NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
10686 | 1q53 | 5843 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1H GLY 1 -14.028 4.769 27.429 2 1HA GLY 1 1HA GLY 1 -14.847 7.361 26.856 3 2HA GLY 1 2HA GLY 1 -13.283 6.665 26.481 4 H SER 2 H SER 2 -13.323 8.012 24.503 5 HA SER 2 HA SER 2 -13.548 8.274 22.362 6 1HB SER 2 1HB SER 2 -13.994 5.380 22.715 7 2HB SER 2 2HB SER 2 -14.759 5.999 21.265 8 HG SER 2 HG SER 2 -12.180 7.005 21.613 9 H HIS 3 H HIS 3 -15.046 9.439 21.158 10 HA HIS 3 HA HIS 3 -17.858 8.917 21.803 11 1HB HIS 3 1HB HIS 3 -16.447 11.550 21.305 12 2HB HIS 3 2HB HIS 3 -18.191 11.376 21.331 13 HD1 HIS 3 HD1 HIS 3 -15.164 11.060 23.615 14 HD2 HIS 3 HD2 HIS 3 -19.345 11.304 23.859 15 HE1 HIS 3 HE1 HIS 3 -15.720 11.358 26.087 16 HE2 HIS 3 HE2 HIS 3 -18.299 11.557 26.168 17 H MET 4 H MET 4 -19.291 10.060 19.944 18 HA MET 4 HA MET 4 -18.515 8.668 17.591 19 1HB MET 4 1HB MET 4 -20.904 10.241 18.584 20 2HB MET 4 2HB MET 4 -20.760 10.022 16.851 21 1HG MET 4 1HG MET 4 -21.880 8.055 17.281 22 2HG MET 4 2HG MET 4 -20.272 7.458 17.643 23 1HE MET 4 1HE MET 4 -21.558 5.632 18.842 24 2HE MET 4 2HE MET 4 -22.312 5.783 20.447 25 3HE MET 4 3HE MET 4 -23.197 6.310 18.995 26 H GLU 5 H GLU 5 -16.604 9.756 16.838 27 HA GLU 5 HA GLU 5 -17.261 12.245 15.508 28 1HB GLU 5 1HB GLU 5 -15.743 12.242 17.833 29 2HB GLU 5 2HB GLU 5 -14.504 12.179 16.595 30 1HG GLU 5 1HG GLU 5 -16.334 14.082 15.610 31 2HG GLU 5 2HG GLU 5 -16.294 14.399 17.332 32 H GLU 6 H GLU 6 -15.938 12.661 13.591 33 HA GLU 6 HA GLU 6 -15.145 10.218 12.381 34 1HB GLU 6 1HB GLU 6 -14.626 11.770 10.411 35 2HB GLU 6 2HB GLU 6 -16.288 11.762 10.966 36 1HG GLU 6 1HG GLU 6 -14.519 13.754 12.317 37 2HG GLU 6 2HG GLU 6 -14.786 14.042 10.610 38 H ALA 7 H ALA 7 -13.150 9.309 12.594 39 HA ALA 7 HA ALA 7 -10.799 10.794 12.193 40 1HB ALA 7 1HB ALA 7 -11.835 10.949 14.833 41 2HB ALA 7 2HB ALA 7 -10.457 9.824 14.896 42 3HB ALA 7 3HB ALA 7 -10.233 11.470 14.258 43 H LYS 8 H LYS 8 -8.897 9.372 12.192 44 HA LYS 8 HA LYS 8 -7.843 7.394 12.175 45 1HB LYS 8 1HB LYS 8 -9.577 6.746 14.022 46 2HB LYS 8 2HB LYS 8 -10.366 5.853 12.737 47 1HG LYS 8 1HG LYS 8 -8.709 4.266 12.637 48 2HG LYS 8 2HG LYS 8 -7.426 5.444 12.831 49 1HD LYS 8 1HD LYS 8 -9.236 4.593 15.134 50 2HD LYS 8 2HD LYS 8 -7.732 3.772 14.764 51 1HE LYS 8 1HE LYS 8 -6.530 6.004 14.977 52 2HE LYS 8 2HE LYS 8 -8.041 6.723 15.494 53 1HZ LYS 8 1HZ LYS 8 -7.213 6.120 17.476 54 2HZ LYS 8 2HZ LYS 8 -7.941 4.698 17.138 55 3HZ LYS 8 3HZ LYS 8 -6.335 4.869 16.899 56 H GLY 9 H GLY 9 -11.202 7.295 10.813 57 1HA GLY 9 1HA GLY 9 -10.314 5.779 8.519 58 2HA GLY 9 2HA GLY 9 -11.924 6.387 8.850 59 HA PRO 10 HA PRO 10 -12.227 6.013 6.895 60 1HB PRO 10 1HB PRO 10 -12.064 5.778 4.177 61 2HB PRO 10 2HB PRO 10 -13.310 6.709 4.986 62 1HG PRO 10 1HG PRO 10 -10.925 7.675 3.531 63 2HG PRO 10 2HG PRO 10 -12.375 8.555 3.967 64 1HD PRO 10 1HD PRO 10 -9.817 8.717 5.254 65 2HD PRO 10 2HD PRO 10 -11.296 9.508 5.760 66 H VAL 11 H VAL 11 -11.848 3.900 5.345 67 HA VAL 11 HA VAL 11 -9.156 3.132 6.179 68 HB VAL 11 HB VAL 11 -11.731 1.704 5.643 69 1HG1 VAL 11 1HG1 VAL 11 -10.135 0.498 4.251 70 2HG1 VAL 11 2HG1 VAL 11 -8.988 0.398 5.609 71 3HG1 VAL 11 3HG1 VAL 11 -10.542 -0.467 5.691 72 1HG2 VAL 11 1HG2 VAL 11 -11.502 0.898 7.819 73 2HG2 VAL 11 2HG2 VAL 11 -9.739 1.141 7.834 74 3HG2 VAL 11 3HG2 VAL 11 -10.831 2.543 7.937 75 H LYS 12 H LYS 12 -7.585 2.459 4.724 76 HA LYS 12 HA LYS 12 -8.304 2.868 1.909 77 1HB LYS 12 1HB LYS 12 -6.357 4.112 3.396 78 2HB LYS 12 2HB LYS 12 -5.448 2.818 2.641 79 1HG LYS 12 1HG LYS 12 -5.765 3.644 0.495 80 2HG LYS 12 2HG LYS 12 -7.356 4.286 0.856 81 1HD LYS 12 1HD LYS 12 -6.055 5.996 2.392 82 2HD LYS 12 2HD LYS 12 -4.648 5.514 1.465 83 1HE LYS 12 1HE LYS 12 -7.241 6.521 0.201 84 2HE LYS 12 2HE LYS 12 -5.867 7.551 0.548 85 1HZ LYS 12 1HZ LYS 12 -6.010 5.328 -1.343 