NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
16163 | 1zmz | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 -12.344 15.495 3.211 2 2H MET 1 2H MET 1 -11.507 16.456 2.081 3 3H MET 1 3H MET 1 -11.528 14.771 1.902 4 HA MET 1 HA MET 1 -10.214 16.288 4.051 5 1HB MET 1 1HB MET 1 -10.344 13.247 3.529 6 2HB MET 1 2HB MET 1 -9.275 14.025 4.739 7 1HG MET 1 1HG MET 1 -11.243 14.893 5.978 8 2HG MET 1 2HG MET 1 -12.354 14.149 4.784 9 1HE MET 1 1HE MET 1 -12.915 12.088 8.052 10 2HE MET 1 2HE MET 1 -12.464 13.821 7.931 11 3HE MET 1 3HE MET 1 -13.646 13.115 6.773 12 H ALA 2 H ALA 2 -8.068 16.932 3.500 13 HA ALA 2 HA ALA 2 -6.955 16.129 0.946 14 1HB ALA 2 1HB ALA 2 -5.754 17.889 3.161 15 2HB ALA 2 2HB ALA 2 -6.702 18.471 1.745 16 3HB ALA 2 3HB ALA 2 -5.103 17.692 1.490 17 H SER 3 H SER 3 -5.844 15.621 4.428 18 HA SER 3 HA SER 3 -3.596 14.045 3.562 19 1HB SER 3 1HB SER 3 -3.667 15.535 5.652 20 2HB SER 3 2HB SER 3 -4.663 14.254 6.431 21 HG SER 3 HG SER 3 -2.427 14.095 6.854 22 H ASN 4 H ASN 4 -3.146 11.792 4.485 23 HA ASN 4 HA ASN 4 -5.400 10.013 3.974 24 1HB ASN 4 1HB ASN 4 -3.097 9.452 3.099 25 2HB ASN 4 2HB ASN 4 -2.536 9.253 4.791 26 1HD2 ASN 4 1HD2 ASN 4 -4.844 7.980 2.292 27 2HD2 ASN 4 2HD2 ASN 4 -5.008 6.402 2.979 28 H PHE 5 H PHE 5 -6.895 10.090 5.685 29 HA PHE 5 HA PHE 5 -6.023 9.834 8.454 30 1HB PHE 5 1HB PHE 5 -8.817 10.036 7.197 31 2HB PHE 5 2HB PHE 5 -8.533 9.858 8.971 32 HD1 PHE 5 HD1 PHE 5 -8.173 12.155 6.076 33 HD2 PHE 5 HD2 PHE 5 -7.406 11.584 10.267 34 HE1 PHE 5 HE1 PHE 5 -7.676 14.565 6.315 35 HE2 PHE 5 HE2 PHE 5 -6.927 13.997 10.506 36 HZ PHE 5 HZ PHE 5 -7.058 15.494 8.532 37 H LYS 6 H LYS 6 -6.199 7.331 6.217 38 HA LYS 6 HA LYS 6 -6.146 5.169 6.376 39 1HB LYS 6 1HB LYS 6 -6.146 5.305 9.421 40 2HB LYS 6 2HB LYS 6 -5.830 3.854 8.416 41 1HG LYS 6 1HG LYS 6 -3.667 4.433 8.730 42 2HG LYS 6 2HG LYS 6 -3.986 5.415 7.263 43 1HD LYS 6 1HD LYS 6 -4.483 7.395 8.919 44 2HD LYS 6 2HD LYS 6 -3.915 6.305 10.220 45 1HE LYS 6 1HE LYS 6 -2.060 7.769 9.582 46 2HE LYS 6 2HE LYS 6 -1.668 6.110 8.970 47 1HZ LYS 6 1HZ LYS 6 -2.805 8.382 7.407 48 2HZ LYS 6 2HZ LYS 6 -2.532 6.838 6.787 49 3HZ LYS 6 3HZ LYS 6 -1.217 7.775 7.324 50 H LYS 7 H LYS 7 -7.348 3.048 7.094 51 HA LYS 7 HA LYS 7 -9.154 1.831 6.908 52 1HB LYS 7 1HB LYS 7 -9.845 2.801 9.095 53 2HB LYS 7 2HB LYS 7 -10.858 3.991 8.212 54 1HG LYS 7 1HG LYS 7 -12.227 2.132 7.256 55 2HG LYS 7 2HG LYS 7 -11.153 0.919 8.029 56 1HD LYS 7 1HD LYS 7 -11.810 1.763 10.283 57 2HD LYS 7 2HD LYS 7 -12.856 3.013 9.513 58 1HE LYS 7 1HE LYS 7 -14.276 1.200 8.481 59 2HE LYS 7 2HE LYS 7 -13.231 -0.058 9.257 60 1HZ LYS 7 1HZ LYS 7 -13.865 0.821 11.404 61 2HZ LYS 7 2HZ LYS 7 -15.225 0.358 10.502 62 3HZ LYS 7 3HZ LYS 7 -14.844 2.003 10.675 63 H ALA 8 H ALA 8 -8.670 2.338 4.502 64 HA ALA 8 HA ALA 8 -10.994 3.551 3.136 65 1HB ALA 8 1HB ALA 8 -9.710 3.146 1.022 66 2HB ALA 8 2HB ALA 8 -8.785 4.153 2.187 67 3HB ALA 8 3HB ALA 8 -8.370 2.416 1.985 68 H ASN 9 H ASN 9 -9.088 0.472 2.429 69 HA ASN 9 HA ASN 9 -11.641 -1.040 2.562 70 1HB ASN 9 1HB ASN 9 -10.857 -0.842 0.178 71 2HB ASN 9 2HB ASN 9 -9.264 -1.514 0.661 72 1HD2 ASN 9 1HD2 ASN 9 -12.835 -2.354 0.913 73 2HD2 ASN 9 2HD2 ASN 9 -12.593 -4.065 0.730 74 H MET 10 H MET 10 -11.489 -2.071 4.573 75 HA MET 10 HA MET 10 -8.995 -3.386 5.397 76 1HB MET 10 1HB MET 10 -11.759 -3.272 6.712 77 2HB MET 10 2HB MET 10 -10.368 -4.212 7.360 78 1HG MET 10 1HG MET 10 -8.996 -2.160 7.501 79 2HG MET 10 2HG MET 10 -10.362 -1.168 6.905 80 1HE MET 10 1HE MET 10 -9.581 -0.482 10.821 81 2HE MET 10 2HE MET 10 -9.334 0.111 9.142 82 3HE MET 10 3HE MET 10 -8.412 -1.309 9.737 83 H ALA 11 H ALA 11 -12.405 -4.546 4.534 84 HA ALA 11 HA ALA 11 -11.469 -7.292 4.330 85 1HB ALA 11 1HB ALA 11 -13.782 -7.830 3.584 86 2HB ALA 11 2HB ALA 11 -14.176 -6.070 3.548 87 3HB ALA 11 3HB ALA 11 -13.792 -6.877 5.111 88 H SER 12 H SER 12 -9.995 -7.574 2.601 89 HA SER 12 HA SER 12 -10.411 -6.210 0.091 90 1HB SER 12 1HB SER 12 -8.145 -6.491 1.131 91 2HB SER 12 2HB SER 12 -8.238 -8.257 0.781 92 HG SER 12 HG SER 12 -7.128 -6.968 -0.789 93 H SER 13 H SER 13 -12.433 -7.119 -0.742 94 HA SER 13 HA SER 13 -12.453 -9.875 -1.664 95 1HB SER 13 1HB SER 13 -14.549 -9.102 -2.940 96 2HB SER 13 2HB SER 13 -14.611 -8.946 -1.148 97 HG SER 13 HG SER 13 -13.981 -6.899 -2.997 98 H SER 14 H SER 14 -10.422 -9.955 -2.912 99 HA SER 14 HA SER 14 -9.949 -8.011 -5.000 100 1HB SER 14 1HB SER 14 -8.406 -10.555 -4.219 101 2HB SER 14 2HB SER 14 -7.869 -9.367 -5.470 102 HG SER 14 HG SER 14 -8.362 -8.794 -2.725 103 H GLN 15 H GLN 15 -11.750 -8.345 -6.492 104 HA GLN 15 HA GLN 15 -12.278 -10.952 -7.583 105 1HB GLN 15 1HB GLN 15 -13.360 -8.218 -8.443 106 2HB GLN 15 2HB GLN 15 -13.976 -9.815 -9.007 107 1HG GLN 15 1HG GLN 15 -14.653 -10.406 -6.677 108 2HG GLN 15 2HG GLN 15 -14.006 -8.833 -6.074 109 1HE2 GLN 15 1HE2 GLN 15 -15.795 -7.542 -5.628 110 2HE2 GLN 15 2HE2 GLN 15 -17.143 -7.291 -6.685 111 H ARG 16 H ARG 16 -10.153 -11.464 -8.623 112 HA ARG 16 HA ARG 16 -9.559 -10.100 -11.150 113 1HB ARG 16 1HB ARG 16 -8.260 -12.569 -9.902 114 2HB ARG 16 2HB ARG 16 -7.717 -11.737 -11.406 115 1HG ARG 16 1HG ARG 16 -7.450 -9.606 -10.129 116 2HG ARG 16 2HG ARG 16 -7.865 -10.459 -8.600 117 1HD ARG 16 1HD ARG 16 -5.806 -11.883 -8.793 118 2HD ARG 16 2HD ARG 16 -5.458 -11.161 -10.415 119 HE ARG 16 HE ARG 16 -4.889 -9.097 -9.463 120 1HH1 ARG 16 1HH1 ARG 16 -5.909 -11.367 -6.852 121 2HH1 ARG 16 2HH1 ARG 16 -5.425 -10.326 -5.570 122 1HH2 ARG 16 1HH2 ARG 16 -4.269 -7.695 -7.726 123 2HH2 ARG 16 2HH2 ARG 16 -4.459 -8.175 -6.072 124 H LYS 17 H LYS 17 -12.102 -10.856 -11.520 125 HA LYS 17 HA LYS 17 -12.059 -12.628 -13.751 126 1HB LYS 17 1HB LYS 17 -12.224 -14.327 -11.871 127 2HB LYS 17 2HB LYS 17 -13.766 -13.569 -11.363 128 1HG LYS 17 1HG LYS 17 -14.768 -14.112 -13.592 129 2HG LYS 17 2HG LYS 17 -13.215 -14.814 -14.147 130 1HD LYS 17 1HD LYS 17 -14.954 -15.835 -11.803 131 2HD LYS 17 2HD LYS 17 -14.947 -16.518 -13.460 132 1HE LYS 17 1HE LYS 17 -12.557 -16.538 -11.481 133 2HE LYS 17 2HE LYS 17 -13.609 -17.937 -11.923 134 1HZ LYS 17 1HZ LYS 17 -11.839 -16.422 -13.771 135 2HZ LYS 17 2HZ LYS 17 -12.836 -17.731 -14.195 136 3HZ LYS 17 3HZ LYS 17 -11.548 -17.958 -13.116 137 H ARG 18 H ARG 18 -12.809 -10.535 -14.670 138 HA ARG 18 HA ARG 18 -15.612 -9.803 -13.991 139 1HB ARG 18 1HB ARG 18 -13.268 -7.875 -14.495 140 2HB ARG 18 2HB ARG 18 -14.983 -7.377 -14.366 141 1HG ARG 18 1HG ARG 18 -13.278 -8.673 -12.140 142 2HG ARG 18 2HG ARG 18 -13.657 -6.932 -12.300 143 1HD ARG 18 1HD ARG 18 -15.695 -9.196 -11.717 144 2HD ARG 18 2HD ARG 18 -15.093 -7.928 -10.568 145 HE ARG 18 HE ARG 18 -16.181 -6.656 -12.911 146 1HH1 ARG 18 1HH1 ARG 18 -17.239 -8.383 -9.918 147 2HH1 ARG 18 2HH1 ARG 18 -18.856 -7.831 -10.023 148 1HH2 ARG 18 1HH2 ARG 18 -18.387 -5.821 -12.940 149 2HH2 ARG 18 2HH2 ARG 18 -19.508 -6.293 -11.733 150 H MET 19 H MET 19 -13.022 -9.038 -16.554 151 HA MET 19 HA MET 19 -15.207 -9.202 -18.560 152 1HB MET 19 1HB MET 19 -14.194 -6.932 -18.451 153 2HB MET 19 2HB MET 19 -12.573 -7.645 -18.739 154 1HG MET 19 1HG MET 19 -13.499 -6.629 -20.789 155 2HG MET 19 2HG MET 19 -13.249 -8.386 -21.000 156 1HE MET 19 1HE MET 19 -14.625 -8.583 -23.109 157 2HE MET 19 2HE MET 19 -16.191 -7.748 -23.384 158 3HE MET 19 3HE MET 19 -14.709 -6.792 -23.049 159 H SER 20 H SER 20 -15.160 -11.236 -19.505 160 HA SER 20 HA SER 20 -12.714 -12.656 -20.043 161 1HB SER 20 1HB SER 20 -14.308 -14.189 -21.391 162 2HB SER 20 2HB SER 20 -14.620 -14.036 -19.624 163 HG SER 20 HG SER 20 -15.921 -12.625 -21.704 164 HA PRO 21 HA PRO 21 -12.016 -10.105 -23.668 165 1HB PRO 21 1HB PRO 21 -10.003 -11.499 -25.065 166 2HB PRO 21 2HB PRO 21 -9.743 -10.565 -23.543 167 1HG PRO 21 1HG PRO 21 -10.278 -13.571 -23.818 168 2HG PRO 21 2HG PRO 21 -8.963 -12.760 -22.875 169 1HD PRO 21 1HD PRO 21 -11.284 -13.603 -21.666 170 2HD PRO 21 2HD PRO 21 -10.541 -12.005 -21.188 171 H LYS 22 H LYS 22 -13.054 -9.661 -25.527 172 HA LYS 22 HA LYS 22 -14.004 -11.883 -27.252 173 1HB LYS 22 1HB LYS 22 -14.924 -8.976 -27.147 174 2HB LYS 22 2HB LYS 22 -15.698 -10.338 -28.058 175 1HG LYS 22 1HG LYS 22 -16.165 -11.502 -25.888 176 2HG LYS 22 2HG LYS 22 -15.471 -10.106 -24.991 177 1HD LYS 22 1HD LYS 22 -17.173 -8.589 -25.990 178 2HD LYS 22 2HD LYS 22 -17.915 -9.992 -26.850 179 1HE LYS 22 1HE LYS 22 -18.412 -11.093 -24.636 180 2HE LYS 22 2HE LYS 22 -17.646 -9.701 -23.769 181 1HZ LYS 22 1HZ LYS 22 -19.314 -8.257 -24.724 182 2HZ LYS 22 2HZ LYS 22 -20.024 -9.521 -23.841 183 3HZ LYS 22 3HZ LYS 22 -20.035 -9.563 -25.538 184 HA PRO 23 HA PRO 23 -11.033 -10.092 -30.384 185 1HB PRO 23 1HB PRO 23 -11.827 -8.158 -32.169 186 2HB PRO 23 2HB PRO 23 -12.426 -9.860 -32.229 187 1HG PRO 23 1HG PRO 23 -13.806 -7.435 -30.974 188 2HG PRO 23 2HG PRO 23 -14.515 -8.666 -32.101 189 1HD PRO 23 1HD PRO 23 -14.778 -8.744 -29.350 190 2HD PRO 23 2HD PRO 23 -14.687 -10.288 -30.327 191 H GLU 24 H GLU 24 -9.763 -9.336 -28.666 192 HA GLU 24 HA GLU 24 -8.959 -6.590 -28.579 193 1HB GLU 24 1HB GLU 24 -9.582 -6.124 -26.207 194 2HB GLU 24 2HB GLU 24 -11.011 -6.379 -27.248 195 1HG GLU 24 1HG GLU 24 -11.077 -8.824 -26.441 196 2HG GLU 24 2HG GLU 24 -9.823 -8.387 -25.228 197 H LEU 25 H LEU 25 -7.526 -6.503 -26.141 198 HA LEU 25 HA LEU 25 -5.412 -8.367 -26.406 199 1HB LEU 25 1HB LEU 25 -4.417 -7.409 -24.468 200 2HB LEU 25 2HB LEU 25 -5.071 -6.105 -25.484 201 HG LEU 25 HG LEU 25 -6.408 -7.210 -22.936 202 1HD1 LEU 25 1HD1 LEU 25 -4.744 -4.651 -23.302 203 2HD1 LEU 25 2HD1 LEU 25 -5.599 -5.164 -21.799 204 3HD1 LEU 25 3HD1 LEU 25 -4.225 -6.136 -22.433 205 1HD2 LEU 25 1HD2 LEU 25 -8.142 -6.145 -24.321 206 2HD2 LEU 25 2HD2 LEU 25 -7.084 -4.706 -24.614 207 3HD2 LEU 25 3HD2 LEU 25 -7.726 -5.045 -22.966 208 H THR 26 H THR 26 -4.780 -10.285 -25.065 209 HA THR 26 HA THR 26 -7.195 -11.616 -23.997 210 HB THR 26 HB THR 26 -5.908 -13.742 -24.364 211 HG1 THR 26 HG1 THR 26 -4.183 -12.190 -25.946 212 1HG2 THR 26 1HG2 THR 26 -6.206 -13.666 -26.824 213 2HG2 THR 26 2HG2 THR 26 -7.571 -12.843 -25.990 214 3HG2 THR 26 3HG2 THR 26 -6.294 -11.865 -26.797 215 H GLU 27 H GLU 27 -5.944 -13.738 -22.440 216 HA GLU 27 HA GLU 27 -6.132 -12.696 -19.959 217 1HB GLU 27 1HB GLU 27 -4.696 -15.217 -20.924 218 2HB GLU 27 2HB GLU 27 -4.878 -14.840 -19.178 219 1HG GLU 27 1HG GLU 27 -6.587 -16.424 -19.857 220 2HG GLU 27 2HG GLU 27 -7.327 -14.872 -19.327 221 H GLU 28 H GLU 28 -2.898 -13.588 -21.340 222 HA GLU 28 HA GLU 28 -1.227 -12.611 -19.344 223 1HB GLU 28 1HB GLU 28 -0.444 -14.002 -21.155 224 2HB GLU 28 2HB GLU 28 -0.869 -12.781 -22.386 225 1HG GLU 28 1HG GLU 28 1.206 -12.118 -20.200 226 2HG GLU 28 2HG GLU 28 1.654 -13.171 -21.591 227 H GLN 29 H GLN 29 -2.269 -10.665 -22.293 228 HA GLN 29 HA GLN 29 -1.030 -8.316 -21.304 229 1HB GLN 29 1HB GLN 29 -3.075 -8.585 -23.525 230 2HB GLN 29 2HB GLN 29 -2.216 -7.057 -23.073 231 1HG GLN 29 1HG GLN 29 -0.005 -8.448 -23.336 232 2HG GLN 29 2HG GLN 29 -0.996 -9.650 -24.223 233 1HE2 GLN 29 1HE2 GLN 29 -2.330 -8.678 -26.144 234 2HE2 GLN 29 2HE2 GLN 29 -1.567 -7.409 -27.057 235 H LYS 30 H LYS 30 -4.598 -9.192 -21.202 236 HA LYS 30 HA LYS 30 -5.675 -7.015 -19.909 237 1HB LYS 30 1HB LYS 30 -6.132 -10.008 -19.439 238 2HB LYS 30 2HB LYS 30 -7.125 -8.780 -18.586 239 1HG LYS 30 1HG LYS 30 -6.968 -8.942 -21.645 240 2HG LYS 30 2HG LYS 30 -8.154 -9.837 -20.640 241 1HD LYS 30 1HD LYS 30 -8.973 -7.678 -19.664 242 2HD LYS 30 2HD LYS 30 -7.844 -6.778 -20.748 243 1HE LYS 30 1HE LYS 30 -9.003 -7.765 -22.760 244 2HE LYS 30 2HE LYS 30 -10.153 -8.642 -21.677 245 1HZ LYS 30 1HZ LYS 30 -9.800 -5.691 -21.658 246 2HZ LYS 30 2HZ LYS 30 -11.056 -6.610 -20.964 247 3HZ LYS 30 3HZ LYS 30 -10.897 -6.510 -22.666 248 H GLN 31 H GLN 31 -4.334 -9.839 -18.100 249 HA GLN 31 HA GLN 31 -4.394 -8.769 -15.523 250 1HB GLN 31 1HB GLN 31 -4.121 -11.131 -15.953 251 2HB GLN 31 2HB GLN 31 -2.593 -10.874 -16.829 252 1HG GLN 31 1HG GLN 31 -2.676 -9.940 -13.911 253 2HG GLN 31 2HG GLN 31 -2.806 -11.708 -14.208 254 1HE2 GLN 31 1HE2 GLN 31 -0.516 -9.139 -13.899 255 2HE2 GLN 31 2HE2 GLN 31 0.835 -9.879 -14.689 256 H GLU 32 H GLU 32 -1.446 -8.612 -17.826 257 HA GLU 32 HA GLU 32 0.073 -7.475 -15.722 258 1HB GLU 32 1HB GLU 32 0.908 -8.782 -17.779 259 2HB GLU 32 2HB GLU 32 0.866 -7.218 -18.651 260 1HG GLU 32 1HG GLU 32 3.143 -7.740 -17.767 261 2HG GLU 32 2HG GLU 32 2.481 -6.272 -16.951 262 H ILE 33 H ILE 33 -1.463 -5.651 -18.565 263 HA ILE 33 HA ILE 33 -0.488 -3.117 -17.571 264 HB ILE 33 HB ILE 33 -2.577 -3.984 -19.608 265 1HG1 ILE 33 1HG1 ILE 33 -0.996 -2.583 -21.117 266 2HG1 ILE 33 2HG1 ILE 33 0.179 -2.601 -19.769 267 1HG2 ILE 33 1HG2 ILE 33 -3.558 -1.940 -18.712 268 2HG2 ILE 33 2HG2 ILE 33 -1.970 -1.084 -18.767 269 3HG2 ILE 33 3HG2 ILE 33 -2.804 -1.562 -20.285 270 1HD1 ILE 33 1HD1 ILE 33 0.362 -5.091 -19.960 271 2HD1 ILE 33 2HD1 ILE 33 0.586 -4.347 -21.577 272 3HD1 ILE 33 3HD1 ILE 33 -0.986 -5.120 -21.160 273 H ARG 34 H ARG 34 -3.861 -4.753 -17.120 274 HA ARG 34 HA ARG 34 -4.852 -2.638 -15.512 275 1HB ARG 34 1HB ARG 34 -6.370 -4.371 -16.359 276 2HB ARG 34 2HB ARG 34 -5.570 -5.625 -15.360 277 1HG ARG 34 1HG ARG 34 -6.664 -3.169 -13.949 278 2HG ARG 34 2HG ARG 34 -7.867 -4.306 -14.641 279 1HD ARG 34 1HD ARG 34 -7.244 -6.123 -13.219 280 2HD ARG 34 2HD ARG 34 -5.666 -5.368 -12.764 281 HE ARG 34 HE ARG 34 -7.655 -3.547 -11.916 282 1HH1 ARG 34 1HH1 ARG 34 -6.255 -6.760 -11.015 283 2HH1 ARG 34 2HH1 ARG 34 -6.699 -6.609 -9.397 284 1HH2 ARG 34 1HH2 ARG 34 -7.993 -3.329 -9.666 285 2HH2 ARG 34 2HH2 ARG 34 -7.785 -4.644 -8.591 286 H GLU 35 H GLU 35 -3.127 -5.750 -14.353 287 HA GLU 35 HA GLU 35 -3.529 -4.982 -11.654 288 1HB GLU 35 1HB GLU 35 -3.036 -7.346 -12.671 289 2HB GLU 35 2HB GLU 35 -1.318 -6.871 -12.610 290 1HG GLU 35 1HG GLU 35 -1.799 -8.192 -10.641 291 2HG GLU 35 2HG GLU 35 -1.628 -6.494 -10.060 292 H ALA 36 H ALA 36 -0.648 -4.262 -13.867 293 HA ALA 36 HA ALA 36 0.930 -3.177 -11.731 294 1HB ALA 36 1HB ALA 36 1.007 -2.537 -14.738 295 2HB ALA 36 2HB ALA 36 1.962 -3.810 -13.903 296 3HB ALA 36 3HB ALA 36 2.269 -2.075 -13.530 297 H PHE 37 H PHE 37 -1.122 -1.365 -14.276 298 HA PHE 37 HA PHE 37 -0.678 1.165 -13.121 299 1HB PHE 37 1HB PHE 37 -1.752 0.488 -15.432 300 2HB PHE 37 2HB PHE 37 -3.310 0.426 -14.552 301 HD1 PHE 37 HD1 PHE 37 -4.080 2.604 -13.337 302 HD2 PHE 37 HD2 PHE 37 -0.790 2.519 -16.112 303 HE1 PHE 37 HE1 PHE 37 -4.240 5.051 -13.614 304 HE2 PHE 37 HE2 PHE 37 -1.024 4.943 -16.460 305 HZ PHE 37 HZ PHE 37 -2.699 6.224 -15.170 306 H ASP 38 H ASP 38 -3.445 -1.169 -12.406 307 HA ASP 38 HA ASP 38 -4.739 0.457 -10.471 308 1HB ASP 38 1HB ASP 38 -5.528 -1.657 -11.751 309 2HB ASP 38 2HB ASP 38 -4.605 -2.620 -10.557 310 H LEU 39 H LEU 39 -1.877 -1.884 -10.012 311 HA LEU 39 HA LEU 39 -1.810 -1.827 -7.218 312 1HB LEU 39 1HB LEU 39 -0.378 -3.311 -8.628 313 2HB LEU 39 2HB LEU 39 0.543 -1.882 -9.189 314 HG LEU 39 HG LEU 39 1.346 -1.492 -6.838 315 1HD1 LEU 39 1HD1 LEU 39 -0.064 -4.167 -6.201 316 2HD1 LEU 39 2HD1 LEU 39 1.098 -3.303 -5.125 317 3HD1 LEU 39 3HD1 LEU 39 -0.482 -2.546 -5.524 318 1HD2 LEU 39 1HD2 LEU 39 2.712 -2.747 -8.479 319 2HD2 LEU 39 2HD2 LEU 39 2.965 -3.370 -6.806 320 3HD2 LEU 39 3HD2 LEU 39 1.940 -4.296 -7.968 321 H PHE 40 H PHE 40 -0.328 0.588 -9.529 322 HA PHE 40 HA PHE 40 0.595 2.259 -7.320 323 1HB PHE 40 1HB PHE 40 0.624 2.794 -10.336 324 2HB PHE 40 2HB PHE 40 1.394 3.844 -9.070 325 HD1 PHE 40 HD1 PHE 40 1.813 0.876 -11.119 326 HD2 PHE 40 HD2 PHE 40 3.058 2.719 -7.445 327 HE1 PHE 40 HE1 PHE 40 3.673 -0.739 -10.942 328 HE2 PHE 40 HE2 PHE 40 4.960 1.143 -7.301 329 HZ PHE 40 HZ PHE 40 5.253 -0.606 -9.041 330 H ASP 41 H ASP 41 -2.103 2.606 -9.820 331 HA ASP 41 HA ASP 41 -3.232 4.830 -8.261 332 1HB ASP 41 1HB ASP 41 -3.162 4.972 -10.762 333 2HB ASP 41 2HB ASP 41 -4.191 3.503 -10.867 334 H ALA 42 H ALA 42 -3.721 3.521 -6.294 335 HA ALA 42 HA ALA 42 -5.220 1.088 -6.519 336 1HB ALA 42 1HB ALA 42 -5.155 1.020 -4.037 337 2HB ALA 42 2HB ALA 42 -4.577 2.730 -4.003 338 3HB ALA 42 3HB ALA 42 -3.543 1.439 -4.722 339 H ASP 43 H ASP 43 -6.256 4.302 -5.066 340 HA ASP 43 HA ASP 43 -8.931 3.291 -4.570 341 1HB ASP 43 1HB ASP 43 -7.758 6.117 -4.277 342 2HB ASP 43 2HB ASP 43 -9.414 5.637 -3.750 343 H GLY 44 H GLY 44 -7.525 4.933 -7.411 344 1HA GLY 44 1HA GLY 44 -8.741 4.976 -9.383 345 2HA GLY 44 2HA GLY 44 -10.251 5.361 -8.483 346 H THR 45 H THR 45 -7.065 6.681 -9.566 347 HA THR 45 HA THR 45 -8.078 9.418 -9.052 348 HB THR 45 HB THR 45 -5.781 10.174 -8.797 349 HG1 THR 45 HG1 THR 45 -4.143 8.687 -8.632 350 1HG2 THR 45 1HG2 THR 45 -5.445 9.127 -6.555 351 2HG2 THR 45 2HG2 THR 45 -7.202 9.403 -6.840 352 3HG2 THR 45 3HG2 THR 45 -6.512 7.746 -7.001 353 H GLY 46 H GLY 46 -5.644 7.895 -11.378 354 1HA GLY 46 1HA GLY 46 -6.717 8.417 -13.733 355 2HA GLY 46 2HA GLY 46 -6.203 10.081 -13.261 356 H THR 47 H THR 47 -3.761 10.232 -12.544 357 HA THR 47 HA THR 47 -2.205 8.777 -14.604 358 HB THR 47 HB THR 47 -0.540 10.706 -14.265 359 HG1 THR 47 HG1 THR 47 -1.306 12.472 -13.282 360 1HG2 THR 47 1HG2 THR 47 -3.376 11.271 -15.394 361 2HG2 THR 47 2HG2 THR 47 -1.872 12.180 -15.802 362 3HG2 THR 47 3HG2 THR 47 -2.026 10.450 -16.261 363 H ILE 48 H ILE 48 -0.379 7.740 -14.171 364 HA ILE 48 HA ILE 48 0.616 7.473 -11.374 365 HB ILE 48 HB ILE 48 -0.054 5.355 -12.490 366 1HG1 ILE 48 1HG1 ILE 48 2.996 5.674 -12.283 367 2HG1 ILE 48 2HG1 ILE 48 1.841 5.178 -10.993 368 1HG2 ILE 48 1HG2 ILE 48 0.160 6.096 -14.855 369 2HG2 ILE 48 2HG2 ILE 48 0.999 4.568 -14.597 370 3HG2 ILE 48 3HG2 ILE 48 1.958 6.082 -14.726 371 1HD1 ILE 48 1HD1 ILE 48 2.992 3.185 -11.847 372 2HD1 ILE 48 2HD1 ILE 48 1.289 3.111 -12.442 373 3HD1 ILE 48 3HD1 ILE 48 2.627 3.604 -13.548 374 H ASP 49 H ASP 49 2.964 8.022 -11.068 375 HA ASP 49 HA ASP 49 3.947 9.831 -13.198 376 1HB ASP 49 1HB ASP 49 5.069 11.133 -11.718 377 2HB ASP 49 2HB ASP 49 3.690 10.609 -10.703 378 H VAL 50 H VAL 50 6.576 9.964 -13.352 379 HA VAL 50 HA VAL 50 7.491 7.486 -14.289 380 HB VAL 50 HB VAL 50 9.881 8.577 -14.175 381 1HG1 VAL 50 1HG1 VAL 50 9.240 9.728 -16.325 382 2HG1 VAL 50 2HG1 VAL 50 7.499 9.414 -15.932 383 3HG1 VAL 50 3HG1 VAL 50 8.624 8.040 -16.192 384 1HG2 VAL 50 1HG2 VAL 50 8.039 11.048 -13.819 385 2HG2 VAL 50 2HG2 VAL 50 9.149 10.402 -12.552 386 3HG2 VAL 50 3HG2 VAL 50 9.809 11.030 -14.107 387 H LYS 51 H LYS 51 7.985 8.662 -10.923 388 HA LYS 51 HA LYS 51 9.907 6.697 -10.176 389 1HB LYS 51 1HB LYS 51 7.609 7.875 -8.519 390 2HB LYS 51 2HB LYS 51 9.005 6.959 -7.851 391 1HG LYS 51 1HG LYS 51 10.570 8.680 -8.670 392 2HG LYS 51 2HG LYS 51 9.229 9.656 -9.357 393 1HD LYS 51 1HD LYS 51 9.248 8.903 -6.376 394 2HD LYS 51 2HD LYS 51 10.286 10.222 -6.998 395 1HE LYS 51 1HE LYS 51 8.199 11.154 -6.083 396 2HE LYS 51 2HE LYS 51 8.338 11.486 -7.855 397 1HZ LYS 51 1HZ LYS 51 6.738 9.227 -6.761 398 2HZ LYS 51 2HZ LYS 51 6.119 10.780 -7.044 399 3HZ LYS 51 3HZ LYS 51 6.737 9.880 -8.332 400 H GLU 52 H GLU 52 6.286 6.566 -9.647 401 HA GLU 52 HA GLU 52 6.014 3.833 -9.081 402 1HB GLU 52 1HB GLU 52 4.187 5.814 -10.512 403 2HB GLU 52 2HB GLU 52 3.627 4.253 -9.799 404 1HG GLU 52 1HG GLU 52 4.191 5.082 -7.519 405 2HG GLU 52 2HG GLU 52 4.858 6.612 -8.205 406 H LEU 53 H LEU 53 5.661 5.446 -12.405 407 HA LEU 53 HA LEU 53 5.108 3.086 -13.794 408 1HB LEU 53 1HB LEU 53 4.762 5.483 -14.578 409 2HB LEU 53 2HB LEU 53 6.525 5.574 -14.883 410 HG LEU 53 HG LEU 53 6.283 3.662 -16.535 411 1HD1 LEU 53 1HD1 LEU 53 3.252 4.037 -16.080 412 2HD1 LEU 53 2HD1 LEU 53 4.020 3.038 -17.371 413 3HD1 LEU 53 3HD1 LEU 53 4.218 2.573 -15.657 414 1HD2 LEU 53 1HD2 LEU 53 5.283 5.043 -18.334 415 2HD2 LEU 53 2HD2 LEU 53 6.342 6.035 -17.265 416 3HD2 LEU 53 3HD2 LEU 53 4.552 6.140 -17.101 417 H LYS 54 H LYS 54 8.436 4.450 -13.049 418 HA LYS 54 HA LYS 54 9.870 2.561 -14.639 419 1HB LYS 54 1HB LYS 54 10.612 4.128 -12.128 420 2HB LYS 54 2HB LYS 54 11.768 2.979 -12.896 421 1HG LYS 54 1HG LYS 54 11.890 4.238 -14.935 422 2HG LYS 54 2HG LYS 54 10.430 5.192 -14.525 423 1HD LYS 54 1HD LYS 54 12.324 6.629 -14.292 424 2HD LYS 54 2HD LYS 54 11.615 6.323 -12.669 425 1HE LYS 54 1HE LYS 54 13.473 4.691 -12.158 426 2HE LYS 54 2HE LYS 54 14.170 4.980 -13.806 427 1HZ LYS 54 1HZ LYS 54 13.795 7.023 -11.674 428 2HZ LYS 54 2HZ LYS 54 14.447 7.298 -13.215 429 3HZ LYS 54 3HZ LYS 54 15.258 6.287 -12.120 430 H VAL 55 H VAL 55 8.775 2.363 -11.130 431 HA VAL 55 HA VAL 55 9.706 -0.308 -10.737 432 HB VAL 55 HB VAL 55 7.328 1.036 -9.386 433 1HG1 VAL 55 1HG1 VAL 55 7.869 -0.592 -7.530 434 2HG1 VAL 55 2HG1 VAL 55 9.117 -1.368 -8.572 435 3HG1 VAL 55 3HG1 VAL 55 7.375 -1.456 -9.022 436 1HG2 VAL 55 1HG2 VAL 55 9.410 2.417 -9.161 437 2HG2 VAL 55 2HG2 VAL 55 10.345 0.957 -8.676 438 3HG2 VAL 55 3HG2 VAL 55 9.039 1.598 -7.613 439 H ALA 56 H ALA 56 6.574 0.908 -12.134 440 HA ALA 56 HA ALA 56 5.349 -1.592 -12.551 441 1HB ALA 56 1HB ALA 56 3.934 -0.507 -14.243 442 2HB ALA 56 2HB ALA 56 4.166 0.620 -12.857 443 3HB ALA 56 3HB ALA 56 5.090 0.863 -14.379 444 H MET 57 H MET 57 7.564 0.203 -14.798 445 HA MET 57 HA MET 57 7.591 -1.749 -16.865 446 1HB MET 57 1HB MET 57 9.225 0.647 -16.053 447 2HB MET 57 2HB MET 57 9.968 -0.502 -17.194 448 1HG MET 57 1HG MET 57 8.786 1.435 -18.287 449 2HG MET 57 2HG MET 57 8.298 -0.182 -18.860 450 1HE MET 57 1HE MET 57 6.855 2.862 -19.099 451 2HE MET 57 2HE MET 57 6.524 1.396 -20.085 452 3HE MET 57 3HE MET 57 5.175 2.249 -19.260 453 H ARG 58 H ARG 58 9.783 -1.507 -13.930 454 HA ARG 58 HA ARG 58 11.498 -3.668 -14.595 455 1HB ARG 58 1HB ARG 58 10.410 -2.792 -11.857 456 2HB ARG 58 2HB ARG 58 11.732 -3.992 -12.070 457 1HG ARG 58 1HG ARG 58 13.208 -2.319 -13.045 458 2HG ARG 58 2HG ARG 58 11.893 -1.094 -13.074 459 1HD ARG 58 1HD ARG 58 11.724 -1.194 -10.563 460 2HD ARG 58 2HD ARG 58 13.108 -2.372 -10.524 461 HE ARG 58 HE ARG 58 14.080 -0.214 -12.000 462 1HH1 ARG 58 1HH1 ARG 58 12.645 -0.606 -8.736 463 2HH1 ARG 58 2HH1 ARG 58 13.533 0.675 -8.020 464 1HH2 ARG 58 1HH2 ARG 58 15.342 1.518 -10.991 465 2HH2 ARG 58 2HH2 ARG 58 15.110 1.910 -9.337 466 H ALA 59 H ALA 59 8.315 -3.850 -12.651 467 HA ALA 59 HA ALA 59 8.258 -6.689 -12.570 468 1HB ALA 59 1HB ALA 59 6.853 -5.256 -11.088 469 2HB ALA 59 2HB ALA 59 5.842 -6.429 -12.006 470 3HB ALA 59 3HB ALA 59 5.914 -4.701 -12.523 471 H LEU 60 H LEU 60 6.809 -4.479 -15.129 472 HA LEU 60 HA LEU 60 5.451 -6.641 -16.457 473 1HB LEU 60 1HB LEU 60 4.642 -4.325 -16.346 474 2HB LEU 60 2HB LEU 60 6.045 -3.736 -17.284 475 HG LEU 60 HG LEU 60 4.216 -5.854 -18.501 476 1HD1 LEU 60 1HD1 LEU 60 2.607 -4.162 -19.293 477 2HD1 LEU 60 2HD1 LEU 60 2.663 -4.135 -17.495 478 3HD1 LEU 60 3HD1 LEU 60 3.508 -2.852 -18.441 479 1HD2 LEU 60 1HD2 LEU 60 4.678 -4.626 -20.619 480 2HD2 LEU 60 2HD2 LEU 60 5.674 -3.421 -19.714 481 3HD2 LEU 60 3HD2 LEU 60 6.208 -5.129 -19.846 482 H GLY 61 H GLY 61 8.627 -4.951 -17.194 483 1HA GLY 61 1HA GLY 61 8.948 -5.881 -19.799 484 2HA GLY 61 2HA GLY 61 10.243 -5.445 -18.633 485 H PHE 62 H PHE 62 10.403 -7.416 -16.859 486 HA PHE 62 HA PHE 62 11.134 -9.441 -16.367 487 1HB PHE 62 1HB PHE 62 9.539 -10.534 -18.772 488 2HB PHE 62 2HB PHE 62 10.312 -11.531 -17.494 489 HD1 PHE 62 HD1 PHE 62 7.334 -9.818 -18.488 490 HD2 PHE 62 HD2 PHE 62 9.562 -11.105 -15.043 491 HE1 PHE 62 HE1 PHE 62 5.262 -9.788 -17.138 492 HE2 PHE 62 HE2 PHE 62 7.484 -11.080 -13.698 493 HZ PHE 62 HZ PHE 62 5.329 -10.430 -14.749 494 H GLU 63 H GLU 63 11.091 -9.767 -19.923 495 HA GLU 63 HA GLU 63 13.981 -10.145 -20.114 496 1HB GLU 63 1HB GLU 63 11.967 -12.329 -20.940 497 2HB GLU 63 2HB GLU 63 13.689 -12.260 -21.463 498 1HG GLU 63 1HG GLU 63 14.398 -12.405 -19.029 499 2HG GLU 63 2HG GLU 63 12.667 -12.613 -18.571 500 HA PRO 64 HA PRO 64 11.647 -8.623 -23.873 501 1HB PRO 64 1HB PRO 64 11.818 -5.892 -23.933 502 2HB PRO 64 2HB PRO 64 11.016 -6.728 -22.554 503 1HG PRO 64 1HG PRO 64 13.930 -5.746 -22.665 504 2HG PRO 64 2HG PRO 64 12.660 -5.321 -21.440 505 1HD PRO 64 1HD PRO 64 14.480 -7.434 -21.087 506 2HD PRO 64 2HD PRO 64 12.778 -7.480 -20.433 507 H LYS 65 H LYS 65 12.072 -6.782 -25.845 508 HA LYS 65 HA LYS 65 14.116 -8.138 -27.305 509 1HB LYS 65 1HB LYS 65 11.923 -7.491 -28.274 510 2HB LYS 65 2HB LYS 65 12.345 -5.773 -28.103 511 1HG LYS 65 1HG LYS 65 14.361 -6.290 -29.742 512 2HG LYS 65 2HG LYS 65 13.562 -7.879 -29.963 513 1HD LYS 65 1HD LYS 65 12.567 -6.787 -31.707 514 2HD LYS 65 2HD LYS 65 11.394 -6.306 -30.441 515 1HE LYS 65 1HE LYS 65 13.749 -4.646 -31.601 516 2HE LYS 65 2HE LYS 65 11.983 -4.353 -31.851 517 1HZ LYS 65 1HZ LYS 65 12.909 -2.833 -30.278 518 2HZ LYS 65 2HZ LYS 65 11.816 -3.835 -29.453 519 3HZ LYS 65 3HZ LYS 65 13.480 -4.091 -29.295 520 H LYS 66 H LYS 66 13.812 -4.442 -27.245 521 HA LYS 66 HA LYS 66 16.607 -4.147 -26.575 522 1HB LYS 66 1HB LYS 66 15.647 -3.357 -29.393 523 2HB LYS 66 2HB LYS 66 17.109 -2.641 -28.629 524 1HG LYS 66 1HG LYS 66 16.726 -5.635 -29.196 525 2HG LYS 66 2HG LYS 66 17.542 -4.492 -30.300 526 1HD LYS 66 1HD LYS 66 19.364 -4.108 -28.853 527 2HD LYS 66 2HD LYS 66 18.538 -4.757 -27.404 528 1HE LYS 66 1HE LYS 66 19.236 -6.536 -29.832 529 2HE LYS 66 2HE LYS 66 20.368 -6.275 -28.443 530 1HZ LYS 66 1HZ LYS 66 19.010 -7.372 -27.016 531 2HZ LYS 66 2HZ LYS 66 17.595 -7.125 -27.902 532 3HZ LYS 66 3HZ LYS 66 18.751 -8.261 -28.437 533 H GLU 67 H GLU 67 14.636 -1.821 -28.547 534 HA GLU 67 HA GLU 67 14.765 0.060 -26.361 535 1HB GLU 67 1HB GLU 67 14.300 1.784 -27.909 536 2HB GLU 67 2HB GLU 67 15.516 0.673 -28.607 537 1HG GLU 67 1HG GLU 67 12.640 1.178 -29.500 538 2HG GLU 67 2HG GLU 67 14.168 1.325 -30.422 539 H GLU 68 H GLU 68 13.115 -1.409 -25.063 540 HA GLU 68 HA GLU 68 10.301 -0.665 -25.761 541 1HB GLU 68 1HB GLU 68 11.540 -3.101 -24.395 542 2HB GLU 68 2HB GLU 68 9.854 -2.636 -24.004 543 1HG GLU 68 1HG GLU 68 9.795 -4.374 -25.630 544 2HG GLU 68 2HG GLU 68 9.128 -2.858 -26.322 545 H ILE 69 H ILE 69 12.168 -1.476 -22.704 546 HA ILE 69 HA ILE 69 10.162 -0.128 -21.116 547 HB ILE 69 HB ILE 69 12.897 -1.424 -20.612 548 1HG1 ILE 69 1HG1 ILE 69 11.178 -3.008 -21.319 549 2HG1 ILE 69 2HG1 ILE 69 11.624 -3.264 -19.608 550 1HG2 ILE 69 1HG2 ILE 69 12.887 0.050 -18.805 551 2HG2 ILE 69 2HG2 ILE 69 12.061 -1.384 -18.099 552 3HG2 ILE 69 3HG2 ILE 69 11.104 0.050 -18.665 553 1HD1 ILE 69 1HD1 ILE 69 9.170 -3.520 -19.984 554 2HD1 ILE 69 2HD1 ILE 69 9.512 -2.165 -18.859 555 3HD1 ILE 69 3HD1 ILE 69 9.046 -1.837 -20.574 556 H LYS 70 H LYS 70 13.660 0.592 -21.843 557 HA LYS 70 HA LYS 70 13.814 3.132 -20.632 558 1HB LYS 70 1HB LYS 70 15.782 1.766 -21.397 559 2HB LYS 70 2HB LYS 70 15.328 2.103 -23.102 560 1HG LYS 70 1HG LYS 70 15.700 4.564 -22.694 561 2HG LYS 70 2HG LYS 70 16.120 4.208 -20.982 562 1HD LYS 70 1HD LYS 70 18.071 2.844 -21.747 563 2HD LYS 70 2HD LYS 70 17.622 3.163 -23.465 564 1HE LYS 70 1HE LYS 70 17.980 5.638 -23.100 565 2HE LYS 70 2HE LYS 70 18.447 5.313 -21.383 566 1HZ LYS 70 1HZ LYS 70 20.346 5.571 -22.805 567 2HZ LYS 70 2HZ LYS 70 20.288 3.990 -22.194 568 3HZ LYS 70 3HZ LYS 70 19.848 4.296 -23.806 569 H LYS 71 H LYS 71 12.760 2.248 -24.005 570 HA LYS 71 HA LYS 71 12.479 4.857 -25.022 571 1HB LYS 71 1HB LYS 71 12.571 2.712 -26.307 572 2HB LYS 71 2HB LYS 71 10.895 2.347 -25.808 573 1HG LYS 71 1HG LYS 71 11.684 4.884 -27.403 574 2HG LYS 71 2HG LYS 71 11.393 3.278 -28.160 575 1HD LYS 71 1HD LYS 71 9.096 3.270 -26.997 576 2HD LYS 71 2HD LYS 71 9.317 5.031 -26.732 577 1HE LYS 71 1HE LYS 71 9.354 3.539 -29.457 578 2HE LYS 71 2HE LYS 71 7.969 4.497 -28.795 579 1HZ LYS 71 1HZ LYS 71 9.193 6.480 -28.982 580 2HZ LYS 71 2HZ LYS 71 9.377 5.647 -30.440 581 3HZ LYS 71 3HZ LYS 71 10.652 5.664 -29.317 582 H MET 72 H MET 72 9.769 2.779 -23.470 583 HA MET 72 HA MET 72 7.832 4.826 -23.563 584 1HB MET 72 1HB MET 72 8.187 2.419 -21.739 585 2HB MET 72 2HB MET 72 7.021 3.697 -21.282 586 1HG MET 72 1HG MET 72 5.569 2.454 -22.312 587 2HG MET 72 2HG MET 72 6.039 3.444 -23.710 588 1HE MET 72 1HE MET 72 8.420 2.205 -25.263 589 2HE MET 72 2HE MET 72 6.764 2.615 -25.833 590 3HE MET 72 3HE MET 72 7.489 1.019 -26.222 591 H ILE 73 H ILE 73 10.155 4.209 -20.703 592 HA ILE 73 HA ILE 73 9.085 6.357 -19.187 593 HB ILE 73 HB ILE 73 11.883 5.136 -19.089 594 1HG1 ILE 73 1HG1 ILE 73 10.146 3.399 -18.807 595 2HG1 ILE 73 2HG1 ILE 73 11.046 3.695 -17.295 596 1HG2 ILE 73 1HG2 ILE 73 10.373 6.850 -17.000 597 2HG2 ILE 73 2HG2 ILE 73 11.897 7.284 -17.856 598 3HG2 ILE 73 3HG2 ILE 73 11.892 5.929 -16.690 599 1HD1 ILE 73 1HD1 ILE 73 8.195 4.701 -17.940 600 2HD1 ILE 73 2HD1 ILE 73 8.648 3.373 -16.817 601 3HD1 ILE 73 3HD1 ILE 73 9.096 5.067 -16.420 602 H SER 74 H SER 74 12.014 6.439 -21.424 603 HA SER 74 HA SER 74 12.525 9.203 -20.908 604 1HB SER 74 1HB SER 74 14.204 7.473 -21.752 605 2HB SER 74 2HB SER 74 13.389 7.553 -23.353 606 HG SER 74 HG SER 74 14.778 9.583 -21.931 607 H GLU 75 H GLU 75 10.254 7.695 -23.317 608 HA GLU 75 HA GLU 75 10.094 10.093 -24.914 609 1HB GLU 75 1HB GLU 75 9.819 7.789 -25.796 610 2HB GLU 75 2HB GLU 75 8.262 7.641 -24.918 611 1HG GLU 75 1HG GLU 75 7.233 9.374 -26.337 612 2HG GLU 75 2HG GLU 75 8.843 9.864 -26.992 613 H ILE 76 H ILE 76 7.921 8.710 -22.252 614 HA ILE 76 HA ILE 76 6.130 10.987 -22.575 615 HB ILE 76 HB ILE 76 6.077 8.922 -20.365 616 1HG1 ILE 76 1HG1 ILE 76 5.071 8.942 -23.276 617 2HG1 ILE 76 2HG1 ILE 76 6.030 7.678 -22.428 618 1HG2 ILE 76 1HG2 ILE 76 3.646 9.609 -20.299 619 2HG2 ILE 76 2HG2 ILE 76 3.965 10.850 -21.566 620 3HG2 ILE 76 3HG2 ILE 76 4.709 10.982 -19.929 621 1HD1 ILE 76 1HD1 ILE 76 3.037 8.321 -22.084 622 2HD1 ILE 76 2HD1 ILE 76 3.960 7.277 -20.941 623 3HD1 ILE 76 3HD1 ILE 76 3.798 6.806 -22.680 624 H ASP 77 H ASP 77 9.106 10.513 -20.689 625 HA ASP 77 HA ASP 77 8.591 12.800 -18.946 626 1HB ASP 77 1HB ASP 77 10.018 10.755 -18.327 627 2HB ASP 77 2HB ASP 77 11.247 11.337 -19.495 628 H LYS 78 H LYS 78 8.081 14.467 -20.671 629 HA LYS 78 HA LYS 78 10.458 15.393 -22.166 630 1HB LYS 78 1HB LYS 78 8.280 13.965 -23.353 631 2HB LYS 78 2HB LYS 78 8.059 15.656 -23.863 632 1HG LYS 78 1HG LYS 78 9.431 14.847 -25.556 633 2HG LYS 78 2HG LYS 78 10.630 15.596 -24.448 634 1HD LYS 78 1HD LYS 78 10.801 13.170 -23.395 635 2HD LYS 78 2HD LYS 78 9.932 12.634 -24.870 636 1HE LYS 78 1HE LYS 78 11.834 13.625 -26.275 637 2HE LYS 78 2HE LYS 78 12.674 14.074 -24.732 638 1HZ LYS 78 1HZ LYS 78 13.566 12.049 -25.338 639 2HZ LYS 78 2HZ LYS 78 12.073 11.387 -25.808 640 3HZ LYS 78 3HZ LYS 78 12.405 11.620 -24.164 641 H GLU 79 H GLU 79 6.975 16.441 -21.882 642 HA GLU 79 HA GLU 79 7.835 19.206 -22.262 643 1HB GLU 79 1HB GLU 79 5.033 19.312 -22.159 644 2HB GLU 79 2HB GLU 79 6.085 19.319 -23.597 645 1HG GLU 79 1HG GLU 79 4.275 17.681 -23.858 646 2HG GLU 79 2HG GLU 79 5.878 16.864 -23.859 647 H GLY 80 H GLY 80 5.515 17.563 -19.957 648 1HA GLY 80 1HA GLY 80 6.444 19.499 -17.871 649 2HA GLY 80 2HA GLY 80 4.833 18.704 -17.943 650 H THR 81 H THR 81 8.137 17.407 -18.363 651 HA THR 81 HA THR 81 9.129 15.595 -17.747 652 HB THR 81 HB THR 81 9.396 14.923 -15.424 653 HG1 THR 81 HG1 THR 81 7.086 16.493 -15.158 654 1HG2 THR 81 1HG2 THR 81 10.276 17.082 -14.598 655 2HG2 THR 81 2HG2 THR 81 9.295 17.997 -15.799 656 3HG2 THR 81 3HG2 THR 81 10.619 16.905 -16.356 657 H GLY 82 H GLY 82 8.142 13.454 -15.793 658 1HA GLY 82 1HA GLY 82 6.588 12.072 -17.860 659 2HA GLY 82 2HA GLY 82 7.617 11.410 -16.571 660 H LYS 83 H LYS 83 4.528 12.204 -17.625 661 HA LYS 83 HA LYS 83 3.342 10.808 -15.347 662 1HB LYS 83 1HB LYS 83 1.347 12.104 -15.247 663 2HB LYS 83 2HB LYS 83 2.743 13.185 -14.962 664 1HG LYS 83 1HG LYS 83 1.088 13.001 -17.577 665 2HG LYS 83 2HG LYS 83 0.922 14.206 -16.267 666 1HD LYS 83 1HD LYS 83 2.206 15.516 -17.540 667 2HD LYS 83 2HD LYS 83 3.572 14.589 -16.834 668 1HE LYS 83 1HE LYS 83 3.469 13.052 -18.917 669 2HE LYS 83 2HE LYS 83 2.176 14.126 -19.581 670 1HZ LYS 83 1HZ LYS 83 4.369 14.669 -20.425 671 2HZ LYS 83 2HZ LYS 83 3.766 15.939 -19.537 672 3HZ LYS 83 3HZ LYS 83 4.966 14.909 -18.866 673 H MET 84 H MET 84 1.866 9.211 -15.917 674 HA MET 84 HA MET 84 1.085 9.001 -18.776 675 1HB MET 84 1HB MET 84 3.025 7.476 -18.040 676 2HB MET 84 2HB MET 84 1.865 6.668 -16.939 677 1HG MET 84 1HG MET 84 0.447 6.165 -19.033 678 2HG MET 84 2HG MET 84 1.787 6.834 -20.017 679 1HE MET 84 1HE MET 84 2.335 4.916 -21.437 680 2HE MET 84 2HE MET 84 3.335 3.521 -20.906 681 3HE MET 84 3HE MET 84 3.982 5.178 -20.750 682 H ASN 85 H ASN 85 -1.136 8.638 -19.084 683 HA ASN 85 HA ASN 85 -2.805 7.856 -16.734 684 1HB ASN 85 1HB ASN 85 -3.523 9.917 -17.993 685 2HB ASN 85 2HB ASN 85 -3.453 9.002 -19.528 686 1HD2 ASN 85 1HD2 ASN 85 -5.122 8.672 -16.256 687 2HD2 ASN 85 2HD2 ASN 85 -6.678 8.348 -16.939 688 H PHE 86 H PHE 86 -4.700 6.230 -17.534 689 HA PHE 86 HA PHE 86 -3.370 3.841 -18.281 690 1HB PHE 86 1HB PHE 86 -5.400 4.024 -16.752 691 2HB PHE 86 2HB PHE 86 -6.415 4.372 -18.195 692 HD1 PHE 86 HD1 PHE 86 -4.090 1.845 -16.684 693 HD2 PHE 86 HD2 PHE 86 -7.289 2.526 -19.462 694 HE1 PHE 86 HE1 PHE 86 -4.367 -0.595 -16.947 695 HE2 PHE 86 HE2 PHE 86 -7.555 0.082 -19.750 696 HZ PHE 86 HZ PHE 86 -6.099 -1.485 -18.492 697 H GLY 87 H GLY 87 -5.480 6.043 -20.332 698 1HA GLY 87 1HA GLY 87 -5.649 4.375 -22.604 699 2HA GLY 87 2HA GLY 87 -5.644 6.175 -22.564 700 H ASP 88 H ASP 88 -2.940 6.681 -21.684 701 HA ASP 88 HA ASP 88 -1.290 6.198 -23.933 702 1HB ASP 88 1HB ASP 88 -0.340 6.695 -21.043 703 2HB ASP 88 2HB ASP 88 0.592 7.019 -22.551 704 H PHE 89 H PHE 89 -1.184 4.627 -20.591 705 HA PHE 89 HA PHE 89 0.852 2.810 -21.143 706 1HB PHE 89 1HB PHE 89 -0.172 3.421 -18.837 707 2HB PHE 89 2HB PHE 89 -1.504 2.289 -19.212 708 HD1 PHE 89 HD1 PHE 89 2.253 1.792 -19.886 709 HD2 PHE 89 HD2 PHE 89 -1.195 0.697 -17.556 710 HE1 PHE 89 HE1 PHE 89 3.567 0.059 -18.753 711 HE2 PHE 89 HE2 PHE 89 0.143 -1.031 -16.407 712 HZ PHE 89 HZ PHE 89 2.530 -1.346 -16.989 713 H LEU 90 H LEU 90 -2.725 2.146 -21.404 714 HA LEU 90 HA LEU 90 -2.537 -0.517 -22.278 715 1HB LEU 90 1HB LEU 90 -4.618 0.675 -21.475 716 2HB LEU 90 2HB LEU 90 -4.635 1.608 -23.000 717 HG LEU 90 HG LEU 90 -4.920 -0.575 -24.275 718 1HD1 LEU 90 1HD1 LEU 90 -5.239 -1.800 -21.454 719 2HD1 LEU 90 2HD1 LEU 90 -3.957 -2.199 -22.661 720 3HD1 LEU 90 3HD1 LEU 90 -5.675 -2.607 -23.006 721 1HD2 LEU 90 1HD2 LEU 90 -7.317 -0.865 -23.695 722 2HD2 LEU 90 2HD2 LEU 90 -7.066 0.021 -22.143 723 3HD2 LEU 90 3HD2 LEU 90 -6.857 0.878 -23.716 724 H THR 91 H THR 91 -2.880 2.491 -24.449 725 HA THR 91 HA THR 91 -2.678 0.960 -26.821 726 HB THR 91 HB THR 91 -2.357 3.050 -28.058 727 HG1 THR 91 HG1 THR 91 -2.362 4.965 -26.927 728 1HG2 THR 91 1HG2 THR 91 -4.549 3.149 -25.858 729 2HG2 THR 91 2HG2 THR 91 -4.587 3.997 -27.444 730 3HG2 THR 91 3HG2 THR 91 -4.634 2.198 -27.386 731 H VAL 92 H VAL 92 -0.038 2.939 -25.171 732 HA VAL 92 HA VAL 92 1.843 2.238 -27.162 733 HB VAL 92 HB VAL 92 1.940 4.259 -25.657 734 1HG1 VAL 92 1HG1 VAL 92 1.936 2.960 -23.433 735 2HG1 VAL 92 2HG1 VAL 92 3.589 2.384 -23.833 736 3HG1 VAL 92 3HG1 VAL 92 3.281 4.142 -23.626 737 1HG2 VAL 92 1HG2 VAL 92 4.417 4.374 -25.974 738 2HG2 VAL 92 2HG2 VAL 92 3.598 3.664 -27.413 739 3HG2 VAL 92 3HG2 VAL 92 4.476 2.595 -26.256 740 H MET 93 H MET 93 1.411 0.663 -23.849 741 HA MET 93 HA MET 93 3.585 -1.108 -24.318 742 1HB MET 93 1HB MET 93 2.635 -0.469 -22.026 743 2HB MET 93 2HB MET 93 1.314 -1.634 -22.339 744 1HG MET 93 1HG MET 93 3.113 -2.639 -20.972 745 2HG MET 93 2HG MET 93 2.946 -3.485 -22.535 746 1HE MET 93 1HE MET 93 4.789 -0.030 -21.507 747 2HE MET 93 2HE MET 93 6.425 -0.687 -21.175 748 3HE MET 93 3HE MET 93 5.026 -1.237 -20.194 749 H THR 94 H THR 94 -0.053 -1.728 -24.797 750 HA THR 94 HA THR 94 0.400 -4.391 -25.686 751 HB THR 94 HB THR 94 -1.787 -4.455 -26.686 752 HG1 THR 94 HG1 THR 94 -2.053 -1.742 -25.876 753 1HG2 THR 94 1HG2 THR 94 -1.467 -4.826 -24.225 754 2HG2 THR 94 2HG2 THR 94 -3.070 -4.094 -24.591 755 3HG2 THR 94 3HG2 THR 94 -1.748 -3.077 -23.906 756 H GLN 95 H GLN 95 0.030 -1.344 -27.848 757 HA GLN 95 HA GLN 95 0.529 -2.836 -30.179 758 1HB GLN 95 1HB GLN 95 -0.455 -0.526 -30.106 759 2HB GLN 95 2HB GLN 95 1.157 0.120 -29.674 760 1HG GLN 95 1HG GLN 95 0.681 0.542 -32.035 761 2HG GLN 95 2HG GLN 95 2.043 -0.620 -31.935 762 1HE2 GLN 95 1HE2 GLN 95 1.528 -2.973 -32.352 763 2HE2 GLN 95 2HE2 GLN 95 0.186 -3.386 -33.352 764 H LYS 96 H LYS 96 3.077 -1.444 -27.934 765 HA LYS 96 HA LYS 96 5.230 -1.979 -29.740 766 1HB LYS 96 1HB LYS 96 5.239 -0.502 -27.576 767 2HB LYS 96 2HB LYS 96 5.470 -2.034 -26.687 768 1HG LYS 96 1HG LYS 96 7.642 -1.091 -26.984 769 2HG LYS 96 2HG LYS 96 7.568 -2.405 -28.204 770 1HD LYS 96 1HD LYS 96 7.017 -0.672 -29.979 771 2HD LYS 96 2HD LYS 96 7.024 0.596 -28.710 772 1HE LYS 96 1HE LYS 96 9.134 0.711 -29.937 773 2HE LYS 96 2HE LYS 96 9.478 0.116 -28.264 774 1HZ LYS 96 1HZ LYS 96 9.136 -1.669 -30.623 775 2HZ LYS 96 2HZ LYS 96 10.639 -1.063 -30.092 776 3HZ LYS 96 3HZ LYS 96 9.747 -2.081 -29.086 777 H MET 97 H MET 97 3.734 -4.140 -27.116 778 HA MET 97 HA MET 97 5.576 -6.309 -27.775 779 1HB MET 97 1HB MET 97 3.045 -6.252 -26.042 780 2HB MET 97 2HB MET 97 4.137 -7.672 -26.227 781 1HG MET 97 1HG MET 97 6.042 -6.321 -25.352 782 2HG MET 97 2HG MET 97 4.950 -4.925 -25.085 783 1HE MET 97 1HE MET 97 6.332 -5.196 -22.689 784 2HE MET 97 2HE MET 97 6.167 -6.640 -21.629 785 3HE MET 97 3HE MET 97 6.988 -6.785 -23.217 786 H SER 98 H SER 98 1.873 -6.086 -28.131 787 HA SER 98 HA SER 98 1.947 -8.169 -30.154 788 1HB SER 98 1HB SER 98 -0.529 -7.932 -30.293 789 2HB SER 98 2HB SER 98 0.081 -8.394 -28.659 790 HG SER 98 HG SER 98 -0.371 -5.730 -29.430 Start of MODEL 2 1 1H MET 1 1H MET 1 28.324 -10.430 -24.288 2 2H MET 1 2H MET 1 29.570 -10.287 -23.136 3 3H MET 1 3H MET 1 28.959 -11.818 -23.548 4 HA MET 1 HA MET 1 28.143 -11.133 -21.425 5 1HB MET 1 1HB MET 1 26.873 -8.801 -23.005 6 2HB MET 1 2HB MET 1 26.476 -9.231 -21.308 7 1HG MET 1 1HG MET 1 28.832 -8.783 -20.624 8 2HG MET 1 2HG MET 1 29.262 -8.386 -22.316 9 1HE MET 1 1HE MET 1 27.418 -7.376 -19.048 10 2HE MET 1 2HE MET 1 25.977 -7.404 -20.125 11 3HE MET 1 3HE MET 1 26.570 -5.849 -19.461 12 H ALA 2 H ALA 2 25.660 -10.231 -24.041 13 HA ALA 2 HA ALA 2 23.899 -12.284 -23.069 14 1HB ALA 2 1HB ALA 2 22.347 -11.560 -24.865 15 2HB ALA 2 2HB ALA 2 23.648 -10.533 -25.576 16 3HB ALA 2 3HB ALA 2 22.977 -10.149 -23.947 17 H SER 3 H SER 3 23.838 -14.440 -23.694 18 HA SER 3 HA SER 3 25.396 -15.271 -26.042 19 1HB SER 3 1HB SER 3 25.773 -16.349 -23.783 20 2HB SER 3 2HB SER 3 24.109 -17.032 -23.872 21 HG SER 3 HG SER 3 24.734 -18.208 -25.637 22 H ASN 4 H ASN 4 24.381 -15.736 -27.993 23 HA ASN 4 HA ASN 4 21.499 -15.994 -28.112 24 1HB ASN 4 1HB ASN 4 22.878 -14.682 -29.789 25 2HB ASN 4 2HB ASN 4 23.519 -16.236 -30.424 26 1HD2 ASN 4 1HD2 ASN 4 22.483 -15.216 -32.451 27 2HD2 ASN 4 2HD2 ASN 4 20.811 -15.557 -32.758 28 H PHE 5 H PHE 5 24.052 -18.217 -29.631 29 HA PHE 5 HA PHE 5 21.987 -20.269 -29.789 30 1HB PHE 5 1HB PHE 5 24.874 -20.314 -30.855 31 2HB PHE 5 2HB PHE 5 23.582 -21.515 -31.236 32 HD1 PHE 5 HD1 PHE 5 25.196 -18.627 -32.432 33 HD2 PHE 5 HD2 PHE 5 21.278 -20.375 -32.085 34 HE1 PHE 5 HE1 PHE 5 24.409 -17.252 -34.329 35 HE2 PHE 5 HE2 PHE 5 20.497 -18.993 -33.976 36 HZ PHE 5 HZ PHE 5 22.061 -17.434 -35.107 37 H LYS 6 H LYS 6 21.825 -20.913 -27.482 38 HA LYS 6 HA LYS 6 23.738 -23.100 -26.939 39 1HB LYS 6 1HB LYS 6 22.734 -21.126 -24.819 40 2HB LYS 6 2HB LYS 6 23.388 -22.757 -24.431 41 1HG LYS 6 1HG LYS 6 25.533 -22.203 -25.563 42 2HG LYS 6 2HG LYS 6 24.945 -20.538 -25.887 43 1HD LYS 6 1HD LYS 6 24.778 -20.081 -23.466 44 2HD LYS 6 2HD LYS 6 25.203 -21.790 -23.079 45 1HE LYS 6 1HE LYS 6 27.480 -21.498 -24.058 46 2HE LYS 6 2HE LYS 6 27.079 -19.804 -24.548 47 1HZ LYS 6 1HZ LYS 6 26.791 -19.249 -22.236 48 2HZ LYS 6 2HZ LYS 6 28.335 -19.892 -22.521 49 3HZ LYS 6 3HZ LYS 6 27.150 -20.841 -21.760 50 H LYS 7 H LYS 7 22.120 -24.535 -27.944 51 HA LYS 7 HA LYS 7 19.900 -25.210 -26.121 52 1HB LYS 7 1HB LYS 7 19.589 -24.875 -29.169 53 2HB LYS 7 2HB LYS 7 18.377 -25.640 -28.083 54 1HG LYS 7 1HG LYS 7 18.051 -23.466 -26.895 55 2HG LYS 7 2HG LYS 7 19.318 -22.709 -27.920 56 1HD LYS 7 1HD LYS 7 17.158 -22.059 -28.782 57 2HD LYS 7 2HD LYS 7 17.970 -23.145 -29.965 58 1HE LYS 7 1HE LYS 7 16.519 -25.075 -29.155 59 2HE LYS 7 2HE LYS 7 15.704 -23.947 -27.999 60 1HZ LYS 7 1HZ LYS 7 14.979 -22.646 -29.895 61 2HZ LYS 7 2HZ LYS 7 14.457 -24.259 -30.008 62 3HZ LYS 7 3HZ LYS 7 15.751 -23.718 -30.963 63 H ALA 8 H ALA 8 20.601 -27.317 -25.536 64 HA ALA 8 HA ALA 8 21.658 -29.126 -27.589 65 1HB ALA 8 1HB ALA 8 21.165 -29.606 -24.596 66 2HB ALA 8 2HB ALA 8 22.740 -29.171 -25.356 67 3HB ALA 8 3HB ALA 8 21.969 -30.753 -25.734 68 H ASN 9 H ASN 9 19.697 -29.362 -28.945 69 HA ASN 9 HA ASN 9 17.278 -30.435 -27.726 70 1HB ASN 9 1HB ASN 9 17.963 -29.818 -30.655 71 2HB ASN 9 2HB ASN 9 16.390 -30.519 -30.132 72 1HD2 ASN 9 1HD2 ASN 9 15.251 -29.279 -28.272 73 2HD2 ASN 9 2HD2 ASN 9 15.279 -27.550 -28.349 74 H MET 10 H MET 10 17.517 -32.557 -26.992 75 HA MET 10 HA MET 10 18.633 -34.675 -28.559 76 1HB MET 10 1HB MET 10 18.376 -34.712 -26.060 77 2HB MET 10 2HB MET 10 16.598 -34.851 -26.266 78 1HG MET 10 1HG MET 10 16.925 -37.040 -27.459 79 2HG MET 10 2HG MET 10 18.700 -36.855 -27.304 80 1HE MET 10 1HE MET 10 18.844 -39.232 -26.368 81 2HE MET 10 2HE MET 10 17.879 -39.872 -24.994 82 3HE MET 10 3HE MET 10 17.061 -39.401 -26.522 83 H ALA 11 H ALA 11 15.125 -33.657 -28.101 84 HA ALA 11 HA ALA 11 14.152 -35.621 -29.968 85 1HB ALA 11 1HB ALA 11 12.655 -34.755 -28.176 86 2HB ALA 11 2HB ALA 11 12.755 -33.107 -28.897 87 3HB ALA 11 3HB ALA 11 11.966 -34.449 -29.809 88 H SER 12 H SER 12 13.372 -35.306 -32.144 89 HA SER 12 HA SER 12 14.856 -33.334 -33.647 90 1HB SER 12 1HB SER 12 12.824 -35.415 -34.637 91 2HB SER 12 2HB SER 12 13.898 -34.405 -35.679 92 HG SER 12 HG SER 12 14.621 -36.399 -33.802 93 H SER 13 H SER 13 14.174 -31.290 -34.213 94 HA SER 13 HA SER 13 11.533 -30.399 -33.656 95 1HB SER 13 1HB SER 13 13.736 -28.970 -35.253 96 2HB SER 13 2HB SER 13 12.292 -28.191 -34.493 97 HG SER 13 HG SER 13 14.242 -28.076 -33.266 98 H SER 14 H SER 14 9.880 -29.515 -35.075 99 HA SER 14 HA SER 14 9.667 -30.716 -37.700 100 1HB SER 14 1HB SER 14 7.877 -28.613 -36.346 101 2HB SER 14 2HB SER 14 7.507 -29.473 -37.892 102 HG SER 14 HG SER 14 7.832 -30.603 -35.308 103 H GLN 15 H GLN 15 9.805 -29.699 -39.783 104 HA GLN 15 HA GLN 15 11.686 -27.527 -39.833 105 1HB GLN 15 1HB GLN 15 10.391 -29.015 -42.170 106 2HB GLN 15 2HB GLN 15 11.797 -27.897 -42.271 107 1HG GLN 15 1HG GLN 15 13.123 -29.418 -40.770 108 2HG GLN 15 2HG GLN 15 11.738 -30.569 -40.703 109 1HE2 GLN 15 1HE2 GLN 15 11.836 -32.208 -42.242 110 2HE2 GLN 15 2HE2 GLN 15 12.651 -32.112 -43.769 111 H ARG 16 H ARG 16 9.897 -25.968 -38.844 112 HA ARG 16 HA ARG 16 9.291 -24.101 -40.960 113 1HB ARG 16 1HB ARG 16 7.188 -25.570 -40.791 114 2HB ARG 16 2HB ARG 16 6.929 -24.918 -39.152 115 1HG ARG 16 1HG ARG 16 6.868 -22.576 -40.215 116 2HG ARG 16 2HG ARG 16 7.079 -23.362 -41.821 117 1HD ARG 16 1HD ARG 16 4.910 -24.620 -41.498 118 2HD ARG 16 2HD ARG 16 4.699 -23.804 -39.884 119 HE ARG 16 HE ARG 16 5.142 -21.859 -42.004 120 1HH1 ARG 16 1HH1 ARG 16 2.638 -24.066 -40.685 121 2HH1 ARG 16 2HH1 ARG 16 1.309 -23.127 -41.224 122 1HH2 ARG 16 1HH2 ARG 16 3.301 -20.577 -42.754 123 2HH2 ARG 16 2HH2 ARG 16 1.698 -21.092 -42.432 124 H LYS 17 H LYS 17 7.566 -23.724 -37.844 125 HA LYS 17 HA LYS 17 9.794 -22.964 -36.300 126 1HB LYS 17 1HB LYS 17 9.463 -20.836 -37.737 127 2HB LYS 17 2HB LYS 17 7.894 -20.617 -36.939 128 1HG LYS 17 1HG LYS 17 9.571 -19.172 -35.906 129 2HG LYS 17 2HG LYS 17 9.052 -20.401 -34.715 130 1HD LYS 17 1HD LYS 17 11.480 -19.993 -34.586 131 2HD LYS 17 2HD LYS 17 11.122 -21.689 -35.019 132 1HE LYS 17 1HE LYS 17 13.075 -20.799 -36.301 133 2HE LYS 17 2HE LYS 17 11.728 -21.252 -37.412 134 1HZ LYS 17 1HZ LYS 17 11.107 -18.929 -37.514 135 2HZ LYS 17 2HZ LYS 17 12.711 -19.170 -38.006 136 3HZ LYS 17 3HZ LYS 17 12.385 -18.501 -36.481 137 H ARG 18 H ARG 18 6.899 -21.151 -35.375 138 HA ARG 18 HA ARG 18 5.438 -23.478 -34.376 139 1HB ARG 18 1HB ARG 18 6.248 -21.106 -32.567 140 2HB ARG 18 2HB ARG 18 4.974 -22.310 -32.168 141 1HG ARG 18 1HG ARG 18 6.704 -24.129 -32.154 142 2HG ARG 18 2HG ARG 18 7.965 -22.927 -32.576 143 1HD ARG 18 1HD ARG 18 8.025 -23.401 -30.134 144 2HD ARG 18 2HD ARG 18 7.535 -21.676 -30.445 145 HE ARG 18 HE ARG 18 5.232 -23.472 -30.255 146 1HH1 ARG 18 1HH1 ARG 18 7.638 -21.698 -28.267 147 2HH1 ARG 18 2HH1 ARG 18 6.621 -21.561 -26.893 148 1HH2 ARG 18 1HH2 ARG 18 3.842 -23.274 -28.352 149 2HH2 ARG 18 2HH2 ARG 18 4.409 -22.477 -26.946 150 H MET 19 H MET 19 3.875 -22.834 -36.105 151 HA MET 19 HA MET 19 2.814 -20.072 -35.940 152 1HB MET 19 1HB MET 19 2.641 -22.141 -38.182 153 2HB MET 19 2HB MET 19 1.656 -20.642 -38.136 154 1HG MET 19 1HG MET 19 3.465 -20.169 -39.552 155 2HG MET 19 2HG MET 19 3.707 -19.242 -38.042 156 1HE MET 19 1HE MET 19 7.304 -19.865 -39.441 157 2HE MET 19 2HE MET 19 6.091 -18.666 -38.872 158 3HE MET 19 3HE MET 19 5.782 -19.621 -40.363 159 H SER 20 H SER 20 0.980 -19.744 -34.823 160 HA SER 20 HA SER 20 -1.297 -21.586 -35.084 161 1HB SER 20 1HB SER 20 -0.231 -20.605 -32.361 162 2HB SER 20 2HB SER 20 -1.789 -21.479 -32.632 163 HG SER 20 HG SER 20 -0.139 -22.850 -31.966 164 HA PRO 21 HA PRO 21 -2.379 -17.124 -35.598 165 1HB PRO 21 1HB PRO 21 -5.071 -18.386 -36.390 166 2HB PRO 21 2HB PRO 21 -4.243 -16.970 -37.163 167 1HG PRO 21 1HG PRO 21 -4.051 -19.426 -38.323 168 2HG PRO 21 2HG PRO 21 -2.551 -18.425 -38.138 169 1HD PRO 21 1HD PRO 21 -3.479 -20.769 -36.385 170 2HD PRO 21 2HD PRO 21 -1.812 -20.380 -37.015 171 H LYS 22 H LYS 22 -3.076 -15.600 -34.155 172 HA LYS 22 HA LYS 22 -5.418 -15.900 -32.502 173 1HB LYS 22 1HB LYS 22 -3.882 -17.217 -31.093 174 2HB LYS 22 2HB LYS 22 -2.606 -15.976 -31.297 175 1HG LYS 22 1HG LYS 22 -3.421 -15.725 -29.084 176 2HG LYS 22 2HG LYS 22 -4.001 -14.323 -30.006 177 1HD LYS 22 1HD LYS 22 -5.878 -14.732 -28.863 178 2HD LYS 22 2HD LYS 22 -6.267 -15.833 -30.220 179 1HE LYS 22 1HE LYS 22 -5.741 -17.804 -28.877 180 2HE LYS 22 2HE LYS 22 -4.760 -16.842 -27.707 181 1HZ LYS 22 1HZ LYS 22 -6.859 -17.497 -26.782 182 2HZ LYS 22 2HZ LYS 22 -6.748 -15.825 -26.874 183 3HZ LYS 22 3HZ LYS 22 -7.714 -16.666 -27.990 184 HA PRO 23 HA PRO 23 -4.274 -11.434 -33.139 185 1HB PRO 23 1HB PRO 23 -6.759 -10.227 -32.807 186 2HB PRO 23 2HB PRO 23 -6.350 -11.192 -34.279 187 1HG PRO 23 1HG PRO 23 -7.839 -12.139 -31.769 188 2HG PRO 23 2HG PRO 23 -8.356 -12.312 -33.497 189 1HD PRO 23 1HD PRO 23 -7.020 -14.325 -32.090 190 2HD PRO 23 2HD PRO 23 -6.746 -14.070 -33.876 191 H GLU 24 H GLU 24 -4.003 -9.522 -31.831 192 HA GLU 24 HA GLU 24 -3.538 -8.398 -30.050 193 1HB GLU 24 1HB GLU 24 -5.207 -7.413 -28.751 194 2HB GLU 24 2HB GLU 24 -5.765 -7.608 -30.422 195 1HG GLU 24 1HG GLU 24 -6.576 -9.648 -28.239 196 2HG GLU 24 2HG GLU 24 -7.384 -8.047 -28.385 197 H LEU 25 H LEU 25 -4.103 -8.148 -27.318 198 HA LEU 25 HA LEU 25 -2.508 -10.162 -26.036 199 1HB LEU 25 1HB LEU 25 -4.335 -7.895 -25.057 200 2HB LEU 25 2HB LEU 25 -3.480 -8.963 -23.913 201 HG LEU 25 HG LEU 25 -1.288 -8.234 -24.773 202 1HD1 LEU 25 1HD1 LEU 25 -1.012 -6.223 -26.199 203 2HD1 LEU 25 2HD1 LEU 25 -2.762 -6.277 -26.632 204 3HD1 LEU 25 3HD1 LEU 25 -1.650 -7.622 -27.105 205 1HD2 LEU 25 1HD2 LEU 25 -1.319 -5.942 -23.810 206 2HD2 LEU 25 2HD2 LEU 25 -2.348 -7.059 -22.848 207 3HD2 LEU 25 3HD2 LEU 25 -3.114 -5.878 -23.971 208 H THR 26 H THR 26 -3.187 -12.092 -24.943 209 HA THR 26 HA THR 26 -5.842 -12.995 -25.625 210 HB THR 26 HB THR 26 -4.880 -15.193 -24.837 211 HG1 THR 26 HG1 THR 26 -2.856 -15.253 -24.108 212 1HG2 THR 26 1HG2 THR 26 -3.001 -13.533 -26.673 213 2HG2 THR 26 2HG2 THR 26 -4.598 -14.171 -27.172 214 3HG2 THR 26 3HG2 THR 26 -3.276 -15.308 -26.700 215 H GLU 27 H GLU 27 -4.441 -14.123 -22.574 216 HA GLU 27 HA GLU 27 -6.835 -13.115 -21.090 217 1HB GLU 27 1HB GLU 27 -5.424 -15.838 -20.708 218 2HB GLU 27 2HB GLU 27 -6.849 -15.221 -19.817 219 1HG GLU 27 1HG GLU 27 -7.707 -16.802 -21.348 220 2HG GLU 27 2HG GLU 27 -8.129 -15.208 -22.068 221 H GLU 28 H GLU 28 -3.574 -14.658 -20.523 222 HA GLU 28 HA GLU 28 -2.919 -13.389 -18.121 223 1HB GLU 28 1HB GLU 28 -1.789 -15.385 -19.082 224 2HB GLU 28 2HB GLU 28 -1.091 -14.368 -20.387 225 1HG GLU 28 1HG GLU 28 0.288 -13.122 -18.716 226 2HG GLU 28 2HG GLU 28 -0.503 -14.027 -17.366 227 H GLN 29 H GLN 29 -1.991 -12.190 -21.537 228 HA GLN 29 HA GLN 29 -0.567 -9.940 -20.551 229 1HB GLN 29 1HB GLN 29 -2.022 -10.319 -23.203 230 2HB GLN 29 2HB GLN 29 -0.765 -9.060 -22.870 231 1HG GLN 29 1HG GLN 29 0.974 -10.743 -22.638 232 2HG GLN 29 2HG GLN 29 -0.204 -12.100 -22.670 233 1HE2 GLN 29 1HE2 GLN 29 -0.833 -12.939 -24.669 234 2HE2 GLN 29 2HE2 GLN 29 -0.449 -12.226 -26.204 235 H LYS 30 H LYS 30 -4.084 -10.202 -21.470 236 HA LYS 30 HA LYS 30 -4.870 -7.530 -21.103 237 1HB LYS 30 1HB LYS 30 -6.385 -10.138 -20.548 238 2HB LYS 30 2HB LYS 30 -7.156 -8.521 -20.424 239 1HG LYS 30 1HG LYS 30 -5.858 -9.617 -22.995 240 2HG LYS 30 2HG LYS 30 -7.596 -9.734 -22.578 241 1HD LYS 30 1HD LYS 30 -7.725 -7.226 -22.424 242 2HD LYS 30 2HD LYS 30 -6.014 -7.120 -22.980 243 1HE LYS 30 1HE LYS 30 -6.626 -8.224 -25.144 244 2HE LYS 30 2HE LYS 30 -8.338 -8.402 -24.587 245 1HZ LYS 30 1HZ LYS 30 -8.479 -6.002 -24.485 246 2HZ LYS 30 2HZ LYS 30 -8.025 -6.531 -26.033 247 3HZ LYS 30 3HZ LYS 30 -6.866 -5.846 -24.999 248 H GLN 31 H GLN 31 -4.931 -10.180 -18.683 249 HA GLN 31 HA GLN 31 -5.439 -8.719 -16.362 250 1HB GLN 31 1HB GLN 31 -5.461 -11.222 -16.588 251 2HB GLN 31 2HB GLN 31 -3.674 -11.202 -16.702 252 1HG GLN 31 1HG GLN 31 -3.582 -10.235 -14.330 253 2HG GLN 31 2HG GLN 31 -5.380 -10.310 -14.271 254 1HE2 GLN 31 1HE2 GLN 31 -2.472 -12.394 -15.009 255 2HE2 GLN 31 2HE2 GLN 31 -3.126 -13.850 -14.333 256 H GLU 32 H GLU 32 -2.035 -9.395 -17.787 257 HA GLU 32 HA GLU 32 -0.546 -8.176 -15.802 258 1HB GLU 32 1HB GLU 32 -0.102 -8.089 -18.829 259 2HB GLU 32 2HB GLU 32 1.102 -7.479 -17.645 260 1HG GLU 32 1HG GLU 32 1.393 -9.703 -16.649 261 2HG GLU 32 2HG GLU 32 0.115 -10.393 -17.705 262 H ILE 33 H ILE 33 -1.914 -6.312 -18.670 263 HA ILE 33 HA ILE 33 -0.903 -3.810 -17.654 264 HB ILE 33 HB ILE 33 -2.833 -4.576 -19.869 265 1HG1 ILE 33 1HG1 ILE 33 -1.100 -3.356 -21.267 266 2HG1 ILE 33 2HG1 ILE 33 -0.068 -3.195 -19.814 267 1HG2 ILE 33 1HG2 ILE 33 -2.817 -2.105 -20.538 268 2HG2 ILE 33 2HG2 ILE 33 -2.186 -1.722 -18.895 269 3HG2 ILE 33 3HG2 ILE 33 -3.810 -2.486 -19.099 270 1HD1 ILE 33 1HD1 ILE 33 -0.951 -5.874 -21.084 271 2HD1 ILE 33 2HD1 ILE 33 0.622 -5.051 -21.371 272 3HD1 ILE 33 3HD1 ILE 33 0.234 -5.672 -19.735 273 H ARG 34 H ARG 34 -4.343 -5.235 -17.497 274 HA ARG 34 HA ARG 34 -5.372 -3.025 -16.030 275 1HB ARG 34 1HB ARG 34 -6.885 -4.613 -17.122 276 2HB ARG 34 2HB ARG 34 -6.327 -5.952 -16.070 277 1HG ARG 34 1HG ARG 34 -7.443 -3.446 -14.755 278 2HG ARG 34 2HG ARG 34 -8.605 -4.503 -15.623 279 1HD ARG 34 1HD ARG 34 -8.305 -6.359 -14.154 280 2HD ARG 34 2HD ARG 34 -6.748 -5.733 -13.495 281 HE ARG 34 HE ARG 34 -8.709 -3.780 -12.866 282 1HH1 ARG 34 1HH1 ARG 34 -7.543 -7.051 -11.844 283 2HH1 ARG 34 2HH1 ARG 34 -8.288 -6.973 -10.338 284 1HH2 ARG 34 1HH2 ARG 34 -9.337 -3.591 -10.660 285 2HH2 ARG 34 2HH2 ARG 34 -9.364 -4.950 -9.618 286 H GLU 35 H GLU 35 -4.086 -6.266 -14.700 287 HA GLU 35 HA GLU 35 -4.522 -5.552 -12.041 288 1HB GLU 35 1HB GLU 35 -3.722 -7.891 -13.211 289 2HB GLU 35 2HB GLU 35 -2.187 -7.369 -12.465 290 1HG GLU 35 1HG GLU 35 -3.365 -8.783 -10.869 291 2HG GLU 35 2HG GLU 35 -3.527 -7.096 -10.255 292 H ALA 36 H ALA 36 -1.458 -4.889 -13.997 293 HA ALA 36 HA ALA 36 -0.047 -3.790 -11.802 294 1HB ALA 36 1HB ALA 36 1.084 -4.389 -13.935 295 2HB ALA 36 2HB ALA 36 1.404 -2.672 -13.505 296 3HB ALA 36 3HB ALA 36 0.195 -3.078 -14.784 297 H PHE 37 H PHE 37 -1.905 -1.896 -14.393 298 HA PHE 37 HA PHE 37 -1.455 0.602 -13.152 299 1HB PHE 37 1HB PHE 37 -2.329 -0.034 -15.575 300 2HB PHE 37 2HB PHE 37 -3.966 0.003 -14.842 301 HD1 PHE 37 HD1 PHE 37 -1.251 1.899 -16.237 302 HD2 PHE 37 HD2 PHE 37 -4.649 2.241 -13.617 303 HE1 PHE 37 HE1 PHE 37 -1.255 4.349 -16.550 304 HE2 PHE 37 HE2 PHE 37 -4.600 4.694 -13.878 305 HZ PHE 37 HZ PHE 37 -2.897 5.751 -15.334 306 H ASP 38 H ASP 38 -4.398 -1.616 -12.771 307 HA ASP 38 HA ASP 38 -5.785 0.043 -10.925 308 1HB ASP 38 1HB ASP 38 -6.570 -1.976 -12.342 309 2HB ASP 38 2HB ASP 38 -5.806 -3.035 -11.119 310 H LEU 39 H LEU 39 -3.161 -2.519 -10.229 311 HA LEU 39 HA LEU 39 -3.396 -2.466 -7.449 312 1HB LEU 39 1HB LEU 39 -1.036 -2.998 -9.283 313 2HB LEU 39 2HB LEU 39 -0.764 -2.890 -7.515 314 HG LEU 39 HG LEU 39 -2.820 -4.798 -8.743 315 1HD1 LEU 39 1HD1 LEU 39 -0.562 -5.354 -9.628 316 2HD1 LEU 39 2HD1 LEU 39 0.102 -5.403 -7.952 317 3HD1 LEU 39 3HD1 LEU 39 -1.137 -6.609 -8.471 318 1HD2 LEU 39 1HD2 LEU 39 -3.221 -4.303 -6.339 319 2HD2 LEU 39 2HD2 LEU 39 -2.635 -5.988 -6.555 320 3HD2 LEU 39 3HD2 LEU 39 -1.509 -4.716 -5.950 321 H PHE 40 H PHE 40 -1.397 -0.212 -9.506 322 HA PHE 40 HA PHE 40 -0.648 1.334 -7.146 323 1HB PHE 40 1HB PHE 40 -0.114 1.874 -10.110 324 2HB PHE 40 2HB PHE 40 0.557 2.839 -8.726 325 HD1 PHE 40 HD1 PHE 40 1.116 -0.048 -10.809 326 HD2 PHE 40 HD2 PHE 40 1.755 1.461 -6.838 327 HE1 PHE 40 HE1 PHE 40 2.878 -1.737 -10.451 328 HE2 PHE 40 HE2 PHE 40 3.546 -0.205 -6.495 329 HZ PHE 40 HZ PHE 40 4.110 -1.814 -8.301 330 H ASP 41 H ASP 41 -3.018 1.922 -9.927 331 HA ASP 41 HA ASP 41 -4.051 4.310 -8.562 332 1HB ASP 41 1HB ASP 41 -3.796 3.973 -11.128 333 2HB ASP 41 2HB ASP 41 -5.137 2.793 -11.025 334 H ALA 42 H ALA 42 -4.613 3.044 -6.519 335 HA ALA 42 HA ALA 42 -6.277 0.743 -6.648 336 1HB ALA 42 1HB ALA 42 -5.641 2.504 -4.212 337 2HB ALA 42 2HB ALA 42 -4.650 1.121 -4.808 338 3HB ALA 42 3HB ALA 42 -6.305 0.826 -4.163 339 H ASP 43 H ASP 43 -7.159 4.107 -5.557 340 HA ASP 43 HA ASP 43 -9.891 3.370 -4.981 341 1HB ASP 43 1HB ASP 43 -8.549 6.131 -5.162 342 2HB ASP 43 2HB ASP 43 -10.220 5.839 -4.552 343 H GLY 44 H GLY 44 -8.350 4.505 -7.997 344 1HA GLY 44 1HA GLY 44 -9.435 4.530 -10.020 345 2HA GLY 44 2HA GLY 44 -10.997 4.933 -9.223 346 H THR 45 H THR 45 -7.750 6.240 -10.127 347 HA THR 45 HA THR 45 -8.830 8.993 -9.790 348 HB THR 45 HB THR 45 -6.507 9.741 -9.333 349 HG1 THR 45 HG1 THR 45 -5.010 8.215 -8.813 350 1HG2 THR 45 1HG2 THR 45 -6.585 8.929 -6.967 351 2HG2 THR 45 2HG2 THR 45 -8.249 9.297 -7.550 352 3HG2 THR 45 3HG2 THR 45 -7.693 7.588 -7.434 353 H GLY 46 H GLY 46 -6.087 7.462 -11.769 354 1HA GLY 46 1HA GLY 46 -6.820 8.184 -14.249 355 2HA GLY 46 2HA GLY 46 -6.275 9.754 -13.559 356 H THR 47 H THR 47 -3.969 9.359 -12.280 357 HA THR 47 HA THR 47 -2.206 8.201 -14.342 358 HB THR 47 HB THR 47 -0.456 9.798 -13.754 359 HG1 THR 47 HG1 THR 47 -0.762 10.615 -11.873 360 1HG2 THR 47 1HG2 THR 47 -1.525 11.740 -14.889 361 2HG2 THR 47 2HG2 THR 47 -3.166 11.086 -14.540 362 3HG2 THR 47 3HG2 THR 47 -2.057 10.197 -15.651 363 H ILE 48 H ILE 48 -0.536 6.904 -13.848 364 HA ILE 48 HA ILE 48 -0.035 6.199 -10.997 365 HB ILE 48 HB ILE 48 -0.559 4.186 -12.236 366 1HG1 ILE 48 1HG1 ILE 48 2.482 4.523 -11.825 367 2HG1 ILE 48 2HG1 ILE 48 1.271 3.983 -10.621 368 1HG2 ILE 48 1HG2 ILE 48 0.512 3.523 -14.335 369 2HG2 ILE 48 2HG2 ILE 48 -0.190 5.149 -14.549 370 3HG2 ILE 48 3HG2 ILE 48 1.578 4.969 -14.321 371 1HD1 ILE 48 1HD1 ILE 48 2.487 2.033 -11.486 372 2HD1 ILE 48 2HD1 ILE 48 0.806 1.955 -12.142 373 3HD1 ILE 48 3HD1 ILE 48 2.169 2.498 -13.191 374 H ASP 49 H ASP 49 1.768 7.251 -10.218 375 HA ASP 49 HA ASP 49 3.320 8.837 -12.138 376 1HB ASP 49 1HB ASP 49 2.983 9.160 -9.126 377 2HB ASP 49 2HB ASP 49 4.062 10.185 -10.142 378 H VAL 50 H VAL 50 5.487 9.283 -11.943 379 HA VAL 50 HA VAL 50 7.074 7.377 -12.633 380 HB VAL 50 HB VAL 50 7.551 9.679 -12.898 381 1HG1 VAL 50 1HG1 VAL 50 7.014 10.491 -10.589 382 2HG1 VAL 50 2HG1 VAL 50 8.620 11.058 -11.158 383 3HG1 VAL 50 3HG1 VAL 50 8.524 9.719 -9.964 384 1HG2 VAL 50 1HG2 VAL 50 9.335 7.979 -13.322 385 2HG2 VAL 50 2HG2 VAL 50 9.998 9.579 -12.829 386 3HG2 VAL 50 3HG2 VAL 50 9.969 8.220 -11.650 387 H LYS 51 H LYS 51 7.130 8.060 -9.031 388 HA LYS 51 HA LYS 51 9.091 6.135 -8.375 389 1HB LYS 51 1HB LYS 51 6.618 6.863 -6.702 390 2HB LYS 51 2HB LYS 51 8.162 6.162 -6.101 391 1HG LYS 51 1HG LYS 51 9.342 8.283 -6.807 392 2HG LYS 51 2HG LYS 51 7.767 8.951 -7.374 393 1HD LYS 51 1HD LYS 51 6.844 8.594 -5.024 394 2HD LYS 51 2HD LYS 51 8.512 8.228 -4.478 395 1HE LYS 51 1HE LYS 51 7.516 10.873 -5.775 396 2HE LYS 51 2HE LYS 51 7.885 10.616 -4.023 397 1HZ LYS 51 1HZ LYS 51 10.174 10.190 -4.623 398 2HZ LYS 51 2HZ LYS 51 9.825 10.425 -6.270 399 3HZ LYS 51 3HZ LYS 51 9.664 11.711 -5.175 400 H GLU 52 H GLU 52 5.485 5.696 -8.167 401 HA GLU 52 HA GLU 52 5.537 2.859 -7.782 402 1HB GLU 52 1HB GLU 52 3.337 4.789 -8.730 403 2HB GLU 52 2HB GLU 52 3.051 3.097 -8.208 404 1HG GLU 52 1HG GLU 52 3.841 3.625 -5.907 405 2HG GLU 52 2HG GLU 52 4.270 5.305 -6.401 406 H LEU 53 H LEU 53 5.024 4.942 -10.790 407 HA LEU 53 HA LEU 53 4.528 2.856 -12.623 408 1HB LEU 53 1HB LEU 53 4.304 5.314 -13.064 409 2HB LEU 53 2HB LEU 53 6.079 5.486 -12.922 410 HG LEU 53 HG LEU 53 6.388 4.102 -14.986 411 1HD1 LEU 53 1HD1 LEU 53 3.307 4.145 -15.164 412 2HD1 LEU 53 2HD1 LEU 53 4.341 2.688 -14.921 413 3HD1 LEU 53 3HD1 LEU 53 4.427 3.611 -16.461 414 1HD2 LEU 53 1HD2 LEU 53 5.540 5.861 -16.566 415 2HD2 LEU 53 2HD2 LEU 53 6.326 6.563 -15.104 416 3HD2 LEU 53 3HD2 LEU 53 4.531 6.547 -15.236 417 H LYS 54 H LYS 54 7.811 4.061 -11.436 418 HA LYS 54 HA LYS 54 9.363 2.370 -13.080 419 1HB LYS 54 1HB LYS 54 10.248 4.313 -11.746 420 2HB LYS 54 2HB LYS 54 10.093 3.322 -10.258 421 1HG LYS 54 1HG LYS 54 11.731 1.670 -11.200 422 2HG LYS 54 2HG LYS 54 11.754 2.581 -12.752 423 1HD LYS 54 1HD LYS 54 12.706 4.583 -11.539 424 2HD LYS 54 2HD LYS 54 12.689 3.647 -10.010 425 1HE LYS 54 1HE LYS 54 14.980 3.672 -10.977 426 2HE LYS 54 2HE LYS 54 14.319 1.987 -10.995 427 1HZ LYS 54 1HZ LYS 54 14.381 3.872 -13.300 428 2HZ LYS 54 2HZ LYS 54 13.769 2.289 -13.318 429 3HZ LYS 54 3HZ LYS 54 15.421 2.557 -13.040 430 H VAL 55 H VAL 55 8.068 1.747 -9.697 431 HA VAL 55 HA VAL 55 8.969 -0.936 -9.504 432 HB VAL 55 HB VAL 55 6.410 0.240 -8.324 433 1HG1 VAL 55 1HG1 VAL 55 6.754 -1.559 -6.579 434 2HG1 VAL 55 2HG1 VAL 55 8.116 -2.233 -7.550 435 3HG1 VAL 55 3HG1 VAL 55 6.435 -2.263 -8.197 436 1HG2 VAL 55 1HG2 VAL 55 8.413 1.607 -7.702 437 2HG2 VAL 55 2HG2 VAL 55 9.317 0.115 -7.257 438 3HG2 VAL 55 3HG2 VAL 55 7.876 0.627 -6.303 439 H ALA 56 H ALA 56 5.958 0.370 -11.089 440 HA ALA 56 HA ALA 56 4.889 -2.106 -11.912 441 1HB ALA 56 1HB ALA 56 3.592 -0.887 -13.602 442 2HB ALA 56 2HB ALA 56 3.621 0.057 -12.071 443 3HB ALA 56 3HB ALA 56 4.669 0.546 -13.446 444 H MET 57 H MET 57 7.335 -0.024 -13.634 445 HA MET 57 HA MET 57 7.657 -1.878 -15.808 446 1HB MET 57 1HB MET 57 9.565 0.323 -14.892 447 2HB MET 57 2HB MET 57 9.650 -0.629 -16.421 448 1HG MET 57 1HG MET 57 7.434 1.340 -15.601 449 2HG MET 57 2HG MET 57 8.681 1.583 -16.844 450 1HE MET 57 1HE MET 57 7.067 2.238 -18.777 451 2HE MET 57 2HE MET 57 5.439 1.507 -18.965 452 3HE MET 57 3HE MET 57 5.889 2.307 -17.423 453 H ARG 58 H ARG 58 9.157 -1.909 -12.510 454 HA ARG 58 HA ARG 58 11.252 -3.765 -13.142 455 1HB ARG 58 1HB ARG 58 9.599 -3.578 -10.549 456 2HB ARG 58 2HB ARG 58 11.108 -4.531 -10.749 457 1HG ARG 58 1HG ARG 58 12.409 -2.450 -11.106 458 2HG ARG 58 2HG ARG 58 10.899 -1.479 -10.984 459 1HD ARG 58 1HD ARG 58 10.529 -2.428 -8.643 460 2HD ARG 58 2HD ARG 58 12.172 -3.201 -8.744 461 HE ARG 58 HE ARG 58 12.582 -0.502 -9.406 462 1HH1 ARG 58 1HH1 ARG 58 11.261 -2.301 -6.600 463 2HH1 ARG 58 2HH1 ARG 58 11.682 -1.113 -5.438 464 1HH2 ARG 58 1HH2 ARG 58 13.168 1.138 -7.791 465 2HH2 ARG 58 2HH2 ARG 58 12.799 0.890 -6.135 466 H ALA 59 H ALA 59 7.777 -4.409 -11.941 467 HA ALA 59 HA ALA 59 7.905 -7.221 -12.412 468 1HB ALA 59 1HB ALA 59 6.194 -6.201 -10.920 469 2HB ALA 59 2HB ALA 59 5.454 -5.364 -12.333 470 3HB ALA 59 3HB ALA 59 5.415 -7.167 -12.223 471 H LEU 60 H LEU 60 6.300 -4.641 -14.562 472 HA LEU 60 HA LEU 60 5.640 -6.614 -16.540 473 1HB LEU 60 1HB LEU 60 4.339 -4.516 -15.948 474 2HB LEU 60 2HB LEU 60 5.620 -3.549 -16.736 475 HG LEU 60 HG LEU 60 5.064 -4.612 -18.936 476 1HD1 LEU 60 1HD1 LEU 60 2.956 -5.980 -19.167 477 2HD1 LEU 60 2HD1 LEU 60 4.225 -6.836 -18.230 478 3HD1 LEU 60 3HD1 LEU 60 2.835 -6.071 -17.373 479 1HD2 LEU 60 1HD2 LEU 60 2.608 -3.432 -17.490 480 2HD2 LEU 60 2HD2 LEU 60 2.872 -3.500 -19.273 481 3HD2 LEU 60 3HD2 LEU 60 3.954 -2.492 -18.240 482 H GLY 61 H GLY 61 8.545 -4.526 -16.248 483 1HA GLY 61 1HA GLY 61 9.425 -4.562 -18.912 484 2HA GLY 61 2HA GLY 61 10.421 -4.471 -17.419 485 H PHE 62 H PHE 62 10.476 -6.854 -16.260 486 HA PHE 62 HA PHE 62 11.139 -8.959 -16.273 487 1HB PHE 62 1HB PHE 62 10.318 -9.339 -19.208 488 2HB PHE 62 2HB PHE 62 10.705 -10.634 -18.025 489 HD1 PHE 62 HD1 PHE 62 8.084 -8.680 -19.460 490 HD2 PHE 62 HD2 PHE 62 9.236 -10.747 -15.869 491 HE1 PHE 62 HE1 PHE 62 5.705 -8.881 -18.810 492 HE2 PHE 62 HE2 PHE 62 6.856 -10.948 -15.229 493 HZ PHE 62 HZ PHE 62 5.086 -10.018 -16.703 494 H GLU 63 H GLU 63 13.137 -10.246 -16.682 495 HA GLU 63 HA GLU 63 14.726 -9.492 -19.026 496 1HB GLU 63 1HB GLU 63 15.960 -9.386 -16.237 497 2HB GLU 63 2HB GLU 63 16.889 -9.523 -17.776 498 1HG GLU 63 1HG GLU 63 15.814 -7.354 -18.556 499 2HG GLU 63 2HG GLU 63 15.017 -7.214 -16.946 500 HA PRO 64 HA PRO 64 15.107 -11.845 -21.428 501 1HB PRO 64 1HB PRO 64 12.413 -12.829 -21.621 502 2HB PRO 64 2HB PRO 64 13.942 -13.795 -21.624 503 1HG PRO 64 1HG PRO 64 12.071 -13.883 -19.536 504 2HG PRO 64 2HG PRO 64 13.850 -14.179 -19.302 505 1HD PRO 64 1HD PRO 64 12.414 -11.461 -19.279 506 2HD PRO 64 2HD PRO 64 12.993 -12.314 -17.864 507 H LYS 65 H LYS 65 15.215 -9.514 -22.006 508 HA LYS 65 HA LYS 65 12.955 -8.739 -23.485 509 1HB LYS 65 1HB LYS 65 12.496 -7.855 -20.963 510 2HB LYS 65 2HB LYS 65 13.499 -6.487 -21.502 511 1HG LYS 65 1HG LYS 65 11.244 -5.884 -21.849 512 2HG LYS 65 2HG LYS 65 11.791 -6.308 -23.508 513 1HD LYS 65 1HD LYS 65 10.646 -8.468 -23.414 514 2HD LYS 65 2HD LYS 65 10.418 -8.345 -21.642 515 1HE LYS 65 1HE LYS 65 8.953 -6.614 -23.748 516 2HE LYS 65 2HE LYS 65 8.273 -7.997 -22.798 517 1HZ LYS 65 1HZ LYS 65 9.139 -6.518 -20.815 518 2HZ LYS 65 2HZ LYS 65 8.951 -5.273 -21.977 519 3HZ LYS 65 3HZ LYS 65 7.620 -6.246 -21.544 520 H LYS 66 H LYS 66 15.894 -7.219 -21.908 521 HA LYS 66 HA LYS 66 17.778 -6.519 -22.798 522 1HB LYS 66 1HB LYS 66 17.579 -7.851 -24.842 523 2HB LYS 66 2HB LYS 66 16.671 -6.528 -25.640 524 1HG LYS 66 1HG LYS 66 18.627 -5.056 -25.566 525 2HG LYS 66 2HG LYS 66 19.533 -6.216 -24.531 526 1HD LYS 66 1HD LYS 66 19.571 -7.877 -26.332 527 2HD LYS 66 2HD LYS 66 18.559 -6.848 -27.394 528 1HE LYS 66 1HE LYS 66 21.376 -6.013 -26.371 529 2HE LYS 66 2HE LYS 66 21.066 -6.884 -27.924 530 1HZ LYS 66 1HZ LYS 66 19.505 -4.960 -28.425 531 2HZ LYS 66 2HZ LYS 66 21.175 -4.701 -28.503 532 3HZ LYS 66 3HZ LYS 66 20.308 -4.096 -27.199 533 H GLU 67 H GLU 67 16.028 -4.463 -25.272 534 HA GLU 67 HA GLU 67 16.522 -2.132 -23.454 535 1HB GLU 67 1HB GLU 67 17.099 -2.405 -26.456 536 2HB GLU 67 2HB GLU 67 17.120 -0.837 -25.549 537 1HG GLU 67 1HG GLU 67 19.082 -1.383 -24.326 538 2HG GLU 67 2HG GLU 67 19.068 -3.101 -24.882 539 H GLU 68 H GLU 68 14.242 -1.751 -23.029 540 HA GLU 68 HA GLU 68 12.875 -0.365 -25.205 541 1HB GLU 68 1HB GLU 68 10.648 -1.427 -24.695 542 2HB GLU 68 2HB GLU 68 11.805 -2.444 -25.604 543 1HG GLU 68 1HG GLU 68 12.222 -3.911 -23.799 544 2HG GLU 68 2HG GLU 68 11.629 -2.754 -22.555 545 H ILE 69 H ILE 69 12.614 -1.141 -21.589 546 HA ILE 69 HA ILE 69 10.471 0.640 -21.178 547 HB ILE 69 HB ILE 69 12.706 -0.383 -19.343 548 1HG1 ILE 69 1HG1 ILE 69 11.529 -2.266 -20.333 549 2HG1 ILE 69 2HG1 ILE 69 11.059 -2.099 -18.620 550 1HG2 ILE 69 1HG2 ILE 69 11.627 1.554 -18.210 551 2HG2 ILE 69 2HG2 ILE 69 10.003 0.829 -18.502 552 3HG2 ILE 69 3HG2 ILE 69 11.220 0.014 -17.432 553 1HD1 ILE 69 1HD1 ILE 69 8.887 -0.992 -19.345 554 2HD1 ILE 69 2HD1 ILE 69 9.080 -2.663 -19.979 555 3HD1 ILE 69 3HD1 ILE 69 9.354 -1.267 -21.065 556 H LYS 70 H LYS 70 14.059 1.420 -20.861 557 HA LYS 70 HA LYS 70 13.699 4.027 -19.838 558 1HB LYS 70 1HB LYS 70 15.948 2.851 -19.982 559 2HB LYS 70 2HB LYS 70 15.955 3.217 -21.742 560 1HG LYS 70 1HG LYS 70 15.692 5.700 -21.116 561 2HG LYS 70 2HG LYS 70 15.874 5.227 -19.394 562 1HD LYS 70 1HD LYS 70 18.175 4.349 -19.919 563 2HD LYS 70 2HD LYS 70 17.962 4.824 -21.638 564 1HE LYS 70 1HE LYS 70 17.990 6.735 -19.194 565 2HE LYS 70 2HE LYS 70 19.303 6.540 -20.422 566 1HZ LYS 70 1HZ LYS 70 16.547 7.558 -20.934 567 2HZ LYS 70 2HZ LYS 70 17.967 8.474 -20.839 568 3HZ LYS 70 3HZ LYS 70 17.765 7.359 -22.099 569 H LYS 71 H LYS 71 13.616 2.905 -23.291 570 HA LYS 71 HA LYS 71 13.320 5.439 -24.531 571 1HB LYS 71 1HB LYS 71 12.317 2.685 -25.424 572 2HB LYS 71 2HB LYS 71 12.473 4.129 -26.480 573 1HG LYS 71 1HG LYS 71 14.904 4.144 -26.246 574 2HG LYS 71 2HG LYS 71 14.867 2.937 -24.925 575 1HD LYS 71 1HD LYS 71 14.006 1.205 -26.508 576 2HD LYS 71 2HD LYS 71 14.248 2.364 -27.866 577 1HE LYS 71 1HE LYS 71 16.703 2.490 -27.347 578 2HE LYS 71 2HE LYS 71 16.460 1.470 -25.878 579 1HZ LYS 71 1HZ LYS 71 17.354 0.156 -27.580 580 2HZ LYS 71 2HZ LYS 71 15.741 -0.330 -27.354 581 3HZ LYS 71 3HZ LYS 71 16.159 0.616 -28.708 582 H MET 72 H MET 72 10.663 3.059 -23.553 583 HA MET 72 HA MET 72 8.504 4.665 -24.277 584 1HB MET 72 1HB MET 72 8.808 2.510 -22.137 585 2HB MET 72 2HB MET 72 7.251 3.375 -22.355 586 1HG MET 72 1HG MET 72 7.229 1.243 -23.517 587 2HG MET 72 2HG MET 72 6.973 2.632 -24.605 588 1HE MET 72 1HE MET 72 7.757 2.554 -26.901 589 2HE MET 72 2HE MET 72 8.987 3.671 -26.219 590 3HE MET 72 3HE MET 72 9.488 2.375 -27.343 591 H ILE 73 H ILE 73 9.967 4.600 -20.855 592 HA ILE 73 HA ILE 73 8.295 6.642 -19.834 593 HB ILE 73 HB ILE 73 11.168 5.962 -19.058 594 1HG1 ILE 73 1HG1 ILE 73 9.674 3.974 -18.918 595 2HG1 ILE 73 2HG1 ILE 73 10.236 4.537 -17.322 596 1HG2 ILE 73 1HG2 ILE 73 8.989 7.579 -17.569 597 2HG2 ILE 73 2HG2 ILE 73 10.602 8.164 -18.114 598 3HG2 ILE 73 3HG2 ILE 73 10.493 6.946 -16.803 599 1HD1 ILE 73 1HD1 ILE 73 7.421 5.019 -18.513 600 2HD1 ILE 73 2HD1 ILE 73 7.866 3.875 -17.198 601 3HD1 ILE 73 3HD1 ILE 73 7.998 5.640 -16.919 602 H SER 74 H SER 74 11.563 7.033 -21.444 603 HA SER 74 HA SER 74 11.709 9.839 -21.188 604 1HB SER 74 1HB SER 74 12.959 8.129 -23.414 605 2HB SER 74 2HB SER 74 13.465 9.789 -22.919 606 HG SER 74 HG SER 74 13.680 7.333 -21.559 607 H GLU 75 H GLU 75 10.130 7.930 -23.839 608 HA GLU 75 HA GLU 75 9.691 10.200 -25.548 609 1HB GLU 75 1HB GLU 75 8.488 7.383 -25.477 610 2HB GLU 75 2HB GLU 75 8.099 8.591 -26.755 611 1HG GLU 75 1HG GLU 75 10.417 8.657 -27.538 612 2HG GLU 75 2HG GLU 75 10.975 7.623 -26.175 613 H ILE 76 H ILE 76 7.597 8.564 -23.015 614 HA ILE 76 HA ILE 76 5.265 10.106 -23.816 615 HB ILE 76 HB ILE 76 5.768 8.262 -21.447 616 1HG1 ILE 76 1HG1 ILE 76 4.228 7.856 -24.095 617 2HG1 ILE 76 2HG1 ILE 76 5.882 7.243 -23.787 618 1HG2 ILE 76 1HG2 ILE 76 3.942 9.894 -20.888 619 2HG2 ILE 76 2HG2 ILE 76 3.133 9.542 -22.461 620 3HG2 ILE 76 3HG2 ILE 76 3.253 8.274 -21.190 621 1HD1 ILE 76 1HD1 ILE 76 5.024 5.846 -21.883 622 2HD1 ILE 76 2HD1 ILE 76 4.287 5.423 -23.473 623 3HD1 ILE 76 3HD1 ILE 76 3.343 6.376 -22.278 624 H ASP 77 H ASP 77 7.384 10.169 -20.791 625 HA ASP 77 HA ASP 77 6.428 12.918 -20.238 626 1HB ASP 77 1HB ASP 77 6.634 11.028 -18.399 627 2HB ASP 77 2HB ASP 77 8.402 11.328 -18.482 628 H LYS 78 H LYS 78 7.576 14.332 -21.557 629 HA LYS 78 HA LYS 78 10.179 13.558 -22.604 630 1HB LYS 78 1HB LYS 78 8.384 15.918 -23.348 631 2HB LYS 78 2HB LYS 78 9.881 15.420 -24.208 632 1HG LYS 78 1HG LYS 78 8.866 13.177 -24.676 633 2HG LYS 78 2HG LYS 78 7.332 13.706 -23.905 634 1HD LYS 78 1HD LYS 78 7.098 15.534 -25.580 635 2HD LYS 78 2HD LYS 78 8.663 15.052 -26.336 636 1HE LYS 78 1HE LYS 78 7.701 12.798 -26.918 637 2HE LYS 78 2HE LYS 78 6.128 13.269 -26.158 638 1HZ LYS 78 1HZ LYS 78 7.425 14.596 -28.482 639 2HZ LYS 78 2HZ LYS 78 5.945 15.038 -27.776 640 3HZ LYS 78 3HZ LYS 78 6.110 13.525 -28.528 641 H GLU 79 H GLU 79 9.014 16.613 -20.952 642 HA GLU 79 HA GLU 79 11.747 17.686 -21.161 643 1HB GLU 79 1HB GLU 79 9.226 19.129 -20.166 644 2HB GLU 79 2HB GLU 79 10.778 19.862 -20.700 645 1HG GLU 79 1HG GLU 79 8.707 18.384 -22.471 646 2HG GLU 79 2HG GLU 79 9.003 20.156 -22.396 647 H GLY 80 H GLY 80 9.209 17.224 -18.501 648 1HA GLY 80 1HA GLY 80 10.966 16.536 -16.531 649 2HA GLY 80 2HA GLY 80 10.895 18.334 -16.508 650 H THR 81 H THR 81 8.502 15.549 -16.646 651 HA THR 81 HA THR 81 7.278 16.670 -14.211 652 HB THR 81 HB THR 81 5.040 15.660 -15.060 653 HG1 THR 81 HG1 THR 81 5.969 14.758 -17.008 654 1HG2 THR 81 1HG2 THR 81 4.487 17.856 -16.082 655 2HG2 THR 81 2HG2 THR 81 6.240 18.241 -16.258 656 3HG2 THR 81 3HG2 THR 81 5.514 18.072 -14.618 657 H GLY 82 H GLY 82 5.575 13.965 -14.660 658 1HA GLY 82 1HA GLY 82 7.174 11.827 -14.802 659 2HA GLY 82 2HA GLY 82 7.243 12.274 -13.056 660 H LYS 83 H LYS 83 5.154 11.361 -15.725 661 HA LYS 83 HA LYS 83 3.206 10.065 -13.975 662 1HB LYS 83 1HB LYS 83 1.297 11.407 -14.942 663 2HB LYS 83 2HB LYS 83 2.413 12.367 -13.924 664 1HG LYS 83 1HG LYS 83 3.609 13.172 -16.013 665 2HG LYS 83 2HG LYS 83 2.398 12.302 -17.010 666 1HD LYS 83 1HD LYS 83 0.589 13.727 -16.051 667 2HD LYS 83 2HD LYS 83 1.796 14.548 -14.991 668 1HE LYS 83 1HE LYS 83 3.040 15.357 -17.048 669 2HE LYS 83 2HE LYS 83 1.786 14.582 -18.097 670 1HZ LYS 83 1HZ LYS 83 1.321 16.740 -16.100 671 2HZ LYS 83 2HZ LYS 83 1.403 16.916 -17.787 672 3HZ LYS 83 3HZ LYS 83 0.141 16.020 -17.088 673 H MET 84 H MET 84 1.656 8.698 -15.074 674 HA MET 84 HA MET 84 1.657 8.690 -17.985 675 1HB MET 84 1HB MET 84 3.465 7.100 -17.164 676 2HB MET 84 2HB MET 84 2.193 6.094 -16.411 677 1HG MET 84 1HG MET 84 1.385 5.369 -18.554 678 2HG MET 84 2HG MET 84 2.113 6.772 -19.405 679 1HE MET 84 1HE MET 84 4.080 3.541 -20.806 680 2HE MET 84 2HE MET 84 2.619 3.166 -19.845 681 3HE MET 84 3HE MET 84 2.598 4.545 -21.001 682 H ASN 85 H ASN 85 -0.454 8.307 -18.731 683 HA ASN 85 HA ASN 85 -2.494 7.579 -16.721 684 1HB ASN 85 1HB ASN 85 -4.226 8.503 -18.219 685 2HB ASN 85 2HB ASN 85 -3.016 9.721 -17.708 686 1HD2 ASN 85 1HD2 ASN 85 -1.638 10.676 -19.284 687 2HD2 ASN 85 2HD2 ASN 85 -1.544 10.173 -20.940 688 H PHE 86 H PHE 86 -4.502 6.233 -17.704 689 HA PHE 86 HA PHE 86 -3.381 3.788 -18.668 690 1HB PHE 86 1HB PHE 86 -5.402 4.030 -17.111 691 2HB PHE 86 2HB PHE 86 -6.375 4.513 -18.546 692 HD1 PHE 86 HD1 PHE 86 -3.967 1.806 -17.443 693 HD2 PHE 86 HD2 PHE 86 -7.546 2.755 -19.617 694 HE1 PHE 86 HE1 PHE 86 -4.352 -0.595 -17.839 695 HE2 PHE 86 HE2 PHE 86 -7.918 0.348 -20.047 696 HZ PHE 86 HZ PHE 86 -6.322 -1.336 -19.163 697 H GLY 87 H GLY 87 -4.686 6.533 -20.582 698 1HA GLY 87 1HA GLY 87 -5.206 4.967 -22.970 699 2HA GLY 87 2HA GLY 87 -5.006 6.756 -22.805 700 H ASP 88 H ASP 88 -2.438 7.053 -21.770 701 HA ASP 88 HA ASP 88 -0.598 6.376 -23.804 702 1HB ASP 88 1HB ASP 88 -0.236 7.349 -20.923 703 2HB ASP 88 2HB ASP 88 1.195 6.843 -21.894 704 H PHE 89 H PHE 89 -1.026 4.715 -20.547 705 HA PHE 89 HA PHE 89 0.917 2.733 -20.979 706 1HB PHE 89 1HB PHE 89 -0.420 3.524 -18.822 707 2HB PHE 89 2HB PHE 89 -1.609 2.266 -19.276 708 HD1 PHE 89 HD1 PHE 89 1.502 3.017 -17.621 709 HD2 PHE 89 HD2 PHE 89 -0.695 -0.173 -19.487 710 HE1 PHE 89 HE1 PHE 89 2.837 1.363 -16.365 711 HE2 PHE 89 HE2 PHE 89 0.629 -1.824 -18.201 712 HZ PHE 89 HZ PHE 89 2.395 -1.058 -16.641 713 H LEU 90 H LEU 90 -2.704 2.428 -21.630 714 HA LEU 90 HA LEU 90 -2.465 -0.258 -22.527 715 1HB LEU 90 1HB LEU 90 -4.599 0.841 -21.712 716 2HB LEU 90 2HB LEU 90 -4.641 1.778 -23.235 717 HG LEU 90 HG LEU 90 -4.786 -0.418 -24.517 718 1HD1 LEU 90 1HD1 LEU 90 -5.448 -2.495 -23.283 719 2HD1 LEU 90 2HD1 LEU 90 -3.779 -1.985 -22.860 720 3HD1 LEU 90 3HD1 LEU 90 -5.134 -1.668 -21.711 721 1HD2 LEU 90 1HD2 LEU 90 -7.005 0.071 -22.435 722 2HD2 LEU 90 2HD2 LEU 90 -6.802 0.937 -24.003 723 3HD2 LEU 90 3HD2 LEU 90 -7.178 -0.826 -23.991 724 H THR 91 H THR 91 -2.527 2.883 -24.556 725 HA THR 91 HA THR 91 -2.449 1.461 -27.005 726 HB THR 91 HB THR 91 -1.734 3.522 -28.124 727 HG1 THR 91 HG1 THR 91 -1.472 5.358 -26.920 728 1HG2 THR 91 1HG2 THR 91 -3.821 4.787 -27.572 729 2HG2 THR 91 2HG2 THR 91 -4.017 3.856 -26.044 730 3HG2 THR 91 3HG2 THR 91 -4.146 3.018 -27.631 731 H VAL 92 H VAL 92 0.382 2.874 -25.110 732 HA VAL 92 HA VAL 92 2.274 1.927 -26.970 733 HB VAL 92 HB VAL 92 2.626 3.714 -25.244 734 1HG1 VAL 92 1HG1 VAL 92 2.016 2.299 -23.205 735 2HG1 VAL 92 2HG1 VAL 92 3.532 1.356 -23.455 736 3HG1 VAL 92 3HG1 VAL 92 3.617 3.116 -23.098 737 1HG2 VAL 92 1HG2 VAL 92 4.824 1.588 -25.697 738 2HG2 VAL 92 2HG2 VAL 92 4.318 2.857 -26.877 739 3HG2 VAL 92 3HG2 VAL 92 5.060 3.337 -25.311 740 H MET 93 H MET 93 1.118 0.196 -23.940 741 HA MET 93 HA MET 93 2.815 -2.053 -24.390 742 1HB MET 93 1HB MET 93 0.263 -1.872 -22.722 743 2HB MET 93 2HB MET 93 1.396 -3.269 -22.723 744 1HG MET 93 1HG MET 93 2.095 -0.387 -21.897 745 2HG MET 93 2HG MET 93 1.734 -1.736 -20.785 746 1HE MET 93 1HE MET 93 4.288 0.358 -21.110 747 2HE MET 93 2HE MET 93 5.553 -0.727 -20.441 748 3HE MET 93 3HE MET 93 3.917 -0.687 -19.698 749 H THR 94 H THR 94 -0.744 -1.616 -25.404 750 HA THR 94 HA THR 94 -0.909 -4.180 -26.568 751 HB THR 94 HB THR 94 -2.760 -3.426 -27.977 752 HG1 THR 94 HG1 THR 94 -2.209 -1.328 -28.371 753 1HG2 THR 94 1HG2 THR 94 -3.114 -4.218 -25.637 754 2HG2 THR 94 2HG2 THR 94 -4.282 -2.913 -26.055 755 3HG2 THR 94 3HG2 THR 94 -2.866 -2.555 -25.003 756 H GLN 95 H GLN 95 0.077 -1.034 -28.254 757 HA GLN 95 HA GLN 95 0.632 -2.236 -30.739 758 1HB GLN 95 1HB GLN 95 0.395 0.221 -30.266 759 2HB GLN 95 2HB GLN 95 1.992 0.195 -29.449 760 1HG GLN 95 1HG GLN 95 3.084 -0.456 -31.635 761 2HG GLN 95 2HG GLN 95 1.460 -0.473 -32.429 762 1HE2 GLN 95 1HE2 GLN 95 3.123 1.180 -33.656 763 2HE2 GLN 95 2HE2 GLN 95 2.883 2.845 -33.234 764 H LYS 96 H LYS 96 2.979 -1.879 -27.899 765 HA LYS 96 HA LYS 96 5.140 -3.088 -29.372 766 1HB LYS 96 1HB LYS 96 4.727 -2.705 -26.367 767 2HB LYS 96 2HB LYS 96 6.164 -3.506 -27.077 768 1HG LYS 96 1HG LYS 96 6.342 -1.328 -28.599 769 2HG LYS 96 2HG LYS 96 5.259 -0.610 -27.368 770 1HD LYS 96 1HD LYS 96 7.310 -0.000 -26.599 771 2HD LYS 96 2HD LYS 96 7.072 -1.476 -25.612 772 1HE LYS 96 1HE LYS 96 8.695 -1.287 -28.264 773 2HE LYS 96 2HE LYS 96 9.427 -1.180 -26.618 774 1HZ LYS 96 1HZ LYS 96 7.862 -3.537 -27.501 775 2HZ LYS 96 2HZ LYS 96 9.526 -3.373 -27.771 776 3HZ LYS 96 3HZ LYS 96 8.942 -3.404 -26.183 777 H MET 97 H MET 97 2.625 -4.660 -27.175 778 HA MET 97 HA MET 97 4.032 -7.186 -27.215 779 1HB MET 97 1HB MET 97 1.198 -6.447 -26.333 780 2HB MET 97 2HB MET 97 1.876 -8.111 -26.215 781 1HG MET 97 1HG MET 97 3.693 -7.314 -24.750 782 2HG MET 97 2HG MET 97 3.061 -5.638 -24.825 783 1HE MET 97 1HE MET 97 2.425 -7.054 -21.142 784 2HE MET 97 2HE MET 97 3.241 -5.782 -22.117 785 3HE MET 97 3HE MET 97 3.743 -7.503 -22.271 786 H SER 98 H SER 98 0.743 -6.327 -28.738 787 HA SER 98 HA SER 98 0.989 -8.619 -30.522 788 1HB SER 98 1HB SER 98 -1.208 -7.818 -31.478 789 2HB SER 98 2HB SER 98 -1.244 -8.257 -29.728 790 HG SER 98 HG SER 98 -0.764 -5.647 -30.662 Start of MODEL 3 1 1H MET 1 1H MET 1 -8.614 13.681 -64.389 2 2H MET 1 2H MET 1 -9.894 13.549 -63.286 3 3H MET 1 3H MET 1 -8.733 14.782 -63.097 4 HA MET 1 HA MET 1 -7.042 13.090 -62.737 5 1HB MET 1 1HB MET 1 -8.219 14.138 -60.774 6 2HB MET 1 2HB MET 1 -9.487 12.867 -60.864 7 1HG MET 1 1HG MET 1 -7.780 11.122 -60.320 8 2HG MET 1 2HG MET 1 -6.503 12.379 -60.273 9 1HE MET 1 1HE MET 1 -6.919 11.103 -56.598 10 2HE MET 1 2HE MET 1 -7.190 10.167 -58.107 11 3HE MET 1 3HE MET 1 -5.822 11.329 -58.003 12 H ALA 2 H ALA 2 -6.391 10.907 -63.178 13 HA ALA 2 HA ALA 2 -8.287 8.981 -64.140 14 1HB ALA 2 1HB ALA 2 -6.371 7.394 -64.215 15 2HB ALA 2 2HB ALA 2 -5.355 8.582 -63.317 16 3HB ALA 2 3HB ALA 2 -5.942 8.967 -64.978 17 H SER 3 H SER 3 -9.809 8.199 -62.655 18 HA SER 3 HA SER 3 -9.035 7.849 -59.853 19 1HB SER 3 1HB SER 3 -11.789 7.671 -61.195 20 2HB SER 3 2HB SER 3 -11.464 7.669 -59.419 21 HG SER 3 HG SER 3 -10.865 9.729 -61.287 22 H ASN 4 H ASN 4 -7.644 5.879 -60.456 23 HA ASN 4 HA ASN 4 -9.150 3.439 -61.125 24 1HB ASN 4 1HB ASN 4 -6.120 3.911 -60.867 25 2HB ASN 4 2HB ASN 4 -6.884 2.360 -61.375 26 1HD2 ASN 4 1HD2 ASN 4 -8.428 2.530 -63.343 27 2HD2 ASN 4 2HD2 ASN 4 -7.971 3.616 -64.613 28 H PHE 5 H PHE 5 -10.255 2.948 -59.119 29 HA PHE 5 HA PHE 5 -8.808 3.012 -56.628 30 1HB PHE 5 1HB PHE 5 -11.662 2.004 -57.197 31 2HB PHE 5 2HB PHE 5 -10.954 2.295 -55.561 32 HD1 PHE 5 HD1 PHE 5 -12.834 3.775 -58.206 33 HD2 PHE 5 HD2 PHE 5 -9.905 4.697 -55.191 34 HE1 PHE 5 HE1 PHE 5 -13.482 6.157 -58.299 35 HE2 PHE 5 HE2 PHE 5 -10.552 7.080 -55.297 36 HZ PHE 5 HZ PHE 5 -12.343 7.816 -56.847 37 H LYS 6 H LYS 6 -7.136 1.374 -56.809 38 HA LYS 6 HA LYS 6 -7.863 -1.391 -57.280 39 1HB LYS 6 1HB LYS 6 -5.706 -0.367 -58.061 40 2HB LYS 6 2HB LYS 6 -5.178 -0.258 -56.350 41 1HG LYS 6 1HG LYS 6 -5.308 -2.777 -56.180 42 2HG LYS 6 2HG LYS 6 -5.950 -2.848 -57.858 43 1HD LYS 6 1HD LYS 6 -3.619 -3.458 -57.906 44 2HD LYS 6 2HD LYS 6 -3.812 -1.865 -58.718 45 1HE LYS 6 1HE LYS 6 -2.942 -0.706 -56.640 46 2HE LYS 6 2HE LYS 6 -2.789 -2.313 -55.819 47 1HZ LYS 6 1HZ LYS 6 -1.204 -2.957 -57.511 48 2HZ LYS 6 2HZ LYS 6 -0.713 -1.541 -56.714 49 3HZ LYS 6 3HZ LYS 6 -1.354 -1.451 -58.282 50 H LYS 7 H LYS 7 -9.395 -1.748 -55.507 51 HA LYS 7 HA LYS 7 -10.053 -2.625 -53.601 52 1HB LYS 7 1HB LYS 7 -8.017 -4.055 -53.492 53 2HB LYS 7 2HB LYS 7 -7.210 -2.780 -52.517 54 1HG LYS 7 1HG LYS 7 -8.985 -3.021 -50.753 55 2HG LYS 7 2HG LYS 7 -9.779 -4.304 -51.731 56 1HD LYS 7 1HD LYS 7 -7.748 -5.730 -51.506 57 2HD LYS 7 2HD LYS 7 -6.909 -4.407 -50.610 58 1HE LYS 7 1HE LYS 7 -8.647 -4.537 -48.781 59 2HE LYS 7 2HE LYS 7 -9.472 -5.882 -49.666 60 1HZ LYS 7 1HZ LYS 7 -8.040 -6.681 -47.931 61 2HZ LYS 7 2HZ LYS 7 -6.688 -5.920 -48.616 62 3HZ LYS 7 3HZ LYS 7 -7.461 -7.186 -49.444 63 H ALA 8 H ALA 8 -11.222 -1.550 -52.021 64 HA ALA 8 HA ALA 8 -10.403 1.045 -51.069 65 1HB ALA 8 1HB ALA 8 -12.706 -0.742 -50.103 66 2HB ALA 8 2HB ALA 8 -12.456 0.990 -49.667 67 3HB ALA 8 3HB ALA 8 -12.824 0.535 -51.368 68 H ASN 9 H ASN 9 -9.495 1.625 -49.050 69 HA ASN 9 HA ASN 9 -7.995 -0.400 -47.740 70 1HB ASN 9 1HB ASN 9 -7.189 1.964 -48.110 71 2HB ASN 9 2HB ASN 9 -8.377 2.536 -46.894 72 1HD2 ASN 9 1HD2 ASN 9 -5.707 0.045 -47.243 73 2HD2 ASN 9 2HD2 ASN 9 -5.067 0.277 -45.649 74 H MET 10 H MET 10 -10.437 1.867 -46.078 75 HA MET 10 HA MET 10 -10.459 0.045 -43.796 76 1HB MET 10 1HB MET 10 -11.986 2.663 -44.253 77 2HB MET 10 2HB MET 10 -11.946 1.737 -42.713 78 1HG MET 10 1HG MET 10 -9.519 3.035 -44.101 79 2HG MET 10 2HG MET 10 -10.427 3.701 -42.712 80 1HE MET 10 1HE MET 10 -8.271 4.067 -41.406 81 2HE MET 10 2HE MET 10 -6.992 2.832 -41.141 82 3HE MET 10 3HE MET 10 -7.337 3.423 -42.802 83 H ALA 11 H ALA 11 -11.465 -1.772 -45.187 84 HA ALA 11 HA ALA 11 -14.305 -1.433 -45.838 85 1HB ALA 11 1HB ALA 11 -12.823 -2.493 -47.523 86 2HB ALA 11 2HB ALA 11 -14.114 -3.628 -46.981 87 3HB ALA 11 3HB ALA 11 -12.430 -3.805 -46.354 88 H SER 12 H SER 12 -15.076 -1.355 -43.487 89 HA SER 12 HA SER 12 -15.438 -4.106 -42.379 90 1HB SER 12 1HB SER 12 -14.337 -2.645 -40.730 91 2HB SER 12 2HB SER 12 -15.541 -1.346 -41.034 92 HG SER 12 HG SER 12 -16.067 -3.891 -39.848 93 H SER 13 H SER 13 -17.398 -4.925 -43.203 94 HA SER 13 HA SER 13 -19.712 -3.172 -43.516 95 1HB SER 13 1HB SER 13 -19.267 -5.138 -45.082 96 2HB SER 13 2HB SER 13 -19.657 -6.238 -43.716 97 HG SER 13 HG SER 13 -21.291 -4.382 -45.096 98 H SER 14 H SER 14 -19.948 -2.370 -41.315 99 HA SER 14 HA SER 14 -20.175 -4.207 -39.096 100 1HB SER 14 1HB SER 14 -20.553 -1.166 -39.267 101 2HB SER 14 2HB SER 14 -20.687 -2.116 -37.738 102 HG SER 14 HG SER 14 -18.405 -1.978 -39.434 103 H GLN 15 H GLN 15 -22.021 -5.461 -40.002 104 HA GLN 15 HA GLN 15 -24.642 -4.276 -40.116 105 1HB GLN 15 1HB GLN 15 -23.800 -7.223 -40.175 106 2HB GLN 15 2HB GLN 15 -25.435 -6.588 -40.594 107 1HG GLN 15 1HG GLN 15 -24.470 -5.250 -42.464 108 2HG GLN 15 2HG GLN 15 -22.807 -5.794 -42.039 109 1HE2 GLN 15 1HE2 GLN 15 -22.845 -6.489 -44.355 110 2HE2 GLN 15 2HE2 GLN 15 -23.516 -8.032 -44.772 111 H ARG 16 H ARG 16 -23.326 -6.856 -37.856 112 HA ARG 16 HA ARG 16 -24.489 -5.500 -35.619 113 1HB ARG 16 1HB ARG 16 -26.436 -6.972 -36.372 114 2HB ARG 16 2HB ARG 16 -25.399 -8.409 -36.144 115 1HG ARG 16 1HG ARG 16 -26.892 -8.163 -34.250 116 2HG ARG 16 2HG ARG 16 -25.216 -7.837 -33.678 117 1HD ARG 16 1HD ARG 16 -25.671 -5.361 -33.719 118 2HD ARG 16 2HD ARG 16 -27.333 -5.676 -34.387 119 HE ARG 16 HE ARG 16 -27.030 -7.194 -31.981 120 1HH1 ARG 16 1HH1 ARG 16 -27.208 -3.767 -33.028 121 2HH1 ARG 16 2HH1 ARG 16 -27.908 -3.199 -31.568 122 1HH2 ARG 16 1HH2 ARG 16 -27.996 -6.400 -29.969 123 2HH2 ARG 16 2HH2 ARG 16 -28.365 -4.736 -29.785 124 H LYS 17 H LYS 17 -23.355 -8.957 -36.242 125 HA LYS 17 HA LYS 17 -20.741 -8.279 -35.068 126 1HB LYS 17 1HB LYS 17 -22.390 -10.765 -34.282 127 2HB LYS 17 2HB LYS 17 -20.646 -10.519 -33.908 128 1HG LYS 17 1HG LYS 17 -21.226 -8.532 -32.497 129 2HG LYS 17 2HG LYS 17 -22.959 -8.735 -32.920 130 1HD LYS 17 1HD LYS 17 -22.627 -9.623 -30.715 131 2HD LYS 17 2HD LYS 17 -22.978 -10.989 -31.835 132 1HE LYS 17 1HE LYS 17 -20.517 -11.578 -31.878 133 2HE LYS 17 2HE LYS 17 -20.168 -10.177 -30.786 134 1HZ LYS 17 1HZ LYS 17 -21.557 -11.209 -29.116 135 2HZ LYS 17 2HZ LYS 17 -21.888 -12.519 -30.143 136 3HZ LYS 17 3HZ LYS 17 -20.305 -12.245 -29.601 137 H ARG 18 H ARG 18 -19.979 -8.338 -37.373 138 HA ARG 18 HA ARG 18 -19.962 -11.017 -38.594 139 1HB ARG 18 1HB ARG 18 -22.061 -9.814 -39.362 140 2HB ARG 18 2HB ARG 18 -21.022 -8.575 -40.134 141 1HG ARG 18 1HG ARG 18 -20.020 -10.371 -41.598 142 2HG ARG 18 2HG ARG 18 -21.020 -11.602 -40.739 143 1HD ARG 18 1HD ARG 18 -23.118 -10.414 -41.532 144 2HD ARG 18 2HD ARG 18 -22.071 -9.257 -42.471 145 HE ARG 18 HE ARG 18 -21.241 -11.823 -43.258 146 1HH1 ARG 18 1HH1 ARG 18 -24.331 -9.956 -43.336 147 2HH1 ARG 18 2HH1 ARG 18 -24.976 -10.830 -44.664 148 1HH2 ARG 18 1HH2 ARG 18 -22.136 -12.960 -45.122 149 2HH2 ARG 18 2HH2 ARG 18 -23.686 -12.549 -45.728 150 H MET 19 H MET 19 -18.981 -7.544 -39.586 151 HA MET 19 HA MET 19 -16.407 -8.754 -40.463 152 1HB MET 19 1HB MET 19 -17.975 -8.058 -42.325 153 2HB MET 19 2HB MET 19 -17.762 -6.367 -41.775 154 1HG MET 19 1HG MET 19 -15.285 -6.564 -42.215 155 2HG MET 19 2HG MET 19 -15.504 -8.294 -42.621 156 1HE MET 19 1HE MET 19 -14.544 -7.096 -46.090 157 2HE MET 19 2HE MET 19 -13.854 -6.769 -44.465 158 3HE MET 19 3HE MET 19 -14.463 -8.412 -44.869 159 H SER 20 H SER 20 -15.048 -8.238 -38.703 160 HA SER 20 HA SER 20 -14.290 -5.473 -38.356 161 1HB SER 20 1HB SER 20 -15.541 -7.050 -36.025 162 2HB SER 20 2HB SER 20 -14.506 -5.588 -35.794 163 HG SER 20 HG SER 20 -16.753 -5.562 -37.498 164 HA PRO 21 HA PRO 21 -10.536 -8.054 -37.907 165 1HB PRO 21 1HB PRO 21 -9.434 -5.444 -36.693 166 2HB PRO 21 2HB PRO 21 -8.594 -6.561 -37.848 167 1HG PRO 21 1HG PRO 21 -9.757 -4.285 -38.792 168 2HG PRO 21 2HG PRO 21 -10.036 -5.844 -39.675 169 1HD PRO 21 1HD PRO 21 -11.922 -4.426 -37.706 170 2HD PRO 21 2HD PRO 21 -12.300 -5.247 -39.294 171 H LYS 22 H LYS 22 -9.492 -9.380 -36.363 172 HA LYS 22 HA LYS 22 -10.538 -9.089 -33.623 173 1HB LYS 22 1HB LYS 22 -11.033 -11.087 -35.177 174 2HB LYS 22 2HB LYS 22 -9.368 -11.633 -34.860 175 1HG LYS 22 1HG LYS 22 -11.616 -11.132 -32.788 176 2HG LYS 22 2HG LYS 22 -11.187 -12.729 -33.483 177 1HD LYS 22 1HD LYS 22 -9.399 -11.022 -31.653 178 2HD LYS 22 2HD LYS 22 -10.373 -12.446 -31.171 179 1HE LYS 22 1HE LYS 22 -8.992 -13.946 -32.635 180 2HE LYS 22 2HE LYS 22 -8.012 -12.525 -33.178 181 1HZ LYS 22 1HZ LYS 22 -6.858 -13.640 -31.452 182 2HZ LYS 22 2HZ LYS 22 -8.193 -13.607 -30.410 183 3HZ LYS 22 3HZ LYS 22 -7.429 -12.154 -30.849 184 HA PRO 23 HA PRO 23 -5.957 -8.515 -32.861 185 1HB PRO 23 1HB PRO 23 -6.016 -7.258 -30.365 186 2HB PRO 23 2HB PRO 23 -6.456 -6.403 -31.891 187 1HG PRO 23 1HG PRO 23 -8.363 -7.759 -29.903 188 2HG PRO 23 2HG PRO 23 -8.454 -6.070 -30.558 189 1HD PRO 23 1HD PRO 23 -9.898 -8.171 -31.667 190 2HD PRO 23 2HD PRO 23 -9.180 -6.869 -32.725 191 H GLU 24 H GLU 24 -4.269 -9.568 -31.446 192 HA GLU 24 HA GLU 24 -5.406 -11.793 -29.859 193 1HB GLU 24 1HB GLU 24 -3.833 -12.225 -31.901 194 2HB GLU 24 2HB GLU 24 -2.515 -11.710 -30.811 195 1HG GLU 24 1HG GLU 24 -2.753 -14.189 -30.798 196 2HG GLU 24 2HG GLU 24 -3.229 -13.549 -29.180 197 H LEU 25 H LEU 25 -5.826 -10.486 -28.006 198 HA LEU 25 HA LEU 25 -3.432 -9.882 -26.339 199 1HB LEU 25 1HB LEU 25 -6.227 -8.608 -26.132 200 2HB LEU 25 2HB LEU 25 -4.804 -8.228 -25.103 201 HG LEU 25 HG LEU 25 -5.042 -7.720 -28.137 202 1HD1 LEU 25 1HD1 LEU 25 -5.270 -5.313 -27.548 203 2HD1 LEU 25 2HD1 LEU 25 -5.263 -5.730 -25.792 204 3HD1 LEU 25 3HD1 LEU 25 -6.612 -6.295 -26.850 205 1HD2 LEU 25 1HD2 LEU 25 -2.995 -6.312 -27.887 206 2HD2 LEU 25 2HD2 LEU 25 -2.665 -8.027 -27.474 207 3HD2 LEU 25 3HD2 LEU 25 -2.851 -6.811 -26.159 208 H THR 26 H THR 26 -3.286 -11.873 -25.229 209 HA THR 26 HA THR 26 -5.771 -13.229 -24.434 210 HB THR 26 HB THR 26 -4.163 -15.181 -24.081 211 HG1 THR 26 HG1 THR 26 -2.231 -14.225 -23.775 212 1HG2 THR 26 1HG2 THR 26 -3.823 -15.506 -26.514 213 2HG2 THR 26 2HG2 THR 26 -5.441 -14.779 -26.216 214 3HG2 THR 26 3HG2 THR 26 -4.094 -13.760 -26.836 215 H GLU 27 H GLU 27 -4.555 -14.823 -22.247 216 HA GLU 27 HA GLU 27 -5.401 -13.199 -20.151 217 1HB GLU 27 1HB GLU 27 -5.601 -15.684 -20.249 218 2HB GLU 27 2HB GLU 27 -3.843 -15.825 -19.912 219 1HG GLU 27 1HG GLU 27 -4.165 -14.756 -17.675 220 2HG GLU 27 2HG GLU 27 -5.896 -14.422 -18.062 221 H GLU 28 H GLU 28 -1.934 -14.350 -20.675 222 HA GLU 28 HA GLU 28 -0.611 -12.991 -18.693 223 1HB GLU 28 1HB GLU 28 0.360 -14.563 -20.390 224 2HB GLU 28 2HB GLU 28 0.180 -13.300 -21.649 225 1HG GLU 28 1HG GLU 28 1.872 -11.863 -20.374 226 2HG GLU 28 2HG GLU 28 2.047 -13.202 -19.180 227 H GLN 29 H GLN 29 -1.269 -11.517 -22.002 228 HA GLN 29 HA GLN 29 -0.304 -8.948 -21.362 229 1HB GLN 29 1HB GLN 29 -2.393 -9.731 -23.462 230 2HB GLN 29 2HB GLN 29 -1.553 -8.140 -23.362 231 1HG GLN 29 1HG GLN 29 0.663 -9.275 -23.668 232 2HG GLN 29 2HG GLN 29 -0.154 -10.871 -23.805 233 1HE2 GLN 29 1HE2 GLN 29 -0.687 -11.494 -25.904 234 2HE2 GLN 29 2HE2 GLN 29 -1.007 -10.424 -27.228 235 H LYS 30 H LYS 30 -3.847 -9.913 -21.556 236 HA LYS 30 HA LYS 30 -4.980 -7.584 -20.573 237 1HB LYS 30 1HB LYS 30 -6.202 -9.515 -21.584 238 2HB LYS 30 2HB LYS 30 -5.881 -10.481 -20.110 239 1HG LYS 30 1HG LYS 30 -7.259 -8.820 -18.769 240 2HG LYS 30 2HG LYS 30 -7.603 -7.922 -20.289 241 1HD LYS 30 1HD LYS 30 -8.720 -9.950 -21.225 242 2HD LYS 30 2HD LYS 30 -8.276 -10.883 -19.749 243 1HE LYS 30 1HE LYS 30 -9.687 -9.323 -18.340 244 2HE LYS 30 2HE LYS 30 -10.179 -8.435 -19.839 245 1HZ LYS 30 1HZ LYS 30 -11.137 -10.488 -20.662 246 2HZ LYS 30 2HZ LYS 30 -10.673 -11.311 -19.250 247 3HZ LYS 30 3HZ LYS 30 -11.805 -10.050 -19.163 248 H GLN 31 H GLN 31 -4.084 -10.472 -18.448 249 HA GLN 31 HA GLN 31 -4.980 -9.156 -16.098 250 1HB GLN 31 1HB GLN 31 -4.005 -11.805 -16.709 251 2HB GLN 31 2HB GLN 31 -3.081 -11.205 -15.310 252 1HG GLN 31 1HG GLN 31 -6.162 -11.301 -15.561 253 2HG GLN 31 2HG GLN 31 -5.139 -12.441 -14.612 254 1HE2 GLN 31 1HE2 GLN 31 -3.621 -11.310 -12.936 255 2HE2 GLN 31 2HE2 GLN 31 -4.272 -9.989 -12.028 256 H GLU 32 H GLU 32 -1.482 -9.539 -17.319 257 HA GLU 32 HA GLU 32 -0.434 -8.187 -15.070 258 1HB GLU 32 1HB GLU 32 0.851 -8.553 -17.799 259 2HB GLU 32 2HB GLU 32 1.663 -7.896 -16.330 260 1HG GLU 32 1HG GLU 32 1.008 -10.023 -15.072 261 2HG GLU 32 2HG GLU 32 0.414 -10.713 -16.629 262 H ILE 33 H ILE 33 -1.644 -6.640 -18.176 263 HA ILE 33 HA ILE 33 -0.699 -4.032 -17.393 264 HB ILE 33 HB ILE 33 -2.950 -4.935 -19.247 265 1HG1 ILE 33 1HG1 ILE 33 -0.721 -5.761 -19.957 266 2HG1 ILE 33 2HG1 ILE 33 -1.373 -4.535 -21.080 267 1HG2 ILE 33 1HG2 ILE 33 -2.781 -2.660 -20.284 268 2HG2 ILE 33 2HG2 ILE 33 -1.671 -2.137 -18.976 269 3HG2 ILE 33 3HG2 ILE 33 -3.376 -2.574 -18.593 270 1HD1 ILE 33 1HD1 ILE 33 0.182 -2.811 -20.105 271 2HD1 ILE 33 2HD1 ILE 33 0.822 -4.041 -18.949 272 3HD1 ILE 33 3HD1 ILE 33 1.064 -4.258 -20.713 273 H ARG 34 H ARG 34 -4.062 -5.607 -16.896 274 HA ARG 34 HA ARG 34 -5.107 -3.458 -15.391 275 1HB ARG 34 1HB ARG 34 -6.319 -5.586 -16.255 276 2HB ARG 34 2HB ARG 34 -5.726 -6.410 -14.791 277 1HG ARG 34 1HG ARG 34 -7.008 -3.823 -14.076 278 2HG ARG 34 2HG ARG 34 -8.037 -4.733 -15.213 279 1HD ARG 34 1HD ARG 34 -8.869 -5.489 -13.183 280 2HD ARG 34 2HD ARG 34 -7.705 -6.808 -13.569 281 HE ARG 34 HE ARG 34 -7.354 -4.535 -11.566 282 1HH1 ARG 34 1HH1 ARG 34 -6.260 -7.840 -12.675 283 2HH1 ARG 34 2HH1 ARG 34 -5.288 -8.052 -11.269 284 1HH2 ARG 34 1HH2 ARG 34 -6.163 -4.956 -9.724 285 2HH2 ARG 34 2HH2 ARG 34 -5.150 -6.391 -9.588 286 H GLU 35 H GLU 35 -3.383 -6.476 -14.084 287 HA GLU 35 HA GLU 35 -3.487 -5.714 -11.419 288 1HB GLU 35 1HB GLU 35 -2.738 -7.973 -12.574 289 2HB GLU 35 2HB GLU 35 -1.105 -7.260 -12.545 290 1HG GLU 35 1HG GLU 35 -1.343 -8.675 -10.571 291 2HG GLU 35 2HG GLU 35 -1.412 -6.974 -9.973 292 H ALA 36 H ALA 36 -0.752 -4.790 -13.751 293 HA ALA 36 HA ALA 36 0.798 -3.584 -11.689 294 1HB ALA 36 1HB ALA 36 0.792 -2.994 -14.706 295 2HB ALA 36 2HB ALA 36 2.078 -2.493 -13.539 296 3HB ALA 36 3HB ALA 36 1.783 -4.239 -13.868 297 H PHE 37 H PHE 37 -1.368 -1.856 -14.180 298 HA PHE 37 HA PHE 37 -0.873 0.709 -13.025 299 1HB PHE 37 1HB PHE 37 -1.932 0.060 -15.350 300 2HB PHE 37 2HB PHE 37 -3.491 -0.061 -14.480 301 HD1 PHE 37 HD1 PHE 37 -4.321 2.074 -13.222 302 HD2 PHE 37 HD2 PHE 37 -1.043 2.115 -16.015 303 HE1 PHE 37 HE1 PHE 37 -4.550 4.520 -13.467 304 HE2 PHE 37 HE2 PHE 37 -1.347 4.536 -16.328 305 HZ PHE 37 HZ PHE 37 -3.051 5.751 -15.018 306 H ASP 38 H ASP 38 -3.657 -1.663 -12.400 307 HA ASP 38 HA ASP 38 -4.981 -0.084 -10.437 308 1HB ASP 38 1HB ASP 38 -5.787 -2.176 -11.707 309 2HB ASP 38 2HB ASP 38 -4.716 -3.148 -10.646 310 H LEU 39 H LEU 39 -2.037 -2.341 -10.064 311 HA LEU 39 HA LEU 39 -1.904 -2.400 -7.304 312 1HB LEU 39 1HB LEU 39 -0.352 -3.691 -8.747 313 2HB LEU 39 2HB LEU 39 0.469 -2.173 -9.227 314 HG LEU 39 HG LEU 39 1.227 -1.824 -6.879 315 1HD1 LEU 39 1HD1 LEU 39 1.039 -3.677 -5.195 316 2HD1 LEU 39 2HD1 LEU 39 -0.563 -2.967 -5.593 317 3HD1 LEU 39 3HD1 LEU 39 -0.085 -4.560 -6.295 318 1HD2 LEU 39 1HD2 LEU 39 2.926 -3.629 -6.844 319 2HD2 LEU 39 2HD2 LEU 39 1.949 -4.599 -8.013 320 3HD2 LEU 39 3HD2 LEU 39 2.662 -3.023 -8.521 321 H PHE 40 H PHE 40 -0.470 0.140 -9.455 322 HA PHE 40 HA PHE 40 0.316 1.739 -7.155 323 1HB PHE 40 1HB PHE 40 0.590 2.305 -10.151 324 2HB PHE 40 2HB PHE 40 1.238 3.364 -8.826 325 HD1 PHE 40 HD1 PHE 40 2.791 2.330 -7.093 326 HD2 PHE 40 HD2 PHE 40 1.808 0.307 -10.752 327 HE1 PHE 40 HE1 PHE 40 4.671 0.762 -6.735 328 HE2 PHE 40 HE2 PHE 40 3.660 -1.279 -10.378 329 HZ PHE 40 HZ PHE 40 5.096 -1.061 -8.369 330 H ASP 41 H ASP 41 -2.270 2.137 -9.733 331 HA ASP 41 HA ASP 41 -3.485 4.240 -8.033 332 1HB ASP 41 1HB ASP 41 -3.078 4.765 -10.487 333 2HB ASP 41 2HB ASP 41 -4.212 3.441 -10.909 334 H ALA 42 H ALA 42 -4.229 2.587 -6.407 335 HA ALA 42 HA ALA 42 -6.007 0.468 -7.287 336 1HB ALA 42 1HB ALA 42 -5.320 1.379 -4.439 337 2HB ALA 42 2HB ALA 42 -6.154 -0.156 -4.897 338 3HB ALA 42 3HB ALA 42 -4.446 0.120 -5.390 339 H ASP 43 H ASP 43 -6.637 3.691 -5.757 340 HA ASP 43 HA ASP 43 -9.412 3.232 -5.226 341 1HB ASP 43 1HB ASP 43 -7.954 5.050 -4.185 342 2HB ASP 43 2HB ASP 43 -7.980 5.905 -5.766 343 H GLY 44 H GLY 44 -7.688 4.531 -8.190 344 1HA GLY 44 1HA GLY 44 -8.585 4.333 -10.329 345 2HA GLY 44 2HA GLY 44 -10.253 4.474 -9.672 346 H THR 45 H THR 45 -7.152 6.360 -9.929 347 HA THR 45 HA THR 45 -8.738 8.856 -9.766 348 HB THR 45 HB THR 45 -6.631 9.948 -9.060 349 HG1 THR 45 HG1 THR 45 -5.663 7.253 -8.969 350 1HG2 THR 45 1HG2 THR 45 -8.354 9.092 -7.434 351 2HG2 THR 45 2HG2 THR 45 -7.517 7.500 -7.373 352 3HG2 THR 45 3HG2 THR 45 -6.685 8.978 -6.766 353 H GLY 46 H GLY 46 -5.798 7.614 -11.644 354 1HA GLY 46 1HA GLY 46 -6.517 8.543 -14.097 355 2HA GLY 46 2HA GLY 46 -5.835 9.993 -13.277 356 H THR 47 H THR 47 -3.522 9.452 -12.162 357 HA THR 47 HA THR 47 -1.972 8.198 -14.338 358 HB THR 47 HB THR 47 -0.181 9.848 -14.042 359 HG1 THR 47 HG1 THR 47 -0.373 10.752 -12.159 360 1HG2 THR 47 1HG2 THR 47 -1.961 10.077 -15.806 361 2HG2 THR 47 2HG2 THR 47 -2.970 11.048 -14.670 362 3HG2 THR 47 3HG2 THR 47 -1.375 11.677 -15.226 363 H ILE 48 H ILE 48 -0.224 7.039 -14.010 364 HA ILE 48 HA ILE 48 0.779 6.530 -11.252 365 HB ILE 48 HB ILE 48 -0.031 4.415 -12.236 366 1HG1 ILE 48 1HG1 ILE 48 3.040 4.724 -12.318 367 2HG1 ILE 48 2HG1 ILE 48 2.004 4.233 -10.937 368 1HG2 ILE 48 1HG2 ILE 48 1.822 4.850 -14.658 369 2HG2 ILE 48 2HG2 ILE 48 0.068 5.241 -14.681 370 3HG2 ILE 48 3HG2 ILE 48 0.608 3.559 -14.397 371 1HD1 ILE 48 1HD1 ILE 48 1.370 2.136 -12.291 372 2HD1 ILE 48 2HD1 ILE 48 3.125 2.255 -11.884 373 3HD1 ILE 48 3HD1 ILE 48 2.566 2.644 -13.542 374 H ASP 49 H ASP 49 2.801 7.515 -11.009 375 HA ASP 49 HA ASP 49 3.867 8.904 -13.411 376 1HB ASP 49 1HB ASP 49 4.037 9.545 -10.439 377 2HB ASP 49 2HB ASP 49 5.138 10.322 -11.640 378 H VAL 50 H VAL 50 6.383 9.318 -13.407 379 HA VAL 50 HA VAL 50 7.478 6.913 -14.103 380 HB VAL 50 HB VAL 50 9.759 8.034 -14.143 381 1HG1 VAL 50 1HG1 VAL 50 8.999 9.448 -16.072 382 2HG1 VAL 50 2HG1 VAL 50 8.231 7.819 -16.067 383 3HG1 VAL 50 3HG1 VAL 50 7.287 9.248 -15.537 384 1HG2 VAL 50 1HG2 VAL 50 9.756 10.496 -13.805 385 2HG2 VAL 50 2HG2 VAL 50 9.329 9.674 -12.265 386 3HG2 VAL 50 3HG2 VAL 50 8.048 10.472 -13.255 387 H LYS 51 H LYS 51 7.941 8.191 -10.747 388 HA LYS 51 HA LYS 51 9.906 6.365 -9.870 389 1HB LYS 51 1HB LYS 51 7.435 7.360 -8.324 390 2HB LYS 51 2HB LYS 51 8.935 6.690 -7.593 391 1HG LYS 51 1HG LYS 51 10.224 8.651 -8.399 392 2HG LYS 51 2HG LYS 51 8.793 9.267 -9.298 393 1HD LYS 51 1HD LYS 51 7.515 9.435 -7.150 394 2HD LYS 51 2HD LYS 51 9.006 8.978 -6.247 395 1HE LYS 51 1HE LYS 51 10.174 11.029 -7.112 396 2HE LYS 51 2HE LYS 51 8.721 11.449 -8.107 397 1HZ LYS 51 1HZ LYS 51 8.805 12.692 -6.076 