51 6.794 -13.677 0.037 399 HA ALA 51 HA ALA 51 6.648 -11.008 1.370 400 1HB ALA 51 1HB ALA 51 8.732 -13.206 1.211 401 2HB ALA 51 2HB ALA 51 7.821 -12.690 2.630 402 3HB ALA 51 3HB ALA 51 9.056 -11.636 1.944 403 H LYS 52 H LYS 52 7.235 -12.382 -1.692 404 HA LYS 52 HA LYS 52 9.409 -10.649 -2.567 405 1HB LYS 52 2HB LYS 52 8.649 -12.932 -3.475 406 2HB LYS 52 1HB LYS 52 7.330 -12.061 -4.257 407 1HG LYS 52 2HG LYS 52 8.999 -12.109 -5.917 408 2HG LYS 52 1HG LYS 52 9.195 -10.513 -5.191 409 1HD LYS 52 2HD LYS 52 11.104 -11.166 -3.972 410 2HD LYS 52 1HD LYS 52 10.739 -12.883 -4.151 411 1HE LYS 52 2HE LYS 52 11.315 -12.840 -6.500 412 2HE LYS 52 1HE LYS 52 11.458 -11.071 -6.481 413 1HZ LYS 52 1HZ LYS 52 13.629 -12.115 -6.220 414 2HZ LYS 52 2HZ LYS 52 13.079 -12.959 -4.852 415 3HZ LYS 52 3HZ LYS 52 13.202 -11.265 -4.817 416 H ASP 53 H ASP 53 5.858 -10.643 -2.929 417 HA ASP 53 HA ASP 53 6.027 -7.780 -3.815 418 1HB ASP 53 2HB ASP 53 4.681 -10.179 -4.860 419 2HB ASP 53 1HB ASP 53 3.617 -8.782 -4.717 420 H LYS 54 H LYS 54 5.950 -8.072 -1.163 421 HA LYS 54 HA LYS 54 3.388 -6.955 -0.380 422 1HB LYS 54 2HB LYS 54 3.454 -9.671 -0.610 423 2HB LYS 54 1HB LYS 54 3.916 -9.468 1.076 424 1HG LYS 54 2HG LYS 54 1.890 -7.825 1.190 425 2HG LYS 54 1HG LYS 54 1.390 -8.588 -0.314 426 1HD LYS 54 2HD LYS 54 0.277 -9.794 1.401 427 2HD LYS 54 1HD LYS 54 1.620 -10.817 0.897 428 1HE LYS 54 2HE LYS 54 2.975 -9.789 2.802 429 2HE LYS 54 1HE LYS 54 1.452 -9.086 3.380 430 1HZ LYS 54 1HZ LYS 54 0.469 -11.323 3.285 431 2HZ LYS 54 2HZ LYS 54 1.761 -11.239 4.385 432 3HZ LYS 54 3HZ LYS 54 1.982 -11.965 2.865 433 H GLN 55 H GLN 55 6.446 -8.430 0.667 434 HA GLN 55 HA GLN 55 6.380 -7.263 3.336 435 1HB GLN 55 2HB GLN 55 8.234 -8.834 1.616 436 2HB GLN 55 1HB GLN 55 8.947 -7.960 2.969 437 1HG GLN 55 2HG GLN 55 6.549 -9.787 3.247 438 2HG GLN 55 1HG GLN 55 8.209 -10.320 3.510 439 1HE2 GLN 55 1HE2 GLN 55 5.524 -9.057 5.114 440 2HE2 GLN 55 2HE2 GLN 55 6.312 -8.431 6.481 441 HA PRO 56 HA PRO 56 9.551 -4.175 1.542 442 1HB PRO 56 2HB PRO 56 9.871 -4.009 -1.166 443 2HB PRO 56 1HB PRO 56 10.831 -5.098 -0.144 444 1HG PRO 56 2HG PRO 56 8.488 -5.700 -1.872 445 2HG PRO 56 1HG PRO 56 9.945 -6.657 -1.572 446 1HD PRO 56 2HD PRO 56 7.532 -7.151 -0.409 447 2HD PRO 56 1HD PRO 56 9.086 -7.607 0.314 448 H TYR 57 H TYR 57 6.428 -4.746 0.191 449 HA TYR 57 HA TYR 57 6.111 -2.000 -0.850 450 1HB TYR 57 2HB TYR 57 4.485 -4.534 -0.748 451 2HB TYR 57 1HB TYR 57 3.743 -3.008 -1.240 452 HD1 TYR 57 1HD TYR 57 5.609 -5.826 -2.352 453 HD2 TYR 57 2HD TYR 57 5.065 -1.621 -3.041 454 HE1 TYR 57 1HE TYR 57 6.606 -6.063 -4.612 455 HE2 TYR 57 2HE TYR 57 6.059 -1.860 -5.299 456 HH TYR 57 HH TYR 57 6.285 -3.869 -7.003 457 H GLU 58 H GLU 58 4.929 -3.969 1.899 458 HA GLU 58 HA GLU 58 3.150 -1.887 2.890 459 1HB GLU 58 2HB GLU 58 3.004 -3.396 4.848 460 2HB GLU 58 1HB GLU 58 2.847 -4.293 3.341 461 1HG GLU 58 2HG GLU 58 4.460 -5.638 4.211 462 2HG GLU 58 1HG GLU 58 5.562 -4.353 3.730 463 H GLN 59 H GLN 59 6.541 -2.682 3.306 464 HA GLN 59 HA GLN 59 7.018 -1.142 5.708 465 1HB GLN 59 2HB GLN 59 8.606 -2.379 3.484 466 2HB GLN 59 1HB GLN 59 9.418 -1.229 4.546 467 1HG GLN 59 2HG GLN 59 8.686 -2.549 6.514 468 2HG GLN 59 1HG GLN 59 7.928 -3.718 5.432 469 1HE2 GLN 59 1HE2 GLN 59 9.422 -4.892 3.900 470 2HE2 GLN 59 2HE2 GLN 59 11.042 -5.123 4.347 471 H LYS 60 H LYS 60 8.071 -0.432 2.358 472 HA LYS 60 HA LYS 60 8.861 2.195 2.553 473 1HB LYS 60 2HB LYS 60 8.748 0.593 0.564 474 2HB LYS 60 1HB LYS 60 7.100 1.175 0.320 475 1HG LYS 60 2HG LYS 60 8.090 3.537 0.336 476 2HG LYS 60 1HG LYS 60 9.668 2.764 0.195 477 1HD LYS 60 2HD LYS 60 8.931 1.617 -1.861 478 2HD LYS 60 1HD LYS 60 7.351 2.391 -1.725 479 1HE LYS 60 2HE LYS 60 8.474 3.830 -3.214 480 2HE LYS 60 1HE LYS 60 8.778 4.619 -1.654 481 1HZ LYS 60 1HZ LYS 60 10.554 2.612 -2.941 482 2HZ LYS 60 2HZ LYS 60 10.836 3.381 -1.452 483 3HZ LYS 60 3HZ LYS 60 10.843 4.283 -2.893 484 H ALA 61 H ALA 61 5.496 1.104 2.748 485 HA ALA 61 HA ALA 61 4.523 3.911 2.563 486 1HB ALA 61 1HB ALA 61 2.294 2.551 2.824 487 2HB ALA 61 2HB ALA 61 3.317 1.148 2.518 488 3HB ALA 61 3HB ALA 61 3.187 2.425 1.308 489 H ALA 62 H ALA 62 4.850 1.212 4.792 490 HA ALA 62 HA ALA 62 3.360 2.267 7.005 491 1HB ALA 62 1HB ALA 62 4.036 -0.036 6.972 492 2HB ALA 62 2HB ALA 62 4.952 0.707 8.283 493 3HB ALA 62 3HB ALA 62 5.728 0.396 6.730 494 H LYS 63 H LYS 63 6.739 2.697 5.976 495 HA LYS 63 HA LYS 63 7.421 4.372 8.285 496 1HB LYS 63 2HB LYS 63 9.587 4.510 7.144 497 2HB LYS 63 1HB LYS 63 9.009 2.847 7.106 498 1HG LYS 63 2HG LYS 63 8.288 3.076 4.810 499 2HG LYS 63 1HG LYS 63 8.594 4.811 4.833 500 1HD LYS 63 2HD LYS 63 11.035 4.143 5.436 501 2HD LYS 63 1HD LYS 63 10.583 2.549 4.833 502 1HE LYS 63 2HE LYS 63 11.275 3.461 2.827 503 2HE LYS 63 1HE LYS 63 9.620 4.100 2.815 504 1HZ LYS 63 1HZ LYS 63 10.391 6.068 3.967 505 2HZ LYS 63 2HZ LYS 63 11.266 5.871 2.524 506 3HZ LYS 63 3HZ LYS 63 11.975 5.462 4.014 507 H LEU 64 H LEU 64 5.672 4.932 5.443 508 HA LEU 64 HA LEU 64 6.523 7.781 5.226 509 1HB LEU 64 2HB LEU 64 5.596 5.690 3.441 510 2HB LEU 64 1HB LEU 64 4.526 7.084 3.326 511 HG LEU 64 HG LEU 64 7.187 8.106 3.399 512 1HD1 LEU 64 1HD1 LEU 64 8.149 7.009 1.391 513 2HD1 LEU 64 2HD1 LEU 64 6.827 5.843 1.413 514 3HD1 LEU 64 3HD1 LEU 64 7.987 5.885 2.741 515 1HD2 LEU 64 1HD2 LEU 64 5.248 9.114 2.243 516 2HD2 LEU 64 2HD2 LEU 64 5.243 7.780 1.088 517 3HD2 LEU 64 3HD2 LEU 64 6.603 8.902 1.134 518 H LYS 65 H LYS 65 3.923 5.684 6.268 519 HA LYS 65 HA LYS 65 1.839 7.715 6.360 520 1HB LYS 65 2HB LYS 65 1.439 5.274 6.197 521 2HB LYS 65 1HB LYS 65 2.181 5.049 7.781 522 1HG LYS 65 2HG LYS 65 0.432 6.661 8.694 523 2HG LYS 65 1HG LYS 65 -0.379 6.528 7.133 524 1HD LYS 65 2HD LYS 65 -0.647 4.133 7.410 525 2HD LYS 65 1HD LYS 65 0.315 4.158 8.888 526 1HE LYS 65 2HE LYS 65 -1.413 5.738 9.876 527 2HE LYS 65 1HE LYS 65 -2.422 5.392 8.457 528 1HZ LYS 65 1HZ LYS 65 -2.246 3.038 8.928 529 2HZ LYS 65 2HZ LYS 65 -2.883 3.846 10.279 530 3HZ LYS 65 3HZ LYS 65 -1.261 3.346 10.274 531 H GLU 66 H GLU 66 3.854 6.125 8.856 532 HA GLU 66 HA GLU 66 2.986 7.709 11.072 533 1HB GLU 66 2HB GLU 66 5.504 6.167 10.404 534 2HB GLU 66 1HB GLU 66 5.271 6.934 11.975 535 1HG GLU 66 2HG GLU 66 3.051 5.682 12.109 536 2HG GLU 66 1HG GLU 66 3.600 4.751 10.715 537 H LYS 67 H LYS 67 5.401 8.293 8.565 538 HA LYS 67 HA LYS 67 6.609 10.600 9.903 539 1HB LYS 67 2HB LYS 67 7.410 8.860 8.018 540 2HB LYS 67 1HB LYS 67 6.812 10.139 6.962 541 1HG LYS 67 2HG LYS 67 9.121 10.632 7.356 542 2HG LYS 67 1HG LYS 67 8.201 11.765 8.348 543 1HD LYS 67 2HD LYS 67 8.598 10.498 10.335 544 2HD LYS 67 1HD LYS 67 9.209 9.121 9.417 545 1HE LYS 67 2HE LYS 67 11.008 10.830 8.548 546 2HE LYS 67 1HE LYS 67 10.560 11.747 10.001 547 1HZ LYS 67 1HZ LYS 67 11.351 8.881 9.924 548 2HZ LYS 67 2HZ LYS 67 10.869 9.732 11.314 549 3HZ LYS 67 3HZ LYS 67 12.305 10.155 10.512 550 H TYR 68 H TYR 68 3.892 10.072 7.771 551 HA TYR 68 HA TYR 68 3.677 12.755 6.688 552 1HB TYR 68 2HB TYR 68 2.615 11.005 5.518 553 2HB TYR 68 1HB TYR 68 1.952 10.295 6.979 554 HD1 TYR 68 1HD TYR 68 1.481 12.786 4.331 555 HD2 TYR 68 2HD TYR 68 -0.057 11.273 8.046 556 HE1 TYR 68 1HE TYR 68 -0.678 13.932 3.908 557 HE2 TYR 68 2HE TYR 68 -2.212 12.423 7.624 558 HH TYR 68 HH TYR 68 -3.437 13.221 5.279 559 H GLU 69 H GLU 69 2.476 11.136 9.571 560 HA GLU 69 HA GLU 69 0.604 13.123 10.456 561 1HB GLU 69 2HB GLU 69 2.307 11.064 11.899 562 2HB GLU 69 1HB GLU 69 1.018 11.978 12.682 563 1HG GLU 69 2HG GLU 69 -0.459 11.127 10.705 564 2HG GLU 69 1HG GLU 69 0.805 9.913 10.503 565 H LYS 70 H LYS 70 4.123 12.835 10.814 566 HA LYS 70 HA LYS 70 4.242 15.185 12.620 567 1HB LYS 70 2HB LYS 70 6.046 13.022 11.608 568 2HB LYS 70 1HB LYS 70 6.801 14.533 12.113 569 1HG LYS 70 2HG LYS 70 6.764 13.370 14.128 570 2HG LYS 70 1HG LYS 70 5.238 14.251 14.224 571 1HD LYS 70 2HD LYS 70 4.565 12.073 14.746 572 2HD LYS 70 1HD LYS 70 4.256 12.143 13.010 573 1HE LYS 70 2HE LYS 70 6.107 10.808 12.490 574 2HE LYS 70 1HE LYS 70 6.948 11.218 13.999 575 1HZ LYS 70 1HZ LYS 70 5.230 10.053 15.236 576 2HZ LYS 70 2HZ LYS 70 5.969 9.003 14.124 577 3HZ LYS 70 3HZ LYS 70 4.432 9.646 13.795 578 H ASP 71 H ASP 71 4.934 14.209 9.314 579 HA ASP 71 HA ASP 71 6.348 16.546 8.413 580 1HB ASP 71 2HB ASP 71 4.900 14.215 7.306 581 2HB ASP 71 1HB ASP 71 4.943 15.607 6.239 582 H ILE 72 H ILE 72 2.934 15.620 8.022 583 HA ILE 72 HA ILE 72 1.909 18.001 6.926 584 HB ILE 72 HB ILE 72 0.811 15.831 8.726 585 1HG1 ILE 72 2HG1 ILE 72 1.503 15.249 6.434 586 2HG1 ILE 72 1HG1 ILE 72 -0.236 15.087 6.646 587 1HG2 ILE 72 1HG2 ILE 72 -0.611 18.252 7.636 588 2HG2 ILE 72 2HG2 ILE 72 -0.769 17.493 9.220 589 3HG2 ILE 72 3HG2 ILE 72 -1.475 16.724 7.799 590 1HD1 ILE 72 1HD1 ILE 72 1.187 16.720 4.757 591 2HD1 ILE 72 2HD1 ILE 72 0.240 17.765 5.813 592 3HD1 ILE 72 3HD1 ILE 72 -0.553 16.479 4.903 593 H ALA 73 H ALA 73 2.206 17.147 10.405 594 HA ALA 73 HA ALA 73 1.051 19.516 11.486 595 1HB ALA 73 1HB ALA 73 2.443 18.864 13.488 596 2HB ALA 73 2HB ALA 73 3.247 17.667 12.473 597 3HB ALA 73 3HB ALA 73 1.522 17.525 12.804 598 H ALA 74 H ALA 74 4.539 18.774 11.139 599 HA ALA 74 HA ALA 74 5.518 21.373 11.753 600 1HB ALA 74 1HB ALA 74 6.692 19.317 9.854 601 2HB ALA 74 2HB ALA 74 6.789 19.204 11.611 602 3HB ALA 74 3HB ALA 74 7.583 20.534 10.768 603 H TYR 75 H TYR 75 4.525 19.940 8.659 604 HA TYR 75 HA TYR 75 5.301 22.250 7.056 605 1HB TYR 75 2HB TYR 75 4.946 19.708 6.478 606 2HB TYR 75 1HB TYR 75 3.261 20.186 6.267 607 HD1 TYR 75 1HD TYR 75 6.671 20.466 4.955 608 HD2 TYR 75 2HD TYR 75 2.621 21.839 4.546 609 HE1 TYR 75 1HE TYR 75 7.210 21.389 2.717 610 HE2 TYR 75 2HE TYR 75 3.160 22.762 2.309 611 HH TYR 75 HH TYR 75 5.996 23.473 1.250 612 H ARG 76 H ARG 76 2.533 21.419 8.995 613 HA ARG 76 HA ARG 76 0.480 22.889 7.653 614 1HB ARG 76 2HB ARG 76 0.163 21.256 9.497 615 2HB ARG 76 1HB ARG 76 0.920 22.388 10.617 616 1HG ARG 76 2HG ARG 76 -0.845 24.005 10.285 617 2HG ARG 76 1HG ARG 76 -1.543 23.043 8.983 618 1HD ARG 76 2HD ARG 76 -2.891 22.490 10.853 619 2HD ARG 76 1HD ARG 76 -1.717 21.160 10.801 620 HE ARG 76 HE ARG 76 -0.630 22.085 12.712 621 1HH1 ARG 76 1HH2 ARG 76 -3.289 22.803 13.744 622 2HH1 ARG 76 2HH2 ARG 76 -3.151 24.503 14.041 623 1HH2 ARG 76 1HH1 ARG 76 -0.320 24.887 12.075 624 2HH2 ARG 76 2HH1 ARG 76 -1.470 25.683 13.096 625 H ALA 77 H ALA 77 2.101 23.961 10.667 626 HA ALA 77 HA ALA 77 1.391 26.693 10.459 627 1HB ALA 77 1HB ALA 77 3.587 25.146 11.816 628 2HB ALA 77 2HB ALA 77 2.164 25.898 12.538 629 3HB ALA 77 3HB ALA 77 3.502 26.901 11.975 630 H LYS 78 H LYS 78 4.755 25.652 10.117 631 HA LYS 78 HA LYS 78 5.239 27.844 8.180 632 1HB LYS 78 2HB LYS 78 6.657 27.354 10.222 633 2HB LYS 78 1HB LYS 78 7.157 25.857 9.433 634 1HG LYS 78 2HG LYS 78 8.089 27.106 7.558 635 2HG LYS 78 1HG LYS 78 7.501 28.623 8.240 636 1HD LYS 78 2HD LYS 78 9.768 28.551 8.902 637 2HD LYS 78 1HD LYS 78 8.893 27.992 10.329 638 1HE LYS 78 2HE LYS 78 9.275 25.622 9.559 639 2HE LYS 78 1HE LYS 78 10.318 26.267 8.275 640 1HZ LYS 78 1HZ LYS 78 10.637 26.790 11.184 641 2HZ LYS 78 2HZ LYS 78 11.626 27.413 9.951 642 3HZ LYS 78 3HZ LYS 78 11.605 25.744 10.266 Start of MODEL 24 1 1H MET 1 1HT MET 1 -9.376 19.346 -2.727 2 2H MET 1 2HT MET 1 -9.727 18.079 -1.652 3 3H MET 1 3HT MET 1 -8.729 17.802 -2.998 4 HA MET 1 HA MET 1 -8.077 19.520 -0.656 5 1HB MET 1 2HB MET 1 -7.419 16.746 -1.619 6 2HB MET 1 1HB MET 1 -6.260 17.618 -0.614 7 1HG MET 1 2HG MET 1 -7.917 17.897 1.143 8 2HG MET 1 1HG MET 1 -9.167 17.180 0.127 9 1HE MET 1 1HE MET 1 -9.902 15.537 1.747 10 2HE MET 1 2HE MET 1 -8.772 16.049 2.997 11 3HE MET 1 3HE MET 1 -8.916 14.339 2.597 12 H LYS 2 H LYS 2 -6.822 17.995 -3.647 13 HA LYS 2 HA LYS 2 -5.142 18.699 -5.147 14 1HB LYS 2 2HB LYS 2 -6.826 20.967 -4.363 15 2HB LYS 2 1HB LYS 2 -5.236 21.476 -4.931 16 1HG LYS 2 2HG LYS 2 -6.417 21.361 -6.937 17 2HG LYS 2 1HG LYS 2 -5.698 19.752 -6.868 18 1HD LYS 2 2HD LYS 2 -8.341 20.122 -5.537 19 2HD LYS 2 1HD LYS 2 -8.318 20.107 -7.301 20 1HE LYS 2 2HE LYS 2 -6.707 17.973 -6.796 21 2HE LYS 2 1HE LYS 2 -7.799 17.891 -5.400 22 1HZ LYS 2 1HZ LYS 2 -8.624 18.147 -8.244 23 2HZ LYS 2 2HZ LYS 2 -9.680 18.137 -6.914 24 3HZ LYS 2 3HZ LYS 2 -8.773 16.751 -7.293 25 H LYS 3 H LYS 3 -3.308 17.926 -3.943 26 HA LYS 3 HA LYS 3 -2.060 19.562 -1.863 27 1HB LYS 3 2HB LYS 3 -0.360 17.756 -1.962 28 2HB LYS 3 1HB LYS 3 -1.993 17.097 -1.892 29 1HG LYS 3 2HG LYS 3 -1.508 17.422 -4.631 30 2HG LYS 3 1HG LYS 3 0.024 16.832 -3.990 31 1HD LYS 3 2HD LYS 3 -1.030 14.894 -3.030 32 2HD LYS 3 1HD LYS 3 -2.639 15.532 -3.367 33 1HE LYS 3 2HE LYS 3 -1.719 15.573 -5.874 34 2HE LYS 3 1HE LYS 3 -0.673 14.283 -5.246 35 1HZ LYS 3 1HZ LYS 3 -2.796 13.392 -6.018 36 2HZ LYS 3 2HZ LYS 3 -3.628 14.409 -4.942 37 3HZ LYS 3 3HZ LYS 3 -2.619 13.179 -4.345 38 H ASP 4 H ASP 4 0.148 20.441 -2.085 39 HA ASP 4 HA ASP 4 0.546 21.774 -4.689 40 1HB ASP 4 2HB ASP 4 1.369 22.050 -1.857 41 2HB ASP 4 1HB ASP 4 2.580 22.562 -3.033 42 HA PRO 5 HA PRO 5 3.893 19.260 -6.063 43 1HB PRO 5 2HB PRO 5 5.851 21.025 -6.802 44 2HB PRO 5 1HB PRO 5 4.359 20.790 -7.735 45 1HG PRO 5 2HG PRO 5 5.068 22.950 -5.813 46 2HG PRO 5 1HG PRO 5 4.188 23.047 -7.347 47 1HD PRO 5 2HD PRO 5 2.963 23.083 -4.918 48 2HD PRO 5 1HD PRO 5 2.192 22.455 -6.392 49 H ASN 6 H ASN 6 4.697 21.688 -3.641 50 HA ASN 6 HA ASN 6 7.212 20.363 -2.856 51 1HB ASN 6 2HB ASN 6 5.578 22.691 -1.800 52 2HB ASN 6 1HB ASN 6 7.130 22.200 -1.118 53 1HD2 ASN 6 1HD2 ASN 6 8.964 22.020 -2.874 54 2HD2 ASN 6 2HD2 ASN 6 8.982 23.234 -4.060 55 H ALA 7 H ALA 7 3.860 20.570 -1.759 56 HA ALA 7 HA ALA 7 4.207 19.388 0.848 57 1HB ALA 7 1HB ALA 7 1.736 18.981 0.576 58 2HB ALA 7 2HB ALA 7 1.884 19.498 -1.103 59 3HB ALA 7 3HB ALA 7 2.218 20.636 0.201 60 HA PRO 8 HA PRO 8 4.636 15.179 -0.266 61 1HB PRO 8 2HB PRO 8 3.564 13.906 1.877 62 2HB PRO 8 1HB PRO 8 5.157 14.678 1.859 63 1HG PRO 8 2HG PRO 8 2.699 15.547 3.155 64 2HG PRO 8 1HG PRO 8 4.381 15.975 3.433 65 1HD PRO 8 2HD PRO 8 2.433 17.533 2.084 66 2HD PRO 8 1HD PRO 8 4.152 17.901 2.330 67 H LYS 9 H LYS 9 3.500 13.683 -1.486 68 HA LYS 9 HA LYS 9 0.731 14.192 -2.142 69 1HB LYS 9 2HB LYS 9 2.822 12.142 -2.818 70 2HB LYS 9 1HB LYS 9 1.159 11.914 -3.364 71 1HG LYS 9 2HG LYS 9 2.093 13.107 -5.146 72 2HG LYS 9 1HG LYS 9 1.367 14.394 -4.183 73 1HD LYS 9 2HD LYS 9 3.458 15.027 -3.254 74 2HD LYS 9 1HD LYS 9 4.233 13.533 -3.778 75 1HE LYS 9 2HE LYS 9 3.795 14.265 -6.176 76 2HE LYS 9 1HE LYS 9 3.328 15.847 -5.518 77 1HZ LYS 9 1HZ LYS 9 5.897 14.453 -4.975 78 2HZ LYS 9 2HZ LYS 9 5.441 15.974 -4.373 79 3HZ LYS 9 3HZ LYS 9 5.705 15.761 -6.037 80 H ARG 10 H ARG 10 -0.667 12.029 -2.315 81 HA ARG 10 HA ARG 10 -1.645 11.402 0.281 82 1HB ARG 10 2HB ARG 10 -1.876 10.133 -2.451 83 2HB ARG 10 1HB ARG 10 -2.737 9.470 -1.062 84 1HG ARG 10 2HG ARG 10 -3.481 11.988 -0.724 85 2HG ARG 10 1HG ARG 10 -3.118 12.099 -2.447 86 1HD ARG 10 2HD ARG 10 -5.340 11.417 -2.563 87 2HD ARG 10 1HD ARG 10 -4.556 9.826 -2.496 88 HE ARG 10 HE ARG 10 -4.794 10.382 0.147 89 1HH1 ARG 10 1HH2 ARG 10 -6.994 12.079 -1.596 90 2HH1 ARG 10 2HH2 ARG 10 -8.404 11.249 -1.027 91 1HH2 ARG 10 1HH1 ARG 10 -6.612 8.710 0.511 92 2HH2 ARG 10 2HH1 ARG 10 -8.188 9.340 0.165 93 HA PRO 11 HA PRO 11 1.345 8.340 1.475 94 1HB PRO 11 2HB PRO 11 0.052 7.287 3.640 95 2HB PRO 11 1HB PRO 11 0.844 8.874 3.668 96 1HG PRO 11 2HG PRO 11 -2.031 8.202 3.470 97 2HG PRO 11 1HG PRO 11 -1.242 9.585 4.238 98 1HD PRO 11 2HD PRO 11 -2.510 9.624 1.771 99 2HD PRO 11 1HD PRO 11 -1.336 10.825 2.344 100 HA PRO 12 HA PRO 12 -0.346 4.708 -0.489 101 1HB PRO 12 2HB PRO 12 1.681 2.949 0.045 102 2HB PRO 12 1HB PRO 12 1.802 4.208 -1.198 103 1HG PRO 12 2HG PRO 12 2.908 4.163 1.563 104 2HG PRO 12 1HG PRO 12 3.624 4.789 0.070 105 1HD PRO 12 2HD PRO 12 2.478 6.370 1.971 106 2HD PRO 12 1HD PRO 12 2.556 6.802 0.249 107 H SER 13 H SER 13 -0.198 2.102 0.363 108 HA SER 13 HA SER 13 -0.607 1.836 3.246 109 1HB SER 13 2HB SER 13 -2.867 2.139 1.292 110 2HB SER 13 1HB SER 13 -3.087 1.144 2.728 111 HG SER 13 HG SER 13 -3.407 3.667 2.641 112 H ALA 14 H ALA 14 1.036 0.424 1.333 113 HA ALA 14 HA ALA 14 1.652 -1.797 0.908 114 1HB ALA 14 1HB ALA 14 1.011 -3.198 2.568 115 2HB ALA 14 2HB ALA 14 -0.671 -3.139 2.042 116 3HB ALA 14 3HB ALA 14 -0.050 -1.914 3.148 117 H PHE 15 H PHE 15 -1.924 -2.113 0.873 118 HA PHE 15 HA PHE 15 -2.012 -3.511 -1.606 119 1HB PHE 15 2HB PHE 15 -3.828 -3.469 0.046 120 2HB PHE 15 1HB PHE 15 -4.051 -1.738 -0.210 121 HD1 PHE 15 1HD PHE 15 -5.774 -1.097 -1.634 122 HD2 PHE 15 2HD PHE 15 -3.847 -4.884 -2.266 123 HE1 PHE 15 1HE PHE 15 -7.307 -1.561 -3.528 124 HE2 PHE 15 2HE PHE 15 -5.382 -5.348 -4.159 125 HZ PHE 15 HZ PHE 15 -7.110 -3.686 -4.793 126 H PHE 16 H PHE 16 -1.831 -0.066 -0.909 127 HA PHE 16 HA PHE 16 -2.717 0.876 -3.488 128 1HB PHE 16 2HB PHE 16 -2.335 2.035 -1.132 129 2HB PHE 16 1HB PHE 16 -0.724 2.343 -1.782 130 HD1 PHE 16 1HD PHE 16 -4.194 3.333 -1.823 131 HD2 PHE 16 2HD PHE 16 -0.522 3.505 -4.045 132 HE1 PHE 16 1HE PHE 16 -5.089 5.224 -3.156 133 HE2 PHE 16 2HE PHE 16 -1.417 5.395 -5.379 134 HZ PHE 16 HZ PHE 16 -3.700 6.254 -4.933 135 H LEU 17 H LEU 17 0.420 -0.174 -2.228 136 HA LEU 17 HA LEU 17 2.006 0.785 -4.465 137 1HB LEU 17 2HB LEU 17 2.307 -1.370 -2.354 138 2HB LEU 17 1HB LEU 17 3.568 -1.052 -3.545 139 HG LEU 17 HG LEU 17 3.260 1.448 -2.756 140 1HD1 LEU 17 1HD1 LEU 17 1.913 -0.197 -0.648 141 2HD1 LEU 17 2HD1 LEU 17 1.518 1.421 -1.230 142 3HD1 LEU 17 3HD1 LEU 17 2.883 1.185 -0.140 143 1HD2 LEU 17 1HD2 LEU 17 5.335 0.194 -2.490 144 2HD2 LEU 17 2HD2 LEU 17 4.658 -0.692 -1.124 145 3HD2 LEU 17 3HD2 LEU 17 4.976 1.038 -0.984 146 H PHE 18 H PHE 18 1.260 -2.541 -3.584 147 HA PHE 18 HA PHE 18 1.638 -4.016 -5.854 148 1HB PHE 18 2HB PHE 18 0.718 -4.913 -3.770 149 2HB PHE 18 1HB PHE 18 -0.804 -4.068 -4.047 150 HD1 PHE 18 1HD PHE 18 1.429 -6.742 -5.377 151 HD2 PHE 18 2HD PHE 18 -2.491 -4.985 -5.454 152 HE1 PHE 18 1HE PHE 18 0.591 -8.670 -6.692 153 HE2 PHE 18 2HE PHE 18 -3.329 -6.913 -6.769 154 HZ PHE 18 HZ PHE 18 -1.791 -8.757 -7.388 155 H CYS 19 H CYS 19 -1.568 -2.406 -5.303 156 HA CYS 19 HA CYS 19 -2.508 -2.847 -7.954 157 1HB CYS 19 2HB CYS 19 -3.845 -2.259 -5.912 158 2HB CYS 19 1HB CYS 19 -3.211 -0.621 -6.028 159 HG CYS 19 HG CYS 19 -4.838 -0.132 -7.826 160 H SER 20 H SER 20 -0.793 -0.079 -6.523 161 HA SER 20 HA SER 20 -0.969 1.717 -8.720 162 1HB SER 20 2HB SER 20 -0.169 2.427 -6.563 163 2HB SER 20 1HB SER 20 1.143 1.256 -6.598 164 HG SER 20 HG SER 20 0.785 3.446 -8.374 165 H GLU 21 H GLU 21 1.234 -1.027 -8.177 166 HA GLU 21 HA GLU 21 2.825 -0.325 -10.558 167 1HB GLU 21 2HB GLU 21 4.137 -2.309 -9.881 168 2HB GLU 21 1HB GLU 21 3.884 -1.212 -8.527 169 1HG GLU 21 2HG GLU 21 2.266 -2.616 -7.539 170 2HG GLU 21 1HG GLU 21 2.014 -3.520 -9.030 171 H HIS 22 H HIS 22 0.206 -2.611 -9.725 172 HA HIS 22 HA HIS 22 0.513 -3.957 -12.357 173 1HB HIS 22 2HB HIS 22 -1.180 -4.405 -9.883 174 2HB HIS 22 1HB HIS 22 -1.304 -5.401 -11.332 175 HD1 HIS 22 1HD HIS 22 1.194 -6.396 -12.126 176 HD2 HIS 22 2HD HIS 22 0.675 -5.390 -8.114 177 HE1 HIS 22 1HE HIS 22 3.003 -7.618 -10.841 178 H ARG 23 H ARG 23 -0.725 -1.097 -11.647 179 HA ARG 23 HA ARG 23 -3.501 -1.364 -12.496 180 1HB ARG 23 2HB ARG 23 -2.700 0.367 -10.932 181 2HB ARG 23 1HB ARG 23 -1.680 1.046 -12.196 182 1HG ARG 23 2HG ARG 23 -3.488 1.878 -13.403 183 2HG ARG 23 1HG ARG 23 -4.608 0.694 -12.731 184 1HD ARG 23 2HD ARG 23 -3.352 2.945 -11.122 185 2HD ARG 23 1HD ARG 23 -4.990 2.991 -11.803 186 HE ARG 23 HE ARG 23 -4.590 0.553 -10.308 187 1HH1 ARG 23 1HH2 ARG 23 -6.965 2.527 -10.310 188 2HH1 ARG 23 2HH2 ARG 23 -6.953 3.033 -8.653 189 1HH2 ARG 23 1HH1 ARG 23 -3.767 1.815 -8.028 190 2HH2 ARG 23 2HH1 ARG 23 -5.142 2.631 -7.363 191 HA PRO 24 HA PRO 24 -1.813 0.446 -16.580 192 1HB PRO 24 2HB PRO 24 0.859 0.251 -17.118 193 2HB PRO 24 1HB PRO 24 0.131 1.662 -16.326 194 1HG PRO 24 2HG PRO 24 1.659 -0.592 -15.147 195 2HG PRO 24 1HG PRO 24 1.644 1.121 -14.702 196 1HD PRO 24 2HD PRO 24 0.314 -0.843 -13.337 197 2HD PRO 24 1HD PRO 24 -0.139 0.872 -13.318 198 H LYS 25 H LYS 25 -0.993 -2.521 -15.118 199 HA LYS 25 HA LYS 25 -0.263 -3.920 -17.612 200 1HB LYS 25 2HB LYS 25 0.664 -4.333 -15.260 201 2HB LYS 25 1HB LYS 25 -0.902 -5.048 -14.875 202 1HG LYS 25 2HG LYS 25 0.251 -6.937 -15.572 203 2HG LYS 25 1HG LYS 25 -0.457 -6.416 -17.102 204 1HD LYS 25 2HD LYS 25 1.606 -5.261 -17.710 205 2HD LYS 25 1HD LYS 25 2.318 -5.655 -16.145 206 1HE LYS 25 2HE LYS 25 1.274 -7.947 -17.745 207 2HE LYS 25 1HE LYS 25 2.770 -7.179 -18.313 208 1HZ LYS 25 1HZ LYS 25 2.224 -8.174 -15.565 209 2HZ LYS 25 2HZ LYS 25 3.612 -7.304 -16.016 210 3HZ LYS 25 3HZ LYS 25 3.317 -8.841 -16.678 211 H ILE 26 H ILE 26 -2.959 -3.876 -15.259 212 HA ILE 26 HA ILE 26 -4.600 -5.798 -16.649 213 HB ILE 26 HB ILE 26 -5.314 -3.534 -14.750 214 1HG1 ILE 26 2HG1 ILE 26 -3.634 -5.066 -13.807 215 2HG1 ILE 26 1HG1 ILE 26 -5.183 -5.295 -13.005 216 1HG2 ILE 26 1HG2 ILE 26 -6.846 -5.805 -15.938 217 2HG2 ILE 26 2HG2 ILE 26 -7.398 -4.194 -15.481 218 3HG2 ILE 26 3HG2 ILE 26 -7.145 -5.425 -14.242 219 1HD1 ILE 26 1HD1 ILE 26 -4.308 -7.486 -13.474 220 2HD1 ILE 26 2HD1 ILE 26 -3.953 -7.049 -15.146 221 3HD1 ILE 26 3HD1 ILE 26 -5.627 -7.204 -14.611 222 H LYS 27 H LYS 27 -3.990 -2.385 -17.101 223 HA LYS 27 HA LYS 27 -6.367 -1.793 -18.677 224 1HB LYS 27 2HB LYS 27 -3.692 -0.522 -18.115 225 2HB LYS 27 1HB LYS 27 -4.763 0.167 -19.334 226 1HG LYS 27 2HG LYS 27 -6.536 0.449 -17.708 227 2HG LYS 27 1HG LYS 27 -5.605 -0.412 -16.482 228 1HD LYS 27 2HD LYS 27 -5.035 1.727 -15.871 229 2HD LYS 27 1HD LYS 27 -3.810 1.491 -17.117 230 1HE LYS 27 2HE LYS 27 -6.416 2.428 -18.155 231 2HE LYS 27 1HE LYS 27 -5.575 3.587 -17.106 232 1HZ LYS 27 1HZ LYS 27 -4.222 2.089 -19.279 233 2HZ LYS 27 2HZ LYS 27 -3.616 3.406 -18.393 234 3HZ LYS 27 3HZ LYS 27 -4.881 3.635 -19.504 235 H SER 28 H SER 28 -3.226 -3.220 -19.323 236 HA SER 28 HA SER 28 -3.209 -2.779 -22.197 237 1HB SER 28 2HB SER 28 -1.805 -4.737 -20.349 238 2HB SER 28 1HB SER 28 -1.411 -4.544 -22.056 239 HG SER 28 HG SER 28 -0.220 -2.937 -21.437 240 H GLU 29 H GLU 29 -4.008 -5.576 -20.116 241 HA GLU 29 HA GLU 29 -5.016 -7.172 -22.361 242 1HB GLU 29 2HB GLU 29 -5.004 -7.433 -19.342 243 2HB GLU 29 1HB GLU 29 -5.687 -8.666 -20.403 244 1HG GLU 29 2HG GLU 29 -2.864 -7.636 -20.739 245 2HG GLU 29 1HG GLU 29 -3.249 -9.012 -19.704 246 H HIS 30 H HIS 30 -6.292 -4.532 -20.753 247 HA HIS 30 HA HIS 30 -9.048 -5.221 -21.578 248 1HB HIS 30 2HB HIS 30 -8.256 -4.344 -18.774 249 2HB HIS 30 1HB HIS 30 -9.908 -4.564 -19.343 250 HD1 HIS 30 1HD HIS 30 -10.794 -6.962 -19.558 251 HD2 HIS 30 2HD HIS 30 -6.785 -6.795 -18.439 252 HE1 HIS 30 1HE HIS 30 -10.151 -9.308 -18.849 253 HA PRO 31 HA PRO 31 -7.570 -0.932 -22.529 254 1HB PRO 31 2HB PRO 31 -8.915 -0.761 -24.924 255 2HB PRO 31 1HB PRO 31 -7.284 -1.448 -24.767 256 1HG PRO 31 2HG PRO 31 -9.921 -2.854 -24.886 257 2HG PRO 31 1HG PRO 31 -8.402 -3.241 -25.715 258 1HD PRO 31 2HD PRO 31 -9.162 -4.573 -23.517 259 2HD PRO 31 1HD PRO 31 -7.451 -4.185 -23.818 260 H GLY 32 H GLY 32 -8.788 0.152 -21.003 261 1HA GLY 32 2HA GLY 32 -10.578 1.669 -20.515 262 2HA GLY 32 1HA GLY 32 -11.545 0.894 -21.772 263 H LEU 33 H LEU 33 -9.911 -0.157 -18.733 264 HA LEU 33 HA LEU 33 -12.350 -1.745 -18.065 265 1HB LEU 33 2HB LEU 33 -10.026 -2.801 -18.419 266 2HB LEU 33 1HB LEU 33 -9.507 -1.924 -16.991 267 HG LEU 33 HG LEU 33 -10.226 -4.390 -16.708 268 1HD1 LEU 33 1HD1 LEU 33 -10.022 -2.414 -14.973 269 2HD1 LEU 33 2HD1 LEU 33 -10.694 -3.973 -14.496 270 3HD1 LEU 33 3HD1 LEU 33 -11.768 -2.624 -14.863 271 1HD2 LEU 33 1HD2 LEU 33 -12.417 -3.932 -18.038 272 2HD2 LEU 33 2HD2 LEU 33 -13.012 -3.245 -16.526 273 3HD2 LEU 33 3HD2 LEU 33 -12.513 -4.936 -16.592 274 H SER 34 H SER 34 -13.182 -1.366 -15.792 275 HA SER 34 HA SER 34 -12.676 1.357 -14.860 276 1HB SER 34 2HB SER 34 -14.386 0.664 -13.165 277 2HB SER 34 1HB SER 34 -14.898 0.342 -14.820 278 HG SER 34 HG SER 34 -15.256 -1.470 -13.513 279 H ILE 35 H ILE 35 -12.057 1.787 -12.564 280 HA ILE 35 HA ILE 35 -9.665 0.301 -11.809 281 HB ILE 35 HB ILE 35 -11.245 2.496 -10.423 282 1HG1 ILE 35 2HG1 ILE 35 -8.734 2.730 -12.104 283 2HG1 ILE 35 1HG1 ILE 35 -10.353 2.953 -12.769 284 1HG2 ILE 35 1HG2 ILE 35 -9.801 1.556 -8.787 285 2HG2 ILE 35 2HG2 ILE 35 -8.906 2.935 -9.424 286 3HG2 ILE 35 3HG2 ILE 35 -8.507 1.303 -9.957 287 1HD1 ILE 35 1HD1 ILE 35 -10.780 4.748 -11.126 288 2HD1 ILE 35 2HD1 ILE 35 -9.373 5.119 -12.122 289 3HD1 ILE 35 3HD1 ILE 35 -9.156 4.532 -10.474 290 H GLY 36 H GLY 36 -12.942 -0.357 -11.272 291 1HA GLY 36 2HA GLY 36 -12.581 -1.400 -8.535 292 2HA GLY 36 1HA GLY 36 -14.085 -1.410 -9.457 293 H ASP 37 H ASP 37 -13.233 -2.640 -11.813 294 HA ASP 37 HA ASP 37 -13.324 -5.423 -11.110 295 1HB ASP 37 2HB ASP 37 -12.689 -3.877 -13.632 296 2HB ASP 37 1HB ASP 37 -12.794 -5.636 -13.609 297 H THR 38 H THR 38 -10.645 -3.500 -12.550 298 HA THR 38 HA THR 38 -8.692 -5.592 -12.411 299 HB THR 38 HB THR 38 -8.510 -3.573 -13.818 300 HG1 THR 38 1HG THR 38 -6.488 -3.721 -11.837 301 1HG2 THR 38 1HG2 THR 38 -7.696 -1.890 -11.504 302 2HG2 THR 38 2HG2 THR 38 -9.424 -2.158 -11.731 303 3HG2 THR 38 3HG2 THR 38 -8.469 -1.425 -13.019 304 H ALA 39 H ALA 39 -9.770 -3.198 -10.062 305 HA ALA 39 HA ALA 39 -7.617 -3.650 -8.151 306 1HB ALA 39 1HB ALA 39 -10.370 -2.386 -8.032 307 2HB ALA 39 2HB ALA 39 -8.817 -1.560 -8.157 308 3HB ALA 39 3HB ALA 39 -9.257 -2.387 -6.663 309 H LYS 40 H LYS 40 -10.875 -4.932 -8.665 310 HA LYS 40 HA LYS 40 -11.105 -6.409 -6.200 311 1HB LYS 40 2HB LYS 40 -12.332 -6.499 -8.955 312 2HB LYS 40 1HB LYS 40 -12.718 -7.759 -7.783 313 1HG LYS 40 2HG LYS 40 -13.688 -6.222 -6.272 314 2HG LYS 40 1HG LYS 40 -12.928 -4.838 -7.059 315 1HD LYS 40 2HD LYS 40 -15.102 -4.690 -7.885 316 2HD LYS 40 1HD LYS 40 -14.317 -5.636 -9.150 317 1HE LYS 40 2HE LYS 40 -15.270 -7.669 -8.385 318 2HE LYS 40 1HE LYS 40 -15.688 -6.974 -6.806 319 1HZ LYS 40 1HZ LYS 40 -17.208 -5.461 -7.883 320 2HZ LYS 40 2HZ LYS 40 -17.611 -7.056 -8.310 321 3HZ LYS 40 3HZ LYS 40 -16.787 -6.061 -9.413 322 H LYS 41 H LYS 41 -9.975 -7.243 -9.464 323 HA LYS 41 HA LYS 41 -9.273 -9.987 -8.893 324 1HB LYS 41 2HB LYS 41 -9.572 -8.688 -11.132 325 2HB LYS 41 1HB LYS 41 -7.898 -8.185 -10.894 326 1HG LYS 41 2HG LYS 41 -7.184 -10.529 -10.781 327 2HG LYS 41 1HG LYS 41 -8.858 -11.060 -10.956 328 1HD LYS 41 2HD LYS 41 -8.956 -9.893 -13.162 329 2HD LYS 41 1HD LYS 41 -7.244 -9.499 -12.994 330 1HE LYS 41 2HE LYS 41 -6.610 -11.816 -13.058 331 2HE LYS 41 1HE LYS 41 -8.296 -12.344 -12.890 332 1HZ LYS 41 1HZ LYS 41 -7.213 -10.726 -15.137 333 2HZ LYS 41 2HZ LYS 41 -8.825 -11.235 -14.966 334 3HZ LYS 41 3HZ LYS 41 -7.592 -12.378 -15.214 335 H LEU 42 H LEU 42 -7.310 -7.009 -9.092 336 HA LEU 42 HA LEU 42 -4.774 -7.951 -8.388 337 1HB LEU 42 2HB LEU 42 -6.335 -5.462 -8.240 338 2HB LEU 42 1HB LEU 42 -5.018 -5.527 -7.070 339 HG LEU 42 HG LEU 42 -3.445 -6.099 -8.903 340 1HD1 LEU 42 1HD1 LEU 42 -4.093 -6.363 -11.100 341 2HD1 LEU 42 2HD1 LEU 42 -5.474 -5.278 -10.932 342 3HD1 LEU 42 3HD1 LEU 42 -5.568 -6.929 -10.320 343 1HD2 LEU 42 1HD2 LEU 42 -4.895 -3.658 -9.829 344 2HD2 LEU 42 2HD2 LEU 42 -3.173 -3.891 -9.522 345 3HD2 LEU 42 3HD2 LEU 42 -4.292 -3.692 -8.173 346 H GLY 43 H GLY 43 -7.214 -6.696 -6.061 347 1HA GLY 43 2HA GLY 43 -5.835 -7.233 -3.674 348 2HA GLY 43 1HA GLY 43 -7.596 -7.253 -3.804 349 H GLU 44 