86 2HZ LYS 12 2HZ LYS 12 -5.578 6.877 -1.625 87 3HZ LYS 12 3HZ LYS 12 -4.570 5.883 -0.811 88 H HIS 13 H HIS 13 -8.513 1.076 0.690 89 HA HIS 13 HA HIS 13 -7.348 -1.373 1.741 90 1HB HIS 13 1HB HIS 13 -9.453 -2.002 1.271 91 2HB HIS 13 2HB HIS 13 -9.724 -0.669 0.167 92 HD1 HIS 13 HD1 HIS 13 -9.677 -4.193 0.117 93 HD2 HIS 13 HD2 HIS 13 -8.040 -1.263 -2.399 94 HE1 HIS 13 HE1 HIS 13 -9.254 -5.332 -2.127 95 HE2 HIS 13 HE2 HIS 13 -8.299 -3.469 -3.647 96 H VAL 14 H VAL 14 -5.714 -2.493 0.709 97 HA VAL 14 HA VAL 14 -4.755 -1.276 -1.789 98 HB VAL 14 HB VAL 14 -3.275 -2.408 0.582 99 1HG1 VAL 14 1HG1 VAL 14 -2.476 -2.329 -2.256 100 2HG1 VAL 14 2HG1 VAL 14 -1.307 -1.581 -1.140 101 3HG1 VAL 14 3HG1 VAL 14 -1.812 -3.271 -0.899 102 1HG2 VAL 14 1HG2 VAL 14 -3.134 0.279 -0.828 103 2HG2 VAL 14 2HG2 VAL 14 -3.922 -0.047 0.734 104 3HG2 VAL 14 3HG2 VAL 14 -2.157 -0.218 0.575 105 H LEU 15 H LEU 15 -4.537 -2.610 -3.540 106 HA LEU 15 HA LEU 15 -4.605 -5.488 -3.024 107 1HB LEU 15 1HB LEU 15 -6.881 -4.919 -3.466 108 2HB LEU 15 2HB LEU 15 -6.439 -3.943 -4.853 109 HG LEU 15 HG LEU 15 -5.526 -6.711 -5.114 110 1HD1 LEU 15 1HD1 LEU 15 -7.419 -7.919 -4.907 111 2HD1 LEU 15 2HD1 LEU 15 -7.855 -6.639 -3.749 112 3HD1 LEU 15 3HD1 LEU 15 -8.469 -6.575 -5.419 113 1HD2 LEU 15 1HD2 LEU 15 -5.624 -4.959 -6.906 114 2HD2 LEU 15 2HD2 LEU 15 -6.408 -6.502 -7.321 115 3HD2 LEU 15 3HD2 LEU 15 -7.398 -5.096 -6.860 116 H LEU 16 H LEU 16 -3.247 -6.678 -4.337 117 HA LEU 16 HA LEU 16 -1.928 -5.162 -6.478 118 1HB LEU 16 1HB LEU 16 -0.452 -7.230 -4.906 119 2HB LEU 16 2HB LEU 16 0.164 -5.885 -5.846 120 HG LEU 16 HG LEU 16 -0.882 -4.368 -4.043 121 1HD1 LEU 16 1HD1 LEU 16 -2.126 -5.381 -2.503 122 2HD1 LEU 16 2HD1 LEU 16 -1.550 -6.994 -2.988 123 3HD1 LEU 16 3HD1 LEU 16 -0.611 -6.026 -1.826 124 1HD2 LEU 16 1HD2 LEU 16 1.103 -4.729 -2.526 125 2HD2 LEU 16 2HD2 LEU 16 1.524 -6.130 -3.540 126 3HD2 LEU 16 3HD2 LEU 16 1.478 -4.498 -4.250 127 H ALA 17 H ALA 17 -2.090 -6.095 -8.448 128 HA ALA 17 HA ALA 17 -2.489 -8.994 -8.528 129 1HB ALA 17 1HB ALA 17 -4.693 -7.753 -8.663 130 2HB ALA 17 2HB ALA 17 -4.103 -7.004 -10.166 131 3HB ALA 17 3HB ALA 17 -4.322 -8.768 -10.077 132 H SER 18 H SER 18 -1.533 -10.011 -10.327 133 HA SER 18 HA SER 18 0.084 -8.188 -11.931 134 1HB SER 18 1HB SER 18 1.210 -9.891 -10.306 135 2HB SER 18 2HB SER 18 0.720 -11.120 -11.456 136 HG SER 18 HG SER 18 2.509 -8.895 -11.880 137 H PHE 19 H PHE 19 0.186 -8.551 -14.220 138 HA PHE 19 HA PHE 19 -2.061 -10.098 -15.209 139 1HB PHE 19 1HB PHE 19 -0.010 -8.192 -16.490 140 2HB PHE 19 2HB PHE 19 -1.394 -8.847 -17.341 141 HD1 PHE 19 HD1 PHE 19 -0.304 -6.476 -14.770 142 HD2 PHE 19 HD2 PHE 19 -3.624 -8.003 -16.927 143 HE1 PHE 19 HE1 PHE 19 -1.698 -4.538 -13.997 144 HE2 PHE 19 HE2 PHE 19 -5.018 -6.065 -16.154 145 HZ PHE 19 HZ PHE 19 -4.038 -4.355 -14.698 146 H LYS 20 H LYS 20 -1.754 -12.190 -15.797 147 HA LYS 20 HA LYS 20 0.573 -13.533 -15.885 148 1HB LYS 20 1HB LYS 20 -2.067 -13.904 -17.249 149 2HB LYS 20 2HB LYS 20 -0.741 -14.956 -17.700 150 1HG LYS 20 1HG LYS 20 -0.886 -14.651 -14.785 151 2HG LYS 20 2HG LYS 20 -2.416 -15.212 -15.431 152 1HD LYS 20 1HD LYS 20 0.288 -16.488 -16.063 153 2HD LYS 20 2HD LYS 20 -0.821 -17.081 -14.843 154 1HE LYS 20 1HE LYS 20 -2.456 -17.724 -16.454 155 2HE LYS 20 2HE LYS 20 -1.783 -16.686 -17.695 156 1HZ LYS 20 1HZ LYS 20 -0.022 -18.125 -18.014 157 2HZ LYS 20 2HZ LYS 20 -0.223 -18.898 -16.589 158 3HZ LYS 20 3HZ LYS 20 -1.283 -19.142 -17.807 159 H ASP 21 H ASP 21 1.767 -14.498 -17.821 160 HA ASP 21 HA ASP 21 2.725 -12.318 -19.335 161 1HB ASP 21 1HB ASP 21 3.893 -14.555 -18.452 162 2HB ASP 21 2HB ASP 21 3.352 -15.206 -19.986 163 H GLY 22 H GLY 22 2.218 -11.805 -21.505 164 1HA GLY 22 1HA GLY 22 1.620 -12.499 -23.702 165 2HA GLY 22 2HA GLY 22 0.608 -13.758 -23.022 166 H VAL 23 H VAL 23 0.599 -10.621 -21.415 167 HA VAL 23 HA VAL 23 -2.146 -10.253 -22.321 168 HB VAL 23 HB VAL 23 -0.537 -8.996 -20.089 169 1HG1 VAL 23 1HG1 VAL 23 -2.157 -7.490 -19.773 170 2HG1 VAL 23 2HG1 VAL 23 -2.812 -7.966 -21.358 171 3HG1 VAL 23 3HG1 VAL 23 -3.424 -8.736 -19.874 172 1HG2 VAL 23 1HG2 VAL 23 -1.685 -10.409 -18.588 173 2HG2 VAL 23 2HG2 VAL 23 -2.878 -10.892 -19.818 174 3HG2 VAL 23 3HG2 VAL 23 -1.198 -11.469 -19.932 175 H SER 24 H SER 24 -2.679 -8.765 -23.838 176 HA SER 24 HA SER 24 -0.611 -7.264 -25.019 177 1HB SER 24 1HB SER 24 -3.528 -7.719 -25.472 178 2HB SER 24 2HB SER 24 -2.901 -6.202 -26.085 179 HG SER 24 HG SER 24 -1.670 -7.234 -27.560 180 HA PRO 25 HA PRO 25 -1.102 -3.500 -22.892 181 1HB PRO 25 1HB PRO 25 -0.525 -1.620 -24.789 182 2HB PRO 25 2HB PRO 25 0.705 -2.543 -23.950 183 1HG PRO 25 1HG PRO 25 -0.275 -2.850 -26.722 184 2HG PRO 25 2HG PRO 25 1.209 -3.452 -26.009 185 1HD PRO 25 1HD PRO 25 -1.157 -4.969 -26.587 186 2HD PRO 25 2HD PRO 25 0.283 -5.543 -25.769 187 H GLU 26 H GLU 26 -2.865 -3.666 -25.902 188 HA GLU 26 HA GLU 26 -4.505 -1.507 -25.408 189 1HB GLU 26 1HB GLU 26 -4.180 -3.291 -27.461 190 2HB GLU 26 2HB GLU 26 -5.711 -3.848 -26.815 191 1HG GLU 26 1HG GLU 26 -6.543 -1.437 -26.915 192 2HG GLU 26 2HG GLU 26 -5.055 -1.012 -27.737 193 H LYS 27 H LYS 27 -4.464 -4.773 -24.069 194 HA LYS 27 HA LYS 27 -7.168 -4.690 -23.148 195 1HB LYS 27 1HB LYS 27 -4.984 -6.599 -23.272 196 2HB LYS 27 2HB LYS 27 -5.735 -6.618 -21.690 197 1HG LYS 27 1HG LYS 27 -7.931 -6.456 -23.427 198 2HG LYS 27 2HG LYS 27 -6.822 -7.502 -24.291 199 1HD LYS 27 1HD LYS 27 -7.532 -9.203 -22.966 200 2HD LYS 27 2HD LYS 27 -6.675 -8.439 -21.642 201 1HE LYS 27 1HE LYS 27 -8.737 -8.356 -20.646 202 2HE LYS 27 2HE LYS 27 -8.979 -6.939 -21.649 203 1HZ LYS 27 1HZ LYS 27 -9.537 -9.485 -22.883 204 2HZ LYS 27 2HZ LYS 27 -10.572 -9.010 -21.713 205 3HZ LYS 27 3HZ LYS 27 -10.329 -8.063 -23.021 206 H ILE 28 H ILE 28 -3.904 -3.966 -21.832 207 HA ILE 28 HA ILE 28 -4.650 -3.675 -19.175 208 HB ILE 28 HB ILE 28 -2.451 -2.507 -20.860 209 1HG1 ILE 28 1HG1 ILE 28 -2.226 -4.460 -18.571 210 2HG1 ILE 28 2HG1 ILE 28 -2.624 -4.999 -20.191 211 1HG2 ILE 28 1HG2 ILE 28 -2.702 -0.825 -19.239 212 2HG2 ILE 28 2HG2 ILE 28 -3.050 -1.997 -17.946 213 3HG2 ILE 28 3HG2 ILE 28 -1.407 -1.876 -18.618 214 1HD1 ILE 28 1HD1 ILE 28 -0.041 -4.123 -19.107 215 2HD1 ILE 28 2HD1 ILE 28 -0.391 -5.028 -20.600 216 3HD1 ILE 28 3HD1 ILE 28 -0.463 -3.249 -20.599 217 H GLU 29 H GLU 29 -4.491 -1.228 -21.848 218 HA GLU 29 HA GLU 29 -5.393 0.857 -20.248 219 1HB GLU 29 1HB GLU 29 -5.867 1.987 -22.454 220 2HB GLU 29 2HB GLU 29 -4.249 1.327 -22.326 221 1HG GLU 29 1HG GLU 29 -4.851 -0.623 -23.662 222 2HG GLU 29 2HG GLU 29 -6.552 -0.209 -23.608 223 H GLU 30 H GLU 30 -7.060 -1.672 -22.142 224 HA GLU 30 HA GLU 30 -9.564 -0.467 -22.146 225 1HB GLU 30 1HB GLU 30 -8.397 -3.075 -22.814 226 2HB GLU 30 2HB GLU 30 -9.994 -3.253 -22.116 227 1HG GLU 30 1HG GLU 30 -9.941 -1.031 -24.029 228 2HG GLU 30 2HG GLU 30 -9.371 -2.509 -24.780 229 H LEU 31 H LEU 31 -7.987 -2.802 -19.876 230 HA LEU 31 HA LEU 31 -10.221 -3.129 -18.223 231 1HB LEU 31 1HB LEU 31 -7.298 -3.656 -18.057 232 2HB LEU 31 2HB LEU 31 -8.201 -3.642 -16.555 233 HG LEU 31 HG LEU 31 -9.684 -5.227 -18.396 234 1HD1 LEU 31 1HD1 LEU 31 -6.716 -5.656 -18.535 235 2HD1 LEU 31 2HD1 LEU 31 -7.829 -7.041 -18.651 236 3HD1 LEU 31 3HD1 LEU 31 -7.938 -5.709 -19.828 237 1HD2 LEU 31 1HD2 LEU 31 -8.964 -7.057 -16.744 238 2HD2 LEU 31 2HD2 LEU 31 -8.118 -5.754 -15.876 239 3HD2 LEU 31 3HD2 LEU 31 -9.880 -5.669 -16.110 240 H ILE 32 H ILE 32 -7.420 -0.844 -18.115 241 HA ILE 32 HA ILE 32 -8.241 0.384 -15.722 242 HB ILE 32 HB ILE 32 -6.433 1.269 -17.969 243 1HG1 ILE 32 1HG1 ILE 32 -5.718 0.281 -15.198 244 2HG1 ILE 32 2HG1 ILE 32 -5.835 -0.776 -16.590 245 1HG2 ILE 32 1HG2 ILE 32 -7.431 2.745 -15.630 246 2HG2 ILE 32 2HG2 ILE 32 -5.658 2.718 -15.781 247 3HG2 ILE 32 3HG2 