398 2HZ LYS 51 2HZ LYS 51 8.810 11.277 -5.138 399 3HZ LYS 51 3HZ LYS 51 7.453 11.668 -6.082 400 H GLU 52 H GLU 52 6.314 6.010 -9.506 401 HA GLU 52 HA GLU 52 6.104 3.306 -8.833 402 1HB GLU 52 1HB GLU 52 4.233 5.138 -10.405 403 2HB GLU 52 2HB GLU 52 3.736 3.614 -9.591 404 1HG GLU 52 1HG GLU 52 4.182 4.574 -7.374 405 2HG GLU 52 2HG GLU 52 4.927 6.054 -8.081 406 H LEU 53 H LEU 53 5.874 4.776 -12.254 407 HA LEU 53 HA LEU 53 5.491 2.328 -13.574 408 1HB LEU 53 1HB LEU 53 5.219 4.651 -14.539 409 2HB LEU 53 2HB LEU 53 7.004 4.791 -14.602 410 HG LEU 53 HG LEU 53 7.084 2.866 -16.223 411 1HD1 LEU 53 1HD1 LEU 53 4.003 2.984 -16.063 412 2HD1 LEU 53 2HD1 LEU 53 5.060 1.595 -15.614 413 3HD1 LEU 53 3HD1 LEU 53 4.941 2.109 -17.330 414 1HD2 LEU 53 1HD2 LEU 53 6.185 4.101 -18.173 415 2HD2 LEU 53 2HD2 LEU 53 5.222 5.167 -17.083 416 3HD2 LEU 53 3HD2 LEU 53 7.025 5.216 -17.034 417 H LYS 54 H LYS 54 8.698 3.804 -12.622 418 HA LYS 54 HA LYS 54 10.323 1.897 -13.920 419 1HB LYS 54 1HB LYS 54 11.012 4.142 -12.964 420 2HB LYS 54 2HB LYS 54 11.062 3.377 -11.344 421 1HG LYS 54 1HG LYS 54 12.865 1.839 -12.124 422 2HG LYS 54 2HG LYS 54 12.608 2.368 -13.824 423 1HD LYS 54 1HD LYS 54 13.272 4.708 -13.182 424 2HD LYS 54 2HD LYS 54 13.694 4.117 -11.535 425 1HE LYS 54 1HE LYS 54 15.448 2.603 -12.523 426 2HE LYS 54 2HE LYS 54 14.961 3.111 -14.190 427 1HZ LYS 54 1HZ LYS 54 16.900 4.275 -13.427 428 2HZ LYS 54 2HZ LYS 54 16.074 4.893 -12.081 429 3HZ LYS 54 3HZ LYS 54 15.613 5.356 -13.647 430 H VAL 55 H VAL 55 9.201 1.845 -10.390 431 HA VAL 55 HA VAL 55 10.209 -0.801 -9.966 432 HB VAL 55 HB VAL 55 8.785 -0.947 -7.972 433 1HG1 VAL 55 1HG1 VAL 55 10.412 1.671 -8.316 434 2HG1 VAL 55 2HG1 VAL 55 10.036 0.837 -6.765 435 3HG1 VAL 55 3HG1 VAL 55 11.102 0.039 -7.977 436 1HG2 VAL 55 1HG2 VAL 55 6.844 0.446 -8.829 437 2HG2 VAL 55 2HG2 VAL 55 7.893 1.905 -8.786 438 3HG2 VAL 55 3HG2 VAL 55 7.483 1.047 -7.261 439 H ALA 56 H ALA 56 7.087 0.292 -11.393 440 HA ALA 56 HA ALA 56 5.800 -2.201 -11.509 441 1HB ALA 56 1HB ALA 56 5.676 -0.025 -13.677 442 2HB ALA 56 2HB ALA 56 4.482 -1.339 -13.394 443 3HB ALA 56 3HB ALA 56 4.688 -0.033 -12.175 444 H MET 57 H MET 57 8.113 -0.767 -13.981 445 HA MET 57 HA MET 57 8.277 -3.122 -15.585 446 1HB MET 57 1HB MET 57 9.993 -0.642 -15.256 447 2HB MET 57 2HB MET 57 10.610 -2.032 -16.208 448 1HG MET 57 1HG MET 57 9.573 -0.333 -17.636 449 2HG MET 57 2HG MET 57 8.857 -1.962 -17.792 450 1HE MET 57 1HE MET 57 7.297 -0.757 -19.315 451 2HE MET 57 2HE MET 57 6.128 0.538 -18.869 452 3HE MET 57 3HE MET 57 7.890 0.890 -18.909 453 H ARG 58 H ARG 58 10.059 -2.386 -12.472 454 HA ARG 58 HA ARG 58 11.991 -4.471 -12.742 455 1HB ARG 58 1HB ARG 58 10.617 -3.508 -10.168 456 2HB ARG 58 2HB ARG 58 12.040 -4.602 -10.240 457 1HG ARG 58 1HG ARG 58 13.383 -2.812 -11.341 458 2HG ARG 58 2HG ARG 58 11.968 -1.702 -11.248 459 1HD ARG 58 1HD ARG 58 11.959 -1.961 -8.721 460 2HD ARG 58 2HD ARG 58 13.453 -2.989 -8.846 461 HE ARG 58 HE ARG 58 13.981 -0.580 -10.254 462 1HH1 ARG 58 1HH1 ARG 58 13.240 -1.598 -6.894 463 2HH1 ARG 58 2HH1 ARG 58 14.118 -0.327 -6.148 464 1HH2 ARG 58 1HH2 ARG 58 15.214 1.159 -9.215 465 2HH2 ARG 58 2HH2 ARG 58 15.262 1.286 -7.504 466 H ALA 59 H ALA 59 8.584 -4.644 -11.252 467 HA ALA 59 HA ALA 59 8.637 -7.500 -10.996 468 1HB ALA 59 1HB ALA 59 6.177 -7.309 -10.628 469 2HB ALA 59 2HB ALA 59 7.079 -6.085 -9.666 470 3HB ALA 59 3HB ALA 59 6.235 -5.591 -11.178 471 H LEU 60 H LEU 60 7.037 -5.428 -13.612 472 HA LEU 60 HA LEU 60 5.958 -7.715 -14.954 473 1HB LEU 60 1HB LEU 60 5.321 -5.105 -14.824 474 2HB LEU 60 2HB LEU 60 6.212 -5.030 -16.362 475 HG LEU 60 HG LEU 60 3.800 -6.845 -15.697 476 1HD1 LEU 60 1HD1 LEU 60 3.224 -4.414 -15.660 477 2HD1 LEU 60 2HD1 LEU 60 3.862 -4.230 -17.336 478 3HD1 LEU 60 3HD1 LEU 60 2.423 -5.274 -17.024 479 1HD2 LEU 60 1HD2 LEU 60 5.157 -6.338 -18.424 480 2HD2 LEU 60 2HD2 LEU 60 3.538 -7.107 -18.203 481 3HD2 LEU 60 3HD2 LEU 60 4.993 -7.904 -17.535 482 H GLY 61 H GLY 61 8.953 -5.844 -15.534 483 1HA GLY 61 1HA GLY 61 9.423 -5.868 -18.107 484 2HA GLY 61 2HA GLY 61 10.692 -6.133 -16.875 485 H PHE 62 H PHE 62 10.240 -8.916 -16.276 486 HA PHE 62 HA PHE 62 10.449 -11.000 -17.015 487 1HB PHE 62 1HB PHE 62 10.174 -10.230 -19.975 488 2HB PHE 62 2HB PHE 62 10.060 -11.875 -19.259 489 HD1 PHE 62 HD1 PHE 62 8.183 -9.331 -20.643 490 HD2 PHE 62 HD2 PHE 62 8.155 -11.955 -17.232 491 HE1 PHE 62 HE1 PHE 62 5.722 -9.140 -20.514 492 HE2 PHE 62 HE2 PHE 62 5.688 -11.742 -17.104 493 HZ PHE 62 HZ PHE 62 4.477 -10.351 -18.748 494 H GLU 63 H GLU 63 12.467 -12.157 -17.173 495 HA GLU 63 HA GLU 63 14.678 -10.558 -17.291 496 1HB GLU 63 1HB GLU 63 14.663 -13.574 -17.714 497 2HB GLU 63 2HB GLU 63 16.135 -12.602 -17.365 498 1HG GLU 63 1HG GLU 63 13.695 -12.898 -15.492 499 2HG GLU 63 2HG GLU 63 15.321 -13.648 -15.293 500 HA PRO 64 HA PRO 64 15.998 -11.655 -21.905 501 1HB PRO 64 1HB PRO 64 13.278 -10.549 -22.825 502 2HB PRO 64 2HB PRO 64 14.465 -11.502 -23.814 503 1HG PRO 64 1HG PRO 64 12.367 -12.800 -22.660 504 2HG PRO 64 2HG PRO 64 14.027 -13.516 -22.512 505 1HD PRO 64 1HD PRO 64 12.452 -11.934 -20.426 506 2HD PRO 64 2HD PRO 64 13.521 -13.391 -20.185 507 H LYS 65 H LYS 65 13.906 -8.822 -20.997 508 HA LYS 65 HA LYS 65 14.250 -6.660 -20.880 509 1HB LYS 65 1HB LYS 65 16.961 -7.642 -19.952 510 2HB LYS 65 2HB LYS 65 16.459 -5.915 -19.804 511 1HG LYS 65 1HG LYS 65 14.621 -6.433 -18.356 512 2HG LYS 65 2HG LYS 65 14.685 -8.178 -18.751 513 1HD LYS 65 1HD LYS 65 16.786 -8.482 -17.567 514 2HD LYS 65 2HD LYS 65 16.860 -6.730 -17.141 515 1HE LYS 65 1HE LYS 65 14.844 -6.903 -15.741 516 2HE LYS 65 2HE LYS 65 14.486 -8.564 -16.354 517 1HZ LYS 65 1HZ LYS 65 16.336 -9.434 -15.221 518 2HZ LYS 65 2HZ LYS 65 15.447 -8.512 -14.148 519 3HZ LYS 65 3HZ LYS 65 16.913 -7.888 -14.759 520 H LYS 66 H LYS 66 17.679 -6.505 -21.816 521 HA LYS 66 HA LYS 66 18.723 -5.328 -23.351 522 1HB LYS 66 1HB LYS 66 17.628 -6.841 -25.017 523 2HB LYS 66 2HB LYS 66 16.358 -5.600 -25.267 524 1HG LYS 66 1HG LYS 66 18.149 -3.957 -25.984 525 2HG LYS 66 2HG LYS 66 19.382 -5.250 -25.802 526 1HD LYS 66 1HD LYS 66 16.954 -5.311 -27.707 527 2HD LYS 66 2HD LYS 66 18.631 -4.848 -28.165 528 1HE LYS 66 1HE LYS 66 19.449 -7.158 -27.569 529 2HE LYS 66 2HE LYS 66 17.758 -7.645 -27.143 530 1HZ LYS 66 1HZ LYS 66 17.106 -7.181 -29.406 531 2HZ LYS 66 2HZ LYS 66 18.693 -6.727 -29.812 532 3HZ LYS 66 3HZ LYS 66 18.359 -8.322 -29.343 533 H GLU 67 H GLU 67 15.300 -4.053 -23.847 534 HA GLU 67 HA GLU 67 16.144 -1.520 -22.635 535 1HB GLU 67 1HB GLU 67 14.761 -1.567 -25.380 536 2HB GLU 67 2HB GLU 67 15.060 -0.096 -24.362 537 1HG GLU 67 1HG GLU 67 17.541 -0.489 -24.574 538 2HG GLU 67 2HG GLU 67 17.205 -1.891 -25.656 539 H GLU 68 H GLU 68 13.282 -1.018 -24.251 540 HA GLU 68 HA GLU 68 11.147 -0.830 -23.839 541 1HB GLU 68 1HB GLU 68 10.955 -3.178 -22.951 542 2HB GLU 68 2HB GLU 68 11.373 -2.560 -21.322 543 1HG GLU 68 1HG GLU 68 9.286 -1.034 -21.462 544 2HG GLU 68 2HG GLU 68 8.861 -1.885 -22.992 545 H ILE 69 H ILE 69 12.829 -0.804 -20.588 546 HA ILE 69 HA ILE 69 11.149 1.311 -19.668 547 HB ILE 69 HB ILE 69 12.033 0.993 -17.594 548 1HG1 ILE 69 1HG1 ILE 69 14.393 -0.217 -17.329 549 2HG1 ILE 69 2HG1 ILE 69 14.778 0.558 -18.888 550 1HG2 ILE 69 1HG2 ILE 69 12.353 -1.399 -17.322 551 2HG2 ILE 69 2HG2 ILE 69 11.242 -1.190 -18.724 552 3HG2 ILE 69 3HG2 ILE 69 12.977 -1.612 -18.981 553 1HD1 ILE 69 1HD1 ILE 69 13.836 1.975 -16.286 554 2HD1 ILE 69 2HD1 ILE 69 14.297 2.828 -17.803 555 3HD1 ILE 69 3HD1 ILE 69 15.534 1.899 -16.888 556 H LYS 70 H LYS 70 14.471 1.464 -21.102 557 HA LYS 70 HA LYS 70 14.966 4.241 -20.580 558 1HB LYS 70 1HB LYS 70 16.730 2.571 -21.291 559 2HB LYS 70 2HB LYS 70 15.893 2.398 -22.862 560 1HG LYS 70 1HG LYS 70 16.396 5.207 -22.616 561 2HG LYS 70 2HG LYS 70 17.864 4.429 -21.958 562 1HD LYS 70 1HD LYS 70 16.547 3.766 -24.668 563 2HD LYS 70 2HD LYS 70 17.899 4.935 -24.459 564 1HE LYS 70 1HE LYS 70 19.451 3.167 -23.751 565 2HE LYS 70 2HE LYS 70 18.119 1.944 -23.667 566 1HZ LYS 70 1HZ LYS 70 17.799 2.076 -25.970 567 2HZ LYS 70 2HZ LYS 70 19.451 1.794 -25.677 568 3HZ LYS 70 3HZ LYS 70 18.937 3.341 -26.161 569 H LYS 71 H LYS 71 13.379 2.463 -23.342 570 HA LYS 71 HA LYS 71 12.715 4.729 -24.914 571 1HB LYS 71 1HB LYS 71 11.134 2.100 -24.704 572 2HB LYS 71 2HB LYS 71 11.038 3.325 -26.018 573 1HG LYS 71 1HG LYS 71 13.519 2.857 -26.494 574 2HG LYS 71 2HG LYS 71 13.409 1.478 -25.342 575 1HD LYS 71 1HD LYS 71 11.455 0.578 -26.737 576 2HD LYS 71 2HD LYS 71 11.778 1.877 -27.933 577 1HE LYS 71 1HE LYS 71 13.658 -0.453 -27.137 578 2HE LYS 71 2HE LYS 71 12.802 -0.225 -28.713 579 1HZ LYS 71 1HZ LYS 71 15.070 0.392 -28.890 580 2HZ LYS 71 2HZ LYS 71 14.155 1.830 -28.991 581 3HZ LYS 71 3HZ LYS 71 15.007 1.405 -27.564 582 H MET 72 H MET 72 10.605 2.982 -22.330 583 HA MET 72 HA MET 72 8.444 4.758 -22.662 584 1HB MET 72 1HB MET 72 9.258 2.916 -20.406 585 2HB MET 72 2HB MET 72 8.032 4.175 -20.059 586 1HG MET 72 1HG MET 72 6.792 2.302 -20.576 587 2HG MET 72 2HG MET 72 6.619 3.403 -21.964 588 1HE MET 72 1HE MET 72 6.557 2.573 -24.247 589 2HE MET 72 2HE MET 72 7.761 1.453 -24.975 590 3HE MET 72 3HE MET 72 8.295 3.017 -24.271 591 H ILE 73 H ILE 73 11.252 5.232 -20.263 592 HA ILE 73 HA ILE 73 10.160 7.631 -19.190 593 HB ILE 73 HB ILE 73 13.075 6.767 -19.345 594 1HG1 ILE 73 1HG1 ILE 73 11.648 5.083 -18.182 595 2HG1 ILE 73 2HG1 ILE 73 12.803 5.895 -17.089 596 1HG2 ILE 73 1HG2 ILE 73 12.983 9.183 -18.862 597 2HG2 ILE 73 2HG2 ILE 73 11.677 8.945 -17.645 598 3HG2 ILE 73 3HG2 ILE 73 13.337 8.314 -17.334 599 1HD1 ILE 73 1HD1 ILE 73 9.777 6.500 -17.289 600 2HD1 ILE 73 2HD1 ILE 73 10.938 7.323 -16.178 601 3HD1 ILE 73 3HD1 ILE 73 10.602 5.566 -15.994 602 H SER 74 H SER 74 12.623 7.312 -21.963 603 HA SER 74 HA SER 74 12.636 10.135 -22.420 604 1HB SER 74 1HB SER 74 13.432 7.853 -24.311 605 2HB SER 74 2HB SER 74 13.885 9.592 -24.505 606 HG SER 74 HG SER 74 15.072 9.460 -22.655 607 H GLU 75 H GLU 75 10.313 7.705 -23.570 608 HA GLU 75 HA GLU 75 9.370 9.221 -25.832 609 1HB GLU 75 1HB GLU 75 9.307 6.761 -25.716 610 2HB GLU 75 2HB GLU 75 8.164 6.832 -24.336 611 1HG GLU 75 1HG GLU 75 6.395 7.763 -25.829 612 2HG GLU 75 2HG GLU 75 7.579 7.891 -27.190 613 H ILE 76 H ILE 76 7.673 8.421 -22.582 614 HA ILE 76 HA ILE 76 5.663 10.405 -23.231 615 HB ILE 76 HB ILE 76 5.810 9.045 -20.538 616 1HG1 ILE 76 1HG1 ILE 76 4.977 7.818 -23.245 617 2HG1 ILE 76 2HG1 ILE 76 6.244 7.219 -22.113 618 1HG2 ILE 76 1HG2 ILE 76 3.316 9.230 -20.771 619 2HG2 ILE 76 2HG2 ILE 76 4.059 10.834 -20.996 620 3HG2 ILE 76 3HG2 ILE 76 3.499 9.899 -22.429 621 1HD1 ILE 76 1HD1 ILE 76 4.308 5.791 -21.876 622 2HD1 ILE 76 2HD1 ILE 76 4.431 6.795 -20.381 623 3HD1 ILE 76 3HD1 ILE 76 3.201 7.186 -21.644 624 H ASP 77 H ASP 77 8.632 10.568 -21.122 625 HA ASP 77 HA ASP 77 7.778 13.215 -20.148 626 1HB ASP 77 1HB ASP 77 9.022 11.621 -18.561 627 2HB ASP 77 2HB ASP 77 10.485 11.888 -19.572 628 H LYS 78 H LYS 78 8.436 15.075 -21.218 629 HA LYS 78 HA LYS 78 10.322 14.774 -23.482 630 1HB LYS 78 1HB LYS 78 7.648 15.029 -23.861 631 2HB LYS 78 2HB LYS 78 8.042 16.759 -23.694 632 1HG LYS 78 1HG LYS 78 8.197 16.487 -25.974 633 2HG LYS 78 2HG LYS 78 9.916 16.197 -25.552 634 1HD LYS 78 1HD LYS 78 7.739 14.042 -26.016 635 2HD LYS 78 2HD LYS 78 8.911 14.606 -27.258 636 1HE LYS 78 1HE LYS 78 10.826 13.701 -25.923 637 2HE LYS 78 2HE LYS 78 9.680 13.170 -24.628 638 1HZ LYS 78 1HZ LYS 78 10.322 11.410 -26.021 639 2HZ LYS 78 2HZ LYS 78 9.650 12.152 -27.410 640 3HZ LYS 78 3HZ LYS 78 8.653 11.680 -26.097 641 H GLU 79 H GLU 79 8.811 17.509 -21.587 642 HA GLU 79 HA GLU 79 11.313 19.038 -21.945 643 1HB GLU 79 1HB GLU 79 9.023 20.085 -22.402 644 2HB GLU 79 2HB GLU 79 8.652 19.909 -20.662 645 1HG GLU 79 1HG GLU 79 9.354 22.208 -21.092 646 2HG GLU 79 2HG GLU 79 10.669 21.417 -20.147 647 H GLY 80 H GLY 80 9.020 18.214 -19.179 648 1HA GLY 80 1HA GLY 80 10.958 16.988 -17.652 649 2HA GLY 80 2HA GLY 80 10.827 18.695 -17.086 650 H THR 81 H THR 81 8.445 16.080 -18.021 651 HA THR 81 HA THR 81 7.359 16.035 -15.340 652 HB THR 81 HB THR 81 4.918 16.234 -16.242 653 HG1 THR 81 HG1 THR 81 6.397 17.694 -18.170 654 1HG2 THR 81 1HG2 THR 81 5.968 17.834 -14.618 655 2HG2 THR 81 2HG2 THR 81 6.615 18.806 -15.989 656 3HG2 THR 81 3HG2 THR 81 4.835 18.645 -15.758 657 H GLY 82 H GLY 82 7.771 13.757 -15.171 658 1HA GLY 82 1HA GLY 82 6.924 12.027 -17.388 659 2HA GLY 82 2HA GLY 82 7.912 11.629 -15.948 660 H LYS 83 H LYS 83 4.887 11.442 -17.419 661 HA LYS 83 HA LYS 83 3.652 10.184 -15.096 662 1HB LYS 83 1HB LYS 83 1.576 11.332 -15.219 663 2HB LYS 83 2HB LYS 83 2.857 12.561 -15.055 664 1HG LYS 83 1HG LYS 83 1.332 11.854 -17.669 665 2HG LYS 83 2HG LYS 83 1.005 13.204 -16.549 666 1HD LYS 83 1HD LYS 83 2.171 14.427 -18.009 667 2HD LYS 83 2HD LYS 83 3.589 13.821 -17.089 668 1HE LYS 83 1HE LYS 83 3.850 11.982 -18.872 669 2HE LYS 83 2HE LYS 83 2.457 12.697 -19.770 670 1HZ LYS 83 1HZ LYS 83 4.701 13.332 -20.542 671 2HZ LYS 83 2HZ LYS 83 4.966 14.135 -19.068 672 3HZ LYS 83 3HZ LYS 83 3.731 14.672 -20.113 673 H MET 84 H MET 84 1.706 8.844 -15.643 674 HA MET 84 HA MET 84 1.309 8.281 -18.490 675 1HB MET 84 1HB MET 84 3.062 6.661 -17.816 676 2HB MET 84 2HB MET 84 2.063 6.150 -16.421 677 1HG MET 84 1HG MET 84 0.305 5.306 -18.010 678 2HG MET 84 2HG MET 84 1.337 5.762 -19.396 679 1HE MET 84 1HE MET 84 3.992 3.080 -19.648 680 2HE MET 84 2HE MET 84 4.070 4.843 -19.322 681 3HE MET 84 3HE MET 84 2.874 4.198 -20.504 682 H ASN 85 H ASN 85 -0.869 8.190 -18.904 683 HA ASN 85 HA ASN 85 -2.719 7.423 -16.730 684 1HB ASN 85 1HB ASN 85 -4.561 8.166 -18.402 685 2HB ASN 85 2HB ASN 85 -3.553 9.420 -17.622 686 1HD2 ASN 85 1HD2 ASN 85 -4.593 8.224 -20.740 687 2HD2 ASN 85 2HD2 ASN 85 -3.349 8.980 -21.703 688 H PHE 86 H PHE 86 -4.532 5.961 -17.352 689 HA PHE 86 HA PHE 86 -3.500 3.527 -18.345 690 1HB PHE 86 1HB PHE 86 -5.467 4.020 -16.695 691 2HB PHE 86 2HB PHE 86 -6.494 4.257 -18.147 692 HD1 PHE 86 HD1 PHE 86 -3.878 1.724 -17.020 693 HD2 PHE 86 HD2 PHE 86 -7.880 2.397 -18.431 694 HE1 PHE 86 HE1 PHE 86 -4.360 -0.683 -16.783 695 HE2 PHE 86 HE2 PHE 86 -8.355 -0.019 -18.221 696 HZ PHE 86 HZ PHE 86 -6.604 -1.562 -17.371 697 H GLY 87 H GLY 87 -4.977 6.167 -20.214 698 1HA GLY 87 1HA GLY 87 -5.629 4.588 -22.550 699 2HA GLY 87 2HA GLY 87 -5.449 6.378 -22.424 700 H ASP 88 H ASP 88 -2.803 6.764 -21.655 701 HA ASP 88 HA ASP 88 -1.159 6.074 -23.818 702 1HB ASP 88 1HB ASP 88 -0.544 7.067 -20.981 703 2HB ASP 88 2HB ASP 88 0.767 6.709 -22.162 704 H PHE 89 H PHE 89 -1.312 4.456 -20.509 705 HA PHE 89 HA PHE 89 0.598 2.535 -20.954 706 1HB PHE 89 1HB PHE 89 -0.642 3.005 -18.742 707 2HB PHE 89 2HB PHE 89 -1.963 1.954 -19.356 708 HD1 PHE 89 HD1 PHE 89 -1.769 0.377 -17.600 709 HD2 PHE 89 HD2 PHE 89 1.766 1.217 -19.921 710 HE1 PHE 89 HE1 PHE 89 -0.572 -1.486 -16.499 711 HE2 PHE 89 HE2 PHE 89 2.910 -0.653 -18.855 712 HZ PHE 89 HZ PHE 89 1.761 -2.012 -17.129 713 H LEU 90 H LEU 90 -2.971 2.050 -21.711 714 HA LEU 90 HA LEU 90 -2.479 -0.557 -22.827 715 1HB LEU 90 1HB LEU 90 -4.883 1.299 -22.779 716 2HB LEU 90 2HB LEU 90 -4.869 -0.077 -23.927 717 HG LEU 90 HG LEU 90 -4.483 -1.690 -22.111 718 1HD1 LEU 90 1HD1 LEU 90 -3.433 -0.254 -20.351 719 2HD1 LEU 90 2HD1 LEU 90 -4.896 -1.098 -19.745 720 3HD1 LEU 90 3HD1 LEU 90 -4.983 0.651 -20.164 721 1HD2 LEU 90 1HD2 LEU 90 -6.813 -1.647 -21.232 722 2HD2 LEU 90 2HD2 LEU 90 -6.993 0.070 -21.751 723 3HD2 LEU 90 3HD2 LEU 90 -6.768 -1.228 -22.985 724 H THR 91 H THR 91 -2.840 2.732 -24.528 725 HA THR 91 HA THR 91 -2.666 1.622 -27.116 726 HB THR 91 HB THR 91 -1.839 3.800 -27.940 727 HG1 THR 91 HG1 THR 91 -0.723 4.579 -26.222 728 1HG2 THR 91 1HG2 THR 91 -4.267 3.248 -27.736 729 2HG2 THR 91 2HG2 THR 91 -3.967 4.990 -27.393 730 3HG2 THR 91 3HG2 THR 91 -4.288 3.849 -26.038 731 H VAL 92 H VAL 92 0.126 2.802 -25.016 732 HA VAL 92 HA VAL 92 2.023 2.133 -27.001 733 HB VAL 92 HB VAL 92 2.245 3.860 -25.201 734 1HG1 VAL 92 1HG1 VAL 92 1.779 2.251 -23.227 735 2HG1 VAL 92 2HG1 VAL 92 3.418 1.564 -23.523 736 3HG1 VAL 92 3HG1 VAL 92 3.242 3.292 -23.071 737 1HG2 VAL 92 1HG2 VAL 92 4.009 3.266 -26.839 738 2HG2 VAL 92 2HG2 VAL 92 4.714 3.662 -25.230 739 3HG2 VAL 92 3HG2 VAL 92 4.592 1.939 -25.753 740 H MET 93 H MET 93 1.136 0.159 -24.001 741 HA MET 93 HA MET 93 2.968 -1.925 -24.701 742 1HB MET 93 1HB MET 93 0.832 -1.638 -22.607 743 2HB MET 93 2HB MET 93 1.271 -3.305 -23.089 744 1HG MET 93 1HG MET 93 2.627 -2.711 -21.197 745 2HG MET 93 2HG MET 93 3.622 -2.947 -22.658 746 1HE MET 93 1HE MET 93 5.115 -1.935 -20.395 747 2HE MET 93 2HE MET 93 5.989 -0.554 -21.142 748 3HE MET 93 3HE MET 93 5.682 -2.038 -22.097 749 H THR 94 H THR 94 -0.705 -1.805 -25.304 750 HA THR 94 HA THR 94 -0.694 -4.357 -26.521 751 HB THR 94 HB THR 94 -2.852 -4.007 -27.446 752 HG1 THR 94 HG1 THR 94 -2.667 -1.338 -26.500 753 1HG2 THR 94 1HG2 THR 94 -2.582 -4.584 -25.021 754 2HG2 THR 94 2HG2 THR 94 -4.058 -3.595 -25.310 755 3HG2 THR 94 3HG2 THR 94 -2.594 -2.837 -24.584 756 H GLN 95 H GLN 95 -0.402 -1.085 -28.254 757 HA GLN 95 HA GLN 95 -0.134 -2.227 -30.820 758 1HB GLN 95 1HB GLN 95 -0.543 0.204 -30.276 759 2HB GLN 95 2HB GLN 95 1.172 0.342 -29.764 760 1HG GLN 95 1HG GLN 95 1.896 -0.236 -32.125 761 2HG GLN 95 2HG GLN 95 0.160 -0.392 -32.600 762 1HE2 GLN 95 1HE2 GLN 95 1.232 1.378 -34.143 763 2HE2 GLN 95 2HE2 GLN 95 1.013 3.023 -33.642 764 H LYS 96 H LYS 96 2.576 -1.591 -28.380 765 HA LYS 96 HA LYS 96 4.568 -2.522 -30.266 766 1HB LYS 96 1HB LYS 96 4.806 -1.915 -27.294 767 2HB LYS 96 2HB LYS 96 6.181 -2.374 -28.366 768 1HG LYS 96 1HG LYS 96 5.726 -0.421 -29.842 769 2HG LYS 96 2HG LYS 96 4.331 0.056 -28.817 770 1HD LYS 96 1HD LYS 96 5.851 0.429 -26.885 771 2HD LYS 96 2HD LYS 96 7.271 -0.004 -27.907 772 1HE LYS 96 1HE LYS 96 6.801 1.932 -29.435 773 2HE LYS 96 2HE LYS 96 5.306 2.328 -28.500 774 1HZ LYS 96 1HZ LYS 96 6.702 2.775 -26.574 775 2HZ LYS 96 2HZ LYS 96 7.095 3.767 -27.861 776 3HZ LYS 96 3HZ LYS 96 8.100 2.450 -27.480 777 H MET 97 H MET 97 2.763 -4.316 -27.603 778 HA MET 97 HA MET 97 4.452 -6.658 -27.897 779 1HB MET 97 1HB MET 97 1.707 -6.273 -26.588 780 2HB MET 97 2HB MET 97 2.627 -7.819 -26.556 781 1HG MET 97 1HG MET 97 4.465 -6.798 -25.320 782 2HG MET 97 2HG MET 97 3.723 -5.174 -25.438 783 1HE MET 97 1HE MET 97 4.303 -5.069 -22.901 784 2HE MET 97 2HE MET 97 3.595 -6.115 -21.623 785 3HE MET 97 3HE MET 97 4.784 -6.794 -22.784 786 H SER 98 H SER 98 0.903 -6.138 -28.865 787 HA SER 98 HA SER 98 0.974 -8.550 -30.472 788 1HB SER 98 1HB SER 98 -1.042 -7.919 -29.127 789 2HB SER 98 2HB SER 98 -1.260 -6.467 -30.175 790 HG SER 98 HG SER 98 -1.408 -7.933 -31.929 Start of MODEL 4 1 1H MET 1 1H MET 1 -34.108 -4.983 -38.132 2 2H MET 1 2H MET 1 -32.693 -4.170 -38.620 3 3H MET 1 3H MET 1 -33.515 -5.190 -39.706 4 HA MET 1 HA MET 1 -31.590 -6.301 -38.898 5 1HB MET 1 1HB MET 1 -32.858 -5.941 -36.106 6 2HB MET 1 2HB MET 1 -31.420 -6.951 -36.467 7 1HG MET 1 1HG MET 1 -30.184 -4.915 -37.248 8 2HG MET 1 2HG MET 1 -31.597 -3.894 -36.823 9 1HE MET 1 1HE MET 1 -28.938 -2.890 -34.176 10 2HE MET 1 2HE MET 1 -28.658 -3.380 -35.881 11 3HE MET 1 3HE MET 1 -30.073 -2.352 -35.459 12 H ALA 2 H ALA 2 -32.002 -8.465 -39.623 13 HA ALA 2 HA ALA 2 -34.701 -9.512 -39.283 14 1HB ALA 2 1HB ALA 2 -34.029 -11.270 -40.892 15 2HB ALA 2 2HB ALA 2 -33.655 -9.628 -41.526 16 3HB ALA 2 3HB ALA 2 -32.333 -10.654 -40.859 17 H SER 3 H SER 3 -34.490 -9.945 -36.852 18 HA SER 3 HA SER 3 -32.824 -12.222 -36.089 19 1HB SER 3 1HB SER 3 -33.831 -11.927 -33.820 20 2HB SER 3 2HB SER 3 -33.032 -10.442 -34.445 21 HG SER 3 HG SER 3 -35.796 -11.025 -34.603 22 H ASN 4 H ASN 4 -33.740 -13.894 -37.521 23 HA ASN 4 HA ASN 4 -36.531 -14.360 -37.655 24 1HB ASN 4 1HB ASN 4 -34.255 -16.242 -38.518 25 2HB ASN 4 2HB ASN 4 -35.984 -16.383 -39.010 26 1HD2 ASN 4 1HD2 ASN 4 -33.050 -15.326 -40.179 27 2HD2 ASN 4 2HD2 ASN 4 -33.576 -14.043 -41.217 28 H PHE 5 H PHE 5 -34.048 -16.676 -36.170 29 HA PHE 5 HA PHE 5 -36.227 -18.380 -35.296 30 1HB PHE 5 1HB PHE 5 -33.214 -18.669 -34.701 31 2HB PHE 5 2HB PHE 5 -34.476 -19.952 -34.536 32 HD1 PHE 5 HD1 PHE 5 -35.920 -20.359 -36.756 33 HD2 PHE 5 HD2 PHE 5 -31.998 -18.589 -36.692 34 HE1 PHE 5 HE1 PHE 5 -35.618 -20.932 -39.139 35 HE2 PHE 5 HE2 PHE 5 -31.702 -19.166 -39.076 36 HZ PHE 5 HZ PHE 5 -33.513 -20.334 -40.307 37 H LYS 6 H LYS 6 -37.286 -16.835 -33.783 38 HA LYS 6 HA LYS 6 -37.814 -15.970 -31.823 39 1HB LYS 6 1HB LYS 6 -37.160 -18.115 -30.734 40 2HB LYS 6 2HB LYS 6 -35.523 -17.452 -30.440 41 1HG LYS 6 1HG LYS 6 -36.543 -15.585 -29.082 42 2HG LYS 6 2HG LYS 6 -38.167 -16.297 -29.332 43 1HD LYS 6 1HD LYS 6 -35.759 -17.622 -27.913 44 2HD LYS 6 2HD LYS 6 -37.133 -16.823 -27.090 45 1HE LYS 6 1HE LYS 6 -37.306 -19.394 -28.821 46 2HE LYS 6 2HE LYS 6 -37.372 -19.298 -27.019 47 1HZ LYS 6 1HZ LYS 6 -39.322 -18.083 -28.908 48 2HZ LYS 6 2HZ LYS 6 -39.542 -19.495 -27.990 49 3HZ LYS 6 3HZ LYS 6 -39.384 -17.993 -27.213 50 H LYS 7 H LYS 7 -34.223 -15.939 -31.171 51 HA LYS 7 HA LYS 7 -34.036 -13.236 -32.206 52 1HB LYS 7 1HB LYS 7 -33.336 -13.895 -29.297 53 2HB LYS 7 2HB LYS 7 -32.478 -12.581 -30.174 54 1HG LYS 7 1HG LYS 7 -35.527 -12.664 -29.849 55 2HG LYS 7 2HG LYS 7 -34.423 -11.796 -28.730 56 1HD LYS 7 1HD LYS 7 -33.698 -10.254 -30.426 57 2HD LYS 7 2HD LYS 7 -34.364 -11.265 -31.748 58 1HE LYS 7 1HE LYS 7 -36.710 -10.808 -30.951 59 2HE LYS 7 2HE LYS 7 -36.040 -9.646 -29.730 60 1HZ LYS 7 1HZ LYS 7 -36.762 -8.602 -31.798 61 2HZ LYS 7 2HZ LYS 7 -35.619 -9.499 -32.683 62 3HZ LYS 7 3HZ LYS 7 -35.103 -8.370 -31.521 63 H ALA 8 H ALA 8 -32.878 -14.285 -33.935 64 HA ALA 8 HA ALA 8 -30.691 -16.053 -33.358 65 1HB ALA 8 1HB ALA 8 -31.538 -14.798 -36.025 66 2HB ALA 8 2HB ALA 8 -30.355 -16.145 -35.819 67 3HB ALA 8 3HB ALA 8 -32.082 -16.388 -35.373 68 H ASN 9 H ASN 9 -29.262 -14.679 -32.061 69 HA ASN 9 HA ASN 9 -27.905 -12.437 -33.333 70 1HB ASN 9 1HB ASN 9 -27.303 -13.795 -30.643 71 2HB ASN 9 2HB ASN 9 -26.631 -12.223 -31.214 72 1HD2 ASN 9 1HD2 ASN 9 -28.938 -13.442 -29.151 73 2HD2 ASN 9 2HD2 ASN 9 -30.104 -12.162 -29.209 74 H MET 10 H MET 10 -26.947 -15.903 -32.687 75 HA MET 10 HA MET 10 -24.145 -15.377 -33.188 76 1HB MET 10 1HB MET 10 -25.597 -18.072 -33.022 77 2HB MET 10 2HB MET 10 -23.822 -17.828 -33.013 78 1HG MET 10 1HG MET 10 -25.860 -16.951 -30.880 79 2HG MET 10 2HG MET 10 -24.669 -18.270 -30.748 80 1HE MET 10 1HE MET 10 -21.223 -16.459 -30.449 81 2HE MET 10 2HE MET 10 -21.963 -16.980 -31.995 82 3HE MET 10 3HE MET 10 -22.126 -18.008 -30.528 83 H ALA 11 H ALA 11 -23.401 -14.950 -35.265 84 HA ALA 11 HA ALA 11 -24.816 -15.919 -37.594 85 1HB ALA 11 1HB ALA 11 -23.115 -14.689 -38.922 86 2HB ALA 11 2HB ALA 11 -22.172 -14.370 -37.415 87 3HB ALA 11 3HB ALA 11 -23.811 -13.651 -37.625 88 H SER 12 H SER 12 -24.608 -18.181 -37.917 89 HA SER 12 HA SER 12 -22.218 -19.607 -37.439 90 1HB SER 12 1HB SER 12 -24.599 -20.473 -39.176 91 2HB SER 12 2HB SER 12 -23.363 -21.559 -38.429 92 HG SER 12 HG SER 12 -25.283 -21.413 -37.222 93 H SER 13 H SER 13 -20.588 -20.511 -38.823 94 HA SER 13 HA SER 13 -20.002 -18.957 -41.132 95 1HB SER 13 1HB SER 13 -18.617 -21.433 -39.940 96 2HB SER 13 2HB SER 13 -17.858 -20.287 -41.100 97 HG SER 13 HG SER 13 -17.961 -18.705 -39.622 98 H SER 14 H SER 14 -22.158 -19.910 -42.275 99 HA SER 14 HA SER 14 -21.499 -22.170 -44.045 100 1HB SER 14 1HB SER 14 -23.827 -21.614 -45.031 101 2HB SER 14 2HB SER 14 -23.784 -22.193 -43.327 102 HG SER 14 HG SER 14 -25.107 -20.399 -43.545 103 H GLN 15 H GLN 15 -22.791 -18.826 -44.743 104 HA GLN 15 HA GLN 15 -21.284 -18.590 -47.210 105 1HB GLN 15 1HB GLN 15 -22.749 -16.426 -45.594 106 2HB GLN 15 2HB GLN 15 -22.130 -16.248 -47.276 107 1HG GLN 15 1HG GLN 15 -23.704 -18.056 -48.042 108 2HG GLN 15 2HG GLN 15 -24.336 -18.224 -46.362 109 1HE2 GLN 15 1HE2 GLN 15 -25.009 -16.722 -49.305 110 2HE2 GLN 15 2HE2 GLN 15 -25.933 -15.375 -48.729 111 H ARG 16 H ARG 16 -20.989 -16.787 -43.980 112 HA ARG 16 HA ARG 16 -18.321 -15.858 -44.679 113 1HB ARG 16 1HB ARG 16 -19.899 -14.497 -43.266 114 2HB ARG 16 2HB ARG 16 -19.812 -15.753 -41.998 115 1HG ARG 16 1HG ARG 16 -18.413 -13.823 -41.417 116 2HG ARG 16 2HG ARG 16 -17.414 -15.287 -41.627 117 1HD ARG 16 1HD ARG 16 -16.290 -13.284 -42.579 118 2HD ARG 16 2HD ARG 16 -16.662 -14.479 -43.894 119 HE ARG 16 HE ARG 16 -18.867 -12.646 -43.625 120 1HH1 ARG 16 1HH1 ARG 16 -15.442 -12.661 -44.686 121 2HH1 ARG 16 2HH1 ARG 16 -15.624 -11.373 -45.805 122 1HH2 ARG 16 1HH2 ARG 16 -19.109 -10.871 -45.172 123 2HH2 ARG 16 2HH2 ARG 16 -17.766 -10.330 -46.087 124 H LYS 17 H LYS 17 -17.539 -18.146 -45.143 125 HA LYS 17 HA LYS 17 -17.468 -20.045 -43.019 126 1HB LYS 17 1HB LYS 17 -17.799 -20.566 -45.418 127 2HB LYS 17 2HB LYS 17 -16.054 -20.269 -45.706 128 1HG LYS 17 1HG LYS 17 -15.440 -22.111 -44.180 129 2HG LYS 17 2HG LYS 17 -17.144 -22.298 -43.641 130 1HD LYS 17 1HD LYS 17 -16.157 -22.818 -46.515 131 2HD LYS 17 2HD LYS 17 -16.343 -24.068 -45.231 132 1HE LYS 17 1HE LYS 17 -18.816 -23.510 -45.060 133 2HE LYS 17 2HE LYS 17 -18.627 -22.354 -46.437 134 1HZ LYS 17 1HZ LYS 17 -18.095 -25.277 -46.514 135 2HZ LYS 17 2HZ LYS 17 -19.439 -24.464 -47.155 136 3HZ LYS 17 3HZ LYS 17 -17.897 -24.192 -47.806 137 H ARG 18 H ARG 18 -14.674 -18.238 -44.629 138 HA ARG 18 HA ARG 18 -12.869 -19.256 -42.520 139 1HB ARG 18 1HB ARG 18 -12.062 -19.207 -44.894 140 2HB ARG 18 2HB ARG 18 -12.217 -17.421 -44.883 141 1HG ARG 18 1HG ARG 18 -10.499 -17.318 -43.018 142 2HG ARG 18 2HG ARG 18 -10.436 -19.112 -43.003 143 1HD ARG 18 1HD ARG 18 -8.484 -18.196 -44.233 144 2HD ARG 18 2HD ARG 18 -9.568 -19.113 -45.372 145 HE ARG 18 HE ARG 18 -10.334 -16.327 -45.309 146 1HH1 ARG 18 1HH1 ARG 18 -7.682 -18.438 -46.485 147 2HH1 ARG 18 2HH1 ARG 18 -7.240 -17.415 -47.789 148 1HH2 ARG 18 1HH2 ARG 18 -9.719 -14.923 -47.115 149 2HH2 ARG 18 2HH2 ARG 18 -8.430 -15.366 -48.155 150 H MET 19 H MET 19 -13.466 -18.163 -40.588 151 HA MET 19 HA MET 19 -12.934 -15.267 -40.493 152 1HB MET 19 1HB MET 19 -15.435 -15.598 -40.687 153 2HB MET 19 2HB MET 19 -15.393 -16.587 -39.192 154 1HG MET 19 1HG MET 19 -14.552 -14.595 -37.917 155 2HG MET 19 2HG MET 19 -14.533 -13.631 -39.428 156 1HE MET 19 1HE MET 19 -17.378 -12.001 -37.329 157 2HE MET 19 2HE MET 19 -15.882 -12.772 -36.705 158 3HE MET 19 3HE MET 19 -15.826 -11.783 -38.206 159 H SER 20 H SER 20 -11.105 -15.256 -39.097 160 HA SER 20 HA SER 20 -11.347 -16.770 -36.550 161 1HB SER 20 1HB SER 20 -9.677 -17.849 -38.124 162 2HB SER 20 2HB SER 20 -8.730 -16.321 -38.100 163 HG SER 20 HG SER 20 -9.282 -18.149 -36.005 164 HA PRO 21 HA PRO 21 -10.642 -12.255 -35.549 165 1HB PRO 21 1HB PRO 21 -12.243 -13.102 -33.071 166 2HB PRO 21 2HB PRO 21 -12.397 -11.574 -34.030 167 1HG PRO 21 1HG PRO 21 -14.244 -13.566 -34.315 168 2HG PRO 21 2HG PRO 21 -13.592 -12.742 -35.795 169 1HD PRO 21 1HD PRO 21 -12.678 -15.430 -34.592 170 2HD PRO 21 2HD PRO 21 -13.107 -15.033 -36.318 171 H LYS 22 H LYS 22 -8.862 -11.444 -34.363 172 HA LYS 22 HA LYS 22 -7.685 -13.173 -32.253 173 1HB LYS 22 1HB LYS 22 -6.179 -11.872 -34.579 174 2HB LYS 22 2HB LYS 22 -5.429 -12.706 -33.171 175 1HG LYS 22 1HG LYS 22 -6.657 -14.819 -33.798 176 2HG LYS 22 2HG LYS 22 -7.307 -13.989 -35.253 177 1HD LYS 22 1HD LYS 22 -4.977 -13.624 -36.089 178 2HD LYS 22 2HD LYS 22 -4.330 -14.469 -34.633 179 1HE LYS 22 1HE LYS 22 -5.571 -16.572 -35.314 180 2HE LYS 22 2HE LYS 22 -6.183 -15.720 -36.788 181 1HZ LYS 22 1HZ LYS 22 -4.267 -17.068 -37.249 182 2HZ LYS 22 2HZ LYS 22 -3.330 -16.229 -36.111 183 3HZ LYS 22 3HZ LYS 22 -3.902 -15.429 -37.495 184 HA PRO 23 HA PRO 23 -7.949 -8.744 -30.805 185 1HB PRO 23 1HB PRO 23 -8.047 -10.225 -28.102 186 2HB PRO 23 2HB PRO 23 -8.984 -8.754 -28.592 187 1HG PRO 23 1HG PRO 23 -10.198 -11.193 -28.588 188 2HG PRO 23 2HG PRO 23 -10.440 -10.093 -30.011 189 1HD PRO 23 1HD PRO 23 -8.486 -12.462 -29.776 190 2HD PRO 23 2HD PRO 23 -9.627 -12.032 -31.133 191 H GLU 24 H GLU 24 -6.545 -7.267 -29.596 192 HA GLU 24 HA GLU 24 -3.823 -7.946 -29.226 193 1HB GLU 24 1HB GLU 24 -5.470 -5.670 -27.970 194 2HB GLU 24 2HB GLU 24 -3.675 -5.712 -28.062 195 1HG GLU 24 1HG GLU 24 -3.706 -5.448 -30.487 196 2HG GLU 24 2HG GLU 24 -5.483 -5.731 -30.571 197 H LEU 25 H LEU 25 -6.469 -7.555 -26.748 198 HA LEU 25 HA LEU 25 -4.571 -8.158 -24.555 199 1HB LEU 25 1HB LEU 25 -7.431 -7.031 -24.582 200 2HB LEU 25 2HB LEU 25 -6.451 -7.255 -23.095 201 HG LEU 25 HG LEU 25 -5.495 -5.491 -25.423 202 1HD1 LEU 25 1HD1 LEU 25 -7.782 -4.737 -24.796 203 2HD1 LEU 25 2HD1 LEU 25 -6.518 -3.533 -24.363 204 3HD1 LEU 25 3HD1 LEU 25 -7.261 -4.567 -23.077 205 1HD2 LEU 25 1HD2 LEU 25 -3.787 -6.095 -23.714 206 2HD2 LEU 25 2HD2 LEU 25 -4.187 -4.342 -23.632 207 3HD2 LEU 25 3HD2 LEU 25 -4.851 -5.476 -22.399 208 H THR 26 H THR 26 -4.521 -10.501 -24.755 209 HA THR 26 HA THR 26 -7.027 -11.950 -24.980 210 HB THR 26 HB THR 26 -5.431 -13.957 -25.089 211 HG1 THR 26 HG1 THR 26 -3.282 -13.381 -25.449 212 1HG2 THR 26 1HG2 THR 26 -4.747 -13.317 -27.415 213 2HG2 THR 26 2HG2 THR 26 -5.053 -11.579 -27.058 214 3HG2 THR 26 3HG2 THR 26 -6.419 -12.750 -27.077 215 H GLU 27 H GLU 27 -4.350 -13.071 -22.970 216 HA GLU 27 HA GLU 27 -6.028 -13.017 -20.515 217 1HB GLU 27 1HB GLU 27 -4.329 -15.399 -21.493 218 2HB GLU 27 2HB GLU 27 -5.105 -15.267 -19.873 219 1HG GLU 27 1HG GLU 27 -7.367 -15.190 -20.964 220 2HG GLU 27 2HG GLU 27 -6.595 -15.354 -22.587 221 H GLU 28 H GLU 28 -2.674 -13.936 -21.673 222 HA GLU 28 HA GLU 28 -1.221 -12.935 -19.525 223 1HB GLU 28 1HB GLU 28 -0.381 -14.444 -21.322 224 2HB GLU 28 2HB GLU 28 -0.421 -13.080 -22.486 225 1HG GLU 28 1HG GLU 28 1.367 -11.897 -21.190 226 2HG GLU 28 2HG GLU 28 1.318 -13.183 -19.924 227 H GLN 29 H GLN 29 -1.796 -11.034 -22.710 228 HA GLN 29 HA GLN 29 -0.508 -8.765 -21.574 229 1HB GLN 29 1HB GLN 29 -0.603 -9.218 -24.009 230 2HB GLN 29 2HB GLN 29 -2.321 -8.683 -24.027 231 1HG GLN 29 1HG GLN 29 -1.656 -6.389 -23.380 232 2HG GLN 29 2HG GLN 29 -0.018 -6.953 -22.908 233 1HE2 GLN 29 1HE2 GLN 29 -1.895 -7.634 -26.011 234 2HE2 GLN 29 2HE2 GLN 29 -0.700 -6.901 -27.032 235 H LYS 30 H LYS 30 -4.007 -9.580 -21.734 236 HA LYS 30 HA LYS 30 -5.138 -7.237 -20.665 237 1HB LYS 30 1HB LYS 30 -6.352 -9.181 -21.675 238 2HB LYS 30 2HB LYS 30 -5.910 -10.192 -20.268 239 1HG LYS 30 1HG LYS 30 -7.299 -8.769 -18.786 240 2HG LYS 30 2HG LYS 30 -7.659 -7.652 -20.155 241 1HD LYS 30 1HD LYS 30 -8.774 -9.469 -21.411 242 2HD LYS 30 2HD LYS 30 -8.375 -10.657 -20.133 243 1HE LYS 30 1HE LYS 30 -10.213 -8.183 -19.760 244 2HE LYS 30 2HE LYS 30 -10.771 -9.888 -20.009 245 1HZ LYS 30 1HZ LYS 30 -9.116 -8.902 -17.745 246 2HZ LYS 30 2HZ LYS 30 -9.629 -10.501 -17.985 247 3HZ LYS 30 3HZ LYS 30 -10.772 -9.277 -17.702 248 H GLN 31 H GLN 31 -4.011 -10.217 -18.819 249 HA GLN 31 HA GLN 31 -4.278 -9.187 -16.217 250 1HB GLN 31 1HB GLN 31 -3.974 -11.553 -16.650 251 2HB GLN 31 2HB GLN 31 -2.381 -11.286 -17.406 252 1HG GLN 31 1HG GLN 31 -2.788 -10.453 -14.471 253 2HG GLN 31 2HG GLN 31 -2.693 -12.200 -14.883 254 1HE2 GLN 31 1HE2 GLN 31 -0.735 -9.483 -14.106 255 2HE2 GLN 31 2HE2 GLN 31 0.775 -10.119 -14.649 256 H GLU 32 H GLU 32 -1.253 -8.987 -18.382 257 HA GLU 32 HA GLU 32 0.438 -7.741 -16.579 258 1HB GLU 32 1HB GLU 32 0.108 -7.337 -19.593 259 2HB GLU 32 2HB GLU 32 1.420 -6.540 -18.671 260 1HG GLU 32 1HG GLU 32 2.331 -8.731 -17.941 261 2HG GLU 32 2HG GLU 32 1.039 -9.593 -18.846 262 H ILE 33 H ILE 33 -1.749 -5.865 -18.866 263 HA ILE 33 HA ILE 33 -0.961 -3.363 -17.763 264 HB ILE 33 HB ILE 33 -3.236 -4.189 -19.596 265 1HG1 ILE 33 1HG1 ILE 33 -1.930 -2.415 -21.050 266 2HG1 ILE 33 2HG1 ILE 33 -0.588 -2.639 -19.889 267 1HG2 ILE 33 1HG2 ILE 33 -2.721 -1.385 -18.429 268 2HG2 ILE 33 2HG2 ILE 33 -4.245 -2.348 -18.369 269 3HG2 ILE 33 3HG2 ILE 33 -3.662 -1.687 -19.925 270 1HD1 ILE 33 1HD1 ILE 33 -1.927 -4.868 -21.577 271 2HD1 ILE 33 2HD1 ILE 33 -0.466 -5.074 -20.534 272 3HD1 ILE 33 3HD1 ILE 33 -0.393 -4.033 -21.996 273 H ARG 34 H ARG 34 -4.075 -5.327 -16.929 274 HA ARG 34 HA ARG 34 -4.782 -3.240 -15.066 275 1HB ARG 34 1HB ARG 34 -6.568 -4.757 -15.892 276 2HB ARG 34 2HB ARG 34 -5.857 -6.089 -14.908 277 1HG ARG 34 1HG ARG 34 -6.155 -4.737 -12.836 278 2HG ARG 34 2HG ARG 34 -6.694 -3.327 -13.813 279 1HD ARG 34 1HD ARG 34 -8.824 -4.537 -14.380 280 2HD ARG 34 2HD ARG 34 -8.252 -5.972 -13.402 281 HE ARG 34 HE ARG 34 -7.988 -3.558 -11.818 282 1HH1 ARG 34 1HH1 ARG 34 -10.611 -5.684 -13.045 283 2HH1 ARG 34 2HH1 ARG 34 -11.667 -5.321 -11.734 284 1HH2 ARG 34 1HH2 ARG 34 -9.322 -3.102 -10.142 285 2HH2 ARG 34 2HH2 ARG 34 -10.919 -3.776 -9.984 286 H GLU 35 H GLU 35 -2.903 -6.437 -14.520 287 HA GLU 35 HA GLU 35 -2.734 -6.194 -11.751 288 1HB GLU 35 1HB GLU 35 -1.981 -8.158 -12.984 289 2HB GLU 35 2HB GLU 35 -0.627 -7.245 -13.715 290 1HG GLU 35 1HG GLU 35 -0.861 -7.547 -10.648 291 2HG GLU 35 2HG GLU 35 -0.244 -8.901 -11.666 292 H ALA 36 H ALA 36 -0.333 -4.624 -14.135 293 HA ALA 36 HA ALA 36 1.061 -3.383 -11.971 294 1HB ALA 36 1HB ALA 36 2.182 -3.730 -14.112 295 2HB ALA 36 2HB ALA 36 0.996 -2.660 -14.951 296 3HB ALA 36 3HB ALA 36 2.149 -1.969 -13.747 297 H PHE 37 H PHE 37 -1.397 -1.814 -14.289 298 HA PHE 37 HA PHE 37 -1.036 0.751 -13.115 299 1HB PHE 37 1HB PHE 37 -2.143 0.072 -15.414 300 2HB PHE 37 2HB PHE 37 -3.664 -0.118 -14.485 301 HD1 PHE 37 HD1 PHE 37 -4.498 1.972 -13.139 302 HD2 PHE 37 HD2 PHE 37 -1.339 2.171 -16.058 303 HE1 PHE 37 HE1 PHE 37 -4.772 4.419 -13.280 304 HE2 PHE 37 HE2 PHE 37 -1.673 4.598 -16.248 305 HZ PHE 37 HZ PHE 37 -3.344 5.735 -14.829 306 H ASP 38 H ASP 38 -3.622 -1.796 -12.417 307 HA ASP 38 HA ASP 38 -4.939 -0.298 -10.386 308 1HB ASP 38 1HB ASP 38 -5.648 -2.452 -11.696 309 2HB ASP 38 2HB ASP 38 -4.696 -3.363 -10.483 310 H LEU 39 H LEU 39 -1.917 -2.491 -10.157 311 HA LEU 39 HA LEU 39 -1.669 -2.566 -7.407 312 1HB LEU 39 1HB LEU 39 -0.162 -3.782 -8.952 313 2HB LEU 39 2HB LEU 39 0.588 -2.238 -9.454 314 HG LEU 39 HG LEU 39 1.502 -1.910 -7.169 315 1HD1 LEU 39 1HD1 LEU 39 1.425 -3.763 -5.474 316 2HD1 LEU 39 2HD1 LEU 39 -0.201 -3.054 -5.766 317 3HD1 LEU 39 3HD1 LEU 39 0.233 -4.648 -6.497 318 1HD2 LEU 39 1HD2 LEU 39 2.139 -4.692 -8.348 319 2HD2 LEU 39 2HD2 LEU 39 2.824 -3.123 -8.903 320 3HD2 LEU 39 3HD2 LEU 39 3.198 -3.729 -7.247 321 H PHE 40 H PHE 40 -0.381 0.033 -9.559 322 HA PHE 40 HA PHE 40 0.420 1.640 -7.281 323 1HB PHE 40 1HB PHE 40 0.682 2.179 -10.277 324 2HB PHE 40 2HB PHE 40 1.298 3.284 -8.974 325 HD1 PHE 40 HD1 PHE 40 1.982 0.220 -10.842 326 HD2 PHE 40 HD2 PHE 40 2.827 2.292 -7.173 327 HE1 PHE 40 HE1 PHE 40 3.847 -1.329 -10.395 328 HE2 PHE 40 HE2 PHE 40 4.730 0.773 -6.755 329 HZ PHE 40 HZ PHE 40 5.229 -1.061 -8.357 330 H ASP 41 H ASP 41 -2.310 1.905 -9.674 331 HA ASP 41 HA ASP 41 -3.474 3.985 -7.908 332 1HB ASP 41 1HB ASP 41 -3.060 4.675 -10.327 333 2HB ASP 41 2HB ASP 41 -4.192 3.381 -10.837 334 H ALA 42 H ALA 42 -4.241 2.249 -6.400 335 HA ALA 42 HA ALA 42 -5.964 0.152 -7.421 336 1HB ALA 42 1HB ALA 42 -4.435 -0.263 -5.510 337 2HB ALA 42 2HB ALA 42 -6.146 -0.595 -5.069 338 3HB ALA 42 3HB ALA 42 -5.351 0.931 -4.515 339 H ASP 43 H ASP 43 -6.667 3.251 -5.666 340 HA ASP 43 HA ASP 43 -9.446 2.747 -5.244 341 1HB ASP 43 1HB ASP 43 -8.023 4.493 -4.051 342 2HB ASP 43 2HB ASP 43 -8.004 5.449 -5.573 343 H GLY 44 H GLY 44 -7.682 4.285 -8.067 344 1HA GLY 44 1HA GLY 44 -8.548 4.237 -10.235 345 2HA GLY 44 2HA GLY 44 -10.224 4.326 -9.594 346 H THR 45 H THR 45 -7.125 6.227 -9.649 347 HA THR 45 HA THR 45 -8.711 8.701 -9.305 348 HB THR 45 HB THR 45 -6.597 9.739 -8.536 349 HG1 THR 45 HG1 THR 45 -5.634 7.044 -8.652 350 1HG2 THR 45 1HG2 THR 45 -8.310 8.764 -6.967 351 2HG2 THR 45 2HG2 THR 45 -7.473 7.172 -7.032 352 3HG2 THR 45 3HG2 THR 45 -6.638 8.600 -6.320 353 H GLY 46 H GLY 46 -5.779 7.610 -11.286 354 1HA GLY 46 1HA GLY 46 -6.624 8.648 -13.663 355 2HA GLY 46 2HA GLY 46 -5.848 10.039 -12.822 356 H THR 47 H THR 47 -3.482 9.458 -11.928 357 HA THR 47 HA THR 47 -2.129 8.178 -14.218 358 HB THR 47 HB THR 47 -0.284 9.800 -14.018 359 HG1 THR 47 HG1 THR 47 -0.370 10.653 -12.080 360 1HG2 THR 47 1HG2 THR 47 -3.088 11.049 -14.444 361 2HG2 THR 47 2HG2 THR 47 -2.173 10.079 -15.657 362 3HG2 THR 47 3HG2 THR 47 -1.525 11.660 -15.095 363 H ILE 48 H ILE 48 -0.329 7.050 -14.051 364 HA ILE 48 HA ILE 48 0.853 6.471 -11.382 365 HB ILE 48 HB ILE 48 -0.062 4.384 -12.335 366 1HG1 ILE 48 1HG1 ILE 48 3.008 4.627 -12.573 367 2HG1 ILE 48 2HG1 ILE 48 2.038 4.165 -11.136 368 1HG2 ILE 48 1HG2 ILE 48 -0.084 5.225 -14.771 369 2HG2 ILE 48 2HG2 ILE 48 0.452 3.534 -14.536 370 3HG2 ILE 48 3HG2 ILE 48 1.664 4.815 -14.851 371 1HD1 ILE 48 1HD1 ILE 48 3.052 2.157 -12.129 372 2HD1 ILE 48 2HD1 ILE 48 1.276 2.080 -12.436 373 3HD1 ILE 48 3HD1 ILE 48 2.411 2.551 -13.756 374 H ASP 49 H ASP 49 2.897 7.433 -11.267 375 HA ASP 49 HA ASP 49 3.845 8.858 -13.675 376 1HB ASP 49 1HB ASP 49 4.264 9.307 -10.685 377 2HB ASP 49 2HB ASP 49 5.279 10.144 -11.917 378 H VAL 50 H VAL 50 6.391 9.193 -13.781 379 HA VAL 50 HA VAL 50 7.427 6.796 -14.564 380 HB VAL 50 HB VAL 50 9.754 7.960 -14.547 381 1HG1 VAL 50 1HG1 VAL 50 9.009 9.337 -16.513 382 2HG1 VAL 50 2HG1 VAL 50 7.292 9.012 -16.067 383 3HG1 VAL 50 3HG1 VAL 50 8.370 7.653 -16.531 384 1HG2 VAL 50 1HG2 VAL 50 9.164 9.633 -12.722 385 2HG2 VAL 50 2HG2 VAL 50 7.939 10.373 -13.823 386 3HG2 VAL 50 3HG2 VAL 50 9.675 10.408 -14.264 387 H LYS 51 H LYS 51 8.115 8.015 -11.171 388 HA LYS 51 HA LYS 51 10.046 6.000 -10.654 389 1HB LYS 51 1HB LYS 51 9.594 6.248 -8.237 390 2HB LYS 51 2HB LYS 51 10.102 7.727 -9.098 391 1HG LYS 51 1HG LYS 51 7.186 7.143 -8.311 392 2HG LYS 51 2HG LYS 51 8.374 8.006 -7.297 393 1HD LYS 51 1HD LYS 51 8.697 9.699 -9.155 394 2HD LYS 51 2HD LYS 51 7.279 8.985 -10.000 395 1HE LYS 51 1HE LYS 51 7.210 10.140 -7.124 396 2HE LYS 51 2HE LYS 51 6.754 11.049 -8.619 397 1HZ LYS 51 1HZ LYS 51 4.830 10.148 -7.526 398 2HZ LYS 51 2HZ LYS 51 5.046 9.391 -9.028 399 3HZ LYS 51 3HZ LYS 51 5.420 8.556 -7.629 400 H GLU 52 H GLU 52 6.509 5.909 -9.806 401 HA GLU 52 HA GLU 52 6.275 3.211 -9.172 402 1HB GLU 52 1HB GLU 52 4.206 5.011 -10.553 403 2HB GLU 52 2HB GLU 52 3.886 3.421 -9.796 404 1HG GLU 52 1HG GLU 52 3.151 4.932 -8.164 405 2HG GLU 52 2HG GLU 52 4.770 4.413 -7.571 406 H LEU 53 H LEU 53 5.824 4.709 -12.533 407 HA LEU 53 HA LEU 53 5.277 2.290 -13.831 408 1HB LEU 53 1HB LEU 53 5.013 4.661 -14.742 409 2HB LEU 53 2HB LEU 53 6.777 4.658 -15.052 410 HG LEU 53 HG LEU 53 6.432 2.626 -16.567 411 1HD1 LEU 53 1HD1 LEU 53 4.284 1.737 -15.685 412 2HD1 LEU 53 2HD1 LEU 53 4.119 2.161 -17.422 413 3HD1 LEU 53 3HD1 LEU 53 3.433 3.254 -16.164 414 1HD2 LEU 53 1HD2 LEU 53 5.520 3.931 -18.468 415 2HD2 LEU 53 2HD2 LEU 53 6.670 4.908 -17.482 416 3HD2 LEU 53 3HD2 LEU 53 4.892 5.181 -17.328 417 H LYS 54 H LYS 54 8.604 3.642 -13.129 418 HA LYS 54 HA LYS 54 10.079 1.702 -14.575 419 1HB LYS 54 1HB LYS 54 10.765 3.339 -12.099 420 2HB LYS 54 2HB LYS 54 11.950 2.218 -12.859 421 1HG LYS 54 1HG LYS 54 12.008 3.459 -14.919 422 2HG LYS 54 2HG LYS 54 10.548 4.400 -14.483 423 1HD LYS 54 1HD LYS 54 11.789 5.450 -12.571 424 2HD LYS 54 2HD LYS 54 13.298 4.626 -13.121 425 1HE LYS 54 1HE LYS 54 13.181 5.848 -15.310 426 2HE LYS 54 2HE LYS 54 11.602 6.588 -14.832 427 1HZ LYS 54 1HZ LYS 54 13.413 8.095 -14.524 428 2HZ LYS 54 2HZ LYS 54 12.728 7.701 -13.025 429 3HZ LYS 54 3HZ LYS 54 14.216 7.023 -13.483 430 H VAL 55 H VAL 55 9.223 1.600 -10.971 431 HA VAL 55 HA VAL 55 10.102 -1.113 -10.711 432 HB VAL 55 HB VAL 55 8.832 -1.234 -8.600 433 1HG1 VAL 55 1HG1 VAL 55 10.635 1.252 -9.025 434 2HG1 VAL 55 2HG1 VAL 55 11.209 -0.442 -8.781 435 3HG1 VAL 55 3HG1 VAL 55 10.319 0.411 -7.466 436 1HG2 VAL 55 1HG2 VAL 55 8.092 1.705 -9.260 437 2HG2 VAL 55 2HG2 VAL 55 6.938 0.326 -9.246 438 3HG2 VAL 55 3HG2 VAL 55 7.756 0.829 -7.728 439 H ALA 56 H ALA 56 6.918 0.180 -11.774 440 HA ALA 56 HA ALA 56 5.480 -2.224 -11.842 441 1HB ALA 56 1HB ALA 56 4.452 0.029 -12.323 442 2HB ALA 56 2HB ALA 56 4.068 -1.189 -13.590 443 3HB ALA 56 3HB ALA 56 5.319 0.060 -13.897 444 H MET 57 H MET 57 7.605 -0.859 -14.513 445 HA MET 57 HA MET 57 7.368 -3.130 -16.220 446 1HB MET 57 1HB MET 57 9.238 -0.772 -15.985 447 2HB MET 57 2HB MET 57 9.755 -2.163 -16.983 448 1HG MET 57 1HG MET 57 8.680 -0.432 -18.339 449 2HG MET 57 2HG MET 57 7.877 -2.025 -18.448 450 1HE MET 57 1HE MET 57 5.257 0.768 -19.237 451 2HE MET 57 2HE MET 57 6.209 -0.634 -19.843 452 3HE MET 57 3HE MET 57 7.041 0.895 -19.415 453 H ARG 58 H ARG 58 9.643 -2.665 -13.377 454 HA ARG 58 HA ARG 58 11.262 -4.946 -13.951 455 1HB ARG 58 1HB ARG 58 10.398 -3.905 -11.193 456 2HB ARG 58 2HB ARG 58 11.727 -5.076 -11.502 457 1HG ARG 58 1HG ARG 58 12.977 -3.342 -12.785 458 2HG ARG 58 2HG ARG 58 11.632 -2.177 -12.523 459 1HD ARG 58 1HD ARG 58 11.973 -2.405 -10.003 460 2HD ARG 58 2HD ARG 58 13.446 -3.420 -10.343 461 HE ARG 58 HE ARG 58 13.661 -1.018 -11.872 462 1HH1 ARG 58 1HH1 ARG 58 13.598 -2.013 -8.426 463 2HH1 ARG 58 2HH1 ARG 58 14.542 -0.694 -7.865 464 1HH2 ARG 58 1HH2 ARG 58 14.983 0.790 -11.093 465 2HH2 ARG 58 2HH2 ARG 58 15.350 0.939 -9.424 466 H ALA 59 H ALA 59 8.132 -4.787 -11.931 467 HA ALA 59 HA ALA 59 7.921 -7.628 -11.660 468 1HB ALA 59 1HB ALA 59 5.717 -5.484 -11.556 469 2HB ALA 59 2HB ALA 59 6.702 -6.055 -10.160 470 3HB ALA 59 3HB ALA 59 5.561 -7.185 -10.972 471 H LEU 60 H LEU 60 6.229 -5.407 -14.086 472 HA LEU 60 HA LEU 60 4.725 -7.520 -15.284 473 1HB LEU 60 1HB LEU 60 4.157 -5.097 -15.157 474 2HB LEU 60 2HB LEU 60 5.482 -4.699 -16.284 475 HG LEU 60 HG LEU 60 3.145 -6.537 -17.062 476 1HD1 LEU 60 1HD1 LEU 60 3.266 -3.458 -17.211 477 2HD1 LEU 60 2HD1 LEU 60 2.186 -4.452 -16.160 478 3HD1 LEU 60 3HD1 LEU 60 1.980 -4.490 -17.943 479 1HD2 LEU 60 1HD2 LEU 60 5.001 -4.735 -18.765 480 2HD2 LEU 60 2HD2 LEU 60 4.942 -6.535 -18.788 481 3HD2 LEU 60 3HD2 LEU 60 3.548 -5.608 -19.381 482 H GLY 61 H GLY 61 7.843 -5.918 -16.370 483 1HA GLY 61 1HA GLY 61 7.796 -6.455 -18.991 484 2HA GLY 61 2HA GLY 61 9.275 -6.433 -17.972 485 H PHE 62 H PHE 62 9.457 -8.766 -16.745 486 HA PHE 62 HA PHE 62 9.879 -10.932 -16.839 487 1HB PHE 62 1HB PHE 62 7.933 -11.266 -19.192 488 2HB PHE 62 2HB PHE 62 8.581 -12.581 -18.146 489 HD1 PHE 62 HD1 PHE 62 5.660 -11.243 -18.837 490 HD2 PHE 62 HD2 PHE 62 8.228 -11.512 -15.387 491 HE1 PHE 62 HE1 PHE 62 3.699 -11.063 -17.358 492 HE2 PHE 62 HE2 PHE 62 6.261 -11.317 -13.920 493 HZ PHE 62 HZ PHE 62 3.992 -11.092 -14.891 494 H GLU 63 H GLU 63 11.732 -12.099 -17.646 495 HA GLU 63 HA GLU 63 13.189 -10.795 -19.622 496 1HB GLU 63 1HB GLU 63 13.580 -13.704 -18.777 497 2HB GLU 63 2HB GLU 63 14.806 -12.644 -19.564 498 1HG GLU 63 1HG GLU 63 14.705 -11.079 -17.581 499 2HG GLU 63 2HG GLU 63 13.551 -12.201 -16.768 500 HA PRO 64 HA PRO 64 12.072 -14.081 -23.150 501 1HB PRO 64 1HB PRO 64 9.175 -13.053 -22.997 502 2HB PRO 64 2HB PRO 64 9.765 -14.526 -23.878 503 1HG PRO 64 1HG PRO 64 8.705 -14.825 -21.390 504 2HG PRO 64 2HG PRO 64 10.268 -15.659 -21.777 505 1HD PRO 64 1HD PRO 64 9.830 -13.083 -20.196 506 2HD PRO 64 2HD PRO 64 11.016 -14.431 -19.869 507 H LYS 65 H LYS 65 10.856 -10.723 -22.677 508 HA LYS 65 HA LYS 65 11.326 -10.108 -25.500 509 1HB LYS 65 1HB LYS 65 10.221 -7.842 -24.953 510 2HB LYS 65 2HB LYS 65 9.274 -9.345 -25.094 511 1HG LYS 65 1HG LYS 65 8.232 -8.528 -23.341 512 2HG LYS 65 2HG LYS 65 9.428 -9.481 -22.433 513 1HD LYS 65 1HD LYS 65 9.641 -6.454 -23.048 514 2HD LYS 65 2HD LYS 65 8.822 -7.159 -21.617 515 1HE LYS 65 1HE LYS 65 11.104 -8.293 -21.029 516 2HE LYS 65 2HE LYS 65 11.833 -7.161 -22.241 517 1HZ LYS 65 1HZ LYS 65 10.176 -6.332 -19.925 518 2HZ LYS 65 2HZ LYS 65 11.877 -6.332 -19.973 519 3HZ LYS 65 3HZ LYS 65 10.989 -5.317 -21.021 520 H LYS 66 H LYS 66 12.566 -8.269 -26.269 521 HA LYS 66 HA LYS 66 15.063 -8.183 -24.859 522 1HB LYS 66 1HB LYS 66 14.922 -8.440 -27.343 523 2HB LYS 66 2HB LYS 66 14.300 -6.767 -27.470 524 1HG LYS 66 1HG LYS 66 16.682 -6.862 -28.042 525 2HG LYS 66 2HG LYS 66 16.471 -5.893 -26.545 526 1HD LYS 66 1HD LYS 66 17.199 -7.847 -25.166 527 2HD LYS 66 2HD LYS 66 17.338 -8.853 -26.656 528 1HE LYS 66 1HE LYS 66 19.167 -7.341 -27.503 529 2HE LYS 66 2HE LYS 66 19.001 -6.310 -26.024 530 1HZ LYS 66 1HZ LYS 66 19.769 -9.186 -26.080 531 2HZ LYS 66 2HZ LYS 66 20.805 -7.863 -25.841 532 3HZ LYS 66 3HZ LYS 66 19.607 -8.219 -24.693 533 H GLU 67 H GLU 67 13.213 -5.237 -26.194 534 HA GLU 67 HA GLU 67 13.807 -3.820 -23.729 535 1HB GLU 67 1HB GLU 67 15.906 -3.660 -25.104 536 2HB GLU 67 2HB GLU 67 15.004 -2.754 -26.351 537 1HG GLU 67 1HG GLU 67 15.132 -1.848 -23.388 538 2HG GLU 67 2HG GLU 67 16.466 -1.484 -24.541 539 H GLU 68 H GLU 68 11.976 -2.855 -23.202 540 HA GLU 68 HA GLU 68 10.666 -1.043 -25.107 541 1HB GLU 68 1HB GLU 68 8.538 -1.596 -23.447 542 2HB GLU 68 2HB GLU 68 8.820 -2.309 -25.057 543 1HG GLU 68 1HG GLU 68 8.171 -4.041 -23.495 544 2HG GLU 68 2HG GLU 68 9.833 -4.339 -24.096 545 H ILE 69 H ILE 69 11.517 -1.641 -21.575 546 HA ILE 69 HA ILE 69 10.293 0.709 -20.654 547 HB ILE 69 HB ILE 69 11.066 0.190 -18.570 548 1HG1 ILE 69 1HG1 ILE 69 13.260 -1.321 -18.302 549 2HG1 ILE 69 2HG1 ILE 69 13.785 -0.506 -19.796 550 1HG2 ILE 69 1HG2 ILE 69 11.738 -2.442 -20.044 551 2HG2 ILE 69 2HG2 ILE 69 10.054 -1.859 -19.717 552 3HG2 ILE 69 3HG2 ILE 69 11.189 -2.252 -18.372 553 1HD1 ILE 69 1HD1 ILE 69 14.613 0.614 -17.689 554 2HD1 ILE 69 2HD1 ILE 69 13.525 1.736 -18.576 555 3HD1 ILE 69 3HD1 ILE 69 12.915 0.847 -17.133 556 H LYS 70 H LYS 70 13.638 0.501 -22.124 557 HA LYS 70 HA LYS 70 14.420 3.117 -21.192 558 1HB LYS 70 1HB LYS 70 16.127 1.434 -22.014 559 2HB LYS 70 2HB LYS 70 15.513 1.717 -23.678 560 1HG LYS 70 1HG LYS 70 16.035 4.191 -23.383 561 2HG LYS 70 2HG LYS 70 16.757 3.808 -21.781 562 1HD LYS 70 1HD LYS 70 18.432 2.317 -22.924 563 2HD LYS 70 2HD LYS 70 17.705 2.721 -24.514 564 1HE LYS 70 1HE LYS 70 19.072 4.711 -22.562 565 2HE LYS 70 2HE LYS 70 19.763 4.080 -24.110 566 1HZ LYS 70 1HZ LYS 70 18.849 6.261 -24.376 567 2HZ LYS 70 2HZ LYS 70 17.938 5.152 -25.280 568 3HZ LYS 70 3HZ LYS 70 17.326 5.767 -23.822 569 H LYS 71 H LYS 71 12.899 1.851 -24.241 570 HA LYS 71 HA LYS 71 12.450 4.320 -25.545 571 1HB LYS 71 1HB LYS 71 10.578 1.879 -25.548 572 2HB LYS 71 2HB LYS 71 10.542 3.239 -26.721 573 1HG LYS 71 1HG LYS 71 12.820 2.606 -27.530 574 2HG LYS 71 2HG LYS 71 12.866 1.267 -26.330 575 1HD LYS 71 1HD LYS 71 10.839 0.232 -27.408 576 2HD LYS 71 2HD LYS 71 10.817 1.568 -28.608 577 1HE LYS 71 1HE LYS 71 11.842 -0.410 -29.640 578 2HE LYS 71 2HE LYS 71 13.118 0.856 -29.422 579 1HZ LYS 71 1HZ LYS 71 12.650 -1.475 -27.609 580 2HZ LYS 71 2HZ LYS 71 13.856 -1.349 -28.798 581 3HZ LYS 71 3HZ LYS 71 13.879 -0.323 -27.444 582 H MET 72 H MET 72 10.247 2.602 -23.126 583 HA MET 72 HA MET 72 8.162 4.446 -23.294 584 1HB MET 72 1HB MET 72 8.307 2.093 -22.106 585 2HB MET 72 2HB MET 72 8.844 3.001 -20.672 586 1HG MET 72 1HG MET 72 6.439 2.672 -20.504 587 2HG MET 72 2HG MET 72 6.731 4.402 -20.820 588 1HE MET 72 1HE MET 72 5.484 0.934 -22.134 589 2HE MET 72 2HE MET 72 5.057 1.228 -23.851 590 3HE MET 72 3HE MET 72 6.778 1.198 -23.356 591 H ILE 73 H ILE 73 10.836 4.495 -20.714 592 HA ILE 73 HA ILE 73 9.917 6.924 -19.543 593 HB ILE 73 HB ILE 73 12.732 5.776 -19.475 594 1HG1 ILE 73 1HG1 ILE 73 11.127 4.072 -18.707 595 2HG1 ILE 73 2HG1 ILE 73 12.073 4.722 -17.345 596 1HG2 ILE 73 1HG2 ILE 73 11.278 7.828 -17.662 597 2HG2 ILE 73 2HG2 ILE 73 12.689 8.147 -18.733 598 3HG2 ILE 73 3HG2 ILE 73 12.882 7.076 -17.311 599 1HD1 ILE 73 1HD1 ILE 73 10.099 6.127 -16.638 600 2HD1 ILE 73 2HD1 ILE 73 9.143 5.473 -18.021 601 3HD1 ILE 73 3HD1 ILE 73 9.693 4.376 -16.713 602 H SER 74 H SER 74 12.456 6.429 -22.133 603 HA SER 74 HA SER 74 13.146 9.143 -22.441 604 1HB SER 74 1HB SER 74 13.144 7.005 -24.646 605 2HB SER 74 2HB SER 74 14.095 8.542 -24.627 606 HG SER 74 HG SER 74 14.354 6.209 -23.081 607 H GLU 75 H GLU 75 10.378 7.387 -23.975 608 HA GLU 75 HA GLU 75 9.758 9.471 -25.866 609 1HB GLU 75 1HB GLU 75 9.398 7.024 -26.210 610 2HB GLU 75 2HB GLU 75 8.217 7.003 -24.862 611 1HG GLU 75 1HG GLU 75 6.633 8.392 -26.213 612 2HG GLU 75 2HG GLU 75 7.871 8.541 -27.525 613 H ILE 76 H ILE 76 8.426 8.401 -22.670 614 HA ILE 76 HA ILE 76 6.303 10.309 -22.735 615 HB ILE 76 HB ILE 76 5.430 9.538 -20.748 616 1HG1 ILE 76 1HG1 ILE 76 8.090 8.075 -20.293 617 2HG1 ILE 76 2HG1 ILE 76 7.333 9.334 -19.295 618 1HG2 ILE 76 1HG2 ILE 76 6.419 7.161 -22.456 619 2HG2 ILE 76 2HG2 ILE 76 5.087 8.289 -22.878 620 3HG2 ILE 76 3HG2 ILE 76 4.942 7.235 -21.436 621 1HD1 ILE 76 1HD1 ILE 76 6.249 6.476 -19.695 622 2HD1 ILE 76 2HD1 ILE 76 7.014 7.152 -18.218 623 3HD1 ILE 76 3HD1 ILE 76 5.415 7.780 -18.763 624 H ASP 77 H ASP 77 9.571 10.667 -21.537 625 HA ASP 77 HA ASP 77 8.747 12.691 -19.538 626 1HB ASP 77 1HB ASP 77 10.211 10.585 -19.008 627 2HB ASP 77 2HB ASP 77 11.548 11.445 -19.834 628 H LYS 78 H LYS 78 8.503 14.629 -20.809 629 HA LYS 78 HA LYS 78 10.870 15.589 -22.322 630 1HB LYS 78 1HB LYS 78 8.012 15.289 -23.381 631 2HB LYS 78 2HB LYS 78 9.220 16.360 -24.170 632 1HG LYS 78 1HG LYS 78 10.682 14.531 -24.715 633 2HG LYS 78 2HG LYS 78 9.750 13.368 -23.712 634 1HD LYS 78 1HD LYS 78 7.814 13.512 -25.145 635 2HD LYS 78 2HD LYS 78 8.571 14.783 -26.175 636 1HE LYS 78 1HE LYS 78 10.182 13.243 -27.118 637 2HE LYS 78 2HE LYS 78 9.925 12.035 -25.792 638 1HZ LYS 78 1HZ LYS 78 7.800 11.555 -26.586 639 2HZ LYS 78 2HZ LYS 78 7.843 12.774 -27.781 640 3HZ LYS 78 3HZ LYS 78 8.880 11.429 -27.894 641 H GLU 79 H GLU 79 7.488 16.671 -21.365 642 HA GLU 79 HA GLU 79 8.333 19.440 -21.689 643 1HB GLU 79 1HB GLU 79 5.578 18.399 -20.812 644 2HB GLU 79 2HB GLU 79 5.982 20.023 -21.465 645 1HG GLU 79 1HG GLU 79 6.062 17.327 -22.991 646 2HG GLU 79 2HG GLU 79 4.841 18.635 -23.162 647 H GLY 80 H GLY 80 6.679 17.582 -19.011 648 1HA GLY 80 1HA GLY 80 8.333 19.044 -17.062 649 2HA GLY 80 2HA GLY 80 6.557 18.905 -16.846 650 H THR 81 H THR 81 8.747 16.312 -18.028 651 HA THR 81 HA THR 81 9.279 14.353 -17.351 652 HB THR 81 HB THR 81 9.523 13.487 -15.142 653 HG1 THR 81 HG1 THR 81 8.033 15.770 -14.431 654 1HG2 THR 81 1HG2 THR 81 11.107 15.193 -14.283 655 2HG2 THR 81 2HG2 THR 81 11.228 15.081 -16.073 656 3HG2 THR 81 3HG2 THR 81 10.361 16.468 -15.314 657 H GLY 82 H GLY 82 8.438 12.182 -16.922 658 1HA GLY 82 1HA GLY 82 5.946 12.028 -18.225 659 2HA GLY 82 2HA GLY 82 6.977 10.694 -17.636 660 H LYS 83 H LYS 83 4.008 11.923 -17.611 661 HA LYS 83 HA LYS 83 3.218 10.329 -15.277 662 1HB LYS 83 1HB LYS 83 1.097 11.598 -15.032 663 2HB LYS 83 2HB LYS 83 2.544 12.381 -14.390 664 1HG LYS 83 1HG LYS 83 1.299 13.076 -17.137 665 2HG LYS 83 2HG LYS 83 0.818 13.846 -15.589 666 1HD LYS 83 1HD LYS 83 3.584 14.014 -16.909 667 2HD LYS 83 2HD LYS 83 2.342 15.300 -16.806 668 1HE LYS 83 1HE LYS 83 2.588 15.382 -14.305 669 2HE LYS 83 2HE LYS 83 3.813 14.050 -14.370 670 1HZ LYS 83 1HZ LYS 83 4.883 16.145 -14.241 671 2HZ LYS 83 2HZ LYS 83 5.188 15.432 -15.750 672 3HZ LYS 83 3HZ LYS 83 4.085 16.726 -15.625 673 H MET 84 H MET 84 1.867 8.677 -15.748 674 HA MET 84 HA MET 84 0.885 8.473 -18.533 675 1HB MET 84 1HB MET 84 2.750 6.950 -17.896 676 2HB MET 84 2HB MET 84 1.730 6.249 -16.602 677 1HG MET 84 1HG MET 84 0.154 5.340 -18.216 678 2HG MET 84 2HG MET 84 0.912 6.261 -19.554 679 1HE MET 84 1HE MET 84 3.750 6.079 -19.744 680 2HE MET 84 2HE MET 84 4.042 4.523 -20.587 681 3HE MET 84 3HE MET 84 2.638 5.541 -21.052 682 H ASN 85 H ASN 85 -1.365 8.330 -18.830 683 HA ASN 85 HA ASN 85 -2.954 7.458 -16.483 684 1HB ASN 85 1HB ASN 85 -4.814 8.526 -17.119 685 2HB ASN 85 2HB ASN 85 -3.605 9.653 -17.793 686 1HD2 ASN 85 1HD2 ASN 85 -3.117 9.242 -20.312 687 2HD2 ASN 85 2HD2 ASN 85 -4.543 8.953 -21.247 688 H PHE 86 H PHE 86 -4.989 5.959 -17.225 689 HA PHE 86 HA PHE 86 -3.777 3.550 -18.133 690 1HB PHE 86 1HB PHE 86 -5.779 3.751 -16.560 691 2HB PHE 86 2HB PHE 86 -6.796 4.197 -17.973 692 HD1 PHE 86 HD1 PHE 86 -7.465 2.466 -19.596 693 HD2 PHE 86 HD2 PHE 86 -4.890 1.494 -16.303 694 HE1 PHE 86 HE1 PHE 86 -7.861 0.057 -19.995 695 HE2 PHE 86 HE2 PHE 86 -5.289 -0.913 -16.690 696 HZ PHE 86 HZ PHE 86 -6.775 -1.639 -18.544 697 H GLY 87 H GLY 87 -5.817 5.959 -20.030 698 1HA GLY 87 1HA GLY 87 -6.057 4.400 -22.392 699 2HA GLY 87 2HA GLY 87 -6.048 6.197 -22.248 700 H ASP 88 H ASP 88 -3.373 6.666 -21.346 701 HA ASP 88 HA ASP 88 -1.687 6.348 -23.586 702 1HB ASP 88 1HB ASP 88 -0.794 6.640 -20.648 703 2HB ASP 88 2HB ASP 88 0.233 6.925 -22.101 704 H PHE 89 H PHE 89 -1.621 4.520 -20.385 705 HA PHE 89 HA PHE 89 0.369 2.728 -21.025 706 1HB PHE 89 1HB PHE 89 -0.756 3.161 -18.741 707 2HB PHE 89 2HB PHE 89 -2.053 2.032 -19.252 708 HD1 PHE 89 HD1 PHE 89 1.723 1.628 -19.866 709 HD2 PHE 89 HD2 PHE 89 -1.738 0.405 -17.614 710 HE1 PHE 89 HE1 PHE 89 3.057 -0.084 -18.743 711 HE2 PHE 89 HE2 PHE 89 -0.381 -1.340 -16.508 712 HZ PHE 89 HZ PHE 89 2.021 -1.578 -17.057 713 H LEU 90 H LEU 90 -3.181 2.133 -21.540 714 HA LEU 90 HA LEU 90 -2.904 -0.477 -22.544 715 1HB LEU 90 1HB LEU 90 -5.021 0.836 -21.720 716 2HB LEU 90 2HB LEU 90 -5.110 1.485 -23.382 717 HG LEU 90 HG LEU 90 -5.161 -0.994 -24.181 718 1HD1 LEU 90 1HD1 LEU 90 -5.608 -1.448 -21.155 719 2HD1 LEU 90 2HD1 LEU 90 -5.966 -2.661 -22.427 720 3HD1 LEU 90 3HD1 LEU 90 -4.274 -2.123 -22.166 721 1HD2 LEU 90 1HD2 LEU 90 -7.184 0.450 -24.135 722 2HD2 LEU 90 2HD2 LEU 90 -7.590 -1.248 -23.689 723 3HD2 LEU 90 3HD2 LEU 90 -7.476 0.018 -22.408 724 H THR 91 H THR 91 -3.257 2.653 -24.515 725 HA THR 91 HA THR 91 -2.932 1.346 -27.002 726 HB THR 91 HB THR 91 -2.496 3.557 -28.004 727 HG1 THR 91 HG1 THR 91 -1.429 4.598 -26.378 728 1HG2 THR 91 1HG2 THR 91 -4.748 4.462 -27.450 729 2HG2 THR 91 2HG2 THR 91 -4.820 2.668 -27.577 730 3HG2 THR 91 3HG2 THR 91 -4.830 3.462 -25.958 731 H VAL 92 H VAL 92 -0.355 3.081 -25.012 732 HA VAL 92 HA VAL 92 1.626 2.569 -26.981 733 HB VAL 92 HB VAL 92 1.603 4.442 -25.296 734 1HG1 VAL 92 1HG1 VAL 92 2.669 4.136 -23.134 735 2HG1 VAL 92 2HG1 VAL 92 3.066 2.419 -23.481 736 3HG1 VAL 92 3HG1 VAL 92 1.367 2.894 -23.224 737 1HG2 VAL 92 1HG2 VAL 92 3.444 3.959 -26.921 738 2HG2 VAL 92 2HG2 VAL 92 4.080 4.599 -25.361 739 3HG2 VAL 92 3HG2 VAL 92 4.201 2.840 -25.721 740 H MET 93 H MET 93 0.981 0.700 -23.845 741 HA MET 93 HA MET 93 3.157 -1.083 -24.292 742 1HB MET 93 1HB MET 93 2.135 -0.762 -22.067 743 2HB MET 93 2HB MET 93 0.641 -1.582 -22.629 744 1HG MET 93 1HG MET 93 1.768 -3.700 -22.893 745 2HG MET 93 2HG MET 93 3.386 -2.956 -22.790 746 1HE MET 93 1HE MET 93 3.890 -1.282 -20.624 747 2HE MET 93 2HE MET 93 4.790 -2.820 -20.854 748 3HE MET 93 3HE MET 93 4.213 -2.356 -19.220 749 H THR 94 H THR 94 -0.417 -1.477 -25.376 750 HA THR 94 HA THR 94 0.096 -4.037 -26.480 751 HB THR 94 HB THR 94 -1.831 -3.885 -27.887 752 HG1 THR 94 HG1 THR 94 -2.960 -2.172 -28.132 753 1HG2 THR 94 1HG2 THR 94 -3.494 -3.683 -26.036 754 2HG2 THR 94 2HG2 THR 94 -2.017 -4.545 -25.474 755 3HG2 THR 94 3HG2 THR 94 -2.288 -2.831 -25.003 756 H GLN 95 H GLN 95 0.238 -0.778 -28.243 757 HA GLN 95 HA GLN 95 1.260 -1.801 -30.638 758 1HB GLN 95 1HB GLN 95 0.392 0.536 -30.161 759 2HB GLN 95 2HB GLN 95 1.941 0.894 -29.332 760 1HG GLN 95 1HG GLN 95 3.159 0.492 -31.537 761 2HG GLN 95 2HG GLN 95 1.567 0.143 -32.316 762 1HE2 GLN 95 1HE2 GLN 95 2.409 2.047 -33.698 763 2HE2 GLN 95 2HE2 GLN 95 1.997 3.651 -33.179 764 H LYS 96 H LYS 96 3.280 -0.883 -27.692 765 HA LYS 96 HA LYS 96 5.759 -1.332 -29.071 766 1HB LYS 96 1HB LYS 96 5.117 -0.086 -26.703 767 2HB LYS 96 2HB LYS 96 5.721 -1.633 -26.068 768 1HG LYS 96 1HG LYS 96 7.645 -0.257 -26.098 769 2HG LYS 96 2HG LYS 96 7.810 -1.207 -27.613 770 1HD LYS 96 1HD LYS 96 8.366 1.034 -28.213 771 2HD LYS 96 2HD LYS 96 6.688 0.811 -28.818 772 1HE LYS 96 1HE LYS 96 5.862 1.991 -26.672 773 2HE LYS 96 2HE LYS 96 7.588 2.310 -26.247 774 1HZ LYS 96 1HZ LYS 96 7.753 3.522 -28.393 775 2HZ LYS 96 2HZ LYS 96 6.669 4.213 -27.302 776 3HZ LYS 96 3HZ LYS 96 6.087 3.313 -28.616 777 H MET 97 H MET 97 3.877 -3.559 -26.757 778 HA MET 97 HA MET 97 5.921 -5.604 -27.039 779 1HB MET 97 1HB MET 97 3.211 -5.658 -25.637 780 2HB MET 97 2HB MET 97 4.379 -7.028 -25.653 781 1HG MET 97 1HG MET 97 6.121 -5.524 -24.652 782 2HG MET 97 2HG MET 97 4.900 -4.222 -24.496 783 1HE MET 97 1HE MET 97 5.930 -5.807 -20.924 784 2HE MET 97 2HE MET 97 6.906 -5.876 -22.424 785 3HE MET 97 3HE MET 97 6.057 -4.356 -21.977 786 H SER 98 H SER 98 2.324 -5.703 -28.001 787 HA SER 98 HA SER 98 2.847 -8.082 -29.574 788 1HB SER 98 1HB SER 98 0.370 -7.923 -30.171 789 2HB SER 98 2HB SER 98 0.775 -8.194 -28.436 790 HG SER 98 HG SER 98 0.392 -5.631 -29.533 Start of MODEL 5 1 1H MET 1 1H MET 1 6.543 -17.265 -63.662 2 2H MET 1 2H MET 1 4.938 -17.314 -64.239 3 3H MET 1 3H MET 1 5.251 -17.276 -62.566 4 HA MET 1 HA MET 1 6.020 -15.126 -64.405 5 1HB MET 1 1HB MET 1 3.541 -15.273 -62.569 6 2HB MET 1 2HB MET 1 4.119 -13.796 -63.401 7 1HG MET 1 1HG MET 1 2.354 -14.538 -64.715 8 2HG MET 1 2HG MET 1 3.825 -14.967 -65.632 9 1HE MET 1 1HE MET 1 2.414 -16.390 -67.229 10 2HE MET 1 2HE MET 1 0.935 -15.917 -66.321 11 3HE MET 1 3HE MET 1 1.222 -17.640 -66.739 12 H ALA 2 H ALA 2 7.187 -13.377 -63.361 13 HA ALA 2 HA ALA 2 8.123 -13.879 -60.653 14 1HB ALA 2 1HB ALA 2 9.574 -11.889 -60.984 15 2HB ALA 2 2HB ALA 2 9.742 -13.049 -62.348 16 3HB ALA 2 3HB ALA 2 8.758 -11.555 -62.557 17 H SER 3 H SER 3 6.716 -13.310 -58.956 18 HA SER 3 HA SER 3 5.994 -10.539 -58.601 19 1HB SER 3 1HB SER 3 3.759 -12.641 -58.996 20 2HB SER 3 2HB SER 3 3.493 -11.057 -58.164 21 HG SER 3 HG SER 3 4.711 -11.099 -60.683 22 H ASN 4 H ASN 4 4.718 -13.755 -57.267 23 HA ASN 4 HA ASN 4 5.117 -12.717 -54.561 24 1HB ASN 4 1HB ASN 4 3.943 -15.371 -55.582 25 2HB ASN 4 2HB ASN 4 4.182 -15.002 -53.839 26 1HD2 ASN 4 1HD2 ASN 4 2.253 -14.127 -56.739 27 2HD2 ASN 4 2HD2 ASN 4 1.073 -13.196 -55.881 28 H PHE 5 H PHE 5 7.608 -12.614 -54.860 29 HA PHE 5 HA PHE 5 8.963 -15.183 -54.428 30 1HB PHE 5 1HB PHE 5 10.029 -13.256 -55.752 31 2HB PHE 5 2HB PHE 5 10.176 -12.355 -54.205 32 HD1 PHE 5 HD1 PHE 5 11.106 -15.556 -55.959 33 HD2 PHE 5 HD2 PHE 5 12.044 -12.821 -52.776 34 HE1 PHE 5 HE1 PHE 5 13.252 -16.726 -55.584 35 HE2 PHE 5 HE2 PHE 5 14.185 -13.996 -52.398 36 HZ PHE 5 HZ PHE 5 14.802 -15.942 -53.806 37 H LYS 6 H LYS 6 7.695 -15.778 -52.468 38 HA LYS 6 HA LYS 6 8.410 -14.282 -49.986 39 1HB LYS 6 1HB LYS 6 5.711 -15.354 -50.939 40 2HB LYS 6 2HB LYS 6 6.019 -14.965 -49.208 41 1HG LYS 6 1HG LYS 6 6.112 -12.667 -49.554 42 2HG LYS 6 2HG LYS 6 6.719 -12.817 -51.230 43 1HD LYS 6 1HD LYS 6 4.496 -11.853 -51.233 44 2HD LYS 6 2HD LYS 6 4.538 -13.429 -52.095 45 1HE LYS 6 1HE LYS 6 3.423 -14.563 -50.171 46 2HE LYS 6 2HE LYS 6 3.449 -13.021 -49.218 47 1HZ LYS 6 1HZ LYS 6 1.982 -12.034 -50.745 48 2HZ LYS 6 2HZ LYS 6 2.133 -13.287 -51.878 49 3HZ LYS 6 3HZ LYS 6 1.339 -13.565 -50.394 50 H LYS 7 H LYS 7 10.088 -15.844 -49.486 51 HA LYS 7 HA LYS 7 9.357 -18.676 -49.285 52 1HB LYS 7 1HB LYS 7 12.004 -17.248 -48.706 53 2HB LYS 7 2HB LYS 7 11.735 -19.021 -48.573 54 1HG LYS 7 1HG LYS 7 11.118 -19.111 -50.998 55 2HG LYS 7 2HG LYS 7 11.465 -17.353 -51.157 56 1HD LYS 7 1HD LYS 7 13.830 -17.728 -50.532 57 2HD LYS 7 2HD LYS 7 13.500 -19.475 -50.232 58 1HE LYS 7 1HE LYS 7 12.932 -19.805 -52.659 59 2HE LYS 7 2HE LYS 7 13.250 -18.053 -52.975 60 1HZ LYS 7 1HZ LYS 7 15.526 -18.396 -52.269 61 2HZ LYS 7 2HZ LYS 7 15.115 -19.432 -53.549 62 3HZ LYS 7 3HZ LYS 7 15.224 -20.041 -51.969 63 H ALA 8 H ALA 8 7.839 -18.753 -47.535 64 HA ALA 8 HA ALA 8 8.268 -17.259 -45.143 65 1HB ALA 8 1HB ALA 8 6.149 -18.264 -44.330 66 2HB ALA 8 2HB ALA 8 5.982 -17.656 -46.017 67 3HB ALA 8 3HB ALA 8 6.172 -19.421 -45.715 68 H ASN 9 H ASN 9 9.776 -17.829 -43.619 69 HA ASN 9 HA ASN 9 10.754 -18.867 -41.964 70 1HB ASN 9 1HB ASN 9 8.383 -19.475 -41.283 71 2HB ASN 9 2HB ASN 9 8.667 -21.107 -41.967 72 1HD2 ASN 9 1HD2 ASN 9 10.628 -22.321 -41.008 73 2HD2 ASN 9 2HD2 ASN 9 10.980 -22.095 -39.322 74 H MET 10 H MET 10 12.734 -19.310 -43.112 75 HA MET 10 HA MET 10 13.093 -21.770 -44.576 76 1HB MET 10 1HB MET 10 15.196 -19.763 -43.590 77 2HB MET 10 2HB MET 10 15.473 -21.086 -44.777 78 1HG MET 10 1HG MET 10 13.842 -20.018 -46.343 79 2HG MET 10 2HG MET 10 13.554 -18.704 -45.163 80 1HE MET 10 1HE MET 10 15.405 -16.765 -47.911 81 2HE MET 10 2HE MET 10 14.231 -18.113 -48.097 82 3HE MET 10 3HE MET 10 13.989 -16.881 -46.812 83 H ALA 11 H ALA 11 12.896 -23.645 -43.234 84 HA ALA 11 HA ALA 11 13.905 -23.641 -40.548 85 1HB ALA 11 1HB ALA 11 12.724 -25.961 -42.164 86 2HB ALA 11 2HB ALA 11 12.989 -25.935 -40.380 87 3HB ALA 11 3HB ALA 11 11.799 -24.812 -41.128 88 H SER 12 H SER 12 16.286 -23.253 -41.263 89 HA SER 12 HA SER 12 17.780 -25.642 -41.988 90 1HB SER 12 1HB SER 12 18.457 -23.261 -42.607 91 2HB SER 12 2HB SER 12 18.910 -22.997 -40.887 92 HG SER 12 HG SER 12 20.443 -24.614 -41.116 93 H SER 13 H SER 13 17.610 -23.664 -38.846 94 HA SER 13 HA SER 13 18.817 -25.843 -37.341 95 1HB SER 13 1HB SER 13 18.228 -24.322 -35.340 96 2HB SER 13 2HB SER 13 19.383 -23.650 -36.547 97 HG SER 13 HG SER 13 16.605 -23.143 -36.373 98 H SER 14 H SER 14 17.454 -27.701 -37.295 99 HA SER 14 HA SER 14 14.619 -27.426 -37.305 100 1HB SER 14 1HB SER 14 15.908 -29.286 -38.442 101 2HB SER 14 2HB SER 14 16.182 -30.019 -36.819 102 HG SER 14 HG SER 14 14.371 -30.851 -37.923 103 H GLN 15 H GLN 15 13.693 -26.509 -35.451 104 HA GLN 15 HA GLN 15 13.797 -28.082 -32.953 105 1HB GLN 15 1HB GLN 15 14.203 -25.042 -33.188 106 2HB GLN 15 2HB GLN 15 13.766 -25.846 -31.646 107 1HG GLN 15 1HG GLN 15 16.353 -26.472 -33.222 108 2HG GLN 15 2HG GLN 15 16.221 -25.253 -31.909 109 1HE2 GLN 15 1HE2 GLN 15 16.198 -28.755 -32.637 110 2HE2 GLN 15 2HE2 GLN 15 16.341 -29.285 -30.989 111 H ARG 16 H ARG 16 11.603 -28.781 -32.929 112 HA ARG 16 HA ARG 16 9.457 -26.850 -33.444 113 1HB ARG 16 1HB ARG 16 9.262 -29.289 -34.085 114 2HB ARG 16 2HB ARG 16 9.238 -29.701 -32.340 115 1HG ARG 16 1HG ARG 16 7.142 -28.307 -32.083 116 2HG ARG 16 2HG ARG 16 7.206 -27.926 -33.846 117 1HD ARG 16 1HD ARG 16 6.939 -30.373 -34.387 118 2HD ARG 16 2HD ARG 16 6.905 -30.756 -32.607 119 HE ARG 16 HE ARG 16 4.921 -28.755 -33.162 120 1HH1 ARG 16 1HH1 ARG 16 5.575 -32.221 -33.819 121 2HH1 ARG 16 2HH1 ARG 16 3.923 -32.671 -33.910 122 1HH2 ARG 16 1HH2 ARG 16 2.643 -29.387 -33.293 123 2HH2 ARG 16 2HH2 ARG 16 2.215 -31.018 -33.604 124 H LYS 17 H LYS 17 10.357 -25.342 -31.736 125 HA LYS 17 HA LYS 17 9.311 -25.780 -29.021 126 1HB LYS 17 1HB LYS 17 11.626 -26.822 -29.103 127 2HB LYS 17 2HB LYS 17 12.270 -25.288 -29.755 128 1HG LYS 17 1HG LYS 17 11.662 -24.169 -27.528 129 2HG LYS 17 2HG LYS 17 11.073 -25.771 -26.952 130 1HD LYS 17 1HD LYS 17 13.301 -25.559 -26.089 131 2HD LYS 17 2HD LYS 17 13.392 -26.713 -27.466 132 1HE LYS 17 1HE LYS 17 14.142 -24.629 -28.920 133 2HE LYS 17 2HE LYS 17 14.331 -23.766 -27.344 134 1HZ LYS 17 1HZ LYS 17 15.799 -25.732 -26.727 135 2HZ LYS 17 2HZ LYS 17 16.389 -24.645 -27.891 136 3HZ LYS 17 3HZ LYS 17 15.761 -26.138 -28.387 137 H ARG 18 H ARG 18 7.906 -23.866 -29.500 138 HA ARG 18 HA ARG 18 9.284 -21.299 -29.789 139 1HB ARG 18 1HB ARG 18 8.938 -22.383 -32.099 140 2HB ARG 18 2HB ARG 18 7.175 -22.209 -31.841 141 1HG ARG 18 1HG ARG 18 7.442 -19.718 -31.804 142 2HG ARG 18 2HG ARG 18 9.236 -19.910 -31.867 143 1HD ARG 18 1HD ARG 18 9.014 -21.104 -34.086 144 2HD ARG 18 2HD ARG 18 7.228 -20.766 -34.075 145 HE ARG 18 HE ARG 18 8.419 -18.259 -33.697 146 1HH1 ARG 18 1HH1 ARG 18 8.682 -20.854 -36.168 147 2HH1 ARG 18 2HH1 ARG 18 9.138 -19.810 -37.454 148 1HH2 ARG 18 1HH2 ARG 18 9.005 -16.810 -35.492 149 2HH2 ARG 18 2HH2 ARG 18 9.290 -17.458 -37.056 150 H MET 19 H MET 19 8.083 -19.502 -29.009 151 HA MET 19 HA MET 19 5.248 -19.967 -28.220 152 1HB MET 19 1HB MET 19 6.739 -19.393 -26.282 153 2HB MET 19 2HB MET 19 7.207 -17.875 -27.117 154 1HG MET 19 1HG MET 19 4.820 -17.105 -27.041 155 2HG MET 19 2HG MET 19 4.346 -18.649 -26.262 156 1HE MET 19 1HE MET 19 3.604 -15.762 -25.243 157 2HE MET 19 2HE MET 19 3.097 -17.296 -24.454 158 3HE MET 19 3HE MET 19 3.811 -15.975 -23.471 159 H SER 20 H SER 20 3.921 -19.106 -29.891 160 HA SER 20 HA SER 20 4.997 -17.162 -31.723 161 1HB SER 20 1HB SER 20 2.698 -17.412 -32.842 162 2HB SER 20 2HB SER 20 3.693 -18.908 -32.698 163 HG SER 20 HG SER 20 1.686 -18.094 -30.882 164 HA PRO 21 HA PRO 21 2.863 -13.770 -29.352 165 1HB PRO 21 1HB PRO 21 3.868 -11.541 -30.702 166 2HB PRO 21 2HB PRO 21 4.847 -12.490 -29.519 167 1HG PRO 21 1HG PRO 21 4.805 -12.785 -32.573 168 2HG PRO 21 2HG PRO 21 6.249 -12.602 -31.492 169 1HD PRO 21 1HD PRO 21 5.342 -15.079 -32.375 170 2HD PRO 21 2HD PRO 21 6.031 -14.875 -30.694 171 H LYS 22 H LYS 22 0.887 -12.656 -29.654 172 HA LYS 22 HA LYS 22 -0.218 -12.452 -32.383 173 1HB LYS 22 1HB LYS 22 -1.710 -13.588 -29.943 174 2HB LYS 22 2HB LYS 22 -2.410 -13.329 -31.578 175 1HG LYS 22 1HG LYS 22 -0.831 -15.037 -32.517 176 2HG LYS 22 2HG LYS 22 -0.133 -15.290 -30.879 177 1HD LYS 22 1HD LYS 22 -2.384 -15.984 -30.026 178 2HD LYS 22 2HD LYS 22 -3.055 -15.816 -31.689 179 1HE LYS 22 1HE LYS 22 -1.470 -17.602 -32.509 180 2HE LYS 22 2HE LYS 22 -0.773 -17.747 -30.845 181 1HZ LYS 22 1HZ LYS 22 -2.944 -18.411 -30.054 182 2HZ LYS 22 2HZ LYS 22 -3.598 -18.282 -31.617 183 3HZ LYS 22 3HZ LYS 22 -2.398 -19.438 -31.292 184 HA PRO 23 HA PRO 23 -1.596 -8.365 -30.970 185 1HB PRO 23 1HB PRO 23 -4.351 -9.204 -32.037 186 2HB PRO 23 2HB PRO 23 -3.545 -7.587 -32.213 187 1HG PRO 23 1HG PRO 23 -3.420 -9.357 -34.277 188 2HG PRO 23 2HG PRO 23 -1.905 -8.505 -33.761 189 1HD PRO 23 1HD PRO 23 -2.768 -11.376 -33.111 190 2HD PRO 23 2HD PRO 23 -1.115 -10.726 -33.541 191 H GLU 24 H GLU 24 -2.232 -7.358 -29.161 192 HA GLU 24 HA GLU 24 -2.913 -6.961 -27.178 193 1HB GLU 24 1HB GLU 24 -5.315 -7.398 -27.888 194 2HB GLU 24 2HB GLU 24 -5.153 -8.991 -27.069 195 1HG GLU 24 1HG GLU 24 -4.498 -7.742 -24.925 196 2HG GLU 24 2HG GLU 24 -4.724 -6.188 -25.805 197 H LEU 25 H LEU 25 -1.892 -7.395 -25.300 198 HA LEU 25 HA LEU 25 -0.447 -9.747 -24.682 199 1HB LEU 25 1HB LEU 25 -1.539 -7.284 -23.240 200 2HB LEU 25 2HB LEU 25 -0.826 -8.551 -22.240 201 HG LEU 25 HG LEU 25 1.352 -8.312 -23.234 202 1HD1 LEU 25 1HD1 LEU 25 0.155 -6.335 -25.264 203 2HD1 LEU 25 2HD1 LEU 25 0.918 -7.930 -25.612 204 3HD1 LEU 25 3HD1 LEU 25 1.912 -6.587 -24.956 205 1HD2 LEU 25 1HD2 LEU 25 0.183 -5.503 -22.705 206 2HD2 LEU 25 2HD2 LEU 25 0.691 -6.683 -21.443 207 3HD2 LEU 25 3HD2 LEU 25 1.912 -5.992 -22.573 208 H THR 26 H THR 26 -0.987 -11.646 -23.347 209 HA THR 26 HA THR 26 -3.819 -12.240 -23.362 210 HB THR 26 HB THR 26 -2.972 -14.543 -22.641 211 HG1 THR 26 HG1 THR 26 -0.813 -14.797 -22.478 212 1HG2 THR 26 1HG2 THR 26 -1.573 -13.204 -25.065 213 2HG2 THR 26 2HG2 THR 26 -3.258 -13.837 -25.042 214 3HG2 THR 26 3HG2 THR 26 -1.871 -14.964 -24.827 215 H GLU 27 H GLU 27 -4.070 -14.072 -21.088 216 HA GLU 27 HA GLU 27 -5.180 -12.254 -19.337 217 1HB GLU 27 1HB GLU 27 -5.868 -14.642 -19.683 218 2HB GLU 27 2HB GLU 27 -4.470 -15.163 -18.683 219 1HG GLU 27 1HG GLU 27 -5.432 -13.944 -16.704 220 2HG GLU 27 2HG GLU 27 -6.785 -13.335 -17.730 221 H GLU 28 H GLU 28 -2.032 -14.088 -18.688 222 HA GLU 28 HA GLU 28 -1.466 -12.899 -16.188 223 1HB GLU 28 1HB GLU 28 1.010 -13.395 -16.972 224 2HB GLU 28 2HB GLU 28 -0.130 -14.754 -16.740 225 1HG GLU 28 1HG GLU 28 -0.573 -14.943 -19.166 226 2HG GLU 28 2HG GLU 28 0.463 -13.510 -19.506 227 H GLN 29 H GLN 29 -0.270 -11.752 -19.503 228 HA GLN 29 HA GLN 29 1.068 -9.490 -18.461 229 1HB GLN 29 1HB GLN 29 0.006 -10.115 -21.240 230 2HB GLN 29 2HB GLN 29 1.169 -8.777 -20.875 231 1HG GLN 29 1HG GLN 29 2.897 -10.352 -20.197 232 2HG GLN 29 2HG GLN 29 1.775 -11.753 -20.260 233 1HE2 GLN 29 1HE2 GLN 29 0.955 -12.489 -22.356 234 2HE2 GLN 29 2HE2 GLN 29 1.776 -12.072 -23.825 235 H LYS 30 H LYS 30 -2.276 -9.655 -19.905 236 HA LYS 30 HA LYS 30 -2.944 -6.934 -19.666 237 1HB LYS 30 1HB LYS 30 -4.111 -8.842 -20.919 238 2HB LYS 30 2HB LYS 30 -4.912 -9.265 -19.376 239 1HG LYS 30 1HG LYS 30 -6.048 -7.038 -19.377 240 2HG LYS 30 2HG LYS 30 -5.020 -6.500 -20.756 241 1HD LYS 30 1HD LYS 30 -5.975 -8.347 -22.177 242 2HD LYS 30 2HD LYS 30 -7.109 -8.763 -20.842 243 1HE LYS 30 1HE LYS 30 -8.157 -6.476 -21.023 244 2HE LYS 30 2HE LYS 30 -6.962 -6.030 -22.312 245 1HZ LYS 30 1HZ LYS 30 -9.044 -6.685 -23.248 246 2HZ LYS 30 2HZ LYS 30 -7.843 -7.780 -23.697 247 3HZ LYS 30 3HZ LYS 30 -8.980 -8.217 -22.506 248 H GLN 31 H GLN 31 -3.473 -9.624 -17.225 249 HA GLN 31 HA GLN 31 -4.516 -8.003 -15.153 250 1HB GLN 31 1HB GLN 31 -4.688 -10.431 -15.137 251 2HB GLN 31 2HB GLN 31 -2.916 -10.621 -15.080 252 1HG GLN 31 1HG GLN 31 -4.247 -9.053 -12.800 253 2HG GLN 31 2HG GLN 31 -4.575 -10.816 -12.915 254 1HE2 GLN 31 1HE2 GLN 31 -2.174 -8.451 -11.933 255 2HE2 GLN 31 2HE2 GLN 31 -0.946 -9.588 -11.493 256 H GLU 32 H GLU 32 -0.966 -8.790 -15.866 257 HA GLU 32 HA GLU 32 0.137 -7.407 -13.687 258 1HB GLU 32 1HB GLU 32 1.237 -7.852 -16.503 259 2HB GLU 32 2HB GLU 32 2.189 -7.080 -15.187 260 1HG GLU 32 1HG GLU 32 2.032 -9.078 -13.771 261 2HG GLU 32 2HG GLU 32 1.059 -9.938 -15.014 262 H ILE 33 H ILE 33 -0.632 -5.907 -16.994 263 HA ILE 33 HA ILE 33 0.267 -3.291 -16.240 264 HB ILE 33 HB ILE 33 -1.356 -4.576 -18.410 265 1HG1 ILE 33 1HG1 ILE 33 0.158 -3.071 -19.832 266 2HG1 ILE 33 2HG1 ILE 33 0.976 -2.562 -18.322 267 1HG2 ILE 33 1HG2 ILE 33 -1.604 -1.565 -17.880 268 2HG2 ILE 33 2HG2 ILE 33 -1.962 -2.364 -19.450 269 3HG2 ILE 33 3HG2 ILE 33 -2.932 -2.779 -18.004 270 1HD1 ILE 33 1HD1 ILE 33 0.799 -5.453 -19.420 271 2HD1 ILE 33 2HD1 ILE 33 2.231 -4.366 -19.528 272 3HD1 ILE 33 3HD1 ILE 33 1.672 -4.962 -17.923 273 H ARG 34 H ARG 34 -3.204 -4.717 -15.938 274 HA ARG 34 HA ARG 34 -4.196 -2.318 -14.759 275 1HB ARG 34 1HB ARG 34 -5.683 -4.100 -15.615 276 2HB ARG 34 2HB ARG 34 -5.204 -5.180 -14.267 277 1HG ARG 34 1HG ARG 34 -6.294 -2.392 -13.655 278 2HG ARG 34 2HG ARG 34 -7.445 -3.634 -14.243 279 1HD ARG 34 1HD ARG 34 -7.134 -5.064 -12.310 280 2HD ARG 34 2HD ARG 34 -5.649 -4.198 -11.799 281 HE ARG 34 HE ARG 34 -6.883 -2.458 -10.869 282 1HH1 ARG 34 1HH1 ARG 34 -9.166 -4.634 -12.593 283 2HH1 ARG 34 2HH1 ARG 34 -10.554 -3.996 -11.798 284 1HH2 ARG 34 1HH2 ARG 34 -8.662 -1.624 -9.858 285 2HH2 ARG 34 2HH2 ARG 34 -10.279 -2.191 -10.170 286 H GLU 35 H GLU 35 -2.871 -5.321 -13.018 287 HA GLU 35 HA GLU 35 -3.155 -4.268 -10.433 288 1HB GLU 35 1HB GLU 35 -2.756 -6.627 -11.088 289 2HB GLU 35 2HB GLU 35 -1.050 -6.259 -11.456 290 1HG GLU 35 1HG GLU 35 -2.206 -5.620 -8.664 291 2HG GLU 35 2HG GLU 35 -1.926 -7.339 -9.123 292 H ALA 36 H ALA 36 -0.195 -3.843 -12.641 293 HA ALA 36 HA ALA 36 1.322 -2.376 -10.784 294 1HB ALA 36 1HB ALA 36 2.559 -1.455 -12.755 295 2HB ALA 36 2HB ALA 36 2.271 -3.224 -12.917 296 3HB ALA 36 3HB ALA 36 1.252 -2.068 -13.843 297 H PHE 37 H PHE 37 -0.802 -0.912 -13.420 298 HA PHE 37 HA PHE 37 -0.496 1.761 -12.559 299 1HB PHE 37 1HB PHE 37 -1.511 0.720 -14.765 300 2HB PHE 37 2HB PHE 37 -3.057 0.617 -13.867 301 HD1 PHE 37 HD1 PHE 37 -0.817 2.680 -15.773 302 HD2 PHE 37 HD2 PHE 37 -4.000 2.873 -12.883 303 HE1 PHE 37 HE1 PHE 37 -1.295 5.000 -16.452 304 HE2 PHE 37 HE2 PHE 37 -4.388 5.237 -13.480 305 HZ PHE 37 HZ PHE 37 -3.016 6.300 -15.257 306 H ASP 38 H ASP 38 -3.110 -0.662 -11.568 307 HA ASP 38 HA ASP 38 -4.531 1.088 -9.847 308 1HB ASP 38 1HB ASP 38 -5.175 -1.203 -10.827 309 2HB ASP 38 2HB ASP 38 -4.161 -1.962 -9.559 310 H LEU 39 H LEU 39 -1.564 -1.021 -9.064 311 HA LEU 39 HA LEU 39 -1.485 -0.516 -6.325 312 1HB LEU 39 1HB LEU 39 0.739 -0.965 -8.365 313 2HB LEU 39 2HB LEU 39 1.143 -0.609 -6.658 314 HG LEU 39 HG LEU 39 -0.623 -2.968 -7.495 315 1HD1 LEU 39 1HD1 LEU 39 1.629 -3.238 -8.473 316 2HD1 LEU 39 2HD1 LEU 39 1.413 -4.374 -7.095 317 3HD1 LEU 39 3HD1 LEU 39 2.401 -2.880 -6.879 318 1HD2 LEU 39 1HD2 LEU 39 0.772 -2.301 -4.825 319 2HD2 LEU 39 2HD2 LEU 39 -0.109 -3.827 -5.209 320 3HD2 LEU 39 3HD2 LEU 39 -1.004 -2.269 -5.141 321 H PHE 40 H PHE 40 -0.115 1.588 -8.973 322 HA PHE 40 HA PHE 40 0.672 3.607 -7.017 323 1HB PHE 40 1HB PHE 40 0.767 3.693 -10.076 324 2HB PHE 40 2HB PHE 40 1.419 4.973 -8.964 325 HD1 PHE 40 HD1 PHE 40 2.120 1.765 -10.515 326 HD2 PHE 40 HD2 PHE 40 3.067 4.222 -7.124 327 HE1 PHE 40 HE1 PHE 40 4.057 0.318 -10.014 328 HE2 PHE 40 HE2 PHE 40 5.034 2.803 -6.648 329 HZ PHE 40 HZ PHE 40 5.524 0.833 -8.081 330 H ASP 41 H ASP 41 -2.051 3.395 -9.493 331 HA ASP 41 HA ASP 41 -3.280 5.802 -8.377 332 1HB ASP 41 1HB ASP 41 -3.281 5.049 -10.866 333 2HB ASP 41 2HB ASP 41 -4.481 3.808 -10.400 334 H ALA 42 H ALA 42 -3.393 4.834 -6.089 335 HA ALA 42 HA ALA 42 -4.738 2.377 -5.638 336 1HB ALA 42 1HB ALA 42 -4.107 4.594 -3.605 337 2HB ALA 42 2HB ALA 42 -4.514 2.880 -3.213 338 3HB ALA 42 3HB ALA 42 -2.998 3.262 -4.102 339 H ASP 43 H ASP 43 -6.003 5.746 -4.938 340 HA ASP 43 HA ASP 43 -8.531 4.676 -3.973 341 1HB ASP 43 1HB ASP 43 -7.605 7.572 -4.423 342 2HB ASP 43 2HB ASP 43 -9.152 7.097 -3.628 343 H GLY 44 H GLY 44 -7.495 5.528 -7.221 344 1HA GLY 44 1HA GLY 44 -8.827 5.432 -9.098 345 2HA GLY 44 2HA GLY 44 -10.279 5.872 -8.132 346 H THR 45 H THR 45 -7.288 7.099 -9.668 347 HA THR 45 HA THR 45 -8.250 9.891 -9.286 348 HB THR 45 HB THR 45 -5.556 10.276 -9.580 349 HG1 THR 45 HG1 THR 45 -5.151 8.013 -9.407 350 1HG2 THR 45 1HG2 THR 45 -5.622 10.654 -7.103 351 2HG2 THR 45 2HG2 THR 45 -7.111 11.288 -7.894 352 3HG2 THR 45 3HG2 THR 45 -7.166 9.726 -6.992 353 H GLY 46 H GLY 46 -5.859 8.193 -11.536 354 1HA GLY 46 1HA GLY 46 -6.926 8.606 -13.932 355 2HA GLY 46 2HA GLY 46 -6.415 10.280 -13.493 356 H THR 47 H THR 47 -3.998 10.472 -12.742 357 HA THR 47 HA THR 47 -2.442 8.981 -14.750 358 HB THR 47 HB THR 47 -0.804 10.864 -14.670 359 HG1 THR 47 HG1 THR 47 -1.179 11.908 -12.858 360 1HG2 THR 47 1HG2 THR 47 -3.736 11.567 -15.406 361 2HG2 THR 47 2HG2 THR 47 -2.249 12.364 -16.041 362 3HG2 THR 47 3HG2 THR 47 -2.579 10.640 -16.433 363 H ILE 48 H ILE 48 -0.592 7.951 -14.351 364 HA ILE 48 HA ILE 48 0.510 7.859 -11.580 365 HB ILE 48 HB ILE 48 -0.067 5.602 -12.375 366 1HG1 ILE 48 1HG1 ILE 48 2.960 6.207 -12.487 367 2HG1 ILE 48 2HG1 ILE 48 1.967 5.766 -11.062 368 1HG2 ILE 48 1HG2 ILE 48 -0.044 6.197 -14.878 369 2HG2 ILE 48 2HG2 ILE 48 1.743 6.025 -14.839 370 3HG2 ILE 48 3HG2 ILE 48 0.693 4.626 -14.450 371 1HD1 ILE 48 1HD1 ILE 48 1.539 3.491 -12.193 372 2HD1 ILE 48 2HD1 ILE 48 2.694 3.976 -13.490 373 3HD1 ILE 48 3HD1 ILE 48 3.270 3.813 -11.800 374 H ASP 49 H ASP 49 2.361 9.081 -11.400 375 HA ASP 49 HA ASP 49 3.377 10.344 -13.885 376 1HB ASP 49 1HB ASP 49 3.574 11.240 -10.967 377 2HB ASP 49 2HB ASP 49 4.398 12.079 -12.335 378 H VAL 50 H VAL 50 5.667 10.973 -13.980 379 HA VAL 50 HA VAL 50 7.166 8.888 -14.475 380 HB VAL 50 HB VAL 50 7.564 11.093 -15.297 381 1HG1 VAL 50 1HG1 VAL 50 8.938 11.724 -12.603 382 2HG1 VAL 50 2HG1 VAL 50 7.349 12.379 -13.161 383 3HG1 VAL 50 3HG1 VAL 50 8.855 12.781 -14.055 384 1HG2 VAL 50 1HG2 VAL 50 10.141 9.867 -14.125 385 2HG2 VAL 50 2HG2 VAL 50 9.994 10.956 -15.550 386 3HG2 VAL 50 3HG2 VAL 50 9.278 9.303 -15.607 387 H LYS 51 H LYS 51 7.525 10.326 -11.142 388 HA LYS 51 HA LYS 51 9.632 8.681 -10.228 389 1HB LYS 51 1HB LYS 51 7.170 9.646 -8.651 390 2HB LYS 51 2HB LYS 51 8.733 9.109 -7.942 391 1HG LYS 51 1HG LYS 51 9.882 11.068 -8.951 392 2HG LYS 51 2HG LYS 51 8.374 11.553 -9.802 393 1HD LYS 51 1HD LYS 51 7.210 11.806 -7.596 394 2HD LYS 51 2HD LYS 51 8.769 11.473 -6.756 395 1HE LYS 51 1HE LYS 51 9.791 13.510 -7.817 396 2HE LYS 51 2HE LYS 51 8.264 13.807 -8.744 397 1HZ LYS 51 1HZ LYS 51 7.112 14.098 -6.658 398 2HZ LYS 51 2HZ LYS 51 8.539 13.827 -5.780 399 3HZ LYS 51 3HZ LYS 51 8.412 15.176 -6.799 400 H GLU 52 H GLU 52 6.056 8.115 -9.748 401 HA GLU 52 HA GLU 52 6.095 5.458 -8.844 402 1HB GLU 52 1HB GLU 52 4.033 6.950 -10.545 403 2HB GLU 52 2HB GLU 52 3.700 5.483 -9.564 404 1HG GLU 52 1HG GLU 52 4.059 6.726 -7.472 405 2HG GLU 52 2HG GLU 52 4.638 8.187 -8.358 406 H LEU 53 H LEU 53 5.700 6.687 -12.322 407 HA LEU 53 HA LEU 53 5.531 4.179 -13.553 408 1HB LEU 53 1HB LEU 53 5.700 6.893 -14.337 409 2HB LEU 53 2HB LEU 53 7.058 6.129 -15.200 410 HG LEU 53 HG LEU 53 4.104 5.250 -15.258 411 1HD1 LEU 53 1HD1 LEU 53 4.478 7.431 -16.372 412 2HD1 LEU 53 2HD1 LEU 53 4.116 6.149 -17.585 413 3HD1 LEU 53 3HD1 LEU 53 5.808 6.725 -17.368 414 1HD2 LEU 53 1HD2 LEU 53 4.732 3.774 -17.176 415 2HD2 LEU 53 2HD2 LEU 53 6.470 4.176 -16.930 416 3HD2 LEU 53 3HD2 LEU 53 5.561 3.270 -15.664 417 H LYS 54 H LYS 54 8.593 5.950 -12.701 418 HA LYS 54 HA LYS 54 10.408 4.155 -13.865 419 1HB LYS 54 1HB LYS 54 10.826 6.495 -12.900 420 2HB LYS 54 2HB LYS 54 10.954 5.719 -11.292 421 1HG LYS 54 1HG LYS 54 12.875 4.314 -12.191 422 2HG LYS 54 2HG LYS 54 12.619 5.063 -13.806 423 1HD LYS 54 1HD LYS 54 13.052 7.358 -12.695 424 2HD LYS 54 2HD LYS 54 13.513 6.468 -11.210 425 1HE LYS 54 1HE LYS 54 15.553 7.091 -12.452 426 2HE LYS 54 2HE LYS 54 15.362 5.293 -12.533 427 1HZ LYS 54 1HZ LYS 54 14.576 7.243 -14.645 428 2HZ LYS 54 2HZ LYS 54 14.419 5.556 -14.734 429 3HZ LYS 54 3HZ LYS 54 15.960 6.263 -14.645 430 H VAL 55 H VAL 55 9.256 4.111 -10.344 431 HA VAL 55 HA VAL 55 10.504 1.579 -9.832 432 HB VAL 55 HB VAL 55 9.063 1.380 -7.830 433 1HG1 VAL 55 1HG1 VAL 55 10.585 4.047 -8.251 434 2HG1 VAL 55 2HG1 VAL 55 11.331 2.452 -7.852 435 3HG1 VAL 55 3HG1 VAL 55 10.230 3.254 -6.674 436 1HG2 VAL 55 1HG2 VAL 55 8.041 4.170 -8.715 437 2HG2 VAL 55 2HG2 VAL 55 7.063 2.661 -8.726 438 3HG2 VAL 55 3HG2 VAL 55 7.671 3.328 -7.173 439 H ALA 56 H ALA 56 7.248 2.362 -11.194 440 HA ALA 56 HA ALA 56 6.237 -0.265 -11.275 441 1HB ALA 56 1HB ALA 56 4.753 0.469 -13.097 442 2HB ALA 56 2HB ALA 56 5.789 1.909 -13.403 443 3HB ALA 56 3HB ALA 56 4.870 1.778 -11.867 444 H MET 57 H MET 57 8.259 1.442 -13.797 445 HA MET 57 HA MET 57 8.605 -0.722 -15.569 446 1HB MET 57 1HB MET 57 9.116 1.527 -16.214 447 2HB MET 57 2HB MET 57 10.224 1.772 -14.840 448 1HG MET 57 1HG MET 57 10.948 -0.325 -16.933 449 2HG MET 57 2HG MET 57 11.044 1.408 -17.359 450 1HE MET 57 1HE MET 57 13.387 1.501 -17.993 451 2HE MET 57 2HE MET 57 14.752 0.747 -17.100 452 3HE MET 57 3HE MET 57 13.449 -0.281 -17.782 453 H ARG 58 H ARG 58 10.464 -0.047 -12.489 454 HA ARG 58 HA ARG 58 12.486 -2.014 -12.862 455 1HB ARG 58 1HB ARG 58 11.142 -1.188 -10.228 456 2HB ARG 58 2HB ARG 58 12.631 -2.182 -10.371 457 1HG ARG 58 1HG ARG 58 13.828 -0.279 -11.433 458 2HG ARG 58 2HG ARG 58 12.334 0.721 -11.327 459 1HD ARG 58 1HD ARG 58 12.349 0.421 -8.796 460 2HD ARG 58 2HD ARG 58 13.943 -0.444 -8.948 461 HE ARG 58 HE ARG 58 14.157 2.044 -10.331 462 1HH1 ARG 58 1HH1 ARG 58 13.692 0.849 -6.981 463 2HH1 ARG 58 2HH1 ARG 58 14.434 2.200 -6.228 464 1HH2 ARG 58 1HH2 ARG 58 15.194 3.905 -9.283 465 2HH2 ARG 58 2HH2 ARG 58 15.308 3.980 -7.573 466 H ALA 59 H ALA 59 9.290 -2.424 -10.962 467 HA ALA 59 HA ALA 59 9.512 -5.253 -10.843 468 1HB ALA 59 1HB ALA 59 6.985 -3.510 -10.694 469 2HB ALA 59 2HB ALA 59 8.049 -3.949 -9.309 470 3HB ALA 59 3HB ALA 59 7.115 -5.229 -10.159 471 H LEU 60 H LEU 60 7.487 -3.285 -13.235 472 HA LEU 60 HA LEU 60 6.405 -5.649 -14.443 473 1HB LEU 60 1HB LEU 60 5.226 -3.440 -14.258 474 2HB LEU 60 2HB LEU 60 6.410 -2.730 -15.398 475 HG LEU 60 HG LEU 60 5.587 -4.241 -17.209 476 1HD1 LEU 60 1HD1 LEU 60 3.489 -5.193 -15.152 477 2HD1 LEU 60 2HD1 LEU 60 4.804 -6.199 -15.873 478 3HD1 LEU 60 3HD1 LEU 60 3.493 -5.571 -16.916 479 1HD2 LEU 60 1HD2 LEU 60 4.613 -1.963 -16.899 480 2HD2 LEU 60 2HD2 LEU 60 3.332 -2.649 -15.828 481 3HD2 LEU 60 3HD2 LEU 60 3.410 -3.121 -17.567 482 H GLY 61 H GLY 61 9.157 -3.473 -15.496 483 1HA GLY 61 1HA GLY 61 9.504 -4.628 -18.055 484 2HA GLY 61 2HA GLY 61 10.725 -3.790 -17.048 485 H PHE 62 H PHE 62 10.858 -5.769 -14.877 486 HA PHE 62 HA PHE 62 11.732 -7.664 -14.223 487 1HB PHE 62 1HB PHE 62 10.784 -8.911 -16.873 488 2HB PHE 62 2HB PHE 62 11.410 -9.834 -15.464 489 HD1 PHE 62 HD1 PHE 62 10.212 -9.412 -13.162 490 HD2 PHE 62 HD2 PHE 62 8.465 -8.600 -17.008 491 HE1 PHE 62 HE1 PHE 62 7.949 -9.634 -12.189 492 HE2 PHE 62 HE2 PHE 62 6.208 -8.822 -16.028 493 HZ PHE 62 HZ PHE 62 5.941 -9.346 -13.626 494 H GLU 63 H GLU 63 13.955 -8.011 -13.941 495 HA GLU 63 HA GLU 63 15.695 -7.105 -15.911 496 1HB GLU 63 1HB GLU 63 16.164 -8.671 -13.354 497 2HB GLU 63 2HB GLU 63 17.536 -8.134 -14.376 498 1HG GLU 63 1HG GLU 63 17.191 -6.566 -12.542 499 2HG GLU 63 2HG GLU 63 16.947 -5.778 -14.142 500 HA PRO 64 HA PRO 64 17.069 -11.734 -17.165 501 1HB PRO 64 1HB PRO 64 14.392 -11.805 -18.669 502 2HB PRO 64 2HB PRO 64 15.509 -13.201 -18.355 503 1HG PRO 64 1HG PRO 64 13.408 -12.805 -16.672 504 2HG PRO 64 2HG PRO 64 15.047 -13.114 -15.961 505 1HD PRO 64 1HD PRO 64 13.583 -10.455 -16.272 506 2HD PRO 64 2HD PRO 64 14.597 -11.036 -14.871 507 H LYS 65 H LYS 65 15.339 -9.319 -19.209 508 HA LYS 65 HA LYS 65 17.736 -9.074 -20.920 509 1HB LYS 65 1HB LYS 65 14.836 -9.434 -21.881 510 2HB LYS 65 2HB LYS 65 16.151 -8.798 -22.938 511 1HG LYS 65 1HG LYS 65 17.361 -10.879 -22.870 512 2HG LYS 65 2HG LYS 65 16.373 -11.518 -21.523 513 1HD LYS 65 1HD LYS 65 15.868 -12.654 -23.596 514 2HD LYS 65 2HD LYS 65 14.419 -11.839 -22.938 515 1HE LYS 65 1HE LYS 65 16.155 -10.529 -25.141 516 2HE LYS 65 2HE LYS 65 14.887 -11.754 -25.546 517 1HZ LYS 65 1HZ LYS 65 14.236 -9.399 -23.883 518 2HZ LYS 65 2HZ LYS 65 14.335 -9.261 -25.534 519 3HZ LYS 65 3HZ LYS 65 13.212 -10.358 -24.845 520 H LYS 66 H LYS 66 14.351 -7.656 -20.582 521 HA LYS 66 HA LYS 66 13.602 -5.674 -20.127 522 1HB LYS 66 1HB LYS 66 15.358 -6.039 -18.189 523 2HB LYS 66 2HB LYS 66 16.183 -4.639 -18.937 524 1HG LYS 66 1HG LYS 66 13.883 -3.401 -18.717 525 2HG LYS 66 2HG LYS 66 13.335 -4.833 -17.775 526 1HD LYS 66 1HD LYS 66 15.381 -4.401 -16.211 527 2HD LYS 66 2HD LYS 66 15.623 -2.876 -17.124 528 1HE LYS 66 1HE LYS 66 14.385 -2.243 -15.153 529 2HE LYS 66 2HE LYS 66 13.159 -2.262 -16.485 530 1HZ LYS 66 1HZ LYS 66 13.650 -4.274 -14.354 531 2HZ LYS 66 2HZ LYS 66 12.691 -4.610 -15.720 532 3HZ LYS 66 3HZ LYS 66 12.233 -3.364 -14.657 533 H GLU 67 H GLU 67 14.480 -5.778 -22.888 534 HA GLU 67 HA GLU 67 15.497 -3.106 -23.458 535 1HB GLU 67 1HB GLU 67 15.381 -3.617 -25.793 536 2HB GLU 67 2HB GLU 67 16.229 -4.940 -24.950 537 1HG GLU 67 1HG GLU 67 13.210 -5.173 -25.613 538 2HG GLU 67 2HG GLU 67 14.472 -5.433 -26.857 539 H GLU 68 H GLU 68 14.238 -1.798 -25.201 540 HA GLU 68 HA GLU 68 12.645 -0.514 -25.817 541 1HB GLU 68 1HB GLU 68 10.438 -0.951 -26.306 542 2HB GLU 68 2HB GLU 68 11.399 -2.410 -26.712 543 1HG GLU 68 1HG GLU 68 10.470 -3.620 -24.765 544 2HG GLU 68 2HG GLU 68 9.698 -2.108 -24.148 545 H ILE 69 H ILE 69 11.982 -1.738 -22.559 546 HA ILE 69 HA ILE 69 10.342 0.356 -21.720 547 HB ILE 69 HB ILE 69 11.950 -0.788 -19.506 548 1HG1 ILE 69 1HG1 ILE 69 11.928 -2.772 -21.050 549 2HG1 ILE 69 2HG1 ILE 69 11.103 -2.973 -19.491 550 1HG2 ILE 69 1HG2 ILE 69 9.918 0.638 -19.212 551 2HG2 ILE 69 2HG2 ILE 69 9.613 -1.031 -18.594 552 3HG2 ILE 69 3HG2 ILE 69 8.933 -0.512 -20.177 553 1HD1 ILE 69 1HD1 ILE 69 9.867 -4.026 -21.435 554 2HD1 ILE 69 2HD1 ILE 69 9.552 -2.378 -22.086 555 3HD1 ILE 69 3HD1 ILE 69 8.881 -2.858 -20.488 556 H LYS 70 H LYS 70 13.955 0.301 -21.647 557 HA LYS 70 HA LYS 70 14.323 2.681 -20.134 558 1HB LYS 70 1HB LYS 70 16.122 1.034 -20.744 559 2HB LYS 70 2HB LYS 70 16.013 1.572 -22.451 560 1HG LYS 70 1HG LYS 70 16.766 3.871 -21.760 561 2HG LYS 70 2HG LYS 70 16.830 3.328 -20.046 562 1HD LYS 70 1HD LYS 70 18.558 1.624 -20.653 563 2HD LYS 70 2HD LYS 70 18.475 2.151 -22.373 564 1HE LYS 70 1HE LYS 70 19.293 4.446 -21.716 565 2HE LYS 70 2HE LYS 70 19.383 3.914 -19.986 566 1HZ LYS 70 1HZ LYS 70 20.912 2.753 -22.263 567 2HZ LYS 70 2HZ LYS 70 20.997 2.251 -20.643 568 3HZ LYS 70 3HZ LYS 70 21.506 3.810 -21.076 569 H LYS 71 H LYS 71 13.775 2.236 -23.713 570 HA LYS 71 HA LYS 71 13.847 5.015 -24.377 571 1HB LYS 71 1HB LYS 71 13.983 2.769 -25.843 572 2HB LYS 71 2HB LYS 71 12.221 3.005 -25.994 573 1HG LYS 71 1HG LYS 71 14.486 4.950 -26.820 574 2HG LYS 71 2HG LYS 71 13.517 3.897 -27.905 575 1HD LYS 71 1HD LYS 71 11.435 5.206 -27.195 576 2HD LYS 71 2HD LYS 71 12.534 6.346 -26.332 577 1HE LYS 71 1HE LYS 71 13.721 6.824 -28.530 578 2HE LYS 71 2HE LYS 71 12.540 5.735 -29.367 579 1HZ LYS 71 1HZ LYS 71 11.944 8.260 -27.911 580 2HZ LYS 71 2HZ LYS 71 11.815 7.958 -29.577 581 3HZ LYS 71 3HZ LYS 71 10.758 7.185 -28.484 582 H MET 72 H MET 72 10.944 2.790 -23.559 583 HA MET 72 HA MET 72 8.967 4.752 -23.973 584 1HB MET 72 1HB MET 72 9.011 2.547 -21.839 585 2HB MET 72 2HB MET 72 7.558 3.499 -22.298 586 1HG MET 72 1HG MET 72 9.106 1.587 -24.157 587 2HG MET 72 2HG MET 72 7.599 1.237 -23.278 588 1HE MET 72 1HE MET 72 9.231 3.746 -26.010 589 2HE MET 72 2HE MET 72 9.090 2.038 -26.554 590 3HE MET 72 3HE MET 72 8.106 3.321 -27.336 591 H ILE 73 H ILE 73 10.823 4.232 -20.746 592 HA ILE 73 HA ILE 73 9.583 6.457 -19.464 593 HB ILE 73 HB ILE 73 12.347 5.281 -18.999 594 1HG1 ILE 73 1HG1 ILE 73 10.546 3.574 -18.769 595 2HG1 ILE 73 2HG1 ILE 73 11.337 3.964 -17.217 596 1HG2 ILE 73 1HG2 ILE 73 12.045 6.264 -16.658 597 2HG2 ILE 73 2HG2 ILE 73 12.256 7.503 -17.940 598 3HG2 ILE 73 3HG2 ILE 73 10.616 7.177 -17.269 599 1HD1 ILE 73 1HD1 ILE 73 8.566 5.012 -18.112 600 2HD1 ILE 73 2HD1 ILE 73 8.885 3.700 -16.929 601 3HD1 ILE 73 3HD1 ILE 73 9.372 5.382 -16.540 602 H SER 74 H SER 74 12.651 6.431 -21.512 603 HA SER 74 HA SER 74 13.166 9.205 -21.082 604 1HB SER 74 1HB SER 74 14.785 7.322 -21.808 605 2HB SER 74 2HB SER 74 14.128 7.529 -23.470 606 HG SER 74 HG SER 74 16.003 8.742 -23.100 607 H GLU 75 H GLU 75 11.021 7.652 -23.472 608 HA GLU 75 HA GLU 75 10.718 9.961 -25.194 609 1HB GLU 75 1HB GLU 75 10.470 7.565 -25.934 610 2HB GLU 75 2HB GLU 75 9.049 7.392 -24.863 611 1HG GLU 75 1HG GLU 75 7.784 9.061 -26.236 612 2HG GLU 75 2HG GLU 75 9.232 9.328 -27.277 613 H ILE 76 H ILE 76 9.014 8.569 -22.360 614 HA ILE 76 HA ILE 76 6.613 9.938 -22.846 615 HB ILE 76 HB ILE 76 5.670 9.225 -20.725 616 1HG1 ILE 76 1HG1 ILE 76 6.963 7.170 -19.731 617 2HG1 ILE 76 2HG1 ILE 76 8.430 8.004 -20.333 618 1HG2 ILE 76 1HG2 ILE 76 5.479 6.864 -21.526 619 2HG2 ILE 76 2HG2 ILE 76 5.258 8.104 -22.811 620 3HG2 ILE 76 3HG2 ILE 76 6.788 7.178 -22.724 621 1HD1 ILE 76 1HD1 ILE 76 6.359 9.234 -18.392 622 2HD1 ILE 76 2HD1 ILE 76 7.917 8.471 -17.903 623 3HD1 ILE 76 3HD1 ILE 76 7.929 9.975 -18.882 624 H ASP 77 H ASP 77 9.395 11.253 -21.185 625 HA ASP 77 HA ASP 77 7.895 13.295 -19.748 626 1HB ASP 77 1HB ASP 77 10.294 12.353 -19.216 627 2HB ASP 77 2HB ASP 77 10.878 13.443 -20.517 628 H LYS 78 H LYS 78 6.653 14.735 -21.077 629 HA LYS 78 HA LYS 78 7.883 15.663 -23.636 630 1HB LYS 78 1HB LYS 78 5.109 14.569 -23.013 631 2HB LYS 78 2HB LYS 78 5.385 15.567 -24.481 632 1HG LYS 78 1HG LYS 78 6.475 13.947 -25.618 633 2HG LYS 78 2HG LYS 78 7.387 13.393 -24.185 634 1HD LYS 78 1HD LYS 78 6.060 11.611 -25.061 635 2HD LYS 78 2HD LYS 78 5.534 12.002 -23.403 636 1HE LYS 78 1HE LYS 78 3.974 13.169 -25.802 637 2HE LYS 78 2HE LYS 78 3.815 11.420 -25.376 638 1HZ LYS 78 1HZ LYS 78 3.408 12.352 -23.014 639 2HZ LYS 78 2HZ LYS 78 2.955 13.780 -23.835 640 3HZ LYS 78 3HZ LYS 78 2.176 12.322 -24.179 641 H GLU 79 H GLU 79 4.775 16.573 -21.879 642 HA GLU 79 HA GLU 79 5.123 19.262 -22.980 643 1HB GLU 79 1HB GLU 79 2.592 18.440 -21.480 644 2HB GLU 79 2HB GLU 79 2.847 19.636 -22.775 645 1HG GLU 79 1HG GLU 79 1.672 17.897 -23.843 646 2HG GLU 79 2HG GLU 79 3.378 17.586 -24.332 647 H GLY 80 H GLY 80 4.047 17.876 -19.804 648 1HA GLY 80 1HA GLY 80 5.483 20.073 -18.418 649 2HA GLY 80 2HA GLY 80 3.867 19.476 -17.899 650 H THR 81 H THR 81 6.892 17.839 -18.968 651 HA THR 81 HA THR 81 8.022 16.152 -18.270 652 HB THR 81 HB THR 81 8.550 15.559 -15.996 653 HG1 THR 81 HG1 THR 81 6.294 17.134 -15.462 654 1HG2 THR 81 1HG2 THR 81 8.355 18.622 -16.412 655 2HG2 THR 81 2HG2 THR 81 9.624 17.537 -17.101 656 3HG2 THR 81 3HG2 THR 81 9.487 17.745 -15.318 657 H GLY 82 H GLY 82 7.846 13.844 -17.003 658 1HA GLY 82 1HA GLY 82 5.926 12.543 -18.583 659 2HA GLY 82 2HA GLY 82 7.025 11.817 -17.368 660 H LYS 83 H LYS 83 3.918 12.134 -18.324 661 HA LYS 83 HA LYS 83 2.817 11.111 -15.816 662 1HB LYS 83 1HB LYS 83 0.802 12.697 -16.058 663 2HB LYS 83 2HB LYS 83 2.324 13.448 -15.488 664 1HG LYS 83 1HG LYS 83 2.851 14.229 -17.810 665 2HG LYS 83 2HG LYS 83 1.299 13.533 -18.389 666 1HD LYS 83 1HD LYS 83 0.039 15.185 -17.059 667 2HD LYS 83 2HD LYS 83 1.550 15.735 -16.251 668 1HE LYS 83 1HE LYS 83 0.872 17.325 -18.106 669 2HE LYS 83 2HE LYS 83 2.487 16.557 -18.396 670 1HZ LYS 83 1HZ LYS 83 0.036 16.315 -19.898 671 2HZ LYS 83 2HZ LYS 83 1.659 16.059 -20.371 672 3HZ LYS 83 3HZ LYS 83 0.803 14.836 -19.578 673 H MET 84 H MET 84 1.501 9.375 -16.260 674 HA MET 84 HA MET 84 0.477 9.080 -19.026 675 1HB MET 84 1HB MET 84 2.526 7.679 -18.170 676 2HB MET 84 2HB MET 84 1.299 6.684 -17.328 677 1HG MET 84 1HG MET 84 0.284 6.064 -19.479 678 2HG MET 84 2HG MET 84 1.147 7.391 -20.319 679 1HE MET 84 1HE MET 84 3.020 4.707 -22.222 680 2HE MET 84 2HE MET 84 1.268 4.883 -21.883 681 3HE MET 84 3HE MET 84 2.265 6.337 -22.224 682 H ASN 85 H ASN 85 -1.758 8.588 -19.243 683 HA ASN 85 HA ASN 85 -3.255 7.894 -16.758 684 1HB ASN 85 1HB ASN 85 -4.140 9.822 -18.092 685 2HB ASN 85 2HB ASN 85 -4.108 8.821 -19.574 686 1HD2 ASN 85 1HD2 ASN 85 -5.599 8.648 -16.216 687 2HD2 ASN 85 2HD2 ASN 85 -7.174 8.211 -16.795 688 H PHE 86 H PHE 86 -5.109 6.145 -17.295 689 HA PHE 86 HA PHE 86 -3.716 3.765 -17.947 690 1HB PHE 86 1HB PHE 86 -5.663 4.135 -16.277 691 2HB PHE 86 2HB PHE 86 -6.778 4.089 -17.683 692 HD1 PHE 86 HD1 PHE 86 -3.777 2.036 -16.535 693 HD2 PHE 86 HD2 PHE 86 -7.921 2.052 -17.674 694 HE1 PHE 86 HE1 PHE 86 -3.903 -0.382 -16.091 695 HE2 PHE 86 HE2 PHE 86 -8.041 -0.380 -17.250 696 HZ PHE 86 HZ PHE 86 -6.039 -1.601 -16.439 697 H GLY 87 H GLY 87 -6.059 5.695 -19.962 698 1HA GLY 87 1HA GLY 87 -6.338 3.826 -22.092 699 2HA GLY 87 2HA GLY 87 -6.491 5.623 -22.165 700 H ASP 88 H ASP 88 -3.826 6.463 -21.558 701 HA ASP 88 HA ASP 88 -2.260 5.953 -23.849 702 1HB ASP 88 1HB ASP 88 -1.186 6.744 -21.065 703 2HB ASP 88 2HB ASP 88 -0.361 6.990 -22.646 704 H PHE 89 H PHE 89 -1.925 4.589 -20.454 705 HA PHE 89 HA PHE 89 0.272 3.000 -20.815 706 1HB PHE 89 1HB PHE 89 -1.142 3.598 -18.682 707 2HB PHE 89 2HB PHE 89 -2.095 2.123 -19.046 708 HD1 PHE 89 HD1 PHE 89 -1.472 0.491 -17.518 709 HD2 PHE 89 HD2 PHE 89 1.617 3.043 -19.053 710 HE1 PHE 89 HE1 PHE 89 0.216 -0.723 -16.165 711 HE2 PHE 89 HE2 PHE 89 3.284 1.860 -17.683 712 HZ PHE 89 HZ PHE 89 2.591 -0.035 -16.238 713 H LEU 90 H LEU 90 -3.141 1.864 -21.452 714 HA LEU 90 HA LEU 90 -2.211 -0.763 -22.278 715 1HB LEU 90 1HB LEU 90 -4.953 0.581 -22.310 716 2HB LEU 90 2HB LEU 90 -4.663 -0.959 -23.183 717 HG LEU 90 HG LEU 90 -3.851 -2.035 -21.091 718 1HD1 LEU 90 1HD1 LEU 90 -4.997 0.452 -19.662 719 2HD1 LEU 90 2HD1 LEU 90 -4.509 -1.099 -18.888 720 3HD1 LEU 90 3HD1 LEU 90 -3.269 -0.069 -19.672 721 1HD2 LEU 90 1HD2 LEU 90 -6.131 -2.437 -20.186 722 2HD2 LEU 90 2HD2 LEU 90 -6.141 -2.387 -21.988 723 3HD2 LEU 90 3HD2 LEU 90 -6.747 -0.974 -21.041 724 H THR 91 H THR 91 -3.444 2.172 -24.216 725 HA THR 91 HA THR 91 -3.175 0.857 -26.705 726 HB THR 91 HB THR 91 -3.074 3.055 -27.793 727 HG1 THR 91 HG1 THR 91 -3.197 4.871 -26.546 728 1HG2 THR 91 1HG2 THR 91 -5.368 3.740 -27.069 729 2HG2 THR 91 2HG2 THR 91 -5.217 2.768 -25.561 730 3HG2 THR 91 3HG2 THR 91 -5.243 1.948 -27.164 731 H VAL 92 H VAL 92 -0.686 2.952 -24.988 732 HA VAL 92 HA VAL 92 1.338 2.550 -26.924 733 HB VAL 92 HB VAL 92 1.610 3.211 -23.964 734 1HG1 VAL 92 1HG1 VAL 92 3.894 4.092 -24.650 735 2HG1 VAL 92 2HG1 VAL 92 3.789 2.306 -24.782 736 3HG1 VAL 92 3HG1 VAL 92 3.683 3.327 -26.266 737 1HG2 VAL 92 1HG2 VAL 92 0.279 4.875 -25.327 738 2HG2 VAL 92 2HG2 VAL 92 1.606 4.938 -26.540 739 3HG2 VAL 92 3HG2 VAL 92 1.880 5.546 -24.866 740 H MET 93 H MET 93 1.028 0.688 -23.691 741 HA MET 93 HA MET 93 3.226 -0.973 -24.408 742 1HB MET 93 1HB MET 93 1.096 -1.446 -22.273 743 2HB MET 93 2HB MET 93 2.540 -2.488 -22.528 744 1HG MET 93 1HG MET 93 4.015 -0.462 -22.257 745 2HG MET 93 2HG MET 93 2.577 0.496 -21.781 746 1HE MET 93 1HE MET 93 5.501 -0.275 -20.337 747 2HE MET 93 2HE MET 93 4.954 -0.159 -18.629 748 3HE MET 93 3HE MET 93 4.374 1.036 -19.839 749 H THR 94 H THR 94 -0.388 -1.720 -24.870 750 HA THR 94 HA THR 94 0.220 -4.317 -25.857 751 HB THR 94 HB THR 94 -1.944 -4.649 -26.701 752 HG1 THR 94 HG1 THR 94 -2.481 -2.709 -27.557 753 1HG2 THR 94 1HG2 THR 94 -2.005 -3.156 -23.984 754 2HG2 THR 94 2HG2 THR 94 -3.196 -4.370 -24.569 755 3HG2 THR 94 3HG2 THR 94 -1.498 -4.866 -24.233 756 H GLN 95 H GLN 95 -0.490 -1.236 -27.837 757 HA GLN 95 HA GLN 95 -0.008 -2.526 -30.297 758 1HB GLN 95 1HB GLN 95 -1.162 -0.312 -29.946 759 2HB GLN 95 2HB GLN 95 0.443 0.436 -29.659 760 1HG GLN 95 1HG GLN 95 1.137 -0.180 -32.007 761 2HG GLN 95 2HG GLN 95 -0.464 -0.982 -32.261 762 1HE2 GLN 95 1HE2 GLN 95 0.013 0.894 -34.075 763 2HE2 GLN 95 2HE2 GLN 95 -0.817 2.384 -33.758 764 H LYS 96 H LYS 96 2.506 -0.937 -28.135 765 HA LYS 96 HA LYS 96 4.597 -1.288 -30.055 766 1HB LYS 96 1HB LYS 96 4.805 0.371 -28.249 767 2HB LYS 96 2HB LYS 96 4.699 -0.928 -27.019 768 1HG LYS 96 1HG LYS 96 7.026 -0.154 -27.259 769 2HG LYS 96 2HG LYS 96 6.830 -1.863 -27.710 770 1HD LYS 96 1HD LYS 96 6.629 -0.817 -30.225 771 2HD LYS 96 2HD LYS 96 7.480 0.556 -29.459 772 1HE LYS 96 1HE LYS 96 9.042 -1.064 -30.572 773 2HE LYS 96 2HE LYS 96 9.353 -1.027 -28.788 774 1HZ LYS 96 1HZ LYS 96 8.545 -3.082 -28.508 775 2HZ LYS 96 2HZ LYS 96 9.096 -3.264 -30.107 776 3HZ LYS 96 3HZ LYS 96 7.436 -3.015 -29.798 777 H MET 97 H MET 97 3.638 -3.458 -27.200 778 HA MET 97 HA MET 97 5.813 -5.270 -27.758 779 1HB MET 97 1HB MET 97 3.349 -5.574 -25.993 780 2HB MET 97 2HB MET 97 4.726 -6.737 -26.028 781 1HG MET 97 1HG MET 97 6.278 -4.967 -25.260 782 2HG MET 97 2HG MET 97 4.978 -3.747 -25.329 783 1HE MET 97 1HE MET 97 5.265 -2.823 -23.080 784 2HE MET 97 2HE MET 97 6.720 -3.863 -22.931 785 3HE MET 97 3HE MET 97 5.536 -3.774 -21.580 786 H SER 98 H SER 98 2.155 -5.822 -28.126 787 HA SER 98 HA SER 98 2.687 -8.113 -29.844 788 1HB SER 98 1HB SER 98 0.249 -8.374 -30.005 789 2HB SER 98 2HB SER 98 0.808 -8.354 -28.295 790 HG SER 