H GLU 44 -7.499 -9.455 -5.814 350 HA GLU 44 HA GLU 44 -7.601 -11.711 -3.993 351 1HB GLU 44 2HB GLU 44 -8.842 -11.228 -6.238 352 2HB GLU 44 1HB GLU 44 -7.377 -11.845 -7.004 353 1HG GLU 44 2HG GLU 44 -7.607 -13.976 -5.925 354 2HG GLU 44 1HG GLU 44 -8.885 -13.372 -4.869 355 H MET 45 H MET 45 -5.273 -10.453 -6.350 356 HA MET 45 HA MET 45 -3.403 -12.686 -6.042 357 1HB MET 45 2HB MET 45 -3.463 -9.998 -7.414 358 2HB MET 45 1HB MET 45 -1.970 -10.936 -7.348 359 1HG MET 45 2HG MET 45 -3.042 -12.818 -8.452 360 2HG MET 45 1HG MET 45 -4.605 -12.001 -8.404 361 1HE MET 45 1HE MET 45 -5.073 -12.311 -10.722 362 2HE MET 45 2HE MET 45 -3.573 -13.110 -11.183 363 3HE MET 45 3HE MET 45 -4.153 -11.734 -12.119 364 H TRP 46 H TRP 46 -3.617 -9.296 -4.929 365 HA TRP 46 HA TRP 46 -1.151 -8.995 -3.585 366 1HB TRP 46 2HB TRP 46 -2.758 -7.209 -3.902 367 2HB TRP 46 1HB TRP 46 -3.961 -8.034 -2.922 368 HD1 TRP 46 HD TRP 46 -4.134 -6.959 -0.622 369 HE1 TRP 46 1HE TRP 46 -2.491 -5.869 1.041 370 HE3 TRP 46 3HE TRP 46 0.199 -7.377 -3.270 371 HZ2 TRP 46 2HZ TRP 46 0.302 -5.254 1.213 372 HZ3 TRP 46 3HZ TRP 46 2.338 -6.528 -2.344 373 HH2 TRP 46 HH TRP 46 2.386 -5.471 -0.110 374 H SER 47 H SER 47 -4.187 -10.439 -2.325 375 HA SER 47 HA SER 47 -3.139 -11.096 0.281 376 1HB SER 47 2HB SER 47 -5.549 -10.899 -0.411 377 2HB SER 47 1HB SER 47 -5.368 -12.400 -1.315 378 HG SER 47 HG SER 47 -6.159 -12.430 0.996 379 H GLU 48 H GLU 48 -2.466 -12.426 -2.806 380 HA GLU 48 HA GLU 48 -1.678 -15.064 -1.675 381 1HB GLU 48 2HB GLU 48 -2.353 -13.976 -4.411 382 2HB GLU 48 1HB GLU 48 -1.544 -15.530 -4.217 383 1HG GLU 48 2HG GLU 48 -4.087 -14.883 -2.727 384 2HG GLU 48 1HG GLU 48 -4.119 -15.561 -4.355 385 H GLN 49 H GLN 49 -0.413 -12.027 -2.720 386 HA GLN 49 HA GLN 49 2.065 -12.761 -3.897 387 1HB GLN 49 2HB GLN 49 1.250 -10.461 -2.086 388 2HB GLN 49 1HB GLN 49 2.778 -10.512 -2.961 389 1HG GLN 49 2HG GLN 49 0.020 -10.589 -4.216 390 2HG GLN 49 1HG GLN 49 1.104 -9.205 -4.206 391 1HE2 GLN 49 1HE2 GLN 49 0.027 -11.190 -6.414 392 2HE2 GLN 49 2HE2 GLN 49 1.430 -11.558 -7.294 393 H SER 50 H SER 50 4.058 -13.301 -2.976 394 HA SER 50 HA SER 50 4.002 -14.297 -0.185 395 1HB SER 50 2HB SER 50 6.045 -15.441 -0.885 396 2HB SER 50 1HB SER 50 4.840 -15.636 -2.154 397 HG SER 50 HG SER 50 6.951 -14.969 -2.896 398 H ALA 51 H ALA 51 6.912 -13.919 0.135 399 HA ALA 51 HA ALA 51 6.877 -11.202 1.204 400 1HB ALA 51 1HB ALA 51 8.030 -12.916 2.418 401 2HB ALA 51 2HB ALA 51 9.295 -11.887 1.747 402 3HB ALA 51 3HB ALA 51 8.917 -13.432 0.984 403 H LYS 52 H LYS 52 7.525 -12.451 -1.908 404 HA LYS 52 HA LYS 52 9.704 -10.671 -2.668 405 1HB LYS 52 2HB LYS 52 8.754 -12.946 -3.657 406 2HB LYS 52 1HB LYS 52 7.727 -11.859 -4.592 407 1HG LYS 52 2HG LYS 52 9.591 -10.798 -5.612 408 2HG LYS 52 1HG LYS 52 10.720 -11.480 -4.441 409 1HD LYS 52 2HD LYS 52 10.223 -13.752 -5.316 410 2HD LYS 52 1HD LYS 52 9.160 -13.034 -6.527 411 1HE LYS 52 2HE LYS 52 11.075 -11.738 -7.436 412 2HE LYS 52 1HE LYS 52 12.141 -12.511 -6.246 413 1HZ LYS 52 1HZ LYS 52 10.455 -13.946 -8.229 414 2HZ LYS 52 2HZ LYS 52 11.493 -14.669 -7.095 415 3HZ LYS 52 3HZ LYS 52 12.132 -13.726 -8.355 416 H ASP 53 H ASP 53 6.164 -10.669 -3.079 417 HA ASP 53 HA ASP 53 6.313 -7.758 -3.799 418 1HB ASP 53 2HB ASP 53 5.100 -10.102 -5.079 419 2HB ASP 53 1HB ASP 53 3.940 -8.799 -4.831 420 H LYS 54 H LYS 54 6.163 -8.164 -1.196 421 HA LYS 54 HA LYS 54 3.562 -7.165 -0.402 422 1HB LYS 54 2HB LYS 54 3.631 -9.843 -0.811 423 2HB LYS 54 1HB LYS 54 4.107 -9.774 0.881 424 1HG LYS 54 2HG LYS 54 2.079 -8.147 1.134 425 2HG LYS 54 1HG LYS 54 1.568 -8.802 -0.414 426 1HD LYS 54 2HD LYS 54 0.506 -10.068 1.372 427 2HD LYS 54 1HD LYS 54 1.679 -11.093 0.548 428 1HE LYS 54 2HE LYS 54 3.132 -11.122 2.357 429 2HE LYS 54 1HE LYS 54 2.621 -9.519 2.921 430 1HZ LYS 54 1HZ LYS 54 1.080 -12.052 3.074 431 2HZ LYS 54 2HZ LYS 54 0.404 -10.524 3.381 432 3HZ LYS 54 3HZ LYS 54 1.649 -11.119 4.370 433 H GLN 55 H GLN 55 6.644 -8.620 0.611 434 HA GLN 55 HA GLN 55 6.484 -7.703 3.367 435 1HB GLN 55 2HB GLN 55 8.427 -8.999 1.532 436 2HB GLN 55 1HB GLN 55 9.118 -8.142 2.907 437 1HG GLN 55 2HG GLN 55 6.910 -10.207 3.126 438 2HG GLN 55 1HG GLN 55 8.619 -10.551 3.393 439 1HE2 GLN 55 1HE2 GLN 55 5.756 -9.136 4.813 440 2HE2 GLN 55 2HE2 GLN 55 6.466 -8.693 6.290 441 HA PRO 56 HA PRO 56 9.388 -4.217 1.876 442 1HB PRO 56 2HB PRO 56 9.758 -3.841 -0.806 443 2HB PRO 56 1HB PRO 56 10.789 -4.905 0.171 444 1HG PRO 56 2HG PRO 56 8.557 -5.598 -1.666 445 2HG PRO 56 1HG PRO 56 10.087 -6.440 -1.378 446 1HD PRO 56 2HD PRO 56 7.694 -7.218 -0.331 447 2HD PRO 56 1HD PRO 56 9.265 -7.590 0.409 448 H TYR 57 H TYR 57 6.324 -4.972 0.591 449 HA TYR 57 HA TYR 57 5.742 -2.257 -0.422 450 1HB TYR 57 2HB TYR 57 4.439 -4.957 -0.328 451 2HB TYR 57 1HB TYR 57 3.422 -3.541 -0.591 452 HD1 TYR 57 1HD TYR 57 6.849 -4.592 -1.736 453 HD2 TYR 57 2HD TYR 57 2.943 -3.195 -2.830 454 HE1 TYR 57 1HE TYR 57 7.542 -4.520 -4.115 455 HE2 TYR 57 2HE TYR 57 3.631 -3.121 -5.210 456 HH TYR 57 HH TYR 57 6.284 -2.877 -6.345 457 H GLU 58 H GLU 58 5.112 -4.289 2.400 458 HA GLU 58 HA GLU 58 3.198 -2.334 3.537 459 1HB GLU 58 2HB GLU 58 3.023 -4.052 5.318 460 2HB GLU 58 1HB GLU 58 2.816 -4.762 3.719 461 1HG GLU 58 2HG GLU 58 4.556 -6.147 4.070 462 2HG GLU 58 1HG GLU 58 5.618 -4.774 4.371 463 H GLN 59 H GLN 59 6.600 -3.146 3.760 464 HA GLN 59 HA GLN 59 6.970 -1.679 6.306 465 1HB GLN 59 2HB GLN 59 8.871 -3.019 4.360 466 2HB GLN 59 1HB GLN 59 9.326 -2.390 5.942 467 1HG GLN 59 2HG GLN 59 7.119 -4.427 5.625 468 2HG GLN 59 1HG GLN 59 8.806 -4.909 5.803 469 1HE2 GLN 59 1HE2 GLN 59 6.157 -3.163 7.452 470 2HE2 GLN 59 2HE2 GLN 59 6.821 -3.297 9.007 471 H LYS 60 H LYS 60 6.700 -0.875 3.024 472 HA LYS 60 HA LYS 60 8.572 1.439 3.209 473 1HB LYS 60 2HB LYS 60 8.520 -0.238 1.267 474 2HB LYS 60 1HB LYS 60 6.952 0.451 0.847 475 1HG LYS 60 2HG LYS 60 8.487 2.714 1.166 476 2HG LYS 60 1HG LYS 60 9.654 1.578 0.492 477 1HD LYS 60 2HD LYS 60 7.911 1.034 -1.286 478 2HD LYS 60 1HD LYS 60 7.006 2.429 -0.696 479 1HE LYS 60 2HE LYS 60 9.052 3.847 -1.090 480 2HE LYS 60 1HE LYS 60 9.810 2.439 -1.862 481 1HZ LYS 60 1HZ LYS 60 8.066 2.312 -3.441 482 2HZ LYS 60 2HZ LYS 60 8.565 3.936 -3.415 483 3HZ LYS 60 3HZ LYS 60 7.135 3.471 -2.624 484 H ALA 61 H ALA 61 5.188 0.521 3.049 485 HA ALA 61 HA ALA 61 4.298 3.332 2.715 486 1HB ALA 61 1HB ALA 61 2.722 2.184 1.565 487 2HB ALA 61 2HB ALA 61 2.121 1.580 3.107 488 3HB ALA 61 3HB ALA 61 3.309 0.647 2.197 489 H ALA 62 H ALA 62 4.570 0.800 5.141 490 HA ALA 62 HA ALA 62 2.839 2.161 7.088 491 1HB ALA 62 1HB ALA 62 3.446 0.231 8.472 492 2HB ALA 62 2HB ALA 62 4.740 -0.191 7.350 493 3HB ALA 62 3HB ALA 62 3.056 -0.314 6.841 494 H LYS 63 H LYS 63 6.271 2.105 6.291 495 HA LYS 63 HA LYS 63 6.972 3.371 8.893 496 1HB LYS 63 2HB LYS 63 8.232 1.459 7.673 497 2HB LYS 63 1HB LYS 63 8.810 2.724 6.587 498 1HG LYS 63 2HG LYS 63 10.485 2.639 8.238 499 2HG LYS 63 1HG LYS 63 9.470 3.982 8.766 500 1HD LYS 63 2HD LYS 63 8.173 2.036 10.041 501 2HD LYS 63 1HD LYS 63 9.746 1.244 9.932 502 1HE LYS 63 2HE LYS 63 9.504 4.090 10.927 503 2HE LYS 63 1HE LYS 63 9.336 2.704 12.025 504 1HZ LYS 63 1HZ LYS 63 11.444 1.845 11.190 505 2HZ LYS 63 2HZ LYS 63 11.649 3.386 11.876 506 3HZ LYS 63 3HZ LYS 63 11.620 3.201 10.187 507 H LEU 64 H LEU 64 6.030 4.317 5.757 508 HA LEU 64 HA LEU 64 7.501 6.913 5.937 509 1HB LEU 64 2HB LEU 64 7.172 5.120 3.885 510 2HB LEU 64 1HB LEU 64 5.869 6.261 3.557 511 HG LEU 64 HG LEU 64 8.667 7.206 4.163 512 1HD1 LEU 64 1HD1 LEU 64 7.531 6.665 1.406 513 2HD1 LEU 64 2HD1 LEU 64 8.672 5.595 2.222 514 3HD1 LEU 64 3HD1 LEU 64 9.154 7.236 1.794 515 1HD2 LEU 64 1HD2 LEU 64 7.838 9.146 2.781 516 2HD2 LEU 64 2HD2 LEU 64 6.935 8.898 4.275 517 3HD2 LEU 64 3HD2 LEU 64 6.256 8.368 2.736 518 H LYS 65 H LYS 65 4.357 5.414 6.169 519 HA LYS 65 HA LYS 65 2.722 7.740 5.665 520 1HB LYS 65 2HB LYS 65 1.939 5.394 5.594 521 2HB LYS 65 1HB LYS 65 2.262 5.229 7.320 522 1HG LYS 65 2HG LYS 65 0.585 6.898 7.853 523 2HG LYS 65 1HG LYS 65 0.349 7.268 6.144 524 1HD LYS 65 2HD LYS 65 -0.560 5.068 5.723 525 2HD LYS 65 1HD LYS 65 -0.146 4.534 7.352 526 1HE LYS 65 2HE LYS 65 -1.822 5.883 8.349 527 2HE LYS 65 1HE LYS 65 -1.994 6.886 6.895 528 1HZ LYS 65 1HZ LYS 65 -3.765 5.234 7.025 529 2HZ LYS 65 2HZ LYS 65 -2.614 3.984 7.076 530 3HZ LYS 65 3HZ LYS 65 -2.768 4.946 5.683 531 H GLU 66 H GLU 66 4.302 6.388 8.536 532 HA GLU 66 HA GLU 66 3.046 8.015 10.530 533 1HB GLU 66 2HB GLU 66 5.686 6.580 10.245 534 2HB GLU 66 1HB GLU 66 5.312 7.496 11.706 535 1HG GLU 66 2HG GLU 66 3.257 6.172 12.021 536 2HG GLU 66 1HG GLU 66 3.620 5.257 10.558 537 H LYS 67 H LYS 67 5.705 8.640 8.299 538 HA LYS 67 HA LYS 67 6.567 11.112 9.611 539 1HB LYS 67 2HB LYS 67 7.709 9.320 7.947 540 2HB LYS 67 1HB LYS 67 7.190 10.517 6.760 541 1HG LYS 67 2HG LYS 67 8.309 12.286 8.155 542 2HG LYS 67 1HG LYS 67 8.954 10.999 9.176 543 1HD LYS 67 2HD LYS 67 9.753 10.015 6.841 544 2HD LYS 67 1HD LYS 67 9.650 11.707 6.353 545 1HE LYS 67 2HE LYS 67 11.147 10.806 8.834 546 2HE LYS 67 1HE LYS 67 11.924 11.028 7.253 547 1HZ LYS 67 1HZ LYS 67 10.311 13.074 8.685 548 2HZ LYS 67 2HZ LYS 67 11.054 13.277 7.171 549 3HZ LYS 67 3HZ LYS 67 12.002 13.071 8.566 550 H TYR 68 H TYR 68 4.227 10.228 7.164 551 HA TYR 68 HA TYR 68 3.925 12.816 5.885 552 1HB TYR 68 2HB TYR 68 3.226 10.582 5.008 553 2HB TYR 68 1HB TYR 68 1.988 10.501 6.252 554 HD1 TYR 68 1HD TYR 68 -0.152 11.202 5.707 555 HD2 TYR 68 2HD TYR 68 3.182 12.818 3.532 556 HE1 TYR 68 1HE TYR 68 -1.716 12.409 4.209 557 HE2 TYR 68 2HE TYR 68 1.612 14.028 2.037 558 HH TYR 68 HH TYR 68 -1.373 14.720 2.673 559 H GLU 69 H GLU 69 2.414 11.207 8.628 560 HA GLU 69 HA GLU 69 0.297 13.030 9.178 561 1HB GLU 69 2HB GLU 69 2.004 11.249 10.945 562 2HB GLU 69 1HB GLU 69 0.529 12.044 11.500 563 1HG GLU 69 2HG GLU 69 -0.623 10.939 9.481 564 2HG GLU 69 1HG GLU 69 0.816 9.927 9.365 565 H LYS 70 H LYS 70 3.734 13.116 10.074 566 HA LYS 70 HA LYS 70 3.371 15.558 11.708 567 1HB LYS 70 2HB LYS 70 5.709 13.790 10.919 568 2HB LYS 70 1HB LYS 70 5.895 15.232 11.917 569 1HG LYS 70 2HG LYS 70 4.070 14.216 13.424 570 2HG LYS 70 1HG LYS 70 4.362 12.710 12.552 571 1HD LYS 70 2HD LYS 70 6.798 12.921 13.135 572 2HD LYS 70 1HD LYS 70 6.385 14.306 14.147 573 1HE LYS 70 2HE LYS 70 4.671 12.707 15.278 574 2HE LYS 70 1HE LYS 70 5.623 11.409 14.528 575 1HZ LYS 70 1HZ LYS 70 6.511 11.986 16.709 576 2HZ LYS 70 2HZ LYS 70 6.711 13.601 16.219 577 3HZ LYS 70 3HZ LYS 70 7.624 12.367 15.488 578 H ASP 71 H ASP 71 4.662 14.508 8.610 579 HA ASP 71 HA ASP 71 5.925 16.948 7.767 580 1HB ASP 71 2HB ASP 71 4.912 14.417 6.614 581 2HB ASP 71 1HB ASP 71 4.968 15.754 5.479 582 H ILE 72 H ILE 72 2.730 15.617 6.934 583 HA ILE 72 HA ILE 72 1.654 17.852 5.581 584 HB ILE 72 HB ILE 72 0.524 15.574 7.221 585 1HG1 ILE 72 2HG1 ILE 72 1.617 15.062 5.083 586 2HG1 ILE 72 1HG1 ILE 72 -0.110 14.731 5.018 587 1HG2 ILE 72 1HG2 ILE 72 -0.992 17.793 5.843 588 2HG2 ILE 72 2HG2 ILE 72 -1.275 17.087 7.435 589 3HG2 ILE 72 3HG2 ILE 72 -1.685 16.177 5.981 590 1HD1 ILE 72 1HD1 ILE 72 -0.351 17.102 4.026 591 2HD1 ILE 72 2HD1 ILE 72 0.349 15.865 2.984 592 3HD1 ILE 72 3HD1 ILE 72 1.394 17.040 3.782 593 H ALA 73 H ALA 73 1.560 17.093 9.080 594 HA ALA 73 HA ALA 73 -0.132 19.165 9.977 595 1HB ALA 73 1HB ALA 73 2.378 18.125 11.327 596 2HB ALA 73 2HB ALA 73 0.858 17.234 11.262 597 3HB ALA 73 3HB ALA 73 0.941 18.773 12.119 598 H ALA 74 H ALA 74 3.455 19.281 9.845 599 HA ALA 74 HA ALA 74 3.636 22.078 10.501 600 1HB ALA 74 1HB ALA 74 5.509 20.119 9.137 601 2HB ALA 74 2HB ALA 74 5.468 20.526 10.852 602 3HB ALA 74 3HB ALA 74 5.997 21.726 9.674 603 H TYR 75 H TYR 75 3.370 20.331 7.437 604 HA TYR 75 HA TYR 75 3.891 22.739 5.829 605 1HB TYR 75 2HB TYR 75 4.065 19.972 5.508 606 2HB TYR 75 1HB TYR 75 2.690 20.419 4.499 607 HD1 TYR 75 1HD TYR 75 2.993 21.608 2.450 608 HD2 TYR 75 2HD TYR 75 6.275 21.142 5.181 609 HE1 TYR 75 1HE TYR 75 4.549 22.493 0.732 610 HE2 TYR 75 2HE TYR 75 7.831 22.026 3.465 611 HH TYR 75 HH TYR 75 7.933 22.248 1.020 612 H ARG 76 H ARG 76 1.173 21.467 7.467 613 HA ARG 76 HA ARG 76 -0.920 22.117 5.581 614 1HB ARG 76 2HB ARG 76 -1.140 20.598 7.534 615 2HB ARG 76 1HB ARG 76 -0.930 21.973 8.617 616 1HG ARG 76 2HG ARG 76 -2.996 22.909 8.039 617 2HG ARG 76 1HG ARG 76 -3.072 22.038 6.508 618 1HD ARG 76 2HD ARG 76 -3.051 19.918 8.160 619 2HD ARG 76 1HD ARG 76 -3.799 21.104 9.248 620 HE ARG 76 HE ARG 76 -4.855 20.429 6.529 621 1HH1 ARG 76 1HH2 ARG 76 -5.679 23.101 7.590 622 2HH1 ARG 76 2HH2 ARG 76 -7.154 22.728 8.416 623 1HH2 ARG 76 1HH1 ARG 76 -6.545 19.316 8.517 624 2HH2 ARG 76 2HH1 ARG 76 -7.645 20.584 8.940 625 H ALA 77 H ALA 77 -0.199 23.809 8.661 626 HA ALA 77 HA ALA 77 -0.662 26.414 7.248 627 1HB ALA 77 1HB ALA 77 -1.881 27.064 9.377 628 2HB ALA 77 2HB ALA 77 -1.763 25.377 9.876 629 3HB ALA 77 3HB ALA 77 -2.681 25.807 8.434 630 H LYS 78 H LYS 78 1.385 27.310 7.333 631 HA LYS 78 HA LYS 78 2.618 27.669 10.023 632 1HB LYS 78 2HB LYS 78 3.448 25.624 8.604 633 2HB LYS 78 1HB LYS 78 4.281 26.852 7.649 634 1HG LYS 78 2HG LYS 78 5.247 27.728 9.832 635 2HG LYS 78 1HG LYS 78 4.611 26.276 10.602 636 1HD LYS 78 2HD LYS 78 5.862 25.009 8.691 637 2HD LYS 78 1HD LYS 78 6.769 26.512 8.517 638 1HE LYS 78 2HE LYS 78 6.439 25.129 11.196 639 2HE LYS 78 1HE LYS 78 7.809 24.810 10.113 640 1HZ LYS 78 1HZ LYS 78 8.272 27.179 10.047 641 2HZ LYS 78 2HZ LYS 78 8.309 26.621 11.652 642 3HZ LYS 78 3HZ LYS 78 6.966 27.491 11.084 Start of MODEL 25 1 1H MET 1 1HT MET 1 -13.329 12.845 0.901 2 2H MET 1 2HT MET 1 -11.758 12.211 1.013 3 3H MET 1 3HT MET 1 -12.231 13.078 -0.370 4 HA MET 1 HA MET 1 -12.454 15.106 0.956 5 1HB MET 1 2HB MET 1 -13.044 13.613 2.966 6 2HB MET 1 1HB MET 1 -11.304 13.413 3.184 7 1HG MET 1 2HG MET 1 -11.848 15.250 4.572 8 2HG MET 1 1HG MET 1 -11.192 15.993 3.113 9 1HE MET 1 1HE MET 1 -12.628 18.510 3.178 10 2HE MET 1 2HE MET 1 -12.265 17.716 4.709 11 3HE MET 1 3HE MET 1 -13.873 18.380 4.429 12 H LYS 2 H LYS 2 -10.792 16.047 -0.186 13 HA LYS 2 HA LYS 2 -8.065 14.874 -0.096 14 1HB LYS 2 2HB LYS 2 -9.526 16.959 -1.717 15 2HB LYS 2 1HB LYS 2 -7.771 16.809 -1.814 16 1HG LYS 2 2HG LYS 2 -7.873 14.654 -2.726 17 2HG LYS 2 1HG LYS 2 -9.505 14.370 -2.119 18 1HD LYS 2 2HD LYS 2 -10.365 16.087 -3.699 19 2HD LYS 2 1HD LYS 2 -8.735 16.283 -4.342 20 1HE LYS 2 2HE LYS 2 -8.731 14.163 -5.343 21 2HE LYS 2 1HE LYS 2 -9.985 13.541 -4.252 22 1HZ LYS 2 1HZ LYS 2 -10.371 15.677 -6.282 23 2HZ LYS 2 2HZ LYS 2 -11.565 15.079 -5.231 24 3HZ LYS 2 3HZ LYS 2 -10.907 14.076 -6.434 25 H LYS 3 H LYS 3 -6.265 16.648 0.018 26 HA LYS 3 HA LYS 3 -6.945 18.651 2.147 27 1HB LYS 3 2HB LYS 3 -5.612 16.380 2.610 28 2HB LYS 3 1HB LYS 3 -4.259 17.338 2.007 29 1HG LYS 3 2HG LYS 3 -4.252 17.742 4.338 30 2HG LYS 3 1HG LYS 3 -5.060 19.157 3.661 31 1HD LYS 3 2HD LYS 3 -7.251 18.172 4.151 32 2HD LYS 3 1HD LYS 3 -6.475 16.714 4.772 33 1HE LYS 3 2HE LYS 3 -5.286 18.190 6.470 34 2HE LYS 3 1HE LYS 3 -6.355 19.507 5.950 35 1HZ LYS 3 1HZ LYS 3 -7.339 18.279 7.790 36 2HZ LYS 3 2HZ LYS 3 -7.238 16.833 6.905 37 3HZ LYS 3 3HZ LYS 3 -8.262 18.084 6.381 38 H ASP 4 H ASP 4 -6.919 19.311 -0.590 39 HA ASP 4 HA ASP 4 -5.982 20.853 -2.107 40 1HB ASP 4 2HB ASP 4 -5.059 21.627 0.626 41 2HB ASP 4 1HB ASP 4 -4.280 22.424 -0.740 42 HA PRO 5 HA PRO 5 -2.090 19.298 -3.451 43 1HB PRO 5 2HB PRO 5 -0.943 21.421 -4.731 44 2HB PRO 5 1HB PRO 5 -2.335 20.538 -5.388 45 1HG PRO 5 2HG PRO 5 -2.238 23.166 -4.019 46 2HG PRO 5 1HG PRO 5 -3.285 22.612 -5.332 47 1HD PRO 5 2HD PRO 5 -4.042 22.803 -2.685 48 2HD PRO 5 1HD PRO 5 -4.839 21.780 -3.899 49 H ASN 6 H ASN 6 -1.840 22.473 -1.856 50 HA ASN 6 HA ASN 6 0.944 22.443 -1.244 51 1HB ASN 6 2HB ASN 6 -1.541 23.716 -0.146 52 2HB ASN 6 1HB ASN 6 -0.038 23.884 0.762 53 1HD2 ASN 6 1HD2 ASN 6 -0.933 24.016 -2.744 54 2HD2 ASN 6 2HD2 ASN 6 -0.077 25.448 -3.052 55 H ALA 7 H ALA 7 -1.845 21.151 0.567 56 HA ALA 7 HA ALA 7 -0.091 20.093 2.704 57 1HB ALA 7 1HB ALA 7 -2.019 20.254 3.879 58 2HB ALA 7 2HB ALA 7 -2.878 19.242 2.720 59 3HB ALA 7 3HB ALA 7 -2.749 20.980 2.449 60 HA PRO 8 HA PRO 8 0.091 16.100 0.909 61 1HB PRO 8 2HB PRO 8 0.593 14.573 3.098 62 2HB PRO 8 1HB PRO 8 1.791 15.600 2.292 63 1HG PRO 8 2HG PRO 8 0.474 15.972 4.855 64 2HG PRO 8 1HG PRO 8 1.916 16.708 4.166 65 1HD PRO 8 2HD PRO 8 -0.681 17.870 4.384 66 2HD PRO 8 1HD PRO 8 0.803 18.592 3.731 67 H LYS 9 H LYS 9 -0.925 13.836 1.061 68 HA LYS 9 HA LYS 9 -3.729 14.061 2.099 69 1HB LYS 9 2HB LYS 9 -2.400 12.642 -0.215 70 2HB LYS 9 1HB LYS 9 -4.020 12.197 0.325 71 1HG LYS 9 2HG LYS 9 -4.540 13.801 -1.266 72 2HG LYS 9 1HG LYS 9 -4.437 14.807 0.178 73 1HD LYS 9 2HD LYS 9 -2.628 15.919 -0.600 74 2HD LYS 9 1HD LYS 9 -1.826 14.429 -1.093 75 1HE LYS 9 2HE LYS 9 -2.256 15.784 -3.084 76 2HE LYS 9 1HE LYS 9 -3.340 14.379 -3.122 77 1HZ LYS 9 1HZ LYS 9 -4.549 16.458 -3.510 78 2HZ LYS 9 2HZ LYS 9 -4.030 17.046 -2.004 79 3HZ LYS 9 3HZ LYS 9 -5.061 15.699 -2.084 80 H ARG 10 H ARG 10 -4.574 11.588 2.312 81 HA ARG 10 HA ARG 10 -3.435 10.476 4.657 82 1HB ARG 10 2HB ARG 10 -5.158 9.354 2.433 83 2HB ARG 10 1HB ARG 10 -4.805 8.446 3.904 84 1HG ARG 10 2HG ARG 10 -5.702 10.379 5.236 85 2HG ARG 10 1HG ARG 10 -6.197 11.132 3.719 86 1HD ARG 10 2HD ARG 10 -7.371 8.793 3.296 87 2HD ARG 10 1HD ARG 10 -7.311 8.694 5.067 88 HE ARG 10 HE ARG 10 -8.336 11.090 4.953 89 1HH1 ARG 10 1HH1 ARG 10 -10.430 9.036 4.828 90 2HH1 ARG 10 2HH1 ARG 10 -11.269 9.413 3.360 91 1HH2 ARG 10 1HH2 ARG 10 -8.720 11.398 2.101 92 2HH2 ARG 10 2HH2 ARG 10 -10.301 10.751 1.816 93 HA PRO 11 HA PRO 11 0.090 8.308 3.104 94 1HB PRO 11 2HB PRO 11 0.353 6.359 5.004 95 2HB PRO 11 1HB PRO 11 0.782 8.057 5.291 96 1HG PRO 11 2HG PRO 11 -1.659 6.560 6.099 97 2HG PRO 11 1HG PRO 11 -0.740 7.785 6.988 98 1HD PRO 11 2HD PRO 11 -3.083 8.305 5.694 99 2HD PRO 11 1HD PRO 11 -1.819 9.524 5.968 100 HA PRO 12 HA PRO 12 -1.537 4.887 0.835 101 1HB PRO 12 2HB PRO 12 0.745 3.505 0.226 102 2HB PRO 12 1HB PRO 12 0.301 5.033 -0.558 103 1HG PRO 12 2HG PRO 12 2.252 4.516 1.612 104 2HG PRO 12 1HG PRO 12 2.345 5.655 0.262 105 1HD PRO 12 2HD PRO 12 1.717 6.368 2.823 106 2HD PRO 12 1HD PRO 12 1.196 7.274 1.386 107 H SER 13 H SER 13 -1.122 2.340 0.722 108 HA SER 13 HA SER 13 -0.648 1.220 3.448 109 1HB SER 13 2HB SER 13 -3.101 1.031 1.688 110 2HB SER 13 1HB SER 13 -2.775 -0.164 2.940 111 HG SER 13 HG SER 13 -3.131 1.304 4.452 112 H ALA 14 H ALA 14 -0.525 -1.254 3.264 113 HA ALA 14 HA ALA 14 1.435 -2.112 1.429 114 1HB ALA 14 1HB ALA 14 -0.647 -4.006 2.460 115 2HB ALA 14 2HB ALA 14 0.329 -3.112 3.624 116 3HB ALA 14 3HB ALA 14 1.107 -4.174 2.453 117 H PHE 15 H PHE 15 -2.120 -2.394 1.156 118 HA PHE 15 HA PHE 15 -2.054 -3.861 -1.349 119 1HB PHE 15 2HB PHE 15 -3.907 -3.964 0.261 120 2HB PHE 15 1HB PHE 15 -4.206 -2.240 0.052 121 HD1 PHE 15 1HD PHE 15 -6.174 -1.883 -1.142 122 HD2 PHE 15 2HD PHE 15 -3.547 -5.061 -2.345 123 HE1 PHE 15 1HE PHE 15 -7.645 -2.364 -3.080 124 HE2 PHE 15 2HE PHE 15 -5.019 -5.543 -4.282 125 HZ PHE 15 HZ PHE 15 -7.068 -4.194 -4.651 126 H PHE 16 H PHE 16 -1.808 -0.466 -0.542 127 HA PHE 16 HA PHE 16 -2.800 0.565 -3.069 128 1HB PHE 16 2HB PHE 16 -2.537 1.701 -0.758 129 2HB PHE 16 1HB PHE 16 -0.843 1.913 -1.202 130 HD1 PHE 16 1HD PHE 16 -0.174 3.458 -2.941 131 HD2 PHE 16 2HD PHE 16 -4.328 2.805 -2.060 132 HE1 PHE 16 1HE PHE 16 -0.775 5.443 -4.300 133 HE2 PHE 16 2HE PHE 16 -4.927 4.790 -3.420 134 HZ PHE 16 HZ PHE 16 -3.151 6.109 -4.540 135 H LEU 17 H LEU 17 0.354 -0.537 -1.929 136 HA LEU 17 HA LEU 17 1.885 0.600 -4.129 137 1HB LEU 17 2HB LEU 17 2.305 -1.681 -2.174 138 2HB LEU 17 1HB LEU 17 3.505 -1.272 -3.391 139 HG LEU 17 HG LEU 17 4.167 -0.164 -1.369 140 1HD1 LEU 17 1HD1 LEU 17 4.316 2.085 -2.049 141 2HD1 LEU 17 2HD1 LEU 17 2.739 2.047 -2.835 142 3HD1 LEU 17 3HD1 LEU 17 4.106 1.207 -3.565 143 1HD2 LEU 17 1HD2 LEU 17 2.717 1.146 0.003 144 2HD2 LEU 17 2HD2 LEU 17 1.853 -0.350 -0.347 145 3HD2 LEU 17 3HD2 LEU 17 1.440 1.131 -1.213 146 H PHE 18 H PHE 18 1.292 -2.816 -3.458 147 HA PHE 18 HA PHE 18 1.625 -4.119 -5.822 148 1HB PHE 18 2HB PHE 18 0.836 -5.195 -3.801 149 2HB PHE 18 1HB PHE 18 -0.690 -4.318 -3.869 150 HD1 PHE 18 1HD PHE 18 -2.497 -5.061 -5.263 151 HD2 PHE 18 2HD PHE 18 1.342 -6.976 -5.483 152 HE1 PHE 18 1HE PHE 18 -3.494 -6.903 -6.589 153 HE2 PHE 18 2HE PHE 18 0.344 -8.819 -6.814 154 HZ PHE 18 HZ PHE 18 -2.076 -8.785 -7.363 155 H CYS 19 H CYS 19 -1.551 -2.536 -5.076 156 HA CYS 19 HA CYS 19 -2.623 -2.903 -7.705 157 1HB CYS 19 2HB CYS 19 -3.918 -2.464 -5.630 158 2HB CYS 19 1HB CYS 19 -3.238 -0.843 -5.565 159 HG CYS 19 HG CYS 19 -5.137 -0.189 -7.010 160 H SER 20 H SER 20 -0.932 -0.148 -6.192 161 HA SER 20 HA SER 20 -1.213 1.744 -8.285 162 1HB SER 20 2HB SER 20 -0.365 2.347 -6.113 163 2HB SER 20 1HB SER 20 0.974 1.212 -6.258 164 HG SER 20 HG SER 20 0.844 3.752 -7.047 165 H GLU 21 H GLU 21 0.861 -1.090 -8.088 166 HA GLU 21 HA GLU 21 2.402 -0.184 -10.472 167 1HB GLU 21 2HB GLU 21 3.869 -2.089 -9.856 168 2HB GLU 21 1HB GLU 21 3.623 -0.992 -8.500 169 1HG GLU 21 2HG GLU 21 2.136 -2.474 -7.418 170 2HG GLU 21 1HG GLU 21 1.859 -3.409 -8.887 171 H HIS 22 H HIS 22 -0.144 -2.417 -9.569 172 HA HIS 22 HA HIS 22 0.219 -4.092 -11.977 173 1HB HIS 22 2HB HIS 22 -1.418 -4.040 -9.483 174 2HB HIS 22 1HB HIS 22 -2.099 -4.893 -10.868 175 HD1 HIS 22 1HD HIS 22 -0.524 -6.808 -11.934 176 HD2 HIS 22 2HD HIS 22 0.597 -5.434 -8.161 177 HE1 HIS 22 1HE HIS 22 1.089 -8.521 -10.998 178 H ARG 23 H ARG 23 -2.018 -1.631 -10.721 179 HA ARG 23 HA ARG 23 -4.150 -1.644 -12.442 180 1HB ARG 23 2HB ARG 23 -3.256 0.004 -10.567 181 2HB ARG 23 1HB ARG 23 -2.787 0.971 -11.961 182 1HG ARG 23 2HG ARG 23 -5.230 0.460 -12.784 183 2HG ARG 23 1HG ARG 23 -5.529 0.147 -11.075 184 1HD ARG 23 2HD ARG 23 -4.166 2.686 -12.007 185 2HD ARG 23 1HD ARG 23 -5.929 2.563 -11.845 186 HE ARG 23 HE ARG 23 -3.978 2.358 -9.615 187 1HH1 ARG 23 1HH2 ARG 23 -6.150 0.378 -9.186 188 2HH1 ARG 23 2HH2 ARG 23 -7.348 1.306 -8.348 189 1HH2 ARG 23 1HH1 ARG 23 -5.976 4.366 -9.233 190 2HH2 ARG 23 2HH1 ARG 23 -7.249 3.565 -8.374 191 HA PRO 24 HA PRO 24 -1.886 0.729 -15.939 192 1HB PRO 24 2HB PRO 24 0.853 0.708 -15.961 193 2HB PRO 24 1HB PRO 24 -0.100 1.999 -15.200 194 1HG PRO 24 2HG PRO 24 1.255 -0.341 -13.949 195 2HG PRO 24 1HG PRO 24 1.147 1.336 -13.387 196 1HD PRO 24 2HD PRO 24 -0.383 -0.644 -12.376 197 2HD PRO 24 1HD PRO 24 -0.933 1.039 -12.475 198 H LYS 25 H LYS 25 -0.587 -2.209 -14.540 199 HA LYS 25 HA LYS 25 0.376 -3.371 -17.036 200 1HB LYS 25 2HB LYS 25 1.089 -3.904 -14.645 201 2HB LYS 25 1HB LYS 25 -0.449 -4.746 -14.462 202 1HG LYS 25 2HG LYS 25 1.006 -6.470 -15.119 203 2HG LYS 25 1HG LYS 25 0.248 -5.998 -16.641 204 1HD LYS 25 2HD LYS 25 2.148 -4.726 -17.313 205 2HD LYS 25 1HD LYS 25 2.847 -4.781 -15.694 206 1HE LYS 25 2HE LYS 25 2.910 -7.347 -15.992 207 2HE LYS 25 1HE LYS 25 2.646 -7.019 -17.717 208 1HZ LYS 25 1HZ LYS 25 4.520 -5.485 -17.672 209 2HZ LYS 25 2HZ LYS 25 5.010 -7.043 -17.203 210 3HZ LYS 25 3HZ LYS 25 4.789 -5.831 -16.033 211 H ILE 26 H ILE 26 -2.621 -3.496 -15.139 212 HA ILE 26 HA ILE 26 -3.910 -5.553 -16.727 213 HB ILE 26 HB ILE 26 -4.997 -3.377 -14.906 214 1HG1 ILE 26 2HG1 ILE 26 -3.366 -4.844 -13.788 215 2HG1 ILE 26 1HG1 ILE 26 -4.989 -5.160 -13.188 216 1HG2 ILE 26 1HG2 ILE 26 -6.249 -5.773 -16.217 217 2HG2 ILE 26 2HG2 ILE 26 -6.903 -4.150 -16.007 218 3HG2 ILE 26 3HG2 ILE 26 -6.823 -5.251 -14.633 219 1HD1 ILE 26 1HD1 ILE 26 -5.140 -7.059 -14.856 220 2HD1 ILE 26 2HD1 ILE 26 -3.947 -7.299 -13.579 221 3HD1 ILE 26 3HD1 ILE 26 -3.427 -6.811 -15.191 222 H LYS 27 H LYS 27 -3.205 -2.257 -17.385 223 HA LYS 27 HA LYS 27 -5.575 -1.663 -18.993 224 1HB LYS 27 2HB LYS 27 -2.934 -0.414 -18.323 225 2HB LYS 27 1HB LYS 27 -3.840 0.206 -19.706 226 1HG LYS 27 2HG LYS 27 -5.850 0.408 -18.197 227 2HG LYS 27 1HG LYS 27 -4.797 0.003 -16.841 228 1HD LYS 27 2HD LYS 27 -3.560 1.985 -17.039 229 2HD LYS 27 1HD LYS 27 -4.057 2.240 -18.713 230 1HE LYS 27 2HE LYS 27 -6.250 2.932 -18.069 231 2HE LYS 27 1HE LYS 27 -6.032 2.326 -16.414 232 1HZ LYS 27 1HZ LYS 27 -5.657 4.732 -16.555 233 2HZ LYS 27 2HZ LYS 27 -4.408 4.472 -17.678 234 3HZ LYS 27 3HZ LYS 27 -4.252 3.906 -16.084 235 H SER 28 H SER 28 -2.525 -3.272 -19.540 236 HA SER 28 HA SER 28 -2.461 -2.870 -22.433 237 1HB SER 28 2HB SER 28 -0.521 -3.332 -20.851 238 2HB SER 28 1HB SER 28 -1.104 -4.990 -20.742 239 HG SER 28 HG SER 28 0.369 -4.946 -22.386 240 H GLU 29 H GLU 29 -3.475 -5.508 -20.250 241 HA GLU 29 HA GLU 29 -4.415 -7.130 -22.551 242 1HB GLU 29 2HB GLU 29 -4.097 -7.517 -19.573 243 2HB GLU 29 1HB GLU 29 -4.921 -8.712 -20.574 244 1HG GLU 29 2HG GLU 29 -2.157 -7.681 -21.238 245 2HG GLU 29 1HG GLU 29 -2.417 -9.091 -20.209 246 H HIS 30 H HIS 30 -5.743 -4.582 -20.949 247 HA HIS 30 HA HIS 30 -8.500 -5.508 -21.501 248 1HB HIS 30 2HB HIS 30 -7.623 -4.487 -18.778 249 2HB HIS 30 1HB HIS 30 -9.265 -4.910 -19.236 250 HD1 HIS 30 1HD HIS 30 -9.875 -7.407 -19.359 251 HD2 HIS 30 2HD HIS 30 -5.871 -6.727 -18.436 252 HE1 HIS 30 1HE HIS 30 -8.929 -9.633 -18.603 253 HA PRO 31 HA PRO 31 -7.572 -1.085 -22.557 254 1HB PRO 31 2HB PRO 31 -8.959 -1.121 -24.927 255 2HB PRO 31 1HB PRO 31 -7.253 -1.597 -24.794 256 1HG PRO 31 2HG PRO 31 -9.694 -3.320 -24.865 257 2HG PRO 31 1HG PRO 31 -8.145 -3.529 -25.702 258 1HD PRO 31 2HD PRO 31 -8.738 -4.908 -23.468 259 2HD PRO 31 1HD PRO 31 -7.085 -4.353 -23.817 260 H GLY 32 H GLY 32 -8.928 -0.064 -21.087 261 1HA GLY 32 2HA GLY 32 -11.054 1.266 -21.073 262 2HA GLY 32 1HA GLY 32 -11.868 -0.194 -21.637 263 H LEU 33 H LEU 33 -10.033 -1.781 -19.745 264 HA LEU 33 HA LEU 33 -11.733 -2.368 -17.649 265 1HB LEU 33 2HB LEU 33 -9.230 -3.068 -18.463 266 2HB LEU 33 1HB LEU 33 -8.856 -2.244 -16.956 267 HG LEU 33 HG LEU 33 -9.210 -4.668 -16.605 268 1HD1 LEU 33 1HD1 LEU 33 -11.598 -3.313 -15.398 269 2HD1 LEU 33 2HD1 LEU 33 -9.978 -2.757 -14.980 270 3HD1 LEU 33 3HD1 LEU 33 -10.449 -4.426 -14.657 271 1HD2 LEU 33 1HD2 LEU 33 -11.097 -4.553 -18.521 272 2HD2 LEU 33 2HD2 LEU 33 -12.138 -4.395 -17.106 273 3HD2 LEU 33 3HD2 LEU 33 -11.094 -5.807 -17.280 274 H SER 34 H SER 34 -12.619 -1.164 -16.098 275 HA SER 34 HA SER 34 -11.478 1.418 -15.272 276 1HB SER 34 2HB SER 34 -13.631 1.208 -13.785 277 2HB SER 34 1HB SER 34 -13.817 1.398 -15.522 278 HG SER 34 HG SER 34 -15.069 -0.332 -14.607 279 H ILE 35 H ILE 35 -12.125 1.507 -12.572 280 HA ILE 35 HA ILE 35 -9.985 -0.152 -11.387 281 HB ILE 35 HB ILE 35 -11.783 2.011 -10.240 282 1HG1 ILE 35 2HG1 ILE 35 -10.435 2.842 -12.132 283 2HG1 ILE 35 1HG1 ILE 35 -9.844 3.508 -10.612 284 1HG2 ILE 35 1HG2 ILE 35 -9.676 2.182 -8.688 285 2HG2 ILE 35 2HG2 ILE 35 -9.382 0.524 -9.212 286 3HG2 ILE 35 3HG2 ILE 35 -10.881 0.931 -8.376 287 1HD1 ILE 35 1HD1 ILE 35 -8.637 1.252 -12.232 288 2HD1 ILE 35 2HD1 ILE 35 -8.148 1.608 -10.574 289 3HD1 ILE 35 3HD1 ILE 35 -7.907 2.810 -11.842 290 H GLY 36 H GLY 36 -12.948 -1.070 -12.138 291 1HA GLY 36 2HA GLY 36 -13.816 -2.020 -9.468 292 2HA GLY 36 1HA GLY 36 -14.752 -2.140 -10.958 293 H ASP 37 H ASP 37 -13.435 -3.506 -12.713 294 HA ASP 37 HA ASP 37 -13.291 -6.204 -11.740 295 1HB ASP 37 2HB ASP 37 -12.534 -4.735 -14.261 296 2HB ASP 37 1HB ASP 37 -12.152 -6.450 -14.091 297 H THR 38 H THR 38 -10.720 -3.940 -12.782 298 HA THR 38 HA THR 38 -8.482 -5.606 -12.261 299 HB THR 38 HB THR 38 -8.961 -2.610 -12.267 300 HG1 THR 38 1HG THR 38 -7.978 -2.807 -14.271 301 1HG2 THR 