ILE 32 -6.656 3.330 -17.122 248 1HD1 ILE 32 1HD1 ILE 32 -3.534 -0.180 -16.497 249 2HD1 ILE 32 2HD1 ILE 32 -4.202 0.871 -17.769 250 3HD1 ILE 32 3HD1 ILE 32 -3.903 1.525 -16.141 251 H LYS 33 H LYS 33 -9.096 0.805 -19.153 252 HA LYS 33 HA LYS 33 -10.312 3.329 -18.835 253 1HB LYS 33 1HB LYS 33 -10.097 1.246 -20.927 254 2HB LYS 33 2HB LYS 33 -11.543 2.232 -21.011 255 1HG LYS 33 1HG LYS 33 -8.819 3.523 -20.628 256 2HG LYS 33 2HG LYS 33 -9.365 3.063 -22.228 257 1HD LYS 33 1HD LYS 33 -10.838 4.937 -20.316 258 2HD LYS 33 2HD LYS 33 -9.931 5.432 -21.732 259 1HE LYS 33 1HE LYS 33 -11.586 3.647 -22.931 260 2HE LYS 33 2HE LYS 33 -12.608 4.066 -21.570 261 1HZ LYS 33 1HZ LYS 33 -11.524 6.406 -22.591 262 2HZ LYS 33 2HZ LYS 33 -12.122 5.555 -23.850 263 3HZ LYS 33 3HZ LYS 33 -13.089 5.936 -22.590 264 H GLY 34 H GLY 34 -11.555 -0.069 -18.782 265 1HA GLY 34 1HA GLY 34 -14.259 0.547 -18.457 266 2HA GLY 34 2HA GLY 34 -13.460 -0.933 -17.963 267 H TYR 35 H TYR 35 -11.622 0.003 -16.022 268 HA TYR 35 HA TYR 35 -13.103 0.014 -13.737 269 1HB TYR 35 1HB TYR 35 -10.372 0.772 -14.714 270 2HB TYR 35 2HB TYR 35 -10.797 1.565 -13.211 271 HD1 TYR 35 HD1 TYR 35 -9.282 -1.271 -14.580 272 HD2 TYR 35 HD2 TYR 35 -11.875 -0.105 -11.383 273 HE1 TYR 35 HE1 TYR 35 -8.640 -3.363 -13.287 274 HE2 TYR 35 HE2 TYR 35 -11.225 -2.202 -10.101 275 HH TYR 35 HH TYR 35 -8.959 -3.740 -10.199 276 H ALA 36 H ALA 36 -11.804 2.894 -15.522 277 HA ALA 36 HA ALA 36 -12.686 4.809 -13.727 278 1HB ALA 36 1HB ALA 36 -12.443 4.995 -16.758 279 2HB ALA 36 2HB ALA 36 -12.415 6.354 -15.609 280 3HB ALA 36 3HB ALA 36 -11.094 5.161 -15.608 281 H ASN 37 H ASN 37 -14.370 3.101 -16.404 282 HA ASN 37 HA ASN 37 -16.650 4.735 -16.249 283 1HB ASN 37 1HB ASN 37 -15.693 2.781 -17.996 284 2HB ASN 37 2HB ASN 37 -17.023 1.941 -17.223 285 1HD2 ASN 37 1HD2 ASN 37 -16.124 4.008 -19.663 286 2HD2 ASN 37 2HD2 ASN 37 -17.660 4.676 -20.103 287 H LEU 38 H LEU 38 -15.589 1.568 -14.879 288 HA LEU 38 HA LEU 38 -18.055 0.831 -13.777 289 1HB LEU 38 1HB LEU 38 -15.338 -0.108 -13.831 290 2HB LEU 38 2HB LEU 38 -15.963 -0.215 -12.197 291 HG LEU 38 HG LEU 38 -18.017 -1.380 -13.300 292 1HD1 LEU 38 1HD1 LEU 38 -17.730 -1.078 -15.585 293 2HD1 LEU 38 2HD1 LEU 38 -15.988 -1.435 -15.521 294 3HD1 LEU 38 3HD1 LEU 38 -17.173 -2.749 -15.328 295 1HD2 LEU 38 1HD2 LEU 38 -15.483 -2.330 -12.312 296 2HD2 LEU 38 2HD2 LEU 38 -17.110 -3.029 -12.126 297 3HD2 LEU 38 3HD2 LEU 38 -16.119 -3.445 -13.545 298 H VAL 39 H VAL 39 -15.373 2.912 -12.634 299 HA VAL 39 HA VAL 39 -16.237 3.109 -9.979 300 HB VAL 39 HB VAL 39 -14.707 5.089 -11.679 301 1HG1 VAL 39 1HG1 VAL 39 -13.952 6.105 -9.710 302 2HG1 VAL 39 2HG1 VAL 39 -15.679 5.814 -9.393 303 3HG1 VAL 39 3HG1 VAL 39 -14.451 4.732 -8.693 304 1HG2 VAL 39 1HG2 VAL 39 -13.083 3.498 -9.893 305 2HG2 VAL 39 2HG2 VAL 39 -14.019 2.444 -10.980 306 3HG2 VAL 39 3HG2 VAL 39 -12.958 3.704 -11.656 307 H ASN 40 H ASN 40 -17.197 4.749 -13.004 308 HA ASN 40 HA ASN 40 -18.636 6.773 -11.685 309 1HB ASN 40 1HB ASN 40 -17.865 7.077 -14.005 310 2HB ASN 40 2HB ASN 40 -18.757 5.665 -14.537 311 1HD2 ASN 40 1HD2 ASN 40 -20.653 5.977 -15.410 312 2HD2 ASN 40 2HD2 ASN 40 -21.682 7.358 -15.224 313 H LEU 41 H LEU 41 -19.252 3.451 -12.831 314 HA LEU 41 HA LEU 41 -22.099 3.668 -12.660 315 1HB LEU 41 1HB LEU 41 -20.117 1.756 -13.569 316 2HB LEU 41 2HB LEU 41 -21.370 0.973 -12.627 317 HG LEU 41 HG LEU 41 -22.942 2.455 -14.225 318 1HD1 LEU 41 1HD1 LEU 41 -22.112 3.017 -16.262 319 2HD1 LEU 41 2HD1 LEU 41 -20.620 3.200 -15.309 320 3HD1 LEU 41 3HD1 LEU 41 -20.895 1.718 -16.257 321 1HD2 LEU 41 1HD2 LEU 41 -23.642 0.446 -14.873 322 2HD2 LEU 41 2HD2 LEU 41 -22.100 0.086 -15.687 323 3HD2 LEU 41 3HD2 LEU 41 -22.282 -0.232 -13.945 324 H ILE 42 H ILE 42 -19.498 2.047 -10.714 325 HA ILE 42 HA ILE 42 -21.195 1.122 -8.720 326 HB ILE 42 HB ILE 42 -18.271 1.871 -8.640 327 1HG1 