98 HG SER 98 0.052 -5.996 -29.605 Start of MODEL 6 1 1H MET 1 1H MET 1 -9.929 8.551 -40.203 2 2H MET 1 2H MET 1 -11.072 8.450 -41.459 3 3H MET 1 3H MET 1 -9.416 8.342 -41.808 4 HA MET 1 HA MET 1 -9.219 6.326 -40.610 5 1HB MET 1 1HB MET 1 -11.065 6.766 -38.956 6 2HB MET 1 2HB MET 1 -12.282 6.531 -40.248 7 1HG MET 1 1HG MET 1 -12.116 4.562 -38.809 8 2HG MET 1 2HG MET 1 -11.609 4.147 -40.472 9 1HE MET 1 1HE MET 1 -10.655 1.924 -39.694 10 2HE MET 1 2HE MET 1 -11.193 2.300 -38.019 11 3HE MET 1 3HE MET 1 -9.526 1.698 -38.315 12 H ALA 2 H ALA 2 -12.505 6.163 -42.295 13 HA ALA 2 HA ALA 2 -11.396 4.272 -44.179 14 1HB ALA 2 1HB ALA 2 -13.671 3.922 -43.244 15 2HB ALA 2 2HB ALA 2 -13.733 4.090 -45.032 16 3HB ALA 2 3HB ALA 2 -14.216 5.471 -43.983 17 H SER 3 H SER 3 -9.955 5.358 -45.641 18 HA SER 3 HA SER 3 -11.214 7.108 -47.629 19 1HB SER 3 1HB SER 3 -10.261 8.631 -45.831 20 2HB SER 3 2HB SER 3 -8.634 7.943 -46.157 21 HG SER 3 HG SER 3 -10.310 9.494 -47.833 22 H ASN 4 H ASN 4 -7.810 5.876 -46.823 23 HA ASN 4 HA ASN 4 -7.370 5.400 -49.681 24 1HB ASN 4 1HB ASN 4 -5.503 4.975 -47.270 25 2HB ASN 4 2HB ASN 4 -5.053 4.683 -48.991 26 1HD2 ASN 4 1HD2 ASN 4 -5.077 7.074 -46.514 27 2HD2 ASN 4 2HD2 ASN 4 -4.858 8.470 -47.518 28 H PHE 5 H PHE 5 -8.820 3.626 -50.148 29 HA PHE 5 HA PHE 5 -8.832 1.269 -48.473 30 1HB PHE 5 1HB PHE 5 -10.228 1.748 -51.181 31 2HB PHE 5 2HB PHE 5 -10.548 0.369 -50.057 32 HD1 PHE 5 HD1 PHE 5 -11.454 3.744 -50.912 33 HD2 PHE 5 HD2 PHE 5 -11.228 0.990 -47.615 34 HE1 PHE 5 HE1 PHE 5 -13.077 5.114 -49.653 35 HE2 PHE 5 HE2 PHE 5 -12.856 2.361 -46.363 36 HZ PHE 5 HZ PHE 5 -13.785 4.431 -47.380 37 H LYS 6 H LYS 6 -6.807 0.171 -48.612 38 HA LYS 6 HA LYS 6 -5.451 -0.126 -51.106 39 1HB LYS 6 1HB LYS 6 -4.834 -1.463 -48.421 40 2HB LYS 6 2HB LYS 6 -3.742 -1.396 -49.851 41 1HG LYS 6 1HG LYS 6 -3.794 1.124 -49.741 42 2HG LYS 6 2HG LYS 6 -4.763 1.023 -48.229 43 1HD LYS 6 1HD LYS 6 -2.910 -0.235 -47.120 44 2HD LYS 6 2HD LYS 6 -1.948 -0.157 -48.642 45 1HE LYS 6 1HE LYS 6 -1.934 2.369 -48.501 46 2HE LYS 6 2HE LYS 6 -2.869 2.280 -46.954 47 1HZ LYS 6 1HZ LYS 6 -1.037 1.048 -45.990 48 2HZ LYS 6 2HZ LYS 6 -0.164 1.135 -47.444 49 3HZ LYS 6 3HZ LYS 6 -0.524 2.552 -46.586 50 H LYS 7 H LYS 7 -7.205 -2.704 -49.110 51 HA LYS 7 HA LYS 7 -7.356 -4.326 -51.536 52 1HB LYS 7 1HB LYS 7 -5.265 -5.127 -50.376 53 2HB LYS 7 2HB LYS 7 -6.248 -5.510 -48.925 54 1HG LYS 7 1HG LYS 7 -7.613 -7.131 -50.311 55 2HG LYS 7 2HG LYS 7 -6.582 -6.764 -51.736 56 1HD LYS 7 1HD LYS 7 -5.610 -7.970 -49.065 57 2HD LYS 7 2HD LYS 7 -6.037 -8.909 -50.538 58 1HE LYS 7 1HE LYS 7 -4.197 -7.755 -51.824 59 2HE LYS 7 2HE LYS 7 -3.729 -6.848 -50.329 60 1HZ LYS 7 1HZ LYS 7 -3.291 -8.959 -49.256 61 2HZ LYS 7 2HZ LYS 7 -2.368 -8.771 -50.668 62 3HZ LYS 7 3HZ LYS 7 -3.713 -9.804 -50.666 63 H ALA 8 H ALA 8 -9.608 -4.449 -51.682 64 HA ALA 8 HA ALA 8 -11.200 -4.947 -49.255 65 1HB ALA 8 1HB ALA 8 -13.193 -4.544 -50.677 66 2HB ALA 8 2HB ALA 8 -12.130 -4.385 -52.126 67 3HB ALA 8 3HB ALA 8 -12.033 -3.174 -50.795 68 H ASN 9 H ASN 9 -12.461 -6.863 -48.917 69 HA ASN 9 HA ASN 9 -11.885 -9.205 -50.547 70 1HB ASN 9 1HB ASN 9 -13.872 -8.789 -48.230 71 2HB ASN 9 2HB ASN 9 -13.631 -10.359 -49.063 72 1HD2 ASN 9 1HD2 ASN 9 -10.934 -10.746 -49.311 73 2HD2 ASN 9 2HD2 ASN 9 -10.139 -10.661 -47.773 74 H MET 10 H MET 10 -12.713 -8.619 -52.662 75 HA MET 10 HA MET 10 -15.694 -8.691 -52.906 76 1HB MET 10 1HB MET 10 -13.604 -7.526 -54.847 77 2HB MET 10 2HB MET 10 -15.370 -7.680 -55.188 78 1HG MET 10 1HG MET 10 -15.864 -6.178 -53.261 79 2HG MET 10 2HG MET 10 -14.115 -6.033 -52.906 80 1HE MET 10 1HE MET 10 -15.150 -2.481 -54.156 81 2HE MET 10 2HE MET 10 -16.170 -3.657 -53.260 82 3HE MET 10 3HE MET 10 -14.434 -3.469 -52.838 83 H ALA 11 H ALA 11 -13.324 -9.342 -55.590 84 HA ALA 11 HA ALA 11 -14.309 -11.967 -56.067 85 1HB ALA 11 1HB ALA 11 -11.637 -10.717 -56.945 86 2HB ALA 11 2HB ALA 11 -12.372 -12.219 -57.623 87 3HB ALA 11 3HB ALA 11 -13.191 -10.634 -57.852 88 H SER 12 H SER 12 -11.109 -10.954 -54.473 89 HA SER 12 HA SER 12 -10.669 -13.663 -53.505 90 1HB SER 12 1HB SER 12 -8.708 -12.448 -52.268 91 2HB SER 12 2HB SER 12 -8.657 -12.550 -54.066 92 HG SER 12 HG SER 12 -8.207 -10.470 -53.279 93 H SER 13 H SER 13 -12.822 -13.783 -52.360 94 HA SER 13 HA SER 13 -13.003 -12.214 -49.866 95 1HB SER 13 1HB SER 13 -15.089 -13.863 -51.385 96 2HB SER 13 2HB SER 13 -15.335 -13.316 -49.683 97 HG SER 13 HG SER 13 -15.119 -11.768 -52.018 98 H SER 14 H SER 14 -12.121 -13.097 -48.033 99 HA SER 14 HA SER 14 -11.826 -15.931 -47.678 100 1HB SER 14 1HB SER 14 -10.298 -14.177 -46.638 101 2HB SER 14 2HB SER 14 -11.632 -13.782 -45.493 102 HG SER 14 HG SER 14 -10.156 -15.287 -44.639 103 H GLN 15 H GLN 15 -12.763 -17.203 -45.849 104 HA GLN 15 HA GLN 15 -15.497 -16.377 -45.010 105 1HB GLN 15 1HB GLN 15 -14.714 -19.165 -46.048 106 2HB GLN 15 2HB GLN 15 -16.295 -18.728 -45.300 107 1HG GLN 15 1HG GLN 15 -16.730 -17.117 -47.178 108 2HG GLN 15 2HG GLN 15 -15.150 -17.565 -47.932 109 1HE2 GLN 15 1HE2 GLN 15 -17.097 -18.020 -49.632 110 2HE2 GLN 15 2HE2 GLN 15 -17.602 -19.677 -49.698 111 H ARG 16 H ARG 16 -13.254 -19.249 -44.467 112 HA ARG 16 HA ARG 16 -13.972 -19.287 -41.657 113 1HB ARG 16 1HB ARG 16 -13.706 -21.369 -43.054 114 2HB ARG 16 2HB ARG 16 -11.951 -21.026 -43.173 115 1HG ARG 16 1HG ARG 16 -11.760 -21.201 -40.667 116 2HG ARG 16 2HG ARG 16 -13.516 -21.558 -40.556 117 1HD ARG 16 1HD ARG 16 -11.397 -23.266 -42.047 118 2HD ARG 16 2HD ARG 16 -12.113 -23.643 -40.418 119 HE ARG 16 HE ARG 16 -14.304 -23.303 -42.162 120 1HH1 ARG 16 1HH1 ARG 16 -11.474 -25.496 -41.931 121 2HH1 ARG 16 2HH1 ARG 16 -12.248 -26.820 -42.698 122 1HH2 ARG 16 1HH2 ARG 16 -15.359 -25.132 -43.227 123 2HH2 ARG 16 2HH2 ARG 16 -14.514 -26.605 -43.456 124 H LYS 17 H LYS 17 -12.843 -18.199 -40.044 125 HA LYS 17 HA LYS 17 -11.294 -17.141 -38.885 126 1HB LYS 17 1HB LYS 17 -9.103 -18.102 -40.775 127 2HB LYS 17 2HB LYS 17 -8.835 -17.210 -39.253 128 1HG LYS 17 1HG LYS 17 -10.167 -19.983 -39.503 129 2HG LYS 17 2HG LYS 17 -8.450 -19.694 -39.085 130 1HD LYS 17 1HD LYS 17 -10.867 -18.790 -37.392 131 2HD LYS 17 2HD LYS 17 -9.863 -20.253 -37.119 132 1HE LYS 17 1HE LYS 17 -7.824 -18.802 -36.764 133 2HE LYS 17 2HE LYS 17 -8.850 -17.325 -36.965 134 1HZ LYS 17 1HZ LYS 17 -10.147 -18.037 -35.065 135 2HZ LYS 17 2HZ LYS 17 -9.175 -19.417 -34.874 136 3HZ LYS 17 3HZ LYS 17 -8.505 -17.873 -34.674 137 H ARG 18 H ARG 18 -11.973 -14.998 -39.092 138 HA ARG 18 HA ARG 18 -10.554 -13.362 -41.099 139 1HB ARG 18 1HB ARG 18 -13.538 -13.034 -40.437 140 2HB ARG 18 2HB ARG 18 -12.546 -11.945 -41.477 141 1HG ARG 18 1HG ARG 18 -12.122 -13.952 -43.018 142 2HG ARG 18 2HG ARG 18 -13.214 -14.914 -41.976 143 1HD ARG 18 1HD ARG 18 -14.510 -14.243 -43.879 144 2HD ARG 18 2HD ARG 18 -15.098 -13.242 -42.482 145 HE ARG 18 HE ARG 18 -13.030 -11.763 -43.790 146 1HH1 ARG 18 1HH1 ARG 18 -16.288 -13.048 -44.546 147 2HH1 ARG 18 2HH1 ARG 18 -16.678 -11.828 -45.685 148 1HH2 ARG 18 1HH2 ARG 18 -13.529 -10.139 -45.493 149 2HH2 ARG 18 2HH2 ARG 18 -15.093 -10.117 -46.185 150 H MET 19 H MET 19 -12.998 -11.891 -38.908 151 HA MET 19 HA MET 19 -11.104 -11.296 -36.813 152 1HB MET 19 1HB MET 19 -10.446 -9.529 -38.436 153 2HB MET 19 2HB MET 19 -12.165 -9.063 -38.649 154 1HG MET 19 1HG MET 19 -10.932 -7.462 -37.224 155 2HG MET 19 2HG MET 19 -12.300 -8.215 -36.362 156 1HE MET 19 1HE MET 19 -9.968 -7.566 -33.400 157 2HE MET 19 2HE MET 19 -10.301 -6.543 -34.840 158 3HE MET 19 3HE MET 19 -11.629 -7.488 -34.079 159 H SER 20 H SER 20 -12.366 -11.353 -34.892 160 HA SER 20 HA SER 20 -15.231 -11.343 -35.037 161 1HB SER 20 1HB SER 20 -15.018 -11.488 -32.463 162 2HB SER 20 2HB SER 20 -14.299 -12.819 -33.439 163 HG SER 20 HG SER 20 -12.950 -10.595 -32.330 164 HA PRO 21 HA PRO 21 -15.536 -6.768 -34.387 165 1HB PRO 21 1HB PRO 21 -18.434 -7.618 -33.775 166 2HB PRO 21 2HB PRO 21 -17.889 -6.181 -34.733 167 1HG PRO 21 1HG PRO 21 -18.770 -8.405 -36.035 168 2HG PRO 21 2HG PRO 21 -17.243 -7.606 -36.602 169 1HD PRO 21 1HD PRO 21 -17.512 -10.090 -34.806 170 2HD PRO 21 2HD PRO 21 -16.421 -9.814 -36.243 171 H LYS 22 H LYS 22 -15.941 -5.211 -32.624 172 HA LYS 22 HA LYS 22 -15.813 -4.481 -30.550 173 1HB LYS 22 1HB LYS 22 -18.012 -5.517 -30.192 174 2HB LYS 22 2HB LYS 22 -17.223 -7.001 -29.588 175 1HG LYS 22 1HG LYS 22 -16.368 -4.485 -28.179 176 2HG LYS 22 2HG LYS 22 -18.130 -4.799 -28.080 177 1HD LYS 22 1HD LYS 22 -15.950 -6.808 -27.266 178 2HD LYS 22 2HD LYS 22 -16.828 -5.714 -26.144 179 1HE LYS 22 1HE LYS 22 -19.003 -6.845 -26.738 180 2HE LYS 22 2HE LYS 22 -18.120 -7.958 -27.856 181 1HZ LYS 22 1HZ LYS 22 -17.702 -7.740 -24.916 182 2HZ LYS 22 2HZ LYS 22 -16.823 -8.733 -25.940 183 3HZ LYS 22 3HZ LYS 22 -18.494 -8.993 -25.747 184 HA PRO 23 HA PRO 23 -11.897 -6.916 -29.796 185 1HB PRO 23 1HB PRO 23 -10.911 -4.029 -29.402 186 2HB PRO 23 2HB PRO 23 -10.019 -5.411 -30.163 187 1HG PRO 23 1HG PRO 23 -11.186 -3.526 -31.747 188 2HG PRO 23 2HG PRO 23 -11.415 -5.279 -32.154 189 1HD PRO 23 1HD PRO 23 -13.371 -3.423 -30.670 190 2HD PRO 23 2HD PRO 23 -13.693 -4.604 -32.024 191 H GLU 24 H GLU 24 -10.994 -7.640 -27.809 192 HA GLU 24 HA GLU 24 -11.481 -6.052 -25.379 193 1HB GLU 24 1HB GLU 24 -12.390 -8.939 -25.785 194 2HB GLU 24 2HB GLU 24 -12.186 -8.198 -24.156 195 1HG GLU 24 1HG GLU 24 -13.802 -6.408 -24.687 196 2HG GLU 24 2HG GLU 24 -14.005 -7.045 -26.358 197 H LEU 25 H LEU 25 -10.325 -6.913 -23.416 198 HA LEU 25 HA LEU 25 -7.565 -7.659 -24.151 199 1HB LEU 25 1HB LEU 25 -8.690 -6.761 -21.437 200 2HB LEU 25 2HB LEU 25 -6.956 -7.001 -21.833 201 HG LEU 25 HG LEU 25 -8.817 -4.885 -23.079 202 1HD1 LEU 25 1HD1 LEU 25 -6.605 -4.561 -20.953 203 2HD1 LEU 25 2HD1 LEU 25 -7.575 -3.236 -21.699 204 3HD1 LEU 25 3HD1 LEU 25 -8.382 -4.468 -20.660 205 1HD2 LEU 25 1HD2 LEU 25 -5.760 -5.229 -23.366 206 2HD2 LEU 25 2HD2 LEU 25 -6.734 -3.850 -23.992 207 3HD2 LEU 25 3HD2 LEU 25 -6.984 -5.499 -24.661 208 H THR 26 H THR 26 -6.642 -9.687 -23.529 209 HA THR 26 HA THR 26 -8.588 -11.666 -22.623 210 HB THR 26 HB THR 26 -6.769 -13.288 -23.353 211 HG1 THR 26 HG1 THR 26 -5.008 -12.417 -24.340 212 1HG2 THR 26 1HG2 THR 26 -7.600 -11.083 -25.370 213 2HG2 THR 26 2HG2 THR 26 -8.617 -12.474 -24.853 214 3HG2 THR 26 3HG2 THR 26 -7.090 -12.764 -25.758 215 H GLU 27 H GLU 27 -6.128 -13.377 -21.616 216 HA GLU 27 HA GLU 27 -6.439 -12.754 -18.823 217 1HB GLU 27 1HB GLU 27 -4.709 -14.882 -20.201 218 2HB GLU 27 2HB GLU 27 -5.056 -14.777 -18.439 219 1HG GLU 27 1HG GLU 27 -7.503 -15.119 -18.898 220 2HG GLU 27 2HG GLU 27 -7.164 -15.225 -20.666 221 H GLU 28 H GLU 28 -3.424 -13.141 -20.880 222 HA GLU 28 HA GLU 28 -1.542 -12.102 -19.158 223 1HB GLU 28 1HB GLU 28 -1.156 -13.270 -21.347 224 2HB GLU 28 2HB GLU 28 -1.703 -11.797 -22.211 225 1HG GLU 28 1HG GLU 28 0.300 -10.540 -21.241 226 2HG GLU 28 2HG GLU 28 0.817 -12.061 -20.425 227 H GLN 29 H GLN 29 -3.344 -10.077 -21.667 228 HA GLN 29 HA GLN 29 -2.097 -7.632 -20.990 229 1HB GLN 29 1HB GLN 29 -4.914 -8.129 -22.116 230 2HB GLN 29 2HB GLN 29 -4.024 -6.564 -22.196 231 1HG GLN 29 1HG GLN 29 -2.315 -7.548 -23.674 232 2HG GLN 29 2HG GLN 29 -3.019 -9.193 -23.509 233 1HE2 GLN 29 1HE2 GLN 29 -4.854 -9.761 -24.750 234 2HE2 GLN 29 2HE2 GLN 29 -5.611 -8.688 -25.885 235 H LYS 30 H LYS 30 -5.458 -8.741 -19.946 236 HA LYS 30 HA LYS 30 -6.075 -6.763 -18.126 237 1HB LYS 30 1HB LYS 30 -7.605 -8.605 -18.801 238 2HB LYS 30 2HB LYS 30 -6.620 -9.766 -17.857 239 1HG LYS 30 1HG LYS 30 -7.205 -8.488 -15.743 240 2HG LYS 30 2HG LYS 30 -8.228 -7.382 -16.728 241 1HD LYS 30 1HD LYS 30 -9.659 -9.311 -17.401 242 2HD LYS 30 2HD LYS 30 -8.566 -10.440 -16.521 243 1HE LYS 30 1HE LYS 30 -9.127 -9.285 -14.339 244 2HE LYS 30 2HE LYS 30 -10.274 -8.199 -15.225 245 1HZ LYS 30 1HZ LYS 30 -11.379 -10.051 -14.194 246 2HZ LYS 30 2HZ LYS 30 -11.519 -10.151 -15.883 247 3HZ LYS 30 3HZ LYS 30 -10.436 -11.165 -15.059 248 H GLN 31 H GLN 31 -4.397 -9.898 -17.156 249 HA GLN 31 HA GLN 31 -3.901 -9.147 -14.500 250 1HB GLN 31 1HB GLN 31 -3.818 -11.449 -15.438 251 2HB GLN 31 2HB GLN 31 -2.300 -11.069 -16.292 252 1HG GLN 31 1HG GLN 31 -2.619 -10.867 -13.210 253 2HG GLN 31 2HG GLN 31 -2.239 -12.420 -14.032 254 1HE2 GLN 31 1HE2 GLN 31 -0.355 -12.023 -15.861 255 2HE2 GLN 31 2HE2 GLN 31 1.061 -11.265 -15.215 256 H GLU 32 H GLU 32 -1.408 -8.871 -17.301 257 HA GLU 32 HA GLU 32 0.523 -7.835 -15.498 258 1HB GLU 32 1HB GLU 32 0.438 -7.612 -18.552 259 2HB GLU 32 2HB GLU 32 1.830 -7.138 -17.513 260 1HG GLU 32 1HG GLU 32 1.938 -9.505 -16.621 261 2HG GLU 32 2HG GLU 32 0.662 -9.979 -17.806 262 H ILE 33 H ILE 33 -1.287 -5.917 -18.086 263 HA ILE 33 HA ILE 33 -0.122 -3.465 -17.027 264 HB ILE 33 HB ILE 33 -1.843 -4.343 -19.341 265 1HG1 ILE 33 1HG1 ILE 33 -0.163 -2.976 -20.621 266 2HG1 ILE 33 2HG1 ILE 33 0.692 -2.593 -19.095 267 1HG2 ILE 33 1HG2 ILE 33 -2.118 -1.938 -20.086 268 2HG2 ILE 33 2HG2 ILE 33 -1.678 -1.423 -18.425 269 3HG2 ILE 33 3HG2 ILE 33 -3.163 -2.409 -18.702 270 1HD1 ILE 33 1HD1 ILE 33 1.766 -4.445 -20.471 271 2HD1 ILE 33 2HD1 ILE 33 1.323 -4.987 -18.820 272 3HD1 ILE 33 3HD1 ILE 33 0.294 -5.452 -20.228 273 H ARG 34 H ARG 34 -3.619 -4.914 -16.756 274 HA ARG 34 HA ARG 34 -4.313 -2.496 -15.279 275 1HB ARG 34 1HB ARG 34 -6.159 -3.656 -16.466 276 2HB ARG 34 2HB ARG 34 -6.008 -5.027 -15.309 277 1HG ARG 34 1HG ARG 34 -6.454 -3.529 -13.402 278 2HG ARG 34 2HG ARG 34 -6.425 -2.087 -14.482 279 1HD ARG 34 1HD ARG 34 -8.573 -2.808 -15.530 280 2HD ARG 34 2HD ARG 34 -8.580 -4.316 -14.499 281 HE ARG 34 HE ARG 34 -8.179 -2.140 -12.712 282 1HH1 ARG 34 1HH1 ARG 34 -10.817 -3.126 -14.947 283 2HH1 ARG 34 2HH1 ARG 34 -12.050 -2.409 -13.984 284 1HH2 ARG 34 1HH2 ARG 34 -9.740 -1.223 -11.488 285 2HH2 ARG 34 2HH2 ARG 34 -11.430 -1.265 -11.904 286 H GLU 35 H GLU 35 -3.373 -6.005 -14.146 287 HA GLU 35 HA GLU 35 -3.830 -5.226 -11.472 288 1HB GLU 35 1HB GLU 35 -3.372 -7.650 -12.361 289 2HB GLU 35 2HB GLU 35 -1.658 -7.253 -12.025 290 1HG GLU 35 1HG GLU 35 -2.537 -8.415 -10.094 291 2HG GLU 35 2HG GLU 35 -2.372 -6.686 -9.606 292 H ALA 36 H ALA 36 -0.723 -4.659 -13.463 293 HA ALA 36 HA ALA 36 0.665 -3.550 -11.221 294 1HB ALA 36 1HB ALA 36 0.982 -2.871 -14.204 295 2HB ALA 36 2HB ALA 36 2.146 -2.431 -12.895 296 3HB ALA 36 3HB ALA 36 1.863 -4.159 -13.312 297 H PHE 37 H PHE 37 -1.093 -1.649 -13.909 298 HA PHE 37 HA PHE 37 -0.655 0.849 -12.688 299 1HB PHE 37 1HB PHE 37 -1.465 0.271 -15.109 300 2HB PHE 37 2HB PHE 37 -3.117 0.190 -14.434 301 HD1 PHE 37 HD1 PHE 37 -0.474 2.307 -15.692 302 HD2 PHE 37 HD2 PHE 37 -4.036 2.361 -13.277 303 HE1 PHE 37 HE1 PHE 37 -0.732 4.718 -16.124 304 HE2 PHE 37 HE2 PHE 37 -4.210 4.800 -13.604 305 HZ PHE 37 HZ PHE 37 -2.559 5.981 -15.038 306 H ASP 38 H ASP 38 -3.624 -1.323 -12.334 307 HA ASP 38 HA ASP 38 -5.036 0.402 -10.576 308 1HB ASP 38 1HB ASP 38 -5.747 -1.746 -11.948 309 2HB ASP 38 2HB ASP 38 -5.252 -2.657 -10.488 310 H LEU 39 H LEU 39 -2.402 -2.094 -9.783 311 HA LEU 39 HA LEU 39 -2.667 -2.022 -6.997 312 1HB LEU 39 1HB LEU 39 -1.169 -3.611 -8.202 313 2HB LEU 39 2HB LEU 39 -0.107 -2.250 -8.673 314 HG LEU 39 HG LEU 39 0.440 -1.856 -6.250 315 1HD1 LEU 39 1HD1 LEU 39 -1.587 -2.773 -5.144 316 2HD1 LEU 39 2HD1 LEU 39 -0.112 -3.614 -4.551 317 3HD1 LEU 39 3HD1 LEU 39 -1.193 -4.429 -5.744 318 1HD2 LEU 39 1HD2 LEU 39 1.910 -3.224 -7.701 319 2HD2 LEU 39 2HD2 LEU 39 1.929 -3.824 -6.001 320 3HD2 LEU 39 3HD2 LEU 39 0.991 -4.712 -7.262 321 H PHE 40 H PHE 40 -0.800 0.284 -9.138 322 HA PHE 40 HA PHE 40 -0.052 1.941 -6.853 323 1HB PHE 40 1HB PHE 40 0.292 2.491 -9.844 324 2HB PHE 40 2HB PHE 40 1.055 3.425 -8.486 325 HD1 PHE 40 HD1 PHE 40 2.351 1.947 -6.697 326 HD2 PHE 40 HD2 PHE 40 1.458 0.623 -10.686 327 HE1 PHE 40 HE1 PHE 40 4.014 0.132 -6.470 328 HE2 PHE 40 HE2 PHE 40 3.079 -1.219 -10.440 329 HZ PHE 40 HZ PHE 40 4.365 -1.473 -8.339 330 H ASP 41 H ASP 41 -2.551 2.293 -9.550 331 HA ASP 41 HA ASP 41 -3.635 4.715 -8.338 332 1HB ASP 41 1HB ASP 41 -3.573 3.982 -10.848 333 2HB ASP 41 2HB ASP 41 -4.903 2.855 -10.453 334 H ALA 42 H ALA 42 -3.825 3.475 -6.091 335 HA ALA 42 HA ALA 42 -5.661 1.277 -5.927 336 1HB ALA 42 1HB ALA 42 -3.672 1.453 -4.453 337 2HB ALA 42 2HB ALA 42 -4.390 2.901 -3.653 338 3HB ALA 42 3HB ALA 42 -5.185 1.286 -3.492 339 H ASP 43 H ASP 43 -6.132 4.769 -5.005 340 HA ASP 43 HA ASP 43 -8.719 4.291 -3.804 341 1HB ASP 43 1HB ASP 43 -7.108 6.207 -3.233 342 2HB ASP 43 2HB ASP 43 -7.556 6.959 -4.805 343 H GLY 44 H GLY 44 -7.680 4.992 -7.204 344 1HA GLY 44 1HA GLY 44 -9.097 4.760 -9.039 345 2HA GLY 44 2HA GLY 44 -10.507 5.280 -8.044 346 H THR 45 H THR 45 -7.476 6.394 -9.651 347 HA THR 45 HA THR 45 -8.446 9.200 -9.433 348 HB THR 45 HB THR 45 -6.043 9.912 -9.366 349 HG1 THR 45 HG1 THR 45 -4.551 8.413 -8.827 350 1HG2 THR 45 1HG2 THR 45 -7.109 8.140 -7.050 351 2HG2 THR 45 2HG2 THR 45 -7.593 9.844 -7.370 352 3HG2 THR 45 3HG2 THR 45 -5.895 9.464 -6.909 353 H GLY 46 H GLY 46 -5.856 7.524 -11.515 354 1HA GLY 46 1HA GLY 46 -6.824 7.902 -13.970 355 2HA GLY 46 2HA GLY 46 -6.422 9.596 -13.508 356 H THR 47 H THR 47 -4.007 9.677 -12.461 357 HA THR 47 HA THR 47 -2.248 8.339 -14.437 358 HB THR 47 HB THR 47 -0.606 10.209 -13.968 359 HG1 THR 47 HG1 THR 47 -2.954 11.417 -12.917 360 1HG2 THR 47 1HG2 THR 47 -1.758 11.798 -15.521 361 2HG2 THR 47 2HG2 THR 47 -1.920 10.094 -16.061 362 3HG2 THR 47 3HG2 THR 47 -3.319 10.922 -15.282 363 H ILE 48 H ILE 48 -0.352 7.379 -13.805 364 HA ILE 48 HA ILE 48 0.238 7.091 -10.897 365 HB ILE 48 HB ILE 48 -0.189 4.924 -12.016 366 1HG1 ILE 48 1HG1 ILE 48 2.785 5.436 -11.354 367 2HG1 ILE 48 2HG1 ILE 48 1.487 4.849 -10.264 368 1HG2 ILE 48 1HG2 ILE 48 2.133 5.532 -13.954 369 2HG2 ILE 48 2HG2 ILE 48 0.404 5.764 -14.383 370 3HG2 ILE 48 3HG2 ILE 48 1.005 4.136 -13.967 371 1HD1 ILE 48 1HD1 ILE 48 1.309 2.770 -11.797 372 2HD1 ILE 48 2HD1 ILE 48 2.889 2.950 -10.944 373 3HD1 ILE 48 3HD1 ILE 48 2.758 3.374 -12.681 374 H ASP 49 H ASP 49 2.257 7.965 -10.240 375 HA ASP 49 HA ASP 49 3.638 9.610 -12.251 376 1HB ASP 49 1HB ASP 49 3.662 9.740 -9.189 377 2HB ASP 49 2HB ASP 49 4.726 10.748 -10.236 378 H VAL 50 H VAL 50 6.087 9.944 -12.100 379 HA VAL 50 HA VAL 50 7.329 7.649 -12.825 380 HB VAL 50 HB VAL 50 9.557 8.861 -12.547 381 1HG1 VAL 50 1HG1 VAL 50 8.921 10.396 -14.431 382 2HG1 VAL 50 2HG1 VAL 50 8.255 8.736 -14.637 383 3HG1 VAL 50 3HG1 VAL 50 7.178 10.072 -14.100 384 1HG2 VAL 50 1HG2 VAL 50 7.643 11.160 -11.698 385 2HG2 VAL 50 2HG2 VAL 50 9.402 11.280 -12.031 386 3HG2 VAL 50 3HG2 VAL 50 8.829 10.339 -10.611 387 H LYS 51 H LYS 51 7.488 8.700 -9.334 388 HA LYS 51 HA LYS 51 9.420 6.805 -8.486 389 1HB LYS 51 1HB LYS 51 6.911 7.756 -6.975 390 2HB LYS 51 2HB LYS 51 8.356 6.981 -6.236 391 1HG LYS 51 1HG LYS 51 9.748 8.944 -6.897 392 2HG LYS 51 2HG LYS 51 8.330 9.698 -7.707 393 1HD LYS 51 1HD LYS 51 7.092 9.711 -5.529 394 2HD LYS 51 2HD LYS 51 8.553 9.051 -4.708 395 1HE LYS 51 1HE LYS 51 9.852 11.114 -5.344 396 2HE LYS 51 2HE LYS 51 8.404 11.758 -6.221 397 1HZ LYS 51 1HZ LYS 51 8.625 12.699 -4.039 398 2HZ LYS 51 2HZ LYS 51 8.564 11.169 -3.307 399 3HZ LYS 51 3HZ LYS 51 7.210 11.769 -4.136 400 H GLU 52 H GLU 52 5.770 6.433 -8.327 401 HA GLU 52 HA GLU 52 5.815 3.633 -7.770 402 1HB GLU 52 1HB GLU 52 3.576 5.425 -8.855 403 2HB GLU 52 2HB GLU 52 3.366 3.776 -8.169 404 1HG GLU 52 1HG GLU 52 4.298 4.580 -5.963 405 2HG GLU 52 2HG GLU 52 4.470 6.242 -6.641 406 H LEU 53 H LEU 53 5.541 5.462 -10.976 407 HA LEU 53 HA LEU 53 5.075 3.190 -12.582 408 1HB LEU 53 1HB LEU 53 4.975 5.614 -13.321 409 2HB LEU 53 2HB LEU 53 6.767 5.644 -13.286 410 HG LEU 53 HG LEU 53 6.828 3.893 -15.078 411 1HD1 LEU 53 1HD1 LEU 53 3.752 4.195 -15.146 412 2HD1 LEU 53 2HD1 LEU 53 4.755 3.341 -16.374 413 3HD1 LEU 53 3HD1 LEU 53 4.670 2.709 -14.696 414 1HD2 LEU 53 1HD2 LEU 53 5.130 6.369 -15.780 415 2HD2 LEU 53 2HD2 LEU 53 6.923 6.323 -15.634 416 3HD2 LEU 53 3HD2 LEU 53 6.101 5.382 -16.934 417 H LYS 54 H LYS 54 8.296 4.378 -11.240 418 HA LYS 54 HA LYS 54 9.918 2.414 -12.528 419 1HB LYS 54 1HB LYS 54 10.248 3.917 -9.898 420 2HB LYS 54 2HB LYS 54 11.490 2.779 -10.508 421 1HG LYS 54 1HG LYS 54 10.482 5.114 -12.218 422 2HG LYS 54 2HG LYS 54 11.745 5.363 -10.979 423 1HD LYS 54 1HD LYS 54 11.952 3.276 -13.240 424 2HD LYS 54 2HD LYS 54 12.507 4.967 -13.426 425 1HE LYS 54 1HE LYS 54 13.608 2.952 -11.338 426 2HE LYS 54 2HE LYS 54 14.392 3.399 -12.903 427 1HZ LYS 54 1HZ LYS 54 15.310 4.613 -11.069 428 2HZ LYS 54 2HZ LYS 54 13.792 5.257 -10.660 429 3HZ LYS 54 3HZ LYS 54 14.522 5.672 -12.135 430 H VAL 55 H VAL 55 8.133 2.274 -9.302 431 HA VAL 55 HA VAL 55 8.939 -0.387 -8.671 432 HB VAL 55 HB VAL 55 6.262 0.865 -7.929 433 1HG1 VAL 55 1HG1 VAL 55 8.016 -1.335 -6.614 434 2HG1 VAL 55 2HG1 VAL 55 6.485 -0.665 -5.940 435 3HG1 VAL 55 3HG1 VAL 55 6.453 -1.613 -7.464 436 1HG2 VAL 55 1HG2 VAL 55 8.066 2.445 -7.301 437 2HG2 VAL 55 2HG2 VAL 55 9.053 1.105 -6.608 438 3HG2 VAL 55 3HG2 VAL 55 7.499 1.592 -5.835 439 H ALA 56 H ALA 56 6.231 0.825 -10.772 440 HA ALA 56 HA ALA 56 5.127 -1.664 -11.471 441 1HB ALA 56 1HB ALA 56 4.046 0.524 -12.083 442 2HB ALA 56 2HB ALA 56 4.162 -0.632 -13.458 443 3HB ALA 56 3HB ALA 56 5.300 0.753 -13.351 444 H MET 57 H MET 57 7.986 0.017 -12.977 445 HA MET 57 HA MET 57 8.569 -1.903 -14.959 446 1HB MET 57 1HB MET 57 10.754 -0.422 -13.390 447 2HB MET 57 2HB MET 57 10.843 -1.109 -15.051 448 1HG MET 57 1HG MET 57 8.983 0.571 -15.661 449 2HG MET 57 2HG MET 57 9.220 1.278 -14.058 450 1HE MET 57 1HE MET 57 9.598 3.439 -14.517 451 2HE MET 57 2HE MET 57 10.752 4.159 -15.678 452 3HE MET 57 3HE MET 57 9.329 3.234 -16.278 453 H ARG 58 H ARG 58 9.631 -1.900 -11.446 454 HA ARG 58 HA ARG 58 11.293 -4.180 -11.522 455 1HB ARG 58 1HB ARG 58 9.338 -3.449 -9.265 456 2HB ARG 58 2HB ARG 58 10.773 -4.522 -9.125 457 1HG ARG 58 1HG ARG 58 12.273 -2.578 -9.571 458 2HG ARG 58 2HG ARG 58 10.833 -1.517 -9.784 459 1HD ARG 58 1HD ARG 58 10.101 -2.097 -7.415 460 2HD ARG 58 2HD ARG 58 11.680 -2.967 -7.180 461 HE ARG 58 HE ARG 58 12.373 -0.425 -8.151 462 1HH1 ARG 58 1HH1 ARG 58 10.557 -1.692 -5.330 463 2HH1 ARG 58 2HH1 ARG 58 10.917 -0.368 -4.304 464 1HH2 ARG 58 1HH2 ARG 58 12.882 1.396 -6.722 465 2HH2 ARG 58 2HH2 ARG 58 12.278 1.431 -5.117 466 H ALA 59 H ALA 59 7.635 -4.134 -10.854 467 HA ALA 59 HA ALA 59 7.357 -6.975 -10.958 468 1HB ALA 59 1HB ALA 59 4.914 -6.534 -11.179 469 2HB ALA 59 2HB ALA 59 5.265 -4.798 -11.525 470 3HB ALA 59 3HB ALA 59 5.650 -5.493 -9.910 471 H LEU 60 H LEU 60 6.869 -4.536 -13.685 472 HA LEU 60 HA LEU 60 5.948 -6.589 -15.503 473 1HB LEU 60 1HB LEU 60 6.732 -3.675 -16.000 474 2HB LEU 60 2HB LEU 60 6.015 -4.746 -17.252 475 HG LEU 60 HG LEU 60 4.641 -4.014 -14.600 476 1HD1 LEU 60 1HD1 LEU 60 3.170 -2.571 -15.988 477 2HD1 LEU 60 2HD1 LEU 60 4.182 -2.905 -17.443 478 3HD1 LEU 60 3HD1 LEU 60 4.887 -2.012 -16.038 479 1HD2 LEU 60 1HD2 LEU 60 2.586 -4.922 -15.709 480 2HD2 LEU 60 2HD2 LEU 60 3.581 -5.492 -17.098 481 3HD2 LEU 60 3HD2 LEU 60 3.824 -6.196 -15.455 482 H GLY 61 H GLY 61 9.224 -5.520 -14.832 483 1HA GLY 61 1HA GLY 61 10.375 -5.344 -17.278 484 2HA GLY 61 2HA GLY 61 11.191 -5.928 -15.789 485 H PHE 62 H PHE 62 10.632 -8.458 -15.407 486 HA PHE 62 HA PHE 62 10.886 -10.561 -15.998 487 1HB PHE 62 1HB PHE 62 9.514 -9.920 -18.663 488 2HB PHE 62 2HB PHE 62 9.660 -11.549 -17.904 489 HD1 PHE 62 HD1 PHE 62 7.271 -9.382 -18.660 490 HD2 PHE 62 HD2 PHE 62 8.912 -11.126 -15.079 491 HE1 PHE 62 HE1 PHE 62 5.121 -9.044 -17.503 492 HE2 PHE 62 HE2 PHE 62 6.762 -10.771 -13.931 493 HZ PHE 62 HZ PHE 62 4.860 -9.731 -15.134 494 H GLU 63 H GLU 63 12.519 -12.031 -16.774 495 HA GLU 63 HA GLU 63 13.847 -11.322 -19.318 496 1HB GLU 63 1HB GLU 63 15.399 -11.831 -16.748 497 2HB GLU 63 2HB GLU 63 16.101 -11.902 -18.409 498 1HG GLU 63 1HG GLU 63 15.461 -9.506 -18.779 499 2HG GLU 63 2HG GLU 63 14.762 -9.438 -17.118 500 HA PRO 64 HA PRO 64 13.226 -13.530 -21.956 501 1HB PRO 64 1HB PRO 64 10.335 -13.661 -21.583 502 2HB PRO 64 2HB PRO 64 11.473 -14.960 -22.117 503 1HG PRO 64 1HG PRO 64 10.221 -14.991 -19.636 504 2HG PRO 64 2HG PRO 64 11.911 -15.633 -19.863 505 1HD PRO 64 1HD PRO 64 11.134 -12.697 -19.362 506 2HD PRO 64 2HD PRO 64 11.752 -13.790 -18.124 507 H LYS 65 H LYS 65 14.068 -11.032 -21.774 508 HA LYS 65 HA LYS 65 12.256 -9.655 -23.447 509 1HB LYS 65 1HB LYS 65 11.363 -9.029 -21.105 510 2HB LYS 65 2HB LYS 65 12.842 -8.056 -20.900 511 1HG LYS 65 1HG LYS 65 12.217 -6.626 -22.804 512 2HG LYS 65 2HG LYS 65 10.880 -7.727 -23.277 513 1HD LYS 65 1HD LYS 65 11.020 -6.141 -20.635 514 2HD LYS 65 2HD LYS 65 10.171 -5.583 -22.111 515 1HE LYS 65 1HE LYS 65 9.430 -8.109 -20.470 516 2HE LYS 65 2HE LYS 65 8.565 -6.525 -20.474 517 1HZ LYS 65 1HZ LYS 65 8.848 -8.437 -22.729 518 2HZ LYS 65 2HZ LYS 65 7.439 -8.002 -21.885 519 3HZ LYS 65 3HZ LYS 65 8.216 -6.859 -22.888 520 H LYS 66 H LYS 66 13.296 -7.941 -24.678 521 HA LYS 66 HA LYS 66 16.219 -7.761 -24.379 522 1HB LYS 66 1HB LYS 66 15.253 -8.212 -26.626 523 2HB LYS 66 2HB LYS 66 14.429 -6.623 -26.595 524 1HG LYS 66 1HG LYS 66 16.662 -5.475 -26.433 525 2HG LYS 66 2HG LYS 66 17.491 -7.060 -26.434 526 1HD LYS 66 1HD LYS 66 15.729 -5.902 -28.699 527 2HD LYS 66 2HD LYS 66 17.518 -5.847 -28.651 528 1HE LYS 66 1HE LYS 66 15.788 -8.416 -28.841 529 2HE LYS 66 2HE LYS 66 16.747 -7.654 -30.168 530 1HZ LYS 66 1HZ LYS 66 18.743 -8.060 -28.885 531 2HZ LYS 66 2HZ LYS 66 17.892 -9.499 -29.180 532 3HZ LYS 66 3HZ LYS 66 17.839 -8.782 -27.643 533 H GLU 67 H GLU 67 13.910 -5.033 -25.349 534 HA GLU 67 HA GLU 67 14.356 -3.675 -22.877 535 1HB GLU 67 1HB GLU 67 15.285 -1.551 -23.710 536 2HB GLU 67 2HB GLU 67 16.446 -2.914 -23.775 537 1HG GLU 67 1HG GLU 67 16.141 -3.129 -26.235 538 2HG GLU 67 2HG GLU 67 14.900 -1.817 -26.217 539 H GLU 68 H GLU 68 12.518 -2.578 -22.358 540 HA GLU 68 HA GLU 68 10.872 -1.396 -24.507 541 1HB GLU 68 1HB GLU 68 9.771 -3.110 -22.219 542 2HB GLU 68 2HB GLU 68 8.782 -1.962 -23.188 543 1HG GLU 68 1HG GLU 68 9.425 -3.180 -25.298 544 2HG GLU 68 2HG GLU 68 10.281 -4.415 -24.303 545 H ILE 69 H ILE 69 11.022 -1.499 -20.831 546 HA ILE 69 HA ILE 69 9.615 0.863 -20.711 547 HB ILE 69 HB ILE 69 11.071 0.314 -18.215 548 1HG1 ILE 69 1HG1 ILE 69 10.575 -2.004 -19.057 549 2HG1 ILE 69 2HG1 ILE 69 9.658 -1.526 -17.606 550 1HG2 ILE 69 1HG2 ILE 69 9.438 2.150 -18.353 551 2HG2 ILE 69 2HG2 ILE 69 8.242 1.124 -19.224 552 3HG2 ILE 69 3HG2 ILE 69 8.590 0.800 -17.516 553 1HD1 ILE 69 1HD1 ILE 69 8.461 -1.546 -20.459 554 2HD1 ILE 69 2HD1 ILE 69 8.240 -2.813 -19.204 555 3HD1 ILE 69 3HD1 ILE 69 7.588 -1.162 -18.931 556 H LYS 70 H LYS 70 13.092 0.623 -20.934 557 HA LYS 70 HA LYS 70 13.973 3.223 -20.371 558 1HB LYS 70 1HB LYS 70 15.438 1.295 -20.933 559 2HB LYS 70 2HB LYS 70 14.612 1.111 -22.510 560 1HG LYS 70 1HG LYS 70 15.645 3.338 -23.241 561 2HG LYS 70 2HG LYS 70 16.641 3.287 -21.743 562 1HD LYS 70 1HD LYS 70 17.628 1.122 -22.468 563 2HD LYS 70 2HD LYS 70 16.418 0.996 -23.791 564 1HE LYS 70 1HE LYS 70 17.429 3.078 -24.870 565 2HE LYS 70 2HE LYS 70 18.773 2.988 -23.657 566 1HZ LYS 70 1HZ LYS 70 17.956 0.842 -25.569 567 2HZ LYS 70 2HZ LYS 70 19.231 0.737 -24.473 568 3HZ LYS 70 3HZ LYS 70 19.305 1.872 -25.740 569 H LYS 71 H LYS 71 12.440 1.973 -23.496 570 HA LYS 71 HA LYS 71 12.484 4.575 -24.732 571 1HB LYS 71 1HB LYS 71 12.451 2.264 -25.961 572 2HB LYS 71 2HB LYS 71 10.680 2.326 -25.689 573 1HG LYS 71 1HG LYS 71 10.812 4.731 -26.758 574 2HG LYS 71 2HG LYS 71 12.494 4.293 -27.218 575 1HD LYS 71 1HD LYS 71 11.458 2.240 -28.436 576 2HD LYS 71 2HD LYS 71 9.853 2.987 -28.118 577 1HE LYS 71 1HE LYS 71 12.175 4.105 -29.832 578 2HE LYS 71 2HE LYS 71 10.520 3.626 -30.385 579 1HZ LYS 71 1HZ LYS 71 11.251 5.929 -28.648 580 2HZ LYS 71 2HZ LYS 71 9.652 5.483 -28.993 581 3HZ LYS 71 3HZ LYS 71 10.693 5.981 -30.247 582 H MET 72 H MET 72 9.843 2.750 -22.848 583 HA MET 72 HA MET 72 7.787 4.608 -23.375 584 1HB MET 72 1HB MET 72 8.241 2.982 -20.822 585 2HB MET 72 2HB MET 72 6.855 4.090 -21.065 586 1HG MET 72 1HG MET 72 5.792 2.257 -21.765 587 2HG MET 72 2HG MET 72 6.500 2.745 -23.331 588 1HE MET 72 1HE MET 72 6.241 0.453 -24.499 589 2HE MET 72 2HE MET 72 6.601 -1.132 -23.740 590 3HE MET 72 3HE MET 72 5.301 -0.093 -23.075 591 H ILE 73 H ILE 73 10.228 4.840 -20.582 592 HA ILE 73 HA ILE 73 9.375 7.436 -19.784 593 HB ILE 73 HB ILE 73 12.130 6.154 -19.516 594 1HG1 ILE 73 1HG1 ILE 73 10.360 4.781 -18.463 595 2HG1 ILE 73 2HG1 ILE 73 11.415 5.558 -17.248 596 1HG2 ILE 73 1HG2 ILE 73 10.902 8.644 -18.143 597 2HG2 ILE 73 2HG2 ILE 73 12.376 8.582 -19.174 598 3HG2 ILE 73 3HG2 ILE 73 12.382 7.787 -17.567 599 1HD1 ILE 73 1HD1 ILE 73 8.558 6.487 -18.006 600 2HD1 ILE 73 2HD1 ILE 73 9.049 5.636 -16.508 601 3HD1 ILE 73 3HD1 ILE 73 9.633 7.305 -16.810 602 H SER 74 H SER 74 12.018 6.571 -22.167 603 HA SER 74 HA SER 74 12.772 9.212 -22.752 604 1HB SER 74 1HB SER 74 12.831 6.803 -24.658 605 2HB SER 74 2HB SER 74 13.763 8.339 -24.848 606 HG SER 74 HG SER 74 14.030 6.291 -22.922 607 H GLU 75 H GLU 75 9.924 7.448 -24.126 608 HA GLU 75 HA GLU 75 9.553 9.343 -26.268 609 1HB GLU 75 1HB GLU 75 9.056 6.856 -26.242 610 2HB GLU 75 2HB GLU 75 7.615 7.191 -25.240 611 1HG GLU 75 1HG GLU 75 6.546 8.393 -27.099 612 2HG GLU 75 2HG GLU 75 8.095 8.477 -28.016 613 H ILE 76 H ILE 76 7.611 8.697 -23.144 614 HA ILE 76 HA ILE 76 5.797 10.826 -23.891 615 HB ILE 76 HB ILE 76 5.857 9.193 -21.327 616 1HG1 ILE 76 1HG1 ILE 76 4.582 8.790 -24.104 617 2HG1 ILE 76 2HG1 ILE 76 5.686 7.684 -23.214 618 1HG2 ILE 76 1HG2 ILE 76 3.639 10.939 -22.605 619 2HG2 ILE 76 2HG2 ILE 76 3.452 9.907 -21.138 620 3HG2 ILE 76 3HG2 ILE 76 4.533 11.315 -21.084 621 1HD1 ILE 76 1HD1 ILE 76 3.829 7.400 -21.458 622 2HD1 ILE 76 2HD1 ILE 76 2.731 8.303 -22.570 623 3HD1 ILE 76 3HD1 ILE 76 3.450 6.746 -23.100 624 H ASP 77 H ASP 77 8.289 10.610 -21.228 625 HA ASP 77 HA ASP 77 7.765 13.454 -20.531 626 1HB ASP 77 1HB ASP 77 8.342 11.100 -18.615 627 2HB ASP 77 2HB ASP 77 8.338 12.833 -18.129 628 H LYS 78 H LYS 78 9.666 14.558 -21.155 629 HA LYS 78 HA LYS 78 12.250 13.547 -20.092 630 1HB LYS 78 1HB LYS 78 11.802 14.728 -22.893 631 2HB LYS 78 2HB LYS 78 13.419 14.429 -22.159 632 1HG LYS 78 1HG LYS 78 12.856 11.990 -21.993 633 2HG LYS 78 2HG LYS 78 11.373 12.285 -22.960 634 1HD LYS 78 1HD LYS 78 14.242 13.028 -23.890 635 2HD LYS 78 2HD LYS 78 13.453 11.459 -24.195 636 1HE LYS 78 1HE LYS 78 13.099 12.597 -26.206 637 2HE LYS 78 2HE LYS 78 11.511 12.770 -25.365 638 1HZ LYS 78 1HZ LYS 78 12.000 15.047 -24.903 639 2HZ LYS 78 2HZ LYS 78 13.640 14.852 -25.302 640 3HZ LYS 78 3HZ LYS 78 12.446 14.765 -26.497 641 H GLU 79 H GLU 79 10.528 16.483 -21.402 642 HA GLU 79 HA GLU 79 12.751 18.203 -20.973 643 1HB GLU 79 1HB GLU 79 9.803 18.855 -21.594 644 2HB GLU 79 2HB GLU 79 11.180 19.999 -21.706 645 1HG GLU 79 1HG GLU 79 10.648 19.303 -23.940 646 2HG GLU 79 2HG GLU 79 12.221 18.548 -23.497 647 H GLY 80 H GLY 80 9.510 17.960 -19.313 648 1HA GLY 80 1HA GLY 80 10.686 18.441 -16.814 649 2HA GLY 80 2HA GLY 80 9.861 19.929 -17.405 650 H THR 81 H THR 81 8.971 16.371 -17.409 651 HA THR 81 HA THR 81 6.587 16.987 -15.816 652 HB THR 81 HB THR 81 5.232 15.504 -17.434 653 HG1 THR 81 HG1 THR 81 6.385 14.623 -18.884 654 1HG2 THR 81 1HG2 THR 81 5.017 18.015 -17.341 655 2HG2 THR 81 2HG2 THR 81 6.309 18.160 -18.591 656 3HG2 THR 81 3HG2 THR 81 4.758 17.343 -18.992 657 H GLY 82 H GLY 82 5.519 14.398 -15.922 658 1HA GLY 82 1HA GLY 82 6.959 12.177 -15.926 659 2HA GLY 82 2HA GLY 82 7.387 12.851 -14.319 660 H LYS 83 H LYS 83 4.664 11.844 -16.364 661 HA LYS 83 HA LYS 83 3.481 10.345 -14.303 662 1HB LYS 83 1HB LYS 83 1.207 11.304 -14.197 663 2HB LYS 83 2HB LYS 83 2.435 12.164 -13.266 664 1HG LYS 83 1HG LYS 83 1.490 13.060 -16.058 665 2HG LYS 83 2HG LYS 83 0.656 13.535 -14.545 666 1HD LYS 83 1HD LYS 83 3.571 14.278 -15.240 667 2HD LYS 83 2HD LYS 83 2.121 15.283 -15.479 668 1HE LYS 83 1HE LYS 83 3.113 16.124 -13.510 669 2HE LYS 83 2HE LYS 83 1.676 15.190 -12.941 670 1HZ LYS 83 1HZ LYS 83 3.040 13.601 -11.974 671 2HZ LYS 83 2HZ LYS 83 4.328 13.880 -13.020 672 3HZ LYS 83 3HZ LYS 83 3.969 14.994 -11.792 673 H MET 84 H MET 84 2.355 8.605 -15.176 674 HA MET 84 HA MET 84 1.732 8.777 -18.075 675 1HB MET 84 1HB MET 84 3.421 7.076 -17.073 676 2HB MET 84 2HB MET 84 1.980 6.163 -16.527 677 1HG MET 84 1HG MET 84 1.263 5.862 -18.874 678 2HG MET 84 2HG MET 84 2.462 7.070 -19.440 679 1HE MET 84 1HE MET 84 3.597 3.511 -20.886 680 2HE MET 84 2HE MET 84 2.151 4.578 -20.898 681 3HE MET 84 3HE MET 84 3.764 5.231 -21.340 682 H ASN 85 H ASN 85 -0.427 8.415 -18.806 683 HA ASN 85 HA ASN 85 -2.497 7.820 -16.783 684 1HB ASN 85 1HB ASN 85 -4.163 8.540 -18.531 685 2HB ASN 85 2HB ASN 85 -3.037 9.831 -18.007 686 1HD2 ASN 85 1HD2 ASN 85 -4.440 8.541 -20.808 687 2HD2 ASN 85 2HD2 ASN 85 -3.166 8.893 -21.949 688 H PHE 86 H PHE 86 -4.266 6.209 -17.353 689 HA PHE 86 HA PHE 86 -3.071 3.804 -18.276 690 1HB PHE 86 1HB PHE 86 -4.896 4.120 -16.476 691 2HB PHE 86 2HB PHE 86 -6.079 4.318 -17.814 692 HD1 PHE 86 HD1 PHE 86 -3.187 1.901 -17.181 693 HD2 PHE 86 HD2 PHE 86 -7.410 2.403 -17.831 694 HE1 PHE 86 HE1 PHE 86 -3.492 -0.538 -17.093 695 HE2 PHE 86 HE2 PHE 86 -7.707 -0.047 -17.746 696 HZ PHE 86 HZ PHE 86 -5.745 -1.527 -17.393 697 H GLY 87 H GLY 87 -4.930 6.189 -20.165 698 1HA GLY 87 1HA GLY 87 -5.662 4.433 -22.327 699 2HA GLY 87 2HA GLY 87 -5.520 6.232 -22.345 700 H ASP 88 H ASP 88 -2.822 6.650 -21.738 701 HA ASP 88 HA ASP 88 -1.340 5.815 -24.007 702 1HB ASP 88 1HB ASP 88 -0.544 7.208 -21.396 703 2HB ASP 88 2HB ASP 88 0.683 6.713 -22.620 704 H PHE 89 H PHE 89 -1.096 4.631 -20.493 705 HA PHE 89 HA PHE 89 0.819 2.660 -20.918 706 1HB PHE 89 1HB PHE 89 -0.467 3.517 -18.754 707 2HB PHE 89 2HB PHE 89 -1.639 2.209 -19.108 708 HD1 PHE 89 HD1 PHE 89 2.139 2.599 -19.058 709 HD2 PHE 89 HD2 PHE 89 -1.270 0.436 -17.641 710 HE1 PHE 89 HE1 PHE 89 3.604 1.290 -17.571 711 HE2 PHE 89 HE2 PHE 89 0.205 -0.948 -16.210 712 HZ PHE 89 HZ PHE 89 2.633 -0.471 -16.123 713 H LEU 90 H LEU 90 -2.776 2.291 -21.561 714 HA LEU 90 HA LEU 90 -2.559 -0.486 -22.312 715 1HB LEU 90 1HB LEU 90 -4.699 1.651 -22.794 716 2HB LEU 90 2HB LEU 90 -4.859 0.005 -23.492 717 HG LEU 90 HG LEU 90 -4.544 0.505 -20.486 718 1HD1 LEU 90 1HD1 LEU 90 -6.599 1.635 -21.273 719 2HD1 LEU 90 2HD1 LEU 90 -7.122 0.146 -22.150 720 3HD1 LEU 90 3HD1 LEU 90 -7.028 0.148 -20.351 721 1HD2 LEU 90 1HD2 LEU 90 -5.448 -1.810 -20.276 722 2HD2 LEU 90 2HD2 LEU 90 -3.942 -1.818 -21.261 723 3HD2 LEU 90 3HD2 LEU 90 -5.540 -1.958 -22.071 724 H THR 91 H THR 91 -2.923 2.565 -24.440 725 HA THR 91 HA THR 91 -2.667 1.120 -26.851 726 HB THR 91 HB THR 91 -2.187 3.263 -27.985 727 HG1 THR 91 HG1 THR 91 -1.096 4.396 -26.459 728 1HG2 THR 91 1HG2 THR 91 -4.520 2.450 -27.522 729 2HG2 THR 91 2HG2 THR 91 -4.415 4.245 -27.458 730 3HG2 THR 91 3HG2 THR 91 -4.515 3.297 -25.932 731 H VAL 92 H VAL 92 -0.034 2.777 -24.923 732 HA VAL 92 HA VAL 92 2.041 2.182 -26.766 733 HB VAL 92 HB VAL 92 2.115 2.773 -23.780 734 1HG1 VAL 92 1HG1 VAL 92 4.198 1.562 -24.346 735 2HG1 VAL 92 2HG1 VAL 92 4.433 2.585 -25.815 736 3HG1 VAL 92 3HG1 VAL 92 4.544 3.316 -24.176 737 1HG2 VAL 92 1HG2 VAL 92 1.214 4.617 -25.274 738 2HG2 VAL 92 2HG2 VAL 92 2.828 5.038 -24.609 739 3HG2 VAL 92 3HG2 VAL 92 2.678 4.478 -26.314 740 H MET 93 H MET 93 1.284 0.277 -23.601 741 HA MET 93 HA MET 93 3.188 -1.689 -24.278 742 1HB MET 93 1HB MET 93 0.828 -1.782 -22.378 743 2HB MET 93 2HB MET 93 1.820 -3.241 -22.702 744 1HG MET 93 1HG MET 93 2.679 -2.257 -20.724 745 2HG MET 93 2HG MET 93 3.882 -2.107 -22.033 746 1HE MET 93 1HE MET 93 4.190 -0.764 -19.296 747 2HE MET 93 2HE MET 93 5.324 -0.644 -20.682 748 3HE MET 93 3HE MET 93 4.827 0.839 -19.800 749 H THR 94 H THR 94 -0.380 -1.779 -25.224 750 HA THR 94 HA THR 94 -0.220 -4.321 -26.467 751 HB THR 94 HB THR 94 -2.000 -2.018 -27.395 752 HG1 THR 94 HG1 THR 94 -2.383 -2.136 -25.304 753 1HG2 THR 94 1HG2 THR 94 -3.550 -3.938 -27.942 754 2HG2 THR 94 2HG2 THR 94 -2.305 -5.114 -27.381 755 3HG2 THR 94 3HG2 THR 94 -2.002 -4.102 -28.842 756 H GLN 95 H GLN 95 0.145 -1.005 -28.158 757 HA GLN 95 HA GLN 95 0.783 -2.198 -30.660 758 1HB GLN 95 1HB GLN 95 -0.146 0.123 -30.259 759 2HB GLN 95 2HB GLN 95 1.466 0.618 -29.649 760 1HG GLN 95 1HG GLN 95 2.450 0.105 -31.936 761 2HG GLN 95 2HG GLN 95 0.809 -0.397 -32.504 762 1HE2 GLN 95 1HE2 GLN 95 1.626 1.490 -34.061 763 2HE2 GLN 95 2HE2 GLN 95 1.071 3.083 -33.649 764 H LYS 96 H LYS 96 3.084 -1.070 -28.008 765 HA LYS 96 HA LYS 96 5.415 -1.531 -29.625 766 1HB LYS 96 1HB LYS 96 5.335 -1.584 -26.582 767 2HB LYS 96 2HB LYS 96 6.791 -1.449 -27.622 768 1HG LYS 96 1HG LYS 96 4.574 0.655 -27.256 769 2HG LYS 96 2HG LYS 96 6.218 0.674 -26.562 770 1HD LYS 96 1HD LYS 96 7.166 1.007 -28.847 771 2HD LYS 96 2HD LYS 96 5.494 0.973 -29.535 772 1HE LYS 96 1HE LYS 96 4.848 2.913 -28.032 773 2HE LYS 96 2HE LYS 96 6.537 2.969 -27.395 774 1HZ LYS 96 1HZ LYS 96 6.204 4.633 -28.977 775 2HZ LYS 96 2HZ LYS 96 7.271 3.499 -29.653 776 3HZ LYS 96 3HZ LYS 96 5.646 3.547 -30.174 777 H MET 97 H MET 97 3.599 -3.821 -27.350 778 HA MET 97 HA MET 97 5.589 -5.892 -27.716 779 1HB MET 97 1HB MET 97 2.765 -6.021 -26.557 780 2HB MET 97 2HB MET 97 3.928 -7.394 -26.571 781 1HG MET 97 1HG MET 97 5.530 -6.123 -25.185 782 2HG MET 97 2HG MET 97 4.478 -4.682 -25.223 783 1HE MET 97 1HE MET 97 4.240 -5.628 -21.506 784 2HE MET 97 2HE MET 97 4.520 -4.350 -22.743 785 3HE MET 97 3HE MET 97 5.656 -5.731 -22.612 786 H SER 98 H SER 98 2.076 -5.731 -28.919 787 HA SER 98 HA SER 98 2.502 -8.053 -30.583 788 1HB SER 98 1HB SER 98 0.102 -6.141 -30.418 789 2HB SER 98 2HB SER 98 0.123 -7.762 -31.221 790 HG SER 98 HG SER 98 -0.739 -7.770 -29.105 Start of MODEL 7 1 1H MET 1 1H MET 1 22.089 -34.794 -22.475 2 2H MET 1 2H MET 1 20.649 -34.593 -23.343 3 3H MET 1 3H MET 1 21.628 -35.960 -23.626 4 HA MET 1 HA MET 1 23.383 -34.495 -24.419 5 1HB MET 1 1HB MET 1 20.691 -34.087 -25.872 6 2HB MET 1 2HB MET 1 22.312 -33.804 -26.591 7 1HG MET 1 1HG MET 1 22.883 -36.221 -26.259 8 2HG MET 1 2HG MET 1 21.238 -36.521 -25.611 9 1HE MET 1 1HE MET 1 20.935 -38.454 -27.263 10 2HE MET 1 2HE MET 1 22.583 -38.151 -27.915 11 3HE MET 1 3HE MET 1 21.195 -38.349 -29.037 12 H ALA 2 H ALA 2 24.215 -32.311 -24.814 13 HA ALA 2 HA ALA 2 22.870 -30.192 -23.351 14 1HB ALA 2 1HB ALA 2 24.872 -28.815 -23.874 15 2HB ALA 2 2HB ALA 2 25.341 -30.402 -23.169 16 3HB ALA 2 3HB ALA 2 25.494 -30.126 -24.944 17 H SER 3 H SER 3 21.128 -29.141 -24.402 18 HA SER 3 HA SER 3 21.644 -27.640 -26.801 19 1HB SER 3 1HB SER 3 19.610 -29.960 -26.887 20 2HB SER 3 2HB SER 3 19.550 -28.564 -28.029 21 HG SER 3 HG SER 3 21.924 -30.024 -27.676 22 H ASN 4 H ASN 4 20.695 -25.658 -26.284 23 HA ASN 4 HA ASN 4 18.621 -25.569 -24.249 24 1HB ASN 4 1HB ASN 4 20.527 -23.937 -24.222 25 2HB ASN 4 2HB ASN 4 19.929 -23.246 -25.771 26 1HD2 ASN 4 1HD2 ASN 4 19.319 -21.176 -25.011 27 2HD2 ASN 4 2HD2 ASN 4 18.129 -20.890 -23.787 28 H PHE 5 H PHE 5 16.744 -26.505 -25.308 29 HA PHE 5 HA PHE 5 15.671 -25.329 -27.728 30 1HB PHE 5 1HB PHE 5 14.303 -27.226 -25.715 31 2HB PHE 5 2HB PHE 5 13.680 -26.797 -27.353 32 HD1 PHE 5 HD1 PHE 5 15.329 -27.231 -29.359 33 HD2 PHE 5 HD2 PHE 5 15.688 -29.114 -25.508 34 HE1 PHE 5 HE1 PHE 5 16.659 -29.052 -30.370 35 HE2 PHE 5 HE2 PHE 5 17.010 -30.937 -26.525 36 HZ PHE 5 HZ PHE 5 17.500 -30.911 -28.959 37 H LYS 6 H LYS 6 15.026 -23.152 -27.540 38 HA LYS 6 HA LYS 6 13.152 -22.452 -25.370 39 1HB LYS 6 1HB LYS 6 15.758 -21.889 -25.021 40 2HB LYS 6 2HB LYS 6 15.414 -20.523 -26.099 41 1HG LYS 6 1HG LYS 6 15.256 -19.802 -23.772 42 2HG LYS 6 2HG LYS 6 13.620 -19.731 -24.510 43 1HD LYS 6 1HD LYS 6 13.553 -20.586 -22.192 44 2HD LYS 6 2HD LYS 6 12.957 -21.813 -23.355 45 1HE LYS 6 1HE LYS 6 15.218 -22.997 -23.229 46 2HE LYS 6 2HE LYS 6 15.752 -21.775 -22.007 47 1HZ LYS 6 1HZ LYS 6 14.989 -23.787 -21.005 48 2HZ LYS 6 2HZ LYS 6 13.476 -23.674 -21.763 49 3HZ LYS 6 3HZ LYS 6 13.930 -22.523 -20.596 50 H LYS 7 H LYS 7 14.671 -20.898 -28.380 51 HA LYS 7 HA LYS 7 12.319 -19.211 -28.641 52 1HB LYS 7 1HB LYS 7 14.629 -18.383 -29.152 53 2HB LYS 7 2HB LYS 7 14.707 -19.523 -30.535 54 1HG LYS 7 1HG LYS 7 12.737 -18.327 -31.584 55 2HG LYS 7 2HG LYS 7 12.700 -17.194 -30.190 56 1HD LYS 7 1HD LYS 7 14.995 -16.405 -30.759 57 2HD LYS 7 2HD LYS 7 15.089 -17.610 -32.097 58 1HE LYS 7 1HE LYS 7 13.169 -16.482 -33.269 59 2HE LYS 7 2HE LYS 7 13.071 -15.260 -31.938 60 1HZ LYS 7 1HZ LYS 7 14.275 -14.455 -33.830 61 2HZ LYS 7 2HZ LYS 7 15.309 -14.568 -32.488 62 3HZ LYS 7 3HZ LYS 7 15.399 -15.722 -33.733 63 H ALA 8 H ALA 8 10.581 -20.797 -29.021 64 HA ALA 8 HA ALA 8 10.678 -22.481 -31.388 65 1HB ALA 8 1HB ALA 8 9.469 -23.282 -29.373 66 2HB ALA 8 2HB ALA 8 8.338 -21.886 -29.492 67 3HB ALA 8 3HB ALA 8 8.358 -23.148 -30.782 68 H ASN 9 H ASN 9 10.975 -20.822 -33.103 69 HA ASN 9 HA ASN 9 8.452 -19.427 -33.862 70 1HB ASN 9 1HB ASN 9 11.328 -18.336 -34.097 71 2HB ASN 9 2HB ASN 9 9.918 -17.636 -34.963 72 1HD2 ASN 9 1HD2 ASN 9 8.527 -18.486 -32.013 73 2HD2 ASN 9 2HD2 ASN 9 8.746 -16.966 -31.211 74 H MET 10 H MET 10 7.807 -20.939 -35.467 75 HA MET 10 HA MET 10 9.512 -21.035 -37.870 76 1HB MET 10 1HB MET 10 9.961 -23.148 -36.593 77 2HB MET 10 2HB MET 10 8.216 -23.545 -36.641 78 1HG MET 10 1HG MET 10 8.343 -23.605 -39.172 79 2HG MET 10 2HG MET 10 10.081 -23.186 -39.074 80 1HE MET 10 1HE MET 10 10.097 -26.844 -40.386 81 2HE MET 10 2HE MET 10 10.635 -25.146 -40.622 82 3HE MET 10 3HE MET 10 8.887 -25.557 -40.719 83 H ALA 11 H ALA 11 6.338 -22.705 -37.002 84 HA ALA 11 HA ALA 11 5.182 -21.638 -39.451 85 1HB ALA 11 1HB ALA 11 4.753 -24.001 -38.884 86 2HB ALA 11 2HB ALA 11 3.974 -23.502 -37.339 87 3HB ALA 11 3HB ALA 11 3.214 -23.068 -38.917 88 H SER 12 H SER 12 4.948 -19.327 -39.031 89 HA SER 12 HA SER 12 3.868 -18.237 -36.700 90 1HB SER 12 1HB SER 12 3.569 -16.123 -38.164 91 2HB SER 12 2HB SER 12 5.215 -16.842 -38.078 92 HG SER 12 HG SER 12 4.587 -16.340 -40.195 93 H SER 13 H SER 13 1.994 -18.509 -39.889 94 HA SER 13 HA SER 13 -0.508 -18.075 -38.451 95 1HB SER 13 1HB SER 13 -1.563 -18.498 -40.735 96 2HB SER 13 2HB SER 13 -0.399 -17.128 -40.655 97 HG SER 13 HG SER 13 0.035 -19.726 -41.665 98 H SER 14 H SER 14 0.108 -20.093 -36.962 99 HA SER 14 HA SER 14 -0.544 -22.686 -38.154 100 1HB SER 14 1HB SER 14 0.141 -21.887 -35.270 101 2HB SER 14 2HB SER 14 -0.343 -23.558 -35.752 102 HG SER 14 HG SER 14 1.935 -22.098 -36.571 103 H GLN 15 H GLN 15 -2.792 -21.804 -38.842 104 HA GLN 15 HA GLN 15 -4.797 -21.940 -36.647 105 1HB GLN 15 1HB GLN 15 -4.870 -20.730 -39.446 106 2HB GLN 15 2HB GLN 15 -6.376 -21.138 -38.566 107 1HG GLN 15 1HG GLN 15 -5.969 -18.811 -38.231 108 2HG GLN 15 2HG GLN 15 -5.765 -19.664 -36.668 109 1HE2 GLN 15 1HE2 GLN 15 -3.702 -19.595 -35.631 110 2HE2 GLN 15 2HE2 GLN 15 -2.391 -18.621 -36.197 111 H ARG 16 H ARG 16 -4.318 -24.390 -36.588 112 HA ARG 16 HA ARG 16 -5.247 -25.883 -38.935 113 1HB ARG 16 1HB ARG 16 -3.054 -26.387 -37.793 114 2HB ARG 16 2HB ARG 16 -3.978 -26.997 -36.386 115 1HG ARG 16 1HG ARG 16 -5.078 -28.708 -37.890 116 2HG ARG 16 2HG ARG 16 -4.134 -28.089 -39.283 117 1HD ARG 16 1HD ARG 16 -2.943 -29.336 -36.700 118 2HD ARG 16 2HD ARG 16 -3.147 -30.188 -38.295 119 HE ARG 16 HE ARG 16 -1.695 -27.792 -38.795 120 1HH1 ARG 16 1HH1 ARG 16 -1.253 -30.873 -37.015 121 2HH1 ARG 16 2HH1 ARG 16 0.452 -30.911 -37.197 122 1HH2 ARG 16 1HH2 ARG 16 0.659 -27.850 -39.039 123 2HH2 ARG 16 2HH2 ARG 16 1.565 -29.146 -38.378 124 H LYS 17 H LYS 17 -7.598 -25.233 -38.552 125 HA LYS 17 HA LYS 17 -8.943 -27.399 -37.160 126 1HB LYS 17 1HB LYS 17 -8.708 -25.548 -35.424 127 2HB LYS 17 2HB LYS 17 -9.686 -24.482 -36.463 128 1HG LYS 17 1HG LYS 17 -11.580 -26.242 -36.282 129 2HG LYS 17 2HG LYS 17 -10.555 -27.134 -35.120 130 1HD LYS 17 1HD LYS 17 -11.633 -24.248 -34.833 131 2HD LYS 17 2HD LYS 17 -12.297 -25.700 -34.021 132 1HE LYS 17 1HE LYS 17 -9.501 -24.445 -33.525 133 2HE LYS 17 2HE LYS 17 -10.937 -24.367 -32.433 134 1HZ LYS 17 1HZ LYS 17 -9.483 -26.832 -33.242 135 2HZ LYS 17 2HZ LYS 17 -9.373 -26.034 -31.748 136 3HZ LYS 17 3HZ LYS 17 -10.834 -26.762 -32.213 137 H ARG 18 H ARG 18 -10.927 -24.580 -37.877 138 HA ARG 18 HA ARG 18 -11.039 -24.934 -40.737 139 1HB ARG 18 1HB ARG 18 -12.730 -26.660 -40.027 140 2HB ARG 18 2HB ARG 18 -13.599 -25.425 -39.070 141 1HG ARG 18 1HG ARG 18 -14.035 -24.139 -41.219 142 2HG ARG 18 2HG ARG 18 -13.167 -25.428 -42.130 143 1HD ARG 18 1HD ARG 18 -14.893 -27.111 -41.411 144 2HD ARG 18 2HD ARG 18 -15.746 -25.821 -40.450 145 HE ARG 18 HE ARG 18 -15.386 -24.933 -43.175 146 1HH1 ARG 18 1HH1 ARG 18 -17.287 -27.307 -41.271 147 2HH1 ARG 18 2HH1 ARG 18 -18.626 -27.321 -42.345 148 1HH2 ARG 18 1HH2 ARG 18 -17.237 -24.958 -44.644 149 2HH2 ARG 18 2HH2 ARG 18 -18.594 -25.950 -44.312 150 H MET 19 H MET 19 -13.596 -23.524 -38.524 151 HA MET 19 HA MET 19 -12.835 -20.801 -39.295 152 1HB MET 19 1HB MET 19 -14.967 -21.779 -37.308 153 2HB MET 19 2HB MET 19 -14.727 -20.079 -37.845 154 1HG MET 19 1HG MET 19 -15.247 -20.750 -40.197 155 2HG MET 19 2HG MET 19 -15.482 -22.446 -39.673 156 1HE MET 19 1HE MET 19 -17.505 -20.898 -41.417 157 2HE MET 19 2HE MET 19 -19.058 -21.404 -40.670 158 3HE MET 19 3HE MET 19 -17.717 -22.588 -40.838 159 H SER 20 H SER 20 -11.012 -19.972 -38.244 160 HA SER 20 HA SER 20 -10.389 -20.949 -35.503 161 1HB SER 20 1HB SER 20 -8.444 -20.037 -37.682 162 2HB SER 20 2HB SER 20 -8.020 -20.682 -36.048 163 HG SER 20 HG SER 20 -9.269 -21.978 -38.235 164 HA PRO 21 HA PRO 21 -10.893 -16.355 -34.859 165 1HB PRO 21 1HB PRO 21 -10.964 -17.437 -31.975 166 2HB PRO 21 2HB PRO 21 -11.928 -16.064 -32.662 167 1HG PRO 21 1HG PRO 21 -13.092 -18.510 -32.360 168 2HG PRO 21 2HG PRO 21 -13.331 -17.609 -33.916 169 1HD PRO 21 1HD PRO 21 -11.376 -19.915 -33.356 170 2HD PRO 21 2HD PRO 21 -12.455 -19.625 -34.799 171 H LYS 22 H LYS 22 -9.379 -14.708 -34.311 172 HA LYS 22 HA LYS 22 -6.851 -15.581 -33.016 173 1HB LYS 22 1HB LYS 22 -7.116 -13.664 -35.386 174 2HB LYS 22 2HB LYS 22 -5.600 -14.092 -34.514 175 1HG LYS 22 1HG LYS 22 -5.986 -16.528 -35.168 176 2HG LYS 22 2HG LYS 22 -7.428 -16.013 -36.100 177 1HD LYS 22 1HD LYS 22 -5.659 -16.348 -37.643 178 2HD LYS 22 2HD LYS 22 -5.957 -14.576 -37.563 179 1HE LYS 22 1HE LYS 22 -3.901 -14.225 -36.232 180 2HE LYS 22 2HE LYS 22 -3.704 -16.007 -35.980 181 1HZ LYS 22 1HZ LYS 22 -2.248 -15.107 -37.677 182 2HZ LYS 22 2HZ LYS 22 -3.301 -16.297 -38.285 183 3HZ LYS 22 3HZ LYS 22 -3.583 -14.649 -38.621 184 HA PRO 23 HA PRO 23 -8.646 -11.771 -30.988 185 1HB PRO 23 1HB PRO 23 -8.511 -12.436 -28.284 186 2HB PRO 23 2HB PRO 23 -9.791 -13.049 -29.398 187 1HG PRO 23 1HG PRO 23 -7.184 -14.459 -28.597 188 2HG PRO 23 2HG PRO 23 -8.871 -15.123 -28.539 189 1HD PRO 23 1HD PRO 23 -7.170 -15.611 -30.679 190 2HD PRO 23 2HD PRO 23 -8.952 -15.321 -30.948 191 H GLU 24 H GLU 24 -7.515 -9.965 -30.846 192 HA GLU 24 HA GLU 24 -4.822 -9.839 -29.762 193 1HB GLU 24 1HB GLU 24 -4.923 -7.399 -30.312 194 2HB GLU 24 2HB GLU 24 -5.081 -8.496 -31.714 195 1HG GLU 24 1HG GLU 24 -7.533 -7.196 -30.351 196 2HG GLU 24 2HG GLU 24 -6.610 -6.424 -31.686 197 H LEU 25 H LEU 25 -4.261 -9.225 -27.716 198 HA LEU 25 HA LEU 25 -4.419 -8.776 -25.512 199 1HB LEU 25 1HB LEU 25 -6.877 -7.072 -26.136 200 2HB LEU 25 2HB LEU 25 -6.294 -7.351 -24.471 201 HG LEU 25 HG LEU 25 -4.604 -6.037 -26.667 202 1HD1 LEU 25 1HD1 LEU 25 -6.622 -4.686 -26.117 203 2HD1 LEU 25 2HD1 LEU 25 -6.237 -4.790 -24.358 204 3HD1 LEU 25 3HD1 LEU 25 -5.144 -3.891 -25.471 205 1HD2 LEU 25 1HD2 LEU 25 -3.198 -5.307 -24.651 206 2HD2 LEU 25 2HD2 LEU 25 -4.201 -6.375 -23.615 207 3HD2 LEU 25 3HD2 LEU 25 -3.181 -7.081 -24.926 208 H THR 26 H THR 26 -4.735 -10.763 -24.565 209 HA THR 26 HA THR 26 -7.537 -11.761 -24.267 210 HB THR 26 HB THR 26 -6.507 -14.009 -23.903 211 HG1 THR 26 HG1 THR 26 -4.123 -12.692 -24.740 212 1HG2 THR 26 1HG2 THR 26 -5.692 -12.625 -26.551 213 2HG2 THR 26 2HG2 THR 26 -7.324 -13.269 -26.154 214 3HG2 THR 26 3HG2 THR 26 -5.919 -14.388 -26.272 215 H GLU 27 H GLU 27 -6.759 -13.620 -22.110 216 HA GLU 27 HA GLU 27 -7.518 -11.898 -20.032 217 1HB GLU 27 1HB GLU 27 -8.279 -14.280 -20.373 218 2HB GLU 27 2HB GLU 27 -6.670 -14.831 -19.808 219 1HG GLU 27 1HG GLU 27 -8.353 -15.008 -18.017 220 2HG GLU 27 2HG GLU 27 -7.121 -13.782 -17.551 221 H GLU 28 H GLU 28 -4.362 -13.751 -20.359 222 HA GLU 28 HA GLU 28 -3.098 -12.858 -18.040 223 1HB GLU 28 1HB GLU 28 -2.291 -14.651 -19.556 224 2HB GLU 28 2HB GLU 28 -1.868 -13.423 -20.794 225 1HG GLU 28 1HG GLU 28 -0.114 -12.472 -19.294 226 2HG GLU 28 2HG GLU 28 -0.633 -13.571 -17.958 227 H GLN 29 H GLN 29 -2.834 -11.254 -21.352 228 HA GLN 29 HA GLN 29 -1.351 -9.016 -20.580 229 1HB GLN 29 1HB GLN 29 -3.529 -9.264 -22.723 230 2HB GLN 29 2HB GLN 29 -2.300 -7.947 -22.661 231 1HG GLN 29 1HG GLN 29 -0.460 -9.511 -23.061 232 2HG GLN 29 2HG GLN 29 -1.519 -10.941 -22.840 233 1HE2 GLN 29 1HE2 GLN 29 -0.396 -8.580 -25.169 234 2HE2 GLN 29 2HE2 GLN 29 -1.341 -9.133 -26.507 235 H LYS 30 H LYS 30 -4.990 -9.214 -20.747 236 HA LYS 30 HA LYS 30 -5.760 -6.728 -19.785 237 1HB LYS 30 1HB LYS 30 -7.311 -8.411 -20.661 238 2HB LYS 30 2HB LYS 30 -6.811 -9.561 -19.393 239 1HG LYS 30 1HG LYS 30 -7.920 -8.038 -17.658 240 2HG LYS 30 2HG LYS 30 -8.631 -7.113 -19.029 241 1HD LYS 30 1HD LYS 30 -9.790 -9.153 -19.825 242 2HD LYS 30 2HD LYS 30 -8.765 -10.169 -18.757 243 1HE LYS 30 1HE LYS 30 -9.857 -9.002 -16.726 244 2HE LYS 30 2HE LYS 30 -11.095 -8.355 -17.882 245 1HZ LYS 30 1HZ LYS 30 -11.762 -10.450 -16.870 246 2HZ LYS 30 2HZ LYS 30 -11.516 -10.680 -18.541 247 3HZ LYS 30 3HZ LYS 30 -10.343 -11.207 -17.441 248 H GLN 31 H GLN 31 -5.171 -9.678 -17.607 249 HA GLN 31 HA GLN 31 -5.400 -8.107 -15.242 250 1HB GLN 31 1HB GLN 31 -4.618 -9.968 -13.938 251 2HB GLN 31 2HB GLN 31 -5.857 -10.485 -15.128 252 1HG GLN 31 1HG GLN 31 -4.047 -11.394 -16.618 253 2HG GLN 31 2HG GLN 31 -2.803 -10.939 -15.405 254 1HE2 GLN 31 1HE2 GLN 31 -3.290 -11.801 -13.074 255 2HE2 GLN 31 2HE2 GLN 31 -3.885 -13.427 -12.965 256 H GLU 32 H GLU 32 -2.285 -9.047 -17.074 257 HA GLU 32 HA GLU 32 -0.469 -8.034 -15.227 258 1HB GLU 32 1HB GLU 32 -0.427 -7.859 -18.283 259 2HB GLU 32 2HB GLU 32 0.974 -7.377 -17.261 260 1HG GLU 32 1HG GLU 32 1.211 -9.645 -16.354 261 2HG GLU 32 2HG GLU 32 -0.225 -10.220 -17.270 262 H ILE 33 H ILE 33 -2.081 -6.010 -17.823 263 HA ILE 33 HA ILE 33 -0.757 -3.604 -16.937 264 HB ILE 33 HB ILE 33 -3.159 -4.089 -18.769 265 1HG1 ILE 33 1HG1 ILE 33 -1.240 -5.376 -19.603 266 2HG1 ILE 33 2HG1 ILE 33 -1.541 -3.964 -20.644 267 1HG2 ILE 33 1HG2 ILE 33 -1.268 -1.659 -18.666 268 2HG2 ILE 33 2HG2 ILE 33 -2.607 -1.919 -19.835 269 3HG2 ILE 33 3HG2 ILE 33 -2.978 -1.675 -18.096 270 1HD1 ILE 33 1HD1 ILE 33 0.716 -4.222 -18.542 271 2HD1 ILE 33 2HD1 ILE 33 0.399 -2.753 -19.539 272 3HD1 ILE 33 3HD1 ILE 33 0.883 -4.294 -20.328 273 H ARG 34 H ARG 34 -4.253 -4.828 -16.314 274 HA ARG 34 HA ARG 34 -4.817 -2.477 -14.745 275 1HB ARG 34 1HB ARG 34 -6.671 -3.908 -15.714 276 2HB ARG 34 2HB ARG 34 -6.176 -5.205 -14.586 277 1HG ARG 34 1HG ARG 34 -7.964 -4.313 -13.455 278 2HG ARG 34 2HG ARG 34 -6.643 -3.417 -12.668 279 1HD ARG 34 1HD ARG 34 -8.653 -2.423 -14.791 280 2HD ARG 34 2HD ARG 34 -8.526 -1.911 -13.067 281 HE ARG 34 HE ARG 34 -6.560 -1.284 -15.288 282 1HH1 ARG 34 1HH1 ARG 34 -7.839 -0.309 -12.013 283 2HH1 ARG 34 2HH1 ARG 34 -7.499 1.337 -12.273 284 1HH2 ARG 34 1HH2 ARG 34 -6.009 0.978 -15.495 285 2HH2 ARG 34 2HH2 ARG 34 -6.369 2.072 -14.222 286 H GLU 35 H GLU 35 -3.649 -5.881 -13.664 287 HA GLU 35 HA GLU 35 -3.615 -5.331 -10.939 288 1HB GLU 35 1HB GLU 35 -3.201 -7.536 -11.954 289 2HB GLU 35 2HB GLU 35 -1.590 -7.017 -12.513 290 1HG GLU 35 1HG GLU 35 -2.304 -6.845 -9.518 291 2HG GLU 35 2HG GLU 35 -2.024 -8.460 -10.262 292 H ALA 36 H ALA 36 -0.813 -4.522 -13.261 293 HA ALA 36 HA ALA 36 0.681 -3.227 -11.224 294 1HB ALA 36 1HB ALA 36 0.696 -2.694 -14.254 295 2HB ALA 36 2HB ALA 36 1.965 -2.155 -13.083 296 3HB ALA 36 3HB ALA 36 1.695 -3.909 -13.384 297 H PHE 37 H PHE 37 -1.449 -1.580 -13.781 298 HA PHE 37 HA PHE 37 -0.949 1.013 -12.753 299 1HB PHE 37 1HB PHE 37 -1.938 0.282 -15.085 300 2HB PHE 37 2HB PHE 37 -3.533 0.277 -14.272 301 HD1 PHE 37 HD1 PHE 37 -0.842 2.272 -15.699 302 HD2 PHE 37 HD2 PHE 37 -4.324 2.504 -13.184 303 HE1 PHE 37 HE1 PHE 37 -0.982 4.688 -16.117 304 HE2 PHE 37 HE2 PHE 37 -4.400 4.951 -13.533 305 HZ PHE 37 HZ PHE 37 -2.704 6.042 -14.980 306 H ASP 38 H ASP 38 -3.863 -1.182 -12.108 307 HA ASP 38 HA ASP 38 -5.187 0.587 -10.326 308 1HB ASP 38 1HB ASP 38 -5.910 -1.661 -11.526 309 2HB ASP 38 2HB ASP 38 -5.253 -2.479 -10.080 310 H LEU 39 H LEU 39 -2.455 -1.852 -9.607 311 HA LEU 39 HA LEU 39 -2.522 -1.610 -6.816 312 1HB LEU 39 1HB LEU 39 -0.266 -2.193 -8.756 313 2HB LEU 39 2HB LEU 39 0.156 -1.838 -7.054 314 HG LEU 39 HG LEU 39 -1.806 -4.046 -7.864 315 1HD1 LEU 39 1HD1 LEU 39 0.067 -5.634 -7.415 316 2HD1 LEU 39 2HD1 LEU 39 0.451 -4.528 -8.780 317 3HD1 LEU 39 3HD1 LEU 39 1.195 -4.249 -7.161 318 1HD2 LEU 39 1HD2 LEU 39 -1.402 -4.897 -5.543 319 2HD2 LEU 39 2HD2 LEU 39 -0.397 -3.443 -5.182 320 3HD2 LEU 39 3HD2 LEU 39 -2.158 -3.267 -5.526 321 H PHE 40 H PHE 40 -0.742 0.571 -9.152 322 HA PHE 40 HA PHE 40 0.003 2.326 -6.946 323 1HB PHE 40 1HB PHE 40 0.453 2.676 -9.950 324 2HB PHE 40 2HB PHE 40 1.157 3.715 -8.639 325 HD1 PHE 40 HD1 PHE 40 2.368 2.379 -6.681 326 HD2 PHE 40 HD2 PHE 40 1.680 0.737 -10.593 327 HE1 PHE 40 HE1 PHE 40 4.128 0.694 -6.287 328 HE2 PHE 40 HE2 PHE 40 3.417 -0.963 -10.184 329 HZ PHE 40 HZ PHE 40 4.656 -0.987 -8.036 330 H ASP 41 H ASP 41 -2.436 2.614 -9.688 331 HA ASP 41 HA ASP 41 -3.542 5.017 -8.435 332 1HB ASP 41 1HB ASP 41 -3.402 4.840 -10.947 333 2HB ASP 41 2HB ASP 41 -4.617 3.518 -10.885 334 H ALA 42 H ALA 42 -4.046 3.932 -6.357 335 HA ALA 42 HA ALA 42 -5.689 1.627 -6.223 336 1HB ALA 42 1HB ALA 42 -4.128 2.278 -4.399 337 2HB ALA 42 2HB ALA 42 -5.800 2.042 -3.774 338 3HB ALA 42 3HB ALA 42 -5.158 3.711 -4.028 339 H ASP 43 H ASP 43 -6.626 5.093 -5.754 340 HA ASP 43 HA ASP 43 -9.363 4.486 -5.091 341 1HB ASP 43 1HB ASP 43 -8.013 7.146 -5.845 342 2HB ASP 43 2HB ASP 43 -9.698 6.989 -5.220 343 H GLY 44 H GLY 44 -7.739 5.161 -8.252 344 1HA GLY 44 1HA GLY 44 -8.672 4.951 -10.317 345 2HA GLY 44 2HA GLY 44 -10.331 5.121 -9.634 346 H THR 45 H THR 45 -7.258 6.959 -10.219 347 HA THR 45 HA THR 45 -8.877 9.434 -10.421 348 HB THR 45 HB THR 45 -7.696 9.181 -8.245 349 HG1 THR 45 HG1 THR 45 -7.132 11.345 -9.961 350 1HG2 THR 45 1HG2 THR 45 -5.550 8.152 -9.077 351 2HG2 THR 45 2HG2 THR 45 -5.124 9.695 -9.899 352 3HG2 THR 45 3HG2 THR 45 -5.276 9.636 -8.109 353 H GLY 46 H GLY 46 -5.908 7.824 -12.025 354 1HA GLY 46 1HA GLY 46 -6.296 8.839 -14.421 355 2HA GLY 46 2HA GLY 46 -5.630 10.301 -13.617 356 H THR 47 H THR 47 -3.417 9.840 -12.405 357 HA THR 47 HA THR 47 -1.734 8.516 -14.433 358 HB THR 47 HB THR 47 0.032 10.164 -14.071 359 HG1 THR 47 HG1 THR 47 -0.169 11.199 -12.304 360 1HG2 THR 47 1HG2 THR 47 -1.091 11.987 -15.333 361 2HG2 THR 47 2HG2 THR 47 -1.646 10.381 -15.926 362 3HG2 THR 47 3HG2 THR 47 -2.715 11.367 -14.858 363 H ILE 48 H ILE 48 0.030 7.365 -13.944 364 HA ILE 48 HA ILE 48 0.727 6.881 -11.087 365 HB ILE 48 HB ILE 48 0.092 4.776 -12.115 366 1HG1 ILE 48 1HG1 ILE 48 3.152 5.129 -11.930 367 2HG1 ILE 48 2HG1 ILE 48 2.014 4.660 -10.629 368 1HG2 ILE 48 1HG2 ILE 48 2.060 5.386 -14.411 369 2HG2 ILE 48 2HG2 ILE 48 1.011 3.939 -14.231 370 3HG2 ILE 48 3HG2 ILE 48 0.281 5.541 -14.515 371 1HD1 ILE 48 1HD1 ILE 48 2.782 3.017 -13.142 372 2HD1 ILE 48 2HD1 ILE 48 1.474 2.544 -11.996 373 3HD1 ILE 48 3HD1 ILE 48 3.188 2.663 -11.429 374 H ASP 49 H ASP 49 2.576 8.005 -10.525 375 HA ASP 49 HA ASP 49 4.005 9.414 -12.683 376 1HB ASP 49 1HB ASP 49 3.749 10.076 -9.715 377 2HB ASP 49 2HB ASP 49 4.775 10.995 -10.878 378 H VAL 50 H VAL 50 6.355 9.920 -12.428 379 HA VAL 50 HA VAL 50 7.860 7.764 -12.770 380 HB VAL 50 HB VAL 50 9.964 9.170 -12.174 381 1HG1 VAL 50 1HG1 VAL 50 9.569 10.425 -14.330 382 2HG1 VAL 50 2HG1 VAL 50 9.199 8.665 -14.426 383 3HG1 VAL 50 3HG1 VAL 50 7.857 9.850 -14.311 384 1HG2 VAL 50 1HG2 VAL 50 9.525 11.589 -11.992 385 2HG2 VAL 50 2HG2 VAL 50 7.749 11.340 -12.008 386 3HG2 VAL 50 3HG2 VAL 50 8.729 10.746 -10.614 387 H LYS 51 H LYS 51 7.558 8.874 -9.272 388 HA LYS 51 HA LYS 51 9.580 7.092 -8.329 389 1HB LYS 51 1HB LYS 51 6.988 7.723 -6.827 390 2HB LYS 51 2HB LYS 51 8.568 7.263 -6.128 391 1HG LYS 51 1HG LYS 51 9.483 9.487 -6.674 392 2HG LYS 51 2HG LYS 51 8.066 9.875 -7.711 393 1HD LYS 51 1HD LYS 51 6.550 9.628 -5.728 394 2HD LYS 51 2HD LYS 51 8.005 9.530 -4.668 395 1HE LYS 51 1HE LYS 51 8.695 11.834 -5.379 396 2HE LYS 51 2HE LYS 51 7.348 11.884 -6.589 397 1HZ LYS 51 1HZ LYS 51 7.028 11.689 -3.638 398 2HZ LYS 51 2HZ LYS 51 6.800 13.072 -4.597 399 3HZ LYS 51 3HZ LYS 51 5.779 11.732 -4.787 400 H GLU 52 H GLU 52 5.991 6.626 -8.323 401 HA GLU 52 HA GLU 52 5.971 3.839 -7.807 402 1HB GLU 52 1HB GLU 52 3.668 5.247 -9.250 403 2HB GLU 52 2HB GLU 52 3.636 3.942 -8.039 404 1HG GLU 52 1HG GLU 52 2.843 5.723 -6.777 405 2HG GLU 52 2HG GLU 52 4.597 5.854 -6.391 406 H LEU 53 H LEU 53 5.626 5.725 -10.955 407 HA LEU 53 HA LEU 53 5.286 3.480 -12.631 408 1HB LEU 53 1HB LEU 53 4.900 5.913 -13.218 409 2HB LEU 53 2HB LEU 53 6.673 6.135 -13.273 410 HG LEU 53 HG LEU 53 6.821 4.532 -15.179 411 1HD1 LEU 53 1HD1 LEU 53 3.753 4.370 -14.931 412 2HD1 LEU 53 2HD1 LEU 53 4.685 3.815 -16.358 413 3HD1 LEU 53 3HD1 LEU 53 4.930 3.014 -14.769 414 1HD2 LEU 53 1HD2 LEU 53 6.567 6.965 -15.596 415 2HD2 LEU 53 2HD2 LEU 53 5.720 6.016 -16.873 416 3HD2 LEU 53 3HD2 LEU 53 4.775 6.809 -15.554 417 H LYS 54 H LYS 54 8.510 4.974 -11.498 418 HA LYS 54 HA LYS 54 10.163 3.290 -13.016 419 1HB LYS 54 1HB LYS 54 10.953 5.271 -11.759 420 2HB LYS 54 2HB LYS 54 10.697 4.399 -10.212 421 1HG LYS 54 1HG LYS 54 12.467 2.742 -10.874 422 2HG LYS 54 2HG LYS 54 12.627 3.551 -12.474 423 1HD LYS 54 1HD LYS 54 13.336 5.663 -11.330 424 2HD LYS 54 2HD LYS 54 13.193 4.842 -9.732 425 1HE LYS 54 1HE LYS 54 14.999 3.212 -10.399 426 2HE LYS 54 2HE LYS 54 15.131 4.020 -12.015 427 1HZ LYS 54 1HZ LYS 54 16.812 4.764 -10.491 428 2HZ LYS 54 2HZ LYS 54 15.650 5.290 -9.373 429 3HZ LYS 54 3HZ LYS 54 15.774 6.045 -10.889 430 H VAL 55 H VAL 55 8.939 2.584 -9.572 431 HA VAL 55 HA VAL 55 10.064 -0.058 -9.626 432 HB VAL 55 HB VAL 55 8.558 -0.665 -7.778 433 1HG1 VAL 55 1HG1 VAL 55 10.823 0.369 -7.468 434 2HG1 VAL 55 2HG1 VAL 55 9.674 0.880 -6.177 435 3HG1 VAL 55 3HG1 VAL 55 10.086 2.017 -7.510 436 1HG2 VAL 55 1HG2 VAL 55 6.576 0.771 -8.402 437 2HG2 VAL 55 2HG2 VAL 55 7.552 2.251 -8.071 438 3HG2 VAL 55 3HG2 VAL 55 7.153 1.116 -6.737 439 H ALA 56 H ALA 56 6.912 1.151 -10.903 440 HA ALA 56 HA ALA 56 5.857 -1.378 -11.624 441 1HB ALA 56 1HB ALA 56 4.370 -0.204 -13.178 442 2HB ALA 56 2HB ALA 56 5.405 1.267 -13.115 443 3HB ALA 56 3HB ALA 56 4.503 0.744 -11.653 444 H MET 57 H MET 57 7.913 0.883 -13.601 445 HA MET 57 HA MET 57 8.196 -0.634 -15.943 446 1HB MET 57 1HB MET 57 9.881 1.384 -14.397 447 2HB MET 57 2HB MET 57 10.425 0.854 -15.977 448 1HG MET 57 1HG MET 57 7.581 1.964 -15.563 449 2HG MET 57 2HG MET 57 8.976 3.066 -15.611 450 1HE MET 57 1HE MET 57 6.060 2.277 -17.370 451 2HE MET 57 2HE MET 57 6.466 2.920 -18.992 452 3HE MET 57 3HE MET 57 6.770 3.925 -17.538 453 H ARG 58 H ARG 58 10.206 -0.896 -12.882 454 HA ARG 58 HA ARG 58 12.004 -2.876 -13.873 455 1HB ARG 58 1HB ARG 58 10.953 -2.409 -11.025 456 2HB ARG 58 2HB ARG 58 12.301 -3.524 -11.442 457 1HG ARG 58 1HG ARG 58 13.656 -1.622 -12.294 458 2HG ARG 58 2HG ARG 58 12.298 -0.491 -12.002 459 1HD ARG 58 1HD ARG 58 13.970 -0.313 -10.164 460 2HD ARG 58 2HD ARG 58 12.386 -0.956 -9.541 461 HE ARG 58 HE ARG 58 14.189 -3.098 -10.371 462 1HH1 ARG 58 1HH1 ARG 58 13.553 -0.798 -7.694 463 2HH1 ARG 58 2HH1 ARG 58 14.235 -1.795 -6.476 464 1HH2 ARG 58 1HH2 ARG 58 15.121 -4.464 -8.688 465 2HH2 ARG 58 2HH2 ARG 58 15.154 -3.934 -7.060 466 H ALA 59 H ALA 59 8.861 -3.432 -11.935 467 HA ALA 59 HA ALA 59 8.894 -6.248 -12.227 468 1HB ALA 59 1HB ALA 59 6.479 -4.370 -11.926 469 2HB ALA 59 2HB ALA 59 7.448 -5.064 -10.577 470 3HB ALA 59 3HB ALA 59 6.474 -6.152 -11.629 471 H LEU 60 H LEU 60 7.204 -3.810 -14.413 472 HA LEU 60 HA LEU 60 6.094 -5.888 -16.054 473 1HB LEU 60 1HB LEU 60 5.044 -3.630 -15.607 474 2HB LEU 60 2HB LEU 60 6.300 -2.891 -16.645 475 HG LEU 60 HG LEU 60 5.430 -4.206 -18.607 476 1HD1 LEU 60 1HD1 LEU 60 3.213 -5.370 -18.466 477 2HD1 LEU 60 2HD1 LEU 60 4.462 -6.202 -17.485 478 3HD1 LEU 60 3HD1 LEU 60 3.219 -5.176 -16.674 479 1HD2 LEU 60 1HD2 LEU 60 3.359 -2.921 -18.946 480 2HD2 LEU 60 2HD2 LEU 60 3.244 -2.595 -17.179 481 3HD2 LEU 60 3HD2 LEU 60 4.607 -1.899 -18.137 482 H GLY 61 H GLY 61 9.243 -4.203 -16.321 483 1HA GLY 61 1HA GLY 61 9.684 -4.328 -19.050 484 2HA GLY 61 2HA GLY 61 10.924 -4.476 -17.756 485 H PHE 62 H PHE 62 10.535 -6.990 -16.744 486 HA PHE 62 HA PHE 62 10.719 -9.158 -17.000 487 1HB PHE 62 1HB PHE 62 9.627 -9.027 -19.856 488 2HB PHE 62 2HB PHE 62 9.793 -10.506 -18.839 489 HD1 PHE 62 HD1 PHE 62 8.731 -9.690 -16.191 490 HD2 PHE 62 HD2 PHE 62 7.353 -8.703 -20.154 491 HE1 PHE 62 HE1 PHE 62 6.454 -9.368 -15.325 492 HE2 PHE 62 HE2 PHE 62 5.062 -8.414 -19.270 493 HZ PHE 62 HZ PHE 62 4.609 -8.743 -16.861 494 H GLU 63 H GLU 63 12.492 -10.641 -17.394 495 HA GLU 63 HA GLU 63 14.744 -9.425 -18.602 496 1HB GLU 63 1HB GLU 63 14.258 -12.311 -17.753 497 2HB GLU 63 2HB GLU 63 15.864 -11.737 -18.292 498 1HG GLU 63 1HG GLU 63 14.325 -10.555 -15.893 499 2HG GLU 63 2HG GLU 63 15.667 -11.753 -15.809 500 HA PRO 64 HA PRO 64 14.271 -12.276 -22.657 501 1HB PRO 64 1HB PRO 64 12.171 -10.189 -23.483 502 2HB PRO 64 2HB PRO 64 12.506 -11.775 -24.297 503 1HG PRO 64 1HG PRO 64 10.488 -11.656 -22.483 504 2HG PRO 64 2HG PRO 64 11.681 -13.016 -22.359 505 1HD PRO 64 1HD PRO 64 11.551 -10.444 -20.728 506 2HD PRO 64 2HD PRO 64 11.926 -12.134 -20.144 507 H LYS 65 H LYS 65 14.636 -8.795 -22.097 508 HA LYS 65 HA LYS 65 16.007 -7.262 -22.864 509 1HB LYS 65 1HB LYS 65 17.508 -9.341 -24.496 510 2HB LYS 65 2HB LYS 65 17.786 -7.583 -24.657 511 1HG LYS 65 1HG LYS 65 19.449 -8.217 -23.142 512 2HG LYS 65 2HG LYS 65 18.172 -7.438 -22.155 513 1HD LYS 65 1HD LYS 65 17.405 -10.092 -22.018 514 2HD LYS 65 2HD LYS 65 19.170 -10.294 -22.185 515 1HE LYS 65 1HE LYS 65 19.558 -8.919 -20.125 516 2HE LYS 65 2HE LYS 65 17.803 -8.467 -20.079 517 1HZ LYS 65 1HZ LYS 65 17.313 -10.841 -19.875 518 2HZ LYS 65 2HZ LYS 65 18.970 -11.157 -19.612 519 3HZ LYS 65 3HZ LYS 65 18.086 -10.170 -18.529 520 H LYS 66 H LYS 66 14.066 -6.245 -23.582 521 HA LYS 66 HA LYS 66 14.175 -5.700 -26.451 522 1HB LYS 66 1HB LYS 66 12.185 -7.280 -25.903 523 2HB LYS 66 2HB LYS 66 11.452 -5.897 -25.033 524 1HG LYS 66 1HG LYS 66 11.413 -4.591 -27.192 525 2HG LYS 66 2HG LYS 66 12.372 -5.890 -27.979 526 1HD LYS 66 1HD LYS 66 10.223 -6.375 -28.764 527 2HD LYS 66 2HD LYS 66 10.447 -7.513 -27.402 528 1HE LYS 66 1HE LYS 66 8.192 -6.672 -27.174 529 2HE LYS 66 2HE LYS 66 9.145 -5.776 -25.926 530 1HZ LYS 66 1HZ LYS 66 9.387 -4.089 -27.904 531 2HZ LYS 66 2HZ LYS 66 7.945 -4.824 -28.435 532 3HZ LYS 66 3HZ LYS 66 8.017 -4.110 -26.902 533 H GLU 67 H GLU 67 14.389 -3.386 -26.697 534 HA GLU 67 HA GLU 67 14.367 -1.795 -24.275 535 1HB GLU 67 1HB GLU 67 14.793 -0.908 -27.171 536 2HB GLU 67 2HB GLU 67 14.935 0.148 -25.717 537 1HG GLU 67 1HG GLU 67 16.774 -1.372 -24.841 538 2HG GLU 67 2HG GLU 67 16.743 -2.255 -26.417 539 H GLU 68 H GLU 68 12.081 -1.982 -23.668 540 HA GLU 68 HA GLU 68 10.311 -0.116 -25.145 541 1HB GLU 68 1HB GLU 68 9.588 -2.505 -25.197 542 2HB GLU 68 2HB GLU 68 9.351 -2.458 -23.419 543 1HG GLU 68 1HG GLU 68 7.596 -0.760 -23.624 544 2HG GLU 68 2HG GLU 68 8.033 -0.430 -25.345 545 H ILE 69 H ILE 69 10.689 -1.343 -21.656 546 HA ILE 69 HA ILE 69 9.230 0.784 -20.512 547 HB ILE 69 HB ILE 69 11.358 -1.284 -19.865 548 1HG1 ILE 69 1HG1 ILE 69 9.281 -2.258 -20.129 549 2HG1 ILE 69 2HG1 ILE 69 9.627 -2.240 -18.370 550 1HG2 ILE 69 1HG2 ILE 69 12.293 0.129 -18.365 551 2HG2 ILE 69 2HG2 ILE 69 11.148 -0.807 -17.360 552 3HG2 ILE 69 3HG2 ILE 69 10.750 0.881 -17.886 553 1HD1 ILE 69 1HD1 ILE 69 7.233 -1.852 -18.877 554 2HD1 ILE 69 2HD1 ILE 69 7.631 -0.360 -19.789 555 3HD1 ILE 69 3HD1 ILE 69 7.953 -0.460 -18.015 556 H LYS 70 H LYS 70 12.839 0.590 -21.003 557 HA LYS 70 HA LYS 70 13.665 3.056 -19.920 558 1HB LYS 70 1HB LYS 70 15.185 1.231 -20.637 559 2HB LYS 70 2HB LYS 70 14.545 1.324 -22.307 560 1HG LYS 70 1HG LYS 70 15.634 3.598 -22.571 561 2HG LYS 70 2HG LYS 70 16.386 3.381 -20.950 562 1HD LYS 70 1HD LYS 70 17.547 1.335 -21.757 563 2HD LYS 70 2HD LYS 70 16.639 1.403 -23.310 564 1HE LYS 70 1HE LYS 70 17.773 3.578 -23.892 565 2HE LYS 70 2HE LYS 70 18.748 3.464 -22.370 566 1HZ LYS 70 1HZ LYS 70 19.655 1.381 -23.188 567 2HZ LYS 70 2HZ LYS 70 19.927 2.637 -24.296 568 3HZ LYS 70 3HZ LYS 70 18.723 1.475 -24.609 569 H LYS 71 H LYS 71 12.617 2.336 -23.369 570 HA LYS 71 HA LYS 71 12.739 5.096 -24.183 571 1HB LYS 71 1HB LYS 71 11.502 2.666 -25.549 572 2HB LYS 71 2HB LYS 71 11.570 4.319 -26.269 573 1HG LYS 71 1HG LYS 71 14.048 4.347 -26.071 574 2HG LYS 71 2HG LYS 71 14.026 2.713 -25.322 575 1HD LYS 71 1HD LYS 71 13.060 1.760 -27.402 576 2HD LYS 71 2HD LYS 71 13.148 3.368 -28.206 577 1HE LYS 71 1HE LYS 71 15.609 3.389 -28.095 578 2HE LYS 71 2HE LYS 71 15.609 2.036 -26.904 579 1HZ LYS 71 1HZ LYS 71 14.444 0.802 -28.875 580 2HZ LYS 71 2HZ LYS 71 16.127 0.916 -28.677 581 3HZ LYS 71 3HZ LYS 71 15.319 1.931 -29.804 582 H MET 72 H MET 72 9.962 3.151 -22.726 583 HA MET 72 HA MET 72 7.954 5.074 -23.319 584 1HB MET 72 1HB MET 72 8.281 2.858 -21.332 585 2HB MET 72 2HB MET 72 7.329 4.219 -20.689 586 1HG MET 72 1HG MET 72 5.672 2.984 -21.489 587 2HG MET 72 2HG MET 72 5.898 4.110 -22.853 588 1HE MET 72 1HE MET 72 8.302 2.913 -24.640 589 2HE MET 72 2HE MET 72 6.677 3.386 -25.247 590 3HE MET 72 3HE MET 72 7.394 1.780 -25.650 591 H ILE 73 H ILE 73 10.087 4.941 -20.241 592 HA ILE 73 HA ILE 73 9.196 7.420 -19.234 593 HB ILE 73 HB ILE 73 11.953 6.134 -18.956 594 1HG1 ILE 73 1HG1 ILE 73 10.154 4.589 -18.245 595 2HG1 ILE 73 2HG1 ILE 73 11.127 5.166 -16.865 596 1HG2 ILE 73 1HG2 ILE 73 12.035 7.436 -16.760 597 2HG2 ILE 73 2HG2 ILE 73 10.584 8.361 -17.299 598 3HG2 ILE 73 3HG2 ILE 73 12.127 8.474 -18.219 599 1HD1 ILE 73 1HD1 ILE 73 9.297 6.810 -16.256 600 2HD1 ILE 73 2HD1 ILE 73 8.302 6.176 -17.620 601 3HD1 ILE 73 3HD1 ILE 73 8.738 5.107 -16.248 602 H SER 74 H SER 74 11.937 6.896 -21.608 603 HA SER 74 HA SER 74 12.664 9.662 -21.633 604 1HB SER 74 1HB SER 74 14.134 7.672 -22.253 605 2HB SER 74 2HB SER 74 13.225 7.555 -23.801 606 HG SER 74 HG SER 74 15.168 8.753 -23.928 607 H GLU 75 H GLU 75 10.488 7.799 -23.931 608 HA GLU 75 HA GLU 75 10.321 9.925 -25.862 609 1HB GLU 75 1HB GLU 75 10.272 7.439 -26.305 610 2HB GLU 75 2HB GLU 75 8.707 7.342 -25.441 611 1HG GLU 75 1HG GLU 75 7.663 8.772 -27.274 612 2HG GLU 75 2HG GLU 75 9.247 8.743 -28.141 613 H ILE 76 H ILE 76 8.163 8.728 -23.228 614 HA ILE 76 HA ILE 76 5.873 10.001 -24.317 615 HB ILE 76 HB ILE 76 4.475 9.061 -22.768 616 1HG1 ILE 76 1HG1 ILE 76 6.925 8.633 -20.989 617 2HG1 ILE 76 2HG1 ILE 76 5.410 9.506 -20.656 618 1HG2 ILE 76 1HG2 ILE 76 4.948 6.682 -23.149 619 2HG2 ILE 76 2HG2 ILE 76 6.672 7.035 -23.529 620 3HG2 ILE 76 3HG2 ILE 76 5.370 7.664 -24.590 621 1HD1 ILE 76 1HD1 ILE 76 5.380 7.406 -19.418 622 2HD1 ILE 76 2HD1 ILE 76 4.130 7.338 -20.714 623 3HD1 ILE 76 3HD1 ILE 76 5.692 6.447 -20.909 624 H ASP 77 H ASP 77 8.099 11.345 -21.911 625 HA ASP 77 HA ASP 77 6.047 13.453 -21.411 626 1HB ASP 77 1HB ASP 77 7.037 12.278 -19.321 627 2HB ASP 77 2HB ASP 77 8.589 13.094 -19.714 628 H LYS 78 H LYS 78 6.366 15.113 -22.884 629 HA LYS 78 HA LYS 78 9.127 15.900 -23.588 630 1HB LYS 78 1HB LYS 78 6.975 14.974 -25.305 631 2HB LYS 78 2HB LYS 78 7.323 16.664 -25.735 632 1HG LYS 78 1HG LYS 78 8.600 15.051 -27.102 633 2HG LYS 78 2HG LYS 78 9.683 16.143 -26.172 634 1HD LYS 78 1HD LYS 78 10.196 14.380 -24.556 635 2HD LYS 78 2HD LYS 78 8.976 13.273 -25.278 636 1HE LYS 78 1HE LYS 78 10.309 12.943 -27.281 637 2HE LYS 78 2HE LYS 78 11.372 14.359 -26.899 638 1HZ LYS 78 1HZ LYS 78 12.314 13.210 -25.102 639 2HZ LYS 78 2HZ LYS 78 11.229 11.923 -25.183 640 3HZ LYS 78 3HZ LYS 78 12.352 12.163 -26.434 641 H GLU 79 H GLU 79 7.778 17.006 -21.392 642 HA GLU 79 HA GLU 79 7.287 19.815 -22.210 643 1HB GLU 79 1HB GLU 79 5.713 18.279 -20.046 644 2HB GLU 79 2HB GLU 79 5.524 19.997 -20.515 645 1HG GLU 79 1HG GLU 79 3.791 19.198 -21.770 646 2HG GLU 79 2HG GLU 79 5.089 18.902 -22.979 647 H GLY 80 H GLY 80 7.973 17.654 -19.344 648 1HA GLY 80 1HA GLY 80 10.198 18.306 -18.314 649 2HA GLY 80 2HA GLY 80 9.350 19.856 -17.962 650 H THR 81 H THR 81 8.210 16.401 -17.697 651 HA THR 81 HA THR 81 7.738 16.771 -14.827 652 HB THR 81 HB THR 81 5.335 15.733 -15.301 653 HG1 THR 81 HG1 THR 81 5.795 15.756 -17.636 654 1HG2 THR 81 1HG2 THR 81 6.035 18.707 -15.706 655 2HG2 THR 81 2HG2 THR 81 4.442 18.024 -15.214 656 3HG2 THR 81 3HG2 THR 81 5.862 17.868 -14.118 657 H GLY 82 H GLY 82 5.987 14.113 -15.757 658 1HA GLY 82 1HA GLY 82 7.509 12.030 -16.334 659 2HA GLY 82 2HA GLY 82 7.997 12.376 -14.628 660 H LYS 83 H LYS 83 5.444 11.505 -16.790 661 HA LYS 83 HA LYS 83 3.734 10.384 -14.688 662 1HB LYS 83 1HB LYS 83 1.746 11.625 -15.645 663 2HB LYS 83 2HB LYS 83 2.954 12.704 -14.883 664 1HG LYS 83 1HG LYS 83 3.936 13.233 -17.130 665 2HG LYS 83 2HG LYS 83 2.720 12.169 -17.916 666 1HD LYS 83 1HD LYS 83 0.887 13.632 -17.013 667 2HD LYS 83 2HD LYS 83 2.124 14.741 -16.326 668 1HE LYS 83 1HE LYS 83 1.777 14.029 -19.333 669 2HE LYS 83 2HE LYS 83 1.250 15.567 -18.540 670 1HZ LYS 83 1HZ LYS 83 3.569 16.024 -18.022 671 2HZ LYS 83 2HZ LYS 83 4.078 14.601 -18.763 672 3HZ LYS 83 3HZ LYS 83 3.344 15.823 -19.687 673 H MET 84 H MET 84 1.997 8.994 -15.504 674 HA MET 84 HA MET 84 1.801 8.603 -18.381 675 1HB MET 84 1HB MET 84 3.560 6.969 -17.471 676 2HB MET 84 2HB MET 84 2.250 6.170 -16.545 677 1HG MET 84 1HG MET 84 1.122 5.573 -18.695 678 2HG MET 84 2HG MET 84 2.293 6.589 -19.597 679 1HE MET 84 1HE MET 84 3.535 3.301 -20.982 680 2HE MET 84 2HE MET 84 3.596 5.081 -21.234 681 3HE MET 84 3HE MET 84 2.028 4.269 -20.934 682 H ASN 85 H ASN 85 -0.447 8.253 -18.942 683 HA ASN 85 HA ASN 85 -2.250 7.571 -16.669 684 1HB ASN 85 1HB ASN 85 -4.186 8.275 -18.077 685 2HB ASN 85 2HB ASN 85 -3.062 9.579 -17.606 686 1HD2 ASN 85 1HD2 ASN 85 -2.083 10.823 -19.234 687 2HD2 ASN 85 2HD2 ASN 85 -2.155 10.457 -20.923 688 H PHE 86 H PHE 86 -4.179 6.193 -17.369 689 HA PHE 86 HA PHE 86 -3.234 3.693 -18.376 690 1HB PHE 86 1HB PHE 86 -5.167 4.149 -16.683 691 2HB PHE 86 2HB PHE 86 -6.200 4.496 -18.115 692 HD1 PHE 86 HD1 PHE 86 -7.416 2.628 -18.944 693 HD2 PHE 86 HD2 PHE 86 -3.736 1.922 -16.849 694 HE1 PHE 86 HE1 PHE 86 -7.826 0.190 -19.037 695 HE2 PHE 86 HE2 PHE 86 -4.179 -0.501 -16.872 696 HZ PHE 86 HZ PHE 86 -6.211 -1.385 -18.001 697 H GLY 87 H GLY 87 -4.539 6.528 -20.195 698 1HA GLY 87 1HA GLY 87 -5.381 5.015 -22.512 699 2HA GLY 87 2HA GLY 87 -4.948 6.766 -22.401 700 H ASP 88 H ASP 88 -2.301 6.849 -21.695 701 HA ASP 88 HA ASP 88 -0.670 6.003 -23.791 702 1HB ASP 88 1HB ASP 88 0.316 6.232 -20.873 703 2HB ASP 88 2HB ASP 88 1.282 6.441 -22.377 704 H PHE 89 H PHE 89 -0.976 4.446 -20.476 705 HA PHE 89 HA PHE 89 0.790 2.388 -20.858 706 1HB PHE 89 1HB PHE 89 -0.479 3.264 -18.720 707 2HB PHE 89 2HB PHE 89 -1.732 2.046 -19.122 708 HD1 PHE 89 HD1 PHE 89 2.105 1.926 -19.220 709 HD2 PHE 89 HD2 PHE 89 -1.526 0.467 -17.437 710 HE1 PHE 89 HE1 PHE 89 3.418 0.492 -17.719 711 HE2 PHE 89 HE2 PHE 89 -0.197 -1.004 -15.960 712 HZ PHE 89 HZ PHE 89 2.272 -0.959 -16.062 713 H LEU 90 H LEU 90 -2.824 2.019 -21.305 714 HA LEU 90 HA LEU 90 -2.660 -0.649 -22.210 715 1HB LEU 90 1HB LEU 90 -4.711 0.461 -21.259 716 2HB LEU 90 2HB LEU 90 -4.859 1.415 -22.766 717 HG LEU 90 HG LEU 90 -5.185 -0.711 -24.068 718 1HD1 LEU 90 1HD1 LEU 90 -5.095 -2.116 -21.317 719 2HD1 LEU 90 2HD1 LEU 90 -5.664 -2.863 -22.856 720 3HD1 LEU 90 3HD1 LEU 90 -3.950 -2.357 -22.692 721 1HD2 LEU 90 1HD2 LEU 90 -7.116 -0.389 -21.683 722 2HD2 LEU 90 2HD2 LEU 90 -7.141 0.564 -23.215 723 3HD2 LEU 90 3HD2 LEU 90 -7.480 -1.206 -23.252 724 H THR 91 H THR 91 -2.936 2.429 -24.250 725 HA THR 91 HA THR 91 -2.935 0.977 -26.704 726 HB THR 91 HB THR 91 -2.537 3.096 -27.862 727 HG1 THR 91 HG1 THR 91 -2.534 4.280 -25.273 728 1HG2 THR 91 1HG2 THR 91 -4.661 3.244 -25.606 729 2HG2 THR 91 2HG2 THR 91 -4.672 4.159 -27.158 730 3HG2 THR 91 3HG2 THR 91 -4.838 2.367 -27.170 731 H VAL 92 H VAL 92 -0.114 2.676 -25.035 732 HA VAL 92 HA VAL 92 1.695 1.983 -27.082 733 HB VAL 92 HB VAL 92 1.942 3.801 -25.304 734 1HG1 VAL 92 1HG1 VAL 92 3.346 3.299 -23.373 735 2HG1 VAL 92 2HG1 VAL 92 1.911 2.213 -23.279 736 3HG1 VAL 92 3HG1 VAL 92 3.497 1.568 -23.828 737 1HG2 VAL 92 1HG2 VAL 92 3.493 3.330 -27.196 738 2HG2 VAL 92 2HG2 VAL 92 4.394 3.803 -25.708 739 3HG2 VAL 92 3HG2 VAL 92 4.331 2.070 -26.207 740 H MET 93 H MET 93 1.037 0.144 -23.965 741 HA MET 93 HA MET 93 2.945 -1.885 -24.513 742 1HB MET 93 1HB MET 93 0.422 -2.061 -22.803 743 2HB MET 93 2HB MET 93 1.733 -3.293 -22.845 744 1HG MET 93 1HG MET 93 2.099 -0.347 -22.024 745 2HG MET 93 2HG MET 93 1.854 -1.697 -20.888 746 1HE MET 93 1HE MET 93 4.002 -0.284 -19.874 747 2HE MET 93 2HE MET 93 4.138 0.676 -21.390 748 3HE MET 93 3HE MET 93 5.581 -0.161 -20.725 749 H THR 94 H THR 94 -0.682 -1.884 -25.436 750 HA THR 94 HA THR 94 -0.561 -4.393 -26.717 751 HB THR 94 HB THR 94 -2.234 -1.985 -27.574 752 HG1 THR 94 HG1 THR 94 -2.688 -4.039 -25.687 753 1HG2 THR 94 1HG2 THR 94 -2.623 -5.049 -27.940 754 2HG2 THR 94 2HG2 THR 94 -3.841 -3.784 -28.349 755 3HG2 THR 94 3HG2 THR 94 -2.294 -3.861 -29.254 756 H GLN 95 H GLN 95 -0.086 -1.098 -28.348 757 HA GLN 95 HA GLN 95 0.502 -2.051 -30.903 758 1HB GLN 95 1HB GLN 95 0.030 0.326 -30.253 759 2HB GLN 95 2HB GLN 95 1.597 0.393 -29.391 760 1HG GLN 95 1HG GLN 95 2.778 0.033 -31.658 761 2HG GLN 95 2HG GLN 95 1.167 0.161 -32.450 762 1HE2 GLN 95 1HE2 GLN 95 -0.119 2.231 -31.835 763 2HE2 GLN 95 2HE2 GLN 95 0.777 3.697 -31.603 764 H LYS 96 H LYS 96 3.032 -1.229 -28.316 765 HA LYS 96 HA LYS 96 5.133 -2.058 -30.134 766 1HB LYS 96 1HB LYS 96 5.320 -1.053 -27.273 767 2HB LYS 96 2HB LYS 96 6.717 -1.406 -28.353 768 1HG LYS 96 1HG LYS 96 5.796 0.241 -30.047 769 2HG LYS 96 2HG LYS 96 4.488 0.666 -28.890 770 1HD LYS 96 1HD LYS 96 6.181 1.391 -27.236 771 2HD LYS 96 2HD LYS 96 7.510 1.022 -28.399 772 1HE LYS 96 1HE LYS 96 6.599 2.783 -29.982 773 2HE LYS 96 2HE LYS 96 5.261 3.126 -28.813 774 1HZ LYS 96 1HZ LYS 96 7.038 3.668 -27.177 775 2HZ LYS 96 2HZ LYS 96 8.176 3.594 -28.427 776 3HZ LYS 96 3HZ LYS 96 6.950 4.745 -28.468 777 H MET 97 H MET 97 3.534 -3.857 -27.358 778 HA MET 97 HA MET 97 5.559 -5.942 -27.443 779 1HB MET 97 1HB MET 97 2.745 -5.977 -26.244 780 2HB MET 97 2HB MET 97 3.935 -7.310 -26.095 781 1HG MET 97 1HG MET 97 4.377 -4.448 -25.042 782 2HG MET 97 2HG MET 97 3.753 -5.824 -24.085 783 1HE MET 97 1HE MET 97 7.184 -5.458 -22.429 784 2HE MET 97 2HE MET 97 5.421 -5.738 -22.222 785 3HE MET 97 3HE MET 97 6.007 -4.211 -22.965 786 H SER 98 H SER 98 2.071 -5.828 -28.766 787 HA SER 98 HA SER 98 2.369 -8.528 -29.774 788 1HB SER 98 1HB SER 98 0.069 -6.545 -30.234 789 2HB SER 98 2HB SER 98 0.033 -8.330 -30.508 790 HG SER 98 HG SER 98 0.301 -6.889 -28.087 Start of MODEL 8 1 1H MET 1 1H MET 1 23.720 -15.770 3.859 2 2H MET 1 2H MET 1 25.348 -15.948 4.322 3 3H MET 1 3H MET 1 24.948 -15.071 2.922 4 HA MET 1 HA MET 1 25.818 -17.195 2.354 5 1HB MET 1 1HB MET 1 23.359 -18.317 3.862 6 2HB MET 1 2HB MET 1 24.512 -19.281 2.881 7 1HG MET 1 1HG MET 1 25.105 -17.776 5.501 8 2HG MET 1 2HG MET 1 24.943 -19.537 5.269 9 1HE MET 1 1HE MET 1 28.681 -19.118 6.235 10 2HE MET 1 2HE MET 1 27.108 -19.920 6.572 11 3HE MET 1 3HE MET 1 27.282 -18.147 6.805 12 H ALA 2 H ALA 2 22.121 -17.485 2.415 13 HA ALA 2 HA ALA 2 22.114 -17.549 -0.472 14 1HB ALA 2 1HB ALA 2 19.756 -17.541 1.493 15 2HB ALA 2 2HB ALA 2 20.551 -19.004 0.803 16 3HB ALA 2 3HB ALA 2 19.661 -17.874 -0.278 17 H SER 3 H SER 3 21.926 -15.760 -1.834 18 HA SER 3 HA SER 3 20.214 -13.524 -1.049 19 1HB SER 3 1HB SER 3 22.515 -12.876 -0.241 20 2HB SER 3 2HB SER 3 23.138 -13.040 -1.917 21 HG SER 3 HG SER 3 22.580 -10.901 -1.305 22 H ASN 4 H ASN 4 22.654 -14.032 -3.787 23 HA ASN 4 HA ASN 4 20.571 -13.286 -5.676 24 1HB ASN 4 1HB ASN 4 22.940 -12.417 -5.929 25 2HB ASN 4 2HB ASN 4 23.480 -14.099 -6.256 26 1HD2 ASN 4 1HD2 ASN 4 20.923 -11.722 -7.388 27 2HD2 ASN 4 2HD2 ASN 4 21.060 -12.123 -9.067 28 H PHE 5 H PHE 5 19.121 -14.831 -6.419 29 HA PHE 5 HA PHE 5 19.790 -17.652 -6.306 30 1HB PHE 5 1HB PHE 5 17.341 -17.925 -7.200 31 2HB PHE 5 2HB PHE 5 17.636 -17.362 -5.525 32 HD1 PHE 5 HD1 PHE 5 16.351 -16.353 -8.844 33 HD2 PHE 5 HD2 PHE 5 17.282 -15.039 -4.852 34 HE1 PHE 5 HE1 PHE 5 15.015 -14.309 -9.201 35 HE2 PHE 5 HE2 PHE 5 15.943 -12.996 -5.218 36 HZ PHE 5 HZ PHE 5 14.809 -12.623 -7.392 37 H LYS 6 H LYS 6 21.579 -17.580 -7.961 38 HA LYS 6 HA LYS 6 20.507 -18.132 -10.651 39 1HB LYS 6 1HB LYS 6 21.264 -15.721 -10.625 40 2HB LYS 6 2HB LYS 6 22.902 -16.272 -10.155 41 1HG LYS 6 1HG LYS 6 23.066 -17.564 -12.322 42 2HG LYS 6 2HG LYS 6 21.410 -17.016 -12.758 43 1HD LYS 6 1HD LYS 6 22.190 -14.637 -12.714 44 2HD LYS 6 2HD LYS 6 23.844 -15.193 -12.266 45 1HE LYS 6 1HE LYS 6 24.002 -16.469 -14.448 46 2HE LYS 6 2HE LYS 6 22.349 -15.885 -14.898 47 1HZ LYS 6 1HZ LYS 6 23.185 -13.629 -14.804 48 2HZ LYS 6 2HZ LYS 6 24.735 -14.181 -14.386 49 3HZ LYS 6 3HZ LYS 6 24.073 -14.574 -15.898 50 H LYS 7 H LYS 7 21.197 -20.237 -11.105 51 HA LYS 7 HA LYS 7 24.062 -20.730 -11.040 52 1HB LYS 7 1HB LYS 7 23.290 -21.660 -8.836 53 2HB LYS 7 2HB LYS 7 22.151 -22.741 -9.696 54 1HG LYS 7 1HG LYS 7 24.114 -23.851 -10.837 55 2HG LYS 7 2HG LYS 7 25.227 -22.719 -9.987 56 1HD LYS 7 1HD LYS 7 24.404 -23.601 -7.776 57 2HD LYS 7 2HD LYS 7 23.372 -24.790 -8.637 58 1HE LYS 7 1HE LYS 7 26.472 -24.619 -8.777 59 2HE LYS 7 2HE LYS 7 25.516 -25.818 -7.815 60 1HZ LYS 7 1HZ LYS 7 24.590 -26.649 -9.875 61 2HZ LYS 7 2HZ LYS 7 26.285 -26.733 -9.875 62 3HZ LYS 7 3HZ LYS 7 25.497 -25.530 -10.775 63 H ALA 8 H ALA 8 21.122 -22.916 -11.570 64 HA ALA 8 HA ALA 8 22.296 -23.706 -14.140 65 1HB ALA 8 1HB ALA 8 21.523 -25.516 -12.631 66 2HB ALA 8 2HB ALA 8 20.582 -25.502 -14.165 67 3HB ALA 8 3HB ALA 8 19.857 -24.831 -12.656 68 H ASN 9 H ASN 9 21.844 -21.810 -15.482 69 HA ASN 9 HA ASN 9 19.039 -21.030 -15.877 70 1HB ASN 9 1HB ASN 9 21.608 -19.955 -17.189 71 2HB ASN 9 2HB ASN 9 19.955 -19.295 -17.467 72 1HD2 ASN 9 1HD2 ASN 9 18.710 -18.799 -15.265 73 2HD2 ASN 9 2HD2 ASN 9 19.632 -17.947 -14.074 74 H MET 10 H MET 10 21.687 -22.154 -18.229 75 HA MET 10 HA MET 10 19.620 -22.501 -20.264 76 1HB MET 10 1HB MET 10 22.637 -22.993 -20.482 77 2HB MET 10 2HB MET 10 21.460 -22.936 -21.838 78 1HG MET 10 1HG MET 10 22.279 -20.621 -19.978 79 2HG MET 10 2HG MET 10 22.770 -20.859 -21.679 80 1HE MET 10 1HE MET 10 20.575 -17.625 -21.717 81 2HE MET 10 2HE MET 10 22.166 -18.379 -22.078 82 3HE MET 10 3HE MET 10 21.614 -18.215 -20.375 83 H ALA 11 H ALA 11 18.390 -24.355 -19.657 84 HA ALA 11 HA ALA 11 19.754 -26.945 -20.088 85 1HB ALA 11 1HB ALA 11 17.750 -26.394 -17.809 86 2HB ALA 11 2HB ALA 11 19.505 -26.736 -17.617 87 3HB ALA 11 3HB ALA 11 18.413 -28.013 -18.260 88 H SER 12 H SER 12 16.299 -25.770 -19.427 89 HA SER 12 HA SER 12 15.299 -27.771 -21.243 90 1HB SER 12 1HB SER 12 13.765 -25.523 -19.818 91 2HB SER 12 2HB SER 12 13.052 -26.999 -20.584 92 HG SER 12 HG SER 12 13.319 -27.189 -18.337 93 H SER 13 H SER 13 14.463 -27.531 -23.377 94 HA SER 13 HA SER 13 15.071 -25.095 -24.776 95 1HB SER 13 1HB SER 13 14.129 -26.381 -26.787 96 2HB SER 13 2HB SER 13 15.515 -27.151 -25.931 97 HG SER 13 HG SER 13 12.769 -27.736 -25.588 98 H SER 14 H SER 14 13.680 -23.365 -24.136 99 HA SER 14 HA SER 14 10.871 -23.704 -23.850 100 1HB SER 14 1HB SER 14 12.315 -22.020 -22.614 101 2HB SER 14 2HB SER 14 12.424 -21.066 -24.136 102 HG SER 14 HG SER 14 10.193 -21.620 -22.487 103 H GLN 15 H GLN 15 12.691 -21.977 -26.571 104 HA GLN 15 HA GLN 15 10.178 -21.215 -27.794 105 1HB GLN 15 1HB GLN 15 13.045 -20.870 -28.809 106 2HB GLN 15 2HB GLN 15 11.573 -20.154 -29.558 107 1HG GLN 15 1HG GLN 15 11.131 -18.851 -27.441 108 2HG GLN 15 2HG GLN 15 12.600 -19.571 -26.691 109 1HE2 GLN 15 1HE2 GLN 15 11.624 -17.838 -29.766 110 2HE2 GLN 15 2HE2 GLN 15 13.058 -16.868 -29.861 111 H ARG 16 H ARG 16 9.234 -23.352 -28.293 112 HA ARG 16 HA ARG 16 10.454 -24.715 -30.646 113 1HB ARG 16 1HB ARG 16 10.156 -25.982 -28.467 114 2HB ARG 16 2HB ARG 16 8.383 -25.866 -28.707 115 1HG ARG 16 1HG ARG 16 8.588 -27.169 -30.828 116 2HG ARG 16 2HG ARG 16 10.384 -27.132 -30.687 117 1HD ARG 16 1HD ARG 16 10.250 -28.473 -28.559 118 2HD ARG 16 2HD ARG 16 8.438 -28.552 -28.731 119 HE ARG 16 HE ARG 16 9.542 -29.443 -31.189 120 1HH1 ARG 16 1HH1 ARG 16 9.574 -30.479 -27.755 121 2HH1 ARG 16 2HH1 ARG 16 9.797 -32.144 -28.101 122 1HH2 ARG 16 1HH2 ARG 16 9.848 -31.742 -31.657 123 2HH2 ARG 16 2HH2 ARG 16 9.955 -32.879 -30.379 124 H LYS 17 H LYS 17 7.334 -23.151 -29.640 125 HA LYS 17 HA LYS 17 5.657 -22.386 -30.828 126 1HB LYS 17 1HB LYS 17 7.280 -21.918 -32.685 127 2HB LYS 17 2HB LYS 17 6.824 -23.491 -33.416 128 1HG LYS 17 1HG LYS 17 4.451 -22.673 -33.650 129 2HG LYS 17 2HG LYS 17 4.948 -21.093 -32.940 130 1HD LYS 17 1HD LYS 17 6.617 -20.813 -34.826 131 2HD LYS 17 2HD LYS 17 6.106 -22.396 -35.491 132 1HE LYS 17 1HE LYS 17 5.071 -20.584 -36.790 133 2HE LYS 17 2HE LYS 17 3.780 -21.484 -35.898 134 1HZ LYS 17 1HZ LYS 17 3.639 -19.020 -35.877 135 2HZ LYS 17 2HZ LYS 17 3.600 -19.758 -34.350 136 3HZ LYS 17 3HZ LYS 17 5.018 -18.976 -34.888 137 H ARG 18 H ARG 18 3.666 -23.258 -30.442 138 HA ARG 18 HA ARG 18 2.824 -25.603 -31.991 139 1HB ARG 18 1HB ARG 18 3.359 -26.526 -29.707 140 2HB ARG 18 2HB ARG 18 2.272 -25.317 -28.966 141 1HG ARG 18 1HG ARG 18 0.354 -26.357 -30.350 142 2HG ARG 18 2HG ARG 18 1.514 -27.635 -30.860 143 1HD ARG 18 1HD ARG 18 1.787 -28.341 -28.455 144 2HD ARG 18 2HD ARG 18 0.709 -26.967 -27.939 145 HE ARG 18 HE ARG 18 -0.521 -28.732 -29.948 146 1HH1 ARG 18 1HH1 ARG 18 0.109 -28.347 -26.433 147 2HH1 ARG 18 2HH1 ARG 18 -1.243 -29.278 -25.940 148 1HH2 ARG 18 1HH2 ARG 18 -2.375 -30.016 -29.253 149 2HH2 ARG 18 2HH2 ARG 18 -2.683 -30.262 -27.585 150 H MET 19 H MET 19 1.053 -23.800 -29.331 151 HA MET 19 HA MET 19 -0.915 -22.853 -31.269 152 1HB MET 19 1HB MET 19 -0.733 -22.354 -28.249 153 2HB MET 19 2HB MET 19 -2.117 -21.918 -29.314 154 1HG MET 19 1HG MET 19 -2.456 -24.335 -29.863 155 2HG MET 19 2HG MET 19 -1.086 -24.780 -28.798 156 1HE MET 19 1HE MET 19 -2.476 -26.507 -27.590 157 2HE MET 19 2HE MET 19 -3.866 -26.115 -28.663 158 3HE MET 19 3HE MET 19 -4.106 -26.229 -26.887 159 H SER 20 H SER 20 -0.812 -20.827 -32.268 160 HA SER 20 HA SER 20 1.111 -18.818 -31.185 161 1HB SER 20 1HB SER 20 0.439 -19.408 -34.123 162 2HB SER 20 2HB SER 20 1.606 -18.171 -33.511 163 HG SER 20 HG SER 20 1.701 -20.979 -33.067 164 HA PRO 21 HA PRO 21 -2.975 -16.561 -31.414 165 1HB PRO 21 1HB PRO 21 -1.330 -14.757 -29.534 166 2HB PRO 21 2HB PRO 21 -3.096 -15.137 -29.426 167 1HG PRO 21 1HG PRO 21 -1.338 -16.423 -27.788 168 2HG PRO 21 2HG PRO 21 -2.615 -17.392 -28.637 169 1HD PRO 21 1HD PRO 21 0.340 -17.064 -29.428 170 2HD PRO 21 2HD PRO 21 -0.684 -18.573 -29.380 171 H LYS 22 H LYS 22 -3.670 -14.533 -32.411 172 HA LYS 22 HA LYS 22 -1.702 -13.131 -34.052 173 1HB LYS 22 1HB LYS 22 -4.676 -12.540 -33.557 174 2HB LYS 22 2HB LYS 22 -3.683 -11.845 -34.883 175 1HG LYS 22 1HG LYS 22 -3.402 -14.104 -35.886 176 2HG LYS 22 2HG LYS 22 -4.401 -14.837 -34.584 177 1HD LYS 22 1HD LYS 22 -5.364 -12.689 -36.572 178 2HD LYS 22 2HD LYS 22 -5.646 -14.460 -36.724 179 1HE LYS 22 1HE LYS 22 -6.955 -14.456 -34.572 180 2HE LYS 22 2HE LYS 22 -6.699 -12.673 -34.411 181 1HZ LYS 22 1HZ LYS 22 -7.869 -12.365 -36.483 182 2HZ LYS 22 2HZ LYS 22 -8.820 -13.183 -35.340 183 3HZ LYS 22 3HZ LYS 22 -8.125 -14.038 -36.632 184 HA PRO 23 HA PRO 23 -1.110 -9.539 -31.344 185 1HB PRO 23 1HB PRO 23 -2.381 -7.736 -33.481 186 2HB PRO 23 2HB PRO 23 -0.904 -7.403 -32.478 187 1HG PRO 23 1HG PRO 23 -0.583 -8.346 -35.004 188 2HG PRO 23 2HG PRO 23 0.360 -9.108 -33.655 189 1HD PRO 23 1HD PRO 23 -2.175 -10.168 -35.019 190 2HD PRO 23 2HD PRO 23 -0.684 -11.073 -34.477 191 H GLU 24 H GLU 24 -2.228 -9.565 -29.576 192 HA GLU 24 HA GLU 24 -4.704 -8.205 -29.076 193 1HB GLU 24 1HB GLU 24 -5.445 -10.398 -30.147 194 2HB GLU 24 2HB GLU 24 -4.554 -11.283 -28.869 195 1HG GLU 24 1HG GLU 24 -6.113 -10.300 -27.132 196 2HG GLU 24 2HG GLU 24 -6.980 -9.398 -28.436 197 H LEU 25 H LEU 25 -4.954 -7.919 -26.683 198 HA LEU 25 HA LEU 25 -2.715 -8.896 -24.991 199 1HB LEU 25 1HB LEU 25 -5.159 -7.169 -24.245 200 2HB LEU 25 2HB LEU 25 -3.862 -7.671 -23.112 201 HG LEU 25 HG LEU 25 -3.506 -5.829 -25.545 202 1HD1 LEU 25 1HD1 LEU 25 -3.661 -5.208 -22.518 203 2HD1 LEU 25 2HD1 LEU 25 -3.247 -4.011 -23.794 204 3HD1 LEU 25 3HD1 LEU 25 -4.882 -4.769 -23.769 205 1HD2 LEU 25 1HD2 LEU 25 -1.378 -7.058 -24.986 206 2HD2 LEU 25 2HD2 LEU 25 -1.255 -5.303 -24.614 207 3HD2 LEU 25 3HD2 LEU 25 -1.509 -6.479 -23.282 208 H THR 26 H THR 26 -3.076 -11.119 -24.459 209 HA THR 26 HA THR 26 -5.666 -12.264 -24.777 210 HB THR 26 HB THR 26 -4.374 -14.388 -23.968 211 HG1 THR 26 HG1 THR 26 -2.435 -13.967 -23.187 212 1HG2 THR 26 1HG2 THR 26 -3.169 -14.455 -26.152 213 2HG2 THR 26 2HG2 THR 26 -3.331 -12.669 -26.334 214 3HG2 THR 26 3HG2 THR 26 -4.798 -13.714 -26.359 215 H GLU 27 H GLU 27 -3.908 -13.434 -21.946 216 HA GLU 27 HA GLU 27 -6.142 -12.622 -20.158 217 1HB GLU 27 1HB GLU 27 -4.691 -15.341 -20.207 218 2HB GLU 27 2HB GLU 27 -5.865 -14.793 -18.954 219 1HG GLU 27 1HG GLU 27 -7.637 -14.581 -20.770 220 2HG GLU 27 2HG GLU 27 -6.460 -15.270 -21.952 221 H GLU 28 H GLU 28 -2.766 -14.058 -20.163 222 HA GLU 28 HA GLU 28 -1.813 -13.060 -17.752 223 1HB GLU 28 1HB GLU 28 -0.162 -13.229 -20.361 224 2HB GLU 28 2HB GLU 28 0.381 -13.478 -18.674 225 1HG GLU 28 1HG GLU 28 0.347 -15.631 -19.556 226 2HG GLU 28 2HG GLU 28 -1.223 -15.580 -18.685 227 H GLN 29 H GLN 29 -1.498 -11.488 -21.064 228 HA GLN 29 HA GLN 29 -0.266 -9.113 -20.093 229 1HB GLN 29 1HB GLN 29 -1.890 -9.514 -22.664 230 2HB GLN 29 2HB GLN 29 -0.723 -8.181 -22.330 231 1HG GLN 29 1HG GLN 29 1.162 -9.816 -22.240 232 2HG GLN 29 2HG GLN 29 0.017 -11.183 -22.514 233 1HE2 GLN 29 1HE2 GLN 29 1.865 -8.657 -24.100 234 2HE2 GLN 29 2HE2 GLN 29 1.164 -8.813 -25.681 235 H LYS 30 H LYS 30 -3.737 -9.735 -21.035 236 HA LYS 30 HA LYS 30 -4.832 -7.216 -20.589 237 1HB LYS 30 1HB LYS 30 -5.833 -9.251 -21.693 238 2HB LYS 30 2HB LYS 30 -6.101 -9.972 -20.077 239 1HG LYS 30 1HG LYS 30 -7.718 -8.129 -19.541 240 2HG LYS 30 2HG LYS 30 -7.334 -7.337 -21.115 241 1HD LYS 30 1HD LYS 30 -8.079 -9.403 -22.328 242 2HD LYS 30 2HD LYS 30 -8.530 -10.156 -20.758 243 1HE LYS 30 1HE LYS 30 -10.270 -8.368 -20.390 244 2HE LYS 30 2HE LYS 30 -9.788 -7.581 -21.950 245 1HZ LYS 30 1HZ LYS 30 -10.397 -9.611 -23.093 246 2HZ LYS 30 2HZ LYS 30 -11.707 -8.978 -22.216 247 3HZ LYS 30 3HZ LYS 30 -10.868 -10.336 -21.635 248 H GLN 31 H GLN 31 -4.795 -9.966 -18.112 249 HA GLN 31 HA GLN 31 -5.644 -8.285 -15.977 250 1HB GLN 31 1HB GLN 31 -5.261 -10.040 -14.441 251 2HB GLN 31 2HB GLN 31 -5.917 -10.741 -15.944 252 1HG GLN 31 1HG GLN 31 -4.307 -12.312 -15.474 253 2HG GLN 31 2HG GLN 31 -3.351 -11.227 -16.542 254 1HE2 GLN 31 1HE2 GLN 31 -1.273 -11.050 -15.713 255 2HE2 GLN 31 2HE2 GLN 31 -0.863 -10.931 -14.030 256 H GLU 32 H GLU 32 -2.241 -9.023 -17.161 257 HA GLU 32 HA GLU 32 -0.868 -7.852 -14.996 258 1HB GLU 32 1HB GLU 32 0.272 -9.158 -16.746 259 2HB GLU 32 2HB GLU 32 -0.074 -7.878 -17.957 260 1HG GLU 32 1HG GLU 32 1.427 -6.293 -16.718 261 2HG GLU 32 2HG GLU 32 1.665 -7.525 -15.418 262 H ILE 33 H ILE 33 -1.922 -6.081 -18.107 263 HA ILE 33 HA ILE 33 -0.994 -3.561 -17.138 264 HB ILE 33 HB ILE 33 -2.812 -4.513 -19.361 265 1HG1 ILE 33 1HG1 ILE 33 -1.089 -3.086 -20.690 266 2HG1 ILE 33 2HG1 ILE 33 -0.131 -2.998 -19.183 267 1HG2 ILE 33 1HG2 ILE 33 -2.459 -1.572 -18.549 268 2HG2 ILE 33 2HG2 ILE 33 -3.006 -2.118 -20.169 269 3HG2 ILE 33 3HG2 ILE 33 -4.005 -2.490 -18.728 270 1HD1 ILE 33 1HD1 ILE 33 0.103 -5.527 -19.229 271 2HD1 ILE 33 2HD1 ILE 33 0.681 -4.777 -20.753 272 3HD1 ILE 33 3HD1 ILE 33 -0.929 -5.574 -20.711 273 H ARG 34 H ARG 34 -4.430 -4.996 -16.885 274 HA ARG 34 HA ARG 34 -5.506 -2.729 -15.523 275 1HB ARG 34 1HB ARG 34 -6.158 -5.736 -15.396 276 2HB ARG 34 2HB ARG 34 -7.171 -4.508 -14.584 277 1HG ARG 34 1HG ARG 34 -6.657 -4.639 -17.625 278 2HG ARG 34 2HG ARG 34 -8.046 -5.388 -16.781 279 1HD ARG 34 1HD ARG 34 -7.461 -2.360 -16.977 280 2HD ARG 34 2HD ARG 34 -8.771 -3.274 -17.799 281 HE ARG 34 HE ARG 34 -9.815 -3.687 -15.624 282 1HH1 ARG 34 1HH1 ARG 34 -7.223 -1.164 -15.540 283 2HH1 ARG 34 2HH1 ARG 34 -7.487 -0.776 -13.879 284 1HH2 ARG 34 1HH2 ARG 34 -10.214 -3.018 -13.389 285 2HH2 ARG 34 2HH2 ARG 34 -9.151 -1.868 -12.652 286 H GLU 35 H GLU 35 -4.172 -5.868 -14.023 287 HA GLU 35 HA GLU 35 -4.536 -5.008 -11.360 288 1HB GLU 35 1HB GLU 35 -4.273 -7.348 -12.116 289 2HB GLU 35 2HB GLU 35 -2.558 -7.063 -12.500 290 1HG GLU 35 1HG GLU 35 -3.504 -6.467 -9.641 291 2HG GLU 35 2HG GLU 35 -3.527 -8.180 -10.191 292 H ALA 36 H ALA 36 -1.485 -4.640 -13.466 293 HA ALA 36 HA ALA 36 0.059 -3.489 -11.404 294 1HB ALA 36 1HB ALA 36 1.535 -2.589 -13.206 295 2HB ALA 36 2HB ALA 36 1.078 -4.303 -13.518 296 3HB ALA 36 3HB ALA 36 0.264 -2.984 -14.430 297 H PHE 37 H PHE 37 -1.737 -1.637 -14.065 298 HA PHE 37 HA PHE 37 -1.086 0.908 -13.053 299 1HB PHE 37 1HB PHE 37 -2.119 0.209 -15.355 300 2HB PHE 37 2HB PHE 37 -3.712 0.233 -14.538 301 HD1 PHE 37 HD1 PHE 37 -4.521 2.463 -13.532 302 HD2 PHE 37 HD2 PHE 37 -1.006 2.178 -16.001 303 HE1 PHE 37 HE1 PHE 37 -4.574 4.905 -13.901 304 HE2 PHE 37 HE2 PHE 37 -1.143 4.595 -16.467 305 HZ PHE 37 HZ PHE 37 -2.868 5.968 -15.363 306 H ASP 38 H ASP 38 -4.113 -1.083 -12.325 307 HA ASP 38 HA ASP 38 -5.221 0.808 -10.516 308 1HB ASP 38 1HB ASP 38 -5.656 -2.224 -10.713 309 2HB ASP 38 2HB ASP 38 -6.491 -1.173 -9.513 310 H LEU 39 H LEU 39 -2.790 -1.908 -9.785 311 HA LEU 39 HA LEU 39 -2.820 -1.660 -7.015 312 1HB LEU 39 1HB LEU 39 -0.603 -2.350 -8.979 313 2HB LEU 39 2HB LEU 39 -0.185 -2.111 -7.257 314 HG LEU 39 HG LEU 39 -2.261 -4.149 -8.216 315 1HD1 LEU 39 1HD1 LEU 39 -0.469 -5.846 -7.741 316 2HD1 LEU 39 2HD1 LEU 39 -0.027 -4.738 -9.088 317 3HD1 LEU 39 3HD1 LEU 39 0.711 -4.514 -7.456 318 1HD2 LEU 39 1HD2 LEU 39 -1.981 -5.121 -5.925 319 2HD2 LEU 39 2HD2 LEU 39 -0.915 -3.741 -5.467 320 3HD2 LEU 39 3HD2 LEU 39 -2.652 -3.455 -5.859 321 H PHE 40 H PHE 40 -0.917 0.368 -9.350 322 HA PHE 40 HA PHE 40 0.089 2.046 -7.196 323 1HB PHE 40 1HB PHE 40 0.391 2.326 -10.225 324 2HB PHE 40 2HB PHE 40 1.243 3.334 -8.975 325 HD1 PHE 40 HD1 PHE 40 2.462 1.962 -7.062 326 HD2 PHE 40 HD2 PHE 40 1.459 0.308 -10.898 327 HE1 PHE 40 HE1 PHE 40 4.086 0.138 -6.702 328 HE2 PHE 40 HE2 PHE 40 3.060 -1.532 -10.525 329 HZ PHE 40 HZ PHE 40 4.382 -1.625 -8.429 330 H ASP 41 H ASP 41 -2.553 2.497 -9.722 331 HA ASP 41 HA ASP 41 -3.248 5.076 -8.552 332 1HB ASP 41 1HB ASP 41 -3.570 4.584 -11.023 333 2HB ASP 41 2HB ASP 41 -4.875 3.431 -10.579 334 H ALA 42 H ALA 42 -3.437 4.140 -6.289 335 HA ALA 42 HA ALA 42 -5.237 2.025 -5.736 336 1HB ALA 42 1HB ALA 42 -3.260 2.521 -4.315 337 2HB ALA 42 2HB ALA 42 -4.767 2.461 -3.334 338 3HB ALA 42 3HB ALA 42 -4.033 4.053 -3.767 339 H ASP 43 H ASP 43 -5.715 5.575 -5.021 340 HA ASP 43 HA ASP 43 -8.322 5.117 -3.853 341 1HB ASP 43 1HB ASP 43 -6.888 7.728 -4.614 342 2HB ASP 43 2HB ASP 43 -8.430 7.633 -3.684 343 H GLY 44 H GLY 44 -7.355 5.650 -7.217 344 1HA GLY 44 1HA GLY 44 -8.789 5.650 -9.016 345 2HA GLY 44 2HA GLY 44 -10.128 6.290 -7.994 346 H THR 45 H THR 45 -7.040 7.130 -9.662 347 HA THR 45 HA THR 45 -7.729 10.007 -9.403 348 HB THR 45 HB THR 45 -5.351 10.543 -9.340 349 HG1 THR 45 HG1 THR 45 -5.028 7.708 -9.167 350 1HG2 THR 45 1HG2 THR 45 -6.241 8.533 -7.153 351 2HG2 THR 45 2HG2 THR 45 -6.724 10.266 -7.242 352 3HG2 THR 45 3HG2 THR 45 -4.996 9.824 -6.989 353 H GLY 46 H GLY 46 -5.576 7.944 -11.602 354 1HA GLY 46 1HA GLY 46 -6.458 8.469 -14.029 355 2HA GLY 46 2HA GLY 46 -5.834 10.099 -13.580 356 H THR 47 H THR 47 -3.416 9.720 -12.397 357 HA THR 47 HA THR 47 -1.877 8.391 -14.530 358 HB THR 47 HB THR 47 -0.039 9.967 -14.180 359 HG1 THR 47 HG1 THR 47 -0.186 10.835 -12.274 360 1HG2 THR 47 1HG2 THR 47 -2.775 11.298 -14.779 361 2HG2 THR 47 2HG2 THR 47 -1.152 11.882 -15.307 362 3HG2 THR 47 3HG2 THR 47 -1.796 10.325 -15.941 363 H ILE 48 H ILE 48 -0.150 7.134 -14.131 364 HA ILE 48 HA ILE 48 0.623 6.555 -11.313 365 HB ILE 48 HB ILE 48 -0.102 4.498 -12.392 366 1HG1 ILE 48 1HG1 ILE 48 2.974 4.733 -12.245 367 2HG1 ILE 48 2HG1 ILE 48 1.850 4.308 -10.920 368 1HG2 ILE 48 1HG2 ILE 48 0.173 5.346 -14.793 369 2HG2 ILE 48 2HG2 ILE 48 1.928 5.008 -14.656 370 3HG2 ILE 48 3HG2 ILE 48 0.738 3.674 -14.517 371 1HD1 ILE 48 1HD1 ILE 48 2.492 2.657 -13.466 372 2HD1 ILE 48 2HD1 ILE 48 1.183 2.227 -12.304 373 3HD1 ILE 48 3HD1 ILE 48 2.907 2.261 -11.765 374 H ASP 49 H ASP 49 2.488 7.620 -10.795 375 HA ASP 49 HA ASP 49 3.981 8.950 -12.951 376 1HB ASP 49 1HB ASP 49 3.652 9.582 -9.988 377 2HB ASP 49 2HB ASP 49 4.911 10.380 -11.000 378 H VAL 50 H VAL 50 6.211 9.355 -12.823 379 HA VAL 50 HA VAL 50 7.669 7.388 -13.470 380 HB VAL 50 HB VAL 50 8.275 9.661 -13.757 381 1HG1 VAL 50 1HG1 VAL 50 7.886 10.492 -11.425 382 2HG1 VAL 50 2HG1 VAL 50 9.491 10.968 -12.077 383 3HG1 VAL 50 3HG1 VAL 50 9.381 9.638 -10.874 384 1HG2 VAL 50 1HG2 VAL 50 10.633 8.029 -12.619 385 2HG2 VAL 50 2HG2 VAL 50 9.905 7.843 -14.263 386 3HG2 VAL 50 3HG2 VAL 50 10.700 9.388 -13.802 387 H LYS 51 H LYS 51 8.006 8.105 -9.853 388 HA LYS 51 HA LYS 51 9.787 5.986 -9.310 389 1HB LYS 51 1HB LYS 51 7.469 6.974 -7.548 390 2HB LYS 51 2HB LYS 51 8.905 6.053 -6.982 391 1HG LYS 51 1HG LYS 51 10.378 7.970 -7.567 392 2HG LYS 51 2HG LYS 51 8.984 8.864 -8.267 393 1HD