38 1HG2 THR 38 -6.265 -4.001 -12.206 302 2HG2 THR 38 2HG2 THR 38 -6.966 -3.129 -10.842 303 3HG2 THR 38 3HG2 THR 38 -6.547 -2.264 -12.321 304 H ALA 39 H ALA 39 -10.259 -3.398 -10.095 305 HA ALA 39 HA ALA 39 -8.521 -3.692 -7.811 306 1HB ALA 39 1HB ALA 39 -10.549 -2.792 -6.622 307 2HB ALA 39 2HB ALA 39 -11.462 -2.997 -8.116 308 3HB ALA 39 3HB ALA 39 -10.116 -1.860 -8.054 309 H LYS 40 H LYS 40 -11.269 -5.539 -9.043 310 HA LYS 40 HA LYS 40 -11.569 -7.208 -6.667 311 1HB LYS 40 2HB LYS 40 -12.588 -7.149 -9.501 312 2HB LYS 40 1HB LYS 40 -12.906 -8.553 -8.484 313 1HG LYS 40 2HG LYS 40 -14.103 -7.259 -6.887 314 2HG LYS 40 1HG LYS 40 -13.507 -5.740 -7.559 315 1HD LYS 40 2HD LYS 40 -14.705 -6.423 -9.729 316 2HD LYS 40 1HD LYS 40 -15.525 -7.644 -8.755 317 1HE LYS 40 2HE LYS 40 -16.416 -5.908 -7.265 318 2HE LYS 40 1HE LYS 40 -15.540 -4.659 -8.173 319 1HZ LYS 40 1HZ LYS 40 -16.709 -5.312 -10.170 320 2HZ LYS 40 2HZ LYS 40 -17.832 -4.907 -8.962 321 3HZ LYS 40 3HZ LYS 40 -17.531 -6.536 -9.334 322 H LYS 41 H LYS 41 -9.708 -7.351 -9.655 323 HA LYS 41 HA LYS 41 -8.929 -10.170 -9.242 324 1HB LYS 41 2HB LYS 41 -9.398 -8.843 -11.445 325 2HB LYS 41 1HB LYS 41 -7.757 -8.232 -11.229 326 1HG LYS 41 2HG LYS 41 -7.043 -10.681 -10.971 327 2HG LYS 41 1HG LYS 41 -8.641 -11.099 -11.591 328 1HD LYS 41 2HD LYS 41 -6.865 -9.151 -13.058 329 2HD LYS 41 1HD LYS 41 -6.705 -10.891 -13.301 330 1HE LYS 41 2HE LYS 41 -8.890 -11.091 -14.193 331 2HE LYS 41 1HE LYS 41 -9.393 -9.523 -13.532 332 1HZ LYS 41 1HZ LYS 41 -7.292 -9.938 -15.594 333 2HZ LYS 41 2HZ LYS 41 -7.756 -8.439 -14.944 334 3HZ LYS 41 3HZ LYS 41 -8.849 -9.334 -15.887 335 H LEU 42 H LEU 42 -7.713 -6.983 -8.499 336 HA LEU 42 HA LEU 42 -4.920 -7.822 -8.144 337 1HB LEU 42 2HB LEU 42 -6.587 -5.386 -8.032 338 2HB LEU 42 1HB LEU 42 -5.243 -5.396 -6.895 339 HG LEU 42 HG LEU 42 -3.717 -6.002 -8.789 340 1HD1 LEU 42 1HD1 LEU 42 -5.768 -6.865 -10.159 341 2HD1 LEU 42 2HD1 LEU 42 -4.461 -6.045 -11.013 342 3HD1 LEU 42 3HD1 LEU 42 -5.946 -5.175 -10.631 343 1HD2 LEU 42 1HD2 LEU 42 -4.466 -3.600 -7.972 344 2HD2 LEU 42 2HD2 LEU 42 -5.166 -3.509 -9.587 345 3HD2 LEU 42 3HD2 LEU 42 -3.435 -3.783 -9.389 346 H GLY 43 H GLY 43 -7.407 -6.522 -5.906 347 1HA GLY 43 2HA GLY 43 -6.109 -7.089 -3.479 348 2HA GLY 43 1HA GLY 43 -7.866 -7.056 -3.655 349 H GLU 44 H GLU 44 -7.758 -9.269 -5.667 350 HA GLU 44 HA GLU 44 -7.951 -11.515 -3.821 351 1HB GLU 44 2HB GLU 44 -9.260 -11.049 -5.986 352 2HB GLU 44 1HB GLU 44 -7.811 -11.563 -6.850 353 1HG GLU 44 2HG GLU 44 -9.025 -13.293 -4.700 354 2HG GLU 44 1HG GLU 44 -9.623 -13.352 -6.358 355 H MET 45 H MET 45 -5.664 -10.474 -6.361 356 HA MET 45 HA MET 45 -3.862 -12.733 -6.004 357 1HB MET 45 2HB MET 45 -4.091 -10.223 -7.566 358 2HB MET 45 1HB MET 45 -2.439 -10.752 -7.257 359 1HG MET 45 2HG MET 45 -3.160 -13.059 -8.071 360 2HG MET 45 1HG MET 45 -4.648 -12.295 -8.631 361 1HE MET 45 1HE MET 45 -4.688 -12.613 -10.871 362 2HE MET 45 2HE MET 45 -3.833 -11.618 -12.049 363 3HE MET 45 3HE MET 45 -4.845 -10.851 -10.827 364 H TRP 46 H TRP 46 -3.954 -9.340 -4.901 365 HA TRP 46 HA TRP 46 -1.447 -9.076 -3.640 366 1HB TRP 46 2HB TRP 46 -3.029 -7.256 -3.863 367 2HB TRP 46 1HB TRP 46 -4.226 -8.092 -2.881 368 HD1 TRP 46 HD TRP 46 -4.333 -7.089 -0.539 369 HE1 TRP 46 1HE TRP 46 -2.631 -6.096 1.126 370 HE3 TRP 46 3HE TRP 46 -0.081 -7.483 -3.309 371 HZ2 TRP 46 2HZ TRP 46 0.181 -5.549 1.253 372 HZ3 TRP 46 3HZ TRP 46 2.094 -6.719 -2.403 373 HH2 TRP 46 HH TRP 46 2.226 -5.760 -0.134 374 H SER 47 H SER 47 -4.437 -10.538 -2.315 375 HA SER 47 HA SER 47 -3.275 -11.219 0.252 376 1HB SER 47 2HB SER 47 -5.715 -10.892 -0.347 377 2HB SER 47 1HB SER 47 -5.651 -12.441 -1.181 378 HG SER 47 HG SER 47 -5.312 -11.870 1.567 379 H GLU 48 H GLU 48 -2.648 -12.504 -2.818 380 HA GLU 48 HA GLU 48 -2.090 -15.229 -1.749 381 1HB GLU 48 2HB GLU 48 -2.657 -14.059 -4.480 382 2HB GLU 48 1HB GLU 48 -2.013 -15.690 -4.282 383 1HG GLU 48 2HG GLU 48 -4.414 -14.906 -2.676 384 2HG GLU 48 1HG GLU 48 -4.632 -15.277 -4.387 385 H GLN 49 H GLN 49 -0.560 -12.282 -2.638 386 HA GLN 49 HA GLN 49 1.861 -13.383 -3.779 387 1HB GLN 49 2HB GLN 49 0.702 -10.813 -3.010 388 2HB GLN 49 1HB GLN 49 2.399 -10.897 -2.557 389 1HG GLN 49 2HG GLN 49 2.131 -10.009 -4.844 390 2HG GLN 49 1HG GLN 49 2.995 -11.545 -4.857 391 1HE2 GLN 49 1HE2 GLN 49 -0.353 -10.250 -5.207 392 2HE2 GLN 49 2HE2 GLN 49 -0.848 -11.431 -6.319 393 H SER 50 H SER 50 3.818 -13.787 -2.699 394 HA SER 50 HA SER 50 3.596 -14.383 0.200 395 1HB SER 50 2HB SER 50 5.578 -15.727 -0.236 396 2HB SER 50 1HB SER 50 4.432 -16.021 -1.541 397 HG SER 50 HG SER 50 6.398 -15.605 -2.474 398 H ALA 51 H ALA 51 6.516 -14.102 0.575 399 HA ALA 51 HA ALA 51 6.608 -11.305 1.339 400 1HB ALA 51 1HB ALA 51 8.599 -13.586 1.244 401 2HB ALA 51 2HB ALA 51 7.757 -12.945 2.655 402 3HB ALA 51 3HB ALA 51 9.019 -11.993 1.873 403 H LYS 52 H LYS 52 7.233 -12.896 -1.647 404 HA LYS 52 HA LYS 52 9.405 -11.268 -2.638 405 1HB LYS 52 2HB LYS 52 8.293 -13.544 -3.416 406 2HB LYS 52 1HB LYS 52 7.283 -12.472 -4.388 407 1HG LYS 52 2HG LYS 52 9.318 -11.444 -5.355 408 2HG LYS 52 1HG LYS 52 10.316 -12.549 -4.409 409 1HD LYS 52 2HD LYS 52 9.576 -14.441 -5.613 410 2HD LYS 52 1HD LYS 52 8.177 -13.586 -6.265 411 1HE LYS 52 2HE LYS 52 9.796 -13.735 -8.055 412 2HE LYS 52 1HE LYS 52 9.845 -12.058 -7.473 413 1HZ LYS 52 1HZ LYS 52 12.078 -12.962 -7.586 414 2HZ LYS 52 2HZ LYS 52 11.631 -14.267 -6.594 415 3HZ LYS 52 3HZ LYS 52 11.647 -12.687 -5.969 416 H ASP 53 H ASP 53 5.849 -11.078 -3.043 417 HA ASP 53 HA ASP 53 6.197 -8.221 -3.909 418 1HB ASP 53 2HB ASP 53 4.702 -10.533 -5.011 419 2HB ASP 53 1HB ASP 53 3.828 -9.000 -4.984 420 H LYS 54 H LYS 54 5.987 -8.423 -1.331 421 HA LYS 54 HA LYS 54 3.406 -7.296 -0.641 422 1HB LYS 54 2HB LYS 54 3.475 -10.004 -0.782 423 2HB LYS 54 1HB LYS 54 3.934 -9.761 0.899 424 1HG LYS 54 2HG LYS 54 1.910 -8.175 1.040 425 2HG LYS 54 1HG LYS 54 1.419 -8.851 -0.508 426 1HD LYS 54 2HD LYS 54 0.281 -10.143 1.136 427 2HD LYS 54 1HD LYS 54 1.621 -11.148 0.584 428 1HE LYS 54 2HE LYS 54 2.974 -10.352 2.542 429 2HE LYS 54 1HE LYS 54 1.540 -9.483 3.125 430 1HZ LYS 54 1HZ LYS 54 1.749 -12.398 2.588 431 2HZ LYS 54 2HZ LYS 54 0.304 -11.594 2.982 432 3HZ LYS 54 3HZ LYS 54 1.577 -11.663 4.106 433 H GLN 55 H GLN 55 6.454 -8.697 0.498 434 HA GLN 55 HA GLN 55 6.377 -7.533 3.144 435 1HB GLN 55 2HB GLN 55 8.283 -8.948 1.359 436 2HB GLN 55 1HB GLN 55 9.003 -7.984 2.647 437 1HG GLN 55 2HG GLN 55 6.821 -10.042 3.080 438 2HG GLN 55 1HG GLN 55 8.539 -10.352 3.328 439 1HE2 GLN 55 1HE2 GLN 55 5.697 -9.054 4.799 440 2HE2 GLN 55 2HE2 GLN 55 6.441 -8.412 6.182 441 HA PRO 56 HA PRO 56 9.258 -4.174 1.352 442 1HB PRO 56 2HB PRO 56 9.534 -3.946 -1.357 443 2HB PRO 56 1HB PRO 56 10.588 -4.961 -0.353 444 1HG PRO 56 2HG PRO 56 8.302 -5.737 -2.083 445 2HG PRO 56 1HG PRO 56 9.828 -6.580 -1.779 446 1HD PRO 56 2HD PRO 56 7.442 -7.254 -0.627 447 2HD PRO 56 1HD PRO 56 9.029 -7.619 0.084 448 H TYR 57 H TYR 57 6.119 -4.892 0.219 449 HA TYR 57 HA TYR 57 5.604 -2.227 -0.944 450 1HB TYR 57 2HB TYR 57 3.998 -4.732 -0.410 451 2HB TYR 57 1HB TYR 57 3.236 -3.258 -1.003 452 HD1 TYR 57 1HD TYR 57 5.202 -2.155 -2.875 453 HD2 TYR 57 2HD TYR 57 4.079 -6.247 -2.194 454 HE1 TYR 57 1HE TYR 57 5.900 -2.731 -5.181 455 HE2 TYR 57 2HE TYR 57 4.779 -6.819 -4.503 456 HH TYR 57 HH TYR 57 5.048 -5.597 -6.697 457 H GLU 58 H GLU 58 4.978 -3.991 2.046 458 HA GLU 58 HA GLU 58 3.261 -1.859 3.132 459 1HB GLU 58 2HB GLU 58 4.224 -3.548 5.250 460 2HB GLU 58 1HB GLU 58 2.612 -3.477 4.570 461 1HG GLU 58 2HG GLU 58 3.339 -5.115 2.814 462 2HG GLU 58 1HG GLU 58 4.894 -5.243 3.636 463 H GLN 59 H GLN 59 6.677 -2.494 3.010 464 HA GLN 59 HA GLN 59 7.298 -0.718 5.288 465 1HB GLN 59 2HB GLN 59 9.011 -2.053 3.168 466 2HB GLN 59 1HB GLN 59 9.618 -1.267 4.622 467 1HG GLN 59 2HG GLN 59 8.459 -2.878 6.037 468 2HG GLN 59 1HG GLN 59 7.713 -3.625 4.625 469 1HE2 GLN 59 1HE2 GLN 59 8.740 -5.617 4.341 470 2HE2 GLN 59 2HE2 GLN 59 10.421 -5.851 4.368 471 H LYS 60 H LYS 60 6.528 -0.387 1.970 472 HA LYS 60 HA LYS 60 8.157 2.021 1.469 473 1HB LYS 60 2HB LYS 60 7.321 0.107 -0.144 474 2HB LYS 60 1HB LYS 60 5.825 1.042 -0.172 475 1HG LYS 60 2HG LYS 60 6.897 2.942 -1.099 476 2HG LYS 60 1HG LYS 60 8.503 2.332 -0.696 477 1HD LYS 60 2HD LYS 60 6.833 0.615 -2.463 478 2HD LYS 60 1HD LYS 60 7.455 2.107 -3.168 479 1HE LYS 60 2HE LYS 60 9.283 0.264 -1.622 480 2HE LYS 60 1HE LYS 60 8.958 -0.002 -3.346 481 1HZ LYS 60 1HZ LYS 60 9.860 2.567 -2.155 482 2HZ LYS 60 2HZ LYS 60 9.586 2.270 -3.805 483 3HZ LYS 60 3HZ LYS 60 10.860 1.487 -2.998 484 H ALA 61 H ALA 61 4.907 1.098 2.440 485 HA ALA 61 HA ALA 61 3.946 3.911 2.372 486 1HB ALA 61 1HB ALA 61 1.835 2.500 3.167 487 2HB ALA 61 2HB ALA 61 2.792 1.141 2.576 488 3HB ALA 61 3HB ALA 61 2.344 2.448 1.479 489 H ALA 62 H ALA 62 4.932 1.349 4.546 490 HA ALA 62 HA ALA 62 3.815 2.242 7.006 491 1HB ALA 62 1HB ALA 62 4.847 0.102 6.896 492 2HB ALA 62 2HB ALA 62 5.935 1.056 7.904 493 3HB ALA 62 3HB ALA 62 6.330 0.766 6.210 494 H LYS 63 H LYS 63 6.853 3.171 5.354 495 HA LYS 63 HA LYS 63 7.757 4.966 7.454 496 1HB LYS 63 2HB LYS 63 8.936 3.801 5.374 497 2HB LYS 63 1HB LYS 63 8.455 5.285 4.548 498 1HG LYS 63 2HG LYS 63 9.752 6.644 5.972 499 2HG LYS 63 1HG LYS 63 9.875 5.388 7.205 500 1HD LYS 63 2HD LYS 63 11.127 4.019 5.398 501 2HD LYS 63 1HD LYS 63 11.300 5.558 4.553 502 1HE LYS 63 2HE LYS 63 12.467 6.537 6.456 503 2HE LYS 63 1HE LYS 63 12.179 5.076 7.424 504 1HZ LYS 63 1HZ LYS 63 14.374 5.034 6.369 505 2HZ LYS 63 2HZ LYS 63 13.647 5.161 4.839 506 3HZ LYS 63 3HZ LYS 63 13.386 3.780 5.795 507 H LEU 64 H LEU 64 6.374 5.557 4.221 508 HA LEU 64 HA LEU 64 5.972 8.308 4.240 509 1HB LEU 64 2HB LEU 64 4.617 5.920 3.084 510 2HB LEU 64 1HB LEU 64 3.748 7.448 2.970 511 HG LEU 64 HG LEU 64 5.184 7.030 0.986 512 1HD1 LEU 64 1HD1 LEU 64 4.697 9.353 2.029 513 2HD1 LEU 64 2HD1 LEU 64 5.993 9.239 0.837 514 3HD1 LEU 64 3HD1 LEU 64 6.380 9.307 2.557 515 1HD2 LEU 64 1HD2 LEU 64 7.540 7.403 2.849 516 2HD2 LEU 64 2HD2 LEU 64 7.571 6.957 1.144 517 3HD2 LEU 64 3HD2 LEU 64 6.974 5.812 2.343 518 H LYS 65 H LYS 65 4.179 5.874 6.027 519 HA LYS 65 HA LYS 65 1.952 7.588 6.809 520 1HB LYS 65 2HB LYS 65 1.924 5.090 6.773 521 2HB LYS 65 1HB LYS 65 3.124 5.077 8.066 522 1HG LYS 65 2HG LYS 65 1.617 5.991 9.637 523 2HG LYS 65 1HG LYS 65 0.516 6.560 8.380 524 1HD LYS 65 2HD LYS 65 0.015 4.198 7.783 525 2HD LYS 65 1HD LYS 65 1.053 3.665 9.106 526 1HE LYS 65 2HE LYS 65 -0.413 4.491 10.759 527 2HE LYS 65 1HE LYS 65 -1.226 5.581 9.618 528 1HZ LYS 65 1HZ LYS 65 -1.255 2.612 9.470 529 2HZ LYS 65 2HZ LYS 65 -2.045 3.672 8.404 530 3HZ LYS 65 3HZ LYS 65 -2.538 3.570 10.026 531 H GLU 66 H GLU 66 4.894 6.407 8.439 532 HA GLU 66 HA GLU 66 4.635 7.931 10.848 533 1HB GLU 66 2HB GLU 66 6.177 5.973 10.289 534 2HB GLU 66 1HB GLU 66 7.204 7.133 9.446 535 1HG GLU 66 2HG GLU 66 7.354 8.467 11.554 536 2HG GLU 66 1HG GLU 66 6.437 7.206 12.379 537 H LYS 67 H LYS 67 5.896 8.751 7.659 538 HA LYS 67 HA LYS 67 7.139 11.265 8.474 539 1HB LYS 67 2HB LYS 67 6.526 9.764 5.957 540 2HB LYS 67 1HB LYS 67 6.919 11.478 5.824 541 1HG LYS 67 2HG LYS 67 8.644 9.599 7.436 542 2HG LYS 67 1HG LYS 67 8.880 9.797 5.699 543 1HD LYS 67 2HD LYS 67 8.884 12.352 6.237 544 2HD LYS 67 1HD LYS 67 9.217 11.832 7.889 545 1HE LYS 67 2HE LYS 67 10.847 10.782 5.567 546 2HE LYS 67 1HE LYS 67 11.272 12.293 6.396 547 1HZ LYS 67 1HZ LYS 67 12.343 10.398 7.460 548 2HZ LYS 67 2HZ LYS 67 10.832 9.661 7.707 549 3HZ LYS 67 3HZ LYS 67 11.213 11.111 8.505 550 H TYR 68 H TYR 68 3.920 10.250 7.601 551 HA TYR 68 HA TYR 68 2.865 12.768 6.656 552 1HB TYR 68 2HB TYR 68 1.930 10.403 6.446 553 2HB TYR 68 1HB TYR 68 1.440 10.533 8.131 554 HD1 TYR 68 1HD TYR 68 -0.851 10.870 8.288 555 HD2 TYR 68 2HD TYR 68 1.358 12.919 5.227 556 HE1 TYR 68 1HE TYR 68 -2.916 12.048 7.588 557 HE2 TYR 68 2HE TYR 68 -0.709 14.100 4.528 558 HH TYR 68 HH TYR 68 -3.440 14.278 6.383 559 H GLU 69 H GLU 69 3.288 11.303 9.826 560 HA GLU 69 HA GLU 69 1.678 13.025 11.413 561 1HB GLU 69 2HB GLU 69 4.310 11.639 12.026 562 2HB GLU 69 1HB GLU 69 3.177 12.240 13.236 563 1HG GLU 69 2HG GLU 69 1.448 10.756 11.887 564 2HG GLU 69 1HG GLU 69 2.905 9.900 11.382 565 H LYS 70 H LYS 70 5.112 13.361 10.425 566 HA LYS 70 HA LYS 70 5.401 15.938 11.796 567 1HB LYS 70 2HB LYS 70 7.072 14.255 9.909 568 2HB LYS 70 1HB LYS 70 7.625 15.816 10.518 569 1HG LYS 70 2HG LYS 70 7.582 15.052 12.785 570 2HG LYS 70 1HG LYS 70 6.700 13.588 12.344 571 1HD LYS 70 2HD LYS 70 8.692 12.954 10.903 572 2HD LYS 70 1HD LYS 70 9.563 14.288 11.658 573 1HE LYS 70 2HE LYS 70 9.480 13.278 13.808 574 2HE LYS 70 1HE LYS 70 8.204 12.148 13.314 575 1HZ LYS 70 1HZ LYS 70 10.384 11.078 13.282 576 2HZ LYS 70 2HZ LYS 70 10.954 12.244 12.186 577 3HZ LYS 70 3HZ LYS 70 9.727 11.166 11.721 578 H ASP 71 H ASP 71 4.840 14.732 8.530 579 HA ASP 71 HA ASP 71 5.168 17.196 7.085 580 1HB ASP 71 2HB ASP 71 3.996 14.502 6.728 581 2HB ASP 71 1HB ASP 71 3.257 15.748 5.726 582 H ILE 72 H ILE 72 2.255 15.569 8.339 583 HA ILE 72 HA ILE 72 0.426 17.716 7.758 584 HB ILE 72 HB ILE 72 0.457 15.324 9.624 585 1HG1 ILE 72 2HG1 ILE 72 0.342 14.890 7.203 586 2HG1 ILE 72 1HG1 ILE 72 -1.167 14.440 7.992 587 1HG2 ILE 72 1HG2 ILE 72 -1.060 16.772 10.751 588 2HG2 ILE 72 2HG2 ILE 72 -2.080 15.735 9.755 589 3HG2 ILE 72 3HG2 ILE 72 -1.726 17.384 9.236 590 1HD1 ILE 72 1HD1 ILE 72 -1.845 15.633 6.052 591 2HD1 ILE 72 2HD1 ILE 72 -0.604 16.865 6.277 592 3HD1 ILE 72 3HD1 ILE 72 -1.993 16.805 7.360 593 H ALA 73 H ALA 73 2.515 16.994 10.521 594 HA ALA 73 HA ALA 73 1.445 18.754 12.470 595 1HB ALA 73 1HB ALA 73 4.316 17.997 11.834 596 2HB ALA 73 2HB ALA 73 3.212 17.105 12.881 597 3HB ALA 73 3HB ALA 73 3.781 18.706 13.356 598 H ALA 74 H ALA 74 3.909 19.434 9.961 599 HA ALA 74 HA ALA 74 4.237 22.222 10.637 600 1HB ALA 74 1HB ALA 74 5.928 20.953 9.441 601 2HB ALA 74 2HB ALA 74 5.356 22.238 8.377 602 3HB ALA 74 3HB ALA 74 4.791 20.584 8.144 603 H TYR 75 H TYR 75 1.778 20.511 8.903 604 HA TYR 75 HA TYR 75 0.821 23.017 7.585 605 1HB TYR 75 2HB TYR 75 1.229 20.889 6.282 606 2HB TYR 75 1HB TYR 75 -0.065 20.139 7.218 607 HD1 TYR 75 1HD TYR 75 0.759 22.554 4.588 608 HD2 TYR 75 2HD TYR 75 -2.399 20.925 7.001 609 HE1 TYR 75 1HE TYR 75 -0.923 23.550 3.061 610 HE2 TYR 75 2HE TYR 75 -4.080 21.920 5.474 611 HH TYR 75 HH TYR 75 -3.880 22.655 2.750 612 H ARG 76 H ARG 76 0.303 21.073 10.336 613 HA ARG 76 HA ARG 76 -2.583 21.252 10.559 614 1HB ARG 76 2HB ARG 76 -1.032 19.632 11.714 615 2HB ARG 76 1HB ARG 76 -0.475 20.968 12.723 616 1HG ARG 76 2HG ARG 76 -2.651 21.272 13.680 617 2HG ARG 76 1HG ARG 76 -3.392 20.196 12.494 618 1HD ARG 76 2HD ARG 76 -2.633 18.280 13.556 619 2HD ARG 76 1HD ARG 76 -1.194 19.089 14.209 620 HE ARG 76 HE ARG 76 -3.934 19.267 15.343 621 1HH1 ARG 76 1HH1 ARG 76 -2.754 21.941 15.584 622 2HH1 ARG 76 2HH1 ARG 76 -1.848 21.846 17.057 623 1HH2 ARG 76 1HH2 ARG 76 -1.841 18.380 17.138 624 2HH2 ARG 76 2HH2 ARG 76 -1.330 19.829 17.937 625 H ALA 77 H ALA 77 -0.008 22.949 12.391 626 HA ALA 77 HA ALA 77 -1.775 24.937 13.498 627 1HB ALA 77 1HB ALA 77 0.243 24.488 14.644 628 2HB ALA 77 2HB ALA 77 0.535 26.060 13.899 629 3HB ALA 77 3HB ALA 77 1.201 24.601 13.167 630 H LYS 78 H LYS 78 0.944 25.610 11.340 631 HA LYS 78 HA LYS 78 -0.346 28.012 10.280 632 1HB LYS 78 2HB LYS 78 2.091 27.767 10.744 633 2HB LYS 78 1HB LYS 78 2.188 26.543 9.478 634 1HG LYS 78 2HG LYS 78 1.262 28.270 7.874 635 2HG LYS 78 1HG LYS 78 1.469 29.467 9.153 636 1HD LYS 78 2HD LYS 78 3.773 29.399 9.037 637 2HD LYS 78 1HD LYS 78 3.801 27.720 8.498 638 1HE LYS 78 2HE LYS 78 3.239 28.316 6.258 639 2HE LYS 78 1HE LYS 78 2.747 29.952 6.739 640 1HZ LYS 78 1HZ LYS 78 4.983 29.992 5.840 641 2HZ LYS 78 2HZ LYS 78 5.485 28.813 6.957 642 3HZ LYS 78 3HZ LYS 78 5.021 30.356 7.497 Start of MODEL 26 1 1H MET 1 1HT MET 1 1.449 16.172 -8.194 2 2H MET 1 2HT MET 1 1.292 17.228 -6.873 3 3H MET 1 3HT MET 1 2.827 16.673 -7.343 4 HA MET 1 HA MET 1 2.612 17.862 -9.466 5 1HB MET 1 2HB MET 1 -0.069 18.309 -8.188 6 2HB MET 1 1HB MET 1 0.556 19.520 -9.308 7 1HG MET 1 2HG MET 1 0.471 16.582 -10.009 8 2HG MET 1 1HG MET 1 -0.884 17.662 -10.333 9 1HE MET 1 1HE MET 1 -0.795 19.448 -12.650 10 2HE MET 1 2HE MET 1 0.615 20.462 -12.356 11 3HE MET 1 3HE MET 1 -0.415 19.986 -11.008 12 H LYS 2 H LYS 2 1.271 19.290 -6.457 13 HA LYS 2 HA LYS 2 3.292 21.474 -6.631 14 1HB LYS 2 2HB LYS 2 0.653 21.007 -5.261 15 2HB LYS 2 1HB LYS 2 1.730 22.275 -4.672 16 1HG LYS 2 2HG LYS 2 1.854 23.003 -7.173 17 2HG LYS 2 1HG LYS 2 0.386 22.043 -7.357 18 1HD LYS 2 2HD LYS 2 -0.627 23.346 -5.462 19 2HD LYS 2 1HD LYS 2 0.801 24.382 -5.474 20 1HE LYS 2 2HE LYS 2 -0.734 25.551 -6.852 21 2HE LYS 2 1HE LYS 2 0.263 24.667 -8.026 22 1HZ LYS 2 1HZ LYS 2 -2.094 24.296 -8.444 23 2HZ LYS 2 2HZ LYS 2 -2.301 23.711 -6.863 24 3HZ LYS 2 3HZ LYS 2 -1.337 22.856 -7.969 25 H LYS 3 H LYS 3 3.929 18.668 -5.747 26 HA LYS 3 HA LYS 3 4.468 18.995 -2.843 27 1HB LYS 3 2HB LYS 3 3.513 16.903 -3.880 28 2HB LYS 3 1HB LYS 3 5.040 16.692 -4.737 29 1HG LYS 3 2HG LYS 3 5.323 15.373 -2.807 30 2HG LYS 3 1HG LYS 3 6.131 16.884 -2.386 31 1HD LYS 3 2HD LYS 3 4.760 16.369 -0.508 32 2HD LYS 3 1HD LYS 3 3.889 17.627 -1.386 33 1HE LYS 3 2HE LYS 3 2.811 15.516 -2.626 34 2HE LYS 3 1HE LYS 3 3.227 14.724 -1.093 35 1HZ LYS 3 1HZ LYS 3 1.756 17.295 -1.351 36 2HZ LYS 3 2HZ LYS 3 2.142 16.508 0.104 37 3HZ LYS 3 3HZ LYS 3 1.045 15.800 -0.982 38 H ASP 4 H ASP 4 6.195 20.483 -2.754 39 HA ASP 4 HA ASP 4 8.452 20.597 -4.488 40 1HB ASP 4 2HB ASP 4 7.631 21.556 -1.812 41 2HB ASP 4 1HB ASP 4 9.376 21.464 -2.052 42 HA PRO 5 HA PRO 5 11.045 17.274 -3.212 43 1HB PRO 5 2HB PRO 5 13.513 18.401 -2.840 44 2HB PRO 5 1HB PRO 5 12.793 18.160 -4.444 45 1HG PRO 5 2HG PRO 5 12.946 20.631 -2.790 46 2HG PRO 5 1HG PRO 5 13.135 20.429 -4.539 47 1HD PRO 5 2HD PRO 5 10.857 21.364 -3.382 48 2HD PRO 5 1HD PRO 5 10.876 20.476 -4.922 49 H ASN 6 H ASN 6 11.081 20.128 -1.149 50 HA ASN 6 HA ASN 6 12.292 18.811 1.160 51 1HB ASN 6 2HB ASN 6 10.947 21.416 0.508 52 2HB ASN 6 1HB ASN 6 11.184 20.984 2.201 53 1HD2 ASN 6 1HD2 ASN 6 13.650 19.814 2.304 54 2HD2 ASN 6 2HD2 ASN 6 14.853 20.849 1.703 55 H ALA 7 H ALA 7 9.010 19.372 -0.034 56 HA ALA 7 HA ALA 7 7.657 18.599 2.418 57 1HB ALA 7 1HB ALA 7 6.566 18.469 -0.397 58 2HB ALA 7 2HB ALA 7 6.835 20.009 0.421 59 3HB ALA 7 3HB ALA 7 5.697 18.840 1.091 60 HA PRO 8 HA PRO 8 7.981 14.261 1.737 61 1HB PRO 8 2HB PRO 8 6.224 13.405 3.629 62 2HB PRO 8 1HB PRO 8 7.867 13.974 3.965 63 1HG PRO 8 2HG PRO 8 5.348 15.245 4.575 64 2HG PRO 8 1HG PRO 8 6.988 15.608 5.098 65 1HD PRO 8 2HD PRO 8 5.435 16.957 3.078 66 2HD PRO 8 1HD PRO 8 6.994 17.412 3.794 67 H LYS 9 H LYS 9 7.052 12.964 0.186 68 HA LYS 9 HA LYS 9 4.770 13.477 -1.308 69 1HB LYS 9 2HB LYS 9 5.907 10.776 -0.521 70 2HB LYS 9 1HB LYS 9 4.902 11.092 -1.935 71 1HG LYS 9 2HG LYS 9 6.706 11.741 -3.119 72 2HG LYS 9 1HG LYS 9 7.090 12.970 -1.915 73 1HD LYS 9 2HD LYS 9 7.954 10.800 -0.580 74 2HD LYS 9 1HD LYS 9 8.183 10.215 -2.229 75 1HE LYS 9 2HE LYS 9 9.873 11.713 -2.662 76 2HE LYS 9 1HE LYS 9 9.128 12.988 -1.677 77 1HZ LYS 9 1HZ LYS 9 11.087 12.086 -0.575 78 2HZ LYS 9 2HZ LYS 9 10.422 10.523 -0.632 79 3HZ LYS 9 3HZ LYS 9 9.687 11.729 0.312 80 H ARG 10 H ARG 10 2.761 11.815 -1.391 81 HA ARG 10 HA ARG 10 1.268 12.224 1.073 82 1HB ARG 10 2HB ARG 10 0.647 10.641 -1.446 83 2HB ARG 10 1HB ARG 10 -0.530 11.195 -0.257 84 1HG ARG 10 2HG ARG 10 -0.040 13.518 -0.774 85 2HG ARG 10 1HG ARG 10 1.277 13.041 -1.845 86 1HD ARG 10 2HD ARG 10 -1.405 11.860 -2.419 87 2HD ARG 10 1HD ARG 10 -1.174 13.577 -2.805 88 HE ARG 10 HE ARG 10 0.931 12.820 -4.043 89 1HH1 ARG 10 1HH2 ARG 10 0.926 9.960 -3.348 90 2HH1 ARG 10 2HH2 ARG 10 0.118 9.230 -4.695 91 1HH2 ARG 10 1HH1 ARG 10 -1.256 12.206 -5.826 92 2HH2 ARG 10 2HH1 ARG 10 -1.117 10.501 -6.098 93 HA PRO 11 HA PRO 11 1.953 8.294 2.951 94 1HB PRO 11 2HB PRO 11 -0.468 7.755 4.093 95 2HB PRO 11 1HB PRO 11 0.633 9.001 4.713 96 1HG PRO 11 2HG PRO 11 -1.817 9.292 3.063 97 2HG PRO 11 1HG PRO 11 -1.190 10.331 4.351 98 1HD PRO 11 2HD PRO 11 -0.952 10.867 1.667 99 2HD PRO 11 1HD PRO 11 0.124 11.516 2.921 100 HA PRO 12 HA PRO 12 0.064 5.700 -0.249 101 1HB PRO 12 2HB PRO 12 2.152 3.951 -0.495 102 2HB PRO 12 1HB PRO 12 2.117 5.537 -1.285 103 1HG PRO 12 2HG PRO 12 3.710 4.622 0.978 104 2HG PRO 12 1HG PRO 12 3.969 5.997 -0.097 105 1HD PRO 12 2HD PRO 12 2.899 6.013 2.558 106 2HD PRO 12 1HD PRO 12 3.154 7.391 1.469 107 H SER 13 H SER 13 -0.579 3.416 -0.318 108 HA SER 13 HA SER 13 -0.621 2.114 2.387 109 1HB SER 13 2HB SER 13 -2.638 2.737 0.323 110 2HB SER 13 1HB SER 13 -2.735 1.092 0.944 111 HG SER 13 HG SER 13 -3.182 3.526 2.201 112 H ALA 14 H ALA 14 -0.571 -0.285 2.302 113 HA ALA 14 HA ALA 14 1.402 -1.340 0.521 114 1HB ALA 14 1HB ALA 14 1.077 -3.289 1.743 115 2HB ALA 14 2HB ALA 14 -0.671 -3.065 1.825 116 3HB ALA 14 3HB ALA 14 0.391 -2.099 2.849 117 H PHE 15 H PHE 15 -2.154 -1.991 0.591 118 HA PHE 15 HA PHE 15 -2.249 -3.461 -1.846 119 1HB PHE 15 2HB PHE 15 -4.044 -3.341 -0.142 120 2HB PHE 15 1HB PHE 15 -4.309 -1.644 -0.538 121 HD1 PHE 15 1HD PHE 15 -3.775 -4.728 -2.624 122 HD2 PHE 15 2HD PHE 15 -6.304 -1.376 -1.712 123 HE1 PHE 15 1HE PHE 15 -5.307 -5.385 -4.460 124 HE2 PHE 15 2HE PHE 15 -7.837 -2.035 -3.548 125 HZ PHE 15 HZ PHE 15 -7.339 -4.039 -4.921 126 H PHE 16 H PHE 16 -2.309 0.023 -1.203 127 HA PHE 16 HA PHE 16 -3.057 0.873 -3.851 128 1HB PHE 16 2HB PHE 16 -2.927 2.141 -1.560 129 2HB PHE 16 1HB PHE 16 -1.234 2.396 -1.984 130 HD1 PHE 16 1HD PHE 16 -4.631 3.471 -2.527 131 HD2 PHE 16 2HD PHE 16 -0.693 3.469 -4.241 132 HE1 PHE 16 1HE PHE 16 -5.282 5.337 -4.025 133 HE2 PHE 16 2HE PHE 16 -1.344 5.335 -5.739 134 HZ PHE 16 HZ PHE 16 -3.638 6.269 -5.632 135 H LEU 17 H LEU 17 0.004 -0.013 -2.343 136 HA LEU 17 HA LEU 17 1.745 0.927 -4.458 137 1HB LEU 17 2HB LEU 17 1.823 -0.796 -2.052 138 2HB LEU 17 1HB LEU 17 3.008 -1.214 -3.286 139 HG LEU 17 HG LEU 17 3.778 1.135 -3.321 140 1HD1 LEU 17 1HD1 LEU 17 2.212 1.682 -0.824 141 2HD1 LEU 17 2HD1 LEU 17 1.431 1.914 -2.388 142 3HD1 LEU 17 3HD1 LEU 17 2.886 2.821 -1.987 143 1HD2 LEU 17 1HD2 LEU 17 3.991 -0.707 -1.083 144 2HD2 LEU 17 2HD2 LEU 17 4.244 0.960 -0.569 145 3HD2 LEU 17 3HD2 LEU 17 5.241 0.269 -1.849 146 H PHE 18 H PHE 18 1.154 -2.462 -3.618 147 HA PHE 18 HA PHE 18 1.731 -3.859 -5.893 148 1HB PHE 18 2HB PHE 18 0.879 -4.914 -3.897 149 2HB PHE 18 1HB PHE 18 -0.678 -4.105 -4.062 150 HD1 PHE 18 1HD PHE 18 1.534 -6.725 -5.487 151 HD2 PHE 18 2HD PHE 18 -2.385 -4.965 -5.521 152 HE1 PHE 18 1HE PHE 18 0.681 -8.648 -6.803 153 HE2 PHE 18 2HE PHE 18 -3.237 -6.885 -6.838 154 HZ PHE 18 HZ PHE 18 -1.707 -8.731 -7.476 155 H CYS 19 H CYS 19 -1.560 -2.376 -5.440 156 HA CYS 19 HA CYS 19 -2.451 -2.934 -8.095 157 1HB CYS 19 2HB CYS 19 -3.881 -2.355 -6.152 158 2HB CYS 19 1HB CYS 19 -3.213 -0.724 -6.155 159 HG CYS 19 HG CYS 19 -4.526 -1.555 -8.814 160 H SER 20 H SER 20 -0.975 0.006 -6.695 161 HA SER 20 HA SER 20 -1.097 1.721 -8.923 162 1HB SER 20 2HB SER 20 -0.366 2.477 -6.760 163 2HB SER 20 1HB SER 20 0.984 1.347 -6.757 164 HG SER 20 HG SER 20 1.975 2.531 -8.321 165 H GLU 21 H GLU 21 1.041 -1.050 -8.421 166 HA GLU 21 HA GLU 21 2.681 -0.256 -10.770 167 1HB GLU 21 2HB GLU 21 4.110 -2.136 -10.036 168 2HB GLU 21 1HB GLU 21 3.785 -1.024 -8.709 169 1HG GLU 21 2HG GLU 21 2.288 -2.502 -7.669 170 2HG GLU 21 1HG GLU 21 2.027 -3.429 -9.147 171 H HIS 22 H HIS 22 0.096 -2.510 -9.913 172 HA HIS 22 HA HIS 22 0.489 -3.992 -12.472 173 1HB HIS 22 2HB HIS 22 -1.115 -4.415 -9.937 174 2HB HIS 22 1HB HIS 22 -1.314 -5.436 -11.359 175 HD1 HIS 22 1HD HIS 22 1.138 -6.441 -12.270 176 HD2 HIS 22 2HD HIS 22 0.836 -5.371 -8.253 177 HE1 HIS 22 1HE HIS 22 3.012 -7.644 -11.064 178 H ARG 23 H ARG 23 -0.828 -1.157 -11.886 179 HA ARG 23 HA ARG 23 -3.600 -1.596 -12.748 180 1HB ARG 23 2HB ARG 23 -2.696 0.132 -11.081 181 2HB ARG 23 1HB ARG 23 -2.114 1.020 -12.485 182 1HG ARG 23 2HG ARG 23 -4.389 1.114 -13.400 183 2HG ARG 23 1HG ARG 23 -4.989 0.180 -12.029 184 1HD ARG 23 2HD ARG 23 -3.534 2.817 -11.675 185 2HD ARG 23 1HD ARG 23 -5.300 2.706 -11.822 186 HE ARG 23 HE ARG 23 -4.048 0.911 -9.836 187 1HH1 ARG 23 1HH2 ARG 23 -3.802 3.884 -9.119 188 2HH1 ARG 23 2HH2 ARG 23 -5.218 4.100 -8.143 189 1HH2 ARG 23 1HH1 ARG 23 -6.713 1.153 -9.195 190 2HH2 ARG 23 2HH1 ARG 23 -6.866 2.553 -8.187 191 HA PRO 24 HA PRO 24 -1.978 0.541 -16.687 192 1HB PRO 24 2HB PRO 24 0.710 0.619 -17.167 193 2HB PRO 24 1HB PRO 24 -0.159 1.906 -16.308 194 1HG PRO 24 2HG PRO 24 1.574 -0.243 -15.240 195 2HG PRO 24 1HG PRO 24 1.340 1.413 -14.667 196 1HD PRO 24 2HD PRO 24 0.213 -0.837 -13.537 197 2HD PRO 24 1HD PRO 24 -0.380 0.821 -13.318 198 H LYS 25 H LYS 25 -0.791 -2.404 -15.384 199 HA LYS 25 HA LYS 25 0.068 -3.582 -17.939 200 1HB LYS 25 2HB LYS 25 1.019 -4.101 -15.662 201 2HB LYS 25 1HB LYS 25 -0.523 -4.849 -15.244 202 1HG LYS 25 2HG LYS 25 -0.254 -6.575 -16.830 203 2HG LYS 25 1HG LYS 25 0.989 -5.689 -17.714 204 1HD LYS 25 2HD LYS 25 2.299 -5.834 -15.432 205 2HD LYS 25 1HD LYS 25 1.215 -7.192 -15.126 206 1HE LYS 25 2HE LYS 25 3.022 -8.249 -16.201 207 2HE LYS 25 1HE LYS 25 1.937 -7.925 -17.567 208 1HZ LYS 25 1HZ LYS 25 4.205 -7.112 -17.979 209 2HZ LYS 25 2HZ LYS 25 4.079 -6.092 -16.626 210 3HZ LYS 25 3HZ LYS 25 3.069 -5.852 -17.971 211 H ILE 26 H ILE 26 -2.791 -3.563 -15.858 212 HA ILE 26 HA ILE 26 -4.190 -5.677 -17.304 213 HB ILE 26 HB ILE 26 -5.143 -3.521 -15.387 214 1HG1 ILE 26 2HG1 ILE 26 -3.376 -4.942 -14.417 215 2HG1 ILE 26 1HG1 ILE 26 -4.930 -5.284 -13.664 216 1HG2 ILE 26 1HG2 ILE 26 -7.196 -4.304 -15.913 217 2HG2 ILE 26 2HG2 ILE 26 -6.735 -5.796 -15.096 218 3HG2 ILE 26 3HG2 ILE 26 -6.529 -5.649 -16.841 219 1HD1 ILE 26 1HD1 ILE 26 -3.889 -7.406 -14.131 220 2HD1 ILE 26 2HD1 ILE 26 -3.521 -6.923 -15.788 221 3HD1 ILE 26 3HD1 ILE 26 -5.193 -7.200 -15.301 222 H LYS 27 H LYS 27 -3.731 -2.260 -17.782 223 HA LYS 27 HA LYS 27 -6.178 -1.762 -19.282 224 1HB LYS 27 2HB LYS 27 -3.532 -0.366 -18.853 225 2HB LYS 27 1HB LYS 27 -4.754 0.297 -19.942 226 1HG LYS 27 2HG LYS 27 -6.401 0.046 -17.989 227 2HG LYS 27 1HG LYS 27 -4.981 -0.203 -16.972 228 1HD LYS 27 2HD LYS 27 -4.188 1.968 -17.315 229 2HD LYS 27 1HD LYS 27 -5.089 2.165 -18.818 230 1HE LYS 27 2HE LYS 27 -7.162 2.450 -17.656 231 2HE LYS 27 1HE LYS 27 -6.460 1.882 -16.128 232 1HZ LYS 27 1HZ LYS 27 -4.954 3.745 -16.131 233 2HZ LYS 27 2HZ LYS 27 -6.548 4.322 -16.255 234 3HZ LYS 27 3HZ LYS 27 -5.548 4.279 -17.629 235 H SER 28 H SER 28 -3.102 -3.206 -20.045 236 HA SER 28 HA SER 28 -3.127 -2.633 -22.902 237 1HB SER 28 2HB SER 28 -1.616 -4.344 -20.962 238 2HB SER 28 1HB SER 28 -1.468 -4.709 -22.679 239 HG SER 28 HG SER 28 -0.883 -2.292 -21.321 240 H GLU 29 H GLU 29 -4.074 -5.405 -20.869 241 HA GLU 29 HA GLU 29 -5.112 -6.861 -23.243 242 1HB GLU 29 2HB GLU 29 -4.750 -7.501 -20.304 243 2HB GLU 29 1HB GLU 29 -5.467 -8.631 -21.453 244 1HG GLU 29 2HG GLU 29 -3.357 -8.293 -22.870 245 2HG GLU 29 1HG GLU 29 -2.657 -7.517 -21.448 246 H HIS 30 H HIS 30 -6.346 -4.464 -21.322 247 HA HIS 30 HA HIS 30 -9.132 -5.363 -21.806 248 1HB HIS 30 2HB HIS 30 -8.033 -4.546 -19.096 249 2HB HIS 30 1HB HIS 30 -9.726 -4.874 -19.445 250 HD1 HIS 30 1HD HIS 30 -10.445 -7.329 -19.709 251 HD2 HIS 30 2HD HIS 30 -6.352 -6.869 -19.089 252 HE1 HIS 30 1HE HIS 30 -9.531 -9.642 -19.225 253 HA PRO 31 HA