ILE 42 1HG1 ILE 42 -19.414 -0.908 -8.865 328 2HG1 ILE 42 2HG1 ILE 42 -19.187 0.084 -10.292 329 1HG2 ILE 42 1HG2 ILE 42 -19.393 -0.140 -6.763 330 2HG2 ILE 42 2HG2 ILE 42 -18.058 1.018 -6.553 331 3HG2 ILE 42 3HG2 ILE 42 -19.745 1.571 -6.422 332 1HD1 ILE 42 1HD1 ILE 42 -17.211 -1.419 -8.835 333 2HD1 ILE 42 2HD1 ILE 42 -16.992 -0.455 -10.315 334 3HD1 ILE 42 3HD1 ILE 42 -16.792 0.307 -8.719 335 H GLU 43 H GLU 43 -22.722 2.534 -7.915 336 HA GLU 43 HA GLU 43 -22.321 5.201 -7.484 337 1HB GLU 43 1HB GLU 43 -24.396 3.349 -7.120 338 2HB GLU 43 2HB GLU 43 -24.123 3.973 -5.505 339 1HG GLU 43 1HG GLU 43 -24.291 5.905 -7.834 340 2HG GLU 43 2HG GLU 43 -25.767 5.239 -7.162 341 HA PRO 44 HA PRO 44 -21.036 4.081 -3.057 342 1HB PRO 44 1HB PRO 44 -20.565 1.474 -2.384 343 2HB PRO 44 2HB PRO 44 -22.092 2.280 -2.085 344 1HG PRO 44 1HG PRO 44 -21.424 0.285 -4.162 345 2HG PRO 44 2HG PRO 44 -23.002 0.776 -3.579 346 1HD PRO 44 1HD PRO 44 -21.764 1.559 -6.045 347 2HD PRO 44 2HD PRO 44 -23.290 2.140 -5.407 348 H MET 45 H MET 45 -19.211 5.239 -3.520 349 HA MET 45 HA MET 45 -16.858 3.776 -3.279 350 1HB MET 45 1HB MET 45 -17.492 3.242 -5.706 351 2HB MET 45 2HB MET 45 -17.377 4.953 -6.066 352 1HG MET 45 1HG MET 45 -15.184 4.519 -6.547 353 2HG MET 45 2HG MET 45 -14.946 4.510 -4.811 354 1HE MET 45 1HE MET 45 -14.522 2.674 -7.987 355 2HE MET 45 2HE MET 45 -14.928 0.970 -7.671 356 3HE MET 45 3HE MET 45 -16.220 2.192 -7.759 357 H LYS 46 H LYS 46 -16.184 5.300 -1.771 358 HA LYS 46 HA LYS 46 -16.622 7.983 -1.821 359 1HB LYS 46 1HB LYS 46 -15.230 6.190 -0.233 360 2HB LYS 46 2HB LYS 46 -13.968 7.268 -0.794 361 1HG LYS 46 1HG LYS 46 -14.649 8.738 0.797 362 2HG LYS 46 2HG LYS 46 -16.080 9.016 -0.176 363 1HD LYS 46 1HD LYS 46 -17.352 8.121 1.470 364 2HD LYS 46 2HD LYS 46 -16.562 6.577 1.224 365 1HE LYS 46 1HE LYS 46 -15.696 6.786 3.314 366 2HE LYS 46 2HE LYS 46 -14.668 8.060 2.689 367 1HZ LYS 46 1HZ LYS 46 -16.927 9.375 3.068 368 2HZ LYS 46 2HZ LYS 46 -17.056 8.268 4.262 369 3HZ LYS 46 3HZ LYS 46 -15.758 9.257 4.202 370 H ALA 47 H ALA 47 -13.636 6.309 -3.053 371 HA ALA 47 HA ALA 47 -13.544 8.008 -5.326 372 1HB ALA 47 1HB ALA 47 -11.338 8.429 -3.281 373 2HB ALA 47 2HB ALA 47 -11.626 9.329 -4.789 374 3HB ALA 47 3HB ALA 47 -12.745 9.510 -3.417 375 H PHE 48 H PHE 48 -11.742 7.386 -6.768 376 HA PHE 48 HA PHE 48 -10.677 4.755 -6.010 377 1HB PHE 48 1HB PHE 48 -12.415 4.736 -7.827 378 2HB PHE 48 2HB PHE 48 -11.542 5.981 -8.697 379 HD1 PHE 48 HD1 PHE 48 -11.108 2.511 -7.407 380 HD2 PHE 48 HD2 PHE 48 -10.039 5.370 -10.355 381 HE1 PHE 48 HE1 PHE 48 -9.837 0.745 -8.657 382 HE2 PHE 48 HE2 PHE 48 -8.767 3.604 -11.606 383 HZ PHE 48 HZ PHE 48 -8.681 1.313 -10.742 384 H HIS 49 H HIS 49 -8.499 4.740 -5.755 385 HA HIS 49 HA HIS 49 -7.000 6.760 -7.257 386 1HB HIS 49 1HB HIS 49 -7.018 6.049 -4.466 387 2HB HIS 49 2HB HIS 49 -5.430 5.727 -5.132 388 HD1 HIS 49 HD1 HIS 49 -7.412 8.404 -3.725 389 HD2 HIS 49 HD2 HIS 49 -4.379 8.142 -6.611 390 HE1 HIS 49 HE1 HIS 49 -6.461 10.758 -3.978 391 HE2 HIS 49 HE2 HIS 49 -4.566 10.523 -5.724 392 H TRP 50 H TRP 50 -5.120 6.121 -8.394 393 HA TRP 50 HA TRP 50 -4.553 3.250 -8.392 394 1HB TRP 50 1HB TRP 50 -4.893 2.928 -10.608 395 2HB TRP 50 2HB TRP 50 -6.170 4.080 -10.276 396 HD1 TRP 50 HD1 TRP 50 -5.769 6.641 -11.228 397 HE1 TRP 50 HE1 TRP 50 -4.321 7.644 -13.193 398 HE3 TRP 50 HE3 TRP 50 -2.738 2.593 -11.762 399 HZ2 TRP 50 HZ2 TRP 50 -2.119 6.654 -14.715 400 HZ3 TRP 50 HZ3 TRP 50 -0.964 2.693 -13.511 401 HH2 TRP 50 HH2 TRP 50 -0.630 4.634 -14.959 402 H GLY 51 H GLY 51 -2.338 2.794 -9.087 403 1HA GLY 51 1HA GLY 51 -0.598 5.086 -9.561 404 2HA GLY 51 2HA GLY 51 -0.342 4.204 -8.068 405 H LYS 52 H LYS 52 1.661 4.345 -10.062 406 HA LYS 52 HA LYS 52 1.612 1.595 -11.098 407 1HB LYS 52 1HB LYS 52 1.576 2.905 -13.019 408 2HB LYS 52 2HB LYS 52 2.571 4.166 -12.320 409 1HG LYS 52 1HG LYS 52 