LYS 51 1HD LYS 51 7.833 8.807 -6.040 394 2HD LYS 51 2HD LYS 51 9.298 8.046 -5.321 395 1HE LYS 51 1HE LYS 51 10.659 10.078 -5.910 396 2HE LYS 51 2HE LYS 51 9.219 10.818 -6.720 397 1HZ LYS 51 1HZ LYS 51 9.432 10.119 -3.835 398 2HZ LYS 51 2HZ LYS 51 9.544 11.669 -4.516 399 3HZ LYS 51 3HZ LYS 51 8.083 10.808 -4.604 400 H GLU 52 H GLU 52 6.187 5.896 -8.918 401 HA GLU 52 HA GLU 52 5.945 3.105 -8.451 402 1HB GLU 52 1HB GLU 52 3.893 5.172 -9.421 403 2HB GLU 52 2HB GLU 52 3.513 3.551 -8.745 404 1HG GLU 52 1HG GLU 52 4.603 4.206 -6.565 405 2HG GLU 52 2HG GLU 52 4.967 5.841 -7.234 406 H LEU 53 H LEU 53 5.588 5.083 -11.538 407 HA LEU 53 HA LEU 53 4.898 2.936 -13.235 408 1HB LEU 53 1HB LEU 53 4.780 5.375 -13.829 409 2HB LEU 53 2HB LEU 53 6.570 5.438 -13.835 410 HG LEU 53 HG LEU 53 6.619 3.832 -15.763 411 1HD1 LEU 53 1HD1 LEU 53 3.539 4.063 -15.729 412 2HD1 LEU 53 2HD1 LEU 53 4.494 2.577 -15.361 413 3HD1 LEU 53 3HD1 LEU 53 4.534 3.283 -17.006 414 1HD2 LEU 53 1HD2 LEU 53 4.893 6.347 -16.177 415 2HD2 LEU 53 2HD2 LEU 53 5.758 5.439 -17.477 416 3HD2 LEU 53 3HD2 LEU 53 6.689 6.262 -16.169 417 H LYS 54 H LYS 54 8.267 4.009 -12.223 418 HA LYS 54 HA LYS 54 9.670 2.219 -13.864 419 1HB LYS 54 1HB LYS 54 10.585 4.198 -12.536 420 2HB LYS 54 2HB LYS 54 10.663 3.108 -11.115 421 1HG LYS 54 1HG LYS 54 12.222 1.599 -12.406 422 2HG LYS 54 2HG LYS 54 11.954 2.605 -13.872 423 1HD LYS 54 1HD LYS 54 12.931 4.603 -12.574 424 2HD LYS 54 2HD LYS 54 13.363 3.457 -11.266 425 1HE LYS 54 1HE LYS 54 15.338 3.875 -12.705 426 2HE LYS 54 2HE LYS 54 14.808 2.159 -12.919 427 1HZ LYS 54 1HZ LYS 54 13.690 2.815 -14.944 428 2HZ LYS 54 2HZ LYS 54 15.332 3.238 -14.998 429 3HZ LYS 54 3HZ LYS 54 14.157 4.431 -14.731 430 H VAL 55 H VAL 55 8.654 1.602 -10.345 431 HA VAL 55 HA VAL 55 9.505 -1.129 -10.441 432 HB VAL 55 HB VAL 55 8.033 -1.561 -8.495 433 1HG1 VAL 55 1HG1 VAL 55 9.897 0.912 -8.367 434 2HG1 VAL 55 2HG1 VAL 55 10.420 -0.816 -8.324 435 3HG1 VAL 55 3HG1 VAL 55 9.420 -0.141 -6.987 436 1HG2 VAL 55 1HG2 VAL 55 7.396 1.461 -8.761 437 2HG2 VAL 55 2HG2 VAL 55 6.910 0.380 -7.411 438 3HG2 VAL 55 3HG2 VAL 55 6.222 0.126 -9.051 439 H ALA 56 H ALA 56 6.399 0.355 -11.534 440 HA ALA 56 HA ALA 56 5.053 -2.052 -12.132 441 1HB ALA 56 1HB ALA 56 3.656 -0.760 -13.694 442 2HB ALA 56 2HB ALA 56 3.940 0.201 -12.201 443 3HB ALA 56 3HB ALA 56 4.852 0.584 -13.699 444 H MET 57 H MET 57 7.261 -0.102 -14.284 445 HA MET 57 HA MET 57 7.275 -1.995 -16.414 446 1HB MET 57 1HB MET 57 9.168 0.283 -15.737 447 2HB MET 57 2HB MET 57 9.254 -0.729 -17.231 448 1HG MET 57 1HG MET 57 6.958 -0.124 -17.859 449 2HG MET 57 2HG MET 57 6.733 0.832 -16.372 450 1HE MET 57 1HE MET 57 6.600 1.534 -19.840 451 2HE MET 57 2HE MET 57 5.694 2.180 -18.430 452 3HE MET 57 3HE MET 57 6.646 3.292 -19.470 453 H ARG 58 H ARG 58 9.265 -2.023 -13.367 454 HA ARG 58 HA ARG 58 11.139 -3.991 -14.258 455 1HB ARG 58 1HB ARG 58 9.935 -3.637 -11.450 456 2HB ARG 58 2HB ARG 58 11.317 -4.716 -11.846 457 1HG ARG 58 1HG ARG 58 12.687 -2.765 -12.539 458 2HG ARG 58 2HG ARG 58 11.303 -1.669 -12.197 459 1HD ARG 58 1HD ARG 58 11.314 -2.501 -9.772 460 2HD ARG 58 2HD ARG 58 12.852 -3.396 -10.146 461 HE ARG 58 HE ARG 58 13.177 -0.694 -11.008 462 1HH1 ARG 58 1HH1 ARG 58 12.702 -2.503 -7.948 463 2HH1 ARG 58 2HH1 ARG 58 13.485 -1.343 -6.958 464 1HH2 ARG 58 1HH2 ARG 58 14.266 0.905 -9.630 465 2HH2 ARG 58 2HH2 ARG 58 14.395 0.645 -7.941 466 H ALA 59 H ALA 59 7.854 -4.482 -12.565 467 HA ALA 59 HA ALA 59 7.798 -7.299 -12.911 468 1HB ALA 59 1HB ALA 59 5.446 -5.324 -12.756 469 2HB ALA 59 2HB ALA 59 5.338 -7.111 -12.526 470 3HB ALA 59 3HB ALA 59 6.263 -6.107 -11.356 471 H LEU 60 H LEU 60 6.252 -4.754 -15.073 472 HA LEU 60 HA LEU 60 5.142 -6.689 -16.862 473 1HB LEU 60 1HB LEU 60 4.236 -4.443 -16.296 474 2HB LEU 60 2HB LEU 60 5.569 -3.652 -17.180 475 HG LEU 60 HG LEU 60 3.710 -5.638 -18.596 476 1HD1 LEU 60 1HD1 LEU 60 2.208 -4.116 -17.332 477 2HD1 LEU 60 2HD1 LEU 60 3.047 -2.680 -18.034 478 3HD1 LEU 60 3HD1 LEU 60 2.119 -3.795 -19.099 479 1HD2 LEU 60 1HD2 LEU 60 5.608 -4.776 -19.979 480 2HD2 LEU 60 2HD2 LEU 60 5.156 -3.085 -19.582 481 3HD2 LEU 60 3HD2 LEU 60 4.057 -4.118 -20.570 482 H GLY 61 H GLY 61 8.144 -4.610 -17.178 483 1HA GLY 61 1HA GLY 61 8.684 -5.008 -19.858 484 2HA GLY 61 2HA GLY 61 9.870 -4.731 -18.540 485 H PHE 62 H PHE 62 9.585 -7.340 -17.211 486 HA PHE 62 HA PHE 62 10.187 -9.463 -17.292 487 1HB PHE 62 1HB PHE 62 9.915 -9.611 -20.337 488 2HB PHE 62 2HB PHE 62 9.911 -10.985 -19.168 489 HD1 PHE 62 HD1 PHE 62 7.998 -10.332 -17.111 490 HD2 PHE 62 HD2 PHE 62 7.862 -9.412 -21.318 491 HE1 PHE 62 HE1 PHE 62 5.533 -10.296 -17.033 492 HE2 PHE 62 HE2 PHE 62 5.391 -9.395 -21.229 493 HZ PHE 62 HZ PHE 62 4.224 -9.846 -19.085 494 H GLU 63 H GLU 63 12.188 -10.925 -17.656 495 HA GLU 63 HA GLU 63 14.314 -9.572 -19.266 496 1HB GLU 63 1HB GLU 63 14.723 -10.960 -16.584 497 2HB GLU 63 2HB GLU 63 16.048 -10.366 -17.657 498 1HG GLU 63 1HG GLU 63 13.845 -8.569 -16.427 499 2HG GLU 63 2HG GLU 63 15.419 -8.933 -15.640 500 HA PRO 64 HA PRO 64 14.330 -11.056 -22.574 501 1HB PRO 64 1HB PRO 64 11.370 -11.337 -22.675 502 2HB PRO 64 2HB PRO 64 12.648 -12.216 -23.616 503 1HG PRO 64 1HG PRO 64 11.336 -13.460 -21.561 504 2HG PRO 64 2HG PRO 64 13.144 -13.662 -21.701 505 1HD PRO 64 1HD PRO 64 11.696 -11.313 -20.377 506 2HD PRO 64 2HD PRO 64 12.317 -12.676 -19.457 507 H LYS 65 H LYS 65 15.007 -8.803 -22.484 508 HA LYS 65 HA LYS 65 13.327 -6.873 -21.252 509 1HB LYS 65 1HB LYS 65 15.718 -6.267 -23.076 510 2HB LYS 65 2HB LYS 65 15.014 -5.228 -21.788 511 1HG LYS 65 1HG LYS 65 15.667 -7.070 -20.108 512 2HG LYS 65 2HG LYS 65 16.481 -7.927 -21.453 513 1HD LYS 65 1HD LYS 65 18.228 -6.780 -20.366 514 2HD LYS 65 2HD LYS 65 17.895 -5.844 -21.859 515 1HE LYS 65 1HE LYS 65 18.275 -4.275 -20.013 516 2HE LYS 65 2HE LYS 65 16.517 -4.192 -20.427 517 1HZ LYS 65 1HZ LYS 65 17.689 -5.812 -18.217 518 2HZ LYS 65 2HZ LYS 65 16.942 -4.295 -18.039 519 3HZ LYS 65 3HZ LYS 65 16.064 -5.661 -18.540 520 H LYS 66 H LYS 66 14.243 -7.045 -24.825 521 HA LYS 66 HA LYS 66 13.394 -6.117 -26.643 522 1HB LYS 66 1HB LYS 66 10.770 -5.379 -25.271 523 2HB LYS 66 2HB LYS 66 11.047 -5.657 -27.018 524 1HG LYS 66 1HG LYS 66 11.111 -7.787 -24.776 525 2HG LYS 66 2HG LYS 66 9.736 -7.422 -25.861 526 1HD LYS 66 1HD LYS 66 11.091 -8.097 -27.846 527 2HD LYS 66 2HD LYS 66 12.467 -8.530 -26.759 528 1HE LYS 66 1HE LYS 66 11.042 -10.245 -25.603 529 2HE LYS 66 2HE LYS 66 9.630 -9.783 -26.637 530 1HZ LYS 66 1HZ LYS 66 10.722 -11.743 -27.430 531 2HZ LYS 66 2HZ LYS 66 10.868 -10.490 -28.564 532 3HZ LYS 66 3HZ LYS 66 12.201 -10.927 -27.605 533 H GLU 67 H GLU 67 12.659 -4.057 -27.778 534 HA GLU 67 HA GLU 67 13.809 -1.735 -26.440 535 1HB GLU 67 1HB GLU 67 12.735 -2.084 -29.290 536 2HB GLU 67 2HB GLU 67 13.499 -0.593 -28.636 537 1HG GLU 67 1HG GLU 67 15.629 -1.882 -28.205 538 2HG GLU 67 2HG GLU 67 14.876 -3.337 -28.962 539 H GLU 68 H GLU 68 11.968 -1.490 -24.803 540 HA GLU 68 HA GLU 68 10.081 0.471 -25.851 541 1HB GLU 68 1HB GLU 68 8.070 -0.576 -24.732 542 2HB GLU 68 2HB GLU 68 8.692 -1.424 -26.184 543 1HG GLU 68 1HG GLU 68 9.869 -3.110 -24.724 544 2HG GLU 68 2HG GLU 68 9.100 -2.352 -23.275 545 H ILE 69 H ILE 69 11.052 -1.154 -22.626 546 HA ILE 69 HA ILE 69 9.694 0.852 -21.158 547 HB ILE 69 HB ILE 69 12.086 -0.979 -20.527 548 1HG1 ILE 69 1HG1 ILE 69 10.318 -2.391 -21.267 549 2HG1 ILE 69 2HG1 ILE 69 10.384 -2.494 -19.489 550 1HG2 ILE 69 1HG2 ILE 69 11.313 -0.835 -18.109 551 2HG2 ILE 69 2HG2 ILE 69 12.088 0.647 -18.747 552 3HG2 ILE 69 3HG2 ILE 69 10.300 0.579 -18.590 553 1HD1 ILE 69 1HD1 ILE 69 8.397 -0.882 -19.378 554 2HD1 ILE 69 2HD1 ILE 69 8.283 -0.971 -21.172 555 3HD1 ILE 69 3HD1 ILE 69 8.043 -2.452 -20.185 556 H LYS 70 H LYS 70 13.331 0.780 -22.006 557 HA LYS 70 HA LYS 70 13.901 3.207 -20.595 558 1HB LYS 70 1HB LYS 70 15.672 1.605 -21.385 559 2HB LYS 70 2HB LYS 70 15.327 2.095 -23.079 560 1HG LYS 70 1HG LYS 70 16.013 4.455 -22.517 561 2HG LYS 70 2HG LYS 70 16.311 3.956 -20.816 562 1HD LYS 70 1HD LYS 70 18.097 2.386 -21.593 563 2HD LYS 70 2HD LYS 70 17.773 2.862 -23.300 564 1HE LYS 70 1HE LYS 70 18.430 5.242 -22.767 565 2HE LYS 70 2HE LYS 70 18.762 4.764 -21.054 566 1HZ LYS 70 1HZ LYS 70 20.146 3.712 -23.471 567 2HZ LYS 70 2HZ LYS 70 20.749 4.850 -22.367 568 3HZ LYS 70 3HZ LYS 70 20.457 3.257 -21.864 569 H LYS 71 H LYS 71 12.893 2.638 -24.073 570 HA LYS 71 HA LYS 71 12.843 5.341 -24.896 571 1HB LYS 71 1HB LYS 71 11.054 3.033 -25.841 572 2HB LYS 71 2HB LYS 71 11.255 4.618 -26.667 573 1HG LYS 71 1HG LYS 71 13.723 4.155 -26.908 574 2HG LYS 71 2HG LYS 71 13.473 2.526 -26.191 575 1HD LYS 71 1HD LYS 71 11.930 1.933 -28.063 576 2HD LYS 71 2HD LYS 71 12.181 3.566 -28.789 577 1HE LYS 71 1HE LYS 71 14.646 3.068 -29.066 578 2HE LYS 71 2HE LYS 71 14.395 1.455 -28.295 579 1HZ LYS 71 1HZ LYS 71 14.340 0.936 -30.447 580 2HZ LYS 71 2HZ LYS 71 12.681 1.174 -30.195 581 3HZ LYS 71 3HZ LYS 71 13.593 2.387 -30.966 582 H MET 72 H MET 72 10.001 3.378 -23.480 583 HA MET 72 HA MET 72 8.193 5.520 -23.580 584 1HB MET 72 1HB MET 72 8.252 2.952 -21.989 585 2HB MET 72 2HB MET 72 7.063 4.221 -21.552 586 1HG MET 72 1HG MET 72 5.983 2.678 -22.979 587 2HG MET 72 2HG MET 72 6.096 4.266 -23.783 588 1HE MET 72 1HE MET 72 8.281 4.709 -25.693 589 2HE MET 72 2HE MET 72 7.860 3.662 -27.085 590 3HE MET 72 3HE MET 72 6.570 4.520 -26.183 591 H ILE 73 H ILE 73 10.391 4.749 -20.663 592 HA ILE 73 HA ILE 73 9.389 6.913 -19.095 593 HB ILE 73 HB ILE 73 12.154 5.618 -19.162 594 1HG1 ILE 73 1HG1 ILE 73 10.280 4.056 -18.582 595 2HG1 ILE 73 2HG1 ILE 73 11.453 4.305 -17.258 596 1HG2 ILE 73 1HG2 ILE 73 10.954 7.591 -17.105 597 2HG2 ILE 73 2HG2 ILE 73 12.412 6.575 -16.811 598 3HG2 ILE 73 3HG2 ILE 73 12.434 7.823 -18.099 599 1HD1 ILE 73 1HD1 ILE 73 8.653 5.604 -17.438 600 2HD1 ILE 73 2HD1 ILE 73 9.143 4.251 -16.363 601 3HD1 ILE 73 3HD1 ILE 73 9.841 5.883 -16.112 602 H SER 74 H SER 74 12.406 6.972 -21.321 603 HA SER 74 HA SER 74 12.816 9.736 -20.940 604 1HB SER 74 1HB SER 74 13.608 7.993 -23.339 605 2HB SER 74 2HB SER 74 14.329 9.598 -22.922 606 HG SER 74 HG SER 74 15.115 8.728 -21.054 607 H GLU 75 H GLU 75 10.452 8.258 -23.113 608 HA GLU 75 HA GLU 75 10.069 10.538 -24.839 609 1HB GLU 75 1HB GLU 75 9.609 8.163 -25.511 610 2HB GLU 75 2HB GLU 75 8.360 8.049 -24.229 611 1HG GLU 75 1HG GLU 75 6.981 9.793 -25.464 612 2HG GLU 75 2HG GLU 75 8.260 9.864 -26.737 613 H ILE 76 H ILE 76 8.145 9.140 -21.970 614 HA ILE 76 HA ILE 76 6.452 11.480 -22.044 615 HB ILE 76 HB ILE 76 6.096 9.496 -19.844 616 1HG1 ILE 76 1HG1 ILE 76 5.197 9.298 -22.798 617 2HG1 ILE 76 2HG1 ILE 76 6.304 8.166 -21.961 618 1HG2 ILE 76 1HG2 ILE 76 4.407 11.496 -21.532 619 2HG2 ILE 76 2HG2 ILE 76 4.821 11.641 -19.784 620 3HG2 ILE 76 3HG2 ILE 76 3.694 10.368 -20.350 621 1HD1 ILE 76 1HD1 ILE 76 3.315 8.543 -21.322 622 2HD1 ILE 76 2HD1 ILE 76 4.458 7.502 -20.387 623 3HD1 ILE 76 3HD1 ILE 76 4.108 7.148 -22.123 624 H ASP 77 H ASP 77 9.348 10.625 -20.075 625 HA ASP 77 HA ASP 77 9.057 12.909 -18.301 626 1HB ASP 77 1HB ASP 77 11.471 11.121 -18.963 627 2HB ASP 77 2HB ASP 77 11.649 12.631 -18.005 628 H LYS 78 H LYS 78 8.452 14.495 -20.042 629 HA LYS 78 HA LYS 78 10.777 15.777 -21.323 630 1HB LYS 78 1HB LYS 78 9.968 13.897 -22.792 631 2HB LYS 78 2HB LYS 78 8.352 14.660 -22.847 632 1HG LYS 78 1HG LYS 78 9.328 16.632 -24.032 633 2HG LYS 78 2HG LYS 78 10.967 15.882 -23.940 634 1HD LYS 78 1HD LYS 78 10.240 14.010 -25.372 635 2HD LYS 78 2HD LYS 78 8.522 14.507 -25.221 636 1HE LYS 78 1HE LYS 78 9.459 15.120 -27.468 637 2HE LYS 78 2HE LYS 78 8.895 16.562 -26.531 638 1HZ LYS 78 1HZ LYS 78 11.008 16.935 -27.580 639 2HZ LYS 78 2HZ LYS 78 11.153 16.979 -25.887 640 3HZ LYS 78 3HZ LYS 78 11.707 15.624 -26.751 641 H GLU 79 H GLU 79 7.158 15.996 -20.907 642 HA GLU 79 HA GLU 79 7.195 18.799 -21.804 643 1HB GLU 79 1HB GLU 79 4.976 16.733 -21.372 644 2HB GLU 79 2HB GLU 79 4.590 18.483 -21.478 645 1HG GLU 79 1HG GLU 79 4.201 17.498 -23.628 646 2HG GLU 79 2HG GLU 79 5.580 18.653 -23.733 647 H GLY 80 H GLY 80 5.613 16.960 -19.070 648 1HA GLY 80 1HA GLY 80 6.473 19.096 -17.244 649 2HA GLY 80 2HA GLY 80 4.741 18.608 -17.292 650 H THR 81 H THR 81 7.876 16.819 -17.356 651 HA THR 81 HA THR 81 8.790 15.302 -16.158 652 HB THR 81 HB THR 81 8.622 14.890 -13.814 653 HG1 THR 81 HG1 THR 81 6.401 15.157 -13.525 654 1HG2 THR 81 1HG2 THR 81 9.923 16.833 -14.758 655 2HG2 THR 81 2HG2 THR 81 8.475 17.892 -14.575 656 3HG2 THR 81 3HG2 THR 81 9.268 17.189 -13.120 657 H GLY 82 H GLY 82 8.694 13.035 -15.266 658 1HA GLY 82 1HA GLY 82 7.213 11.559 -17.075 659 2HA GLY 82 2HA GLY 82 8.154 10.955 -15.673 660 H LYS 83 H LYS 83 5.211 11.048 -17.142 661 HA LYS 83 HA LYS 83 3.784 9.878 -14.925 662 1HB LYS 83 1HB LYS 83 1.865 11.435 -14.970 663 2HB LYS 83 2HB LYS 83 3.379 12.213 -14.426 664 1HG LYS 83 1HG LYS 83 3.645 12.949 -16.964 665 2HG LYS 83 2HG LYS 83 1.882 12.620 -17.059 666 1HD LYS 83 1HD LYS 83 1.536 14.213 -15.117 667 2HD LYS 83 2HD LYS 83 3.321 14.438 -15.025 668 1HE LYS 83 1HE LYS 83 3.259 15.334 -17.442 669 2HE LYS 83 2HE LYS 83 1.451 15.326 -17.326 670 1HZ LYS 83 1HZ LYS 83 3.409 16.823 -15.672 671 2HZ LYS 83 2HZ LYS 83 2.257 17.456 -16.754 672 3HZ LYS 83 3HZ LYS 83 1.746 16.732 -15.302 673 H MET 84 H MET 84 2.159 8.468 -15.618 674 HA MET 84 HA MET 84 1.571 8.426 -18.524 675 1HB MET 84 1HB MET 84 3.278 6.718 -17.519 676 2HB MET 84 2HB MET 84 1.852 5.891 -16.827 677 1HG MET 84 1HG MET 84 0.992 5.453 -19.106 678 2HG MET 84 2HG MET 84 2.182 6.600 -19.806 679 1HE MET 84 1HE MET 84 2.097 4.111 -21.328 680 2HE MET 84 2HE MET 84 3.753 3.416 -21.324 681 3HE MET 84 3HE MET 84 3.518 5.180 -21.543 682 H ASN 85 H ASN 85 -0.628 8.319 -19.015 683 HA ASN 85 HA ASN 85 -2.469 7.623 -16.805 684 1HB ASN 85 1HB ASN 85 -4.205 8.792 -17.624 685 2HB ASN 85 2HB ASN 85 -2.850 9.852 -18.114 686 1HD2 ASN 85 1HD2 ASN 85 -2.065 9.389 -20.585 687 2HD2 ASN 85 2HD2 ASN 85 -3.393 9.276 -21.679 688 H PHE 86 H PHE 86 -4.521 6.270 -17.649 689 HA PHE 86 HA PHE 86 -3.412 3.824 -18.555 690 1HB PHE 86 1HB PHE 86 -5.487 4.262 -16.999 691 2HB PHE 86 2HB PHE 86 -6.437 4.427 -18.520 692 HD1 PHE 86 HD1 PHE 86 -7.725 2.454 -18.719 693 HD2 PHE 86 HD2 PHE 86 -3.663 2.090 -17.358 694 HE1 PHE 86 HE1 PHE 86 -7.944 -0.010 -18.682 695 HE2 PHE 86 HE2 PHE 86 -3.898 -0.348 -17.291 696 HZ PHE 86 HZ PHE 86 -5.989 -1.416 -18.032 697 H GLY 87 H GLY 87 -4.998 6.426 -20.512 698 1HA GLY 87 1HA GLY 87 -5.416 4.871 -22.874 699 2HA GLY 87 2HA GLY 87 -5.173 6.654 -22.736 700 H ASP 88 H ASP 88 -2.491 6.887 -21.815 701 HA ASP 88 HA ASP 88 -0.768 6.245 -23.943 702 1HB ASP 88 1HB ASP 88 0.125 6.449 -20.993 703 2HB ASP 88 2HB ASP 88 1.132 6.733 -22.459 704 H PHE 89 H PHE 89 -1.111 4.566 -20.707 705 HA PHE 89 HA PHE 89 0.665 2.484 -21.108 706 1HB PHE 89 1HB PHE 89 -0.618 3.344 -18.981 707 2HB PHE 89 2HB PHE 89 -1.915 2.198 -19.453 708 HD1 PHE 89 HD1 PHE 89 1.908 2.056 -19.300 709 HD2 PHE 89 HD2 PHE 89 -1.828 0.399 -18.002 710 HE1 PHE 89 HE1 PHE 89 3.121 0.447 -17.885 711 HE2 PHE 89 HE2 PHE 89 -0.611 -1.246 -16.609 712 HZ PHE 89 HZ PHE 89 1.865 -1.215 -16.533 713 H LEU 90 H LEU 90 -2.942 2.284 -21.803 714 HA LEU 90 HA LEU 90 -2.874 -0.459 -22.615 715 1HB LEU 90 1HB LEU 90 -4.781 1.866 -23.262 716 2HB LEU 90 2HB LEU 90 -5.065 0.223 -23.927 717 HG LEU 90 HG LEU 90 -4.924 0.799 -20.923 718 1HD1 LEU 90 1HD1 LEU 90 -7.353 0.653 -22.829 719 2HD1 LEU 90 2HD1 LEU 90 -6.776 2.097 -21.913 720 3HD1 LEU 90 3HD1 LEU 90 -7.453 0.678 -21.033 721 1HD2 LEU 90 1HD2 LEU 90 -6.057 -1.417 -20.732 722 2HD2 LEU 90 2HD2 LEU 90 -6.028 -1.610 -22.524 723 3HD2 LEU 90 3HD2 LEU 90 -4.489 -1.597 -21.596 724 H THR 91 H THR 91 -2.871 2.613 -24.745 725 HA THR 91 HA THR 91 -2.793 1.126 -27.156 726 HB THR 91 HB THR 91 -2.121 3.222 -28.284 727 HG1 THR 91 HG1 THR 91 -1.866 5.042 -27.064 728 1HG2 THR 91 1HG2 THR 91 -4.372 3.528 -26.164 729 2HG2 THR 91 2HG2 THR 91 -4.527 2.659 -27.735 730 3HG2 THR 91 3HG2 THR 91 -4.226 4.432 -27.712 731 H VAL 92 H VAL 92 0.009 2.547 -25.253 732 HA VAL 92 HA VAL 92 1.880 1.649 -27.191 733 HB VAL 92 HB VAL 92 2.150 3.579 -25.590 734 1HG1 VAL 92 1HG1 VAL 92 3.446 1.406 -23.818 735 2HG1 VAL 92 2HG1 VAL 92 3.406 3.179 -23.544 736 3HG1 VAL 92 3HG1 VAL 92 1.881 2.221 -23.440 737 1HG2 VAL 92 1HG2 VAL 92 4.498 1.657 -26.132 738 2HG2 VAL 92 2HG2 VAL 92 3.773 2.791 -27.337 739 3HG2 VAL 92 3HG2 VAL 92 4.586 3.436 -25.868 740 H MET 93 H MET 93 0.999 0.025 -23.969 741 HA MET 93 HA MET 93 2.756 -2.153 -24.408 742 1HB MET 93 1HB MET 93 0.295 -1.880 -22.651 743 2HB MET 93 2HB MET 93 1.111 -3.462 -22.860 744 1HG MET 93 1HG MET 93 1.985 -2.489 -20.876 745 2HG MET 93 2HG MET 93 3.260 -2.573 -22.127 746 1HE MET 93 1HE MET 93 4.009 -1.109 -19.671 747 2HE MET 93 2HE MET 93 4.983 -1.068 -21.184 748 3HE MET 93 3HE MET 93 4.644 0.453 -20.286 749 H THR 94 H THR 94 -0.757 -1.880 -25.592 750 HA THR 94 HA THR 94 -0.780 -4.486 -26.708 751 HB THR 94 HB THR 94 -2.224 -2.033 -27.809 752 HG1 THR 94 HG1 THR 94 -2.872 -3.922 -25.808 753 1HG2 THR 94 1HG2 THR 94 -2.250 -3.993 -29.393 754 2HG2 THR 94 2HG2 THR 94 -3.863 -3.784 -28.633 755 3HG2 THR 94 3HG2 THR 94 -2.756 -5.087 -28.055 756 H GLN 95 H GLN 95 0.038 -1.336 -28.512 757 HA GLN 95 HA GLN 95 0.795 -2.657 -30.880 758 1HB GLN 95 1HB GLN 95 0.177 -0.223 -30.590 759 2HB GLN 95 2HB GLN 95 1.770 0.054 -29.815 760 1HG GLN 95 1HG GLN 95 2.909 -0.624 -31.984 761 2HG GLN 95 2HG GLN 95 1.283 -0.911 -32.720 762 1HE2 GLN 95 1HE2 GLN 95 2.551 0.830 -34.174 763 2HE2 GLN 95 2HE2 GLN 95 2.160 2.484 -33.833 764 H LYS 96 H LYS 96 3.000 -1.761 -28.061 765 HA LYS 96 HA LYS 96 5.352 -2.581 -29.537 766 1HB LYS 96 1HB LYS 96 5.056 -2.025 -26.548 767 2HB LYS 96 2HB LYS 96 6.602 -2.276 -27.413 768 1HG LYS 96 1HG LYS 96 4.582 0.013 -27.871 769 2HG LYS 96 2HG LYS 96 6.124 0.139 -26.985 770 1HD LYS 96 1HD LYS 96 5.767 -0.473 -30.003 771 2HD LYS 96 2HD LYS 96 6.155 1.124 -29.304 772 1HE LYS 96 1HE LYS 96 7.963 -1.388 -29.091 773 2HE LYS 96 2HE LYS 96 8.200 -0.009 -30.235 774 1HZ LYS 96 1HZ LYS 96 8.063 0.302 -27.292 775 2HZ LYS 96 2HZ LYS 96 9.510 0.040 -28.144 776 3HZ LYS 96 3HZ LYS 96 8.576 1.443 -28.440 777 H MET 97 H MET 97 3.496 -4.273 -26.794 778 HA MET 97 HA MET 97 5.310 -6.534 -26.970 779 1HB MET 97 1HB MET 97 2.685 -6.157 -25.447 780 2HB MET 97 2HB MET 97 3.649 -7.665 -25.390 781 1HG MET 97 1HG MET 97 4.801 -4.936 -24.568 782 2HG MET 97 2HG MET 97 3.945 -6.043 -23.454 783 1HE MET 97 1HE MET 97 7.507 -6.560 -22.119 784 2HE MET 97 2HE MET 97 5.766 -6.384 -21.727 785 3HE MET 97 3HE MET 97 6.627 -5.071 -22.605 786 H SER 98 H SER 98 1.670 -6.266 -27.792 787 HA SER 98 HA SER 98 1.703 -8.995 -28.707 788 1HB SER 98 1HB SER 98 -0.547 -6.928 -28.900 789 2HB SER 98 2HB SER 98 -0.672 -8.721 -29.098 790 HG SER 98 HG SER 98 -1.038 -8.675 -27.070 Start of MODEL 9 1 1H MET 1 1H MET 1 -10.689 8.822 -5.015 2 2H MET 1 2H MET 1 -9.498 8.884 -6.228 3 3H MET 1 3H MET 1 -9.057 8.980 -4.572 4 HA MET 1 HA MET 1 -10.744 10.942 -5.991 5 1HB MET 1 1HB MET 1 -9.227 11.197 -3.327 6 2HB MET 1 2HB MET 1 -10.235 12.469 -4.095 7 1HG MET 1 1HG MET 1 -12.219 10.837 -3.958 8 2HG MET 1 2HG MET 1 -11.171 9.762 -2.976 9 1HE MET 1 1HE MET 1 -13.580 10.920 -0.259 10 2HE MET 1 2HE MET 1 -13.909 10.478 -1.970 11 3HE MET 1 3HE MET 1 -12.677 9.570 -1.024 12 H ALA 2 H ALA 2 -9.671 12.221 -7.558 13 HA ALA 2 HA ALA 2 -6.960 11.895 -8.133 14 1HB ALA 2 1HB ALA 2 -8.777 14.223 -8.963 15 2HB ALA 2 2HB ALA 2 -8.630 12.638 -9.811 16 3HB ALA 2 3HB ALA 2 -7.223 13.753 -9.752 17 H SER 3 H SER 3 -8.377 14.628 -6.161 18 HA SER 3 HA SER 3 -5.789 15.902 -5.876 19 1HB SER 3 1HB SER 3 -7.973 17.192 -5.716 20 2HB SER 3 2HB SER 3 -8.298 16.344 -4.159 21 HG SER 3 HG SER 3 -7.326 18.367 -3.878 22 H ASN 4 H ASN 4 -4.202 15.398 -4.316 23 HA ASN 4 HA ASN 4 -4.646 13.013 -2.762 24 1HB ASN 4 1HB ASN 4 -2.469 13.502 -4.007 25 2HB ASN 4 2HB ASN 4 -2.084 14.699 -2.727 26 1HD2 ASN 4 1HD2 ASN 4 -2.936 11.205 -3.305 27 2HD2 ASN 4 2HD2 ASN 4 -2.085 10.575 -1.937 28 H PHE 5 H PHE 5 -6.266 13.714 -1.216 29 HA PHE 5 HA PHE 5 -5.789 15.768 0.699 30 1HB PHE 5 1HB PHE 5 -7.707 13.359 0.892 31 2HB PHE 5 2HB PHE 5 -7.775 14.839 1.922 32 HD1 PHE 5 HD1 PHE 5 -9.063 13.337 -1.031 33 HD2 PHE 5 HD2 PHE 5 -7.857 17.134 0.595 34 HE1 PHE 5 HE1 PHE 5 -10.506 14.499 -2.664 35 HE2 PHE 5 HE2 PHE 5 -9.299 18.289 -1.045 36 HZ PHE 5 HZ PHE 5 -10.632 16.975 -2.672 37 H LYS 6 H LYS 6 -4.540 12.454 0.770 38 HA LYS 6 HA LYS 6 -3.424 11.260 2.233 39 1HB LYS 6 1HB LYS 6 -3.388 13.477 4.321 40 2HB LYS 6 2HB LYS 6 -2.480 11.932 4.348 41 1HG LYS 6 1HG LYS 6 -0.785 13.115 3.429 42 2HG LYS 6 2HG LYS 6 -1.681 12.894 1.889 43 1HD LYS 6 1HD LYS 6 -2.834 15.179 2.413 44 2HD LYS 6 2HD LYS 6 -1.724 15.311 3.810 45 1HE LYS 6 1HE LYS 6 -0.802 16.634 1.986 46 2HE LYS 6 2HE LYS 6 0.252 15.172 2.159 47 1HZ LYS 6 1HZ LYS 6 -1.953 15.505 0.167 48 2HZ LYS 6 2HZ LYS 6 -0.913 14.186 0.277 49 3HZ LYS 6 3HZ LYS 6 -0.294 15.709 -0.134 50 H LYS 7 H LYS 7 -4.715 9.512 2.693 51 HA LYS 7 HA LYS 7 -6.296 8.212 3.512 52 1HB LYS 7 1HB LYS 7 -5.685 8.889 5.820 53 2HB LYS 7 2HB LYS 7 -6.907 10.203 5.744 54 1HG LYS 7 1HG LYS 7 -8.729 8.524 5.472 55 2HG LYS 7 2HG LYS 7 -7.523 7.196 5.453 56 1HD LYS 7 1HD LYS 7 -6.841 7.777 7.786 57 2HD LYS 7 2HD LYS 7 -8.021 9.139 7.790 58 1HE LYS 7 1HE LYS 7 -9.918 7.497 7.484 59 2HE LYS 7 2HE LYS 7 -8.732 6.131 7.504 60 1HZ LYS 7 1HZ LYS 7 -8.108 6.780 9.734 61 2HZ LYS 7 2HZ LYS 7 -9.771 6.460 9.627 62 3HZ LYS 7 3HZ LYS 7 -9.222 8.063 9.712 63 H ALA 8 H ALA 8 -7.290 8.750 1.350 64 HA ALA 8 HA ALA 8 -9.583 10.626 1.467 65 1HB ALA 8 1HB ALA 8 -9.318 10.743 -1.025 66 2HB ALA 8 2HB ALA 8 -7.828 11.251 -0.156 67 3HB ALA 8 3HB ALA 8 -7.911 9.626 -0.912 68 H ASN 9 H ASN 9 -8.897 7.729 -0.749 69 HA ASN 9 HA ASN 9 -11.597 6.698 -0.023 70 1HB ASN 9 1HB ASN 9 -11.429 7.638 -2.370 71 2HB ASN 9 2HB ASN 9 -10.113 6.463 -2.702 72 1HD2 ASN 9 1HD2 ASN 9 -11.265 5.360 -4.347 73 2HD2 ASN 9 2HD2 ASN 9 -12.716 4.446 -4.071 74 H MET 10 H MET 10 -10.402 5.505 1.755 75 HA MET 10 HA MET 10 -8.521 3.444 1.070 76 1HB MET 10 1HB MET 10 -10.188 3.854 3.601 77 2HB MET 10 2HB MET 10 -9.014 2.509 3.379 78 1HG MET 10 1HG MET 10 -7.206 4.161 2.898 79 2HG MET 10 2HG MET 10 -8.321 5.506 3.287 80 1HE MET 10 1HE MET 10 -5.450 4.886 6.116 81 2HE MET 10 2HE MET 10 -5.897 5.848 4.663 82 3HE MET 10 3HE MET 10 -5.351 4.147 4.482 83 H ALA 11 H ALA 11 -12.161 3.266 1.576 84 HA ALA 11 HA ALA 11 -12.180 0.432 0.861 85 1HB ALA 11 1HB ALA 11 -14.663 0.634 0.902 86 2HB ALA 11 2HB ALA 11 -14.511 2.414 1.149 87 3HB ALA 11 3HB ALA 11 -13.932 1.273 2.418 88 H SER 12 H SER 12 -10.923 0.855 -1.224 89 HA SER 12 HA SER 12 -12.226 2.447 -3.241 90 1HB SER 12 1HB SER 12 -9.742 2.518 -2.899 91 2HB SER 12 2HB SER 12 -9.641 0.846 -3.567 92 HG SER 12 HG SER 12 -9.289 2.505 -5.085 93 H SER 13 H SER 13 -13.713 1.733 -4.770 94 HA SER 13 HA SER 13 -14.023 -1.088 -5.349 95 1HB SER 13 1HB SER 13 -15.767 -0.241 -7.020 96 2HB SER 13 2HB SER 13 -16.034 0.230 -5.304 97 HG SER 13 HG SER 13 -14.902 1.801 -7.364 98 H SER 14 H SER 14 -11.611 -1.248 -6.064 99 HA SER 14 HA SER 14 -11.046 -0.280 -8.780 100 1HB SER 14 1HB SER 14 -9.321 -1.911 -6.829 101 2HB SER 14 2HB SER 14 -8.785 -1.260 -8.428 102 HG SER 14 HG SER 14 -9.685 0.218 -6.174 103 H GLN 15 H GLN 15 -12.520 -1.435 -10.076 104 HA GLN 15 HA GLN 15 -13.131 -4.159 -9.675 105 1HB GLN 15 1HB GLN 15 -13.763 -2.379 -12.064 106 2HB GLN 15 2HB GLN 15 -14.505 -3.990 -11.741 107 1HG GLN 15 1HG GLN 15 -15.480 -3.157 -9.606 108 2HG GLN 15 2HG GLN 15 -14.700 -1.551 -9.840 109 1HE2 GLN 15 1HE2 GLN 15 -16.183 -0.058 -10.573 110 2HE2 GLN 15 2HE2 GLN 15 -17.458 -0.358 -11.701 111 H ARG 16 H ARG 16 -11.673 -5.762 -9.986 112 HA ARG 16 HA ARG 16 -9.801 -5.859 -12.145 113 1HB ARG 16 1HB ARG 16 -10.619 -7.748 -9.923 114 2HB ARG 16 2HB ARG 16 -9.516 -8.325 -11.225 115 1HG ARG 16 1HG ARG 16 -7.805 -6.917 -10.692 116 2HG ARG 16 2HG ARG 16 -8.871 -5.631 -10.038 117 1HD ARG 16 1HD ARG 16 -9.110 -6.816 -7.873 118 2HD ARG 16 2HD ARG 16 -8.201 -8.242 -8.530 119 HE ARG 16 HE ARG 16 -6.182 -7.064 -8.358 120 1HH1 ARG 16 1HH1 ARG 16 -8.805 -4.551 -8.059 121 2HH1 ARG 16 2HH1 ARG 16 -7.628 -3.294 -7.959 122 1HH2 ARG 16 1HH2 ARG 16 -4.773 -5.344 -8.081 123 2HH2 ARG 16 2HH2 ARG 16 -5.377 -3.702 -7.898 124 H LYS 17 H LYS 17 -12.934 -7.738 -11.723 125 HA LYS 17 HA LYS 17 -12.635 -8.778 -14.453 126 1HB LYS 17 1HB LYS 17 -13.564 -10.231 -12.622 127 2HB LYS 17 2HB LYS 17 -14.983 -9.136 -12.519 128 1HG LYS 17 1HG LYS 17 -15.522 -9.637 -14.928 129 2HG LYS 17 2HG LYS 17 -14.118 -10.747 -15.018 130 1HD LYS 17 1HD LYS 17 -16.579 -11.027 -13.165 131 2HD LYS 17 2HD LYS 17 -16.349 -11.894 -14.716 132 1HE LYS 17 1HE LYS 17 -14.592 -12.234 -12.178 133 2HE LYS 17 2HE LYS 17 -15.858 -13.375 -12.774 134 1HZ LYS 17 1HZ LYS 17 -13.366 -12.623 -14.215 135 2HZ LYS 17 2HZ LYS 17 -14.561 -13.696 -14.772 136 3HZ LYS 17 3HZ LYS 17 -13.662 -14.071 -13.383 137 H ARG 18 H ARG 18 -13.122 -7.322 -16.105 138 HA ARG 18 HA ARG 18 -15.690 -5.840 -15.960 139 1HB ARG 18 1HB ARG 18 -12.984 -4.780 -16.978 140 2HB ARG 18 2HB ARG 18 -14.546 -4.013 -17.404 141 1HG ARG 18 1HG ARG 18 -13.399 -4.310 -14.558 142 2HG ARG 18 2HG ARG 18 -13.339 -2.835 -15.572 143 1HD ARG 18 1HD ARG 18 -15.885 -4.175 -14.421 144 2HD ARG 18 2HD ARG 18 -15.145 -2.593 -13.930 145 HE ARG 18 HE ARG 18 -15.636 -2.419 -16.711 146 1HH1 ARG 18 1HH1 ARG 18 -17.537 -2.711 -13.658 147 2HH1 ARG 18 2HH1 ARG 18 -18.986 -2.106 -14.350 148 1HH2 ARG 18 1HH2 ARG 18 -17.622 -1.495 -17.599 149 2HH2 ARG 18 2HH2 ARG 18 -19.019 -1.343 -16.618 150 H MET 19 H MET 19 -13.037 -6.566 -18.449 151 HA MET 19 HA MET 19 -15.214 -7.333 -20.326 152 1HB MET 19 1HB MET 19 -14.264 -5.176 -21.034 153 2HB MET 19 2HB MET 19 -12.604 -5.839 -20.917 154 1HG MET 19 1HG MET 19 -13.354 -5.656 -23.252 155 2HG MET 19 2HG MET 19 -12.998 -7.346 -22.818 156 1HE MET 19 1HE MET 19 -14.002 -8.173 -24.934 157 2HE MET 19 2HE MET 19 -15.617 -7.717 -25.580 158 3HE MET 19 3HE MET 19 -14.335 -6.474 -25.401 159 H SER 20 H SER 20 -15.132 -9.526 -20.753 160 HA SER 20 HA SER 20 -12.930 -11.210 -20.316 161 1HB SER 20 1HB SER 20 -14.259 -12.855 -21.802 162 2HB SER 20 2HB SER 20 -15.135 -12.175 -20.382 163 HG SER 20 HG SER 20 -15.241 -11.200 -23.035 164 HA PRO 21 HA PRO 21 -10.422 -10.407 -23.973 165 1HB PRO 21 1HB PRO 21 -9.003 -12.801 -24.348 166 2HB PRO 21 2HB PRO 21 -8.682 -11.622 -23.018 167 1HG PRO 21 1HG PRO 21 -10.417 -14.144 -22.898 168 2HG PRO 21 2HG PRO 21 -9.103 -13.638 -21.758 169 1HD PRO 21 1HD PRO 21 -11.772 -13.146 -21.219 170 2HD PRO 21 2HD PRO 21 -10.505 -11.895 -20.807 171 H LYS 22 H LYS 22 -10.992 -10.158 -26.038 172 HA LYS 22 HA LYS 22 -11.942 -12.463 -27.615 173 1HB LYS 22 1HB LYS 22 -13.353 -9.749 -27.760 174 2HB LYS 22 2HB LYS 22 -13.823 -11.295 -28.578 175 1HG LYS 22 1HG LYS 22 -14.306 -12.301 -26.323 176 2HG LYS 22 2HG LYS 22 -13.990 -10.691 -25.584 177 1HD LYS 22 1HD LYS 22 -15.788 -9.694 -27.045 178 2HD LYS 22 2HD LYS 22 -16.158 -11.347 -27.661 179 1HE LYS 22 1HE LYS 22 -16.716 -12.081 -25.295 180 2HE LYS 22 2HE LYS 22 -16.368 -10.401 -24.713 181 1HZ LYS 22 1HZ LYS 22 -18.140 -9.602 -26.127 182 2HZ LYS 22 2HZ LYS 22 -18.699 -10.779 -25.039 183 3HZ LYS 22 3HZ LYS 22 -18.468 -11.178 -26.671 184 HA PRO 23 HA PRO 23 -9.172 -10.243 -30.576 185 1HB PRO 23 1HB PRO 23 -10.219 -8.786 -32.657 186 2HB PRO 23 2HB PRO 23 -10.368 -10.579 -32.520 187 1HG PRO 23 1HG PRO 23 -12.423 -8.466 -31.700 188 2HG PRO 23 2HG PRO 23 -12.688 -9.947 -32.711 189 1HD PRO 23 1HD PRO 23 -13.221 -9.824 -30.020 190 2HD PRO 23 2HD PRO 23 -12.599 -11.376 -30.765 191 H GLU 24 H GLU 24 -8.461 -9.037 -28.761 192 HA GLU 24 HA GLU 24 -8.013 -6.258 -29.185 193 1HB GLU 24 1HB GLU 24 -8.901 -5.674 -26.709 194 2HB GLU 24 2HB GLU 24 -9.796 -5.414 -28.222 195 1HG GLU 24 1HG GLU 24 -11.438 -6.206 -26.875 196 2HG GLU 24 2HG GLU 24 -11.031 -7.663 -27.826 197 H LEU 25 H LEU 25 -7.975 -8.326 -26.126 198 HA LEU 25 HA LEU 25 -5.146 -8.691 -26.397 199 1HB LEU 25 1HB LEU 25 -4.283 -7.570 -24.487 200 2HB LEU 25 2HB LEU 25 -5.013 -6.383 -25.585 201 HG LEU 25 HG LEU 25 -6.369 -7.445 -23.037 202 1HD1 LEU 25 1HD1 LEU 25 -4.742 -4.865 -23.432 203 2HD1 LEU 25 2HD1 LEU 25 -5.673 -5.314 -21.951 204 3HD1 LEU 25 3HD1 LEU 25 -4.255 -6.298 -22.459 205 1HD2 LEU 25 1HD2 LEU 25 -8.046 -6.473 -24.580 206 2HD2 LEU 25 2HD2 LEU 25 -7.025 -5.005 -24.818 207 3HD2 LEU 25 3HD2 LEU 25 -7.771 -5.343 -23.212 208 H THR 26 H THR 26 -4.341 -10.534 -25.052 209 HA THR 26 HA THR 26 -6.625 -12.055 -23.980 210 HB THR 26 HB THR 26 -5.020 -14.009 -24.261 211 HG1 THR 26 HG1 THR 26 -3.157 -13.605 -25.309 212 1HG2 THR 26 1HG2 THR 26 -5.269 -13.997 -26.732 213 2HG2 THR 26 2HG2 THR 26 -6.754 -13.340 -25.957 214 3HG2 THR 26 3HG2 THR 26 -5.574 -12.222 -26.735 215 H GLU 27 H GLU 27 -5.155 -13.958 -22.324 216 HA GLU 27 HA GLU 27 -5.567 -12.828 -19.891 217 1HB GLU 27 1HB GLU 27 -3.885 -15.290 -20.607 218 2HB GLU 27 2HB GLU 27 -4.351 -14.846 -18.932 219 1HG GLU 27 1HG GLU 27 -5.899 -16.524 -19.638 220 2HG GLU 27 2HG GLU 27 -6.782 -14.960 -19.558 221 H GLU 28 H GLU 28 -2.220 -13.539 -21.130 222 HA GLU 28 HA GLU 28 -0.696 -12.356 -19.136 223 1HB GLU 28 1HB GLU 28 0.247 -13.730 -20.884 224 2HB GLU 28 2HB GLU 28 -0.239 -12.579 -22.159 225 1HG GLU 28 1HG GLU 28 1.719 -11.710 -19.937 226 2HG GLU 28 2HG GLU 28 2.281 -12.737 -21.306 227 H GLN 29 H GLN 29 -1.882 -10.599 -22.142 228 HA GLN 29 HA GLN 29 -0.812 -8.129 -21.289 229 1HB GLN 29 1HB GLN 29 -2.947 -8.622 -23.386 230 2HB GLN 29 2HB GLN 29 -2.099 -7.053 -23.078 231 1HG GLN 29 1HG GLN 29 0.121 -8.461 -23.350 232 2HG GLN 29 2HG GLN 29 -0.905 -9.698 -24.142 233 1HE2 GLN 29 1HE2 GLN 29 -2.204 -8.901 -26.118 234 2HE2 GLN 29 2HE2 GLN 29 -1.502 -7.638 -27.085 235 H LYS 30 H LYS 30 -4.306 -9.227 -21.073 236 HA LYS 30 HA LYS 30 -5.469 -7.072 -19.804 237 1HB LYS 30 1HB LYS 30 -5.817 -10.065 -19.238 238 2HB LYS 30 2HB LYS 30 -6.920 -8.826 -18.548 239 1HG LYS 30 1HG LYS 30 -6.509 -9.109 -21.575 240 2HG LYS 30 2HG LYS 30 -7.630 -10.159 -20.654 241 1HD LYS 30 1HD LYS 30 -8.896 -8.183 -19.850 242 2HD LYS 30 2HD LYS 30 -7.800 -7.090 -20.780 243 1HE LYS 30 1HE LYS 30 -8.497 -8.156 -22.921 244 2HE LYS 30 2HE LYS 30 -9.527 -9.346 -22.035 245 1HZ LYS 30 1HZ LYS 30 -9.939 -6.413 -21.872 246 2HZ LYS 30 2HZ LYS 30 -11.004 -7.688 -21.448 247 3HZ LYS 30 3HZ LYS 30 -10.606 -7.393 -23.095 248 H GLN 31 H GLN 31 -4.079 -9.861 -17.995 249 HA GLN 31 HA GLN 31 -4.100 -8.869 -15.409 250 1HB GLN 31 1HB GLN 31 -3.718 -11.196 -15.935 251 2HB GLN 31 2HB GLN 31 -2.210 -10.827 -16.810 252 1HG GLN 31 1HG GLN 31 -2.355 -10.033 -13.848 253 2HG GLN 31 2HG GLN 31 -2.329 -11.788 -14.245 254 1HE2 GLN 31 1HE2 GLN 31 -0.252 -9.134 -13.659 255 2HE2 GLN 31 2HE2 GLN 31 1.155 -9.674 -14.512 256 H GLU 32 H GLU 32 -1.178 -8.562 -17.710 257 HA GLU 32 HA GLU 32 0.278 -7.392 -15.563 258 1HB GLU 32 1HB GLU 32 1.228 -8.747 -17.500 259 2HB GLU 32 2HB GLU 32 1.098 -7.269 -18.502 260 1HG GLU 32 1HG GLU 32 3.400 -7.590 -17.589 261 2HG GLU 32 2HG GLU 32 2.661 -6.086 -16.919 262 H ILE 33 H ILE 33 -1.108 -5.612 -18.556 263 HA ILE 33 HA ILE 33 -0.167 -3.079 -17.510 264 HB ILE 33 HB ILE 33 -2.124 -3.969 -19.665 265 1HG1 ILE 33 1HG1 ILE 33 -0.468 -2.581 -21.092 266 2HG1 ILE 33 2HG1 ILE 33 0.619 -2.557 -19.671 267 1HG2 ILE 33 1HG2 ILE 33 -3.191 -1.940 -18.866 268 2HG2 ILE 33 2HG2 ILE 33 -1.615 -1.057 -18.809 269 3HG2 ILE 33 3HG2 ILE 33 -2.327 -1.567 -20.376 270 1HD1 ILE 33 1HD1 ILE 33 0.851 -5.043 -19.794 271 2HD1 ILE 33 2HD1 ILE 33 1.151 -4.340 -21.419 272 3HD1 ILE 33 3HD1 ILE 33 -0.429 -5.126 -21.063 273 H ARG 34 H ARG 34 -3.554 -4.714 -17.246 274 HA ARG 34 HA ARG 34 -4.593 -2.434 -15.878 275 1HB ARG 34 1HB ARG 34 -5.830 -4.389 -17.111 276 2HB ARG 34 2HB ARG 34 -5.782 -5.215 -15.537 277 1HG ARG 34 1HG ARG 34 -6.750 -2.418 -15.223 278 2HG ARG 34 2HG ARG 34 -7.578 -3.203 -16.594 279 1HD ARG 34 1HD ARG 34 -9.021 -3.635 -14.780 280 2HD ARG 34 2HD ARG 34 -8.140 -5.196 -14.952 281 HE ARG 34 HE ARG 34 -7.808 -3.075 -12.833 282 1HH1 ARG 34 1HH1 ARG 34 -6.725 -6.335 -14.007 283 2HH1 ARG 34 2HH1 ARG 34 -5.926 -6.672 -12.495 284 1HH2 ARG 34 1HH2 ARG 34 -6.775 -3.686 -10.844 285 2HH2 ARG 34 2HH2 ARG 34 -5.945 -5.228 -10.766 286 H GLU 35 H GLU 35 -3.099 -5.552 -14.481 287 HA GLU 35 HA GLU 35 -3.703 -4.710 -11.807 288 1HB GLU 35 1HB GLU 35 -3.244 -7.140 -12.631 289 2HB GLU 35 2HB GLU 35 -1.517 -6.707 -12.494 290 1HG GLU 35 1HG GLU 35 -2.114 -7.834 -10.450 291 2HG GLU 35 2HG GLU 35 -1.983 -6.094 -10.017 292 H ALA 36 H ALA 36 -0.679 -4.174 -13.880 293 HA ALA 36 HA ALA 36 0.840 -3.040 -11.773 294 1HB ALA 36 1HB ALA 36 0.944 -2.406 -14.776 295 2HB ALA 36 2HB ALA 36 1.886 -3.676 -13.923 296 3HB ALA 36 3HB ALA 36 2.200 -1.941 -13.560 297 H PHE 37 H PHE 37 -1.172 -1.198 -14.290 298 HA PHE 37 HA PHE 37 -0.757 1.332 -13.138 299 1HB PHE 37 1HB PHE 37 -1.881 0.626 -15.421 300 2HB PHE 37 2HB PHE 37 -3.413 0.547 -14.499 301 HD1 PHE 37 HD1 PHE 37 -4.197 2.716 -13.295 302 HD2 PHE 37 HD2 PHE 37 -0.936 2.663 -16.102 303 HE1 PHE 37 HE1 PHE 37 -4.382 5.164 -13.567 304 HE2 PHE 37 HE2 PHE 37 -1.189 5.086 -16.440 305 HZ PHE 37 HZ PHE 37 -2.863 6.352 -15.136 306 H ASP 38 H ASP 38 -3.456 -1.050 -12.356 307 HA ASP 38 HA ASP 38 -4.763 0.512 -10.365 308 1HB ASP 38 1HB ASP 38 -5.499 -1.586 -11.642 309 2HB ASP 38 2HB ASP 38 -4.367 -2.542 -10.641 310 H LEU 39 H LEU 39 -1.881 -1.841 -9.998 311 HA LEU 39 HA LEU 39 -1.680 -1.805 -7.233 312 1HB LEU 39 1HB LEU 39 -0.288 -3.218 -8.769 313 2HB LEU 39 2HB LEU 39 0.607 -1.755 -9.277 314 HG LEU 39 HG LEU 39 1.459 -1.468 -6.930 315 1HD1 LEU 39 1HD1 LEU 39 0.096 -4.188 -6.394 316 2HD1 LEU 39 2HD1 LEU 39 1.277 -3.367 -5.304 317 3HD1 LEU 39 3HD1 LEU 39 -0.322 -2.609 -5.624 318 1HD2 LEU 39 1HD2 LEU 39 2.802 -2.622 -8.662 319 2HD2 LEU 39 2HD2 LEU 39 3.101 -3.325 -7.030 320 3HD2 LEU 39 3HD2 LEU 39 2.060 -4.204 -8.212 321 H PHE 40 H PHE 40 -0.327 0.685 -9.529 322 HA PHE 40 HA PHE 40 0.623 2.334 -7.315 323 1HB PHE 40 1HB PHE 40 0.549 2.920 -10.320 324 2HB PHE 40 2HB PHE 40 1.338 3.960 -9.058 325 HD1 PHE 40 HD1 PHE 40 1.752 1.054 -11.185 326 HD2 PHE 40 HD2 PHE 40 3.067 2.818 -7.496 327 HE1 PHE 40 HE1 PHE 40 3.626 -0.551 -11.086 328 HE2 PHE 40 HE2 PHE 40 4.990 1.261 -7.440 329 HZ PHE 40 HZ PHE 40 5.257 -0.443 -9.227 330 H ASP 41 H ASP 41 -2.154 2.681 -9.745 331 HA ASP 41 HA ASP 41 -3.224 4.876 -8.124 332 1HB ASP 41 1HB ASP 41 -3.302 5.017 -10.627 333 2HB ASP 41 2HB ASP 41 -4.392 3.590 -10.655 334 H ALA 42 H ALA 42 -3.573 3.533 -6.142 335 HA ALA 42 HA ALA 42 -5.696 1.506 -6.256 336 1HB ALA 42 1HB ALA 42 -5.215 1.129 -3.854 337 2HB ALA 42 2HB ALA 42 -4.102 2.553 -3.850 338 3HB ALA 42 3HB ALA 42 -3.705 1.095 -4.832 339 H ASP 43 H ASP 43 -5.367 4.850 -4.828 340 HA ASP 43 HA ASP 43 -7.883 4.914 -3.507 341 1HB ASP 43 1HB ASP 43 -5.722 6.401 -3.309 342 2HB ASP 43 2HB ASP 43 -6.373 7.330 -4.692 343 H GLY 44 H GLY 44 -7.106 5.484 -7.015 344 1HA GLY 44 1HA GLY 44 -8.663 5.489 -8.686 345 2HA GLY 44 2HA GLY 44 -9.940 6.077 -7.561 346 H THR 45 H THR 45 -6.992 7.001 -9.400 347 HA THR 45 HA THR 45 -7.629 9.854 -8.976 348 HB THR 45 HB THR 45 -5.292 10.402 -9.190 349 HG1 THR 45 HG1 THR 45 -4.369 8.878 -10.425 350 1HG2 THR 45 1HG2 THR 45 -4.544 9.392 -7.057 351 2HG2 THR 45 2HG2 THR 45 -6.309 9.720 -6.957 352 3HG2 THR 45 3HG2 THR 45 -5.720 8.041 -7.221 353 H GLY 46 H GLY 46 -6.006 7.824 -11.584 354 1HA GLY 46 1HA GLY 46 -7.036 8.338 -13.859 355 2HA GLY 46 2HA GLY 46 -6.620 10.051 -13.467 356 H THR 47 H THR 47 -4.168 10.360 -12.762 357 HA THR 47 HA THR 47 -2.517 8.873 -14.709 358 HB THR 47 HB THR 47 -0.902 10.836 -14.357 359 HG1 THR 47 HG1 THR 47 -1.737 12.612 -13.433 360 1HG2 THR 47 1HG2 THR 47 -3.716 11.352 -15.561 361 2HG2 THR 47 2HG2 THR 47 -2.210 12.268 -15.948 362 3HG2 THR 47 3HG2 THR 47 -2.342 10.530 -16.385 363 H ILE 48 H ILE 48 -0.696 7.860 -14.187 364 HA ILE 48 HA ILE 48 0.206 7.638 -11.355 365 HB ILE 48 HB ILE 48 -0.316 5.500 -12.527 366 1HG1 ILE 48 1HG1 ILE 48 2.706 5.951 -12.199 367 2HG1 ILE 48 2HG1 ILE 48 1.535 5.377 -10.959 368 1HG2 ILE 48 1HG2 ILE 48 -0.036 6.295 -14.872 369 2HG2 ILE 48 2HG2 ILE 48 0.850 4.799 -14.602 370 3HG2 ILE 48 3HG2 ILE 48 1.752 6.351 -14.667 371 1HD1 ILE 48 1HD1 ILE 48 2.812 3.461 -11.818 372 2HD1 ILE 48 2HD1 ILE 48 1.133 3.315 -12.461 373 3HD1 ILE 48 3HD1 ILE 48 2.476 3.897 -13.518 374 H ASP 49 H ASP 49 2.556 8.222 -10.975 375 HA ASP 49 HA ASP 49 3.532 10.106 -13.043 376 1HB ASP 49 1HB ASP 49 4.542 11.427 -11.539 377 2HB ASP 49 2HB ASP 49 3.225 10.789 -10.507 378 H VAL 50 H VAL 50 6.110 10.302 -13.173 379 HA VAL 50 HA VAL 50 7.107 7.874 -14.159 380 HB VAL 50 HB VAL 50 9.431 9.114 -14.030 381 1HG1 VAL 50 1HG1 VAL 50 8.686 10.238 -16.182 382 2HG1 VAL 50 2HG1 VAL 50 7.002 9.724 -15.808 383 3HG1 VAL 50 3HG1 VAL 50 8.281 8.490 -16.059 384 1HG2 VAL 50 1HG2 VAL 50 7.450 11.468 -13.697 385 2HG2 VAL 50 2HG2 VAL 50 8.588 10.891 -12.422 386 3HG2 VAL 50 3HG2 VAL 50 9.218 11.548 -13.978 387 H LYS 51 H LYS 51 7.595 9.068 -10.791 388 HA LYS 51 HA LYS 51 9.597 7.192 -10.049 389 1HB LYS 51 1HB LYS 51 7.203 8.178 -8.404 390 2HB LYS 51 2HB LYS 51 8.656 7.359 -7.732 391 1HG LYS 51 1HG LYS 51 10.089 9.218 -8.466 392 2HG LYS 51 2HG LYS 51 8.699 10.087 -9.196 393 1HD LYS 51 1HD LYS 51 8.768 9.340 -6.205 394 2HD LYS 51 2HD LYS 51 9.572 10.799 -6.858 395 1HE LYS 51 1HE LYS 51 7.428 11.478 -5.971 396 2HE LYS 51 2HE LYS 51 7.395 11.662 -7.767 397 1HZ LYS 51 1HZ LYS 51 6.262 9.299 -6.356 398 2HZ LYS 51 2HZ LYS 51 5.384 10.704 -6.706 399 3HZ LYS 51 3HZ LYS 51 6.014 9.785 -7.969 400 H GLU 52 H GLU 52 5.987 6.856 -9.572 401 HA GLU 52 HA GLU 52 5.835 4.110 -9.065 402 1HB GLU 52 1HB GLU 52 3.948 6.043 -10.486 403 2HB GLU 52 2HB GLU 52 3.441 4.453 -9.807 404 1HG GLU 52 1HG GLU 52 3.951 5.260 -7.506 405 2HG GLU 52 2HG GLU 52 4.572 6.823 -8.156 406 H LEU 53 H LEU 53 5.458 5.746 -12.384 407 HA LEU 53 HA LEU 53 5.008 3.367 -13.789 408 1HB LEU 53 1HB LEU 53 4.582 5.746 -14.585 409 2HB LEU 53 2HB LEU 53 6.346 5.913 -14.848 410 HG LEU 53 HG LEU 53 6.211 3.971 -16.501 411 1HD1 LEU 53 1HD1 LEU 53 3.164 4.310 -16.150 412 2HD1 LEU 53 2HD1 LEU 53 3.983 3.323 -17.415 413 3HD1 LEU 53 3HD1 LEU 53 4.132 2.860 -15.692 414 1HD2 LEU 53 1HD2 LEU 53 5.263 5.331 -18.337 415 2HD2 LEU 53 2HD2 LEU 53 6.281 6.333 -17.239 416 3HD2 LEU 53 3HD2 LEU 53 4.484 6.433 -17.139 417 H LYS 54 H LYS 54 8.262 4.908 -13.093 418 HA LYS 54 HA LYS 54 9.807 3.081 -14.646 419 1HB LYS 54 1HB LYS 54 10.425 4.742 -12.147 420 2HB LYS 54 2HB LYS 54 11.677 3.719 -12.936 421 1HG LYS 54 1HG LYS 54 11.649 4.974 -14.950 422 2HG LYS 54 2HG LYS 54 10.087 5.763 -14.554 423 1HD LYS 54 1HD LYS 54 11.197 7.061 -12.723 424 2HD LYS 54 2HD LYS 54 12.794 6.426 -13.250 425 1HE LYS 54 1HE LYS 54 12.604 7.542 -15.437 426 2HE LYS 54 2HE LYS 54 10.847 7.859 -15.181 427 1HZ LYS 54 1HZ LYS 54 13.133 9.227 -13.885 428 2HZ LYS 54 2HZ LYS 54 11.523 9.385 -13.365 429 3HZ LYS 54 3HZ LYS 54 11.948 9.857 -14.939 430 H VAL 55 H VAL 55 8.710 2.862 -11.137 431 HA VAL 55 HA VAL 55 9.780 0.241 -10.716 432 HB VAL 55 HB VAL 55 7.342 1.502 -9.392 433 1HG1 VAL 55 1HG1 VAL 55 7.898 -0.108 -7.523 434 2HG1 VAL 55 2HG1 VAL 55 9.171 -0.861 -8.553 435 3HG1 VAL 55 3HG1 VAL 55 7.436 -0.985 -9.017 436 1HG2 VAL 55 1HG2 VAL 55 9.413 2.918 -9.154 437 2HG2 VAL 55 2HG2 VAL 55 10.345 1.475 -8.622 438 3HG2 VAL 55 3HG2 VAL 55 9.006 2.119 -7.602 439 H ALA 56 H ALA 56 6.629 1.306 -12.170 440 HA ALA 56 HA ALA 56 5.473 -1.232 -12.488 441 1HB ALA 56 1HB ALA 56 4.001 -0.269 -14.189 442 2HB ALA 56 2HB ALA 56 4.240 0.949 -12.884 443 3HB ALA 56 3HB ALA 56 5.122 1.113 -14.439 444 H MET 57 H MET 57 7.686 0.497 -14.791 445 HA MET 57 HA MET 57 7.696 -1.563 -16.774 446 1HB MET 57 1HB MET 57 9.268 0.920 -16.133 447 2HB MET 57 2HB MET 57 10.044 -0.269 -17.201 448 1HG MET 57 1HG MET 57 8.812 1.462 -18.482 449 2HG MET 57 2HG MET 57 8.210 -0.181 -18.812 450 1HE MET 57 1HE MET 57 6.945 3.077 -19.092 451 2HE MET 57 2HE MET 57 6.513 1.621 -20.049 452 3HE MET 57 3HE MET 57 5.234 2.535 -19.180 453 H ARG 58 H ARG 58 9.895 -1.139 -13.862 454 HA ARG 58 HA ARG 58 11.640 -3.302 -14.438 455 1HB ARG 58 1HB ARG 58 10.565 -2.357 -11.721 456 2HB ARG 58 2HB ARG 58 11.961 -3.472 -11.933 457 1HG ARG 58 1HG ARG 58 13.287 -1.720 -13.015 458 2HG ARG 58 2HG ARG 58 11.867 -0.625 -13.081 459 1HD ARG 58 1HD ARG 58 11.769 -0.684 -10.519 460 2HD ARG 58 2HD ARG 58 13.368 -1.552 -10.538 461 HE ARG 58 HE ARG 58 13.706 0.705 -12.189 462 1HH1 ARG 58 1HH1 ARG 58 12.783 0.140 -8.769 463 2HH1 ARG 58 2HH1 ARG 58 13.345 1.659 -8.204 464 1HH2 ARG 58 1HH2 ARG 58 14.512 2.784 -11.394 465 2HH2 ARG 58 2HH2 ARG 58 14.361 3.196 -9.736 466 H ALA 59 H ALA 59 8.455 -3.435 -12.504 467 HA ALA 59 HA ALA 59 8.419 -6.267 -12.296 468 1HB ALA 59 1HB ALA 59 6.983 -4.781 -10.899 469 2HB ALA 59 2HB ALA 59 5.994 -6.004 -11.775 470 3HB ALA 59 3HB ALA 59 6.058 -4.300 -12.368 471 H LEU 60 H LEU 60 6.962 -4.186 -14.953 472 HA LEU 60 HA LEU 60 5.544 -6.369 -16.143 473 1HB LEU 60 1HB LEU 60 4.795 -4.049 -16.191 474 2HB LEU 60 2HB LEU 60 6.247 -3.525 -17.089 475 HG LEU 60 HG LEU 60 4.424 -5.602 -18.363 476 1HD1 LEU 60 1HD1 LEU 60 2.874 -3.874 -19.211 477 2HD1 LEU 60 2HD1 LEU 60 2.841 -3.900 -17.410 478 3HD1 LEU 60 3HD1 LEU 60 3.741 -2.598 -18.279 479 1HD2 LEU 60 1HD2 LEU 60 4.964 -4.374 -20.464 480 2HD2 LEU 60 2HD2 LEU 60 5.928 -3.168 -19.530 481 3HD2 LEU 60 3HD2 LEU 60 6.468 -4.878 -19.638 482 H GLY 61 H GLY 61 8.769 -4.882 -17.010 483 1HA GLY 61 1HA GLY 61 8.926 -5.816 -19.620 484 2HA GLY 61 2HA GLY 61 10.299 -5.474 -18.516 485 H PHE 62 H PHE 62 10.509 -7.412 -16.803 486 HA PHE 62 HA PHE 62 11.269 -9.446 -16.374 487 1HB PHE 62 1HB PHE 62 9.332 -10.540 -18.517 488 2HB PHE 62 2HB PHE 62 10.215 -11.523 -17.298 489 HD1 PHE 62 HD1 PHE 62 7.217 -9.702 -18.014 490 HD2 PHE 62 HD2 PHE 62 9.767 -10.983 -14.796 491 HE1 PHE 62 HE1 PHE 62 5.316 -9.537 -16.443 492 HE2 PHE 62 HE2 PHE 62 7.859 -10.818 -13.227 493 HZ PHE 62 HZ PHE 62 5.626 -10.107 -14.054 494 H GLU 63 H GLU 63 10.700 -9.854 -19.874 495 HA GLU 63 HA GLU 63 13.507 -10.334 -20.498 496 1HB GLU 63 1HB GLU 63 11.348 -12.501 -20.895 497 2HB GLU 63 2HB GLU 63 12.963 -12.493 -21.693 498 1HG GLU 63 1HG GLU 63 14.053 -12.551 -19.395 499 2HG GLU 63 2HG GLU 63 12.412 -12.717 -18.663 500 HA PRO 64 HA PRO 64 10.582 -8.893 -23.861 501 1HB PRO 64 1HB PRO 64 10.800 -6.173 -24.054 502 2HB PRO 64 2HB PRO 64 10.271 -6.945 -22.516 503 1HG PRO 64 1HG PRO 64 13.127 -6.056 -23.238 504 2HG PRO 64 2HG PRO 64 12.134 -5.546 -21.806 505 1HD PRO 64 1HD PRO 64 13.936 -7.704 -21.729 506 2HD PRO 64 2HD PRO 64 12.395 -7.672 -20.755 507 H LYS 65 H LYS 65 10.616 -7.147 -25.894 508 HA LYS 65 HA LYS 65 12.132 -8.489 -27.819 509 1HB LYS 65 1HB LYS 65 9.916 -7.422 -28.250 510 2HB LYS 65 2HB LYS 65 10.689 -5.823 -28.179 511 1HG LYS 65 1HG LYS 65 12.207 -6.662 -30.172 512 2HG LYS 65 2HG LYS 65 11.107 -8.074 -30.219 513 1HD LYS 65 1HD LYS 65 9.904 -6.847 -31.692 514 2HD LYS 65 2HD LYS 65 9.254 -6.005 -30.250 515 1HE LYS 65 1HE LYS 65 11.589 -5.096 -32.086 516 2HE LYS 65 2HE LYS 65 9.943 -4.356 -31.967 517 1HZ LYS 65 1HZ LYS 65 11.532 -3.058 -30.780 518 2HZ LYS 65 2HZ LYS 65 10.474 -3.758 -29.653 519 3HZ LYS 65 3HZ LYS 65 12.036 -4.388 -29.850 520 H LYS 66 H LYS 66 12.508 -4.794 -27.673 521 HA LYS 66 HA LYS 66 15.271 -5.023 -26.975 522 1HB LYS 66 1HB LYS 66 14.580 -4.053 -29.819 523 2HB LYS 66 2HB LYS 66 16.092 -3.555 -28.983 524 1HG LYS 66 1HG LYS 66 15.334 -6.443 -29.676 525 2HG LYS 66 2HG LYS 66 16.383 -5.391 -30.658 526 1HD LYS 66 1HD LYS 66 18.137 -5.346 -29.096 527 2HD LYS 66 2HD LYS 66 17.126 -5.880 -27.720 528 1HE LYS 66 1HE LYS 66 17.700 -7.711 -30.139 529 2HE LYS 66 2HE LYS 66 18.762 -7.650 -28.674 530 1HZ LYS 66 1HZ LYS 66 17.135 -8.517 -27.357 531 2HZ LYS 66 2HZ LYS 66 15.855 -8.073 -28.362 532 3HZ LYS 66 3HZ LYS 66 16.880 -9.366 -28.803 533 H GLU 67 H GLU 67 13.754 -2.389 -28.981 534 HA GLU 67 HA GLU 67 14.359 -0.529 -26.872 535 1HB GLU 67 1HB GLU 67 14.057 1.236 -28.426 536 2HB GLU 67 2HB GLU 67 15.039 -0.069 -29.154 537 1HG GLU 67 1HG GLU 67 12.189 0.789 -29.892 538 2HG GLU 67 2HG GLU 67 13.681 0.838 -30.877 539 H GLU 68 H GLU 68 12.620 -1.627 -25.401 540 HA GLU 68 HA GLU 68 9.882 -0.559 -25.919 541 1HB GLU 68 1HB GLU 68 10.912 -3.172 -24.761 542 2HB GLU 68 2HB GLU 68 9.372 -2.526 -24.110 543 1HG GLU 68 1HG GLU 68 8.857 -4.133 -25.797 544 2HG GLU 68 2HG GLU 68 8.308 -2.500 -26.308 545 H ILE 69 H ILE 69 11.809 -1.610 -22.984 546 HA ILE 69 HA ILE 69 9.997 -0.171 -21.266 547 HB ILE 69 HB ILE 69 12.638 -1.687 -20.917 548 1HG1 ILE 69 1HG1 ILE 69 10.715 -3.082 -21.609 549 2HG1 ILE 69 2HG1 ILE 69 11.288 -3.470 -19.961 550 1HG2 ILE 69 1HG2 ILE 69 12.771 -0.253 -19.054 551 2HG2 ILE 69 2HG2 ILE 69 11.908 -1.682 -18.376 552 3HG2 ILE 69 3HG2 ILE 69 10.991 -0.193 -18.858 553 1HD1 ILE 69 1HD1 ILE 69 8.802 -3.515 -20.102 554 2HD1 ILE 69 2HD1 ILE 69 9.351 -2.240 -18.962 555 3HD1 ILE 69 3HD1 ILE 69 8.761 -1.799 -20.611 556 H LYS 70 H LYS 70 13.504 0.360 -22.137 557 HA LYS 70 HA LYS 70 13.817 2.853 -20.824 558 1HB LYS 70 1HB LYS 70 15.695 1.401 -21.659 559 2HB LYS 70 2HB LYS 70 15.242 1.818 -23.345 560 1HG LYS 70 1HG LYS 70 15.766 4.237 -22.866 561 2HG LYS 70 2HG LYS 70 16.170 3.805 -21.166 562 1HD LYS 70 1HD LYS 70 18.021 2.333 -21.987 563 2HD LYS 70 2HD LYS 70 17.601 2.752 -23.687 564 1HE LYS 70 1HE LYS 70 18.139 5.177 -23.226 565 2HE LYS 70 2HE LYS 70 18.568 4.752 -21.519 566 1HZ LYS 70 1HZ LYS 70 20.492 4.922 -22.918 567 2HZ LYS 70 2HZ LYS 70 20.311 3.326 -22.377 568 3HZ LYS 70 3HZ LYS 70 19.908 3.733 -23.974 569 H LYS 71 H LYS 71 12.680 2.101 -24.206 570 HA LYS 71 HA LYS 71 12.492 4.733 -25.161 571 1HB LYS 71 1HB LYS 71 12.388 2.516 -26.419 572 2HB LYS 71 2HB LYS 71 10.663 2.405 -25.969 573 1HG LYS 71 1HG LYS 71 11.935 4.737 -27.578 574 2HG LYS 71 2HG LYS 71 11.294 3.222 -28.302 575 1HD LYS 71 1HD LYS 71 9.050 3.748 -27.168 576 2HD LYS 71 2HD LYS 71 9.670 5.411 -26.887 577 1HE LYS 71 1HE LYS 71 9.343 3.977 -29.623 578 2HE LYS 71 2HE LYS 71 8.257 5.257 -28.946 579 1HZ LYS 71 1HZ LYS 71 10.082 6.807 -29.009 580 2HZ LYS 71 2HZ LYS 71 9.791 6.140 -30.540 581 3HZ LYS 71 3HZ LYS 71 11.133 5.619 -29.632 582 H MET 72 H MET 72 9.747 2.783 -23.508 583 HA MET 72 HA MET 72 7.921 4.953 -23.553 584 1HB MET 72 1HB MET 72 8.146 2.480 -21.795 585 2HB MET 72 2HB MET 72 7.057 3.813 -21.301 586 1HG MET 72 1HG MET 72 5.602 2.480 -22.327 587 2HG MET 72 2HG MET 72 5.923 3.706 -23.576 588 1HE MET 72 1HE MET 72 8.014 3.065 -25.486 589 2HE MET 72 2HE MET 72 6.274 3.186 -25.894 590 3HE MET 72 3HE MET 72 7.262 1.837 -26.551 591 H ILE 73 H ILE 73 10.197 4.068 -20.711 592 HA ILE 73 HA ILE 73 9.290 6.245 -19.116 593 HB ILE 73 HB ILE 73 11.912 4.657 -19.232 594 1HG1 ILE 73 1HG1 ILE 73 10.006 3.202 -18.829 595 2HG1 ILE 73 2HG1 ILE 73 10.968 3.367 -17.334 596 1HG2 ILE 73 1HG2 ILE 73 10.920 6.515 -16.993 597 2HG2 ILE 73 2HG2 ILE 73 12.419 6.719 -17.976 598 3HG2 ILE 73 3HG2 ILE 73 12.293 5.337 -16.859 599 1HD1 ILE 73 1HD1 ILE 73 8.251 4.720 -17.938 600 2HD1 ILE 73 2HD1 ILE 73 8.585 3.405 -16.765 601 3HD1 ILE 73 3HD1 ILE 73 9.238 5.052 -16.469 602 H SER 74 H SER 74 12.166 6.188 -21.415 603 HA SER 74 HA SER 74 12.949 8.857 -20.771 604 1HB SER 74 1HB SER 74 14.446 7.115 -21.864 605 2HB SER 74 2HB SER 74 13.486 7.307 -23.371 606 HG SER 74 HG SER 74 15.161 9.157 -22.034 607 H GLU 75 H GLU 75 10.609 7.635 -23.363 608 HA GLU 75 HA GLU 75 10.614 10.163 -24.697 609 1HB GLU 75 1HB GLU 75 10.285 7.935 -25.734 610 2HB GLU 75 2HB GLU 75 8.630 7.869 -25.055 611 1HG GLU 75 1HG GLU 75 7.845 9.618 -26.504 612 2HG GLU 75 2HG GLU 75 9.501 10.285 -26.764 613 H ILE 76 H ILE 76 8.159 8.715 -22.338 614 HA ILE 76 HA ILE 76 6.517 11.110 -22.608 615 HB ILE 76 HB ILE 76 6.281 8.864 -20.571 616 1HG1 ILE 76 1HG1 ILE 76 5.273 9.219 -23.458 617 2HG1 ILE 76 2HG1 ILE 76 6.219 7.859 -22.760 618 1HG2 ILE 76 1HG2 ILE 76 3.880 9.640 -20.422 619 2HG2 ILE 76 2HG2 ILE 76 4.259 11.003 -21.540 620 3HG2 ILE 76 3HG2 ILE 76 4.999 10.910 -19.898 621 1HD1 ILE 76 1HD1 ILE 76 3.243 8.509 -22.315 622 2HD1 ILE 76 2HD1 ILE 76 4.165 7.366 -21.271 623 3HD1 ILE 76 3HD1 ILE 76 3.978 7.036 -23.040 624 H ASP 77 H ASP 77 9.301 10.301 -20.517 625 HA ASP 77 HA ASP 77 8.727 12.500 -18.668 626 1HB ASP 77 1HB ASP 77 9.936 10.211 -18.175 627 2HB ASP 77 2HB ASP 77 11.393 10.984 -18.860 628 H LYS 78 H LYS 78 8.589 14.114 -20.644 629 HA LYS 78 HA LYS 78 11.206 15.363 -21.156 630 1HB LYS 78 1HB LYS 78 9.384 14.283 -23.383 631 2HB LYS 78 2HB LYS 78 10.626 15.542 -23.679 632 1HG LYS 78 1HG LYS 78 12.381 13.991 -22.744 633 2HG LYS 78 2HG LYS 78 11.161 12.671 -22.832 634 1HD LYS 78 1HD LYS 78 10.975 12.941 -25.280 635 2HD LYS 78 2HD LYS 78 11.861 14.500 -25.210 636 1HE LYS 78 1HE LYS 78 13.413 12.885 -26.119 637 2HE LYS 78 2HE LYS 78 13.954 13.287 -24.440 638 1HZ LYS 78 1HZ LYS 78 14.107 10.979 -24.710 639 2HZ LYS 78 2HZ LYS 78 12.561 10.847 -25.393 640 3HZ LYS 78 3HZ LYS 78 12.730 11.219 -23.747 641 H GLU 79 H GLU 79 8.024 16.151 -20.271 642 HA GLU 79 HA GLU 79 7.950 18.668 -21.869 643 1HB GLU 79 1HB GLU 79 5.809 17.279 -20.150 644 2HB GLU 79 2HB GLU 79 5.579 18.844 -21.016 645 1HG GLU 79 1HG GLU 79 5.823 17.721 -23.202 646 2HG GLU 79 2HG GLU 79 6.242 16.156 -22.407 647 H GLY 80 H GLY 80 6.740 17.785 -18.587 648 1HA GLY 80 1HA GLY 80 8.788 19.315 -17.228 649 2HA GLY 80 2HA GLY 80 7.071 19.837 -17.000 650 H THR 81 H THR 81 8.985 16.766 -17.089 651 HA THR 81 HA THR 81 9.055 14.988 -15.871 652 HB THR 81 HB THR 81 8.162 14.432 -13.756 653 HG1 THR 81 HG1 THR 81 6.738 16.846 -14.066 654 1HG2 THR 81 1HG2 THR 81 9.341 16.179 -12.438 655 2HG2 THR 81 2HG2 THR 81 9.286 17.322 -13.831 656 3HG2 THR 81 3HG2 THR 81 10.258 15.807 -13.943 657 H GLY 82 H GLY 82 8.191 12.976 -16.180 658 1HA GLY 82 1HA GLY 82 5.940 12.849 -17.936 659 2HA GLY 82 2HA GLY 82 6.924 11.505 -17.285 660 H LYS 83 H LYS 83 3.935 12.744 -17.496 661 HA LYS 83 HA LYS 83 2.937 11.085 -15.294 662 1HB LYS 83 1HB LYS 83 0.903 12.303 -15.018 663 2HB LYS 83 2HB LYS 83 2.316 13.304 -14.582 664 1HG LYS 83 1HG LYS 83 0.730 13.569 -17.228 665 2HG LYS 83 2HG LYS 83 0.441 14.496 -15.726 666 1HD LYS 83 1HD LYS 83 1.817 16.055 -16.517 667 2HD LYS 83 2HD LYS 83 3.158 14.944 -16.082 668 1HE LYS 83 1HE LYS 83 2.986 13.984 -18.497 669 2HE LYS 83 2HE LYS 83 1.776 15.278 -18.846 670 1HZ LYS 83 1HZ LYS 83 3.903 15.929 -19.550 671 2HZ LYS 83 2HZ LYS 83 3.476 16.901 -18.217 672 3HZ LYS 83 3HZ LYS 83 4.610 15.643 -17.999 673 H MET 84 H MET 84 1.717 9.393 -15.917 674 HA MET 84 HA MET 84 0.863 9.256 -18.765 675 1HB MET 84 1HB MET 84 2.850 7.798 -17.942 676 2HB MET 84 2HB MET 84 1.646 6.896 -16.971 677 1HG MET 84 1HG MET 84 0.400 6.466 -19.192 678 2HG MET 84 2HG MET 84 1.793 7.222 -20.034 679 1HE MET 84 1HE MET 84 1.967 5.197 -21.512 680 2HE MET 84 2HE MET 84 2.967 3.767 -21.085 681 3HE MET 84 3HE MET 84 3.708 5.384 -21.087 682 H ASN 85 H ASN 85 -1.342 8.733 -19.144 683 HA ASN 85 HA ASN 85 -3.023 7.895 -16.820 684 1HB ASN 85 1HB ASN 85 -3.810 9.889 -18.143 685 2HB ASN 85 2HB ASN 85 -3.654 8.946 -19.655 686 1HD2 ASN 85 1HD2 ASN 85 -5.410 8.666 -16.430 687 2HD2 ASN 85 2HD2 ASN 85 -6.924 8.230 -17.146 688 H PHE 86 H PHE 86 -4.801 6.162 -17.591 689 HA PHE 86 HA PHE 86 -3.370 3.829 -18.345 690 1HB PHE 86 1HB PHE 86 -5.376 3.930 -16.773 691 2HB PHE 86 2HB PHE 86 -6.433 4.220 -18.200 692 HD1 PHE 86 HD1 PHE 86 -3.753 1.844 -17.000 693 HD2 PHE 86 HD2 PHE 86 -7.443 2.293 -19.146 694 HE1 PHE 86 HE1 PHE 86 -3.917 -0.602 -17.209 695 HE2 PHE 86 HE2 PHE 86 -7.589 -0.164 -19.401 696 HZ PHE 86 HZ PHE 86 -5.829 -1.622 -18.428 697 H GLY 87 H GLY 87 -5.534 5.969 -20.389 698 1HA GLY 87 1HA GLY 87 -5.698 4.276 -22.645 699 2HA GLY 87 2HA GLY 87 -5.710 6.077 -22.617 700 H ASP 88 H ASP 88 -3.030 6.658 -21.777 701 HA ASP 88 HA ASP 88 -1.362 6.131 -23.997 702 1HB ASP 88 1HB ASP 88 -0.421 6.699 -21.120 703 2HB ASP 88 2HB ASP 88 0.496 7.024 -22.636 704 H PHE 89 H PHE 89 -1.237 4.647 -20.614 705 HA PHE 89 HA PHE 89 0.841 2.876 -21.138 706 1HB PHE 89 1HB PHE 89 -0.138 3.558 -18.847 707 2HB PHE 89 2HB PHE 89 -1.453 2.374 -19.136 708 HD1 PHE 89 HD1 PHE 89 2.319 2.018 -19.822 709 HD2 PHE 89 HD2 PHE 89 -1.081 0.804 -17.481 710 HE1 PHE 89 HE1 PHE 89 3.702 0.347 -18.678 711 HE2 PHE 89 HE2 PHE 89 0.325 -0.850 -16.312 712 HZ PHE 89 HZ PHE 89 2.724 -1.075 -16.892 713 H LEU 90 H LEU 90 -2.714 2.054 -21.289 714 HA LEU 90 HA LEU 90 -2.441 -0.606 -22.134 715 1HB LEU 90 1HB LEU 90 -4.557 0.522 -21.322 716 2HB LEU 90 2HB LEU 90 -4.631 1.417 -22.868 717 HG LEU 90 HG LEU 90 -4.844 -0.802 -24.089 718 1HD1 LEU 90 1HD1 LEU 90 -5.043 -1.981 -21.238 719 2HD1 LEU 90 2HD1 LEU 90 -3.780 -2.354 -22.473 720 3HD1 LEU 90 3HD1 LEU 90 -5.488 -2.838 -22.760 721 1HD2 LEU 90 1HD2 LEU 90 -7.214 -1.192 -23.455 722 2HD2 LEU 90 2HD2 LEU 90 -6.976 -0.265 -21.925 723 3HD2 LEU 90 3HD2 LEU 90 -6.835 0.570 -23.519 724 H THR 91 H THR 91 -2.981 2.314 -24.383 725 HA THR 91 HA THR 91 -2.730 0.690 -26.682 726 HB THR 91 HB THR 91 -2.624 2.697 -28.044 727 HG1 THR 91 HG1 THR 91 -2.680 4.686 -27.055 728 1HG2 THR 91 1HG2 THR 91 -4.691 2.852 -25.729 729 2HG2 THR 91 2HG2 THR 91 -4.866 3.557 -27.376 730 3HG2 THR 91 3HG2 THR 91 -4.805 1.771 -27.166 731 H VAL 92 H VAL 92 -0.204 2.932 -25.216 732 HA VAL 92 HA VAL 92 1.663 2.282 -27.223 733 HB VAL 92 HB VAL 92 1.635 4.361 -25.752 734 1HG1 VAL 92 1HG1 VAL 92 1.963 3.134 -23.519 735 2HG1 VAL 92 2HG1 VAL 92 3.614 2.684 -24.070 736 3HG1 VAL 92 3HG1 VAL 92 3.181 4.416 -23.863 737 1HG2 VAL 92 1HG2 VAL 92 4.071 4.676 -26.294 738 2HG2 VAL 92 2HG2 VAL 92 3.152 3.926 -27.650 739 3HG2 VAL 92 3HG2 VAL 92 4.217 2.905 -26.614 740 H MET 93 H MET 93 1.528 0.835 -23.809 741 HA MET 93 HA MET 93 3.787 -0.812 -24.351 742 1HB MET 93 1HB MET 93 2.963 -0.177 -22.035 743 2HB MET 93 2HB MET 93 1.622 -1.340 -22.250 744 1HG MET 93 1HG MET 93 3.452 -2.322 -20.927 745 2HG MET 93 2HG MET 93 3.214 -3.215 -22.452 746 1HE MET 93 1HE MET 93 5.128 0.210 -21.553 747 2HE MET 93 2HE MET 93 6.783 -0.434 -21.315 748 3HE MET 93 3HE MET 93 5.450 -0.975 -20.242 749 H THR 94 H THR 94 0.174 -1.700 -24.558 750 HA THR 94 HA THR 94 0.796 -4.385 -25.270 751 HB THR 94 HB THR 94 -1.461 -4.782 -25.927 752 HG1 THR 94 HG1 THR 94 -1.948 -2.026 -25.436 753 1HG2 THR 94 1HG2 THR 94 -0.810 -4.797 -23.507 754 2HG2 THR 94 2HG2 THR 94 -2.523 -4.299 -23.733 755 3HG2 THR 94 3HG2 THR 94 -1.271 -3.060 -23.355 756 H GLN 95 H GLN 95 -0.188 -1.614 -27.595 757 HA GLN 95 HA GLN 95 0.226 -3.272 -29.854 758 1HB GLN 95 1HB GLN 95 -1.067 -1.076 -29.789 759 2HB GLN 95 2HB GLN 95 0.503 -0.223 -29.706 760 1HG GLN 95 1HG GLN 95 -0.270 -0.070 -31.965 761 2HG GLN 95 2HG GLN 95 1.087 -1.239 -32.015 762 1HE2 GLN 95 1HE2 GLN 95 0.432 -3.669 -32.042 763 2HE2 GLN 95 2HE2 GLN 95 -1.043 -4.071 -32.832 764 H LYS 96 H LYS 96 2.769 -1.295 -28.070 765 HA LYS 96 HA LYS 96 4.762 -1.690 -30.083 766 1HB LYS 96 1HB LYS 96 4.823 0.022 -28.207 767 2HB LYS 96 2HB LYS 96 5.150 -1.313 -27.060 768 1HG LYS 96 1HG LYS 96 7.191 -0.112 -27.601 769 2HG LYS 96 2HG LYS 96 7.312 -1.772 -28.271 770 1HD LYS 96 1HD LYS 96 6.984 -0.987 -30.540 771 2HD LYS 96 2HD LYS 96 6.356 0.600 -29.980 772 1HE LYS 96 1HE LYS 96 8.691 0.791 -30.901 773 2HE LYS 96 2HE LYS 96 8.575 1.294 -29.166 774 1HZ LYS 96 1HZ LYS 96 10.180 -0.738 -30.327 775 2HZ LYS 96 2HZ LYS 96 10.160 -0.125 -28.755 776 3HZ LYS 96 3HZ LYS 96 9.166 -1.433 -29.157 777 H MET 97 H MET 97 3.888 -3.797 -27.163 778 HA MET 97 HA MET 97 5.951 -5.729 -27.819 779 1HB MET 97 1HB MET 97 3.536 -5.900 -25.951 780 2HB MET 97 2HB MET 97 4.750 -7.213 -26.165 781 1HG MET 97 1HG MET 97 6.572 -5.653 -25.490 782 2HG MET 97 2HG MET 97 5.373 -4.356 -25.189 783 1HE MET 97 1HE MET 97 7.046 -4.446 -22.957 784 2HE MET 97 2HE MET 97 7.024 -5.800 -21.774 785 3HE MET 97 3HE MET 97 7.732 -6.047 -23.404 786 H SER 98 H SER 98 2.247 -6.036 -28.093 787 HA SER 98 HA SER 98 2.594 -8.176 -30.028 788 1HB SER 98 1HB SER 98 0.128 -8.323 -30.131 789 2HB SER 98 2HB SER 98 0.774 -8.526 -28.459 790 HG SER 98 HG SER 98 -0.041 -6.047 -29.500 Start of MODEL 10 1 1H MET 1 1H MET 1 -4.744 11.214 -63.814 2 2H MET 1 2H MET 1 -5.386 11.056 -62.255 3 3H MET 1 3H MET 1 -4.531 12.467 -62.681 4 HA MET 1 HA MET 1 -2.542 11.125 -62.992 5 1HB MET 1 1HB MET 1 -2.990 12.275 -60.792 6 2HB MET 1 2HB MET 1 -3.854 10.808 -60.215 7 1HG MET 1 1HG MET 1 -1.732 9.498 -60.365 8 2HG MET 1 2HG MET 1 -0.878 10.939 -61.002 9 1HE MET 1 1HE MET 1 0.654 10.310 -57.471 10 2HE MET 1 2HE MET 1 0.006 9.086 -58.615 11 3HE MET 1 3HE MET 1 0.943 10.491 -59.235 12 H ALA 2 H ALA 2 -1.620 9.017 -63.366 13 HA ALA 2 HA ALA 2 -3.321 6.737 -63.512 14 1HB ALA 2 1HB ALA 2 -1.263 5.443 -64.051 15 2HB ALA 2 2HB ALA 2 -0.254 6.864 -63.592 16 3HB ALA 2 3HB ALA 2 -1.354 6.959 -65.018 17 H SER 3 H SER 3 -4.172 5.821 -61.638 18 HA SER 3 HA SER 3 -2.595 5.914 -59.158 19 1HB SER 3 1HB SER 3 -5.548 5.204 -59.616 20 2HB SER 3 2HB SER 3 -4.734 5.416 -58.017 21 HG SER 3 HG SER 3 -5.010 7.364 -60.074 22 H ASN 4 H ASN 4 -1.093 4.142 -59.916 23 HA ASN 4 HA ASN 4 -2.259 1.470 -60.220 24 1HB ASN 4 1HB ASN 4 0.660 2.419 -60.450 25 2HB ASN 4 2HB ASN 4 0.090 0.744 -60.791 26 1HD2 ASN 4 1HD2 ASN 4 -1.706 0.548 -62.509 27 2HD2 ASN 4 2HD2 ASN 4 -1.646 1.636 -63.855 28 H PHE 5 H PHE 5 -2.948 0.861 -58.080 29 HA PHE 5 HA PHE 5 -1.207 1.253 -55.823 30 1HB PHE 5 1HB PHE 5 -3.871 -0.284 -55.993 31 2HB PHE 5 2HB PHE 5 -3.005 0.141 -54.467 32 HD1 PHE 5 HD1 PHE 5 -5.441 1.258 -56.845 33 HD2 PHE 5 HD2 PHE 5 -2.411 2.670 -54.135 34 HE1 PHE 5 HE1 PHE 5 -6.522 3.478 -56.787 35 HE2 PHE 5 HE2 PHE 5 -3.496 4.892 -54.087 36 HZ PHE 5 HZ PHE 5 -5.555 5.300 -55.408 37 H LYS 6 H LYS 6 0.704 -0.052 -56.366 38 HA LYS 6 HA LYS 6 0.463 -2.952 -56.427 39 1HB LYS 6 1HB LYS 6 2.219 -1.696 -57.714 40 2HB LYS 6 2HB LYS 6 2.987 -1.243 -56.158 41 1HG LYS 6 1HG LYS 6 3.386 -3.696 -55.677 42 2HG LYS 6 2HG LYS 6 2.514 -4.121 -57.190 43 1HD LYS 6 1HD LYS 6 4.882 -4.312 -57.594 44 2HD LYS 6 2HD LYS 6 4.254 -2.910 -58.532 45 1HE LYS 6 1HE LYS 6 5.194 -1.333 -56.784 46 2HE LYS 6 2HE LYS 6 5.788 -2.752 -55.833 47 1HZ LYS 6 1HZ LYS 6 7.182 -3.345 -57.703 48 2HZ LYS 6 2HZ LYS 6 7.504 -1.767 -57.171 49 3HZ LYS 6 3HZ LYS 6 6.618 -2.015 -58.597 50 H LYS 7 H LYS 7 -0.647 -3.313 -54.371 51 HA LYS 7 HA LYS 7 -0.840 -3.895 -52.259 52 1HB LYS 7 1HB LYS 7 1.439 -4.884 -52.195 53 2HB LYS 7 2HB LYS 7 2.083 -3.300 -51.644 54 1HG LYS 7 1HG LYS 7 0.615 -3.420 -49.604 55 2HG LYS 7 2HG LYS 7 -0.027 -5.004 -50.165 56 1HD LYS 7 1HD LYS 7 2.257 -5.993 -49.988 57 2HD LYS 7 2HD LYS 7 2.920 -4.388 -49.501 58 1HE LYS 7 1HE LYS 7 1.464 -4.404 -47.438 59 2HE LYS 7 2HE LYS 7 0.808 -6.021 -47.917 60 1HZ LYS 7 1HZ LYS 7 2.554 -6.190 -46.297 61 2HZ LYS 7 2HZ LYS 7 3.655 -5.392 -47.313 62 3HZ LYS 7 3HZ LYS 7 3.036 -6.912 -47.755 63 H ALA 8 H ALA 8 -2.167 -2.602 -51.016 64 HA ALA 8 HA ALA 8 -1.636 0.200 -50.623 65 1HB ALA 8 1HB ALA 8 -3.720 -1.592 -49.252 66 2HB ALA 8 2HB ALA 8 -3.671 0.210 -49.192 67 3HB ALA 8 3HB ALA 8 -3.984 -0.627 -50.751 68 H ASN 9 H ASN 9 -1.003 1.319 -48.695 69 HA ASN 9 HA ASN 9 0.647 -0.076 -46.831 70 1HB ASN 9 1HB ASN 9 1.035 2.317 -47.518 71 2HB ASN 9 2HB ASN 9 -0.471 2.793 -46.668 72 1HD2 ASN 9 1HD2 ASN 9 2.664 0.997 -46.030 73 2HD2 ASN 9 2HD2 ASN 9 2.882 1.627 -44.430 74 H MET 10 H MET 10 -2.452 1.804 -46.054 75 HA MET 10 HA MET 10 -2.794 0.206 -43.620 76 1HB MET 10 1HB MET 10 -4.593 2.391 -44.806 77 2HB MET 10 2HB MET 10 -4.799 1.614 -43.199 78 1HG MET 10 1HG MET 10 -2.416 3.346 -44.109 79 2HG MET 10 2HG MET 10 -3.761 3.861 -43.051 80 1HE MET 10 1HE MET 10 -1.989 4.812 -41.434 81 2HE MET 10 2HE MET 10 -0.621 3.884 -40.732 82 3HE MET 10 3HE MET 10 -0.668 4.212 -42.498 83 H ALA 11 H ALA 11 -3.041 -1.912 -44.781 84 HA ALA 11 HA ALA 11 -5.183 -2.219 -46.691 85 1HB ALA 11 1HB ALA 11 -3.029 -3.420 -46.968 86 2HB ALA 11 2HB ALA 11 -4.391 -4.589 -46.849 87 3HB ALA 11 3HB ALA 11 -3.320 -4.308 -45.429 88 H SER 12 H SER 12 -7.015 -1.607 -45.130 89 HA SER 12 HA SER 12 -8.130 -4.039 -43.886 90 1HB SER 12 1HB SER 12 -6.931 -2.670 -42.100 91 2HB SER 12 2HB SER 12 -8.067 -1.317 -42.427 92 HG SER 12 HG SER 12 -9.717 -2.567 -41.678 93 H SER 13 H SER 13 -9.561 -3.979 -45.879 94 HA SER 13 HA SER 13 -11.616 -1.886 -45.880 95 1HB SER 13 1HB SER 13 -10.819 -2.920 -48.064 96 2HB SER 13 2HB SER 13 -11.556 -4.474 -47.540 97 HG SER 13 HG SER 13 -12.772 -1.997 -48.162 98 H SER 14 H SER 14 -12.453 -2.168 -43.700 99 HA SER 14 HA SER 14 -13.151 -4.745 -42.710 100 1HB SER 14 1HB SER 14 -13.798 -1.993 -41.523 101 2HB SER 14 2HB SER 14 -13.830 -3.572 -40.646 102 HG SER 14 HG SER 14 -11.640 -3.762 -40.990 103 H GLN 15 H GLN 15 -14.710 -5.387 -44.404 104 HA GLN 15 HA GLN 15 -17.295 -4.112 -44.532 105 1HB GLN 15 1HB GLN 15 -16.272 -6.711 -45.786 106 2HB GLN 15 2HB GLN 15 -17.842 -5.919 -46.183 107 1HG GLN 15 1HG GLN 15 -16.681 -3.898 -47.008 108 2HG GLN 15 2HG GLN 15 -15.083 -4.541 -46.488 109 1HE2 GLN 15 1HE2 GLN 15 -14.398 -4.233 -48.724 110 2HE2 GLN 15 2HE2 GLN 15 -14.819 -5.379 -49.953 111 H ARG 16 H ARG 16 -16.444 -7.569 -43.586 112 HA ARG 16 HA ARG 16 -18.042 -7.314 -41.220 113 1HB ARG 16 1HB ARG 16 -19.796 -8.021 -42.936 114 2HB ARG 16 2HB ARG 16 -18.853 -9.507 -43.243 115 1HG ARG 16 1HG ARG 16 -20.716 -10.008 -41.781 116 2HG ARG 16 2HG ARG 16 -19.205 -10.179 -40.818 117 1HD ARG 16 1HD ARG 16 -19.619 -7.941 -39.745 118 2HD ARG 16 2HD ARG 16 -21.091 -7.710 -40.790 119 HE ARG 16 HE ARG 16 -21.349 -10.203 -39.404 120 1HH1 ARG 16 1HH1 ARG 16 -21.277 -6.687 -38.693 121 2HH1 ARG 16 2HH1 ARG 16 -22.295 -6.788 -37.318 122 1HH2 ARG 16 1HH2 ARG 16 -22.757 -10.333 -37.504 123 2HH2 ARG 16 2HH2 ARG 16 -23.155 -8.917 -36.625 124 H LYS 17 H LYS 17 -16.888 -10.221 -43.180 125 HA LYS 17 HA LYS 17 -14.563 -10.455 -41.382 126 1HB LYS 17 1HB LYS 17 -16.359 -12.826 -42.188 127 2HB LYS 17 2HB LYS 17 -14.731 -12.963 -41.433 128 1HG LYS 17 1HG LYS 17 -15.594 -11.752 -39.395 129 2HG LYS 17 2HG LYS 17 -17.212 -11.644 -40.165 130 1HD LYS 17 1HD LYS 17 -17.272 -13.449 -38.585 131 2HD LYS 17 2HD LYS 17 -17.342 -14.155 -40.239 132 1HE LYS 17 1HE LYS 17 -14.892 -14.774 -40.073 133 2HE LYS 17 2HE LYS 17 -14.817 -14.015 -38.432 134 1HZ LYS 17 1HZ LYS 17 -16.438 -15.621 -37.677 135 2HZ LYS 17 2HZ LYS 17 -16.519 -16.326 -39.220 136 3HZ LYS 17 3HZ LYS 17 -15.075 -16.387 -38.334 137 H ARG 18 H ARG 18 -13.327 -9.518 -43.217 138 HA ARG 18 HA ARG 18 -12.962 -11.307 -45.515 139 1HB ARG 18 1HB ARG 18 -14.897 -9.770 -46.081 140 2HB ARG 18 2HB ARG 18 -13.797 -8.368 -45.911 141 1HG ARG 18 1HG ARG 18 -12.378 -9.315 -47.791 142 2HG ARG 18 2HG ARG 18 -13.507 -10.715 -47.894 143 1HD ARG 18 1HD ARG 18 -15.403 -9.102 -48.429 144 2HD ARG 18 2HD ARG 18 -14.196 -7.740 -48.419 145 HE ARG 18 HE ARG 18 -13.173 -9.703 -50.181 146 1HH1 ARG 18 1HH1 ARG 18 -16.090 -7.587 -49.965 147 2HH1 ARG 18 2HH1 ARG 18 -16.385 -7.599 -51.655 148 1HH2 ARG 18 1HH2 ARG 18 -13.576 -9.645 -52.508 149 2HH2 ARG 18 2HH2 ARG 18 -14.905 -8.764 -53.137 150 H MET 19 H MET 19 -12.040 -7.816 -44.648 151 HA MET 19 HA MET 19 -9.191 -8.567 -45.001 152 1HB MET 19 1HB MET 19 -10.166 -7.646 -47.147 153 2HB MET 19 2HB MET 19 -10.640 -6.162 -46.265 154 1HG MET 19 1HG MET 19 -8.192 -5.684 -45.836 155 2HG MET 19 2HG MET 19 -7.765 -7.192 -46.706 156 1HE MET 19 1HE MET 19 -6.574 -4.488 -49.251 157 2HE MET 19 2HE MET 19 -6.557 -4.337 -47.464 158 3HE MET 19 3HE MET 19 -6.161 -5.912 -48.236 159 H SER 20 H SER 20 -8.709 -8.280 -42.700 160 HA SER 20 HA SER 20 -8.429 -5.578 -41.799 161 1HB SER 20 1HB SER 20 -10.442 -7.390 -40.317 162 2HB SER 20 2HB SER 20 -9.706 -5.904 -39.599 163 HG SER 20 HG SER 20 -10.902 -5.714 -42.104 164 HA PRO 21 HA PRO 21 -5.203 -8.245 -39.830 165 1HB PRO 21 1HB PRO 21 -4.566 -5.539 -38.511 166 2HB PRO 21 2HB PRO 21 -3.389 -6.760 -39.147 167 1HG PRO 21 1HG PRO 21 -3.982 -4.552 -40.637 168 2HG PRO 21 2HG PRO 21 -3.949 -6.176 -41.448 169 1HD PRO 21 1HD PRO 21 -6.408 -4.599 -40.489 170 2HD PRO 21 2HD PRO 21 -6.153 -5.511 -42.048 171 H LYS 22 H LYS 22 -5.188 -9.470 -37.931 172 HA LYS 22 HA LYS 22 -7.259 -8.750 -35.971 173 1HB LYS 22 1HB LYS 22 -7.279 -10.864 -37.456 174 2HB LYS 22 2HB LYS 22 -6.043 -11.528 -36.357 175 1HG LYS 22 1HG LYS 22 -8.885 -10.535 -35.618 176 2HG LYS 22 2HG LYS 22 -8.434 -12.243 -35.918 177 1HD LYS 22 1HD LYS 22 -7.426 -10.501 -33.591 178 2HD LYS 22 2HD LYS 22 -8.724 -11.733 -33.518 179 1HE LYS 22 1HE LYS 22 -7.089 -13.556 -34.074 180 2HE LYS 22 2HE LYS 22 -5.756 -12.335 -34.181 181 1HZ LYS 22 1HZ LYS 22 -5.722 -13.359 -32.056 182 2HZ LYS 22 2HZ LYS 22 -7.356 -13.001 -31.760 183 3HZ LYS 22 3HZ LYS 22 -6.221 -11.738 -31.885 184 HA PRO 23 HA PRO 23 -3.463 -8.501 -33.263 185 1HB PRO 23 1HB PRO 23 -4.466 -6.997 -31.125 186 2HB PRO 23 2HB PRO 23 -4.057 -6.266 -32.723 187 1HG PRO 23 1HG PRO 23 -6.814 -7.220 -31.767 188 2HG PRO 23 2HG PRO 23 -6.379 -5.609 -32.474 189 1HD PRO 23 1HD PRO 23 -7.435 -7.664 -34.016 190 2HD PRO 23 2HD PRO 23 -6.146 -6.561 -34.689 191 H GLU 24 H GLU 24 -2.724 -9.527 -31.216 192 HA GLU 24 HA GLU 24 -4.696 -11.508 -30.196 193 1HB GLU 24 1HB GLU 24 -2.649 -12.372 -31.524 194 2HB GLU 24 2HB GLU 24 -1.670 -11.899 -30.105 195 1HG GLU 24 1HG GLU 24 -2.261 -14.314 -29.993 196 2HG GLU 24 2HG GLU 24 -3.113 -13.442 -28.664 197 H LEU 25 H LEU 25 -5.553 -10.560 -28.384 198 HA LEU 25 HA LEU 25 -3.696 -10.055 -26.125 199 1HB LEU 25 1HB LEU 25 -6.465 -8.780 -26.498 200 2HB LEU 25 2HB LEU 25 -5.320 -8.484 -25.146 201 HG LEU 25 HG LEU 25 -4.882 -7.731 -28.106 202 1HD1 LEU 25 1HD1 LEU 25 -5.268 -5.386 -27.395 203 2HD1 LEU 25 2HD1 LEU 25 -5.615 -5.933 -25.712 204 3HD1 LEU 25 3HD1 LEU 25 -6.712 -6.412 -27.062 205 1HD2 LEU 25 1HD2 LEU 25 -2.963 -6.350 -27.297 206 2HD2 LEU 25 2HD2 LEU 25 -2.694 -8.096 -26.983 207 3HD2 LEU 25 3HD2 LEU 25 -3.180 -7.008 -25.632 208 H THR 26 H THR 26 -3.964 -11.638 -24.564 209 HA THR 26 HA THR 26 -6.591 -13.017 -24.384 210 HB THR 26 HB THR 26 -5.374 -15.131 -23.863 211 HG1 THR 26 HG1 THR 26 -3.114 -13.792 -24.908 212 1HG2 THR 26 1HG2 THR 26 -4.759 -15.638 -26.194 213 2HG2 THR 26 2HG2 THR 26 -6.254 -14.640 -26.153 214 3HG2 THR 26 3HG2 THR 26 -4.687 -13.890 -26.610 215 H GLU 27 H GLU 27 -5.546 -14.665 -22.128 216 HA GLU 27 HA GLU 27 -6.601 -12.937 -20.167 217 1HB GLU 27 1HB GLU 27 -7.095 -15.420 -20.435 218 2HB GLU 27 2HB GLU 27 -5.487 -15.746 -19.718 219 1HG GLU 27 1HG GLU 27 -7.184 -15.976 -17.978 220 2HG GLU 27 2HG GLU 27 -6.233 -14.493 -17.619 221 H GLU 28 H GLU 28 -3.244 -14.427 -20.354 222 HA GLU 28 HA GLU 28 -2.210 -13.288 -18.007 223 1HB GLU 28 1HB GLU 28 -1.147 -15.077 -19.377 224 2HB GLU 28 2HB GLU 28 -0.792 -13.880 -20.665 225 1HG GLU 28 1HG GLU 28 0.781 -12.671 -19.148 226 2HG GLU 28 2HG GLU 28 0.316 -13.752 -17.777 227 H GLN 29 H GLN 29 -2.034 -11.800 -21.403 228 HA GLN 29 HA GLN 29 -0.817 -9.391 -20.633 229 1HB GLN 29 1HB GLN 29 -2.849 -9.842 -22.879 230 2HB GLN 29 2HB GLN 29 -1.839 -8.364 -22.674 231 1HG GLN 29 1HG GLN 29 0.248 -9.714 -22.894 232 2HG GLN 29 2HG GLN 29 -0.721 -11.217 -23.113 233 1HE2 GLN 29 1HE2 GLN 29 -0.831 -11.752 -25.300 234 2HE2 GLN 29 2HE2 GLN 29 -1.135 -10.633 -26.592 235 H LYS 30 H LYS 30 -4.411 -10.005 -20.857 236 HA LYS 30 HA LYS 30 -5.438 -7.608 -19.867 237 1HB LYS 30 1HB LYS 30 -6.808 -9.425 -20.790 238 2HB LYS 30 2HB LYS 30 -6.195 -10.549 -19.547 239 1HG LYS 30 1HG LYS 30 -7.460 -9.187 -17.778 240 2HG LYS 30 2HG LYS 30 -8.256 -8.310 -19.134 241 1HD LYS 30 1HD LYS 30 -9.148 -10.469 -20.001 242 2HD LYS 30 2HD LYS 30 -8.090 -11.372 -18.865 243 1HE LYS 30 1HE LYS 30 -9.392 -10.367 -16.907 244 2HE LYS 30 2HE LYS 30 -10.583 -9.716 -18.112 245 1HZ LYS 30 1HZ LYS 30 -10.841 -12.034 -18.902 246 2HZ LYS 30 2HZ LYS 30 -9.786 -12.564 -17.691 247 3HZ LYS 30 3HZ LYS 30 -11.273 -11.850 -17.262 248 H GLN 31 H GLN 31 -4.453 -10.512 -17.824 249 HA GLN 31 HA GLN 31 -4.872 -9.291 -15.324 250 1HB GLN 31 1HB GLN 31 -4.109 -11.814 -16.239 251 2HB GLN 31 2HB GLN 31 -2.650 -11.294 -15.364 252 1HG GLN 31 1HG GLN 31 -5.557 -11.357 -14.269 253 2HG GLN 31 2HG GLN 31 -4.296 -12.601 -13.950 254 1HE2 GLN 31 1HE2 GLN 31 -2.137 -11.655 -13.024 255 2HE2 GLN 31 2HE2 GLN 31 -2.301 -10.500 -11.743 256 H GLU 32 H GLU 32 -1.646 -9.509 -17.148 257 HA GLU 32 HA GLU 32 -0.036 -8.145 -15.358 258 1HB GLU 32 1HB GLU 32 -0.083 -8.035 -18.418 259 2HB GLU 32 2HB GLU 32 1.239 -7.317 -17.439 260 1HG GLU 32 1HG GLU 32 1.824 -9.517 -16.478 261 2HG GLU 32 2HG GLU 32 0.502 -10.313 -17.407 262 H ILE 33 H ILE 33 -2.013 -6.484 -17.956 263 HA ILE 33 HA ILE 33 -1.096 -3.868 -17.241 264 HB ILE 33 HB ILE 33 -3.524 -4.852 -18.815 265 1HG1 ILE 33 1HG1 ILE 33 -1.384 -5.620 -19.799 266 2HG1 ILE 33 2HG1 ILE 33 -2.205 -4.416 -20.828 267 1HG2 ILE 33 1HG2 ILE 33 -3.529 -2.580 -19.881 268 2HG2 ILE 33 2HG2 ILE 33 -2.320 -2.011 -18.679 269 3HG2 ILE 33 3HG2 ILE 33 -3.964 -2.514 -18.140 270 1HD1 ILE 33 1HD1 ILE 33 -0.595 -2.638 -20.054 271 2HD1 ILE 33 2HD1 ILE 33 0.230 -3.852 -19.001 272 3HD1 ILE 33 3HD1 ILE 33 0.245 -4.053 -20.784 273 H ARG 34 H ARG 34 -4.312 -5.572 -16.388 274 HA ARG 34 HA ARG 34 -5.227 -3.444 -14.750 275 1HB ARG 34 1HB ARG 34 -6.714 -5.278 -15.489 276 2HB ARG 34 2HB ARG 34 -5.843 -6.444 -14.443 277 1HG ARG 34 1HG ARG 34 -6.968 -3.899 -13.197 278 2HG ARG 34 2HG ARG 34 -8.142 -5.148 -13.719 279 1HD ARG 34 1HD ARG 34 -7.352 -6.791 -12.131 280 2HD ARG 34 2HD ARG 34 -5.814 -5.907 -11.849 281 HE ARG 34 HE ARG 34 -6.840 -4.466 -10.353 282 1HH1 ARG 34 1HH1 ARG 34 -9.442 -6.298 -12.017 283 2HH1 ARG 34 2HH1 ARG 34 -10.682 -5.720 -10.972 284 1HH2 ARG 34 1HH2 ARG 34 -8.447 -3.682 -9.024 285 2HH2 ARG 34 2HH2 ARG 34 -10.113 -4.151 -9.192 286 H GLU 35 H GLU 35 -3.366 -6.503 -13.702 287 HA GLU 35 HA GLU 35 -3.282 -5.840 -11.018 288 1HB GLU 35 1HB GLU 35 -2.628 -8.052 -11.914 289 2HB GLU 35 2HB GLU 35 -1.120 -7.344 -12.582 290 1HG GLU 35 1HG GLU 35 -0.323 -6.808 -10.267 291 2HG GLU 35 2HG GLU 35 -1.881 -7.394 -9.575 292 H ALA 36 H ALA 36 -0.738 -4.716 -13.499 293 HA ALA 36 HA ALA 36 0.783 -3.420 -11.450 294 1HB ALA 36 1HB ALA 36 0.753 -2.895 -14.471 295 2HB ALA 36 2HB ALA 36 1.979 -2.252 -13.309 296 3HB ALA 36 3HB ALA 36 1.838 -4.024 -13.577 297 H PHE 37 H PHE 37 -1.525 -1.837 -13.911 298 HA PHE 37 HA PHE 37 -1.006 0.769 -12.850 299 1HB PHE 37 1HB PHE 37 -2.035 0.055 -15.167 300 2HB PHE 37 2HB PHE 37 -3.608 -0.025 -14.317 301 HD1 PHE 37 HD1 PHE 37 -4.422 2.163 -13.128 302 HD2 PHE 37 HD2 PHE 37 -1.130 2.073 -15.901 303 HE1 PHE 37 HE1 PHE 37 -4.629 4.601 -13.464 304 HE2 PHE 37 HE2 PHE 37 -1.413 4.487 -16.307 305 HZ PHE 37 HZ PHE 37 -3.116 5.763 -15.053 306 H ASP 38 H ASP 38 -3.819 -1.560 -12.177 307 HA ASP 38 HA ASP 38 -5.085 0.118 -10.240 308 1HB ASP 38 1HB ASP 38 -6.087 -1.896 -11.428 309 2HB ASP 38 2HB ASP 38 -5.006 -2.952 -10.455 310 H LEU 39 H LEU 39 -2.148 -2.160 -9.859 311 HA LEU 39 HA LEU 39 -2.035 -2.167 -7.083 312 1HB LEU 39 1HB LEU 39 -0.464 -3.495 -8.449 313 2HB LEU 39 2HB LEU 39 0.341 -1.996 -9.006 314 HG LEU 39 HG LEU 39 1.109 -1.529 -6.687 315 1HD1 LEU 39 1HD1 LEU 39 0.928 -3.288 -4.903 316 2HD1 LEU 39 2HD1 LEU 39 -0.677 -2.603 -5.333 317 3HD1 LEU 39 3HD1 LEU 39 -0.198 -4.230 -5.950 318 1HD2 LEU 39 1HD2 LEU 39 2.809 -3.328 -6.561 319 2HD2 LEU 39 2HD2 LEU 39 1.826 -4.364 -7.665 320 3HD2 LEU 39 3HD2 LEU 39 2.535 -2.820 -8.269 321 H PHE 40 H PHE 40 -0.594 0.334 -9.292 322 HA PHE 40 HA PHE 40 0.163 1.968 -7.008 323 1HB PHE 40 1HB PHE 40 0.500 2.464 -10.007 324 2HB PHE 40 2HB PHE 40 1.113 3.565 -8.701 325 HD1 PHE 40 HD1 PHE 40 2.632 2.612 -6.910 326 HD2 PHE 40 HD2 PHE 40 1.732 0.433 -10.500 327 HE1 PHE 40 HE1 PHE 40 4.509 1.069 -6.448 328 HE2 PHE 40 HE2 PHE 40 3.585 -1.124 -10.022 329 HZ PHE 40 HZ PHE 40 4.975 -0.820 -7.993 330 H ASP 41 H ASP 41 -2.386 2.335 -9.619 331 HA ASP 41 HA ASP 41 -3.596 4.488 -7.979 332 1HB ASP 41 1HB ASP 41 -3.199 4.936 -10.448 333 2HB ASP 41 2HB ASP 41 -4.330 3.595 -10.826 334 H ALA 42 H ALA 42 -4.323 2.865 -6.300 335 HA ALA 42 HA ALA 42 -6.093 0.719 -7.110 336 1HB ALA 42 1HB ALA 42 -5.427 1.733 -4.289 337 2HB ALA 42 2HB ALA 42 -6.247 0.175 -4.698 338 3HB ALA 42 3HB ALA 42 -4.538 0.449 -5.193 339 H ASP 43 H ASP 43 -6.761 3.989 -5.716 340 HA ASP 43 HA ASP 43 -9.538 3.520 -5.186 341 1HB ASP 43 1HB ASP 43 -8.109 5.386 -4.191 342 2HB ASP 43 2HB ASP 43 -8.123 6.186 -5.802 343 H GLY 44 H GLY 44 -7.793 4.759 -8.170 344 1HA GLY 44 1HA GLY 44 -8.663 4.477 -10.313 345 2HA GLY 44 2HA GLY 44 -10.339 4.611 -9.679 346 H THR 45 H THR 45 -7.268 6.538 -9.977 347 HA THR 45 HA THR 45 -8.895 9.015 -9.910 348 HB THR 45 HB THR 45 -6.811 10.152 -9.183 349 HG1 THR 45 HG1 THR 45 -5.831 7.466 -8.982 350 1HG2 THR 45 1HG2 THR 45 -8.572 9.340 -7.577 351 2HG2 THR 45 2HG2 THR 45 -7.732 7.756 -7.443 352 3HG2 THR 45 3HG2 THR 45 -6.921 9.255 -6.861 353 H GLY 46 H GLY 46 -5.887 7.757 -11.669 354 1HA GLY 46 1HA GLY 46 -6.563 8.628 -14.163 355 2HA GLY 46 2HA GLY 46 -5.887 10.089 -13.359 356 H THR 47 H THR 47 -3.593 9.579 -12.208 357 HA THR 47 HA THR 47 -2.020 8.282 -14.340 358 HB THR 47 HB THR 47 -0.219 9.914 -14.016 359 HG1 THR 47 HG1 THR 47 -0.425 10.831 -12.143 360 1HG2 THR 47 1HG2 THR 47 -1.968 10.157 -15.809 361 2HG2 THR 47 2HG2 THR 47 -2.987 11.138 -14.689 362 3HG2 THR 47 3HG2 THR 47 -1.378 11.752 -15.219 363 H ILE 48 H ILE 48 -0.289 7.099 -13.980 364 HA ILE 48 HA ILE 48 0.686 6.626 -11.205 365 HB ILE 48 HB ILE 48 -0.128 4.503 -12.145 366 1HG1 ILE 48 1HG1 ILE 48 2.948 4.772 -12.253 367 2HG1 ILE 48 2HG1 ILE 48 1.918 4.340 -10.849 368 1HG2 ILE 48 1HG2 ILE 48 1.713 4.892 -14.587 369 2HG2 ILE 48 2HG2 ILE 48 -0.044 5.273 -14.603 370 3HG2 ILE 48 3HG2 ILE 48 0.507 3.598 -14.294 371 1HD1 ILE 48 1HD1 ILE 48 1.234 2.213 -12.132 372 2HD1 ILE 48 2HD1 ILE 48 2.994 2.314 -11.745 373 3HD1 ILE 48 3HD1 ILE 48 2.426 2.663 -13.410 374 H ASP 49 H ASP 49 2.714 7.601 -10.953 375 HA ASP 49 HA ASP 49 3.805 8.949 -13.362 376 1HB ASP 49 1HB ASP 49 3.969 9.624 -10.397 377 2HB ASP 49 2HB ASP 49 5.070 10.386 -11.606 378 H VAL 50 H VAL 50 6.307 9.333 -13.393 379 HA VAL 50 HA VAL 50 7.374 6.918 -14.061 380 HB VAL 50 HB VAL 50 9.661 8.019 -14.152 381 1HG1 VAL 50 1HG1 VAL 50 8.881 9.419 -16.084 382 2HG1 VAL 50 2HG1 VAL 50 8.108 7.792 -16.050 383 3HG1 VAL 50 3HG1 VAL 50 7.176 9.230 -15.522 384 1HG2 VAL 50 1HG2 VAL 50 9.685 10.483 -13.845 385 2HG2 VAL 50 2HG2 VAL 50 9.277 9.683 -12.287 386 3HG2 VAL 50 3HG2 VAL 50 7.986 10.481 -13.264 387 H LYS 51 H LYS 51 7.894 8.212 -10.720 388 HA LYS 51 HA LYS 51 9.853 6.348 -9.883 389 1HB LYS 51 1HB LYS 51 7.457 7.426 -8.277 390 2HB LYS 51 2HB LYS 51 8.951 6.702 -7.584 391 1HG LYS 51 1HG LYS 51 10.290 8.609 -8.449 392 2HG LYS 51 2HG LYS 51 8.846 9.285 -9.281 393 1HD LYS 51 1HD LYS 51 7.674 9.497 -7.076 394 2HD LYS 51 2HD LYS 51 9.179 8.960 -6.243 395 1HE LYS 51 1HE LYS 51 10.406 10.962 -7.146 396 2HE LYS 51 2HE LYS 51 8.929 11.466 -8.063 397 1HZ LYS 51 1HZ LYS 51 9.173 12.673 -6.022 398 2HZ LYS 51 2HZ LYS 51 9.157 11.246 -5.104 399 3HZ LYS 51 3HZ LYS 51 7.776 11.715 -5.974 400 H GLU 52 H GLU 52 6.263 6.091 -9.412 401 HA GLU 52 HA GLU 52 5.994 3.395 -8.728 402 1HB GLU 52 1HB GLU 52 4.135 5.253 -10.299 403 2HB GLU 52 2HB GLU 52 3.620 3.762 -9.440 404 1HG GLU 52 1HG GLU 52 4.147 4.775 -7.253 405 2HG GLU 52 2HG GLU 52 4.868 6.235 -8.032 406 H LEU 53 H LEU 53 5.729 4.884 -12.132 407 HA LEU 53 HA LEU 53 5.217 2.464 -13.447 408 1HB LEU 53 1HB LEU 53 4.999 4.825 -14.370 409 2HB LEU 53 2HB LEU 53 6.782 4.864 -14.543 410 HG LEU 53 HG LEU 53 6.646 2.922 -16.148 411 1HD1 LEU 53 1HD1 LEU 53 3.595 3.266 -15.812 412 2HD1 LEU 53 2HD1 LEU 53 4.572 1.805 -15.410 413 3HD1 LEU 53 3HD1 LEU 53 4.393 2.314 -17.119 414 1HD2 LEU 53 1HD2 LEU 53 5.749 4.208 -18.056 415 2HD2 LEU 53 2HD2 LEU 53 4.901 5.337 -16.932 416 3HD2 LEU 53 3HD2 LEU 53 6.704 5.277 -16.964 417 H LYS 54 H LYS 54 8.514 3.838 -12.633 418 HA LYS 54 HA LYS 54 10.014 1.872 -13.996 419 1HB LYS 54 1HB LYS 54 10.860 4.062 -13.096 420 2HB LYS 54 2HB LYS 54 10.844 3.357 -11.448 421 1HG LYS 54 1HG LYS 54 12.547 1.669 -12.149 422 2HG LYS 54 2HG LYS 54 12.389 2.198 -13.862 423 1HD LYS 54 1HD LYS 54 13.204 4.484 -13.223 424 2HD LYS 54 2HD LYS 54 13.472 3.907 -11.539 425 1HE LYS 54 1HE LYS 54 15.162 2.237 -12.368 426 2HE LYS 54 2HE LYS 54 14.842 2.749 -14.075 427 1HZ LYS 54 1HZ LYS 54 16.802 3.777 -13.184 428 2HZ LYS 54 2HZ LYS 54 15.928 4.477 -11.908 429 3HZ LYS 54 3HZ LYS 54 15.622 4.948 -13.511 430 H VAL 55 H VAL 55 9.015 1.848 -10.426 431 HA VAL 55 HA VAL 55 9.956 -0.838 -10.070 432 HB VAL 55 HB VAL 55 8.606 -0.954 -8.014 433 1HG1 VAL 55 1HG1 VAL 55 10.374 1.562 -8.401 434 2HG1 VAL 55 2HG1 VAL 55 10.012 0.736 -6.843 435 3HG1 VAL 55 3HG1 VAL 55 10.971 -0.116 -8.109 436 1HG2 VAL 55 1HG2 VAL 55 6.711 0.558 -8.769 437 2HG2 VAL 55 2HG2 VAL 55 7.837 1.960 -8.739 438 3HG2 VAL 55 3HG2 VAL 55 7.445 1.091 -7.216 439 H ALA 56 H ALA 56 6.824 0.378 -11.356 440 HA ALA 56 HA ALA 56 5.471 -2.100 -11.438 441 1HB ALA 56 1HB ALA 56 5.260 0.162 -13.512 442 2HB ALA 56 2HB ALA 56 4.063 -1.150 -13.225 443 3HB ALA 56 3HB ALA 56 4.350 0.100 -11.963 444 H MET 57 H MET 57 7.633 -0.610 -14.004 445 HA MET 57 HA MET 57 7.657 -2.889 -15.707 446 1HB MET 57 1HB MET 57 9.409 -0.445 -15.373 447 2HB MET 57 2HB MET 57 9.982 -1.793 -16.410 448 1HG MET 57 1HG MET 57 8.836 0.035 -17.656 449 2HG MET 57 2HG MET 57 8.247 -1.623 -17.956 450 1HE MET 57 1HE MET 57 6.703 -0.140 -19.332 451 2HE MET 57 2HE MET 57 5.300 0.803 -18.711 452 3HE MET 57 3HE MET 57 6.966 1.463 -18.567 453 H ARG 58 H ARG 58 9.627 -2.353 -12.687 454 HA ARG 58 HA ARG 58 11.434 -4.528 -13.195 455 1HB ARG 58 1HB ARG 58 10.476 -3.291 -10.563 456 2HB ARG 58 2HB ARG 58 11.680 -4.628 -10.658 457 1HG ARG 58 1HG ARG 58 13.160 -3.269 -12.079 458 2HG ARG 58 2HG ARG 58 12.020 -1.877 -12.002 459 1HD ARG 58 1HD ARG 58 12.368 -1.626 -9.570 460 2HD ARG 58 2HD ARG 58 13.347 -3.162 -9.515 461 HE ARG 58 HE ARG 58 14.590 -1.518 -11.437 462 1HH1 ARG 58 1HH1 ARG 58 13.900 -1.408 -7.922 463 2HH1 ARG 58 2HH1 ARG 58 15.360 -0.611 -7.500 464 1HH2 ARG 58 1HH2 ARG 58 16.615 -0.449 -10.849 465 2HH2 ARG 58 2HH2 ARG 58 16.940 -0.038 -9.215 466 H ALA 59 H ALA 59 8.287 -4.525 -11.197 467 HA ALA 59 HA ALA 59 8.300 -7.365 -10.924 468 1HB ALA 59 1HB ALA 59 5.980 -7.091 -10.050 469 2HB ALA 59 2HB ALA 59 7.094 -5.872 -9.338 470 3HB ALA 59 3HB ALA 59 5.961 -5.390 -10.651 471 H LEU 60 H LEU 60 6.254 -5.311 -13.236 472 HA LEU 60 HA LEU 60 5.172 -7.679 -14.526 473 1HB LEU 60 1HB LEU 60 4.046 -5.406 -14.318 474 2HB LEU 60 2HB LEU 60 5.217 -4.746 -15.486 475 HG LEU 60 HG LEU 60 3.140 -6.964 -16.030 476 1HD1 LEU 60 1HD1 LEU 60 2.063 -4.804 -15.539 477 2HD1 LEU 60 2HD1 LEU 60 3.119 -3.955 -16.731 478 3HD1 LEU 60 3HD1 LEU 60 1.904 -5.165 -17.291 479 1HD2 LEU 60 1HD2 LEU 60 4.958 -5.479 -18.037 480 2HD2 LEU 60 2HD2 LEU 60 3.483 -6.416 -18.488 481 3HD2 LEU 60 3HD2 LEU 60 4.861 -7.260 -17.738 482 H GLY 61 H GLY 61 7.553 -5.073 -15.631 483 1HA GLY 61 1HA GLY 61 7.875 -6.242 -18.164 484 2HA GLY 61 2HA GLY 61 8.946 -5.038 -17.392 485 H PHE 62 H PHE 62 10.055 -6.676 -15.254 486 HA PHE 62 HA PHE 62 11.509 -8.255 -14.756 487 1HB PHE 62 1HB PHE 62 10.666 -9.854 -17.250 488 2HB PHE 62 2HB PHE 62 11.780 -10.441 -15.963 489 HD1 PHE 62 HD1 PHE 62 8.390 -10.365 -17.013 490 HD2 PHE 62 HD2 PHE 62 10.855 -10.287 -13.488 491 HE1 PHE 62 HE1 PHE 62 6.505 -11.231 -15.674 492 HE2 PHE 62 HE2 PHE 62 8.964 -11.155 -12.153 493 HZ PHE 62 HZ PHE 62 6.788 -11.634 -13.242 494 H GLU 63 H GLU 63 13.836 -7.975 -14.919 495 HA GLU 63 HA GLU 63 14.574 -6.277 -17.007 496 1HB GLU 63 1HB GLU 63 16.521 -7.648 -15.132 497 2HB GLU 63 2HB GLU 63 16.821 -6.168 -16.108 498 1HG GLU 63 1HG GLU 63 14.781 -6.458 -13.808 499 2HG GLU 63 2HG GLU 63 16.305 -5.508 -13.800 500 HA PRO 64 HA PRO 64 16.935 -9.759 -19.571 501 1HB PRO 64 1HB PRO 64 14.077 -10.582 -20.357 502 2HB PRO 64 2HB PRO 64 15.606 -11.491 -20.723 503 1HG PRO 64 1HG PRO 64 14.176 -12.203 -18.527 504 2HG PRO 64 2HG PRO 64 15.967 -11.967 -18.354 505 1HD PRO 64 1HD PRO 64 13.710 -10.081 -17.561 506 2HD PRO 64 2HD PRO 64 15.269 -10.418 -16.674 507 H LYS 65 H LYS 65 14.580 -7.271 -20.106 508 HA LYS 65 HA LYS 65 14.082 -7.079 -22.730 509 1HB LYS 65 1HB LYS 65 14.912 -4.718 -20.945 510 2HB LYS 65 2HB LYS 65 13.787 -4.625 -22.340 511 1HG LYS 65 1HG LYS 65 12.008 -5.278 -21.088 512 2HG LYS 65 2HG LYS 65 12.891 -6.525 -20.169 513 1HD LYS 65 1HD LYS 65 13.939 -4.835 -18.725 514 2HD LYS 65 2HD LYS 65 13.176 -3.499 -19.663 515 1HE LYS 65 1HE LYS 65 10.922 -4.158 -18.935 516 2HE LYS 65 2HE LYS 65 11.550 -5.689 -18.238 517 1HZ LYS 65 1HZ LYS 65 12.716 -4.409 -16.533 518 2HZ LYS 65 2HZ LYS 65 11.067 -4.062 -16.563 519 3HZ LYS 65 3HZ LYS 65 12.174 -2.967 -17.240 520 H LYS 66 H LYS 66 17.241 -5.837 -21.386 521 HA LYS 66 HA LYS 66 19.061 -4.991 -22.350 522 1HB LYS 66 1HB LYS 66 18.768 -6.407 -24.397 523 2HB LYS 66 2HB LYS 66 17.862 -5.057 -25.157 524 1HG LYS 66 1HG LYS 66 19.862 -3.565 -24.896 525 2HG LYS 66 2HG LYS 66 20.784 -4.926 -24.168 526 1HD LYS 66 1HD LYS 66 19.583 -4.875 -27.011 527 2HD LYS 66 2HD LYS 66 21.291 -4.496 -26.593 528 1HE LYS 66 1HE LYS 66 21.610 -6.837 -25.710 529 2HE LYS 66 2HE LYS 66 19.906 -7.241 -26.165 530 1HZ LYS 66 1HZ LYS 66 20.458 -6.766 -28.453 531 2HZ LYS 66 2HZ LYS 66 22.060 -6.388 -28.031 532 3HZ LYS 66 3HZ LYS 66 21.472 -7.964 -27.807 533 H GLU 67 H GLU 67 16.166 -3.542 -24.091 534 HA GLU 67 HA GLU 67 16.791 -0.981 -22.727 535 1HB GLU 67 1HB GLU 67 15.502 -1.202 -25.495 536 2HB GLU 67 2HB GLU 67 15.791 0.311 -24.539 537 1HG GLU 67 1HG GLU 67 18.310 -0.261 -24.629 538 2HG GLU 67 2HG GLU 67 17.889 -1.570 -25.798 539 H GLU 68 H GLU 68 13.955 -0.605 -24.395 540 HA GLU 68 HA GLU 68 11.784 -0.668 -24.123 541 1HB GLU 68 1HB GLU 68 11.830 -3.093 -23.397 542 2HB GLU 68 2HB GLU 68 12.114 -2.541 -21.723 543 1HG GLU 68 1HG GLU 68 9.783 -1.151 -22.210 544 2HG GLU 68 2HG GLU 68 9.551 -2.498 -23.370 545 H ILE 69 H ILE 69 13.198 -0.721 -20.762 546 HA ILE 69 HA ILE 69 11.291 1.241 -19.839 547 HB ILE 69 HB ILE 69 12.430 1.180 -17.694 548 1HG1 ILE 69 1HG1 ILE 69 14.264 -0.839 -17.676 549 2HG1 ILE 69 2HG1 ILE 69 14.675 -0.163 -19.276 550 1HG2 ILE 69 1HG2 ILE 69 11.911 -1.153 -17.256 551 2HG2 ILE 69 2HG2 ILE 69 10.770 -0.550 -18.517 552 3HG2 ILE 69 3HG2 ILE 69 12.138 -1.610 -18.989 553 1HD1 ILE 69 1HD1 ILE 69 14.607 1.362 -16.575 554 2HD1 ILE 69 2HD1 ILE 69 15.065 2.103 -18.151 555 3HD1 ILE 69 3HD1 ILE 69 16.084 0.801 -17.441 556 H LYS 70 H LYS 70 14.694 1.575 -21.012 557 HA LYS 70 HA LYS 70 15.037 4.355 -20.386 558 1HB LYS 70 1HB LYS 70 16.890 2.731 -21.082 559 2HB LYS 70 2HB LYS 70 16.129 2.635 -22.699 560 1HG LYS 70 1HG LYS 70 16.526 5.380 -22.499 561 2HG LYS 70 2HG LYS 70 17.877 4.781 -21.493 562 1HD LYS 70 1HD LYS 70 17.189 3.934 -24.381 563 2HD LYS 70 2HD LYS 70 18.449 5.135 -23.927 564 1HE LYS 70 1HE LYS 70 19.825 3.386 -22.840 565 2HE LYS 70 2HE LYS 70 18.523 2.149 -23.075 566 1HZ LYS 70 1HZ LYS 70 18.733 2.353 -25.415 567 2HZ LYS 70 2HZ LYS 70 20.252 1.993 -24.729 568 3HZ LYS 70 3HZ LYS 70 19.928 3.568 -25.278 569 H LYS 71 H LYS 71 13.701 2.580 -23.292 570 HA LYS 71 HA LYS 71 13.008 4.861 -24.828 571 1HB LYS 71 1HB LYS 71 11.605 2.128 -24.826 572 2HB LYS 71 2HB LYS 71 11.478 3.410 -26.081 573 1HG LYS 71 1HG LYS 71 14.011 3.184 -26.432 574 2HG LYS 71 2HG LYS 71 13.960 1.738 -25.362 575 1HD LYS 71 1HD LYS 71 12.174 0.759 -26.931 576 2HD LYS 71 2HD LYS 71 12.485 2.129 -28.047 577 1HE LYS 71 1HE LYS 71 14.503 -0.038 -27.140 578 2HE LYS 71 2HE LYS 71 13.750 0.096 -28.775 579 1HZ LYS 71 1HZ LYS 71 16.092 0.939 -28.386 580 2HZ LYS 71 2HZ LYS 71 15.028 1.974 -29.249 581 3HZ LYS 71 3HZ LYS 71 15.410 2.262 -27.612 582 H MET 72 H MET 72 10.843 2.928 -22.426 583 HA MET 72 HA MET 72 8.610 4.587 -22.806 584 1HB MET 72 1HB MET 72 9.443 2.731 -20.581 585 2HB MET 72 2HB MET 72 8.199 3.953 -20.183 586 1HG MET 72 1HG MET 72 6.937 2.155 -20.757 587 2HG MET 72 2HG MET 72 6.829 3.217 -22.178 588 1HE MET 72 1HE MET 72 6.894 2.347 -24.448 589 2HE MET 72 2HE MET 72 8.117 1.188 -25.079 590 3HE MET 72 3HE MET 72 8.641 2.751 -24.364 591 H ILE 73 H ILE 73 11.280 5.187 -20.288 592 HA ILE 73 HA ILE 73 10.011 7.511 -19.239 593 HB ILE 73 HB ILE 73 12.971 6.797 -19.259 594 1HG1 ILE 73 1HG1 ILE 73 11.572 5.026 -18.192 595 2HG1 ILE 73 2HG1 ILE 73 12.637 5.872 -17.036 596 1HG2 ILE 73 1HG2 ILE 73 12.731 9.197 -18.751 597 2HG2 ILE 73 2HG2 ILE 73 11.382 8.874 -17.602 598 3HG2 ILE 73 3HG2 ILE 73 13.056 8.324 -17.218 599 1HD1 ILE 73 1HD1 ILE 73 9.598 6.351 -17.362 600 2HD1 ILE 73 2HD1 ILE 73 10.674 7.192 -16.182 601 3HD1 ILE 73 3HD1 ILE 73 10.402 5.420 -16.052 602 H SER 74 H SER 74 12.631 7.351 -21.879 603 HA SER 74 HA SER 74 12.523 10.166 -22.340 604 1HB SER 74 1HB SER 74 13.477 7.925 -24.208 605 2HB SER 74 2HB SER 74 13.857 9.682 -24.387 606 HG SER 74 HG SER 74 14.993 9.601 -22.505 607 H GLU 75 H GLU 75 10.346 7.643 -23.564 608 HA GLU 75 HA GLU 75 9.376 9.101 -25.845 609 1HB GLU 75 1HB GLU 75 9.347 6.644 -25.695 610 2HB GLU 75 2HB GLU 75 8.225 6.714 -24.299 611 1HG GLU 75 1HG GLU 75 6.412 7.582 -25.764 612 2HG GLU 75 2HG GLU 75 7.566 7.733 -27.148 613 H ILE 76 H ILE 76 7.670 8.330 -22.598 614 HA ILE 76 HA ILE 76 5.649 10.299 -23.269 615 HB ILE 76 HB ILE 76 5.822 8.926 -20.580 616 1HG1 ILE 76 1HG1 ILE 76 4.941 7.749 -23.292 617 2HG1 ILE 76 2HG1 ILE 76 6.209 7.118 -22.181 618 1HG2 ILE 76 1HG2 ILE 76 3.327 9.133 -20.757 619 2HG2 ILE 76 2HG2 ILE 76 4.079 10.733 -20.972 620 3HG2 ILE 76 3HG2 ILE 76 3.481 9.828 -22.409 621 1HD1 ILE 76 1HD1 ILE 76 4.261 5.709 -21.947 622 2HD1 ILE 76 2HD1 ILE 76 4.405 6.694 -20.441 623 3HD1 ILE 76 3HD1 ILE 76 3.170 7.114 -21.691 624 H ASP 77 H ASP 77 8.602 10.476 -21.123 625 HA ASP 77 HA ASP 77 7.744 13.141 -20.206 626 1HB ASP 77 1HB ASP 77 8.967 11.574 -18.576 627 2HB ASP 77 2HB ASP 77 10.441 11.822 -19.574 628 H LYS 78 H LYS 78 8.446 14.987 -21.261 629 HA LYS 78 HA LYS 78 10.313 14.651 -23.535 630 1HB LYS 78 1HB LYS 78 7.644 14.936 -23.906 631 2HB LYS 78 2HB LYS 78 8.052 16.662 -23.738 632 1HG LYS 78 1HG LYS 78 8.196 16.396 -26.019 633 2HG LYS 78 2HG LYS 78 9.914 16.087 -25.603 634 1HD LYS 78 1HD LYS 78 7.712 13.958 -26.071 635 2HD LYS 78 2HD LYS 78 8.892 14.509 -27.309 636 1HE LYS 78 1HE LYS 78 10.794 13.583 -25.967 637 2HE LYS 78 2HE LYS 78 9.636 13.058 -24.679 638 1HZ LYS 78 1HZ LYS 78 10.274 11.300 -26.079 639 2HZ LYS 78 2HZ LYS 78 9.607 12.049 -27.467 640 3HZ LYS 78 3HZ LYS 78 8.607 11.578 -26.155 641 H GLU 79 H GLU 79 8.838 17.432 -21.682 642 HA GLU 79 HA GLU 79 11.376 18.905 -22.025 643 1HB GLU 79 1HB GLU 79 9.111 19.991 -22.525 644 2HB GLU 79 2HB GLU 79 8.716 19.844 -20.788 645 1HG GLU 79 1HG GLU 79 9.469 22.123 -21.238 646 2HG GLU 79 2HG GLU 79 10.756 21.319 -20.267 647 H GLY 80 H GLY 80 9.032 18.159 -19.278 648 1HA GLY 80 1HA GLY 80 10.925 16.903 -17.722 649 2HA GLY 80 2HA GLY 80 10.832 18.616 -17.170 650 H THR 81 H THR 81 8.407 16.039 -18.096 651 HA THR 81 HA THR 81 7.302 16.061 -15.419 652 HB THR 81 HB THR 81 4.873 16.239 -16.347 653 HG1 THR 81 HG1 THR 81 6.375 17.626 -18.312 654 1HG2 THR 81 1HG2 THR 81 5.916 17.886 -14.767 655 2HG2 THR 81 2HG2 THR 81 6.584 18.809 -16.163 656 3HG2 THR 81 3HG2 THR 81 4.802 18.670 -15.946 657 H GLY 82 H GLY 82 7.725 13.789 -15.186 658 1HA GLY 82 1HA GLY 82 6.905 11.998 -17.362 659 2HA GLY 82 2HA GLY 82 7.878 11.642 -15.900 660 H LYS 83 H LYS 83 4.873 11.407 -17.404 661 HA LYS 83 HA LYS 83 3.615 10.194 -15.071 662 1HB LYS 83 1HB LYS 83 1.534 11.328 -15.243 663 2HB LYS 83 2HB LYS 83 2.806 12.566 -15.091 664 1HG LYS 83 1HG LYS 83 1.316 11.791 -17.707 665 2HG LYS 83 2HG LYS 83 0.967 13.164 -16.620 666 1HD LYS 83 1HD LYS 83 2.142 14.363 -18.093 667 2HD LYS 83 2HD LYS 83 3.554 13.785 -17.146 668 1HE LYS 83 1HE LYS 83 3.847 11.911 -18.883 669 2HE LYS 83 2HE LYS 83 2.459 12.594 -19.811 670 1HZ LYS 83 1HZ LYS 83 4.696 13.234 -20.583 671 2HZ LYS 83 2HZ LYS 83 4.953 14.061 -19.123 672 3HZ LYS 83 3HZ LYS 83 3.719 14.574 -20.181 673 H MET 84 H MET 84 1.670 8.836 -15.623 674 HA MET 84 HA MET 84 1.270 8.294 -18.469 675 1HB MET 84 1HB MET 84 2.980 6.620 -17.809 676 2HB MET 84 2HB MET 84 1.962 6.119 -16.423 677 1HG MET 84 1HG MET 84 0.186 5.347 -18.027 678 2HG MET 84 2HG MET 84 1.224 5.812 -19.408 679 1HE MET 84 1HE MET 84 3.753 3.032 -19.779 680 2HE MET 84 2HE MET 84 3.909 4.785 -19.423 681 3HE MET 84 3HE MET 84 2.659 4.209 -20.583 682 H ASN 85 H ASN 85 -0.905 8.236 -18.892 683 HA ASN 85 HA ASN 85 -2.774 7.502 -16.725 684 1HB ASN 85 1HB ASN 85 -4.598 8.257 -18.412 685 2HB ASN 85 2HB ASN 85 -3.582 9.503 -17.631 686 1HD2 ASN 85 1HD2 ASN 85 -4.606 8.291 -20.751 687 2HD2 ASN 85 2HD2 ASN 85 -3.351 9.034 -21.708 688 H PHE 86 H PHE 86 -4.585 6.056 -17.323 689 HA PHE 86 HA PHE 86 -3.595 3.607 -18.305 690 1HB PHE 86 1HB PHE 86 -5.563 4.152 -16.663 691 2HB PHE 86 2HB PHE 86 -6.582 4.371 -18.123 692 HD1 PHE 86 HD1 PHE 86 -3.987 1.846 -16.943 693 HD2 PHE 86 HD2 PHE 86 -7.981 2.515 -18.374 694 HE1 PHE 86 HE1 PHE 86 -4.479 -0.555 -16.671 695 HE2 PHE 86 HE2 PHE 86 -8.468 0.105 -18.124 696 HZ PHE 86 HZ PHE 86 -6.726 -1.434 -17.250 697 H GLY 87 H GLY 87 -5.027 6.252 -20.198 698 1HA GLY 87 1HA GLY 87 -5.692 4.669 -22.527 699 2HA GLY 87 2HA GLY 87 -5.488 6.457 -22.409 700 H ASP 88 H ASP 88 -2.832 6.814 -21.652 701 HA ASP 88 HA ASP 88 -1.199 6.082 -23.803 702 1HB ASP 88 1HB ASP 88 -0.569 7.069 -20.968 703 2HB ASP 88 2HB ASP 88 0.736 6.687 -22.148 704 H PHE 89 H PHE 89 -1.390 4.479 -20.494 705 HA PHE 89 HA PHE 89 0.487 2.519 -20.913 706 1HB PHE 89 1HB PHE 89 -0.785 3.020 -18.719 707 2HB PHE 89 2HB PHE 89 -2.119 2.001 -19.356 708 HD1 PHE 89 HD1 PHE 89 -1.997 0.430 -17.581 709 HD2 PHE 89 HD2 PHE 89 1.595 1.164 -19.853 710 HE1 PHE 89 HE1 PHE 89 -0.875 -1.468 -16.471 711 HE2 PHE 89 HE2 PHE 89 2.670 -0.735 -18.764 712 HZ PHE 89 HZ PHE 89 1.454 -2.061 -17.059 713 H LEU 90 H LEU 90 -3.088 2.100 -21.697 714 HA LEU 90 HA LEU 90 -2.644 -0.520 -22.803 715 1HB LEU 90 1HB LEU 90 -5.011 1.394 -22.810 716 2HB LEU 90 2HB LEU 90 -5.007 -0.004 -23.930 717 HG LEU 90 HG LEU 90 -4.647 -1.578 -22.049 718 1HD1 LEU 90 1HD1 LEU 90 -3.714 -0.060 -20.285 719 2HD1 LEU 90 2HD1 LEU 90 -5.194 -0.913 -19.730 720 3HD1 LEU 90 3HD1 LEU 90 -5.292 0.813 -20.210 721 1HD2 LEU 90 1HD2 LEU 90 -7.020 -1.539 -21.295 722 2HD2 LEU 90 2HD2 LEU 90 -7.194 0.156 -21.886 723 3HD2 LEU 90 3HD2 LEU 90 -6.886 -1.182 -23.057 724 H THR 91 H THR 91 -2.903 2.766 -24.513 725 HA THR 91 HA THR 91 -2.751 1.651 -27.103 726 HB THR 91 HB THR 91 -1.868 3.819 -27.916 727 HG1 THR 91 HG1 THR 91 -0.755 4.567 -26.184 728 1HG2 THR 91 1HG2 THR 91 -4.311 3.312 -27.732 729 2HG2 THR 91 2HG2 THR 91 -3.979 5.047 -27.378 730 3HG2 THR 91 3HG2 THR 91 -4.332 3.903 -26.032 731 H VAL 92 H VAL 92 0.061 2.773 -25.002 732 HA VAL 92 HA VAL 92 1.951 2.051 -26.983 733 HB VAL 92 HB VAL 92 2.227 3.784 -25.201 734 1HG1 VAL 92 1HG1 VAL 92 1.670 2.213 -23.219 735 2HG1 VAL 92 2HG1 VAL 92 3.289 1.469 -23.476 736 3HG1 VAL 92 3HG1 VAL 92 3.163 3.207 -23.048 737 1HG2 VAL 92 1HG2 VAL 92 3.996 3.102 -26.800 738 2HG2 VAL 92 2HG2 VAL 92 4.694 3.492 -25.186 739 3HG2 VAL 92 3HG2 VAL 92 4.512 1.769 -25.692 740 H MET 93 H MET 93 0.964 0.114 -23.995 741 HA MET 93 HA MET 93 2.753 -2.026 -24.636 742 1HB MET 93 1HB MET 93 0.525 -1.687 -22.639 743 2HB MET 93 2HB MET 93 0.960 -3.363 -23.097 744 1HG MET 93 1HG MET 93 2.213 -2.765 -21.127 745 2HG MET 93 2HG MET 93 3.276 -3.068 -22.531 746 1HE MET 93 1HE MET 93 4.857 -2.011 -20.339 747 2HE MET 93 2HE MET 93 5.721 -0.672 -21.173 748 3HE MET 93 3HE MET 93 5.347 -2.180 -22.061 749 H THR 94 H THR 94 -0.886 -1.776 -25.402 750 HA THR 94 HA THR 94 -0.914 -4.330 -26.626 751 HB THR 94 HB THR 94 -3.005 -3.835 -27.697 752 HG1 THR 94 HG1 THR 94 -2.757 -1.230 -26.594 753 1HG2 THR 94 1HG2 THR 94 -2.906 -4.532 -25.289 754 2HG2 THR 94 2HG2 THR 94 -4.307 -3.452 -25.614 755 3HG2 THR 94 3HG2 THR 94 -2.849 -2.809 -24.772 756 H GLN 95 H GLN 95 -0.422 -1.068 -28.321 757 HA GLN 95 HA GLN 95 -0.055 -2.175 -30.885 758 1HB GLN 95 1HB GLN 95 -0.368 0.263 -30.301 759 2HB GLN 95 2HB GLN 95 1.314 0.296 -29.682 760 1HG GLN 95 1HG GLN 95 2.150 -0.263 -32.017 761 2HG GLN 95 2HG GLN 95 0.438 -0.292 -32.595 762 1HE2 GLN 95 1HE2 GLN 95 1.645 1.455 -34.026 763 2HE2 GLN 95 2HE2 GLN 95 1.527 3.095 -33.472 764 H LYS 96 H LYS 96 2.539 -1.701 -28.295 765 HA LYS 96 HA LYS 96 4.578 -2.710 -30.104 766 1HB LYS 96 1HB LYS 96 4.750 -2.022 -27.146 767 2HB LYS 96 2HB LYS 96 6.140 -2.521 -28.183 768 1HG LYS 96 1HG LYS 96 5.702 -0.603 -29.724 769 2HG LYS 96 2HG LYS 96 4.322 -0.079 -28.704 770 1HD LYS 96 1HD LYS 96 5.866 0.315 -26.791 771 2HD LYS 96 2HD LYS 96 7.267 -0.156 -27.821 772 1HE LYS 96 1HE LYS 96 6.786 1.747 -29.391 773 2HE LYS 96 2HE LYS 96 5.317 2.182 -28.432 774 1HZ LYS 96 1HZ LYS 96 6.772 2.635 -26.543 775 2HZ LYS 96 2HZ LYS 96 7.122 3.616 -27.849 776 3HZ LYS 96 3HZ LYS 96 8.139 2.300 -27.494 777 H MET 97 H MET 97 2.617 -4.403 -27.484 778 HA MET 97 HA MET 97 4.214 -6.809 -27.667 779 1HB MET 97 1HB MET 97 1.360 -6.326 -26.660 780 2HB MET 97 2HB MET 97 2.192 -7.919 -26.571 781 1HG MET 97 1HG MET 97 3.916 -7.040 -25.099 782 2HG MET 97 2HG MET 97 3.286 -5.371 -25.250 783 1HE MET 97 1HE MET 97 3.496 -5.358 -22.597 784 2HE MET 97 2HE MET 97 2.605 -6.469 -21.499 785 3HE MET 97 3HE MET 97 3.919 -7.104 -22.542 786 H SER 98 H SER 98 0.812 -6.135 -28.992 787 HA SER 98 HA SER 98 0.978 -8.514 -30.646 788 1HB SER 98 1HB SER 98 -1.166 -7.900 -29.527 789 2HB SER 98 2HB SER 98 -1.217 -6.379 -30.501 790 HG SER 98 HG SER 98 -1.132 -7.722 -32.347 Start of MODEL 11 1 1H MET 1 1H MET 1 -21.278 -9.452 -38.372 2 2H MET 1 2H MET 1 -19.652 -9.284 -38.861 3 3H MET 1 3H MET 1 -20.868 -8.310 -39.550 4 HA MET 1 HA MET 1 -20.276 -9.999 -41.073 5 1HB MET 1 1HB MET 1 -21.154 -12.005 -38.916 6 2HB MET 1 2HB MET 1 -20.723 -12.413 -40.608 7 1HG MET 1 1HG MET 1 -18.392 -11.493 -40.189 8 2HG MET 1 2HG MET 1 -18.846 -11.220 -38.479 9 1HE MET 1 1HE MET 1 -18.132 -15.311 -40.606 10 2HE MET 1 2HE MET 1 -19.438 -14.210 -41.140 11 3HE MET 1 3HE MET 1 -17.720 -13.684 -41.243 12 H ALA 2 H ALA 2 -21.946 -10.812 -42.620 13 HA ALA 2 HA ALA 2 -24.431 -9.459 -42.182 14 1HB ALA 2 1HB ALA 2 -24.997 -10.110 -44.509 15 2HB ALA 2 2HB ALA 2 -23.340 -9.417 -44.410 16 3HB ALA 2 3HB ALA 2 -23.561 -11.200 -44.552 17 H SER 3 H SER 3 -25.924 -10.436 -40.750 18 HA SER 3 HA SER 3 -26.107 -13.286 -40.595 19 1HB SER 3 1HB SER 3 -27.750 -12.862 -38.744 20 2HB SER 3 2HB SER 3 -26.164 -12.039 -38.537 21 HG SER 3 HG SER 3 -28.494 -10.856 -39.624 22 H ASN 4 H ASN 4 -26.943 -13.970 -42.650 23 HA ASN 4 HA ASN 4 -29.686 -13.174 -43.363 24 1HB ASN 4 1HB ASN 4 -27.660 -14.895 -44.911 25 2HB ASN 4 2HB ASN 4 -29.249 -14.319 -45.536 26 1HD2 ASN 4 1HD2 ASN 4 -25.998 -13.634 -45.745 27 2HD2 ASN 4 2HD2 ASN 4 -26.073 -11.929 -46.040 28 H PHE 5 H PHE 5 -27.986 -16.321 -42.521 29 HA PHE 5 HA PHE 5 -30.205 -17.896 -43.463 30 1HB PHE 5 1HB PHE 5 -27.801 -18.840 -41.776 31 2HB PHE 5 2HB PHE 5 -28.882 -19.865 -42.800 32 HD1 PHE 5 HD1 PHE 5 -28.938 -19.382 -45.325 33 HD2 PHE 5 HD2 PHE 5 -25.945 -17.702 -42.730 34 HE1 PHE 5 HE1 PHE 5 -27.531 -18.846 -47.287 35 HE2 PHE 5 HE2 PHE 5 -24.554 -17.149 -44.696 36 HZ PHE 5 HZ PHE 5 -25.342 -17.721 -46.978 37 H LYS 6 H LYS 6 -32.071 -17.319 -42.191 38 HA LYS 6 HA LYS 6 -33.532 -17.334 -40.533 39 1HB LYS 6 1HB LYS 6 -32.868 -19.659 -39.931 40 2HB LYS 6 2HB LYS 6 -31.683 -19.006 -38.758 41 1HG LYS 6 1HG LYS 6 -33.550 -17.858 -37.524 42 2HG LYS 6 2HG LYS 6 -34.739 -18.546 -38.673 43 1HD LYS 6 1HD LYS 6 -32.855 -20.129 -36.798 44 2HD LYS 6 2HD LYS 6 -34.578 -19.770 -36.465 45 1HE LYS 6 1HE LYS 6 -33.516 -21.544 -38.781 46 2HE LYS 6 2HE LYS 6 -34.292 -22.114 -37.252 47 1HZ LYS 6 1HZ LYS 6 -35.572 -20.425 -39.337 48 2HZ LYS 6 2HZ LYS 6 -35.824 -22.082 -39.079 49 3HZ LYS 6 3HZ LYS 6 -36.299 -20.959 -37.900 50 H LYS 7 H LYS 7 -30.587 -17.213 -38.380 51 HA LYS 7 HA LYS 7 -30.449 -14.375 -38.577 52 1HB LYS 7 1HB LYS 7 -32.261 -14.912 -36.684 53 2HB LYS 7 2HB LYS 7 -30.834 -15.219 -35.662 54 1HG LYS 7 1HG LYS 7 -31.645 -12.641 -37.162 55 2HG LYS 7 2HG LYS 7 -31.670 -12.916 -35.386 56 1HD LYS 7 1HD LYS 7 -29.145 -13.066 -35.404 57 2HD LYS 7 2HD LYS 7 -29.174 -12.754 -37.175 58 1HE LYS 7 1HE LYS 7 -30.328 -10.512 -36.711 59 2HE LYS 7 2HE LYS 7 -30.041 -10.803 -34.945 60 1HZ LYS 7 1HZ LYS 7 -28.296 -9.489 -35.818 61 2HZ LYS 7 2HZ LYS 7 -28.014 -10.554 -37.113 62 3HZ LYS 7 3HZ LYS 7 -27.648 -11.037 -35.518 63 H ALA 8 H ALA 8 -28.417 -15.593 -39.495 64 HA ALA 8 HA ALA 8 -26.750 -16.957 -37.572 65 1HB ALA 8 1HB ALA 8 -26.193 -16.259 -40.511 66 2HB ALA 8 2HB ALA 8 -25.214 -17.377 -39.483 67 3HB ALA 8 3HB ALA 8 -26.916 -17.792 -39.899 68 H ASN 9 H ASN 9 -26.167 -15.196 -36.041 69 HA ASN 9 HA ASN 9 -24.873 -12.823 -36.688 70 1HB ASN 9 1HB ASN 9 -24.327 -14.552 -34.206 71 2HB ASN 9 2HB ASN 9 -23.877 -12.817 -34.390 72 1HD2 ASN 9 1HD2 ASN 9 -26.212 -14.758 -32.994 73 2HD2 ASN 9 2HD2 ASN 9 -27.569 -13.685 -33.037 74 H MET 10 H MET 10 -23.136 -15.999 -36.084 75 HA MET 10 HA MET 10 -20.684 -14.841 -37.278 76 1HB MET 10 1HB MET 10 -21.182 -17.607 -36.035 77 2HB MET 10 2HB MET 10 -19.646 -17.091 -36.801 78 1HG MET 10 1HG MET 10 -20.967 -15.883 -34.297 79 2HG MET 10 2HG MET 10 -19.544 -16.962 -34.327 80 1HE MET 10 1HE MET 10 -16.677 -14.793 -35.846 81 2HE MET 10 2HE MET 10 -17.764 -15.853 -36.798 82 3HE MET 10 3HE MET 10 -17.195 -16.375 -35.174 83 H ALA 11 H ALA 11 -21.520 -14.576 -39.461 84 HA ALA 11 HA ALA 11 -23.209 -16.474 -40.655 85 1HB ALA 11 1HB ALA 11 -23.076 -15.116 -42.718 86 2HB ALA 11 2HB ALA 11 -21.628 -14.262 -42.065 87 3HB ALA 11 3HB ALA 11 -23.233 -14.067 -41.268 88 H SER 12 H SER 12 -22.965 -17.609 -42.814 89 HA SER 12 HA SER 12 -21.029 -19.547 -42.541 90 1HB SER 12 1HB SER 12 -22.645 -18.977 -45.084 91 2HB SER 12 2HB SER 12 -21.905 -20.556 -44.606 92 HG SER 12 HG SER 12 -24.117 -20.396 -44.092 93 H SER 13 H SER 13 -19.068 -20.170 -43.577 94 HA SER 13 HA SER 13 -17.523 -18.065 -44.723 95 1HB SER 13 1HB SER 13 -16.942 -21.071 -44.386 96 2HB SER 13 2HB SER 13 -15.697 -19.800 -44.647 97 HG SER 13 HG SER 13 -16.149 -18.941 -42.715 98 H SER 14 H SER 14 -19.255 -18.001 -46.700 99 HA SER 14 HA SER 14 -18.258 -19.519 -49.016 100 1HB SER 14 1HB SER 14 -20.053 -18.121 -50.250 101 2HB SER 14 2HB SER 14 -20.643 -19.295 -49.019 102 HG SER 14 HG SER 14 -21.634 -17.292 -48.804 103 H GLN 15 H GLN 15 -18.896 -15.962 -48.488 104 HA GLN 15 HA GLN 15 -16.689 -15.141 -50.162 105 1HB GLN 15 1HB GLN 15 -18.299 -13.511 -48.116 106 2HB GLN 15 2HB GLN 15 -17.175 -12.838 -49.350 107 1HG GLN 15 1HG GLN 15 -18.641 -13.762 -51.179 108 2HG GLN 15 2HG GLN 15 -19.782 -14.403 -49.940 109 1HE2 GLN 15 1HE2 GLN 15 -19.314 -11.768 -51.989 110 2HE2 GLN 15 2HE2 GLN 15 -20.183 -10.560 -51.104 111 H ARG 16 H ARG 16 -17.148 -14.803 -46.490 112 HA ARG 16 HA ARG 16 -14.265 -14.480 -46.165 113 1HB ARG 16 1HB ARG 16 -15.730 -13.164 -44.727 114 2HB ARG 16 2HB ARG 16 -16.510 -14.648 -44.097 115 1HG ARG 16 1HG ARG 16 -14.859 -13.522 -42.531 116 2HG ARG 16 2HG ARG 16 -14.603 -15.266 -42.810 117 1HD ARG 16 1HD ARG 16 -12.441 -14.020 -42.729 118 2HD ARG 16 2HD ARG 16 -12.695 -14.828 -44.330 119 HE ARG 16 HE ARG 16 -13.690 -12.082 -44.326 120 1HH1 ARG 16 1HH1 ARG 16 -10.673 -14.053 -44.516 121 2HH1 ARG 16 2HH1 ARG 16 -9.787 -12.851 -45.366 122 1HH2 ARG 16 1HH2 ARG 16 -12.444 -10.461 -45.516 123 2HH2 ARG 16 2HH2 ARG 16 -10.819 -10.772 -45.962 124 H LYS 17 H LYS 17 -13.728 -16.562 -47.244 125 HA LYS 17 HA LYS 17 -14.467 -19.024 -45.934 126 1HB LYS 17 1HB LYS 17 -14.313 -18.737 -48.390 127 2HB LYS 17 2HB LYS 17 -12.526 -18.674 -48.256 128 1HG LYS 17 1HG LYS 17 -12.449 -20.965 -47.383 129 2HG LYS 17 2HG LYS 17 -14.233 -21.010 -47.163 130 1HD LYS 17 1HD LYS 17 -12.849 -20.763 -49.904 131 2HD LYS 17 2HD LYS 17 -13.345 -22.316 -49.140 132 1HE LYS 17 1HE LYS 17 -15.747 -21.540 -49.081 133 2HE LYS 17 2HE LYS 17 -15.269 -20.008 -49.913 134 1HZ LYS 17 1HZ LYS 17 -14.954 -22.759 -50.995 135 2HZ LYS 17 2HZ LYS 17 -16.133 -21.618 -51.432 136 3HZ LYS 17 3HZ LYS 17 -14.498 -21.319 -51.773 137 H ARG 18 H ARG 18 -11.184 -17.390 -46.405 138 HA ARG 18 HA ARG 18 -10.091 -19.114 -44.264 139 1HB ARG 18 1HB ARG 18 -8.690 -18.739 -46.295 140 2HB ARG 18 2HB ARG 18 -8.665 -16.979 -45.940 141 1HG ARG 18 1HG ARG 18 -7.419 -17.405 -43.824 142 2HG ARG 18 2HG ARG 18 -7.656 -19.173 -44.014 143 1HD ARG 18 1HD ARG 18 -5.334 -18.536 -44.637 144 2HD ARG 18 2HD ARG 18 -6.238 -19.187 -46.074 145 HE ARG 18 HE ARG 18 -6.520 -16.309 -45.934 146 1HH1 ARG 18 1HH1 ARG 18 -4.088 -18.836 -46.693 147 2HH1 ARG 18 2HH1 ARG 18 -3.193 -17.863 -47.784 148 1HH2 ARG 18 1HH2 ARG 18 -5.272 -14.971 -47.444 149 2HH2 ARG 18 2HH2 ARG 18 -3.886 -15.611 -48.220 150 H MET 19 H MET 19 -10.263 -18.420 -42.143 151 HA MET 19 HA MET 19 -10.454 -15.540 -41.519 152 1HB MET 19 1HB MET 19 -12.772 -16.542 -41.833 153 2HB MET 19 2HB MET 19 -12.416 -17.681 -40.501 154 1HG MET 19 1HG MET 19 -12.186 -15.780 -38.911 155 2HG MET 19 2HG MET 19 -12.386 -14.607 -40.251 156 1HE MET 19 1HE MET 19 -15.612 -14.098 -38.124 157 2HE MET 19 2HE MET 19 -13.984 -14.556 -37.522 158 3HE MET 19 3HE MET 19 -14.146 -13.357 -38.855 159 H SER 20 H SER 20 -8.708 -15.232 -40.074 160 HA SER 20 HA SER 20 -8.504 -17.113 -37.788 161 1HB SER 20 1HB SER 20 -6.587 -17.474 -39.410 162 2HB SER 20 2HB SER 20 -6.106 -15.761 -39.158 163 HG SER 20 HG SER 20 -6.142 -17.925 -37.327 164 HA PRO 21 HA PRO 21 -9.134 -12.748 -36.246 165 1HB PRO 21 1HB PRO 21 -10.334 -14.309 -33.891 166 2HB PRO 21 2HB PRO 21 -10.967 -12.802 -34.667 167 1HG PRO 21 1HG PRO 21 -12.134 -15.209 -35.206 168 2HG PRO 21 2HG PRO 21 -11.787 -14.069 -36.575 169 1HD PRO 21 1HD PRO 21 -10.090 -16.476 -35.666 170 2HD PRO 21 2HD PRO 21 -10.644 -16.034 -37.344 171 H LYS 22 H LYS 22 -7.632 -11.557 -34.998 172 HA LYS 22 HA LYS 22 -6.000 -13.005 -32.987 173 1HB LYS 22 1HB LYS 22 -4.907 -11.233 -35.235 174 2HB LYS 22 2HB LYS 22 -3.958 -11.886 -33.851 175 1HG LYS 22 1HG LYS 22 -4.546 -14.228 -34.590 176 2HG LYS 22 2HG LYS 22 -5.372 -13.544 -36.031 177 1HD LYS 22 1HD LYS 22 -3.222 -12.501 -36.773 178 2HD LYS 22 2HD LYS 22 -2.397 -13.186 -35.323 179 1HE LYS 22 1HE LYS 22 -2.962 -15.526 -36.121 180 2HE LYS 22 2HE LYS 22 -3.744 -14.822 -37.593 181 1HZ LYS 22 1HZ LYS 22 -1.506 -15.540 -38.011 182 2HZ LYS 22 2HZ LYS 22 -0.890 -14.522 -36.801 183 3HZ LYS 22 3HZ LYS 22 -1.618 -13.853 -38.183 184 HA PRO 23 HA PRO 23 -7.289 -8.817 -31.352 185 1HB PRO 23 1HB PRO 23 -7.360 -10.411 -28.724 186 2HB PRO 23 2HB PRO 23 -8.536 -9.163 -29.298 187 1HG PRO 23 1HG PRO 23 -9.173 -11.816 -29.423 188 2HG PRO 23 2HG PRO 23 -9.541 -10.745 -30.841 189 1HD PRO 23 1HD PRO 23 -7.114 -12.609 -30.482 190 2HD PRO 23 2HD PRO 23 -8.236 -12.438 -31.910 191 H GLU 24 H GLU 24 -6.186 -7.207 -29.992 192 HA GLU 24 HA GLU 24 -3.442 -7.612 -29.341 193 1HB GLU 24 1HB GLU 24 -5.412 -5.486 -28.306 194 2HB GLU 24 2HB GLU 24 -3.620 -5.396 -28.163 195 1HG GLU 24 1HG GLU 24 -3.372 -5.175 -30.600 196 2HG GLU 24 2HG GLU 24 -5.128 -5.484 -30.860 197 H LEU 25 H LEU 25 -6.372 -7.403 -27.155 198 HA LEU 25 HA LEU 25 -4.653 -8.006 -24.806 199 1HB LEU 25 1HB LEU 25 -7.472 -6.798 -25.020 200 2HB LEU 25 2HB LEU 25 -6.573 -7.030 -23.482 201 HG LEU 25 HG LEU 25 -5.538 -5.278 -25.796 202 1HD1 LEU 25 1HD1 LEU 25 -7.791 -4.476 -25.132 203 2HD1 LEU 25 2HD1 LEU 25 -6.494 -3.315 -24.677 204 3HD1 LEU 25 3HD1 LEU 25 -7.254 -4.361 -23.413 205 1HD2 LEU 25 1HD2 LEU 25 -3.807 -5.929 -24.146 206 2HD2 LEU 25 2HD2 LEU 25 -4.190 -4.177 -23.996 207 3HD2 LEU 25 3HD2 LEU 25 -4.838 -5.345 -22.786 208 H THR 26 H THR 26 -4.668 -10.361 -25.042 209 HA THR 26 HA THR 26 -7.231 -11.702 -25.391 210 HB THR 26 HB THR 26 -5.708 -13.770 -25.484 211 HG1 THR 26 HG1 THR 26 -3.530 -13.273 -25.776 212 1HG2 THR 26 1HG2 THR 26 -4.931 -13.130 -27.780 213 2HG2 THR 26 2HG2 THR 26 -5.189 -11.387 -27.411 214 3HG2 THR 26 3HG2 THR 26 -6.594 -12.512 -27.484 215 H GLU 27 H GLU 27 -4.666 -12.981 -23.336 216 HA GLU 27 HA GLU 27 -6.405 -12.882 -20.923 217 1HB GLU 27 1HB GLU 27 -4.742 -15.303 -21.866 218 2HB GLU 27 2HB GLU 27 -5.577 -15.161 -20.277 219 1HG GLU 27 1HG GLU 27 -7.792 -14.999 -21.461 220 2HG GLU 27 2HG GLU 27 -6.956 -15.186 -23.049 221 H GLU 28 H GLU 28 -3.039 -13.855 -22.006 222 HA GLU 28 HA GLU 28 -1.624 -12.951 -19.794 223 1HB GLU 28 1HB GLU 28 -0.786 -14.427 -21.620 224 2HB GLU 28 2HB GLU 28 -0.745 -13.021 -22.735 225 1HG GLU 28 1HG GLU 28 1.047 -11.950 -21.354 226 2HG GLU 28 2HG GLU 28 0.907 -13.266 -20.125 227 H GLN 29 H GLN 29 -2.048 -10.940 -22.940 228 HA GLN 29 HA GLN 29 -0.762 -8.738 -21.659 229 1HB GLN 29 1HB GLN 29 -0.694 -9.078 -24.104 230 2HB GLN 29 2HB GLN 29 -2.404 -8.525 -24.220 231 1HG GLN 29 1HG GLN 29 -1.773 -6.276 -23.396 232 2HG GLN 29 2HG GLN 29 -0.165 -6.875 -22.867 233 1HE2 GLN 29 1HE2 GLN 29 -1.775 -7.498 -26.111 234 2HE2 GLN 29 2HE2 GLN 29 -0.559 -6.658 -27.017 235 H LYS 30 H LYS 30 -4.265 -9.490 -22.016 236 HA LYS 30 HA LYS 30 -5.387 -7.148 -20.928 237 1HB LYS 30 1HB LYS 30 -6.596 -9.062 -22.039 238 2HB LYS 30 2HB LYS 30 -6.288 -10.074 -20.596 239 1HG LYS 30 1HG LYS 30 -7.684 -8.530 -19.217 240 2HG LYS 30 2HG LYS 30 -7.909 -7.446 -20.639 241 1HD LYS 30 1HD LYS 30 -9.014 -9.300 -21.900 242 2HD LYS 30 2HD LYS 30 -8.821 -10.394 -20.495 243 1HE LYS 30 1HE LYS 30 -10.491 -7.776 -20.538 244 2HE LYS 30 2HE LYS 30 -11.150 -9.460 -20.640 245 1HZ LYS 30 1HZ LYS 30 -9.619 -8.306 -18.368 246 2HZ LYS 30 2HZ LYS 30 -10.216 -9.892 -18.464 247 3HZ LYS 30 3HZ LYS 30 -11.294 -8.580 -18.428 248 H GLN 31 H GLN 31 -4.327 -10.190 -19.124 249 HA GLN 31 HA GLN 31 -4.688 -9.203 -16.513 250 1HB GLN 31 1HB GLN 31 -4.381 -11.564 -16.985 251 2HB GLN 31 2HB GLN 31 -2.750 -11.291 -17.653 252 1HG GLN 31 1HG GLN 31 -3.292 -10.491 -14.732 253 2HG GLN 31 2HG GLN 31 -3.215 -12.237 -15.154 254 1HE2 GLN 31 1HE2 GLN 31 -1.240 -9.521 -14.329 255 2HE2 GLN 31 2HE2 GLN 31 0.282 -10.216 -14.766 256 H GLU 32 H GLU 32 -1.624 -8.937 -18.594 257 HA GLU 32 HA GLU 32 0.053 -7.764 -16.721 258 1HB GLU 32 1HB GLU 32 -0.283 -7.297 -19.719 259 2HB GLU 32 2HB GLU 32 1.048 -6.527 -18.805 260 1HG GLU 32 1HG GLU 32 2.018 -8.673 -18.177 261 2HG GLU 32 2HG GLU 32 0.633 -9.581 -18.872 262 H ILE 33 H ILE 33 -2.060 -5.802 -19.006 263 HA ILE 33 HA ILE 33 -1.352 -3.337 -17.756 264 HB ILE 33 HB ILE 33 -3.540 -4.106 -19.723 265 1HG1 ILE 33 1HG1 ILE 33 -2.158 -2.288 -21.058 266 2HG1 ILE 33 2HG1 ILE 33 -0.863 -2.586 -19.861 267 1HG2 ILE 33 1HG2 ILE 33 -3.058 -1.348 -18.435 268 2HG2 ILE 33 2HG2 ILE 33 -4.588 -2.303 -18.477 269 3HG2 ILE 33 3HG2 ILE 33 -3.935 -1.588 -19.982 270 1HD1 ILE 33 1HD1 ILE 33 -2.186 -4.730 -21.670 271 2HD1 ILE 33 2HD1 ILE 33 -0.751 -4.987 -20.605 272 3HD1 ILE 33 3HD1 ILE 33 -0.634 -3.896 -22.026 273 H ARG 34 H ARG 34 -4.408 -5.405 -17.228 274 HA ARG 34 HA ARG 34 -5.537 -3.609 -15.334 275 1HB ARG 34 1HB ARG 34 -6.872 -5.361 -16.363 276 2HB ARG 34 2HB ARG 34 -5.859 -6.648 -15.648 277 1HG ARG 34 1HG ARG 34 -7.282 -4.650 -13.816 278 2HG ARG 34 2HG ARG 34 -8.247 -5.912 -14.635 279 1HD ARG 34 1HD ARG 34 -7.652 -7.535 -13.182 280 2HD ARG 34 2HD ARG 34 -5.894 -7.202 -13.452 281 HE ARG 34 HE ARG 34 -7.254 -5.256 -11.660 282 1HH1 ARG 34 1HH1 ARG 34 -5.433 -8.355 -11.822 283 2HH1 ARG 34 2HH1 ARG 34 -4.912 -8.276 -10.186 284 1HH2 ARG 34 1HH2 ARG 34 -6.597 -5.181 -9.492 285 2HH2 ARG 34 2HH2 ARG 34 -5.574 -6.405 -8.800 286 H GLU 35 H GLU 35 -3.370 -6.566 -14.685 287 HA GLU 35 HA GLU 35 -3.383 -6.282 -11.905 288 1HB GLU 35 1HB GLU 35 -2.597 -8.265 -13.161 289 2HB GLU 35 2HB GLU 35 -1.134 -7.377 -13.680 290 1HG GLU 35 1HG GLU 35 -1.826 -7.843 -10.695 291 2HG GLU 35 2HG GLU 35 -1.003 -9.092 -11.697 292 H ALA 36 H ALA 36 -0.860 -4.767 -14.196 293 HA ALA 36 HA ALA 36 0.484 -3.583 -11.976 294 1HB ALA 36 1HB ALA 36 1.671 -3.951 -14.077 295 2HB ALA 36 2HB ALA 36 0.566 -2.818 -14.942 296 3HB ALA 36 3HB ALA 36 1.698 -2.198 -13.680 297 H PHE 37 H PHE 37 -1.865 -1.917 -14.343 298 HA PHE 37 HA PHE 37 -1.464 0.625 -13.116 299 1HB PHE 37 1HB PHE 37 -2.519 0.009 -15.456 300 2HB PHE 37 2HB PHE 37 -4.067 -0.178 -14.572 301 HD1 PHE 37 HD1 PHE 37 -4.932 1.888 -13.235 302 HD2 PHE 37 HD2 PHE 37 -1.657 2.110 -16.021 303 HE1 PHE 37 HE1 PHE 37 -5.191 4.341 -13.356 304 HE2 PHE 37 HE2 PHE 37 -1.970 4.544 -16.191 305 HZ PHE 37 HZ PHE 37 -3.701 5.667 -14.835 306 H ASP 38 H ASP 38 -4.138 -1.877 -12.526 307 HA ASP 38 HA ASP 38 -5.459 -0.385 -10.487 308 1HB ASP 38 1HB ASP 38 -6.249 -2.458 -11.813 309 2HB ASP 38 2HB ASP 38 -5.154 -3.436 -10.783 310 H LEU 39 H LEU 39 -2.473 -2.606 -10.235 311 HA LEU 39 HA LEU 39 -2.278 -2.721 -7.477 312 1HB LEU 39 1HB LEU 39 -0.773 -3.951 -9.020 313 2HB LEU 39 2HB LEU 39 0.020 -2.416 -9.479 314 HG LEU 39 HG LEU 39 0.884 -2.139 -7.168 315 1HD1 LEU 39 1HD1 LEU 39 0.747 -4.025 -5.515 316 2HD1 LEU 39 2HD1 LEU 39 -0.863 -3.289 -5.826 317 3HD1 LEU 39 3HD1 LEU 39 -0.433 -4.873 -6.582 318 1HD2 LEU 39 1HD2 LEU 39 1.508 -4.903 -8.393 319 2HD2 LEU 39 2HD2 LEU 39 2.228 -3.332 -8.897 320 3HD2 LEU 39 3HD2 LEU 39 2.556 -3.980 -7.247 321 H PHE 40 H PHE 40 -0.904 -0.130 -9.591 322 HA PHE 40 HA PHE 40 -0.105 1.438 -7.283 323 1HB PHE 40 1HB PHE 40 0.206 2.006 -10.270 324 2HB PHE 40 2HB PHE 40 0.826 3.083 -8.949 325 HD1 PHE 40 HD1 PHE 40 1.479 0.037 -10.852 326 HD2 PHE 40 HD2 PHE 40 2.327 2.050 -7.151 327 HE1 PHE 40 HE1 PHE 40 3.329 -1.538 -10.420 328 HE2 PHE 40 HE2 PHE 40 4.209 0.500 -6.744 329 HZ PHE 40 HZ PHE 40 4.696 -1.316 -8.366 330 H ASP 41 H ASP 41 -2.766 1.801 -9.754 331 HA ASP 41 HA ASP 41 -3.923 3.896 -8.004 332 1HB ASP 41 1HB ASP 41 -3.480 4.544 -10.433 333 2HB ASP 41 2HB ASP 41 -4.653 3.281 -10.927 334 H ALA 42 H ALA 42 -4.733 2.199 -6.478 335 HA ALA 42 HA ALA 42 -6.527 0.148 -7.489 336 1HB ALA 42 1HB ALA 42 -5.005 -0.317 -5.583 337 2HB ALA 42 2HB ALA 42 -6.726 -0.581 -5.131 338 3HB ALA 42 3HB ALA 42 -5.871 0.915 -4.589 339 H ASP 43 H ASP 43 -7.112 3.297 -5.779 340 HA ASP 43 HA ASP 43 -9.905 2.864 -5.320 341 1HB ASP 43 1HB ASP 43 -8.419 4.555 -4.120 342 2HB ASP 43 2HB ASP 43 -8.393 5.529 -5.631 343 H GLY 44 H GLY 44 -8.109 4.393 -8.133 344 1HA GLY 44 1HA GLY 44 -9.004 4.380 -10.299 345 2HA GLY 44 2HA GLY 44 -10.664 4.563 -9.632 346 H THR 45 H THR 45 -7.460 6.273 -9.771 347 HA THR 45 HA THR 45 -8.885 8.839 -9.375 348 HB THR 45 HB THR 45 -6.716 9.738 -8.597 349 HG1 THR 45 HG1 THR 45 -5.918 6.991 -8.733 350 1HG2 THR 45 1HG2 THR 45 -8.485 8.857 -7.036 351 2HG2 THR 45 2HG2 THR 45 -7.746 7.218 -7.111 352 3HG2 THR 45 3HG2 THR 45 -6.825 8.589 -6.389 353 H GLY 46 H GLY 46 -6.016 7.597 -11.368 354 1HA GLY 46 1HA GLY 46 -6.744 8.726 -13.735 355 2HA GLY 46 2HA GLY 46 -5.956 10.075 -12.841 356 H THR 47 H THR 47 -3.632 9.451 -11.915 357 HA THR 47 HA THR 47 -2.246 8.175 -14.184 358 HB THR 47 HB THR 47 -0.368 9.752 -13.891 359 HG1 THR 47 HG1 THR 47 -0.526 10.564 -11.936 360 1HG2 THR 47 1HG2 THR 47 -3.143 11.042 -14.401 361 2HG2 THR 47 2HG2 THR 47 -2.191 10.084 -15.596 362 3HG2 THR 47 3HG2 THR 47 -1.552 11.652 -14.982 363 H ILE 48 H ILE 48 -0.516 6.947 -13.974 364 HA ILE 48 HA ILE 48 0.597 6.333 -11.279 365 HB ILE 48 HB ILE 48 -0.368 4.277 -12.223 366 1HG1 ILE 48 1HG1 ILE 48 2.704 4.418 -12.502 367 2HG1 ILE 48 2HG1 ILE 48 1.734 3.964 -11.062 368 1HG2 ILE 48 1HG2 ILE 48 -0.420 5.114 -14.655 369 2HG2 ILE 48 2HG2 ILE 48 0.084 3.413 -14.435 370 3HG2 ILE 48 3HG2 ILE 48 1.319 4.668 -14.774 371 1HD1 ILE 48 1HD1 ILE 48 2.679 1.942 -12.094 372 2HD1 ILE 48 2HD1 ILE 48 0.899 1.922 -12.394 373 3HD1 ILE 48 3HD1 ILE 48 2.041 2.383 -13.712 374 H ASP 49 H ASP 49 2.673 7.197 -11.117 375 HA ASP 49 HA ASP 49 3.697 8.606 -13.516 376 1HB ASP 49 1HB ASP 49 4.048 9.059 -10.524 377 2HB ASP 49 2HB ASP 49 5.190 9.798 -11.704 378 H VAL 50 H VAL 50 6.244 8.864 -13.647 379 HA VAL 50 HA VAL 50 7.187 6.429 -14.447 380 HB VAL 50 HB VAL 50 9.555 7.507 -14.450 381 1HG1 VAL 50 1HG1 VAL 50 8.855 8.893 -16.419 382 2HG1 VAL 50 2HG1 VAL 50 7.128 8.662 -15.954 383 3HG1 VAL 50 3HG1 VAL 50 8.130 7.242 -16.418 384 1HG2 VAL 50 1HG2 VAL 50 9.038 9.212 -12.628 385 2HG2 VAL 50 2HG2 VAL 50 7.832 9.987 -13.726 386 3HG2 VAL 50 3HG2 VAL 50 9.564 9.960 -14.178 387 H LYS 51 H LYS 51 7.981 7.652 -11.075 388 HA LYS 51 HA LYS 51 9.804 5.569 -10.496 389 1HB LYS 51 1HB LYS 51 9.380 5.963 -8.101 390 2HB LYS 51 2HB LYS 51 9.741 7.439 -9.052 391 1HG LYS 51 1HG LYS 51 7.169 7.815 -9.186 392 2HG LYS 51 2HG LYS 51 7.048 6.562 -7.902 393 1HD LYS 51 1HD LYS 51 8.648 7.980 -6.492 394 2HD LYS 51 2HD LYS 51 8.525 9.260 -7.745 395 1HE LYS 51 1HE LYS 51 6.244 8.124 -5.977 396 2HE LYS 51 2HE LYS 51 6.966 9.782 -5.904 397 1HZ LYS 51 1HZ LYS 51 4.905 9.860 -7.036 398 2HZ LYS 51 2HZ LYS 51 6.103 10.080 -8.219 399 3HZ LYS 51 3HZ LYS 51 5.310 8.572 -8.062 400 H GLU 52 H GLU 52 6.269 5.587 -9.708 401 HA GLU 52 HA GLU 52 5.914 2.907 -9.051 402 1HB GLU 52 1HB GLU 52 3.924 4.640 -10.595 403 2HB GLU 52 2HB GLU 52 3.557 3.186 -9.622 404 1HG GLU 52 1HG GLU 52 3.092 4.571 -7.895 405 2HG GLU 52 2HG GLU 52 4.861 4.861 -7.744 406 H LEU 53 H LEU 53 5.621 4.376 -12.436 407 HA LEU 53 HA LEU 53 5.041 1.969 -13.745 408 1HB LEU 53 1HB LEU 53 4.888 4.361 -14.642 409 2HB LEU 53 2HB LEU 53 6.658 4.293 -14.906 410 HG LEU 53 HG LEU 53 6.282 2.302 -16.458 411 1HD1 LEU 53 1HD1 LEU 53 4.098 1.456 -15.633 412 2HD1 LEU 53 2HD1 LEU 53 3.963 1.921 -17.361 413 3HD1 LEU 53 3HD1 LEU 53 3.293 3.005 -16.088 414 1HD2 LEU 53 1HD2 LEU 53 5.427 3.665 -18.355 415 2HD2 LEU 53 2HD2 LEU 53 6.594 4.593 -17.340 416 3HD2 LEU 53 3HD2 LEU 53 4.823 4.912 -17.202 417 H LYS 54 H LYS 54 8.381 3.249 -12.965 418 HA LYS 54 HA LYS 54 9.844 1.259 -14.341 419 1HB LYS 54 1HB LYS 54 10.511 2.915 -11.875 420 2HB LYS 54 2HB LYS 54 11.690 1.773 -12.613 421 1HG LYS 54 1HG LYS 54 11.771 2.987 -14.692 422 2HG LYS 54 2HG LYS 54 10.319 3.948 -14.281 423 1HD LYS 54 1HD LYS 54 11.564 5.021 -12.384 424 2HD LYS 54 2HD LYS 54 13.066 4.175 -12.916 425 1HE LYS 54 1HE LYS 54 12.948 5.356 -15.138 426 2HE LYS 54 2HE LYS 54 11.386 6.129 -14.651 427 1HZ LYS 54 1HZ LYS 54 13.231 7.608 -14.390 428 2HZ LYS 54 2HZ LYS 54 12.550 7.254 -12.879 429 3HZ LYS 54 3HZ LYS 54 14.022 6.541 -13.337 430 H VAL 55 H VAL 55 8.840 1.178 -10.779 431 HA VAL 55 HA VAL 55 9.665 -1.552 -10.492 432 HB VAL 55 HB VAL 55 8.300 -1.658 -8.437 433 1HG1 VAL 55 1HG1 VAL 55 10.190 0.776 -8.770 434 2HG1 VAL 55 2HG1 VAL 55 10.703 -0.935 -8.513 435 3HG1 VAL 55 3HG1 VAL 55 9.785 -0.065 -7.230 436 1HG2 VAL 55 1HG2 VAL 55 7.674 1.305 -9.103 437 2HG2 VAL 55 2HG2 VAL 55 6.480 -0.039 -9.150 438 3HG2 VAL 55 3HG2 VAL 55 7.248 0.429 -7.594 439 H ALA 56 H ALA 56 6.544 -0.192 -11.666 440 HA ALA 56 HA ALA 56 5.090 -2.583 -11.836 441 1HB ALA 56 1HB ALA 56 4.096 -0.312 -12.312 442 2HB ALA 56 2HB ALA 56 3.741 -1.517 -13.602 443 3HB ALA 56 3HB ALA 56 5.009 -0.271 -13.861 444 H MET 57 H MET 57 7.334 -1.189 -14.396 445 HA MET 57 HA MET 57 7.154 -3.415 -16.156 446 1HB MET 57 1HB MET 57 9.056 -1.103 -15.771 447 2HB MET 57 2HB MET 57 9.557 -2.461 -16.826 448 1HG MET 57 1HG MET 57 8.509 -0.576 -18.062 449 2HG MET 57 2HG MET 57 7.773 -2.182 -18.342 450 1HE MET 57 1HE MET 57 5.064 0.532 -19.053 451 2HE MET 57 2HE MET 57 6.083 -0.800 -19.707 452 3HE MET 57 3HE MET 57 6.846 0.730 -19.161 453 H ARG 58 H ARG 58 9.349 -3.038 -13.234 454 HA ARG 58 HA ARG 58 10.921 -5.351 -13.757 455 1HB ARG 58 1HB ARG 58 9.944 -4.325 -11.032 456 2HB ARG 58 2HB ARG 58 11.250 -5.534 -11.285 457 1HG ARG 58 1HG ARG 58 12.623 -3.838 -12.478 458 2HG ARG 58 2HG ARG 58 11.306 -2.629 -12.287 459 1HD ARG 58 1HD ARG 58 11.500 -2.863 -9.754 460 2HD ARG 58 2HD ARG 58 12.948 -3.936 -10.010 461 HE ARG 58 HE ARG 58 13.340 -1.550 -11.528 462 1HH1 ARG 58 1HH1 ARG 58 13.067 -2.532 -8.090 463 2HH1 ARG 58 2HH1 ARG 58 14.035 -1.251 -7.484 464 1HH2 ARG 58 1HH2 ARG 58 14.690 0.203 -10.692 465 2HH2 ARG 58 2HH2 ARG 58 14.982 0.345 -9.007 466 H ALA 59 H ALA 59 7.692 -5.177 -11.899 467 HA ALA 59 HA ALA 59 7.443 -8.028 -11.716 468 1HB ALA 59 1HB ALA 59 5.257 -5.866 -11.653 469 2HB ALA 59 2HB ALA 59 6.168 -6.486 -10.229 470 3HB ALA 59 3HB ALA 59 5.059 -7.582 -11.129 471 H LEU 60 H LEU 60 6.000 -5.711 -14.190 472 HA LEU 60 HA LEU 60 4.436 -7.759 -15.448 473 1HB LEU 60 1HB LEU 60 3.901 -5.327 -15.183 474 2HB LEU 60 2HB LEU 60 5.179 -4.907 -16.356 475 HG LEU 60 HG LEU 60 2.757 -6.677 -17.053 476 1HD1 LEU 60 1HD1 LEU 60 2.997 -3.605 -17.175 477 2HD1 LEU 60 2HD1 LEU 60 1.908 -4.575 -16.111 478 3HD1 LEU 60 3HD1 LEU 60 1.652 -4.569 -17.888 479 1HD2 LEU 60 1HD2 LEU 60 4.623 -4.962 -18.830 480 2HD2 LEU 60 2HD2 LEU 60 4.441 -6.754 -18.876 481 3HD2 LEU 60 3HD2 LEU 60 3.090 -5.727 -19.388 482 H GLY 61 H GLY 61 7.563 -6.129 -16.490 483 1HA GLY 61 1HA GLY 61 7.452 -6.492 -19.140 484 2HA GLY 61 2HA GLY 61 8.952 -6.593 -18.164 485 H PHE 62 H PHE 62 9.151 -8.979 -17.124 486 HA PHE 62 HA PHE 62 9.588 -11.126 -17.403 487 1HB PHE 62 1HB PHE 62 7.433 -11.339 -19.583 488 2HB PHE 62 2HB PHE 62 8.179 -12.704 -18.673 489 HD1 PHE 62 HD1 PHE 62 5.202 -11.308 -19.009 490 HD2 PHE 62 HD2 PHE 62 8.084 -11.827 -15.847 491 HE1 PHE 62 HE1 PHE 62 3.395 -11.201 -17.341 492 HE2 PHE 62 HE2 PHE 62 6.269 -11.704 -14.187 493 HZ PHE 62 HZ PHE 62 3.922 -11.391 -14.920 494 H GLU 63 H GLU 63 11.432 -12.084 -18.378 495 HA GLU 63 HA GLU 63 12.558 -10.638 -20.470 496 1HB GLU 63 1HB GLU 63 13.428 -13.456 -19.649 497 2HB GLU 63 2HB GLU 63 14.414 -12.187 -20.443 498 1HG GLU 63 1HG GLU 63 15.166 -11.869 -18.332 499 2HG GLU 63 2HG GLU 63 13.768 -10.745 -18.240 500 HA PRO 64 HA PRO 64 11.494 -14.179 -23.818 501 1HB PRO 64 1HB PRO 64 8.639 -13.061 -23.611 502 2HB PRO 64 2HB PRO 64 9.161 -14.563 -24.486 503 1HG PRO 64 1HG PRO 64 8.199 -14.799 -21.954 504 2HG PRO 64 2HG PRO 64 9.732 -15.667 -22.385 505 1HD PRO 64 1HD PRO 64 9.387 -13.068 -20.835 506 2HD PRO 64 2HD PRO 64 10.580 -14.415 -20.535 507 H LYS 65 H LYS 65 10.292 -10.775 -23.569 508 HA LYS 65 HA LYS 65 11.063 -10.335 -26.370 509 1HB LYS 65 1HB LYS 65 9.874 -8.141 -26.267 510 2HB LYS 65 2HB LYS 65 8.891 -9.628 -26.175 511 1HG LYS 65 1HG LYS 65 7.916 -8.069 -24.730 512 2HG LYS 65 2HG LYS 65 8.615 -9.347 -23.698 513 1HD LYS 65 1HD LYS 65 10.385 -6.924 -24.160 514 2HD LYS 65 2HD LYS 65 8.811 -6.609 -23.350 515 1HE LYS 65 1HE LYS 65 9.263 -8.320 -21.641 516 2HE LYS 65 2HE LYS 65 10.882 -8.670 -22.335 517 1HZ LYS 65 1HZ LYS 65 10.960 -7.181 -20.455 518 2HZ LYS 65 2HZ LYS 65 11.512 -6.394 -21.858 519 3HZ LYS 65 3HZ LYS 65 9.973 -6.040 -21.250 520 H LYS 66 H LYS 66 12.290 -8.388 -27.046 521 HA LYS 66 HA LYS 66 14.654 -8.290 -25.465 522 1HB LYS 66 1HB LYS 66 14.662 -8.352 -27.969 523 2HB LYS 66 2HB LYS 66 14.013 -6.684 -28.001 524 1HG LYS 66 1HG LYS 66 16.426 -6.695 -28.435 525 2HG LYS 66 2HG LYS 66 16.108 -5.852 -26.883 526 1HD LYS 66 1HD LYS 66 16.794 -7.894 -25.619 527 2HD LYS 66 2HD LYS 66 17.042 -8.777 -27.170 528 1HE LYS 66 1HE LYS 66 18.885 -7.174 -27.787 529 2HE LYS 66 2HE LYS 66 18.610 -6.265 -26.245 530 1HZ LYS 66 1HZ LYS 66 19.439 -9.115 -26.475 531 2HZ LYS 66 2HZ LYS 66 20.433 -7.800 -26.074 532 3HZ LYS 66 3HZ LYS 66 19.177 -8.262 -25.030 533 H GLU 67 H GLU 67 12.769 -5.284 -26.644 534 HA GLU 67 HA GLU 67 13.407 -3.998 -24.106 535 1HB GLU 67 1HB GLU 67 15.454 -3.789 -25.532 536 2HB GLU 67 2HB GLU 67 14.522 -2.839 -26.723 537 1HG GLU 67 1HG GLU 67 14.723 -2.013 -23.744 538 2HG GLU 67 2HG GLU 67 16.056 -1.653 -24.900 539 H GLU 68 H GLU 68 11.675 -2.938 -23.438 540 HA GLU 68 HA GLU 68 10.233 -1.110 -25.253 541 1HB GLU 68 1HB GLU 68 8.359 -1.726 -23.211 542 2HB GLU 68 2HB GLU 68 8.359 -2.296 -24.898 543 1HG GLU 68 1HG GLU 68 7.959 -4.153 -23.473 544 2HG GLU 68 2HG GLU 68 9.527 -4.385 -24.297 545 H ILE 69 H ILE 69 11.263 -1.730 -21.753 546 HA ILE 69 HA ILE 69 10.153 0.660 -20.773 547 HB ILE 69 HB ILE 69 11.157 0.204 -18.714 548 1HG1 ILE 69 1HG1 ILE 69 13.044 -1.740 -18.730 549 2HG1 ILE 69 2HG1 ILE 69 13.497 -0.988 -20.283 550 1HG2 ILE 69 1HG2 ILE 69 11.142 -2.545 -20.110 551 2HG2 ILE 69 2HG2 ILE 69 9.634 -1.617 -19.764 552 3HG2 ILE 69 3HG2 ILE 69 10.731 -2.162 -18.432 553 1HD1 ILE 69 1HD1 ILE 69 14.813 -0.093 -18.331 554 2HD1 ILE 69 2HD1 ILE 69 13.820 1.228 -19.038 555 3HD1 ILE 69 3HD1 ILE 69 13.288 0.418 -17.519 556 H LYS 70 H LYS 70 13.415 0.352 -22.368 557 HA LYS 70 HA LYS 70 14.337 2.932 -21.469 558 1HB LYS 70 1HB LYS 70 15.942 1.186 -22.361 559 2HB LYS 70 2HB LYS 70 15.266 1.490 -23.997 560 1HG LYS 70 1HG LYS 70 15.888 3.946 -23.730 561 2HG LYS 70 2HG LYS 70 16.688 3.530 -22.174 562 1HD LYS 70 1HD LYS 70 18.242 1.991 -23.406 563 2HD LYS 70 2HD LYS 70 17.422 2.391 -24.953 564 1HE LYS 70 1HE LYS 70 18.971 4.377 -23.137 565 2HE LYS 70 2HE LYS 70 19.543 3.693 -24.711 566 1HZ LYS 70 1HZ LYS 70 18.674 5.893 -24.969 567 2HZ LYS 70 2HZ LYS 70 17.675 4.791 -25.786 568 3HZ LYS 70 3HZ LYS 70 17.176 5.456 -24.307 569 H LYS 71 H LYS 71 12.616 1.745 -24.456 570 HA LYS 71 HA LYS 71 12.183 4.257 -25.697 571 1HB LYS 71 1HB LYS 71 10.253 1.866 -25.673 572 2HB LYS 71 2HB LYS 71 10.205 3.252 -26.814 573 1HG LYS 71 1HG LYS 71 12.431 2.583 -27.731 574 2HG LYS 71 2HG LYS 71 12.497 1.221 -26.560 575 1HD LYS 71 1HD LYS 71 10.390 0.265 -27.568 576 2HD LYS 71 2HD LYS 71 10.377 1.610 -28.757 577 1HE LYS 71 1HE LYS 71 11.295 -0.390 -29.837 578 2HE LYS 71 2HE LYS 71 12.632 0.815 -29.641 579 1HZ LYS 71 1HZ LYS 71 12.109 -1.511 -27.836 580 2HZ LYS 71 2HZ LYS 71 13.280 -1.429 -29.062 581 3HZ LYS 71 3HZ LYS 71 13.395 -0.417 -27.702 582 H MET 72 H MET 72 10.106 2.565 -23.173 583 HA MET 72 HA MET 72 8.019 4.410 -23.167 584 1HB MET 72 1HB MET 72 8.322 2.054 -21.990 585 2HB MET 72 2HB MET 72 8.971 2.977 -20.614 586 1HG MET 72 1HG MET 72 6.604 2.569 -20.228 587 2HG MET 72 2HG MET 72 6.820 4.312 -20.542 588 1HE MET 72 1HE MET 72 5.582 0.817 -21.855 589 2HE MET 72 2HE MET 72 4.979 1.160 -23.510 590 3HE MET 72 3HE MET 72 6.739 1.184 -23.183 591 H ILE 73 H ILE 73 10.896 4.462 -20.804 592 HA ILE 73 HA ILE 73 10.126 6.949 -19.645 593 HB ILE 73 HB ILE 73 12.921 5.763 -19.758 594 1HG1 ILE 73 1HG1 ILE 73 11.393 4.089 -18.817 595 2HG1 ILE 73 2HG1 ILE 73 12.405 4.802 -17.536 596 1HG2 ILE 73 1HG2 ILE 73 11.615 7.889 -17.920 597 2HG2 ILE 73 2HG2 ILE 73 12.968 8.145 -19.080 598 3HG2 ILE 73 3HG2 ILE 73 13.220 7.118 -17.630 599 1HD1 ILE 73 1HD1 ILE 73 10.443 6.254 -16.820 600 2HD1 ILE 73 2HD1 ILE 73 9.428 5.461 -18.080 601 3HD1 ILE 73 3HD1 ILE 73 10.094 4.490 -16.724 602 H SER 74 H SER 74 12.406 6.323 -22.432 603 HA SER 74 HA SER 74 13.159 8.996 -22.855 604 1HB SER 74 1HB SER 74 12.843 6.822 -25.005 605 2HB SER 74 2HB SER 74 13.824 8.336 -25.140 606 HG SER 74 HG SER 74 14.210 6.045 -23.551 607 H GLU 75 H GLU 75 10.206 7.338 -24.128 608 HA GLU 75 HA GLU 75 9.468 9.463 -25.930 609 1HB GLU 75 1HB GLU 75 9.108 7.010 -26.242 610 2HB GLU 75 2HB GLU 75 7.988 6.988 -24.845 611 1HG GLU 75 1HG GLU 75 6.330 8.334 -26.112 612 2HG GLU 75 2HG GLU 75 7.495 8.536 -27.483 613 H ILE 76 H ILE 76 8.310 8.298 -22.689 614 HA ILE 76 HA ILE 76 6.207 10.224 -22.597 615 HB ILE 76 HB ILE 76 5.297 9.332 -20.722 616 1HG1 ILE 76 1HG1 ILE 76 7.955 7.898 -20.172 617 2HG1 ILE 76 2HG1 ILE 76 7.130 9.124 -19.193 618 1HG2 ILE 76 1HG2 ILE 76 6.385 7.006 -22.440 619 2HG2 ILE 76 2HG2 ILE 76 5.060 8.130 -22.896 620 3HG2 ILE 76 3HG2 ILE 76 4.866 7.045 -21.482 621 1HD1 ILE 76 1HD1 ILE 76 6.087 6.268 -19.696 622 2HD1 ILE 76 2HD1 ILE 76 6.804 6.910 -18.180 623 3HD1 ILE 76 3HD1 ILE 76 5.223 7.549 -18.761 624 H ASP 77 H ASP 77 9.489 10.479 -21.427 625 HA ASP 77 HA ASP 77 8.702 12.324 -19.249 626 1HB ASP 77 1HB ASP 77 10.143 10.160 -18.916 627 2HB ASP 77 2HB ASP 77 11.486 11.080 -19.661 628 H LYS 78 H LYS 78 8.466 14.361 -20.357 629 HA LYS 78 HA LYS 78 10.841 15.423 -21.788 630 1HB LYS 78 1HB LYS 78 7.979 15.238 -22.863 631 2HB LYS 78 2HB LYS 78 9.202 16.347 -23.570 632 1HG LYS 78 1HG LYS 78 10.640 14.545 -24.252 633 2HG LYS 78 2HG LYS 78 9.695 13.324 -23.334 634 1HD LYS 78 1HD LYS 78 7.758 13.594 -24.750 635 2HD LYS 78 2HD LYS 78 8.536 14.919 -25.692 636 1HE LYS 78 1HE LYS 78 10.140 13.416 -26.719 637 2HE LYS 78 2HE LYS 78 9.835 12.124 -25.488 638 1HZ LYS 78 1HZ LYS 78 7.715 11.749 -26.343 639 2HZ LYS 78 2HZ LYS 78 7.797 13.053 -27.439 640 3HZ LYS 78 3HZ LYS 78 8.808 11.701 -27.645 641 H GLU 79 H GLU 79 7.486 16.457 -20.685 642 HA GLU 79 HA GLU 79 8.345 19.236 -20.861 643 1HB GLU 79 1HB GLU 79 5.602 18.156 -19.991 644 2HB GLU 79 2HB GLU 79 6.004 19.819 -20.539 645 1HG GLU 79 1HG GLU 79 6.034 17.235 -22.250 646 2HG GLU 79 2HG GLU 79 4.817 18.558 -22.303 647 H GLY 80 H GLY 80 6.720 17.249 -18.264 648 1HA GLY 80 1HA GLY 80 8.436 18.567 -16.264 649 2HA GLY 80 2HA GLY 80 6.665 18.410 -16.015 650 H THR 81 H THR 81 8.969 15.979 -17.372 651 HA THR 81 HA THR 81 9.361 13.907 -16.962 652 HB THR 81 HB THR 81 9.600 12.825 -14.833 653 HG1 THR 81 HG1 THR 81 8.180 15.080 -13.929 654 1HG2 THR 81 1HG2 THR 81 11.278 14.374 -13.860 655 2HG2 THR 81 2HG2 THR 81 11.365 14.421 -15.657 656 3HG2 THR 81 3HG2 THR 81 10.575 15.769 -14.758 657 H GLY 82 H GLY 82 8.362 11.718 -16.757 658 1HA GLY 82 1HA GLY 82 5.842 11.918 -17.995 659 2HA GLY 82 2HA GLY 82 6.748 10.442 -17.559 660 H LYS 83 H LYS 83 3.886 11.923 -17.344 661 HA LYS 83 HA LYS 83 3.025 10.247 -15.066 662 1HB LYS 83 1HB LYS 83 0.825 11.558 -15.098 663 2HB LYS 83 2HB LYS 83 2.187 12.185 -14.176 664 1HG LYS 83 1HG LYS 83 1.416 13.166 -17.011 665 2HG LYS 83 2HG LYS 83 0.793 13.864 -15.481 666 1HD LYS 83 1HD LYS 83 3.679 13.947 -16.501 667 2HD LYS 83 2HD LYS 83 2.535 15.305 -16.278 668 1HE LYS 83 1HE LYS 83 2.614 14.984 -13.776 669 2HE LYS 83 2HE LYS 83 3.736 13.578 -13.986 670 1HZ LYS 83 1HZ LYS 83 4.944 15.518 -13.463 671 2HZ LYS 83 2HZ LYS 83 5.306 15.029 -15.044 672 3HZ LYS 83 3HZ LYS 83 4.301 16.378 -14.778 673 H MET 84 H MET 84 1.808 8.565 -15.622 674 HA MET 84 HA MET 84 0.863 8.359 -18.417 675 1HB MET 84 1HB MET 84 2.664 6.792 -17.718 676 2HB MET 84 2HB MET 84 1.595 6.136 -16.443 677 1HG MET 84 1HG MET 84 0.034 5.240 -18.064 678 2HG MET 84 2HG MET 84 0.819 6.134 -19.401 679 1HE MET 84 1HE MET 84 3.643 5.931 -19.529 680 2HE MET 84 2HE MET 84 3.944 4.375 -20.365 681 3HE MET 84 3HE MET 84 2.557 5.403 -20.859 682 H ASN 85 H ASN 85 -1.381 8.331 -18.759 683 HA ASN 85 HA ASN 85 -3.059 7.467 -16.474 684 1HB ASN 85 1HB ASN 85 -4.871 8.590 -17.149 685 2HB ASN 85 2HB ASN 85 -3.617 9.692 -17.780 686 1HD2 ASN 85 1HD2 ASN 85 -3.069 9.287 -20.287 687 2HD2 ASN 85 2HD2 ASN 85 -4.475 9.044 -21.264 688 H PHE 86 H PHE 86 -5.110 6.033 -17.294 689 HA PHE 86 HA PHE 86 -3.932 3.599 -18.175 690 1HB PHE 86 1HB PHE 86 -5.977 3.831 -16.673 691 2HB PHE 86 2HB PHE 86 -6.934 4.340 -18.105 692 HD1 PHE 86 HD1 PHE 86 -7.595 2.666 -19.798 693 HD2 PHE 86 HD2 PHE 86 -5.206 1.536 -16.418 694 HE1 PHE 86 HE1 PHE 86 -8.063 0.284 -20.263 695 HE2 PHE 86 HE2 PHE 86 -5.681 -0.846 -16.869 696 HZ PHE 86 HZ PHE 86 -7.109 -1.479 -18.799 697 H GLY 87 H GLY 87 -5.873 6.044 -20.126 698 1HA GLY 87 1HA GLY 87 -6.036 4.524 -22.515 699 2HA GLY 87 2HA GLY 87 -5.998 6.316 -22.346 700 H ASP 88 H ASP 88 -3.350 6.728 -21.347 701 HA ASP 88 HA ASP 88 -1.586 6.383 -23.523 702 1HB ASP 88 1HB ASP 88 -0.796 6.638 -20.556 703 2HB ASP 88 2HB ASP 88 0.291 6.902 -21.967 704 H PHE 89 H PHE 89 -1.659 4.528 -20.335 705 HA PHE 89 HA PHE 89 0.302 2.697 -20.917 706 1HB PHE 89 1HB PHE 89 -0.916 3.115 -18.683 707 2HB PHE 89 2HB PHE 89 -2.218 2.032 -19.275 708 HD1 PHE 89 HD1 PHE 89 1.559 1.490 -19.752 709 HD2 PHE 89 HD2 PHE 89 -2.019 0.404 -17.620 710 HE1 PHE 89 HE1 PHE 89 2.779 -0.292 -18.608 711 HE2 PHE 89 HE2 PHE 89 -0.778 -1.408 -16.487 712 HZ PHE 89 HZ PHE 89 1.629 -1.752 -16.971 713 H LEU 90 H LEU 90 -3.223 2.193 -21.622 714 HA LEU 90 HA LEU 90 -2.966 -0.404 -22.657 715 1HB LEU 90 1HB LEU 90 -5.083 0.985 -21.933 716 2HB LEU 90 2HB LEU 90 -5.072 1.615 -23.603 717 HG LEU 90 HG LEU 90 -5.146 -0.869 -24.376 718 1HD1 LEU 90 1HD1 LEU 90 -5.759 -1.276 -21.372 719 2HD1 LEU 90 2HD1 LEU 90 -6.079 -2.497 -22.647 720 3HD1 LEU 90 3HD1 LEU 90 -4.390 -1.996 -22.303 721 1HD2 LEU 90 1HD2 LEU 90 -7.133 0.626 -24.442 722 2HD2 LEU 90 2HD2 LEU 90 -7.603 -1.057 -24.003 723 3HD2 LEU 90 3HD2 LEU 90 -7.521 0.217 -22.728 724 H THR 91 H THR 91 -3.172 2.751 -24.611 725 HA THR 91 HA THR 91 -2.687 1.478 -27.087 726 HB THR 91 HB THR 91 -2.160 3.712 -28.010 727 HG1 THR 91 HG1 THR 91 -1.209 4.692 -26.260 728 1HG2 THR 91 1HG2 THR 91 -4.442 4.616 -27.601 729 2HG2 THR 91 2HG2 THR 91 -4.512 2.825 -27.772 730 3HG2 THR 91 3HG2 THR 91 -4.635 3.585 -26.140 731 H VAL 92 H VAL 92 -0.227 3.145 -24.908 732 HA VAL 92 HA VAL 92 1.876 2.731 -26.771 733 HB VAL 92 HB VAL 92 1.654 4.519 -24.992 734 1HG1 VAL 92 1HG1 VAL 92 2.582 4.138 -22.780 735 2HG1 VAL 92 2HG1 VAL 92 3.059 2.452 -23.180 736 3HG1 VAL 92 3HG1 VAL 92 1.333 2.861 -23.026 737 1HG2 VAL 92 1HG2 VAL 92 3.634 4.180 -26.494 738 2HG2 VAL 92 2HG2 VAL 92 4.091 4.814 -24.873 739 3HG2 VAL 92 3HG2 VAL 92 4.359 3.077 -25.254 740 H MET 93 H MET 93 1.026 0.732 -23.791 741 HA MET 93 HA MET 93 3.230 -1.058 -24.132 742 1HB MET 93 1HB MET 93 2.056 -0.800 -21.978 743 2HB MET 93 2HB MET 93 0.582 -1.543 -22.678 744 1HG MET 93 1HG MET 93 1.614 -3.694 -22.908 745 2HG MET 93 2HG MET 93 3.262 -3.034 -22.722 746 1HE MET 93 1HE MET 93 3.747 -1.412 -20.514 747 2HE MET 93 2HE MET 93 4.586 -2.985 -20.746 748 3HE MET 93 3HE MET 93 3.974 -2.526 -19.122 749 H THR 94 H THR 94 -0.282 -1.362 -25.442 750 HA THR 94 HA THR 94 0.261 -3.867 -26.637 751 HB THR 94 HB THR 94 -1.569 -3.613 -28.159 752 HG1 THR 94 HG1 THR 94 -2.705 -1.873 -28.322 753 1HG2 THR 94 1HG2 THR 94 -3.340 -3.460 -26.406 754 2HG2 THR 94 2HG2 THR 94 -1.920 -4.385 -25.804 755 3HG2 THR 94 3HG2 THR 94 -2.181 -2.694 -25.258 756 H GLN 95 H GLN 95 0.596 -0.545 -28.209 757 HA GLN 95 HA GLN 95 1.825 -1.247 -30.570 758 1HB GLN 95 1HB GLN 95 1.208 1.066 -29.780 759 2HB GLN 95 2HB GLN 95 2.605 1.029 -28.663 760 1HG GLN 95 1HG GLN 95 4.138 0.811 -30.754 761 2HG GLN 95 2HG GLN 95 2.673 1.107 -31.757 762 1HE2 GLN 95 1HE2 GLN 95 1.364 3.162 -31.045 763 2HE2 GLN 95 2HE2 GLN 95 2.281 4.548 -30.551 764 H LYS 96 H LYS 96 3.702 -0.885 -27.403 765 HA LYS 96 HA LYS 96 6.186 -1.555 -28.722 766 1HB LYS 96 1HB LYS 96 5.390 -0.537 -26.104 767 2HB LYS 96 2HB LYS 96 6.545 -1.877 -25.907 768 1HG LYS 96 1HG LYS 96 7.824 0.167 -26.005 769 2HG LYS 96 2HG LYS 96 8.127 -0.789 -27.493 770 1HD LYS 96 1HD LYS 96 8.023 1.469 -28.182 771 2HD LYS 96 2HD LYS 96 6.463 0.757 -28.717 772 1HE LYS 96 1HE LYS 96 5.302 1.842 -26.777 773 2HE LYS 96 2HE LYS 96 6.883 2.474 -26.162 774 1HZ LYS 96 1HZ LYS 96 7.070 3.768 -28.232 775 2HZ LYS 96 2HZ LYS 96 5.737 4.190 -27.335 776 3HZ LYS 96 3HZ LYS 96 5.530 3.230 -28.719 777 H MET 97 H MET 97 4.016 -3.619 -26.532 778 HA MET 97 HA MET 97 5.910 -5.813 -26.778 779 1HB MET 97 1HB MET 97 3.167 -5.681 -25.459 780 2HB MET 97 2HB MET 97 4.232 -7.133 -25.463 781 1HG MET 97 1HG MET 97 6.059 -5.760 -24.415 782 2HG MET 97 2HG MET 97 4.927 -4.379 -24.268 783 1HE MET 97 1HE MET 97 5.802 -6.023 -20.704 784 2HE MET 97 2HE MET 97 6.789 -6.158 -22.189 785 3HE MET 97 3HE MET 97 6.030 -4.587 -21.760 786 H SER 98 H SER 98 2.357 -5.616 -27.886 787 HA SER 98 HA SER 98 2.778 -8.005 -29.486 788 1HB SER 98 1HB SER 98 0.334 -7.636 -30.168 789 2HB SER 98 2HB SER 98 0.653 -7.972 -28.425 790 HG SER 98 HG SER 98 0.510 -5.374 -29.509 Start of MODEL 12 1 1H MET 1 1H MET 1 18.944 -29.072 -35.451 2 2H MET 1 2H MET 1 18.121 -27.785 -34.719 3 3H MET 1 3H MET 1 18.260 -27.851 -36.417 4 HA MET 1 HA MET 1 20.660 -27.635 -36.198 5 1HB MET 1 1HB MET 1 19.085 -25.417 -34.741 6 2HB MET 1 2HB MET 1 20.728 -25.228 -35.444 7 1HG MET 1 1HG MET 1 19.814 -25.689 -37.724 8 2HG MET 1 2HG MET 1 18.163 -25.847 -37.037 9 1HE MET 1 1HE MET 1 17.246 -24.165 -38.727 10 2HE MET 1 2HE MET 1 18.887 -24.002 -39.443 11 3HE MET 1 3HE MET 1 17.932 -22.535 -39.042 12 H ALA 2 H ALA 2 22.546 -27.860 -34.837 13 HA ALA 2 HA ALA 2 22.065 -28.627 -32.076 14 1HB ALA 2 1HB ALA 2 24.478 -29.218 -32.019 15 2HB ALA 2 2HB ALA 2 23.657 -29.955 -33.439 16 3HB ALA 2 3HB ALA 2 24.692 -28.497 -33.659 17 H SER 3 H SER 3 21.484 -26.635 -30.948 18 HA SER 3 HA SER 3 23.702 -25.189 -29.881 19 1HB SER 3 1HB SER 3 21.732 -23.667 -31.701 20 2HB SER 3 2HB SER 3 22.697 -22.840 -30.422 21 HG SER 3 HG SER 3 23.925 -24.486 -32.346 22 H ASN 4 H ASN 4 23.116 -24.122 -27.856 23 HA ASN 4 HA ASN 4 20.495 -24.852 -26.811 24 1HB ASN 4 1HB ASN 4 22.614 -25.072 -25.411 25 2HB ASN 4 2HB ASN 4 22.716 -23.282 -25.377 26 1HD2 ASN 4 1HD2 ASN 4 20.486 -26.067 -24.608 27 2HD2 ASN 4 2HD2 ASN 4 19.704 -25.304 -23.266 28 H PHE 5 H PHE 5 19.108 -23.493 -28.165 29 HA PHE 5 HA PHE 5 19.556 -20.769 -28.597 30 1HB PHE 5 1HB PHE 5 16.937 -22.369 -28.850 31 2HB PHE 5 2HB PHE 5 17.126 -20.669 -29.419 32 HD1 PHE 5 HD1 PHE 5 18.854 -20.101 -31.138 33 HD2 PHE 5 HD2 PHE 5 17.819 -24.172 -30.206 34 HE1 PHE 5 HE1 PHE 5 19.833 -20.844 -33.283 35 HE2 PHE 5 HE2 PHE 5 18.806 -24.910 -32.346 36 HZ PHE 5 HZ PHE 5 19.811 -23.241 -33.894 37 H LYS 6 H LYS 6 18.522 -18.792 -27.919 38 HA LYS 6 HA LYS 6 16.930 -18.907 -25.451 39 1HB LYS 6 1HB LYS 6 19.627 -18.409 -25.254 40 2HB LYS 6 2HB LYS 6 19.072 -16.754 -25.552 41 1HG LYS 6 1HG LYS 6 19.246 -17.134 -23.152 42 2HG LYS 6 2HG LYS 6 17.522 -16.913 -23.598 43 1HD LYS 6 1HD LYS 6 17.655 -18.588 -21.918 44 2HD LYS 6 2HD LYS 6 17.167 -19.419 -23.416 45 1HE LYS 6 1HE LYS 6 20.051 -19.415 -22.242 46 2HE LYS 6 2HE LYS 6 18.800 -20.679 -21.929 47 1HZ LYS 6 1HZ LYS 6 20.114 -21.524 -23.607 48 2HZ LYS 6 2HZ LYS 6 20.178 -20.072 -24.473 49 3HZ LYS 6 3HZ LYS 6 18.738 -20.956 -24.428 50 H LYS 7 H LYS 7 18.343 -16.146 -27.465 51 HA LYS 7 HA LYS 7 15.571 -15.188 -27.869 52 1HB LYS 7 1HB LYS 7 17.303 -13.587 -27.007 53 2HB LYS 7 2HB LYS 7 18.201 -13.774 -28.550 54 1HG LYS 7 1HG LYS 7 16.269 -12.825 -29.797 55 2HG LYS 7 2HG LYS 7 15.284 -12.773 -28.295 56 1HD LYS 7 1HD LYS 7 16.828 -11.105 -27.301 57 2HD LYS 7 2HD LYS 7 17.897 -11.205 -28.750 58 1HE LYS 7 1HE LYS 7 16.052 -10.329 -30.202 59 2HE LYS 7 2HE LYS 7 14.949 -10.233 -28.772 60 1HZ LYS 7 1HZ LYS 7 16.015 -8.143 -29.440 61 2HZ LYS 7 2HZ LYS 7 16.303 -8.554 -27.822 62 3HZ LYS 7 3HZ LYS 7 17.528 -8.765 -28.991 63 H ALA 8 H ALA 8 15.047 -17.015 -29.396 64 HA ALA 8 HA ALA 8 16.438 -16.936 -32.003 65 1HB ALA 8 1HB ALA 8 16.107 -19.183 -31.005 66 2HB ALA 8 2HB ALA 8 14.327 -18.903 -30.958 67 3HB ALA 8 3HB ALA 8 15.187 -19.010 -32.542 68 H ASN 9 H ASN 9 15.422 -14.700 -32.482 69 HA ASN 9 HA ASN 9 12.542 -14.730 -33.038 70 1HB ASN 9 1HB ASN 9 14.590 -12.469 -33.377 71 2HB ASN 9 2HB ASN 9 12.840 -12.322 -33.773 72 1HD2 ASN 9 1HD2 ASN 9 11.380 -13.335 -31.791 73 2HD2 ASN 9 2HD2 ASN 9 11.781 -12.652 -30.252 74 H MET 10 H MET 10 12.602 -16.399 -34.750 75 HA MET 10 HA MET 10 13.638 -15.491 -37.366 76 1HB MET 10 1HB MET 10 14.073 -17.841 -36.640 77 2HB MET 10 2HB MET 10 12.314 -18.159 -36.611 78 1HG MET 10 1HG MET 10 12.228 -17.631 -39.094 79 2HG MET 10 2HG MET 10 13.991 -17.315 -39.063 80 1HE MET 10 1HE MET 10 13.682 -20.567 -41.167 81 2HE MET 10 2HE MET 10 14.300 -18.884 -41.058 82 3HE MET 10 3HE MET 10 12.529 -19.192 -41.084 83 H ALA 11 H ALA 11 10.502 -17.306 -36.792 84 HA ALA 11 HA ALA 11 9.072 -15.172 -38.259 85 1HB ALA 11 1HB ALA 11 8.757 -17.485 -39.116 86 2HB ALA 11 2HB ALA 11 8.116 -17.986 -37.508 87 3HB ALA 11 3HB ALA 11 7.221 -16.775 -38.507 88 H SER 12 H SER 12 9.229 -13.686 -36.284 89 HA SER 12 HA SER 12 8.181 -14.408 -33.778 90 1HB SER 12 1HB SER 12 8.169 -11.832 -33.394 91 2HB SER 12 2HB SER 12 9.733 -12.610 -33.829 92 HG SER 12 HG SER 12 9.274 -10.718 -35.027 93 H SER 13 H SER 13 6.531 -12.018 -36.069 94 HA SER 13 HA SER 13 3.951 -12.593 -34.819 95 1HB SER 13 1HB SER 13 3.091 -10.982 -36.630 96 2HB SER 13 2HB SER 13 4.271 -10.308 -35.453 97 HG SER 13 HG SER 13 4.760 -11.199 -38.086 98 H SER 14 H SER 14 3.990 -15.004 -35.327 99 HA SER 14 HA SER 14 3.861 -15.787 -38.118 100 1HB SER 14 1HB SER 14 3.656 -17.392 -35.525 101 2HB SER 14 2HB SER 14 3.286 -18.131 -37.126 102 HG SER 14 HG SER 14 5.733 -16.991 -36.285 103 H GLN 15 H GLN 15 1.945 -14.305 -38.555 104 HA GLN 15 HA GLN 15 -0.668 -15.636 -38.067 105 1HB GLN 15 1HB GLN 15 0.126 -12.852 -39.063 106 2HB GLN 15 2HB GLN 15 -1.514 -13.512 -39.327 107 1HG GLN 15 1HG GLN 15 -1.594 -12.089 -37.406 108 2HG GLN 15 2HG GLN 15 -1.912 -13.785 -36.912 109 1HE2 GLN 15 1HE2 GLN 15 -0.757 -14.480 -35.107 110 2HE2 GLN 15 2HE2 GLN 15 0.683 -13.742 -34.489 111 H ARG 16 H ARG 16 -0.234 -17.509 -39.467 112 HA ARG 16 HA ARG 16 0.360 -16.906 -42.311 113 1HB ARG 16 1HB ARG 16 1.803 -18.286 -40.525 114 2HB ARG 16 2HB ARG 16 0.795 -19.649 -41.063 115 1HG ARG 16 1HG ARG 16 1.555 -19.237 -43.435 116 2HG ARG 16 2HG ARG 16 2.503 -17.815 -42.881 117 1HD ARG 16 1HD ARG 16 2.976 -20.763 -42.062 118 2HD ARG 16 2HD ARG 16 4.020 -19.761 -43.165 119 HE ARG 16 HE ARG 16 3.804 -18.330 -40.720 120 1HH1 ARG 16 1HH1 ARG 16 5.162 -21.444 -41.854 121 2HH1 ARG 16 2HH1 ARG 16 6.263 -21.616 -40.551 122 1HH2 ARG 16 1HH2 ARG 16 5.291 -18.613 -38.855 123 2HH2 ARG 16 2HH2 ARG 16 6.348 -19.950 -38.832 124 H LYS 17 H LYS 17 -1.874 -16.658 -43.078 125 HA LYS 17 HA LYS 17 -2.980 -19.262 -43.808 126 1HB LYS 17 1HB LYS 17 -4.338 -18.507 -41.827 127 2HB LYS 17 2HB LYS 17 -4.801 -17.026 -42.710 128 1HG LYS 17 1HG LYS 17 -5.889 -18.471 -44.489 129 2HG LYS 17 2HG LYS 17 -5.425 -19.937 -43.572 130 1HD LYS 17 1HD LYS 17 -7.299 -17.671 -42.614 131 2HD LYS 17 2HD LYS 17 -7.827 -19.258 -43.259 132 1HE LYS 17 1HE LYS 17 -6.263 -18.789 -40.620 133 2HE LYS 17 2HE LYS 17 -8.006 -19.227 -40.787 134 1HZ LYS 17 1HZ LYS 17 -5.692 -20.885 -41.644 135 2HZ LYS 17 2HZ LYS 17 -6.653 -21.118 -40.267 136 3HZ LYS 17 3HZ LYS 17 -7.330 -21.301 -41.811 137 H ARG 18 H ARG 18 -4.553 -16.047 -44.366 138 HA ARG 18 HA ARG 18 -3.064 -15.591 -46.821 139 1HB ARG 18 1HB ARG 18 -5.042 -16.941 -47.635 140 2HB ARG 18 2HB ARG 18 -6.151 -15.745 -46.905 141 1HG ARG 18 1HG ARG 18 -5.137 -13.971 -48.440 142 2HG ARG 18 2HG ARG 18 -4.087 -15.250 -49.154 143 1HD ARG 18 1HD ARG 18 -6.125 -16.478 -49.973 144 2HD ARG 18 2HD ARG 18 -7.190 -15.214 -49.206 145 HE ARG 18 HE ARG 18 -5.250 -13.958 -50.948 146 1HH1 ARG 18 1HH1 ARG 18 -8.215 -15.973 -51.094 147 2HH1 ARG 18 2HH1 ARG 18 -8.723 -15.380 -52.621 148 1HH2 ARG 18 1HH2 ARG 18 -5.960 -13.146 -53.050 149 2HH2 ARG 18 2HH2 ARG 18 -7.404 -13.732 -53.761 150 H MET 19 H MET 19 -6.230 -13.955 -46.107 151 HA MET 19 HA MET 19 -4.871 -11.548 -45.156 152 1HB MET 19 1HB MET 19 -7.869 -12.242 -45.221 153 2HB MET 19 2HB MET 19 -7.172 -10.631 -44.828 154 1HG MET 19 1HG MET 19 -6.187 -10.496 -47.119 155 2HG MET 19 2HG MET 19 -6.857 -12.109 -47.518 156 1HE MET 19 1HE MET 19 -7.204 -9.631 -49.320 157 2HE MET 19 2HE MET 19 -8.926 -9.796 -49.805 158 3HE MET 19 3HE MET 19 -7.893 -11.259 -49.656 159 H SER 20 H SER 20 -3.882 -11.920 -43.148 160 HA SER 20 HA SER 20 -5.323 -13.564 -41.140 161 1HB SER 20 1HB SER 20 -2.309 -13.195 -41.433 162 2HB SER 20 2HB SER 20 -3.195 -14.378 -40.389 163 HG SER 20 HG SER 20 -3.056 -14.209 -43.217 164 HA PRO 21 HA PRO 21 -5.020 -9.511 -38.872 165 1HB PRO 21 1HB PRO 21 -6.990 -11.113 -37.122 166 2HB PRO 21 2HB PRO 21 -7.037 -9.340 -37.493 167 1HG PRO 21 1HG PRO 21 -8.676 -11.040 -38.851 168 2HG PRO 21 2HG PRO 21 -7.754 -9.784 -39.778 169 1HD PRO 21 1HD PRO 21 -7.078 -12.765 -39.461 170 2HD PRO 21 2HD PRO 21 -7.013 -11.706 -40.945 171 H LYS 22 H LYS 22 -4.012 -8.796 -36.881 172 HA LYS 22 HA LYS 22 -2.534 -10.851 -35.412 173 1HB LYS 22 1HB LYS 22 -2.387 -7.805 -35.205 174 2HB LYS 22 2HB LYS 22 -1.455 -8.969 -34.204 175 1HG LYS 22 1HG LYS 22 -0.477 -9.935 -36.370 176 2HG LYS 22 2HG LYS 22 -1.278 -8.593 -37.256 177 1HD LYS 22 1HD LYS 22 1.037 -7.990 -36.886 178 2HD LYS 22 2HD LYS 22 0.015 -6.940 -35.838 179 1HE LYS 22 1HE LYS 22 0.573 -8.427 -33.850 180 2HE LYS 22 2HE LYS 22 1.603 -9.452 -34.922 181 1HZ LYS 22 1HZ LYS 22 2.761 -7.801 -33.566 182 2HZ LYS 22 2HZ LYS 22 3.067 -7.597 -35.240 183 3HZ LYS 22 3HZ LYS 22 2.017 -6.548 -34.398 184 HA PRO 23 HA PRO 23 -5.593 -10.084 -31.959 185 1HB PRO 23 1HB PRO 23 -4.963 -12.225 -30.297 186 2HB PRO 23 2HB PRO 23 -5.957 -12.415 -31.793 187 1HG PRO 23 1HG PRO 23 -2.953 -12.924 -31.462 188 2HG PRO 23 2HG PRO 23 -4.191 -14.005 -32.226 189 1HD PRO 23 1HD PRO 23 -2.545 -12.275 -33.688 190 2HD PRO 23 2HD PRO 23 -4.252 -12.647 -34.218 191 H GLU 24 H GLU 24 -5.149 -8.473 -30.579 192 HA GLU 24 HA GLU 24 -2.397 -8.138 -29.652 193 1HB GLU 24 1HB GLU 24 -2.783 -5.801 -29.626 194 2HB GLU 24 2HB GLU 24 -3.177 -6.490 -31.213 195 1HG GLU 24 1HG GLU 24 -5.373 -5.768 -29.153 196 2HG GLU 24 2HG GLU 24 -4.719 -4.646 -30.386 197 H LEU 25 H LEU 25 -1.831 -8.491 -27.610 198 HA LEU 25 HA LEU 25 -1.895 -8.959 -25.425 199 1HB LEU 25 1HB LEU 25 -4.093 -6.897 -25.003 200 2HB LEU 25 2HB LEU 25 -3.058 -7.636 -23.741 201 HG LEU 25 HG LEU 25 -2.227 -5.710 -25.975 202 1HD1 LEU 25 1HD1 LEU 25 -3.375 -4.691 -23.991 203 2HD1 LEU 25 2HD1 LEU 25 -2.169 -5.454 -22.891 204 3HD1 LEU 25 3HD1 LEU 25 -1.643 -4.191 -24.064 205 1HD2 LEU 25 1HD2 LEU 25 0.084 -5.704 -25.023 206 2HD2 LEU 25 2HD2 LEU 25 -0.354 -7.063 -23.929 207 3HD2 LEU 25 3HD2 LEU 25 -0.340 -7.304 -25.716 208 H THR 26 H THR 26 -2.494 -11.031 -24.975 209 HA THR 26 HA THR 26 -5.294 -11.869 -25.245 210 HB THR 26 HB THR 26 -4.426 -14.131 -24.653 211 HG1 THR 26 HG1 THR 26 -1.903 -12.794 -24.538 212 1HG2 THR 26 1HG2 THR 26 -2.754 -12.652 -26.801 213 2HG2 THR 26 2HG2 THR 26 -4.425 -13.288 -27.018 214 3HG2 THR 26 3HG2 THR 26 -3.064 -14.422 -26.691 215 H GLU 27 H GLU 27 -5.465 -13.769 -23.072 216 HA GLU 27 HA GLU 27 -6.750 -12.070 -21.280 217 1HB GLU 27 1HB GLU 27 -7.457 -14.405 -21.897 218 2HB GLU 27 2HB GLU 27 -6.127 -15.041 -20.879 219 1HG GLU 27 1HG GLU 27 -8.292 -15.171 -19.707 220 2HG GLU 27 2HG GLU 27 -7.213 -14.023 -18.839 221 H GLU 28 H GLU 28 -3.735 -14.060 -20.619 222 HA GLU 28 HA GLU 28 -3.229 -13.137 -18.016 223 1HB GLU 28 1HB GLU 28 -2.094 -15.052 -19.126 224 2HB GLU 28 2HB GLU 28 -1.226 -13.914 -20.209 225 1HG GLU 28 1HG GLU 28 0.011 -12.959 -18.265 226 2HG GLU 28 2HG GLU 28 -0.973 -13.954 -17.123 227 H GLN 29 H GLN 29 -1.993 -11.660 -21.180 228 HA GLN 29 HA GLN 29 -0.590 -9.520 -20.008 229 1HB GLN 29 1HB GLN 29 -2.022 -9.680 -22.707 230 2HB GLN 29 2HB GLN 29 -0.763 -8.463 -22.281 231 1HG GLN 29 1HG GLN 29 0.962 -10.204 -22.067 232 2HG GLN 29 2HG GLN 29 -0.245 -11.522 -22.217 233 1HE2 GLN 29 1HE2 GLN 29 1.665 -9.158 -24.035 234 2HE2 GLN 29 2HE2 GLN 29 1.186 -9.692 -25.613 235 H LYS 30 H LYS 30 -4.046 -9.533 -21.149 236 HA LYS 30 HA LYS 30 -4.894 -6.956 -20.543 237 1HB LYS 30 1HB LYS 30 -6.244 -8.611 -21.725 238 2HB LYS 30 2HB LYS 30 -6.130 -9.733 -20.344 239 1HG LYS 30 1HG LYS 30 -7.614 -8.177 -18.991 240 2HG LYS 30 2HG LYS 30 -7.886 -7.218 -20.494 241 1HD LYS 30 1HD LYS 30 -8.834 -9.211 -21.618 242 2HD LYS 30 2HD LYS 30 -8.207 -10.268 -20.310 243 1HE LYS 30 1HE LYS 30 -9.811 -9.092 -18.676 244 2HE LYS 30 2HE LYS 30 -10.612 -8.348 -20.123 245 1HZ LYS 30 1HZ LYS 30 -11.657 -10.422 -19.449 246 2HZ LYS 30 2HZ LYS 30 -10.925 -10.625 -20.973 247 3HZ LYS 30 3HZ LYS 30 -10.171 -11.250 -19.593 248 H GLN 31 H GLN 31 -5.043 -9.797 -18.153 249 HA GLN 31 HA GLN 31 -5.654 -8.078 -15.958 250 1HB GLN 31 1HB GLN 31 -5.224 -9.905 -14.430 251 2HB GLN 31 2HB GLN 31 -6.306 -10.382 -15.781 252 1HG GLN 31 1HG GLN 31 -4.421 -11.542 -16.928 253 2HG GLN 31 2HG GLN 31 -3.295 -11.090 -15.600 254 1HE2 GLN 31 1HE2 GLN 31 -4.096 -11.750 -13.302 255 2HE2 GLN 31 2HE2 GLN 31 -4.843 -13.308 -13.157 256 H GLU 32 H GLU 32 -2.313 -9.258 -17.096 257 HA GLU 32 HA GLU 32 -0.828 -8.176 -14.999 258 1HB GLU 32 1HB GLU 32 -0.196 -8.304 -17.991 259 2HB GLU 32 2HB GLU 32 0.986 -7.731 -16.770 260 1HG GLU 32 1HG GLU 32 0.913 -9.897 -15.573 261 2HG GLU 32 2HG GLU 32 -0.232 -10.558 -16.795 262 H ILE 33 H ILE 33 -1.862 -6.276 -17.984 263 HA ILE 33 HA ILE 33 -0.636 -3.849 -17.077 264 HB ILE 33 HB ILE 33 -2.900 -4.393 -19.066 265 1HG1 ILE 33 1HG1 ILE 33 -0.848 -5.592 -19.722 266 2HG1 ILE 33 2HG1 ILE 33 -1.193 -4.234 -20.828 267 1HG2 ILE 33 1HG2 ILE 33 -1.180 -1.856 -18.733 268 2HG2 ILE 33 2HG2 ILE 33 -2.275 -2.193 -20.119 269 3HG2 ILE 33 3HG2 ILE 33 -2.959 -1.997 -18.476 270 1HD1 ILE 33 1HD1 ILE 33 0.953 -4.308 -18.611 271 2HD1 ILE 33 2HD1 ILE 33 0.596 -2.860 -19.630 272 3HD1 ILE 33 3HD1 ILE 33 1.223 -4.369 -20.384 273 H ARG 34 H ARG 34 -4.216 -4.943 -16.741 274 HA ARG 34 HA ARG 34 -4.871 -2.558 -15.292 275 1HB ARG 34 1HB ARG 34 -6.687 -3.998 -16.269 276 2HB ARG 34 2HB ARG 34 -6.223 -5.291 -15.122 277 1HG ARG 34 1HG ARG 34 -8.077 -4.405 -14.087 278 2HG ARG 34 2HG ARG 34 -6.791 -3.546 -13.210 279 1HD ARG 34 1HD ARG 34 -8.652 -2.463 -15.422 280 2HD ARG 34 2HD ARG 34 -8.657 -2.026 -13.675 281 HE ARG 34 HE ARG 34 -6.565 -1.286 -15.732 282 1HH1 ARG 34 1HH1 ARG 34 -7.934 -0.557 -12.429 283 2HH1 ARG 34 2HH1 ARG 34 -7.550 1.095 -12.540 284 1HH2 ARG 34 1HH2 ARG 34 -5.951 0.961 -15.727 285 2HH2 ARG 34 2HH2 ARG 34 -6.336 1.959 -14.385 286 H GLU 35 H GLU 35 -3.984 -5.940 -13.932 287 HA GLU 35 HA GLU 35 -4.173 -5.253 -11.270 288 1HB GLU 35 1HB GLU 35 -3.683 -7.500 -12.461 289 2HB GLU 35 2HB GLU 35 -1.950 -7.093 -12.291 290 1HG GLU 35 1HG GLU 35 -4.030 -7.326 -9.985 291 2HG GLU 35 2HG GLU 35 -2.999 -8.677 -10.576 292 H ALA 36 H ALA 36 -1.141 -4.641 -13.319 293 HA ALA 36 HA ALA 36 0.305 -3.452 -11.179 294 1HB ALA 36 1HB ALA 36 0.529 -2.909 -14.198 295 2HB ALA 36 2HB ALA 36 1.753 -2.446 -12.953 296 3HB ALA 36 3HB ALA 36 1.409 -4.181 -13.282 297 H PHE 37 H PHE 37 -1.523 -1.677 -13.871 298 HA PHE 37 HA PHE 37 -1.068 0.887 -12.762 299 1HB PHE 37 1HB PHE 37 -1.941 0.192 -15.152 300 2HB PHE 37 2HB PHE 37 -3.576 0.187 -14.421 301 HD1 PHE 37 HD1 PHE 37 -0.843 2.179 -15.744 302 HD2 PHE 37 HD2 PHE 37 -4.381 2.412 -13.309 303 HE1 PHE 37 HE1 PHE 37 -0.950 4.604 -16.130 304 HE2 PHE 37 HE2 PHE 37 -4.426 4.862 -13.626 305 HZ PHE 37 HZ PHE 37 -2.686 5.959 -15.010 306 H ASP 38 H ASP 38 -3.980 -1.319 -12.293 307 HA ASP 38 HA ASP 38 -5.446 0.360 -10.556 308 1HB ASP 38 1HB ASP 38 -5.988 -1.907 -11.834 309 2HB ASP 38 2HB ASP 38 -5.401 -2.711 -10.351 310 H LEU 39 H LEU 39 -2.721 -2.035 -9.698 311 HA LEU 39 HA LEU 39 -2.900 -1.808 -6.914 312 1HB LEU 39 1HB LEU 39 -0.540 -2.246 -8.784 313 2HB LEU 39 2HB LEU 39 -0.203 -1.926 -7.058 314 HG LEU 39 HG LEU 39 -1.987 -4.218 -8.019 315 1HD1 LEU 39 1HD1 LEU 39 -0.025 -5.681 -7.531 316 2HD1 LEU 39 2HD1 LEU 39 0.330 -4.511 -8.846 317 3HD1 LEU 39 3HD1 LEU 39 0.989 -4.226 -7.189 318 1HD2 LEU 39 1HD2 LEU 39 -1.648 -5.114 -5.720 319 2HD2 LEU 39 2HD2 LEU 39 -0.749 -3.619 -5.256 320 3HD2 LEU 39 3HD2 LEU 39 -2.501 -3.533 -5.683 321 H PHE 40 H PHE 40 -1.061 0.432 -9.161 322 HA PHE 40 HA PHE 40 -0.449 2.178 -6.900 323 1HB PHE 40 1HB PHE 40 0.155 2.547 -9.875 324 2HB PHE 40 2HB PHE 40 0.741 3.625 -8.537 325 HD1 PHE 40 HD1 PHE 40 2.000 2.499 -6.572 326 HD2 PHE 40 HD2 PHE 40 1.353 0.513 -10.327 327 HE1 PHE 40 HE1 PHE 40 3.787 0.881 -6.028 328 HE2 PHE 40 HE2 PHE 40 3.106 -1.129 -9.762 329 HZ PHE 40 HZ PHE 40 4.341 -0.942 -7.620 330 H ASP 41 H ASP 41 -2.736 2.457 -9.766 331 HA ASP 41 HA ASP 41 -3.977 4.803 -8.521 332 1HB ASP 41 1HB ASP 41 -3.631 4.748 -11.016 333 2HB ASP 41 2HB ASP 41 -4.810 3.395 -11.113 334 H ALA 42 H ALA 42 -4.648 3.646 -6.539 335 HA ALA 42 HA ALA 42 -6.270 1.312 -6.642 336 1HB ALA 42 1HB ALA 42 -4.880 1.895 -4.663 337 2HB ALA 42 2HB ALA 42 -6.598 1.631 -4.198 338 3HB ALA 42 3HB ALA 42 -5.947 3.310 -4.328 339 H ASP 43 H ASP 43 -7.273 4.756 -6.125 340 HA ASP 43 HA ASP 43 -10.045 4.074 -5.694 341 1HB ASP 43 1HB ASP 43 -8.683 6.796 -6.142 342 2HB ASP 43 2HB ASP 43 -10.406 6.576 -5.656 343 H GLY 44 H GLY 44 -8.213 4.931 -8.676 344 1HA GLY 44 1HA GLY 44 -9.019 4.883 -10.812 345 2HA GLY 44 2HA GLY 44 -10.711 5.087 -10.224 346 H THR 45 H THR 45 -7.531 6.804 -10.527 347 HA THR 45 HA THR 45 -9.017 9.368 -10.622 348 HB THR 45 HB THR 45 -7.955 8.900 -8.415 349 HG1 THR 45 HG1 THR 45 -7.224 11.161 -9.934 350 1HG2 THR 45 1HG2 THR 45 -5.805 7.858 -9.226 351 2HG2 THR 45 2HG2 THR 45 -5.290 9.440 -9.909 352 3HG2 THR 45 3HG2 THR 45 -5.530 9.255 -8.136 353 H GLY 46 H GLY 46 -6.026 7.732 -12.166 354 1HA GLY 46 1HA GLY 46 -6.314 8.842 -14.527 355 2HA GLY 46 2HA GLY 46 -5.623 10.255 -13.656 356 H THR 47 H THR 47 -3.452 9.746 -12.446 357 HA THR 47 HA THR 47 -1.769 8.389 -14.453 358 HB THR 47 HB THR 47 0.026 9.998 -14.052 359 HG1 THR 47 HG1 THR 47 -0.180 11.043 -12.297 360 1HG2 THR 47 1HG2 THR 47 -1.042 11.853 -15.323 361 2HG2 THR 47 2HG2 THR 47 -1.606 10.258 -15.939 362 3HG2 THR 47 3HG2 THR 47 -2.684 11.252 -14.887 363 H ILE 48 H ILE 48 -0.038 7.191 -13.945 364 HA ILE 48 HA ILE 48 0.643 6.736 -11.083 365 HB ILE 48 HB ILE 48 -0.059 4.621 -12.114 366 1HG1 ILE 48 1HG1 ILE 48 2.992 4.904 -11.750 367 2HG1 ILE 48 2HG1 ILE 48 1.768 4.488 -10.510 368 1HG2 ILE 48 1HG2 ILE 48 2.115 5.008 -14.265 369 2HG2 ILE 48 2HG2 ILE 48 0.894 3.697 -14.140 370 3HG2 ILE 48 3HG2 ILE 48 0.380 5.365 -14.532 371 1HD1 ILE 48 1HD1 ILE 48 2.647 2.771 -12.937 372 2HD1 ILE 48 2HD1 ILE 48 1.274 2.346 -11.850 373 3HD1 ILE 48 3HD1 ILE 48 2.954 2.453 -11.199 374 H ASP 49 H ASP 49 2.543 7.801 -10.564 375 HA ASP 49 HA ASP 49 3.953 9.149 -12.769 376 1HB ASP 49 1HB ASP 49 3.799 9.830 -9.797 377 2HB ASP 49 2HB ASP 49 4.824 10.713 -10.989 378 H VAL 50 H VAL 50 6.355 9.616 -12.523 379 HA VAL 50 HA VAL 50 7.743 7.358 -12.899 380 HB VAL 50 HB VAL 50 9.922 8.662 -12.442 381 1HG1 VAL 50 1HG1 VAL 50 9.485 9.965 -14.557 382 2HG1 VAL 50 2HG1 VAL 50 8.983 8.239 -14.651 383 3HG1 VAL 50 3HG1 VAL 50 7.740 9.516 -14.440 384 1HG2 VAL 50 1HG2 VAL 50 9.631 11.109 -12.224 385 2HG2 VAL 50 2HG2 VAL 50 7.848 10.950 -12.108 386 3HG2 VAL 50 3HG2 VAL 50 8.898 10.294 -10.798 387 H LYS 51 H LYS 51 7.584 8.613 -9.458 388 HA LYS 51 HA LYS 51 9.498 6.789 -8.418 389 1HB LYS 51 1HB LYS 51 6.920 7.603 -6.986 390 2HB LYS 51 2HB LYS 51 8.468 7.120 -6.237 391 1HG LYS 51 1HG LYS 51 9.472 9.276 -6.841 392 2HG LYS 51 2HG LYS 51 8.130 9.657 -7.975 393 1HD LYS 51 1HD LYS 51 6.502 9.574 -6.066 394 2HD LYS 51 2HD LYS 51 7.896 9.506 -4.926 395 1HE LYS 51 1HE LYS 51 8.685 11.740 -5.730 396 2HE LYS 51 2HE LYS 51 7.427 11.743 -7.033 397 1HZ LYS 51 1HZ LYS 51 6.889 11.747 -4.107 398 2HZ LYS 51 2HZ LYS 51 6.781 13.076 -5.161 399 3HZ LYS 51 3HZ LYS 51 5.732 11.755 -5.349 400 H GLU 52 H GLU 52 5.890 6.451 -8.391 401 HA GLU 52 HA GLU 52 5.748 3.711 -7.738 402 1HB GLU 52 1HB GLU 52 3.580 5.182 -9.328 403 2HB GLU 52 2HB GLU 52 3.414 3.861 -8.143 404 1HG GLU 52 1HG GLU 52 2.669 5.634 -6.854 405 2HG GLU 52 2HG GLU 52 4.418 5.722 -6.434 406 H LEU 53 H LEU 53 5.539 5.362 -11.032 407 HA LEU 53 HA LEU 53 5.167 3.016 -12.541 408 1HB LEU 53 1HB LEU 53 4.885 5.396 -13.330 409 2HB LEU 53 2HB LEU 53 6.667 5.553 -13.364 410 HG LEU 53 HG LEU 53 6.793 3.788 -15.132 411 1HD1 LEU 53 1HD1 LEU 53 3.709 3.770 -14.982 412 2HD1 LEU 53 2HD1 LEU 53 4.680 3.036 -16.302 413 3HD1 LEU 53 3HD1 LEU 53 4.816 2.389 -14.633 414 1HD2 LEU 53 1HD2 LEU 53 6.625 6.193 -15.746 415 2HD2 LEU 53 2HD2 LEU 53 5.793 5.159 -16.969 416 3HD2 LEU 53 3HD2 LEU 53 4.830 6.082 -15.752 417 H LYS 54 H LYS 54 8.391 4.446 -11.435 418 HA LYS 54 HA LYS 54 10.048 2.609 -12.767 419 1HB LYS 54 1HB LYS 54 10.850 4.674 -11.639 420 2HB LYS 54 2HB LYS 54 10.506 3.935 -10.041 421 1HG LYS 54 1HG LYS 54 12.234 2.161 -10.514 422 2HG LYS 54 2HG LYS 54 12.513 2.876 -12.141 423 1HD LYS 54 1HD LYS 54 13.266 5.007 -11.070 424 2HD LYS 54 2HD LYS 54 12.964 4.297 -9.442 425 1HE LYS 54 1HE LYS 54 14.707 2.522 -9.889 426 2HE LYS 54 2HE LYS 54 15.017 3.243 -11.521 427 1HZ LYS 54 1HZ LYS 54 16.613 3.958 -9.896 428 2HZ LYS 54 2HZ LYS 54 15.401 4.602 -8.899 429 3HZ LYS 54 3HZ LYS 54 15.691 5.279 -10.429 430 H VAL 55 H VAL 55 8.785 2.256 -9.289 431 HA VAL 55 HA VAL 55 9.755 -0.432 -9.088 432 HB VAL 55 HB VAL 55 8.247 -0.759 -7.178 433 1HG1 VAL 55 1HG1 VAL 55 10.552 0.223 -6.994 434 2HG1 VAL 55 2HG1 VAL 55 9.430 0.903 -5.759 435 3HG1 VAL 55 3HG1 VAL 55 9.870 1.881 -7.205 436 1HG2 VAL 55 1HG2 VAL 55 6.314 0.669 -7.954 437 2HG2 VAL 55 2HG2 VAL 55 7.345 2.140 -7.799 438 3HG2 VAL 55 3HG2 VAL 55 6.917 1.182 -6.340 439 H ALA 56 H ALA 56 6.705 0.805 -10.510 440 HA ALA 56 HA ALA 56 5.440 -1.686 -10.919 441 1HB ALA 56 1HB ALA 56 4.078 -0.604 -12.647 442 2HB ALA 56 2HB ALA 56 5.241 0.763 -12.763 443 3HB ALA 56 3HB ALA 56 4.281 0.528 -11.264 444 H MET 57 H MET 57 7.659 0.134 -13.215 445 HA MET 57 HA MET 57 7.741 -1.938 -15.130 446 1HB MET 57 1HB MET 57 9.871 0.187 -14.746 447 2HB MET 57 2HB MET 57 9.604 -0.884 -16.171 448 1HG MET 57 1HG MET 57 7.886 1.453 -15.203 449 2HG MET 57 2HG MET 57 8.696 1.254 -16.740 450 1HE MET 57 1HE MET 57 6.484 2.389 -17.476 451 2HE MET 57 2HE MET 57 5.466 1.307 -18.484 452 3HE MET 57 3HE MET 57 7.248 1.310 -18.689 453 H ARG 58 H ARG 58 9.707 -1.695 -12.121 454 HA ARG 58 HA ARG 58 11.449 -3.861 -12.802 455 1HB ARG 58 1HB ARG 58 10.793 -2.325 -10.358 456 2HB ARG 58 2HB ARG 58 11.239 -4.019 -10.006 457 1HG ARG 58 1HG ARG 58 13.007 -2.455 -11.935 458 2HG ARG 58 2HG ARG 58 13.052 -2.041 -10.196 459 1HD ARG 58 1HD ARG 58 14.857 -3.634 -10.787 460 2HD ARG 58 2HD ARG 58 13.744 -4.311 -9.549 461 HE ARG 58 HE ARG 58 14.082 -5.187 -12.428 462 1HH1 ARG 58 1HH1 ARG 58 12.404 -5.740 -9.284 463 2HH1 ARG 58 2HH1 ARG 58 12.056 -7.387 -9.628 464 1HH2 ARG 58 1HH2 ARG 58 13.619 -7.413 -12.854 465 2HH2 ARG 58 2HH2 ARG 58 12.719 -8.342 -11.719 466 H ALA 59 H ALA 59 8.267 -4.002 -10.887 467 HA ALA 59 HA ALA 59 8.257 -6.865 -10.853 468 1HB ALA 59 1HB ALA 59 5.908 -4.898 -10.608 469 2HB ALA 59 2HB ALA 59 6.914 -5.518 -9.250 470 3HB ALA 59 3HB ALA 59 5.865 -6.651 -10.176 471 H LEU 60 H LEU 60 6.355 -4.593 -13.062 472 HA LEU 60 HA LEU 60 5.258 -6.809 -14.570 473 1HB LEU 60 1HB LEU 60 3.987 -4.711 -14.143 474 2HB LEU 60 2HB LEU 60 5.250 -3.769 -14.992 475 HG LEU 60 HG LEU 60 4.668 -4.952 -17.147 476 1HD1 LEU 60 1HD1 LEU 60 2.517 -6.183 -17.327 477 2HD1 LEU 60 2HD1 LEU 60 3.665 -7.057 -16.259 478 3HD1 LEU 60 3HD1 LEU 60 2.304 -6.115 -15.538 479 1HD2 LEU 60 1HD2 LEU 60 2.663 -3.648 -17.585 480 2HD2 LEU 60 2HD2 LEU 60 2.310 -3.498 -15.822 481 3HD2 LEU 60 3HD2 LEU 60 3.776 -2.715 -16.528 482 H GLY 61 H GLY 61 7.807 -4.279 -15.351 483 1HA GLY 61 1HA GLY 61 7.883 -4.760 -18.102 484 2HA GLY 61 2HA GLY 61 9.189 -4.062 -17.092 485 H PHE 62 H PHE 62 10.187 -6.129 -15.642 486 HA PHE 62 HA PHE 62 11.335 -8.005 -15.573 487 1HB PHE 62 1HB PHE 62 9.920 -9.033 -18.104 488 2HB PHE 62 2HB PHE 62 11.008 -9.995 -17.045 489 HD1 PHE 62 HD1 PHE 62 10.353 -9.952 -14.445 490 HD2 PHE 62 HD2 PHE 62 7.636 -9.272 -17.712 491 HE1 PHE 62 HE1 PHE 62 8.461 -10.689 -13.034 492 HE2 PHE 62 HE2 PHE 62 5.750 -10.012 -16.297 493 HZ PHE 62 HZ PHE 62 6.159 -10.726 -13.958 494 H GLU 63 H GLU 63 13.573 -8.299 -16.040 495 HA GLU 63 HA GLU 63 14.612 -6.595 -17.981 496 1HB GLU 63 1HB GLU 63 15.923 -8.767 -16.306 497 2HB GLU 63 2HB GLU 63 16.863 -7.706 -17.402 498 1HG GLU 63 1HG GLU 63 17.064 -6.699 -15.286 499 2HG GLU 63 2HG GLU 63 15.955 -5.667 -16.253 500 HA PRO 64 HA PRO 64 15.521 -10.347 -21.172 501 1HB PRO 64 1HB PRO 64 12.553 -9.854 -21.804 502 2HB PRO 64 2HB PRO 64 13.586 -11.205 -22.441 503 1HG PRO 64 1HG PRO 64 12.059 -11.680 -20.249 504 2HG PRO 64 2HG PRO 64 13.804 -12.172 -20.200 505 1HD PRO 64 1HD PRO 64 12.470 -9.731 -18.972 506 2HD PRO 64 2HD PRO 64 13.794 -10.763 -18.259 507 H LYS 65 H LYS 65 16.304 -9.672 -23.283 508 HA LYS 65 HA LYS 65 16.465 -6.781 -23.338 509 1HB LYS 65 1HB LYS 65 17.926 -8.777 -25.111 510 2HB LYS 65 2HB LYS 65 18.299 -7.025 -24.936 511 1HG LYS 65 1HG LYS 65 18.446 -9.148 -22.701 512 2HG LYS 65 2HG LYS 65 19.842 -8.493 -23.608 513 1HD LYS 65 1HD LYS 65 19.595 -6.291 -22.663 514 2HD LYS 65 2HD LYS 65 17.993 -6.651 -21.954 515 1HE LYS 65 1HE LYS 65 20.615 -7.998 -21.038 516 2HE LYS 65 2HE LYS 65 19.798 -6.600 -20.230 517 1HZ LYS 65 1HZ LYS 65 18.704 -9.337 -20.597 518 2HZ LYS 65 2HZ LYS 65 19.196 -8.596 -19.155 519 3HZ LYS 65 3HZ LYS 65 17.821 -8.027 -19.976 520 H LYS 66 H LYS 66 14.289 -6.331 -23.900 521 HA LYS 66 HA LYS 66 14.048 -5.767 -26.790 522 1HB LYS 66 1HB LYS 66 12.241 -7.439 -26.064 523 2HB LYS 66 2HB LYS 66 11.682 -6.244 -24.852 524 1HG LYS 66 1HG LYS 66 11.094 -4.647 -26.740 525 2HG LYS 66 2HG LYS 66 11.767 -5.838 -27.904 526 1HD LYS 66 1HD LYS 66 9.541 -6.391 -28.120 527 2HD LYS 66 2HD LYS 66 10.020 -7.514 -26.816 528 1HE LYS 66 1HE LYS 66 7.916 -6.621 -26.099 529 2HE LYS 66 2HE LYS 66 9.121 -5.676 -25.139 530 1HZ LYS 66 1HZ LYS 66 8.922 -3.951 -26.918 531 2HZ LYS 66 2HZ LYS 66 7.612 -4.818 -27.571 532 3HZ LYS 66 3HZ LYS 66 7.521 -4.198 -25.999 533 H GLU 67 H GLU 67 14.356 -3.426 -26.911 534 HA GLU 67 HA GLU 67 14.433 -1.949 -24.430 535 1HB GLU 67 1HB GLU 67 14.711 -0.936 -27.305 536 2HB GLU 67 2HB GLU 67 14.908 0.073 -25.825 537 1HG GLU 67 1HG GLU 67 16.807 -1.430 -25.082 538 2HG GLU 67 2HG GLU 67 16.711 -2.288 -26.668 539 H GLU 68 H GLU 68 12.283 -1.962 -23.593 540 HA GLU 68 HA GLU 68 10.305 -0.238 -25.004 541 1HB GLU 68 1HB GLU 68 9.778 -2.672 -24.877 542 2HB GLU 68 2HB GLU 68 9.832 -2.599 -23.090 543 1HG GLU 68 1HG GLU 68 7.834 -1.168 -23.015 544 2HG GLU 68 2HG GLU 68 7.891 -0.900 -24.805 545 H ILE 69 H ILE 69 11.014 -1.341 -21.510 546 HA ILE 69 HA ILE 69 9.585 0.735 -20.287 547 HB ILE 69 HB ILE 69 12.153 -0.808 -19.527 548 1HG1 ILE 69 1HG1 ILE 69 10.544 -2.453 -20.007 549 2HG1 ILE 69 2HG1 ILE 69 10.569 -2.299 -18.230 550 1HG2 ILE 69 1HG2 ILE 69 12.117 0.996 -17.957 551 2HG2 ILE 69 2HG2 ILE 69 11.455 -0.428 -17.110 552 3HG2 ILE 69 3HG2 ILE 69 10.344 0.866 -17.727 553 1HD1 ILE 69 1HD1 ILE 69 8.244 -2.530 -18.944 554 2HD1 ILE 69 2HD1 ILE 69 8.404 -1.231 -20.169 555 3HD1 ILE 69 3HD1 ILE 69 8.475 -0.825 -18.416 556 H LYS 70 H LYS 70 13.165 0.706 -21.032 557 HA LYS 70 HA LYS 70 13.943 3.245 -20.110 558 1HB LYS 70 1HB LYS 70 15.497 1.480 -20.877 559 2HB LYS 70 2HB LYS 70 14.725 1.464 -22.493 560 1HG LYS 70 1HG LYS 70 15.668 3.766 -22.949 561 2HG LYS 70 2HG LYS 70 16.542 3.684 -21.378 562 1HD LYS 70 1HD LYS 70 17.784 1.685 -22.154 563 2HD LYS 70 2HD LYS 70 16.747 1.573 -23.622 564 1HE LYS 70 1HE LYS 70 17.659 3.764 -24.459 565 2HE LYS 70 2HE LYS 70 18.764 3.843 -23.025 566 1HZ LYS 70 1HZ LYS 70 19.778 1.794 -23.762 567 2HZ LYS 70 2HZ LYS 70 19.818 2.945 -25.007 568 3HZ LYS 70 3HZ LYS 70 18.703 1.660 -25.075 569 H LYS 71 H LYS 71 12.667 2.366 -23.439 570 HA LYS 71 HA LYS 71 12.663 5.096 -24.356 571 1HB LYS 71 1HB LYS 71 11.442 2.580 -25.574 572 2HB LYS 71 2HB LYS 71 11.436 4.205 -26.357 573 1HG LYS 71 1HG LYS 71 13.918 4.302 -26.265 574 2HG LYS 71 2HG LYS 71 13.972 2.696 -25.459 575 1HD LYS 71 1HD LYS 71 12.957 1.638 -27.461 576 2HD LYS 71 2HD LYS 71 12.948 3.223 -28.320 577 1HE LYS 71 1HE LYS 71 15.417 3.346 -28.287 578 2HE LYS 71 2HE LYS 71 15.506 1.989 -27.103 579 1HZ LYS 71 1HZ LYS 71 14.286 0.745 -29.053 580 2HZ LYS 71 2HZ LYS 71 15.974 0.878 -28.892 581 3HZ LYS 71 3HZ LYS 71 15.128 1.892 -29.988 582 H MET 72 H MET 72 10.025 3.087 -22.736 583 HA MET 72 HA MET 72 7.922 4.936 -23.251 584 1HB MET 72 1HB MET 72 8.436 2.800 -21.196 585 2HB MET 72 2HB MET 72 7.417 4.135 -20.600 586 1HG MET 72 1HG MET 72 5.799 2.815 -21.292 587 2HG MET 72 2HG MET 72 5.970 3.821 -22.753 588 1HE MET 72 1HE MET 72 8.297 2.617 -24.529 589 2HE MET 72 2HE MET 72 6.611 2.907 -25.084 590 3HE MET 72 3HE MET 72 7.424 1.327 -25.391 591 H ILE 73 H ILE 73 10.214 4.912 -20.299 592 HA ILE 73 HA ILE 73 9.240 7.345 -19.263 593 HB ILE 73 HB ILE 73 12.065 6.233 -18.976 594 1HG1 ILE 73 1HG1 ILE 73 10.436 4.478 -18.377 595 2HG1 ILE 73 2HG1 ILE 73 11.282 5.108 -16.943 596 1HG2 ILE 73 1HG2 ILE 73 11.976 7.448 -16.740 597 2HG2 ILE 73 2HG2 ILE 73 10.430 8.221 -17.254 598 3HG2 ILE 73 3HG2 ILE 73 11.956 8.558 -18.150 599 1HD1 ILE 73 1HD1 ILE 73 9.251 6.471 -16.330 600 2HD1 ILE 73 2HD1 ILE 73 8.390 5.824 -17.777 601 3HD1 ILE 73 3HD1 ILE 73 8.888 4.715 -16.455 602 H SER 74 H SER 74 11.960 6.916 -21.666 603 HA SER 74 HA SER 74 12.586 9.709 -21.729 604 1HB SER 74 1HB SER 74 14.130 7.771 -22.328 605 2HB SER 74 2HB SER 74 13.212 7.585 -23.864 606 HG SER 74 HG SER 74 15.109 8.859 -24.025 607 H GLU 75 H GLU 75 10.407 7.745 -23.957 608 HA GLU 75 HA GLU 75 10.182 9.855 -25.903 609 1HB GLU 75 1HB GLU 75 10.154 7.372 -26.346 610 2HB GLU 75 2HB GLU 75 8.595 7.261 -25.468 611 1HG GLU 75 1HG GLU 75 7.523 8.690 -27.280 612 2HG GLU 75 2HG GLU 75 9.101 8.695 -28.159 613 H ILE 76 H ILE 76 8.087 8.634 -23.224 614 HA ILE 76 HA ILE 76 5.762 9.874 -24.285 615 HB ILE 76 HB ILE 76 4.405 8.905 -22.708 616 1HG1 ILE 76 1HG1 ILE 76 6.898 8.530 -20.972 617 2HG1 ILE 76 2HG1 ILE 76 5.375 9.378 -20.612 618 1HG2 ILE 76 1HG2 ILE 76 4.923 6.533 -23.088 619 2HG2 ILE 76 2HG2 ILE 76 6.632 6.920 -23.495 620 3HG2 ILE 76 3HG2 ILE 76 5.303 7.517 -24.541 621 1HD1 ILE 76 1HD1 ILE 76 5.410 7.284 -19.365 622 2HD1 ILE 76 2HD1 ILE 76 4.133 7.193 -20.631 623 3HD1 ILE 76 3HD1 ILE 76 5.701 6.324 -20.861 624 H ASP 77 H ASP 77 8.005 11.232 -21.907 625 HA ASP 77 HA ASP 77 5.951 13.321 -21.361 626 1HB ASP 77 1HB ASP 77 6.994 12.145 -19.296 627 2HB ASP 77 2HB ASP 77 8.534 12.968 -19.722 628 H LYS 78 H LYS 78 6.237 15.001 -22.826 629 HA LYS 78 HA LYS 78 8.982 15.774 -23.598 630 1HB LYS 78 1HB LYS 78 6.804 14.855 -25.263 631 2HB LYS 78 2HB LYS 78 7.097 16.559 -25.680 632 1HG LYS 78 1HG LYS 78 8.373 15.000 -27.109 633 2HG LYS 78 2HG LYS 78 9.464 16.089 -26.184 634 1HD LYS 78 1HD LYS 78 10.041 14.298 -24.618 635 2HD LYS 78 2HD LYS 78 8.814 13.192 -25.331 636 1HE LYS 78 1HE LYS 78 10.098 12.919 -27.375 637 2HE LYS 78 2HE LYS 78 11.163 14.332 -26.985 638 1HZ LYS 78 1HZ LYS 78 12.159 13.149 -25.246 639 2HZ LYS 78 2HZ LYS 78 11.069 11.867 -25.310 640 3HZ LYS 78 3HZ LYS 78 12.153 12.120 -26.593 641 H GLU 79 H GLU 79 7.667 16.883 -21.360 642 HA GLU 79 HA GLU 79 7.243 19.706 -22.163 643 1HB GLU 79 1HB GLU 79 5.655 18.215 -19.978 644 2HB GLU 79 2HB GLU 79 5.501 19.935 -20.457 645 1HG GLU 79 1HG GLU 79 3.729 19.152 -21.675 646 2HG GLU 79 2HG GLU 79 5.006 18.850 -22.905 647 H GLY 80 H GLY 80 7.878 17.529 -19.292 648 1HA GLY 80 1HA GLY 80 10.178 18.100 -18.360 649 2HA GLY 80 2HA GLY 80 9.382 19.662 -17.944 650 H THR 81 H THR 81 8.198 16.221 -17.686 651 HA THR 81 HA THR 81 7.832 16.566 -14.795 652 HB THR 81 HB THR 81 5.402 15.565 -15.185 653 HG1 THR 81 HG1 THR 81 5.783 15.591 -17.539 654 1HG2 THR 81 1HG2 THR 81 6.123 18.530 -15.613 655 2HG2 THR 81 2HG2 THR 81 4.541 17.867 -15.062 656 3HG2 THR 81 3HG2 THR 81 6.000 17.692 -14.023 657 H GLY 82 H GLY 82 6.015 13.939 -15.673 658 1HA GLY 82 1HA GLY 82 7.516 11.848 -16.319 659 2HA GLY 82 2HA GLY 82 8.019 12.164 -14.611 660 H LYS 83 H LYS 83 5.440 11.357 -16.770 661 HA LYS 83 HA LYS 83 3.722 10.247 -14.665 662 1HB LYS 83 1HB LYS 83 1.744 11.499 -15.612 663 2HB LYS 83 2HB LYS 83 2.962 12.567 -14.849 664 1HG LYS 83 1HG LYS 83 3.935 13.110 -17.092 665 2HG LYS 83 2HG LYS 83 2.721 12.047 -17.884 666 1HD LYS 83 1HD LYS 83 0.883 13.497 -16.975 667 2HD LYS 83 2HD LYS 83 2.112 14.603 -16.272 668 1HE LYS 83 1HE LYS 83 1.783 13.923 -19.288 669 2HE LYS 83 2HE LYS 83 1.238 15.448 -18.480 670 1HZ LYS 83 1HZ LYS 83 3.554 15.910 -17.937 671 2HZ LYS 83 2HZ LYS 83 4.075 14.506 -18.706 672 3HZ LYS 83 3HZ LYS 83 3.332 15.741 -19.607 673 H MET 84 H MET 84 1.994 8.841 -15.464 674 HA MET 84 HA MET 84 1.791 8.456 -18.345 675 1HB MET 84 1HB MET 84 3.541 6.815 -17.413 676 2HB MET 84 2HB MET 84 2.216 6.026 -16.499 677 1HG MET 84 1HG MET 84 1.102 5.437 -18.658 678 2HG MET 84 2HG MET 84 2.287 6.442 -19.550 679 1HE MET 84 1HE MET 84 3.559 3.200 -20.956 680 2HE MET 84 2HE MET 84 3.650 4.981 -21.158 681 3HE MET 84 3HE MET 84 2.061 4.189 -20.931 682 H ASN 85 H ASN 85 -0.472 8.198 -18.892 683 HA ASN 85 HA ASN 85 -2.270 7.457 -16.636 684 1HB ASN 85 1HB ASN 85 -4.207 8.209 -18.010 685 2HB ASN 85 2HB ASN 85 -3.072 9.495 -17.527 686 1HD2 ASN 85 1HD2 ASN 85 -2.136 10.782 -19.140 687 2HD2 ASN 85 2HD2 ASN 85 -2.218 10.444 -20.836 688 H PHE 86 H PHE 86 -4.229 6.118 -17.397 689 HA PHE 86 HA PHE 86 -3.261 3.644 -18.460 690 1HB PHE 86 1HB PHE 86 -5.176 4.002 -16.725 691 2HB PHE 86 2HB PHE 86 -6.241 4.337 -18.137 692 HD1 PHE 86 HD1 PHE 86 -7.430 2.430 -18.905 693 HD2 PHE 86 HD2 PHE 86 -3.600 1.841 -17.052 694 HE1 PHE 86 HE1 PHE 86 -7.714 -0.021 -19.084 695 HE2 PHE 86 HE2 PHE 86 -3.905 -0.598 -17.177 696 HZ PHE 86 HZ PHE 86 -5.952 -1.546 -18.224 697 H GLY 87 H GLY 87 -4.608 6.495 -20.199 698 1HA GLY 87 1HA GLY 87 -5.408 5.016 -22.558 699 2HA GLY 87 2HA GLY 87 -5.008 6.772 -22.404 700 H ASP 88 H ASP 88 -2.366 6.871 -21.657 701 HA ASP 88 HA ASP 88 -0.691 6.086 -23.741 702 1HB ASP 88 1HB ASP 88 0.220 6.255 -20.790 703 2HB ASP 88 2HB ASP 88 1.239 6.448 -22.260 704 H PHE 89 H PHE 89 -1.038 4.438 -20.477 705 HA PHE 89 HA PHE 89 0.760 2.413 -20.910 706 1HB PHE 89 1HB PHE 89 -0.482 3.201 -18.734 707 2HB PHE 89 2HB PHE 89 -1.751 2.011 -19.170 708 HD1 PHE 89 HD1 PHE 89 2.079 1.802 -19.369 709 HD2 PHE 89 HD2 PHE 89 -1.539 0.405 -17.504 710 HE1 PHE 89 HE1 PHE 89 3.396 0.341 -17.906 711 HE2 PHE 89 HE2 PHE 89 -0.199 -1.077 -16.047 712 HZ PHE 89 HZ PHE 89 2.268 -1.051 -16.196 713 H LEU 90 H LEU 90 -2.851 2.026 -21.361 714 HA LEU 90 HA LEU 90 -2.645 -0.622 -22.338 715 1HB LEU 90 1HB LEU 90 -4.708 0.425 -21.332 716 2HB LEU 90 2HB LEU 90 -4.885 1.416 -22.812 717 HG LEU 90 HG LEU 90 -5.183 -0.681 -24.167 718 1HD1 LEU 90 1HD1 LEU 90 -5.057 -2.155 -21.453 719 2HD1 LEU 90 2HD1 LEU 90 -5.613 -2.872 -23.014 720 3HD1 LEU 90 3HD1 LEU 90 -3.910 -2.336 -22.837 721 1HD2 LEU 90 1HD2 LEU 90 -7.103 -0.453 -21.763 722 2HD2 LEU 90 2HD2 LEU 90 -7.153 0.541 -23.267 723 3HD2 LEU 90 3HD2 LEU 90 -7.463 -1.233 -23.351 724 H THR 91 H THR 91 -2.916 2.541 -24.290 725 HA THR 91 HA THR 91 -2.922 1.124 -26.757 726 HB THR 91 HB THR 91 -2.631 3.180 -27.959 727 HG1 THR 91 HG1 THR 91 -1.255 4.316 -26.666 728 1HG2 THR 91 1HG2 THR 91 -4.597 3.435 -25.572 729 2HG2 THR 91 2HG2 THR 91 -4.719 4.270 -27.160 730 3HG2 THR 91 3HG2 THR 91 -4.883 2.478 -27.072 731 H VAL 92 H VAL 92 -0.116 2.756 -25.018 732 HA VAL 92 HA VAL 92 1.699 2.149 -27.108 733 HB VAL 92 HB VAL 92 1.950 3.922 -25.279 734 1HG1 VAL 92 1HG1 VAL 92 3.366 3.370 -23.373 735 2HG1 VAL 92 2HG1 VAL 92 1.928 2.287 -23.294 736 3HG1 VAL 92 3HG1 VAL 92 3.510 1.650 -23.868 737 1HG2 VAL 92 1HG2 VAL 92 3.493 3.513 -27.185 738 2HG2 VAL 92 2HG2 VAL 92 4.405 3.927 -25.687 739 3HG2 VAL 92 3HG2 VAL 92 4.327 2.213 -26.246 740 H MET 93 H MET 93 1.045 0.235 -24.024 741 HA MET 93 HA MET 93 2.909 -1.812 -24.708 742 1HB MET 93 1HB MET 93 0.475 -1.990 -22.872 743 2HB MET 93 2HB MET 93 1.752 -3.245 -23.027 744 1HG MET 93 1HG MET 93 2.165 -0.354 -22.048 745 2HG MET 93 2HG MET 93 2.070 -1.814 -21.029 746 1HE MET 93 1HE MET 93 4.219 -1.155 -19.803 747 2HE MET 93 2HE MET 93 4.285 0.338 -20.805 748 3HE MET 93 3HE MET 93 5.756 -0.674 -20.600 749 H THR 94 H THR 94 -0.716 -1.633 -25.562 750 HA THR 94 HA THR 94 -0.810 -4.150 -26.812 751 HB THR 94 HB THR 94 -2.211 -1.519 -27.497 752 HG1 THR 94 HG1 THR 94 -2.969 -3.802 -25.984 753 1HG2 THR 94 1HG2 THR 94 -3.025 -4.389 -28.264 754 2HG2 THR 94 2HG2 THR 94 -3.961 -2.894 -28.606 755 3HG2 THR 94 3HG2 THR 94 -2.401 -3.168 -29.446 756 H GLN 95 H GLN 95 -0.096 -0.961 -28.536 757 HA GLN 95 HA GLN 95 0.624 -2.006 -31.020 758 1HB GLN 95 1HB GLN 95 0.258 0.408 -30.457 759 2HB GLN 95 2HB GLN 95 1.743 0.397 -29.461 760 1HG GLN 95 1HG GLN 95 3.096 -0.081 -31.605 761 2HG GLN 95 2HG GLN 95 1.571 0.124 -32.542 762 1HE2 GLN 95 1HE2 GLN 95 0.370 2.280 -32.111 763 2HE2 GLN 95 2HE2 GLN 95 1.326 3.695 -31.816 764 H LYS 96 H LYS 96 3.022 -1.212 -28.297 765 HA LYS 96 HA LYS 96 5.181 -2.186 -29.958 766 1HB LYS 96 1HB LYS 96 5.266 -1.099 -27.119 767 2HB LYS 96 2HB LYS 96 6.694 -1.494 -28.141 768 1HG LYS 96 1HG LYS 96 5.858 0.132 -29.899 769 2HG LYS 96 2HG LYS 96 4.516 0.596 -28.797 770 1HD LYS 96 1HD LYS 96 6.168 1.337 -27.097 771 2HD LYS 96 2HD LYS 96 7.522 0.941 -28.219 772 1HE LYS 96 1HE LYS 96 6.672 2.676 -29.853 773 2HE LYS 96 2HE LYS 96 5.284 3.028 -28.750 774 1HZ LYS 96 1HZ LYS 96 6.985 3.616 -27.046 775 2HZ LYS 96 2HZ LYS 96 8.173 3.533 -28.249 776 3HZ LYS 96 3HZ LYS 96 6.937 4.665 -28.363 777 H MET 97 H MET 97 3.390 -3.829 -27.202 778 HA MET 97 HA MET 97 5.350 -5.970 -27.050 779 1HB MET 97 1HB MET 97 2.412 -5.882 -26.178 780 2HB MET 97 2HB MET 97 3.492 -7.277 -25.898 781 1HG MET 97 1HG MET 97 4.117 -4.474 -24.794 782 2HG MET 97 2HG MET 97 3.081 -5.669 -23.959 783 1HE MET 97 1HE MET 97 6.000 -6.028 -21.624 784 2HE MET 97 2HE MET 97 4.217 -6.003 -21.846 785 3HE MET 97 3HE MET 97 5.209 -4.582 -22.327 786 H SER 98 H SER 98 1.996 -5.762 -28.716 787 HA SER 98 HA SER 98 2.283 -8.513 -29.576 788 1HB SER 98 1HB SER 98 0.140 -6.483 -30.417 789 2HB SER 98 2HB SER 98 0.045 -8.286 -30.516 790 HG SER 98 HG SER 98 0.063 -6.574 -28.271 Start of MODEL 13 1 1H MET 1 1H MET 1 19.315 -14.768 -9.163 2 2H MET 1 2H MET 1 18.387 -14.620 -7.742 3 3H MET 1 3H MET 1 19.815 -13.714 -7.931 4 HA MET 1 HA MET 1 20.157 -15.516 -6.434 5 1HB MET 1 1HB MET 1 19.508 -17.310 -8.873 6 2HB MET 1 2HB MET 1 20.130 -17.886 -7.290 7 1HG MET 1 1HG MET 1 17.401 -16.575 -7.852 8 2HG MET 1 2HG MET 1 17.733 -18.295 -7.511 9 1HE MET 1 1HE MET 1 15.665 -17.156 -4.426 10 2HE MET 1 2HE MET 1 15.843 -18.314 -5.785 11 3HE MET 1 3HE MET 1 15.517 -16.578 -6.119 12 H ALA 2 H ALA 2 21.282 -16.784 -9.716 13 HA ALA 2 HA ALA 2 24.027 -16.201 -8.933 14 1HB ALA 2 1HB ALA 2 22.933 -17.514 -11.483 15 2HB ALA 2 2HB ALA 2 23.556 -18.379 -10.031 16 3HB ALA 2 3HB ALA 2 24.674 -17.379 -11.028 17 H SER 3 H SER 3 24.820 -14.111 -9.294 18 HA SER 3 HA SER 3 23.741 -12.348 -11.251 19 1HB SER 3 1HB SER 3 24.848 -11.637 -9.090 20 2HB SER 3 2HB SER 3 26.442 -12.093 -9.793 21 HG SER 3 HG SER 3 25.923 -9.880 -10.002 22 H ASN 4 H ASN 4 27.151 -13.813 -11.232 23 HA ASN 4 HA ASN 4 27.239 -13.479 -14.150 24 1HB ASN 4 1HB ASN 4 29.308 -12.962 -12.749 25 2HB ASN 4 2HB ASN 4 29.404 -14.708 -12.342 26 1HD2 ASN 4 1HD2 ASN 4 29.037 -12.530 -15.269 27 2HD2 ASN 4 2HD2 ASN 4 30.108 -13.433 -16.287 28 H PHE 5 H PHE 5 25.426 -14.998 -14.607 29 HA PHE 5 HA PHE 5 25.722 -17.783 -13.855 30 1HB PHE 5 1HB PHE 5 23.618 -18.206 -15.171 31 2HB PHE 5 2HB PHE 5 23.467 -17.043 -13.816 32 HD1 PHE 5 HD1 PHE 5 22.993 -17.512 -17.386 33 HD2 PHE 5 HD2 PHE 5 23.398 -14.557 -14.286 34 HE1 PHE 5 HE1 PHE 5 21.934 -15.826 -18.847 35 HE2 PHE 5 HE2 PHE 5 22.379 -12.869 -15.763 36 HZ PHE 5 HZ PHE 5 21.643 -13.495 -18.050 37 H LYS 6 H LYS 6 27.878 -18.119 -14.870 38 HA LYS 6 HA LYS 6 28.116 -17.822 -17.719 39 1HB LYS 6 1HB LYS 6 29.889 -17.317 -15.970 40 2HB LYS 6 2HB LYS 6 30.174 -19.080 -15.846 41 1HG LYS 6 1HG LYS 6 30.794 -19.120 -18.292 42 2HG LYS 6 2HG LYS 6 30.399 -17.368 -18.413 43 1HD LYS 6 1HD LYS 6 32.178 -16.851 -16.729 44 2HD LYS 6 2HD LYS 6 32.590 -18.603 -16.633 45 1HE LYS 6 1HE LYS 6 33.234 -18.591 -19.072 46 2HE LYS 6 2HE LYS 6 32.808 -16.834 -19.176 47 1HZ LYS 6 1HZ LYS 6 34.505 -16.385 -17.530 48 2HZ LYS 6 2HZ LYS 6 34.909 -18.031 -17.440 49 3HZ LYS 6 3HZ LYS 6 35.151 -17.175 -18.884 50 H LYS 7 H LYS 7 26.270 -19.495 -18.114 51 HA LYS 7 HA LYS 7 27.544 -21.774 -19.321 52 1HB LYS 7 1HB LYS 7 27.023 -22.740 -17.055 53 2HB LYS 7 2HB LYS 7 25.295 -22.333 -17.279 54 1HG LYS 7 1HG LYS 7 25.218 -23.890 -19.267 55 2HG LYS 7 2HG LYS 7 26.967 -24.248 -19.036 56 1HD LYS 7 1HD LYS 7 26.466 -25.142 -16.738 57 2HD LYS 7 2HD LYS 7 24.716 -24.853 -17.006 58 1HE LYS 7 1HE LYS 7 26.525 -26.762 -18.659 59 2HE LYS 7 2HE LYS 7 25.339 -27.258 -17.384 60 1HZ LYS 7 1HZ LYS 7 23.579 -26.329 -18.737 61 2HZ LYS 7 2HZ LYS 7 24.455 -27.511 -19.585 62 3HZ LYS 7 3HZ LYS 7 24.693 -25.869 -19.934 63 H ALA 8 H ALA 8 24.032 -21.039 -18.408 64 HA ALA 8 HA ALA 8 23.346 -21.057 -21.274 65 1HB ALA 8 1HB ALA 8 21.879 -22.375 -19.761 66 2HB ALA 8 2HB ALA 8 20.978 -21.019 -20.529 67 3HB ALA 8 3HB ALA 8 21.519 -20.887 -18.813 68 H ASN 9 H ASN 9 24.614 -18.922 -21.560 69 HA ASN 9 HA ASN 9 23.445 -16.537 -20.379 70 1HB ASN 9 1HB ASN 9 25.684 -16.871 -22.458 71 2HB ASN 9 2HB ASN 9 25.149 -15.279 -21.800 72 1HD2 ASN 9 1HD2 ASN 9 25.177 -15.032 -19.355 73 2HD2 ASN 9 2HD2 ASN 9 26.334 -15.920 -18.424 74 H MET 10 H MET 10 23.830 -17.471 -23.950 75 HA MET 10 HA MET 10 21.618 -15.671 -24.623 76 1HB MET 10 1HB MET 10 23.169 -17.613 -26.420 77 2HB MET 10 2HB MET 10 21.975 -16.388 -26.969 78 1HG MET 10 1HG MET 10 24.684 -15.842 -25.605 79 2HG MET 10 2HG MET 10 24.307 -15.659 -27.342 80 1HE MET 10 1HE MET 10 24.958 -12.015 -26.112 81 2HE MET 10 2HE MET 10 25.398 -13.326 -27.258 82 3HE MET 10 3HE MET 10 25.715 -13.525 -25.499 83 H ALA 11 H ALA 11 20.045 -16.864 -23.192 84 HA ALA 11 HA ALA 11 19.267 -19.560 -24.060 85 1HB ALA 11 1HB ALA 11 18.328 -17.907 -21.648 86 2HB ALA 11 2HB ALA 11 19.653 -19.124 -21.638 87 3HB ALA 11 3HB ALA 11 17.960 -19.647 -21.957 88 H SER 12 H SER 12 17.493 -16.349 -23.599 89 HA SER 12 HA SER 12 14.981 -17.558 -24.260 90 1HB SER 12 1HB SER 12 15.682 -14.577 -24.002 91 2HB SER 12 2HB SER 12 14.025 -15.297 -23.978 92 HG SER 12 HG SER 12 14.856 -14.903 -21.907 93 H SER 13 H SER 13 15.192 -18.400 -26.480 94 HA SER 13 HA SER 13 15.828 -16.618 -28.652 95 1HB SER 13 1HB SER 13 15.205 -18.547 -30.144 96 2HB SER 13 2HB SER 13 16.429 -18.963 -28.892 97 HG SER 13 HG SER 13 13.644 -19.367 -28.620 98 H SER 14 H SER 14 14.227 -14.878 -28.353 99 HA SER 14 HA SER 14 11.447 -15.426 -28.268 100 1HB SER 14 1HB SER 14 12.620 -13.452 -27.201 101 2HB SER 14 2HB SER 14 12.832 -12.740 -28.838 102 HG SER 14 HG SER 14 10.466 -13.212 -27.359 103 H GLN 15 H GLN 15 13.346 -13.900 -31.053 104 HA GLN 15 HA GLN 15 10.967 -13.913 -32.729 105 1HB GLN 15 1HB GLN 15 13.869 -13.191 -33.346 106 2HB GLN 15 2HB GLN 15 12.509 -13.045 -34.516 107 1HG GLN 15 1HG GLN 15 11.348 -11.405 -33.067 108 2HG GLN 15 2HG GLN 15 12.561 -11.632 -31.761 109 1HE2 GLN 15 1HE2 GLN 15 12.773 -11.036 -35.376 110 2HE2 GLN 15 2HE2 GLN 15 13.879 -9.711 -35.244 111 H ARG 16 H ARG 16 10.467 -16.191 -32.688 112 HA ARG 16 HA ARG 16 12.153 -17.916 -34.427 113 1HB ARG 16 1HB ARG 16 12.498 -18.223 -31.917 114 2HB ARG 16 2HB ARG 16 10.808 -18.798 -31.799 115 1HG ARG 16 1HG ARG 16 11.353 -20.753 -33.213 116 2HG ARG 16 2HG ARG 16 12.967 -20.052 -33.612 117 1HD ARG 16 1HD ARG 16 13.656 -20.189 -31.208 118 2HD ARG 16 2HD ARG 16 12.065 -20.963 -30.785 119 HE ARG 16 HE ARG 16 13.041 -22.557 -32.835 120 1HH1 ARG 16 1HH1 ARG 16 14.478 -21.438 -29.703 121 2HH1 ARG 16 2HH1 ARG 16 15.392 -22.862 -29.476 122 1HH2 ARG 16 1HH2 ARG 16 14.351 -24.483 -32.486 123 2HH2 ARG 16 2HH2 ARG 16 15.337 -24.623 -31.091 124 H LYS 17 H LYS 17 8.835 -17.739 -32.844 125 HA LYS 17 HA LYS 17 6.816 -17.904 -33.646 126 1HB LYS 17 1HB LYS 17 7.656 -16.476 -35.501 127 2HB LYS 17 2HB LYS 17 7.933 -17.954 -36.478 128 1HG LYS 17 1HG LYS 17 5.471 -18.453 -36.407 129 2HG LYS 17 2HG LYS 17 5.205 -16.964 -35.429 130 1HD LYS 17 1HD LYS 17 6.136 -15.575 -37.308 131 2HD LYS 17 2HD LYS 17 6.487 -17.067 -38.236 132 1HE LYS 17 1HE LYS 17 4.465 -15.994 -39.131 133 2HE LYS 17 2HE LYS 17 4.023 -17.584 -38.388 134 1HZ LYS 17 1HZ LYS 17 2.547 -15.666 -37.896 135 2HZ LYS 17 2HZ LYS 17 3.115 -16.508 -36.539 136 3HZ LYS 17 3HZ LYS 17 3.783 -14.991 -36.950 137 H ARG 18 H ARG 18 5.887 -19.761 -32.928 138 HA ARG 18 HA ARG 18 5.521 -21.899 -34.912 139 1HB ARG 18 1HB ARG 18 7.120 -22.865 -33.229 140 2HB ARG 18 2HB ARG 18 5.990 -22.444 -31.907 141 1HG ARG 18 1HG ARG 18 4.264 -23.982 -32.952 142 2HG ARG 18 2HG ARG 18 5.450 -24.389 -34.246 143 1HD ARG 18 1HD ARG 18 6.993 -25.386 -32.521 144 2HD ARG 18 2HD ARG 18 5.809 -24.935 -31.211 145 HE ARG 18 HE ARG 18 4.474 -26.463 -33.272 146 1HH1 ARG 18 1HH1 ARG 18 6.839 -26.878 -30.605 147 2HH1 ARG 18 2HH1 ARG 18 6.441 -28.520 -30.308 148 1HH2 ARG 18 1HH2 ARG 18 3.934 -28.724 -32.852 149 2HH2 ARG 18 2HH2 ARG 18 4.747 -29.595 -31.621 150 H MET 19 H MET 19 4.285 -21.435 -31.475 151 HA MET 19 HA MET 19 1.547 -21.140 -32.413 152 1HB MET 19 1HB MET 19 2.729 -20.739 -29.607 153 2HB MET 19 2HB MET 19 0.978 -20.748 -30.018 154 1HG MET 19 1HG MET 19 1.175 -23.106 -30.818 155 2HG MET 19 2HG MET 19 2.919 -23.113 -30.415 156 1HE MET 19 1HE MET 19 2.648 -25.285 -29.123 157 2HE MET 19 2HE MET 19 0.895 -25.299 -29.523 158 3HE MET 19 3HE MET 19 1.434 -25.584 -27.834 159 H SER 20 H SER 20 0.900 -19.187 -33.317 160 HA SER 20 HA SER 20 2.624 -16.867 -32.996 161 1HB SER 20 1HB SER 20 0.248 -17.339 -34.861 162 2HB SER 20 2HB SER 20 1.335 -15.897 -34.886 163 HG SER 20 HG SER 20 2.069 -18.622 -35.255 164 HA PRO 21 HA PRO 21 -0.433 -14.950 -30.137 165 1HB PRO 21 1HB PRO 21 1.418 -12.535 -30.617 166 2HB PRO 21 2HB PRO 21 0.705 -13.082 -29.048 167 1HG PRO 21 1HG PRO 21 3.301 -13.663 -29.623 168 2HG PRO 21 2HG PRO 21 2.239 -14.970 -28.947 169 1HD PRO 21 1HD PRO 21 3.007 -14.505 -31.891 170 2HD PRO 21 2HD PRO 21 2.988 -16.056 -30.930 171 H LYS 22 H LYS 22 -2.139 -13.328 -30.134 172 HA LYS 22 HA LYS 22 -2.857 -12.197 -32.718 173 1HB LYS 22 1HB LYS 22 -4.175 -11.861 -29.968 174 2HB LYS 22 2HB LYS 22 -4.804 -11.164 -31.500 175 1HG LYS 22 1HG LYS 22 -4.987 -13.493 -32.455 176 2HG LYS 22 2HG LYS 22 -4.594 -14.162 -30.832 177 1HD LYS 22 1HD LYS 22 -6.906 -12.213 -31.449 178 2HD LYS 22 2HD LYS 22 -7.095 -14.003 -31.405 179 1HE LYS 22 1HE LYS 22 -6.637 -14.105 -29.010 180 2HE LYS 22 2HE LYS 22 -6.064 -12.388 -28.975 181 1HZ LYS 22 1HZ LYS 22 -8.859 -13.134 -29.660 182 2HZ LYS 22 2HZ LYS 22 -8.174 -11.586 -29.354 183 3HZ LYS 22 3HZ LYS 22 -8.291 -12.703 -28.108 184 HA PRO 23 HA PRO 23 -1.152 -8.038 -31.394 185 1HB PRO 23 1HB PRO 23 -2.276 -6.345 -33.258 186 2HB PRO 23 2HB PRO 23 -0.984 -7.528 -33.683 187 1HG PRO 23 1HG PRO 23 -4.015 -7.878 -34.023 188 2HG PRO 23 2HG PRO 23 -2.718 -8.137 -35.265 189 1HD PRO 23 1HD PRO 23 -3.794 -10.215 -33.737 190 2HD PRO 23 2HD PRO 23 -2.036 -10.206 -34.227 191 H GLU 24 H GLU 24 -2.381 -8.427 -29.500 192 HA GLU 24 HA GLU 24 -4.484 -6.601 -28.752 193 1HB GLU 24 1HB GLU 24 -5.672 -8.549 -29.967 194 2HB GLU 24 2HB GLU 24 -4.902 -9.667 -28.801 195 1HG GLU 24 1HG GLU 24 -6.229 -8.456 -26.932 196 2HG GLU 24 2HG GLU 24 -7.072 -7.534 -28.234 197 H LEU 25 H LEU 25 -4.581 -6.544 -26.305 198 HA LEU 25 HA LEU 25 -2.532 -8.129 -24.863 199 1HB LEU 25 1HB LEU 25 -4.624 -6.149 -23.776 200 2HB LEU 25 2HB LEU 25 -3.375 -6.982 -22.792 201 HG LEU 25 HG LEU 25 -2.800 -5.023 -25.080 202 1HD1 LEU 25 1HD1 LEU 25 -2.749 -4.512 -22.033 203 2HD1 LEU 25 2HD1 LEU 25 -2.231 -3.351 -23.313 204 3HD1 LEU 25 3HD1 LEU 25 -3.955 -3.863 -23.209 205 1HD2 LEU 25 1HD2 LEU 25 -0.895 -6.610 -24.666 206 2HD2 LEU 25 2HD2 LEU 25 -0.485 -4.917 -24.231 207 3HD2 LEU 25 3HD2 LEU 25 -0.866 -6.095 -22.933 208 H THR 26 H THR 26 -3.206 -10.298 -24.588 209 HA THR 26 HA THR 26 -5.907 -10.952 -25.088 210 HB THR 26 HB THR 26 -4.822 -13.398 -24.429 211 HG1 THR 26 HG1 THR 26 -2.771 -12.596 -23.952 212 1HG2 THR 26 1HG2 THR 26 -4.394 -13.499 -26.888 213 2HG2 THR 26 2HG2 THR 26 -4.495 -11.700 -26.996 214 3HG2 THR 26 3HG2 THR 26 -5.952 -12.661 -26.539 215 H GLU 27 H GLU 27 -4.327 -12.587 -22.273 216 HA GLU 27 HA GLU 27 -6.703 -11.885 -20.621 217 1HB GLU 27 1HB GLU 27 -5.462 -14.692 -20.908 218 2HB GLU 27 2HB GLU 27 -6.698 -14.216 -19.686 219 1HG GLU 27 1HG GLU 27 -8.302 -13.657 -21.557 220 2HG GLU 27 2HG GLU 27 -7.070 -14.199 -22.758 221 H GLU 28 H GLU 28 -3.565 -13.690 -20.478 222 HA GLU 28 HA GLU 28 -2.711 -12.901 -17.953 223 1HB GLU 28 1HB GLU 28 -0.488 -13.667 -18.624 224 2HB GLU 28 2HB GLU 28 -1.760 -14.799 -19.170 225 1HG GLU 28 1HG GLU 28 -0.129 -12.855 -20.916 226 2HG GLU 28 2HG GLU 28 -0.067 -14.646 -20.908 227 H GLN 29 H GLN 29 -1.853 -11.331 -21.150 228 HA GLN 29 HA GLN 29 -0.398 -9.157 -20.004 229 1HB GLN 29 1HB GLN 29 -1.971 -9.269 -22.636 230 2HB GLN 29 2HB GLN 29 -0.735 -8.032 -22.203 231 1HG GLN 29 1HG GLN 29 1.052 -9.759 -22.191 232 2HG GLN 29 2HG GLN 29 -0.160 -11.047 -22.547 233 1HE2 GLN 29 1HE2 GLN 29 1.951 -8.736 -24.029 234 2HE2 GLN 29 2HE2 GLN 29 1.217 -8.693 -25.604 235 H LYS 30 H LYS 30 -3.867 -9.374 -21.062 236 HA LYS 30 HA LYS 30 -4.723 -6.779 -20.538 237 1HB LYS 30 1HB LYS 30 -5.887 -8.675 -21.748 238 2HB LYS 30 2HB LYS 30 -6.312 -9.386 -20.166 239 1HG LYS 30 1HG LYS 30 -7.719 -7.380 -19.651 240 2HG LYS 30 2HG LYS 30 -7.148 -6.586 -21.167 241 1HD LYS 30 1HD LYS 30 -8.085 -8.485 -22.508 242 2HD LYS 30 2HD LYS 30 -8.724 -9.231 -21.001 243 1HE LYS 30 1HE LYS 30 -10.231 -7.243 -20.645 244 2HE LYS 30 2HE LYS 30 -9.549 -6.459 -22.132 245 1HZ LYS 30 1HZ LYS 30 -10.353 -8.325 -23.416 246 2HZ LYS 30 2HZ LYS 30 -11.620 -7.567 -22.575 247 3HZ LYS 30 3HZ LYS 30 -11.004 -9.053 -22.029 248 H GLN 31 H GLN 31 -5.003 -9.616 -18.159 249 HA GLN 31 HA GLN 31 -5.775 -7.938 -16.003 250 1HB GLN 31 1HB GLN 31 -5.448 -9.744 -14.475 251 2HB GLN 31 2HB GLN 31 -6.240 -10.319 -15.968 252 1HG GLN 31 1HG GLN 31 -4.780 -12.058 -15.566 253 2HG GLN 31 2HG GLN 31 -3.829 -11.082 -16.737 254 1HE2 GLN 31 1HE2 GLN 31 -1.674 -11.098 -16.114 255 2HE2 GLN 31 2HE2 GLN 31 -1.087 -11.065 -14.481 256 H GLU 32 H GLU 32 -2.356 -8.752 -17.128 257 HA GLU 32 HA GLU 32 -1.111 -7.687 -14.800 258 1HB GLU 32 1HB GLU 32 0.047 -9.086 -16.524 259 2HB GLU 32 2HB GLU 32 0.038 -7.681 -17.641 260 1HG GLU 32 1HG GLU 32 1.470 -6.383 -16.051 261 2HG GLU 32 2HG GLU 32 1.340 -7.701 -14.825 262 H ILE 33 H ILE 33 -1.912 -5.869 -17.962 263 HA ILE 33 HA ILE 33 -1.051 -3.337 -16.916 264 HB ILE 33 HB ILE 33 -2.823 -4.268 -19.201 265 1HG1 ILE 33 1HG1 ILE 33 -1.080 -2.821 -20.484 266 2HG1 ILE 33 2HG1 ILE 33 -0.132 -2.779 -18.970 267 1HG2 ILE 33 1HG2 ILE 33 -2.488 -1.354 -18.301 268 2HG2 ILE 33 2HG2 ILE 33 -2.969 -1.836 -19.960 269 3HG2 ILE 33 3HG2 ILE 33 -4.023 -2.261 -18.574 270 1HD1 ILE 33 1HD1 ILE 33 0.072 -5.314 -19.081 271 2HD1 ILE 33 2HD1 ILE 33 0.671 -4.529 -20.580 272 3HD1 ILE 33 3HD1 ILE 33 -0.950 -5.308 -20.569 273 H ARG 34 H ARG 34 -4.427 -4.887 -16.846 274 HA ARG 34 HA ARG 34 -5.810 -2.864 -15.552 275 1HB ARG 34 1HB ARG 34 -6.435 -5.389 -16.337 276 2HB ARG 34 2HB ARG 34 -6.258 -5.735 -14.605 277 1HG ARG 34 1HG ARG 34 -8.207 -3.867 -16.062 278 2HG ARG 34 2HG ARG 34 -8.590 -5.367 -15.161 279 1HD ARG 34 1HD ARG 34 -7.701 -2.660 -13.943 280 2HD ARG 34 2HD ARG 34 -9.377 -3.349 -13.967 281 HE ARG 34 HE ARG 34 -7.525 -5.203 -12.635 282 1HH1 ARG 34 1HH1 ARG 34 -9.196 -2.038 -12.205 283 2HH1 ARG 34 2HH1 ARG 34 -8.786 -1.901 -10.544 284 1HH2 ARG 34 1HH2 ARG 34 -7.130 -5.069 -10.305 285 2HH2 ARG 34 2HH2 ARG 34 -7.593 -3.642 -9.457 286 H GLU 35 H GLU 35 -4.016 -5.607 -13.848 287 HA GLU 35 HA GLU 35 -4.442 -4.454 -11.291 288 1HB GLU 35 1HB GLU 35 -2.377 -6.608 -11.924 289 2HB GLU 35 2HB GLU 35 -3.041 -6.145 -10.317 290 1HG GLU 35 1HG GLU 35 -4.410 -7.702 -12.573 291 2HG GLU 35 2HG GLU 35 -4.181 -8.150 -10.861 292 H ALA 36 H ALA 36 -1.426 -4.245 -13.440 293 HA ALA 36 HA ALA 36 0.187 -2.977 -11.540 294 1HB ALA 36 1HB ALA 36 1.476 -2.031 -13.466 295 2HB ALA 36 2HB ALA 36 1.065 -3.765 -13.722 296 3HB ALA 36 3HB ALA 36 0.126 -2.492 -14.574 297 H PHE 37 H PHE 37 -1.894 -1.211 -14.027 298 HA PHE 37 HA PHE 37 -1.338 1.360 -12.977 299 1HB PHE 37 1HB PHE 37 -2.493 0.616 -15.247 300 2HB PHE 37 2HB PHE 37 -4.023 0.626 -14.315 301 HD1 PHE 37 HD1 PHE 37 -4.736 2.855 -13.207 302 HD2 PHE 37 HD2 PHE 37 -1.427 2.587 -15.943 303 HE1 PHE 37 HE1 PHE 37 -4.784 5.307 -13.517 304 HE2 PHE 37 HE2 PHE 37 -1.542 5.016 -16.321 305 HZ PHE 37 HZ PHE 37 -3.169 6.386 -15.067 306 H ASP 38 H ASP 38 -4.178 -0.900 -12.128 307 HA ASP 38 HA ASP 38 -5.363 0.824 -10.207 308 1HB ASP 38 1HB ASP 38 -6.256 -1.309 -11.330 309 2HB ASP 38 2HB ASP 38 -5.213 -2.256 -10.229 310 H LEU 39 H LEU 39 -2.673 -1.672 -9.679 311 HA LEU 39 HA LEU 39 -2.495 -1.514 -6.922 312 1HB LEU 39 1HB LEU 39 -0.378 -1.966 -9.061 313 2HB LEU 39 2HB LEU 39 0.095 -1.891 -7.334 314 HG LEU 39 HG LEU 39 -2.056 -3.822 -8.349 315 1HD1 LEU 39 1HD1 LEU 39 -0.311 -5.596 -8.367 316 2HD1 LEU 39 2HD1 LEU 39 0.058 -4.300 -9.562 317 3HD1 LEU 39 3HD1 LEU 39 0.961 -4.368 -8.001 318 1HD2 LEU 39 1HD2 LEU 39 -1.551 -5.068 -6.249 319 2HD2 LEU 39 2HD2 LEU 39 -0.372 -3.792 -5.764 320 3HD2 LEU 39 3HD2 LEU 39 -2.127 -3.401 -5.900 321 H PHE 40 H PHE 40 -0.822 0.697 -9.283 322 HA PHE 40 HA PHE 40 0.081 2.394 -7.095 323 1HB PHE 40 1HB PHE 40 0.403 2.745 -10.106 324 2HB PHE 40 2HB PHE 40 1.175 3.783 -8.829 325 HD1 PHE 40 HD1 PHE 40 2.470 2.471 -6.930 326 HD2 PHE 40 HD2 PHE 40 1.540 0.751 -10.757 327 HE1 PHE 40 HE1 PHE 40 4.175 0.724 -6.562 328 HE2 PHE 40 HE2 PHE 40 3.212 -1.020 -10.367 329 HZ PHE 40 HZ PHE 40 4.547 -1.034 -8.276 330 H ASP 41 H ASP 41 -2.570 2.731 -9.624 331 HA ASP 41 HA ASP 41 -3.485 5.216 -8.394 332 1HB ASP 41 1HB ASP 41 -3.624 4.581 -10.903 333 2HB ASP 41 2HB ASP 41 -4.942 3.453 -10.466 334 H ALA 42 H ALA 42 -3.653 4.158 -6.140 335 HA ALA 42 HA ALA 42 -5.276 1.872 -5.748 336 1HB ALA 42 1HB ALA 42 -3.401 2.474 -4.234 337 2HB ALA 42 2HB ALA 42 -4.929 2.231 -3.313 338 3HB ALA 42 3HB ALA 42 -4.330 3.902 -3.645 339 H ASP 43 H ASP 43 -6.118 5.331 -4.888 340 HA ASP 43 HA ASP 43 -8.723 4.518 -3.876 341 1HB ASP 43 1HB ASP 43 -7.476 7.305 -4.232 342 2HB ASP 43 2HB ASP 43 -9.045 6.976 -3.405 343 H GLY 44 H GLY 44 -7.694 5.358 -7.126 344 1HA GLY 44 1HA GLY 44 -9.085 5.490 -8.953 345 2HA GLY 44 2HA GLY 44 -10.445 6.065 -7.923 346 H THR 45 H THR 45 -7.391 6.982 -9.545 347 HA THR 45 HA THR 45 -7.990 9.851 -9.030 348 HB THR 45 HB THR 45 -5.292 9.946 -9.413 349 HG1 THR 45 HG1 THR 45 -5.144 7.641 -9.362 350 1HG2 THR 45 1HG2 THR 45 -6.856 9.441 -6.789 351 2HG2 THR 45 2HG2 THR 45 -6.664 11.033 -7.618 352 3HG2 THR 45 3HG2 THR 45 -5.225 10.202 -6.922 353 H GLY 46 H GLY 46 -5.905 8.005 -11.471 354 1HA GLY 46 1HA GLY 46 -6.910 8.695 -13.815 355 2HA GLY 46 2HA GLY 46 -6.319 10.300 -13.254 356 H THR 47 H THR 47 -3.853 9.898 -12.182 357 HA THR 47 HA THR 47 -2.334 8.681 -14.395 358 HB THR 47 HB THR 47 -0.537 10.320 -14.090 359 HG1 THR 47 HG1 THR 47 -0.665 11.211 -12.199 360 1HG2 THR 47 1HG2 THR 47 -3.329 11.554 -14.641 361 2HG2 THR 47 2HG2 THR 47 -1.738 12.186 -15.209 362 3HG2 THR 47 3HG2 THR 47 -2.346 10.604 -15.818 363 H ILE 48 H ILE 48 -0.560 7.471 -14.034 364 HA ILE 48 HA ILE 48 0.288 6.910 -11.231 365 HB ILE 48 HB ILE 48 -0.355 4.839 -12.341 366 1HG1 ILE 48 1HG1 ILE 48 2.711 5.204 -12.221 367 2HG1 ILE 48 2HG1 ILE 48 1.621 4.729 -10.885 368 1HG2 ILE 48 1HG2 ILE 48 -0.107 5.749 -14.740 369 2HG2 ILE 48 2HG2 ILE 48 1.655 5.439 -14.598 370 3HG2 ILE 48 3HG2 ILE 48 0.486 4.083 -14.481 371 1HD1 ILE 48 1HD1 ILE 48 2.289 3.110 -13.447 372 2HD1 ILE 48 2HD1 ILE 48 1.031 2.619 -12.252 373 3HD1 ILE 48 3HD1 ILE 48 2.763 2.735 -11.757 374 H ASP 49 H ASP 49 2.131 8.036 -10.696 375 HA ASP 49 HA ASP 49 3.476 9.505 -12.859 376 1HB ASP 49 1HB ASP 49 3.063 10.081 -9.900 377 2HB ASP 49 2HB ASP 49 4.332 10.943 -10.839 378 H VAL 50 H VAL 50 5.608 10.093 -12.691 379 HA VAL 50 HA VAL 50 7.289 8.434 -13.478 380 HB VAL 50 HB VAL 50 7.465 10.839 -13.351 381 1HG1 VAL 50 1HG1 VAL 50 7.019 11.141 -10.883 382 2HG1 VAL 50 2HG1 VAL 50 8.434 12.060 -11.498 383 3HG1 VAL 50 3HG1 VAL 50 8.699 10.568 -10.540 384 1HG2 VAL 50 1HG2 VAL 50 10.074 9.397 -12.589 385 2HG2 VAL 50 2HG2 VAL 50 9.351 9.664 -14.245 386 3HG2 VAL 50 3HG2 VAL 50 9.942 11.056 -13.285 387 H LYS 51 H LYS 51 7.541 8.873 -9.849 388 HA LYS 51 HA LYS 51 9.499 6.905 -9.384 389 1HB LYS 51 1HB LYS 51 7.199 7.593 -7.486 390 2HB LYS 51 2HB LYS 51 8.794 6.911 -7.047 391 1HG LYS 51 1HG LYS 51 9.888 9.062 -7.625 392 2HG LYS 51 2HG LYS 51 8.348 9.705 -8.297 393 1HD LYS 51 1HD LYS 51 7.250 9.417 -6.067 394 2HD LYS 51 2HD LYS 51 8.851 8.988 -5.358 395 1HE LYS 51 1HE LYS 51 9.746 