PRO 31 -8.355 -0.877 -22.658 254 1HB PRO 31 2HB PRO 31 -9.951 -0.783 -24.888 255 2HB PRO 31 1HB PRO 31 -8.238 -1.254 -24.940 256 1HG PRO 31 2HG PRO 31 -10.673 -2.984 -24.907 257 2HG PRO 31 1HG PRO 31 -9.198 -3.135 -25.878 258 1HD PRO 31 2HD PRO 31 -9.619 -4.642 -23.680 259 2HD PRO 31 1HD PRO 31 -7.996 -4.085 -24.149 260 H GLY 32 H GLY 32 -9.579 0.041 -21.013 261 1HA GLY 32 2HA GLY 32 -11.696 1.340 -20.714 262 2HA GLY 32 1HA GLY 32 -12.555 -0.079 -21.313 263 H LEU 33 H LEU 33 -10.530 -1.761 -19.680 264 HA LEU 33 HA LEU 33 -12.047 -2.542 -17.515 265 1HB LEU 33 2HB LEU 33 -9.588 -3.099 -18.546 266 2HB LEU 33 1HB LEU 33 -9.136 -2.363 -17.011 267 HG LEU 33 HG LEU 33 -9.399 -4.812 -16.796 268 1HD1 LEU 33 1HD1 LEU 33 -10.116 -3.037 -15.005 269 2HD1 LEU 33 2HD1 LEU 33 -10.526 -4.736 -14.765 270 3HD1 LEU 33 3HD1 LEU 33 -11.745 -3.612 -15.362 271 1HD2 LEU 33 1HD2 LEU 33 -12.349 -4.700 -17.033 272 2HD2 LEU 33 2HD2 LEU 33 -11.227 -5.967 -17.531 273 3HD2 LEU 33 3HD2 LEU 33 -11.476 -4.555 -18.558 274 H SER 34 H SER 34 -12.987 -1.273 -16.046 275 HA SER 34 HA SER 34 -11.840 1.208 -15.036 276 1HB SER 34 2HB SER 34 -13.904 0.738 -13.417 277 2HB SER 34 1HB SER 34 -14.168 1.209 -15.090 278 HG SER 34 HG SER 34 -14.910 -0.726 -15.498 279 H ILE 35 H ILE 35 -12.323 1.148 -12.328 280 HA ILE 35 HA ILE 35 -10.113 -0.550 -11.332 281 HB ILE 35 HB ILE 35 -11.842 1.572 -10.016 282 1HG1 ILE 35 2HG1 ILE 35 -10.585 2.466 -11.943 283 2HG1 ILE 35 1HG1 ILE 35 -9.918 3.079 -10.432 284 1HG2 ILE 35 1HG2 ILE 35 -9.404 0.039 -9.160 285 2HG2 ILE 35 2HG2 ILE 35 -10.852 0.435 -8.235 286 3HG2 ILE 35 3HG2 ILE 35 -9.652 1.683 -8.571 287 1HD1 ILE 35 1HD1 ILE 35 -8.071 2.404 -11.851 288 2HD1 ILE 35 2HD1 ILE 35 -8.805 0.824 -12.127 289 3HD1 ILE 35 3HD1 ILE 35 -8.196 1.246 -10.527 290 H GLY 36 H GLY 36 -13.081 -1.467 -11.974 291 1HA GLY 36 2HA GLY 36 -13.853 -2.483 -9.301 292 2HA GLY 36 1HA GLY 36 -14.834 -2.582 -10.764 293 H ASP 37 H ASP 37 -13.433 -3.854 -12.594 294 HA ASP 37 HA ASP 37 -13.284 -6.586 -11.674 295 1HB ASP 37 2HB ASP 37 -12.491 -5.119 -14.198 296 2HB ASP 37 1HB ASP 37 -12.336 -6.868 -14.041 297 H THR 38 H THR 38 -10.730 -4.344 -12.854 298 HA THR 38 HA THR 38 -8.490 -5.999 -12.372 299 HB THR 38 HB THR 38 -8.919 -2.991 -12.302 300 HG1 THR 38 1HG THR 38 -8.294 -4.906 -14.233 301 1HG2 THR 38 1HG2 THR 38 -6.478 -2.761 -12.588 302 2HG2 THR 38 2HG2 THR 38 -6.290 -4.506 -12.410 303 3HG2 THR 38 3HG2 THR 38 -6.856 -3.537 -11.050 304 H ALA 39 H ALA 39 -10.100 -3.704 -10.158 305 HA ALA 39 HA ALA 39 -8.327 -4.057 -7.929 306 1HB ALA 39 1HB ALA 39 -9.946 -2.213 -8.167 307 2HB ALA 39 2HB ALA 39 -10.251 -3.095 -6.671 308 3HB ALA 39 3HB ALA 39 -11.281 -3.362 -8.077 309 H LYS 40 H LYS 40 -11.019 -5.934 -9.175 310 HA LYS 40 HA LYS 40 -11.347 -7.590 -6.788 311 1HB LYS 40 2HB LYS 40 -12.406 -7.399 -9.573 312 2HB LYS 40 1HB LYS 40 -12.561 -8.959 -8.762 313 1HG LYS 40 2HG LYS 40 -13.433 -7.479 -6.754 314 2HG LYS 40 1HG LYS 40 -13.782 -6.318 -8.036 315 1HD LYS 40 2HD LYS 40 -15.229 -7.848 -9.162 316 2HD LYS 40 1HD LYS 40 -14.676 -9.204 -8.177 317 1HE LYS 40 2HE LYS 40 -15.566 -7.719 -6.173 318 2HE LYS 40 1HE LYS 40 -16.557 -6.980 -7.446 319 1HZ LYS 40 1HZ LYS 40 -16.323 -9.895 -6.906 320 2HZ LYS 40 2HZ LYS 40 -17.252 -9.189 -8.141 321 3HZ LYS 40 3HZ LYS 40 -17.659 -8.927 -6.512 322 H LYS 41 H LYS 41 -9.391 -7.669 -9.723 323 HA LYS 41 HA LYS 41 -8.574 -10.484 -9.257 324 1HB LYS 41 2HB LYS 41 -8.265 -8.379 -11.377 325 2HB LYS 41 1HB LYS 41 -7.149 -9.744 -11.361 326 1HG LYS 41 2HG LYS 41 -9.092 -11.299 -11.360 327 2HG LYS 41 1HG LYS 41 -10.174 -9.910 -11.470 328 1HD LYS 41 2HD LYS 41 -9.915 -10.612 -13.714 329 2HD LYS 41 1HD LYS 41 -8.804 -9.251 -13.559 330 1HE LYS 41 2HE LYS 41 -7.000 -10.995 -12.968 331 2HE LYS 41 1HE LYS 41 -8.141 -12.202 -13.595 332 1HZ LYS 41 1HZ LYS 41 -6.704 -11.352 -15.360 333 2HZ LYS 41 2HZ LYS 41 -7.234 -9.769 -15.044 334 3HZ LYS 41 3HZ LYS 41 -8.323 -10.930 -15.637 335 H LEU 42 H LEU 42 -7.409 -7.212 -8.786 336 HA LEU 42 HA LEU 42 -4.606 -7.931 -8.350 337 1HB LEU 42 2HB LEU 42 -6.375 -5.563 -8.335 338 2HB LEU 42 1HB LEU 42 -5.046 -5.476 -7.180 339 HG LEU 42 HG LEU 42 -3.470 -6.077 -9.035 340 1HD1 LEU 42 1HD1 LEU 42 -5.187 -7.177 -10.478 341 2HD1 LEU 42 2HD1 LEU 42 -4.268 -5.942 -11.339 342 3HD1 LEU 42 3HD1 LEU 42 -5.904 -5.594 -10.780 343 1HD2 LEU 42 1HD2 LEU 42 -4.281 -3.689 -8.299 344 2HD2 LEU 42 2HD2 LEU 42 -5.043 -3.669 -9.890 345 3HD2 LEU 42 3HD2 LEU 42 -3.295 -3.866 -9.750 346 H GLY 43 H GLY 43 -7.183 -6.689 -6.198 347 1HA GLY 43 2HA GLY 43 -5.906 -7.133 -3.722 348 2HA GLY 43 1HA GLY 43 -7.660 -7.162 -3.935 349 H GLU 44 H GLU 44 -7.371 -9.422 -5.919 350 HA GLU 44 HA GLU 44 -7.587 -11.634 -4.039 351 1HB GLU 44 2HB GLU 44 -8.852 -11.404 -6.190 352 2HB GLU 44 1HB GLU 44 -7.333 -11.574 -7.071 353 1HG GLU 44 2HG GLU 44 -6.998 -13.806 -6.107 354 2HG GLU 44 1HG GLU 44 -8.483 -13.640 -5.170 355 H MET 45 H MET 45 -5.183 -10.506 -6.422 356 HA MET 45 HA MET 45 -3.309 -12.681 -5.886 357 1HB MET 45 2HB MET 45 -3.391 -10.115 -7.456 358 2HB MET 45 1HB MET 45 -1.844 -10.926 -7.212 359 1HG MET 45 2HG MET 45 -2.892 -13.036 -8.099 360 2HG MET 45 1HG MET 45 -4.328 -12.092 -8.499 361 1HE MET 45 1HE MET 45 -3.543 -9.419 -9.480 362 2HE MET 45 2HE MET 45 -4.612 -10.523 -10.341 363 3HE MET 45 3HE MET 45 -3.322 -9.696 -11.213 364 H TRP 46 H TRP 46 -3.618 -9.242 -4.955 365 HA TRP 46 HA TRP 46 -1.197 -8.837 -3.557 366 1HB TRP 46 2HB TRP 46 -2.823 -7.088 -3.995 367 2HB TRP 46 1HB TRP 46 -4.036 -7.891 -3.005 368 HD1 TRP 46 HD TRP 46 -4.268 -6.728 -0.753 369 HE1 TRP 46 1HE TRP 46 -2.670 -5.566 0.903 370 HE3 TRP 46 3HE TRP 46 0.115 -7.196 -3.305 371 HZ2 TRP 46 2HZ TRP 46 0.113 -4.925 1.111 372 HZ3 TRP 46 3HZ TRP 46 2.228 -6.302 -2.363 373 HH2 TRP 46 HH TRP 46 2.228 -5.171 -0.166 374 H SER 47 H SER 47 -4.267 -10.199 -2.296 375 HA SER 47 HA SER 47 -3.272 -10.759 0.350 376 1HB SER 47 2HB SER 47 -5.668 -10.547 -0.431 377 2HB SER 47 1HB SER 47 -5.495 -12.121 -1.203 378 HG SER 47 HG SER 47 -6.240 -11.756 1.200 379 H GLU 48 H GLU 48 -2.462 -12.210 -2.632 380 HA GLU 48 HA GLU 48 -1.880 -14.846 -1.395 381 1HB GLU 48 2HB GLU 48 -2.356 -13.758 -4.161 382 2HB GLU 48 1HB GLU 48 -1.446 -15.256 -3.966 383 1HG GLU 48 2HG GLU 48 -4.113 -14.853 -2.612 384 2HG GLU 48 1HG GLU 48 -3.999 -15.467 -4.263 385 H GLN 49 H GLN 49 -0.375 -11.869 -2.437 386 HA GLN 49 HA GLN 49 2.177 -12.830 -3.261 387 1HB GLN 49 2HB GLN 49 1.356 -10.304 -1.775 388 2HB GLN 49 1HB GLN 49 2.877 -10.512 -2.636 389 1HG GLN 49 2HG GLN 49 0.113 -10.598 -3.872 390 2HG GLN 49 1HG GLN 49 1.270 -9.285 -4.024 391 1HE2 GLN 49 1HE2 GLN 49 0.142 -11.018 -6.197 392 2HE2 GLN 49 2HE2 GLN 49 1.484 -11.738 -6.947 393 H SER 50 H SER 50 4.007 -13.355 -2.049 394 HA SER 50 HA SER 50 3.561 -13.965 0.813 395 1HB SER 50 2HB SER 50 5.568 -15.336 0.507 396 2HB SER 50 1HB SER 50 4.480 -15.613 -0.851 397 HG SER 50 HG SER 50 6.093 -15.005 -2.042 398 H ALA 51 H ALA 51 6.874 -13.473 0.408 399 HA ALA 51 HA ALA 51 6.660 -10.764 1.645 400 1HB ALA 51 1HB ALA 51 7.746 -12.369 3.042 401 2HB ALA 51 2HB ALA 51 9.050 -11.403 2.350 402 3HB ALA 51 3HB ALA 51 8.697 -13.003 1.698 403 H LYS 52 H LYS 52 7.360 -12.160 -1.358 404 HA LYS 52 HA LYS 52 9.617 -10.449 -2.111 405 1HB LYS 52 2HB LYS 52 9.000 -12.778 -2.988 406 2HB LYS 52 1HB LYS 52 7.703 -11.987 -3.886 407 1HG LYS 52 2HG LYS 52 9.415 -11.953 -5.464 408 2HG LYS 52 1HG LYS 52 9.645 -10.387 -4.686 409 1HD LYS 52 2HD LYS 52 11.812 -11.310 -4.693 410 2HD LYS 52 1HD LYS 52 11.225 -11.667 -3.069 411 1HE LYS 52 2HE LYS 52 10.955 -13.939 -3.518 412 2HE LYS 52 1HE LYS 52 10.740 -13.669 -5.260 413 1HZ LYS 52 1HZ LYS 52 13.050 -12.938 -5.386 414 2HZ LYS 52 2HZ LYS 52 12.950 -14.532 -4.808 415 3HZ LYS 52 3HZ LYS 52 13.256 -13.252 -3.733 416 H ASP 53 H ASP 53 6.103 -10.527 -2.688 417 HA ASP 53 HA ASP 53 6.275 -7.715 -3.720 418 1HB ASP 53 2HB ASP 53 4.982 -10.191 -4.668 419 2HB ASP 53 1HB ASP 53 3.927 -8.778 -4.681 420 H LYS 54 H LYS 54 6.081 -7.894 -1.050 421 HA LYS 54 HA LYS 54 3.469 -6.771 -0.448 422 1HB LYS 54 2HB LYS 54 3.593 -9.489 -0.516 423 2HB LYS 54 1HB LYS 54 3.982 -9.186 1.171 424 1HG LYS 54 2HG LYS 54 1.925 -7.597 1.140 425 2HG LYS 54 1HG LYS 54 1.498 -8.410 -0.361 426 1HD LYS 54 2HD LYS 54 0.335 -9.585 1.340 427 2HD LYS 54 1HD LYS 54 1.713 -10.601 0.923 428 1HE LYS 54 2HE LYS 54 2.931 -9.295 2.857 429 2HE LYS 54 1HE LYS 54 1.276 -8.944 3.396 430 1HZ LYS 54 1HZ LYS 54 2.379 -11.635 2.779 431 2HZ LYS 54 2HZ LYS 54 0.769 -11.314 3.216 432 3HZ LYS 54 3HZ LYS 54 2.025 -11.039 4.327 433 H GLN 55 H GLN 55 6.525 -8.103 0.782 434 HA GLN 55 HA GLN 55 6.346 -6.828 3.389 435 1HB GLN 55 2HB GLN 55 8.322 -8.358 1.762 436 2HB GLN 55 1HB GLN 55 8.951 -7.400 3.101 437 1HG GLN 55 2HG GLN 55 6.655 -9.353 3.388 438 2HG GLN 55 1HG GLN 55 8.336 -9.778 3.711 439 1HE2 GLN 55 1HE2 GLN 55 5.527 -8.220 5.028 440 2HE2 GLN 55 2HE2 GLN 55 6.247 -7.670 6.463 441 HA PRO 56 HA PRO 56 9.437 -3.683 1.529 442 1HB PRO 56 2HB PRO 56 9.749 -3.589 -1.189 443 2HB PRO 56 1HB PRO 56 10.763 -4.586 -0.128 444 1HG PRO 56 2HG PRO 56 8.440 -5.373 -1.812 445 2HG PRO 56 1HG PRO 56 9.959 -6.232 -1.512 446 1HD PRO 56 2HD PRO 56 7.624 -6.867 -0.296 447 2HD PRO 56 1HD PRO 56 9.210 -7.140 0.453 448 H TYR 57 H TYR 57 6.329 -4.421 0.282 449 HA TYR 57 HA TYR 57 5.869 -1.687 -0.781 450 1HB TYR 57 2HB TYR 57 4.341 -4.297 -0.700 451 2HB TYR 57 1HB TYR 57 3.588 -2.799 -1.253 452 HD1 TYR 57 1HD TYR 57 4.972 -1.433 -3.046 453 HD2 TYR 57 2HD TYR 57 5.499 -5.619 -2.246 454 HE1 TYR 57 1HE TYR 57 6.025 -1.722 -5.269 455 HE2 TYR 57 2HE TYR 57 6.555 -5.907 -4.473 456 HH TYR 57 HH TYR 57 6.259 -3.912 -6.919 457 H GLU 58 H GLU 58 4.951 -3.798 1.911 458 HA GLU 58 HA GLU 58 3.092 -1.790 3.023 459 1HB GLU 58 2HB GLU 58 2.668 -3.531 4.685 460 2HB GLU 58 1HB GLU 58 2.703 -4.273 3.090 461 1HG GLU 58 2HG GLU 58 5.147 -4.845 3.533 462 2HG GLU 58 1HG GLU 58 4.880 -4.328 5.194 463 H GLN 59 H GLN 59 6.411 -2.871 3.469 464 HA GLN 59 HA GLN 59 6.775 -1.407 5.998 465 1HB GLN 59 2HB GLN 59 8.666 -2.795 4.074 466 2HB GLN 59 1HB GLN 59 9.120 -2.194 5.667 467 1HG GLN 59 2HG GLN 59 6.868 -4.171 5.254 468 2HG GLN 59 1HG GLN 59 8.532 -4.674 5.555 469 1HE2 GLN 59 1HE2 GLN 59 5.661 -3.300 7.039 470 2HE2 GLN 59 2HE2 GLN 59 6.275 -3.241 8.620 471 H LYS 60 H LYS 60 6.544 -0.474 2.771 472 HA LYS 60 HA LYS 60 8.532 1.736 3.027 473 1HB LYS 60 2HB LYS 60 8.501 0.145 1.053 474 2HB LYS 60 1HB LYS 60 6.916 0.797 0.634 475 1HG LYS 60 2HG LYS 60 9.049 2.804 1.124 476 2HG LYS 60 1HG LYS 60 9.239 1.818 -0.326 477 1HD LYS 60 2HD LYS 60 7.033 2.455 -1.116 478 2HD LYS 60 1HD LYS 60 6.701 3.314 0.388 479 1HE LYS 60 2HE LYS 60 8.598 4.861 -0.102 480 2HE LYS 60 1HE LYS 60 8.833 4.035 -1.655 481 1HZ LYS 60 1HZ LYS 60 6.327 5.342 -0.731 482 2HZ LYS 60 2HZ LYS 60 6.502 4.484 -2.187 483 3HZ LYS 60 3HZ LYS 60 7.365 5.926 -1.939 484 H ALA 61 H ALA 61 5.118 0.998 2.935 485 HA ALA 61 HA ALA 61 4.397 3.877 2.637 486 1HB ALA 61 1HB ALA 61 2.929 2.807 1.254 487 2HB ALA 61 2HB ALA 61 2.081 2.357 2.734 488 3HB ALA 61 3HB ALA 61 3.240 1.244 2.009 489 H ALA 62 H ALA 62 4.244 1.144 4.833 490 HA ALA 62 HA ALA 62 2.488 2.384 6.791 491 1HB ALA 62 1HB ALA 62 3.018 0.415 8.079 492 2HB ALA 62 2HB ALA 62 4.510 0.156 7.172 493 3HB ALA 62 3HB ALA 62 2.948 -0.087 6.390 494 H LYS 63 H LYS 63 6.034 2.088 6.445 495 HA LYS 63 HA LYS 63 6.523 3.498 8.987 496 1HB LYS 63 2HB LYS 63 7.847 1.600 7.670 497 2HB LYS 63 1HB LYS 63 8.603 2.991 6.893 498 1HG LYS 63 2HG LYS 63 9.976 2.520 8.778 499 2HG LYS 63 1HG LYS 63 8.991 3.902 9.262 500 1HD LYS 63 2HD LYS 63 7.509 2.515 10.535 501 2HD LYS 63 1HD LYS 63 8.198 1.042 9.853 502 1HE LYS 63 2HE LYS 63 10.409 1.687 10.921 503 2HE LYS 63 1HE LYS 63 9.535 2.976 11.772 504 1HZ LYS 63 1HZ LYS 63 9.567 0.937 13.085 505 2HZ LYS 63 2HZ LYS 63 8.828 0.088 11.814 506 3HZ LYS 63 3HZ LYS 63 7.985 1.326 12.616 507 H LEU 64 H LEU 64 5.662 4.506 5.888 508 HA LEU 64 HA LEU 64 7.206 7.058 6.089 509 1HB LEU 64 2HB LEU 64 6.832 5.279 4.019 510 2HB LEU 64 1HB LEU 64 5.612 6.502 3.673 511 HG LEU 64 HG LEU 64 8.527 7.106 4.239 512 1HD1 LEU 64 1HD1 LEU 64 8.758 7.483 1.845 513 2HD1 LEU 64 2HD1 LEU 64 7.051 7.120 1.589 514 3HD1 LEU 64 3HD1 LEU 64 8.156 5.845 2.105 515 1HD2 LEU 64 1HD2 LEU 64 7.902 9.340 3.339 516 2HD2 LEU 64 2HD2 LEU 64 6.987 8.938 4.792 517 3HD2 LEU 64 3HD2 LEU 64 6.229 8.800 3.205 518 H LYS 65 H LYS 65 4.038 5.649 6.348 519 HA LYS 65 HA LYS 65 2.549 8.124 5.865 520 1HB LYS 65 2HB LYS 65 1.677 5.876 5.347 521 2HB LYS 65 1HB LYS 65 1.805 5.424 7.046 522 1HG LYS 65 2HG LYS 65 0.026 6.791 7.684 523 2HG LYS 65 1HG LYS 65 0.217 7.859 6.293 524 1HD LYS 65 2HD LYS 65 -0.476 5.874 4.842 525 2HD LYS 65 1HD LYS 65 -0.951 5.070 6.339 526 1HE LYS 65 2HE LYS 65 -1.966 7.834 5.617 527 2HE LYS 65 1HE LYS 65 -2.821 6.351 5.145 528 1HZ LYS 65 1HZ LYS 65 -2.724 5.641 7.483 529 2HZ LYS 65 2HZ LYS 65 -3.616 7.074 7.287 530 3HZ LYS 65 3HZ LYS 65 -2.034 7.132 7.903 531 H GLU 66 H GLU 66 3.591 6.216 8.684 532 HA GLU 66 HA GLU 66 2.208 7.781 10.671 533 1HB GLU 66 2HB GLU 66 3.661 6.536 12.218 534 2HB GLU 66 1HB GLU 66 3.060 5.463 10.957 535 1HG GLU 66 2HG GLU 66 5.203 5.788 9.711 536 2HG GLU 66 1HG GLU 66 5.799 6.768 11.049 537 H LYS 67 H LYS 67 5.271 8.206 9.008 538 HA LYS 67 HA LYS 67 6.170 10.303 10.901 539 1HB LYS 67 2HB LYS 67 7.592 8.467 9.801 540 2HB LYS 67 1HB LYS 67 7.448 9.405 8.313 541 1HG LYS 67 2HG LYS 67 9.468 10.161 9.310 542 2HG LYS 67 1HG LYS 67 8.281 11.408 9.695 543 1HD LYS 67 2HD LYS 67 7.886 9.902 11.843 544 2HD LYS 67 1HD LYS 67 9.528 9.362 11.489 545 1HE LYS 67 2HE LYS 67 9.948 11.215 12.862 546 2HE LYS 67 1HE LYS 67 9.981 11.976 11.258 547 1HZ LYS 67 1HZ LYS 67 7.662 12.514 11.458 548 2HZ LYS 67 2HZ LYS 67 8.473 13.121 12.822 549 3HZ LYS 67 3HZ LYS 67 7.548 11.700 12.942 550 H TYR 68 H TYR 68 4.437 10.081 7.912 551 HA TYR 68 HA TYR 68 5.168 12.706 6.843 552 1HB TYR 68 2HB TYR 68 4.508 11.077 5.281 553 2HB TYR 68 1HB TYR 68 3.206 10.484 6.297 554 HD1 TYR 68 1HD TYR 68 1.070 11.779 6.464 555 HD2 TYR 68 2HD TYR 68 4.182 12.856 3.707 556 HE1 TYR 68 1HE TYR 68 -0.553 13.130 5.163 557 HE2 TYR 68 2HE TYR 68 2.560 14.210 2.407 558 HH TYR 68 HH TYR 68 -0.452 13.923 2.359 559 H GLU 69 H GLU 69 2.625 11.376 8.852 560 HA GLU 69 HA GLU 69 0.776 13.542 8.859 561 1HB GLU 69 2HB GLU 69 1.532 11.354 10.799 562 2HB GLU 69 1HB GLU 69 0.264 12.512 11.198 563 1HG GLU 69 2HG GLU 69 -0.703 11.919 8.856 564 2HG GLU 69 1HG GLU 69 0.331 10.494 8.964 565 H LYS 70 H LYS 70 3.717 13.008 10.823 566 HA LYS 70 HA LYS 70 3.256 15.465 12.393 567 1HB LYS 70 2HB LYS 70 5.317 13.266 12.227 568 2HB LYS 70 1HB LYS 70 5.649 14.725 13.161 569 1HG LYS 70 2HG LYS 70 3.893 14.316 14.666 570 2HG LYS 70 1HG LYS 70 3.073 13.218 13.556 571 1HD LYS 70 2HD LYS 70 5.274 11.793 13.800 572 2HD LYS 70 1HD LYS 70 5.468 12.710 15.293 573 1HE LYS 70 2HE LYS 70 3.107 12.027 15.921 574 2HE LYS 70 1HE LYS 70 3.135 10.928 14.528 575 1HZ LYS 70 1HZ LYS 70 5.165 9.940 15.387 576 2HZ LYS 70 2HZ LYS 70 3.918 9.811 16.533 577 3HZ LYS 70 3HZ LYS 70 5.136 10.980 16.726 578 H ASP 71 H ASP 71 5.572 14.242 9.991 579 HA ASP 71 HA ASP 71 7.244 16.475 9.607 580 1HB ASP 71 2HB ASP 71 6.266 14.147 8.079 581 2HB ASP 71 1HB ASP 71 6.863 15.451 7.077 582 H ILE 72 H ILE 72 4.275 15.712 7.800 583 HA ILE 72 HA ILE 72 4.061 18.080 6.259 584 HB ILE 72 HB ILE 72 2.039 16.156 7.446 585 1HG1 ILE 72 2HG1 ILE 72 3.827 15.296 5.901 586 2HG1 ILE 72 1HG1 ILE 72 2.184 15.040 5.338 587 1HG2 ILE 72 1HG2 ILE 72 1.655 18.375 5.433 588 2HG2 ILE 72 2HG2 ILE 72 0.697 18.023 6.872 589 3HG2 ILE 72 3HG2 ILE 72 0.600 16.961 5.465 590 1HD1 ILE 72 1HD1 ILE 72 4.024 17.279 4.440 591 2HD1 ILE 72 2HD1 ILE 72 2.374 17.028 3.874 592 3HD1 ILE 72 3HD1 ILE 72 3.625 15.842 3.500 593 H ALA 73 H ALA 73 3.193 17.422 9.604 594 HA ALA 73 HA ALA 73 1.413 19.526 10.211 595 1HB ALA 73 1HB ALA 73 2.388 17.549 11.605 596 2HB ALA 73 2HB ALA 73 1.971 19.041 12.450 597 3HB ALA 73 3HB ALA 73 3.654 18.695 12.050 598 H ALA 74 H ALA 74 4.998 19.614 10.220 599 HA ALA 74 HA ALA 74 5.091 22.441 10.966 600 1HB ALA 74 1HB ALA 74 6.798 20.665 11.506 601 2HB ALA 74 2HB ALA 74 7.487 22.095 10.738 602 3HB ALA 74 3HB ALA 74 7.225 20.627 9.796 603 H TYR 75 H TYR 75 5.137 20.581 7.971 604 HA TYR 75 HA TYR 75 5.892 22.931 6.344 605 1HB TYR 75 2HB TYR 75 6.697 20.580 5.956 606 2HB TYR 75 1HB TYR 75 5.041 20.132 5.545 607 HD1 TYR 75 1HD TYR 75 7.644 22.690 4.671 608 HD2 TYR 75 2HD TYR 75 4.348 20.289 3.320 609 HE1 TYR 75 1HE TYR 75 7.993 23.512 2.358 610 HE2 TYR 75 2HE TYR 75 4.698 21.111 1.007 611 HH TYR 75 HH TYR 75 7.494 22.721 0.032 612 H ARG 76 H ARG 76 3.004 21.849 7.713 613 HA ARG 76 HA ARG 76 1.224 22.323 5.440 614 1HB ARG 76 2HB ARG 76 0.767 20.755 7.319 615 2HB ARG 76 1HB ARG 76 0.705 22.127 8.425 616 1HG ARG 76 2HG ARG 76 -1.286 22.934 7.526 617 2HG ARG 76 1HG ARG 76 -1.029 22.136 5.975 618 1HD ARG 76 2HD ARG 76 -1.171 19.942 7.518 619 2HD ARG 76 1HD ARG 76 -2.174 21.029 8.499 620 HE ARG 76 HE ARG 76 -2.707 20.926 5.579 621 1HH1 ARG 76 1HH1 ARG 76 -4.456 22.117 7.823 622 2HH1 ARG 76 2HH1 ARG 76 -5.721 20.936 7.896 623 1HH2 ARG 76 1HH2 ARG 76 -3.961 18.552 6.095 624 2HH2 ARG 76 2HH2 ARG 76 -5.441 18.918 6.917 625 H ALA 77 H ALA 77 1.397 23.980 8.617 626 HA ALA 77 HA ALA 77 0.932 26.577 7.184 627 1HB ALA 77 1HB ALA 77 -1.102 25.737 8.268 628 2HB ALA 77 2HB ALA 77 -0.509 27.150 9.140 629 3HB ALA 77 3HB ALA 77 -0.231 25.532 9.787 630 H LYS 78 H LYS 78 2.990 27.477 7.374 631 HA LYS 78 HA LYS 78 4.415 27.332 9.983 632 1HB LYS 78 2HB LYS 78 5.373 26.876 7.611 633 2HB LYS 78 1HB LYS 78 5.353 28.630 7.423 634 1HG LYS 78 2HG LYS 78 7.520 28.157 8.254 635 2HG LYS 78 1HG LYS 78 6.620 28.701 9.670 636 1HD LYS 78 2HD LYS 78 6.102 26.259 10.143 637 2HD LYS 78 1HD LYS 78 7.272 25.851 8.886 638 1HE LYS 78 2HE LYS 78 9.068 26.917 10.104 639 2HE LYS 78 1HE LYS 78 7.929 27.596 11.284 640 1HZ LYS 78 1HZ LYS 78 8.349 24.700 10.757 641 2HZ LYS 78 2HZ LYS 78 7.248 25.355 11.873 642 3HZ LYS 78 3HZ LYS 78 8.920 25.544 12.114 Start of MODEL 27 1 1H MET 1 1HT MET 1 -4.750 26.840 -2.081 2 2H MET 1 2HT MET 1 -3.210 26.559 -1.421 3 3H MET 1 3HT MET 1 -4.603 26.217 -0.510 4 HA MET 1 HA MET 1 -5.220 24.458 -2.069 5 1HB MET 1 2HB MET 1 -2.803 25.660 -3.407 6 2HB MET 1 1HB MET 1 -3.258 23.989 -3.746 7 1HG MET 1 2HG MET 1 -5.610 24.879 -4.221 8 2HG MET 1 1HG MET 1 -4.890 26.490 -4.215 9 1HE MET 1 1HE MET 1 -2.443 26.794 -5.545 10 2HE MET 1 2HE MET 1 -3.923 27.583 -6.082 11 3HE MET 1 3HE MET 1 -2.853 26.837 -7.265 12 H LYS 2 H LYS 2 -4.917 22.812 -0.622 13 HA LYS 2 HA LYS 2 -2.284 22.471 0.715 14 1HB LYS 2 2HB LYS 2 -5.083 21.384 1.101 15 2HB LYS 2 1HB LYS 2 -3.709 20.806 2.046 16 1HG LYS 2 2HG LYS 2 -3.313 22.988 2.965 17 2HG LYS 2 1HG LYS 2 -4.451 23.734 1.841 18 1HD LYS 2 2HD LYS 2 -6.271 22.324 2.877 19 2HD LYS 2 1HD LYS 2 -5.102 21.824 4.101 20 1HE LYS 2 2HE LYS 2 -4.752 24.221 4.710 21 2HE LYS 2 1HE LYS 2 -6.013 24.671 3.545 22 1HZ LYS 2 1HZ LYS 2 -7.553 23.205 4.685 23 2HZ LYS 2 2HZ LYS 2 -6.938 24.359 5.771 24 3HZ LYS 2 3HZ LYS 2 -6.353 22.763 5.800 25 H LYS 3 H LYS 3 -1.376 20.245 0.844 26 HA LYS 3 HA LYS 3 -0.544 18.303 -0.212 27 1HB LYS 3 2HB LYS 3 -3.116 17.959 0.352 28 2HB LYS 3 1HB LYS 3 -3.269 17.927 -1.404 29 1HG LYS 3 2HG LYS 3 -1.528 16.157 -1.502 30 2HG LYS 3 1HG LYS 3 -1.457 16.155 0.260 31 1HD LYS 3 2HD LYS 3 -2.937 14.379 -0.282 32 2HD LYS 3 1HD LYS 3 -3.990 15.712 0.194 33 1HE LYS 3 2HE LYS 3 -4.619 16.176 -2.035 34 2HE LYS 3 1HE LYS 3 -3.223 15.305 -2.702 35 1HZ LYS 3 1HZ LYS 3 -5.226 13.947 -2.832 36 2HZ LYS 3 2HZ LYS 3 -5.449 14.084 -1.154 37 3HZ LYS 3 3HZ LYS 3 -4.101 13.254 -1.769 38 H ASP 4 H ASP 4 0.371 20.273 -1.679 39 HA ASP 4 HA ASP 4 0.490 19.320 -4.362 40 1HB ASP 4 2HB ASP 4 -1.682 21.145 -3.686 41 2HB ASP 4 1HB ASP 4 -0.687 21.752 -5.008 42 HA PRO 5 HA PRO 5 2.806 23.470 -4.216 43 1HB PRO 5 2HB PRO 5 2.446 25.118 -2.060 44 2HB PRO 5 1HB PRO 5 1.437 25.199 -3.519 45 1HG PRO 5 2HG PRO 5 0.857 23.944 -0.886 46 2HG PRO 5 1HG PRO 5 -0.219 24.832 -1.976 47 1HD PRO 5 2HD PRO 5 -0.175 22.105 -1.784 48 2HD PRO 5 1HD PRO 5 -0.671 22.978 -3.244 49 H ASN 6 H ASN 6 4.530 22.007 -3.779 50 HA ASN 6 HA ASN 6 6.339 21.084 -2.575 51 1HB ASN 6 2HB ASN 6 5.692 23.761 -1.460 52 2HB ASN 6 1HB ASN 6 6.784 22.765 -0.496 53 1HD2 ASN 6 1HD2 ASN 6 6.427 24.453 -3.586 54 2HD2 ASN 6 2HD2 ASN 6 8.047 24.293 -4.065 55 H ALA 7 H ALA 7 3.578 20.220 -1.815 56 HA ALA 7 HA ALA 7 3.886 19.664 1.106 57 1HB ALA 7 1HB ALA 7 1.544 19.305 1.061 58 2HB ALA 7 2HB ALA 7 1.541 18.996 -0.675 59 3HB ALA 7 3HB ALA 7 1.785 20.635 -0.073 60 HA PRO 8 HA PRO 8 4.840 15.478 0.286 61 1HB PRO 8 2HB PRO 8 3.646 14.156 2.339 62 2HB PRO 8 1HB PRO 8 5.152 15.081 2.468 63 1HG PRO 8 2HG PRO 8 2.476 15.747 3.431 64 2HG PRO 8 1HG PRO 8 4.068 16.325 3.902 65 1HD PRO 8 2HD PRO 8 2.194 17.700 2.304 66 2HD PRO 8 1HD PRO 8 3.856 18.186 2.691 67 H LYS 9 H LYS 9 4.040 13.778 -0.946 68 HA LYS 9 HA LYS 9 1.409 13.959 -2.083 69 1HB LYS 9 2HB LYS 9 3.589 11.861 -2.047 70 2HB LYS 9 1HB LYS 9 2.112 11.663 -2.989 71 1HG LYS 9 2HG LYS 9 2.919 12.991 -4.617 72 2HG LYS 9 1HG LYS 9 3.179 14.301 -3.467 73 1HD LYS 9 2HD LYS 9 5.314 13.752 -4.467 74 2HD LYS 9 1HD LYS 9 5.336 13.187 -2.796 75 1HE LYS 9 2HE LYS 9 4.520 10.918 -3.754 76 2HE LYS 9 1HE LYS 9 5.058 11.553 -5.321 77 1HZ LYS 9 1HZ LYS 9 7.200 12.103 -4.285 78 2HZ LYS 9 2HZ LYS 9 6.887 10.434 -4.242 79 3HZ LYS 9 3HZ LYS 9 6.687 11.374 -2.841 80 H ARG 10 H ARG 10 -0.082 11.987 -2.100 81 HA ARG 10 HA ARG 10 -1.216 11.531 0.467 82 1HB ARG 10 2HB ARG 10 -2.555 9.832 -0.745 83 2HB ARG 10 1HB ARG 10 -2.391 11.307 -1.695 84 1HG ARG 10 2HG ARG 10 -0.538 10.276 -2.972 85 2HG ARG 10 1HG ARG 10 -0.719 8.797 -2.028 86 1HD ARG 10 2HD ARG 10 -2.684 8.196 -3.095 87 2HD ARG 10 1HD ARG 10 -3.157 9.882 -3.390 88 HE ARG 10 HE ARG 10 -0.986 8.480 -4.906 89 1HH1 ARG 10 1HH2 ARG 10 -1.640 11.601 -4.590 90 2HH1 ARG 10 2HH2 ARG 10 -2.279 11.886 -6.175 91 1HH2 ARG 10 1HH1 ARG 10 -2.589 8.520 -6.945 92 2HH2 ARG 10 2HH1 ARG 10 -2.816 10.142 -7.508 93 HA PRO 11 HA PRO 11 1.454 8.328 1.949 94 1HB PRO 11 2HB PRO 11 -0.061 7.396 4.019 95 2HB PRO 11 1HB PRO 11 0.796 8.947 4.075 96 1HG PRO 11 2HG PRO 11 -2.078 8.394 3.692 97 2HG PRO 11 1HG PRO 11 -1.281 9.789 4.431 98 1HD PRO 11 2HD PRO 11 -2.370 9.682 1.858 99 2HD PRO 11 1HD PRO 11 -1.266 10.926 2.478 100 HA PRO 12 HA PRO 12 -0.371 4.801 -0.152 101 1HB PRO 12 2HB PRO 12 1.697 3.043 0.197 102 2HB PRO 12 1HB PRO 12 1.727 4.334 -1.020 103 1HG PRO 12 2HG PRO 12 3.015 4.229 1.659 104 2HG PRO 12 1HG PRO 12 3.628 4.894 0.138 105 1HD PRO 12 2HD PRO 12 2.608 6.428 2.144 106 2HD PRO 12 1HD PRO 12 2.560 6.895 0.430 107 H SER 13 H SER 13 -0.202 2.189 0.617 108 HA SER 13 HA SER 13 -0.390 1.872 3.524 109 1HB SER 13 2HB SER 13 -2.819 1.383 3.477 110 2HB SER 13 1HB SER 13 -2.486 3.035 2.962 111 HG SER 13 HG SER 13 -3.060 2.538 0.972 112 H ALA 14 H ALA 14 1.112 0.519 1.425 113 HA ALA 14 HA ALA 14 1.748 -1.683 0.958 114 1HB ALA 14 1HB ALA 14 0.313 -1.893 3.317 115 2HB ALA 14 2HB ALA 14 1.174 -3.219 2.536 116 3HB ALA 14 3HB ALA 14 -0.550 -2.997 2.246 117 H PHE 15 H PHE 15 -1.834 -1.979 1.103 118 HA PHE 15 HA PHE 15 -2.072 -3.414 -1.331 119 1HB PHE 15 2HB PHE 15 -3.798 -3.206 0.434 120 2HB PHE 15 1HB PHE 15 -4.016 -1.506 0.018 121 HD1 PHE 15 1HD PHE 15 -3.643 -4.631 -2.038 122 HD2 PHE 15 2HD PHE 15 -6.044 -1.196 -1.096 123 HE1 PHE 15 1HE PHE 15 -5.241 -5.257 -3.824 124 HE2 PHE 15 2HE PHE 15 -7.647 -1.828 -2.881 125 HZ PHE 15 HZ PHE 15 -7.243 -3.860 -4.246 126 H PHE 16 H PHE 16 -1.626 0.024 -0.793 127 HA PHE 16 HA PHE 16 -2.603 0.855 -3.418 128 1HB PHE 16 2HB PHE 16 -2.431 2.191 -1.218 129 2HB PHE 16 1HB PHE 16 -0.709 2.338 -1.575 130 HD1 PHE 16 1HD PHE 16 0.075 3.960 -3.102 131 HD2 PHE 16 2HD PHE 16 -4.104 2.969 -3.005 132 HE1 PHE 16 1HE PHE 16 -0.405 5.829 -4.660 133 HE2 PHE 16 2HE PHE 16 -4.583 4.839 -4.561 134 HZ PHE 16 HZ PHE 16 -2.734 6.269 -5.390 135 H LEU 17 H LEU 17 0.530 -0.113 -2.070 136 HA LEU 17 HA LEU 17 2.178 0.827 -4.252 137 1HB LEU 17 2HB LEU 17 2.369 -1.325 -2.138 138 2HB LEU 17 1HB LEU 17 3.641 -1.135 -3.344 139 HG LEU 17 HG LEU 17 3.618 1.369 -2.662 140 1HD1 LEU 17 1HD1 LEU 17 2.082 0.055 -0.415 141 2HD1 LEU 17 2HD1 LEU 17 1.647 1.496 -1.336 142 3HD1 LEU 17 3HD1 LEU 17 2.979 1.556 -0.180 143 1HD2 LEU 17 1HD2 LEU 17 4.581 -0.741 -0.708 144 2HD2 LEU 17 2HD2 LEU 17 5.188 0.910 -0.819 145 3HD2 LEU 17 3HD2 LEU 17 5.448 -0.217 -2.151 146 H PHE 18 H PHE 18 1.529 -2.578 -3.544 147 HA PHE 18 HA PHE 18 1.886 -3.864 -5.938 148 1HB PHE 18 2HB PHE 18 1.141 -4.971 -3.900 149 2HB PHE 18 1HB PHE 18 -0.413 -4.147 -3.970 150 HD1 PHE 18 1HD PHE 18 1.673 -6.813 -5.446 151 HD2 PHE 18 2HD PHE 18 -2.141 -4.838 -5.536 152 HE1 PHE 18 1HE PHE 18 0.745 -8.664 -6.813 153 HE2 PHE 18 2HE PHE 18 -3.066 -6.686 -6.902 154 HZ PHE 18 HZ PHE 18 -1.629 -8.602 -7.540 155 H CYS 19 H CYS 19 -1.299 -2.393 -5.082 156 HA CYS 19 HA CYS 19 -2.580 -2.680 -7.579 157 1HB CYS 19 2HB CYS 19 -2.706 -0.782 -5.256 158 2HB CYS 19 1HB CYS 19 -3.713 -0.463 -6.660 159 HG CYS 19 HG CYS 19 -5.186 -2.363 -6.030 160 H SER 20 H SER 20 -0.842 0.163 -6.336 161 HA SER 20 HA SER 20 -0.962 1.833 -8.601 162 1HB SER 20 2HB SER 20 -0.181 2.561 -6.423 163 2HB SER 20 1HB SER 20 1.188 1.457 -6.499 164 HG SER 20 HG SER 20 1.658 3.672 -7.092 165 H GLU 21 H GLU 21 1.273 -0.874 -7.982 166 HA GLU 21 HA GLU 21 2.861 -0.194 -10.380 167 1HB GLU 21 2HB GLU 21 4.252 -2.083 -9.626 168 2HB GLU 21 1HB GLU 21 3.930 -0.969 -8.300 169 1HG GLU 21 2HG GLU 21 2.390 -2.430 -7.282 170 2HG GLU 21 1HG GLU 21 2.160 -3.364 -8.761 171 H HIS 22 H HIS 22 0.281 -2.435 -9.486 172 HA HIS 22 HA HIS 22 0.632 -3.903 -12.061 173 1HB HIS 22 2HB HIS 22 -0.856 -4.359 -9.472 174 2HB HIS 22 1HB HIS 22 -1.182 -5.338 -10.901 175 HD1 HIS 22 1HD HIS 22 1.215 -6.309 -12.032 176 HD2 HIS 22 2HD HIS 22 1.160 -5.441 -7.956 177 HE1 HIS 22 1HE HIS 22 3.159 -7.569 -11.005 178 H ARG 23 H ARG 23 -0.634 -1.080 -11.542 179 HA ARG 23 HA ARG 23 -3.444 -1.501 -12.282 180 1HB ARG 23 2HB ARG 23 -2.730 0.267 -10.734 181 2HB ARG 23 1HB ARG 23 -1.732 0.988 -11.992 182 1HG ARG 23 2HG ARG 23 -3.617 1.617 -13.287 183 2HG ARG 23 1HG ARG 23 -4.691 0.546 -12.388 184 1HD ARG 23 2HD ARG 23 -5.162 2.720 -11.525 185 2HD ARG 23 1HD ARG 23 -4.072 2.005 -10.321 186 HE ARG 23 HE ARG 23 -2.253 3.328 -11.233 187 1HH1 ARG 23 1HH1 ARG 23 -3.070 3.417 -14.095 188 2HH1 ARG 23 2HH1 ARG 23 -3.598 5.055 -14.282 189 1HH2 ARG 23 1HH2 ARG 23 -3.903 5.624 -10.874 190 2HH2 ARG 23 2HH2 ARG 23 -4.069 6.306 -12.459 191 HA PRO 24 HA PRO 24 -1.916 0.329 -16.408 192 1HB PRO 24 2HB PRO 24 0.754 0.330 -16.978 193 2HB PRO 24 1HB PRO 24 -0.064 1.686 -16.180 194 1HG PRO 24 2HG PRO 24 1.670 -0.419 -15.027 195 2HG PRO 24 1HG PRO 24 1.484 1.278 -14.561 196 1HD PRO 24 2HD PRO 24 0.358 -0.867 -13.240 197 2HD PRO 24 1HD PRO 24 -0.199 0.813 -13.120 198 H LYS 25 H LYS 25 -0.841 -2.553 -14.938 199 HA LYS 25 HA LYS 25 -0.024 -3.917 -17.421 200 1HB LYS 25 2HB LYS 25 0.971 -4.300 -15.136 201 2HB LYS 25 1HB LYS 25 -0.577 -4.978 -14.631 202 1HG LYS 25 2HG LYS 25 0.567 -6.903 -15.275 203 2HG LYS 25 1HG LYS 25 -0.276 -6.490 -16.768 204 1HD LYS 25 2HD LYS 25 1.771 -5.217 -17.491 205 2HD LYS 25 1HD LYS 25 2.602 -5.850 -16.070 206 1HE LYS 25 2HE LYS 25 3.186 -7.412 -17.743 207 2HE LYS 25 1HE LYS 25 1.786 -8.188 -16.978 208 1HZ LYS 25 1HZ LYS 25 0.346 -7.157 -18.608 209 2HZ LYS 25 2HZ LYS 25 1.538 -8.075 -19.398 210 3HZ LYS 25 3HZ LYS 25 1.667 -6.382 -19.336 211 H ILE 26 H ILE 26 -2.791 -3.807 -15.204 212 HA ILE 26 HA ILE 26 -4.292 -5.936 -16.484 213 HB ILE 26 HB ILE 26 -5.111 -3.617 -14.697 214 1HG1 ILE 26 2HG1 ILE 26 -3.389 -5.076 -13.698 215 2HG1 ILE 26 1HG1 ILE 26 -4.934 -5.281 -12.879 216 1HG2 ILE 26 1HG2 ILE 26 -6.542 -6.159 -15.513 217 2HG2 ILE 26 2HG2 ILE 26 -7.097 -4.498 -15.713 218 3HG2 ILE 26 3HG2 ILE 26 -7.008 -5.210 -14.102 219 1HD1 ILE 26 1HD1 ILE 26 -5.360 -7.281 -14.364 220 2HD1 ILE 26 2HD1 ILE 26 -4.008 -7.483 -13.250 221 3HD1 ILE 26 3HD1 ILE 26 -3.704 -7.123 -14.949 222 H LYS 27 H LYS 27 -3.700 -2.622 -17.309 223 HA LYS 27 HA LYS 27 -6.188 -2.201 -18.795 224 1HB LYS 27 2HB LYS 27 -3.557 -0.768 -18.416 225 2HB LYS 27 1HB LYS 27 -4.756 -0.180 -19.569 226 1HG LYS 27 2HG LYS 27 -6.425 0.019 -17.814 227 2HG LYS 27 1HG LYS 27 -5.331 -0.719 -16.643 228 1HD LYS 27 2HD LYS 27 -4.859 1.467 -16.149 229 2HD LYS 27 1HD LYS 27 -3.756 1.298 -17.516 230 1HE LYS 27 2HE LYS 27 -5.953 1.957 -18.899 231 2HE LYS 27 1HE LYS 27 -6.366 2.747 -17.363 232 1HZ LYS 27 1HZ LYS 27 -4.996 4.163 -18.838 233 2HZ LYS 27 2HZ LYS 27 -3.746 3.017 -18.739 234 3HZ LYS 27 3HZ LYS 27 -4.253 3.847 -17.346 235 H SER 28 H SER 28 -3.186 -3.790 -19.443 236 HA SER 28 HA SER 28 -3.084 -3.302 -22.312 237 1HB SER 28 2HB SER 28 -1.148 -3.897 -20.855 238 2HB SER 28 1HB SER 28 -1.864 -5.483 -20.588 239 HG SER 28 HG SER 28 -0.520 -5.769 -22.279 240 H GLU 29 H GLU 29 -4.048 -6.125 -20.315 241 HA GLU 29 HA GLU 29 -5.187 -7.479 -22.683 242 1HB GLU 29 2HB GLU 29 -4.719 -8.117 -19.773 243 2HB GLU 29 1HB GLU 29 -5.683 -9.188 -20.790 244 1HG GLU 29 2HG GLU 29 -2.953 -8.261 -21.671 245 2HG GLU 29 1HG GLU 29 -3.139 -9.659 -20.612 246 H HIS 30 H HIS 30 -6.354 -5.036 -20.801 247 HA HIS 30 HA HIS 30 -9.166 -5.868 -21.268 248 1HB HIS 30 2HB HIS 30 -8.096 -4.958 -18.573 249 2HB HIS 30 1HB HIS 30 -9.771 -5.358 -18.937 250 HD1 HIS 30 1HD HIS 30 -10.412 -7.838 -19.072 251 HD2 HIS 30 2HD HIS 30 -6.335 -7.229 -18.474 252 HE1 HIS 30 1HE HIS 30 -9.431 -10.099 -18.484 253 HA PRO 31 HA PRO 31 -8.230 -1.439 -22.271 254 1HB PRO 31 2HB PRO 31 -9.856 -1.365 -24.483 255 2HB PRO 31 1HB PRO 31 -8.162 -1.898 -24.539 256 1HG PRO 31 2HG PRO 31 -10.655 -3.540 -24.399 257 2HG PRO 31 1HG PRO 31 -9.209 -3.774 -25.398 258 1HD PRO 31 2HD PRO 31 -9.612 -5.199 -23.152 259 2HD PRO 31 1HD PRO 31 -7.986 -4.682 -23.655 260 H GLY 32 H GLY 32 -9.430 0.040 -21.148 261 1HA GLY 32 2HA GLY 32 -11.448 1.271 -20.675 262 2HA GLY 32 1HA GLY 32 -12.391 -0.106 -21.240 263 H LEU 33 H LEU 33 -10.383 -1.788 -19.488 264 HA LEU 33 HA LEU 33 -12.079 -2.268 -17.279 265 1HB LEU 33 2HB LEU 33 -9.978 -3.488 -18.332 266 2HB LEU 33 1HB LEU 33 -9.099 -2.597 -17.094 267 HG LEU 33 HG LEU 33 -9.738 -4.834 -16.278 268 1HD1 LEU 33 1HD1 LEU 33 -9.910 -2.549 -14.896 269 2HD1 LEU 33 2HD1 LEU 33 -10.323 -4.104 -14.178 270 3HD1 LEU 33 3HD1 LEU 33 -11.596 -3.044 -14.785 271 1HD2 LEU 33 1HD2 LEU 33 -11.900 -4.757 -17.769 272 2HD2 LEU 33 2HD2 LEU 33 -12.629 -4.005 -16.351 273 3HD2 LEU 33 3HD2 LEU 33 -11.940 -5.625 -16.234 274 H SER 34 H SER 34 -12.696 -0.375 -16.182 275 HA SER 34 HA SER 34 -10.928 1.702 -15.292 276 1HB SER 34 2HB SER 34 -12.914 1.978 -13.607 277 2HB SER 34 1HB SER 34 -13.236 2.182 -15.325 278 HG SER 34 HG SER 34 -14.710 0.760 -14.178 279 H ILE 35 H ILE 35 -10.908 2.057 -12.690 280 HA ILE 35 HA ILE 35 -9.186 -0.030 -11.631 281 HB ILE 35 HB ILE 35 -10.476 2.416 -10.375 282 1HG1 ILE 35 2HG1 ILE 35 -7.704 2.006 -11.546 283 2HG1 ILE 35 1HG1 ILE 35 -9.023 2.838 -12.369 284 1HG2 ILE 35 1HG2 ILE 35 -8.279 0.548 -9.456 285 2HG2 ILE 35 2HG2 ILE 35 -9.733 1.029 -8.582 286 3HG2 ILE 35 3HG2 ILE 35 -8.431 2.191 -8.833 287 1HD1 ILE 35 1HD1 ILE 35 -9.028 4.616 -10.819 288 2HD1 ILE 35 2HD1 ILE 35 -7.313 4.282 -11.063 289 3HD1 ILE 35 3HD1 ILE 35 -8.131 3.687 -9.618 290 H GLY 36 H GLY 36 -12.583 0.213 -11.783 291 1HA GLY 36 2HA GLY 36 -13.357 -0.791 -9.224 292 2HA GLY 36 1HA GLY 36 -14.300 -0.962 -10.705 293 H ASP 37 H ASP 37 -13.315 -2.655 -12.284 294 HA ASP 37 HA ASP 37 -13.273 -5.222 -10.980 295 1HB ASP 37 2HB ASP 37 -12.906 -4.083 -13.709 296 2HB ASP 37 1HB ASP 37 -12.313 -5.721 -13.452 297 H THR 38 H THR 38 -10.714 -3.141 -12.310 298 HA THR 38 HA THR 38 -8.509 -4.931 -12.039 299 HB THR 38 HB THR 38 -8.937 -1.945 -12.122 300 HG1 THR 38 1HG THR 38 -7.770 -2.269 -14.064 301 1HG2 THR 38 1HG2 THR 38 -6.420 -1.698 -12.311 302 2HG2 THR 38 2HG2 THR 38 -6.278 -3.334 -11.670 303 3HG2 THR 38 3HG2 THR 38 -7.000 -2.061 -10.685 304 H ALA 39 H ALA 39 -10.165 -2.884 -9.690 305 HA ALA 39 HA ALA 39 -8.196 -3.200 -7.557 306 1HB ALA 39 1HB ALA 39 -9.677 -1.288 -7.609 307 2HB ALA 39 2HB ALA 39 -10.135 -2.260 -6.210 308 3HB ALA 39 3HB ALA 39 -11.100 -2.328 -7.685 309 H LYS 40 H LYS 40 -10.963 -5.025 -8.707 310 HA LYS 40 HA LYS 40 -11.253 -6.646 -6.285 311 1HB LYS 40 2HB LYS 40 -12.343 -6.609 -9.097 312 2HB LYS 40 1HB LYS 40 -12.651 -7.996 -8.051 313 1HG LYS 40 2HG LYS 40 -13.795 -6.663 -6.445 314 2HG LYS 40 1HG LYS 40 -13.205 -5.162 -7.159 315 1HD LYS 40 2HD LYS 40 -14.539 -5.539 -9.163 316 2HD LYS 40 1HD LYS 40 -15.057 -7.113 -8.558 317 1HE LYS 40 2HE LYS 40 -16.196 -6.028 -6.656 318 2HE LYS 40 1HE LYS 40 -15.661 -4.440 -7.240 319 1HZ LYS 40 1HZ LYS 40 -16.785 -4.838 -9.324 320 2HZ LYS 40 2HZ LYS 40 -17.895 -5.006 -8.048 321 3HZ LYS 40 3HZ LYS 40 -17.264 -6.383 -8.818 322 H LYS 41 H LYS 41 -9.711 -6.901 -9.454 323 HA LYS 41 HA LYS 41 -8.827 -9.659 -9.143 324 1HB LYS 41 2HB LYS 41 -9.134 -8.098 -11.240 325 2HB LYS 41 1HB LYS 41 -7.490 -7.579 -10.867 326 1HG LYS 41 2HG LYS 41 -6.591 -9.713 -11.243 327 2HG LYS 41 1HG LYS 41 -8.150 -10.511 -11.027 328 1HD LYS 41 2HD LYS 41 -8.928 -9.290 -13.124 329 2HD LYS 41 1HD LYS 41 -7.242 -8.840 -13.380 330 1HE LYS 41 2HE LYS 41 -6.590 -11.215 -13.433 331 2HE LYS 41 1HE LYS 41 -8.274 -11.690 -13.133 332 1HZ LYS 41 1HZ LYS 41 -7.779 -11.671 -15.510 333 2HZ LYS 41 2HZ LYS 41 -7.329 -10.035 -15.416 334 3HZ LYS 41 3HZ LYS 41 -8.938 -10.495 -15.121 335 H LEU 42 H LEU 42 -7.090 -6.526 -9.021 336 HA LEU 42 HA LEU 42 -4.549 -7.356 -8.209 337 1HB LEU 42 2HB LEU 42 -6.272 -4.967 -7.951 338 2HB LEU 42 1HB LEU 42 -4.928 -5.029 -6.820 339 HG LEU 42 HG LEU 42 -3.326 -5.224 -8.614 340 1HD1 LEU 42 1HD1 LEU 42 -5.777 -5.593 -10.338 341 2HD1 LEU 42 2HD1 LEU 42 -4.344 -6.616 -10.237 342 3HD1 LEU 42 3HD1 LEU 42 -4.250 -5.042 -11.028 343 1HD2 LEU 42 1HD2 LEU 42 -4.717 -2.990 -8.100 344 2HD2 LEU 42 2HD2 LEU 42 -5.143 -3.186 -9.796 345 3HD2 LEU 42 3HD2 LEU 42 -3.451 -3.046 -9.324 346 H GLY 43 H GLY 43 -7.245 -6.478 -6.003 347 1HA GLY 43 2HA GLY 43 -5.875 -7.089 -3.579 348 2HA GLY 43 1HA GLY 43 -7.636 -7.092 -3.759 349 H GLU 44 H GLU 44 -7.507 -9.142 -5.911 350 HA GLU 44 HA GLU 44 -7.643 -11.522 -4.256 351 1HB GLU 44 2HB GLU 44 -8.871 -10.890 -6.456 352 2HB GLU 44 1HB GLU 44 -7.395 -11.408 -7.270 353 1HG GLU 44 2HG GLU 44 -7.609 -13.634 -6.496 354 2HG GLU 44 1HG GLU 44 -8.776 -13.179 -5.254 355 H MET 45 H MET 45 -5.280 -10.140 -6.514 356 HA MET 45 HA MET 45 -3.434 -12.407 -6.300 357 1HB MET 45 2HB MET 45 -3.490 -9.677 -7.578 358 2HB MET 45 1HB MET 45 -1.984 -10.593 -7.522 359 1HG MET 45 2HG MET 45 -3.212 -12.527 -8.572 360 2HG MET 45 1HG MET 45 -4.599 -11.459 -8.784 361 1HE MET 45 1HE MET 45 -3.538 -8.608 -9.810 362 2HE MET 45 2HE MET 45 -4.888 -9.700 -10.107 363 3HE MET 45 3HE MET 45 -3.913 -9.127 -11.458 364 H TRP 46 H TRP 46 -3.573 -9.036 -5.093 365 HA TRP 46 HA TRP 46 -1.120 -8.848 -3.711 366 1HB TRP 46 2HB TRP 46 -2.624 -6.989 -4.007 367 2HB TRP 46 1HB TRP 46 -3.915 -7.790 -3.126 368 HD1 TRP 46 HD TRP 46 -4.136 -6.892 -0.737 369 HE1 TRP 46 1HE TRP 46 -2.521 -5.900 1.017 370 HE3 TRP 46 3HE TRP 46 0.219 -7.172 -3.332 371 HZ2 TRP 46 2HZ TRP 46 0.277 -5.306 1.267 372 HZ3 TRP 46 3HZ TRP 46 2.353 -6.392 -2.334 373 HH2 TRP 46 HH TRP 46 2.379 -5.465 -0.044 374 H SER 47 H SER 47 -4.258 -9.997 -2.371 375 HA SER 47 HA SER 47 -3.258 -10.820 0.170 376 1HB SER 47 2HB SER 47 -5.665 -10.515 -0.783 377 2HB SER 47 1HB SER 47 -5.498 -12.182 -1.326 378 HG SER 47 HG SER 47 -6.246 -11.423 1.016 379 H GLU 48 H GLU 48 -2.715 -12.200 -2.954 380 HA GLU 48 HA GLU 48 -2.107 -14.882 -1.840 381 1HB GLU 48 2HB GLU 48 -2.790 -13.653 -4.470 382 2HB GLU 48 1HB GLU 48 -1.750 -15.075 -4.500 383 1HG GLU 48 2HG GLU 48 -4.358 -14.980 -2.968 384 2HG GLU 48 1HG GLU 48 -4.241 -15.561 -4.630 385 H GLN 49 H GLN 49 -0.536 -11.919 -2.728 386 HA GLN 49 HA GLN 49 1.937 -12.911 -3.762 387 1HB GLN 49 2HB GLN 49 1.251 -10.463 -2.094 388 2HB GLN 49 1HB GLN 49 2.776 -10.683 -2.948 389 1HG GLN 49 2HG GLN 49 0.028 -10.566 -4.219 390 2HG GLN 49 1HG GLN 49 1.248 -9.301 -4.278 391 1HE2 GLN 49 1HE2 GLN 49 0.034 -10.961 -6.524 392 2HE2 GLN 49 2HE2 GLN 49 1.367 -11.648 -7.318 393 H SER 50 H SER 50 3.791 -13.607 -2.700 394 HA SER 50 HA SER 50 3.480 -14.387 0.140 395 1HB SER 50 2HB SER 50 5.416 -15.807 -0.374 396 2HB SER 50 1HB SER 50 4.226 -15.965 -1.663 397 HG SER 50 HG SER 50 5.701 -15.259 -2.966 398 H ALA 51 H ALA 51 6.787 -13.978 -0.491 399 HA ALA 51 HA ALA 51 6.765 -11.376 0.973 400 1HB ALA 51 1HB ALA 51 8.649 -13.721 0.731 401 2HB ALA 51 2HB ALA 51 7.928 -13.035 2.186 402 3HB ALA 51 3HB ALA 51 9.221 -12.173 1.353 403 H LYS 52 H LYS 52 7.210 -12.565 -2.178 404 HA LYS 52 HA LYS 52 9.462 -10.886 -2.977 405 1HB LYS 52 2HB LYS 52 8.397 -13.106 -3.964 406 2HB LYS 52 1HB LYS 52 7.383 -11.968 -4.854 407 1HG LYS 52 2HG LYS 52 9.233 -10.990 -5.949 408 2HG LYS 52 1HG LYS 52 10.382 -11.659 -4.789 409 1HD LYS 52 2HD LYS 52 10.575 -12.982 -6.784 410 2HD LYS 52 1HD LYS 52 9.701 -13.964 -5.608 411 1HE LYS 52 2HE LYS 52 7.542 -13.171 -6.648 412 2HE LYS 52 1HE LYS 52 8.508 -12.396 -7.920 413 1HZ LYS 52 1HZ LYS 52 9.573 -14.520 -8.362 414 2HZ LYS 52 2HZ LYS 52 7.890 -14.655 -8.552 415 3HZ LYS 52 3HZ LYS 52 8.641 -15.267 -7.156 416 H ASP 53 H ASP 53 5.914 -10.726 -3.297 417 HA ASP 53 HA ASP 53 6.177 -7.821 -4.009 418 1HB ASP 53 2HB ASP 53 4.722 -10.106 -5.173 419 2HB ASP 53 1HB ASP 53 3.726 -8.670 -4.944 420 H LYS 54 H LYS 54 6.132 -8.221 -1.407 421 HA LYS 54 HA LYS 54 3.615 -7.103 -0.491 422 1HB LYS 54 2HB LYS 54 3.602 -9.805 -0.879 423 2HB LYS 54 1HB LYS 54 4.098 -9.709 0.805 424 1HG LYS 54 2HG LYS 54 2.117 -8.014 1.036 425 2HG LYS 54 1HG LYS 54 1.569 -8.701 -0.486 426 1HD LYS 54 2HD LYS 54 0.466 -9.947 1.210 427 2HD LYS 54 1HD LYS 54 1.762 -10.982 0.616 428 1HE LYS 54 2HE LYS 54 2.047 -11.161 2.945 429 2HE LYS 54 1HE LYS 54 3.156 -9.830 2.560 430 1HZ LYS 54 1HZ LYS 54 1.376 -8.258 2.984 431 2HZ LYS 54 2HZ LYS 54 1.638 -9.223 4.358 432 3HZ LYS 54 3HZ LYS 54 0.305 -9.522 3.346 433 H GLN 55 H GLN 55 6.663 -8.707 0.392 434 HA GLN 55 HA GLN 55 6.709 -7.836 3.147 435 1HB GLN 55 2HB GLN 55 8.532 -9.046 1.145 436 2HB GLN 55 1HB GLN 55 9.315 -8.219 2.489 437 1HG GLN 55 2HG GLN 55 7.150 -10.318 2.809 438 2HG GLN 55 1HG GLN 55 8.878 -10.647 2.942 439 1HE2 GLN 55 1HE2 GLN 55 6.110 -9.298 4.601 440 2HE2 GLN 55 2HE2 GLN 55 6.920 -8.892 6.037 441 HA PRO 56 HA PRO 56 9.509 -4.267 1.651 442 1HB PRO 56 2HB PRO 56 9.797 -3.825 -1.031 443 2HB PRO 56 1HB PRO 56 10.865 -4.903 -0.110 444 1HG PRO 56 2HG PRO 56 8.571 -5.574 -1.883 445 2HG PRO 56 1HG PRO 56 10.125 -6.399 -1.686 446 1HD PRO 56 2HD PRO 56 7.803 -7.264 -0.560 447 2HD PRO 56 1HD PRO 56 9.409 -7.592 0.123 448 H TYR 57 H TYR 57 6.409 -5.007 0.462 449 HA TYR 57 HA TYR 57 5.772 -2.333 -0.581 450 1HB TYR 57 2HB TYR 57 4.300 -4.927 -0.094 451 2HB TYR 57 1HB TYR 57 3.464 -3.480 -0.658 452 HD1 TYR 57 1HD TYR 57 3.345 -3.067 -2.945 453 HD2 TYR 57 2HD TYR 57 6.498 -5.557 -1.437 454 HE1 TYR 57 1HE TYR 57 4.091 -3.520 -5.261 455 HE2 TYR 57 2HE TYR 57 7.247 -6.013 -3.756 456 HH TYR 57 HH TYR 57 6.583 -4.266 -6.277 457 H GLU 58 H GLU 58 4.981 -4.293 2.304 458 HA GLU 58 HA GLU 58 3.284 -2.239 3.488 459 1HB GLU 58 2HB GLU 58 3.337 -3.799 5.418 460 2HB GLU 58 1HB GLU 58 3.015 -4.645 3.908 461 1HG GLU 58 2HG GLU 58 4.734 -6.012 4.448 462 2HG GLU 58 1HG GLU 58 5.798 -4.657 4.078 463 H GLN 59 H GLN 59 6.716 -2.946 3.531 464 HA GLN 59 HA GLN 59 7.333 -1.476 5.968 465 1HB GLN 59 2HB GLN 59 8.951 -2.414 3.578 466 2HB GLN 59 1HB GLN 59 9.669 -1.709 5.027 467 1HG GLN 59 2HG GLN 59 7.792 -4.069 5.189 468 2HG GLN 59 1HG GLN 59 9.523 -4.283 4.922 469 1HE2 GLN 59 1HE2 GLN 59 7.109 -3.178 7.274 470 2HE2 GLN 59 2HE2 GLN 59 8.172 -3.112 8.596 471 H LYS 60 H LYS 60 8.330 -0.746 2.606 472 HA LYS 60 HA LYS 60 9.060 1.920 2.887 473 1HB LYS 60 2HB LYS 60 9.252 0.448 0.876 474 2HB LYS 60 1HB LYS 60 7.530 0.691 0.575 475 1HG LYS 60 2HG LYS 60 8.124 3.234 0.685 476 2HG LYS 60 1HG LYS 60 9.776 2.685 0.397 477 1HD LYS 60 2HD LYS 60 8.904 1.395 -1.595 478 2HD LYS 60 1HD LYS 60 7.356 2.207 -1.360 479 1HE LYS 60 2HE LYS 60 9.800 3.931 -1.468 480 2HE LYS 60 1HE LYS 60 9.203 3.241 -2.992 481 1HZ LYS 60 1HZ LYS 60 7.025 4.083 -2.541 482 2HZ LYS 60 2HZ LYS 60 8.121 5.373 -2.399 483 3HZ LYS 60 3HZ LYS 60 7.490 4.635 -1.005 484 H ALA 61 H ALA 61 5.775 0.649 2.879 485 HA ALA 61 HA ALA 61 4.566 3.321 2.513 486 1HB ALA 61 1HB ALA 61 3.238 0.712 3.279 487 2HB ALA 61 2HB ALA 61 3.707 1.073 1.618 488 3HB ALA 61 3HB ALA 61 2.518 2.086 2.439 489 H ALA 62 H ALA 62 5.046 0.903 5.075 490 HA ALA 62 HA ALA 62 3.505 2.124 7.140 491 1HB ALA 62 1HB ALA 62 4.362 -0.116 7.351 492 2HB ALA 62 2HB ALA 62 5.155 0.839 8.604 493 3HB ALA 62 3HB ALA 62 6.022 0.434 7.123 494 H LYS 63 H LYS 63 6.955 2.568 6.270 495 HA LYS 63 HA LYS 63 7.407 4.585 8.325 496 1HB LYS 63 2HB LYS 63 9.590 4.784 7.146 497 2HB LYS 63 1HB LYS 63 9.170 3.102 7.463 498 1HG LYS 63 2HG LYS 63 8.648 2.674 5.217 499 2HG LYS 63 1HG LYS 63 8.400 4.379 4.846 500 1HD LYS 63 2HD LYS 63 10.992 4.459 5.613 501 2HD LYS 63 1HD LYS 63 10.925 2.817 4.973 502 1HE LYS 63 2HE LYS 63 10.088 3.631 2.828 503 2HE LYS 63 1HE LYS 63 9.994 5.287 3.462 504 1HZ LYS 63 1HZ LYS 63 12.465 3.638 3.346 505 2HZ LYS 63 2HZ LYS 63 12.355 5.238 3.906 506 3HZ LYS 63 3HZ LYS 63 12.083 4.889 2.265 507 H LEU 64 H LEU 64 5.852 4.682 5.282 508 HA LEU 64 HA LEU 64 6.546 7.523 4.758 509 1HB LEU 64 2HB LEU 64 5.352 5.206 3.321 510 2HB LEU 64 1HB LEU 64 4.745 6.797 2.860 511 HG LEU 64 HG LEU 64 7.690 6.098 3.004 512 1HD1 LEU 64 1HD1 LEU 64 6.223 6.528 0.429 513 2HD1 LEU 64 2HD1 LEU 64 6.098 4.952 1.212 514 3HD1 LEU 64 3HD1 LEU 64 7.677 5.583 0.744 515 1HD2 LEU 64 1HD2 LEU 64 6.083 8.482 2.079 516 2HD2 LEU 64 2HD2 LEU 64 7.717 8.194 1.479 517 3HD2 LEU 64 3HD2 LEU 64 7.442 8.445 3.203 518 H LYS 65 H LYS 65 3.869 5.448 5.755 519 HA LYS 65 HA LYS 65 1.811 7.481 5.720 520 1HB LYS 65 2HB LYS 65 1.431 5.030 5.655 521 2HB LYS 65 1HB LYS 65 2.083 4.891 7.288 522 1HG LYS 65 2HG LYS 65 0.277 6.589 7.974 523 2HG LYS 65 1HG LYS 65 -0.462 6.261 6.406 524 1HD LYS 65 2HD LYS 65 -0.734 3.931 6.931 525 2HD LYS 65 1HD LYS 65 0.248 4.085 8.388 526 1HE LYS 65 2HE LYS 65 -1.459 5.648 9.337 527 2HE LYS 65 1HE LYS 65 -2.470 5.358 7.907 528 1HZ LYS 65 1HZ LYS 65 -1.442 3.273 9.760 529 2HZ LYS 65 2HZ LYS 65 -2.372 2.983 8.367 530 3HZ LYS 65 3HZ LYS 65 -3.045 3.820 9.684 531 H GLU 66 H GLU 66 3.631 5.978 8.417 532 HA GLU 66 HA GLU 66 2.663 7.653 10.504 533 1HB GLU 66 2HB GLU 66 3.963 5.495 10.662 534 2HB GLU 66 1HB GLU 66 5.413 6.402 10.231 535 1HG GLU 66 2HG GLU 66 5.096 7.856 12.198 536 2HG GLU 66 1HG GLU 66 3.644 6.954 12.632 537 H LYS 67 H LYS 67 5.117 8.235 8.059 538 HA LYS 67 HA LYS 67 6.285 10.554 9.431 539 1HB LYS 67 2HB LYS 67 6.608 9.040 6.875 540 2HB LYS 67 1HB LYS 67 7.225 10.692 6.926 541 1HG LYS 67 2HG LYS 67 8.236 9.869 9.246 542 2HG LYS 67 1HG LYS 67 8.110 8.289 8.470 543 1HD LYS 67 2HD LYS 67 9.407 10.657 7.108 544 2HD LYS 67 1HD LYS 67 10.318 9.537 8.122 545 1HE LYS 67 2HE LYS 67 9.855 7.689 6.675 546 2HE LYS 67 1HE LYS 67 8.605 8.598 5.803 547 1HZ LYS 67 1HZ LYS 67 10.731 8.608 4.607 548 2HZ LYS 67 2HZ LYS 67 11.478 9.347 5.943 549 3HZ LYS 67 3HZ LYS 67 10.270 10.171 5.079 550 H TYR 68 H TYR 68 3.716 9.965 7.124 551 HA TYR 68 HA TYR 68 3.520 12.616 5.984 552 1HB TYR 68 2HB TYR 68 2.544 10.382 5.203 553 2HB TYR 68 1HB TYR 68 1.310 10.592 6.439 554 HD1 TYR 68 1HD TYR 68 -0.701 11.405 5.634 555 HD2 TYR 68 2HD TYR 68 2.959 12.780 3.856 556 HE1 TYR 68 1HE TYR 68 -1.995 12.848 4.091 557 HE2 TYR 68 2HE TYR 68 1.662 14.226 2.313 558 HH TYR 68 HH TYR 68 -1.749 13.947 1.963 559 H GLU 69 H GLU 69 1.926 11.014 8.712 560 HA GLU 69 HA GLU 69 0.098 13.034 9.488 561 1HB GLU 69 2HB GLU 69 1.687 11.007 11.094 562 2HB GLU 69 1HB GLU 69 0.313 11.906 11.735 563 1HG GLU 69 2HG GLU 69 -0.986 11.004 9.690 564 2HG GLU 69 1HG GLU 69 0.341 9.854 9.524 565 H LYS 70 H LYS 70 3.560 12.713 10.162 566 HA LYS 70 HA LYS 70 3.581 15.058 11.963 567 1HB LYS 70 2HB LYS 70 5.736 13.260 10.791 568 2HB LYS 70 1HB LYS 70 6.024 14.498 12.014 569 1HG LYS 70 2HG LYS 70 4.063 13.219 13.274 570 2HG LYS 70 1HG LYS 70 4.603 11.876 12.266 571 1HD LYS 70 2HD LYS 70 6.843 12.020 13.139 572 2HD LYS 70 1HD LYS 70 6.479 13.531 13.974 573 1HE LYS 70 2HE LYS 70 4.611 12.102 15.166 574 2HE LYS 70 1HE LYS 70 5.631 10.733 14.680 575 1HZ LYS 70 1HZ LYS 70 6.614 13.160 16.084 576 2HZ LYS 70 2HZ LYS 70 7.529 11.787 15.680 577 3HZ LYS 70 3HZ LYS 70 6.295 11.677 16.842 578 H ASP 71 H ASP 71 4.487 14.123 8.696 579 HA ASP 71 HA ASP 71 5.863 16.520 7.903 580 1HB ASP 71 2HB ASP 71 4.626 14.116 6.706 581 2HB ASP 71 1HB ASP 71 4.675 15.504 5.633 582 H ILE 72 H ILE 72 2.533 15.443 7.214 583 HA ILE 72 HA ILE 72 1.580 17.886 6.105 584 HB ILE 72 HB ILE 72 0.315 15.513 7.500 585 1HG1 ILE 72 2HG1 ILE 72 1.381 15.154 5.309 586 2HG1 ILE 72 1HG1 ILE 72 -0.364 14.942 5.214 587 1HG2 ILE 72 1HG2 ILE 72 -1.038 17.955 6.349 588 2HG2 ILE 72 2HG2 ILE 72 -1.365 17.131 7.873 589 3HG2 ILE 72 3HG2 ILE 72 -1.843 16.386 6.348 590 1HD1 ILE 72 1HD1 ILE 72 1.285 17.277 4.236 591 2HD1 ILE 72 2HD1 ILE 72 -0.457 17.409 4.476 592 3HD1 ILE 72 3HD1 ILE 72 0.186 16.254 3.310 593 H ALA 73 H ALA 73 1.833 16.810 9.481 594 HA ALA 73 HA ALA 73 0.164 18.811 10.678 595 1HB ALA 73 1HB ALA 73 1.505 18.197 12.714 596 2HB ALA 73 2HB ALA 73 2.593 17.282 11.670 597 3HB ALA 73 3HB ALA 73 0.907 16.792 11.831 598 H ALA 74 H ALA 74 3.736 18.716 10.333 599 HA ALA 74 HA ALA 74 4.142 21.407 11.294 600 1HB ALA 74 1HB ALA 74 5.853 19.642 11.336 601 2HB ALA 74 2HB ALA 74 6.430 21.008 10.381 602 3HB ALA 74 3HB ALA 74 5.831 19.558 9.575 603 H TYR 75 H TYR 75 3.448 20.024 8.143 604 HA TYR 75 HA TYR 75 4.126 22.478 6.673 605 1HB TYR 75 2HB TYR 75 4.174 19.922 5.994 606 2HB TYR 75 1HB TYR 75 2.479 20.212 5.594 607 HD1 TYR 75 1HD TYR 75 1.866 21.971 3.931 608 HD2 TYR 75 2HD TYR 75 5.946 20.846 4.664 609 HE1 TYR 75 1HE TYR 75 2.550 23.072 1.816 610 HE2 TYR 75 2HE TYR 75 6.629 21.946 2.549 611 HH TYR 75 HH TYR 75 4.344 23.009 0.210 612 H ARG 76 H ARG 76 1.346 21.161 8.318 613 HA ARG 76 HA ARG 76 -0.771 22.395 6.844 614 1HB ARG 76 2HB ARG 76 -1.013 20.646 8.584 615 2HB ARG 76 1HB ARG 76 -0.517 21.807 9.813 616 1HG ARG 76 2HG ARG 76 -2.482 23.051 9.619 617 2HG ARG 76 1HG ARG 76 -2.812 22.465 7.990 618 1HD ARG 76 2HD ARG 76 -2.827 20.578 10.355 619 2HD ARG 76 1HD ARG 76 -4.277 21.487 9.881 620 HE ARG 76 HE ARG 76 -2.831 19.944 7.786 621 1HH1 ARG 76 1HH2 ARG 76 -5.711 21.331 8.121 622 2HH1 ARG 76 2HH2 ARG 76 -6.689 19.909 7.974 623 1HH2 ARG 76 1HH1 ARG 76 -4.023 17.717 8.323 624 2HH2 ARG 76 2HH1 ARG 76 -5.733 17.863 8.089 625 H ALA 77 H ALA 77 0.391 23.539 10.040 626 HA ALA 77 HA ALA 77 -0.186 26.332 9.145 627 1HB ALA 77 1HB ALA 77 -1.513 25.633 11.020 628 2HB ALA 77 2HB ALA 77 -0.258 26.686 11.672 629 3HB ALA 77 3HB ALA 77 -0.109 24.935 11.827 630 H LYS 78 H LYS 78 2.245 24.225 10.526 631 HA LYS 78 HA LYS 78 4.547 24.540 10.967 632 1HB LYS 78 2HB LYS 78 4.208 25.074 8.480 633 2HB LYS 78 1HB LYS 78 4.271 26.775 8.945 634 1HG LYS 78 2HG LYS 78 6.507 26.645 9.620 635 2HG LYS 78 1HG LYS 78 6.437 24.898 9.852 636 1HD LYS 78 2HD LYS 78 7.573 24.968 7.840 637 2HD LYS 78 1HD LYS 78 5.915 24.937 7.238 638 1HE LYS 78 2HE LYS 78 7.023 27.628 7.877 639 2HE LYS 78 1HE LYS 78 7.682 26.815 6.444 640 1HZ LYS 78 1HZ LYS 78 5.684 28.013 5.849 641 2HZ LYS 78 2HZ LYS 78 4.802 27.218 7.066 642 3HZ LYS 78 3HZ LYS 78 5.399 26.344 5.735 Start of MODEL 28 1 1H MET 1 1HT MET 1 -8.519 16.432 4.123 2 2H MET 1 2HT MET 1 -9.609 15.382 4.895 3 3H MET 1 3HT MET 1 -9.887 15.870 3.291 4 HA MET 1 HA MET 1 -7.640 14.155 4.227 5 1HB MET 1 2HB MET 1 -10.291 13.739 2.842 6 2HB MET 1 1HB MET 1 -8.990 12.559 2.692 7 1HG MET 1 2HG MET 1 -8.874 12.525 5.228 8 2HG MET 1 1HG MET 1 -10.362 13.470 5.230 9 1HE MET 1 1HE MET 1 -11.868 10.276 6.328 10 2HE MET 1 2HE MET 1 -12.524 11.859 5.918 11 3HE MET 1 3HE MET 1 -10.988 11.744 6.774 12 H LYS 2 H LYS 2 -9.451 15.145 1.291 13 HA LYS 2 HA LYS 2 -7.388 14.596 -0.584 14 1HB LYS 2 2HB LYS 2 -8.727 16.083 -2.050 15 2HB LYS 2 1HB LYS 2 -9.762 14.999 -1.124 16 1HG LYS 2 2HG LYS 2 -9.853 16.956 0.607 17 2HG LYS 2 1HG LYS 2 -9.301 17.950 -0.741 18 1HD LYS 2 2HD LYS 2 -11.236 17.541 -2.005 19 2HD LYS 2 1HD LYS 2 -11.641 16.088 -1.089 20 1HE LYS 2 2HE LYS 2 -11.530 18.649 0.444 21 2HE LYS 2 1HE LYS 2 -12.910 18.414 -0.648 22 1HZ LYS 2 1HZ LYS 2 -13.380 17.424 1.499 23 2HZ LYS 2 2HZ LYS 2 -11.960 16.494 1.415 24 3HZ LYS 2 3HZ LYS 2 -13.233 16.208 0.326 25 H LYS 3 H LYS 3 -5.841 15.990 -1.594 26 HA LYS 3 HA LYS 3 -5.327 18.629 -0.294 27 1HB LYS 3 2HB LYS 3 -3.597 16.173 -0.413 28 2HB LYS 3 1HB LYS 3 -2.834 17.763 -0.396 29 1HG LYS 3 2HG LYS 3 -4.946 17.593 1.607 30 2HG LYS 3 1HG LYS 3 -3.748 16.321 1.835 31 1HD LYS 3 2HD LYS 3 -1.951 17.926 1.939 32 2HD LYS 3 1HD LYS 3 -3.028 19.239 1.459 33 1HE LYS 3 2HE LYS 3 -3.783 17.666 3.892 34 2HE LYS 3 1HE LYS 3 -2.447 18.827 4.034 35 1HZ LYS 3 1HZ LYS 3 -4.561 19.930 4.417 36 2HZ LYS 3 2HZ LYS 3 -5.140 19.397 2.910 37 3HZ LYS 3 3HZ LYS 3 -3.853 20.503 2.986 38 H ASP 4 H ASP 4 -3.869 19.982 -1.621 39 HA ASP 4 HA ASP 4 -4.475 19.975 -4.409 40 1HB ASP 4 2HB ASP 4 -2.709 21.390 -2.500 41 2HB ASP 4 1HB ASP 4 -2.171 21.446 -4.180 42 HA PRO 5 HA PRO 5 -1.468 17.296 -6.196 43 1HB PRO 5 2HB PRO 5 -0.364 18.732 -8.249 44 2HB PRO 5 1HB PRO 5 -2.014 18.082 -8.303 45 1HG PRO 5 2HG PRO 5 -1.089 20.848 -7.704 46 2HG PRO 5 1HG PRO 5 -2.486 20.304 -8.646 47 1HD PRO 5 2HD PRO 5 -2.678 21.211 -6.091 48 2HD PRO 5 1HD PRO 5 -3.796 20.018 -6.787 49 H ASN 6 H ASN 6 -0.329 20.509 -5.317 50 HA ASN 6 HA ASN 6 2.516 19.789 -5.362 51 1HB ASN 6 2HB ASN 6 0.837 22.142 -4.483 52 2HB ASN 6 1HB ASN 6 2.575 22.097 -4.177 53 1HD2 ASN 6 1HD2 ASN 6 0.138 22.547 -6.648 54 2HD2 ASN 6 2HD2 ASN 6 1.211 22.838 -7.930 55 H ALA 7 H ALA 7 -0.110 19.802 -3.027 56 HA ALA 7 HA ALA 7 1.627 19.588 -0.673 57 1HB ALA 7 1HB ALA 7 -1.336 19.315 -1.230 58 2HB ALA 7 2HB ALA 7 -0.505 20.657 -0.444 59 3HB ALA 7 3HB ALA 7 -0.653 19.106 0.382 60 HA PRO 8 HA PRO 8 1.925 15.217 -0.705 61 1HB PRO 8 2HB PRO 8 2.304 14.708 1.939 62 2HB PRO 8 1HB PRO 8 3.546 15.347 0.854 63 1HG PRO 8 2HG PRO 8 2.088 16.694 2.974 64 2HG PRO 8 1HG PRO 8 3.562 17.123 2.118 65 1HD PRO 8 2HD PRO 8 0.957 18.210 1.730 66 2HD PRO 8 1HD PRO 8 2.470 18.644 0.910 67 H LYS 9 H LYS 9 -0.070 14.296 -1.260 68 HA LYS 9 HA LYS 9 -2.458 14.429 0.345 69 1HB LYS 9 2HB LYS 9 -1.450 12.775 -1.964 70 2HB LYS 9 1HB LYS 9 -3.014 12.417 -1.230 71 1HG LYS 9 2HG LYS 9 -3.812 14.658 -1.685 72 2HG LYS 9 1HG LYS 9 -2.217 15.156 -2.251 73 1HD LYS 9 2HD LYS 9 -3.861 12.958 -3.536 74 2HD LYS 9 1HD LYS 9 -3.818 14.623 -4.112 75 1HE LYS 9 2HE LYS 9 -2.028 13.986 -5.369 76 2HE LYS 9 1HE LYS 9 -1.113 13.936 -3.851 77 1HZ LYS 9 1HZ LYS 9 -0.976 11.784 -4.827 78 2HZ LYS 9 2HZ LYS 9 -2.653 11.723 -5.097 79 3HZ LYS 9 3HZ LYS 9 -2.041 11.663 -3.513 80 H ARG 10 H ARG 10 -3.511 12.089 0.855 81 HA ARG 10 HA ARG 10 -2.289 11.062 3.185 82 1HB ARG 10 2HB ARG 10 -4.278 9.928 1.203 83 2HB ARG 10 1HB ARG 10 -3.887 9.112 2.717 84 1HG ARG 10 2HG ARG 10 -4.381 11.817 3.402 85 2HG ARG 10 1HG ARG 10 -5.653 11.364 2.268 86 1HD ARG 10 2HD ARG 10 -4.912 9.617 4.634 87 2HD ARG 10 1HD ARG 10 -6.163 10.874 4.726 88 HE ARG 10 HE ARG 10 -7.016 9.616 2.534 89 1HH1 ARG 10 1HH2 ARG 10 -8.201 8.791 5.157 90 2HH1 ARG 10 2HH2 ARG 10 -7.934 7.079 5.154 91 1HH2 ARG 10 1HH1 ARG 10 -5.564 7.185 2.626 92 2HH2 ARG 10 2HH1 ARG 10 -6.441 6.170 3.722 93 HA PRO 11 HA PRO 11 0.871 8.443 1.526 94 1HB PRO 11 2HB PRO 11 1.285 6.792 3.662 95 2HB PRO 11 1HB PRO 11 1.839 8.476 3.624 96 1HG PRO 11 2HG PRO 11 -0.507 7.287 4.996 97 2HG PRO 11 1HG PRO 11 0.546 8.615 5.502 98 1HD PRO 11 2HD PRO 11 -1.968 8.932 4.423 99 2HD PRO 11 1HD PRO 11 -0.699 10.175 4.418 100 HA PRO 12 HA PRO 12 -0.989 4.691 0.119 101 1HB PRO 12 2HB PRO 12 1.109 2.923 0.071 102 2HB PRO 12 1HB PRO 12 0.922 4.236 -1.105 103 1HG PRO 12 2HG PRO 12 2.657 4.092 1.308 104 2HG PRO 12 1HG PRO 12 2.999 4.773 -0.288 105 1HD PRO 12 2HD PRO 12 2.354 6.289 1.871 106 2HD PRO 12 1HD PRO 12 1.984 6.765 0.199 107 H SER 13 H SER 13 -0.413 1.997 0.851 108 HA SER 13 HA SER 13 -0.266 1.659 3.731 109 1HB SER 13 2HB SER 13 -2.419 2.773 3.631 110 2HB SER 13 1HB SER 13 -2.967 1.687 2.357 111 HG SER 13 HG SER 13 -2.536 1.192 5.094 112 H ALA 14 H ALA 14 1.057 0.241 1.688 113 HA ALA 14 HA ALA 14 1.589 -1.982 1.175 114 1HB ALA 14 1HB ALA 14 0.933 -3.536 2.710 115 2HB ALA 14 2HB ALA 14 -0.779 -3.185 2.466 116 3HB ALA 14 3HB ALA 14 0.184 -2.174 3.542 117 H PHE 15 H PHE 15 -2.007 -2.089 1.332 118 HA PHE 15 HA PHE 15 -2.318 -3.441 -1.154 119 1HB PHE 15 2HB PHE 15 -4.037 -3.214 0.622 120 2HB PHE 15 1HB PHE 15 -4.174 -1.493 0.261 121 HD1 PHE 15 1HD PHE 15 -4.016 -4.642 -1.788 122 HD2 PHE 15 2HD PHE 15 -6.088 -0.972 -0.959 123 HE1 PHE 15 1HE PHE 15 -5.626 -5.141 -3.606 124 HE2 PHE 15 2HE PHE 15 -7.701 -1.473 -2.776 125 HZ PHE 15 HZ PHE 15 -7.469 -3.557 -4.103 126 H PHE 16 H PHE 16 -1.739 -0.054 -0.443 127 HA PHE 16 HA PHE 16 -2.645 0.975 -3.005 128 1HB PHE 16 2HB PHE 16 -2.338 2.176 -0.743 129 2HB PHE 16 1HB PHE 16 -0.616 2.208 -1.125 130 HD1 PHE 16 1HD PHE 16 0.240 3.527 -3.008 131 HD2 PHE 16 2HD PHE 16 -3.943 3.493 -2.025 132 HE1 PHE 16 1HE PHE 16 -0.117 5.511 -4.454 133 HE2 PHE 16 2HE PHE 16 -4.298 5.477 -3.471 134 HZ PHE 16 HZ PHE 16 -2.385 6.485 -4.685 135 H LEU 17 H LEU 17 0.465 -0.172 -1.714 136 HA LEU 17 HA LEU 17 2.121 0.678 -3.915 137 1HB LEU 17 2HB LEU 17 2.199 -1.456 -1.783 138 2HB LEU 17 1HB LEU 17 3.431 -1.449 -3.040 139 HG LEU 17 HG LEU 17 4.178 -0.206 -1.036 140 1HD1 LEU 17 1HD1 LEU 17 5.049 1.666 -2.184 141 2HD1 LEU 17 2HD1 LEU 17 3.632 1.792 -3.227 142 3HD1 LEU 17 3HD1 LEU 17 4.773 0.465 -3.446 143 1HD2 LEU 17 1HD2 LEU 17 1.889 1.682 -1.674 144 2HD2 LEU 17 2HD2 LEU 17 3.072 1.870 -0.381 145 3HD2 LEU 17 3HD2 LEU 17 1.904 0.549 -0.322 146 H PHE 18 H PHE 18 1.358 -2.701 -3.257 147 HA PHE 18 HA PHE 18 1.583 -4.003 -5.626 148 1HB PHE 18 2HB PHE 18 0.765 -5.017 -3.570 149 2HB PHE 18 1HB PHE 18 -0.748 -4.127 -3.687 150 HD1 PHE 18 1HD PHE 18 1.314 -6.776 -5.303 151 HD2 PHE 18 2HD PHE 18 -2.548 -4.915 -5.032 152 HE1 PHE 18 1HE PHE 18 0.330 -8.620 -6.640 153 HE2 PHE 18 2HE PHE 18 -3.530 -6.757 -6.370 154 HZ PHE 18 HZ PHE 18 -2.095 -8.613 -7.170 155 H CYS 19 H CYS 19 -1.532 -2.320 -4.831 156 HA CYS 19 HA CYS 19 -2.665 -2.645 -7.430 157 