4.509 2.509 -12.268 410 2HG LYS 52 2HG LYS 52 3.497 1.373 -13.137 411 1HD LYS 52 1HD LYS 52 3.178 3.534 -14.759 412 2HD LYS 52 2HD LYS 52 4.755 3.925 -14.102 413 1HE LYS 52 1HE LYS 52 5.138 1.271 -14.682 414 2HE LYS 52 2HE LYS 52 3.954 1.676 -15.909 415 1HZ LYS 52 1HZ LYS 52 6.648 2.318 -15.864 416 2HZ LYS 52 2HZ LYS 52 5.552 2.662 -17.025 417 3HZ LYS 52 3HZ LYS 52 5.818 3.723 -15.812 418 H ASP 53 H ASP 53 3.447 0.303 -10.761 419 HA ASP 53 HA ASP 53 4.817 0.782 -8.436 420 1HB ASP 53 1HB ASP 53 6.225 -1.127 -9.093 421 2HB ASP 53 2HB ASP 53 4.549 -1.452 -9.492 422 H VAL 54 H VAL 54 6.252 2.506 -8.154 423 HA VAL 54 HA VAL 54 7.699 3.551 -10.403 424 HB VAL 54 HB VAL 54 7.635 4.235 -7.459 425 1HG1 VAL 54 1HG1 VAL 54 9.184 5.445 -9.749 426 2HG1 VAL 54 2HG1 VAL 54 8.699 6.424 -8.343 427 3HG1 VAL 54 3HG1 VAL 54 9.746 5.001 -8.119 428 1HG2 VAL 54 1HG2 VAL 54 5.606 4.999 -8.147 429 2HG2 VAL 54 2HG2 VAL 54 6.583 6.378 -8.707 430 3HG2 VAL 54 3HG2 VAL 54 6.099 5.106 -9.854 431 H SER 55 H SER 55 9.571 2.708 -11.139 432 HA SER 55 HA SER 55 11.652 2.004 -11.066 433 1HB SER 55 1HB SER 55 11.436 2.905 -8.463 434 2HB SER 55 2HB SER 55 11.803 1.212 -8.203 435 HG SER 55 HG SER 55 13.770 2.354 -8.345 436 H ILE 56 H ILE 56 10.596 0.236 -12.294 437 HA ILE 56 HA ILE 56 10.032 -2.160 -10.741 438 HB ILE 56 HB ILE 56 8.495 -1.239 -12.523 439 1HG1 ILE 56 1HG1 ILE 56 9.430 -4.100 -12.886 440 2HG1 ILE 56 2HG1 ILE 56 8.413 -3.550 -11.569 441 1HG2 ILE 56 1HG2 ILE 56 10.445 -2.493 -14.461 442 2HG2 ILE 56 2HG2 ILE 56 8.968 -1.566 -14.816 443 3HG2 ILE 56 3HG2 ILE 56 10.390 -0.745 -14.128 444 1HD1 ILE 56 1HD1 ILE 56 7.360 -2.609 -14.130 445 2HD1 ILE 56 2HD1 ILE 56 7.559 -4.377 -14.129 446 3HD1 ILE 56 3HD1 ILE 56 6.564 -3.593 -12.879 447 H GLU 57 H GLU 57 12.622 -0.611 -12.366 448 HA GLU 57 HA GLU 57 13.931 -2.430 -13.754 449 1HB GLU 57 1HB GLU 57 14.751 -0.262 -11.899 450 2HB GLU 57 2HB GLU 57 16.003 -1.449 -12.204 451 1HG GLU 57 1HG GLU 57 15.700 -1.149 -14.665 452 2HG GLU 57 2HG GLU 57 14.429 0.022 -14.372 453 H ASN 58 H ASN 58 13.999 -2.247 -10.124 454 HA ASN 58 HA ASN 58 14.282 -5.094 -10.071 455 1HB ASN 58 1HB ASN 58 16.302 -5.036 -8.596 456 2HB ASN 58 2HB ASN 58 16.655 -4.367 -10.177 457 1HD2 ASN 58 1HD2 ASN 58 18.405 -3.653 -8.474 458 2HD2 ASN 58 2HD2 ASN 58 18.212 -2.048 -7.853 459 H LEU 59 H LEU 59 14.172 -5.845 -7.651 460 HA LEU 59 HA LEU 59 13.376 -5.713 -5.582 461 1HB LEU 59 1HB LEU 59 14.263 -3.078 -6.034 462 2HB LEU 59 2HB LEU 59 12.664 -2.933 -5.333 463 HG LEU 59 HG LEU 59 14.879 -4.598 -4.111 464 1HD1 LEU 59 1HD1 LEU 59 14.103 -1.720 -3.589 465 2HD1 LEU 59 2HD1 LEU 59 15.078 -2.704 -2.471 466 3HD1 LEU 59 3HD1 LEU 59 15.683 -2.355 -4.108 467 1HD2 LEU 59 1HD2 LEU 59 12.199 -4.733 -3.632 468 2HD2 LEU 59 2HD2 LEU 59 13.469 -5.143 -2.455 469 3HD2 LEU 59 3HD2 LEU 59 12.713 -3.531 -2.423 470 H HIS 60 H HIS 60 11.697 -6.918 -6.923 471 HA HIS 60 HA HIS 60 9.163 -5.938 -6.190 472 1HB HIS 60 1HB HIS 60 8.160 -5.502 -8.294 473 2HB HIS 60 2HB HIS 60 9.608 -4.519 -8.200 474 HD1 HIS 60 HD1 HIS 60 8.105 -7.426 -10.053 475 HD2 HIS 60 HD2 HIS 60 11.671 -5.217 -10.021 476 HE1 HIS 60 HE1 HIS 60 9.365 -8.071 -12.177 477 HE2 HIS 60 HE2 HIS 60 11.521 -6.642 -12.129 478 H GLN 61 H GLN 61 7.513 -7.582 -6.454 479 HA GLN 61 HA GLN 61 8.742 -10.172 -6.892 480 1HB GLN 61 1HB GLN 61 7.167 -9.247 -4.826 481 2HB GLN 61 2HB GLN 61 5.967 -10.042 -5.825 482 1HG GLN 61 1HG GLN 61 6.960 -11.607 -4.158 483 2HG GLN 61 2HG GLN 61 7.254 -12.140 -5.802 484 1HE2 GLN 61 1HE2 GLN 61 8.689 -10.024 -3.321 485 2HE2 GLN 61 2HE2 GLN 61 10.340 -10.489 -3.562 486 H GLY 62 H GLY 62 6.673 -7.850 -8.384 487 1HA GLY 62 1HA GLY 62 6.227 -8.367 -10.741 488 2HA GLY 62 2HA GLY 62 5.624 -9.926 -10.216 489 H TYR 63 H TYR 63 5.099 -6.835 -8.459 490 HA TYR 63 HA TYR 63 2.276 -7.304 -8.467 491 1HB TYR 63 1HB TYR 63 4.239 -5.130 -7.537 