11.252 -5.972 396 2HE LYS 51 2HE LYS 51 8.192 11.654 -6.811 397 1HZ LYS 51 1HZ LYS 51 8.504 11.073 -3.909 398 2HZ LYS 51 2HZ LYS 51 8.303 12.601 -4.622 399 3HZ LYS 51 3HZ LYS 51 7.057 11.453 -4.712 400 H GLU 52 H GLU 52 5.934 6.559 -8.869 401 HA GLU 52 HA GLU 52 5.825 3.778 -8.479 402 1HB GLU 52 1HB GLU 52 3.540 5.437 -9.690 403 2HB GLU 52 2HB GLU 52 3.459 3.988 -8.654 404 1HG GLU 52 1HG GLU 52 2.878 5.607 -7.107 405 2HG GLU 52 2HG GLU 52 4.660 5.601 -6.840 406 H LEU 53 H LEU 53 5.340 5.722 -11.589 407 HA LEU 53 HA LEU 53 4.727 3.548 -13.265 408 1HB LEU 53 1HB LEU 53 4.562 5.977 -13.876 409 2HB LEU 53 2HB LEU 53 6.349 6.082 -13.892 410 HG LEU 53 HG LEU 53 6.426 4.455 -15.801 411 1HD1 LEU 53 1HD1 LEU 53 3.343 4.603 -15.757 412 2HD1 LEU 53 2HD1 LEU 53 4.337 3.153 -15.350 413 3HD1 LEU 53 3HD1 LEU 53 4.362 3.808 -17.011 414 1HD2 LEU 53 1HD2 LEU 53 4.639 6.921 -16.245 415 2HD2 LEU 53 2HD2 LEU 53 5.498 6.002 -17.540 416 3HD2 LEU 53 3HD2 LEU 53 6.436 6.869 -16.267 417 H LYS 54 H LYS 54 8.074 4.689 -12.301 418 HA LYS 54 HA LYS 54 9.452 2.864 -14.006 419 1HB LYS 54 1HB LYS 54 10.316 4.409 -11.533 420 2HB LYS 54 2HB LYS 54 11.444 3.329 -12.434 421 1HG LYS 54 1HG LYS 54 11.244 4.605 -14.469 422 2HG LYS 54 2HG LYS 54 9.862 5.557 -13.826 423 1HD LYS 54 1HD LYS 54 11.311 6.683 -12.184 424 2HD LYS 54 2HD LYS 54 12.717 5.674 -12.667 425 1HE LYS 54 1HE LYS 54 12.770 8.024 -13.650 426 2HE LYS 54 2HE LYS 54 12.804 6.717 -14.898 427 1HZ LYS 54 1HZ LYS 54 10.435 7.040 -15.207 428 2HZ LYS 54 2HZ LYS 54 11.261 8.482 -15.516 429 3HZ LYS 54 3HZ LYS 54 10.419 8.283 -14.061 430 H VAL 55 H VAL 55 8.646 2.461 -10.413 431 HA VAL 55 HA VAL 55 9.650 -0.225 -10.378 432 HB VAL 55 HB VAL 55 8.315 -0.618 -8.342 433 1HG1 VAL 55 1HG1 VAL 55 9.965 2.004 -8.445 434 2HG1 VAL 55 2HG1 VAL 55 10.640 0.334 -8.341 435 3HG1 VAL 55 3HG1 VAL 55 9.646 0.995 -6.990 436 1HG2 VAL 55 1HG2 VAL 55 7.411 2.312 -8.781 437 2HG2 VAL 55 2HG2 VAL 55 7.089 1.305 -7.329 438 3HG2 VAL 55 3HG2 VAL 55 6.341 0.868 -8.903 439 H ALA 56 H ALA 56 6.440 1.038 -11.420 440 HA ALA 56 HA ALA 56 5.162 -1.437 -11.823 441 1HB ALA 56 1HB ALA 56 3.683 -0.295 -13.430 442 2HB ALA 56 2HB ALA 56 3.983 0.780 -12.019 443 3HB ALA 56 3HB ALA 56 4.839 1.077 -13.566 444 H MET 57 H MET 57 7.215 0.441 -14.206 445 HA MET 57 HA MET 57 7.223 -1.663 -16.142 446 1HB MET 57 1HB MET 57 9.160 0.676 -15.902 447 2HB MET 57 2HB MET 57 9.071 -0.503 -17.260 448 1HG MET 57 1HG MET 57 6.537 0.152 -17.407 449 2HG MET 57 2HG MET 57 6.978 1.567 -16.411 450 1HE MET 57 1HE MET 57 5.487 2.144 -18.740 451 2HE MET 57 2HE MET 57 6.390 3.476 -17.943 452 3HE MET 57 3HE MET 57 6.406 3.330 -19.726 453 H ARG 58 H ARG 58 9.215 -1.410 -13.149 454 HA ARG 58 HA ARG 58 11.210 -3.303 -14.008 455 1HB ARG 58 1HB ARG 58 10.111 -2.799 -11.183 456 2HB ARG 58 2HB ARG 58 11.509 -3.863 -11.565 457 1HG ARG 58 1HG ARG 58 12.777 -1.936 -12.474 458 2HG ARG 58 2HG ARG 58 11.379 -0.855 -12.153 459 1HD ARG 58 1HD ARG 58 11.545 -1.440 -9.672 460 2HD ARG 58 2HD ARG 58 13.070 -2.364 -10.041 461 HE ARG 58 HE ARG 58 13.325 0.237 -11.186 462 1HH1 ARG 58 1HH1 ARG 58 13.036 -1.240 -7.931 463 2HH1 ARG 58 2HH1 ARG 58 13.888 0.008 -7.119 464 1HH2 ARG 58 1HH2 ARG 58 14.510 1.949 -10.061 465 2HH2 ARG 58 2HH2 ARG 58 14.742 1.872 -8.366 466 H ALA 59 H ALA 59 8.020 -3.851 -12.135 467 HA ALA 59 HA ALA 59 8.130 -6.691 -12.394 468 1HB ALA 59 1HB ALA 59 5.682 -4.866 -12.037 469 2HB ALA 59 2HB ALA 59 5.714 -6.651 -11.771 470 3HB ALA 59 3HB ALA 59 6.684 -5.565 -10.714 471 H LEU 60 H LEU 60 6.144 -4.323 -14.422 472 HA LEU 60 HA LEU 60 5.106 -6.381 -16.121 473 1HB LEU 60 1HB LEU 60 4.107 -4.139 -15.477 474 2HB LEU 60 2HB LEU 60 5.207 -3.345 -16.635 475 HG LEU 60 HG LEU 60 3.295 -5.593 -17.494 476 1HD1 LEU 60 1HD1 LEU 60 1.949 -3.963 -16.168 477 2HD1 LEU 60 2HD1 LEU 60 2.537 -2.621 -17.225 478 3HD1 LEU 60 3HD1 LEU 60 1.511 -3.935 -17.910 479 1HD2 LEU 60 1HD2 LEU 60 4.834 -4.885 -19.300 480 2HD2 LEU 60 2HD2 LEU 60 4.422 -3.154 -19.021 481 3HD2 LEU 60 3HD2 LEU 60 3.184 -4.299 -19.663 482 H GLY 61 H GLY 61 7.908 -4.070 -16.601 483 1HA GLY 61 1HA GLY 61 8.270 -4.460 -19.327 484 2HA GLY 61 2HA GLY 61 9.517 -4.002 -18.124 485 H PHE 62 H PHE 62 9.828 -6.434 -16.679 486 HA PHE 62 HA PHE 62 10.478 -8.545 -16.698 487 1HB PHE 62 1HB PHE 62 9.951 -8.901 -19.700 488 2HB PHE 62 2HB PHE 62 10.251 -10.198 -18.491 489 HD1 PHE 62 HD1 PHE 62 8.429 -9.497 -16.240 490 HD2 PHE 62 HD2 PHE 62 7.839 -9.233 -20.500 491 HE1 PHE 62 HE1 PHE 62 6.004 -9.815 -15.933 492 HE2 PHE 62 HE2 PHE 62 5.413 -9.574 -20.176 493 HZ PHE 62 HZ PHE 62 4.500 -9.891 -17.897 494 H GLU 63 H GLU 63 12.661 -9.386 -16.709 495 HA GLU 63 HA GLU 63 14.476 -7.500 -17.606 496 1HB GLU 63 1HB GLU 63 15.014 -10.295 -16.585 497 2HB GLU 63 2HB GLU 63 16.347 -9.175 -17.021 498 1HG GLU 63 1HG GLU 63 14.148 -8.517 -14.958 499 2HG GLU 63 2HG GLU 63 15.818 -9.075 -14.571 500 HA PRO 64 HA PRO 64 15.822 -9.927 -21.651 501 1HB PRO 64 1HB PRO 64 12.976 -9.293 -22.639 502 2HB PRO 64 2HB PRO 64 14.183 -10.390 -23.435 503 1HG PRO 64 1HG PRO 64 12.300 -11.490 -21.810 504 2HG PRO 64 2HG PRO 64 14.029 -11.995 -21.600 505 1HD PRO 64 1HD PRO 64 12.404 -10.038 -19.918 506 2HD PRO 64 2HD PRO 64 13.634 -11.265 -19.363 507 H LYS 65 H LYS 65 13.999 -6.933 -21.027 508 HA LYS 65 HA LYS 65 14.499 -4.828 -21.345 509 1HB LYS 65 1HB LYS 65 16.950 -5.471 -23.033 510 2HB LYS 65 2HB LYS 65 16.444 -3.846 -22.472 511 1HG LYS 65 1HG LYS 65 17.328 -6.197 -20.674 512 2HG LYS 65 2HG LYS 65 18.309 -4.789 -21.173 513 1HD LYS 65 1HD LYS 65 17.735 -3.870 -19.233 514 2HD LYS 65 2HD LYS 65 16.152 -3.487 -19.994 515 1HE LYS 65 1HE LYS 65 15.180 -5.594 -18.984 516 2HE LYS 65 2HE LYS 65 16.817 -6.042 -18.355 517 1HZ LYS 65 1HZ LYS 65 15.180 -3.715 -17.493 518 2HZ LYS 65 2HZ LYS 65 15.503 -5.153 -16.636 519 3HZ LYS 65 3HZ LYS 65 16.762 -4.079 -16.972 520 H LYS 66 H LYS 66 15.491 -5.988 -24.673 521 HA LYS 66 HA LYS 66 14.849 -5.325 -26.666 522 1HB LYS 66 1HB LYS 66 12.164 -5.729 -25.403 523 2HB LYS 66 2HB LYS 66 12.159 -4.874 -26.962 524 1HG LYS 66 1HG LYS 66 13.526 -7.598 -26.561 525 2HG LYS 66 2HG LYS 66 11.830 -7.360 -27.116 526 1HD LYS 66 1HD LYS 66 12.631 -5.990 -29.043 527 2HD LYS 66 2HD LYS 66 14.338 -6.294 -28.559 528 1HE LYS 66 1HE LYS 66 14.014 -8.762 -28.940 529 2HE LYS 66 2HE LYS 66 12.293 -8.461 -29.418 530 1HZ LYS 66 1HZ LYS 66 13.760 -8.649 -31.330 531 2HZ LYS 66 2HZ LYS 66 13.084 -7.098 -31.226 532 3HZ LYS 66 3HZ LYS 66 14.699 -7.352 -30.778 533 H GLU 67 H GLU 67 13.741 -3.565 -28.165 534 HA GLU 67 HA GLU 67 14.533 -0.954 -27.125 535 1HB GLU 67 1HB GLU 67 13.388 -1.779 -29.847 536 2HB GLU 67 2HB GLU 67 13.887 -0.117 -29.401 537 1HG GLU 67 1HG GLU 67 16.242 -1.006 -28.924 538 2HG GLU 67 2HG GLU 67 15.714 -2.595 -29.596 539 H GLU 68 H GLU 68 12.713 -1.061 -25.380 540 HA GLU 68 HA GLU 68 10.405 0.458 -26.243 541 1HB GLU 68 1HB GLU 68 8.689 -1.147 -25.340 542 2HB GLU 68 2HB GLU 68 9.523 -1.681 -26.835 543 1HG GLU 68 1HG GLU 68 11.057 -3.157 -25.410 544 2HG GLU 68 2HG GLU 68 9.996 -2.772 -24.000 545 H ILE 69 H ILE 69 11.705 -1.320 -23.207 546 HA ILE 69 HA ILE 69 10.009 0.343 -21.608 547 HB ILE 69 HB ILE 69 12.451 -1.276 -20.724 548 1HG1 ILE 69 1HG1 ILE 69 11.040 -2.783 -22.020 549 2HG1 ILE 69 2HG1 ILE 69 10.888 -3.140 -20.283 550 1HG2 ILE 69 1HG2 ILE 69 11.142 -1.446 -18.555 551 2HG2 ILE 69 2HG2 ILE 69 11.636 0.239 -18.938 552 3HG2 ILE 69 3HG2 ILE 69 9.939 -0.286 -19.229 553 1HD1 ILE 69 1HD1 ILE 69 8.664 -1.938 -20.214 554 2HD1 ILE 69 2HD1 ILE 69 8.802 -1.605 -21.983 555 3HD1 ILE 69 3HD1 ILE 69 8.686 -3.295 -21.395 556 H LYS 70 H LYS 70 13.656 0.534 -22.163 557 HA LYS 70 HA LYS 70 14.005 2.926 -20.645 558 1HB LYS 70 1HB LYS 70 15.880 1.428 -21.407 559 2HB LYS 70 2HB LYS 70 15.599 1.973 -23.095 560 1HG LYS 70 1HG LYS 70 16.180 4.328 -22.414 561 2HG LYS 70 2HG LYS 70 16.409 3.775 -20.720 562 1HD LYS 70 1HD LYS 70 18.271 2.279 -21.459 563 2HD LYS 70 2HD LYS 70 18.017 2.802 -23.165 564 1HE LYS 70 1HE LYS 70 18.599 5.175 -22.529 565 2HE LYS 70 2HE LYS 70 18.857 4.650 -20.817 566 1HZ LYS 70 1HZ LYS 70 20.374 3.690 -23.191 567 2HZ LYS 70 2HZ LYS 70 20.905 4.812 -22.036 568 3HZ LYS 70 3HZ LYS 70 20.618 3.203 -21.583 569 H LYS 71 H LYS 71 13.064 2.439 -24.140 570 HA LYS 71 HA LYS 71 12.972 5.189 -24.848 571 1HB LYS 71 1HB LYS 71 11.343 2.865 -26.008 572 2HB LYS 71 2HB LYS 71 11.457 4.521 -26.703 573 1HG LYS 71 1HG LYS 71 13.980 4.229 -26.847 574 2HG LYS 71 2HG LYS 71 13.765 2.504 -26.382 575 1HD LYS 71 1HD LYS 71 12.326 2.149 -28.398 576 2HD LYS 71 2HD LYS 71 12.515 3.886 -28.841 577 1HE LYS 71 1HE LYS 71 15.010 3.549 -29.109 578 2HE LYS 71 2HE LYS 71 14.810 1.815 -28.644 579 1HZ LYS 71 1HZ LYS 71 14.785 1.651 -30.856 580 2HZ LYS 71 2HZ LYS 71 13.123 1.866 -30.618 581 3HZ LYS 71 3HZ LYS 71 14.069 3.182 -31.133 582 H MET 72 H MET 72 10.156 3.050 -23.627 583 HA MET 72 HA MET 72 8.264 5.102 -23.688 584 1HB MET 72 1HB MET 72 8.438 2.504 -22.170 585 2HB MET 72 2HB MET 72 7.226 3.713 -21.641 586 1HG MET 72 1HG MET 72 6.150 2.198 -23.101 587 2HG MET 72 2HG MET 72 6.183 3.825 -23.829 588 1HE MET 72 1HE MET 72 8.399 4.387 -25.803 589 2HE MET 72 2HE MET 72 7.888 3.417 -27.219 590 3HE MET 72 3HE MET 72 6.662 4.257 -26.219 591 H ILE 73 H ILE 73 10.426 4.355 -20.752 592 HA ILE 73 HA ILE 73 9.365 6.503 -19.184 593 HB ILE 73 HB ILE 73 12.092 5.112 -19.297 594 1HG1 ILE 73 1HG1 ILE 73 10.247 3.577 -18.736 595 2HG1 ILE 73 2HG1 ILE 73 11.330 3.845 -17.342 596 1HG2 ILE 73 1HG2 ILE 73 11.010 7.119 -17.247 597 2HG2 ILE 73 2HG2 ILE 73 12.391 5.989 -16.916 598 3HG2 ILE 73 3HG2 ILE 73 12.532 7.238 -18.196 599 1HD1 ILE 73 1HD1 ILE 73 8.518 5.080 -17.727 600 2HD1 ILE 73 2HD1 ILE 73 8.994 3.790 -16.572 601 3HD1 ILE 73 3HD1 ILE 73 9.622 5.461 -16.353 602 H SER 74 H SER 74 12.362 6.586 -21.431 603 HA SER 74 HA SER 74 12.819 9.343 -20.982 604 1HB SER 74 1HB SER 74 13.605 7.614 -23.389 605 2HB SER 74 2HB SER 74 14.297 9.238 -23.000 606 HG SER 74 HG SER 74 15.144 8.413 -21.150 607 H GLU 75 H GLU 75 10.513 7.868 -23.266 608 HA GLU 75 HA GLU 75 10.151 10.186 -24.920 609 1HB GLU 75 1HB GLU 75 9.764 7.815 -25.664 610 2HB GLU 75 2HB GLU 75 8.399 7.691 -24.511 611 1HG GLU 75 1HG GLU 75 7.168 9.485 -25.822 612 2HG GLU 75 2HG GLU 75 8.574 9.594 -26.949 613 H ILE 76 H ILE 76 8.194 8.778 -22.091 614 HA ILE 76 HA ILE 76 6.364 11.049 -22.189 615 HB ILE 76 HB ILE 76 6.663 9.160 -19.836 616 1HG1 ILE 76 1HG1 ILE 76 4.797 8.580 -22.205 617 2HG1 ILE 76 2HG1 ILE 76 6.422 7.856 -22.121 618 1HG2 ILE 76 1HG2 ILE 76 4.200 10.594 -21.070 619 2HG2 ILE 76 2HG2 ILE 76 5.132 11.247 -19.688 620 3HG2 ILE 76 3HG2 ILE 76 4.250 9.695 -19.510 621 1HD1 ILE 76 1HD1 ILE 76 4.199 7.468 -20.047 622 2HD1 ILE 76 2HD1 ILE 76 5.908 6.930 -19.827 623 3HD1 ILE 76 3HD1 ILE 76 4.930 6.255 -21.172 624 H ASP 77 H ASP 77 9.377 10.207 -20.223 625 HA ASP 77 HA ASP 77 9.227 12.677 -18.675 626 1HB ASP 77 1HB ASP 77 11.540 10.680 -19.096 627 2HB ASP 77 2HB ASP 77 11.754 12.231 -18.230 628 H LYS 78 H LYS 78 8.869 14.153 -20.529 629 HA LYS 78 HA LYS 78 11.308 14.869 -22.038 630 1HB LYS 78 1HB LYS 78 9.950 13.165 -23.291 631 2HB LYS 78 2HB LYS 78 8.576 14.315 -23.329 632 1HG LYS 78 1HG LYS 78 9.885 15.858 -24.768 633 2HG LYS 78 2HG LYS 78 11.376 14.900 -24.486 634 1HD LYS 78 1HD LYS 78 10.529 14.387 -26.720 635 2HD LYS 78 2HD LYS 78 10.433 12.949 -25.651 636 1HE LYS 78 1HE LYS 78 8.418 13.027 -27.034 637 2HE LYS 78 2HE LYS 78 7.934 13.376 -25.332 638 1HZ LYS 78 1HZ LYS 78 6.864 14.830 -26.857 639 2HZ LYS 78 2HZ LYS 78 7.898 15.734 -25.875 640 3HZ LYS 78 3HZ LYS 78 8.343 15.394 -27.480 641 H GLU 79 H GLU 79 7.840 15.879 -21.469 642 HA GLU 79 HA GLU 79 8.515 18.676 -22.088 643 1HB GLU 79 1HB GLU 79 5.887 17.161 -21.653 644 2HB GLU 79 2HB GLU 79 5.939 18.956 -21.579 645 1HG GLU 79 1HG GLU 79 5.202 18.264 -23.785 646 2HG GLU 79 2HG GLU 79 6.780 19.128 -23.871 647 H GLY 80 H GLY 80 6.702 16.971 -19.412 648 1HA GLY 80 1HA GLY 80 8.210 18.543 -17.451 649 2HA GLY 80 2HA GLY 80 6.409 18.568 -17.397 650 H THR 81 H THR 81 9.007 16.074 -17.795 651 HA THR 81 HA THR 81 9.337 14.077 -16.993 652 HB THR 81 HB THR 81 9.072 13.458 -14.677 653 HG1 THR 81 HG1 THR 81 7.301 15.617 -14.728 654 1HG2 THR 81 1HG2 THR 81 10.947 14.954 -15.428 655 2HG2 THR 81 2HG2 THR 81 9.944 16.409 -15.060 656 3HG2 THR 81 3HG2 THR 81 10.441 15.296 -13.736 657 H GLY 82 H GLY 82 8.362 11.907 -16.165 658 1HA GLY 82 1HA GLY 82 6.144 11.436 -17.926 659 2HA GLY 82 2HA GLY 82 7.184 10.262 -17.076 660 H LYS 83 H LYS 83 4.372 12.269 -16.900 661 HA LYS 83 HA LYS 83 3.148 10.552 -14.838 662 1HB LYS 83 1HB LYS 83 1.385 12.097 -14.509 663 2HB LYS 83 2HB LYS 83 2.941 12.942 -14.303 664 1HG LYS 83 1HG LYS 83 1.063 13.185 -16.755 665 2HG LYS 83 2HG LYS 83 1.180 14.290 -15.358 666 1HD LYS 83 1HD LYS 83 2.544 15.517 -16.613 667 2HD LYS 83 2HD LYS 83 3.810 14.331 -16.158 668 1HE LYS 83 1HE LYS 83 3.278 13.060 -18.343 669 2HE LYS 83 2HE LYS 83 2.082 14.353 -18.751 670 1HZ LYS 83 1HZ LYS 83 5.003 14.667 -18.308 671 2HZ LYS 83 2HZ LYS 83 4.192 14.697 -19.808 672 3HZ LYS 83 3HZ LYS 83 3.920 15.939 -18.674 673 H MET 84 H MET 84 1.896 8.893 -15.546 674 HA MET 84 HA MET 84 1.127 8.878 -18.411 675 1HB MET 84 1HB MET 84 2.901 7.280 -17.471 676 2HB MET 84 2HB MET 84 1.568 6.435 -16.625 677 1HG MET 84 1HG MET 84 0.512 5.923 -18.836 678 2HG MET 84 2HG MET 84 1.715 6.978 -19.653 679 1HE MET 84 1HE MET 84 1.719 4.304 -21.142 680 2HE MET 84 2HE MET 84 3.486 4.020 -21.126 681 3HE MET 84 3HE MET 84 2.834 5.689 -21.287 682 H ASN 85 H ASN 85 -1.044 8.576 -18.975 683 HA ASN 85 HA ASN 85 -2.905 7.853 -16.791 684 1HB ASN 85 1HB ASN 85 -4.690 8.861 -17.706 685 2HB ASN 85 2HB ASN 85 -3.396 9.995 -18.188 686 1HD2 ASN 85 1HD2 ASN 85 -2.459 9.409 -20.619 687 2HD2 ASN 85 2HD2 ASN 85 -3.741 9.212 -21.752 688 H PHE 86 H PHE 86 -4.829 6.345 -17.589 689 HA PHE 86 HA PHE 86 -3.604 3.917 -18.395 690 1HB PHE 86 1HB PHE 86 -5.689 4.333 -16.884 691 2HB PHE 86 2HB PHE 86 -6.638 4.493 -18.401 692 HD1 PHE 86 HD1 PHE 86 -8.000 2.594 -18.453 693 HD2 PHE 86 HD2 PHE 86 -3.888 2.076 -17.300 694 HE1 PHE 86 HE1 PHE 86 -8.358 0.159 -18.237 695 HE2 PHE 86 HE2 PHE 86 -4.259 -0.340 -17.063 696 HZ PHE 86 HZ PHE 86 -6.485 -1.318 -17.542 697 H GLY 87 H GLY 87 -5.297 6.384 -20.464 698 1HA GLY 87 1HA GLY 87 -5.614 4.757 -22.779 699 2HA GLY 87 2HA GLY 87 -5.430 6.547 -22.686 700 H ASP 88 H ASP 88 -2.742 6.877 -21.772 701 HA ASP 88 HA ASP 88 -1.023 6.211 -23.908 702 1HB ASP 88 1HB ASP 88 -0.102 6.526 -20.980 703 2HB ASP 88 2HB ASP 88 0.868 6.822 -22.468 704 H PHE 89 H PHE 89 -1.313 4.641 -20.619 705 HA PHE 89 HA PHE 89 0.510 2.595 -20.920 706 1HB PHE 89 1HB PHE 89 -0.868 3.487 -18.857 707 2HB PHE 89 2HB PHE 89 -2.095 2.265 -19.319 708 HD1 PHE 89 HD1 PHE 89 1.741 2.205 -19.157 709 HD2 PHE 89 HD2 PHE 89 -1.977 0.636 -17.684 710 HE1 PHE 89 HE1 PHE 89 2.970 0.731 -17.622 711 HE2 PHE 89 HE2 PHE 89 -0.737 -0.877 -16.176 712 HZ PHE 89 HZ PHE 89 1.741 -0.808 -16.115 713 H LEU 90 H LEU 90 -3.060 2.269 -21.645 714 HA LEU 90 HA LEU 90 -2.933 -0.465 -22.444 715 1HB LEU 90 1HB LEU 90 -4.869 1.810 -23.158 716 2HB LEU 90 2HB LEU 90 -5.122 0.136 -23.758 717 HG LEU 90 HG LEU 90 -4.936 0.808 -20.772 718 1HD1 LEU 90 1HD1 LEU 90 -7.436 0.629 -22.577 719 2HD1 LEU 90 2HD1 LEU 90 -6.807 2.098 -21.737 720 3HD1 LEU 90 3HD1 LEU 90 -7.451 0.714 -20.778 721 1HD2 LEU 90 1HD2 LEU 90 -6.067 -1.384 -20.478 722 2HD2 LEU 90 2HD2 LEU 90 -6.119 -1.631 -22.263 723 3HD2 LEU 90 3HD2 LEU 90 -4.539 -1.609 -21.402 724 H THR 91 H THR 91 -2.910 2.581 -24.600 725 HA THR 91 HA THR 91 -2.714 1.065 -26.990 726 HB THR 91 HB THR 91 -2.107 3.172 -28.129 727 HG1 THR 91 HG1 THR 91 -2.012 5.027 -26.922 728 1HG2 THR 91 1HG2 THR 91 -4.436 3.393 -26.084 729 2HG2 THR 91 2HG2 THR 91 -4.497 2.497 -27.648 730 3HG2 THR 91 3HG2 THR 91 -4.287 4.284 -27.641 731 H VAL 92 H VAL 92 -0.022 2.667 -25.055 732 HA VAL 92 HA VAL 92 1.922 1.869 -26.948 733 HB VAL 92 HB VAL 92 2.083 3.792 -25.323 734 1HG1 VAL 92 1HG1 VAL 92 3.435 1.646 -23.552 735 2HG1 VAL 92 2HG1 VAL 92 3.339 3.416 -23.260 736 3HG1 VAL 92 3HG1 VAL 92 1.842 2.412 -23.190 737 1HG2 VAL 92 1HG2 VAL 92 4.500 1.960 -25.908 738 2HG2 VAL 92 2HG2 VAL 92 3.750 3.133 -27.056 739 3HG2 VAL 92 3HG2 VAL 92 4.548 3.730 -25.558 740 H MET 93 H MET 93 1.028 0.160 -23.800 741 HA MET 93 HA MET 93 2.884 -1.952 -24.194 742 1HB MET 93 1HB MET 93 0.337 -1.772 -22.552 743 2HB MET 93 2HB MET 93 1.176 -3.339 -22.765 744 1HG MET 93 1HG MET 93 1.916 -2.395 -20.699 745 2HG MET 93 2HG MET 93 3.262 -2.492 -21.870 746 1HE MET 93 1HE MET 93 3.782 -1.022 -19.287 747 2HE MET 93 2HE MET 93 4.895 -1.104 -20.698 748 3HE MET 93 3HE MET 93 4.577 0.469 -19.893 749 H THR 94 H THR 94 -0.589 -1.775 -25.475 750 HA THR 94 HA THR 94 -0.508 -4.354 -26.667 751 HB THR 94 HB THR 94 -1.968 -1.936 -27.860 752 HG1 THR 94 HG1 THR 94 -2.582 -1.982 -25.784 753 1HG2 THR 94 1HG2 THR 94 -1.965 -4.057 -29.247 754 2HG2 THR 94 2HG2 THR 94 -3.593 -3.756 -28.552 755 3HG2 THR 94 3HG2 THR 94 -2.512 -4.998 -27.813 756 H GLN 95 H GLN 95 0.184 -1.103 -28.332 757 HA GLN 95 HA GLN 95 0.972 -2.134 -30.786 758 1HB GLN 95 1HB GLN 95 0.452 0.263 -30.208 759 2HB GLN 95 2HB GLN 95 2.028 0.373 -29.361 760 1HG GLN 95 1HG GLN 95 3.207 -0.062 -31.574 761 2HG GLN 95 2HG GLN 95 1.593 -0.160 -32.383 762 1HE2 GLN 95 1HE2 GLN 95 2.967 1.707 -33.549 763 2HE2 GLN 95 2HE2 GLN 95 2.653 3.313 -32.976 764 H LYS 96 H LYS 96 3.242 -1.535 -27.932 765 HA LYS 96 HA LYS 96 5.522 -2.384 -29.512 766 1HB LYS 96 1HB LYS 96 5.364 -1.935 -26.498 767 2HB LYS 96 2HB LYS 96 6.859 -2.183 -27.453 768 1HG LYS 96 1HG LYS 96 4.888 0.182 -27.634 769 2HG LYS 96 2HG LYS 96 6.531 0.203 -26.937 770 1HD LYS 96 1HD LYS 96 5.778 -0.208 -29.911 771 2HD LYS 96 2HD LYS 96 6.369 1.309 -29.180 772 1HE LYS 96 1HE LYS 96 8.006 -1.326 -29.347 773 2HE LYS 96 2HE LYS 96 8.173 0.095 -30.453 774 1HZ LYS 96 1HZ LYS 96 8.528 0.188 -27.511 775 2HZ LYS 96 2HZ LYS 96 9.797 0.026 -28.630 776 3HZ LYS 96 3HZ LYS 96 8.836 1.436 -28.620 777 H MET 97 H MET 97 3.667 -4.116 -26.799 778 HA MET 97 HA MET 97 5.474 -6.368 -26.990 779 1HB MET 97 1HB MET 97 2.776 -6.086 -25.560 780 2HB MET 97 2HB MET 97 3.878 -7.489 -25.386 781 1HG MET 97 1HG MET 97 4.660 -4.601 -24.653 782 2HG MET 97 2HG MET 97 3.921 -5.770 -23.521 783 1HE MET 97 1HE MET 97 7.535 -5.566 -22.152 784 2HE MET 97 2HE MET 97 5.774 -5.436 -21.816 785 3HE MET 97 3HE MET 97 6.577 -4.247 -22.908 786 H SER 98 H SER 98 1.845 -6.104 -27.883 787 HA SER 98 HA SER 98 1.877 -8.871 -28.670 788 1HB SER 98 1HB SER 98 -0.361 -6.811 -28.977 789 2HB SER 98 2HB SER 98 -0.502 -8.615 -29.027 790 HG SER 98 HG SER 98 -0.963 -8.172 -27.018 Start of MODEL 14 1 1H MET 1 1H MET 1 4.453 -26.112 -43.124 2 2H MET 1 2H MET 1 5.745 -27.130 -43.562 3 3H MET 1 3H MET 1 5.263 -25.866 -44.592 4 HA MET 1 HA MET 1 4.536 -27.953 -45.416 5 1HB MET 1 1HB MET 1 4.301 -29.093 -43.176 6 2HB MET 1 2HB MET 1 2.859 -28.103 -42.824 7 1HG MET 1 1HG MET 1 2.248 -30.381 -43.523 8 2HG MET 1 2HG MET 1 1.617 -29.168 -44.669 9 1HE MET 1 1HE MET 1 5.326 -30.785 -44.301 10 2HE MET 1 2HE MET 1 5.125 -32.174 -45.416 11 3HE MET 1 3HE MET 1 4.108 -32.060 -43.941 12 H ALA 2 H ALA 2 1.589 -26.690 -43.606 13 HA ALA 2 HA ALA 2 0.521 -25.696 -46.122 14 1HB ALA 2 1HB ALA 2 -0.684 -25.622 -43.300 15 2HB ALA 2 2HB ALA 2 -0.999 -26.876 -44.552 16 3HB ALA 2 3HB ALA 2 -1.535 -25.182 -44.828 17 H SER 3 H SER 3 1.973 -23.878 -46.622 18 HA SER 3 HA SER 3 2.484 -21.835 -44.694 19 1HB SER 3 1HB SER 3 2.984 -21.783 -47.724 20 2HB SER 3 2HB SER 3 3.726 -20.687 -46.493 21 HG SER 3 HG SER 3 5.048 -22.446 -47.077 22 H ASN 4 H ASN 4 0.538 -20.805 -44.017 23 HA ASN 4 HA ASN 4 -1.384 -19.859 -45.978 24 1HB ASN 4 1HB ASN 4 -1.347 -19.817 -42.918 25 2HB ASN 4 2HB ASN 4 -2.536 -18.832 -43.838 26 1HD2 ASN 4 1HD2 ASN 4 -1.307 -22.309 -43.910 27 2HD2 ASN 4 2HD2 ASN 4 -2.887 -22.978 -44.137 28 H PHE 5 H PHE 5 -0.119 -18.243 -47.172 29 HA PHE 5 HA PHE 5 0.483 -15.706 -45.845 30 1HB PHE 5 1HB PHE 5 0.272 -16.333 -48.864 31 2HB PHE 5 2HB PHE 5 0.949 -14.824 -48.136 32 HD1 PHE 5 HD1 PHE 5 1.695 -18.178 -49.229 33 HD2 PHE 5 HD2 PHE 5 2.931 -15.123 -46.466 34 HE1 PHE 5 HE1 PHE 5 3.906 -19.259 -49.019 35 HE2 PHE 5 HE2 PHE 5 5.140 -16.212 -46.254 36 HZ PHE 5 HZ PHE 5 5.633 -18.281 -47.529 37 H LYS 6 H LYS 6 -1.660 -15.409 -44.825 38 HA LYS 6 HA LYS 6 -3.858 -14.571 -46.654 39 1HB LYS 6 1HB LYS 6 -4.001 -16.964 -45.878 40 2HB LYS 6 2HB LYS 6 -3.981 -16.399 -44.182 41 1HG LYS 6 1HG LYS 6 -6.226 -15.356 -44.493 42 2HG LYS 6 2HG LYS 6 -6.145 -15.680 -46.262 43 1HD LYS 6 1HD LYS 6 -7.565 -17.388 -45.290 44 2HD LYS 6 2HD LYS 6 -6.018 -18.135 -45.817 45 1HE LYS 6 1HE LYS 6 -5.251 -17.914 -43.295 46 2HE LYS 6 2HE LYS 6 -6.981 -17.536 -42.941 47 1HZ LYS 6 1HZ LYS 6 -5.772 -20.009 -44.045 48 2HZ LYS 6 2HZ LYS 6 -7.450 -19.704 -44.148 49 3HZ LYS 6 3HZ LYS 6 -6.688 -19.804 -42.634 50 H LYS 7 H LYS 7 -3.646 -12.285 -46.145 51 HA LYS 7 HA LYS 7 -3.515 -11.441 -43.360 52 1HB LYS 7 1HB LYS 7 -3.591 -9.925 -46.005 53 2HB LYS 7 2HB LYS 7 -3.706 -9.066 -44.439 54 1HG LYS 7 1HG LYS 7 -1.386 -10.953 -45.144 55 2HG LYS 7 2HG LYS 7 -1.361 -9.189 -45.475 56 1HD LYS 7 1HD LYS 7 -1.815 -10.368 -42.668 57 2HD LYS 7 2HD LYS 7 -0.193 -9.964 -43.319 58 1HE LYS 7 1HE LYS 7 -0.653 -7.600 -43.413 59 2HE LYS 7 2HE LYS 7 -2.433 -7.837 -43.201 60 1HZ LYS 7 1HZ LYS 7 -0.473 -8.610 -41.113 61 2HZ LYS 7 2HZ LYS 7 -1.199 -7.076 -41.219 62 3HZ LYS 7 3HZ LYS 7 -2.175 -8.451 -41.019 63 H ALA 8 H ALA 8 -5.621 -12.469 -42.701 64 HA ALA 8 HA ALA 8 -8.052 -11.045 -43.483 65 1HB ALA 8 1HB ALA 8 -9.219 -12.532 -41.865 66 2HB ALA 8 2HB ALA 8 -7.627 -13.195 -41.333 67 3HB ALA 8 3HB ALA 8 -8.207 -13.478 -43.014 68 H ASN 9 H ASN 9 -7.298 -8.853 -42.756 69 HA ASN 9 HA ASN 9 -7.795 -8.428 -39.855 70 1HB ASN 9 1HB ASN 9 -5.703 -6.944 -41.562 71 2HB ASN 9 2HB ASN 9 -6.106 -6.550 -39.851 72 1HD2 ASN 9 1HD2 ASN 9 -6.068 -8.713 -38.373 73 2HD2 ASN 9 2HD2 ASN 9 -4.608 -9.637 -38.526 74 H MET 10 H MET 10 -8.816 -7.341 -43.034 75 HA MET 10 HA MET 10 -9.318 -4.610 -42.383 76 1HB MET 10 1HB MET 10 -10.547 -6.306 -44.618 77 2HB MET 10 2HB MET 10 -10.590 -4.512 -44.509 78 1HG MET 10 1HG MET 10 -8.083 -4.460 -44.620 79 2HG MET 10 2HG MET 10 -8.054 -6.242 -44.792 80 1HE MET 10 1HE MET 10 -6.584 -6.094 -46.851 81 2HE MET 10 2HE MET 10 -6.902 -5.058 -48.284 82 3HE MET 10 3HE MET 10 -6.565 -4.303 -46.690 83 H ALA 11 H ALA 11 -11.454 -3.491 -42.240 84 HA ALA 11 HA ALA 11 -13.508 -5.017 -40.822 85 1HB ALA 11 1HB ALA 11 -13.460 -2.056 -41.624 86 2HB ALA 11 2HB ALA 11 -13.003 -2.727 -40.013 87 3HB ALA 11 3HB ALA 11 -14.703 -2.853 -40.587 88 H SER 12 H SER 12 -14.034 -6.502 -42.729 89 HA SER 12 HA SER 12 -15.311 -5.300 -45.044 90 1HB SER 12 1HB SER 12 -15.662 -7.771 -45.700 91 2HB SER 12 2HB SER 12 -13.960 -7.219 -45.506 92 HG SER 12 HG SER 12 -15.528 -8.652 -43.643 93 H SER 13 H SER 13 -17.230 -4.225 -44.189 94 HA SER 13 HA SER 13 -18.966 -5.680 -42.418 95 1HB SER 13 1HB SER 13 -18.420 -3.236 -42.181 96 2HB SER 13 2HB SER 13 -19.432 -2.903 -43.631 97 HG SER 13 HG SER 13 -21.179 -3.693 -42.526 98 H SER 14 H SER 14 -19.369 -7.412 -44.386 99 HA SER 14 HA SER 14 -21.689 -6.798 -46.020 100 1HB SER 14 1HB SER 14 -21.743 -9.394 -46.258 101 2HB SER 14 2HB SER 14 -20.288 -8.538 -46.883 102 HG SER 14 HG SER 14 -19.738 -10.329 -45.644 103 H GLN 15 H GLN 15 -21.309 -9.132 -43.228 104 HA GLN 15 HA GLN 15 -24.067 -8.534 -42.318 105 1HB GLN 15 1HB GLN 15 -21.985 -10.449 -41.105 106 2HB GLN 15 2HB GLN 15 -23.683 -10.231 -40.549 107 1HG GLN 15 1HG GLN 15 -24.466 -11.065 -42.843 108 2HG GLN 15 2HG GLN 15 -22.745 -11.378 -43.271 109 1HE2 GLN 15 1HE2 GLN 15 -25.356 -12.219 -40.904 110 2HE2 GLN 15 2HE2 GLN 15 -24.718 -13.767 -40.463 111 H ARG 16 H ARG 16 -24.216 -6.662 -40.993 112 HA ARG 16 HA ARG 16 -21.863 -5.287 -40.269 113 1HB ARG 16 1HB ARG 16 -24.069 -4.244 -40.915 114 2HB ARG 16 2HB ARG 16 -24.689 -4.653 -39.281 115 1HG ARG 16 1HG ARG 16 -22.902 -3.201 -38.265 116 2HG ARG 16 2HG ARG 16 -22.240 -2.884 -39.914 117 1HD ARG 16 1HD ARG 16 -24.451 -1.814 -40.568 118 2HD ARG 16 2HD ARG 16 -25.037 -2.053 -38.860 119 HE ARG 16 HE ARG 16 -22.483 -0.698 -38.846 120 1HH1 ARG 16 1HH1 ARG 16 -25.907 -0.117 -39.746 121 2HH1 ARG 16 2HH1 ARG 16 -25.835 1.583 -39.529 122 1HH2 ARG 16 1HH2 ARG 16 -22.395 1.649 -38.542 123 2HH2 ARG 16 2HH2 ARG 16 -23.787 2.610 -38.822 124 H LYS 17 H LYS 17 -20.508 -5.754 -38.593 125 HA LYS 17 HA LYS 17 -19.685 -6.210 -36.573 126 1HB LYS 17 1HB LYS 17 -22.452 -6.628 -35.348 127 2HB LYS 17 2HB LYS 17 -20.891 -6.661 -34.475 128 1HG LYS 17 1HG LYS 17 -22.070 -4.203 -35.923 129 2HG LYS 17 2HG LYS 17 -22.197 -4.564 -34.169 130 1HD LYS 17 1HD LYS 17 -19.654 -4.513 -34.015 131 2HD LYS 17 2HD LYS 17 -19.594 -4.040 -35.744 132 1HE LYS 17 1HE LYS 17 -19.336 -2.035 -34.322 133 2HE LYS 17 2HE LYS 17 -20.902 -1.942 -35.225 134 1HZ LYS 17 1HZ LYS 17 -20.554 -2.807 -32.396 135 2HZ LYS 17 2HZ LYS 17 -22.024 -2.708 -33.240 136 3HZ LYS 17 3HZ LYS 17 -21.129 -1.301 -32.929 137 H ARG 18 H ARG 18 -18.646 -8.091 -37.392 138 HA ARG 18 HA ARG 18 -19.983 -10.665 -36.942 139 1HB ARG 18 1HB ARG 18 -20.593 -9.910 -39.262 140 2HB ARG 18 2HB ARG 18 -18.862 -9.781 -39.680 141 1HG ARG 18 1HG ARG 18 -19.789 -11.793 -40.621 142 2HG ARG 18 2HG ARG 18 -18.646 -12.294 -39.330 143 1HD ARG 18 1HD ARG 18 -20.573 -12.800 -37.784 144 2HD ARG 18 2HD ARG 18 -21.722 -12.089 -38.981 145 HE ARG 18 HE ARG 18 -21.487 -13.924 -40.404 146 1HH1 ARG 18 1HH1 ARG 18 -19.204 -14.285 -37.642 147 2HH1 ARG 18 2HH1 ARG 18 -18.861 -15.937 -37.950 148 1HH2 ARG 18 1HH2 ARG 18 -21.015 -16.182 -40.800 149 2HH2 ARG 18 2HH2 ARG 18 -19.920 -17.051 -39.801 150 H MET 19 H MET 19 -16.959 -9.814 -38.893 151 HA MET 19 HA MET 19 -15.248 -10.858 -36.787 152 1HB MET 19 1HB MET 19 -16.049 -12.941 -37.943 153 2HB MET 19 2HB MET 19 -15.442 -12.293 -39.504 154 1HG MET 19 1HG MET 19 -13.117 -12.339 -38.638 155 2HG MET 19 2HG MET 19 -13.699 -12.853 -37.022 156 1HE MET 19 1HE MET 19 -11.380 -14.184 -38.715 157 2HE MET 19 2HE MET 19 -11.693 -15.916 -38.355 158 3HE MET 19 3HE MET 19 -11.899 -14.683 -37.066 159 H SER 20 H SER 20 -13.727 -9.157 -36.770 160 HA SER 20 HA SER 20 -12.181 -8.779 -39.245 161 1HB SER 20 1HB SER 20 -11.910 -6.307 -38.769 162 2HB SER 20 2HB SER 20 -13.541 -6.803 -39.345 163 HG SER 20 HG SER 20 -12.787 -6.405 -36.646 164 HA PRO 21 HA PRO 21 -9.632 -9.755 -35.480 165 1HB PRO 21 1HB PRO 21 -7.720 -10.768 -37.660 166 2HB PRO 21 2HB PRO 21 -8.091 -11.533 -36.061 167 1HG PRO 21 1HG PRO 21 -9.246 -12.500 -38.334 168 2HG PRO 21 2HG PRO 21 -10.274 -12.257 -36.858 169 1HD PRO 21 1HD PRO 21 -10.011 -10.401 -39.300 170 2HD PRO 21 2HD PRO 21 -11.511 -10.949 -38.426 171 H LYS 22 H LYS 22 -8.228 -8.323 -34.406 172 HA LYS 22 HA LYS 22 -6.295 -6.734 -35.937 173 1HB LYS 22 1HB LYS 22 -8.470 -5.491 -34.152 174 2HB LYS 22 2HB LYS 22 -7.081 -4.594 -34.856 175 1HG LYS 22 1HG LYS 22 -7.888 -5.198 -37.166 176 2HG LYS 22 2HG LYS 22 -9.332 -5.977 -36.431 177 1HD LYS 22 1HD LYS 22 -9.944 -3.779 -35.351 178 2HD LYS 22 2HD LYS 22 -8.591 -2.995 -36.233 179 1HE LYS 22 1HE LYS 22 -11.039 -4.428 -37.504 180 2HE LYS 22 2HE LYS 22 -10.769 -2.642 -37.411 181 1HZ LYS 22 1HZ LYS 22 -8.735 -3.009 -38.740 182 2HZ LYS 22 2HZ LYS 22 -10.179 -3.406 -39.539 183 3HZ LYS 22 3HZ LYS 22 -9.175 -4.637 -38.954 184 HA PRO 23 HA PRO 23 -3.785 -7.310 -32.338 185 1HB PRO 23 1HB PRO 23 -3.232 -4.289 -32.157 186 2HB PRO 23 2HB PRO 23 -2.032 -5.641 -32.074 187 1HG PRO 23 1HG PRO 23 -2.344 -4.287 -34.405 188 2HG PRO 23 2HG PRO 23 -2.290 -6.099 -34.444 189 1HD PRO 23 1HD PRO 23 -4.764 -4.281 -34.571 190 2HD PRO 23 2HD PRO 23 -4.373 -5.776 -35.541 191 H GLU 24 H GLU 24 -4.097 -7.769 -30.167 192 HA GLU 24 HA GLU 24 -5.208 -5.820 -28.337 193 1HB GLU 24 1HB GLU 24 -6.938 -7.659 -29.641 194 2HB GLU 24 2HB GLU 24 -6.707 -8.394 -28.038 195 1HG GLU 24 1HG GLU 24 -7.532 -5.428 -28.408 196 2HG GLU 24 2HG GLU 24 -8.716 -6.777 -28.495 197 H LEU 25 H LEU 25 -5.199 -6.668 -26.050 198 HA LEU 25 HA LEU 25 -2.816 -8.346 -25.591 199 1HB LEU 25 1HB LEU 25 -4.246 -7.050 -23.254 200 2HB LEU 25 2HB LEU 25 -2.544 -7.521 -23.460 201 HG LEU 25 HG LEU 25 -2.540 -5.526 -25.267 202 1HD1 LEU 25 1HD1 LEU 25 -4.070 -3.633 -24.330 203 2HD1 LEU 25 2HD1 LEU 25 -4.891 -4.894 -25.295 204 3HD1 LEU 25 3HD1 LEU 25 -5.000 -4.914 -23.492 205 1HD2 LEU 25 1HD2 LEU 25 -1.868 -3.947 -23.456 206 2HD2 LEU 25 2HD2 LEU 25 -1.160 -5.583 -23.208 207 3HD2 LEU 25 3HD2 LEU 25 -2.578 -5.060 -22.224 208 H THR 26 H THR 26 -2.963 -10.387 -24.210 209 HA THR 26 HA THR 26 -5.640 -11.542 -24.418 210 HB THR 26 HB THR 26 -4.448 -13.692 -23.855 211 HG1 THR 26 HG1 THR 26 -2.238 -13.604 -23.778 212 1HG2 THR 26 1HG2 THR 26 -3.281 -13.768 -26.050 213 2HG2 THR 26 2HG2 THR 26 -3.263 -11.969 -26.148 214 3HG2 THR 26 3HG2 THR 26 -4.828 -12.863 -26.197 215 H GLU 27 H GLU 27 -4.346 -13.293 -21.932 216 HA GLU 27 HA GLU 27 -6.205 -12.039 -20.036 217 1HB GLU 27 1HB GLU 27 -4.859 -14.812 -19.943 218 2HB GLU 27 2HB GLU 27 -6.098 -14.185 -18.807 219 1HG GLU 27 1HG GLU 27 -7.202 -15.692 -20.311 220 2HG GLU 27 2HG GLU 27 -7.740 -14.029 -20.753 221 H GLU 28 H GLU 28 -2.976 -13.726 -19.792 222 HA GLU 28 HA GLU 28 -2.154 -12.563 -17.371 223 1HB GLU 28 1HB GLU 28 -1.211 -14.618 -18.421 224 2HB GLU 28 2HB GLU 28 -0.430 -13.610 -19.685 225 1HG GLU 28 1HG GLU 28 1.043 -12.551 -17.982 226 2HG GLU 28 2HG GLU 28 0.142 -13.373 -16.651 227 H GLN 29 H GLN 29 -1.288 -11.381 -20.804 228 HA GLN 29 HA GLN 29 0.418 -9.327 -19.951 229 1HB GLN 29 1HB GLN 29 0.066 -10.283 -22.287 230 2HB GLN 29 2HB GLN 29 -1.483 -9.387 -22.370 231 1HG GLN 29 1HG GLN 29 -0.099 -7.209 -22.116 232 2HG GLN 29 2HG GLN 29 1.383 -8.238 -22.229 233 1HE2 GLN 29 1HE2 GLN 29 1.236 -6.409 -24.200 234 2HE2 GLN 29 2HE2 GLN 29 0.653 -7.059 -25.697 235 H LYS 30 H LYS 30 -3.159 -9.092 -20.605 236 HA LYS 30 HA LYS 30 -3.507 -6.343 -20.085 237 1HB LYS 30 1HB LYS 30 -5.013 -7.946 -21.300 238 2HB LYS 30 2HB LYS 30 -5.497 -8.656 -19.737 239 1HG LYS 30 1HG LYS 30 -6.624 -6.605 -19.075 240 2HG LYS 30 2HG LYS 30 -5.908 -5.669 -20.436 241 1HD LYS 30 1HD LYS 30 -7.619 -8.156 -20.942 242 2HD LYS 30 2HD LYS 30 -8.401 -6.565 -20.648 243 1HE LYS 30 1HE LYS 30 -7.653 -5.612 -22.669 244 2HE LYS 30 2HE LYS 30 -6.220 -6.696 -22.787 245 1HZ LYS 30 1HZ LYS 30 -8.084 -7.082 -24.393 246 2HZ LYS 30 2HZ LYS 30 -7.452 -8.415 -23.577 247 3HZ LYS 30 3HZ LYS 30 -8.962 -7.766 -23.109 248 H GLN 31 H GLN 31 -4.071 -9.194 -17.834 249 HA GLN 31 HA GLN 31 -4.549 -7.765 -15.468 250 1HB GLN 31 1HB GLN 31 -4.839 -10.238 -15.797 251 2HB GLN 31 2HB GLN 31 -3.058 -10.419 -15.881 252 1HG GLN 31 1HG GLN 31 -2.906 -9.605 -13.458 253 2HG GLN 31 2HG GLN 31 -4.702 -9.456 -13.432 254 1HE2 GLN 31 1HE2 GLN 31 -2.091 -11.867 -14.297 255 2HE2 GLN 31 2HE2 GLN 31 -2.926 -13.253 -13.674 256 H GLU 32 H GLU 32 -1.215 -8.872 -16.740 257 HA GLU 32 HA GLU 32 0.331 -7.903 -14.651 258 1HB GLU 32 1HB GLU 32 0.926 -8.035 -17.644 259 2HB GLU 32 2HB GLU 32 2.160 -7.502 -16.451 260 1HG GLU 32 1HG GLU 32 2.070 -9.645 -15.256 261 2HG GLU 32 2HG GLU 32 0.816 -10.273 -16.384 262 H ILE 33 H ILE 33 -0.512 -5.914 -17.627 263 HA ILE 33 HA ILE 33 1.000 -3.755 -16.512 264 HB ILE 33 HB ILE 33 0.784 -2.345 -18.176 265 1HG1 ILE 33 1HG1 ILE 33 -1.633 -2.303 -18.614 266 2HG1 ILE 33 2HG1 ILE 33 -0.638 -2.403 -20.096 267 1HG2 ILE 33 1HG2 ILE 33 2.136 -4.484 -18.358 268 2HG2 ILE 33 2HG2 ILE 33 0.856 -5.159 -19.426 269 3HG2 ILE 33 3HG2 ILE 33 1.762 -3.667 -19.905 270 1HD1 ILE 33 1HD1 ILE 33 -2.701 -3.844 -20.201 271 2HD1 ILE 33 2HD1 ILE 33 -2.075 -4.807 -18.818 272 3HD1 ILE 33 3HD1 ILE 33 -1.183 -4.798 -20.381 273 H ARG 34 H ARG 34 -2.638 -4.338 -16.446 274 HA ARG 34 HA ARG 34 -3.047 -1.862 -15.018 275 1HB ARG 34 1HB ARG 34 -4.951 -2.967 -16.218 276 2HB ARG 34 2HB ARG 34 -4.858 -4.329 -15.059 277 1HG ARG 34 1HG ARG 34 -6.713 -2.857 -14.439 278 2HG ARG 34 2HG ARG 34 -5.442 -2.791 -13.184 279 1HD ARG 34 1HD ARG 34 -4.639 -0.571 -14.431 280 2HD ARG 34 2HD ARG 34 -6.257 -0.635 -15.242 281 HE ARG 34 HE ARG 34 -6.428 -0.921 -12.313 282 1HH1 ARG 34 1HH1 ARG 34 -6.000 1.557 -14.891 283 2HH1 ARG 34 2HH1 ARG 34 -6.228 2.875 -13.794 284 1HH2 ARG 34 1HH2 ARG 34 -6.689 0.877 -10.885 285 2HH2 ARG 34 2HH2 ARG 34 -6.553 2.512 -11.488 286 H GLU 35 H GLU 35 -2.205 -5.296 -13.749 287 HA GLU 35 HA GLU 35 -2.606 -4.717 -11.042 288 1HB GLU 35 1HB GLU 35 -1.976 -6.930 -11.959 289 2HB GLU 35 2HB GLU 35 -0.324 -6.347 -12.308 290 1HG GLU 35 1HG GLU 35 -1.535 -6.388 -9.453 291 2HG GLU 35 2HG GLU 35 -0.747 -7.825 -10.200 292 H ALA 36 H ALA 36 0.540 -4.057 -12.900 293 HA ALA 36 HA ALA 36 1.767 -2.564 -10.870 294 1HB ALA 36 1HB ALA 36 2.950 -3.252 -12.950 295 2HB ALA 36 2HB ALA 36 1.952 -2.099 -13.907 296 3HB ALA 36 3HB ALA 36 3.119 -1.482 -12.672 297 H PHE 37 H PHE 37 -0.328 -1.138 -13.571 298 HA PHE 37 HA PHE 37 -0.159 1.515 -12.657 299 1HB PHE 37 1HB PHE 37 -1.091 0.549 -14.902 300 2HB PHE 37 2HB PHE 37 -2.651 0.344 -14.046 301 HD1 PHE 37 HD1 PHE 37 -0.419 2.649 -15.756 302 HD2 PHE 37 HD2 PHE 37 -3.708 2.467 -12.995 303 HE1 PHE 37 HE1 PHE 37 -1.015 4.971 -16.311 304 HE2 PHE 37 HE2 PHE 37 -4.251 4.828 -13.498 305 HZ PHE 37 HZ PHE 37 -2.888 6.082 -15.142 306 H ASP 38 H ASP 38 -2.895 -0.880 -11.877 307 HA ASP 38 HA ASP 38 -4.275 0.726 -10.060 308 1HB ASP 38 1HB ASP 38 -4.787 -1.662 -11.131 309 2HB ASP 38 2HB ASP 38 -3.977 -2.306 -9.672 310 H LEU 39 H LEU 39 -1.336 -1.378 -9.314 311 HA LEU 39 HA LEU 39 -1.321 -1.083 -6.554 312 1HB LEU 39 1HB LEU 39 0.255 -2.528 -7.878 313 2HB LEU 39 2HB LEU 39 1.081 -1.054 -8.465 314 HG LEU 39 HG LEU 39 1.765 -0.502 -6.113 315 1HD1 LEU 39 1HD1 LEU 39 1.603 -2.259 -4.330 316 2HD1 LEU 39 2HD1 LEU 39 -0.016 -1.645 -4.808 317 3HD1 LEU 39 3HD1 LEU 39 0.548 -3.252 -5.405 318 1HD2 LEU 39 1HD2 LEU 39 2.607 -3.297 -7.104 319 2HD2 LEU 39 2HD2 LEU 39 3.523 -2.256 -5.947 320 3HD2 LEU 39 3HD2 LEU 39 3.284 -1.717 -7.651 321 H PHE 40 H PHE 40 0.052 1.277 -9.004 322 HA PHE 40 HA PHE 40 0.545 3.248 -6.890 323 1HB PHE 40 1HB PHE 40 0.874 3.529 -9.916 324 2HB PHE 40 2HB PHE 40 1.338 4.779 -8.681 325 HD1 PHE 40 HD1 PHE 40 2.294 1.613 -10.257 326 HD2 PHE 40 HD2 PHE 40 2.981 4.139 -6.854 327 HE1 PHE 40 HE1 PHE 40 4.258 0.251 -9.647 328 HE2 PHE 40 HE2 PHE 40 4.992 2.814 -6.280 329 HZ PHE 40 HZ PHE 40 5.610 0.844 -7.661 330 H ASP 41 H ASP 41 -1.909 2.957 -9.591 331 HA ASP 41 HA ASP 41 -3.377 5.295 -8.710 332 1HB ASP 41 1HB ASP 41 -3.207 4.656 -11.115 333 2HB ASP 41 2HB ASP 41 -4.039 3.106 -10.762 334 H ALA 42 H ALA 42 -3.635 4.406 -6.381 335 HA ALA 42 HA ALA 42 -5.432 2.091 -6.104 336 1HB ALA 42 1HB ALA 42 -4.729 2.075 -3.727 337 2HB ALA 42 2HB ALA 42 -3.305 2.126 -4.827 338 3HB ALA 42 3HB ALA 42 -3.833 3.623 -3.975 339 H ASP 43 H ASP 43 -5.348 5.470 -4.666 340 HA ASP 43 HA ASP 43 -7.879 5.052 -3.337 341 1HB ASP 43 1HB ASP 43 -6.119 7.563 -3.575 342 2HB ASP 43 2HB ASP 43 -7.564 7.416 -2.504 343 H GLY 44 H GLY 44 -6.937 6.761 -6.330 344 1HA GLY 44 1HA GLY 44 -9.029 7.115 -7.764 345 2HA GLY 44 2HA GLY 44 -9.444 8.280 -6.444 346 H THR 45 H THR 45 -7.012 7.525 -9.016 347 HA THR 45 HA THR 45 -5.977 10.292 -8.775 348 HB THR 45 HB THR 45 -3.923 8.692 -9.959 349 HG1 THR 45 HG1 THR 45 -4.847 6.894 -9.096 350 1HG2 THR 45 1HG2 THR 45 -3.677 10.760 -8.553 351 2HG2 THR 45 2HG2 THR 45 -2.716 9.387 -7.893 352 3HG2 THR 45 3HG2 THR 45 -4.273 9.855 -7.109 353 H GLY 46 H GLY 46 -5.860 7.617 -11.342 354 1HA GLY 46 1HA GLY 46 -6.642 8.014 -13.567 355 2HA GLY 46 2HA GLY 46 -6.452 9.787 -13.343 356 H THR 47 H THR 47 -3.879 10.129 -12.443 357 HA THR 47 HA THR 47 -2.176 8.870 -14.511 358 HB THR 47 HB THR 47 -0.575 10.772 -14.136 359 HG1 THR 47 HG1 THR 47 -1.410 11.396 -12.123 360 1HG2 THR 47 1HG2 THR 47 -2.173 10.671 -16.064 361 2HG2 THR 47 2HG2 THR 47 -1.925 12.364 -15.507 362 3HG2 THR 47 3HG2 THR 47 -3.442 11.489 -15.078 363 H ILE 48 H ILE 48 -0.271 7.980 -14.063 364 HA ILE 48 HA ILE 48 0.712 7.789 -11.263 365 HB ILE 48 HB ILE 48 0.107 5.526 -12.016 366 1HG1 ILE 48 1HG1 ILE 48 3.134 6.099 -12.157 367 2HG1 ILE 48 2HG1 ILE 48 2.144 5.624 -10.739 368 1HG2 ILE 48 1HG2 ILE 48 1.870 5.912 -14.517 369 2HG2 ILE 48 2HG2 ILE 48 0.078 6.076 -14.515 370 3HG2 ILE 48 3HG2 ILE 48 0.831 4.515 -14.093 371 1HD1 ILE 48 1HD1 ILE 48 3.421 3.676 -11.510 372 2HD1 ILE 48 2HD1 ILE 48 2.882 3.899 -13.205 373 3HD1 ILE 48 3HD1 ILE 48 1.696 3.381 -11.951 374 H ASP 49 H ASP 49 2.609 8.973 -11.104 375 HA ASP 49 HA ASP 49 3.543 10.279 -13.599 376 1HB ASP 49 1HB ASP 49 3.946 11.038 -10.652 377 2HB ASP 49 2HB ASP 49 4.694 11.924 -12.033 378 H VAL 50 H VAL 50 5.951 10.873 -13.724 379 HA VAL 50 HA VAL 50 7.278 8.621 -14.259 380 HB VAL 50 HB VAL 50 7.725 10.798 -15.196 381 1HG1 VAL 50 1HG1 VAL 50 9.336 11.383 -12.622 382 2HG1 VAL 50 2HG1 VAL 50 7.766 12.146 -13.088 383 3HG1 VAL 50 3HG1 VAL 50 9.233 12.412 -14.093 384 1HG2 VAL 50 1HG2 VAL 50 10.295 9.422 -14.184 385 2HG2 VAL 50 2HG2 VAL 50 9.287 8.889 -15.583 386 3HG2 VAL 50 3HG2 VAL 50 10.116 10.487 -15.624 387 H LYS 51 H LYS 51 7.623 10.090 -10.987 388 HA LYS 51 HA LYS 51 9.760 8.453 -10.049 389 1HB LYS 51 1HB LYS 51 7.363 9.575 -8.479 390 2HB LYS 51 2HB LYS 51 8.898 8.964 -7.766 391 1HG LYS 51 1HG LYS 51 10.157 10.806 -8.886 392 2HG LYS 51 2HG LYS 51 8.644 11.389 -9.666 393 1HD LYS 51 1HD LYS 51 7.628 11.780 -7.412 394 2HD LYS 51 2HD LYS 51 9.180 11.289 -6.638 395 1HE LYS 51 1HE LYS 51 10.362 13.205 -7.773 396 2HE LYS 51 2HE LYS 51 8.818 13.674 -8.596 397 1HZ LYS 51 1HZ LYS 51 7.844 14.068 -6.436 398 2HZ LYS 51 2HZ LYS 51 9.245 14.999 -6.658 399 3HZ LYS 51 3HZ LYS 51 9.288 13.629 -5.657 400 H GLU 52 H GLU 52 6.157 7.984 -9.475 401 HA GLU 52 HA GLU 52 6.199 5.350 -8.488 402 1HB GLU 52 1HB GLU 52 4.131 6.852 -10.184 403 2HB GLU 52 2HB GLU 52 3.765 5.417 -9.164 404 1HG GLU 52 1HG GLU 52 4.151 6.695 -7.110 405 2HG GLU 52 2HG GLU 52 4.798 8.113 -8.022 406 H LEU 53 H LEU 53 5.750 6.492 -11.996 407 HA LEU 53 HA LEU 53 5.494 3.942 -13.144 408 1HB LEU 53 1HB LEU 53 5.083 6.186 -14.242 409 2HB LEU 53 2HB LEU 53 6.857 6.428 -14.321 410 HG LEU 53 HG LEU 53 7.062 4.448 -15.835 411 1HD1 LEU 53 1HD1 LEU 53 3.983 4.316 -15.626 412 2HD1 LEU 53 2HD1 LEU 53 4.971 3.450 -16.862 413 3HD1 LEU 53 3HD1 LEU 53 5.160 3.045 -15.124 414 1HD2 LEU 53 1HD2 LEU 53 4.989 6.513 -16.809 415 2HD2 LEU 53 2HD2 LEU 53 6.067 5.495 -17.839 416 3HD2 LEU 53 3HD2 LEU 53 6.776 6.751 -16.760 417 H LYS 54 H LYS 54 8.621 5.624 -12.224 418 HA LYS 54 HA LYS 54 10.300 3.673 -13.398 419 1HB LYS 54 1HB LYS 54 10.938 6.026 -12.455 420 2HB LYS 54 2HB LYS 54 11.046 5.216 -10.864 421 1HG LYS 54 1HG LYS 54 13.265 5.341 -11.829 422 2HG LYS 54 2HG LYS 54 12.770 3.613 -11.915 423 1HD LYS 54 1HD LYS 54 12.182 3.908 -14.337 424 2HD LYS 54 2HD LYS 54 12.579 5.659 -14.222 425 1HE LYS 54 1HE LYS 54 14.986 5.075 -13.730 426 2HE LYS 54 2HE LYS 54 14.575 3.314 -13.843 427 1HZ LYS 54 1HZ LYS 54 13.905 3.675 -16.125 428 2HZ LYS 54 2HZ LYS 54 14.292 5.326 -16.019 429 3HZ LYS 54 3HZ LYS 54 15.513 4.156 -15.872 430 H VAL 55 H VAL 55 8.979 3.859 -9.996 431 HA VAL 55 HA VAL 55 9.998 1.351 -9.133 432 HB VAL 55 HB VAL 55 7.397 2.619 -8.185 433 1HG1 VAL 55 1HG1 VAL 55 8.008 1.427 -6.048 434 2HG1 VAL 55 2HG1 VAL 55 7.797 0.253 -7.389 435 3HG1 VAL 55 3HG1 VAL 55 9.453 0.711 -6.850 436 1HG2 VAL 55 1HG2 VAL 55 10.335 3.160 -7.370 437 2HG2 VAL 55 2HG2 VAL 55 9.177 4.343 -8.086 438 3HG2 VAL 55 3HG2 VAL 55 8.890 3.704 -6.440 439 H ALA 56 H ALA 56 6.933 2.119 -10.948 440 HA ALA 56 HA ALA 56 5.893 -0.483 -11.064 441 1HB ALA 56 1HB ALA 56 5.739 1.624 -13.291 442 2HB ALA 56 2HB ALA 56 4.642 1.537 -11.867 443 3HB ALA 56 3HB ALA 56 4.651 0.208 -13.080 444 H MET 57 H MET 57 8.388 0.982 -13.242 445 HA MET 57 HA MET 57 8.672 -1.375 -14.846 446 1HB MET 57 1HB MET 57 10.387 1.110 -14.617 447 2HB MET 57 2HB MET 57 10.712 -0.254 -15.756 448 1HG MET 57 1HG MET 57 8.483 -0.033 -16.772 449 2HG MET 57 2HG MET 57 8.002 1.212 -15.589 450 1HE MET 57 1HE MET 57 7.012 2.509 -17.253 451 2HE MET 57 2HE MET 57 7.512 1.545 -18.680 452 3HE MET 57 3HE MET 57 7.792 3.323 -18.648 453 H ARG 58 H ARG 58 10.318 -0.463 -11.756 454 HA ARG 58 HA ARG 58 12.287 -2.526 -11.810 455 1HB ARG 58 1HB ARG 58 10.713 -1.488 -9.380 456 2HB ARG 58 2HB ARG 58 12.223 -2.462 -9.308 457 1HG ARG 58 1HG ARG 58 13.496 -0.611 -10.367 458 2HG ARG 58 2HG ARG 58 11.978 0.333 -10.562 459 1HD ARG 58 1HD ARG 58 11.670 0.257 -8.019 460 2HD ARG 58 2HD ARG 58 13.345 -0.441 -7.896 461 HE ARG 58 HE ARG 58 13.585 1.849 -9.523 462 1HH1 ARG 58 1HH1 ARG 58 12.462 1.159 -6.187 463 2HH1 ARG 58 2HH1 ARG 58 12.845 2.712 -5.569 464 1HH2 ARG 58 1HH2 ARG 58 14.124 3.989 -8.660 465 2HH2 ARG 58 2HH2 ARG 58 13.813 4.362 -7.015 466 H ALA 59 H ALA 59 8.817 -2.657 -10.456 467 HA ALA 59 HA ALA 59 8.870 -5.484 -10.026 468 1HB ALA 59 1HB ALA 59 6.467 -3.620 -10.478 469 2HB ALA 59 2HB ALA 59 7.230 -3.992 -8.890 470 3HB ALA 59 3HB ALA 59 6.392 -5.293 -9.808 471 H LEU 60 H LEU 60 7.457 -3.626 -12.912 472 HA LEU 60 HA LEU 60 6.502 -6.061 -14.106 473 1HB LEU 60 1HB LEU 60 5.385 -3.813 -14.272 474 2HB LEU 60 2HB LEU 60 6.751 -3.237 -15.274 475 HG LEU 60 HG LEU 60 6.148 -4.941 -17.034 476 1HD1 LEU 60 1HD1 LEU 60 3.681 -5.516 -15.261 477 2HD1 LEU 60 2HD1 LEU 60 3.922 -6.076 -16.958 478 3HD1 LEU 60 3HD1 LEU 60 5.007 -6.675 -15.659 479 1HD2 LEU 60 1HD2 LEU 60 4.176 -3.744 -17.889 480 2HD2 LEU 60 2HD2 LEU 60 3.826 -3.075 -16.250 481 3HD2 LEU 60 3HD2 LEU 60 5.324 -2.583 -17.129 482 H GLY 61 H GLY 61 9.490 -4.073 -14.795 483 1HA GLY 61 1HA GLY 61 10.086 -5.189 -17.307 484 2HA GLY 61 2HA GLY 61 11.219 -4.445 -16.130 485 H PHE 62 H PHE 62 11.448 -6.181 -14.099 486 HA PHE 62 HA PHE 62 12.349 -8.032 -13.301 487 1HB PHE 62 1HB PHE 62 11.124 -9.557 -15.691 488 2HB PHE 62 2HB PHE 62 11.900 -10.323 -14.263 489 HD1 PHE 62 HD1 PHE 62 10.897 -9.833 -11.945 490 HD2 PHE 62 HD2 PHE 62 8.839 -9.058 -15.639 491 HE1 PHE 62 HE1 PHE 62 8.724 -9.992 -10.772 492 HE2 PHE 62 HE2 PHE 62 6.671 -9.219 -14.468 493 HZ PHE 62 HZ PHE 62 6.606 -9.700 -12.034 494 H GLU 63 H GLU 63 12.707 -8.886 -16.753 495 HA GLU 63 HA GLU 63 15.614 -8.805 -16.701 496 1HB GLU 63 1HB GLU 63 14.069 -11.448 -17.081 497 2HB GLU 63 2HB GLU 63 15.793 -11.192 -17.535 498 1HG GLU 63 1HG GLU 63 16.339 -10.704 -15.117 499 2HG GLU 63 2HG GLU 63 14.626 -11.055 -14.678 500 HA PRO 64 HA PRO 64 13.323 -8.595 -20.795 501 1HB PRO 64 1HB PRO 64 13.398 -5.983 -21.643 502 2HB PRO 64 2HB PRO 64 12.542 -6.447 -20.133 503 1HG PRO 64 1HG PRO 64 15.412 -5.365 -20.365 504 2HG PRO 64 2HG PRO 64 14.045 -4.681 -19.387 505 1HD PRO 64 1HD PRO 64 15.903 -6.476 -18.308 506 2HD PRO 64 2HD PRO 64 14.148 -6.495 -17.812 507 H LYS 65 H LYS 65 13.940 -7.126 -23.239 508 HA LYS 65 HA LYS 65 15.933 -8.926 -24.141 509 1HB LYS 65 1HB LYS 65 13.898 -8.147 -25.445 510 2HB LYS 65 2HB LYS 65 14.721 -6.593 -25.719 511 1HG LYS 65 1HG LYS 65 14.895 -8.086 -27.685 512 2HG LYS 65 2HG LYS 65 16.517 -7.716 -27.012 513 1HD LYS 65 1HD LYS 65 16.358 -10.062 -27.726 514 2HD LYS 65 2HD LYS 65 16.655 -9.943 -25.962 515 1HE LYS 65 1HE LYS 65 14.189 -10.417 -25.532 516 2HE LYS 65 2HE LYS 65 13.932 -10.567 -27.316 517 1HZ LYS 65 1HZ LYS 65 15.492 -12.402 -27.318 518 2HZ LYS 65 2HZ LYS 65 14.213 -12.681 -26.239 519 3HZ LYS 65 3HZ LYS 65 15.739 -12.242 -25.647 520 H LYS 66 H LYS 66 16.111 -5.256 -24.241 521 HA LYS 66 HA LYS 66 18.881 -5.381 -23.464 522 1HB LYS 66 1HB LYS 66 19.129 -5.607 -25.943 523 2HB LYS 66 2HB LYS 66 18.167 -4.120 -26.193 524 1HG LYS 66 1HG LYS 66 19.931 -2.782 -25.061 525 2HG LYS 66 2HG LYS 66 20.870 -4.267 -24.697 526 1HD LYS 66 1HD LYS 66 21.285 -4.708 -27.044 527 2HD LYS 66 2HD LYS 66 20.126 -3.444 -27.573 528 1HE LYS 66 1HE LYS 66 22.707 -2.816 -25.973 529 2HE LYS 66 2HE LYS 66 22.602 -2.807 -27.780 530 1HZ LYS 66 1HZ LYS 66 20.974 -1.099 -25.936 531 2HZ LYS 66 2HZ LYS 66 22.306 -0.617 -26.879 532 3HZ LYS 66 3HZ LYS 66 20.863 -1.139 -27.609 533 H GLU 67 H GLU 67 17.127 -2.699 -25.223 534 HA GLU 67 HA GLU 67 16.977 -1.122 -22.768 535 1HB GLU 67 1HB GLU 67 16.086 -0.501 -25.634 536 2HB GLU 67 2HB GLU 67 15.692 0.561 -24.230 537 1HG GLU 67 1HG GLU 67 17.561 1.517 -25.345 538 2HG GLU 67 2HG GLU 67 18.076 0.917 -23.727 539 H GLU 68 H GLU 68 14.204 -0.700 -24.763 540 HA GLU 68 HA GLU 68 12.052 -1.176 -24.701 541 1HB GLU 68 1HB GLU 68 12.408 -3.234 -22.468 542 2HB GLU 68 2HB GLU 68 10.893 -2.854 -23.345 543 1HG GLU 68 1HG GLU 68 11.981 -3.605 -25.512 544 2HG GLU 68 2HG GLU 68 13.470 -4.038 -24.587 545 H ILE 69 H ILE 69 13.287 -1.281 -21.353 546 HA ILE 69 HA ILE 69 11.047 0.137 -20.251 547 HB ILE 69 HB ILE 69 13.891 -0.486 -19.255 548 1HG1 ILE 69 1HG1 ILE 69 12.705 -2.554 -19.846 549 2HG1 ILE 69 2HG1 ILE 69 12.912 -2.407 -18.082 550 1HG2 ILE 69 1HG2 ILE 69 12.951 -0.241 -16.932 551 2HG2 ILE 69 2HG2 ILE 69 12.960 1.312 -17.834 552 3HG2 ILE 69 3HG2 ILE 69 11.427 0.386 -17.654 553 1HD1 ILE 69 1HD1 ILE 69 10.508 -1.721 -17.829 554 2HD1 ILE 69 2HD1 ILE 69 10.673 -3.311 -18.654 555 3HD1 ILE 69 3HD1 ILE 69 10.281 -1.849 -19.617 556 H LYS 70 H LYS 70 14.458 1.128 -21.017 557 HA LYS 70 HA LYS 70 14.366 3.854 -20.365 558 1HB LYS 70 1HB LYS 70 16.437 2.540 -20.936 559 2HB LYS 70 2HB LYS 70 15.899 2.474 -22.646 560 1HG LYS 70 1HG LYS 70 16.054 4.985 -22.777 561 2HG LYS 70 2HG LYS 70 16.565 5.035 -21.053 562 1HD LYS 70 1HD LYS 70 18.604 3.705 -21.625 563 2HD LYS 70 2HD LYS 70 18.063 3.609 -23.341 564 1HE LYS 70 1HE LYS 70 18.201 6.123 -23.531 565 2HE LYS 70 2HE LYS 70 18.762 6.218 -21.812 566 1HZ LYS 70 1HZ LYS 70 20.681 4.905 -22.425 567 2HZ LYS 70 2HZ LYS 70 20.572 6.315 -23.363 568 3HZ LYS 70 3HZ LYS 70 20.154 4.816 -24.038 569 H LYS 71 H LYS 71 13.233 2.208 -23.422 570 HA LYS 71 HA LYS 71 12.562 4.559 -24.879 571 1HB LYS 71 1HB LYS 71 11.271 1.778 -25.035 572 2HB LYS 71 2HB LYS 71 11.059 3.119 -26.211 573 1HG LYS 71 1HG LYS 71 13.537 3.098 -26.653 574 2HG LYS 71 2HG LYS 71 13.698 1.641 -25.607 575 1HD LYS 71 1HD LYS 71 12.143 0.388 -27.108 576 2HD LYS 71 2HD LYS 71 11.895 1.874 -28.095 577 1HE LYS 71 1HE LYS 71 14.357 1.875 -28.700 578 2HE LYS 71 2HE LYS 71 14.567 0.328 -27.784 579 1HZ LYS 71 1HZ LYS 71 12.970 -0.696 -29.276 580 2HZ LYS 71 2HZ LYS 71 12.772 0.763 -30.120 581 3HZ LYS 71 3HZ LYS 71 14.273 -0.026 -30.133 582 H MET 72 H MET 72 10.254 2.405 -22.864 583 HA MET 72 HA MET 72 8.063 4.086 -23.186 584 1HB MET 72 1HB MET 72 8.729 2.129 -20.962 585 2HB MET 72 2HB MET 72 7.278 3.181 -20.862 586 1HG MET 72 1HG MET 72 6.477 1.186 -21.679 587 2HG MET 72 2HG MET 72 6.439 2.329 -23.045 588 1HE MET 72 1HE MET 72 8.411 2.332 -24.969 589 2HE MET 72 2HE MET 72 6.913 1.443 -25.389 590 3HE MET 72 3HE MET 72 8.514 0.742 -25.790 591 H ILE 73 H ILE 73 10.527 4.457 -20.424 592 HA ILE 73 HA ILE 73 9.278 6.793 -19.349 593 HB ILE 73 HB ILE 73 12.236 6.025 -19.391 594 1HG1 ILE 73 1HG1 ILE 73 10.809 4.324 -18.281 595 2HG1 ILE 73 2HG1 ILE 73 11.930 5.140 -17.159 596 1HG2 ILE 73 1HG2 ILE 73 12.129 8.422 -18.884 597 2HG2 ILE 73 2HG2 ILE 73 12.390 7.553 -17.339 598 3HG2 ILE 73 3HG2 ILE 73 10.752 8.186 -17.748 599 1HD1 ILE 73 1HD1 ILE 73 8.907 5.730 -17.394 600 2HD1 ILE 73 2HD1 ILE 73 9.724 4.824 -16.076 601 3HD1 ILE 73 3HD1 ILE 73 10.047 6.577 -16.280 602 H SER 74 H SER 74 11.793 6.555 -22.031 603 HA SER 74 HA SER 74 12.101 9.370 -22.328 604 1HB SER 74 1HB SER 74 12.624 7.180 -24.420 605 2HB SER 74 2HB SER 74 13.225 8.884 -24.482 606 HG SER 74 HG SER 74 13.897 6.788 -22.724 607 H GLU 75 H GLU 75 9.869 7.082 -24.106 608 HA GLU 75 HA GLU 75 8.832 9.030 -25.876 609 1HB GLU 75 1HB GLU 75 7.668 6.376 -24.912 610 2HB GLU 75 2HB GLU 75 6.726 7.520 -25.917 611 1HG GLU 75 1HG GLU 75 7.525 6.301 -27.628 612 2HG GLU 75 2HG GLU 75 8.849 7.509 -27.531 613 H ILE 76 H ILE 76 7.493 8.119 -22.512 614 HA ILE 76 HA ILE 76 5.388 10.146 -22.798 615 HB ILE 76 HB ILE 76 6.551 8.296 -20.662 616 1HG1 ILE 76 1HG1 ILE 76 5.167 7.282 -22.485 617 2HG1 ILE 76 2HG1 ILE 76 4.499 7.065 -20.845 618 1HG2 ILE 76 1HG2 ILE 76 5.889 10.119 -19.264 619 2HG2 ILE 76 2HG2 ILE 76 4.537 8.941 -19.202 620 3HG2 ILE 76 3HG2 ILE 76 4.404 10.421 -20.242 621 1HD1 ILE 76 1HD1 ILE 76 2.796 8.852 -21.247 622 2HD1 ILE 76 2HD1 ILE 76 2.711 7.562 -22.500 623 3HD1 ILE 76 3HD1 ILE 76 3.472 9.139 -22.895 624 H ASP 77 H ASP 77 8.601 10.072 -20.872 625 HA ASP 77 HA ASP 77 8.243 12.972 -20.372 626 1HB ASP 77 1HB ASP 77 8.960 11.346 -18.471 627 2HB ASP 77 2HB ASP 77 10.526 11.183 -19.328 628 H LYS 78 H LYS 78 8.566 13.611 -22.613 629 HA LYS 78 HA LYS 78 10.961 12.646 -24.034 630 1HB LYS 78 1HB LYS 78 8.757 12.334 -25.055 631 2HB LYS 78 2HB LYS 78 8.421 14.092 -24.957 632 1HG LYS 78 1HG LYS 78 10.185 14.572 -26.594 633 2HG LYS 78 2HG LYS 78 10.695 12.849 -26.636 634 1HD LYS 78 1HD LYS 78 8.697 12.138 -27.715 635 2HD LYS 78 2HD LYS 78 7.791 13.618 -27.264 636 1HE LYS 78 1HE LYS 78 10.166 13.640 -29.254 637 2HE LYS 78 2HE LYS 78 8.428 13.480 -29.735 638 1HZ LYS 78 1HZ LYS 78 9.110 15.744 -29.869 639 2HZ LYS 78 2HZ LYS 78 9.649 15.785 -28.261 640 3HZ LYS 78 3HZ LYS 78 8.014 15.591 -28.580 641 H GLU 79 H GLU 79 9.271 15.885 -23.856 642 HA GLU 79 HA GLU 79 11.789 17.309 -24.306 643 1HB GLU 79 1HB GLU 79 8.878 18.167 -23.932 644 2HB GLU 79 2HB GLU 79 10.208 19.360 -23.745 645 1HG GLU 79 1HG GLU 79 9.284 19.494 -26.005 646 2HG GLU 79 2HG GLU 79 11.011 18.989 -26.021 647 H GLY 80 H GLY 80 9.271 17.347 -21.602 648 1HA GLY 80 1HA GLY 80 11.019 16.570 -19.657 649 2HA GLY 80 2HA GLY 80 11.076 18.365 -19.663 650 H THR 81 H THR 81 8.207 16.099 -19.958 651 HA THR 81 HA THR 81 7.401 16.749 -17.237 652 HB THR 81 HB THR 81 4.974 17.204 -17.998 653 HG1 THR 81 HG1 THR 81 5.332 16.640 -20.158 654 1HG2 THR 81 1HG2 THR 81 5.339 19.629 -18.244 655 2HG2 THR 81 2HG2 THR 81 7.068 19.377 -18.676 656 3HG2 THR 81 3HG2 THR 81 6.486 18.973 -17.018 657 H GLY 82 H GLY 82 7.449 14.488 -16.610 658 1HA GLY 82 1HA GLY 82 6.232 12.548 -18.471 659 2HA GLY 82 2HA GLY 82 7.339 12.260 -17.097 660 H LYS 83 H LYS 83 4.120 12.512 -18.178 661 HA LYS 83 HA LYS 83 3.134 11.289 -15.672 662 1HB LYS 83 1HB LYS 83 1.617 13.228 -17.517 663 2HB LYS 83 2HB LYS 83 0.816 12.141 -16.330 664 1HG LYS 83 1HG LYS 83 2.143 13.168 -14.489 665 2HG LYS 83 2HG LYS 83 2.787 14.394 -15.622 666 1HD LYS 83 1HD LYS 83 0.674 15.423 -15.931 667 2HD LYS 83 2HD LYS 83 -0.246 13.967 -15.439 668 1HE LYS 83 1HE LYS 83 1.445 15.627 -13.450 669 2HE LYS 83 2HE LYS 83 -0.321 15.890 -13.756 670 1HZ LYS 83 1HZ LYS 83 0.922 13.355 -12.758 671 2HZ LYS 83 2HZ LYS 83 0.082 14.496 -11.849 672 3HZ LYS 83 3HZ LYS 83 -0.728 13.608 -13.052 673 H MET 84 H MET 84 1.731 9.498 -15.956 674 HA MET 84 HA MET 84 1.089 8.718 -18.739 675 1HB MET 84 1HB MET 84 2.999 7.346 -17.916 676 2HB MET 84 2HB MET 84 2.034 6.873 -16.483 677 1HG MET 84 1HG MET 84 0.374 5.748 -17.988 678 2HG MET 84 2HG MET 84 1.333 6.233 -19.418 679 1HE MET 84 1HE MET 84 4.329 3.942 -19.563 680 2HE MET 84 2HE MET 84 4.192 5.701 -19.230 681 3HE MET 84 3HE MET 84 3.113 4.930 -20.445 682 H ASN 85 H ASN 85 -1.124 8.569 -19.006 683 HA ASN 85 HA ASN 85 -2.740 7.827 -16.639 684 1HB ASN 85 1HB ASN 85 -4.639 8.746 -17.401 685 2HB ASN 85 2HB ASN 85 -3.455 9.900 -18.080 686 1HD2 ASN 85 1HD2 ASN 85 -2.880 9.476 -20.546 687 2HD2 ASN 85 2HD2 ASN 85 -4.237 9.050 -21.522 688 H PHE 86 H PHE 86 -4.634 6.126 -17.275 689 HA PHE 86 HA PHE 86 -3.203 3.825 -18.166 690 1HB PHE 86 1HB PHE 86 -5.033 3.804 -16.387 691 2HB PHE 86 2HB PHE 86 -6.240 3.932 -17.719 692 HD1 PHE 86 HD1 PHE 86 -3.097 1.920 -16.938 693 HD2 PHE 86 HD2 PHE 86 -7.155 1.857 -18.357 694 HE1 PHE 86 HE1 PHE 86 -2.927 -0.511 -17.301 695 HE2 PHE 86 HE2 PHE 86 -6.981 -0.582 -18.719 696 HZ PHE 86 HZ PHE 86 -4.862 -1.768 -18.213 697 H GLY 87 H GLY 87 -5.155 6.089 -20.126 698 1HA GLY 87 1HA GLY 87 -5.555 4.259 -22.329 699 2HA GLY 87 2HA GLY 87 -5.617 6.064 -22.329 700 H ASP 88 H ASP 88 -2.995 6.725 -21.449 701 HA ASP 88 HA ASP 88 -1.250 6.294 -23.591 702 1HB ASP 88 1HB ASP 88 -0.375 6.817 -20.681 703 2HB ASP 88 2HB ASP 88 0.591 7.097 -22.171 704 H PHE 89 H PHE 89 -1.364 4.497 -20.361 705 HA PHE 89 HA PHE 89 0.875 2.918 -20.956 706 1HB PHE 89 1HB PHE 89 -0.219 3.310 -18.612 707 2HB PHE 89 2HB PHE 89 -1.338 1.976 -19.029 708 HD1 PHE 89 HD1 PHE 89 -0.523 0.873 -17.029 709 HD2 PHE 89 HD2 PHE 89 2.275 1.682 -20.211 710 HE1 PHE 89 HE1 PHE 89 1.207 -0.475 -15.890 711 HE2 PHE 89 HE2 PHE 89 3.923 0.269 -19.121 712 HZ PHE 89 HZ PHE 89 3.426 -0.787 -16.933 713 H LEU 90 H LEU 90 -2.668 2.035 -21.252 714 HA LEU 90 HA LEU 90 -2.205 -0.579 -22.250 715 1HB LEU 90 1HB LEU 90 -4.345 0.473 -21.204 716 2HB LEU 90 2HB LEU 90 -4.656 1.175 -22.817 717 HG LEU 90 HG LEU 90 -4.626 -1.233 -23.743 718 1HD1 LEU 90 1HD1 LEU 90 -3.366 -2.397 -21.952 719 2HD1 LEU 90 2HD1 LEU 90 -5.023 -3.087 -22.060 720 3HD1 LEU 90 3HD1 LEU 90 -4.614 -1.945 -20.731 721 1HD2 LEU 90 1HD2 LEU 90 -6.924 -1.755 -22.950 722 2HD2 LEU 90 2HD2 LEU 90 -6.740 0.004 -23.301 723 3HD2 LEU 90 3HD2 LEU 90 -6.741 -0.579 -21.593 724 H THR 91 H THR 91 -2.610 2.593 -24.124 725 HA THR 91 HA THR 91 -2.515 1.315 -26.669 726 HB THR 91 HB THR 91 -1.919 3.480 -27.671 727 HG1 THR 91 HG1 THR 91 -1.841 5.259 -26.383 728 1HG2 THR 91 1HG2 THR 91 -4.285 2.761 -27.326 729 2HG2 THR 91 2HG2 THR 91 -4.294 3.473 -25.675 730 3HG2 THR 91 3HG2 THR 91 -4.124 4.541 -27.115 731 H VAL 92 H VAL 92 0.230 2.881 -24.729 732 HA VAL 92 HA VAL 92 2.154 2.155 -26.650 733 HB VAL 92 HB VAL 92 2.452 3.898 -24.909 734 1HG1 VAL 92 1HG1 VAL 92 3.423 3.320 -22.742 735 2HG1 VAL 92 2HG1 VAL 92 1.853 2.457 -22.901 736 3HG1 VAL 92 3HG1 VAL 92 3.401 1.561 -23.116 737 1HG2 VAL 92 1HG2 VAL 92 4.226 3.153 -26.494 738 2HG2 VAL 92 2HG2 VAL 92 4.923 3.584 -24.890 739 3HG2 VAL 92 3HG2 VAL 92 4.726 1.853 -25.349 740 H MET 93 H MET 93 1.184 0.179 -23.704 741 HA MET 93 HA MET 93 2.966 -1.950 -24.163 742 1HB MET 93 1HB MET 93 1.561 -1.683 -22.085 743 2HB MET 93 2HB MET 93 0.115 -2.141 -23.035 744 1HG MET 93 1HG MET 93 0.875 -4.066 -21.787 745 2HG MET 93 2HG MET 93 1.164 -4.400 -23.504 746 1HE MET 93 1HE MET 93 2.695 -6.450 -22.629 747 2HE MET 93 2HE MET 93 3.997 -6.260 -21.411 748 3HE MET 93 3HE MET 93 2.294 -5.926 -20.965 749 H THR 94 H THR 94 -0.504 -1.721 -25.400 750 HA THR 94 HA THR 94 -0.473 -4.084 -26.947 751 HB THR 94 HB THR 94 -1.968 -1.471 -27.575 752 HG1 THR 94 HG1 THR 94 -2.538 -1.890 -25.603 753 1HG2 THR 94 1HG2 THR 94 -2.137 -3.276 -29.385 754 2HG2 THR 94 2HG2 THR 94 -3.696 -2.983 -28.547 755 3HG2 THR 94 3HG2 THR 94 -2.720 -4.430 -28.125 756 H GLN 95 H GLN 95 0.035 -0.623 -28.252 757 HA GLN 95 HA GLN 95 0.722 -1.365 -30.846 758 1HB GLN 95 1HB GLN 95 0.168 0.939 -30.000 759 2HB GLN 95 2HB GLN 95 1.796 1.025 -29.252 760 1HG GLN 95 1HG GLN 95 2.840 0.855 -31.552 761 2HG GLN 95 2HG GLN 95 1.189 0.722 -32.276 762 1HE2 GLN 95 1HE2 GLN 95 2.461 2.755 -33.337 763 2HE2 GLN 95 2HE2 GLN 95 2.048 4.288 -32.642 764 H LYS 96 H LYS 96 3.032 -1.184 -28.015 765 HA LYS 96 HA LYS 96 5.370 -1.746 -29.576 766 1HB LYS 96 1HB LYS 96 5.309 -0.692 -27.289 767 2HB LYS 96 2HB LYS 96 4.824 -2.261 -26.589 768 1HG LYS 96 1HG LYS 96 7.514 -1.627 -27.994 769 2HG LYS 96 2HG LYS 96 7.192 -1.604 -26.229 770 1HD LYS 96 1HD LYS 96 6.456 -4.127 -26.558 771 2HD LYS 96 2HD LYS 96 7.351 -4.005 -28.106 772 1HE LYS 96 1HE LYS 96 8.861 -4.972 -26.515 773 2HE LYS 96 2HE LYS 96 9.429 -3.269 -26.735 774 1HZ LYS 96 1HZ LYS 96 9.290 -4.229 -24.443 775 2HZ LYS 96 2HZ LYS 96 7.599 -4.104 -24.545 776 3HZ LYS 96 3HZ LYS 96 8.546 -2.694 -24.651 777 H MET 97 H MET 97 3.370 -4.029 -27.417 778 HA MET 97 HA MET 97 5.021 -6.244 -28.295 779 1HB MET 97 1HB MET 97 2.657 -6.226 -26.382 780 2HB MET 97 2HB MET 97 3.607 -7.686 -26.834 781 1HG MET 97 1HG MET 97 5.702 -6.231 -26.161 782 2HG MET 97 2HG MET 97 4.520 -5.233 -25.255 783 1HE MET 97 1HE MET 97 7.124 -6.691 -24.141 784 2HE MET 97 2HE MET 97 6.506 -7.273 -22.558 785 3HE MET 97 3HE MET 97 6.007 -5.661 -23.170 786 H SER 98 H SER 98 1.366 -5.752 -28.639 787 HA SER 98 HA SER 98 1.253 -8.024 -30.442 788 1HB SER 98 1HB SER 98 -1.217 -7.502 -30.574 789 2HB SER 98 2HB SER 98 -0.607 -7.879 -28.917 790 HG SER 98 HG SER 98 -0.699 -5.270 -29.951 Start of MODEL 15 1 1H MET 1 1H MET 1 -11.402 11.134 -2.225 2 2H MET 1 2H MET 1 -11.322 12.679 -2.934 3 3H MET 1 3H MET 1 -9.973 11.660 -2.989 4 HA MET 1 HA MET 1 -11.125 12.925 -0.596 5 1HB MET 1 1HB MET 1 -8.682 11.050 -0.876 6 2HB MET 1 2HB MET 1 -9.096 11.976 0.603 7 1HG MET 1 1HG MET 1 -11.230 10.743 0.831 8 2HG MET 1 2HG MET 1 -10.846 9.762 -0.623 9 1HE MET 1 1HE MET 1 -10.546 7.442 2.640 10 2HE MET 1 2HE MET 1 -11.492 8.966 2.600 11 3HE MET 1 3HE MET 1 -11.526 7.852 1.191 12 H ALA 2 H ALA 2 -9.891 14.806 0.197 13 HA ALA 2 HA ALA 2 -8.077 16.094 -1.624 14 1HB ALA 2 1HB ALA 2 -8.705 16.728 1.324 15 2HB ALA 2 2HB ALA 2 -9.516 17.441 -0.115 16 3HB ALA 2 3HB ALA 2 -7.779 17.789 0.195 17 H SER 3 H SER 3 -7.406 14.968 1.827 18 HA SER 3 HA SER 3 -4.612 14.427 1.046 19 1HB SER 3 1HB SER 3 -5.118 15.815 3.148 20 2HB SER 3 2HB SER 3 -5.772 14.306 3.884 21 HG SER 3 HG SER 3 -3.575 14.734 4.365 22 H ASN 4 H ASN 4 -3.685 12.260 2.149 23 HA ASN 4 HA ASN 4 -5.488 10.065 1.495 24 1HB ASN 4 1HB ASN 4 -3.005 9.924 0.935 25 2HB ASN 4 2HB ASN 4 -2.698 9.694 2.690 26 1HD2 ASN 4 1HD2 ASN 4 -4.585 8.382 -0.150 27 2HD2 ASN 4 2HD2 ASN 4 -4.674 6.756 0.393 28 H PHE 5 H PHE 5 -7.175 10.419 3.041 29 HA PHE 5 HA PHE 5 -6.715 10.355 5.865 30 1HB PHE 5 1HB PHE 5 -9.345 9.835 4.352 31 2HB PHE 5 2HB PHE 5 -9.188 10.258 6.099 32 HD1 PHE 5 HD1 PHE 5 -9.937 11.612 2.972 33 HD2 PHE 5 HD2 PHE 5 -7.628 12.472 6.496 34 HE1 PHE 5 HE1 PHE 5 -10.001 14.022 2.426 35 HE2 PHE 5 HE2 PHE 5 -7.703 14.880 5.952 36 HZ PHE 5 HZ PHE 5 -8.883 15.663 3.916 37 H LYS 6 H LYS 6 -6.873 7.626 3.663 38 HA LYS 6 HA LYS 6 -6.912 5.466 3.902 39 1HB LYS 6 1HB LYS 6 -6.863 5.602 6.942 40 2HB LYS 6 2HB LYS 6 -6.636 4.150 5.915 41 1HG LYS 6 1HG LYS 6 -4.433 4.575 6.132 42 2HG LYS 6 2HG LYS 6 -4.714 5.745 4.801 43 1HD LYS 6 1HD LYS 6 -5.068 7.544 6.657 44 2HD LYS 6 2HD LYS 6 -4.609 6.283 7.841 45 1HE LYS 6 1HE LYS 6 -2.650 7.668 7.412 46 2HE LYS 6 2HE LYS 6 -2.347 6.063 6.627 47 1HZ LYS 6 1HZ LYS 6 -3.329 8.532 5.259 48 2HZ LYS 6 2HZ LYS 6 -2.997 7.061 4.508 49 3HZ LYS 6 3HZ LYS 6 -1.738 7.933 5.234 50 H LYS 7 H LYS 7 -8.351 3.518 4.558 51 HA LYS 7 HA LYS 7 -10.313 2.549 4.386 52 1HB LYS 7 1HB LYS 7 -10.908 3.670 6.563 53 2HB LYS 7 2HB LYS 7 -11.770 4.923 5.613 54 1HG LYS 7 1HG LYS 7 -13.267 3.125 4.656 55 2HG LYS 7 2HG LYS 7 -12.385 1.898 5.628 56 1HD LYS 7 1HD LYS 7 -13.078 3.059 7.730 57 2HD LYS 7 2HD LYS 7 -13.950 4.297 6.754 58 1HE LYS 7 1HE LYS 7 -15.471 2.503 5.832 59 2HE LYS 7 2HE LYS 7 -14.598 1.262 6.821 60 1HZ LYS 7 1HZ LYS 7 -15.277 2.447 8.801 61 2HZ LYS 7 2HZ LYS 7 -16.617 1.996 7.864 62 3HZ LYS 7 3HZ LYS 7 -16.093 3.611 7.872 63 H ALA 8 H ALA 8 -9.592 3.096 2.011 64 HA ALA 8 HA ALA 8 -12.038 3.932 0.616 65 1HB ALA 8 1HB ALA 8 -10.618 4.997 -1.230 66 2HB ALA 8 2HB ALA 8 -10.641 5.918 0.315 67 3HB ALA 8 3HB ALA 8 -9.217 4.915 -0.091 68 H ASN 9 H ASN 9 -8.805 2.910 -0.883 69 HA ASN 9 HA ASN 9 -10.144 0.557 -1.945 70 1HB ASN 9 1HB ASN 9 -8.443 2.045 -3.176 71 2HB ASN 9 2HB ASN 9 -7.169 1.298 -2.169 72 1HD2 ASN 9 1HD2 ASN 9 -9.976 0.379 -4.335 73 2HD2 ASN 9 2HD2 ASN 9 -9.177 -0.959 -5.089 74 H MET 10 H MET 10 -10.577 -0.323 0.376 75 HA MET 10 HA MET 10 -8.326 -1.579 1.740 76 1HB MET 10 1HB MET 10 -11.346 -1.788 2.225 77 2HB MET 10 2HB MET 10 -10.102 -2.645 3.203 78 1HG MET 10 1HG MET 10 -9.036 -0.462 3.768 79 2HG MET 10 2HG MET 10 -10.347 0.408 2.911 80 1HE MET 10 1HE MET 10 -10.303 0.141 7.173 81 2HE MET 10 2HE MET 10 -9.527 1.058 5.840 82 3HE MET 10 3HE MET 10 -9.005 -0.623 6.196 83 H ALA 11 H ALA 11 -11.317 -3.045 0.109 84 HA ALA 11 HA ALA 11 -9.980 -5.622 -0.100 85 1HB ALA 11 1HB ALA 11 -12.007 -6.364 -1.338 86 2HB ALA 11 2HB ALA 11 -12.627 -4.669 -1.333 87 3HB ALA 11 3HB ALA 11 -12.444 -5.570 0.216 88 H SER 12 H SER 12 -8.040 -4.770 -1.332 89 HA SER 12 HA SER 12 -8.462 -3.679 -3.979 90 1HB SER 12 1HB SER 12 -6.616 -2.983 -2.324 91 2HB SER 12 2HB SER 12 -5.789 -4.532 -2.703 92 HG SER 12 HG SER 12 -6.223 -2.223 -4.215 93 H SER 13 H SER 13 -9.573 -5.551 -5.039 94 HA SER 13 HA SER 13 -8.317 -8.116 -5.040 95 1HB SER 13 1HB SER 13 -10.243 -8.809 -6.504 96 2HB SER 13 2HB SER 13 -10.724 -7.997 -4.975 97 HG SER 13 HG SER 13 -10.385 -6.601 -7.408 98 H SER 14 H SER 14 -6.589 -8.744 -6.294 99 HA SER 14 HA SER 14 -6.157 -7.690 -8.977 100 1HB SER 14 1HB SER 14 -4.727 -9.966 -7.494 101 2HB SER 14 2HB SER 14 -4.230 -9.252 -9.075 102 HG SER 14 HG SER 14 -4.355 -7.990 -6.536 103 H GLN 15 H GLN 15 -8.566 -8.525 -9.430 104 HA GLN 15 HA GLN 15 -8.917 -11.257 -10.152 105 1HB GLN 15 1HB GLN 15 -10.477 -8.818 -11.160 106 2HB GLN 15 2HB GLN 15 -10.996 -10.541 -11.251 107 1HG GLN 15 1HG GLN 15 -11.038 -10.669 -8.742 108 2HG GLN 15 2HG GLN 15 -10.490 -8.955 -8.648 109 1HE2 GLN 15 1HE2 GLN 15 -12.281 -7.795 -7.902 110 2HE2 GLN 15 2HE2 GLN 15 -13.857 -7.864 -8.607 111 H ARG 16 H ARG 16 -8.121 -12.345 -11.923 112 HA ARG 16 HA ARG 16 -6.661 -10.792 -13.918 113 1HB ARG 16 1HB ARG 16 -6.597 -13.784 -13.288 114 2HB ARG 16 2HB ARG 16 -5.588 -12.938 -14.517 115 1HG ARG 16 1HG ARG 16 -4.900 -11.317 -12.646 116 2HG ARG 16 2HG ARG 16 -5.570 -12.474 -11.458 117 1HD ARG 16 1HD ARG 16 -3.857 -14.114 -11.915 118 2HD ARG 16 2HD ARG 16 -3.511 -13.400 -13.552 119 HE ARG 16 HE ARG 16 -2.949 -11.363 -11.623 120 1HH1 ARG 16 1HH1 ARG 16 -1.628 -14.440 -12.929 121 2HH1 ARG 16 2HH1 ARG 16 0.010 -13.966 -12.737 122 1HH2 ARG 16 1HH2 ARG 16 -0.731 -10.784 -11.255 123 2HH2 ARG 16 2HH2 ARG 16 0.538 -11.828 -11.777 124 H LYS 17 H LYS 17 -8.863 -13.764 -14.381 125 HA LYS 17 HA LYS 17 -9.566 -12.657 -17.030 126 1HB LYS 17 1HB LYS 17 -9.030 -15.094 -16.926 127 2HB LYS 17 2HB LYS 17 -10.388 -15.320 -15.774 128 1HG LYS 17 1HG LYS 17 -11.969 -14.430 -17.572 129 2HG LYS 17 2HG LYS 17 -10.599 -14.413 -18.729 130 1HD LYS 17 1HD LYS 17 -11.457 -16.913 -17.141 131 2HD LYS 17 2HD LYS 17 -12.289 -16.451 -18.655 132 1HE LYS 17 1HE LYS 17 -9.234 -16.965 -18.530 133 2HE LYS 17 2HE LYS 17 -10.464 -18.243 -18.883 134 1HZ LYS 17 1HZ LYS 17 -9.932 -15.779 -20.488 135 2HZ LYS 17 2HZ LYS 17 -11.231 -16.852 -20.745 136 3HZ LYS 17 3HZ LYS 17 -9.631 -17.391 -20.895 137 H ARG 18 H ARG 18 -11.064 -10.970 -16.722 138 HA ARG 18 HA ARG 18 -13.697 -11.798 -15.661 139 1HB ARG 18 1HB ARG 18 -12.355 -9.076 -15.177 140 2HB ARG 18 2HB ARG 18 -14.122 -9.323 -15.017 141 1HG ARG 18 1HG ARG 18 -11.941 -10.697 -13.347 142 2HG ARG 18 2HG ARG 18 -13.044 -9.380 -12.831 143 1HD ARG 18 1HD ARG 18 -13.782 -12.312 -13.473 144 2HD ARG 18 2HD ARG 18 -13.911 -11.484 -11.888 145 HE ARG 18 HE ARG 18 -15.740 -11.309 -14.217 146 1HH1 ARG 18 1HH1 ARG 18 -14.817 -9.758 -11.085 147 2HH1 ARG 18 2HH1 ARG 18 -16.340 -8.989 -10.881 148 1HH2 ARG 18 1HH2 ARG 18 -17.794 -10.221 -13.904 149 2HH2 ARG 18 2HH2 ARG 18 -18.063 -9.251 -12.518 150 H MET 19 H MET 19 -12.055 -9.351 -17.901 151 HA MET 19 HA MET 19 -14.547 -9.200 -19.463 152 1HB MET 19 1HB MET 19 -13.254 -7.130 -19.381 153 2HB MET 19 2HB MET 19 -11.760 -7.992 -19.876 154 1HG MET 19 1HG MET 19 -12.736 -6.614 -21.697 155 2HG MET 19 2HG MET 19 -12.568 -8.339 -22.122 156 1HE MET 19 1HE MET 19 -13.948 -8.391 -24.133 157 2HE MET 19 2HE MET 19 -15.511 -7.540 -24.350 158 3HE MET 19 3HE MET 19 -14.020 -6.602 -24.008 159 H SER 20 H SER 20 -15.034 -11.044 -20.682 160 HA SER 20 HA SER 20 -13.082 -12.915 -21.551 161 1HB SER 20 1HB SER 20 -15.080 -13.890 -22.883 162 2HB SER 20 2HB SER 20 -15.246 -13.786 -21.092 163 HG SER 20 HG SER 20 -16.228 -11.924 -22.983 164 HA PRO 21 HA PRO 21 -12.109 -10.269 -25.105 165 1HB PRO 21 1HB PRO 21 -10.036 -11.698 -26.344 166 2HB PRO 21 2HB PRO 21 -9.855 -10.818 -24.779 167 1HG PRO 21 1HG PRO 21 -10.487 -13.794 -25.178 168 2HG PRO 21 2HG PRO 21 -9.193 -13.067 -24.139 169 1HD PRO 21 1HD PRO 21 -11.628 -13.823 -23.090 170 2HD PRO 21 2HD PRO 21 -10.818 -12.290 -22.523 171 H LYS 22 H LYS 22 -12.881 -9.879 -27.133 172 HA LYS 22 HA LYS 22 -13.908 -12.118 -28.779 173 1HB LYS 22 1HB LYS 22 -14.251 -9.105 -29.176 174 2HB LYS 22 2HB LYS 22 -15.222 -10.440 -29.922 175 1HG LYS 22 1HG LYS 22 -16.078 -11.053 -27.636 176 2HG LYS 22 2HG LYS 22 -15.184 -9.652 -26.939 177 1HD LYS 22 1HD LYS 22 -16.448 -8.095 -28.425 178 2HD LYS 22 2HD LYS 22 -17.411 -9.487 -29.048 179 1HE LYS 22 1HE LYS 22 -18.272 -9.936 -26.717 180 2HE LYS 22 2HE LYS 22 -17.286 -8.552 -26.089 181 1HZ LYS 22 1HZ LYS 22 -18.546 -7.080 -27.513 182 2HZ LYS 22 2HZ LYS 22 -19.562 -7.941 -26.461 183 3HZ LYS 22 3HZ LYS 22 -19.474 -8.378 -28.098 184 HA PRO 23 HA PRO 23 -10.299 -11.140 -31.614 185 1HB PRO 23 1HB PRO 23 -10.665 -9.475 -33.783 186 2HB PRO 23 2HB PRO 23 -11.365 -11.135 -33.672 187 1HG PRO 23 1HG PRO 23 -12.742 -8.477 -33.045 188 2HG PRO 23 2HG PRO 23 -13.361 -9.846 -34.061 189 1HD PRO 23 1HD PRO 23 -14.058 -9.462 -31.430 190 2HD PRO 23 2HD PRO 23 -13.885 -11.155 -32.097 191 H GLU 24 H GLU 24 -9.244 -10.193 -29.852 192 HA GLU 24 HA GLU 24 -8.269 -7.493 -30.058 193 1HB GLU 24 1HB GLU 24 -9.159 -6.681 -27.875 194 2HB GLU 24 2HB GLU 24 -10.470 -7.045 -29.032 195 1HG GLU 24 1HG GLU 24 -10.804 -9.304 -27.925 196 2HG GLU 24 2HG GLU 24 -9.587 -8.850 -26.683 197 H LEU 25 H LEU 25 -7.143 -7.074 -27.560 198 HA LEU 25 HA LEU 25 -5.098 -8.992 -27.213 199 1HB LEU 25 1HB LEU 25 -4.361 -7.714 -25.333 200 2HB LEU 25 2HB LEU 25 -4.812 -6.605 -26.645 201 HG LEU 25 HG LEU 25 -6.559 -7.232 -24.186 202 1HD1 LEU 25 1HD1 LEU 25 -4.754 -4.798 -24.701 203 2HD1 LEU 25 2HD1 LEU 25 -5.866 -5.026 -23.299 204 3HD1 LEU 25 3HD1 LEU 25 -4.456 -6.119 -23.508 205 1HD2 LEU 25 1HD2 LEU 25 -8.028 -6.392 -25.955 206 2HD2 LEU 25 2HD2 LEU 25 -6.862 -5.071 -26.373 207 3HD2 LEU 25 3HD2 LEU 25 -7.736 -5.050 -24.801 208 H THR 26 H THR 26 -4.725 -10.684 -25.486 209 HA THR 26 HA THR 26 -7.308 -11.676 -24.419 210 HB THR 26 HB THR 26 -6.154 -13.920 -24.464 211 HG1 THR 26 HG1 THR 26 -4.225 -14.021 -25.527 212 1HG2 THR 26 1HG2 THR 26 -6.326 -14.122 -26.935 213 2HG2 THR 26 2HG2 THR 26 -7.650 -13.078 -26.309 214 3HG2 THR 26 3HG2 THR 26 -6.232 -12.334 -27.131 215 H GLU 27 H GLU 27 -6.124 -13.644 -22.575 216 HA GLU 27 HA GLU 27 -6.385 -12.283 -20.258 217 1HB GLU 27 1HB GLU 27 -5.116 -14.977 -20.883 218 2HB GLU 27 2HB GLU 27 -5.160 -14.378 -19.192 219 1HG GLU 27 1HG GLU 27 -7.027 -15.895 -19.621 220 2HG GLU 27 2HG GLU 27 -7.583 -14.244 -19.163 221 H GLU 28 H GLU 28 -3.110 -13.433 -21.370 222 HA GLU 28 HA GLU 28 -1.493 -12.283 -19.459 223 1HB GLU 28 1HB GLU 28 -0.677 -13.791 -21.153 224 2HB GLU 28 2HB GLU 28 -1.062 -12.652 -22.471 225 1HG GLU 28 1HG GLU 28 0.955 -11.845 -20.280 226 2HG GLU 28 2HG GLU 28 1.438 -13.000 -21.575 227 H GLN 29 H GLN 29 -2.481 -10.525 -22.532 228 HA GLN 29 HA GLN 29 -1.232 -8.126 -21.697 229 1HB GLN 29 1HB GLN 29 -3.265 -8.530 -23.897 230 2HB GLN 29 2HB GLN 29 -2.375 -6.989 -23.558 231 1HG GLN 29 1HG GLN 29 -0.198 -8.485 -23.667 232 2HG GLN 29 2HG GLN 29 -1.219 -9.684 -24.523 233 1HE2 GLN 29 1HE2 GLN 29 -2.410 -8.801 -26.545 234 2HE2 GLN 29 2HE2 GLN 29 -1.597 -7.572 -27.473 235 H LYS 30 H LYS 30 -4.813 -8.854 -21.744 236 HA LYS 30 HA LYS 30 -5.871 -6.605 -20.574 237 1HB LYS 30 1HB LYS 30 -6.566 -9.542 -20.020 238 2HB LYS 30 2HB LYS 30 -7.588 -8.180 -19.447 239 1HG LYS 30 1HG LYS 30 -6.976 -8.707 -22.418 240 2HG LYS 30 2HG LYS 30 -8.363 -9.399 -21.516 241 1HD LYS 30 1HD LYS 30 -9.139 -7.055 -20.959 242 2HD LYS 30 2HD LYS 30 -7.824 -6.417 -22.017 243 1HE LYS 30 1HE LYS 30 -8.804 -7.750 -23.957 244 2HE LYS 30 2HE LYS 30 -10.162 -8.276 -22.892 245 1HZ LYS 30 1HZ LYS 30 -9.495 -5.442 -23.513 246 2HZ LYS 30 2HZ LYS 30 -10.890 -6.032 -22.736 247 3HZ LYS 30 3HZ LYS 30 -10.601 -6.397 -24.383 248 H GLN 31 H GLN 31 -4.870 -9.472 -18.659 249 HA GLN 31 HA GLN 31 -5.032 -8.452 -16.085 250 1HB GLN 31 1HB GLN 31 -4.814 -10.821 -16.674 251 2HB GLN 31 2HB GLN 31 -3.135 -10.572 -17.231 252 1HG GLN 31 1HG GLN 31 -3.819 -9.774 -14.339 253 2HG GLN 31 2HG GLN 31 -3.856 -11.515 -14.791 254 1HE2 GLN 31 1HE2 GLN 31 -1.735 -9.012 -13.776 255 2HE2 GLN 31 2HE2 GLN 31 -0.227 -9.676 -14.329 256 H GLU 32 H GLU 32 -1.848 -8.554 -18.066 257 HA GLU 32 HA GLU 32 -0.479 -7.512 -15.842 258 1HB GLU 32 1HB GLU 32 0.336 -8.695 -18.177 259 2HB GLU 32 2HB GLU 32 0.861 -7.013 -18.464 260 1HG GLU 32 1HG GLU 32 2.721 -8.168 -17.424 261 2HG GLU 32 2HG GLU 32 2.015 -7.135 -16.123 262 H ILE 33 H ILE 33 -1.809 -5.548 -18.672 263 HA ILE 33 HA ILE 33 -0.730 -3.075 -17.596 264 HB ILE 33 HB ILE 33 -2.793 -3.815 -19.702 265 1HG1 ILE 33 1HG1 ILE 33 -1.173 -2.435 -21.144 266 2HG1 ILE 33 2HG1 ILE 33 -0.037 -2.419 -19.764 267 1HG2 ILE 33 1HG2 ILE 33 -3.767 -1.792 -18.763 268 2HG2 ILE 33 2HG2 ILE 33 -2.163 -0.963 -18.727 269 3HG2 ILE 33 3HG2 ILE 33 -2.954 -1.360 -20.291 270 1HD1 ILE 33 1HD1 ILE 33 0.219 -4.902 -19.929 271 2HD1 ILE 33 2HD1 ILE 33 0.452 -4.174 -21.552 272 3HD1 ILE 33 3HD1 ILE 33 -1.106 -4.980 -21.150 273 H ARG 34 H ARG 34 -4.175 -4.581 -17.240 274 HA ARG 34 HA ARG 34 -5.053 -2.430 -15.588 275 1HB ARG 34 1HB ARG 34 -6.663 -3.946 -16.634 276 2HB ARG 34 2HB ARG 34 -6.068 -5.329 -15.663 277 1HG ARG 34 1HG ARG 34 -6.998 -2.843 -14.178 278 2HG ARG 34 2HG ARG 34 -8.263 -3.800 -15.017 279 1HD ARG 34 1HD ARG 34 -7.951 -5.743 -13.680 280 2HD ARG 34 2HD ARG 34 -6.316 -5.221 -13.104 281 HE ARG 34 HE ARG 34 -8.023 -3.210 -12.172 282 1HH1 ARG 34 1HH1 ARG 34 -7.684 -6.772 -11.695 283 2HH1 ARG 34 2HH1 ARG 34 -8.009 -6.655 -9.996 284 1HH2 ARG 34 1HH2 ARG 34 -8.436 -3.145 -9.918 285 2HH2 ARG 34 2HH2 ARG 34 -8.499 -4.595 -8.977 286 H GLU 35 H GLU 35 -3.606 -5.694 -14.551 287 HA GLU 35 HA GLU 35 -3.850 -5.161 -11.806 288 1HB GLU 35 1HB GLU 35 -3.427 -7.389 -12.949 289 2HB GLU 35 2HB GLU 35 -1.694 -6.931 -13.051 290 1HG GLU 35 1HG GLU 35 -1.577 -6.826 -10.549 291 2HG GLU 35 2HG GLU 35 -3.354 -7.106 -10.430 292 H ALA 36 H ALA 36 -0.959 -4.315 -13.988 293 HA ALA 36 HA ALA 36 0.521 -3.167 -11.838 294 1HB ALA 36 1HB ALA 36 0.607 -2.492 -14.834 295 2HB ALA 36 2HB ALA 36 1.599 -3.736 -13.999 296 3HB ALA 36 3HB ALA 36 1.840 -1.995 -13.610 297 H PHE 37 H PHE 37 -1.545 -1.332 -14.364 298 HA PHE 37 HA PHE 37 -1.050 1.178 -13.180 299 1HB PHE 37 1HB PHE 37 -2.113 0.577 -15.505 300 2HB PHE 37 2HB PHE 37 -3.681 0.499 -14.647 301 HD1 PHE 37 HD1 PHE 37 -4.495 2.645 -13.435 302 HD2 PHE 37 HD2 PHE 37 -1.110 2.630 -16.094 303 HE1 PHE 37 HE1 PHE 37 -4.670 5.096 -13.688 304 HE2 PHE 37 HE2 PHE 37 -1.360 5.053 -16.425 305 HZ PHE 37 HZ PHE 37 -3.092 6.301 -15.183 306 H ASP 38 H ASP 38 -3.901 -1.080 -12.512 307 HA ASP 38 HA ASP 38 -5.161 0.583 -10.574 308 1HB ASP 38 1HB ASP 38 -5.986 -1.511 -11.890 309 2HB ASP 38 2HB ASP 38 -5.113 -2.500 -10.680 310 H LEU 39 H LEU 39 -2.407 -1.905 -10.113 311 HA LEU 39 HA LEU 39 -2.346 -1.869 -7.324 312 1HB LEU 39 1HB LEU 39 -0.962 -3.389 -8.747 313 2HB LEU 39 2HB LEU 39 0.023 -1.987 -9.270 314 HG LEU 39 HG LEU 39 0.802 -1.673 -6.896 315 1HD1 LEU 39 1HD1 LEU 39 -0.720 -4.304 -6.341 316 2HD1 LEU 39 2HD1 LEU 39 0.457 -3.511 -5.227 317 3HD1 LEU 39 3HD1 LEU 39 -1.087 -2.685 -5.635 318 1HD2 LEU 39 1HD2 LEU 39 2.148 -2.945 -8.541 319 2HD2 LEU 39 2HD2 LEU 39 2.347 -3.615 -6.878 320 3HD2 LEU 39 3HD2 LEU 39 1.306 -4.474 -8.079 321 H PHE 40 H PHE 40 -0.758 0.508 -9.595 322 HA PHE 40 HA PHE 40 0.214 2.137 -7.379 323 1HB PHE 40 1HB PHE 40 0.229 2.709 -10.392 324 2HB PHE 40 2HB PHE 40 1.062 3.699 -9.121 325 HD1 PHE 40 HD1 PHE 40 1.377 0.843 -11.294 326 HD2 PHE 40 HD2 PHE 40 2.668 2.405 -7.508 327 HE1 PHE 40 HE1 PHE 40 3.171 -0.853 -11.208 328 HE2 PHE 40 HE2 PHE 40 4.506 0.749 -7.453 329 HZ PHE 40 HZ PHE 40 4.743 -0.901 -9.297 330 H ASP 41 H ASP 41 -2.469 2.582 -9.880 331 HA ASP 41 HA ASP 41 -3.443 4.895 -8.387 332 1HB ASP 41 1HB ASP 41 -3.438 4.900 -10.913 333 2HB ASP 41 2HB ASP 41 -4.695 3.615 -10.878 334 H ALA 42 H ALA 42 -3.973 3.768 -6.368 335 HA ALA 42 HA ALA 42 -5.887 1.571 -6.447 336 1HB ALA 42 1HB ALA 42 -5.497 1.412 -3.999 337 2HB ALA 42 2HB ALA 42 -4.559 2.953 -4.044 338 3HB ALA 42 3HB ALA 42 -3.947 1.492 -4.902 339 H ASP 43 H ASP 43 -5.944 4.815 -4.684 340 HA ASP 43 HA ASP 43 -8.667 4.367 -3.871 341 1HB ASP 43 1HB ASP 43 -6.951 6.880 -3.515 342 2HB ASP 43 2HB ASP 43 -8.553 6.573 -2.744 343 H GLY 44 H GLY 44 -7.506 5.792 -6.836 344 1HA GLY 44 1HA GLY 44 -9.144 6.120 -8.495 345 2HA GLY 44 2HA GLY 44 -10.178 6.992 -7.310 346 H THR 45 H THR 45 -7.168 7.176 -9.276 347 HA THR 45 HA THR 45 -6.978 10.072 -8.704 348 HB THR 45 HB THR 45 -4.714 8.353 -9.810 349 HG1 THR 45 HG1 THR 45 -5.267 7.323 -8.061 350 1HG2 THR 45 1HG2 THR 45 -3.348 10.124 -8.692 351 2HG2 THR 45 2HG2 THR 45 -4.491 10.878 -9.857 352 3HG2 THR 45 3HG2 THR 45 -4.843 10.933 -8.087 353 H GLY 46 H GLY 46 -6.001 7.858 -11.534 354 1HA GLY 46 1HA GLY 46 -6.957 8.540 -13.728 355 2HA GLY 46 2HA GLY 46 -6.470 10.224 -13.308 356 H THR 47 H THR 47 -3.966 10.356 -12.600 357 HA THR 47 HA THR 47 -2.433 8.856 -14.642 358 HB THR 47 HB THR 47 -0.708 10.721 -14.296 359 HG1 THR 47 HG1 THR 47 -1.411 12.520 -13.324 360 1HG2 THR 47 1HG2 THR 47 -3.509 11.411 -15.444 361 2HG2 THR 47 2HG2 THR 47 -1.961 12.246 -15.844 362 3HG2 THR 47 3HG2 THR 47 -2.198 10.524 -16.302 363 H ILE 48 H ILE 48 -0.624 7.804 -14.176 364 HA ILE 48 HA ILE 48 0.293 7.472 -11.361 365 HB ILE 48 HB ILE 48 -0.385 5.387 -12.527 366 1HG1 ILE 48 1HG1 ILE 48 2.666 5.638 -12.277 367 2HG1 ILE 48 2HG1 ILE 48 1.484 5.136 -11.015 368 1HG2 ILE 48 1HG2 ILE 48 -0.146 6.150 -14.866 369 2HG2 ILE 48 2HG2 ILE 48 0.705 4.627 -14.639 370 3HG2 ILE 48 3HG2 ILE 48 1.654 6.151 -14.726 371 1HD1 ILE 48 1HD1 ILE 48 2.607 3.141 -11.898 372 2HD1 ILE 48 2HD1 ILE 48 0.912 3.115 -12.515 373 3HD1 ILE 48 3HD1 ILE 48 2.276 3.604 -13.592 374 H ASP 49 H ASP 49 2.677 7.926 -11.002 375 HA ASP 49 HA ASP 49 3.738 9.764 -13.070 376 1HB ASP 49 1HB ASP 49 4.866 11.008 -11.566 377 2HB ASP 49 2HB ASP 49 3.469 10.497 -10.568 378 H VAL 50 H VAL 50 6.363 9.825 -13.176 379 HA VAL 50 HA VAL 50 7.285 7.359 -14.142 380 HB VAL 50 HB VAL 50 9.680 8.430 -13.852 381 1HG1 VAL 50 1HG1 VAL 50 9.167 9.670 -15.996 382 2HG1 VAL 50 2HG1 VAL 50 7.411 9.322 -15.725 383 3HG1 VAL 50 3HG1 VAL 50 8.568 7.971 -15.965 384 1HG2 VAL 50 1HG2 VAL 50 7.834 10.905 -13.552 385 2HG2 VAL 50 2HG2 VAL 50 8.846 10.215 -12.226 386 3HG2 VAL 50 3HG2 VAL 50 9.620 10.876 -13.713 387 H LYS 51 H LYS 51 7.684 8.487 -10.720 388 HA LYS 51 HA LYS 51 9.517 6.495 -9.900 389 1HB LYS 51 1HB LYS 51 7.108 7.590 -8.358 390 2HB LYS 51 2HB LYS 51 8.469 6.672 -7.629 391 1HG LYS 51 1HG LYS 51 10.056 8.440 -8.251 392 2HG LYS 51 2HG LYS 51 8.770 9.409 -9.039 393 1HD LYS 51 1HD LYS 51 8.638 8.619 -6.060 394 2HD LYS 51 2HD LYS 51 9.556 10.037 -6.654 395 1HE LYS 51 1HE LYS 51 7.421 10.837 -5.859 396 2HE LYS 51 2HE LYS 51 7.471 11.030 -7.654 397 1HZ LYS 51 1HZ LYS 51 6.146 8.731 -6.303 398 2HZ LYS 51 2HZ LYS 51 5.366 10.187 -6.684 399 3HZ LYS 51 3HZ LYS 51 5.995 9.235 -7.922 400 H GLU 52 H GLU 52 5.896 6.332 -9.604 401 HA GLU 52 HA GLU 52 5.596 3.581 -9.115 402 1HB GLU 52 1HB GLU 52 3.835 5.637 -10.515 403 2HB GLU 52 2HB GLU 52 3.233 4.068 -9.855 404 1HG GLU 52 1HG GLU 52 3.766 4.824 -7.544 405 2HG GLU 52 2HG GLU 52 4.497 6.351 -8.170 406 H LEU 53 H LEU 53 5.392 5.313 -12.397 407 HA LEU 53 HA LEU 53 4.874 3.006 -13.884 408 1HB LEU 53 1HB LEU 53 4.619 5.437 -14.608 409 2HB LEU 53 2HB LEU 53 6.395 5.494 -14.829 410 HG LEU 53 HG LEU 53 6.194 3.653 -16.551 411 1HD1 LEU 53 1HD1 LEU 53 3.151 4.051 -16.180 412 2HD1 LEU 53 2HD1 LEU 53 3.942 3.102 -17.495 413 3HD1 LEU 53 3HD1 LEU 53 4.086 2.556 -15.799 414 1HD2 LEU 53 1HD2 LEU 53 5.265 5.092 -18.349 415 2HD2 LEU 53 2HD2 LEU 53 6.313 6.033 -17.224 416 3HD2 LEU 53 3HD2 LEU 53 4.519 6.173 -17.112 417 H LYS 54 H LYS 54 8.175 4.305 -12.957 418 HA LYS 54 HA LYS 54 9.665 2.443 -14.512 419 1HB LYS 54 1HB LYS 54 10.313 3.953 -11.948 420 2HB LYS 54 2HB LYS 54 11.498 2.834 -12.718 421 1HG LYS 54 1HG LYS 54 11.643 4.149 -14.728 422 2HG LYS 54 2HG LYS 54 10.159 5.066 -14.327 423 1HD LYS 54 1HD LYS 54 11.991 6.545 -14.032 424 2HD LYS 54 2HD LYS 54 11.291 6.175 -12.417 425 1HE LYS 54 1HE LYS 54 13.203 4.599 -11.942 426 2HE LYS 54 2HE LYS 54 13.882 4.930 -13.590 427 1HZ LYS 54 1HZ LYS 54 13.467 6.932 -11.426 428 2HZ LYS 54 2HZ LYS 54 14.097 7.245 -12.970 429 3HZ LYS 54 3HZ LYS 54 14.945 6.243 -11.896 430 H VAL 55 H VAL 55 8.416 2.161 -11.062 431 HA VAL 55 HA VAL 55 9.276 -0.535 -10.709 432 HB VAL 55 HB VAL 55 6.857 0.806 -9.433 433 1HG1 VAL 55 1HG1 VAL 55 7.279 -0.886 -7.606 434 2HG1 VAL 55 2HG1 VAL 55 8.571 -1.647 -8.605 435 3HG1 VAL 55 3HG1 VAL 55 6.853 -1.699 -9.146 436 1HG2 VAL 55 1HG2 VAL 55 8.950 2.142 -9.068 437 2HG2 VAL 55 2HG2 VAL 55 9.833 0.653 -8.579 438 3HG2 VAL 55 3HG2 VAL 55 8.486 1.287 -7.564 439 H ALA 56 H ALA 56 6.225 0.769 -12.202 440 HA ALA 56 HA ALA 56 4.968 -1.694 -12.714 441 1HB ALA 56 1HB ALA 56 3.627 -0.540 -14.424 442 2HB ALA 56 2HB ALA 56 3.842 0.552 -13.009 443 3HB ALA 56 3HB ALA 56 4.819 0.805 -14.496 444 H MET 57 H MET 57 7.262 0.120 -14.878 445 HA MET 57 HA MET 57 7.327 -1.818 -16.959 446 1HB MET 57 1HB MET 57 8.952 0.573 -16.116 447 2HB MET 57 2HB MET 57 9.722 -0.564 -17.251 448 1HG MET 57 1HG MET 57 8.613 1.280 -18.439 449 2HG MET 57 2HG MET 57 7.962 -0.321 -18.891 450 1HE MET 57 1HE MET 57 6.847 2.813 -19.312 451 2HE MET 57 2HE MET 57 6.334 1.333 -20.194 452 3HE MET 57 3HE MET 57 5.107 2.379 -19.402 453 H ARG 58 H ARG 58 9.323 -1.711 -13.897 454 HA ARG 58 HA ARG 58 11.094 -3.834 -14.621 455 1HB ARG 58 1HB ARG 58 9.972 -3.014 -11.881 456 2HB ARG 58 2HB ARG 58 11.275 -4.234 -12.101 457 1HG ARG 58 1HG ARG 58 12.802 -2.577 -13.008 458 2HG ARG 58 2HG ARG 58 11.514 -1.327 -13.059 459 1HD ARG 58 1HD ARG 58 11.284 -1.444 -10.552 460 2HD ARG 58 2HD ARG 58 12.651 -2.641 -10.492 461 HE ARG 58 HE ARG 58 13.690 -0.498 -11.933 462 1HH1 ARG 58 1HH1 ARG 58 12.158 -0.852 -8.710 463 2HH1 ARG 58 2HH1 ARG 58 13.035 0.428 -7.979 464 1HH2 ARG 58 1HH2 ARG 58 14.931 1.235 -10.905 465 2HH2 ARG 58 2HH2 ARG 58 14.661 1.639 -9.259 466 H ALA 59 H ALA 59 7.874 -4.054 -12.732 467 HA ALA 59 HA ALA 59 7.852 -6.909 -12.769 468 1HB ALA 59 1HB ALA 59 6.502 -5.581 -11.150 469 2HB ALA 59 2HB ALA 59 5.459 -6.702 -12.095 470 3HB ALA 59 3HB ALA 59 5.501 -4.944 -12.504 471 H LEU 60 H LEU 60 6.081 -4.576 -15.018 472 HA LEU 60 HA LEU 60 4.807 -6.718 -16.469 473 1HB LEU 60 1HB LEU 60 4.052 -4.281 -15.967 474 2HB LEU 60 2HB LEU 60 5.111 -3.764 -17.303 475 HG LEU 60 HG LEU 60 2.666 -5.627 -17.465 476 1HD1 LEU 60 1HD1 LEU 60 1.485 -3.720 -18.480 477 2HD1 LEU 60 2HD1 LEU 60 2.081 -3.324 -16.832 478 3HD1 LEU 60 3HD1 LEU 60 2.949 -2.685 -18.284 479 1HD2 LEU 60 1HD2 LEU 60 2.699 -5.142 -19.972 480 2HD2 LEU 60 2HD2 LEU 60 4.381 -4.523 -19.768 481 3HD2 LEU 60 3HD2 LEU 60 3.978 -6.245 -19.399 482 H GLY 61 H GLY 61 7.605 -4.474 -17.291 483 1HA GLY 61 1HA GLY 61 7.897 -5.147 -19.967 484 2HA GLY 61 2HA GLY 61 9.185 -4.606 -18.840 485 H PHE 62 H PHE 62 9.696 -6.715 -17.211 486 HA PHE 62 HA PHE 62 10.816 -8.647 -17.024 487 1HB PHE 62 1HB PHE 62 9.235 -9.694 -19.471 488 2HB PHE 62 2HB PHE 62 10.278 -10.695 -18.394 489 HD1 PHE 62 HD1 PHE 62 6.970 -9.470 -18.967 490 HD2 PHE 62 HD2 PHE 62 9.675 -10.681 -15.851 491 HE1 PHE 62 HE1 PHE 62 5.049 -9.956 -17.489 492 HE2 PHE 62 HE2 PHE 62 7.749 -11.169 -14.377 493 HZ PHE 62 HZ PHE 62 5.432 -10.815 -15.198 494 H GLU 63 H GLU 63 10.884 -9.461 -20.485 495 HA GLU 63 HA GLU 63 12.999 -7.648 -21.185 496 1HB GLU 63 1HB GLU 63 13.534 -10.687 -21.276 497 2HB GLU 63 2HB GLU 63 14.385 -9.478 -22.299 498 1HG GLU 63 1HG GLU 63 15.155 -8.310 -20.139 499 2HG GLU 63 2HG GLU 63 14.516 -9.731 -19.233 500 HA PRO 64 HA PRO 64 9.898 -9.397 -24.416 501 1HB PRO 64 1HB PRO 64 9.223 -7.197 -26.044 502 2HB PRO 64 2HB PRO 64 8.382 -7.659 -24.517 503 1HG PRO 64 1HG PRO 64 10.409 -5.457 -24.957 504 2HG PRO 64 2HG PRO 64 8.998 -5.497 -23.837 505 1HD PRO 64 1HD PRO 64 11.736 -5.977 -23.118 506 2HD PRO 64 2HD PRO 64 10.298 -6.480 -22.126 507 H LYS 65 H LYS 65 12.308 -6.895 -25.684 508 HA LYS 65 HA LYS 65 13.585 -9.089 -27.158 509 1HB LYS 65 1HB LYS 65 12.251 -7.857 -28.887 510 2HB LYS 65 2HB LYS 65 13.055 -6.342 -28.409 511 1HG LYS 65 1HG LYS 65 15.316 -7.495 -29.048 512 2HG LYS 65 2HG LYS 65 14.318 -8.866 -29.629 513 1HD LYS 65 1HD LYS 65 14.818 -7.705 -31.560 514 2HD LYS 65 2HD LYS 65 13.156 -7.129 -31.221 515 1HE LYS 65 1HE LYS 65 15.743 -5.595 -30.396 516 2HE LYS 65 2HE LYS 65 14.946 -5.393 -32.003 517 1HZ LYS 65 1HZ LYS 65 12.969 -4.609 -30.886 518 2HZ LYS 65 2HZ LYS 65 13.697 -4.752 -29.355 519 3HZ LYS 65 3HZ LYS 65 14.347 -3.686 -30.482 520 H LYS 66 H LYS 66 14.330 -5.480 -27.012 521 HA LYS 66 HA LYS 66 16.197 -5.832 -24.866 522 1HB LYS 66 1HB LYS 66 17.249 -5.366 -27.693 523 2HB LYS 66 2HB LYS 66 18.097 -4.598 -26.311 524 1HG LYS 66 1HG LYS 66 17.662 -7.631 -26.524 525 2HG LYS 66 2HG LYS 66 19.105 -6.752 -27.086 526 1HD LYS 66 1HD LYS 66 20.025 -6.707 -25.076 527 2HD LYS 66 2HD LYS 66 18.613 -5.898 -24.343 528 1HE LYS 66 1HE LYS 66 18.845 -8.973 -24.739 529 2HE LYS 66 2HE LYS 66 19.306 -8.087 -23.230 530 1HZ LYS 66 1HZ LYS 66 17.005 -7.257 -23.146 531 2HZ LYS 66 2HZ LYS 66 16.594 -8.278 -24.442 532 3HZ LYS 66 3HZ LYS 66 17.144 -8.930 -22.952 533 H GLU 67 H GLU 67 16.047 -3.374 -27.575 534 HA GLU 67 HA GLU 67 16.126 -1.312 -25.552 535 1HB GLU 67 1HB GLU 67 16.925 0.167 -27.190 536 2HB GLU 67 2HB GLU 67 17.742 -1.406 -27.377 537 1HG GLU 67 1HG GLU 67 15.687 -0.133 -29.272 538 2HG GLU 67 2HG GLU 67 17.411 -0.529 -29.564 539 H GLU 68 H GLU 68 13.690 -1.998 -25.001 540 HA GLU 68 HA GLU 68 11.783 -0.296 -26.524 541 1HB GLU 68 1HB GLU 68 11.129 -2.795 -24.842 542 2HB GLU 68 2HB GLU 68 9.980 -1.786 -25.769 543 1HG GLU 68 1HG GLU 68 10.271 -3.688 -27.097 544 2HG GLU 68 2HG GLU 68 11.293 -2.445 -27.910 545 H ILE 69 H ILE 69 12.233 -1.653 -23.159 546 HA ILE 69 HA ILE 69 10.143 -0.093 -22.042 547 HB ILE 69 HB ILE 69 12.581 -1.516 -20.820 548 1HG1 ILE 69 1HG1 ILE 69 11.302 -3.091 -22.201 549 2HG1 ILE 69 2HG1 ILE 69 11.078 -3.442 -20.470 550 1HG2 ILE 69 1HG2 ILE 69 11.622 -0.038 -19.107 551 2HG2 ILE 69 2HG2 ILE 69 11.119 -1.730 -18.757 552 3HG2 ILE 69 3HG2 ILE 69 9.961 -0.590 -19.537 553 1HD1 ILE 69 1HD1 ILE 69 8.947 -3.703 -21.697 554 2HD1 ILE 69 2HD1 ILE 69 8.804 -2.345 -20.528 555 3HD1 ILE 69 3HD1 ILE 69 9.021 -2.012 -22.290 556 H LYS 70 H LYS 70 13.749 0.437 -22.010 557 HA LYS 70 HA LYS 70 13.846 2.821 -20.517 558 1HB LYS 70 1HB LYS 70 15.841 1.445 -21.209 559 2HB LYS 70 2HB LYS 70 15.625 2.022 -22.895 560 1HG LYS 70 1HG LYS 70 16.045 4.382 -22.125 561 2HG LYS 70 2HG LYS 70 16.190 3.799 -20.431 562 1HD LYS 70 1HD LYS 70 18.176 2.424 -21.075 563 2HD LYS 70 2HD LYS 70 18.017 2.988 -22.779 564 1HE LYS 70 1HE LYS 70 18.416 5.367 -22.034 565 2HE LYS 70 2HE LYS 70 18.574 4.801 -20.322 566 1HZ LYS 70 1HZ LYS 70 20.694 5.118 -21.365 567 2HZ LYS 70 2HZ LYS 70 20.469 3.478 -20.995 568 3HZ LYS 70 3HZ LYS 70 20.325 4.016 -22.599 569 H LYS 71 H LYS 71 12.996 2.343 -24.024 570 HA LYS 71 HA LYS 71 12.875 5.079 -24.784 571 1HB LYS 71 1HB LYS 71 11.042 2.841 -25.825 572 2HB LYS 71 2HB LYS 71 11.297 4.438 -26.575 573 1HG LYS 71 1HG LYS 71 13.453 2.254 -26.267 574 2HG LYS 71 2HG LYS 71 12.453 2.573 -27.725 575 1HD LYS 71 1HD LYS 71 13.370 4.992 -27.685 576 2HD LYS 71 2HD LYS 71 14.588 4.418 -26.498 577 1HE LYS 71 1HE LYS 71 14.140 3.377 -29.391 578 2HE LYS 71 2HE LYS 71 15.529 4.379 -28.808 579 1HZ LYS 71 1HZ LYS 71 16.146 2.547 -27.360 580 2HZ LYS 71 2HZ LYS 71 16.101 2.072 -28.988 581 3HZ LYS 71 3HZ LYS 71 14.853 1.604 -27.939 582 H MET 72 H MET 72 10.071 2.892 -23.623 583 HA MET 72 HA MET 72 8.137 4.874 -23.595 584 1HB MET 72 1HB MET 72 8.430 2.370 -21.902 585 2HB MET 72 2HB MET 72 7.081 3.518 -21.602 586 1HG MET 72 1HG MET 72 6.288 1.747 -22.983 587 2HG MET 72 2HG MET 72 6.215 3.304 -23.850 588 1HE MET 72 1HE MET 72 8.282 4.043 -25.667 589 2HE MET 72 2HE MET 72 6.691 3.473 -26.251 590 3HE MET 72 3HE MET 72 8.196 2.880 -27.020 591 H ILE 73 H ILE 73 10.307 4.171 -20.687 592 HA ILE 73 HA ILE 73 9.146 6.235 -19.095 593 HB ILE 73 HB ILE 73 11.979 5.108 -18.974 594 1HG1 ILE 73 1HG1 ILE 73 10.337 3.272 -18.822 595 2HG1 ILE 73 2HG1 ILE 73 11.142 3.567 -17.257 596 1HG2 ILE 73 1HG2 ILE 73 10.310 6.668 -16.884 597 2HG2 ILE 73 2HG2 ILE 73 11.836 7.208 -17.669 598 3HG2 ILE 73 3HG2 ILE 73 11.860 5.813 -16.545 599 1HD1 ILE 73 1HD1 ILE 73 8.269 4.439 -18.000 600 2HD1 ILE 73 2HD1 ILE 73 8.747 3.112 -16.888 601 3HD1 ILE 73 3HD1 ILE 73 9.086 4.815 -16.438 602 H SER 74 H SER 74 12.109 6.461 -21.312 603 HA SER 74 HA SER 74 12.509 9.235 -20.790 604 1HB SER 74 1HB SER 74 14.206 7.598 -21.757 605 2HB SER 74 2HB SER 74 13.292 7.648 -23.305 606 HG SER 74 HG SER 74 14.608 9.784 -21.955 607 H GLU 75 H GLU 75 10.450 7.608 -23.250 608 HA GLU 75 HA GLU 75 9.928 9.763 -24.947 609 1HB GLU 75 1HB GLU 75 9.609 7.356 -25.448 610 2HB GLU 75 2HB GLU 75 8.249 7.280 -24.282 611 1HG GLU 75 1HG GLU 75 6.894 8.785 -25.761 612 2HG GLU 75 2HG GLU 75 8.291 8.935 -26.902 613 H ILE 76 H ILE 76 7.827 8.618 -22.111 614 HA ILE 76 HA ILE 76 6.083 10.930 -22.473 615 HB ILE 76 HB ILE 76 6.056 8.801 -20.313 616 1HG1 ILE 76 1HG1 ILE 76 4.895 9.076 -23.144 617 2HG1 ILE 76 2HG1 ILE 76 5.779 7.695 -22.410 618 1HG2 ILE 76 1HG2 ILE 76 3.674 9.568 -19.976 619 2HG2 ILE 76 2HG2 ILE 76 3.946 10.908 -21.150 620 3HG2 ILE 76 3HG2 ILE 76 4.830 10.850 -19.579 621 1HD1 ILE 76 1HD1 ILE 76 2.860 8.557 -21.906 622 2HD1 ILE 76 2HD1 ILE 76 3.732 7.364 -20.875 623 3HD1 ILE 76 3HD1 ILE 76 3.466 7.028 -22.631 624 H ASP 77 H ASP 77 9.085 10.478 -20.592 625 HA ASP 77 HA ASP 77 8.465 12.609 -18.698 626 1HB ASP 77 1HB ASP 77 9.844 10.530 -18.168 627 2HB ASP 77 2HB ASP 77 11.145 11.190 -19.208 628 H LYS 78 H LYS 78 8.141 14.588 -20.074 629 HA LYS 78 HA LYS 78 10.594 15.598 -21.397 630 1HB LYS 78 1HB LYS 78 7.887 15.158 -22.747 631 2HB LYS 78 2HB LYS 78 9.099 16.318 -23.401 632 1HG LYS 78 1HG LYS 78 10.769 14.561 -23.686 633 2HG LYS 78 2HG LYS 78 9.672 13.336 -22.956 634 1HD LYS 78 1HD LYS 78 8.039 13.624 -24.731 635 2HD LYS 78 2HD LYS 78 9.011 14.916 -25.523 636 1HE LYS 78 1HE LYS 78 10.707 13.384 -26.267 637 2HE LYS 78 2HE LYS 78 10.266 12.153 -25.015 638 1HZ LYS 78 1HZ LYS 78 9.543 11.536 -27.225 639 2HZ LYS 78 2HZ LYS 78 8.532 12.903 -27.310 640 3HZ LYS 78 3HZ LYS 78 8.259 11.710 -26.121 641 H GLU 79 H GLU 79 7.116 16.771 -21.326 642 HA GLU 79 HA GLU 79 8.137 19.499 -21.283 643 1HB GLU 79 1HB GLU 79 5.311 19.710 -21.229 644 2HB GLU 79 2HB GLU 79 6.408 19.889 -22.617 645 1HG GLU 79 1HG GLU 79 4.550 18.364 -23.142 646 2HG GLU 79 2HG GLU 79 6.131 17.515 -23.247 647 H GLY 80 H GLY 80 5.575 17.788 -19.302 648 1HA GLY 80 1HA GLY 80 6.480 19.407 -16.956 649 2HA GLY 80 2HA GLY 80 4.876 18.626 -17.186 650 H THR 81 H THR 81 8.193 17.368 -17.655 651 HA THR 81 HA THR 81 9.141 15.465 -17.250 652 HB THR 81 HB THR 81 9.337 14.524 -15.009 653 HG1 THR 81 HG1 THR 81 7.057 16.109 -14.622 654 1HG2 THR 81 1HG2 THR 81 10.256 16.555 -13.934 655 2HG2 THR 81 2HG2 THR 81 9.329 17.623 -15.046 656 3HG2 THR 81 3HG2 THR 81 10.634 16.558 -15.693 657 H GLY 82 H GLY 82 7.896 13.225 -15.438 658 1HA GLY 82 1HA GLY 82 6.378 12.075 -17.697 659 2HA GLY 82 2HA GLY 82 7.402 11.251 -16.496 660 H LYS 83 H LYS 83 4.332 12.318 -17.390 661 HA LYS 83 HA LYS 83 3.101 10.822 -15.175 662 1HB LYS 83 1HB LYS 83 1.152 12.236 -15.107 663 2HB LYS 83 2HB LYS 83 2.605 13.212 -14.744 664 1HG LYS 83 1HG LYS 83 1.010 13.228 -17.397 665 2HG LYS 83 2HG LYS 83 0.925 14.410 -16.061 666 1HD LYS 83 1HD LYS 83 2.317 15.646 -17.295 667 2HD LYS 83 2HD LYS 83 3.603 14.605 -16.603 668 1HE LYS 83 1HE LYS 83 3.389 13.122 -18.722 669 2HE LYS 83 2HE LYS 83 2.192 14.311 -19.368 670 1HZ LYS 83 1HZ LYS 83 4.454 14.625 -20.182 671 2HZ LYS 83 2HZ LYS 83 3.927 15.974 -19.367 672 3HZ LYS 83 3HZ LYS 83 5.028 14.891 -18.622 673 H MET 84 H MET 84 1.713 9.227 -15.834 674 HA MET 84 HA MET 84 0.966 9.092 -18.709 675 1HB MET 84 1HB MET 84 2.868 7.542 -17.921 676 2HB MET 84 2HB MET 84 1.653 6.720 -16.891 677 1HG MET 84 1HG MET 84 0.319 6.267 -19.040 678 2HG MET 84 2HG MET 84 1.675 6.981 -19.963 679 1HE MET 84 1HE MET 84 2.088 5.031 -21.441 680 2HE MET 84 2HE MET 84 3.089 3.618 -20.959 681 3HE MET 84 3HE MET 84 3.776 5.261 -20.849 682 H ASN 85 H ASN 85 -1.249 8.732 -19.108 683 HA ASN 85 HA ASN 85 -2.999 7.942 -16.819 684 1HB ASN 85 1HB ASN 85 -3.662 10.015 -18.085 685 2HB ASN 85 2HB ASN 85 -3.547 9.112 -19.625 686 1HD2 ASN 85 1HD2 ASN 85 -5.335 8.792 -16.413 687 2HD2 ASN 85 2HD2 ASN 85 -6.866 8.475 -17.154 688 H PHE 86 H PHE 86 -4.882 6.344 -17.691 689 HA PHE 86 HA PHE 86 -3.557 3.940 -18.404 690 1HB PHE 86 1HB PHE 86 -5.634 4.161 -16.938 691 2HB PHE 86 2HB PHE 86 -6.597 4.512 -18.414 692 HD1 PHE 86 HD1 PHE 86 -4.342 1.970 -16.828 693 HD2 PHE 86 HD2 PHE 86 -7.470 2.666 -19.679 694 HE1 PHE 86 HE1 PHE 86 -4.652 -0.468 -17.068 695 HE2 PHE 86 HE2 PHE 86 -7.769 0.225 -19.945 696 HZ PHE 86 HZ PHE 86 -6.363 -1.351 -18.638 697 H GLY 87 H GLY 87 -5.552 6.186 -20.518 698 1HA GLY 87 1HA GLY 87 -5.692 4.522 -22.795 699 2HA GLY 87 2HA GLY 87 -5.640 6.322 -22.753 700 H ASP 88 H ASP 88 -2.972 6.813 -21.832 701 HA ASP 88 HA ASP 88 -1.250 6.267 -24.000 702 1HB ASP 88 1HB ASP 88 -0.387 6.746 -21.081 703 2HB ASP 88 2HB ASP 88 0.592 7.067 -22.558 704 H PHE 89 H PHE 89 -1.313 4.707 -20.662 705 HA PHE 89 HA PHE 89 0.723 2.865 -21.119 706 1HB PHE 89 1HB PHE 89 -0.382 3.557 -18.874 707 2HB PHE 89 2HB PHE 89 -1.694 2.400 -19.253 708 HD1 PHE 89 HD1 PHE 89 2.100 1.963 -19.748 709 HD2 PHE 89 HD2 PHE 89 -1.435 0.833 -17.575 710 HE1 PHE 89 HE1 PHE 89 3.415 0.363 -18.443 711 HE2 PHE 89 HE2 PHE 89 -0.101 -0.774 -16.260 712 HZ PHE 89 HZ PHE 89 2.341 -0.972 -16.654 713 H LEU 90 H LEU 90 -2.852 2.223 -21.468 714 HA LEU 90 HA LEU 90 -2.638 -0.452 -22.284 715 1HB LEU 90 1HB LEU 90 -4.756 0.713 -21.568 716 2HB LEU 90 2HB LEU 90 -4.748 1.615 -23.114 717 HG LEU 90 HG LEU 90 -4.949 -0.584 -24.358 718 1HD1 LEU 90 1HD1 LEU 90 -5.292 -1.815 -21.543 719 2HD1 LEU 90 2HD1 LEU 90 -3.960 -2.160 -22.709 720 3HD1 LEU 90 3HD1 LEU 90 -5.645 -2.641 -23.107 721 1HD2 LEU 90 1HD2 LEU 90 -7.344 -0.956 -23.827 722 2HD2 LEU 90 2HD2 LEU 90 -7.160 -0.055 -22.274 723 3HD2 LEU 90 3HD2 LEU 90 -6.947 0.802 -23.847 724 H THR 91 H THR 91 -2.915 2.501 -24.529 725 HA THR 91 HA THR 91 -2.652 0.921 -26.857 726 HB THR 91 HB THR 91 -2.252 2.989 -28.119 727 HG1 THR 91 HG1 THR 91 -2.268 4.920 -27.012 728 1HG2 THR 91 1HG2 THR 91 -4.512 3.163 -25.993 729 2HG2 THR 91 2HG2 THR 91 -4.485 3.976 -27.597 730 3HG2 THR 91 3HG2 THR 91 -4.564 2.181 -27.502 731 H VAL 92 H VAL 92 -0.042 2.939 -25.203 732 HA VAL 92 HA VAL 92 1.873 2.157 -27.115 733 HB VAL 92 HB VAL 92 1.940 4.232 -25.678 734 1HG1 VAL 92 1HG1 VAL 92 1.954 3.014 -23.409 735 2HG1 VAL 92 2HG1 VAL 92 3.616 2.443 -23.794 736 3HG1 VAL 92 3HG1 VAL 92 3.284 4.203 -23.652 737 1HG2 VAL 92 1HG2 VAL 92 4.408 4.362 -26.014 738 2HG2 VAL 92 2HG2 VAL 92 3.594 3.587 -27.420 739 3HG2 VAL 92 3HG2 VAL 92 4.489 2.573 -26.226 740 H MET 93 H MET 93 1.467 0.734 -23.719 741 HA MET 93 HA MET 93 3.593 -1.104 -24.087 742 1HB MET 93 1HB MET 93 2.580 -0.453 -21.851 743 2HB MET 93 2HB MET 93 1.174 -1.484 -22.249 744 1HG MET 93 1HG MET 93 2.683 -2.701 -20.781 745 2HG MET 93 2HG MET 93 2.661 -3.486 -22.382 746 1HE MET 93 1HE MET 93 4.565 -0.357 -20.731 747 2HE MET 93 2HE MET 93 6.140 -1.138 -20.365 748 3HE MET 93 3HE MET 93 4.639 -1.747 -19.593 749 H THR 94 H THR 94 -0.042 -1.709 -24.587 750 HA THR 94 HA THR 94 0.465 -4.422 -25.288 751 HB THR 94 HB THR 94 -1.790 -4.737 -25.953 752 HG1 THR 94 HG1 THR 94 -2.163 -1.950 -25.524 753 1HG2 THR 94 1HG2 THR 94 -1.155 -4.741 -23.537 754 2HG2 THR 94 2HG2 THR 94 -2.839 -4.155 -23.761 755 3HG2 THR 94 3HG2 THR 94 -1.526 -2.981 -23.410 756 H GLN 95 H GLN 95 -0.281 -1.580 -27.606 757 HA GLN 95 HA GLN 95 0.087 -3.239 -29.876 758 1HB GLN 95 1HB GLN 95 -1.069 -0.964 -29.815 759 2HB GLN 95 2HB GLN 95 0.551 -0.218 -29.694 760 1HG GLN 95 1HG GLN 95 -0.166 -0.010 -31.972 761 2HG GLN 95 2HG GLN 95 1.118 -1.262 -31.992 762 1HE2 GLN 95 1HE2 GLN 95 0.341 -3.633 -32.090 763 2HE2 GLN 95 2HE2 GLN 95 -1.149 -3.949 -32.895 764 H LYS 96 H LYS 96 2.705 -1.450 -27.975 765 HA LYS 96 HA LYS 96 4.687 -1.992 -29.981 766 1HB LYS 96 1HB LYS 96 4.901 -0.248 -28.143 767 2HB LYS 96 2HB LYS 96 5.291 -1.590 -27.017 768 1HG LYS 96 1HG LYS 96 7.257 -2.202 -28.504 769 2HG LYS 96 2HG LYS 96 6.760 -0.903 -29.647 770 1HD LYS 96 1HD LYS 96 7.086 0.776 -27.733 771 2HD LYS 96 2HD LYS 96 7.725 -0.575 -26.738 772 1HE LYS 96 1HE LYS 96 9.607 0.721 -27.688 773 2HE LYS 96 2HE LYS 96 9.581 -0.928 -28.437 774 1HZ LYS 96 1HZ LYS 96 8.489 1.566 -29.640 775 2HZ LYS 96 2HZ LYS 96 9.943 0.792 -30.057 776 3HZ LYS 96 3HZ LYS 96 8.459 0.019 -30.340 777 H MET 97 H MET 97 3.608 -4.029 -27.081 778 HA MET 97 HA MET 97 5.589 -6.071 -27.655 779 1HB MET 97 1HB MET 97 3.031 -6.115 -25.969 780 2HB MET 97 2HB MET 97 4.160 -7.508 -26.118 781 1HG MET 97 1HG MET 97 6.012 -6.169 -25.196 782 2HG MET 97 2HG MET 97 4.952 -4.732 -25.048 783 1HE MET 97 1HE MET 97 6.291 -4.952 -22.638 784 2HE MET 97 2HE MET 97 5.902 -6.196 -21.399 785 3HE MET 97 3HE MET 97 6.826 -6.653 -22.868 786 H SER 98 H SER 98 1.887 -6.160 -28.120 787 HA SER 98 HA SER 98 2.205 -8.268 -30.096 788 1HB SER 98 1HB SER 98 -0.245 -8.286 -30.331 789 2HB SER 98 2HB SER 98 0.286 -8.535 -28.625 790 HG SER 98 HG SER 98 -0.323 -6.006 -29.685 Start of MODEL 16 1 1H MET 1 1H MET 1 -25.467 -8.494 -36.626 2 2H MET 1 2H MET 1 -24.009 -8.387 -37.504 3 3H MET 1 3H MET 1 -25.483 -7.918 -38.218 4 HA MET 1 HA MET 1 -24.864 -10.021 -39.054 5 1HB MET 1 1HB MET 1 -24.833 -10.926 -36.118 6 2HB MET 1 2HB