1HB CYS 19 2HB CYS 19 -3.877 -2.095 -5.329 158 2HB CYS 19 1HB CYS 19 -3.124 -0.502 -5.330 159 HG CYS 19 HG CYS 19 -5.439 -0.244 -6.508 160 H SER 20 H SER 20 -0.855 0.092 -6.004 161 HA SER 20 HA SER 20 -1.059 1.918 -8.159 162 1HB SER 20 2HB SER 20 0.980 1.362 -6.014 163 2HB SER 20 1HB SER 20 1.249 2.649 -7.185 164 HG SER 20 HG SER 20 -0.783 2.362 -5.254 165 H GLU 21 H GLU 21 1.111 -0.866 -7.753 166 HA GLU 21 HA GLU 21 2.638 -0.141 -10.177 167 1HB GLU 21 2HB GLU 21 3.958 -2.138 -9.542 168 2HB GLU 21 1HB GLU 21 3.750 -1.043 -8.177 169 1HG GLU 21 2HG GLU 21 2.162 -2.443 -7.140 170 2HG GLU 21 1HG GLU 21 1.835 -3.328 -8.630 171 H HIS 22 H HIS 22 -0.011 -2.309 -9.279 172 HA HIS 22 HA HIS 22 0.251 -3.930 -11.720 173 1HB HIS 22 2HB HIS 22 -1.414 -3.807 -9.245 174 2HB HIS 22 1HB HIS 22 -2.115 -4.616 -10.646 175 HD1 HIS 22 1HD HIS 22 -0.690 -6.639 -11.665 176 HD2 HIS 22 2HD HIS 22 0.575 -5.273 -7.936 177 HE1 HIS 22 1HE HIS 22 0.837 -8.429 -10.726 178 H ARG 23 H ARG 23 -1.839 -1.335 -10.472 179 HA ARG 23 HA ARG 23 -3.958 -1.214 -12.197 180 1HB ARG 23 2HB ARG 23 -3.050 0.377 -10.329 181 2HB ARG 23 1HB ARG 23 -2.370 1.280 -11.678 182 1HG ARG 23 2HG ARG 23 -4.789 1.030 -12.689 183 2HG ARG 23 1HG ARG 23 -5.246 0.778 -11.003 184 1HD ARG 23 2HD ARG 23 -3.578 3.146 -11.910 185 2HD ARG 23 1HD ARG 23 -5.345 3.203 -11.756 186 HE ARG 23 HE ARG 23 -3.524 2.516 -9.477 187 1HH1 ARG 23 1HH2 ARG 23 -4.948 5.250 -10.083 188 2HH1 ARG 23 2HH2 ARG 23 -6.217 5.176 -8.905 189 1HH2 ARG 23 1HH1 ARG 23 -5.791 1.795 -8.267 190 2HH2 ARG 23 2HH1 ARG 23 -6.694 3.220 -7.877 191 HA PRO 24 HA PRO 24 -1.539 0.973 -15.719 192 1HB PRO 24 2HB PRO 24 1.190 0.731 -15.755 193 2HB PRO 24 1HB PRO 24 0.349 2.100 -15.000 194 1HG PRO 24 2HG PRO 24 1.504 -0.339 -13.734 195 2HG PRO 24 1HG PRO 24 1.555 1.345 -13.190 196 1HD PRO 24 2HD PRO 24 -0.140 -0.459 -12.137 197 2HD PRO 24 1HD PRO 24 -0.549 1.260 -12.281 198 H LYS 25 H LYS 25 -0.482 -2.049 -14.300 199 HA LYS 25 HA LYS 25 0.348 -3.302 -16.808 200 1HB LYS 25 2HB LYS 25 1.173 -3.889 -14.510 201 2HB LYS 25 1HB LYS 25 -0.438 -4.498 -14.128 202 1HG LYS 25 2HG LYS 25 -0.273 -6.136 -15.949 203 2HG LYS 25 1HG LYS 25 1.319 -5.512 -16.382 204 1HD LYS 25 2HD LYS 25 0.737 -6.514 -13.596 205 2HD LYS 25 1HD LYS 25 1.232 -7.617 -14.880 206 1HE LYS 25 2HE LYS 25 3.370 -7.069 -14.313 207 2HE LYS 25 1HE LYS 25 3.056 -5.504 -15.087 208 1HZ LYS 25 1HZ LYS 25 2.627 -6.227 -12.241 209 2HZ LYS 25 2HZ LYS 25 2.006 -4.811 -12.944 210 3HZ LYS 25 3HZ LYS 25 3.685 -5.053 -12.857 211 H ILE 26 H ILE 26 -2.591 -3.241 -14.794 212 HA ILE 26 HA ILE 26 -4.046 -5.223 -16.324 213 HB ILE 26 HB ILE 26 -5.006 -2.949 -14.550 214 1HG1 ILE 26 2HG1 ILE 26 -3.421 -4.405 -13.373 215 2HG1 ILE 26 1HG1 ILE 26 -5.048 -4.681 -12.770 216 1HG2 ILE 26 1HG2 ILE 26 -6.338 -5.301 -15.828 217 2HG2 ILE 26 2HG2 ILE 26 -6.970 -3.684 -15.517 218 3HG2 ILE 26 3HG2 ILE 26 -6.844 -4.850 -14.199 219 1HD1 ILE 26 1HD1 ILE 26 -4.075 -6.848 -13.081 220 2HD1 ILE 26 2HD1 ILE 26 -3.476 -6.420 -14.683 221 3HD1 ILE 26 3HD1 ILE 26 -5.207 -6.619 -14.414 222 H LYS 27 H LYS 27 -3.144 -1.996 -17.055 223 HA LYS 27 HA LYS 27 -5.498 -1.313 -18.664 224 1HB LYS 27 2HB LYS 27 -2.811 -0.154 -17.994 225 2HB LYS 27 1HB LYS 27 -3.705 0.494 -19.370 226 1HG LYS 27 2HG LYS 27 -5.683 0.821 -17.881 227 2HG LYS 27 1HG LYS 27 -4.699 0.293 -16.516 228 1HD LYS 27 2HD LYS 27 -3.310 2.183 -16.619 229 2HD LYS 27 1HD LYS 27 -3.760 2.538 -18.288 230 1HE LYS 27 2HE LYS 27 -5.875 3.406 -17.659 231 2HE LYS 27 1HE LYS 27 -5.800 2.651 -16.054 232 1HZ LYS 27 1HZ LYS 27 -4.067 4.833 -17.086 233 2HZ LYS 27 2HZ LYS 27 -3.787 4.008 -15.627 234 3HZ LYS 27 3HZ LYS 27 -5.194 4.940 -15.823 235 H SER 28 H SER 28 -2.484 -3.014 -19.143 236 HA SER 28 HA SER 28 -2.332 -2.674 -22.030 237 1HB SER 28 2HB SER 28 -1.037 -4.296 -19.879 238 2HB SER 28 1HB SER 28 -0.863 -4.864 -21.537 239 HG SER 28 HG SER 28 0.350 -2.807 -20.292 240 H GLU 29 H GLU 29 -3.418 -5.338 -19.890 241 HA GLU 29 HA GLU 29 -4.464 -6.890 -22.160 242 1HB GLU 29 2HB GLU 29 -4.374 -7.174 -19.152 243 2HB GLU 29 1HB GLU 29 -5.213 -8.344 -20.171 244 1HG GLU 29 2HG GLU 29 -2.349 -7.549 -20.701 245 2HG GLU 29 1HG GLU 29 -2.757 -8.859 -19.591 246 H HIS 30 H HIS 30 -5.635 -4.181 -20.670 247 HA HIS 30 HA HIS 30 -8.422 -4.824 -21.412 248 1HB HIS 30 2HB HIS 30 -7.626 -3.871 -18.637 249 2HB HIS 30 1HB HIS 30 -9.270 -4.109 -19.206 250 HD1 HIS 30 1HD HIS 30 -10.167 -6.509 -19.312 251 HD2 HIS 30 2HD HIS 30 -6.155 -6.309 -18.214 252 HE1 HIS 30 1HE HIS 30 -9.536 -8.820 -18.489 253 HA PRO 31 HA PRO 31 -6.916 -0.585 -22.478 254 1HB PRO 31 2HB PRO 31 -8.302 -0.451 -24.850 255 2HB PRO 31 1HB PRO 31 -6.680 -1.161 -24.708 256 1HG PRO 31 2HG PRO 31 -9.339 -2.523 -24.756 257 2HG PRO 31 1HG PRO 31 -7.836 -2.960 -25.590 258 1HD PRO 31 2HD PRO 31 -8.608 -4.214 -23.341 259 2HD PRO 31 1HD PRO 31 -6.893 -3.892 -23.688 260 H GLY 32 H GLY 32 -8.333 -0.109 -20.592 261 1HA GLY 32 2HA GLY 32 -10.044 1.719 -20.318 262 2HA GLY 32 1HA GLY 32 -11.058 0.792 -21.428 263 H LEU 33 H LEU 33 -9.197 0.139 -18.405 264 HA LEU 33 HA LEU 33 -11.487 -1.524 -17.442 265 1HB LEU 33 2HB LEU 33 -8.870 -2.168 -17.783 266 2HB LEU 33 1HB LEU 33 -8.779 -1.480 -16.167 267 HG LEU 33 HG LEU 33 -9.133 -3.951 -16.166 268 1HD1 LEU 33 1HD1 LEU 33 -10.169 -2.114 -14.503 269 2HD1 LEU 33 2HD1 LEU 33 -10.407 -3.847 -14.287 270 3HD1 LEU 33 3HD1 LEU 33 -11.662 -2.876 -15.052 271 1HD2 LEU 33 1HD2 LEU 33 -10.889 -3.502 -18.224 272 2HD2 LEU 33 2HD2 LEU 33 -11.994 -3.703 -16.866 273 3HD2 LEU 33 3HD2 LEU 33 -10.843 -4.979 -17.263 274 H SER 34 H SER 34 -12.263 -0.988 -15.217 275 HA SER 34 HA SER 34 -11.503 1.778 -14.396 276 1HB SER 34 2HB SER 34 -13.716 1.549 -13.170 277 2HB SER 34 1HB SER 34 -13.839 1.431 -14.922 278 HG SER 34 HG SER 34 -14.483 -0.556 -14.704 279 H ILE 35 H ILE 35 -12.365 1.647 -11.745 280 HA ILE 35 HA ILE 35 -10.196 0.063 -10.497 281 HB ILE 35 HB ILE 35 -12.197 2.064 -9.391 282 1HG1 ILE 35 2HG1 ILE 35 -10.737 3.053 -11.119 283 2HG1 ILE 35 1HG1 ILE 35 -10.320 3.673 -9.524 284 1HG2 ILE 35 1HG2 ILE 35 -11.400 0.940 -7.507 285 2HG2 ILE 35 2HG2 ILE 35 -10.233 2.253 -7.659 286 3HG2 ILE 35 3HG2 ILE 35 -9.821 0.636 -8.232 287 1HD1 ILE 35 1HD1 ILE 35 -8.482 1.991 -9.385 288 2HD1 ILE 35 2HD1 ILE 35 -8.274 3.102 -10.739 289 3HD1 ILE 35 3HD1 ILE 35 -8.872 1.467 -11.024 290 H GLY 36 H GLY 36 -13.027 -0.970 -11.526 291 1HA GLY 36 2HA GLY 36 -14.019 -2.145 -8.989 292 2HA GLY 36 1HA GLY 36 -14.863 -2.182 -10.538 293 H ASP 37 H ASP 37 -13.549 -3.404 -12.307 294 HA ASP 37 HA ASP 37 -13.235 -6.136 -11.495 295 1HB ASP 37 2HB ASP 37 -12.470 -4.522 -13.940 296 2HB ASP 37 1HB ASP 37 -12.207 -6.264 -13.853 297 H THR 38 H THR 38 -10.806 -3.658 -12.388 298 HA THR 38 HA THR 38 -8.489 -5.267 -11.991 299 HB THR 38 HB THR 38 -9.102 -2.300 -11.922 300 HG1 THR 38 1HG THR 38 -8.140 -2.394 -13.911 301 1HG2 THR 38 1HG2 THR 38 -7.120 -2.678 -10.464 302 2HG2 THR 38 2HG2 THR 38 -6.688 -1.841 -11.955 303 3HG2 THR 38 3HG2 THR 38 -6.344 -3.561 -11.778 304 H ALA 39 H ALA 39 -10.390 -3.313 -9.692 305 HA ALA 39 HA ALA 39 -8.567 -3.617 -7.453 306 1HB ALA 39 1HB ALA 39 -10.243 -1.832 -7.625 307 2HB ALA 39 2HB ALA 39 -10.567 -2.806 -6.192 308 3HB ALA 39 3HB ALA 39 -11.541 -3.025 -7.646 309 H LYS 40 H LYS 40 -11.337 -5.465 -8.667 310 HA LYS 40 HA LYS 40 -11.536 -7.246 -6.378 311 1HB LYS 40 2HB LYS 40 -12.526 -7.203 -9.232 312 2HB LYS 40 1HB LYS 40 -12.843 -8.586 -8.185 313 1HG LYS 40 2HG LYS 40 -13.925 -7.114 -6.539 314 2HG LYS 40 1HG LYS 40 -13.581 -5.713 -7.553 315 1HD LYS 40 2HD LYS 40 -14.942 -6.709 -9.370 316 2HD LYS 40 1HD LYS 40 -15.316 -8.079 -8.323 317 1HE LYS 40 2HE LYS 40 -16.230 -6.358 -6.644 318 2HE LYS 40 1HE LYS 40 -16.157 -5.190 -7.979 319 1HZ LYS 40 1HZ LYS 40 -18.302 -6.346 -7.911 320 2HZ LYS 40 2HZ LYS 40 -17.508 -7.837 -8.088 321 3HZ LYS 40 3HZ LYS 40 -17.457 -6.690 -9.340 322 H LYS 41 H LYS 41 -9.782 -7.263 -9.433 323 HA LYS 41 HA LYS 41 -8.818 -10.023 -9.123 324 1HB LYS 41 2HB LYS 41 -9.335 -8.649 -11.264 325 2HB LYS 41 1HB LYS 41 -7.759 -7.902 -10.991 326 1HG LYS 41 2HG LYS 41 -6.894 -10.351 -10.784 327 2HG LYS 41 1HG LYS 41 -8.396 -10.779 -11.605 328 1HD LYS 41 2HD LYS 41 -6.641 -8.601 -12.712 329 2HD LYS 41 1HD LYS 41 -6.272 -10.293 -13.047 330 1HE LYS 41 2HE LYS 41 -8.291 -10.630 -14.223 331 2HE LYS 41 1HE LYS 41 -9.055 -9.202 -13.497 332 1HZ LYS 41 1HZ LYS 41 -8.291 -8.710 -15.738 333 2HZ LYS 41 2HZ LYS 41 -6.711 -9.179 -15.327 334 3HZ LYS 41 3HZ LYS 41 -7.410 -7.809 -14.603 335 H LEU 42 H LEU 42 -7.752 -6.822 -8.207 336 HA LEU 42 HA LEU 42 -4.929 -7.554 -7.878 337 1HB LEU 42 2HB LEU 42 -6.692 -5.201 -7.680 338 2HB LEU 42 1HB LEU 42 -5.378 -5.204 -6.510 339 HG LEU 42 HG LEU 42 -3.765 -5.612 -8.358 340 1HD1 LEU 42 1HD1 LEU 42 -5.874 -4.855 -10.339 341 2HD1 LEU 42 2HD1 LEU 42 -5.797 -6.536 -9.818 342 3HD1 LEU 42 3HD1 LEU 42 -4.396 -5.785 -10.578 343 1HD2 LEU 42 1HD2 LEU 42 -3.719 -3.354 -9.066 344 2HD2 LEU 42 2HD2 LEU 42 -4.543 -3.312 -7.508 345 3HD2 LEU 42 3HD2 LEU 42 -5.476 -3.213 -9.001 346 H GLY 43 H GLY 43 -7.401 -6.387 -5.551 347 1HA GLY 43 2HA GLY 43 -6.047 -7.045 -3.184 348 2HA GLY 43 1HA GLY 43 -7.809 -7.006 -3.315 349 H GLU 44 H GLU 44 -7.817 -9.140 -5.374 350 HA GLU 44 HA GLU 44 -7.943 -11.451 -3.615 351 1HB GLU 44 2HB GLU 44 -9.321 -10.940 -5.708 352 2HB GLU 44 1HB GLU 44 -7.888 -11.354 -6.650 353 1HG GLU 44 2HG GLU 44 -9.052 -13.391 -6.567 354 2HG GLU 44 1HG GLU 44 -7.894 -13.553 -5.247 355 H MET 45 H MET 45 -5.659 -10.195 -6.017 356 HA MET 45 HA MET 45 -3.863 -12.506 -5.841 357 1HB MET 45 2HB MET 45 -3.971 -9.829 -7.201 358 2HB MET 45 1HB MET 45 -2.429 -10.683 -7.128 359 1HG MET 45 2HG MET 45 -3.805 -12.733 -7.980 360 2HG MET 45 1HG MET 45 -4.985 -11.520 -8.476 361 1HE MET 45 1HE MET 45 -3.508 -9.499 -11.164 362 2HE MET 45 2HE MET 45 -4.435 -9.451 -9.667 363 3HE MET 45 3HE MET 45 -4.879 -10.592 -10.934 364 H TRP 46 H TRP 46 -3.925 -9.141 -4.636 365 HA TRP 46 HA TRP 46 -1.395 -8.943 -3.403 366 1HB TRP 46 2HB TRP 46 -2.985 -7.113 -3.601 367 2HB TRP 46 1HB TRP 46 -4.139 -7.935 -2.561 368 HD1 TRP 46 HD TRP 46 -4.146 -6.866 -0.250 369 HE1 TRP 46 1HE TRP 46 -2.375 -5.856 1.330 370 HE3 TRP 46 3HE TRP 46 0.004 -7.417 -3.140 371 HZ2 TRP 46 2HZ TRP 46 0.445 -5.350 1.352 372 HZ3 TRP 46 3HZ TRP 46 2.223 -6.666 -2.329 373 HH2 TRP 46 HH TRP 46 2.444 -5.636 -0.091 374 H SER 47 H SER 47 -4.423 -10.248 -1.982 375 HA SER 47 HA SER 47 -3.269 -11.040 0.528 376 1HB SER 47 2HB SER 47 -5.738 -10.753 -0.324 377 2HB SER 47 1HB SER 47 -5.576 -12.439 -0.812 378 HG SER 47 HG SER 47 -6.386 -12.045 1.374 379 H GLU 48 H GLU 48 -2.796 -12.328 -2.617 380 HA GLU 48 HA GLU 48 -2.116 -15.029 -1.581 381 1HB GLU 48 2HB GLU 48 -2.918 -13.806 -4.208 382 2HB GLU 48 1HB GLU 48 -2.021 -15.325 -4.202 383 1HG GLU 48 2HG GLU 48 -3.790 -16.098 -2.452 384 2HG GLU 48 1HG GLU 48 -4.747 -14.748 -3.063 385 H GLN 49 H GLN 49 -0.681 -12.033 -2.577 386 HA GLN 49 HA GLN 49 1.710 -12.955 -3.826 387 1HB GLN 49 2HB GLN 49 1.121 -10.566 -2.040 388 2HB GLN 49 1HB GLN 49 2.580 -10.734 -3.013 389 1HG GLN 49 2HG GLN 49 -0.256 -10.650 -4.075 390 2HG GLN 49 1HG GLN 49 0.918 -9.346 -4.176 391 1HE2 GLN 49 1HE2 GLN 49 -0.403 -10.970 -6.386 392 2HE2 GLN 49 2HE2 GLN 49 0.888 -11.589 -7.295 393 H SER 50 H SER 50 3.683 -13.590 -2.933 394 HA SER 50 HA SER 50 3.632 -14.508 -0.116 395 1HB SER 50 2HB SER 50 5.567 -15.804 -0.826 396 2HB SER 50 1HB SER 50 4.347 -15.926 -2.092 397 HG SER 50 HG SER 50 6.810 -15.106 -2.347 398 H ALA 51 H ALA 51 6.603 -14.274 0.070 399 HA ALA 51 HA ALA 51 6.723 -11.551 1.117 400 1HB ALA 51 1HB ALA 51 9.155 -12.355 1.521 401 2HB ALA 51 2HB ALA 51 8.610 -13.900 0.868 402 3HB ALA 51 3HB ALA 51 7.864 -13.246 2.327 403 H LYS 52 H LYS 52 7.160 -12.823 -2.017 404 HA LYS 52 HA LYS 52 9.392 -11.135 -2.857 405 1HB LYS 52 2HB LYS 52 8.398 -13.402 -3.779 406 2HB LYS 52 1HB LYS 52 7.328 -12.332 -4.687 407 1HG LYS 52 2HG LYS 52 9.260 -11.176 -5.653 408 2HG LYS 52 1HG LYS 52 10.358 -12.177 -4.701 409 1HD LYS 52 2HD LYS 52 9.829 -14.127 -5.919 410 2HD LYS 52 1HD LYS 52 8.345 -13.427 -6.566 411 1HE LYS 52 2HE LYS 52 9.625 -11.887 -7.967 412 2HE LYS 52 1HE LYS 52 11.145 -12.462 -7.254 413 1HZ LYS 52 1HZ LYS 52 9.171 -14.156 -8.691 414 2HZ LYS 52 2HZ LYS 52 10.630 -14.693 -8.007 415 3HZ LYS 52 3HZ LYS 52 10.650 -13.626 -9.329 416 H ASP 53 H ASP 53 5.840 -11.052 -3.218 417 HA ASP 53 HA ASP 53 6.061 -8.174 -4.047 418 1HB ASP 53 2HB ASP 53 4.574 -10.527 -5.046 419 2HB ASP 53 1HB ASP 53 3.612 -9.056 -4.907 420 H LYS 54 H LYS 54 6.063 -8.465 -1.420 421 HA LYS 54 HA LYS 54 3.554 -7.317 -0.526 422 1HB LYS 54 2HB LYS 54 3.554 -10.025 -0.777 423 2HB LYS 54 1HB LYS 54 4.092 -9.852 0.888 424 1HG LYS 54 2HG LYS 54 2.108 -8.205 1.145 425 2HG LYS 54 1HG LYS 54 1.535 -8.865 -0.381 426 1HD LYS 54 2HD LYS 54 0.480 -10.069 1.450 427 2HD LYS 54 1HD LYS 54 1.598 -11.145 0.611 428 1HE LYS 54 2HE LYS 54 3.071 -11.226 2.392 429 2HE LYS 54 1HE LYS 54 2.682 -9.576 2.918 430 1HZ LYS 54 1HZ LYS 54 1.658 -11.071 4.446 431 2HZ LYS 54 2HZ LYS 54 0.982 -11.995 3.192 432 3HZ LYS 54 3HZ LYS 54 0.426 -10.417 3.483 433 H GLN 55 H GLN 55 6.662 -8.791 0.355 434 HA GLN 55 HA GLN 55 6.705 -7.705 3.056 435 1HB GLN 55 2HB GLN 55 8.512 -9.172 1.194 436 2HB GLN 55 1HB GLN 55 9.265 -8.326 2.544 437 1HG GLN 55 2HG GLN 55 6.936 -10.239 2.856 438 2HG GLN 55 1HG GLN 55 8.624 -10.716 3.049 439 1HE2 GLN 55 1HE2 GLN 55 5.954 -9.636 4.788 440 2HE2 GLN 55 2HE2 GLN 55 6.760 -9.005 6.142 441 HA PRO 56 HA PRO 56 9.712 -4.497 1.194 442 1HB PRO 56 2HB PRO 56 9.860 -4.224 -1.523 443 2HB PRO 56 1HB PRO 56 10.908 -5.320 -0.599 444 1HG PRO 56 2HG PRO 56 8.485 -5.926 -2.210 445 2HG PRO 56 1HG PRO 56 9.979 -6.855 -2.023 446 1HD PRO 56 2HD PRO 56 7.644 -7.447 -0.745 447 2HD PRO 56 1HD PRO 56 9.248 -7.891 -0.126 448 H TYR 57 H TYR 57 6.516 -5.082 0.061 449 HA TYR 57 HA TYR 57 6.057 -2.322 -0.879 450 1HB TYR 57 2HB TYR 57 4.452 -4.865 -0.612 451 2HB TYR 57 1HB TYR 57 3.670 -3.337 -1.023 452 HD1 TYR 57 1HD TYR 57 5.410 -1.950 -2.789 453 HD2 TYR 57 2HD TYR 57 4.758 -6.186 -2.506 454 HE1 TYR 57 1HE TYR 57 6.135 -2.218 -5.145 455 HE2 TYR 57 2HE TYR 57 5.483 -6.453 -4.862 456 HH TYR 57 HH TYR 57 7.163 -4.830 -6.463 457 H GLU 58 H GLU 58 5.359 -4.340 1.960 458 HA GLU 58 HA GLU 58 3.637 -2.337 3.217 459 1HB GLU 58 2HB GLU 58 3.771 -3.922 5.128 460 2HB GLU 58 1HB GLU 58 3.388 -4.748 3.620 461 1HG GLU 58 2HG GLU 58 5.291 -5.966 3.687 462 2HG GLU 58 1HG GLU 58 6.272 -4.555 4.064 463 H GLN 59 H GLN 59 7.076 -2.985 3.097 464 HA GLN 59 HA GLN 59 7.683 -1.351 5.482 465 1HB GLN 59 2HB GLN 59 9.348 -2.718 3.349 466 2HB GLN 59 1HB GLN 59 10.026 -1.906 4.759 467 1HG GLN 59 2HG GLN 59 9.020 -3.452 6.265 468 2HG GLN 59 1HG GLN 59 7.960 -4.096 5.012 469 1HE2 GLN 59 1HE2 GLN 59 8.679 -6.227 4.706 470 2HE2 GLN 59 2HE2 GLN 59 10.294 -6.661 4.413 471 H LYS 60 H LYS 60 6.956 -0.722 2.220 472 HA LYS 60 HA LYS 60 8.696 1.688 2.046 473 1HB LYS 60 2HB LYS 60 8.122 -0.195 0.232 474 2HB LYS 60 1HB LYS 60 6.726 0.846 -0.049 475 1HG LYS 60 2HG LYS 60 8.532 2.765 -0.076 476 2HG LYS 60 1HG LYS 60 9.641 1.442 -0.443 477 1HD LYS 60 2HD LYS 60 8.257 0.788 -2.363 478 2HD LYS 60 1HD LYS 60 7.105 2.070 -1.986 479 1HE LYS 60 2HE LYS 60 8.499 3.003 -3.683 480 2HE LYS 60 1HE LYS 60 9.150 3.672 -2.174 481 1HZ LYS 60 1HZ LYS 60 10.105 1.186 -3.493 482 2HZ LYS 60 2HZ LYS 60 10.737 1.870 -2.073 483 3HZ LYS 60 3HZ LYS 60 10.900 2.682 -3.556 484 H ALA 61 H ALA 61 5.358 0.643 2.401 485 HA ALA 61 HA ALA 61 4.290 3.398 2.197 486 1HB ALA 61 1HB ALA 61 2.243 2.291 1.985 487 2HB ALA 61 2HB ALA 61 2.734 0.980 3.055 488 3HB ALA 61 3HB ALA 61 3.335 1.038 1.399 489 H ALA 62 H ALA 62 4.992 0.889 4.570 490 HA ALA 62 HA ALA 62 3.602 2.041 6.811 491 1HB ALA 62 1HB ALA 62 4.312 -0.279 6.762 492 2HB ALA 62 2HB ALA 62 5.164 0.519 8.084 493 3HB ALA 62 3HB ALA 62 5.998 0.196 6.564 494 H LYS 63 H LYS 63 7.040 2.360 5.714 495 HA LYS 63 HA LYS 63 7.684 4.167 7.925 496 1HB LYS 63 2HB LYS 63 9.214 2.532 6.716 497 2HB LYS 63 1HB LYS 63 9.177 3.636 5.341 498 1HG LYS 63 2HG LYS 63 10.292 5.338 6.515 499 2HG LYS 63 1HG LYS 63 9.887 4.648 8.087 500 1HD LYS 63 2HD LYS 63 11.637 3.164 6.126 501 2HD LYS 63 1HD LYS 63 12.312 4.341 7.254 502 1HE LYS 63 2HE LYS 63 10.992 3.004 9.075 503 2HE LYS 63 1HE LYS 63 10.970 1.712 7.860 504 1HZ LYS 63 1HZ LYS 63 12.976 1.656 9.281 505 2HZ LYS 63 2HZ LYS 63 13.407 3.192 8.696 506 3HZ LYS 63 3HZ LYS 63 13.339 1.864 7.636 507 H LEU 64 H LEU 64 6.020 4.568 4.976 508 HA LEU 64 HA LEU 64 6.912 7.379 4.591 509 1HB LEU 64 2HB LEU 64 5.519 5.244 3.044 510 2HB LEU 64 1HB LEU 64 5.060 6.907 2.677 511 HG LEU 64 HG LEU 64 7.921 5.905 2.735 512 1HD1 LEU 64 1HD1 LEU 64 7.813 5.490 0.479 513 2HD1 LEU 64 2HD1 LEU 64 6.587 6.727 0.204 514 3HD1 LEU 64 3HD1 LEU 64 6.125 5.159 0.868 515 1HD2 LEU 64 1HD2 LEU 64 8.122 8.114 1.349 516 2HD2 LEU 64 2HD2 LEU 64 7.990 8.226 3.104 517 3HD2 LEU 64 3HD2 LEU 64 6.576 8.524 2.093 518 H LYS 65 H LYS 65 4.201 5.447 5.713 519 HA LYS 65 HA LYS 65 2.217 7.556 5.724 520 1HB LYS 65 2HB LYS 65 1.702 5.144 5.685 521 2HB LYS 65 1HB LYS 65 2.473 4.941 7.258 522 1HG LYS 65 2HG LYS 65 0.787 6.193 8.367 523 2HG LYS 65 1HG LYS 65 0.187 6.878 6.856 524 1HD LYS 65 2HD LYS 65 -0.416 4.504 6.160 525 2HD LYS 65 1HD LYS 65 -0.082 4.024 7.824 526 1HE LYS 65 2HE LYS 65 -1.846 5.389 8.682 527 2HE LYS 65 1HE LYS 65 -2.017 6.258 7.144 528 1HZ LYS 65 1HZ LYS 65 -2.474 3.348 7.546 529 2HZ LYS 65 2HZ LYS 65 -2.621 4.180 6.072 530 3HZ LYS 65 3HZ LYS 65 -3.690 4.513 7.348 531 H GLU 66 H GLU 66 4.253 6.087 8.276 532 HA GLU 66 HA GLU 66 3.410 7.693 10.463 533 1HB GLU 66 2HB GLU 66 5.964 6.269 9.708 534 2HB GLU 66 1HB GLU 66 5.827 7.131 11.241 535 1HG GLU 66 2HG GLU 66 3.836 5.789 11.819 536 2HG GLU 66 1HG GLU 66 3.978 4.923 10.289 537 H LYS 67 H LYS 67 5.610 8.408 7.813 538 HA LYS 67 HA LYS 67 6.565 10.910 9.081 539 1HB LYS 67 2HB LYS 67 7.940 9.226 7.711 540 2HB LYS 67 1HB LYS 67 7.092 9.851 6.296 541 1HG LYS 67 2HG LYS 67 9.022 11.185 6.363 542 2HG LYS 67 1HG LYS 67 7.831 12.190 7.188 543 1HD LYS 67 2HD LYS 67 8.654 11.491 9.358 544 2HD LYS 67 1HD LYS 67 9.738 10.316 8.613 545 1HE LYS 67 2HE LYS 67 9.963 13.205 7.807 546 2HE LYS 67 1HE LYS 67 10.695 12.666 9.332 547 1HZ LYS 67 1HZ LYS 67 11.115 11.427 6.663 548 2HZ LYS 67 2HZ LYS 67 11.768 10.856 8.123 549 3HZ LYS 67 3HZ LYS 67 12.246 12.365 7.508 550 H TYR 68 H TYR 68 4.281 9.821 6.637 551 HA TYR 68 HA TYR 68 3.890 12.299 5.251 552 1HB TYR 68 2HB TYR 68 2.748 9.626 5.448 553 2HB TYR 68 1HB TYR 68 1.488 10.823 5.280 554 HD1 TYR 68 1HD TYR 68 0.788 11.025 3.059 555 HD2 TYR 68 2HD TYR 68 4.962 10.497 3.922 556 HE1 TYR 68 1HE TYR 68 1.314 11.211 0.640 557 HE2 TYR 68 2HE TYR 68 5.488 10.687 1.505 558 HH TYR 68 HH TYR 68 3.404 11.916 -0.736 559 H GLU 69 H GLU 69 1.843 10.768 7.757 560 HA GLU 69 HA GLU 69 -0.003 12.793 8.263 561 1HB GLU 69 2HB GLU 69 1.427 10.983 10.240 562 2HB GLU 69 1HB GLU 69 -0.122 11.779 10.529 563 1HG GLU 69 2HG GLU 69 -0.798 10.604 8.261 564 2HG GLU 69 1HG GLU 69 0.526 9.514 8.672 565 H LYS 70 H LYS 70 3.313 12.549 9.485 566 HA LYS 70 HA LYS 70 3.189 14.924 11.171 567 1HB LYS 70 2HB LYS 70 5.369 13.207 9.948 568 2HB LYS 70 1HB LYS 70 5.754 14.630 10.918 569 1HG LYS 70 2HG LYS 70 4.583 13.717 12.834 570 2HG LYS 70 1HG LYS 70 3.990 12.360 11.876 571 1HD LYS 70 2HD LYS 70 6.444 11.780 11.440 572 2HD LYS 70 1HD LYS 70 6.837 12.935 12.715 573 1HE LYS 70 2HE LYS 70 5.543 11.671 14.342 574 2HE LYS 70 1HE LYS 70 4.955 10.575 13.077 575 1HZ LYS 70 1HZ LYS 70 7.252 9.983 12.580 576 2HZ LYS 70 2HZ LYS 70 6.878 9.628 14.199 577 3HZ LYS 70 3HZ LYS 70 7.802 11.001 13.819 578 H ASP 71 H ASP 71 4.280 14.131 7.915 579 HA ASP 71 HA ASP 71 5.238 16.706 7.102 580 1HB ASP 71 2HB ASP 71 4.405 14.135 5.896 581 2HB ASP 71 1HB ASP 71 4.244 15.518 4.824 582 H ILE 72 H ILE 72 2.073 15.142 6.488 583 HA ILE 72 HA ILE 72 0.773 17.374 5.294 584 HB ILE 72 HB ILE 72 -0.032 14.845 6.725 585 1HG1 ILE 72 2HG1 ILE 72 -1.072 14.408 4.500 586 2HG1 ILE 72 1HG1 ILE 72 -0.497 15.981 3.954 587 1HG2 ILE 72 1HG2 ILE 72 -2.445 15.398 6.049 588 2HG2 ILE 72 2HG2 ILE 72 -1.921 17.077 5.918 589 3HG2 ILE 72 3HG2 ILE 72 -1.832 16.244 7.470 590 1HD1 ILE 72 1HD1 ILE 72 1.017 14.120 3.290 591 2HD1 ILE 72 2HD1 ILE 72 1.285 13.768 4.991 592 3HD1 ILE 72 3HD1 ILE 72 1.817 15.305 4.317 593 H ALA 73 H ALA 73 1.107 16.446 8.719 594 HA ALA 73 HA ALA 73 -0.647 18.359 9.889 595 1HB ALA 73 1HB ALA 73 2.016 17.279 10.881 596 2HB ALA 73 2HB ALA 73 0.461 16.462 11.048 597 3HB ALA 73 3HB ALA 73 0.753 17.981 11.894 598 H ALA 74 H ALA 74 2.796 18.633 8.990 599 HA ALA 74 HA ALA 74 2.946 21.449 9.810 600 1HB ALA 74 1HB ALA 74 4.807 19.739 9.922 601 2HB ALA 74 2HB ALA 74 5.247 21.214 9.058 602 3HB ALA 74 3HB ALA 74 4.845 19.751 8.158 603 H TYR 75 H TYR 75 2.577 19.579 6.820 604 HA TYR 75 HA TYR 75 2.903 21.793 4.996 605 1HB TYR 75 2HB TYR 75 2.913 19.150 4.730 606 2HB TYR 75 1HB TYR 75 1.205 19.411 4.370 607 HD1 TYR 75 1HD TYR 75 4.535 19.495 3.070 608 HD2 TYR 75 2HD TYR 75 0.640 21.251 2.625 609 HE1 TYR 75 1HE TYR 75 5.137 20.253 0.787 610 HE2 TYR 75 2HE TYR 75 1.242 22.007 0.342 611 HH TYR 75 HH TYR 75 3.779 20.824 -1.377 612 H ARG 76 H ARG 76 0.203 20.553 6.878 613 HA ARG 76 HA ARG 76 -1.848 22.004 5.368 614 1HB ARG 76 2HB ARG 76 -2.199 19.841 6.539 615 2HB ARG 76 1HB ARG 76 -1.875 20.639 8.078 616 1HG ARG 76 2HG ARG 76 -3.853 21.874 8.008 617 2HG ARG 76 1HG ARG 76 -3.991 21.743 6.255 618 1HD ARG 76 2HD ARG 76 -4.970 19.652 6.352 619 2HD ARG 76 1HD ARG 76 -4.097 19.200 7.830 620 HE ARG 76 HE ARG 76 -5.763 20.319 9.117 621 1HH1 ARG 76 1HH2 ARG 76 -7.737 19.353 7.140 622 2HH1 ARG 76 2HH2 ARG 76 -8.539 20.809 6.652 623 1HH2 ARG 76 1HH1 ARG 76 -6.064 22.900 7.890 624 2HH2 ARG 76 2HH1 ARG 76 -7.592 22.817 7.077 625 H ALA 77 H ALA 77 0.466 22.934 7.713 626 HA ALA 77 HA ALA 77 -1.248 25.229 8.600 627 1HB ALA 77 1HB ALA 77 0.113 25.192 10.626 628 2HB ALA 77 2HB ALA 77 1.178 23.975 9.924 629 3HB ALA 77 3HB ALA 77 -0.490 23.562 10.321 630 H LYS 78 H LYS 78 -0.611 26.497 6.715 631 HA LYS 78 HA LYS 78 2.229 27.463 6.835 632 1HB LYS 78 2HB LYS 78 0.407 26.813 4.506 633 2HB LYS 78 1HB LYS 78 1.872 27.777 4.312 634 1HG LYS 78 2HG LYS 78 1.973 25.107 5.704 635 2HG LYS 78 1HG LYS 78 2.032 25.204 3.943 636 1HD LYS 78 2HD LYS 78 4.001 26.612 4.024 637 2HD LYS 78 1HD LYS 78 3.892 26.735 5.781 638 1HE LYS 78 2HE LYS 78 4.108 24.168 5.817 639 2HE LYS 78 1HE LYS 78 4.622 24.310 4.123 640 1HZ LYS 78 1HZ LYS 78 6.517 24.463 5.640 641 2HZ LYS 78 2HZ LYS 78 5.803 25.796 6.412 642 3HZ LYS 78 3HZ LYS 78 6.294 25.913 4.790 Start of MODEL 29 1 1H MET 1 1HT MET 1 -7.887 19.373 -9.583 2 2H MET 1 2HT MET 1 -8.084 17.908 -10.422 3 3H MET 1 3HT MET 1 -7.228 19.191 -11.135 4 HA MET 1 HA MET 1 -5.681 17.515 -10.323 5 1HB MET 1 2HB MET 1 -5.924 20.246 -9.073 6 2HB MET 1 1HB MET 1 -4.544 19.216 -8.692 7 1HG MET 1 2HG MET 1 -4.088 18.990 -11.138 8 2HG MET 1 1HG MET 1 -5.400 20.124 -11.456 9 1HE MET 1 1HE MET 1 -1.499 20.111 -11.147 10 2HE MET 1 2HE MET 1 -2.276 19.267 -9.811 11 3HE MET 1 3HE MET 1 -1.367 20.744 -9.500 12 H LYS 2 H LYS 2 -6.045 15.709 -9.072 13 HA LYS 2 HA LYS 2 -7.177 16.049 -6.327 14 1HB LYS 2 2HB LYS 2 -8.210 14.515 -8.050 15 2HB LYS 2 1HB LYS 2 -6.735 13.549 -7.985 16 1HG LYS 2 2HG LYS 2 -7.074 13.230 -5.545 17 2HG LYS 2 1HG LYS 2 -8.585 14.134 -5.656 18 1HD LYS 2 2HD LYS 2 -9.360 11.947 -5.854 19 2HD LYS 2 1HD LYS 2 -9.147 12.388 -7.549 20 1HE LYS 2 2HE LYS 2 -6.811 11.395 -7.417 21 2HE LYS 2 1HE LYS 2 -7.263 10.750 -5.826 22 1HZ LYS 2 1HZ LYS 2 -7.767 9.174 -7.617 23 2HZ LYS 2 2HZ LYS 2 -8.788 10.322 -8.342 24 3HZ LYS 2 3HZ LYS 2 -9.174 9.680 -6.816 25 H LYS 3 H LYS 3 -5.765 15.929 -4.635 26 HA LYS 3 HA LYS 3 -3.793 15.512 -3.400 27 1HB LYS 3 2HB LYS 3 -4.798 13.226 -3.819 28 2HB LYS 3 1HB LYS 3 -3.708 13.068 -5.197 29 1HG LYS 3 2HG LYS 3 -1.984 13.855 -3.197 30 2HG LYS 3 1HG LYS 3 -3.136 12.853 -2.315 31 1HD LYS 3 2HD LYS 3 -2.721 10.967 -3.722 32 2HD LYS 3 1HD LYS 3 -1.841 11.949 -4.895 33 1HE LYS 3 2HE LYS 3 -0.065 10.985 -3.713 34 2HE LYS 3 1HE LYS 3 -0.301 12.477 -2.781 35 1HZ LYS 3 1HZ LYS 3 -1.907 11.243 -1.390 36 2HZ LYS 3 2HZ LYS 3 -0.328 10.629 -1.273 37 3HZ LYS 3 3HZ LYS 3 -1.490 9.815 -2.205 38 H ASP 4 H ASP 4 -2.492 17.228 -4.228 39 HA ASP 4 HA ASP 4 -0.926 16.866 -6.691 40 1HB ASP 4 2HB ASP 4 -1.086 18.954 -4.498 41 2HB ASP 4 1HB ASP 4 -0.007 19.104 -5.886 42 HA PRO 5 HA PRO 5 2.590 15.059 -4.727 43 1HB PRO 5 2HB PRO 5 4.641 16.059 -6.235 44 2HB PRO 5 1HB PRO 5 3.538 14.797 -6.816 45 1HG PRO 5 2HG PRO 5 3.538 17.718 -7.388 46 2HG PRO 5 1HG PRO 5 3.200 16.357 -8.468 47 1HD PRO 5 2HD PRO 5 1.254 17.902 -7.357 48 2HD PRO 5 1HD PRO 5 1.016 16.197 -7.800 49 H ASN 6 H ASN 6 2.400 18.537 -5.116 50 HA ASN 6 HA ASN 6 4.679 19.382 -3.638 51 1HB ASN 6 2HB ASN 6 1.919 20.477 -4.169 52 2HB ASN 6 1HB ASN 6 3.060 21.373 -3.165 53 1HD2 ASN 6 1HD2 ASN 6 5.449 21.268 -4.342 54 2HD2 ASN 6 2HD2 ASN 6 5.407 21.744 -5.970 55 H ALA 7 H ALA 7 1.413 18.447 -2.525 56 HA ALA 7 HA ALA 7 2.332 18.758 0.302 57 1HB ALA 7 1HB ALA 7 -0.435 18.351 -0.871 58 2HB ALA 7 2HB ALA 7 0.275 19.923 -0.506 59 3HB ALA 7 3HB ALA 7 -0.064 18.784 0.797 60 HA PRO 8 HA PRO 8 2.311 14.348 0.554 61 1HB PRO 8 2HB PRO 8 2.646 14.079 3.237 62 2HB PRO 8 1HB PRO 8 3.945 14.467 2.095 63 1HG PRO 8 2HG PRO 8 2.672 16.164 4.073 64 2HG PRO 8 1HG PRO 8 4.161 16.360 3.154 65 1HD PRO 8 2HD PRO 8 1.634 17.623 2.677 66 2HD PRO 8 1HD PRO 8 3.181 17.877 1.846 67 H LYS 9 H LYS 9 -0.072 14.437 -0.027 68 HA LYS 9 HA LYS 9 -2.206 14.628 1.836 69 1HB LYS 9 2HB LYS 9 -1.755 13.180 -0.771 70 2HB LYS 9 1HB LYS 9 -3.315 13.114 0.046 71 1HG LYS 9 2HG LYS 9 -1.991 15.772 -0.394 72 2HG LYS 9 1HG LYS 9 -2.865 15.004 -1.719 73 1HD LYS 9 2HD LYS 9 -4.916 15.066 -0.573 74 2HD LYS 9 1HD LYS 9 -4.137 15.265 0.998 75 1HE LYS 9 2HE LYS 9 -3.230 17.511 -0.122 76 2HE LYS 9 1HE LYS 9 -4.694 17.319 -1.107 77 1HZ LYS 9 1HZ LYS 9 -4.563 17.254 1.862 78 2HZ LYS 9 2HZ LYS 9 -5.964 16.984 0.939 79 3HZ LYS 9 3HZ LYS 9 -5.214 18.508 0.924 80 H ARG 10 H ARG 10 -3.647 12.335 1.789 81 HA ARG 10 HA ARG 10 -3.069 10.841 4.000 82 1HB ARG 10 2HB ARG 10 -4.433 9.062 2.930 83 2HB ARG 10 1HB ARG 10 -5.098 10.668 2.630 84 1HG ARG 10 2HG ARG 10 -4.112 10.717 0.407 85 2HG ARG 10 1HG ARG 10 -3.281 9.191 0.703 86 1HD ARG 10 2HD ARG 10 -5.109 8.221 -0.263 87 2HD ARG 10 1HD ARG 10 -5.936 8.571 1.267 88 HE ARG 10 HE ARG 10 -5.832 10.782 -0.694 89 1HH1 ARG 10 1HH1 ARG 10 -7.501 7.923 -0.660 90 2HH1 ARG 10 2HH1 ARG 10 -9.080 8.617 -0.493 91 1HH2 ARG 10 1HH2 ARG 10 -7.898 11.814 0.143 92 2HH2 ARG 10 2HH2 ARG 10 -9.304 10.820 -0.038 93 HA PRO 11 HA PRO 11 0.577 8.476 3.240 94 1HB PRO 11 2HB PRO 11 0.177 6.378 4.950 95 2HB PRO 11 1HB PRO 11 0.625 8.006 5.499 96 1HG PRO 11 2HG PRO 11 -2.042 6.689 5.467 97 2HG PRO 11 1HG PRO 11 -1.322 7.744 6.691 98 1HD PRO 11 2HD PRO 11 -3.170 8.596 4.889 99 2HD PRO 11 1HD PRO 11 -1.928 9.658 5.589 100 HA PRO 12 HA PRO 12 -0.561 5.399 0.274 101 1HB PRO 12 2HB PRO 12 1.756 3.939 0.147 102 2HB PRO 12 1HB PRO 12 1.590 5.552 -0.578 103 1HG PRO 12 2HG PRO 12 2.847 4.752 1.993 104 2HG PRO 12 1HG PRO 12 3.374 5.957 0.809 105 1HD PRO 12 2HD PRO 12 2.120 6.597 3.134 106 2HD PRO 12 1HD PRO 12 1.995 7.579 