492 2HB TYR 63 2HB TYR 63 2.514 -4.934 -7.303 493 HD1 TYR 63 HD1 TYR 63 5.092 -5.364 -5.365 494 HD2 TYR 63 HD2 TYR 63 1.715 -7.710 -6.548 495 HE1 TYR 63 HE1 TYR 63 5.232 -6.676 -3.191 496 HE2 TYR 63 HE2 TYR 63 1.866 -9.013 -4.371 497 HH TYR 63 HH TYR 63 4.576 -8.602 -2.209 498 H THR 64 H THR 64 4.587 -5.144 -10.161 499 HA THR 64 HA THR 64 4.336 -3.794 -11.909 500 HB THR 64 HB THR 64 2.894 -4.555 -13.615 501 HG1 THR 64 HG1 THR 64 1.081 -5.612 -11.603 502 1HG2 THR 64 1HG2 THR 64 2.696 -6.936 -13.485 503 2HG2 THR 64 2HG2 THR 64 4.083 -6.577 -12.430 504 3HG2 THR 64 3HG2 THR 64 2.485 -6.904 -11.718 505 H HIS 65 H HIS 65 1.042 -4.110 -10.412 506 HA HIS 65 HA HIS 65 1.203 -1.310 -9.732 507 1HB HIS 65 1HB HIS 65 -0.929 -2.397 -11.591 508 2HB HIS 65 2HB HIS 65 -1.022 -0.845 -10.782 509 HD1 HIS 65 HD1 HIS 65 1.450 -2.653 -13.104 510 HD2 HIS 65 HD2 HIS 65 -0.029 1.189 -12.301 511 HE1 HIS 65 HE1 HIS 65 2.513 -1.102 -14.830 512 HE2 HIS 65 HE2 HIS 65 1.524 1.234 -14.320 513 H ILE 66 H ILE 66 -1.214 -0.789 -8.699 514 HA ILE 66 HA ILE 66 -2.207 -3.102 -7.290 515 HB ILE 66 HB ILE 66 -1.826 -2.123 -5.073 516 1HG1 ILE 66 1HG1 ILE 66 0.321 -0.316 -6.022 517 2HG1 ILE 66 2HG1 ILE 66 -1.312 0.226 -6.354 518 1HG2 ILE 66 1HG2 ILE 66 0.833 -2.474 -6.457 519 2HG2 ILE 66 2HG2 ILE 66 0.357 -2.943 -4.807 520 3HG2 ILE 66 3HG2 ILE 66 -0.296 -3.827 -6.207 521 1HD1 ILE 66 1HD1 ILE 66 0.040 -0.229 -3.707 522 2HD1 ILE 66 2HD1 ILE 66 -1.052 1.082 -4.212 523 3HD1 ILE 66 3HD1 ILE 66 -1.713 -0.519 -3.805 524 H PHE 67 H PHE 67 -4.354 -2.839 -6.687 525 HA PHE 67 HA PHE 67 -5.516 -0.299 -7.547 526 1HB PHE 67 1HB PHE 67 -6.570 -3.140 -7.026 527 2HB PHE 67 2HB PHE 67 -7.635 -1.809 -7.433 528 HD1 PHE 67 HD1 PHE 67 -6.626 -4.577 -8.843 529 HD2 PHE 67 HD2 PHE 67 -6.138 -0.420 -9.540 530 HE1 PHE 67 HE1 PHE 67 -6.258 -5.030 -11.284 531 HE2 PHE 67 HE2 PHE 67 -5.770 -0.872 -11.981 532 HZ PHE 67 HZ PHE 67 -5.835 -3.172 -12.824 533 H GLU 68 H GLU 68 -6.252 1.130 -6.050 534 HA GLU 68 HA GLU 68 -6.921 0.012 -3.440 535 1HB GLU 68 1HB GLU 68 -5.653 2.744 -3.897 536 2HB GLU 68 2HB GLU 68 -5.962 1.974 -2.354 537 1HG GLU 68 1HG GLU 68 -4.131 0.580 -2.521 538 2HG GLU 68 2HG GLU 68 -4.327 0.348 -4.247 539 H SER 69 H SER 69 -9.040 0.338 -2.927 540 HA SER 69 HA SER 69 -10.327 2.613 -4.224 541 1HB SER 69 1HB SER 69 -11.238 -0.205 -3.696 542 2HB SER 69 2HB SER 69 -12.447 1.061 -3.613 543 HG SER 69 HG SER 69 -10.771 1.271 -5.852 544 H THR 70 H THR 70 -11.420 4.087 -2.904 545 HA THR 70 HA THR 70 -11.047 3.733 -0.049 546 HB THR 70 HB THR 70 -11.951 6.016 -1.871 547 HG1 THR 70 HG1 THR 70 -9.693 5.295 -0.143 548 1HG2 THR 70 1HG2 THR 70 -11.973 7.464 0.066 549 2HG2 THR 70 2HG2 THR 70 -13.011 6.083 0.494 550 3HG2 THR 70 3HG2 THR 70 -11.347 6.173 1.120 551 H PHE 71 H PHE 71 -12.539 3.096 1.383 552 HA PHE 71 HA PHE 71 -15.323 3.136 0.461 553 1HB PHE 71 1HB PHE 71 -13.840 1.025 2.140 554 2HB PHE 71 2HB PHE 71 -15.526 0.927 1.673 555 HD1 PHE 71 HD1 PHE 71 -12.157 0.193 0.730 556 HD2 PHE 71 HD2 PHE 71 -16.072 0.750 -0.810 557 HE1 PHE 71 HE1 PHE 71 -11.506 -1.025 -1.366 558 HE2 PHE 71 HE2 PHE 71 -15.421 -0.467 -2.907 559 HZ PHE 71 HZ PHE 71 -13.146 -1.340 -3.159 560 H GLU 72 H GLU 72 -16.930 3.124 2.268 561 HA GLU 72 HA GLU 72 -16.179 5.017 4.183 562 1HB GLU 72 1HB GLU 72 -18.517 4.476 3.121 563 2HB GLU 72 2HB GLU 72 -18.656 3.281 4.395 564 1HG GLU 72 1HG GLU 72 -18.571 4.926 6.123 565 2HG GLU 72 2HG GLU 72 -17.879 6.139 5.064 566 H SER 73 H SER 73 -16.401 1.460 4.151 567 HA SER 73 HA SER 73 -14.750 1.225 6.351 568 1HB SER 73 1HB SER 73 -17.425 1.754 7.117 569 2HB SER 73 2HB SER 73 -17.227 0.029 7.349 570 HG SER 73 HG SER 73 -15.898 2.199 8.636 571 H LYS 74 H LYS 74 -15.707 -1.326 7.356 572 HA LYS 74 HA LYS 74 -14.962 -2.954 5.138 573 1HB LYS 74 1HB LYS 74 -14.993 -4.764 6.727 574 2HB LYS 74 2HB LYS 74 -14.211 -3.375 