MET 1 -24.757 -12.038 -37.523 7 1HG MET 1 1HG MET 1 -22.663 -10.965 -38.314 8 2HG MET 1 2HG MET 1 -22.691 -9.826 -36.931 9 1HE MET 1 1HE MET 1 -19.609 -12.190 -36.291 10 2HE MET 1 2HE MET 1 -20.280 -11.729 -37.892 11 3HE MET 1 3HE MET 1 -20.175 -10.510 -36.574 12 H ALA 2 H ALA 2 -26.676 -11.126 -39.989 13 HA ALA 2 HA ALA 2 -29.281 -10.372 -38.965 14 1HB ALA 2 1HB ALA 2 -30.190 -11.461 -41.009 15 2HB ALA 2 2HB ALA 2 -28.878 -10.297 -41.414 16 3HB ALA 2 3HB ALA 2 -28.540 -12.067 -41.416 17 H SER 3 H SER 3 -29.990 -11.565 -37.147 18 HA SER 3 HA SER 3 -29.209 -14.314 -36.835 19 1HB SER 3 1HB SER 3 -30.426 -14.132 -34.621 20 2HB SER 3 2HB SER 3 -29.128 -12.915 -34.882 21 HG SER 3 HG SER 3 -31.886 -12.511 -35.369 22 H ASN 4 H ASN 4 -30.290 -15.522 -38.488 23 HA ASN 4 HA ASN 4 -33.182 -15.328 -38.745 24 1HB ASN 4 1HB ASN 4 -31.188 -17.094 -40.285 25 2HB ASN 4 2HB ASN 4 -32.923 -16.846 -40.707 26 1HD2 ASN 4 1HD2 ASN 4 -29.937 -15.898 -41.723 27 2HD2 ASN 4 2HD2 ASN 4 -30.278 -14.285 -42.251 28 H PHE 5 H PHE 5 -30.942 -18.133 -37.846 29 HA PHE 5 HA PHE 5 -33.151 -19.976 -37.918 30 1HB PHE 5 1HB PHE 5 -30.328 -20.476 -36.790 31 2HB PHE 5 2HB PHE 5 -31.529 -21.725 -37.300 32 HD1 PHE 5 HD1 PHE 5 -32.407 -21.474 -39.796 33 HD2 PHE 5 HD2 PHE 5 -28.742 -19.744 -38.348 34 HE1 PHE 5 HE1 PHE 5 -31.569 -21.297 -42.115 35 HE2 PHE 5 HE2 PHE 5 -27.910 -19.572 -40.668 36 HZ PHE 5 HZ PHE 5 -29.322 -20.343 -42.556 37 H LYS 6 H LYS 6 -34.679 -19.241 -36.316 38 HA LYS 6 HA LYS 6 -35.695 -19.065 -34.368 39 1HB LYS 6 1HB LYS 6 -34.777 -21.281 -33.692 40 2HB LYS 6 2HB LYS 6 -33.388 -20.456 -32.917 41 1HG LYS 6 1HG LYS 6 -34.975 -19.226 -31.402 42 2HG LYS 6 2HG LYS 6 -36.360 -20.081 -32.149 43 1HD LYS 6 1HD LYS 6 -33.999 -21.371 -30.622 44 2HD LYS 6 2HD LYS 6 -35.614 -21.027 -29.927 45 1HE LYS 6 1HE LYS 6 -35.024 -23.033 -32.222 46 2HE LYS 6 2HE LYS 6 -35.383 -23.439 -30.499 47 1HZ LYS 6 1HZ LYS 6 -37.216 -22.049 -32.385 48 2HZ LYS 6 2HZ LYS 6 -37.301 -23.673 -31.899 49 3HZ LYS 6 3HZ LYS 6 -37.551 -22.433 -30.766 50 H LYS 7 H LYS 7 -32.289 -18.567 -33.102 51 HA LYS 7 HA LYS 7 -32.531 -15.744 -33.491 52 1HB LYS 7 1HB LYS 7 -33.587 -16.435 -31.083 53 2HB LYS 7 2HB LYS 7 -31.887 -16.316 -30.570 54 1HG LYS 7 1HG LYS 7 -33.690 -14.174 -31.875 55 2HG LYS 7 2HG LYS 7 -33.096 -14.205 -30.179 56 1HD LYS 7 1HD LYS 7 -30.742 -13.860 -31.025 57 2HD LYS 7 2HD LYS 7 -31.383 -13.826 -32.705 58 1HE LYS 7 1HE LYS 7 -32.834 -11.807 -32.040 59 2HE LYS 7 2HE LYS 7 -31.924 -11.762 -30.474 60 1HZ LYS 7 1HZ LYS 7 -30.917 -10.290 -32.019 61 2HZ LYS 7 2HZ LYS 7 -30.843 -11.483 -33.234 62 3HZ LYS 7 3HZ LYS 7 -29.868 -11.628 -31.847 63 H ALA 8 H ALA 8 -30.716 -16.976 -34.901 64 HA ALA 8 HA ALA 8 -28.354 -17.786 -33.444 65 1HB ALA 8 1HB ALA 8 -28.828 -17.575 -36.470 66 2HB ALA 8 2HB ALA 8 -27.417 -18.371 -35.675 67 3HB ALA 8 3HB ALA 8 -29.072 -19.043 -35.453 68 H ASN 9 H ASN 9 -27.562 -15.786 -32.444 69 HA ASN 9 HA ASN 9 -27.131 -13.390 -33.841 70 1HB ASN 9 1HB ASN 9 -25.649 -14.360 -31.325 71 2HB ASN 9 2HB ASN 9 -25.696 -12.661 -31.921 72 1HD2 ASN 9 1HD2 ASN 9 -27.216 -14.835 -29.777 73 2HD2 ASN 9 2HD2 ASN 9 -28.720 -14.009 -29.574 74 H MET 10 H MET 10 -24.632 -16.020 -33.320 75 HA MET 10 HA MET 10 -22.582 -14.391 -34.607 76 1HB MET 10 1HB MET 10 -22.435 -17.288 -33.633 77 2HB MET 10 2HB MET 10 -21.059 -16.337 -34.278 78 1HG MET 10 1HG MET 10 -22.659 -15.819 -31.706 79 2HG MET 10 2HG MET 10 -20.976 -16.399 -31.835 80 1HE MET 10 1HE MET 10 -19.011 -13.241 -33.153 81 2HE MET 10 2HE MET 10 -19.813 -14.415 -34.244 82 3HE MET 10 3HE MET 10 -18.968 -14.994 -32.764 83 H ALA 11 H ALA 11 -21.732 -14.658 -36.704 84 HA ALA 11 HA ALA 11 -23.277 -16.232 -38.589 85 1HB ALA 11 1HB ALA 11 -21.800 -15.245 -40.333 86 2HB ALA 11 2HB ALA 11 -20.774 -14.512 -39.043 87 3HB ALA 11 3HB ALA 11 -22.480 -13.974 -39.254 88 H SER 12 H SER 12 -22.897 -18.479 -38.439 89 HA SER 12 HA SER 12 -20.420 -19.613 -37.779 90 1HB SER 12 1HB SER 12 -22.758 -20.983 -39.223 91 2HB SER 12 2HB SER 12 -21.452 -21.800 -38.275 92 HG SER 12 HG SER 12 -23.357 -21.503 -37.085 93 H SER 13 H SER 13 -18.904 -20.990 -38.997 94 HA SER 13 HA SER 13 -18.231 -19.764 -41.475 95 1HB SER 13 1HB SER 13 -16.938 -22.084 -39.930 96 2HB SER 13 2HB SER 13 -16.141 -21.175 -41.262 97 HG SER 13 HG SER 13 -16.218 -19.350 -40.065 98 H SER 14 H SER 14 -20.444 -20.815 -42.452 99 HA SER 14 HA SER 14 -19.802 -23.240 -44.004 100 1HB SER 14 1HB SER 14 -22.156 -22.782 -44.997 101 2HB SER 14 2HB SER 14 -22.082 -23.221 -43.252 102 HG SER 14 HG SER 14 -23.422 -21.460 -43.594 103 H GLN 15 H GLN 15 -21.142 -19.978 -44.943 104 HA GLN 15 HA GLN 15 -19.626 -19.903 -47.423 105 1HB GLN 15 1HB GLN 15 -21.192 -17.666 -46.015 106 2HB GLN 15 2HB GLN 15 -20.549 -17.609 -47.696 107 1HG GLN 15 1HG GLN 15 -22.040 -19.543 -48.322 108 2HG GLN 15 2HG GLN 15 -22.710 -19.567 -46.649 109 1HE2 GLN 15 1HE2 GLN 15 -23.366 -18.394 -49.736 110 2HE2 GLN 15 2HE2 GLN 15 -24.334 -17.018 -49.320 111 H ARG 16 H ARG 16 -19.408 -17.924 -44.292 112 HA ARG 16 HA ARG 16 -16.807 -16.881 -45.054 113 1HB ARG 16 1HB ARG 16 -18.485 -15.596 -43.638 114 2HB ARG 16 2HB ARG 16 -18.187 -16.760 -42.317 115 1HG ARG 16 1HG ARG 16 -16.939 -14.690 -41.927 116 2HG ARG 16 2HG ARG 16 -15.802 -16.043 -42.187 117 1HD ARG 16 1HD ARG 16 -15.017 -13.954 -43.308 118 2HD ARG 16 2HD ARG 16 -15.344 -15.259 -44.527 119 HE ARG 16 HE ARG 16 -17.718 -13.651 -44.108 120 1HH1 ARG 16 1HH1 ARG 16 -14.474 -13.469 -45.625 121 2HH1 ARG 16 2HH1 ARG 16 -14.934 -12.338 -46.831 122 1HH2 ARG 16 1HH2 ARG 16 -18.345 -12.094 -45.773 123 2HH2 ARG 16 2HH2 ARG 16 -17.194 -11.537 -46.915 124 H LYS 17 H LYS 17 -15.984 -19.220 -45.437 125 HA LYS 17 HA LYS 17 -15.739 -20.954 -43.197 126 1HB LYS 17 1HB LYS 17 -16.128 -21.627 -45.561 127 2HB LYS 17 2HB LYS 17 -14.398 -21.305 -45.908 128 1HG LYS 17 1HG LYS 17 -13.712 -23.036 -44.277 129 2HG LYS 17 2HG LYS 17 -15.404 -23.240 -43.713 130 1HD LYS 17 1HD LYS 17 -14.415 -23.892 -46.560 131 2HD LYS 17 2HD LYS 17 -14.566 -25.072 -45.209 132 1HE LYS 17 1HE LYS 17 -17.053 -24.571 -45.060 133 2HE LYS 17 2HE LYS 17 -16.896 -23.488 -46.501 134 1HZ LYS 17 1HZ LYS 17 -16.287 -26.396 -46.417 135 2HZ LYS 17 2HZ LYS 17 -17.653 -25.657 -47.099 136 3HZ LYS 17 3HZ LYS 17 -16.119 -25.379 -47.768 137 H ARG 18 H ARG 18 -13.131 -18.984 -44.892 138 HA ARG 18 HA ARG 18 -11.166 -19.883 -42.882 139 1HB ARG 18 1HB ARG 18 -10.424 -19.525 -45.254 140 2HB ARG 18 2HB ARG 18 -10.825 -17.786 -45.088 141 1HG ARG 18 1HG ARG 18 -9.099 -17.596 -43.241 142 2HG ARG 18 2HG ARG 18 -8.789 -19.359 -43.372 143 1HD ARG 18 1HD ARG 18 -7.007 -18.091 -44.537 144 2HD ARG 18 2HD ARG 18 -7.979 -19.049 -45.742 145 HE ARG 18 HE ARG 18 -9.108 -16.406 -45.435 146 1HH1 ARG 18 1HH1 ARG 18 -6.231 -18.042 -46.817 147 2HH1 ARG 18 2HH1 ARG 18 -5.956 -16.866 -48.034 148 1HH2 ARG 18 1HH2 ARG 18 -8.721 -14.785 -47.120 149 2HH2 ARG 18 2HH2 ARG 18 -7.410 -14.967 -48.208 150 H MET 19 H MET 19 -11.795 -19.031 -40.848 151 HA MET 19 HA MET 19 -12.089 -16.102 -40.560 152 1HB MET 19 1HB MET 19 -14.364 -17.175 -40.892 153 2HB MET 19 2HB MET 19 -14.053 -18.209 -39.463 154 1HG MET 19 1HG MET 19 -13.960 -16.184 -38.007 155 2HG MET 19 2HG MET 19 -14.165 -15.127 -39.442 156 1HE MET 19 1HE MET 19 -17.508 -14.701 -37.451 157 2HE MET 19 2HE MET 19 -15.867 -14.996 -36.782 158 3HE MET 19 3HE MET 19 -16.081 -13.898 -38.190 159 H SER 20 H SER 20 -10.350 -15.671 -39.110 160 HA SER 20 HA SER 20 -10.233 -17.282 -36.629 161 1HB SER 20 1HB SER 20 -8.430 -18.056 -38.242 162 2HB SER 20 2HB SER 20 -7.746 -16.394 -38.208 163 HG SER 20 HG SER 20 -7.964 -18.313 -36.132 164 HA PRO 21 HA PRO 21 -10.249 -12.730 -35.545 165 1HB PRO 21 1HB PRO 21 -11.668 -13.918 -33.093 166 2HB PRO 21 2HB PRO 21 -12.051 -12.378 -33.961 167 1HG PRO 21 1HG PRO 21 -13.600 -14.589 -34.359 168 2HG PRO 21 2HG PRO 21 -13.081 -13.605 -35.790 169 1HD PRO 21 1HD PRO 21 -11.813 -16.210 -34.745 170 2HD PRO 21 2HD PRO 21 -12.274 -15.757 -36.450 171 H LYS 22 H LYS 22 -8.592 -11.686 -34.355 172 HA LYS 22 HA LYS 22 -7.127 -13.277 -32.317 173 1HB LYS 22 1HB LYS 22 -5.878 -11.712 -34.634 174 2HB LYS 22 2HB LYS 22 -4.983 -12.449 -33.256 175 1HG LYS 22 1HG LYS 22 -5.883 -14.712 -33.908 176 2HG LYS 22 2HG LYS 22 -6.680 -13.965 -35.335 177 1HD LYS 22 1HD LYS 22 -4.452 -13.227 -36.199 178 2HD LYS 22 2HD LYS 22 -3.654 -13.987 -34.770 179 1HE LYS 22 1HE LYS 22 -4.564 -16.245 -35.475 180 2HE LYS 22 2HE LYS 22 -5.328 -15.474 -36.923 181 1HZ LYS 22 1HZ LYS 22 -3.233 -16.498 -37.439 182 2HZ LYS 22 2HZ LYS 22 -2.418 -15.542 -36.298 183 3HZ LYS 22 3HZ LYS 22 -3.131 -14.817 -37.658 184 HA PRO 23 HA PRO 23 -7.899 -8.967 -30.681 185 1HB PRO 23 1HB PRO 23 -7.760 -10.574 -28.055 186 2HB PRO 23 2HB PRO 23 -8.871 -9.201 -28.453 187 1HG PRO 23 1HG PRO 23 -9.798 -11.763 -28.535 188 2HG PRO 23 2HG PRO 23 -10.207 -10.636 -29.896 189 1HD PRO 23 1HD PRO 23 -7.987 -12.770 -29.827 190 2HD PRO 23 2HD PRO 23 -9.213 -12.417 -31.131 191 H GLU 24 H GLU 24 -6.579 -7.403 -29.492 192 HA GLU 24 HA GLU 24 -3.801 -7.883 -29.195 193 1HB GLU 24 1HB GLU 24 -5.570 -5.741 -27.874 194 2HB GLU 24 2HB GLU 24 -3.777 -5.671 -27.991 195 1HG GLU 24 1HG GLU 24 -3.869 -5.413 -30.428 196 2HG GLU 24 2HG GLU 24 -5.643 -5.736 -30.457 197 H LEU 25 H LEU 25 -6.405 -7.700 -26.639 198 HA LEU 25 HA LEU 25 -4.393 -8.198 -24.522 199 1HB LEU 25 1HB LEU 25 -7.339 -7.320 -24.400 200 2HB LEU 25 2HB LEU 25 -6.254 -7.452 -22.976 201 HG LEU 25 HG LEU 25 -5.687 -5.586 -25.357 202 1HD1 LEU 25 1HD1 LEU 25 -7.945 -5.081 -24.408 203 2HD1 LEU 25 2HD1 LEU 25 -6.759 -3.757 -24.156 204 3HD1 LEU 25 3HD1 LEU 25 -7.199 -4.846 -22.781 205 1HD2 LEU 25 1HD2 LEU 25 -3.726 -6.041 -23.904 206 2HD2 LEU 25 2HD2 LEU 25 -4.288 -4.346 -23.691 207 3HD2 LEU 25 3HD2 LEU 25 -4.668 -5.582 -22.437 208 H THR 26 H THR 26 -4.171 -10.523 -24.778 209 HA THR 26 HA THR 26 -6.558 -12.166 -24.922 210 HB THR 26 HB THR 26 -4.812 -14.035 -25.131 211 HG1 THR 26 HG1 THR 26 -2.732 -13.283 -25.559 212 1HG2 THR 26 1HG2 THR 26 -4.273 -13.307 -27.469 213 2HG2 THR 26 2HG2 THR 26 -4.701 -11.605 -27.068 214 3HG2 THR 26 3HG2 THR 26 -5.971 -12.881 -27.058 215 H GLU 27 H GLU 27 -3.733 -13.136 -23.047 216 HA GLU 27 HA GLU 27 -5.324 -13.270 -20.533 217 1HB GLU 27 1HB GLU 27 -3.467 -15.473 -21.636 218 2HB GLU 27 2HB GLU 27 -4.202 -15.455 -19.993 219 1HG GLU 27 1HG GLU 27 -6.496 -15.530 -21.014 220 2HG GLU 27 2HG GLU 27 -5.766 -15.575 -22.663 221 H GLU 28 H GLU 28 -1.939 -13.879 -21.808 222 HA GLU 28 HA GLU 28 -0.536 -12.785 -19.655 223 1HB GLU 28 1HB GLU 28 0.403 -14.226 -21.463 224 2HB GLU 28 2HB GLU 28 0.250 -12.865 -22.623 225 1HG GLU 28 1HG GLU 28 1.949 -11.551 -21.333 226 2HG GLU 28 2HG GLU 28 2.003 -12.840 -20.070 227 H GLN 29 H GLN 29 -1.325 -10.938 -22.832 228 HA GLN 29 HA GLN 29 -0.173 -8.584 -21.746 229 1HB GLN 29 1HB GLN 29 -0.346 -9.041 -24.171 230 2HB GLN 29 2HB GLN 29 -2.098 -8.637 -24.114 231 1HG GLN 29 1HG GLN 29 -1.589 -6.302 -23.494 232 2HG GLN 29 2HG GLN 29 0.102 -6.738 -23.068 233 1HE2 GLN 29 1HE2 GLN 29 -1.883 -7.470 -26.096 234 2HE2 GLN 29 2HE2 GLN 29 -0.751 -6.700 -27.162 235 H LYS 30 H LYS 30 -3.621 -9.630 -21.767 236 HA LYS 30 HA LYS 30 -4.860 -7.379 -20.629 237 1HB LYS 30 1HB LYS 30 -5.985 -9.404 -21.584 238 2HB LYS 30 2HB LYS 30 -5.398 -10.383 -20.206 239 1HG LYS 30 1HG LYS 30 -6.802 -9.064 -18.644 240 2HG LYS 30 2HG LYS 30 -7.314 -7.973 -19.985 241 1HD LYS 30 1HD LYS 30 -8.364 -9.865 -21.189 242 2HD LYS 30 2HD LYS 30 -7.814 -11.023 -19.938 243 1HE LYS 30 1HE LYS 30 -9.797 -8.684 -19.460 244 2HE LYS 30 2HE LYS 30 -10.249 -10.423 -19.683 245 1HZ LYS 30 1HZ LYS 30 -8.545 -9.323 -17.510 246 2HZ LYS 30 2HZ LYS 30 -8.965 -10.955 -17.725 247 3HZ LYS 30 3HZ LYS 30 -10.169 -9.807 -17.379 248 H GLN 31 H GLN 31 -3.423 -10.270 -18.880 249 HA GLN 31 HA GLN 31 -3.611 -9.325 -16.250 250 1HB GLN 31 1HB GLN 31 -3.089 -11.633 -16.722 251 2HB GLN 31 2HB GLN 31 -1.609 -11.203 -17.616 252 1HG GLN 31 1HG GLN 31 -1.811 -10.424 -14.647 253 2HG GLN 31 2HG GLN 31 -1.595 -12.153 -15.085 254 1HE2 GLN 31 1HE2 GLN 31 0.193 -9.331 -14.386 255 2HE2 GLN 31 2HE2 GLN 31 1.684 -9.788 -15.117 256 H GLU 32 H GLU 32 -0.687 -8.873 -18.518 257 HA GLU 32 HA GLU 32 0.932 -7.480 -16.773 258 1HB GLU 32 1HB GLU 32 0.531 -7.107 -19.782 259 2HB GLU 32 2HB GLU 32 1.842 -6.288 -18.873 260 1HG GLU 32 1HG GLU 32 2.803 -8.461 -18.165 261 2HG GLU 32 2HG GLU 32 1.513 -9.352 -19.043 262 H ILE 33 H ILE 33 -1.505 -5.800 -18.959 263 HA ILE 33 HA ILE 33 -0.827 -3.221 -17.953 264 HB ILE 33 HB ILE 33 -3.187 -4.215 -19.588 265 1HG1 ILE 33 1HG1 ILE 33 -2.146 -2.380 -21.158 266 2HG1 ILE 33 2HG1 ILE 33 -0.701 -2.467 -20.113 267 1HG2 ILE 33 1HG2 ILE 33 -2.725 -1.364 -18.495 268 2HG2 ILE 33 2HG2 ILE 33 -4.176 -2.412 -18.257 269 3HG2 ILE 33 3HG2 ILE 33 -3.803 -1.754 -19.875 270 1HD1 ILE 33 1HD1 ILE 33 -1.968 -4.811 -21.697 271 2HD1 ILE 33 2HD1 ILE 33 -0.436 -4.906 -20.743 272 3HD1 ILE 33 3HD1 ILE 33 -0.524 -3.865 -22.203 273 H ARG 34 H ARG 34 -3.715 -5.409 -16.901 274 HA ARG 34 HA ARG 34 -4.429 -3.408 -14.953 275 1HB ARG 34 1HB ARG 34 -6.126 -5.087 -15.669 276 2HB ARG 34 2HB ARG 34 -5.228 -6.345 -14.743 277 1HG ARG 34 1HG ARG 34 -5.507 -5.016 -12.651 278 2HG ARG 34 2HG ARG 34 -6.247 -3.671 -13.587 279 1HD ARG 34 1HD ARG 34 -8.274 -5.094 -14.028 280 2HD ARG 34 2HD ARG 34 -7.509 -6.452 -13.075 281 HE ARG 34 HE ARG 34 -7.401 -4.001 -11.525 282 1HH1 ARG 34 1HH1 ARG 34 -9.863 -6.391 -12.594 283 2HH1 ARG 34 2HH1 ARG 34 -10.885 -6.107 -11.239 284 1HH2 ARG 34 1HH2 ARG 34 -8.690 -3.650 -9.791 285 2HH2 ARG 34 2HH2 ARG 34 -10.206 -4.469 -9.546 286 H GLU 35 H GLU 35 -2.293 -6.441 -14.617 287 HA GLU 35 HA GLU 35 -1.795 -6.274 -11.914 288 1HB GLU 35 1HB GLU 35 -0.982 -8.082 -13.301 289 2HB GLU 35 2HB GLU 35 0.156 -6.999 -14.152 290 1HG GLU 35 1HG GLU 35 0.432 -7.158 -11.112 291 2HG GLU 35 2HG GLU 35 0.794 -8.667 -12.025 292 H ALA 36 H ALA 36 0.245 -4.391 -14.405 293 HA ALA 36 HA ALA 36 1.642 -3.108 -12.258 294 1HB ALA 36 1HB ALA 36 2.695 -3.310 -14.458 295 2HB ALA 36 2HB ALA 36 1.398 -2.316 -15.210 296 3HB ALA 36 3HB ALA 36 2.550 -1.567 -14.040 297 H PHE 37 H PHE 37 -1.081 -1.753 -14.392 298 HA PHE 37 HA PHE 37 -0.864 0.825 -13.196 299 1HB PHE 37 1HB PHE 37 -2.032 0.053 -15.462 300 2HB PHE 37 2HB PHE 37 -3.494 -0.180 -14.450 301 HD1 PHE 37 HD1 PHE 37 -4.330 1.878 -13.080 302 HD2 PHE 37 HD2 PHE 37 -1.285 2.176 -16.110 303 HE1 PHE 37 HE1 PHE 37 -4.648 4.327 -13.171 304 HE2 PHE 37 HE2 PHE 37 -1.651 4.604 -16.235 305 HZ PHE 37 HZ PHE 37 -3.287 5.689 -14.739 306 H ASP 38 H ASP 38 -3.237 -1.922 -12.446 307 HA ASP 38 HA ASP 38 -4.532 -0.542 -10.315 308 1HB ASP 38 1HB ASP 38 -5.225 -2.688 -11.616 309 2HB ASP 38 2HB ASP 38 -4.130 -3.584 -10.518 310 H LEU 39 H LEU 39 -1.422 -2.624 -10.290 311 HA LEU 39 HA LEU 39 -0.961 -2.741 -7.582 312 1HB LEU 39 1HB LEU 39 0.736 -2.949 -9.934 313 2HB LEU 39 2HB LEU 39 1.581 -1.926 -8.774 314 HG LEU 39 HG LEU 39 1.298 -3.648 -6.990 315 1HD1 LEU 39 1HD1 LEU 39 0.722 -5.993 -7.569 316 2HD1 LEU 39 2HD1 LEU 39 -0.688 -4.918 -7.882 317 3HD1 LEU 39 3HD1 LEU 39 0.321 -5.508 -9.255 318 1HD2 LEU 39 1HD2 LEU 39 2.747 -4.597 -9.547 319 2HD2 LEU 39 2HD2 LEU 39 3.393 -3.432 -8.328 320 3HD2 LEU 39 3HD2 LEU 39 3.089 -5.149 -7.864 321 H PHE 40 H PHE 40 0.088 0.012 -9.665 322 HA PHE 40 HA PHE 40 0.820 1.576 -7.338 323 1HB PHE 40 1HB PHE 40 1.088 2.198 -10.311 324 2HB PHE 40 2HB PHE 40 1.638 3.305 -8.977 325 HD1 PHE 40 HD1 PHE 40 2.437 0.237 -10.840 326 HD2 PHE 40 HD2 PHE 40 3.216 2.401 -7.210 327 HE1 PHE 40 HE1 PHE 40 4.340 -1.255 -10.356 328 HE2 PHE 40 HE2 PHE 40 5.167 0.950 -6.767 329 HZ PHE 40 HZ PHE 40 5.718 -0.901 -8.330 330 H ASP 41 H ASP 41 -1.943 1.789 -9.686 331 HA ASP 41 HA ASP 41 -3.169 3.768 -7.847 332 1HB ASP 41 1HB ASP 41 -2.790 4.558 -10.241 333 2HB ASP 41 2HB ASP 41 -3.866 3.236 -10.796 334 H ALA 42 H ALA 42 -3.871 1.953 -6.399 335 HA ALA 42 HA ALA 42 -5.498 -0.180 -7.490 336 1HB ALA 42 1HB ALA 42 -3.986 -0.570 -5.561 337 2HB ALA 42 2HB ALA 42 -5.687 -0.990 -5.160 338 3HB ALA 42 3HB ALA 42 -4.971 0.558 -4.556 339 H ASP 43 H ASP 43 -6.369 2.841 -5.677 340 HA ASP 43 HA ASP 43 -9.127 2.186 -5.303 341 1HB ASP 43 1HB ASP 43 -7.802 3.952 -4.028 342 2HB ASP 43 2HB ASP 43 -7.818 4.967 -5.511 343 H GLY 44 H GLY 44 -7.410 3.935 -8.035 344 1HA GLY 44 1HA GLY 44 -8.257 3.912 -10.219 345 2HA GLY 44 2HA GLY 44 -9.939 3.929 -9.585 346 H THR 45 H THR 45 -6.900 5.925 -9.553 347 HA THR 45 HA THR 45 -8.560 8.331 -9.118 348 HB THR 45 HB THR 45 -6.482 9.418 -8.331 349 HG1 THR 45 HG1 THR 45 -5.418 6.768 -8.547 350 1HG2 THR 45 1HG2 THR 45 -8.140 8.317 -6.784 351 2HG2 THR 45 2HG2 THR 45 -7.240 6.764 -6.915 352 3HG2 THR 45 3HG2 THR 45 -6.456 8.198 -6.159 353 H GLY 46 H GLY 46 -5.626 7.410 -11.175 354 1HA GLY 46 1HA GLY 46 -6.563 8.527 -13.495 355 2HA GLY 46 2HA GLY 46 -5.772 9.886 -12.616 356 H THR 47 H THR 47 -3.377 9.300 -11.826 357 HA THR 47 HA THR 47 -2.076 8.095 -14.185 358 HB THR 47 HB THR 47 -0.255 9.749 -14.017 359 HG1 THR 47 HG1 THR 47 -0.297 10.581 -12.073 360 1HG2 THR 47 1HG2 THR 47 -3.093 10.950 -14.352 361 2HG2 THR 47 2HG2 THR 47 -2.192 10.014 -15.601 362 3HG2 THR 47 3HG2 THR 47 -1.558 11.601 -15.034 363 H ILE 48 H ILE 48 -0.250 6.986 -14.075 364 HA ILE 48 HA ILE 48 1.018 6.425 -11.444 365 HB ILE 48 HB ILE 48 0.128 4.315 -12.351 366 1HG1 ILE 48 1HG1 ILE 48 3.181 4.628 -12.719 367 2HG1 ILE 48 2HG1 ILE 48 2.284 4.159 -11.236 368 1HG2 ILE 48 1HG2 ILE 48 -0.009 5.147 -14.789 369 2HG2 ILE 48 2HG2 ILE 48 0.566 3.467 -14.566 370 3HG2 ILE 48 3HG2 ILE 48 1.742 4.770 -14.935 371 1HD1 ILE 48 1HD1 ILE 48 3.302 2.163 -12.254 372 2HD1 ILE 48 2HD1 ILE 48 1.516 2.042 -12.485 373 3HD1 ILE 48 3HD1 ILE 48 2.580 2.528 -13.857 374 H ASP 49 H ASP 49 3.044 7.426 -11.388 375 HA ASP 49 HA ASP 49 3.898 8.861 -13.826 376 1HB ASP 49 1HB ASP 49 4.405 9.326 -10.853 377 2HB ASP 49 2HB ASP 49 5.349 10.188 -12.121 378 H VAL 50 H VAL 50 6.446 9.261 -13.954 379 HA VAL 50 HA VAL 50 7.505 6.868 -14.774 380 HB VAL 50 HB VAL 50 9.797 8.094 -14.836 381 1HG1 VAL 50 1HG1 VAL 50 8.957 9.475 -16.765 382 2HG1 VAL 50 2HG1 VAL 50 7.265 9.096 -16.270 383 3HG1 VAL 50 3HG1 VAL 50 8.368 7.774 -16.779 384 1HG2 VAL 50 1HG2 VAL 50 9.236 9.752 -12.987 385 2HG2 VAL 50 2HG2 VAL 50 7.958 10.467 -14.044 386 3HG2 VAL 50 3HG2 VAL 50 9.675 10.541 -14.543 387 H LYS 51 H LYS 51 8.246 8.168 -11.429 388 HA LYS 51 HA LYS 51 10.243 6.236 -10.900 389 1HB LYS 51 1HB LYS 51 9.836 6.525 -8.486 390 2HB LYS 51 2HB LYS 51 10.256 8.006 -9.391 391 1HG LYS 51 1HG LYS 51 7.390 7.304 -8.521 392 2HG LYS 51 2HG LYS 51 8.558 8.245 -7.555 393 1HD LYS 51 1HD LYS 51 8.761 9.904 -9.464 394 2HD LYS 51 2HD LYS 51 7.352 9.108 -10.250 395 1HE LYS 51 1HE LYS 51 7.316 10.331 -7.401 396 2HE LYS 51 2HE LYS 51 6.778 11.184 -8.902 397 1HZ LYS 51 1HZ LYS 51 4.932 10.222 -7.717 398 2HZ LYS 51 2HZ LYS 51 5.125 9.461 -9.221 399 3HZ LYS 51 3HZ LYS 51 5.582 8.654 -7.832 400 H GLU 52 H GLU 52 6.724 6.013 -10.011 401 HA GLU 52 HA GLU 52 6.598 3.341 -9.277 402 1HB GLU 52 1HB GLU 52 4.487 5.026 -10.735 403 2HB GLU 52 2HB GLU 52 4.202 3.445 -9.953 404 1HG GLU 52 1HG GLU 52 3.396 4.978 -8.370 405 2HG GLU 52 2HG GLU 52 5.007 4.490 -7.732 406 H LEU 53 H LEU 53 6.086 4.658 -12.707 407 HA LEU 53 HA LEU 53 5.657 2.133 -13.869 408 1HB LEU 53 1HB LEU 53 5.265 4.463 -14.871 409 2HB LEU 53 2HB LEU 53 7.016 4.511 -15.236 410 HG LEU 53 HG LEU 53 6.703 2.411 -16.656 411 1HD1 LEU 53 1HD1 LEU 53 4.633 1.459 -15.657 412 2HD1 LEU 53 2HD1 LEU 53 4.377 1.809 -17.398 413 3HD1 LEU 53 3HD1 LEU 53 3.694 2.917 -16.155 414 1HD2 LEU 53 1HD2 LEU 53 5.598 3.605 -18.555 415 2HD2 LEU 53 2HD2 LEU 53 6.791 4.646 -17.691 416 3HD2 LEU 53 3HD2 LEU 53 5.021 4.878 -17.419 417 H LYS 54 H LYS 54 8.902 3.731 -13.292 418 HA LYS 54 HA LYS 54 10.500 1.816 -14.626 419 1HB LYS 54 1HB LYS 54 11.067 3.575 -12.196 420 2HB LYS 54 2HB LYS 54 12.325 2.516 -12.926 421 1HG LYS 54 1HG LYS 54 12.319 3.716 -15.008 422 2HG LYS 54 2HG LYS 54 10.797 4.567 -14.602 423 1HD LYS 54 1HD LYS 54 11.951 5.725 -12.696 424 2HD LYS 54 2HD LYS 54 13.514 4.993 -13.217 425 1HE LYS 54 1HE LYS 54 13.346 6.174 -15.424 426 2HE LYS 54 2HE LYS 54 11.715 6.815 -14.975 427 1HZ LYS 54 1HZ LYS 54 13.421 8.442 -14.668 428 2HZ LYS 54 2HZ LYS 54 12.742 8.026 -13.171 429 3HZ LYS 54 3HZ LYS 54 14.278 7.441 -13.602 430 H VAL 55 H VAL 55 9.653 1.834 -11.021 431 HA VAL 55 HA VAL 55 10.712 -0.792 -10.618 432 HB VAL 55 HB VAL 55 9.497 -0.867 -8.485 433 1HG1 VAL 55 1HG1 VAL 55 11.045 1.747 -9.090 434 2HG1 VAL 55 2HG1 VAL 55 11.785 0.135 -8.758 435 3HG1 VAL 55 3HG1 VAL 55 10.832 0.975 -7.480 436 1HG2 VAL 55 1HG2 VAL 55 8.468 1.932 -9.327 437 2HG2 VAL 55 2HG2 VAL 55 7.452 0.454 -9.187 438 3HG2 VAL 55 3HG2 VAL 55 8.243 1.144 -7.728 439 H ALA 56 H ALA 56 7.454 0.202 -11.770 440 HA ALA 56 HA ALA 56 6.176 -2.287 -11.611 441 1HB ALA 56 1HB ALA 56 5.016 -0.149 -12.305 442 2HB ALA 56 2HB ALA 56 4.694 -1.524 -13.421 443 3HB ALA 56 3HB ALA 56 5.865 -0.236 -13.886 444 H MET 57 H MET 57 8.167 -1.030 -14.435 445 HA MET 57 HA MET 57 8.091 -3.524 -15.829 446 1HB MET 57 1HB MET 57 9.839 -1.072 -16.148 447 2HB MET 57 2HB MET 57 10.182 -2.607 -17.026 448 1HG MET 57 1HG MET 57 8.947 -1.204 -18.495 449 2HG MET 57 2HG MET 57 7.996 -2.651 -18.068 450 1HE MET 57 1HE MET 57 5.386 0.128 -18.951 451 2HE MET 57 2HE MET 57 5.948 -1.550 -19.260 452 3HE MET 57 3HE MET 57 7.016 -0.156 -19.647 453 H ARG 58 H ARG 58 10.349 -2.514 -13.148 454 HA ARG 58 HA ARG 58 12.204 -4.654 -13.553 455 1HB ARG 58 1HB ARG 58 11.315 -3.367 -10.912 456 2HB ARG 58 2HB ARG 58 12.720 -4.475 -11.103 457 1HG ARG 58 1HG ARG 58 13.829 -2.864 -12.629 458 2HG ARG 58 2HG ARG 58 12.410 -1.768 -12.522 459 1HD ARG 58 1HD ARG 58 12.791 -1.586 -10.002 460 2HD ARG 58 2HD ARG 58 14.333 -2.528 -10.218 461 HE ARG 58 HE ARG 58 14.360 -0.394 -12.104 462 1HH1 ARG 58 1HH1 ARG 58 14.348 -0.797 -8.540 463 2HH1 ARG 58 2HH1 ARG 58 15.175 0.669 -8.214 464 1HH2 ARG 58 1HH2 ARG 58 15.531 1.613 -11.649 465 2HH2 ARG 58 2HH2 ARG 58 15.869 2.074 -10.031 466 H ALA 59 H ALA 59 9.118 -4.623 -11.455 467 HA ALA 59 HA ALA 59 9.244 -7.424 -10.892 468 1HB ALA 59 1HB ALA 59 6.810 -5.544 -10.933 469 2HB ALA 59 2HB ALA 59 7.887 -5.846 -9.520 470 3HB ALA 59 3HB ALA 59 6.867 -7.178 -10.170 471 H LEU 60 H LEU 60 7.273 -5.672 -13.481 472 HA LEU 60 HA LEU 60 5.994 -8.085 -14.378 473 1HB LEU 60 1HB LEU 60 5.042 -5.813 -14.347 474 2HB LEU 60 2HB LEU 60 6.261 -5.232 -15.518 475 HG LEU 60 HG LEU 60 4.236 -7.425 -16.239 476 1HD1 LEU 60 1HD1 LEU 60 3.839 -4.363 -16.311 477 2HD1 LEU 60 2HD1 LEU 60 2.952 -5.550 -15.279 478 3HD1 LEU 60 3HD1 LEU 60 2.741 -5.569 -17.064 479 1HD2 LEU 60 1HD2 LEU 60 5.705 -5.295 -17.952 480 2HD2 LEU 60 2HD2 LEU 60 5.994 -7.073 -17.997 481 3HD2 LEU 60 3HD2 LEU 60 4.435 -6.422 -18.551 482 H GLY 61 H GLY 61 8.853 -6.226 -15.706 483 1HA GLY 61 1HA GLY 61 8.804 -6.676 -18.287 484 2HA GLY 61 2HA GLY 61 10.304 -6.732 -17.309 485 H PHE 62 H PHE 62 10.147 -9.322 -16.197 486 HA PHE 62 HA PHE 62 10.334 -11.495 -16.533 487 1HB PHE 62 1HB PHE 62 9.042 -11.315 -19.314 488 2HB PHE 62 2HB PHE 62 9.324 -12.810 -18.356 489 HD1 PHE 62 HD1 PHE 62 6.791 -10.889 -19.465 490 HD2 PHE 62 HD2 PHE 62 8.310 -12.337 -15.704 491 HE1 PHE 62 HE1 PHE 62 4.531 -10.741 -18.494 492 HE2 PHE 62 HE2 PHE 62 6.046 -12.173 -14.736 493 HZ PHE 62 HZ PHE 62 4.147 -11.382 -16.126 494 H GLU 63 H GLU 63 12.248 -12.695 -17.030 495 HA GLU 63 HA GLU 63 14.265 -11.437 -18.487 496 1HB GLU 63 1HB GLU 63 14.038 -14.454 -18.016 497 2HB GLU 63 2HB GLU 63 15.540 -13.549 -18.424 498 1HG GLU 63 1HG GLU 63 15.321 -12.242 -16.271 499 2HG GLU 63 2HG GLU 63 13.855 -13.204 -15.846 500 HA PRO 64 HA PRO 64 13.524 -13.854 -22.704 501 1HB PRO 64 1HB PRO 64 10.459 -13.615 -22.694 502 2HB PRO 64 2HB PRO 64 11.481 -14.788 -23.623 503 1HG PRO 64 1HG PRO 64 10.246 -15.603 -21.345 504 2HG PRO 64 2HG PRO 64 12.000 -16.012 -21.566 505 1HD PRO 64 1HD PRO 64 10.796 -13.708 -19.918 506 2HD PRO 64 2HD PRO 64 12.117 -14.877 -19.452 507 H LYS 65 H LYS 65 14.386 -11.395 -22.547 508 HA LYS 65 HA LYS 65 12.792 -9.655 -24.298 509 1HB LYS 65 1HB LYS 65 12.834 -7.745 -22.757 510 2HB LYS 65 2HB LYS 65 11.957 -9.133 -22.043 511 1HG LYS 65 1HG LYS 65 13.986 -9.758 -20.716 512 2HG LYS 65 2HG LYS 65 14.854 -8.311 -21.334 513 1HD LYS 65 1HD LYS 65 12.195 -8.262 -19.788 514 2HD LYS 65 2HD LYS 65 13.808 -8.092 -19.007 515 1HE LYS 65 1HE LYS 65 14.232 -5.957 -20.175 516 2HE LYS 65 2HE LYS 65 12.781 -6.198 -21.225 517 1HZ LYS 65 1HZ LYS 65 12.813 -5.595 -18.321 518 2HZ LYS 65 2HZ LYS 65 12.162 -4.724 -19.653 519 3HZ LYS 65 3HZ LYS 65 11.441 -6.162 -19.164 520 H LYS 66 H LYS 66 13.881 -7.682 -25.075 521 HA LYS 66 HA LYS 66 16.833 -7.696 -24.759 522 1HB LYS 66 1HB LYS 66 16.090 -8.159 -27.121 523 2HB LYS 66 2HB LYS 66 15.237 -6.590 -27.144 524 1HG LYS 66 1HG LYS 66 17.372 -6.405 -28.308 525 2HG LYS 66 2HG LYS 66 17.456 -5.410 -26.814 526 1HD LYS 66 1HD LYS 66 18.763 -7.211 -25.676 527 2HD LYS 66 2HD LYS 66 18.603 -8.256 -27.134 528 1HE LYS 66 1HE LYS 66 19.930 -6.585 -28.477 529 2HE LYS 66 2HE LYS 66 20.078 -5.529 -27.013 530 1HZ LYS 66 1HZ LYS 66 21.107 -8.309 -27.279 531 2HZ LYS 66 2HZ LYS 66 22.019 -6.881 -27.356 532 3HZ LYS 66 3HZ LYS 66 21.246 -7.319 -25.909 533 H GLU 67 H GLU 67 14.465 -5.071 -25.888 534 HA GLU 67 HA GLU 67 15.032 -3.536 -23.497 535 1HB GLU 67 1HB GLU 67 16.982 -3.081 -25.009 536 2HB GLU 67 2HB GLU 67 15.871 -2.373 -26.216 537 1HG GLU 67 1HG GLU 67 16.032 -1.354 -23.292 538 2HG GLU 67 2HG GLU 67 17.217 -0.821 -24.538 539 H GLU 68 H GLU 68 13.073 -2.772 -22.849 540 HA GLU 68 HA GLU 68 11.358 -1.399 -24.801 541 1HB GLU 68 1HB GLU 68 9.431 -2.213 -23.029 542 2HB GLU 68 2HB GLU 68 9.816 -2.996 -24.581 543 1HG GLU 68 1HG GLU 68 9.534 -4.677 -22.875 544 2HG GLU 68 2HG GLU 68 11.221 -4.711 -23.481 545 H ILE 69 H ILE 69 12.228 -1.606 -21.230 546 HA ILE 69 HA ILE 69 10.690 0.652 -20.566 547 HB ILE 69 HB ILE 69 11.258 0.365 -18.426 548 1HG1 ILE 69 1HG1 ILE 69 13.669 -0.583 -17.749 549 2HG1 ILE 69 2HG1 ILE 69 14.210 0.231 -19.234 550 1HG2 ILE 69 1HG2 ILE 69 12.667 -2.144 -19.523 551 2HG2 ILE 69 2HG2 ILE 69 10.866 -1.942 -19.408 552 3HG2 ILE 69 3HG2 ILE 69 11.901 -1.942 -17.932 553 1HD1 ILE 69 1HD1 ILE 69 14.453 1.640 -17.147 554 2HD1 ILE 69 2HD1 ILE 69 13.297 2.428 -18.274 555 3HD1 ILE 69 3HD1 ILE 69 12.679 1.516 -16.849 556 H LYS 70 H LYS 70 14.081 0.717 -21.873 557 HA LYS 70 HA LYS 70 14.564 3.445 -21.122 558 1HB LYS 70 1HB LYS 70 16.450 1.904 -21.841 559 2HB LYS 70 2HB LYS 70 15.843 2.068 -23.523 560 1HG LYS 70 1HG LYS 70 16.075 4.599 -23.282 561 2HG LYS 70 2HG LYS 70 16.832 4.330 -21.674 562 1HD LYS 70 1HD LYS 70 18.671 3.025 -22.792 563 2HD LYS 70 2HD LYS 70 17.897 3.303 -24.389 564 1HE LYS 70 1HE LYS 70 19.022 5.487 -22.490 565 2HE LYS 70 2HE LYS 70 19.775 4.912 -24.032 566 1HZ LYS 70 1HZ LYS 70 18.602 6.962 -24.329 567 2HZ LYS 70 2HZ LYS 70 17.826 5.734 -25.206 568 3HZ LYS 70 3HZ LYS 70 17.151 6.301 -23.754 569 H LYS 71 H LYS 71 13.153 1.888 -24.112 570 HA LYS 71 HA LYS 71 12.500 4.249 -25.522 571 1HB LYS 71 1HB LYS 71 10.818 1.676 -25.384 572 2HB LYS 71 2HB LYS 71 10.656 2.975 -26.616 573 1HG LYS 71 1HG LYS 71 12.952 2.489 -27.449 574 2HG LYS 71 2HG LYS 71 13.140 1.227 -26.182 575 1HD LYS 71 1HD LYS 71 11.219 -0.057 -27.149 576 2HD LYS 71 2HD LYS 71 11.012 1.209 -28.405 577 1HE LYS 71 1HE LYS 71 12.214 -0.715 -29.372 578 2HE LYS 71 2HE LYS 71 13.325 0.712 -29.297 579 1HZ LYS 71 1HZ LYS 71 13.249 -1.544 -27.337 580 2HZ LYS 71 2HZ LYS 71 14.378 -1.322 -28.586 581 3HZ LYS 71 3HZ LYS 71 14.313 -0.227 -27.289 582 H MET 72 H MET 72 10.440 2.472 -23.032 583 HA MET 72 HA MET 72 8.225 4.147 -23.229 584 1HB MET 72 1HB MET 72 8.488 1.867 -22.012 585 2HB MET 72 2HB MET 72 9.105 2.795 -20.616 586 1HG MET 72 1HG MET 72 6.730 2.323 -20.304 587 2HG MET 72 2HG MET 72 6.951 4.081 -20.535 588 1HE MET 72 1HE MET 72 5.602 0.683 -21.918 589 2HE MET 72 2HE MET 72 5.061 1.059 -23.588 590 3HE MET 72 3HE MET 72 6.812 1.008 -23.209 591 H ILE 73 H ILE 73 10.888 4.494 -20.672 592 HA ILE 73 HA ILE 73 9.815 6.900 -19.606 593 HB ILE 73 HB ILE 73 12.698 5.944 -19.496 594 1HG1 ILE 73 1HG1 ILE 73 11.208 4.162 -18.675 595 2HG1 ILE 73 2HG1 ILE 73 12.109 4.916 -17.337 596 1HG2 ILE 73 1HG2 ILE 73 11.108 7.947 -17.746 597 2HG2 ILE 73 2HG2 ILE 73 12.488 8.334 -18.835 598 3HG2 ILE 73 3HG2 ILE 73 12.763 7.325 -17.384 599 1HD1 ILE 73 1HD1 ILE 73 10.051 6.198 -16.657 600 2HD1 ILE 73 2HD1 ILE 73 9.139 5.463 -18.029 601 3HD1 ILE 73 3HD1 ILE 73 9.751 4.426 -16.699 602 H SER 74 H SER 74 12.396 6.476 -22.164 603 HA SER 74 HA SER 74 12.895 9.228 -22.556 604 1HB SER 74 1HB SER 74 13.130 7.029 -24.685 605 2HB SER 74 2HB SER 74 13.956 8.634 -24.684 606 HG SER 74 HG SER 74 14.337 6.374 -23.059 607 H GLU 75 H GLU 75 10.246 7.229 -24.020 608 HA GLU 75 HA GLU 75 9.553 9.207 -26.007 609 1HB GLU 75 1HB GLU 75 9.262 6.737 -26.281 610 2HB GLU 75 2HB GLU 75 8.038 6.740 -24.972 611 1HG GLU 75 1HG GLU 75 6.502 8.118 -26.394 612 2HG GLU 75 2HG GLU 75 7.787 8.262 -27.659 613 H ILE 76 H ILE 76 8.310 8.218 -22.772 614 HA ILE 76 HA ILE 76 6.122 10.044 -22.860 615 HB ILE 76 HB ILE 76 5.318 9.322 -20.824 616 1HG1 ILE 76 1HG1 ILE 76 8.024 7.936 -20.413 617 2HG1 ILE 76 2HG1 ILE 76 7.263 9.197 -19.413 618 1HG2 ILE 76 1HG2 ILE 76 6.336 6.922 -22.485 619 2HG2 ILE 76 2HG2 ILE 76 4.971 8.007 -22.924 620 3HG2 ILE 76 3HG2 ILE 76 4.870 6.995 -21.449 621 1HD1 ILE 76 1HD1 ILE 76 6.239 6.301 -19.742 622 2HD1 ILE 76 2HD1 ILE 76 7.032 7.010 -18.297 623 3HD1 ILE 76 3HD1 ILE 76 5.404 7.598 -18.801 624 H ASP 77 H ASP 77 9.395 10.594 -21.747 625 HA ASP 77 HA ASP 77 8.529 12.694 -19.848 626 1HB ASP 77 1HB ASP 77 10.109 10.696 -19.243 627 2HB ASP 77 2HB ASP 77 11.378 11.565 -20.160 628 H LYS 78 H LYS 78 8.161 14.550 -21.214 629 HA LYS 78 HA LYS 78 10.435 15.527 -22.851 630 1HB LYS 78 1HB LYS 78 7.571 15.027 -23.815 631 2HB LYS 78 2HB LYS 78 8.705 16.108 -24.693 632 1HG LYS 78 1HG LYS 78 10.251 14.321 -25.159 633 2HG LYS 78 2HG LYS 78 9.379 13.172 -24.088 634 1HD LYS 78 1HD LYS 78 7.425 13.166 -25.502 635 2HD LYS 78 2HD LYS 78 8.115 14.416 -26.600 636 1HE LYS 78 1HE LYS 78 9.776 12.901 -27.495 637 2HE LYS 78 2HE LYS 78 9.592 11.753 -26.108 638 1HZ LYS 78 1HZ LYS 78 7.475 11.144 -26.841 639 2HZ LYS 78 2HZ LYS 78 7.455 12.297 -28.098 640 3HZ LYS 78 3HZ LYS 78 8.544 10.991 -28.154 641 H GLU 79 H GLU 79 7.043 16.494 -21.813 642 HA GLU 79 HA GLU 79 7.718 19.277 -22.361 643 1HB GLU 79 1HB GLU 79 5.064 18.157 -21.286 644 2HB GLU 79 2HB GLU 79 5.350 19.751 -22.062 645 1HG GLU 79 1HG GLU 79 5.503 16.965 -23.409 646 2HG GLU 79 2HG GLU 79 4.211 18.200 -23.608 647 H GLY 80 H GLY 80 6.275 17.528 -19.497 648 1HA GLY 80 1HA GLY 80 7.952 19.171 -17.722 649 2HA GLY 80 2HA GLY 80 6.193 18.990 -17.417 650 H THR 81 H THR 81 8.456 16.421 -18.519 651 HA THR 81 HA THR 81 9.070 14.518 -17.760 652 HB THR 81 HB THR 81 9.378 13.765 -15.514 653 HG1 THR 81 HG1 THR 81 7.839 16.042 -14.887 654 1HG2 THR 81 1HG2 THR 81 10.925 15.558 -14.771 655 2HG2 THR 81 2HG2 THR 81 11.018 15.358 -16.556 656 3HG2 THR 81 3HG2 THR 81 10.125 16.756 -15.852 657 H GLY 82 H GLY 82 8.312 12.345 -17.222 658 1HA GLY 82 1HA GLY 82 5.793 12.057 -18.456 659 2HA GLY 82 2HA GLY 82 6.892 10.782 -17.860 660 H LYS 83 H LYS 83 3.882 11.911 -17.782 661 HA LYS 83 HA LYS 83 3.213 10.331 -15.403 662 1HB LYS 83 1HB LYS 83 1.081 11.549 -15.070 663 2HB LYS 83 2HB LYS 83 2.536 12.388 -14.513 664 1HG LYS 83 1HG LYS 83 1.124 12.999 -17.197 665 2HG LYS 83 2HG LYS 83 0.708 13.781 -15.639 666 1HD LYS 83 1HD LYS 83 3.393 14.004 -17.109 667 2HD LYS 83 2HD LYS 83 2.118 15.254 -16.967 668 1HE LYS 83 1HE LYS 83 2.487 15.393 -14.483 669 2HE LYS 83 2HE LYS 83 3.752 14.102 -14.589 670 1HZ LYS 83 1HZ LYS 83 4.753 16.233 -14.553 671 2HZ LYS 83 2HZ LYS 83 5.004 15.504 -16.062 672 3HZ LYS 83 3HZ LYS 83 3.867 16.760 -15.902 673 H MET 84 H MET 84 1.960 8.612 -15.851 674 HA MET 84 HA MET 84 0.862 8.379 -18.588 675 1HB MET 84 1HB MET 84 2.749 6.881 -17.994 676 2HB MET 84 2HB MET 84 1.797 6.216 -16.632 677 1HG MET 84 1HG MET 84 0.146 5.248 -18.143 678 2HG MET 84 2HG MET 84 0.883 6.065 -19.559 679 1HE MET 84 1HE MET 84 3.748 5.860 -19.723 680 2HE MET 84 2HE MET 84 4.023 4.249 -20.457 681 3HE MET 84 3HE MET 84 2.630 5.245 -20.991 682 H ASN 85 H ASN 85 -1.402 8.285 -18.793 683 HA ASN 85 HA ASN 85 -2.919 7.385 -16.410 684 1HB ASN 85 1HB ASN 85 -4.792 8.474 -16.974 685 2HB ASN 85 2HB ASN 85 -3.602 9.600 -17.686 686 1HD2 ASN 85 1HD2 ASN 85 -3.233 9.257 -20.212 687 2HD2 ASN 85 2HD2 ASN 85 -4.688 8.958 -21.098 688 H PHE 86 H PHE 86 -4.982 5.882 -17.126 689 HA PHE 86 HA PHE 86 -3.761 3.497 -18.096 690 1HB PHE 86 1HB PHE 86 -5.731 3.664 -16.475 691 2HB PHE 86 2HB PHE 86 -6.784 4.108 -17.860 692 HD1 PHE 86 HD1 PHE 86 -7.391 2.381 -19.547 693 HD2 PHE 86 HD2 PHE 86 -4.902 1.413 -16.186 694 HE1 PHE 86 HE1 PHE 86 -7.773 -0.027 -19.956 695 HE2 PHE 86 HE2 PHE 86 -5.289 -0.993 -16.585 696 HZ PHE 86 HZ PHE 86 -6.726 -1.722 -18.476 697 H GLY 87 H GLY 87 -5.876 5.908 -19.907 698 1HA GLY 87 1HA GLY 87 -6.142 4.378 -22.291 699 2HA GLY 87 2HA GLY 87 -6.168 6.173 -22.118 700 H ASP 88 H ASP 88 -3.485 6.692 -21.261 701 HA ASP 88 HA ASP 88 -1.833 6.436 -23.532 702 1HB ASP 88 1HB ASP 88 -0.861 6.696 -20.613 703 2HB ASP 88 2HB ASP 88 0.109 7.027 -22.094 704 H PHE 89 H PHE 89 -1.709 4.527 -20.375 705 HA PHE 89 HA PHE 89 0.340 2.820 -21.099 706 1HB PHE 89 1HB PHE 89 -0.746 3.138 -18.773 707 2HB PHE 89 2HB PHE 89 -2.026 1.997 -19.298 708 HD1 PHE 89 HD1 PHE 89 1.697 1.585 -20.139 709 HD2 PHE 89 HD2 PHE 89 -1.594 0.418 -17.616 710 HE1 PHE 89 HE1 PHE 89 3.085 -0.151 -19.132 711 HE2 PHE 89 HE2 PHE 89 -0.171 -1.327 -16.599 712 HZ PHE 89 HZ PHE 89 2.176 -1.614 -17.352 713 H LEU 90 H LEU 90 -3.215 2.133 -21.530 714 HA LEU 90 HA LEU 90 -2.901 -0.436 -22.617 715 1HB LEU 90 1HB LEU 90 -5.032 0.814 -21.735 716 2HB LEU 90 2HB LEU 90 -5.152 1.509 -23.376 717 HG LEU 90 HG LEU 90 -5.167 -0.945 -24.245 718 1HD1 LEU 90 1HD1 LEU 90 -5.596 -1.501 -21.234 719 2HD1 LEU 90 2HD1 LEU 90 -5.911 -2.682 -22.546 720 3HD1 LEU 90 3HD1 LEU 90 -4.238 -2.104 -22.258 721 1HD2 LEU 90 1HD2 LEU 90 -7.216 0.460 -24.138 722 2HD2 LEU 90 2HD2 LEU 90 -7.586 -1.258 -23.739 723 3HD2 LEU 90 3HD2 LEU 90 -7.483 -0.028 -22.422 724 H THR 91 H THR 91 -3.277 2.747 -24.497 725 HA THR 91 HA THR 91 -2.977 1.515 -27.026 726 HB THR 91 HB THR 91 -2.503 3.762 -27.948 727 HG1 THR 91 HG1 THR 91 -1.457 4.739 -26.269 728 1HG2 THR 91 1HG2 THR 91 -4.759 4.656 -27.387 729 2HG2 THR 91 2HG2 THR 91 -4.834 2.869 -27.593 730 3HG2 THR 91 3HG2 THR 91 -4.865 3.590 -25.940 731 H VAL 92 H VAL 92 -0.377 3.194 -25.012 732 HA VAL 92 HA VAL 92 1.595 2.675 -26.991 733 HB VAL 92 HB VAL 92 1.637 4.542 -25.312 734 1HG1 VAL 92 1HG1 VAL 92 2.712 4.219 -23.158 735 2HG1 VAL 92 2HG1 VAL 92 3.046 2.486 -23.487 736 3HG1 VAL 92 3HG1 VAL 92 1.360 3.030 -23.227 737 1HG2 VAL 92 1HG2 VAL 92 3.467 3.997 -26.932 738 2HG2 VAL 92 2HG2 VAL 92 4.117 4.626 -25.375 739 3HG2 VAL 92 3HG2 VAL 92 4.194 2.863 -25.730 740 H MET 93 H MET 93 0.921 0.791 -23.879 741 HA MET 93 HA MET 93 3.092 -0.996 -24.306 742 1HB MET 93 1HB MET 93 1.911 -0.582 -22.111 743 2HB MET 93 2HB MET 93 0.563 -1.603 -22.705 744 1HG MET 93 1HG MET 93 2.113 -3.556 -22.884 745 2HG MET 93 2HG MET 93 3.506 -2.506 -22.471 746 1HE MET 93 1HE MET 93 4.363 -3.997 -20.626 747 2HE MET 93 2HE MET 93 3.063 -5.211 -20.915 748 3HE MET 93 3HE MET 93 3.401 -4.629 -19.251 749 H THR 94 H THR 94 -0.479 -1.385 -25.394 750 HA THR 94 HA THR 94 0.026 -3.944 -26.499 751 HB THR 94 HB THR 94 -1.913 -3.824 -27.872 752 HG1 THR 94 HG1 THR 94 -3.075 -2.125 -28.117 753 1HG2 THR 94 1HG2 THR 94 -3.561 -3.597 -26.014 754 2HG2 THR 94 2HG2 THR 94 -2.076 -4.439 -25.447 755 3HG2 THR 94 3HG2 THR 94 -2.354 -2.719 -25.006 756 H GLN 95 H GLN 95 0.129 -0.695 -28.272 757 HA GLN 95 HA GLN 95 1.161 -1.683 -30.668 758 1HB GLN 95 1HB GLN 95 0.316 0.652 -30.153 759 2HB GLN 95 2HB GLN 95 1.869 0.985 -29.322 760 1HG GLN 95 1HG GLN 95 3.080 0.607 -31.532 761 2HG GLN 95 2HG GLN 95 1.487 0.275 -32.317 762 1HE2 GLN 95 1HE2 GLN 95 2.398 2.201 -33.657 763 2HE2 GLN 95 2HE2 GLN 95 1.972 3.798 -33.127 764 H LYS 96 H LYS 96 3.173 -0.869 -27.701 765 HA LYS 96 HA LYS 96 5.663 -1.286 -29.048 766 1HB LYS 96 1HB LYS 96 5.017 -0.145 -26.658 767 2HB LYS 96 2HB LYS 96 5.464 -1.750 -26.051 768 1HG LYS 96 1HG LYS 96 7.447 -0.435 -25.899 769 2HG LYS 96 2HG LYS 96 7.697 -1.462 -27.352 770 1HD LYS 96 1HD LYS 96 8.473 0.769 -27.870 771 2HD LYS 96 2HD LYS 96 6.949 0.514 -28.788 772 1HE LYS 96 1HE LYS 96 5.707 1.843 -26.971 773 2HE LYS 96 2HE LYS 96 7.298 2.148 -26.170 774 1HZ LYS 96 1HZ LYS 96 7.993 3.222 -28.281 775 2HZ LYS 96 2HZ LYS 96 6.713 3.996 -27.494 776 3HZ LYS 96 3HZ LYS 96 6.412 3.046 -28.865 777 H MET 97 H MET 97 3.788 -3.573 -26.802 778 HA MET 97 HA MET 97 5.799 -5.624 -27.223 779 1HB MET 97 1HB MET 97 3.204 -5.698 -25.642 780 2HB MET 97 2HB MET 97 4.357 -7.073 -25.783 781 1HG MET 97 1HG MET 97 6.188 -5.525 -24.928 782 2HG MET 97 2HG MET 97 4.928 -4.301 -24.571 783 1HE MET 97 1HE MET 97 6.282 -5.860 -21.144 784 2HE MET 97 2HE MET 97 7.199 -5.824 -22.687 785 3HE MET 97 3HE MET 97 6.217 -4.399 -22.191 786 H SER 98 H SER 98 2.170 -5.683 -28.029 787 HA SER 98 HA SER 98 2.623 -7.992 -29.730 788 1HB SER 98 1HB SER 98 0.146 -7.821 -30.235 789 2HB SER 98 2HB SER 98 0.566 -8.084 -28.501 790 HG SER 98 HG SER 98 0.215 -5.524 -29.616 Start of MODEL 17 1 1H MET 1 1H MET 1 7.391 -17.999 -63.481 2 2H MET 1 2H MET 1 5.807 -18.226 -64.070 3 3H MET 1 3H MET 1 6.070 -17.870 -62.426 4 HA MET 1 HA MET 1 6.798 -16.059 -64.616 5 1HB MET 1 1HB MET 1 4.284 -15.977 -62.826 6 2HB MET 1 2HB MET 1 4.822 -14.654 -63.906 7 1HG MET 1 1HG MET 1 3.121 -15.701 -65.090 8 2HG MET 1 2HG MET 1 4.631 -16.227 -65.886 9 1HE MET 1 1HE MET 1 3.317 -17.980 -67.218 10 2HE MET 1 2HE MET 1 1.800 -17.415 -66.435 11 3HE MET 1 3HE MET 1 2.164 -19.170 -66.523 12 H ALA 2 H ALA 2 7.852 -14.086 -63.891 13 HA ALA 2 HA ALA 2 8.781 -14.072 -61.138 14 1HB ALA 2 1HB ALA 2 10.154 -12.111 -61.809 15 2HB ALA 2 2HB ALA 2 10.378 -13.485 -62.948 16 3HB ALA 2 3HB ALA 2 9.337 -12.090 -63.417 17 H SER 3 H SER 3 7.165 -13.394 -59.646 18 HA SER 3 HA SER 3 6.491 -10.588 -59.627 19 1HB SER 3 1HB SER 3 4.235 -12.676 -59.946 20 2HB SER 3 2HB SER 3 3.958 -11.012 -59.296 21 HG SER 3 HG SER 3 5.323 -11.339 -61.718 22 H ASN 4 H ASN 4 4.951 -13.557 -58.024 23 HA ASN 4 HA ASN 4 5.358 -12.253 -55.434 24 1HB ASN 4 1HB ASN 4 3.915 -14.855 -56.206 25 2HB ASN 4 2HB ASN 4 4.145 -14.321 -54.504 26 1HD2 ASN 4 1HD2 ASN 4 2.382 -13.600 -57.538 27 2HD2 ASN 4 2HD2 ASN 4 1.315 -12.431 -56.843 28 H PHE 5 H PHE 5 7.856 -12.468 -55.678 29 HA PHE 5 HA PHE 5 8.882 -15.097 -54.843 30 1HB PHE 5 1HB PHE 5 10.157 -13.554 -56.463 31 2HB PHE 5 2HB PHE 5 10.446 -12.446 -55.082 32 HD1 PHE 5 HD1 PHE 5 10.969 -15.946 -56.350 33 HD2 PHE 5 HD2 PHE 5 12.240 -12.936 -53.553 34 HE1 PHE 5 HE1 PHE 5 12.972 -17.291 -55.810 35 HE2 PHE 5 HE2 PHE 5 14.236 -14.287 -53.008 36 HZ PHE 5 HZ PHE 5 14.617 -16.459 -54.144 37 H LYS 6 H LYS 6 7.552 -15.164 -52.814 38 HA LYS 6 HA LYS 6 8.481 -13.347 -50.632 39 1HB LYS 6 1HB LYS 6 5.668 -14.287 -51.376 40 2HB LYS 6 2HB LYS 6 6.046 -13.592 -49.759 41 1HG LYS 6 1HG LYS 6 6.339 -11.434 -50.555 42 2HG LYS 6 2HG LYS 6 6.953 -11.972 -52.148 43 1HD LYS 6 1HD LYS 6 4.844 -10.824 -52.424 44 2HD LYS 6 2HD LYS 6 4.726 -12.541 -52.942 45 1HE LYS 6 1HE LYS 6 3.473 -13.134 -50.874 46 2HE LYS 6 2HE LYS 6 3.666 -11.449 -50.239 47 1HZ LYS 6 1HZ LYS 6 2.323 -10.623 -51.953 48 2HZ LYS 6 2HZ LYS 6 2.349 -12.070 -52.836 49 3HZ LYS 6 3HZ LYS 6 1.515 -11.989 -51.350 50 H LYS 7 H LYS 7 9.976 -14.953 -49.803 51 HA LYS 7 HA LYS 7 8.929 -17.632 -49.179 52 1HB LYS 7 1HB LYS 7 11.759 -16.480 -48.964 53 2HB LYS 7 2HB LYS 7 11.295 -18.164 -48.529 54 1HG LYS 7 1HG LYS 7 10.516 -18.561 -50.871 55 2HG LYS 7 2HG LYS 7 11.063 -16.912 -51.337 56 1HD LYS 7 1HD LYS 7 13.399 -17.477 -50.755 57 2HD LYS 7 2HD LYS 7 12.883 -19.083 -50.121 58 1HE LYS 7 1HE LYS 7 12.140 -19.782 -52.415 59 2HE LYS 7 2HE LYS 7 12.637 -18.172 -53.073 60 1HZ LYS 7 1HZ LYS 7 14.897 -18.662 -52.391 61 2HZ LYS 7 2HZ LYS 7 14.296 -19.854 -53.438 62 3HZ LYS 7 3HZ LYS 7 14.424 -20.172 -51.777 63 H ALA 8 H ALA 8 7.492 -17.063 -47.377 64 HA ALA 8 HA ALA 8 8.601 -15.801 -45.015 65 1HB ALA 8 1HB ALA 8 6.350 -16.089 -44.011 66 2HB ALA 8 2HB ALA 8 6.237 -15.356 -45.651 67 3HB ALA 8 3HB ALA 8 5.852 -17.101 -45.419 68 H ASN 9 H ASN 9 9.259 -16.757 -43.076 69 HA ASN 9 HA ASN 9 9.838 -18.224 -41.561 70 1HB ASN 9 1HB ASN 9 7.348 -18.688 -41.481 71 2HB ASN 9 2HB ASN 9 7.644 -20.156 -42.466 72 1HD2 ASN 9 1HD2 ASN 9 8.957 -21.901 -41.476 73 2HD2 ASN 9 2HD2 ASN 9 9.073 -22.046 -39.750 74 H MET 10 H MET 10 11.960 -18.511 -42.645 75 HA MET 10 HA MET 10 12.367 -20.879 -44.291 76 1HB MET 10 1HB MET 10 14.394 -18.867 -43.174 77 2HB MET 10 2HB MET 10 14.762 -20.185 -44.344 78 1HG MET 10 1HG MET 10 13.190 -19.166 -45.994 79 2HG MET 10 2HG MET 10 12.816 -17.846 -44.845 80 1HE MET 10 1HE MET 10 14.794 -16.018 -47.638 81 2HE MET 10 2HE MET 10 13.734 -17.453 -47.848 82 3HE MET 10 3HE MET 10 13.275 -16.158 -46.687 83 H ALA 11 H ALA 11 11.893 -22.684 -42.850 84 HA ALA 11 HA ALA 11 13.048 -22.760 -40.211 85 1HB ALA 11 1HB ALA 11 11.429 -24.904 -41.687 86 2HB ALA 11 2HB ALA 11 11.829 -24.900 -39.927 87 3HB ALA 11 3HB ALA 11 10.760 -23.625 -40.610 88 H SER 12 H SER 12 15.420 -22.787 -40.903 89 HA SER 12 HA SER 12 16.471 -25.315 -41.857 90 1HB SER 12 1HB SER 12 17.499 -23.001 -42.271 91 2HB SER 12 2HB SER 12 18.087 -23.042 -40.571 92 HG SER 12 HG SER 12 19.210 -24.948 -41.130 93 H SER 13 H SER 13 16.136 -23.897 -38.490 94 HA SER 13 HA SER 13 17.699 -26.080 -37.334 95 1HB SER 13 1HB SER 13 17.060 -24.914 -35.125 96 2HB SER 13 2HB SER 13 18.064 -23.957 -36.276 97 HG SER 13 HG SER 13 15.254 -23.810 -35.960 98 H SER 14 H SER 14 16.677 -28.102 -37.061 99 HA SER 14 HA SER 14 13.820 -28.308 -36.892 100 1HB SER 14 1HB SER 14 15.325 -30.041 -37.974 101 2HB SER 14 2HB SER 14 15.850 -30.539 -36.326 102 HG SER 14 HG SER 14 14.136 -31.781 -37.157 103 H GLN 15 H GLN 15 13.000 -27.258 -35.025 104 HA GLN 15 HA GLN 15 13.617 -28.435 -32.389 105 1HB GLN 15 1HB GLN 15 13.741 -25.445 -33.109 106 2HB GLN 15 2HB GLN 15 13.626 -26.031 -31.418 107 1HG GLN 15 1HG GLN 15 15.970 -26.735 -33.309 108 2HG GLN 15 2HG GLN 15 15.942 -25.335 -32.183 109 1HE2 GLN 15 1HE2 GLN 15 16.075 -28.909 -32.373 110 2HE2 GLN 15 2HE2 GLN 15 16.536 -29.162 -30.719 111 H ARG 16 H ARG 16 11.550 -29.131 -31.695 112 HA ARG 16 HA ARG 16 9.185 -27.478 -32.225 113 1HB ARG 16 1HB ARG 16 9.097 -30.010 -32.218 114 2HB ARG 16 2HB ARG 16 9.422 -29.972 -30.456 115 1HG ARG 16 1HG ARG 16 7.288 -28.657 -30.131 116 2HG ARG 16 2HG ARG 16 7.001 -28.719 -31.911 117 1HD ARG 16 1HD ARG 16 6.867 -31.231 -31.807 118 2HD ARG 16 2HD ARG 16 7.187 -31.170 -30.014 119 HE ARG 16 HE ARG 16 4.966 -29.458 -30.591 120 1HH1 ARG 16 1HH1 ARG 16 5.788 -32.948 -30.639 121 2HH1 ARG 16 2HH1 ARG 16 4.189 -33.485 -30.325 122 1HH2 ARG 16 1HH2 ARG 16 2.764 -30.206 -30.162 123 2HH2 ARG 16 2HH2 ARG 16 2.426 -31.881 -30.050 124 H LYS 17 H LYS 17 10.316 -25.564 -31.117 125 HA LYS 17 HA LYS 17 9.748 -25.329 -28.251 126 1HB LYS 17 1HB LYS 17 12.023 -26.450 -28.423 127 2HB LYS 17 2HB LYS 17 12.564 -25.127 -29.496 128 1HG LYS 17 1HG LYS 17 12.262 -23.513 -27.504 129 2HG LYS 17 2HG LYS 17 11.821 -24.947 -26.508 130 1HD LYS 17 1HD LYS 17 14.151 -24.569 -26.084 131 2HD LYS 17 2HD LYS 17 14.063 -25.984 -27.193 132 1HE LYS 17 1HE LYS 17 14.489 -24.233 -29.143 133 2HE LYS 17 2HE LYS 17 14.905 -23.072 -27.824 134 1HZ LYS 17 1HZ LYS 17 16.521 -24.874 -27.084 135 2HZ LYS 17 2HZ LYS 17 16.873 -24.043 -28.524 136 3HZ LYS 17 3HZ LYS 17 16.224 -25.606 -28.601 137 H ARG 18 H ARG 18 8.284 -23.539 -29.007 138 HA ARG 18 HA ARG 18 9.625 -21.130 -29.961 139 1HB ARG 18 1HB ARG 18 9.087 -22.471 -32.039 140 2HB ARG 18 2HB ARG 18 7.351 -22.395 -31.595 141 1HG ARG 18 1HG ARG 18 7.398 -19.906 -31.821 142 2HG ARG 18 2HG ARG 18 9.179 -19.961 -32.106 143 1HD ARG 18 1HD ARG 18 8.795 -21.292 -34.213 144 2HD ARG 18 2HD ARG 18 6.998 -21.166 -33.956 145 HE ARG 18 HE ARG 18 7.981 -18.523 -33.833 146 1HH1 ARG 18 1HH1 ARG 18 7.993 -21.170 -36.269 147 2HH1 ARG 18 2HH1 ARG 18 8.097 -20.103 -37.627 148 1HH2 ARG 18 1HH2 ARG 18 8.061 -17.092 -35.732 149 2HH2 ARG 18 2HH2 ARG 18 8.097 -17.775 -37.309 150 H MET 19 H MET 19 8.666 -19.271 -29.097 151 HA MET 19 HA MET 19 5.853 -19.462 -28.137 152 1HB MET 19 1HB MET 19 7.491 -18.873 -26.333 153 2HB MET 19 2HB MET 19 8.009 -17.449 -27.292 154 1HG MET 19 1HG MET 19 5.681 -16.516 -27.145 155 2HG MET 19 2HG MET 19 5.156 -17.968 -26.236 156 1HE MET 19 1HE MET 19 4.688 -14.949 -25.430 157 2HE MET 19 2HE MET 19 4.092 -16.369 -24.502 158 3HE MET 19 3HE MET 19 4.954 -15.040 -23.657 159 H SER 20 H SER 20 4.692 -18.886 -30.058 160 HA SER 20 HA SER 20 5.592 -16.573 -31.627 161 1HB SER 20 1HB SER 20 3.703 -17.329 -33.200 162 2HB SER 20 2HB SER 20 5.109 -18.436 -33.011 163 HG SER 20 HG SER 20 2.619 -18.612 -31.683 164 HA PRO 21 HA PRO 21 2.270 -14.531 -29.134 165 1HB PRO 21 1HB PRO 21 2.873 -11.832 -29.592 166 2HB PRO 21 2HB PRO 21 3.839 -12.889 -28.494 167 1HG PRO 21 1HG PRO 21 4.402 -12.255 -31.444 168 2HG PRO 21 2HG PRO 21 5.539 -12.110 -30.038 169 1HD PRO 21 1HD PRO 21 5.508 -14.346 -31.675 170 2HD PRO 21 2HD PRO 21 5.758 -14.518 -29.874 171 H LYS 22 H LYS 22 0.225 -13.511 -29.459 172 HA LYS 22 HA LYS 22 -0.562 -12.896 -32.256 173 1HB LYS 22 1HB LYS 22 -2.329 -13.536 -29.824 174 2HB LYS 22 2HB LYS 22 -2.914 -13.238 -31.497 175 1HG LYS 22 1HG LYS 22 -1.725 -15.291 -32.288 176 2HG LYS 22 2HG LYS 22 -1.116 -15.589 -30.620 177 1HD LYS 22 1HD LYS 22 -3.470 -15.738 -29.783 178 2HD LYS 22 2HD LYS 22 -4.076 -15.509 -31.464 179 1HE LYS 22 1HE LYS 22 -2.931 -17.641 -32.174 180 2HE LYS 22 2HE LYS 22 -2.289 -17.856 -30.494 181 1HZ LYS 22 1HZ LYS 22 -4.555 -17.978 -29.702 182 2HZ LYS 22 2HZ LYS 22 -5.159 -17.782 -31.276 183 3HZ LYS 22 3HZ LYS 22 -4.252 -19.160 -30.880 184 HA PRO 23 HA PRO 23 -1.461 -8.557 -30.978 185 1HB PRO 23 1HB PRO 23 -4.294 -9.127 -32.019 186 2HB PRO 23 2HB PRO 23 -3.316 -7.616 -32.249 187 1HG PRO 23 1HG PRO 23 -3.416 -9.446 -34.261 188 2HG PRO 23 2HG PRO 23 -1.807 -8.759 -33.783 189 1HD PRO 23 1HD PRO 23 -2.997 -11.483 -33.017 190 2HD PRO 23 2HD PRO 23 -1.290 -11.066 -33.517 191 H GLU 24 H GLU 24 -2.055 -7.472 -29.157 192 HA GLU 24 HA GLU 24 -2.777 -7.013 -27.190 193 1HB GLU 24 1HB GLU 24 -5.185 -7.446 -27.881 194 2HB GLU 24 2HB GLU 24 -5.023 -9.041 -27.064 195 1HG GLU 24 1HG GLU 24 -4.363 -7.802 -24.920 196 2HG GLU 24 2HG GLU 24 -4.584 -6.244 -25.795 197 H LEU 25 H LEU 25 -1.741 -7.446 -25.316 198 HA LEU 25 HA LEU 25 -0.289 -9.786 -24.702 199 1HB LEU 25 1HB LEU 25 -1.405 -7.356 -23.222 200 2HB LEU 25 2HB LEU 25 -0.648 -8.628 -22.255 201 HG LEU 25 HG LEU 25 1.506 -8.318 -23.252 202 1HD1 LEU 25 1HD1 LEU 25 0.266 -6.366 -25.283 203 2HD1 LEU 25 2HD1 LEU 25 1.048 -7.953 -25.632 204 3HD1 LEU 25 3HD1 LEU 25 2.027 -6.596 -24.984 205 1HD2 LEU 25 1HD2 LEU 25 0.282 -5.527 -22.741 206 2HD2 LEU 25 2HD2 LEU 25 0.811 -6.684 -21.468 207 3HD2 LEU 25 3HD2 LEU 25 2.019 -5.984 -22.605 208 H THR 26 H THR 26 -0.792 -11.699 -23.366 209 HA THR 26 HA THR 26 -3.620 -12.297 -23.351 210 HB THR 26 HB THR 26 -2.623 -14.626 -22.529 211 HG1 THR 26 HG1 THR 26 -0.536 -13.827 -22.053 212 1HG2 THR 26 1HG2 THR 26 -2.057 -13.330 -25.283 213 2HG2 THR 26 2HG2 THR 26 -3.608 -14.092 -24.772 214 3HG2 THR 26 3HG2 THR 26 -2.122 -15.097 -24.929 215 H GLU 27 H GLU 27 -3.811 -14.169 -21.079 216 HA GLU 27 HA GLU 27 -4.976 -12.345 -19.354 217 1HB GLU 27 1HB GLU 27 -5.629 -14.748 -19.687 218 2HB GLU 27 2HB GLU 27 -4.229 -15.241 -18.677 219 1HG GLU 27 1HG GLU 27 -5.217 -14.027 -16.710 220 2HG GLU 27 2HG GLU 27 -6.570 -13.432 -17.746 221 H GLU 28 H GLU 28 -1.784 -14.116 -18.708 222 HA GLU 28 HA GLU 28 -1.315 -12.883 -16.211 223 1HB GLU 28 1HB GLU 28 0.972 -13.625 -16.390 224 2HB GLU 28 2HB GLU 28 -0.140 -14.905 -16.965 225 1HG GLU 28 1HG GLU 28 1.767 -13.163 -18.622 226 2HG GLU 28 2HG GLU 28 1.791 -14.941 -18.395 227 H GLN 29 H GLN 29 -0.047 -11.791 -19.513 228 HA GLN 29 HA GLN 29 1.210 -9.482 -18.464 229 1HB GLN 29 1HB GLN 29 0.287 -10.201 -21.254 230 2HB GLN 29 2HB GLN 29 1.286 -8.737 -20.896 231 1HG GLN 29 1HG GLN 29 3.178 -10.021 -20.192 232 2HG GLN 29 2HG GLN 29 2.231 -11.542 -20.058 233 1HE2 GLN 29 1HE2 GLN 29 1.380 -12.550 -21.998 234 2HE2 GLN 29 2HE2 GLN 29 2.126 -12.285 -23.550 235 H LYS 30 H LYS 30 -2.117 -9.722 -19.911 236 HA LYS 30 HA LYS 30 -2.814 -7.000 -19.703 237 1HB LYS 30 1HB LYS 30 -3.971 -8.915 -20.949 238 2HB LYS 30 2HB LYS 30 -4.760 -9.348 -19.401 239 1HG LYS 30 1HG LYS 30 -5.913 -7.130 -19.387 240 2HG LYS 30 2HG LYS 30 -4.896 -6.577 -20.768 241 1HD LYS 30 1HD LYS 30 -5.850 -8.418 -22.195 242 2HD LYS 30 2HD LYS 30 -6.976 -8.848 -20.857 243 1HE LYS 30 1HE LYS 30 -8.030 -6.563 -21.015 244 2HE LYS 30 2HE LYS 30 -6.842 -6.102 -22.302 245 1HZ LYS 30 1HZ LYS 30 -8.921 -6.752 -23.242 246 2HZ LYS 30 2HZ LYS 30 -7.721 -7.842 -23.700 247 3HZ LYS 30 3HZ LYS 30 -8.859 -8.288 -22.510 248 H GLN 31 H GLN 31 -3.301 -9.680 -17.247 249 HA GLN 31 HA GLN 31 -4.345 -8.057 -15.175 250 1HB GLN 31 1HB GLN 31 -4.506 -10.484 -15.145 251 2HB GLN 31 2HB GLN 31 -2.733 -10.667 -15.105 252 1HG GLN 31 1HG GLN 31 -4.078 -9.110 -12.821 253 2HG GLN 31 2HG GLN 31 -4.343 -10.885 -12.922 254 1HE2 GLN 31 1HE2 GLN 31 -2.066 -8.455 -11.880 255 2HE2 GLN 31 2HE2 GLN 31 -0.778 -9.540 -11.481 256 H GLU 32 H GLU 32 -0.789 -8.824 -15.905 257 HA GLU 32 HA GLU 32 0.348 -7.417 -13.774 258 1HB GLU 32 1HB GLU 32 1.345 -7.774 -16.640 259 2HB GLU 32 2HB GLU 32 2.330 -6.998 -15.355 260 1HG GLU 32 1HG GLU 32 2.349 -9.020 -13.989 261 2HG GLU 32 2HG GLU 32 1.256 -9.874 -15.130 262 H ILE 33 H ILE 33 -0.568 -5.904 -17.032 263 HA ILE 33 HA ILE 33 0.301 -3.283 -16.263 264 HB ILE 33 HB ILE 33 -1.258 -4.592 -18.458 265 1HG1 ILE 33 1HG1 ILE 33 0.246 -3.082 -19.858 266 2HG1 ILE 33 2HG1 ILE 33 1.004 -2.497 -18.346 267 1HG2 ILE 33 1HG2 ILE 33 -1.595 -1.590 -17.927 268 2HG2 ILE 33 2HG2 ILE 33 -1.902 -2.394 -19.505 269 3HG2 ILE 33 3HG2 ILE 33 -2.888 -2.838 -18.076 270 1HD1 ILE 33 1HD1 ILE 33 0.974 -5.431 -19.341 271 2HD1 ILE 33 2HD1 ILE 33 2.355 -4.285 -19.483 272 3HD1 ILE 33 3HD1 ILE 33 1.812 -4.836 -17.859 273 H ARG 34 H ARG 34 -3.177 -4.719 -16.024 274 HA ARG 34 HA ARG 34 -4.168 -2.301 -14.875 275 1HB ARG 34 1HB ARG 34 -5.663 -4.032 -15.807 276 2HB ARG 34 2HB ARG 34 -5.260 -5.144 -14.462 277 1HG ARG 34 1HG ARG 34 -6.300 -2.346 -13.828 278 2HG ARG 34 2HG ARG 34 -7.464 -3.535 -14.494 279 1HD ARG 34 1HD ARG 34 -7.312 -5.007 -12.589 280 2HD ARG 34 2HD ARG 34 -5.782 -4.262 -12.018 281 HE ARG 34 HE ARG 34 -6.918 -2.490 -11.039 282 1HH1 ARG 34 1HH1 ARG 34 -9.296 -4.390 -12.949 283 2HH1 ARG 34 2HH1 ARG 34 -10.660 -3.670 -12.190 284 1HH2 ARG 34 1HH2 ARG 34 -8.681 -1.540 -10.065 285 2HH2 ARG 34 2HH2 ARG 34 -10.318 -1.961 -10.479 286 H GLU 35 H GLU 35 -2.909 -5.321 -13.118 287 HA GLU 35 HA GLU 35 -3.288 -4.276 -10.530 288 1HB GLU 35 1HB GLU 35 -2.891 -6.639 -11.146 289 2HB GLU 35 2HB GLU 35 -1.179 -6.284 -11.502 290 1HG GLU 35 1HG GLU 35 -2.341 -5.601 -8.728 291 2HG GLU 35 2HG GLU 35 -2.087 -7.328 -9.160 292 H ALA 36 H ALA 36 -0.261 -3.880 -12.661 293 HA ALA 36 HA ALA 36 1.222 -2.423 -10.778 294 1HB ALA 36 1HB ALA 36 2.506 -1.504 -12.717 295 2HB ALA 36 2HB ALA 36 2.209 -3.271 -12.891 296 3HB ALA 36 3HB ALA 36 1.218 -2.105 -13.836 297 H PHE 37 H PHE 37 -0.866 -0.948 -13.432 298 HA PHE 37 HA PHE 37 -0.546 1.724 -12.577 299 1HB PHE 37 1HB PHE 37 -1.562 0.689 -14.786 300 2HB PHE 37 2HB PHE 37 -3.110 0.596 -13.892 301 HD1 PHE 37 HD1 PHE 37 -0.848 2.646 -15.784 302 HD2 PHE 37 HD2 PHE 37 -4.041 2.858 -12.906 303 HE1 PHE 37 HE1 PHE 37 -1.307 4.971 -16.461 304 HE2 PHE 37 HE2 PHE 37 -4.409 5.227 -13.500 305 HZ PHE 37 HZ PHE 37 -3.020 6.283 -15.270 306 H ASP 38 H ASP 38 -3.199 -0.678 -11.610 307 HA ASP 38 HA ASP 38 -4.603 1.071 -9.882 308 1HB ASP 38 1HB ASP 38 -5.245 -1.223 -10.861 309 2HB ASP 38 2HB ASP 38 -4.243 -1.980 -9.583 310 H LEU 39 H LEU 39 -1.661 -1.066 -9.090 311 HA LEU 39 HA LEU 39 -1.549 -0.564 -6.342 312 1HB LEU 39 1HB LEU 39 0.689 -0.952 -8.382 313 2HB LEU 39 2HB LEU 39 1.069 -0.643 -6.660 314 HG LEU 39 HG LEU 39 -0.667 -2.991 -7.592 315 1HD1 LEU 39 1HD1 LEU 39 1.600 -3.209 -8.551 316 2HD1 LEU 39 2HD1 LEU 39 1.369 -4.396 -7.220 317 3HD1 LEU 39 3HD1 LEU 39 2.347 -2.908 -6.934 318 1HD2 LEU 39 1HD2 LEU 39 0.690 -2.400 -4.886 319 2HD2 LEU 39 2HD2 LEU 39 -0.176 -3.919 -5.331 320 3HD2 LEU 39 3HD2 LEU 39 -1.082 -2.369 -5.224 321 H PHE 40 H PHE 40 -0.148 1.533 -8.967 322 HA PHE 40 HA PHE 40 0.615 3.560 -7.019 323 1HB PHE 40 1HB PHE 40 0.726 3.638 -10.077 324 2HB PHE 40 2HB PHE 40 1.379 4.918 -8.966 325 HD1 PHE 40 HD1 PHE 40 2.082 1.715 -10.519 326 HD2 PHE 40 HD2 PHE 40 3.011 4.158 -7.111 327 HE1 PHE 40 HE1 PHE 40 4.018 0.268 -10.016 328 HE2 PHE 40 HE2 PHE 40 4.976 2.736 -6.631 329 HZ PHE 40 HZ PHE 40 5.475 0.774 -8.073 330 H ASP 41 H ASP 41 -2.098 3.347 -9.497 331 HA ASP 41 HA ASP 41 -3.315 5.777 -8.429 332 1HB ASP 41 1HB ASP 41 -3.332 4.945 -10.900 333 2HB ASP 41 2HB ASP 41 -4.535 3.725 -10.386 334 H ALA 42 H ALA 42 -3.396 4.832 -6.115 335 HA ALA 42 HA ALA 42 -4.737 2.400 -5.598 336 1HB ALA 42 1HB ALA 42 -4.121 4.670 -3.621 337 2HB ALA 42 2HB ALA 42 -4.512 2.962 -3.188 338 3HB ALA 42 3HB ALA 42 -3.001 3.336 -4.090 339 H ASP 43 H ASP 43 -6.035 5.770 -4.991 340 HA ASP 43 HA ASP 43 -8.550 4.699 -3.990 341 1HB ASP 43 1HB ASP 43 -7.654 7.591 -4.513 342 2HB ASP 43 2HB ASP 43 -9.198 7.123 -3.710 343 H GLY 44 H GLY 44 -7.535 5.416 -7.265 344 1HA GLY 44 1HA GLY 44 -8.851 5.338 -9.146 345 2HA GLY 44 2HA GLY 44 -10.311 5.769 -8.185 346 H THR 45 H THR 45 -7.328 7.008 -9.724 347 HA THR 45 HA THR 45 -8.289 9.798 -9.327 348 HB THR 45 HB THR 45 -5.585 10.171 -9.637 349 HG1 THR 45 HG1 THR 45 -5.189 7.921 -9.426 350 1HG2 THR 45 1HG2 THR 45 -5.658 10.593 -7.168 351 2HG2 THR 45 2HG2 THR 45 -7.139 11.226 -7.975 352 3HG2 THR 45 3HG2 THR 45 -7.211 9.680 -7.047 353 H GLY 46 H GLY 46 -5.906 8.119 -11.589 354 1HA GLY 46 1HA GLY 46 -6.960 8.560 -13.989 355 2HA GLY 46 2HA GLY 46 -6.457 10.230 -13.524 356 H THR 47 H THR 47 -4.051 10.425 -12.763 357 HA THR 47 HA THR 47 -2.469 8.954 -14.766 358 HB THR 47 HB THR 47 -0.839 10.845 -14.651 359 HG1 THR 47 HG1 THR 47 -1.251 11.868 -12.830 360 1HG2 THR 47 1HG2 THR 47 -3.765 11.535 -15.423 361 2HG2 THR 47 2HG2 THR 47 -2.274 12.347 -16.030 362 3HG2 THR 47 3HG2 THR 47 -2.586 10.623 -16.440 363 H ILE 48 H ILE 48 -0.623 7.923 -14.354 364 HA ILE 48 HA ILE 48 0.459 7.827 -11.575 365 HB ILE 48 HB ILE 48 -0.109 5.568 -12.374 366 1HG1 ILE 48 1HG1 ILE 48 2.917 6.183 -12.461 367 2HG1 ILE 48 2HG1 ILE 48 1.914 5.731 -11.047 368 1HG2 ILE 48 1HG2 ILE 48 -0.064 6.167 -14.880 369 2HG2 ILE 48 2HG2 ILE 48 1.723 5.988 -14.823 370 3HG2 ILE 48 3HG2 ILE 48 0.666 4.593 -14.444 371 1HD1 ILE 48 1HD1 ILE 48 1.506 3.458 -12.189 372 2HD1 ILE 48 2HD1 ILE 48 2.672 3.955 -13.475 373 3HD1 ILE 48 3HD1 ILE 48 3.231 3.787 -11.778 374 H ASP 49 H ASP 49 2.307 9.054 -11.388 375 HA ASP 49 HA ASP 49 3.333 10.317 -13.867 376 1HB ASP 49 1HB ASP 49 3.527 11.209 -10.947 377 2HB ASP 49 2HB ASP 49 4.344 12.054 -12.315 378 H VAL 50 H VAL 50 5.629 10.950 -13.949 379 HA VAL 50 HA VAL 50 7.129 8.853 -14.423 380 HB VAL 50 HB VAL 50 7.527 11.051 -15.268 381 1HG1 VAL 50 1HG1 VAL 50 8.890 11.709 -12.574 382 2HG1 VAL 50 2HG1 VAL 50 7.304 12.359 -13.147 383 3HG1 VAL 50 3HG1 VAL 50 8.814 12.752 -14.037 384 1HG2 VAL 50 1HG2 VAL 50 10.101 9.840 -14.074 385 2HG2 VAL 50 2HG2 VAL 50 9.959 10.913 -15.512 386 3HG2 VAL 50 3HG2 VAL 50 9.244 9.260 -15.555 387 H LYS 51 H LYS 51 7.452 10.316 -11.100 388 HA LYS 51 HA LYS 51 9.564 8.696 -10.153 389 1HB LYS 51 1HB LYS 51 7.075 9.647 -8.609 390 2HB LYS 51 2HB LYS 51 8.635 9.128 -7.878 391 1HG LYS 51 1HG LYS 51 9.776 11.093 -8.887 392 2HG LYS 51 2HG LYS 51 8.272 11.560 -9.756 393 1HD LYS 51 1HD LYS 51 7.084 11.812 -7.563 394 2HD LYS 51 2HD LYS 51 8.638 11.500 -6.706 395 1HE LYS 51 1HE LYS 51 9.650 13.541 -7.770 396 2HE LYS 51 2HE LYS 51 8.125 13.817 -8.710 397 1HZ LYS 51 1HZ LYS 51 6.954 14.105 -6.634 398 2HZ LYS 51 2HZ LYS 51 8.379 13.856 -5.744 399 3HZ LYS 51 3HZ LYS 51 8.243 15.199 -6.772 400 H GLU 52 H GLU 52 5.987 8.101 -9.720 401 HA GLU 52 HA GLU 52 6.041 5.446 -8.803 402 1HB GLU 52 1HB GLU 52 3.980 6.918 -10.520 403 2HB GLU 52 2HB GLU 52 3.652 5.447 -9.543 404 1HG GLU 52 1HG GLU 52 3.984 6.691 -7.448 405 2HG GLU 52 2HG GLU 52 4.562 8.157 -8.327 406 H LEU 53 H LEU 53 5.669 6.668 -12.288 407 HA LEU 53 HA LEU 53 5.539 4.157 -13.519 408 1HB LEU 53 1HB LEU 53 5.653 6.857 -14.307 409 2HB LEU 53 2HB LEU 53 7.067 6.149 -15.128 410 HG LEU 53 HG LEU 53 4.149 5.163 -15.280 411 1HD1 LEU 53 1HD1 LEU 53 4.478 7.365 -16.370 412 2HD1 LEU 53 2HD1 LEU 53 4.184 6.078 -17.596 413 3HD1 LEU 53 3HD1 LEU 53 5.852 6.706 -17.340 414 1HD2 LEU 53 1HD2 LEU 53 4.885 3.723 -17.188 415 2HD2 LEU 53 2HD2 LEU 53 6.600 4.184 -16.885 416 3HD2 LEU 53 3HD2 LEU 53 5.684 3.237 -15.652 417 H LYS 54 H LYS 54 8.571 5.945 -12.611 418 HA LYS 54 HA LYS 54 10.421 4.164 -13.747 419 1HB LYS 54 1HB LYS 54 10.818 6.505 -12.800 420 2HB LYS 54 2HB LYS 54 10.894 5.755 -11.176 421 1HG LYS 54 1HG LYS 54 12.842 4.339 -11.979 422 2HG LYS 54 2HG LYS 54 12.646 5.057 -13.619 423 1HD LYS 54 1HD LYS 54 13.055 7.368 -12.556 424 2HD LYS 54 2HD LYS 54 13.428 6.525 -11.019 425 1HE LYS 54 1HE LYS 54 15.535 7.097 -12.172 426 2HE LYS 54 2HE LYS 54 15.337 5.298 -12.192 427 1HZ LYS 54 1HZ LYS 54 14.678 7.160 -14.421 428 2HZ LYS 54 2HZ LYS 54 14.521 5.469 -14.448 429 3HZ LYS 54 3HZ LYS 54 16.057 6.177 -14.304 430 H VAL 55 H VAL 55 9.203 4.116 -10.246 431 HA VAL 55 HA VAL 55 10.469 1.594 -9.711 432 HB VAL 55 HB VAL 55 8.993 1.385 -7.734 433 1HG1 VAL 55 1HG1 VAL 55 10.512 4.057 -8.129 434 2HG1 VAL 55 2HG1 VAL 55 11.256 2.466 -7.713 435 3HG1 VAL 55 3HG1 VAL 55 10.130 3.266 -6.557 436 1HG2 VAL 55 1HG2 VAL 55 7.976 4.171 -8.635 437 2HG2 VAL 55 2HG2 VAL 55 7.003 2.659 -8.666 438 3HG2 VAL 55 3HG2 VAL 55 7.581 3.327 -7.100 439 H ALA 56 H ALA 56 7.224 2.353 -11.117 440 HA ALA 56 HA ALA 56 6.234 -0.280 -11.228 441 1HB ALA 56 1HB ALA 56 4.786 0.449 -13.082 442 2HB ALA 56 2HB ALA 56 5.818 1.896 -13.361 443 3HB ALA 56 3HB ALA 56 4.866 1.754 -11.847 444 H MET 57 H MET 57 8.303 1.455 -13.692 445 HA MET 57 HA MET 57 8.722 -0.706 -15.457 446 1HB MET 57 1HB MET 57 9.226 1.570 -16.082 447 2HB MET 57 2HB MET 57 10.348 1.788 -14.712 448 1HG MET 57 1HG MET 57 10.975 -0.303 -16.846 449 2HG MET 57 2HG MET 57 11.177 1.433 -17.220 450 1HE MET 57 1HE MET 57 13.554 0.809 -17.951 451 2HE MET 57 2HE MET 57 14.799 0.049 -16.899 452 3HE MET 57 3HE MET 57 13.347 -0.887 -17.390 453 H ARG 58 H ARG 58 10.455 -0.032 -12.306 454 HA ARG 58 HA ARG 58 12.533 -1.948 -12.675 455 1HB ARG 58 1HB ARG 58 11.126 -1.189 -10.052 456 2HB ARG 58 2HB ARG 58 12.634 -2.156 -10.182 457 1HG ARG 58 1HG ARG 58 13.815 -0.214 -11.196 458 2HG ARG 58 2HG ARG 58 12.303 0.757 -11.096 459 1HD ARG 58 1HD ARG 58 12.286 0.419 -8.573 460 2HD ARG 58 2HD ARG 58 13.892 -0.423 -8.711 461 HE ARG 58 HE ARG 58 14.089 2.095 -10.051 462 1HH1 ARG 58 1HH1 ARG 58 13.613 0.824 -6.730 463 2HH1 ARG 58 2HH1 ARG 58 14.335 2.168 -5.944 464 1HH2 ARG 58 1HH2 ARG 58 15.098 3.944 -8.955 465 2HH2 ARG 58 2HH2 ARG 58 15.197 3.986 -7.244 466 H ALA 59 H ALA 59 9.278 -2.427 -10.903 467 HA ALA 59 HA ALA 59 9.540 -5.258 -10.788 468 1HB ALA 59 1HB ALA 59 6.988 -3.547 -10.718 469 2HB ALA 59 2HB ALA 59 8.001 -3.991 -9.299 470 3HB ALA 59 3HB ALA 59 7.116 -5.272 -10.200 471 H LEU 60 H LEU 60 7.502 -3.310 -13.201 472 HA LEU 60 HA LEU 60 6.597 -5.663 -14.549 473 1HB LEU 60 1HB LEU 60 5.371 -3.472 -14.437 474 2HB LEU 60 2HB LEU 60 6.635 -2.732 -15.466 475 HG LEU 60 HG LEU 60 5.986 -4.244 -17.353 476 1HD1 LEU 60 1HD1 LEU 60 3.734 -5.231 -15.485 477 2HD1 LEU 60 2HD1 LEU 60 5.108 -6.220 -16.109 478 3HD1 LEU 60 3HD1 LEU 60 3.880 -5.586 -17.247 479 1HD2 LEU 60 1HD2 LEU 60 4.971 -1.976 -17.115 480 2HD2 LEU 60 2HD2 LEU 60 3.610 -2.679 -16.160 481 3HD2 LEU 60 3HD2 LEU 60 3.837 -3.142 -17.888 482 H GLY 61 H GLY 61 9.402 -3.441 -15.310 483 1HA GLY 61 1HA GLY 61 10.028 -4.490 -17.844 484 2HA GLY 61 2HA GLY 61 11.143 -3.736 -16.659 485 H PHE 62 H PHE 62 11.105 -5.707 -14.592 486 HA PHE 62 HA PHE 62 11.731 -7.691 -13.899 487 1HB PHE 62 1HB PHE 62 11.214 -8.854 -16.705 488 2HB PHE 62 2HB PHE 62 11.602 -9.813 -15.237 489 HD1 PHE 62 HD1 PHE 62 10.047 -9.323 -13.126 490 HD2 PHE 62 HD2 PHE 62 8.945 -8.638 -17.228 491 HE1 PHE 62 HE1 PHE 62 7.659 -9.530 -12.525 492 HE2 PHE 62 HE2 PHE 62 6.555 -8.851 -16.616 493 HZ PHE 62 HZ PHE 62 5.910 -9.300 -14.272 494 H GLU 63 H GLU 63 13.836 -8.228 -13.334 495 HA GLU 63 HA GLU 63 16.001 -7.254 -14.717 496 1HB GLU 63 1HB GLU 63 15.749 -9.391 -12.589 497 2HB GLU 63 2HB GLU 63 17.351 -9.112 -13.350 498 1HG GLU 63 1HG GLU 63 17.036 -7.874 -11.190 499 2HG GLU 63 2HG GLU 63 17.472 -6.835 -12.594 500 HA PRO 64 HA PRO 64 17.085 -11.361 -17.086 501 1HB PRO 64 1HB PRO 64 14.225 -12.482 -17.316 502 2HB PRO 64 2HB PRO 64 15.779 -13.407 -17.394 503 1HG PRO 64 1HG PRO 64 14.313 -13.418 -15.094 504 2HG PRO 64 2HG PRO 64 16.106 -13.167 -14.995 505 1HD PRO 64 1HD PRO 64 13.899 -11.025 -14.883 506 2HD PRO 64 2HD PRO 64 15.381 -11.216 -13.835 507 H LYS 65 H LYS 65 14.234 -9.313 -17.677 508 HA LYS 65 HA LYS 65 14.639 -9.463 -20.622 509 1HB LYS 65 1HB LYS 65 12.290 -8.477 -18.904 510 2HB LYS 65 2HB LYS 65 12.433 -8.169 -20.668 511 1HG LYS 65 1HG LYS 65 12.449 -10.662 -21.075 512 2HG LYS 65 2HG LYS 65 12.286 -10.911 -19.303 513 1HD LYS 65 1HD LYS 65 10.124 -11.209 -20.122 514 2HD LYS 65 2HD LYS 65 10.078 -9.565 -19.412 515 1HE LYS 65 1HE LYS 65 10.425 -10.206 -22.441 516 2HE LYS 65 2HE LYS 65 8.840 -9.869 -21.643 517 1HZ LYS 65 1HZ LYS 65 11.136 -7.977 -21.858 518 2HZ LYS 65 2HZ LYS 65 9.752 -7.952 -22.765 519 3HZ LYS 65 3HZ LYS 65 9.644 -7.660 -21.090 520 H LYS 66 H LYS 66 13.181 -6.701 -18.786 521 HA LYS 66 HA LYS 66 13.336 -4.570 -19.242 522 1HB LYS 66 1HB LYS 66 16.113 -5.032 -18.156 523 2HB LYS 66 2HB LYS 66 15.502 -3.381 -18.531 524 1HG LYS 66 1HG LYS 66 13.488 -3.760 -17.133 525 2HG LYS 66 2HG LYS 66 14.152 -5.347 -16.616 526 1HD LYS 66 1HD LYS 66 16.052 -4.227 -15.491 527 2HD LYS 66 2HD LYS 66 15.584 -2.648 -16.213 528 1HE LYS 66 1HE LYS 66 14.845 -2.705 -13.845 529 2HE LYS 66 2HE LYS 66 13.411 -2.682 -14.949 530 1HZ LYS 66 1HZ LYS 66 14.500 -4.891 -13.309 531 2HZ LYS 66 2HZ LYS 66 13.535 -5.221 -14.680 532 3HZ LYS 66 3HZ LYS 66 12.916 -4.292 -13.399 533 H GLU 67 H GLU 67 13.484 -5.758 -21.853 534 HA GLU 67 HA GLU 67 15.177 -3.872 -23.317 535 1HB GLU 67 1HB GLU 67 14.826 -5.083 -25.254 536 2HB GLU 67 2HB GLU 67 14.925 -6.359 -24.003 537 1HG GLU 67 1HG GLU 67 12.351 -5.272 -25.352 538 2HG GLU 67 2HG GLU 67 13.204 -6.792 -25.755 539 H GLU 68 H GLU 68 14.205 -2.323 -24.868 540 HA GLU 68 HA GLU 68 12.884 -0.802 -25.616 541 1HB GLU 68 1HB GLU 68 10.632 -0.944 -26.225 542 2HB GLU 68 2HB GLU 68 11.461 -2.486 -26.606 543 1HG GLU 68 1HG GLU 68 10.310 -3.648 -24.785 544 2HG GLU 68 2HG GLU 68 9.695 -2.093 -24.104 545 H ILE 69 H ILE 69 11.885 -1.768 -22.387 546 HA ILE 69 HA ILE 69 10.404 0.460 -21.703 547 HB ILE 69 HB ILE 69 11.886 -0.682 -19.398 548 1HG1 ILE 69 1HG1 ILE 69 11.644 -2.730 -20.803 549 2HG1 ILE 69 2HG1 ILE 69 10.727 -2.739 -19.282 550 1HG2 ILE 69 1HG2 ILE 69 10.027 0.968 -19.156 551 2HG2 ILE 69 2HG2 ILE 69 9.510 -0.634 -18.510 552 3HG2 ILE 69 3HG2 ILE 69 8.926 -0.076 -20.117 553 1HD1 ILE 69 1HD1 ILE 69 9.446 -3.738 -21.215 554 2HD1 ILE 69 2HD1 ILE 69 9.404 -2.122 -21.999 555 3HD1 ILE 69 3HD1 ILE 69 8.585 -2.377 -20.417 556 H LYS 70 H LYS 70 13.986 0.317 -21.684 557 HA LYS 70 HA LYS 70 14.439 2.707 -20.210 558 1HB LYS 70 1HB LYS 70 16.195 1.032 -20.860 559 2HB LYS 70 2HB LYS 70 16.043 1.560 -22.567 560 1HG LYS 70 1HG LYS 70 16.843 3.855 -21.912 561 2HG LYS 70 2HG LYS 70 16.943 3.322 -20.195 562 1HD LYS 70 1HD LYS 70 18.639 1.596 -20.832 563 2HD LYS 70 2HD LYS 70 18.520 2.113 -22.554 564 1HE LYS 70 1HE LYS 70 19.374 4.404 -21.931 565 2HE LYS 70 2HE LYS 70 19.497 3.885 -20.201 566 1HZ LYS 70 1HZ LYS 70 20.965 2.689 -22.499 567 2HZ LYS 70 2HZ LYS 70 21.082 2.205 -20.876 568 3HZ LYS 70 3HZ LYS 70 21.594 3.754 -21.338 569 H LYS 71 H LYS 71 13.799 2.246 -23.775 570 HA LYS 71 HA LYS 71 13.878 5.028 -24.436 571 1HB LYS 71 1HB LYS 71 13.976 2.763 -25.902 572 2HB LYS 71 2HB LYS 71 12.222 3.056 -26.060 573 1HG LYS 71 1HG LYS 71 14.553 4.935 -26.859 574 2HG LYS 71 2HG LYS 71 13.554 3.926 -27.958 575 1HD LYS 71 1HD LYS 71 11.515 5.289 -27.253 576 2HD LYS 71 2HD LYS 71 12.631 6.378 -26.349 577 1HE LYS 71 1HE LYS 71 13.859 6.885 -28.514 578 2HE LYS 71 2HE LYS 71 12.677 5.832 -29.396 579 1HZ LYS 71 1HZ LYS 71 12.084 8.331 -27.895 580 2HZ LYS 71 2HZ LYS 71 11.993 8.072 -29.571 581 3HZ LYS 71 3HZ LYS 71 10.902 7.283 -28.524 582 H MET 72 H MET 72 10.986 2.812 -23.562 583 HA MET 72 HA MET 72 8.993 4.767 -23.957 584 1HB MET 72 1HB MET 72 9.096 2.622 -21.759 585 2HB MET 72 2HB MET 72 7.624 3.521 -22.263 586 1HG MET 72 1HG MET 72 9.237 1.575 -24.038 587 2HG MET 72 2HG MET 72 7.744 1.208 -23.139 588 1HE MET 72 1HE MET 72 9.261 3.665 -25.987 589 2HE MET 72 2HE MET 72 9.195 1.924 -26.445 590 3HE MET 72 3HE MET 72 8.155 3.124 -27.287 591 H ILE 73 H ILE 73 10.880 4.237 -20.739 592 HA ILE 73 HA ILE 73 9.686 6.466 -19.440 593 HB ILE 73 HB ILE 73 12.452 5.268 -19.025 594 1HG1 ILE 73 1HG1 ILE 73 10.624 3.590 -18.755 595 2HG1 ILE 73 2HG1 ILE 73 11.462 3.962 -17.225 596 1HG2 ILE 73 1HG2 ILE 73 12.213 6.259 -16.681 597 2HG2 ILE 73 2HG2 ILE 73 12.412 7.493 -17.971 598 3HG2 ILE 73 3HG2 ILE 73 10.784 7.190 -17.263 599 1HD1 ILE 73 1HD1 ILE 73 8.686 5.057 -18.045 600 2HD1 ILE 73 2HD1 ILE 73 9.015 3.736 -16.874 601 3HD1 ILE 73 3HD1 ILE 73 9.539 5.410 -16.494 602 H SER 74 H SER 74 12.720 6.460 -21.535 603 HA SER 74 HA SER 74 13.233 9.231 -21.118 604 1HB SER 74 1HB SER 74 14.835 7.368 -21.908 605 2HB SER 74 2HB SER 74 14.107 7.557 -23.542 606 HG SER 74 HG SER 74 15.992 8.784 -23.247 607 H GLU 75 H GLU 75 11.056 7.671 -23.490 608 HA GLU 75 HA GLU 75 10.725 9.983 -25.198 609 1HB GLU 75 1HB GLU 75 10.536 7.590 -25.949 610 2HB GLU 75 2HB GLU 75 9.093 7.388 -24.910 611 1HG GLU 75 1HG GLU 75 7.824 9.024 -26.303 612 2HG GLU 75 2HG GLU 75 9.289 9.350 -27.301 613 H ILE 76 H ILE 76 9.047 8.658 -22.327 614 HA ILE 76 HA ILE 76 6.609 9.987 -22.884 615 HB ILE 76 HB ILE 76 5.669 9.210 -20.776 616 1HG1 ILE 76 1HG1 ILE 76 7.028 7.177 -19.801 617 2HG1 ILE 76 2HG1 ILE 76 8.472 8.075 -20.360 618 1HG2 ILE 76 1HG2 ILE 76 5.548 6.858 -21.597 619 2HG2 ILE 76 2HG2 ILE 76 5.337 8.087 -22.894 620 3HG2 ILE 76 3HG2 ILE 76 6.886 7.196 -22.757 621 1HD1 ILE 76 1HD1 ILE 76 6.318 9.183 -18.433 622 2HD1 ILE 76 2HD1 ILE 76 7.898 8.474 -17.933 623 3HD1 ILE 76 3HD1 ILE 76 7.866 9.998 -18.880 624 H ASP 77 H ASP 77 9.364 11.241 -21.131 625 HA ASP 77 HA ASP 77 7.856 13.277 -19.693 626 1HB ASP 77 1HB ASP 77 10.235 12.310 -19.124 627 2HB ASP 77 2HB ASP 77 10.854 13.402 -20.405 628 H LYS 78 H LYS 78 6.622 14.688 -21.057 629 HA LYS 78 HA LYS 78 7.891 15.618 -23.596 630 1HB LYS 78 1HB LYS 78 4.981 14.906 -22.974 631 2HB LYS 78 2HB LYS 78 5.542 15.554 -24.556 632 1HG LYS 78 1HG LYS 78 6.485 13.500 -25.192 633 2HG LYS 78 2HG LYS 78 6.822 12.997 -23.509 634 1HD LYS 78 1HD LYS 78 5.030 11.592 -24.297 635 2HD LYS 78 2HD LYS 78 4.430 12.714 -23.033 636 1HE LYS 78 1HE LYS 78 3.768 14.190 -25.299 637 2HE LYS 78 2HE LYS 78 3.722 12.526 -25.995 638 1HZ LYS 78 1HZ LYS 78 2.253 11.998 -24.003 639 2HZ LYS 78 2HZ LYS 78 2.189 13.691 -23.737 640 3HZ LYS 78 3HZ LYS 78 1.600 13.029 -25.188 641 H GLU 79 H GLU 79 4.799 16.604 -21.825 642 HA GLU 79 HA GLU 79 5.193 19.283 -22.949 643 1HB GLU 79 1HB GLU 79 2.607 18.704 -21.508 644 2HB GLU 79 2HB GLU 79 2.949 19.549 -23.034 645 1HG GLU 79 1HG GLU 79 1.703 17.649 -23.664 646 2HG GLU 79 2HG GLU 79 3.389 17.175 -24.070 647 H GLY 80 H GLY 80 4.038 17.909 -19.799 648 1HA GLY 80 1HA GLY 80 5.494 20.078 -18.380 649 2HA GLY 80 2HA GLY 80 3.860 19.503 -17.888 650 H THR 81 H THR 81 6.871 17.814 -18.921 651 HA THR 81 HA THR 81 7.984 16.130 -18.197 652 HB THR 81 HB THR 81 8.485 15.549 -15.914 653 HG1 THR 81 HG1 THR 81 6.234 17.142 -15.420 654 1HG2 THR 81 1HG2 THR 81 8.322 18.610 -16.361 655 2HG2 THR 81 2HG2 THR 81 9.587 17.509 -17.026 656 3HG2 THR 81 3HG2 THR 81 9.434 17.734 -15.247 657 H GLY 82 H GLY 82 7.817 13.831 -16.992 658 1HA GLY 82 1HA GLY 82 5.887 12.537 -18.551 659 2HA GLY 82 2HA GLY 82 6.986 11.806 -17.341 660 H LYS 83 H LYS 83 3.881 12.132 -18.295 661 HA LYS 83 HA LYS 83 2.792 11.078 -15.804 662 1HB LYS 83 1HB LYS 83 0.753 12.621 -16.002 663 2HB LYS 83 2HB LYS 83 2.260 13.365 -15.388 664 1HG LYS 83 1HG LYS 83 2.787 14.298 -17.629 665 2HG LYS 83 2HG LYS 83 1.284 13.577 -18.298 666 1HD LYS 83 1HD LYS 83 -0.089 15.057 -16.871 667 2HD LYS 83 2HD LYS 83 1.373 15.621 -15.992 668 1HE LYS 83 1HE LYS 83 0.609 17.314 -17.708 669 2HE LYS 83 2HE LYS 83 2.282 16.698 -18.032 670 1HZ LYS 83 1HZ LYS 83 0.020 16.603 -19.695 671 2HZ LYS 83 2HZ LYS 83 1.624 16.117 -20.010 672 3HZ LYS 83 3HZ LYS 83 0.513 15.015 -19.352 673 H MET 84 H MET 84 1.511 9.338 -16.254 674 HA MET 84 HA MET 84 0.493 9.042 -19.021 675 1HB MET 84 1HB MET 84 2.531 7.634 -18.144 676 2HB MET 84 2HB MET 84 1.289 6.642 -17.321 677 1HG MET 84 1HG MET 84 0.300 6.025 -19.480 678 2HG MET 84 2HG MET 84 1.152 7.367 -20.308 679 1HE MET 84 1HE MET 84 3.010 4.675 -22.228 680 2HE MET 84 2HE MET 84 1.262 4.833 -21.860 681 3HE MET 84 3HE MET 84 2.236 6.296 -22.233 682 H ASN 85 H ASN 85 -1.744 8.568 -19.253 683 HA ASN 85 HA ASN 85 -3.259 7.883 -16.774 684 1HB ASN 85 1HB ASN 85 -4.126 9.815 -18.116 685 2HB ASN 85 2HB ASN 85 -4.086 8.815 -19.597 686 1HD2 ASN 85 1HD2 ASN 85 -5.617 8.670 -16.258 687 2HD2 ASN 85 2HD2 ASN 85 -7.186 8.235 -16.853 688 H PHE 86 H PHE 86 -5.117 6.146 -17.311 689 HA PHE 86 HA PHE 86 -3.742 3.754 -17.961 690 1HB PHE 86 1HB PHE 86 -5.687 4.146 -16.295 691 2HB PHE 86 2HB PHE 86 -6.800 4.128 -17.705 692 HD1 PHE 86 HD1 PHE 86 -3.855 2.030 -16.515 693 HD2 PHE 86 HD2 PHE 86 -7.965 2.103 -17.762 694 HE1 PHE 86 HE1 PHE 86 -4.020 -0.390 -16.091 695 HE2 PHE 86 HE2 PHE 86 -8.125 -0.331 -17.361 696 HZ PHE 86 HZ PHE 86 -6.160 -1.582 -16.506 697 H GLY 87 H GLY 87 -6.066 5.704 -19.979 698 1HA GLY 87 1HA GLY 87 -6.355 3.838 -22.111 699 2HA GLY 87 2HA GLY 87 -6.496 5.636 -22.182 700 H ASP 88 H ASP 88 -3.826 6.457 -21.566 701 HA ASP 88 HA ASP 88 -2.258 5.934 -23.853 702 1HB ASP 88 1HB ASP 88 -1.189 6.723 -21.066 703 2HB ASP 88 2HB ASP 88 -0.349 6.949 -22.642 704 H PHE 89 H PHE 89 -1.942 4.574 -20.454 705 HA PHE 89 HA PHE 89 0.250 2.979 -20.808 706 1HB PHE 89 1HB PHE 89 -1.174 3.583 -18.680 707 2HB PHE 89 2HB PHE 89 -2.113 2.098 -19.041 708 HD1 PHE 89 HD1 PHE 89 -1.470 0.452 -17.535 709 HD2 PHE 89 HD2 PHE 89 1.579 3.078 -19.018 710 HE1 PHE 89 HE1 PHE 89 0.229 -0.743 -16.181 711 HE2 PHE 89 HE2 PHE 89 3.259 1.915 -17.646 712 HZ PHE 89 HZ PHE 89 2.594 -0.010 -16.230 713 H LEU 90 H LEU 90 -3.164 1.835 -21.436 714 HA LEU 90 HA LEU 90 -2.222 -0.790 -22.264 715 1HB LEU 90 1HB LEU 90 -4.972 0.538 -22.280 716 2HB LEU 90 2HB LEU 90 -4.680 -1.003 -23.150 717 HG LEU 90 HG LEU 90 -3.858 -2.072 -21.064 718 1HD1 LEU 90 1HD1 LEU 90 -4.967 0.427 -19.628 719 2HD1 LEU 90 2HD1 LEU 90 -4.482 -1.126 -18.854 720 3HD1 LEU 90 3HD1 LEU 90 -3.244 -0.111 -19.656 721 1HD2 LEU 90 1HD2 LEU 90 -6.127 -2.460 -20.126 722 2HD2 LEU 90 2HD2 LEU 90 -6.162 -2.413 -21.928 723 3HD2 LEU 90 3HD2 LEU 90 -6.748 -0.996 -20.976 724 H THR 91 H THR 91 -3.494 2.135 -24.198 725 HA THR 91 HA THR 91 -3.240 0.803 -26.681 726 HB THR 91 HB THR 91 -3.189 2.979 -27.798 727 HG1 THR 91 HG1 THR 91 -3.300 4.818 -26.588 728 1HG2 THR 91 1HG2 THR 91 -5.473 3.661 -27.040 729 2HG2 THR 91 2HG2 THR 91 -5.281 2.722 -25.516 730 3HG2 THR 91 3HG2 THR 91 -5.336 1.867 -27.099 731 H VAL 92 H VAL 92 -0.758 2.944 -25.008 732 HA VAL 92 HA VAL 92 1.252 2.545 -26.958 733 HB VAL 92 HB VAL 92 1.556 3.226 -24.006 734 1HG1 VAL 92 1HG1 VAL 92 3.821 4.125 -24.729 735 2HG1 VAL 92 2HG1 VAL 92 3.729 2.338 -24.854 736 3HG1 VAL 92 3HG1 VAL 92 3.592 3.352 -26.341 737 1HG2 VAL 92 1HG2 VAL 92 0.188 4.872 -25.353 738 2HG2 VAL 92 2HG2 VAL 92 1.497 4.945 -26.586 739 3HG2 VAL 92 3HG2 VAL 92 1.789 5.560 -24.918 740 H MET 93 H MET 93 0.988 0.698 -23.706 741 HA MET 93 HA MET 93 3.198 -0.934 -24.436 742 1HB MET 93 1HB MET 93 1.103 -1.431 -22.274 743 2HB MET 93 2HB MET 93 2.569 -2.442 -22.540 744 1HG MET 93 1HG MET 93 3.999 -0.383 -22.303 745 2HG MET 93 2HG MET 93 2.545 0.551 -21.828 746 1HE MET 93 1HE MET 93 5.479 -0.083 -20.395 747 2HE MET 93 2HE MET 93 4.943 0.029 -18.684 748 3HE MET 93 3HE MET 93 4.303 1.184 -19.904 749 H THR 94 H THR 94 -0.407 -1.734 -24.861 750 HA THR 94 HA THR 94 0.223 -4.330 -25.835 751 HB THR 94 HB THR 94 -1.947 -4.691 -26.653 752 HG1 THR 94 HG1 THR 94 -2.522 -2.768 -27.515 753 1HG2 THR 94 1HG2 THR 94 -1.992 -3.182 -23.944 754 2HG2 THR 94 2HG2 THR 94 -3.176 -4.415 -24.506 755 3HG2 THR 94 3HG2 THR 94 -1.468 -4.889 -24.190 756 H GLN 95 H GLN 95 -0.558 -1.273 -27.834 757 HA GLN 95 HA GLN 95 -0.067 -2.581 -30.285 758 1HB GLN 95 1HB GLN 95 -1.282 -0.396 -29.943 759 2HB GLN 95 2HB GLN 95 0.307 0.398 -29.687 760 1HG GLN 95 1HG GLN 95 0.986 -0.229 -32.036 761 2HG GLN 95 2HG GLN 95 -0.594 -1.077 -32.259 762 1HE2 GLN 95 1HE2 GLN 95 -0.196 0.782 -34.106 763 2HE2 GLN 95 2HE2 GLN 95 -1.061 2.255 -33.797 764 H LYS 96 H LYS 96 2.417 -0.911 -28.158 765 HA LYS 96 HA LYS 96 4.500 -1.206 -30.091 766 1HB LYS 96 1HB LYS 96 4.673 0.461 -28.288 767 2HB LYS 96 2HB LYS 96 4.625 -0.840 -27.055 768 1HG LYS 96 1HG LYS 96 6.921 0.010 -27.326 769 2HG LYS 96 2HG LYS 96 6.774 -1.705 -27.773 770 1HD LYS 96 1HD LYS 96 6.513 -0.674 -30.286 771 2HD LYS 96 2HD LYS 96 7.322 0.733 -29.534 772 1HE LYS 96 1HE LYS 96 8.927 -0.841 -30.660 773 2HE LYS 96 2HE LYS 96 9.257 -0.782 -28.879 774 1HZ LYS 96 1HZ LYS 96 8.498 -2.856 -28.572 775 2HZ LYS 96 2HZ LYS 96 9.078 -3.036 -30.161 776 3HZ LYS 96 3HZ LYS 96 7.406 -2.841 -29.878 777 H MET 97 H MET 97 3.631 -3.403 -27.230 778 HA MET 97 HA MET 97 5.850 -5.152 -27.816 779 1HB MET 97 1HB MET 97 3.427 -5.524 -26.010 780 2HB MET 97 2HB MET 97 4.838 -6.647 -26.070 781 1HG MET 97 1HG MET 97 6.350 -4.818 -25.343 782 2HG MET 97 2HG MET 97 5.004 -3.650 -25.370 783 1HE MET 97 1HE MET 97 5.333 -2.726 -23.126 784 2HE MET 97 2HE MET 97 6.824 -3.721 -23.026 785 3HE MET 97 3HE MET 97 5.679 -3.675 -21.639 786 H SER 98 H SER 98 2.206 -5.828 -28.113 787 HA SER 98 HA SER 98 2.783 -8.045 -29.915 788 1HB SER 98 1HB SER 98 0.347 -8.389 -30.023 789 2HB SER 98 2HB SER 98 0.959 -8.412 -28.331 790 HG SER 98 HG SER 98 0.090 -6.032 -29.525 Start of MODEL 18 1 1H MET 1 1H MET 1 20.291 -34.029 -30.078 2 2H MET 1 2H MET 1 18.959 -33.015 -30.335 3 3H MET 1 3H MET 1 19.866 -33.579 -31.663 4 HA MET 1 HA MET 1 21.785 -32.369 -30.823 5 1HB MET 1 1HB MET 1 19.282 -30.602 -31.186 6 2HB MET 1 2HB MET 1 20.978 -30.029 -31.303 7 1HG MET 1 1HG MET 1 21.372 -31.597 -33.224 8 2HG MET 1 2HG MET 1 19.649 -32.090 -33.165 9 1HE MET 1 1HE MET 1 19.418 -31.592 -35.669 10 2HE MET 1 2HE MET 1 21.146 -31.097 -35.725 11 3HE MET 1 3HE MET 1 19.887 -30.053 -36.465 12 H ALA 2 H ALA 2 22.845 -31.331 -29.007 13 HA ALA 2 HA ALA 2 21.332 -31.128 -26.528 14 1HB ALA 2 1HB ALA 2 23.508 -30.574 -25.468 15 2HB ALA 2 2HB ALA 2 23.631 -32.065 -26.467 16 3HB ALA 2 3HB ALA 2 24.284 -30.509 -27.095 17 H SER 3 H SER 3 19.869 -29.318 -27.421 18 HA SER 3 HA SER 3 20.588 -26.778 -26.362 19 1HB SER 3 1HB SER 3 20.532 -27.057 -29.431 20 2HB SER 3 2HB SER 3 20.160 -25.490 -28.614 21 HG SER 3 HG SER 3 22.519 -26.946 -28.090 22 H ASN 4 H ASN 4 18.595 -26.083 -25.530 23 HA ASN 4 HA ASN 4 16.163 -27.335 -26.525 24 1HB ASN 4 1HB ASN 4 16.702 -27.064 -24.056 25 2HB ASN 4 2HB ASN 4 16.491 -25.289 -24.248 26 1HD2 ASN 4 1HD2 ASN 4 14.829 -25.804 -22.476 27 2HD2 ASN 4 2HD2 ASN 4 13.235 -26.278 -22.949 28 H PHE 5 H PHE 5 16.074 -26.278 -28.689 29 HA PHE 5 HA PHE 5 16.242 -23.506 -29.043 30 1HB PHE 5 1HB PHE 5 14.856 -25.523 -30.919 31 2HB PHE 5 2HB PHE 5 15.405 -23.868 -31.377 32 HD1 PHE 5 HD1 PHE 5 17.927 -23.325 -31.060 33 HD2 PHE 5 HD2 PHE 5 16.345 -27.325 -31.170 34 HE1 PHE 5 HE1 PHE 5 20.143 -24.188 -31.738 35 HE2 PHE 5 HE2 PHE 5 18.560 -28.180 -31.841 36 HZ PHE 5 HZ PHE 5 20.462 -26.615 -32.145 37 H LYS 6 H LYS 6 14.793 -21.792 -28.838 38 HA LYS 6 HA LYS 6 11.910 -22.278 -29.168 39 1HB LYS 6 1HB LYS 6 13.152 -21.714 -26.621 40 2HB LYS 6 2HB LYS 6 12.341 -20.209 -27.099 41 1HG LYS 6 1HG LYS 6 10.874 -21.573 -25.693 42 2HG LYS 6 2HG LYS 6 10.179 -21.350 -27.332 43 1HD LYS 6 1HD LYS 6 9.771 -23.637 -26.542 44 2HD LYS 6 2HD LYS 6 10.838 -23.637 -27.976 45 1HE LYS 6 1HE LYS 6 12.839 -23.814 -26.209 46 2HE LYS 6 2HE LYS 6 11.544 -24.281 -25.039 47 1HZ LYS 6 1HZ LYS 6 12.586 -26.157 -26.123 48 2HZ LYS 6 2HZ LYS 6 12.164 -25.548 -27.656 49 3HZ LYS 6 3HZ LYS 6 10.941 -26.067 -26.581 50 H LYS 7 H LYS 7 11.885 -21.275 -31.258 51 HA LYS 7 HA LYS 7 11.952 -18.364 -31.164 52 1HB LYS 7 1HB LYS 7 14.292 -18.979 -31.868 53 2HB LYS 7 2HB LYS 7 13.617 -19.914 -33.241 54 1HG LYS 7 1HG LYS 7 12.653 -17.797 -34.194 55 2HG LYS 7 2HG LYS 7 13.279 -16.876 -32.783 56 1HD LYS 7 1HD LYS 7 15.618 -17.490 -33.419 57 2HD LYS 7 2HD LYS 7 14.990 -18.435 -34.821 58 1HE LYS 7 1HE LYS 7 14.017 -16.334 -35.814 59 2HE LYS 7 2HE LYS 7 14.632 -15.380 -34.406 60 1HZ LYS 7 1HZ LYS 7 16.067 -15.223 -36.305 61 2HZ LYS 7 2HZ LYS 7 16.868 -16.004 -35.030 62 3HZ LYS 7 3HZ LYS 7 16.292 -16.905 -36.350 63 H ALA 8 H ALA 8 9.673 -18.285 -31.627 64 HA ALA 8 HA ALA 8 8.593 -19.879 -33.828 65 1HB ALA 8 1HB ALA 8 7.232 -19.643 -31.767 66 2HB ALA 8 2HB ALA 8 7.204 -17.855 -31.988 67 3HB ALA 8 3HB ALA 8 6.389 -18.929 -33.188 68 H ASN 9 H ASN 9 9.950 -18.755 -35.564 69 HA ASN 9 HA ASN 9 8.552 -16.327 -36.557 70 1HB ASN 9 1HB ASN 9 11.591 -16.812 -36.652 71 2HB ASN 9 2HB ASN 9 10.738 -15.531 -37.589 72 1HD2 ASN 9 1HD2 ASN 9 9.087 -14.187 -36.035 73 2HD2 ASN 9 2HD2 ASN 9 9.827 -13.606 -34.582 74 H MET 10 H MET 10 7.240 -17.813 -37.887 75 HA MET 10 HA MET 10 8.555 -18.313 -40.439 76 1HB MET 10 1HB MET 10 8.778 -20.509 -39.239 77 2HB MET 10 2HB MET 10 7.004 -20.580 -39.039 78 1HG MET 10 1HG MET 10 6.778 -20.583 -41.576 79 2HG MET 10 2HG MET 10 8.562 -20.518 -41.705 80 1HE MET 10 1HE MET 10 7.662 -24.070 -43.007 81 2HE MET 10 2HE MET 10 8.488 -22.506 -43.318 82 3HE MET 10 3HE MET 10 6.697 -22.563 -43.170 83 H ALA 11 H ALA 11 5.296 -19.549 -39.293 84 HA ALA 11 HA ALA 11 4.057 -17.969 -41.423 85 1HB ALA 11 1HB ALA 11 3.454 -20.359 -41.288 86 2HB ALA 11 2HB ALA 11 2.867 -20.129 -39.603 87 3HB ALA 11 3HB ALA 11 2.017 -19.322 -40.975 88 H SER 12 H SER 12 4.086 -15.777 -40.526 89 HA SER 12 HA SER 12 3.153 -15.068 -37.985 90 1HB SER 12 1HB SER 12 2.881 -12.725 -39.060 91 2HB SER 12 2HB SER 12 4.502 -13.499 -39.157 92 HG SER 12 HG SER 12 3.822 -12.627 -41.137 93 H SER 13 H SER 13 1.172 -14.775 -41.101 94 HA SER 13 HA SER 13 -1.274 -14.500 -39.532 95 1HB SER 13 1HB SER 13 -2.397 -14.546 -41.826 96 2HB SER 13 2HB SER 13 -1.195 -13.229 -41.574 97 HG SER 13 HG SER 13 -0.852 -15.657 -42.971 98 H SER 14 H SER 14 -0.716 -16.721 -38.376 99 HA SER 14 HA SER 14 -1.363 -19.109 -39.930 100 1HB SER 14 1HB SER 14 -0.753 -18.706 -36.947 101 2HB SER 14 2HB SER 14 -1.259 -20.292 -37.643 102 HG SER 14 HG SER 14 1.060 -18.793 -38.277 103 H GLN 15 H GLN 15 -3.572 -18.223 -40.591 104 HA GLN 15 HA GLN 15 -5.669 -18.595 -38.505 105 1HB GLN 15 1HB GLN 15 -5.595 -17.012 -41.117 106 2HB GLN 15 2HB GLN 15 -7.146 -17.532 -40.391 107 1HG GLN 15 1HG GLN 15 -6.781 -15.279 -39.708 108 2HG GLN 15 2HG GLN 15 -6.637 -16.336 -38.267 109 1HE2 GLN 15 1HE2 GLN 15 -4.627 -16.374 -37.132 110 2HE2 GLN 15 2HE2 GLN 15 -3.298 -15.341 -37.519 111 H ARG 16 H ARG 16 -5.447 -21.002 -38.647 112 HA ARG 16 HA ARG 16 -5.888 -22.223 -41.252 113 1HB ARG 16 1HB ARG 16 -4.138 -22.978 -39.585 114 2HB ARG 16 2HB ARG 16 -5.461 -23.665 -38.595 115 1HG ARG 16 1HG ARG 16 -6.123 -25.129 -40.541 116 2HG ARG 16 2HG ARG 16 -4.801 -24.423 -41.527 117 1HD ARG 16 1HD ARG 16 -4.438 -26.023 -38.891 118 2HD ARG 16 2HD ARG 16 -4.193 -26.673 -40.573 119 HE ARG 16 HE ARG 16 -2.599 -24.329 -40.336 120 1HH1 ARG 16 1HH1 ARG 16 -2.765 -27.611 -38.901 121 2HH1 ARG 16 2HH1 ARG 16 -1.084 -27.724 -38.583 122 1HH2 ARG 16 1HH2 ARG 16 -0.281 -24.486 -39.884 123 2HH2 ARG 16 2HH2 ARG 16 0.364 -25.897 -39.157 124 H LYS 17 H LYS 17 -8.227 -21.287 -41.325 125 HA LYS 17 HA LYS 17 -10.013 -23.512 -40.841 126 1HB LYS 17 1HB LYS 17 -10.171 -22.107 -38.713 127 2HB LYS 17 2HB LYS 17 -10.793 -20.754 -39.690 128 1HG LYS 17 1HG LYS 17 -12.729 -22.321 -40.407 129 2HG LYS 17 2HG LYS 17 -12.088 -23.535 -39.264 130 1HD LYS 17 1HD LYS 17 -13.087 -20.683 -38.594 131 2HD LYS 17 2HD LYS 17 -14.014 -22.198 -38.353 132 1HE LYS 17 1HE LYS 17 -11.411 -21.395 -36.864 133 2HE LYS 17 2HE LYS 17 -13.087 -21.391 -36.197 134 1HZ LYS 17 1HZ LYS 17 -11.590 -23.774 -37.159 135 2HZ LYS 17 2HZ LYS 17 -11.865 -23.332 -35.544 136 3HZ LYS 17 3HZ LYS 17 -13.170 -23.774 -36.534 137 H ARG 18 H ARG 18 -11.674 -20.465 -41.352 138 HA ARG 18 HA ARG 18 -10.955 -20.093 -44.116 139 1HB ARG 18 1HB ARG 18 -12.750 -21.841 -44.378 140 2HB ARG 18 2HB ARG 18 -13.884 -20.826 -43.438 141 1HG ARG 18 1HG ARG 18 -13.698 -19.037 -45.229 142 2HG ARG 18 2HG ARG 18 -12.559 -20.102 -46.135 143 1HD ARG 18 1HD ARG 18 -14.372 -21.827 -46.403 144 2HD ARG 18 2HD ARG 18 -15.511 -20.771 -45.453 145 HE ARG 18 HE ARG 18 -14.382 -19.256 -47.630 146 1HH1 ARG 18 1HH1 ARG 18 -16.670 -21.958 -47.055 147 2HH1 ARG 18 2HH1 ARG 18 -17.616 -21.655 -48.453 148 1HH2 ARG 18 1HH2 ARG 18 -15.693 -18.844 -49.552 149 2HH2 ARG 18 2HH2 ARG 18 -17.044 -19.837 -49.909 150 H MET 19 H MET 19 -14.077 -19.112 -42.456 151 HA MET 19 HA MET 19 -13.226 -16.330 -42.327 152 1HB MET 19 1HB MET 19 -15.701 -17.696 -41.124 153 2HB MET 19 2HB MET 19 -15.403 -15.924 -41.183 154 1HG MET 19 1HG MET 19 -15.380 -16.011 -43.682 155 2HG MET 19 2HG MET 19 -15.679 -17.777 -43.635 156 1HE MET 19 1HE MET 19 -17.316 -15.780 -45.350 157 2HE MET 19 2HE MET 19 -18.980 -16.407 -45.105 158 3HE MET 19 3HE MET 19 -17.606 -17.554 -45.265 159 H SER 20 H SER 20 -11.585 -15.935 -40.840 160 HA SER 20 HA SER 20 -11.611 -17.389 -38.247 161 1HB SER 20 1HB SER 20 -9.211 -16.283 -39.790 162 2HB SER 20 2HB SER 20 -9.173 -17.255 -38.266 163 HG SER 20 HG SER 20 -10.028 -18.003 -40.865 164 HA PRO 21 HA PRO 21 -11.993 -12.960 -36.841 165 1HB PRO 21 1HB PRO 21 -12.521 -14.528 -34.243 166 2HB PRO 21 2HB PRO 21 -13.323 -12.999 -34.792 167 1HG PRO 21 1HG PRO 21 -14.612 -15.381 -35.104 168 2HG PRO 21 2HG PRO 21 -14.585 -14.207 -36.487 169 1HD PRO 21 1HD PRO 21 -12.821 -16.694 -36.095 170 2HD PRO 21 2HD PRO 21 -13.667 -16.094 -37.596 171 H LYS 22 H LYS 22 -10.466 -11.555 -35.867 172 HA LYS 22 HA LYS 22 -8.127 -12.843 -34.563 173 1HB LYS 22 1HB LYS 22 -8.104 -10.492 -36.517 174 2HB LYS 22 2HB LYS 22 -6.689 -11.155 -35.623 175 1HG LYS 22 1HG LYS 22 -7.109 -13.407 -36.741 176 2HG LYS 22 2HG LYS 22 -8.435 -12.653 -37.684 177 1HD LYS 22 1HD LYS 22 -6.503 -12.827 -39.079 178 2HD LYS 22 2HD LYS 22 -6.790 -11.082 -38.749 179 1HE LYS 22 1HE LYS 22 -4.883 -10.982 -37.193 180 2HE LYS 22 2HE LYS 22 -4.739 -12.787 -37.169 181 1HZ LYS 22 1HZ LYS 22 -3.095 -11.693 -38.560 182 2HZ LYS 22 2HZ LYS 22 -4.081 -12.781 -39.423 183 3HZ LYS 22 3HZ LYS 22 -4.318 -11.097 -39.578 184 HA PRO 23 HA PRO 23 -9.719 -9.414 -31.811 185 1HB PRO 23 1HB PRO 23 -9.470 -10.600 -29.292 186 2HB PRO 23 2HB PRO 23 -10.848 -10.914 -30.416 187 1HG PRO 23 1HG PRO 23 -8.298 -12.586 -30.071 188 2HG PRO 23 2HG PRO 23 -10.018 -13.161 -30.046 189 1HD PRO 23 1HD PRO 23 -8.448 -13.304 -32.330 190 2HD PRO 23 2HD PRO 23 -10.217 -12.875 -32.447 191 H GLU 24 H GLU 24 -8.445 -7.732 -31.503 192 HA GLU 24 HA GLU 24 -5.625 -8.013 -30.864 193 1HB GLU 24 1HB GLU 24 -5.540 -5.523 -31.254 194 2HB GLU 24 2HB GLU 24 -5.999 -6.527 -32.658 195 1HG GLU 24 1HG GLU 24 -8.113 -5.094 -30.921 196 2HG GLU 24 2HG GLU 24 -7.288 -4.315 -32.313 197 H LEU 25 H LEU 25 -5.847 -8.791 -28.789 198 HA LEU 25 HA LEU 25 -5.207 -8.232 -26.535 199 1HB LEU 25 1HB LEU 25 -7.582 -6.298 -26.553 200 2HB LEU 25 2HB LEU 25 -6.910 -6.976 -25.041 201 HG LEU 25 HG LEU 25 -5.220 -5.331 -26.999 202 1HD1 LEU 25 1HD1 LEU 25 -7.112 -3.955 -26.170 203 2HD1 LEU 25 2HD1 LEU 25 -6.717 -4.401 -24.465 204 3HD1 LEU 25 3HD1 LEU 25 -5.557 -3.417 -25.438 205 1HD2 LEU 25 1HD2 LEU 25 -3.753 -5.066 -24.923 206 2HD2 LEU 25 2HD2 LEU 25 -4.799 -6.255 -24.082 207 3HD2 LEU 25 3HD2 LEU 25 -3.848 -6.754 -25.534 208 H THR 26 H THR 26 -5.711 -10.159 -25.515 209 HA THR 26 HA THR 26 -8.591 -10.918 -25.300 210 HB THR 26 HB THR 26 -7.845 -13.290 -25.138 211 HG1 THR 26 HG1 THR 26 -5.313 -12.155 -25.813 212 1HG2 THR 26 1HG2 THR 26 -6.884 -11.858 -27.708 213 2HG2 THR 26 2HG2 THR 26 -8.586 -12.296 -27.319 214 3HG2 THR 26 3HG2 THR 26 -7.350 -13.587 -27.534 215 H GLU 27 H GLU 27 -7.904 -13.011 -23.302 216 HA GLU 27 HA GLU 27 -8.421 -11.375 -21.090 217 1HB GLU 27 1HB GLU 27 -9.390 -13.663 -21.564 218 2HB GLU 27 2HB GLU 27 -7.826 -14.375 -21.067 219 1HG GLU 27 1HG GLU 27 -9.475 -14.513 -19.245 220 2HG GLU 27 2HG GLU 27 -8.147 -13.406 -18.746 221 H GLU 28 H GLU 28 -5.449 -13.463 -21.648 222 HA GLU 28 HA GLU 28 -4.055 -12.850 -19.316 223 1HB GLU 28 1HB GLU 28 -3.464 -14.578 -21.005 224 2HB GLU 28 2HB GLU 28 -2.922 -13.292 -22.133 225 1HG GLU 28 1HG GLU 28 -1.068 -12.673 -20.583 226 2HG GLU 28 2HG GLU 28 -1.705 -13.812 -19.333 227 H GLN 29 H GLN 29 -3.741 -11.028 -22.496 228 HA GLN 29 HA GLN 29 -2.042 -8.990 -21.600 229 1HB GLN 29 1HB GLN 29 -4.250 -8.915 -23.714 230 2HB GLN 29 2HB GLN 29 -2.918 -7.708 -23.590 231 1HG GLN 29 1HG GLN 29 -1.258 -9.200 -24.354 232 2HG GLN 29 2HG GLN 29 -2.156 -10.667 -23.853 233 1HE2 GLN 29 1HE2 GLN 29 -1.476 -8.632 -26.589 234 2HE2 GLN 29 2HE2 GLN 29 -2.684 -9.277 -27.642 235 H LYS 30 H LYS 30 -5.684 -8.870 -21.750 236 HA LYS 30 HA LYS 30 -6.246 -6.401 -20.614 237 1HB LYS 30 1HB LYS 30 -7.930 -7.893 -21.601 238 2HB LYS 30 2HB LYS 30 -7.534 -9.158 -20.404 239 1HG LYS 30 1HG LYS 30 -8.514 -7.638 -18.581 240 2HG LYS 30 2HG LYS 30 -9.143 -6.588 -19.900 241 1HD LYS 30 1HD LYS 30 -10.476 -8.478 -20.788 242 2HD LYS 30 2HD LYS 30 -9.530 -9.631 -19.787 243 1HE LYS 30 1HE LYS 30 -10.508 -8.479 -17.685 244 2HE LYS 30 2HE LYS 30 -11.703 -7.684 -18.795 245 1HZ LYS 30 1HZ LYS 30 -12.521 -9.768 -17.872 246 2HZ LYS 30 2HZ LYS 30 -12.307 -9.937 -19.554 247 3HZ LYS 30 3HZ LYS 30 -11.169 -10.603 -18.494 248 H GLN 31 H GLN 31 -5.866 -9.542 -18.658 249 HA GLN 31 HA GLN 31 -6.019 -8.137 -16.185 250 1HB GLN 31 1HB GLN 31 -5.362 -10.120 -15.013 251 2HB GLN 31 2HB GLN 31 -6.609 -10.487 -16.251 252 1HG GLN 31 1HG GLN 31 -4.825 -11.387 -17.778 253 2HG GLN 31 2HG GLN 31 -3.581 -11.095 -16.516 254 1HE2 GLN 31 1HE2 GLN 31 -4.155 -12.095 -14.265 255 2HE2 GLN 31 2HE2 GLN 31 -4.851 -13.683 -14.282 256 H GLU 32 H GLU 32 -2.946 -9.125 -18.065 257 HA GLU 32 HA GLU 32 -1.107 -8.319 -16.139 258 1HB GLU 32 1HB GLU 32 -0.980 -8.003 -19.177 259 2HB GLU 32 2HB GLU 32 0.426 -7.698 -18.095 260 1HG GLU 32 1HG GLU 32 0.417 -10.024 -17.288 261 2HG GLU 32 2HG GLU 32 -1.047 -10.408 -18.256 262 H ILE 33 H ILE 33 -2.567 -6.072 -18.630 263 HA ILE 33 HA ILE 33 -1.127 -3.797 -17.615 264 HB ILE 33 HB ILE 33 -3.574 -3.967 -19.440 265 1HG1 ILE 33 1HG1 ILE 33 -1.810 -5.393 -20.390 266 2HG1 ILE 33 2HG1 ILE 33 -1.991 -3.899 -21.341 267 1HG2 ILE 33 1HG2 ILE 33 -1.422 -1.767 -19.241 268 2HG2 ILE 33 2HG2 ILE 33 -2.811 -1.803 -20.377 269 3HG2 ILE 33 3HG2 ILE 33 -3.101 -1.627 -18.615 270 1HD1 ILE 33 1HD1 ILE 33 0.264 -4.497 -19.309 271 2HD1 ILE 33 2HD1 ILE 33 0.089 -2.960 -20.238 272 3HD1 ILE 33 3HD1 ILE 33 0.393 -4.511 -21.099 273 H ARG 34 H ARG 34 -4.684 -4.852 -17.065 274 HA ARG 34 HA ARG 34 -5.144 -2.577 -15.360 275 1HB ARG 34 1HB ARG 34 -7.048 -3.864 -16.431 276 2HB ARG 34 2HB ARG 34 -6.616 -5.255 -15.392 277 1HG ARG 34 1HG ARG 34 -8.380 -4.380 -14.217 278 2HG ARG 34 2HG ARG 34 -7.040 -3.587 -13.358 279 1HD ARG 34 1HD ARG 34 -8.993 -2.385 -15.425 280 2HD ARG 34 2HD ARG 34 -8.864 -1.992 -13.672 281 HE ARG 34 HE ARG 34 -6.859 -1.285 -15.833 282 1HH1 ARG 34 1HH1 ARG 34 -8.134 -0.486 -12.510 283 2HH1 ARG 34 2HH1 ARG 34 -7.732 1.159 -12.657 284 1HH2 ARG 34 1HH2 ARG 34 -6.234 0.961 -15.889 285 2HH2 ARG 34 2HH2 ARG 34 -6.563 1.981 -14.549 286 H GLU 35 H GLU 35 -4.135 -6.091 -14.484 287 HA GLU 35 HA GLU 35 -4.085 -5.725 -11.733 288 1HB GLU 35 1HB GLU 35 -3.731 -7.868 -12.891 289 2HB GLU 35 2HB GLU 35 -2.103 -7.360 -13.412 290 1HG GLU 35 1HG GLU 35 -2.833 -7.370 -10.415 291 2HG GLU 35 2HG GLU 35 -2.585 -8.936 -11.265 292 H ALA 36 H ALA 36 -1.243 -4.867 -13.989 293 HA ALA 36 HA ALA 36 0.267 -3.720 -11.876 294 1HB ALA 36 1HB ALA 36 0.306 -3.011 -14.868 295 2HB ALA 36 2HB ALA 36 1.580 -2.564 -13.666 296 3HB ALA 36 3HB ALA 36 1.280 -4.292 -14.067 297 H PHE 37 H PHE 37 -1.810 -1.875 -14.339 298 HA PHE 37 HA PHE 37 -1.256 0.634 -13.158 299 1HB PHE 37 1HB PHE 37 -2.237 0.062 -15.532 300 2HB PHE 37 2HB PHE 37 -3.843 0.064 -14.734 301 HD1 PHE 37 HD1 PHE 37 -1.141 2.037 -16.111 302 HD2 PHE 37 HD2 PHE 37 -4.518 2.268 -13.458 303 HE1 PHE 37 HE1 PHE 37 -1.180 4.478 -16.375 304 HE2 PHE 37 HE2 PHE 37 -4.496 4.731 -13.662 305 HZ PHE 37 HZ PHE 37 -2.801 5.834 -15.099 306 H ASP 38 H ASP 38 -4.227 -1.509 -12.643 307 HA ASP 38 HA ASP 38 -5.505 0.181 -10.757 308 1HB ASP 38 1HB ASP 38 -6.282 -1.972 -12.094 309 2HB ASP 38 2HB ASP 38 -5.667 -2.888 -10.689 310 H LEU 39 H LEU 39 -2.846 -2.381 -10.180 311 HA LEU 39 HA LEU 39 -2.911 -2.300 -7.375 312 1HB LEU 39 1HB LEU 39 -0.653 -2.797 -9.340 313 2HB LEU 39 2HB LEU 39 -0.240 -2.566 -7.614 314 HG LEU 39 HG LEU 39 -2.237 -4.676 -8.584 315 1HD1 LEU 39 1HD1 LEU 39 -0.395 -6.327 -8.242 316 2HD1 LEU 39 2HD1 LEU 39 0.012 -5.138 -9.529 317 3HD1 LEU 39 3HD1 LEU 39 0.758 -4.985 -7.892 318 1HD2 LEU 39 1HD2 LEU 39 -1.860 -5.693 -6.328 319 2HD2 LEU 39 2HD2 LEU 39 -0.826 -4.291 -5.864 320 3HD2 LEU 39 3HD2 LEU 39 -2.581 -4.053 -6.199 321 H PHE 40 H PHE 40 -1.083 -0.018 -9.576 322 HA PHE 40 HA PHE 40 -0.315 1.587 -7.264 323 1HB PHE 40 1HB PHE 40 0.177 2.092 -10.237 324 2HB PHE 40 2HB PHE 40 0.882 3.050 -8.865 325 HD1 PHE 40 HD1 PHE 40 2.063 1.629 -6.973 326 HD2 PHE 40 HD2 PHE 40 1.344 0.130 -10.937 327 HE1 PHE 40 HE1 PHE 40 3.757 -0.131 -6.618 328 HE2 PHE 40 HE2 PHE 40 3.012 -1.648 -10.566 329 HZ PHE 40 HZ PHE 40 4.231 -1.782 -8.410 330 H ASP 41 H ASP 41 -2.734 2.088 -9.986 331 HA ASP 41 HA ASP 41 -3.785 4.451 -8.621 332 1HB ASP 41 1HB ASP 41 -3.678 4.363 -11.137 333 2HB ASP 41 2HB ASP 41 -4.911 3.058 -11.111 334 H ALA 42 H ALA 42 -4.275 3.277 -6.577 335 HA ALA 42 HA ALA 42 -5.938 0.987 -6.525 336 1HB ALA 42 1HB ALA 42 -4.344 1.540 -4.698 337 2HB ALA 42 2HB ALA 42 -6.006 1.284 -4.057 338 3HB ALA 42 3HB ALA 42 -5.358 2.959 -4.240 339 H ASP 43 H ASP 43 -6.848 4.427 -5.851 340 HA ASP 43 HA ASP 43 -9.585 3.813 -5.211 341 1HB ASP 43 1HB ASP 43 -8.223 6.491 -5.869 342 2HB ASP 43 2HB ASP 43 -9.906 6.319 -5.242 343 H GLY 44 H GLY 44 -7.969 4.618 -8.347 344 1HA GLY 44 1HA GLY 44 -8.910 4.472 -10.416 345 2HA GLY 44 2HA GLY 44 -10.568 4.602 -9.721 346 H THR 45 H THR 45 -7.516 6.485 -10.251 347 HA THR 45 HA THR 45 -9.156 8.951 -10.387 348 HB THR 45 HB THR 45 -8.011 8.649 -8.203 349 HG1 THR 45 HG1 THR 45 -7.435 10.864 -9.847 350 1HG2 THR 45 1HG2 THR 45 -5.846 7.654 -9.018 351 2HG2 THR 45 2HG2 THR 45 -5.414 9.217 -9.800 352 3HG2 THR 45 3HG2 THR 45 -5.594 9.118 -8.013 353 H GLY 46 H GLY 46 -6.157 7.419 -12.010 354 1HA GLY 46 1HA GLY 46 -6.523 8.544 -14.364 355 2HA GLY 46 2HA GLY 46 -5.853 9.962 -13.485 356 H THR 47 H THR 47 -3.645 9.416 -12.273 357 HA THR 47 HA THR 47 -1.965 8.216 -14.379 358 HB THR 47 HB THR 47 -0.182 9.840 -13.790 359 HG1 THR 47 HG1 THR 47 -0.584 10.694 -11.931 360 1HG2 THR 47 1HG2 THR 47 -1.266 11.713 -15.016 361 2HG2 THR 47 2HG2 THR 47 -1.748 10.136 -15.737 362 3HG2 THR 47 3HG2 THR 47 -2.902 11.035 -14.683 363 H ILE 48 H ILE 48 -0.220 7.012 -13.986 364 HA ILE 48 HA ILE 48 0.499 6.317 -11.176 365 HB ILE 48 HB ILE 48 -0.221 4.293 -12.374 366 1HG1 ILE 48 1HG1 ILE 48 2.844 4.537 -12.099 367 2HG1 ILE 48 2HG1 ILE 48 1.668 4.035 -10.845 368 1HG2 ILE 48 1HG2 ILE 48 1.893 4.882 -14.541 369 2HG2 ILE 48 2HG2 ILE 48 0.676 3.563 -14.505 370 3HG2 ILE 48 3HG2 ILE 48 0.151 5.258 -14.732 371 1HD1 ILE 48 1HD1 ILE 48 2.420 2.510 -13.440 372 2HD1 ILE 48 2HD1 ILE 48 1.090 2.012 -12.328 373 3HD1 ILE 48 3HD1 ILE 48 2.801 2.049 -11.748 374 H ASP 49 H ASP 49 2.442 7.299 -10.617 375 HA ASP 49 HA ASP 49 3.809 8.822 -12.735 376 1HB ASP 49 1HB ASP 49 3.729 9.239 -9.711 377 2HB ASP 49 2HB ASP 49 4.770 10.193 -10.831 378 H VAL 50 H VAL 50 6.206 9.200 -12.556 379 HA VAL 50 HA VAL 50 7.535 6.963 -13.157 380 HB VAL 50 HB VAL 50 9.751 8.178 -12.700 381 1HG1 VAL 50 1HG1 VAL 50 9.245 9.678 -14.663 382 2HG1 VAL 50 2HG1 VAL 50 8.688 7.980 -14.887 383 3HG1 VAL 50 3HG1 VAL 50 7.496 9.264 -14.497 384 1HG2 VAL 50 1HG2 VAL 50 9.530 10.604 -12.250 385 2HG2 VAL 50 2HG2 VAL 50 7.753 10.465 -12.046 386 3HG2 VAL 50 3HG2 VAL 50 8.861 9.673 -10.864 387 H LYS 51 H LYS 51 7.542 7.925 -9.616 388 HA LYS 51 HA LYS 51 9.471 5.993 -8.828 389 1HB LYS 51 1HB LYS 51 6.982 6.708 -7.197 390 2HB LYS 51 2HB LYS 51 8.567 6.165 -6.578 391 1HG LYS 51 1HG LYS 51 9.545 8.364 -7.054 392 2HG LYS 51 2HG LYS 51 8.154 8.833 -8.090 393 1HD LYS 51 1HD LYS 51 6.614 8.594 -6.119 394 2HD LYS 51 2HD LYS 51 8.061 8.456 -5.055 395 1HE LYS 51 1HE LYS 51 8.798 10.751 -5.732 396 2HE LYS 51 2HE LYS 51 7.486 10.831 -6.977 397 1HZ LYS 51 1HZ LYS 51 7.074 10.631 -4.038 398 2HZ LYS 51 2HZ LYS 51 6.910 12.025 -4.995 399 3HZ LYS 51 3HZ LYS 51 5.864 10.712 -5.228 400 H GLU 52 H GLU 52 5.865 5.715 -8.655 401 HA GLU 52 HA GLU 52 5.687 2.929 -8.236 402 1HB GLU 52 1HB GLU 52 3.484 4.563 -9.602 403 2HB GLU 52 2HB GLU 52 3.347 3.165 -8.506 404 1HG GLU 52 1HG GLU 52 2.694 4.860 -7.068 405 2HG GLU 52 2HG GLU 52 4.461 4.875 -6.715 406 H LEU 53 H LEU 53 5.430 4.878 -11.365 407 HA LEU 53 HA LEU 53 4.933 2.661 -13.049 408 1HB LEU 53 1HB LEU 53 4.675 5.099 -13.654 409 2HB LEU 53 2HB LEU 53 6.459 5.232 -13.698 410 HG LEU 53 HG LEU 53 6.521 3.553 -15.572 411 1HD1 LEU 53 1HD1 LEU 53 3.440 3.743 -15.485 412 2HD1 LEU 53 2HD1 LEU 53 4.402 2.994 -16.803 413 3HD1 LEU 53 3HD1 LEU 53 4.432 2.271 -15.161 414 1HD2 LEU 53 1HD2 LEU 53 6.544 5.984 -16.029 415 2HD2 LEU 53 2HD2 LEU 53 5.634 5.107 -17.314 416 3HD2 LEU 53 3HD2 LEU 53 4.743 6.024 -16.040 417 H LYS 54 H LYS 54 8.234 3.971 -11.961 418 HA LYS 54 HA LYS 54 9.798 2.219 -13.486 419 1HB LYS 54 1HB LYS 54 10.655 4.162 -12.188 420 2HB LYS 54 2HB LYS 54 10.383 3.260 -10.663 421 1HG LYS 54 1HG LYS 54 12.090 1.560 -11.384 422 2HG LYS 54 2HG LYS 54 12.265 2.408 -12.962 423 1HD LYS 54 1HD LYS 54 13.049 4.463 -11.763 424 2HD LYS 54 2HD LYS 54 12.900 3.598 -10.190 425 1HE LYS 54 1HE LYS 54 14.648 1.937 -10.930 426 2HE LYS 54 2HE LYS 54 14.782 2.788 -12.523 427 1HZ LYS 54 1HZ LYS 54 16.506 3.439 -11.001 428 2HZ LYS 54 2HZ LYS 54 15.374 3.965 -9.852 429 3HZ LYS 54 3HZ LYS 54 15.500 4.759 -11.348 430 H VAL 55 H VAL 55 8.564 1.546 -10.046 431 HA VAL 55 HA VAL 55 9.530 -1.156 -10.127 432 HB VAL 55 HB VAL 55 8.006 -1.675 -8.257 433 1HG1 VAL 55 1HG1 VAL 55 10.345 -0.825 -7.976 434 2HG1 VAL 55 2HG1 VAL 55 9.263 -0.226 -6.668 435 3HG1 VAL 55 3HG1 VAL 55 9.744 0.877 -8.006 436 1HG2 VAL 55 1HG2 VAL 55 6.135 -0.079 -8.850 437 2HG2 VAL 55 2HG2 VAL 55 7.226 1.314 -8.512 438 3HG2 VAL 55 3HG2 VAL 55 6.754 0.196 -7.187 439 H ALA 56 H ALA 56 6.440 0.242 -11.359 440 HA ALA 56 HA ALA 56 5.213 -2.212 -12.057 441 1HB ALA 56 1HB ALA 56 3.800 -0.958 -13.617 442 2HB ALA 56 2HB ALA 56 4.935 0.438 -13.583 443 3HB ALA 56 3HB ALA 56 4.007 0.003 -12.109 444 H MET 57 H MET 57 7.399 -0.104 -14.082 445 HA MET 57 HA MET 57 7.578 -1.815 -16.316 446 1HB MET 57 1HB MET 57 9.716 0.136 -15.320 447 2HB MET 57 2HB MET 57 9.605 -0.661 -16.926 448 1HG MET 57 1HG MET 57 7.983 1.649 -15.837 449 2HG MET 57 2HG MET 57 8.856 1.485 -17.360 450 1HE MET 57 1HE MET 57 6.695 2.950 -17.794 451 2HE MET 57 2HE MET 57 5.573 2.167 -18.956 452 3HE MET 57 3HE MET 57 7.349 2.085 -19.222 453 H ARG 58 H ARG 58 9.544 -1.991 -13.246 454 HA ARG 58 HA ARG 58 11.331 -4.016 -14.177 455 1HB ARG 58 1HB ARG 58 10.221 -3.486 -11.365 456 2HB ARG 58 2HB ARG 58 11.516 -4.678 -11.726 457 1HG ARG 58 1HG ARG 58 13.012 -2.890 -12.543 458 2HG ARG 58 2HG ARG 58 11.719 -1.667 -12.348 459 1HD ARG 58 1HD ARG 58 13.331 -1.546 -10.446 460 2HD ARG 58 2HD ARG 58 11.675 -2.038 -9.873 461 HE ARG 58 HE ARG 58 13.282 -4.367 -10.526 462 1HH1 ARG 58 1HH1 ARG 58 12.882 -1.844 -8.007 463 2HH1 ARG 58 2HH1 ARG 58 13.446 -2.828 -6.719 464 1HH2 ARG 58 1HH2 ARG 58 14.059 -5.711 -8.749 465 2HH2 ARG 58 2HH2 ARG 58 14.141 -5.084 -7.157 466 H ALA 59 H ALA 59 8.076 -4.450 -12.413 467 HA ALA 59 HA ALA 59 8.029 -7.276 -12.702 468 1HB ALA 59 1HB ALA 59 5.677 -5.307 -12.499 469 2HB ALA 59 2HB ALA 59 6.548 -6.058 -11.113 470 3HB ALA 59 3HB ALA 59 5.586 -7.089 -12.229 471 H LEU 60 H LEU 60 6.442 -4.766 -14.904 472 HA LEU 60 HA LEU 60 5.423 -6.832 -16.633 473 1HB LEU 60 1HB LEU 60 4.290 -4.657 -16.071 474 2HB LEU 60 2HB LEU 60 5.513 -3.803 -17.059 475 HG LEU 60 HG LEU 60 4.689 -4.934 -19.101 476 1HD1 LEU 60 1HD1 LEU 60 2.598 -6.320 -19.094 477 2HD1 LEU 60 2HD1 LEU 60 3.932 -7.136 -18.213 478 3HD1 LEU 60 3HD1 LEU 60 2.605 -6.333 -17.292 479 1HD2 LEU 60 1HD2 LEU 60 2.573 -3.749 -19.300 480 2HD2 LEU 60 2HD2 LEU 60 2.303 -3.794 -17.514 481 3HD2 LEU 60 3HD2 LEU 60 3.634 -2.794 -18.195 482 H GLY 61 H GLY 61 8.488 -4.951 -16.812 483 1HA GLY 61 1HA GLY 61 8.949 -4.838 -19.493 484 2HA GLY 61 2HA GLY 61 10.189 -5.083 -18.220 485 H PHE 62 H PHE 62 9.638 -7.798 -17.527 486 HA PHE 62 HA PHE 62 9.579 -9.909 -18.126 487 1HB PHE 62 1HB PHE 62 9.470 -9.287 -21.127 488 2HB PHE 62 2HB PHE 62 9.218 -10.888 -20.349 489 HD1 PHE 62 HD1 PHE 62 7.348 -10.552 -18.207 490 HD2 PHE 62 HD2 PHE 62 7.492 -8.498 -21.988 491 HE1 PHE 62 HE1 PHE 62 4.905 -10.191 -18.114 492 HE2 PHE 62 HE2 PHE 62 5.045 -8.156 -21.887 493 HZ PHE 62 HZ PHE 62 3.752 -9.001 -19.953 494 H GLU 63 H GLU 63 11.195 -11.448 -18.245 495 HA GLU 63 HA GLU 63 13.836 -10.653 -18.411 496 1HB GLU 63 1HB GLU 63 12.841 -13.504 -18.876 497 2HB GLU 63 2HB GLU 63 14.526 -13.012 -18.485 498 1HG GLU 63 1HG GLU 63 13.709 -12.033 -16.297 499 2HG GLU 63 2HG GLU 63 12.043 -12.615 -16.678 500 HA PRO 64 HA PRO 64 14.525 -12.100 -23.084 501 1HB PRO 64 1HB PRO 64 11.723 -11.320 -24.066 502 2HB PRO 64 2HB PRO 64 12.870 -12.509 -24.810 503 1HG PRO 64 1HG PRO 64 10.770 -13.399 -23.311 504 2HG PRO 64 2HG PRO 64 12.410 -14.126 -23.046 505 1HD PRO 64 1HD PRO 64 11.031 -11.933 -21.387 506 2HD PRO 64 2HD PRO 64 11.921 -13.420 -20.813 507 H LYS 65 H LYS 65 15.892 -10.385 -23.517 508 HA LYS 65 HA LYS 65 15.124 -7.751 -22.799 509 1HB LYS 65 1HB LYS 65 17.669 -8.679 -24.206 510 2HB LYS 65 2HB LYS 65 17.416 -7.075 -23.429 511 1HG LYS 65 1HG LYS 65 17.081 -8.196 -21.211 512 2HG LYS 65 2HG LYS 65 17.266 -9.803 -21.980 513 1HD LYS 65 1HD LYS 65 19.314 -9.311 -20.887 514 2HD LYS 65 2HD LYS 65 19.607 -9.227 -22.660 515 1HE LYS 65 1HE LYS 65 19.563 -6.702 -22.545 516 2HE LYS 65 2HE LYS 65 19.195 -6.790 -20.774 517 1HZ LYS 65 1HZ LYS 65 21.647 -7.827 -22.108 518 2HZ LYS 65 2HZ LYS 65 21.512 -6.397 -21.201 519 3HZ LYS 65 3HZ LYS 65 21.299 -7.904 -20.448 520 H LYS 66 H LYS 66 13.423 -7.059 -24.163 521 HA LYS 66 HA LYS 66 14.198 -6.124 -26.874 522 1HB LYS 66 1HB LYS 66 12.050 -7.437 -26.578 523 2HB LYS 66 2HB LYS 66 11.452 -6.160 -25.475 524 1HG LYS 66 1HG LYS 66 11.407 -4.530 -27.366 525 2HG LYS 66 2HG LYS 66 12.254 -5.715 -28.420 526 1HD LYS 66 1HD LYS 66 9.952 -5.822 -29.083 527 2HD LYS 66 2HD LYS 66 10.319 -7.312 -28.163 528 1HE LYS 66 1HE LYS 66 8.120 -6.600 -27.440 529 2HE LYS 66 2HE LYS 66 9.232 -6.171 -26.085 530 1HZ LYS 66 1HZ LYS 66 9.311 -3.928 -27.462 531 2HZ LYS 66 2HZ LYS 66 7.770 -4.467 -27.952 532 3HZ LYS 66 3HZ LYS 66 8.109 -4.248 -26.305 533 H GLU 67 H GLU 67 14.647 -3.816 -27.105 534 HA GLU 67 HA GLU 67 14.683 -2.191 -24.725 535 1HB GLU 67 1HB GLU 67 15.082 -1.357 -27.645 536 2HB GLU 67 2HB GLU 67 15.225 -0.257 -26.222 537 1HG GLU 67 1HG GLU 67 17.094 -1.747 -25.331 538 2HG GLU 67 2HG GLU 67 17.080 -2.611 -26.919 539 H GLU 68 H GLU 68 12.489 -2.113 -24.005 540 HA GLU 68 HA GLU 68 10.743 -0.219 -25.478 541 1HB GLU 68 1HB GLU 68 9.816 -2.502 -25.480 542 2HB GLU 68 2HB GLU 68 9.829 -2.535 -23.686 543 1HG GLU 68 1HG GLU 68 8.175 -0.702 -23.578 544 2HG GLU 68 2HG GLU 68 8.308 -0.413 -25.357 545 H ILE 69 H ILE 69 11.223 -1.448 -22.003 546 HA ILE 69 HA ILE 69 9.847 0.630 -20.772 547 HB ILE 69 HB ILE 69 12.321 -1.035 -20.000 548 1HG1 ILE 69 1HG1 ILE 69 10.624 -2.573 -20.481 549 2HG1 ILE 69 2HG1 ILE 69 10.634 -2.423 -18.702 550 1HG2 ILE 69 1HG2 ILE 69 12.440 0.718 -18.401 551 2HG2 ILE 69 2HG2 ILE 69 11.645 -0.648 -17.570 552 3HG2 ILE 69 3HG2 ILE 69 10.659 0.752 -18.167 553 1HD1 ILE 69 1HD1 ILE 69 8.314 -2.518 -19.406 554 2HD1 ILE 69 2HD1 ILE 69 8.553 -1.277 -20.681 555 3HD1 ILE 69 3HD1 ILE 69 8.621 -0.807 -18.946 556 H LYS 70 H LYS 70 13.406 0.618 -21.530 557 HA LYS 70 HA LYS 70 14.207 3.091 -20.418 558 1HB LYS 70 1HB LYS 70 15.764 1.365 -21.226 559 2HB LYS 70 2HB LYS 70 14.993 1.376 -22.841 560 1HG LYS 70 1HG LYS 70 15.957 3.653 -23.294 561 2HG LYS 70 2HG LYS 70 16.827 3.575 -21.719 562 1HD LYS 70 1HD LYS 70 18.067 1.579 -22.471 563 2HD LYS 70 2HD LYS 70 17.014 1.420 -23.922 564 1HE LYS 70 1HE LYS 70 17.917 3.568 -24.852 565 2HE LYS 70 2HE LYS 70 19.032 3.713 -23.431 566 1HZ LYS 70 1HZ LYS 70 20.063 1.654 -24.086 567 2HZ LYS 70 2HZ LYS 70 20.066 2.735 -25.393 568 3HZ LYS 70 3HZ LYS 70 18.972 1.429 -25.372 569 H LYS 71 H LYS 71 13.065 2.387 -23.831 570 HA LYS 71 HA LYS 71 12.975 5.127 -24.644 571 1HB LYS 71 1HB LYS 71 11.690 2.639 -25.855 572 2HB LYS 71 2HB LYS 71 11.720 4.264 -26.636 573 1HG LYS 71 1HG LYS 71 14.189 4.277 -26.657 574 2HG LYS 71 2HG LYS 71 14.246 2.733 -25.742 575 1HD LYS 71 1HD LYS 71 13.115 1.565 -27.633 576 2HD LYS 71 2HD LYS 71 13.227 3.067 -28.623 577 1HE LYS 71 1HE LYS 71 15.707 3.014 -28.541 578 2HE LYS 71 2HE LYS 71 15.671 1.742 -27.262 579 1HZ LYS 71 1HZ LYS 71 14.465 0.377 -29.049 580 2HZ LYS 71 2HZ LYS 71 16.155 0.566 -29.052 581 3HZ LYS 71 3HZ LYS 71 15.186 1.463 -30.148 582 H MET 72 H MET 72 10.348 3.013 -23.161 583 HA MET 72 HA MET 72 8.257 4.857 -23.494 584 1HB MET 72 1HB MET 72 8.346 2.420 -22.522 585 2HB MET 72 2HB MET 72 8.542 3.199 -20.935 586 1HG MET 72 1HG MET 72 6.376 4.178 -21.004 587 2HG MET 72 2HG MET 72 6.313 4.178 -22.790 588 1HE MET 72 1HE MET 72 7.103 1.269 -23.755 589 2HE MET 72 2HE MET 72 5.772 2.318 -24.341 590 3HE MET 72 3HE MET 72 5.445 0.610 -23.893 591 H ILE 73 H ILE 73 10.544 4.700 -20.520 592 HA ILE 73 HA ILE 73 9.476 7.026 -19.344 593 HB ILE 73 HB ILE 73 12.315 5.976 -19.080 594 1HG1 ILE 73 1HG1 ILE 73 10.691 4.189 -18.562 595 2HG1 ILE 73 2HG1 ILE 73 11.509 4.775 -17.091 596 1HG2 ILE 73 1HG2 ILE 73 12.193 7.109 -16.803 597 2HG2 ILE 73 2HG2 ILE 73 10.647 7.888 -17.305 598 3HG2 ILE 73 3HG2 ILE 73 12.180 8.268 -18.173 599 1HD1 ILE 73 1HD1 ILE 73 9.446 6.107 -16.478 600 2HD1 ILE 73 2HD1 ILE 73 8.620 5.474 -17.953 601 3HD1 ILE 73 3HD1 ILE 73 9.115 4.348 -16.645 602 H SER 74 H SER 74 12.202 6.897 -21.779 603 HA SER 74 HA SER 74 12.676 9.704 -21.702 604 1HB SER 74 1HB SER 74 14.201 7.856 -22.614 605 2HB SER 74 2HB SER 74 13.164 7.824 -24.084 606 HG SER 74 HG SER 74 14.997 9.156 -24.284 607 H GLU 75 H GLU 75 10.351 7.826 -23.751 608 HA GLU 75 HA GLU 75 9.710 9.961 -25.572 609 1HB GLU 75 1HB GLU 75 9.725 7.511 -26.112 610 2HB GLU 75 2HB GLU 75 8.429 7.254 -24.903 611 1HG GLU 75 1HG GLU 75 6.861 8.639 -26.393 612 2HG GLU 75 2HG GLU 75 8.194 8.735 -27.607 613 H ILE 76 H ILE 76 8.273 8.720 -22.540 614 HA ILE 76 HA ILE 76 5.677 9.649 -23.112 615 HB ILE 76 HB ILE 76 4.892 8.911 -20.962 616 1HG1 ILE 76 1HG1 ILE 76 7.845 8.307 -20.382 617 2HG1 ILE 76 2HG1 ILE 76 6.738 9.396 -19.512 618 1HG2 ILE 76 1HG2 ILE 76 5.240 6.487 -21.486 619 2HG2 ILE 76 2HG2 ILE 76 6.460 6.949 -22.727 620 3HG2 ILE 76 3HG2 ILE 76 4.773 7.508 -22.883 621 1HD1 ILE 76 1HD1 ILE 76 6.987 7.332 -18.224 622 2HD1 ILE 76 2HD1 ILE 76 5.301 7.424 -18.858 623 3HD1 ILE 76 3HD1 ILE 76 6.504 6.322 -19.633 624 H ASP 77 H ASP 77 8.164 11.522 -21.297 625 HA ASP 77 HA ASP 77 5.949 13.464 -20.804 626 1HB ASP 77 1HB ASP 77 7.154 12.505 -18.681 627 2HB ASP 77 2HB ASP 77 8.578 13.469 -19.202 628 H LYS 78 H LYS 78 6.146 15.325 -22.025 629 HA LYS 78 HA LYS 78 8.812 16.079 -23.082 630 1HB LYS 78 1HB LYS 78 6.210 15.890 -24.567 631 2HB LYS 78 2HB LYS 78 7.241 17.300 -24.936 632 1HG LYS 78 1HG LYS 78 7.941 15.755 -26.516 633 2HG LYS 78 2HG LYS 78 9.216 15.771 -25.263 634 1HD LYS 78 1HD LYS 78 7.577 13.641 -24.403 635 2HD LYS 78 2HD LYS 78 7.343 13.595 -26.167 636 1HE LYS 78 1HE LYS 78 9.182 12.103 -25.648 637 2HE LYS 78 2HE LYS 78 9.933 13.548 -26.417 638 1HZ LYS 78 1HZ LYS 78 9.659 13.490 -23.480 639 2HZ LYS 78 2HZ LYS 78 10.819 12.484 -24.205 640 3HZ LYS 78 3HZ LYS 78 10.867 14.172 -24.456 641 H GLU 79 H GLU 79 7.185 17.078 -20.581 642 HA GLU 79 HA GLU 79 7.086 19.974 -21.258 643 1HB GLU 79 1HB GLU 79 5.543 18.485 -19.039 644 2HB GLU 79 2HB GLU 79 5.382 20.201 -19.527 645 1HG GLU 79 1HG GLU 79 3.601 19.484 -20.710 646 2HG GLU 79 2HG GLU 79 4.800 18.998 -21.955 647 H GLY 80 H GLY 80 7.773 17.644 -18.541 648 1HA GLY 80 1HA GLY 80 10.056 18.196 -17.553 649 2HA GLY 80 2HA GLY 80 9.225 19.709 -17.036 650 H THR 81 H THR 81 8.037 16.280 -17.047 651 HA THR 81 HA THR 81 7.717 16.355 -14.131 652 HB THR 81 HB THR 81 5.271 15.406 -14.582 653 HG1 THR 81 HG1 THR 81 5.611 15.694 -16.935 654 1HG2 THR 81 1HG2 THR 81 6.018 18.394 -14.696 655 2HG2 THR 81 2HG2 THR 81 4.435 17.690 -14.198 656 3HG2 THR 81 3HG2 THR 81 5.906 17.386 -13.207 657 H GLY 82 H GLY 82 5.869 13.833 -15.307 658 1HA GLY 82 1HA GLY 82 7.339 11.771 -16.063 659 2HA GLY 82 2HA GLY 82 7.861 11.975 -14.345 660 H LYS 83 H LYS 83 5.245 11.356 -16.521 661 HA LYS 83 HA LYS 83 3.537 10.105 -14.484 662 1HB LYS 83 1HB LYS 83 1.578 11.469 -15.342 663 2HB LYS 83 2HB LYS 83 2.815 12.446 -14.494 664 1HG LYS 83 1HG LYS 83 3.806 13.154 -16.694 665 2HG LYS 83 2HG LYS 83 2.574 12.174 -17.560 666 1HD LYS 83 1HD LYS 83 0.769 13.578 -16.503 667 2HD LYS 83 2HD LYS 83 2.031 14.626 -15.775 668 1HE LYS 83 1HE LYS 83 1.630 14.116 -18.817 669 2HE LYS 83 2HE LYS 83 1.063 15.575 -17.913 670 1HZ LYS 83 1HZ LYS 83 3.391 16.054 -17.386 671 2HZ LYS 83 2HZ LYS 83 3.917 14.749 -18.315 672 3HZ LYS 83 3HZ LYS 83 3.070 16.033 -19.051 673 H MET 84 H MET 84 1.752 8.811 -15.402 674 HA MET 84 HA MET 84 1.544 8.659 -18.306 675 1HB MET 84 1HB MET 84 3.294 6.947 -17.441 676 2HB MET 84 2HB MET 84 1.935 6.077 -16.665 677 1HG MET 84 1HG MET 84 0.926 5.681 -18.911 678 2HG MET 84 2HG MET 84 2.134 6.778 -19.659 679 1HE MET 84 1HE MET 84 3.467 3.687 -21.288 680 2HE MET 84 2HE MET 84 3.218 5.465 -21.378 681 3HE MET 84 3HE MET 84 1.821 4.369 -21.118 682 H ASN 85 H ASN 85 -0.699 8.268 -18.926 683 HA ASN 85 HA ASN 85 -2.508 7.468 -16.699 684 1HB ASN 85 1HB ASN 85 -4.440 8.209 -18.087 685 2HB ASN 85 2HB ASN 85 -3.332 9.507 -17.560 686 1HD2 ASN 85 1HD2 ASN 85 -2.322 10.803 -19.135 687 2HD2 ASN 85 2HD2 ASN 85 -2.395 10.504 -20.837 688 H PHE 86 H PHE 86 -4.407 6.105 -17.473 689 HA PHE 86 HA PHE 86 -3.434 3.655 -18.578 690 1HB PHE 86 1HB PHE 86 -5.352 3.993 -16.867 691 2HB PHE 86 2HB PHE 86 -6.393 4.463 -18.253 692 HD1 PHE 86 HD1 PHE 86 -7.676 2.700 -19.175 693 HD2 PHE 86 HD2 PHE 86 -3.967 1.738 -17.236 694 HE1 PHE 86 HE1 PHE 86 -8.163 0.288 -19.430 695 HE2 PHE 86 HE2 PHE 86 -4.492 -0.666 -17.413 696 HZ PHE 86 HZ PHE 86 -6.576 -1.404 -18.547 697 H GLY 87 H GLY 87 -4.768 6.555 -20.284 698 1HA GLY 87 1HA GLY 87 -5.593 5.128 -22.661 699 2HA GLY 87 2HA GLY 87 -5.166 6.875 -22.481 700 H ASP 88 H ASP 88 -2.523 6.936 -21.768 701 HA ASP 88 HA ASP 88 -0.893 6.173 -23.894 702 1HB ASP 88 1HB ASP 88 0.110 6.289 -20.981 703 2HB ASP 88 2HB ASP 88 1.051 6.591 -22.482 704 H PHE 89 H PHE 89 -1.213 4.477 -20.645 705 HA PHE 89 HA PHE 89 0.560 2.439 -21.140 706 1HB PHE 89 1HB PHE 89 -0.635 3.222 -18.930 707 2HB PHE 89 2HB PHE 89 -1.898 2.017 -19.342 708 HD1 PHE 89 HD1 PHE 89 1.936 2.021 -19.499 709 HD2 PHE 89 HD2 PHE 89 -1.622 0.253 -17.856 710 HE1 PHE 89 HE1 PHE 89 3.313 0.452 -18.203 711 HE2 PHE 89 HE2 PHE 89 -0.236 -1.345 -16.584 712 HZ PHE 89 HZ PHE 89 2.239 -1.240 -16.739 713 H LEU 90 H LEU 90 -3.055 2.125 -21.591 714 HA LEU 90 HA LEU 90 -2.937 -0.507 -22.589 715 1HB LEU 90 1HB LEU 90 -4.978 0.732 -21.670 716 2HB LEU 90 2HB LEU 90 -5.071 1.597 -23.233 717 HG LEU 90 HG LEU 90 -5.348 -0.651 -24.394 718 1HD1 LEU 90 1HD1 LEU 90 -5.490 -1.757 -21.512 719 2HD1 LEU 90 2HD1 LEU 90 -6.000 -2.648 -22.992 720 3HD1 LEU 90 3HD1 LEU 90 -4.279 -2.189 -22.779 721 1HD2 LEU 90 1HD2 LEU 90 -7.424 -0.031 -22.197 722 2HD2 LEU 90 2HD2 LEU 90 -7.310 0.764 -23.814 723 3HD2 LEU 90 3HD2 LEU 90 -7.710 -0.990 -23.699 724 H THR 91 H THR 91 -3.022 2.643 -24.533 725 HA THR 91 HA THR 91 -2.972 1.278 -27.039 726 HB THR 91 HB THR 91 -2.386 3.459 -28.062 727 HG1 THR 91 HG1 THR 91 -2.601 4.487 -25.415 728 1HG2 THR 91 1HG2 THR 91 -4.691 3.517 -25.988 729 2HG2 THR 91 2HG2 THR 91 -4.546 4.539 -27.465 730 3HG2 THR 91 3HG2 THR 91 -4.754 2.758 -27.621 731 H VAL 92 H VAL 92 -0.171 2.841 -25.212 732 HA VAL 92 HA VAL 92 1.693 2.123 -27.204 733 HB VAL 92 HB VAL 92 1.912 3.942 -25.448 734 1HG1 VAL 92 1HG1 VAL 92 3.214 3.414 -23.445 735 2HG1 VAL 92 2HG1 VAL 92 1.711 2.419 -23.400 736 3HG1 VAL 92 3HG1 VAL 92 3.273 1.667 -23.853 737 1HG2 VAL 92 1HG2 VAL 92 3.545 3.415 -27.242 738 2HG2 VAL 92 2HG2 VAL 92 4.389 3.863 -25.714 739 3HG2 VAL 92 3HG2 VAL 92 4.286 2.132 -26.211 740 H MET 93 H MET 93 0.923 0.282 -24.100 741 HA MET 93 HA MET 93 2.821 -1.771 -24.668 742 1HB MET 93 1HB MET 93 0.325 -1.864 -22.898 743 2HB MET 93 2HB MET 93 1.545 -3.178 -23.000 744 1HG MET 93 1HG MET 93 2.128 -0.299 -22.078 745 2HG MET 93 2HG MET 93 1.843 -1.705 -21.013 746 1HE MET 93 1HE MET 93 4.058 -1.454 -19.673 747 2HE MET 93 2HE MET 93 4.158 0.080 -20.580 748 3HE MET 93 3HE MET 93 5.609 -0.976 -20.440 749 H THR 94 H THR 94 -0.800 -1.641 -25.646 750 HA THR 94 HA THR 94 -0.765 -4.233 -26.768 751 HB THR 94 HB THR 94 -2.322 -1.806 -27.768 752 HG1 THR 94 HG1 THR 94 -2.940 -3.879 -25.940 753 1HG2 THR 94 1HG2 THR 94 -2.744 -4.860 -28.184 754 2HG2 THR 94 2HG2 THR 94 -3.920 -3.573 -28.645 755 3HG2 THR 94 3HG2 THR 94 -2.327 -3.666 -29.466 756 H GLN 95 H GLN 95 -0.131 -1.075 -28.604 757 HA GLN 95 HA GLN 95 0.698 -2.213 -31.010 758 1HB GLN 95 1HB GLN 95 0.224 0.214 -30.570 759 2HB GLN 95 2HB GLN 95 1.704 0.315 -29.571 760 1HG GLN 95 1HG GLN 95 3.074 -0.253 -31.694 761 2HG GLN 95 2HG GLN 95 1.543 -0.127 -32.633 762 1HE2 GLN 95 1HE2 GLN 95 0.261 2.030 -32.158 763 2HE2 GLN 95 2HE2 GLN 95 1.207 3.474 -31.998 764 H LYS 96 H LYS 96 2.998 -1.172 -28.294 765 HA LYS 96 HA LYS 96 5.251 -2.101 -29.850 766 1HB LYS 96 1HB LYS 96 5.170 -0.957 -27.021 767 2HB LYS 96 2HB LYS 96 6.661 -1.343 -27.948 768 1HG LYS 96 1HG LYS 96 5.861 0.250 -29.776 769 2HG LYS 96 2HG LYS 96 4.529 0.754 -28.676 770 1HD LYS 96 1HD LYS 96 6.229 1.449 -26.963 771 2HD LYS 96 2HD LYS 96 7.549 0.944 -28.074 772 1HE LYS 96 1HE LYS 96 6.837 2.670 -29.754 773 2HE LYS 96 2HE LYS 96 5.471 3.173 -28.679 774 1HZ LYS 96 1HZ LYS 96 8.356 3.308 -27.944 775 2HZ LYS 96 2HZ LYS 96 7.415 4.619 -28.476 776 3HZ LYS 96 3HZ LYS 96 7.038 3.880 -27.036 777 H MET 97 H MET 97 3.596 -3.593 -26.872 778 HA MET 97 HA MET 97 5.614 -5.695 -26.762 779 1HB MET 97 1HB MET 97 2.872 -5.529 -25.417 780 2HB MET 97 2HB MET 97 3.984 -6.908 -25.237 781 1HG MET 97 1HG MET 97 4.832 -4.059 -24.475 782 2HG MET 97 2HG MET 97 3.926 -5.142 -23.378 783 1HE MET 97 1HE MET 97 7.342 -5.350 -21.656 784 2HE MET 97 2HE MET 97 5.568 -5.147 -21.491 785 3HE MET 97 3HE MET 97 6.529 -3.929 -22.402 786 H SER 98 H SER 98 2.059 -5.687 -27.934 787 HA SER 98 HA SER 98 2.275 -8.531 -28.451 788 1HB SER 98 1HB SER 98 -0.065 -6.641 -29.029 789 2HB SER 98 2HB SER 98 -0.115 -8.445 -28.985 790 HG SER 98 HG SER 98 0.525 -6.674 -26.857 Start of MODEL 19 1 1H MET 1 1H MET 1 22.836 -19.521 1.285 2 2H MET 1 2H MET 1 23.296 -19.612 2.896 3 3H MET 1 3H MET 1 22.163 -18.474 2.403 4 HA MET 1 HA MET 1 24.267 -17.392 2.782 5 1HB MET 1 1HB MET 1 25.377 -19.435 0.760 6 2HB MET 1 2HB MET 1 26.244 -17.979 1.291 7 1HG MET 1 1HG MET 1 25.406 -20.297 3.161 8 2HG MET 1 2HG MET 1 27.030 -19.958 2.536 9 1HE MET 1 1HE MET 1 27.188 -19.006 6.400 10 2HE MET 1 2HE MET 1 27.819 -20.097 5.121 11 3HE MET 1 3HE MET 1 26.118 -20.259 5.688 12 H ALA 2 H ALA 2 24.053 -18.216 -0.770 13 HA ALA 2 HA ALA 2 23.542 -15.414 -1.414 14 1HB ALA 2 1HB ALA 2 23.482 -17.951 -3.155 15 2HB ALA 2 2HB ALA 2 24.895 -16.885 -2.884 16 3HB ALA 2 3HB ALA 2 23.470 -16.264 -3.769 17 H SER 3 H SER 3 21.570 -14.434 -1.294 18 HA SER 3 HA SER 3 19.109 -15.874 -0.862 19 1HB SER 3 1HB SER 3 19.636 -13.696 0.182 20 2HB SER 3 2HB SER 3 19.537 -12.886 -1.407 21 HG SER 3 HG SER 3 17.584 -12.785 -0.197 22 H ASN 4 H ASN 4 19.846 -13.724 -3.711 23 HA ASN 4 HA ASN 4 17.809 -15.216 -5.317 24 1HB ASN 4 1HB ASN 4 17.900 -12.672 -5.324 25 2HB ASN 4 2HB ASN 4 19.479 -12.770 -6.126 26 1HD2 ASN 4 1HD2 ASN 4 15.981 -13.518 -6.514 27 2HD2 ASN 4 2HD2 ASN 4 16.055 -13.515 -8.286 28 H PHE 5 H PHE 5 19.025 -17.231 -5.181 29 HA PHE 5 HA PHE 5 21.573 -17.484 -6.618 30 1HB PHE 5 1HB PHE 5 21.484 -19.877 -6.076 31 2HB PHE 5 2HB PHE 5 21.350 -18.795 -4.683 32 HD1 PHE 5 HD1 PHE 5 19.589 -21.389 -6.648 33 HD2 PHE 5 HD2 PHE 5 19.258 -18.663 -3.335 34 HE1 PHE 5 HE1 PHE 5 17.640 -22.640 -5.803 35 HE2 PHE 5 HE2 PHE 5 17.308 -19.914 -2.505 36 HZ PHE 5 HZ PHE 5 16.490 -21.906 -3.734 37 H LYS 6 H LYS 6 20.791 -16.459 -8.555 38 HA LYS 6 HA LYS 6 18.811 -17.688 -10.239 39 1HB LYS 6 1HB LYS 6 19.341 -15.241 -9.916 40 2HB LYS 6 2HB LYS 6 20.813 -15.462 -10.882 41 1HG LYS 6 1HG LYS 6 19.338 -16.176 -12.843 42 2HG LYS 6 2HG LYS 6 17.897 -15.918 -11.822 43 1HD LYS 6 1HD LYS 6 18.536 -13.492 -11.523 44 2HD LYS 6 2HD LYS 6 19.975 -13.746 -12.546 45 1HE LYS 6 1HE LYS 6 18.473 -14.383 -14.500 46 2HE LYS 6 2HE LYS 6 17.036 -14.127 -13.476 47 1HZ LYS 6 1HZ LYS 6 17.748 -11.777 -13.181 48 2HZ LYS 6 2HZ LYS 6 19.068 -12.023 -14.185 49 3HZ LYS 6 3HZ LYS 6 17.516 -12.110 -14.804 50 H LYS 7 H LYS 7 19.822 -19.852 -10.342 51 HA LYS 7 HA LYS 7 21.768 -20.160 -12.620 52 1HB LYS 7 1HB LYS 7 22.415 -20.983 -10.348 53 2HB LYS 7 2HB LYS 7 21.096 -22.164 -10.406 54 1HG LYS 7 1HG LYS 7 22.188 -23.191 -12.479 55 2HG LYS 7 2HG LYS 7 23.493 -21.983 -12.363 56 1HD LYS 7 1HD LYS 7 24.048 -22.825 -10.034 57 2HD LYS 7 2HD LYS 7 22.813 -24.087 -10.186 58 1HE LYS 7 1HE LYS 7 25.276 -23.791 -12.061 59 2HE LYS 7 2HE LYS 7 25.232 -24.834 -10.621 60 1HZ LYS 7 1HZ LYS 7 23.361 -26.071 -11.626 61 2HZ LYS 7 2HZ LYS 7 24.702 -26.116 -12.628 62 3HZ LYS 7 3HZ LYS 7 23.412 -25.107 -12.992 63 H ALA 8 H ALA 8 18.839 -22.000 -11.456 64 HA ALA 8 HA ALA 8 18.455 -23.108 -14.187 65 1HB ALA 8 1HB ALA 8 18.255 -24.592 -12.222 66 2HB ALA 8 2HB ALA 8 16.698 -24.498 -13.099 67 3HB ALA 8 3HB ALA 8 16.927 -23.586 -11.568 68 H ASN 9 H ASN 9 18.127 -20.913 -15.074 69 HA ASN 9 HA ASN 9 15.236 -20.041 -14.963 70 1HB ASN 9 1HB ASN 9 17.735 -18.248 -14.975 71 2HB ASN 9 2HB ASN 9 16.083 -17.638 -15.256 72 1HD2 ASN 9 1HD2 ASN 9 14.498 -17.956 -13.400 73 2HD2 ASN 9 2HD2 ASN 9 15.176 -17.960 -11.763 74 H MET 10 H MET 10 18.080 -19.337 -17.138 75 HA MET 10 HA MET 10 16.219 -19.244 -19.448 76 1HB MET 10 1HB MET 10 19.228 -18.711 -19.227 77 2HB MET 10 2HB MET 10 18.316 -18.627 -20.752 78 1HG MET 10 1HG MET 10 17.757 -16.833 -18.291 79 2HG MET 10 2HG MET 10 18.657 -16.368 -19.750 80 1HE MET 10 1HE MET 10 15.249 -14.399 -20.150 81 2HE MET 10 2HE MET 10 17.038 -14.267 -20.060 82 3HE MET 10 3HE MET 10 16.097 -14.763 -18.608 83 H ALA 11 H ALA 11 15.579 -21.482 -19.195 84 HA ALA 11 HA ALA 11 17.379 -23.406 -20.671 85 1HB ALA 11 1HB ALA 11 15.576 -24.012 -18.249 86 2HB ALA 11 2HB ALA 11 17.360 -23.890 -18.247 87 3HB ALA 11 3HB ALA 11 16.567 -25.214 -19.152 88 H SER 12 H SER 12 13.844 -23.149 -19.825 89 HA SER 12 HA SER 12 13.061 -24.757 -22.100 90 1HB SER 12 1HB SER 12 11.409 -22.984 -20.213 91 2HB SER 12 2HB SER 12 10.704 -24.099 -21.428 92 HG SER 12 HG SER 12 10.902 -25.049 -19.353 93 H SER 13 H SER 13 12.592 -24.177 -24.186 94 HA SER 13 HA SER 13 13.073 -21.477 -25.099 95 1HB SER 13 1HB SER 13 12.938 -22.366 -27.323 96 2HB SER 13 2HB SER 13 13.760 -23.578 -26.308 97 HG SER 13 HG SER 13 10.968 -23.639 -26.626 98 H SER 14 H SER 14 11.385 -20.297 -23.968 99 HA SER 14 HA SER 14 8.601 -20.718 -24.470 100 1HB SER 14 1HB SER 14 9.542 -19.773 -22.379 101 2HB SER 14 2HB SER 14 10.022 -18.293 -23.243 102 HG SER 14 HG SER 14 7.373 -19.297 -22.897 103 H GLN 15 H GLN 15 10.559 -17.909 -25.732 104 HA GLN 15 HA GLN 15 8.287 -17.037 -27.408 105 1HB GLN 15 1HB GLN 15 11.122 -15.930 -27.116 106 2HB GLN 15 2HB GLN 15 9.875 -15.221 -28.170 107 1HG GLN 15 1HG GLN 15 8.374 -14.859 -26.153 108 2HG GLN 15 2HG GLN 15 9.647 -15.493 -25.086 109 1HE2 GLN 15 1HE2 GLN 15 8.339 -12.665 -25.639 110 2HE2 GLN 15 2HE2 GLN 15 9.782 -11.635 -25.596 111 H ARG 16 H ARG 16 8.240 -19.181 -28.460 112 HA ARG 16 HA ARG 16 10.100 -19.446 -30.813 113 1HB ARG 16 1HB ARG 16 10.268 -21.004 -28.853 114 2HB ARG 16 2HB ARG 16 8.647 -21.619 -29.210 115 1HG ARG 16 1HG ARG 16 9.426 -22.569 -31.357 116 2HG ARG 16 2HG ARG 16 10.991 -21.718 -31.230 117 1HD ARG 16 1HD ARG 16 11.580 -23.009 -29.175 118 2HD ARG 16 2HD ARG 16 10.011 -23.894 -29.244 119 HE ARG 16 HE ARG 16 11.205 -24.267 -31.794 120 1HH1 ARG 16 1HH1 ARG 16 12.152 -25.062 -28.437 121 2HH1 ARG 16 2HH1 ARG 16 13.034 -26.497 -28.963 122 1HH2 ARG 16 1HH2 ARG 16 12.343 -26.053 -32.349 123 2HH2 ARG 16 2HH2 ARG 16 13.148 -27.042 -31.130 124 H LYS 17 H LYS 17 6.722 -19.023 -30.293 125 HA LYS 17 HA LYS 17 4.979 -18.755 -31.713 126 1HB LYS 17 1HB LYS 17 6.630 -17.514 -33.064 127 2HB LYS 17 2HB LYS 17 6.961 -18.973 -34.013 128 1HG LYS 17 1HG LYS 17 4.609 -19.020 -34.840 129 2HG LYS 17 2HG LYS 17 4.186 -17.615 -33.825 130 1HD LYS 17 1HD LYS 17 5.762 -16.156 -35.112 131 2HD LYS 17 2HD LYS 17 6.384 -17.563 -35.994 132 1HE LYS 17 1HE LYS 17 4.910 -16.375 -37.497 133 2HE LYS 17 2HE LYS 17 4.132 -17.922 -37.089 134 1HZ LYS 17 1HZ LYS 17 2.612 -15.928 -37.010 135 2HZ LYS 17 2HZ LYS 17 2.642 -16.790 -35.575 136 3HZ LYS 17 3HZ LYS 17 3.477 -15.338 -35.700 137 H ARG 18 H ARG 18 3.618 -20.381 -31.354 138 HA ARG 18 HA ARG 18 3.436 -22.504 -33.435 139 1HB ARG 18 1HB ARG 18 4.450 -23.631 -31.485 140 2HB ARG 18 2HB ARG 18 3.108 -23.124 -30.444 141 1HG ARG 18 1HG ARG 18 1.514 -24.461 -31.921 142 2HG ARG 18 2HG ARG 18 2.901 -24.969 -32.928 143 1HD ARG 18 1HD ARG 18 3.952 -26.114 -30.940 144 2HD ARG 18 2HD ARG 18 2.584 -25.567 -29.897 145 HE ARG 18 HE ARG 18 1.477 -26.931 -32.198 146 1HH1 ARG 18 1HH1 ARG 18 3.355 -27.756 -29.309 147 2HH1 ARG 18 2HH1 ARG 18 2.731 -29.407 -29.265 148 1HH2 ARG 18 1HH2 ARG 18 0.732 -28.989 -32.096 149 2HH2 ARG 18 2HH2 ARG 18 1.266 -30.090 -30.826 150 H MET 19 H MET 19 1.308 -21.796 -30.603 151 HA MET 19 HA MET 19 -0.924 -21.027 -32.397 152 1HB MET 19 1HB MET 19 -0.672 -21.189 -29.352 153 2HB MET 19 2HB MET 19 -2.118 -20.547 -30.162 154 1HG MET 19 1HG MET 19 -2.551 -22.706 -31.293 155 2HG MET 19 2HG MET 19 -1.034 -23.396 -30.660 156 1HE MET 19 1HE MET 19 -2.320 -25.457 -29.602 157 2HE MET 19 2HE MET 19 -3.863 -24.810 -30.268 158 3HE MET 19 3HE MET 19 -3.762 -25.295 -28.543 159 H SER 20 H SER 20 -0.883 -19.037 -33.279 160 HA SER 20 HA SER 20 0.978 -16.981 -32.233 161 1HB SER 20 1HB SER 20 -0.519 -17.197 -34.881 162 2HB SER 20 2HB SER 20 0.610 -15.877 -34.453 163 HG SER 20 HG SER 20 1.272 -18.654 -34.343 164 HA PRO 21 HA PRO 21 -2.676 -14.773 -30.482 165 1HB PRO 21 1HB PRO 21 -0.552 -12.699 -29.740 166 2HB PRO 21 2HB PRO 21 -1.838 -13.388 -28.700 167 1HG PRO 21 1HG PRO 21 0.712 -14.264 -28.411 168 2HG PRO 21 2HG PRO 21 -0.622 -15.471 -28.430 169 1HD PRO 21 1HD PRO 21 1.226 -14.688 -30.761 170 2HD PRO 21 2HD PRO 21 0.763 -16.327 -30.161 171 H LYS 22 H LYS 22 -3.923 -12.880 -30.792 172 HA LYS 22 HA LYS 22 -3.671 -11.385 -33.313 173 1HB LYS 22 1HB LYS 22 -5.474 -11.151 -30.816 174 2HB LYS 22 2HB LYS 22 -5.679 -10.087 -32.209 175 1HG LYS 22 1HG LYS 22 -6.337 -11.907 -33.682 176 2HG LYS 22 2HG LYS 22 -6.012 -13.150 -32.458 177 1HD LYS 22 1HD LYS 22 -7.982 -10.821 -31.979 178 2HD LYS 22 2HD LYS 22 -8.503 -12.306 -32.788 179 1HE LYS 22 1HE LYS 22 -8.383 -13.647 -30.871 180 2HE LYS 22 2HE LYS 22 -7.079 -12.706 -30.115 181 1HZ LYS 22 1HZ LYS 22 -9.769 -11.455 -30.407 182 2HZ LYS 22 2HZ LYS 22 -8.547 -11.082 -29.321 183 3HZ LYS 22 3HZ LYS 22 -9.430 -12.474 -29.112 184 HA PRO 23 HA PRO 23 -1.667 -7.659 -31.336 185 1HB PRO 23 1HB PRO 23 -2.634 -5.543 -32.665 186 2HB PRO 23 2HB PRO 23 -1.486 -6.711 -33.403 187 1HG PRO 23 1HG PRO 23 -4.542 -6.659 -33.734 188 2HG PRO 23 2HG PRO 23 -3.305 -6.819 -35.033 189 1HD PRO 23 1HD PRO 23 -4.608 -9.019 -33.948 190 2HD PRO 23 2HD PRO 23 -2.877 -9.126 -34.455 191 H GLU 24 H GLU 24 -2.728 -8.282 -29.575 192 HA GLU 24 HA GLU 24 -4.592 -6.437 -28.168 193 1HB GLU 24 1HB GLU 24 -5.894 -8.329 -29.510 194 2HB GLU 24 2HB GLU 24 -5.181 -9.471 -28.369 195 1HG GLU 24 1HG GLU 24 -6.350 -7.859 -26.520 196 2HG GLU 24 2HG GLU 24 -7.290 -7.266 -27.923 197 H LEU 25 H LEU 25 -4.352 -6.668 -25.832 198 HA LEU 25 HA LEU 25 -2.003 -8.242 -24.828 199 1HB LEU 25 1HB LEU 25 -3.829 -6.238 -23.419 200 2HB LEU 25 2HB LEU 25 -2.543 -7.144 -22.588 201 HG LEU 25 HG LEU 25 -2.031 -5.282 -24.968 202 1HD1 LEU 25 1HD1 LEU 25 -1.683 -4.652 -21.962 203 2HD1 LEU 25 2HD1 LEU 25 -1.274 -3.554 -23.319 204 3HD1 LEU 25 3HD1 LEU 25 -2.983 -3.990 -23.016 205 1HD2 LEU 25 1HD2 LEU 25 -0.184 -6.941 -24.592 206 2HD2 LEU 25 2HD2 LEU 25 0.318 -5.246 -24.387 207 3HD2 LEU 25 3HD2 LEU 25 0.054 -6.247 -22.942 208 H THR 26 H THR 26 -2.381 -10.344 -24.245 209 HA THR 26 HA THR 26 -4.948 -11.504 -24.834 210 HB THR 26 HB THR 26 -3.581 -13.697 -23.989 211 HG1 THR 26 HG1 THR 26 -1.785 -13.151 -23.313 212 1HG2 THR 26 1HG2 THR 26 -2.350 -13.750 -26.145 213 2HG2 THR 26 2HG2 THR 26 -2.703 -12.021 -26.445 214 3HG2 THR 26 3HG2 THR 26 -4.043 -13.235 -26.434 215 H GLU 27 H GLU 27 -3.361 -12.271 -21.767 216 HA GLU 27 HA GLU 27 -5.900 -11.898 -20.287 217 1HB GLU 27 1HB GLU 27 -5.333 -14.432 -21.485 218 2HB GLU 27 2HB GLU 27 -4.907 -14.667 -19.786 219 1HG GLU 27 1HG GLU 27 -7.237 -13.691 -19.173 220 2HG GLU 27 2HG GLU 27 -7.606 -13.651 -20.927 221 H GLU 28 H GLU 28 -2.781 -13.436 -20.098 222 HA GLU 28 HA GLU 28 -1.890 -12.818 -17.447 223 1HB GLU 28 1HB GLU 28 0.207 -13.732 -18.320 224 2HB GLU 28 2HB GLU 28 -1.172 -14.719 -18.815 225 1HG GLU 28 1HG GLU 28 0.605 -12.933 -20.557 226 2HG GLU 28 2HG GLU 28 0.389 -14.701 -20.665 227 H GLN 29 H GLN 29 -1.176 -11.231 -20.632 228 HA GLN 29 HA GLN 29 0.279 -8.932 -19.571 229 1HB GLN 29 1HB GLN 29 -1.288 -9.251 -22.194 230 2HB GLN 29 2HB GLN 29 -0.109 -7.962 -21.828 231 1HG GLN 29 1HG GLN 29 1.782 -9.582 -21.946 232 2HG GLN 29 2HG GLN 29 0.648 -10.945 -22.097 233 1HE2 GLN 29 1HE2 GLN 29 2.273 -8.438 -24.031 234 2HE2 GLN 29 2HE2 GLN 29 1.336 -8.804 -25.487 235 H LYS 30 H LYS 30 -3.116 -9.458 -20.520 236 HA LYS 30 HA LYS 30 -4.187 -6.804 -20.246 237 1HB LYS 30 1HB LYS 30 -5.046 -8.885 -21.491 238 2HB LYS 30 2HB LYS 30 -5.477 -9.570 -19.921 239 1HG LYS 30 1HG LYS 30 -7.050 -7.527 -19.628 240 2HG LYS 30 2HG LYS 30 -6.700 -7.099 -21.317 241 1HD LYS 30 1HD LYS 30 -7.405 -10.019 -20.991 242 2HD LYS 30 2HD LYS 30 -8.610 -8.972 -20.266 243 1HE LYS 30 1HE LYS 30 -9.492 -9.234 -22.413 244 2HE LYS 30 2HE LYS 30 -8.644 -7.684 -22.617 245 1HZ LYS 30 1HZ LYS 30 -6.762 -8.936 -23.641 246 2HZ LYS 30 2HZ LYS 30 -8.137 -9.347 -24.494 247 3HZ LYS 30 3HZ LYS 30 -7.482 -10.371 -23.327 248 H GLN 31 H GLN 31 -4.322 -9.540 -17.817 249 HA GLN 31 HA GLN 31 -5.267 -7.808 -15.687 250 1HB GLN 31 1HB GLN 31 -5.285 -9.659 -14.278 251 2HB GLN 31 2HB GLN 31 -5.677 -10.278 -15.875 252 1HG GLN 31 1HG GLN 31 -4.251 -11.952 -15.325 253 2HG GLN 31 2HG GLN 31 -2.994 -10.877 -15.950 254 1HE2 GLN 31 1HE2 GLN 31 -1.586 -9.858 -14.306 255 2HE2 GLN 31 2HE2 GLN 31 -1.660 -10.356 -12.606 256 H GLU 32 H GLU 32 -1.964 -8.674 -16.700 257 HA GLU 32 HA GLU 32 -0.558 -7.544 -14.419 258 1HB GLU 32 1HB GLU 32 0.696 -8.922 -16.147 259 2HB GLU 32 2HB GLU 32 0.566 -7.562 -17.280 260 1HG GLU 32 1HG GLU 32 1.873 -6.138 -15.524 261 2HG GLU 32 2HG GLU 32 2.128 -7.653 -14.609 262 H ILE 33 H ILE 33 -1.369 -5.821 -17.541 263 HA ILE 33 HA ILE 33 -0.503 -3.252 -16.521 264 HB ILE 33 HB ILE 33 -2.323 -3.819 -18.974 265 1HG1 ILE 33 1HG1 ILE 33 -0.340 -2.755 -20.171 266 2HG1 ILE 33 2HG1 ILE 33 0.557 -2.649 -18.663 267 1HG2 ILE 33 1HG2 ILE 33 -1.167 -1.377 -17.951 268 2HG2 ILE 33 2HG2 ILE 33 -2.095 -1.353 -19.400 269 3HG2 ILE 33 3HG2 ILE 33 -2.845 -1.705 -17.841 270 1HD1 ILE 33 1HD1 ILE 33 0.796 -5.166 -18.599 271 2HD1 ILE 33 2HD1 ILE 33 1.401 -4.489 -20.134 272 3HD1 ILE 33 3HD1 ILE 33 -0.197 -5.293 -20.093 273 H ARG 34 H ARG 34 -3.864 -4.720 -16.593 274 HA ARG 34 HA ARG 34 -5.200 -2.484 -15.447 275 1HB ARG 34 1HB ARG 34 -6.027 -4.780 -16.569 276 2HB ARG 34 2HB ARG 34 -6.090 -5.361 -14.913 277 1HG ARG 34 1HG ARG 34 -7.681 -3.140 -16.341 278 2HG ARG 34 2HG ARG 34 -8.296 -4.667 -15.689 279 1HD ARG 34 1HD ARG 34 -7.421 -2.173 -14.089 280 2HD ARG 34 2HD ARG 34 -9.096 -2.758 -14.370 281 HE ARG 34 HE ARG 34 -7.447 -4.810 -13.050 282 1HH1 ARG 34 1HH1 ARG 34 -9.128 -1.790 -12.315 283 2HH1 ARG 34 2HH1 ARG 34 -8.627 -1.831 -10.624 284 1HH2 ARG 34 1HH2 ARG 34 -6.976 -4.880 -10.915 285 2HH2 ARG 34 2HH2 ARG 34 -7.442 -3.544 -9.858 286 H GLU 35 H GLU 35 -3.786 -5.338 -13.720 287 HA GLU 35 HA GLU 35 -4.371 -4.390 -11.050 288 1HB GLU 35 1HB GLU 35 -3.982 -6.781 -11.939 289 2HB GLU 35 2HB GLU 35 -2.252 -6.448 -11.878 290 1HG GLU 35 1HG GLU 35 -4.222 -6.352 -9.460 291 2HG GLU 35 2HG GLU 35 -3.301 -7.792 -9.968 292 H ALA 36 H ALA 36 -1.301 -4.072 -13.038 293 HA ALA 36 HA ALA 36 0.233 -2.802 -10.973 294 1HB ALA 36 1HB ALA 36 1.748 -2.092 -12.852 295 2HB ALA 36 2HB ALA 36 1.237 -3.802 -13.007 296 3HB ALA 36 3HB ALA 36 0.472 -2.556 -14.033 297 H PHE 37 H PHE 37 -1.596 -1.167 -13.625 298 HA PHE 37 HA PHE 37 -1.104 1.507 -12.642 299 1HB PHE 37 1HB PHE 37 -1.855 0.692 -15.028 300 2HB PHE 37 2HB PHE 37 -3.506 0.830 -14.400 301 HD1 PHE 37 HD1 PHE 37 -4.270 3.089 -13.472 302 HD2 PHE 37 HD2 PHE 37 -0.573 2.685 -15.636 303 HE1 PHE 37 HE1 PHE 37 -4.215 5.536 -13.870 304 HE2 PHE 37 HE2 PHE 37 -0.643 5.081 -16.161 305 HZ PHE 37 HZ PHE 37 -2.420 6.511 -15.188 306 H ASP 38 H ASP 38 -3.864 -0.751 -11.963 307 HA ASP 38 HA ASP 38 -5.244 1.018 -10.145 308 1HB ASP 38 1HB ASP 38 -6.138 -1.006 -11.330 309 2HB ASP 38 2HB ASP 38 -5.085 -2.055 -10.359 310 H LEU 39 H LEU 39 -2.618 -1.429 -9.359 311 HA LEU 39 HA LEU 39 -2.466 -1.062 -6.574 312 1HB LEU 39 1HB LEU 39 -0.333 -1.581 -8.681 313 2HB LEU 39 2HB LEU 39 0.236 -1.150 -7.085 314 HG LEU 39 HG LEU 39 -1.696 -3.494 -7.497 315 1HD1 LEU 39 1HD1 LEU 39 0.309 -4.982 -7.419 316 2HD1 LEU 39 2HD1 LEU 39 0.333 -3.924 -8.853 317 3HD1 LEU 39 3HD1 LEU 39 1.398 -3.548 -7.449 318 1HD2 LEU 39 1HD2 LEU 39 -0.786 -4.259 -5.290 319 2HD2 LEU 39 2HD2 LEU 39 0.261 -2.807 -5.190 320 3HD2 LEU 39 3HD2 LEU 39 -1.527 -2.637 -5.121 321 H PHE 40 H PHE 40 -0.862 1.031 -8.988 322 HA PHE 40 HA PHE 40 -0.095 3.005 -6.919 323 1HB PHE 40 1HB PHE 40 0.302 3.060 -9.946 324 2HB PHE 40 2HB PHE 40 0.993 4.236 -8.797 325 HD1 PHE 40 HD1 PHE 40 2.588 3.188 -6.885 326 HD2 PHE 40 HD2 PHE 40 1.509 1.062 -10.463 327 HE1 PHE 40 HE1 PHE 40 4.311 1.487 -6.411 328 HE2 PHE 40 HE2 PHE 40 3.169 -0.669 -9.936 329 HZ PHE 40 HZ PHE 40 4.581 -0.469 -7.921 330 H ASP 41 H ASP 41 -2.644 3.008 -9.510 331 HA ASP 41 HA ASP 41 -3.731 5.562 -8.496 332 1HB ASP 41 1HB ASP 41 -3.643 4.702 -10.980 333 2HB ASP 41 2HB ASP 41 -5.025 3.684 -10.549 334 H ALA 42 H ALA 42 -3.915 4.609 -6.284 335 HA ALA 42 HA ALA 42 -5.629 2.343 -5.756 336 1HB ALA 42 1HB ALA 42 -3.678 2.906 -4.329 337 2HB ALA 42 2HB ALA 42 -5.164 2.746 -3.348 338 3HB ALA 42 3HB ALA 42 -4.516 4.374 -3.730 339 H ASP 43 H ASP 43 -6.390 5.811 -5.068 340 HA ASP 43 HA ASP 43 -9.084 5.053 -4.048 341 1HB ASP 43 1HB ASP 43 -7.538 7.706 -4.095 342 2HB ASP 43 2HB ASP 43 -9.222 7.573 -3.520 343 H GLY 44 H GLY 44 -7.966 5.793 -7.169 344 1HA GLY 44 1HA GLY 44 -9.393 5.986 -9.087 345 2HA GLY 44 2HA GLY 44 -10.670 6.716 -8.106 346 H THR 45 H THR 45 -7.603 7.265 -9.744 347 HA THR 45 HA THR 45 -7.822 10.245 -9.306 348 HB THR 45 HB THR 45 -5.289 10.284 -9.445 349 HG1 THR 45 HG1 THR 45 -5.045 8.283 -10.449 350 1HG2 THR 45 1HG2 THR 45 -6.403 8.506 -7.163 351 2HG2 THR 45 2HG2 THR 45 -6.345 10.305 -7.164 352 3HG2 THR 45 3HG2 THR 45 -4.830 9.348 -7.187 353 H GLY 46 H GLY 46 -6.068 8.145 -11.709 354 1HA GLY 46 1HA GLY 46 -7.017 8.710 -14.191 355 2HA GLY 46 2HA GLY 46 -6.523 10.337 -13.707 356 H THR 47 H THR 47 -4.153 10.094 -12.500 357 HA THR 47 HA THR 47 -2.393 8.923 -14.623 358 HB THR 47 HB THR 47 -0.710 10.775 -14.156 359 HG1 THR 47 HG1 THR 47 -1.190 12.292 -12.785 360 1HG2 THR 47 1HG2 THR 47 -3.435 11.706 -15.270 361 2HG2 THR 47 2HG2 THR 47 -1.849 12.511 -15.501 362 3HG2 THR 47 3HG2 THR 47 -2.130 10.887 -16.189 363 H ILE 48 H ILE 48 -0.617 7.900 -14.095 364 HA ILE 48 HA ILE 48 0.125 7.438 -11.207 365 HB ILE 48 HB ILE 48 -0.531 5.282 -12.030 366 1HG1 ILE 48 1HG1 ILE 48 2.526 5.536 -12.367 367 2HG1 ILE 48 2HG1 ILE 48 1.679 5.031 -10.882 368 1HG2 ILE 48 1HG2 ILE 48 -0.559 5.966 -14.344 369 2HG2 ILE 48 2HG2 ILE 48 1.145 6.009 -14.558 370 3HG2 ILE 48 3HG2 ILE 48 0.346 4.461 -14.250 371 1HD1 ILE 48 1HD1 ILE 48 1.798 3.461 -13.584 372 2HD1 ILE 48 2HD1 ILE 48 0.899 2.911 -12.139 373 3HD1 ILE 48 3HD1 ILE 48 2.685 3.081 -12.095 374 H ASP 49 H ASP 49 1.900 8.492 -10.740 375 HA ASP 49 HA ASP 49 3.323 9.940 -12.947 376 1HB ASP 49 1HB ASP 49 2.814 10.901 -10.083 377 2HB ASP 49 2HB ASP 49 4.035 11.600 -11.149 378 H VAL 50 H VAL 50 5.383 10.434 -12.895 379 HA VAL 50 HA VAL 50 7.104 8.685 -13.331 380 HB VAL 50 HB VAL 50 7.346 11.245 -13.504 381 1HG1 VAL 50 1HG1 VAL 50 7.542 11.898 -11.078 382 2HG1 VAL 50 2HG1 VAL 50 8.891 12.445 -12.106 383 3HG1 VAL 50 3HG1 VAL 50 9.141 11.059 -11.011 384 1HG2 VAL 50 1HG2 VAL 50 9.722 9.410 -13.146 385 2HG2 VAL 50 2HG2 VAL 50 8.706 9.724 -14.629 386 3HG2 VAL 50 3HG2 VAL 50 9.750 11.028 -13.965 387 H LYS 51 H LYS 51 7.251 9.600 -9.870 388 HA LYS 51 HA LYS 51 9.236 7.709 -8.992 389 1HB LYS 51 1HB LYS 51 6.705 8.785 -7.645 390 2HB LYS 51 2HB LYS 51 7.949 7.889 -6.761 391 1HG LYS 51 1HG LYS 51 9.576 9.736 -7.044 392 2HG LYS 51 2HG LYS 51 8.542 10.550 -8.237 393 1HD LYS 51 1HD LYS 51 6.707 10.701 -6.407 394 2HD LYS 51 2HD LYS 51 7.939 10.163 -5.239 395 1HE LYS 51 1HE LYS 51 9.354 12.197 -5.835 396 2HE LYS 51 2HE LYS 51 8.124 12.699 -7.029 397 1HZ LYS 51 1HZ LYS 51 7.633 12.378 -4.082 398 2HZ LYS 51 2HZ LYS 51 7.793 13.844 -4.882 399 3HZ LYS 51 3HZ LYS 51 6.486 12.844 -5.204 400 H GLU 52 H GLU 52 5.706 7.313 -8.880 401 HA GLU 52 HA GLU 52 5.602 4.474 -8.267 402 1HB GLU 52 1HB GLU 52 3.493 6.477 -9.277 403 2HB GLU 52 2HB GLU 52 3.147 4.840 -8.693 404 1HG GLU 52 1HG GLU 52 4.082 5.521 -6.371 405 2HG GLU 52 2HG GLU 52 4.264 7.189 -6.982 406 H LEU 53 H LEU 53 5.136 6.301 -11.413 407 HA LEU 53 HA LEU 53 4.704 4.027 -13.062 408 1HB LEU 53 1HB LEU 53 4.381 6.462 -13.653 409 2HB LEU 53 2HB LEU 53 6.140 6.649 -13.713 410 HG LEU 53 HG LEU 53 6.165 4.883 -15.597 411 1HD1 LEU 53 1HD1 LEU 53 3.104 5.325 -15.578 412 2HD1 LEU 53 2HD1 LEU 53 3.939 3.797 -15.142 413 3HD1 LEU 53 3HD1 LEU 53 4.065 4.409 -16.789 414 1HD2 LEU 53 1HD2 LEU 53 4.645 7.541 -16.004 415 2HD2 LEU 53 2HD2 LEU 53 5.347 6.553 -17.333 416 3HD2 LEU 53 3HD2 LEU 53 6.412 7.284 -16.091 417 H LYS 54 H LYS 54 7.918 5.345 -12.076 418 HA LYS 54 HA LYS 54 9.417 3.420 -13.682 419 1HB LYS 54 1HB LYS 54 10.147 5.358 -11.464 420 2HB LYS 54 2HB LYS 54 11.348 4.210 -12.120 421 1HG LYS 54 1HG LYS 54 10.929 5.049 -14.450 422 2HG LYS 54 2HG LYS 54 9.715 6.200 -13.846 423 1HD LYS 54 1HD LYS 54 11.451 7.522 -12.637 424 2HD LYS 54 2HD LYS 54 12.690 6.284 -13.026 425 1HE LYS 54 1HE LYS 54 13.036 8.230 -14.539 426 2HE LYS 54 2HE LYS 54 12.575 6.790 -15.353 427 1HZ LYS 54 1HZ LYS 54 10.255 7.732 -15.535 428 2HZ LYS 54 2HZ LYS 54 11.261 8.884 -16.125 429 3HZ LYS 54 3HZ LYS 54 10.681 9.038 -14.590 430 H VAL 55 H VAL 55 8.600 3.333 -10.126 431 HA VAL 55 HA VAL 55 9.696 0.632 -9.822 432 HB VAL 55 HB VAL 55 8.294 0.363 -7.801 433 1HG1 VAL 55 1HG1 VAL 55 9.966 2.970 -7.844 434 2HG1 VAL 55 2HG1 VAL 55 10.620 1.306 -7.662 435 3HG1 VAL 55 3HG1 VAL 55 9.546 1.992 -6.406 436 1HG2 VAL 55 1HG2 VAL 55 7.420 3.292 -8.144 437 2HG2 VAL 55 2HG2 VAL 55 7.023 2.187 -6.801 438 3HG2 VAL 55 3HG2 VAL 55 6.343 1.886 -8.429 439 H ALA 56 H ALA 56 6.689 1.732 -11.111 440 HA ALA 56 HA ALA 56 5.269 -0.826 -11.256 441 1HB ALA 56 1HB ALA 56 3.733 0.244 -12.832 442 2HB ALA 56 2HB ALA 56 4.117 1.402 -11.525 443 3HB ALA 56 3HB ALA 56 4.887 1.588 -13.120 444 H MET 57 H MET 57 7.369 0.906 -13.602 445 HA MET 57 HA MET 57 7.507 -1.329 -15.496 446 1HB MET 57 1HB MET 57 9.170 1.220 -15.263 447 2HB MET 57 2HB MET 57 9.424 -0.018 -16.518 448 1HG MET 57 1HG MET 57 6.955 0.264 -17.220 449 2HG MET 57 2HG MET 57 6.856 1.651 -16.104 450 1HE MET 57 1HE MET 57 6.187 2.149 -19.240 451 2HE MET 57 2HE MET 57 6.145 3.265 -17.825 452 3HE MET 57 3HE MET 57 7.046 3.729 -19.304 453 H ARG 58 H ARG 58 9.339 -0.741 -12.502 454 HA ARG 58 HA ARG 58 11.418 -2.716 -13.061 455 1HB ARG 58 1HB ARG 58 10.226 -1.877 -10.357 456 2HB ARG 58 2HB ARG 58 11.568 -3.026 -10.538 457 1HG ARG 58 1HG ARG 58 12.980 -1.240 -11.617 458 2HG ARG 58 2HG ARG 58 11.666 -0.059 -11.362 459 1HD ARG 58 1HD ARG 58 11.738 -0.524 -8.861 460 2HD ARG 58 2HD ARG 58 13.072 -1.704 -9.129 461 HE ARG 58 HE ARG 58 13.865 0.780 -10.345 462 1HH1 ARG 58 1HH1 ARG 58 13.284 -0.467 -7.075 463 2HH1 ARG 58 2HH1 ARG 58 14.410 0.678 -6.342 464 1HH2 ARG 58 1HH2 ARG 58 15.258 2.170 -9.380 465 2HH2 ARG 58 2HH2 ARG 58 15.510 2.148 -7.634 466 H ALA 59 H ALA 59 8.222 -3.166 -11.233 467 HA ALA 59 HA ALA 59 8.330 -6.051 -11.300 468 1HB ALA 59 1HB ALA 59 5.944 -4.127 -11.017 469 2HB ALA 59 2HB ALA 59 5.925 -5.877 -10.606 470 3HB ALA 59 3HB ALA 59 6.970 -4.750 -9.691 471 H LEU 60 H LEU 60 6.507 -3.878 -13.587 472 HA LEU 60 HA LEU 60 5.562 -6.054 -15.295 473 1HB LEU 60 1HB LEU 60 4.445 -3.918 -14.945 474 2HB LEU 60 2HB LEU 60 5.805 -3.009 -15.631 475 HG LEU 60 HG LEU 60 4.322 -5.006 -17.400 476 1HD1 LEU 60 1HD1 LEU 60 2.501 -3.719 -16.280 477 2HD1 LEU 60 2HD1 LEU 60 3.317 -2.168 -16.691 478 3HD1 LEU 60 3HD1 LEU 60 2.663 -3.220 -17.993 479 1HD2 LEU 60 1HD2 LEU 60 6.315 -3.822 -18.396 480 2HD2 LEU 60 2HD2 LEU 60 5.588 -2.235 -17.978 481 3HD2 LEU 60 3HD2 LEU 60 4.803 -3.304 -19.186 482 H GLY 61 H GLY 61 8.554 -4.260 -15.320 483 1HA GLY 61 1HA GLY 61 9.324 -3.947 -17.863 484 2HA GLY 61 2HA GLY 61 10.474 -4.406 -16.599 485 H PHE 62 H PHE 62 9.774 -7.197 -16.357 486 HA PHE 62 HA PHE 62 9.670 -9.221 -17.378 487 1HB PHE 62 1HB PHE 62 9.814 -7.928 -20.165 488 2HB PHE 62 2HB PHE 62 9.538 -9.633 -19.863 489 HD1 PHE 62 HD1 PHE 62 7.435 -10.098 -18.123 490 HD2 PHE 62 HD2 PHE 62 7.862 -6.686 -20.704 491 HE1 PHE 62 HE1 PHE 62 4.981 -9.995 -18.405 492 HE2 PHE 62 HE2 PHE 62 5.407 -6.612 -21.000 493 HZ PHE 62 HZ PHE 62 3.970 -8.306 -19.882 494 H GLU 63 H GLU 63 11.257 -10.647 -17.699 495 HA GLU 63 HA GLU 63 13.993 -9.752 -18.145 496 1HB GLU 63 1HB GLU 63 13.065 -12.602 -17.772 497 2HB GLU 63 2HB GLU 63 14.667 -12.242 -18.393 498 1HG GLU 63 1HG GLU 63 13.645 -10.838 -15.810 499 2HG GLU 63 2HG GLU 63 14.429 -12.428 -15.768 500 HA PRO 64 HA PRO 64 14.070 -10.489 -22.829 501 1HB PRO 64 1HB PRO 64 11.181 -11.352 -23.307 502 2HB PRO 64 2HB PRO 64 12.655 -11.761 -24.281 503 1HG PRO 64 1HG PRO 64 11.670 -13.641 -22.626 504 2HG PRO 64 2HG PRO 64 13.427 -13.274 -22.430 505 1HD PRO 64 1HD PRO 64 11.065 -12.065 -20.900 506 2HD PRO 64 2HD PRO 64 12.522 -12.910 -20.191 507 H LYS 65 H LYS 65 14.142 -8.209 -22.423 508 HA LYS 65 HA LYS 65 11.819 -6.568 -22.077 509 1HB LYS 65 1HB LYS 65 14.780 -5.900 -22.448 510 2HB LYS 65 2HB LYS 65 13.574 -4.636 -22.117 511 1HG LYS 65 1HG LYS 65 12.990 -5.546 -19.952 512 2HG LYS 65 2HG LYS 65 13.750 -7.086 -20.324 513 1HD LYS 65 1HD LYS 65 16.049 -5.794 -20.372 514 2HD LYS 65 2HD LYS 65 15.151 -4.473 -19.601 515 1HE LYS 65 1HE LYS 65 16.096 -5.736 -17.756 516 2HE LYS 65 2HE LYS 65 14.381 -6.210 -17.791 517 1HZ LYS 65 1HZ LYS 65 15.086 -8.199 -19.156 518 2HZ LYS 65 2HZ LYS 65 16.686 -7.797 -18.897 519 3HZ LYS 65 3HZ LYS 65 15.722 -8.257 -17.612 520 H LYS 66 H LYS 66 13.829 -6.766 -25.049 521 HA LYS 66 HA LYS 66 13.663 -5.738 -27.091 522 1HB LYS 66 1HB LYS 66 10.696 -5.675 -26.348 523 2HB LYS 66 2HB LYS 66 11.219 -4.954 -27.858 524 1HG LYS 66 1HG LYS 66 11.814 -7.890 -27.101 525 2HG LYS 66 2HG LYS 66 10.365 -7.353 -27.973 526 1HD LYS 66 1HD LYS 66 11.736 -6.403 -29.819 527 2HD LYS 66 2HD LYS 66 13.244 -6.860 -28.985 528 1HE LYS 66 1HE LYS 66 12.623 -9.302 -29.149 529 2HE LYS 66 2HE LYS 66 11.090 -8.867 -29.958 530 1HZ LYS 66 1HZ LYS 66 12.840 -9.428 -31.595 531 2HZ LYS 66 2HZ LYS 66 12.395 -7.819 -31.753 532 3HZ LYS 66 3HZ LYS 66 13.834 -8.214 -31.000 533 H GLU 67 H GLU 67 12.880 -3.603 -28.277 534 HA GLU 67 HA GLU 67 14.111 -1.358 -26.732 535 1HB GLU 67 1HB GLU 67 13.352 -1.761 -29.667 536 2HB GLU 67 2HB GLU 67 13.679 -0.141 -29.036 537 1HG GLU 67 1HG GLU 67 16.025 -0.746 -28.428 538 2HG GLU 67 2HG GLU 67 15.767 -2.426 -28.966 539 H GLU 68 H GLU 68 12.251 -1.432 -25.207 540 HA GLU 68 HA GLU 68 10.223 0.588 -25.957 541 1HB GLU 68 1HB GLU 68 8.282 -0.787 -25.269 542 2HB GLU 68 2HB GLU 68 9.122 -1.355 -26.723 543 1HG GLU 68 1HG GLU 68 10.183 -3.247 -25.418 544 2HG GLU 68 2HG GLU 68 9.266 -2.738 -23.964 545 H ILE 69 H ILE 69 11.372 -1.311 -22.989 546 HA ILE 69 HA ILE 69 9.749 0.511 -21.382 547 HB ILE 69 HB ILE 69 11.723 -1.648 -20.421 548 1HG1 ILE 69 1HG1 ILE 69 9.307 -2.295 -21.447 549 2HG1 ILE 69 2HG1 ILE 69 9.806 -2.942 -19.891 550 1HG2 ILE 69 1HG2 ILE 69 10.757 -1.134 -18.137 551 2HG2 ILE 69 2HG2 ILE 69 11.736 0.219 -18.780 552 3HG2 ILE 69 3HG2 ILE 69 9.960 0.311 -18.836 553 1HD1 ILE 69 1HD1 ILE 69 8.467 -1.178 -18.684 554 2HD1 ILE 69 2HD1 ILE 69 8.007 -0.449 -20.261 555 3HD1 ILE 69 3HD1 ILE 69 7.457 -2.100 -19.828 556 H LYS 70 H LYS 70 13.258 0.464 -22.032 557 HA LYS 70 HA LYS 70 13.824 2.852 -20.428 558 1HB LYS 70 1HB LYS 70 15.519 1.078 -21.072 559 2HB LYS 70 2HB LYS 70 15.521 1.745 -22.719 560 1HG LYS 70 1HG LYS 70 16.289 3.974 -21.776 561 2HG LYS 70 2HG LYS 70 16.179 3.314 -20.126 562 1HD LYS 70 1HD LYS 70 17.923 1.555 -20.745 563 2HD LYS 70 2HD LYS 70 18.076 2.315 -22.351 564 1HE LYS 70 1HE LYS 70 18.804 4.490 -21.232 565 2HE LYS 70 2HE LYS 70 18.656 3.710 -19.634 566 1HZ LYS 70 1HZ LYS 70 20.489 2.802 -21.835 567 2HZ LYS 70 2HZ LYS 70 20.966 3.626 -20.456 568 3HZ LYS 70 3HZ LYS 70 20.348 2.071 -20.338 569 H LYS 71 H LYS 71 12.875 2.335 -23.818 570 HA LYS 71 HA LYS 71 13.008 5.136 -24.652 571 1HB LYS 71 1HB LYS 71 11.502 2.751 -25.855 572 2HB LYS 71 2HB LYS 71 11.455 4.396 -26.539 573 1HG LYS 71 1HG LYS 71 13.986 4.357 -26.783 574 2HG LYS 71 2HG LYS 71 13.996 2.669 -26.226 575 1HD LYS 71 1HD LYS 71 12.486 2.044 -28.176 576 2HD LYS 71 2HD LYS 71 12.535 3.737 -28.739 577 1HE LYS 71 1HE LYS 71 15.072 3.567 -28.990 578 2HE LYS 71 2HE LYS 71 15.002 1.886 -28.412 579 1HZ LYS 71 1HZ LYS 71 13.260 1.736 -30.449 580 2HZ LYS 71 2HZ LYS 71 14.279 2.932 -31.060 581 3HZ LYS 71 3HZ LYS 71 14.896 1.436 -30.587 582 H MET 72 H MET 72 10.174 3.133 -23.424 583 HA MET 72 HA MET 72 8.226 5.226 -23.605 584 1HB MET 72 1HB MET 72 8.397 2.634 -22.044 585 2HB MET 72 2HB MET 72 7.174 3.823 -21.572 586 1HG MET 72 1HG MET 72 6.040 2.391 -23.025 587 2HG MET 72 2HG MET 72 6.278 3.881 -23.956 588 1HE MET 72 1HE MET 72 8.078 4.235 -25.691 589 2HE MET 72 2HE MET 72 8.804 2.940 -26.685 590 3HE MET 72 3HE MET 72 7.041 3.297 -26.812 591 H ILE 73 H ILE 73 10.450 4.539 -20.723 592 HA ILE 73 HA ILE 73 9.361 6.818 -19.260 593 HB ILE 73 HB ILE 73 12.070 5.452 -18.760 594 1HG1 ILE 73 1HG1 ILE 73 10.124 3.925 -18.287 595 2HG1 ILE 73 2HG1 ILE 73 10.988 4.418 -16.835 596 1HG2 ILE 73 1HG2 ILE 73 10.397 7.483 -17.236 597 2HG2 ILE 73 2HG2 ILE 73 11.898 6.659 -16.808 598 3HG2 ILE 73 3HG2 ILE 73 11.956 7.864 -18.016 599 1HD1 ILE 73 1HD1 ILE 73 8.244 5.511 -17.734 600 2HD1 ILE 73 2HD1 ILE 73 8.593 4.465 -16.325 601 3HD1 ILE 73 3HD1 ILE 73 9.157 6.153 -16.329 602 H SER 74 H SER 74 12.363 6.640 -21.358 603 HA SER 74 HA SER 74 12.945 9.441 -21.083 604 1HB SER 74 1HB SER 74 13.697 7.430 -23.282 605 2HB SER 74 2HB SER 74 14.415 9.064 -23.144 606 HG SER 74 HG SER 74 15.041 8.428 -20.973 607 H GLU 75 H GLU 75 10.797 7.851 -23.382 608 HA GLU 75 HA GLU 75 10.185 10.091 -25.089 609 1HB GLU 75 1HB GLU 75 9.995 7.688 -25.636 610 2HB GLU 75 2HB GLU 75 8.710 7.482 -24.431 611 1HG GLU 75 1HG GLU 75 7.182 8.915 -25.854 612 2HG GLU 75 2HG GLU 75 8.508 9.143 -27.042 613 H ILE 76 H ILE 76 8.164 8.751 -22.305 614 HA ILE 76 HA ILE 76 6.473 11.155 -22.456 615 HB ILE 76 HB ILE 76 6.086 8.999 -20.304 616 1HG1 ILE 76 1HG1 ILE 76 5.431 8.791 -23.305 617 2HG1 ILE 76 2HG1 ILE 76 5.633 7.498 -22.118 618 1HG2 ILE 76 1HG2 ILE 76 4.281 11.089 -21.674 619 2HG2 ILE 76 2HG2 ILE 76 5.011 11.257 -20.045 620 3HG2 ILE 76 3HG2 ILE 76 3.813 10.004 -20.316 621 1HD1 ILE 76 1HD1 ILE 76 3.181 9.345 -22.380 622 2HD1 ILE 76 2HD1 ILE 76 3.387 8.073 -21.122 623 3HD1 ILE 76 3HD1 ILE 76 3.292 7.632 -22.864 624 H ASP 77 H ASP 77 9.334 10.476 -20.514 625 HA ASP 77 HA ASP 77 8.895 12.798 -18.755 626 1HB ASP 77 1HB ASP 77 11.599 11.410 -19.338 627 2HB ASP 77 2HB ASP 77 11.415 12.909 -18.415 628 H LYS 78 H LYS 78 8.122 14.386 -20.199 629 HA LYS 78 HA LYS 78 10.131 15.624 -22.055 630 1HB LYS 78 1HB LYS 78 8.159 14.019 -22.943 631 2HB LYS 78 2HB LYS 78 7.156 15.422 -22.702 632 1HG LYS 78 1HG LYS 78 7.696 15.976 -24.807 633 2HG LYS 78 2HG LYS 78 9.245 16.566 -24.198 634 1HD LYS 78 1HD LYS 78 8.641 13.762 -25.404 635 2HD LYS 78 2HD LYS 78 9.413 15.119 -26.227 636 1HE LYS 78 1HE LYS 78 11.215 13.682 -25.734 637 2HE LYS 78 2HE LYS 78 11.372 14.963 -24.506 638 1HZ LYS 78 1HZ LYS 78 11.431 12.376 -23.812 639 2HZ LYS 78 2HZ LYS 78 10.688 13.479 -22.816 640 3HZ LYS 78 3HZ LYS 78 9.774 12.538 -23.856 641 H GLU 79 H GLU 79 7.048 16.524 -20.449 642 HA GLU 79 HA GLU 79 7.626 19.395 -21.035 643 1HB GLU 79 1HB GLU 79 4.962 18.368 -19.909 644 2HB GLU 79 2HB GLU 79 5.335 19.900 -20.715 645 1HG GLU 79 1HG GLU 79 4.063 18.700 -22.301 646 2HG GLU 79 2HG GLU 79 5.726 18.546 -22.908 647 H GLY 80 H GLY 80 6.452 17.465 -18.320 648 1HA GLY 80 1HA GLY 80 8.114 18.974 -16.377 649 2HA GLY 80 2HA GLY 80 6.381 18.818 -16.021 650 H THR 81 H THR 81 8.859 16.631 -17.350 651 HA THR 81 HA THR 81 9.475 14.485 -16.949 652 HB THR 81 HB THR 81 9.561 13.570 -14.607 653 HG1 THR 81 HG1 THR 81 8.364 16.046 -13.906 654 1HG2 THR 81 1HG2 THR 81 11.409 15.042 -15.443 655 2HG2 THR 81 2HG2 THR 81 10.534 16.489 -14.838 656 3HG2 THR 81 3HG2 THR 81 11.101 15.241 -13.692 657 H GLY 82 H GLY 82 8.536 12.224 -16.115 658 1HA GLY 82 1HA GLY 82 6.315 11.833 -17.932 659 2HA GLY 82 2HA GLY 82 7.257 10.591 -17.130 660 H LYS 83 H LYS 83 4.521 12.395 -17.156 661 HA LYS 83 HA LYS 83 3.181 10.790 -14.989 662 1HB LYS 83 1HB LYS 83 1.350 12.260 -14.800 663 2HB LYS 83 2HB LYS 83 2.849 13.114 -14.453 664 1HG LYS 83 1HG LYS 83 1.164 13.379 -17.050 665 2HG LYS 83 2HG LYS 83 1.109 14.444 -15.645 666 1HD LYS 83 1HD LYS 83 2.626 15.758 -16.617 667 2HD LYS 83 2HD LYS 83 3.839 14.533 -16.215 668 1HE LYS 83 1HE LYS 83 3.358 13.449 -18.558 669 2HE LYS 83 2HE LYS 83 2.293 14.836 -18.901 670 1HZ LYS 83 1HZ LYS 83 5.227 14.909 -18.279 671 2HZ LYS 83 2HZ LYS 83 4.486 15.439 -19.719 672 3HZ LYS 83 3HZ LYS 83 4.263 16.283 -18.296 673 H MET 84 H MET 84 1.708 9.307 -15.592 674 HA MET 84 HA MET 84 1.121 9.024 -18.532 675 1HB MET 84 1HB MET 84 2.939 7.457 -17.424 676 2HB MET 84 2HB MET 84 1.566 6.620 -16.699 677 1HG MET 84 1HG MET 84 0.715 5.989 -18.933 678 2HG MET 84 2HG MET 84 1.841 7.127 -19.735 679 1HE MET 84 1HE MET 84 1.882 4.638 -20.974 680 2HE MET 84 2HE MET 84 3.418 3.725 -20.768 681 3HE MET 84 3HE MET 84 3.455 5.459 -21.266 682 H ASN 85 H ASN 85 -0.998 8.595 -19.063 683 HA ASN 85 HA ASN 85 -2.906 7.908 -16.842 684 1HB ASN 85 1HB ASN 85 -4.675 8.869 -17.921 685 2HB ASN 85 2HB ASN 85 -3.365 10.034 -18.175 686 1HD2 ASN 85 1HD2 ASN 85 -2.399 9.751 -20.675 687 2HD2 ASN 85 2HD2 ASN 85 -3.785 9.636 -21.737 688 H PHE 86 H PHE 86 -4.762 6.419 -17.692 689 HA PHE 86 HA PHE 86 -3.402 3.917 -18.367 690 1HB PHE 86 1HB PHE 86 -5.257 4.104 -16.647 691 2HB PHE 86 2HB PHE 86 -6.420 4.228 -17.994 692 HD1 PHE 86 HD1 PHE 86 -7.498 2.150 -18.395 693 HD2 PHE 86 HD2 PHE 86 -3.396 2.026 -17.092 694 HE1 PHE 86 HE1 PHE 86 -7.553 -0.318 -18.407 695 HE2 PHE 86 HE2 PHE 86 -3.498 -0.339 -17.016 696 HZ PHE 86 HZ PHE 86 -5.527 -1.611 -17.799 697 H GLY 87 H GLY 87 -5.150 6.218 -20.370 698 1HA GLY 87 1HA GLY 87 -5.553 4.501 -22.700 699 2HA GLY 87 2HA GLY 87 -5.487 6.269 -22.679 700 H ASP 88 H ASP 88 -2.792 6.672 -21.693 701 HA ASP 88 HA ASP 88 -1.054 6.072 -23.911 702 1HB ASP 88 1HB ASP 88 0.154 6.606 -21.163 703 2HB ASP 88 2HB ASP 88 0.777 7.017 -22.764 704 H PHE 89 H PHE 89 -1.225 4.655 -20.617 705 HA PHE 89 HA PHE 89 0.700 2.609 -20.836 706 1HB PHE 89 1HB PHE 89 -0.745 3.632 -18.814 707 2HB PHE 89 2HB PHE 89 -1.865 2.333 -19.191 708 HD1 PHE 89 HD1 PHE 89 1.712 3.070 -18.196 709 HD2 PHE 89 HD2 PHE 89 -1.505 0.370 -18.099 710 HE1 PHE 89 HE1 PHE 89 2.944 1.724 -16.529 711 HE2 PHE 89 HE2 PHE 89 -0.274 -1.032 -16.369 712 HZ PHE 89 HZ PHE 89 1.922 -0.353 -15.623 713 H LEU 90 H LEU 90 -2.761 2.259 -21.580 714 HA LEU 90 HA LEU 90 -2.572 -0.600 -22.269 715 1HB LEU 90 1HB LEU 90 -4.806 1.436 -22.338 716 2HB LEU 90 2HB LEU 90 -4.938 0.121 -23.503 717 HG LEU 90 HG LEU 90 -4.891 -0.278 -20.444 718 1HD1 LEU 90 1HD1 LEU 90 -7.118 -0.544 -22.571 719 2HD1 LEU 90 2HD1 LEU 90 -6.983 0.753 -21.337 720 3HD1 LEU 90 3HD1 LEU 90 -7.274 -0.940 -20.830 721 1HD2 LEU 90 1HD2 LEU 90 -5.452 -2.638 -20.905 722 2HD2 LEU 90 2HD2 LEU 90 -5.228 -2.383 -22.671 723 3HD2 LEU 90 3HD2 LEU 90 -3.831 -2.246 -21.546 724 H THR 91 H THR 91 -2.787 2.383 -24.362 725 HA THR 91 HA THR 91 -2.666 0.881 -26.843 726 HB THR 91 HB THR 91 -2.221 3.081 -27.951 727 HG1 THR 91 HG1 THR 91 -2.273 4.896 -26.490 728 1HG2 THR 91 1HG2 THR 91 -4.504 3.260 -25.881 729 2HG2 THR 91 2HG2 THR 91 -4.603 2.493 -27.505 730 3HG2 THR 91 3HG2 THR 91 -4.300 4.250 -27.355 731 H VAL 92 H VAL 92 -0.041 2.585 -24.993 732 HA VAL 92 HA VAL 92 1.979 1.869 -26.911 733 HB VAL 92 HB VAL 92 1.953 3.768 -25.147 734 1HG1 VAL 92 1HG1 VAL 92 3.598 1.775 -23.465 735 2HG1 VAL 92 2HG1 VAL 92 3.363 3.521 -23.176 736 3HG1 VAL 92 3HG1 VAL 92 1.973 2.409 -23.020 737 1HG2 VAL 92 1HG2 VAL 92 4.590 2.324 -25.812 738 2HG2 VAL 92 2HG2 VAL 92 3.697 3.443 -26.906 739 3HG2 VAL 92 3HG2 VAL 92 4.388 4.054 -25.375 740 H MET 93 H MET 93 1.238 0.171 -23.761 741 HA MET 93 HA MET 93 3.115 -1.982 -24.226 742 1HB MET 93 1HB MET 93 0.590 -1.808 -22.513 743 2HB MET 93 2HB MET 93 1.487 -3.331 -22.667 744 1HG MET 93 1HG MET 93 2.248 -2.279 -20.648 745 2HG MET 93 2HG MET 93 3.588 -2.222 -21.812 746 1HE MET 93 1HE MET 93 3.297 -0.511 -19.068 747 2HE MET 93 2HE MET 93 4.740 -0.422 -20.147 748 3HE MET 93 3HE MET 93 3.914 1.087 -19.612 749 H THR 94 H THR 94 -0.367 -1.830 -25.325 750 HA THR 94 HA THR 94 -0.313 -4.433 -26.590 751 HB THR 94 HB THR 94 -2.113 -2.066 -27.386 752 HG1 THR 94 HG1 THR 94 -2.050 -3.791 -25.203 753 1HG2 THR 94 1HG2 THR 94 -2.331 -4.066 -28.909 754 2HG2 THR 94 2HG2 THR 94 -3.774 -3.865 -27.866 755 3HG2 THR 94 3HG2 THR 94 -2.556 -5.122 -27.477 756 H GLN 95 H GLN 95 0.115 -1.161 -28.214 757 HA GLN 95 HA GLN 95 0.796 -2.201 -30.767 758 1HB GLN 95 1HB GLN 95 0.024 0.126 -30.139 759 2HB GLN 95 2HB GLN 95 1.622 0.450 -29.448 760 1HG GLN 95 1HG GLN 95 2.631 0.120 -31.780 761 2HG GLN 95 2HG GLN 95 0.983 -0.176 -32.415 762 1HE2 GLN 95 1HE2 GLN 95 1.926 1.719 -33.783 763 2HE2 GLN 95 2HE2 GLN 95 1.517 3.342 -33.189 764 H LYS 96 H LYS 96 3.116 -1.532 -28.070 765 HA LYS 96 HA LYS 96 5.421 -2.268 -29.726 766 1HB LYS 96 1HB LYS 96 5.223 -1.919 -26.695 767 2HB LYS 96 2HB LYS 96 6.728 -2.167 -27.590 768 1HG LYS 96 1HG LYS 96 4.850 0.278 -27.764 769 2HG LYS 96 2HG LYS 96 6.430 0.213 -26.991 770 1HD LYS 96 1HD LYS 96 5.846 -0.047 -30.018 771 2HD LYS 96 2HD LYS 96 6.389 1.429 -29.221 772 1HE LYS 96 1HE LYS 96 8.078 -1.175 -29.245 773 2HE LYS 96 2HE LYS 96 8.195 0.070 -30.509 774 1HZ LYS 96 1HZ LYS 96 8.494 0.759 -27.628 775 2HZ LYS 96 2HZ LYS 96 9.818 0.254 -28.521 776 3HZ LYS 96 3HZ LYS 96 8.988 1.663 -28.947 777 H MET 97 H MET 97 3.816 -4.192 -27.027 778 HA MET 97 HA MET 97 5.474 -6.505 -27.718 779 1HB MET 97 1HB MET 97 3.198 -6.052 -25.727 780 2HB MET 97 2HB MET 97 3.821 -7.687 -26.026 781 1HG MET 97 1HG MET 97 5.591 -5.372 -25.021 782 2HG MET 97 2HG MET 97 4.849 -6.651 -24.033 783 1HE MET 97 1HE MET 97 8.708 -7.664 -24.195 784 2HE MET 97 2HE MET 97 7.318 -7.307 -23.112 785 3HE MET 97 3HE MET 97 8.016 -6.009 -24.145 786 H SER 98 H SER 98 1.850 -6.102 -28.113 787 HA SER 98 HA SER 98 1.531 -8.908 -28.953 788 1HB SER 98 1HB SER 98 -0.500 -6.768 -28.680 789 2HB SER 98 2HB SER 98 -0.743 -8.431 -29.317 790 HG SER 98 HG SER 98 -0.981 -8.613 -27.203 Start of MODEL 20 1 1H MET 1 1H MET 1 7.611 -26.782 -42.987 2 2H MET 1 2H MET 1 8.937 -27.615 -43.655 3 3H MET 1 3H MET 1 7.893 -26.721 -44.658 4 HA MET 1 HA MET 1 7.496 -29.038 -44.871 5 1HB MET 1 1HB MET 1 8.180 -29.678 -42.527 6 2HB MET 1 2HB MET 1 6.697 -28.915 -41.887 7 1HG MET 1 1HG MET 1 6.487 -31.363 -41.992 8 2HG MET 1 2HG MET 1 5.288 -30.573 -43.047 9 1HE MET 1 1HE MET 1 9.229 -31.359 -43.643 10 2HE MET 1 2HE MET 1 9.067 -32.973 -44.407 11 3HE MET 1 3HE MET 1 8.507 -32.724 -42.719 12 H ALA 2 H ALA 2 4.957 -27.963 -42.429 13 HA ALA 2 HA ALA 2 3.019 -27.771 -44.591 14 1HB ALA 2 1HB ALA 2 2.673 -27.282 -41.579 15 2HB ALA 2 2HB ALA 2 2.332 -28.822 -42.449 16 3HB ALA 2 3HB ALA 2 1.347 -27.358 -42.801 17 H SER 3 H SER 3 3.822 -25.879 -45.806 18 HA SER 3 HA SER 3 4.318 -23.396 -44.485 19 1HB SER 3 1HB SER 3 3.980 -23.937 -47.489 20 2HB SER 3 2HB SER 3 4.734 -22.477 -46.739 21 HG SER 3 HG SER 3 6.238 -24.051 -47.402 22 H ASN 4 H ASN 4 2.441 -22.594 -43.430 23 HA ASN 4 HA ASN 4 -0.103 -22.490 -44.828 24 1HB ASN 4 1HB ASN 4 0.741 -21.722 -41.988 25 2HB ASN 4 2HB ASN 4 -0.848 -21.203 -42.645 26 1HD2 ASN 4 1HD2 ASN 4 1.099 -24.333 -42.502 27 2HD2 ASN 4 2HD2 ASN 4 -0.279 -25.299 -42.105 28 H PHE 5 H PHE 5 0.367 -21.007 -46.615 29 HA PHE 5 HA PHE 5 0.689 -18.161 -46.014 30 1HB PHE 5 1HB PHE 5 -0.187 -19.514 -48.649 31 2HB PHE 5 2HB PHE 5 0.288 -17.782 -48.450 32 HD1 PHE 5 HD1 PHE 5 1.475 -21.119 -49.120 33 HD2 PHE 5 HD2 PHE 5 2.664 -17.329 -47.471 34 HE1 PHE 5 HE1 PHE 5 3.850 -21.723 -49.439 35 HE2 PHE 5 HE2 PHE 5 5.038 -17.941 -47.784 36 HZ PHE 5 HZ PHE 5 5.638 -20.138 -48.768 37 H LYS 6 H LYS 6 -1.106 -18.062 -44.418 38 HA LYS 6 HA LYS 6 -3.851 -18.023 -45.588 39 1HB LYS 6 1HB LYS 6 -3.199 -20.146 -44.383 40 2HB LYS 6 2HB LYS 6 -2.892 -19.186 -42.905 41 1HG LYS 6 1HG LYS 6 -5.325 -18.683 -42.713 42 2HG LYS 6 2HG LYS 6 -5.616 -19.393 -44.344 43 1HD LYS 6 1HD LYS 6 -6.292 -21.052 -42.707 44 2HD LYS 6 2HD LYS 6 -4.801 -21.610 -43.543 45 1HE LYS 6 1HE LYS 6 -3.486 -20.675 -41.443 46 2HE LYS 6 2HE LYS 6 -5.107 -20.551 -40.654 47 1HZ LYS 6 1HZ LYS 6 -3.662 -22.946 -41.644 48 2HZ LYS 6 2HZ LYS 6 -5.331 -22.987 -41.280 49 3HZ LYS 6 3HZ LYS 6 -4.197 -22.595 -40.075 50 H LYS 7 H LYS 7 -3.754 -15.620 -45.640 51 HA LYS 7 HA LYS 7 -3.210 -14.228 -43.129 52 1HB LYS 7 1HB LYS 7 -3.730 -13.277 -45.972 53 2HB LYS 7 2HB LYS 7 -3.733 -12.120 -44.608 54 1HG LYS 7 1HG LYS 7 -1.369 -13.978 -45.242 55 2HG LYS 7 2HG LYS 7 -1.522 -12.300 -45.863 56 1HD LYS 7 1HD LYS 7 -1.506 -13.024 -42.865 57 2HD LYS 7 2HD LYS 7 -0.043 -12.582 -43.804 58 1HE LYS 7 1HE LYS 7 -0.816 -10.319 -44.204 59 2HE LYS 7 2HE LYS 7 -2.482 -10.685 -43.607 60 1HZ LYS 7 1HZ LYS 7 -0.108 -10.932 -41.852 61 2HZ LYS 7 2HZ LYS 7 -0.972 -9.485 -42.060 62 3HZ LYS 7 3HZ LYS 7 -1.769 -10.853 -41.452 63 H ALA 8 H ALA 8 -5.090 -15.132 -41.924 64 HA ALA 8 HA ALA 8 -7.700 -13.962 -42.523 65 1HB ALA 8 1HB ALA 8 -8.463 -15.033 -40.408 66 2HB ALA 8 2HB ALA 8 -6.764 -15.532 -40.054 67 3HB ALA 8 3HB ALA 8 -7.628 -16.214 -41.480 68 H ASN 9 H ASN 9 -7.043 -11.654 -42.474 69 HA ASN 9 HA ASN 9 -7.196 -10.542 -39.746 70 1HB ASN 9 1HB ASN 9 -5.167 -9.569 -41.863 71 2HB ASN 9 2HB ASN 9 -5.521 -8.706 -40.321 72 1HD2 ASN 9 1HD2 ASN 9 -5.427 -10.381 -38.292 73 2HD2 ASN 9 2HD2 ASN 9 -3.940 -11.273 -38.223 74 H MET 10 H MET 10 -7.615 -9.823 -43.307 75 HA MET 10 HA MET 10 -8.562 -7.188 -42.944 76 1HB MET 10 1HB MET 10 -9.101 -9.087 -45.285 77 2HB MET 10 2HB MET 10 -9.331 -7.304 -45.299 78 1HG MET 10 1HG MET 10 -6.879 -6.999 -44.856 79 2HG MET 10 2HG MET 10 -6.650 -8.776 -44.911 80 1HE MET 10 1HE MET 10 -4.773 -8.555 -46.607 81 2HE MET 10 2HE MET 10 -4.856 -7.610 -48.133 82 3HE MET 10 3HE MET 10 -4.955 -6.766 -46.549 83 H ALA 11 H ALA 11 -10.755 -6.267 -43.278 84 HA ALA 11 HA ALA 11 -12.884 -7.913 -42.150 85 1HB ALA 11 1HB ALA 11 -12.937 -4.988 -43.071 86 2HB ALA 11 2HB ALA 11 -12.694 -5.566 -41.381 87 3HB ALA 11 3HB ALA 11 -14.265 -5.851 -42.208 88 H SER 12 H SER 12 -13.115 -9.516 -43.970 89 HA SER 12 HA SER 12 -14.100 -8.568 -46.527 90 1HB SER 12 1HB SER 12 -14.426 -11.097 -46.948 91 2HB SER 12 2HB SER 12 -12.745 -10.541 -46.616 92 HG SER 12 HG SER 12 -14.552 -11.734 -44.798 93 H SER 13 H SER 13 -16.130 -7.476 -46.229 94 HA SER 13 HA SER 13 -18.040 -8.513 -44.377 95 1HB SER 13 1HB SER 13 -17.557 -6.070 -44.753 96 2HB SER 13 2HB SER 13 -18.440 -6.177 -46.318 97 HG SER 13 HG SER 13 -20.261 -6.733 -45.189 98 H SER 14 H SER 14 -18.136 -10.702 -45.942 99 HA SER 14 HA SER 14 -20.392 -10.607 -47.795 100 1HB SER 14 1HB SER 14 -20.187 -13.198 -47.577 101 2HB SER 14 2HB SER 14 -18.792 -12.320 -48.299 102 HG SER 14 HG SER 14 -18.133 -13.808 -46.751 103 H GLN 15 H GLN 15 -19.941 -12.448 -44.662 104 HA GLN 15 HA GLN 15 -22.771 -11.939 -43.933 105 1HB GLN 15 1HB GLN 15 -20.615 -13.520 -42.403 106 2HB GLN 15 2HB GLN 15 -22.343 -13.346 -41.933 107 1HG GLN 15 1HG GLN 15 -22.977 -14.526 -44.127 108 2HG GLN 15 2HG GLN 15 -21.222 -14.798 -44.429 109 1HE2 GLN 15 1HE2 GLN 15 -23.947 -15.499 -42.165 110 2HE2 GLN 15 2HE2 GLN 15 -23.244 -16.908 -41.446 111 H ARG 16 H ARG 16 -23.009 -9.819 -43.069 112 HA ARG 16 HA ARG 16 -20.744 -8.314 -42.315 113 1HB ARG 16 1HB ARG 16 -22.830 -7.419 -43.406 114 2HB ARG 16 2HB ARG 16 -23.668 -7.558 -41.826 115 1HG ARG 16 1HG ARG 16 -22.025 -5.930 -40.836 116 2HG ARG 16 2HG ARG 16 -21.143 -5.882 -42.409 117 1HD ARG 16 1HD ARG 16 -23.235 -4.967 -43.526 118 2HD ARG 16 2HD ARG 16 -24.054 -4.939 -41.900 119 HE ARG 16 HE ARG 16 -21.505 -3.548 -41.802 120 1HH1 ARG 16 1HH1 ARG 16 -24.830 -3.191 -43.100 121 2HH1 ARG 16 2HH1 ARG 16 -24.805 -1.477 -43.115 122 1HH2 ARG 16 1HH2 ARG 16 -21.484 -1.178 -41.816 123 2HH2 ARG 16 2HH2 ARG 16 -22.854 -0.306 -42.362 124 H LYS 17 H LYS 17 -19.617 -8.485 -40.429 125 HA LYS 17 HA LYS 17 -19.072 -8.520 -38.262 126 1HB LYS 17 1HB LYS 17 -21.968 -8.856 -37.352 127 2HB LYS 17 2HB LYS 17 -20.538 -8.676 -36.294 128 1HG LYS 17 1HG LYS 17 -21.571 -6.540 -38.268 129 2HG LYS 17 2HG LYS 17 -21.925 -6.621 -36.509 130 1HD LYS 17 1HD LYS 17 -19.431 -6.425 -36.035 131 2HD LYS 17 2HD LYS 17 -19.144 -6.239 -37.796 132 1HE LYS 17 1HE LYS 17 -19.133 -4.018 -36.710 133 2HE LYS 17 2HE LYS 17 -20.559 -4.147 -37.816 134 1HZ LYS 17 1HZ LYS 17 -20.591 -4.522 -34.862 135 2HZ LYS 17 2HZ LYS 17 -21.930 -4.628 -35.899 136 3HZ LYS 17 3HZ LYS 17 -21.117 -3.151 -35.711 137 H ARG 18 H ARG 18 -17.893 -10.464 -38.620 138 HA ARG 18 HA ARG 18 -19.221 -12.990 -37.936 139 1HB ARG 18 1HB ARG 18 -19.552 -12.640 -40.400 140 2HB ARG 18 2HB ARG 18 -17.788 -12.478 -40.623 141 1HG ARG 18 1HG ARG 18 -18.514 -14.653 -41.348 142 2HG ARG 18 2HG ARG 18 -17.525 -14.897 -39.870 143 1HD ARG 18 1HD ARG 18 -19.612 -15.280 -38.506 144 2HD ARG 18 2HD ARG 18 -20.626 -14.820 -39.928 145 HE ARG 18 HE ARG 18 -20.126 -16.821 -41.024 146 1HH1 ARG 18 1HH1 ARG 18 -18.225 -16.650 -37.969 147 2HH1 ARG 18 2HH1 ARG 18 -17.773 -18.304 -37.986 148 1HH2 ARG 18 1HH2 ARG 18 -19.510 -19.080 -41.019 149 2HH2 ARG 18 2HH2 ARG 18 -18.523 -19.729 -39.772 150 H MET 19 H MET 19 -15.996 -12.377 -39.630 151 HA MET 19 HA MET 19 -14.534 -12.964 -37.190 152 1HB MET 19 1HB MET 19 -15.163 -15.256 -37.992 153 2HB MET 19 2HB MET 19 -14.409 -14.900 -39.581 154 1HG MET 19 1HG MET 19 -12.185 -14.674 -38.492 155 2HG MET 19 2HG MET 19 -12.929 -14.906 -36.875 156 1HE MET 19 1HE MET 19 -10.407 -16.392 -38.034 157 2HE MET 19 2HE MET 19 -10.695 -18.048 -37.403 158 3HE MET 19 3HE MET 19 -11.087 -16.620 -36.386 159 H SER 20 H SER 20 -13.092 -11.190 -37.355 160 HA SER 20 HA SER 20 -11.183 -11.331 -39.578 161 1HB SER 20 1HB SER 20 -11.050 -8.810 -39.760 162 2HB SER 20 2HB SER 20 -12.548 -9.544 -40.431 163 HG SER 20 HG SER 20 -12.285 -8.423 -37.847 164 HA PRO 21 HA PRO 21 -9.214 -11.106 -35.355 165 1HB PRO 21 1HB PRO 21 -7.000 -12.477 -36.996 166 2HB PRO 21 2HB PRO 21 -7.475 -12.814 -35.281 167 1HG PRO 21 1HG PRO 21 -8.337 -14.462 -37.275 168 2HG PRO 21 2HG PRO 21 -9.519 -13.918 -36.010 169 1HD PRO 21 1HD PRO 21 -9.159 -12.815 -38.857 170 2HD PRO 21 2HD PRO 21 -10.689 -13.182 -37.940 171 H LYS 22 H LYS 22 -7.914 -9.439 -34.468 172 HA LYS 22 HA LYS 22 -5.951 -8.083 -36.185 173 1HB LYS 22 1HB LYS 22 -8.212 -6.603 -34.721 174 2HB LYS 22 2HB LYS 22 -6.853 -5.823 -35.603 175 1HG LYS 22 1HG LYS 22 -7.635 -6.945 -37.731 176 2HG LYS 22 2HG LYS 22 -9.043 -7.600 -36.826 177 1HD LYS 22 1HD LYS 22 -9.717 -5.223 -36.241 178 2HD LYS 22 2HD LYS 22 -8.441 -4.632 -37.356 179 1HE LYS 22 1HE LYS 22 -10.865 -6.433 -38.093 180 2HE LYS 22 2HE LYS 22 -10.678 -4.675 -38.480 181 1HZ LYS 22 1HZ LYS 22 -8.717 -5.282 -39.798 182 2HZ LYS 22 2HZ LYS 22 -10.154 -5.991 -40.359 183 3HZ LYS 22 3HZ LYS 22 -9.022 -6.929 -39.522 184 HA PRO 23 HA PRO 23 -3.544 -7.916 -32.495 185 1HB PRO 23 1HB PRO 23 -3.191 -4.870 -32.770 186 2HB PRO 23 2HB PRO 23 -1.910 -6.102 -32.427 187 1HG PRO 23 1HG PRO 23 -2.201 -5.174 -34.957 188 2HG PRO 23 2HG PRO 23 -2.037 -6.960 -34.696 189 1HD PRO 23 1HD PRO 23 -4.602 -5.353 -35.216 190 2HD PRO 23 2HD PRO 23 -4.086 -6.966 -35.895 191 H GLU 24 H GLU 24 -3.921 -8.115 -30.321 192 HA GLU 24 HA GLU 24 -5.067 -5.994 -28.742 193 1HB GLU 24 1HB GLU 24 -6.820 -7.899 -29.859 194 2HB GLU 24 2HB GLU 24 -6.570 -8.553 -28.224 195 1HG GLU 24 1HG GLU 24 -7.385 -5.603 -28.731 196 2HG GLU 24 2HG GLU 24 -8.579 -6.945 -28.768 197 H LEU 25 H LEU 25 -5.083 -6.651 -26.348 198 HA LEU 25 HA LEU 25 -2.731 -8.307 -25.724 199 1HB LEU 25 1HB LEU 25 -4.307 -6.990 -23.495 200 2HB LEU 25 2HB LEU 25 -2.595 -7.451 -23.589 201 HG LEU 25 HG LEU 25 -2.485 -5.480 -25.414 202 1HD1 LEU 25 1HD1 LEU 25 -4.106 -3.591 -24.572 203 2HD1 LEU 25 2HD1 LEU 25 -4.813 -4.848 -25.629 204 3HD1 LEU 25 3HD1 LEU 25 -5.085 -4.898 -23.845 205 1HD2 LEU 25 1HD2 LEU 25 -1.937 -3.880 -23.588 206 2HD2 LEU 25 2HD2 LEU 25 -1.258 -5.511 -23.249 207 3HD2 LEU 25 3HD2 LEU 25 -2.744 -4.963 -22.390 208 H THR 26 H THR 26 -2.942 -10.381 -24.442 209 HA THR 26 HA THR 26 -5.628 -11.497 -24.691 210 HB THR 26 HB THR 26 -4.466 -13.670 -24.145 211 HG1 THR 26 HG1 THR 26 -2.259 -13.608 -24.039 212 1HG2 THR 26 1HG2 THR 26 -3.279 -13.726 -26.331 213 2HG2 THR 26 2HG2 THR 26 -3.244 -11.926 -26.404 214 3HG2 THR 26 3HG2 THR 26 -4.815 -12.805 -26.477 215 H GLU 27 H GLU 27 -4.378 -13.301 -22.210 216 HA GLU 27 HA GLU 27 -6.235 -12.048 -20.311 217 1HB GLU 27 1HB GLU 27 -4.896 -14.823 -20.228 218 2HB GLU 27 2HB GLU 27 -6.137 -14.201 -19.092 219 1HG GLU 27 1HG GLU 27 -7.238 -15.698 -20.608 220 2HG GLU 27 2HG GLU 27 -7.775 -14.033 -21.040 221 H GLU 28 H GLU 28 -3.012 -13.742 -20.069 222 HA GLU 28 HA GLU 28 -2.194 -12.601 -17.636 223 1HB GLU 28 1HB GLU 28 -1.254 -14.652 -18.700 224 2HB GLU 28 2HB GLU 28 -0.463 -13.637 -19.949 225 1HG GLU 28 1HG GLU 28 1.004 -12.597 -18.228 226 2HG GLU 28 2HG GLU 28 0.092 -13.431 -16.910 227 H GLN 29 H GLN 29 -1.297 -11.399 -21.052 228 HA GLN 29 HA GLN 29 0.410 -9.356 -20.180 229 1HB GLN 29 1HB GLN 29 0.073 -10.278 -22.523 230 2HB GLN 29 2HB GLN 29 -1.494 -9.410 -22.598 231 1HG GLN 29 1HG GLN 29 -0.143 -7.206 -22.318 232 2HG GLN 29 2HG GLN 29 1.351 -8.213 -22.476 233 1HE2 GLN 29 1HE2 GLN 29 0.926 -6.251 -24.394 234 2HE2 GLN 29 2HE2 GLN 29 0.401 -6.936 -25.898 235 H LYS 30 H LYS 30 -3.162 -9.095 -20.854 236 HA LYS 30 HA LYS 30 -3.502 -6.350 -20.312 237 1HB LYS 30 1HB LYS 30 -5.010 -7.929 -21.554 238 2HB LYS 30 2HB LYS 30 -5.498 -8.663 -20.002 239 1HG LYS 30 1HG LYS 30 -6.618 -6.613 -19.312 240 2HG LYS 30 2HG LYS 30 -5.915 -5.669 -20.675 241 1HD LYS 30 1HD LYS 30 -7.618 -8.162 -21.181 242 2HD LYS 30 2HD LYS 30 -8.411 -6.581 -20.859 243 1HE LYS 30 1HE LYS 30 -7.755 -5.621 -22.891 244 2HE LYS 30 2HE LYS 30 -6.257 -6.610 -23.013 245 1HZ LYS 30 1HZ LYS 30 -8.079 -7.118 -24.631 246 2HZ LYS 30 2HZ LYS 30 -7.381 -8.406 -23.803 247 3HZ LYS 30 3HZ LYS 30 -8.929 -7.841 -23.350 248 H GLN 31 H GLN 31 -4.082 -9.221 -18.089 249 HA GLN 31 HA GLN 31 -4.587 -7.796 -15.722 250 1HB GLN 31 1HB GLN 31 -4.904 -10.265 -16.068 251 2HB GLN 31 2HB GLN 31 -3.125 -10.468 -16.128 252 1HG GLN 31 1HG GLN 31 -2.997 -9.670 -13.699 253 2HG GLN 31 2HG GLN 31 -4.791 -9.496 -13.698 254 1HE2 GLN 31 1HE2 GLN 31 -2.202 -11.939 -14.543 255 2HE2 GLN 31 2HE2 GLN 31 -3.063 -13.316 -13.936 256 H GLU 32 H GLU 32 -1.250 -8.918 -16.973 257 HA GLU 32 HA GLU 32 0.278 -7.993 -14.847 258 1HB GLU 32 1HB GLU 32 0.918 -8.086 -17.833 259 2HB GLU 32 2HB GLU 32 2.138 -7.574 -16.615 260 1HG GLU 32 1HG GLU 32 2.020 -9.735 -15.451 261 2HG GLU 32 2HG GLU 32 0.792 -10.345 -16.620 262 H ILE 33 H ILE 33 -0.518 -5.955 -17.811 263 HA ILE 33 HA ILE 33 0.979 -3.816 -16.633 264 HB ILE 33 HB ILE 33 0.756 -2.355 -18.257 265 1HG1 ILE 33 1HG1 ILE 33 -1.655 -2.351 -18.733 266 2HG1 ILE 33 2HG1 ILE 33 -0.636 -2.394 -20.201 267 1HG2 ILE 33 1HG2 ILE 33 2.146 -4.467 -18.464 268 2HG2 ILE 33 2HG2 ILE 33 0.898 -5.138 -19.570 269 3HG2 ILE 33 3HG2 ILE 33 1.791 -3.620 -19.996 270 1HD1 ILE 33 1HD1 ILE 33 -2.675 -3.870 -20.364 271 2HD1 ILE 33 2HD1 ILE 33 -2.039 -4.861 -19.007 272 3HD1 ILE 33 3HD1 ILE 33 -1.137 -4.786 -20.560 273 H ARG 34 H ARG 34 -2.657 -4.420 -16.609 274 HA ARG 34 HA ARG 34 -3.104 -1.965 -15.165 275 1HB ARG 34 1HB ARG 34 -5.002 -3.071 -16.355 276 2HB ARG 34 2HB ARG 34 -4.872 -4.463 -15.234 277 1HG ARG 34 1HG ARG 34 -6.750 -3.036 -14.565 278 2HG ARG 34 2HG ARG 34 -5.473 -3.004 -13.314 279 1HD ARG 34 1HD ARG 34 -4.702 -0.728 -14.490 280 2HD ARG 34 2HD ARG 34 -6.337 -0.776 -15.270 281 HE ARG 34 HE ARG 34 -6.444 -1.185 -12.354 282 1HH1 ARG 34 1HH1 ARG 34 -6.082 1.400 -14.831 283 2HH1 ARG 34 2HH1 ARG 34 -6.316 2.671 -13.680 284 1HH2 ARG 34 1HH2 ARG 34 -6.712 0.551 -10.847 285 2HH2 ARG 34 2HH2 ARG 34 -6.618 2.210 -11.384 286 H GLU 35 H GLU 35 -2.264 -5.406 -13.907 287 HA GLU 35 HA GLU 35 -2.637 -4.835 -11.198 288 1HB GLU 35 1HB GLU 35 -2.021 -7.045 -12.137 289 2HB GLU 35 2HB GLU 35 -0.367 -6.464 -12.489 290 1HG GLU 35 1HG GLU 35 -1.564 -6.516 -9.628 291 2HG GLU 35 2HG GLU 35 -0.791 -7.955 -10.389 292 H ALA 36 H ALA 36 0.485 -4.151 -13.090 293 HA ALA 36 HA ALA 36 1.757 -2.705 -11.058 294 1HB ALA 36 1HB ALA 36 2.889 -3.339 -13.182 295 2HB ALA 36 2HB ALA 36 1.872 -2.161 -14.085 296 3HB ALA 36 3HB ALA 36 3.069 -1.578 -12.862 297 H PHE 37 H PHE 37 -0.390 -1.211 -13.675 298 HA PHE 37 HA PHE 37 -0.238 1.419 -12.689 299 1HB PHE 37 1HB PHE 37 -1.218 0.484 -14.935 300 2HB PHE 37 2HB PHE 37 -2.751 0.236 -14.040 301 HD1 PHE 37 HD1 PHE 37 -0.619 2.597 -15.780 302 HD2 PHE 37 HD2 PHE 37 -3.793 2.331 -12.891 303 HE1 PHE 37 HE1 PHE 37 -1.245 4.925 -16.251 304 HE2 PHE 37 HE2 PHE 37 -4.367 4.700 -13.316 305 HZ PHE 37 HZ PHE 37 -3.075 6.000 -14.985 306 H ASP 38 H ASP 38 -2.908 -1.048 -11.924 307 HA ASP 38 HA ASP 38 -4.287 0.460 -10.025 308 1HB ASP 38 1HB ASP 38 -4.754 -1.904 -11.172 309 2HB ASP 38 2HB ASP 38 -3.908 -2.574 -9.745 310 H LEU 39 H LEU 39 -1.293 -1.613 -9.407 311 HA LEU 39 HA LEU 39 -1.227 -1.416 -6.641 312 1HB LEU 39 1HB LEU 39 0.347 -2.782 -8.050 313 2HB LEU 39 2HB LEU 39 1.137 -1.272 -8.596 314 HG LEU 39 HG LEU 39 1.855 -0.800 -6.233 315 1HD1 LEU 39 1HD1 LEU 39 1.760 -2.634 -4.523 316 2HD1 LEU 39 2HD1 LEU 39 0.119 -2.032 -4.947 317 3HD1 LEU 39 3HD1 LEU 39 0.704 -3.602 -5.621 318 1HD2 LEU 39 1HD2 LEU 39 2.729 -3.533 -7.356 319 2HD2 LEU 39 2HD2 LEU 39 3.648 -2.524 -6.172 320 3HD2 LEU 39 3HD2 LEU 39 3.367 -1.919 -7.848 321 H PHE 40 H PHE 40 0.059 1.049 -9.031 322 HA PHE 40 HA PHE 40 0.564 2.960 -6.870 323 1HB PHE 40 1HB PHE 40 0.805 3.324 -9.895 324 2HB PHE 40 2HB PHE 40 1.281 4.551 -8.643 325 HD1 PHE 40 HD1 PHE 40 2.296 1.491 -10.364 326 HD2 PHE 40 HD2 PHE 40 2.945 3.857 -6.838 327 HE1 PHE 40 HE1 PHE 40 4.341 0.197 -9.876 328 HE2 PHE 40 HE2 PHE 40 5.021 2.593 -6.376 329 HZ PHE 40 HZ PHE 40 5.704 0.739 -7.882 330 H ASP 41 H ASP 41 -1.955 2.710 -9.516 331 HA ASP 41 HA ASP 41 -3.446 4.988 -8.536 332 1HB ASP 41 1HB ASP 41 -3.338 4.384 -10.954 333 2HB ASP 41 2HB ASP 41 -4.133 2.816 -10.600 334 H ALA 42 H ALA 42 -3.594 4.041 -6.211 335 HA ALA 42 HA ALA 42 -5.335 1.691 -5.914 336 1HB ALA 42 1HB ALA 42 -4.568 1.664 -3.556 337 2HB ALA 42 2HB ALA 42 -3.176 1.767 -4.693 338 3HB ALA 42 3HB ALA 42 -3.720 3.238 -3.808 339 H ASP 43 H ASP 43 -5.304 5.055 -4.433 340 HA ASP 43 HA ASP 43 -7.781 4.545 -3.038 341 1HB ASP 43 1HB ASP 43 -6.105 7.111 -3.293 342 2HB ASP 43 2HB ASP 43 -7.513 6.908 -2.185 343 H GLY 44 H GLY 44 -6.978 6.317 -6.035 344 1HA GLY 44 1HA GLY 44 -9.114 6.618 -7.410 345 2HA GLY 44 2HA GLY 44 -9.540 7.749 -6.066 346 H THR 45 H THR 45 -7.150 7.123 -8.709 347 HA THR 45 HA THR 45 -6.218 9.926 -8.458 348 HB THR 45 HB THR 45 -4.127 8.426 -9.699 349 HG1 THR 45 HG1 THR 45 -4.969 6.576 -8.847 350 1HG2 THR 45 1HG2 THR 45 -3.937 10.478 -8.258 351 2HG2 THR 45 2HG2 THR 45 -2.910 9.133 -7.641 352 3HG2 THR 45 3HG2 THR 45 -4.470 9.524 -6.823 353 H GLY 46 H GLY 46 -6.079 7.273 -11.050 354 1HA GLY 46 1HA GLY 46 -6.902 7.652 -13.257 355 2HA GLY 46 2HA GLY 46 -6.806 9.432 -13.020 356 H THR 47 H THR 47 -4.230 9.888 -12.158 357 HA THR 47 HA THR 47 -2.502 8.748 -14.270 358 HB THR 47 HB THR 47 -0.950 10.673 -13.820 359 HG1 THR 47 HG1 THR 47 -1.807 11.174 -11.771 360 1HG2 THR 47 1HG2 THR 47 -2.556 10.621 -15.744 361 2HG2 THR 47 2HG2 THR 47 -2.340 12.292 -15.113 362 3HG2 THR 47 3HG2 THR 47 -3.836 11.367 -14.716 363 H ILE 48 H ILE 48 -0.579 7.887 -13.865 364 HA ILE 48 HA ILE 48 0.425 7.586 -11.080 365 HB ILE 48 HB ILE 48 -0.102 5.343 -11.959 366 1HG1 ILE 48 1HG1 ILE 48 2.905 6.022 -12.115 367 2HG1 ILE 48 2HG1 ILE 48 1.959 5.464 -10.697 368 1HG2 ILE 48 1HG2 ILE 48 1.627 5.938 -14.441 369 2HG2 ILE 48 2HG2 ILE 48 -0.170 6.040 -14.425 370 3HG2 ILE 48 3HG2 ILE 48 0.641 4.484 -14.098 371 1HD1 ILE 48 1HD1 ILE 48 3.277 3.589 -11.579 372 2HD1 ILE 48 2HD1 ILE 48 2.684 3.858 -13.251 373 3HD1 ILE 48 3HD1 ILE 48 1.551 3.258 -11.983 374 H ASP 49 H ASP 49 2.369 8.739 -10.882 375 HA ASP 49 HA ASP 49 3.181 10.253 -13.309 376 1HB ASP 49 1HB ASP 49 3.699 10.780 -10.328 377 2HB ASP 49 2HB ASP 49 4.401 11.770 -11.665 378 H VAL 50 H VAL 50 5.562 10.818 -13.549 379 HA VAL 50 HA VAL 50 6.859 8.576 -14.210 380 HB VAL 50 HB VAL 50 7.217 10.800 -15.099 381 1HG1 VAL 50 1HG1 VAL 50 9.049 11.266 -12.651 382 2HG1 VAL 50 2HG1 VAL 50 7.454 12.060 -12.950 383 3HG1 VAL 50 3HG1 VAL 50 8.832 12.355 -14.066 384 1HG2 VAL 50 1HG2 VAL 50 9.810 9.339 -14.349 385 2HG2 VAL 50 2HG2 VAL 50 8.697 8.896 -15.699 386 3HG2 VAL 50 3HG2 VAL 50 9.563 10.478 -15.729 387 H LYS 51 H LYS 51 7.373 9.934 -10.910 388 HA LYS 51 HA LYS 51 9.608 8.334 -10.169 389 1HB LYS 51 1HB LYS 51 7.241 9.245 -8.422 390 2HB LYS 51 2HB LYS 51 8.835 8.669 -7.819 391 1HG LYS 51 1HG LYS 51 9.948 10.642 -8.867 392 2HG LYS 51 2HG LYS 51 8.375 11.191 -9.548 393 1HD LYS 51 1HD LYS 51 7.437 11.380 -7.234 394 2HD LYS 51 2HD LYS 51 9.045 10.929 -6.557 395 1HE LYS 51 1HE LYS 51 10.068 12.980 -7.603 396 2HE LYS 51 2HE LYS 51 8.468 13.411 -8.333 397 1HZ LYS 51 1HZ LYS 51 7.566 13.605 -6.116 398 2HZ LYS 51 2HZ LYS 51 8.900 14.629 -6.328 399 3HZ LYS 51 3HZ LYS 51 9.064 13.202 -5.424 400 H GLU 52 H GLU 52 6.065 7.707 -9.477 401 HA GLU 52 HA GLU 52 6.194 5.010 -8.704 402 1HB GLU 52 1HB GLU 52 4.047 6.597 -10.211 403 2HB GLU 52 2HB GLU 52 3.741 5.078 -9.304 404 1HG GLU 52 1HG GLU 52 4.191 6.198 -7.162 405 2HG GLU 52 2HG GLU 52 4.752 7.702 -7.983 406 H LEU 53 H LEU 53 5.652 6.392 -12.130 407 HA LEU 53 HA LEU 53 5.374 3.892 -13.386 408 1HB LEU 53 1HB LEU 53 4.885 6.149 -14.398 409 2HB LEU 53 2HB LEU 53 6.649 6.438 -14.529 410 HG LEU 53 HG LEU 53 6.869 4.539 -16.110 411 1HD1 LEU 53 1HD1 LEU 53 3.847 4.162 -15.657 412 2HD1 LEU 53 2HD1 LEU 53 4.750 3.449 -17.048 413 3HD1 LEU 53 3HD1 LEU 53 5.165 2.967 -15.374 414 1HD2 LEU 53 1HD2 LEU 53 4.626 6.483 -16.933 415 2HD2 LEU 53 2HD2 LEU 53 5.706 5.550 -18.038 416 3HD2 LEU 53 3HD2 LEU 53 6.396 6.826 -16.975 417 H LYS 54 H LYS 54 8.526 5.597 -12.571 418 HA LYS 54 HA LYS 54 10.244 3.741 -13.875 419 1HB LYS 54 1HB LYS 54 10.569 5.766 -11.655 420 2HB LYS 54 2HB LYS 54 11.709 4.396 -11.599 421 1HG LYS 54 1HG LYS 54 12.956 5.845 -12.733 422 2HG LYS 54 2HG LYS 54 12.271 4.887 -14.085 423 1HD LYS 54 1HD LYS 54 10.712 6.750 -14.615 424 2HD LYS 54 2HD LYS 54 11.194 7.610 -13.106 425 1HE LYS 54 1HE LYS 54 13.546 7.854 -13.953 426 2HE LYS 54 2HE LYS 54 13.080 7.027 -15.491 427 1HZ LYS 54 1HZ LYS 54 11.512 8.836 -15.894 428 2HZ LYS 54 2HZ LYS 54 11.999 9.609 -14.467 429 3HZ LYS 54 3HZ LYS 54 13.101 9.398 -15.736 430 H VAL 55 H VAL 55 9.018 3.712 -10.409 431 HA VAL 55 HA VAL 55 10.062 1.163 -9.737 432 HB VAL 55 HB VAL 55 7.513 2.389 -8.607 433 1HG1 VAL 55 1HG1 VAL 55 8.199 1.063 -6.567 434 2HG1 VAL 55 2HG1 VAL 55 7.889 -0.022 -7.963 435 3HG1 VAL 55 3HG1 VAL 55 9.584 0.362 -7.485 436 1HG2 VAL 55 1HG2 VAL 55 10.491 2.825 -7.877 437 2HG2 VAL 55 2HG2 VAL 55 9.341 4.070 -8.487 438 3HG2 VAL 55 3HG2 VAL 55 9.092 3.349 -6.868 439 H ALA 56 H ALA 56 6.879 1.982 -11.318 440 HA ALA 56 HA ALA 56 5.862 -0.626 -11.507 441 1HB ALA 56 1HB ALA 56 5.527 1.625 -13.568 442 2HB ALA 56 2HB ALA 56 4.531 1.420 -12.082 443 3HB ALA 56 3HB ALA 56 4.467 0.181 -13.385 444 H MET 57 H MET 57 8.141 1.024 -13.791 445 HA MET 57 HA MET 57 8.313 -1.235 -15.541 446 1HB MET 57 1HB MET 57 10.050 1.242 -15.427 447 2HB MET 57 2HB MET 57 10.188 -0.110 -16.611 448 1HG MET 57 1HG MET 57 7.679 0.193 -17.101 449 2HG MET 57 2HG MET 57 7.758 1.713 -16.170 450 1HE MET 57 1HE MET 57 6.775 2.967 -17.771 451 2HE MET 57 2HE MET 57 6.563 1.742 -19.066 452 3HE MET 57 3HE MET 57 7.289 3.351 -19.434 453 H ARG 58 H ARG 58 10.176 -0.509 -12.535 454 HA ARG 58 HA ARG 58 12.186 -2.512 -12.959 455 1HB ARG 58 1HB ARG 58 10.858 -1.640 -10.322 456 2HB ARG 58 2HB ARG 58 12.355 -2.629 -10.447 457 1HG ARG 58 1HG ARG 58 13.571 -0.743 -11.472 458 2HG ARG 58 2HG ARG 58 12.059 0.225 -11.542 459 1HD ARG 58 1HD ARG 58 11.899 0.069 -8.991 460 2HD ARG 58 2HD ARG 58 13.563 -0.666 -8.988 461 HE ARG 58 HE ARG 58 13.766 1.668 -10.548 462 1HH1 ARG 58 1HH1 ARG 58 12.801 0.901 -7.180 463 2HH1 ARG 58 2HH1 ARG 58 13.256 2.424 -6.537 464 1HH2 ARG 58 1HH2 ARG 58 14.410 3.761 -9.651 465 2HH2 ARG 58 2HH2 ARG 58 14.193 4.095 -7.984 466 H ALA 59 H ALA 59 8.890 -2.777 -11.223 467 HA ALA 59 HA ALA 59 8.950 -5.601 -10.978 468 1HB ALA 59 1HB ALA 59 6.522 -3.731 -11.217 469 2HB ALA 59 2HB ALA 59 7.377 -4.158 -9.690 470 3HB ALA 59 3HB ALA 59 6.490 -5.429 -10.604 471 H LEU 60 H LEU 60 7.436 -3.632 -13.726 472 HA LEU 60 HA LEU 60 6.469 -5.993 -15.038 473 1HB LEU 60 1HB LEU 60 5.434 -3.698 -15.194 474 2HB LEU 60 2HB LEU 60 6.849 -3.161 -16.149 475 HG LEU 60 HG LEU 60 6.244 -4.823 -17.944 476 1HD1 LEU 60 1HD1 LEU 60 3.713 -5.357 -16.249 477 2HD1 LEU 60 2HD1 LEU 60 3.989 -5.907 -17.943 478 3HD1 LEU 60 3HD1 LEU 60 5.022 -6.543 -16.623 479 1HD2 LEU 60 1HD2 LEU 60 4.329 -3.572 -18.848 480 2HD2 LEU 60 2HD2 LEU 60 3.946 -2.910 -17.214 481 3HD2 LEU 60 3HD2 LEU 60 5.482 -2.445 -18.044 482 H GLY 61 H GLY 61 9.584 -4.155 -15.482 483 1HA GLY 61 1HA GLY 61 10.386 -5.343 -17.903 484 2HA GLY 61 2HA GLY 61 11.423 -4.697 -16.586 485 H PHE 62 H PHE 62 11.159 -6.476 -14.528 486 HA PHE 62 HA PHE 62 11.725 -8.425 -13.661 487 1HB PHE 62 1HB PHE 62 10.868 -9.798 -16.293 488 2HB PHE 62 2HB PHE 62 11.297 -10.644 -14.764 489 HD1 PHE 62 HD1 PHE 62 9.898 -10.139 -12.675 490 HD2 PHE 62 HD2 PHE 62 8.665 -9.057 -16.650 491 HE1 PHE 62 HE1 PHE 62 7.539 -10.077 -11.933 492 HE2 PHE 62 HE2 PHE 62 6.309 -9.001 -15.905 493 HZ PHE 62 HZ PHE 62 5.740 -9.515 -13.549 494 H GLU 63 H GLU 63 12.657 -9.322 -16.986 495 HA GLU 63 HA GLU 63 15.506 -8.921 -16.522 496 1HB GLU 63 1HB GLU 63 14.329 -11.642 -17.394 497 2HB GLU 63 2HB GLU 63 16.062 -11.171 -17.541 498 1HG GLU 63 1HG GLU 63 16.194 -10.933 -15.032 499 2HG GLU 63 2HG GLU 63 14.479 -11.472 -14.903 500 HA PRO 64 HA PRO 64 13.338 -8.387 -20.805 501 1HB PRO 64 1HB PRO 64 13.712 -5.735 -21.582 502 2HB PRO 64 2HB PRO 64 12.553 -6.198 -20.285 503 1HG PRO 64 1HG PRO 64 15.451 -5.242 -19.928 504 2HG PRO 64 2HG PRO 64 13.956 -4.560 -19.164 505 1HD PRO 64 1HD PRO 64 15.563 -6.457 -17.883 506 2HD PRO 64 2HD PRO 64 13.753 -6.465 -17.684 507 H LYS 65 H LYS 65 14.210 -7.226 -23.205 508 HA LYS 65 HA LYS 65 16.326 -8.979 -23.768 509 1HB LYS 65 1HB LYS 65 14.478 -8.264 -25.348 510 2HB LYS 65 2HB LYS 65 15.319 -6.709 -25.570 511 1HG LYS 65 1HG LYS 65 15.740 -8.273 -27.448 512 2HG LYS 65 2HG LYS 65 17.262 -7.843 -26.601 513 1HD LYS 65 1HD LYS 65 17.234 -10.215 -27.236 514 2HD LYS 65 2HD LYS 65 17.312 -10.024 -25.455 515 1HE LYS 65 1HE LYS 65 14.819 -10.540 -25.311 516 2HE LYS 65 2HE LYS 65 14.789 -10.765 -27.108 517 1HZ LYS 65 1HZ LYS 65 16.377 -12.558 -26.842 518 2HZ LYS 65 2HZ LYS 65 14.976 -12.831 -25.922 519 3HZ LYS 65 3HZ LYS 65 16.405 -12.331 -25.158 520 H LYS 66 H LYS 66 16.523 -5.325 -23.871 521 HA LYS 66 HA LYS 66 19.197 -5.437 -22.825 522 1HB LYS 66 1HB LYS 66 19.711 -5.658 -25.266 523 2HB LYS 66 2HB LYS 66 18.766 -4.179 -25.615 524 1HG LYS 66 1HG LYS 66 20.383 -2.827 -24.294 525 2HG LYS 66 2HG LYS 66 21.296 -4.303 -23.838 526 1HD LYS 66 1HD LYS 66 21.962 -4.724 -26.131 527 2HD LYS 66 2HD LYS 66 20.853 -3.468 -26.775 528 1HE LYS 66 1HE LYS 66 23.240 -2.825 -24.903 529 2HE LYS 66 2HE LYS 66 23.331 -2.801 -26.710 530 1HZ LYS 66 1HZ LYS 66 21.568 -1.153 -26.719 531 2HZ LYS 66 2HZ LYS 66 21.487 -1.129 -25.043 532 3HZ LYS 66 3HZ LYS 66 22.910 -0.624 -25.823 533 H GLU 67 H GLU 67 17.562 -2.799 -24.764 534 HA GLU 67 HA GLU 67 17.154 -1.216 -22.337 535 1HB GLU 67 1HB GLU 67 16.574 -0.601 -25.283 536 2HB GLU 67 2HB GLU 67 16.020 0.455 -23.929 537 1HG GLU 67 1HG GLU 67 17.985 1.435 -24.836 538 2HG GLU 67 2HG GLU 67 18.331 0.838 -23.172 539 H GLU 68 H GLU 68 14.603 -0.800 -24.599 540 HA GLU 68 HA GLU 68 12.458 -1.287 -24.762 541 1HB GLU 68 1HB GLU 68 12.592 -3.346 -22.506 542 2HB GLU 68 2HB GLU 68 11.169 -2.962 -23.521 543 1HG GLU 68 1HG GLU 68 12.437 -3.717 -25.576 544 2HG GLU 68 2HG GLU 68 13.847 -4.144 -24.528 545 H ILE 69 H ILE 69 13.357 -1.387 -21.303 546 HA ILE 69 HA ILE 69 11.008 0.033 -20.449 547 HB ILE 69 HB ILE 69 13.709 -0.756 -19.222 548 1HG1 ILE 69 1HG1 ILE 69 12.392 -2.691 -19.731 549 2HG1 ILE 69 2HG1 ILE 69 12.371 -2.436 -17.962 550 1HG2 ILE 69 1HG2 ILE 69 12.546 -0.282 -16.945 551 2HG2 ILE 69 2HG2 ILE 69 13.207 1.106 -17.872 552 3HG2 ILE 69 3HG2 ILE 69 11.445 0.790 -17.899 553 1HD1 ILE 69 1HD1 ILE 69 10.027 -1.438 -18.181 554 2HD1 ILE 69 2HD1 ILE 69 10.145 -3.146 -18.717 555 3HD1 ILE 69 3HD1 ILE 69 10.062 -1.837 -19.937 556 H LYS 70 H LYS 70 14.469 1.040 -20.861 557 HA LYS 70 HA LYS 70 14.278 3.760 -20.193 558 1HB LYS 70 1HB LYS 70 16.411 2.468 -20.545 559 2HB LYS 70 2HB LYS 70 16.065 2.417 -22.306 560 1HG LYS 70 1HG LYS 70 16.214 4.934 -22.388 561 2HG LYS 70 2HG LYS 70 16.533 4.962 -20.619 562 1HD LYS 70 1HD LYS 70 18.628 3.647 -20.981 563 2HD LYS 70 2HD LYS 70 18.279 3.573 -22.747 564 1HE LYS 70 1HE LYS 70 18.428 6.090 -22.888 565 2HE LYS 70 2HE LYS 70 18.794 6.163 -21.118 566 1HZ LYS 70 1HZ LYS 70 20.775 4.864 -21.531 567 2HZ LYS 70 2HZ LYS 70 20.766 6.283 -22.461 568 3HZ LYS 70 3HZ LYS 70 20.430 4.789 -23.192 569 H LYS 71 H LYS 71 13.491 2.124 -23.349 570 HA LYS 71 HA LYS 71 12.986 4.462 -24.887 571 1HB LYS 71 1HB LYS 71 11.684 1.691 -25.153 572 2HB LYS 71 2HB LYS 71 11.616 3.014 -26.365 573 1HG LYS 71 1HG LYS 71 14.122 2.923 -26.579 574 2HG LYS 71 2HG LYS 71 14.158 1.519 -25.452 575 1HD LYS 71 1HD LYS 71 12.708 0.217 -27.015 576 2HD LYS 71 2HD LYS 71 12.608 1.641 -28.111 577 1HE LYS 71 1HE LYS 71 15.116 1.530 -28.472 578 2HE LYS 71 2HE LYS 71 15.184 0.050 -27.431 579 1HZ LYS 71 1HZ LYS 71 13.700 -1.037 -28.993 580 2HZ LYS 71 2HZ LYS 71 13.642 0.356 -29.959 581 3HZ LYS 71 3HZ LYS 71 15.106 -0.478 -29.762 582 H MET 72 H MET 72 10.481 2.301 -23.130 583 HA MET 72 HA MET 72 8.325 3.977 -23.696 584 1HB MET 72 1HB MET 72 8.723 1.986 -21.432 585 2HB MET 72 2HB MET 72 7.263 3.025 -21.531 586 1HG MET 72 1HG MET 72 6.562 1.068 -22.461 587 2HG MET 72 2HG MET 72 6.766 2.198 -23.826 588 1HE MET 72 1HE MET 72 8.947 2.101 -25.477 589 2HE MET 72 2HE MET 72 7.423 1.309 -25.983 590 3HE MET 72 3HE MET 72 8.999 0.495 -26.273 591 H ILE 73 H ILE 73 10.487 4.318 -20.680 592 HA ILE 73 HA ILE 73 9.090 6.600 -19.669 593 HB ILE 73 HB ILE 73 12.057 5.882 -19.488 594 1HG1 ILE 73 1HG1 ILE 73 10.639 4.087 -18.564 595 2HG1 ILE 73 2HG1 ILE 73 11.590 4.916 -17.307 596 1HG2 ILE 73 1HG2 ILE 73 11.810 8.266 -18.901 597 2HG2 ILE 73 2HG2 ILE 73 12.047 7.308 -17.412 598 3HG2 ILE 73 3HG2 ILE 73 10.396 7.909 -17.842 599 1HD1 ILE 73 1HD1 ILE 73 8.577 5.347 -17.844 600 2HD1 ILE 73 2HD1 ILE 73 9.309 4.431 -16.481 601 3HD1 ILE 73 3HD1 ILE 73 9.538 6.211 -16.586 602 H SER 74 H SER 74 11.876 6.485 -22.091 603 HA SER 74 HA SER 74 12.137 9.310 -22.305 604 1HB SER 74 1HB SER 74 12.866 7.186 -24.402 605 2HB SER 74 2HB SER 74 13.453 8.894 -24.357 606 HG SER 74 HG SER 74 13.989 6.745 -22.608 607 H GLU 75 H GLU 75 10.124 7.015 -24.243 608 HA GLU 75 HA GLU 75 9.099 8.775 -26.169 609 1HB GLU 75 1HB GLU 75 7.916 6.315 -24.800 610 2HB GLU 75 2HB GLU 75 7.110 7.123 -26.190 611 1HG GLU 75 1HG GLU 75 8.907 6.595 -27.714 612 2HG GLU 75 2HG GLU 75 10.018 6.130 -26.383 613 H ILE 76 H ILE 76 7.452 7.911 -22.949 614 HA ILE 76 HA ILE 76 5.481 9.995 -23.436 615 HB ILE 76 HB ILE 76 5.915 8.115 -21.093 616 1HG1 ILE 76 1HG1 ILE 76 3.939 8.135 -23.474 617 2HG1 ILE 76 2HG1 ILE 76 5.371 7.065 -23.338 618 1HG2 ILE 76 1HG2 ILE 76 4.686 10.150 -20.301 619 2HG2 ILE 76 2HG2 ILE 76 3.565 8.766 -20.415 620 3HG2 ILE 76 3HG2 ILE 76 3.552 10.028 -21.699 621 1HD1 ILE 76 1HD1 ILE 76 4.419 5.964 -21.335 622 2HD1 ILE 76 2HD1 ILE 76 3.340 5.820 -22.769 623 3HD1 ILE 76 3HD1 ILE 76 2.929 6.983 -21.461 624 H ASP 77 H ASP 77 8.436 9.853 -21.238 625 HA ASP 77 HA ASP 77 7.898 12.667 -20.461 626 1HB ASP 77 1HB ASP 77 8.494 10.932 -18.655 627 2HB ASP 77 2HB ASP 77 10.106 10.775 -19.432 628 H LYS 78 H LYS 78 8.409 13.641 -22.519 629 HA LYS 78 HA LYS 78 10.735 12.775 -24.018 630 1HB LYS 78 1HB LYS 78 8.563 13.179 -25.090 631 2HB LYS 78 2HB LYS 78 8.607 14.902 -24.590 632 1HG LYS 78 1HG LYS 78 10.551 15.316 -26.039 633 2HG LYS 78 2HG LYS 78 10.661 13.578 -26.481 634 1HD LYS 78 1HD LYS 78 8.604 13.627 -27.704 635 2HD LYS 78 2HD LYS 78 8.082 15.179 -26.970 636 1HE LYS 78 1HE LYS 78 10.529 14.944 -28.857 637 2HE LYS 78 2HE LYS 78 8.852 15.355 -29.405 638 1HZ LYS 78 1HZ LYS 78 10.127 17.331 -29.042 639 2HZ LYS 78 2HZ LYS 78 10.487 16.914 -27.435 640 3HZ LYS 78 3HZ LYS 78 8.901 17.238 -27.868 641 H GLU 79 H GLU 79 9.715 16.129 -22.950 642 HA GLU 79 HA GLU 79 12.489 17.079 -23.177 643 1HB GLU 79 1HB GLU 79 9.795 18.429 -22.710 644 2HB GLU 79 2HB GLU 79 11.300 19.266 -22.204 645 1HG GLU 79 1HG GLU 79 10.631 20.050 -24.415 646 2HG GLU 79 2HG GLU 79 12.224 19.214 -24.461 647 H GLY 80 H GLY 80 9.935 17.176 -20.527 648 1HA GLY 80 1HA GLY 80 11.357 15.719 -18.727 649 2HA GLY 80 2HA GLY 80 11.841 17.424 -18.430 650 H THR 81 H THR 81 8.554 15.953 -19.104 651 HA THR 81 HA THR 81 7.775 16.362 -16.339 652 HB THR 81 HB THR 81 5.558 17.499 -17.039 653 HG1 THR 81 HG1 THR 81 5.900 17.241 -19.258 654 1HG2 THR 81 1HG2 THR 81 6.484 19.773 -16.841 655 2HG2 THR 81 2HG2 THR 81 8.129 19.199 -17.291 656 3HG2 THR 81 3HG2 THR 81 7.383 18.666 -15.739 657 H GLY 82 H GLY 82 7.215 14.094 -16.075 658 1HA GLY 82 1HA GLY 82 5.560 12.895 -18.235 659 2HA GLY 82 2HA GLY 82 6.723 12.081 -17.151 660 H LYS 83 H LYS 83 3.514 12.785 -17.780 661 HA LYS 83 HA LYS 83 2.650 11.434 -15.283 662 1HB LYS 83 1HB LYS 83 1.136 13.590 -16.880 663 2HB LYS 83 2HB LYS 83 0.335 12.440 -15.752 664 1HG LYS 83 1HG LYS 83 1.789 13.242 -13.896 665 2HG LYS 83 2HG LYS 83 2.434 14.539 -14.946 666 1HD LYS 83 1HD LYS 83 0.392 15.704 -15.005 667 2HD LYS 83 2HD LYS 83 -0.602 14.239 -14.740 668 1HE LYS 83 1HE LYS 83 1.149 15.495 -12.523 669 2HE LYS 83 2HE LYS 83 -0.600 15.874 -12.784 670 1HZ LYS 83 1HZ LYS 83 0.546 13.181 -12.164 671 2HZ LYS 83 2HZ LYS 83 -0.296 14.198 -11.118 672 3HZ LYS 83 3HZ LYS 83 -1.094 13.515 -12.456 673 H MET 84 H MET 84 1.615 9.472 -15.705 674 HA MET 84 HA MET 84 0.768 8.936 -18.511 675 1HB MET 84 1HB MET 84 2.694 7.550 -17.799 676 2HB MET 84 2HB MET 84 1.813 7.075 -16.314 677 1HG MET 84 1HG MET 84 0.062 5.958 -17.792 678 2HG MET 84 2HG MET 84 1.083 6.323 -19.212 679 1HE MET 84 1HE MET 84 3.834 3.836 -19.232 680 2HE MET 84 2HE MET 84 3.684 5.627 -19.227 681 3HE MET 84 3HE MET 84 2.524 4.627 -20.172 682 H ASN 85 H ASN 85 -1.425 8.621 -18.803 683 HA ASN 85 HA ASN 85 -3.018 7.765 -16.454 684 1HB ASN 85 1HB ASN 85 -4.968 8.579 -17.233 685 2HB ASN 85 2HB ASN 85 -3.834 9.825 -17.829 686 1HD2 ASN 85 1HD2 ASN 85 -3.145 9.500 -20.296 687 2HD2 ASN 85 2HD2 ASN 85 -4.450 9.055 -21.330 688 H PHE 86 H PHE 86 -4.856 6.000 -17.156 689 HA PHE 86 HA PHE 86 -3.315 3.773 -18.051 690 1HB PHE 86 1HB PHE 86 -5.176 3.630 -16.326 691 2HB PHE 86 2HB PHE 86 -6.364 3.778 -17.675 692 HD1 PHE 86 HD1 PHE 86 -3.178 1.806 -16.948 693 HD2 PHE 86 HD2 PHE 86 -7.237 1.705 -18.363 694 HE1 PHE 86 HE1 PHE 86 -2.955 -0.605 -17.397 695 HE2 PHE 86 HE2 PHE 86 -7.009 -0.714 -18.814 696 HZ PHE 86 HZ PHE 86 -4.864 -1.871 -18.352 697 H GLY 87 H GLY 87 -5.301 5.999 -20.022 698 1HA GLY 87 1HA GLY 87 -5.604 4.207 -22.267 699 2HA GLY 87 2HA GLY 87 -5.705 6.010 -22.236 700 H ASP 88 H ASP 88 -3.138 6.736 -21.314 701 HA ASP 88 HA ASP 88 -1.338 6.421 -23.412 702 1HB ASP 88 1HB ASP 88 -0.550 6.889 -20.475 703 2HB ASP 88 2HB ASP 88 0.451 7.244 -21.928 704 H PHE 89 H PHE 89 -1.508 4.450 -20.313 705 HA PHE 89 HA PHE 89 0.837 2.991 -20.899 706 1HB PHE 89 1HB PHE 89 -0.343 3.291 -18.566 707 2HB PHE 89 2HB PHE 89 -1.387 1.921 -19.043 708 HD1 PHE 89 HD1 PHE 89 -0.591 0.800 -17.052 709 HD2 PHE 89 HD2 PHE 89 2.272 1.816 -20.116 710 HE1 PHE 89 HE1 PHE 89 1.154 -0.514 -15.896 711 HE2 PHE 89 HE2 PHE 89 3.944 0.446 -19.004 712 HZ PHE 89 HZ PHE 89 3.418 -0.698 -16.868 713 H LEU 90 H LEU 90 -2.671 2.011 -21.220 714 HA LEU 90 HA LEU 90 -2.170 -0.546 -22.313 715 1HB LEU 90 1HB LEU 90 -4.335 0.451 -21.269 716 2HB LEU 90 2HB LEU 90 -4.624 1.210 -22.861 717 HG LEU 90 HG LEU 90 -4.564 -1.161 -23.875 718 1HD1 LEU 90 1HD1 LEU 90 -3.326 -2.376 -22.096 719 2HD1 LEU 90 2HD1 LEU 90 -4.969 -3.082 -22.284 720 3HD1 LEU 90 3HD1 LEU 90 -4.616 -1.992 -20.895 721 1HD2 LEU 90 1HD2 LEU 90 -6.873 -1.723 -23.144 722 2HD2 LEU 90 2HD2 LEU 90 -6.692 0.047 -23.425 723 3HD2 LEU 90 3HD2 LEU 90 -6.720 -0.598 -21.740 724 H THR 91 H THR 91 -2.541 2.684 -24.087 725 HA THR 91 HA THR 91 -2.424 1.500 -26.675 726 HB THR 91 HB THR 91 -1.751 3.719 -27.557 727 HG1 THR 91 HG1 THR 91 -1.713 5.419 -26.164 728 1HG2 THR 91 1HG2 THR 91 -4.133 3.001 -27.348 729 2HG2 THR 91 2HG2 THR 91 -4.205 3.612 -25.658 730 3HG2 THR 91 3HG2 THR 91 -3.973 4.764 -27.023 731 H VAL 92 H VAL 92 0.322 3.010 -24.685 732 HA VAL 92 HA VAL 92 2.253 2.307 -26.601 733 HB VAL 92 HB VAL 92 2.549 4.021 -24.847 734 1HG1 VAL 92 1HG1 VAL 92 3.478 3.413 -22.663 735 2HG1 VAL 92 2HG1 VAL 92 1.884 2.601 -22.858 736 3HG1 VAL 92 3HG1 VAL 92 3.409 1.657 -23.044 737 1HG2 VAL 92 1HG2 VAL 92 4.348 3.267 -26.398 738 2HG2 VAL 92 2HG2 VAL 92 5.011 3.699 -24.784 739 3HG2 VAL 92 3HG2 VAL 92 4.827 1.968 -25.245 740 H MET 93 H MET 93 1.257 0.276 -23.713 741 HA MET 93 HA MET 93 3.052 -1.846 -24.180 742 1HB MET 93 1HB MET 93 1.642 -1.618 -22.107 743 2HB MET 93 2HB MET 93 0.188 -2.015 -23.072 744 1HG MET 93 1HG MET 93 0.890 -3.987 -21.871 745 2HG MET 93 2HG MET 93 1.177 -4.291 -23.593 746 1HE MET 93 1HE MET 93 2.619 -6.384 -22.809 747 2HE MET 93 2HE MET 93 3.922 -6.299 -21.576 748 3HE MET 93 3HE MET 93 2.230 -5.920 -21.124 749 H THR 94 H THR 94 -0.420 -1.600 -25.427 750 HA THR 94 HA THR 94 -0.398 -3.940 -27.009 751 HB THR 94 HB THR 94 -1.848 -1.285 -27.562 752 HG1 THR 94 HG1 THR 94 -2.464 -1.773 -25.636 753 1HG2 THR 94 1HG2 THR 94 -2.038 -3.015 -29.453 754 2HG2 THR 94 2HG2 THR 94 -3.595 -2.688 -28.621 755 3HG2 THR 94 3HG2 THR 94 -2.686 -4.190 -28.243 756 H GLN 95 H GLN 95 0.199 -0.463 -28.218 757 HA GLN 95 HA GLN 95 0.937 -1.083 -30.820 758 1HB GLN 95 1HB GLN 95 0.504 1.193 -29.855 759 2HB GLN 95 2HB GLN 95 2.097 1.124 -29.034 760 1HG GLN 95 1HG GLN 95 3.239 1.033 -31.288 761 2HG GLN 95 2HG GLN 95 1.621 1.048 -32.094 762 1HE2 GLN 95 1HE2 GLN 95 3.070 3.060 -32.958 763 2HE2 GLN 95 2HE2 GLN 95 2.710 4.571 -32.188 764 H LYS 96 H LYS 96 3.189 -1.153 -27.927 765 HA LYS 96 HA LYS 96 5.508 -1.832 -29.471 766 1HB LYS 96 1HB LYS 96 5.469 -0.816 -27.164 767 2HB LYS 96 2HB LYS 96 4.901 -2.372 -26.500 768 1HG LYS 96 1HG LYS 96 7.616 -1.886 -27.921 769 2HG LYS 96 2HG LYS 96 7.322 -1.806 -26.153 770 1HD LYS 96 1HD LYS 96 6.481 -4.266 -26.327 771 2HD LYS 96 2HD LYS 96 7.213 -4.276 -27.965 772 1HE LYS 96 1HE LYS 96 8.811 -5.278 -26.481 773 2HE LYS 96 2HE LYS 96 9.467 -3.642 -26.887 774 1HZ LYS 96 1HZ LYS 96 9.581 -4.392 -24.545 775 2HZ LYS 96 2HZ LYS 96 7.890 -4.236 -24.433 776 3HZ LYS 96 3HZ LYS 96 8.833 -2.859 -24.764 777 H MET 97 H MET 97 3.363 -4.021 -27.363 778 HA MET 97 HA MET 97 4.916 -6.298 -28.238 779 1HB MET 97 1HB MET 97 2.577 -6.159 -26.310 780 2HB MET 97 2HB MET 97 3.408 -7.684 -26.788 781 1HG MET 97 1HG MET 97 5.613 -6.342 -26.148 782 2HG MET 97 2HG MET 97 4.496 -5.342 -25.167 783 1HE MET 97 1HE MET 97 7.060 -6.926 -24.177 784 2HE MET 97 2HE MET 97 6.457 -7.559 -22.609 785 3HE MET 97 3HE MET 97 5.993 -5.910 -23.142 786 H SER 98 H SER 98 1.303 -5.630 -28.675 787 HA SER 98 HA SER 98 1.104 -7.992 -30.344 788 1HB SER 98 1HB SER 98 -1.322 -7.397 -30.556 789 2HB SER 98 2HB SER 98 -0.764 -7.639 -28.858 790 HG SER 98 HG SER 98 -0.732 -5.138 -30.133
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