1.656 107 H SER 13 H SER 13 -1.315 3.259 0.215 108 HA SER 13 HA SER 13 -1.178 1.736 2.792 109 1HB SER 13 2HB SER 13 -3.152 2.107 0.568 110 2HB SER 13 1HB SER 13 -3.166 0.570 1.428 111 HG SER 13 HG SER 13 -4.103 1.559 3.015 112 H ALA 14 H ALA 14 -0.598 -0.534 2.666 113 HA ALA 14 HA ALA 14 1.414 -1.302 0.830 114 1HB ALA 14 1HB ALA 14 0.638 -2.298 3.087 115 2HB ALA 14 2HB ALA 14 1.208 -3.428 1.857 116 3HB ALA 14 3HB ALA 14 -0.523 -3.219 2.129 117 H PHE 15 H PHE 15 -2.097 -1.910 0.709 118 HA PHE 15 HA PHE 15 -2.059 -3.506 -1.697 119 1HB PHE 15 2HB PHE 15 -3.904 -3.466 -0.055 120 2HB PHE 15 1HB PHE 15 -4.206 -1.769 -0.423 121 HD1 PHE 15 1HD PHE 15 -6.186 -1.537 -1.628 122 HD2 PHE 15 2HD PHE 15 -3.538 -4.789 -2.561 123 HE1 PHE 15 1HE PHE 15 -7.662 -2.200 -3.508 124 HE2 PHE 15 2HE PHE 15 -5.015 -5.451 -4.441 125 HZ PHE 15 HZ PHE 15 -7.077 -4.157 -4.913 126 H PHE 16 H PHE 16 -2.011 -0.047 -1.062 127 HA PHE 16 HA PHE 16 -2.855 0.823 -3.687 128 1HB PHE 16 2HB PHE 16 -2.655 2.046 -1.366 129 2HB PHE 16 1HB PHE 16 -0.997 2.359 -1.880 130 HD1 PHE 16 1HD PHE 16 -0.520 4.131 -3.352 131 HD2 PHE 16 2HD PHE 16 -4.548 2.676 -3.016 132 HE1 PHE 16 1HE PHE 16 -1.313 5.992 -4.786 133 HE2 PHE 16 2HE PHE 16 -5.341 4.537 -4.449 134 HZ PHE 16 HZ PHE 16 -3.723 6.196 -5.335 135 H LEU 17 H LEU 17 0.294 0.007 -2.256 136 HA LEU 17 HA LEU 17 1.913 0.964 -4.455 137 1HB LEU 17 2HB LEU 17 2.219 -1.057 -2.226 138 2HB LEU 17 1HB LEU 17 3.500 -0.827 -3.416 139 HG LEU 17 HG LEU 17 3.259 1.698 -2.869 140 1HD1 LEU 17 1HD1 LEU 17 1.839 0.404 -0.541 141 2HD1 LEU 17 2HD1 LEU 17 1.241 1.690 -1.590 142 3HD1 LEU 17 3HD1 LEU 17 2.547 2.016 -0.450 143 1HD2 LEU 17 1HD2 LEU 17 4.431 -0.357 -0.994 144 2HD2 LEU 17 2HD2 LEU 17 4.678 1.373 -0.760 145 3HD2 LEU 17 3HD2 LEU 17 5.263 0.589 -2.228 146 H PHE 18 H PHE 18 1.450 -2.433 -3.579 147 HA PHE 18 HA PHE 18 1.968 -3.846 -5.846 148 1HB PHE 18 2HB PHE 18 1.184 -4.958 -3.890 149 2HB PHE 18 1HB PHE 18 -0.332 -4.065 -3.889 150 HD1 PHE 18 1HD PHE 18 1.582 -6.787 -5.527 151 HD2 PHE 18 2HD PHE 18 -2.198 -4.766 -5.249 152 HE1 PHE 18 1HE PHE 18 0.506 -8.621 -6.805 153 HE2 PHE 18 2HE PHE 18 -3.274 -6.598 -6.527 154 HZ PHE 18 HZ PHE 18 -1.925 -8.528 -7.304 155 H CYS 19 H CYS 19 -1.300 -2.355 -5.344 156 HA CYS 19 HA CYS 19 -2.314 -2.974 -7.936 157 1HB CYS 19 2HB CYS 19 -3.653 -2.255 -5.982 158 2HB CYS 19 1HB CYS 19 -2.904 -0.663 -6.053 159 HG CYS 19 HG CYS 19 -4.912 -0.200 -7.484 160 H SER 20 H SER 20 -0.694 -0.040 -6.724 161 HA SER 20 HA SER 20 -0.796 1.582 -9.024 162 1HB SER 20 2HB SER 20 0.064 2.172 -6.748 163 2HB SER 20 1HB SER 20 1.516 1.236 -7.089 164 HG SER 20 HG SER 20 2.230 2.915 -8.110 165 H GLU 21 H GLU 21 1.323 -1.173 -8.353 166 HA GLU 21 HA GLU 21 2.905 -0.650 -10.793 167 1HB GLU 21 2HB GLU 21 3.526 -3.239 -9.716 168 2HB GLU 21 1HB GLU 21 4.523 -1.799 -9.730 169 1HG GLU 21 2HG GLU 21 2.487 -2.466 -7.576 170 2HG GLU 21 1HG GLU 21 4.217 -2.748 -7.452 171 H HIS 22 H HIS 22 0.344 -2.898 -9.743 172 HA HIS 22 HA HIS 22 0.541 -4.363 -12.315 173 1HB HIS 22 2HB HIS 22 -1.134 -4.646 -9.803 174 2HB HIS 22 1HB HIS 22 -1.250 -5.735 -11.185 175 HD1 HIS 22 1HD HIS 22 1.253 -6.762 -11.912 176 HD2 HIS 22 2HD HIS 22 0.733 -5.501 -7.973 177 HE1 HIS 22 1HE HIS 22 3.083 -7.870 -10.558 178 H ARG 23 H ARG 23 -0.550 -1.443 -11.841 179 HA ARG 23 HA ARG 23 -3.366 -1.694 -12.623 180 1HB ARG 23 2HB ARG 23 -2.432 0.050 -11.088 181 2HB ARG 23 1HB ARG 23 -1.562 0.736 -12.456 182 1HG ARG 23 2HG ARG 23 -3.842 0.855 -13.637 183 2HG ARG 23 1HG ARG 23 -4.545 0.564 -12.046 184 1HD ARG 23 2HD ARG 23 -2.586 2.813 -12.632 185 2HD ARG 23 1HD ARG 23 -4.349 3.013 -12.586 186 HE ARG 23 HE ARG 23 -3.063 1.742 -10.233 187 1HH1 ARG 23 1HH1 ARG 23 -3.000 4.864 -11.154 188 2HH1 ARG 23 2HH1 ARG 23 -4.055 5.483 -9.927 189 1HH2 ARG 23 1HH2 ARG 23 -5.112 2.349 -8.884 190 2HH2 ARG 23 2HH2 ARG 23 -5.251 4.059 -8.643 191 HA PRO 24 HA PRO 24 -1.656 -0.017 -16.745 192 1HB PRO 24 2HB PRO 24 1.015 -0.221 -17.276 193 2HB PRO 24 1HB PRO 24 0.289 1.203 -16.505 194 1HG PRO 24 2HG PRO 24 1.845 -1.012 -15.303 195 2HG PRO 24 1HG PRO 24 1.780 0.699 -14.859 196 1HD PRO 24 2HD PRO 24 0.480 -1.338 -13.531 197 2HD PRO 24 1HD PRO 24 0.046 0.379 -13.440 198 H LYS 25 H LYS 25 -0.759 -2.951 -15.228 199 HA LYS 25 HA LYS 25 -0.031 -4.402 -17.682 200 1HB LYS 25 2HB LYS 25 0.924 -4.887 -15.436 201 2HB LYS 25 1HB LYS 25 -0.686 -5.313 -14.858 202 1HG LYS 25 2HG LYS 25 -0.824 -7.134 -16.489 203 2HG LYS 25 1HG LYS 25 0.750 -6.686 -17.149 204 1HD LYS 25 2HD LYS 25 1.877 -7.297 -15.133 205 2HD LYS 25 1HD LYS 25 0.361 -7.418 -14.240 206 1HE LYS 25 2HE LYS 25 0.703 -9.669 -14.698 207 2HE LYS 25 1HE LYS 25 -0.165 -9.216 -16.179 208 1HZ LYS 25 1HZ LYS 25 1.935 -10.325 -16.695 209 2HZ LYS 25 2HZ LYS 25 2.786 -9.143 -15.821 210 3HZ LYS 25 3HZ LYS 25 1.946 -8.717 -17.234 211 H ILE 26 H ILE 26 -2.828 -4.044 -15.529 212 HA ILE 26 HA ILE 26 -4.472 -6.063 -16.809 213 HB ILE 26 HB ILE 26 -5.146 -3.640 -15.102 214 1HG1 ILE 26 2HG1 ILE 26 -3.572 -5.185 -14.005 215 2HG1 ILE 26 1HG1 ILE 26 -5.153 -5.268 -13.236 216 1HG2 ILE 26 1HG2 ILE 26 -7.109 -5.307 -14.509 217 2HG2 ILE 26 2HG2 ILE 26 -6.754 -5.964 -16.106 218 3HG2 ILE 26 3HG2 ILE 26 -7.223 -4.274 -15.933 219 1HD1 ILE 26 1HD1 ILE 26 -4.381 -7.535 -13.523 220 2HD1 ILE 26 2HD1 ILE 26 -3.973 -7.239 -15.213 221 3HD1 ILE 26 3HD1 ILE 26 -5.661 -7.267 -14.705 222 H LYS 27 H LYS 27 -3.597 -2.816 -17.668 223 HA LYS 27 HA LYS 27 -5.991 -2.181 -19.207 224 1HB LYS 27 2HB LYS 27 -3.217 -1.067 -18.839 225 2HB LYS 27 1HB LYS 27 -4.281 -0.409 -20.084 226 1HG LYS 27 2HG LYS 27 -6.025 -0.019 -18.356 227 2HG LYS 27 1HG LYS 27 -4.905 -0.602 -17.123 228 1HD LYS 27 2HD LYS 27 -3.406 1.217 -17.478 229 2HD LYS 27 1HD LYS 27 -4.207 1.679 -18.980 230 1HE LYS 27 2HE LYS 27 -4.985 3.242 -17.333 231 2HE LYS 27 1HE LYS 27 -6.311 2.079 -17.529 232 1HZ LYS 27 1HZ LYS 27 -5.766 2.379 -15.187 233 2HZ LYS 27 2HZ LYS 27 -4.157 1.919 -15.486 234 3HZ LYS 27 3HZ LYS 27 -5.415 0.796 -15.687 235 H SER 28 H SER 28 -3.120 -4.054 -19.806 236 HA SER 28 HA SER 28 -3.049 -3.748 -22.696 237 1HB SER 28 2HB SER 28 -1.152 -4.453 -21.220 238 2HB SER 28 1HB SER 28 -2.009 -5.956 -20.888 239 HG SER 28 HG SER 28 -0.725 -6.435 -22.580 240 H GLU 29 H GLU 29 -4.457 -6.140 -20.461 241 HA GLU 29 HA GLU 29 -5.684 -7.606 -22.740 242 1HB GLU 29 2HB GLU 29 -5.228 -8.076 -19.801 243 2HB GLU 29 1HB GLU 29 -6.358 -9.088 -20.700 244 1HG GLU 29 2HG GLU 29 -3.565 -8.601 -21.726 245 2HG GLU 29 1HG GLU 29 -3.891 -9.875 -20.548 246 H HIS 30 H HIS 30 -6.538 -4.971 -20.852 247 HA HIS 30 HA HIS 30 -9.434 -5.477 -21.335 248 1HB HIS 30 2HB HIS 30 -8.210 -4.612 -18.693 249 2HB HIS 30 1HB HIS 30 -9.933 -4.765 -19.017 250 HD1 HIS 30 1HD HIS 30 -10.949 -7.105 -18.958 251 HD2 HIS 30 2HD HIS 30 -6.795 -7.139 -18.636 252 HE1 HIS 30 1HE HIS 30 -10.301 -9.474 -18.340 253 HA PRO 31 HA PRO 31 -8.098 -1.226 -22.545 254 1HB PRO 31 2HB PRO 31 -9.808 -1.039 -24.680 255 2HB PRO 31 1HB PRO 31 -8.197 -1.778 -24.791 256 1HG PRO 31 2HG PRO 31 -10.862 -3.089 -24.493 257 2HG PRO 31 1HG PRO 31 -9.490 -3.546 -25.517 258 1HD PRO 31 2HD PRO 31 -10.018 -4.794 -23.180 259 2HD PRO 31 1HD PRO 31 -8.362 -4.567 -23.786 260 H GLY 32 H GLY 32 -9.041 0.172 -21.095 261 1HA GLY 32 2HA GLY 32 -10.851 1.742 -20.640 262 2HA GLY 32 1HA GLY 32 -11.993 0.542 -21.239 263 H LEU 33 H LEU 33 -10.106 -1.386 -19.484 264 HA LEU 33 HA LEU 33 -11.861 -1.892 -17.370 265 1HB LEU 33 2HB LEU 33 -9.558 -2.933 -18.311 266 2HB LEU 33 1HB LEU 33 -8.937 -2.150 -16.863 267 HG LEU 33 HG LEU 33 -9.586 -4.486 -16.400 268 1HD1 LEU 33 1HD1 LEU 33 -11.704 -2.859 -15.053 269 2HD1 LEU 33 2HD1 LEU 33 -10.014 -2.415 -14.805 270 3HD1 LEU 33 3HD1 LEU 33 -10.578 -4.028 -14.364 271 1HD2 LEU 33 1HD2 LEU 33 -11.607 -5.393 -16.974 272 2HD2 LEU 33 2HD2 LEU 33 -11.611 -4.099 -18.172 273 3HD2 LEU 33 3HD2 LEU 33 -12.484 -3.896 -16.654 274 H SER 34 H SER 34 -12.610 -0.364 -15.993 275 HA SER 34 HA SER 34 -11.119 1.943 -15.088 276 1HB SER 34 2HB SER 34 -13.129 1.890 -13.399 277 2HB SER 34 1HB SER 34 -13.464 2.139 -15.107 278 HG SER 34 HG SER 34 -14.794 0.516 -14.544 279 H ILE 35 H ILE 35 -11.462 2.058 -12.356 280 HA ILE 35 HA ILE 35 -9.417 0.147 -11.393 281 HB ILE 35 HB ILE 35 -10.794 2.528 -10.102 282 1HG1 ILE 35 2HG1 ILE 35 -9.531 3.158 -12.128 283 2HG1 ILE 35 1HG1 ILE 35 -8.719 3.751 -10.681 284 1HG2 ILE 35 1HG2 ILE 35 -9.870 1.348 -8.311 285 2HG2 ILE 35 2HG2 ILE 35 -8.544 2.420 -8.758 286 3HG2 ILE 35 3HG2 ILE 35 -8.528 0.734 -9.277 287 1HD1 ILE 35 1HD1 ILE 35 -7.989 1.268 -12.266 288 2HD1 ILE 35 2HD1 ILE 35 -7.227 1.744 -10.748 289 3HD1 ILE 35 3HD1 ILE 35 -7.063 2.766 -12.177 290 H GLY 36 H GLY 36 -12.530 -0.389 -11.820 291 1HA GLY 36 2HA GLY 36 -13.248 -1.213 -9.068 292 2HA GLY 36 1HA GLY 36 -14.319 -1.252 -10.470 293 H ASP 37 H ASP 37 -13.373 -2.794 -12.285 294 HA ASP 37 HA ASP 37 -13.407 -5.473 -11.267 295 1HB ASP 37 2HB ASP 37 -12.671 -4.163 -13.889 296 2HB ASP 37 1HB ASP 37 -12.590 -5.913 -13.690 297 H THR 38 H THR 38 -10.726 -3.442 -12.480 298 HA THR 38 HA THR 38 -8.626 -5.352 -12.182 299 HB THR 38 HB THR 38 -8.813 -2.326 -12.162 300 HG1 THR 38 1HG THR 38 -7.955 -2.615 -14.216 301 1HG2 THR 38 1HG2 THR 38 -6.258 -3.965 -12.215 302 2HG2 THR 38 2HG2 THR 38 -6.796 -2.987 -10.851 303 3HG2 THR 38 3HG2 THR 38 -6.373 -2.213 -12.379 304 H ALA 39 H ALA 39 -10.097 -3.091 -9.876 305 HA ALA 39 HA ALA 39 -8.213 -3.481 -7.725 306 1HB ALA 39 1HB ALA 39 -9.673 -1.579 -7.720 307 2HB ALA 39 2HB ALA 39 -10.227 -2.601 -6.392 308 3HB ALA 39 3HB ALA 39 -11.103 -2.591 -7.923 309 H LYS 40 H LYS 40 -11.057 -5.242 -8.829 310 HA LYS 40 HA LYS 40 -11.275 -6.924 -6.441 311 1HB LYS 40 2HB LYS 40 -12.490 -6.769 -9.192 312 2HB LYS 40 1HB LYS 40 -12.778 -8.192 -8.190 313 1HG LYS 40 2HG LYS 40 -13.783 -6.882 -6.456 314 2HG LYS 40 1HG LYS 40 -13.242 -5.373 -7.194 315 1HD LYS 40 2HD LYS 40 -14.710 -5.737 -9.109 316 2HD LYS 40 1HD LYS 40 -15.196 -7.308 -8.470 317 1HE LYS 40 2HE LYS 40 -16.312 -6.297 -6.590 318 2HE LYS 40 1HE LYS 40 -15.621 -4.705 -6.967 319 1HZ LYS 40 1HZ LYS 40 -17.397 -6.272 -8.764 320 2HZ LYS 40 2HZ LYS 40 -16.747 -4.737 -9.093 321 3HZ LYS 40 3HZ LYS 40 -17.883 -4.932 -7.844 322 H LYS 41 H LYS 41 -9.667 -7.078 -9.574 323 HA LYS 41 HA LYS 41 -8.940 -9.921 -9.287 324 1HB LYS 41 2HB LYS 41 -9.480 -8.593 -11.426 325 2HB LYS 41 1HB LYS 41 -7.878 -7.876 -11.248 326 1HG LYS 41 2HG LYS 41 -6.783 -9.921 -11.586 327 2HG LYS 41 1HG LYS 41 -8.210 -10.866 -11.159 328 1HD LYS 41 2HD LYS 41 -9.323 -10.210 -13.220 329 2HD LYS 41 1HD LYS 41 -7.995 -9.125 -13.631 330 1HE LYS 41 2HE LYS 41 -7.389 -12.027 -13.123 331 2HE LYS 41 1HE LYS 41 -8.050 -11.536 -14.696 332 1HZ LYS 41 1HZ LYS 41 -5.613 -11.386 -14.641 333 2HZ LYS 41 2HZ LYS 41 -5.713 -10.275 -13.360 334 3HZ LYS 41 3HZ LYS 41 -6.333 -9.871 -14.889 335 H LEU 42 H LEU 42 -7.595 -6.820 -8.441 336 HA LEU 42 HA LEU 42 -4.820 -7.802 -8.226 337 1HB LEU 42 2HB LEU 42 -6.344 -5.273 -8.114 338 2HB LEU 42 1HB LEU 42 -4.953 -5.335 -7.035 339 HG LEU 42 HG LEU 42 -3.549 -6.072 -8.975 340 1HD1 LEU 42 1HD1 LEU 42 -4.402 -6.064 -11.183 341 2HD1 LEU 42 2HD1 LEU 42 -5.864 -5.202 -10.705 342 3HD1 LEU 42 3HD1 LEU 42 -5.646 -6.892 -10.247 343 1HD2 LEU 42 1HD2 LEU 42 -4.176 -3.598 -8.200 344 2HD2 LEU 42 2HD2 LEU 42 -4.863 -3.530 -9.822 345 3HD2 LEU 42 3HD2 LEU 42 -3.150 -3.889 -9.603 346 H GLY 43 H GLY 43 -7.343 -6.547 -6.010 347 1HA GLY 43 2HA GLY 43 -5.969 -6.976 -3.567 348 2HA GLY 43 1HA GLY 43 -7.730 -6.990 -3.727 349 H GLU 44 H GLU 44 -7.560 -9.237 -5.711 350 HA GLU 44 HA GLU 44 -7.693 -11.456 -3.826 351 1HB GLU 44 2HB GLU 44 -9.078 -11.178 -5.907 352 2HB GLU 44 1HB GLU 44 -7.615 -11.404 -6.866 353 1HG GLU 44 2HG GLU 44 -8.467 -13.574 -6.817 354 2HG GLU 44 1HG GLU 44 -7.363 -13.602 -5.442 355 H MET 45 H MET 45 -5.402 -10.273 -6.270 356 HA MET 45 HA MET 45 -3.535 -12.498 -5.933 357 1HB MET 45 2HB MET 45 -3.677 -9.875 -7.394 358 2HB MET 45 1HB MET 45 -2.118 -10.688 -7.252 359 1HG MET 45 2HG MET 45 -3.117 -12.741 -8.219 360 2HG MET 45 1HG MET 45 -4.653 -11.893 -8.403 361 1HE MET 45 1HE MET 45 -4.281 -12.715 -11.194 362 2HE MET 45 2HE MET 45 -4.444 -11.103 -11.884 363 3HE MET 45 3HE MET 45 -5.328 -11.518 -10.418 364 H TRP 46 H TRP 46 -3.733 -9.092 -4.858 365 HA TRP 46 HA TRP 46 -1.245 -8.761 -3.563 366 1HB TRP 46 2HB TRP 46 -2.856 -6.981 -3.853 367 2HB TRP 46 1HB TRP 46 -4.056 -7.816 -2.878 368 HD1 TRP 46 HD TRP 46 -4.226 -6.771 -0.558 369 HE1 TRP 46 1HE TRP 46 -2.578 -5.690 1.107 370 HE3 TRP 46 3HE TRP 46 0.077 -7.120 -3.253 371 HZ2 TRP 46 2HZ TRP 46 0.216 -5.059 1.263 372 HZ3 TRP 46 3HZ TRP 46 2.220 -6.274 -2.334 373 HH2 TRP 46 HH TRP 46 2.289 -5.249 -0.087 374 H SER 47 H SER 47 -4.278 -10.073 -2.151 375 HA SER 47 HA SER 47 -3.140 -10.772 0.396 376 1HB SER 47 2HB SER 47 -5.601 -10.513 -0.485 377 2HB SER 47 1HB SER 47 -5.439 -12.216 -0.904 378 HG SER 47 HG SER 47 -6.253 -11.964 1.203 379 H GLU 48 H GLU 48 -2.595 -12.166 -2.684 380 HA GLU 48 HA GLU 48 -2.017 -14.853 -1.562 381 1HB GLU 48 2HB GLU 48 -2.671 -13.651 -4.224 382 2HB GLU 48 1HB GLU 48 -1.703 -15.124 -4.199 383 1HG GLU 48 2HG GLU 48 -4.277 -14.888 -2.636 384 2HG GLU 48 1HG GLU 48 -4.254 -15.425 -4.317 385 H GLN 49 H GLN 49 -0.457 -11.908 -2.608 386 HA GLN 49 HA GLN 49 2.017 -12.967 -3.573 387 1HB GLN 49 2HB GLN 49 1.397 -10.416 -2.035 388 2HB GLN 49 1HB GLN 49 2.851 -10.694 -2.987 389 1HG GLN 49 2HG GLN 49 0.014 -10.607 -4.043 390 2HG GLN 49 1HG GLN 49 1.245 -9.376 -4.278 391 1HE2 GLN 49 1HE2 GLN 49 -0.159 -11.066 -6.344 392 2HE2 GLN 49 2HE2 GLN 49 1.081 -11.856 -7.190 393 H SER 50 H SER 50 3.881 -13.567 -2.450 394 HA SER 50 HA SER 50 3.548 -14.160 0.431 395 1HB SER 50 2HB SER 50 5.598 -15.516 0.017 396 2HB SER 50 1HB SER 50 4.337 -15.886 -1.156 397 HG SER 50 HG SER 50 6.608 -15.418 -1.904 398 H ALA 51 H ALA 51 6.856 -13.694 -0.280 399 HA ALA 51 HA ALA 51 6.771 -11.025 1.058 400 1HB ALA 51 1HB ALA 51 8.003 -12.630 2.310 401 2HB ALA 51 2HB ALA 51 9.238 -11.693 1.468 402 3HB ALA 51 3HB ALA 51 8.774 -13.285 0.865 403 H LYS 52 H LYS 52 7.220 -12.398 -2.019 404 HA LYS 52 HA LYS 52 9.384 -10.719 -2.998 405 1HB LYS 52 2HB LYS 52 8.572 -12.950 -3.902 406 2HB LYS 52 1HB LYS 52 7.157 -12.102 -4.525 407 1HG LYS 52 2HG LYS 52 8.676 -10.582 -5.797 408 2HG LYS 52 1HG LYS 52 10.049 -11.543 -5.245 409 1HD LYS 52 2HD LYS 52 7.784 -13.010 -6.512 410 2HD LYS 52 1HD LYS 52 8.815 -12.049 -7.572 411 1HE LYS 52 2HE LYS 52 10.083 -13.890 -5.551 412 2HE LYS 52 1HE LYS 52 9.492 -14.538 -7.094 413 1HZ LYS 52 1HZ LYS 52 10.715 -12.732 -8.220 414 2HZ LYS 52 2HZ LYS 52 11.743 -13.800 -7.389 415 3HZ LYS 52 3HZ LYS 52 11.383 -12.276 -6.729 416 H ASP 53 H ASP 53 5.822 -10.591 -3.177 417 HA ASP 53 HA ASP 53 6.042 -7.713 -4.007 418 1HB ASP 53 2HB ASP 53 4.593 -10.050 -5.080 419 2HB ASP 53 1HB ASP 53 3.602 -8.603 -4.904 420 H LYS 54 H LYS 54 6.012 -8.055 -1.374 421 HA LYS 54 HA LYS 54 3.477 -6.934 -0.502 422 1HB LYS 54 2HB LYS 54 3.516 -9.644 -0.789 423 2HB LYS 54 1HB LYS 54 4.029 -9.482 0.886 424 1HG LYS 54 2HG LYS 54 2.020 -7.825 1.092 425 2HG LYS 54 1HG LYS 54 1.469 -8.559 -0.408 426 1HD LYS 54 2HD LYS 54 0.405 -9.772 1.341 427 2HD LYS 54 1HD LYS 54 1.700 -10.806 0.745 428 1HE LYS 54 2HE LYS 54 2.082 -10.942 3.048 429 2HE LYS 54 1HE LYS 54 3.100 -9.545 2.646 430 1HZ LYS 54 1HZ LYS 54 1.563 -9.050 4.475 431 2HZ LYS 54 2HZ LYS 54 0.245 -9.402 3.462 432 3HZ LYS 54 3HZ LYS 54 1.256 -8.080 3.118 433 H GLN 55 H GLN 55 6.544 -8.471 0.429 434 HA GLN 55 HA GLN 55 6.603 -7.434 3.132 435 1HB GLN 55 2HB GLN 55 8.398 -8.812 1.211 436 2HB GLN 55 1HB GLN 55 9.198 -7.917 2.500 437 1HG GLN 55 2HG GLN 55 6.994 -9.950 2.946 438 2HG GLN 55 1HG GLN 55 8.715 -10.297 3.113 439 1HE2 GLN 55 1HE2 GLN 55 5.959 -9.077 4.767 440 2HE2 GLN 55 2HE2 GLN 55 6.765 -8.475 6.134 441 HA PRO 56 HA PRO 56 9.465 -4.035 1.385 442 1HB PRO 56 2HB PRO 56 9.711 -3.752 -1.323 443 2HB PRO 56 1HB PRO 56 10.774 -4.795 -0.358 444 1HG PRO 56 2HG PRO 56 8.448 -5.522 -2.061 445 2HG PRO 56 1HG PRO 56 9.984 -6.370 -1.823 446 1HD PRO 56 2HD PRO 56 7.642 -7.098 -0.629 447 2HD PRO 56 1HD PRO 56 9.246 -7.444 0.050 448 H TYR 57 H TYR 57 6.325 -4.764 0.274 449 HA TYR 57 HA TYR 57 5.747 -2.097 -0.841 450 1HB TYR 57 2HB TYR 57 4.204 -4.646 -0.322 451 2HB TYR 57 1HB TYR 57 3.421 -3.187 -0.933 452 HD1 TYR 57 1HD TYR 57 3.367 -2.802 -3.236 453 HD2 TYR 57 2HD TYR 57 6.382 -5.392 -1.613 454 HE1 TYR 57 1HE TYR 57 4.140 -3.338 -5.530 455 HE2 TYR 57 2HE TYR 57 7.156 -5.929 -3.905 456 HH TYR 57 HH TYR 57 5.370 -5.266 -6.649 457 H GLU 58 H GLU 58 5.013 -3.981 2.096 458 HA GLU 58 HA GLU 58 3.355 -1.841 3.240 459 1HB GLU 58 2HB GLU 58 3.243 -3.423 5.144 460 2HB GLU 58 1HB GLU 58 2.923 -4.244 3.618 461 1HG GLU 58 2HG GLU 58 4.550 -5.708 4.173 462 2HG GLU 58 1HG GLU 58 5.706 -4.403 3.913 463 H GLN 59 H GLN 59 6.737 -2.781 3.315 464 HA GLN 59 HA GLN 59 7.356 -1.226 5.735 465 1HB GLN 59 2HB GLN 59 9.055 -2.565 3.608 466 2HB GLN 59 1HB GLN 59 9.668 -1.915 5.128 467 1HG GLN 59 2HG GLN 59 7.438 -3.941 5.116 468 2HG GLN 59 1HG GLN 59 9.122 -4.455 5.016 469 1HE2 GLN 59 1HE2 GLN 59 6.780 -2.743 7.093 470 2HE2 GLN 59 2HE2 GLN 59 7.696 -2.877 8.516 471 H LYS 60 H LYS 60 6.705 -0.432 2.513 472 HA LYS 60 HA LYS 60 8.603 1.857 2.416 473 1HB LYS 60 2HB LYS 60 8.036 0.139 0.522 474 2HB LYS 60 1HB LYS 60 6.554 1.079 0.341 475 1HG LYS 60 2HG LYS 60 8.246 3.123 0.344 476 2HG LYS 60 1HG LYS 60 9.386 1.888 -0.191 477 1HD LYS 60 2HD LYS 60 7.621 1.234 -1.934 478 2HD LYS 60 1HD LYS 60 6.817 2.751 -1.527 479 1HE LYS 60 2HE LYS 60 8.706 4.052 -2.237 480 2HE LYS 60 1HE LYS 60 9.736 2.609 -2.347 481 1HZ LYS 60 1HZ LYS 60 8.834 3.258 -4.523 482 2HZ LYS 60 2HZ LYS 60 7.255 3.062 -3.924 483 3HZ LYS 60 3HZ LYS 60 8.294 1.722 -4.048 484 H ALA 61 H ALA 61 5.220 1.031 2.878 485 HA ALA 61 HA ALA 61 4.397 3.887 2.785 486 1HB ALA 61 1HB ALA 61 2.155 2.444 3.285 487 2HB ALA 61 2HB ALA 61 3.156 1.187 2.559 488 3HB ALA 61 3HB ALA 61 2.797 2.659 1.656 489 H ALA 62 H ALA 62 4.820 1.151 4.954 490 HA ALA 62 HA ALA 62 3.451 2.211 7.253 491 1HB ALA 62 1HB ALA 62 5.782 0.284 6.951 492 2HB ALA 62 2HB ALA 62 4.072 -0.148 6.984 493 3HB ALA 62 3HB ALA 62 4.847 0.496 8.432 494 H LYS 63 H LYS 63 6.840 2.462 6.116 495 HA LYS 63 HA LYS 63 7.653 4.065 8.437 496 1HB LYS 63 2HB LYS 63 9.055 2.422 7.087 497 2HB LYS 63 1HB LYS 63 9.060 3.618 5.791 498 1HG LYS 63 2HG LYS 63 10.244 5.200 7.105 499 2HG LYS 63 1HG LYS 63 9.921 4.319 8.599 500 1HD LYS 63 2HD LYS 63 12.153 3.748 8.111 501 2HD LYS 63 1HD LYS 63 11.238 2.378 7.482 502 1HE LYS 63 2HE LYS 63 12.653 2.881 5.672 503 2HE LYS 63 1HE LYS 63 11.203 3.816 5.256 504 1HZ LYS 63 1HZ LYS 63 13.193 5.205 5.178 505 2HZ LYS 63 2HZ LYS 63 13.528 4.837 6.802 506 3HZ LYS 63 3HZ LYS 63 12.136 5.725 6.398 507 H LEU 64 H LEU 64 5.898 4.752 5.616 508 HA LEU 64 HA LEU 64 6.937 7.539 5.394 509 1HB LEU 64 2HB LEU 64 5.517 5.562 3.678 510 2HB LEU 64 1HB LEU 64 5.098 7.258 3.426 511 HG LEU 64 HG LEU 64 7.936 6.192 3.452 512 1HD1 LEU 64 1HD1 LEU 64 6.653 7.221 0.968 513 2HD1 LEU 64 2HD1 LEU 64 6.158 5.618 1.511 514 3HD1 LEU 64 3HD1 LEU 64 7.857 5.948 1.168 515 1HD2 LEU 64 1HD2 LEU 64 8.195 8.492 2.226 516 2HD2 LEU 64 2HD2 LEU 64 8.052 8.477 3.983 517 3HD2 LEU 64 3HD2 LEU 64 6.652 8.878 2.987 518 H LYS 65 H LYS 65 4.235 5.647 6.534 519 HA LYS 65 HA LYS 65 2.282 7.815 6.579 520 1HB LYS 65 2HB LYS 65 1.666 5.441 6.412 521 2HB LYS 65 1HB LYS 65 2.464 5.103 7.948 522 1HG LYS 65 2HG LYS 65 0.842 6.301 9.185 523 2HG LYS 65 1HG LYS 65 0.248 7.144 7.755 524 1HD LYS 65 2HD LYS 65 -1.388 5.480 8.196 525 2HD LYS 65 1HD LYS 65 -0.424 4.821 6.874 526 1HE LYS 65 2HE LYS 65 0.733 3.324 8.310 527 2HE LYS 65 1HE LYS 65 0.229 4.204 9.766 528 1HZ LYS 65 1HZ LYS 65 -2.085 3.678 9.205 529 2HZ LYS 65 2HZ LYS 65 -1.168 2.271 9.462 530 3HZ LYS 65 3HZ LYS 65 -1.558 2.757 7.881 531 H GLU 66 H GLU 66 4.295 6.165 9.039 532 HA GLU 66 HA GLU 66 3.490 7.632 11.327 533 1HB GLU 66 2HB GLU 66 6.065 6.305 10.459 534 2HB GLU 66 1HB GLU 66 5.890 7.018 12.063 535 1HG GLU 66 2HG GLU 66 3.732 5.610 12.246 536 2HG GLU 66 1HG GLU 66 4.360 4.711 10.865 537 H LYS 67 H LYS 67 5.681 8.518 8.717 538 HA LYS 67 HA LYS 67 6.580 10.968 10.135 539 1HB LYS 67 2HB LYS 67 7.916 9.253 8.627 540 2HB LYS 67 1HB LYS 67 7.262 10.222 7.306 541 1HG LYS 67 2HG LYS 67 9.312 11.280 7.797 542 2HG LYS 67 1HG LYS 67 8.125 12.263 8.655 543 1HD LYS 67 2HD LYS 67 8.589 11.033 10.735 544 2HD LYS 67 1HD LYS 67 9.759 10.023 9.885 545 1HE LYS 67 2HE LYS 67 10.063 13.019 9.804 546 2HE LYS 67 1HE LYS 67 10.640 12.107 11.212 547 1HZ LYS 67 1HZ LYS 67 12.357 12.239 9.506 548 2HZ LYS 67 2HZ LYS 67 11.311 11.523 8.375 549 3HZ LYS 67 3HZ LYS 67 11.848 10.636 9.720 550 H TYR 68 H TYR 68 4.270 9.963 7.715 551 HA TYR 68 HA TYR 68 3.950 12.435 6.288 552 1HB TYR 68 2HB TYR 68 2.735 9.799 6.538 553 2HB TYR 68 1HB TYR 68 1.504 11.029 6.379 554 HD1 TYR 68 1HD TYR 68 0.758 11.156 4.167 555 HD2 TYR 68 2HD TYR 68 4.947 10.644 4.961 556 HE1 TYR 68 1HE TYR 68 1.240 11.296 1.735 557 HE2 TYR 68 2HE TYR 68 5.428 10.788 2.531 558 HH TYR 68 HH TYR 68 3.587 12.054 0.367 559 H GLU 69 H GLU 69 2.036 11.000 8.935 560 HA GLU 69 HA GLU 69 0.192 13.064 9.413 561 1HB GLU 69 2HB GLU 69 1.632 11.275 11.402 562 2HB GLU 69 1HB GLU 69 0.095 12.089 11.691 563 1HG GLU 69 2HG GLU 69 -0.636 10.869 9.473 564 2HG GLU 69 1HG GLU 69 0.702 9.788 9.860 565 H LYS 70 H LYS 70 3.529 12.778 10.575 566 HA LYS 70 HA LYS 70 3.448 15.218 12.190 567 1HB LYS 70 2HB LYS 70 5.617 13.386 11.115 568 2HB LYS 70 1HB LYS 70 5.978 14.785 12.125 569 1HG LYS 70 2HG LYS 70 4.866 13.882 13.992 570 2HG LYS 70 1HG LYS 70 3.952 12.738 13.009 571 1HD LYS 70 2HD LYS 70 6.326 11.793 12.397 572 2HD LYS 70 1HD LYS 70 6.824 12.608 13.880 573 1HE LYS 70 2HE LYS 70 4.428 10.761 13.837 574 2HE LYS 70 1HE LYS 70 6.070 10.155 14.130 575 1HZ LYS 70 1HZ LYS 70 4.783 12.389 15.609 576 2HZ LYS 70 2HZ LYS 70 6.335 11.761 15.897 577 3HZ LYS 70 3HZ LYS 70 4.960 10.811 16.203 578 H ASP 71 H ASP 71 4.598 14.230 9.015 579 HA ASP 71 HA ASP 71 5.787 16.671 8.124 580 1HB ASP 71 2HB ASP 71 4.699 14.158 7.007 581 2HB ASP 71 1HB ASP 71 4.693 15.509 5.878 582 H ILE 72 H ILE 72 2.500 15.407 7.503 583 HA ILE 72 HA ILE 72 1.478 17.799 6.297 584 HB ILE 72 HB ILE 72 0.376 15.283 7.541 585 1HG1 ILE 72 2HG1 ILE 72 1.326 15.273 5.255 586 2HG1 ILE 72 1HG1 ILE 72 -0.393 14.887 5.246 587 1HG2 ILE 72 1HG2 ILE 72 -1.273 17.670 6.659 588 2HG2 ILE 72 2HG2 ILE 72 -1.363 16.801 8.191 589 3HG2 ILE 72 3HG2 ILE 72 -1.924 16.031 6.707 590 1HD1 ILE 72 1HD1 ILE 72 0.918 17.506 4.479 591 2HD1 ILE 72 2HD1 ILE 72 -0.810 17.368 4.775 592 3HD1 ILE 72 3HD1 ILE 72 -0.065 16.456 3.466 593 H ALA 73 H ALA 73 1.745 16.770 9.665 594 HA ALA 73 HA ALA 73 -0.041 18.689 10.832 595 1HB ALA 73 1HB ALA 73 2.481 17.346 11.866 596 2HB ALA 73 2HB ALA 73 0.837 16.722 12.004 597 3HB ALA 73 3HB ALA 73 1.304 18.179 12.883 598 H ALA 74 H ALA 74 3.484 18.817 10.212 599 HA ALA 74 HA ALA 74 3.684 21.591 11.154 600 1HB ALA 74 1HB ALA 74 6.051 21.255 10.398 601 2HB ALA 74 2HB ALA 74 5.581 19.688 9.738 602 3HB ALA 74 3HB ALA 74 5.493 19.976 11.477 603 H TYR 75 H TYR 75 3.274 19.907 8.098 604 HA TYR 75 HA TYR 75 3.967 22.215 6.428 605 1HB TYR 75 2HB TYR 75 4.116 19.671 5.938 606 2HB TYR 75 1HB TYR 75 2.383 19.771 5.625 607 HD1 TYR 75 1HD TYR 75 5.716 21.014 4.572 608 HD2 TYR 75 2HD TYR 75 1.525 20.838 3.650 609 HE1 TYR 75 1HE TYR 75 6.176 21.908 2.305 610 HE2 TYR 75 2HE TYR 75 1.985 21.732 1.383 611 HH TYR 75 HH TYR 75 4.693 23.273 0.532 612 H ARG 76 H ARG 76 1.072 20.882 7.916 613 HA ARG 76 HA ARG 76 -0.862 22.290 6.280 614 1HB ARG 76 2HB ARG 76 -1.369 20.280 7.594 615 2HB ARG 76 1HB ARG 76 -0.977 21.133 9.087 616 1HG ARG 76 2HG ARG 76 -2.870 22.519 8.933 617 2HG ARG 76 1HG ARG 76 -3.085 22.194 7.214 618 1HD ARG 76 2HD ARG 76 -3.805 19.916 7.671 619 2HD ARG 76 1HD ARG 76 -3.438 20.109 9.397 620 HE ARG 76 HE ARG 76 -5.349 22.024 8.168 621 1HH1 ARG 76 1HH2 ARG 76 -4.693 21.325 11.155 622 2HH1 ARG 76 2HH2 ARG 76 -6.176 20.548 11.601 623 1HH2 ARG 76 1HH1 ARG 76 -7.266 20.168 8.330 624 2HH2 ARG 76 2HH1 ARG 76 -7.633 19.893 10.001 625 H ALA 77 H ALA 77 -0.299 22.852 9.772 626 HA ALA 77 HA ALA 77 -0.553 25.794 9.239 627 1HB ALA 77 1HB ALA 77 -1.431 25.778 11.626 628 2HB ALA 77 2HB ALA 77 -1.377 24.017 11.552 629 3HB ALA 77 3HB ALA 77 -2.436 24.914 10.463 630 H LYS 78 H LYS 78 1.500 26.649 9.352 631 HA LYS 78 HA LYS 78 3.214 25.855 11.684 632 1HB LYS 78 2HB LYS 78 3.733 25.022 9.236 633 2HB LYS 78 1HB LYS 78 4.333 26.664 9.012 634 1HG LYS 78 2HG LYS 78 5.249 25.387 11.509 635 2HG LYS 78 1HG LYS 78 5.812 24.584 10.045 636 1HD LYS 78 2HD LYS 78 6.489 26.909 9.206 637 2HD LYS 78 1HD LYS 78 6.232 27.464 10.861 638 1HE LYS 78 2HE LYS 78 7.899 25.013 10.533 639 2HE LYS 78 1HE LYS 78 8.628 26.553 10.038 640 1HZ LYS 78 1HZ LYS 78 8.015 27.514 12.147 641 2HZ LYS 78 2HZ LYS 78 8.938 26.114 12.421 642 3HZ LYS 78 3HZ LYS 78 7.251 26.079 12.628 Start of MODEL 30 1 1H MET 1 1HT MET 1 -3.430 16.247 -11.697 2 2H MET 1 2HT MET 1 -2.594 17.297 -10.657 3 3H MET 1 3HT MET 1 -2.959 15.715 -10.157 4 HA MET 1 HA MET 1 -1.490 14.820 -11.889 5 1HB MET 1 2HB MET 1 -1.406 17.778 -12.433 6 2HB MET 1 1HB MET 1 -0.040 16.767 -12.905 7 1HG MET 1 2HG MET 1 -2.875 16.049 -13.657 8 2HG MET 1 1HG MET 1 -1.890 17.112 -14.662 9 1HE MET 1 1HE MET 1 -2.720 15.417 -16.271 10 2HE MET 1 2HE MET 1 -3.064 13.884 -15.474 11 3HE MET 1 3HE MET 1 -1.825 13.960 -16.724 12 H LYS 2 H LYS 2 -0.706 17.836 -10.108 13 HA LYS 2 HA LYS 2 1.690 16.498 -8.944 14 1HB LYS 2 2HB LYS 2 0.697 19.339 -9.234 15 2HB LYS 2 1HB LYS 2 2.074 18.944 -8.203 16 1HG LYS 2 2HG LYS 2 3.155 17.827 -10.171 17 2HG LYS 2 1HG LYS 2 1.825 18.405 -11.176 18 1HD LYS 2 2HD LYS 2 2.379 20.720 -10.658 19 2HD LYS 2 1HD LYS 2 3.634 20.199 -9.532 20 1HE LYS 2 2HE LYS 2 4.818 19.073 -11.434 21 2HE LYS 2 1HE LYS 2 3.609 19.758 -12.538 22 1HZ LYS 2 1HZ LYS 2 5.306 21.314 -10.656 23 2HZ LYS 2 2HZ LYS 2 4.140 21.962 -11.708 24 3HZ LYS 2 3HZ LYS 2 5.535 21.221 -12.334 25 H LYS 3 H LYS 3 1.676 15.855 -6.824 26 HA LYS 3 HA LYS 3 -0.715 15.945 -5.217 27 1HB LYS 3 2HB LYS 3 0.825 14.985 -3.494 28 2HB LYS 3 1HB LYS 3 0.969 14.177 -5.054 29 1HG LYS 3 2HG LYS 3 2.801 16.312 -5.176 30 2HG LYS 3 1HG LYS 3 2.985 15.647 -3.554 31 1HD LYS 3 2HD LYS 3 2.935 13.892 -6.016 32 2HD LYS 3 1HD LYS 3 4.429 14.581 -5.380 33 1HE LYS 3 2HE LYS 3 4.171 13.424 -3.282 34 2HE LYS 3 1HE LYS 3 2.523 12.917 -3.702 35 1HZ LYS 3 1HZ LYS 3 4.975 12.204 -5.225 36 2HZ LYS 3 2HZ LYS 3 3.392 11.707 -5.589 37 3HZ LYS 3 3HZ LYS 3 4.150 11.164 -4.168 38 H ASP 4 H ASP 4 -1.148 18.303 -5.229 39 HA ASP 4 HA ASP 4 -1.119 20.442 -4.233 40 1HB ASP 4 2HB ASP 4 -0.453 18.398 -2.260 41 2HB ASP 4 1HB ASP 4 0.265 19.949 -1.832 42 HA PRO 5 HA PRO 5 2.783 22.374 -4.862 43 1HB PRO 5 2HB PRO 5 3.045 24.219 -2.861 44 2HB PRO 5 1HB PRO 5 1.902 24.410 -4.205 45 1HG PRO 5 2HG PRO 5 1.405 23.512 -1.413 46 2HG PRO 5 1HG PRO 5 0.416 24.538 -2.462 47 1HD PRO 5 2HD PRO 5 -0.106 21.900 -2.001 48 2HD PRO 5 1HD PRO 5 -0.580 22.753 -3.486 49 H ASN 6 H ASN 6 4.142 20.529 -4.423 50 HA ASN 6 HA ASN 6 5.823 19.312 -3.297 51 1HB ASN 6 2HB ASN 6 5.998 22.175 -2.499 52 2HB ASN 6 1HB ASN 6 6.983 21.035 -1.582 53 1HD2 ASN 6 1HD2 ASN 6 6.713 22.732 -4.595 54 2HD2 ASN 6 2HD2 ASN 6 8.050 22.020 -5.359 55 H ALA 7 H ALA 7 3.037 19.428 -2.071 56 HA ALA 7 HA ALA 7 3.716 19.023 0.814 57 1HB ALA 7 1HB ALA 7 1.782 20.509 -0.347 58 2HB ALA 7 2HB ALA 7 1.573 19.756 1.234 59 3HB ALA 7 3HB ALA 7 0.917 18.978 -0.207 60 HA PRO 8 HA PRO 8 3.060 14.723 0.213 61 1HB PRO 8 2HB PRO 8 2.700 13.936 2.790 62 2HB PRO 8 1HB PRO 8 4.268 14.324 2.064 63 1HG PRO 8 2HG PRO 8 2.737 15.814 4.022 64 2HG PRO 8 1HG PRO 8 4.414 15.944 3.513 65 1HD PRO 8 2HD PRO 8 2.234 17.643 2.769 66 2HD PRO 8 1HD PRO 8 3.952 17.792 2.354 67 H LYS 9 H LYS 9 1.149 14.037 -0.728 68 HA LYS 9 HA LYS 9 -1.457 14.626 0.552 69 1HB LYS 9 2HB LYS 9 -0.492 13.447 -2.059 70 2HB LYS 9 1HB LYS 9 -2.200 13.434 -1.619 71 1HG LYS 9 2HG LYS 9 -1.910 15.964 -1.181 72 2HG LYS 9 1HG LYS 9 -0.407 15.814 -2.090 73 1HD LYS 9 2HD LYS 9 -2.000 16.395 -3.735 74 2HD LYS 9 1HD LYS 9 -1.849 14.645 -3.894 75 1HE LYS 9 2HE LYS 9 -3.932 14.241 -2.909 76 2HE LYS 9 1HE LYS 9 -3.927 15.785 -2.035 77 1HZ LYS 9 1HZ LYS 9 -5.383 15.926 -3.950 78 2HZ LYS 9 2HZ LYS 9 -4.121 15.446 -4.982 79 3HZ LYS 9 3HZ LYS 9 -4.040 16.937 -4.172 80 H ARG 10 H ARG 10 -3.026 12.544 0.142 81 HA ARG 10 HA ARG 10 -2.767 10.697 2.142 82 1HB ARG 10 2HB ARG 10 -3.884 10.487 -0.651 83 2HB ARG 10 1HB ARG 10 -4.104 9.190 0.524 84 1HG ARG 10 2HG ARG 10 -4.983 10.998 2.120 85 2HG ARG 10 1HG ARG 10 -5.068 12.047 0.705 86 1HD ARG 10 2HD ARG 10 -7.219 11.108 0.710 87 2HD ARG 10 1HD ARG 10 -6.359 9.975 -0.351 88 HE ARG 10 HE ARG 10 -6.160 9.298 2.491 89 1HH1 ARG 10 1HH1 ARG 10 -6.075 7.232 0.376 90 2HH1 ARG 10 2HH1 ARG 10 -7.652 6.525 0.466 91 1HH2 ARG 10 1HH2 ARG 10 -9.018 9.155 2.266 92 2HH2 ARG 10 2HH2 ARG 10 -9.319 7.614 1.536 93 HA PRO 11 HA PRO 11 0.888 8.429 0.757 94 1HB PRO 11 2HB PRO 11 1.225 6.942 3.026 95 2HB PRO 11 1HB PRO 11 1.743 8.635 2.894 96 1HG PRO 11 2HG PRO 11 -0.654 7.484 4.213 97 2HG PRO 11 1HG PRO 11 0.352 8.858 4.694 98 1HD PRO 11 2HD PRO 11 -2.098 9.080 3.471 99 2HD PRO 11 1HD PRO 11 -0.834 10.327 3.425 100 HA PRO 12 HA PRO 12 -0.752 4.522 -0.470 101 1HB PRO 12 2HB PRO 12 1.323 2.769 -0.107 102 2HB PRO 12 1HB PRO 12 1.291 3.975 -1.406 103 1HG PRO 12 2HG PRO 12 2.710 4.045 1.208 104 2HG PRO 12 1HG PRO 12 3.257 4.582 -0.387 105 1HD PRO 12 2HD PRO 12 2.363 6.286 1.528 106 2HD PRO 12 1HD PRO 12 2.202 6.607 -0.212 107 H SER 13 H SER 13 -0.298 1.917 0.514 108 HA SER 13 HA SER 13 -0.473 1.745 3.403 109 1HB SER 13 2HB SER 13 -2.946 1.158 3.388 110 2HB SER 13 1HB SER 13 -2.587 2.851 3.059 111 HG SER 13 HG SER 13 -4.000 2.179 1.497 112 H ALA 14 H ALA 14 1.036 0.243 1.565 113 HA ALA 14 HA ALA 14 1.605 -1.998 1.174 114 1HB ALA 14 1HB ALA 14 -0.798 -3.237 2.296 115 2HB ALA 14 2HB ALA 14 -0.077 -2.076 3.411 116 3HB ALA 14 3HB ALA 14 0.885 -3.418 2.793 117 H PHE 15 H PHE 15 -1.983 -2.167 1.098 118 HA PHE 15 HA PHE 15 -2.125 -3.589 -1.356 119 1HB PHE 15 2HB PHE 15 -3.944 -3.322 0.313 120 2HB PHE 15 1HB PHE 15 -4.082 -1.619 -0.121 121 HD1 PHE 15 1HD PHE 15 -5.970 -1.201 -1.416 122 HD2 PHE 15 2HD PHE 15 -3.735 -4.809 -2.079 123 HE1 PHE 15 1HE PHE 15 -7.480 -1.792 -3.292 124 HE2 PHE 15 2HE PHE 15 -5.245 -5.400 -3.955 125 HZ PHE 15 HZ PHE 15 -7.118 -3.891 -4.562 126 H PHE 16 H PHE 16 -1.646 -0.170 -0.723 127 HA PHE 16 HA PHE 16 -2.406 0.777 -3.356 128 1HB PHE 16 2HB PHE 16 -2.069 1.961 -1.003 129 2HB PHE 16 1HB PHE 16 -0.414 2.160 -1.582 130 HD1 PHE 16 1HD PHE 16 -0.020 3.297 -3.817 131 HD2 PHE 16 2HD PHE 16 -3.833 3.316 -1.839 132 HE1 PHE 16 1HE PHE 16 -0.740 5.209 -5.223 133 HE2 PHE 16 2HE PHE 16 -4.552 5.229 -3.244 134 HZ PHE 16 HZ PHE 16 -3.006 6.175 -4.936 135 H LEU 17 H LEU 17 0.608 -0.385 -1.894 136 HA LEU 17 HA LEU 17 2.395 0.407 -4.018 137 1HB LEU 17 2HB LEU 17 2.332 -1.677 -1.838 138 2HB LEU 17 1HB LEU 17 3.616 -1.733 -3.040 139 HG LEU 17 HG LEU 17 4.317 -0.453 -1.050 140 1HD1 LEU 17 1HD1 LEU 17 3.874 1.533 -3.275 141 2HD1 LEU 17 2HD1 LEU 17 4.980 0.172 -3.469 142 3HD1 LEU 17 3HD1 LEU 17 5.267 1.370 -2.206 143 1HD2 LEU 17 1HD2 LEU 17 3.212 1.637 -0.459 144 2HD2 LEU 17 2HD2 LEU 17 2.025 0.333 -0.434 145 3HD2 LEU 17 3HD2 LEU 17 2.078 1.452 -1.796 146 H PHE 18 H PHE 18 1.512 -2.938 -3.323 147 HA PHE 18 HA PHE 18 1.871 -4.297 -5.649 148 1HB PHE 18 2HB PHE 18 0.897 -5.249 -3.623 149 2HB PHE 18 1HB PHE 18 -0.598 -4.353 -3.882 150 HD1 PHE 18 1HD PHE 18 -2.323 -5.240 -5.229 151 HD2 PHE 18 2HD PHE 18 1.607 -6.967 -5.393 152 HE1 PHE 18 1HE PHE 18 -3.200 -7.100 -6.615 153 HE2 PHE 18 2HE PHE 18 0.730 -8.828 -6.779 154 HZ PHE 18 HZ PHE 18 -1.675 -8.897 -7.389 155 H CYS 19 H CYS 19 -1.266 -2.551 -5.092 156 HA CYS 19 HA CYS 19 -2.198 -2.901 -7.769 157 1HB CYS 19 2HB CYS 19 -3.553 -2.324 -5.751 158 2HB CYS 19 1HB CYS 19 -2.828 -0.716 -5.763 159 HG CYS 19 HG CYS 19 -3.891 -0.733 -8.379 160 H SER 20 H SER 20 -0.425 -0.212 -6.246 161 HA SER 20 HA SER 20 -0.497 1.648 -8.381 162 1HB SER 20 2HB SER 20 0.341 2.231 -6.197 163 2HB SER 20 1HB SER 20 1.608 1.015 -6.296 164 HG SER 20 HG SER 20 2.165 3.293 -6.811 165 H GLU 21 H GLU 21 1.549 -1.229 -7.971 166 HA GLU 21 HA GLU 21 3.171 -0.503 -10.332 167 1HB GLU 21 2HB GLU 21 4.414 -2.551 -9.712 168 2HB GLU 21 1HB GLU 21 4.209 -1.478 -8.329 169 1HG GLU 21 2HG GLU 21 2.549 -2.844 -7.362 170 2HG GLU 21 1HG GLU 21 2.245 -3.698 -8.875 171 H HIS 22 H HIS 22 0.453 -2.670 -9.549 172 HA HIS 22 HA HIS 22 0.703 -3.980 -12.211 173 1HB HIS 22 2HB HIS 22 -0.950 -4.448 -9.714 174 2HB HIS 22 1HB HIS 22 -1.156 -5.388 -11.190 175 HD1 HIS 22 1HD HIS 22 1.286 -6.440 -12.094 176 HD2 HIS 22 2HD HIS 22 0.906 -5.577 -8.033 177 HE1 HIS 22 1HE HIS 22 3.080 -7.777 -10.905 178 H ARG 23 H ARG 23 -0.416 -1.103 -11.451 179 HA ARG 23 HA ARG 23 -3.219 -1.273 -12.254 180 1HB ARG 23 2HB ARG 23 -2.330 0.365 -10.625 181 2HB ARG 23 1HB ARG 23 -1.358 1.094 -11.896 182 1HG ARG 23 2HG ARG 23 -3.195 2.465 -12.056 183 2HG ARG 23 1HG ARG 23 -3.744 1.172 -13.124 184 1HD ARG 23 2HD ARG 23 -5.581 1.296 -11.703 185 2HD ARG 23 1HD ARG 23 -4.591 0.145 -10.783 186 HE ARG 23 HE ARG 23 -4.036 1.891 -9.251 187 1HH1 ARG 23 1HH2 ARG 23 -6.893 2.752 -9.908 188 2HH1 ARG 23 2HH2 ARG 23 -6.670 4.445 -10.199 189 1HH2 ARG 23 1HH1 ARG 23 -3.228 4.203 -10.543 190 2HH2 ARG 23 2HH1 ARG 23 -4.595 5.267 -10.559 191 HA PRO 24 HA PRO 24 -1.550 0.678 -16.275 192 1HB PRO 24 2HB PRO 24 1.112 0.484 -16.854 193 2HB PRO 24 1HB PRO 24 0.410 1.860 -15.981 194 1HG PRO 24 2HG PRO 24 1.935 -0.461 -14.941 195 2HG PRO 24 1HG PRO 24 1.932 1.224 -14.403 196 1HD PRO 24 2HD PRO 24 0.604 -0.818 -13.142 197 2HD PRO 24 1HD PRO 24 0.180 0.900 -13.002 198 H LYS 25 H LYS 25 -0.737 -2.360 -14.970 199 HA LYS 25 HA LYS 25 -0.057 -3.636 -17.546 200 1HB LYS 25 2HB LYS 25 0.899 -4.114 -15.188 201 2HB LYS 25 1HB LYS 25 -0.623 -4.953 -14.886 202 1HG LYS 25 2HG LYS 25 -0.187 -6.599 -16.486 203 2HG LYS 25 1HG LYS 25 0.948 -5.580 -17.370 204 1HD LYS 25 2HD LYS 25 2.604 -5.796 -15.615 205 2HD LYS 25 1HD LYS 25 1.459 -6.651 -14.581 206 1HE LYS 25 2HE LYS 25 1.518 -8.599 -15.915 207 2HE LYS 25 1HE LYS 25 2.168 -7.725 -17.316 208 1HZ LYS 25 1HZ LYS 25 3.911 -8.955 -16.138 209 2HZ LYS 25 2HZ LYS 25 3.569 -8.086 -14.719 210 3HZ LYS 25 3HZ LYS 25 4.186 -7.282 -16.082 211 H ILE 26 H ILE 26 -2.726 -3.580 -15.182 212 HA ILE 26 HA ILE 26 -4.360 -5.536 -16.564 213 HB ILE 26 HB ILE 26 -5.044 -3.347 -14.573 214 1HG1 ILE 26 2HG1 ILE 26 -3.303 -4.905 -13.763 215 2HG1 ILE 26 1HG1 ILE 26 -4.813 -5.139 -12.888 216 1HG2 ILE 26 1HG2 ILE 26 -7.146 -4.001 -15.243 217 2HG2 ILE 26 2HG2 ILE 26 -6.834 -5.283 -14.073 218 3HG2 ILE 26 3HG2 ILE 26 -6.594 -5.583 -15.794 219 1HD1 ILE 26 1HD1 ILE 26 -3.943 -7.324 -13.463 220 2HD1 ILE 26 2HD1 ILE 26 -3.730 -6.847 -15.147 221 3HD1 ILE 26 3HD1 ILE 26 -5.353 -7.022 -14.479 222 H LYS 27 H LYS 27 -3.808 -2.112 -16.987 223 HA LYS 27 HA LYS 27 -6.279 -1.595 -18.488 224 1HB LYS 27 2HB LYS 27 -3.720 -0.141 -17.833 225 2HB LYS 27 1HB LYS 27 -4.856 0.533 -19.001 226 1HG LYS 27 2HG LYS 27 -6.643 0.069 -17.147 227 2HG LYS 27 1HG LYS 27 -5.251 0.026 -16.064 228 1HD LYS 27 2HD LYS 27 -4.808 2.266 -16.318 229 2HD LYS 27 1HD LYS 27 -5.387 2.299 -17.983 230 1HE LYS 27 2HE LYS 27 -7.440 1.737 -15.898 231 2HE LYS 27 1HE LYS 27 -6.802 3.392 -15.962 232 1HZ LYS 27 1HZ LYS 27 -7.174 3.377 -18.370 233 2HZ LYS 27 2HZ LYS 27 -8.625 3.162 -17.514 234 3HZ LYS 27 3HZ LYS 27 -7.870 1.835 -18.258 235 H SER 28 H SER 28 -3.120 -2.880 -19.214 236 HA SER 28 HA SER 28 -3.067 -2.151 -22.038 237 1HB SER 28 2HB SER 28 -1.156 -2.798 -20.403 238 2HB SER 28 1HB SER 28 -1.638 -4.463 -20.716 239 HG SER 28 HG SER 28 -0.955 -4.295 -22.736 240 H GLU 29 H GLU 29 -3.806 -5.143 -20.233 241 HA GLU 29 HA GLU 29 -4.764 -6.513 -22.662 242 1HB GLU 29 2HB GLU 29 -4.643 -7.219 -19.715 243 2HB GLU 29 1HB GLU 29 -5.168 -8.339 -20.972 244 1HG GLU 29 2HG GLU 29 -2.930 -7.831 -22.130 245 2HG GLU 29 1HG GLU 29 -2.438 -7.103 -20.600 246 H HIS 30 H HIS 30 -6.148 -4.131 -20.915 247 HA HIS 30 HA HIS 30 -8.886 -5.003 -21.573 248 1HB HIS 30 2HB HIS 30 -8.018 -4.299 -18.747 249 2HB HIS 30 1HB HIS 30 -9.676 -4.585 -19.255 250 HD1 HIS 30 1HD HIS 30 -10.402 -7.022 -19.677 251 HD2 HIS 30 2HD HIS 30 -6.391 -6.646 -18.625 252 HE1 HIS 30 1HE HIS 30 -9.580 -9.361 -19.151 253 HA PRO 31 HA PRO 31 -7.883 -0.520 -22.167 254 1HB PRO 31 2HB PRO 31 -9.285 -0.282 -24.522 255 2HB PRO 31 1HB PRO 31 -7.589 -0.804 -24.448 256 1HG PRO 31 2HG PRO 31 -10.066 -2.459 -24.683 257 2HG PRO 31 1HG PRO 31 -8.522 -2.617 -25.540 258 1HD PRO 31 2HD PRO 31 -9.148 -4.200 -23.451 259 2HD PRO 31 1HD PRO 31 -7.480 -3.654 -23.749 260 H GLY 32 H GLY 32 -9.184 0.456 -20.654 261 1HA GLY 32 2HA GLY 32 -11.288 1.792 -20.460 262 2HA GLY 32 1HA GLY 32 -12.140 0.395 -21.119 263 H LEU 33 H LEU 33 -10.234 -1.343 -19.404 264 HA LEU 33 HA LEU 33 -11.880 -2.117 -17.331 265 1HB LEU 33 2HB LEU 33 -9.482 -2.831 -18.250 266 2HB LEU 33 1HB LEU 33 -8.932 -1.954 -16.829 267 HG LEU 33 HG LEU 33 -9.232 -4.352 -16.338 268 1HD1 LEU 33 1HD1 LEU 33 -9.694 -2.567 -14.616 269 2HD1 LEU 33 2HD1 LEU 33 -10.518 -4.099 -14.331 270 3HD1 LEU 33 3HD1 LEU 33 -11.408 -2.731 -15.000 271 1HD2 LEU 33 1HD2 LEU 33 -11.180 -5.527 -16.740 272 2HD2 LEU 33 2HD2 LEU 33 -11.275 -4.362 -18.061 273 3HD2 LEU 33 3HD2 LEU 33 -12.199 -4.097 -16.582 274 H SER 34 H SER 34 -12.765 -0.993 -15.705 275 HA SER 34 HA SER 34 -11.590 1.510 -14.690 276 1HB SER 34 2HB SER 34 -13.716 1.456 -13.345 277 2HB SER 34 1HB SER 34 -13.978 1.308 -15.077 278 HG SER 34 HG SER 34 -14.680 -0.370 -13.151 279 H ILE 35 H ILE 35 -11.971 1.645 -12.105 280 HA ILE 35 HA ILE 35 -10.051 -0.227 -10.922 281 HB ILE 35 HB ILE 35 -11.762 2.008 -9.761 282 1HG1 ILE 35 2HG1 ILE 35 -8.837 2.054 -10.555 283 2HG1 ILE 35 1HG1 ILE 35 -10.132 2.620 -11.610 284 1HG2 ILE 35 1HG2 ILE 35 -10.988 0.548 -7.988 285 2HG2 ILE 35 2HG2 ILE 35 -9.988 2.002 -7.973 286 3HG2 ILE 35 3HG2 ILE 35 -9.363 0.507 -8.672 287 1HD1 ILE 35 1HD1 ILE 35 -10.852 4.191 -9.799 288 2HD1 ILE 35 2HD1 ILE 35 -9.228 4.525 -10.397 289 3HD1 ILE 35 3HD1 ILE 35 -9.447 3.691 -8.859 290 H GLY 36 H GLY 36 -13.350 -0.468 -11.575 291 1HA GLY 36 2HA GLY 36 -14.010 -1.950 -9.093 292 2HA GLY 36 1HA GLY 36 -15.149 -1.522 -10.373 293 H ASP 37 H ASP 37 -12.030 -2.886 -11.106 294 HA ASP 37 HA ASP 37 -13.067 -5.623 -11.443 295 1HB ASP 37 2HB ASP 37 -12.513 -3.641 -13.618 296 2HB ASP 37 1HB ASP 37 -12.095 -5.328 -13.915 297 H THR 38 H THR 38 -10.358 -3.479 -12.482 298 HA THR 38 HA THR 38 -8.348 -5.524 -12.227 299 HB THR 38 HB THR 38 -8.202 -3.451 -13.614 300 HG1 THR 38 1HG THR 38 -6.200 -3.602 -11.617 301 1HG2 THR 38 1HG2 THR 38 -8.010 -1.312 -12.728 302 2HG2 THR 38 2HG2 THR 38 -7.521 -1.903 -11.140 303 3HG2 THR 38 3HG2 THR 38 -9.203 -2.041 -11.653 304 H ALA 39 H ALA 39 -9.647 -3.103 -10.015 305 HA ALA 39 HA ALA 39 -7.675 -3.494 -7.912 306 1HB ALA 39 1HB ALA 39 -9.010 -1.938 -6.759 307 2HB ALA 39 2HB ALA 39 -10.499 -2.531 -7.494 308 3HB ALA 39 3HB ALA 39 -9.378 -1.554 -8.441 309 H LYS 40 H LYS 40 -10.761 -4.925 -8.789 310 HA LYS 40 HA LYS 40 -11.177 -6.420 -6.332 311 1HB LYS 40 2HB LYS 40 -12.247 -6.355 -9.135 312 2HB LYS 40 1HB LYS 40 -12.608 -7.770 -8.145 313 1HG LYS 40 2HG LYS 40 -13.468 -6.247 -6.360 314 2HG LYS 40 1HG LYS 40 -13.217 -4.883 -7.450 315 1HD LYS 40 2HD LYS 40 -15.484 -5.431 -7.784 316 2HD LYS 40 1HD LYS 40 -14.668 -6.234 -9.126 317 1HE LYS 40 2HE LYS 40 -14.774 -8.371 -8.039 318 2HE LYS 40 1HE LYS 40 -15.266 -7.634 -6.501 319 1HZ LYS 40 1HZ LYS 40 -16.798 -7.475 -9.043 320 2HZ LYS 40 2HZ LYS 40 -17.263 -6.807 -7.553 321 3HZ LYS 40 3HZ LYS 40 -17.179 -8.493 -7.743 322 H LYS 41 H LYS 41 -9.798 -7.136 -9.525 323 HA LYS 41 HA LYS 41 -9.104 -9.889 -8.988 324 1HB LYS 41 2HB LYS 41 -9.294 -8.564 -11.206 325 2HB LYS 41 1HB LYS 41 -7.658 -8.001 -10.858 326 1HG LYS 41 2HG LYS 41 -6.977 -10.427 -10.612 327 2HG LYS 41 1HG LYS 41 -8.571 -10.864 -11.230 328 1HD LYS 41 2HD LYS 41 -8.089 -9.442 -13.256 329 2HD LYS 41 1HD LYS 41 -6.440 -9.253 -12.660 330 1HE LYS 41 2HE LYS 41 -6.350 -11.831 -12.574 331 2HE LYS 41 1HE LYS 41 -7.812 -11.787 -13.581 332 1HZ LYS 41 1HZ LYS 41 -5.811 -11.787 -14.952 333 2HZ LYS 41 2HZ LYS 41 -5.262 -10.379 -14.177 334 3HZ LYS 41 3HZ LYS 41 -6.666 -10.333 -15.132 335 H LEU 42 H LEU 42 -7.135 -6.899 -8.991 336 HA LEU 42 HA LEU 42 -4.650 -7.894 -8.162 337 1HB LEU 42 2HB LEU 42 -6.181 -5.375 -8.028 338 2HB LEU 42 1HB LEU 42 -4.881 -5.492 -6.847 339 HG LEU 42 HG LEU 42 -3.290 -6.044 -8.660 340 1HD1 LEU 42 1HD1 LEU 42 -3.894 -6.166 -10.913 341 2HD1 LEU 42 2HD1 LEU 42 -5.378 -5.245 -10.668 342 3HD1 LEU 42 3HD1 LEU 42 -5.286 -6.925 -10.141 343 1HD2 LEU 42 1HD2 LEU 42 -3.025 -3.830 -9.342 344 2HD2 LEU 42 2HD2 LEU 42 -4.046 -3.648 -7.915 345 3HD2 LEU 42 3HD2 LEU 42 -4.761 -3.576 -9.526 346 H GLY 43 H GLY 43 -7.191 -6.607 -5.967 347 1HA GLY 43 2HA GLY 43 -5.952 -7.206 -3.514 348 2HA GLY 43 1HA GLY 43 -7.703 -7.162 -3.735 349 H GLU 44 H GLU 44 -7.588 -9.350 -5.754 350 HA GLU 44 HA GLU 44 -7.826 -11.615 -3.941 351 1HB GLU 44 2HB GLU 44 -9.049 -11.095 -6.167 352 2HB GLU 44 1HB GLU 44 -7.587 -11.685 -6.959 353 1HG GLU 44 2HG GLU 44 -7.796 -13.836 -5.799 354 2HG GLU 44 1HG GLU 44 -9.226 -13.253 -4.947 355 H MET 45 H MET 45 -5.404 -10.385 -6.201 356 HA MET 45 HA MET 45 -3.631 -12.707 -5.900 357 1HB MET 45 2HB MET 45 -3.583 -10.023 -7.280 358 2HB MET 45 1HB MET 45 -2.125 -11.014 -7.199 359 1HG MET 45 2HG MET 45 -3.345 -12.892 -8.244 360 2HG MET 45 1HG MET 45 -4.794 -11.891 -8.342 361 1HE MET 45 1HE MET 45 -5.293 -12.001 -10.523 362 2HE MET 45 2HE MET 45 -4.009 -13.025 -11.162 363 3HE MET 45 3HE MET 45 -4.365 -11.484 -11.938 364 H TRP 46 H TRP 46 -3.789 -9.329 -4.745 365 HA TRP 46 HA TRP 46 -1.302 -9.110 -3.412 366 1HB TRP 46 2HB TRP 46 -2.842 -7.259 -3.719 367 2HB TRP 46 1HB TRP 46 -4.073 -8.048 -2.741 368 HD1 TRP 46 HD TRP 46 -4.185 -7.010 -0.413 369 HE1 TRP 46 1HE TRP 46 -2.487 -6.009 1.250 370 HE3 TRP 46 3HE TRP 46 0.083 -7.530 -3.124 371 HZ2 TRP 46 2HZ TRP 46 0.332 -5.501 1.399 372 HZ3 TRP 46 3HZ TRP 46 2.266 -6.790 -2.214 373 HH2 TRP 46 HH TRP 46 2.392 -5.780 0.038 374 H SER 47 H SER 47 -4.408 -10.363 -2.121 375 HA SER 47 HA SER 47 -3.410 -11.097 0.465 376 1HB SER 47 2HB SER 47 -5.819 -10.839 -0.504 377 2HB SER 47 1HB SER 47 -5.625 -12.512 -1.019 378 HG SER 47 HG SER 47 -6.342 -12.809 0.968 379 H GLU 48 H GLU 48 -2.745 -12.467 -2.617 380 HA GLU 48 HA GLU 48 -2.159 -15.148 -1.488 381 1HB GLU 48 2HB GLU 48 -2.627 -13.932 -4.202 382 2HB GLU 48 1HB GLU 48 -1.796 -15.479 -4.067 383 1HG GLU 48 2HG GLU 48 -3.747 -16.246 -2.604 384 2HG GLU 48 1HG GLU 48 -4.588 -14.791 -3.140 385 H GLN 49 H GLN 49 -0.597 -12.168 -2.308 386 HA GLN 49 HA GLN 49 1.920 -13.154 -3.264 387 1HB GLN 49 2HB GLN 49 1.207 -10.680 -1.643 388 2HB GLN 49 1HB GLN 49 2.700 -10.898 -2.551 389 1HG GLN 49 2HG GLN 49 -0.087 -10.868 -3.734 390 2HG GLN 49 1HG GLN 49 1.077 -9.553 -3.828 391 1HE2 GLN 49 1HE2 GLN 49 -0.074 -11.111 -6.098 392 2HE2 GLN 49 2HE2 GLN 49 1.249 -11.815 -6.895 393 H SER 50 H SER 50 3.753 -13.776 -2.112 394 HA SER 50 HA SER 50 3.345 -14.458 0.749 395 1HB SER 50 2HB SER 50 5.283 -15.921 0.343 396 2HB SER 50 1HB SER 50 4.102 -16.139 -0.945 397 HG SER 50 HG SER 50 5.508 -15.385 -2.309 398 H ALA 51 H ALA 51 6.673 -14.086 0.065 399 HA ALA 51 HA ALA 51 6.681 -11.454 1.477 400 1HB ALA 51 1HB ALA 51 9.113 -12.215 1.883 401 2HB ALA 51 2HB ALA 51 8.615 -13.766 1.208 402 3HB ALA 51 3HB ALA 51 7.849 -13.156 2.674 403 H LYS 52 H LYS 52 7.502 -13.025 -1.527 404 HA LYS 52 HA LYS 52 9.549 -11.276 -2.491 405 1HB LYS 52 2HB LYS 52 8.543 -13.546 -3.349 406 2HB LYS 52 1HB LYS 52 7.439 -12.505 -4.249 407 1HG LYS 52 2HG LYS 52 9.478 -11.275 -5.124 408 2HG LYS 52 1HG LYS 52 10.461 -12.555 -4.412 409 1HD LYS 52 2HD LYS 52 9.303 -14.236 -5.768 410 2HD LYS 52 1HD LYS 52 8.254 -12.991 -6.446 411 1HE LYS 52 2HE LYS 52 10.347 -11.828 -7.302 412 2HE LYS 52 1HE LYS 52 11.248 -13.284 -6.836 413 1HZ LYS 52 1HZ LYS 52 8.863 -13.226 -8.611 414 2HZ LYS 52 2HZ LYS 52 9.730 -14.616 -8.157 415 3HZ LYS 52 3HZ LYS 52 10.465 -13.432 -9.130 416 H ASP 53 H ASP 53 5.993 -11.156 -2.965 417 HA ASP 53 HA ASP 53 6.303 -8.285 -3.796 418 1HB ASP 53 2HB ASP 53 4.791 -10.615 -4.823 419 2HB ASP 53 1HB ASP 53 3.892 -9.098 -4.776 420 H LYS 54 H LYS 54 6.161 -8.448 -1.178 421 HA LYS 54 HA LYS 54 3.616 -7.276 -0.462 422 1HB LYS 54 2HB LYS 54 3.606 -9.986 -0.588 423 2HB LYS 54 1HB LYS 54 4.093 -9.747 1.084 424 1HG LYS 54 2HG LYS 54 2.117 -8.073 1.210 425 2HG LYS 54 1HG LYS 54 1.574 -8.805 -0.294 426 1HD LYS 54 2HD LYS 54 0.446 -9.984 1.438 427 2HD LYS 54 1HD LYS 54 1.739 -11.050 0.891 428 1HE LYS 54 2HE LYS 54 3.097 -9.749 2.814 429 2HE LYS 54 1HE LYS 54 1.461 -9.606 3.486 430 1HZ LYS 54 1HZ LYS 54 2.744 -12.114 2.537 431 2HZ LYS 54 2HZ LYS 54 1.151 -11.984 3.113 432 3HZ LYS 54 3HZ LYS 54 2.460 -11.698 4.156 433 H GLN 55 H GLN 55 6.703 -8.659 0.598 434 HA GLN 55 HA GLN 55 6.627 -7.492 3.262 435 1HB GLN 55 2HB GLN 55 8.522 -8.975 1.503 436 2HB GLN 55 1HB GLN 55 9.219 -8.058 2.838 437 1HG GLN 55 2HG GLN 55 6.931 -10.014 3.173 438 2HG GLN 55 1HG GLN 55 8.624 -10.447 3.413 439 1HE2 GLN 55 1HE2 GLN 55 5.870 -9.040 4.934 440 2HE2 GLN 55 2HE2 GLN 55 6.651 -8.480 6.333 441 HA PRO 56 HA PRO 56 9.611 -4.271 1.379 442 1HB PRO 56 2HB PRO 56 9.821 -4.074 -1.339 443 2HB PRO 56 1HB PRO 56 10.868 -5.117 -0.358 444 1HG PRO 56 2HG PRO 56 8.503 -5.826 -2.011 445 2HG PRO 56 1HG PRO 56 10.012 -6.716 -1.755 446 1HD PRO 56 2HD PRO 56 7.653 -7.313 -0.523 447 2HD PRO 56 1HD PRO 56 9.247 -7.713 0.149 448 H TYR 57 H TYR 57 6.465 -4.961 0.143 449 HA TYR 57 HA TYR 57 5.972 -2.236 -0.869 450 1HB TYR 57 2HB TYR 57 4.334 -4.758 -0.514 451 2HB TYR 57 1HB TYR 57 3.634 -3.257 -1.116 452 HD1 TYR 57 1HD TYR 57 5.737 -2.147 -2.832 453 HD2 TYR 57 2HD TYR 57 4.489 -6.228 -2.327 454 HE1 TYR 57 1HE TYR 57 6.568 -2.682 -5.105 455 HE2 TYR 57 2HE TYR 57 5.320 -6.759 -4.602 456 HH TYR 57 HH TYR 57 5.814 -5.618 -6.692 457 H GLU 58 H GLU 58 5.167 -4.203 1.986 458 HA GLU 58 HA GLU 58 3.384 -2.213 3.147 459 1HB GLU 58 2HB GLU 58 3.534 -3.729 5.113 460 2HB GLU 58 1HB GLU 58 3.222 -4.617 3.624 461 1HG GLU 58 2HG GLU 58 5.173 -5.751 3.769 462 2HG GLU 58 1HG GLU 58 6.086 -4.290 4.134 463 H GLN 59 H GLN 59 6.842 -2.710 3.123 464 HA GLN 59 HA GLN 59 7.413 -1.153 5.528 465 1HB GLN 59 2HB GLN 59 8.960 -2.297 3.203 466 2HB GLN 59 1HB GLN 59 9.754 -1.249 4.379 467 1HG GLN 59 2HG GLN 59 9.467 -2.765 6.126 468 2HG GLN 59 1HG GLN 59 8.088 -3.548 5.355 469 1HE2 GLN 59 1HE2 GLN 59 11.479 -2.886 4.284 470 2HE2 GLN 59 2HE2 GLN 59 11.791 -4.485 3.808 471 H LYS 60 H LYS 60 8.353 -0.509 2.131 472 HA LYS 60 HA LYS 60 8.972 2.191 2.283 473 1HB LYS 60 2HB LYS 60 9.038 0.503 0.341 474 2HB LYS 60 1HB LYS 60 7.375 0.993 0.017 475 1HG LYS 60 2HG LYS 60 8.185 3.383 -0.067 476 2HG LYS 60 1HG LYS 60 9.834 2.762 0.019 477 1HD LYS 60 2HD LYS 60 9.236 1.311 -2.005 478 2HD LYS 60 1HD LYS 60 7.789 2.309 -2.161 479 1HE LYS 60 2HE LYS 60 10.532 3.569 -1.967 480 2HE LYS 60 1HE LYS 60 9.855 3.053 -3.525 481 1HZ LYS 60 1HZ LYS 60 7.861 4.333 -3.045 482 2HZ LYS 60 2HZ LYS 60 9.229 5.340 -3.026 483 3HZ LYS 60 3HZ LYS 60 8.516 4.844 -1.566 484 H ALA 61 H ALA 61 5.740 0.792 2.385 485 HA ALA 61 HA ALA 61 4.422 3.417 2.002 486 1HB ALA 61 1HB ALA 61 3.748 0.905 1.317 487 2HB ALA 61 2HB ALA 61 2.527 2.125 1.680 488 3HB ALA 61 3HB ALA 61 2.996 0.953 2.911 489 H ALA 62 H ALA 62 5.047 1.018 4.537 490 HA ALA 62 HA ALA 62 3.510 2.154 6.650 491 1HB ALA 62 1HB ALA 62 5.377 0.974 8.033 492 2HB ALA 62 2HB ALA 62 6.026 0.496 6.463 493 3HB ALA 62 3HB ALA 62 4.408 -0.016 6.941 494 H LYS 63 H LYS 63 6.954 2.697 5.787 495 HA LYS 63 HA LYS 63 7.359 4.738 7.815 496 1HB LYS 63 2HB LYS 63 8.992 3.148 6.496 497 2HB LYS 63 1HB LYS 63 8.986 4.446 5.302 498 1HG LYS 63 2HG LYS 63 9.716 6.053 6.994 499 2HG LYS 63 1HG LYS 63 9.641 4.808 8.241 500 1HD LYS 63 2HD LYS 63 11.268 3.503 6.641 501 2HD LYS 63 1HD LYS 63 11.599 5.105 5.982 502 1HE LYS 63 2HE LYS 63 12.576 5.866 7.955 503 2HE LYS 63 1HE LYS 63 11.655 4.732 8.965 504 1HZ LYS 63 1HZ LYS 63 13.723 3.933 6.986 505 2HZ LYS 63 2HZ LYS 63 12.888 2.904 8.050 506 3HZ LYS 63 3HZ LYS 63 13.992 4.044 8.656 507 H LEU 64 H LEU 64 5.729 4.784 4.807 508 HA LEU 64 HA LEU 64 6.299 7.651 4.278 509 1HB LEU 64 2HB LEU 64 5.139 5.296 2.864 510 2HB LEU 64 1HB LEU 64 4.498 6.876 2.411 511 HG LEU 64 HG LEU 64 7.455 6.220 2.505 512 1HD1 LEU 64 1HD1 LEU 64 5.801 5.094 0.723 513 2HD1 LEU 64 2HD1 LEU 64 7.405 5.666 0.267 514 3HD1 LEU 64 3HD1 LEU 64 5.988 6.664 -0.058 515 1HD2 LEU 64 1HD2 LEU 64 5.801 8.591 1.636 516 2HD2 LEU 64 2HD2 LEU 64 7.418 8.325 0.983 517 3HD2 LEU 64 3HD2 LEU 64 7.194 8.559 2.717 518 H LYS 65 H LYS 65 3.758 5.474 5.388 519 HA LYS 65 HA LYS 65 1.611 7.421 5.385 520 1HB LYS 65 2HB LYS 65 1.341 4.949 5.324 521 2HB LYS 65 1HB LYS 65 2.006 4.851 6.955 522 1HG LYS 65 2HG LYS 65 0.147 6.434 7.677 523 2HG LYS 65 1HG LYS 65 -0.576 6.172 6.089 524 1HD LYS 65 2HD LYS 65 -0.774 3.795 6.502 525 2HD LYS 65 1HD LYS 65 0.135 3.934 8.007 526 1HE LYS 65 2HE LYS 65 -1.641 5.291 9.006 527 2HE LYS 65 1HE LYS 65 -2.541 5.278 7.476 528 1HZ LYS 65 1HZ LYS 65 -1.745 2.871 9.029 529 2HZ LYS 65 2HZ LYS 65 -2.602 2.867 7.563 530 3HZ LYS 65 3HZ LYS 65 -3.311 3.517 8.963 531 H GLU 66 H GLU 66 3.542 5.983 8.040 532 HA GLU 66 HA GLU 66 2.549 7.649 10.136 533 1HB GLU 66 2HB GLU 66 3.865 5.506 10.307 534 2HB GLU 66 1HB GLU 66 5.306 6.413 9.843 535 1HG GLU 66 2HG GLU 66 5.422 6.464 12.183 536 2HG GLU 66 1HG GLU 66 4.632 7.998 11.812 537 H LYS 67 H LYS 67 5.085 8.170 7.742 538 HA LYS 67 HA LYS 67 6.238 10.517 9.033 539 1HB LYS 67 2HB LYS 67 7.439 9.004 7.479 540 2HB LYS 67 1HB LYS 67 6.349 9.483 6.179 541 1HG LYS 67 2HG LYS 67 7.531 11.360 5.773 542 2HG LYS 67 1HG LYS 67 7.489 11.825 7.472 543 1HD LYS 67 2HD LYS 67 9.789 11.538 7.034 544 2HD LYS 67 1HD LYS 67 9.321 10.018 7.797 545 1HE LYS 67 2HE LYS 67 10.472 9.221 5.924 546 2HE LYS 67 1HE LYS 67 8.824 9.310 5.269 547 1HZ LYS 67 1HZ LYS 67 10.848 11.484 5.135 548 2HZ LYS 67 2HZ LYS 67 9.272 11.552 4.506 549 3HZ LYS 67 3HZ LYS 67 10.409 10.479 3.842 550 H TYR 68 H TYR 68 3.577 9.936 6.838 551 HA TYR 68 HA TYR 68 3.329 12.615 5.756 552 1HB TYR 68 2HB TYR 68 2.347 10.843 4.551 553 2HB TYR 68 1HB TYR 68 1.668 10.107 5.993 554 HD1 TYR 68 1HD TYR 68 1.156 12.510 3.297 555 HD2 TYR 68 2HD TYR 68 -0.365 11.101 7.060 556 HE1 TYR 68 1HE TYR 68 -1.025 13.592 2.822 557 HE2 TYR 68 2HE TYR 68 -2.543 12.187 6.587 558 HH TYR 68 HH TYR 68 -3.048 14.500 4.582 559 H GLU 69 H GLU 69 2.026 10.954 8.577 560 HA GLU 69 HA GLU 69 0.092 12.902 9.398 561 1HB GLU 69 2HB GLU 69 1.760 10.866 10.911 562 2HB GLU 69 1HB GLU 69 0.397 11.733 11.619 563 1HG GLU 69 2HG GLU 69 -0.947 10.863 9.580 564 2HG GLU 69 1HG GLU 69 0.378 9.717 9.379 565 H LYS 70 H LYS 70 3.585 12.651 9.995 566 HA LYS 70 HA LYS 70 3.534 15.001 11.796 567 1HB LYS 70 2HB LYS 70 5.940 14.461 12.036 568 2HB LYS 70 1HB LYS 70 4.944 13.031 12.295 569 1HG LYS 70 2HG LYS 70 5.479 12.142 10.150 570 2HG LYS 70 1HG LYS 70 6.140 13.680 9.594 571 1HD LYS 70 2HD LYS 70 7.825 13.410 11.554 572 2HD LYS 70 1HD LYS 70 7.328 11.717 11.546 573 1HE LYS 70 2HE LYS 70 8.110 11.385 9.319 574 2HE LYS 70 1HE LYS 70 8.245 13.131 9.027 575 1HZ LYS 70 1HZ LYS 70 9.890 13.250 10.811 576 2HZ LYS 70 2HZ LYS 70 10.406 12.208 9.572 577 3HZ LYS 70 3HZ LYS 70 9.799 11.570 11.025 578 H ASP 71 H ASP 71 4.259 14.138 8.499 579 HA ASP 71 HA ASP 71 5.771 16.512 7.769 580 1HB ASP 71 2HB ASP 71 4.486 14.157 6.515 581 2HB ASP 71 1HB ASP 71 4.564 15.570 5.482 582 H ILE 72 H ILE 72 2.432 15.462 7.169 583 HA ILE 72 HA ILE 72 1.410 17.847 6.037 584 HB ILE 72 HB ILE 72 0.239 15.569 7.651 585 1HG1 ILE 72 2HG1 ILE 72 1.195 15.096 5.418 586 2HG1 ILE 72 1HG1 ILE 72 -0.542 14.830 5.460 587 1HG2 ILE 72 1HG2 ILE 72 -1.983 16.370 6.565 588 2HG2 ILE 72 2HG2 ILE 72 -1.182 17.935 6.432 589 3HG2 ILE 72 3HG2 ILE 72 -1.424 17.200 8.018 590 1HD1 ILE 72 1HD1 ILE 72 0.916 16.538 3.713 591 2HD1 ILE 72 2HD1 ILE 72 -0.074 17.568 4.744 592 3HD1 ILE 72 3HD1 ILE 72 -0.827 16.299 3.781 593 H ALA 73 H ALA 73 1.913 16.989 9.445 594 HA ALA 73 HA ALA 73 0.291 19.002 10.656 595 1HB ALA 73 1HB ALA 73 2.936 17.848 11.600 596 2HB ALA 73 2HB ALA 73 1.385 17.021 11.745 597 3HB ALA 73 3HB ALA 73 1.665 18.527 12.617 598 H ALA 74 H ALA 74 3.804 19.074 9.928 599 HA ALA 74 HA ALA 74 4.068 21.884 10.642 600 1HB ALA 74 1HB ALA 74 5.899 20.270 10.853 601 2HB ALA 74 2HB ALA 74 6.355 21.517 9.690 602 3HB ALA 74 3HB ALA 74 5.830 19.932 9.123 603 H TYR 75 H TYR 75 3.656 20.062 7.629 604 HA TYR 75 HA TYR 75 4.109 22.301 5.848 605 1HB TYR 75 2HB TYR 75 3.985 19.620 5.598 606 2HB TYR 75 1HB TYR 75 2.348 20.021 5.079 607 HD1 TYR 75 1HD TYR 75 5.949 20.543 4.390 608 HD2 TYR 75 2HD TYR 75 1.932 21.202 3.016 609 HE1 TYR 75 1HE TYR 75 6.821 21.253 2.180 610 HE2 TYR 75 2HE TYR 75 2.805 21.912 0.806 611 HH TYR 75 HH TYR 75 5.551 22.963 0.167 612 H ARG 76 H ARG 76 1.331 21.162 7.681 613 HA ARG 76 HA ARG 76 -0.611 22.705 6.093 614 1HB ARG 76 2HB ARG 76 -1.104 20.522 7.158 615 2HB ARG 76 1HB ARG 76 -0.817 21.241 8.743 616 1HG ARG 76 2HG ARG 76 -2.737 22.577 8.628 617 2HG ARG 76 1HG ARG 76 -2.813 22.483 6.868 618 1HD ARG 76 2HD ARG 76 -3.802 20.373 6.886 619 2HD ARG 76 1HD ARG 76 -3.107 19.951 8.463 620 HE ARG 76 HE ARG 76 -5.304 21.962 8.129 621 1HH1 ARG 76 1HH2 ARG 76 -5.787 19.064 9.013 622 2HH1 ARG 76 2HH2 ARG 76 -5.900 19.264 10.731 623 1HH2 ARG 76 1HH1 ARG 76 -4.500 22.436 10.719 624 2HH2 ARG 76 2HH1 ARG 76 -5.172 21.174 11.696 625 H ALA 77 H ALA 77 1.622 23.494 8.553 626 HA ALA 77 HA ALA 77 -0.057 25.814 9.428 627 1HB ALA 77 1HB ALA 77 0.337 24.394 11.289 628 2HB ALA 77 2HB ALA 77 1.545 25.669 11.448 629 3HB ALA 77 3HB ALA 77 2.005 24.094 10.803 630 H LYS 78 H LYS 78 3.402 25.125 9.687 631 HA LYS 78 HA LYS 78 5.293 26.419 9.096 632 1HB LYS 78 2HB LYS 78 4.238 25.651 6.896 633 2HB LYS 78 1HB LYS 78 3.532 27.264 6.783 634 1HG LYS 78 2HG LYS 78 5.581 28.292 6.457 635 2HG LYS 78 1HG LYS 78 6.465 27.040 7.331 636 1HD LYS 78 2HD LYS 78 5.644 25.505 5.343 637 2HD LYS 78 1HD LYS 78 5.498 27.044 4.493 638 1HE LYS 78 2HE LYS 78 7.865 27.565 5.025 639 2HE LYS 78 1HE LYS 78 8.011 25.998 5.848 640 1HZ LYS 78 1HZ LYS 78 7.183 26.386 3.019 641 2HZ LYS 78 2HZ LYS 78 7.335 24.893 3.816 642 3HZ LYS 78 3HZ LYS 78 8.710 25.846 3.524
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