7.456 575 1HG LYS 74 1HG LYS 74 -16.785 -2.892 8.234 576 2HG LYS 74 2HG LYS 74 -16.848 -4.639 8.119 577 1HD LYS 74 1HD LYS 74 -16.127 -4.353 10.332 578 2HD LYS 74 2HD LYS 74 -14.600 -4.574 9.502 579 1HE LYS 74 1HE LYS 74 -14.208 -2.657 10.836 580 2HE LYS 74 2HE LYS 74 -14.557 -1.975 9.260 581 1HZ LYS 74 1HZ LYS 74 -15.906 -0.804 10.671 582 2HZ LYS 74 2HZ LYS 74 -16.944 -1.935 10.115 583 3HZ LYS 74 3HZ LYS 74 -16.288 -2.089 11.603 584 H GLU 75 H GLU 75 -17.968 -1.872 6.642 585 HA GLU 75 HA GLU 75 -19.560 -3.948 5.652 586 1HB GLU 75 1HB GLU 75 -20.392 -1.093 6.329 587 2HB GLU 75 2HB GLU 75 -21.449 -2.488 6.245 588 1HG GLU 75 1HG GLU 75 -19.386 -3.283 8.009 589 2HG GLU 75 2HG GLU 75 -19.702 -1.613 8.437 590 H ALA 76 H ALA 76 -18.487 -0.778 4.359 591 HA ALA 76 HA ALA 76 -20.236 -0.788 2.140 592 1HB ALA 76 1HB ALA 76 -19.132 1.174 1.550 593 2HB ALA 76 2HB ALA 76 -18.813 1.112 3.300 594 3HB ALA 76 3HB ALA 76 -17.559 0.595 2.148 595 H VAL 77 H VAL 77 -17.029 -2.186 2.848 596 HA VAL 77 HA VAL 77 -16.251 -2.698 0.222 597 HB VAL 77 HB VAL 77 -15.205 -3.002 2.727 598 1HG1 VAL 77 1HG1 VAL 77 -15.294 -5.818 1.642 599 2HG1 VAL 77 2HG1 VAL 77 -14.794 -5.250 3.253 600 3HG1 VAL 77 3HG1 VAL 77 -16.514 -5.228 2.795 601 1HG2 VAL 77 1HG2 VAL 77 -13.202 -3.442 1.642 602 2HG2 VAL 77 2HG2 VAL 77 -13.969 -4.482 0.418 603 3HG2 VAL 77 3HG2 VAL 77 -14.173 -2.715 0.339 604 H ALA 78 H ALA 78 -18.542 -4.310 2.417 605 HA ALA 78 HA ALA 78 -18.695 -6.753 1.069 606 1HB ALA 78 1HB ALA 78 -19.921 -5.426 3.272 607 2HB ALA 78 2HB ALA 78 -21.232 -5.981 2.203 608 3HB ALA 78 3HB ALA 78 -20.037 -7.145 2.826 609 H GLU 79 H GLU 79 -20.274 -3.567 0.561 610 HA GLU 79 HA GLU 79 -22.135 -4.489 -1.290 611 1HB GLU 79 1HB GLU 79 -21.069 -1.861 -0.383 612 2HB GLU 79 2HB GLU 79 -21.733 -1.859 -2.005 613 1HG GLU 79 1HG GLU 79 -23.339 -3.254 0.122 614 2HG GLU 79 2HG GLU 79 -23.270 -1.505 0.200 615 H TYR 80 H TYR 80 -18.779 -3.208 -1.604 616 HA TYR 80 HA TYR 80 -18.742 -3.059 -4.395 617 1HB TYR 80 1HB TYR 80 -17.109 -2.103 -2.666 618 2HB TYR 80 2HB TYR 80 -16.573 -3.733 -2.309 619 HD1 TYR 80 HD1 TYR 80 -16.999 -1.527 -5.325 620 HD2 TYR 80 HD2 TYR 80 -14.589 -4.416 -3.288 621 HE1 TYR 80 HE1 TYR 80 -15.237 -1.353 -7.150 622 HE2 TYR 80 HE2 TYR 80 -12.834 -4.232 -5.119 623 HH TYR 80 HH TYR 80 -12.230 -2.200 -6.835 624 H ILE 81 H ILE 81 -17.915 -5.727 -2.101 625 HA ILE 81 HA ILE 81 -17.007 -7.445 -4.168 626 HB ILE 81 HB ILE 81 -17.571 -7.651 -1.250 627 1HG1 ILE 81 1HG1 ILE 81 -15.144 -8.612 -2.752 628 2HG1 ILE 81 2HG1 ILE 81 -15.373 -6.905 -2.428 629 1HG2 ILE 81 1HG2 ILE 81 -17.676 -9.916 -3.176 630 2HG2 ILE 81 2HG2 ILE 81 -16.755 -10.160 -1.672 631 3HG2 ILE 81 3HG2 ILE 81 -18.474 -9.703 -1.599 632 1HD1 ILE 81 1HD1 ILE 81 -15.607 -7.396 0.011 633 2HD1 ILE 81 2HD1 ILE 81 -15.343 -9.123 -0.329 634 3HD1 ILE 81 3HD1 ILE 81 -14.041 -7.948 -0.632 635 H ALA 82 H ALA 82 -20.138 -6.571 -2.802 636 HA ALA 82 HA ALA 82 -21.384 -8.865 -4.106 637 1HB ALA 82 1HB ALA 82 -23.245 -8.432 -2.735 638 2HB ALA 82 2HB ALA 82 -21.866 -8.022 -1.688 639 3HB ALA 82 3HB ALA 82 -22.790 -6.729 -2.490 640 H HIS 83 H HIS 83 -20.100 -6.998 -5.833 641 HA HIS 83 HA HIS 83 -22.435 -5.637 -6.968 642 1HB HIS 83 1HB HIS 83 -20.113 -4.466 -6.140 643 2HB HIS 83 2HB HIS 83 -19.735 -4.779 -7.822 644 HD1 HIS 83 HD1 HIS 83 -20.803 -3.273 -9.580 645 HD2 HIS 83 HD2 HIS 83 -22.415 -2.729 -5.746 646 HE1 HIS 83 HE1 HIS 83 -22.298 -1.210 -9.719 647 HE2 HIS 83 HE2 HIS 83 -23.303 -0.958 -7.348 648 HA PRO 84 HA PRO 84 -21.886 -8.430 -10.251 649 1HB PRO 84 1HB PRO 84 -23.787 -7.441 -11.947 650 2HB PRO 84 2HB PRO 84 -24.155 -8.536 -10.629 651 1HG PRO 84 1HG PRO 84 -24.642 -5.626 -10.813 652 2HG PRO 84 2HG PRO 84 -25.364 -6.793 -9.723 653 1HD PRO 84 1HD PRO 84 -23.304 -4.901 -9.090 654 2HD PRO 84 2HD PRO 84 -23.944 -6.145 -8.035 655 H ALA 85 H ALA 85 -21.759 -4.993 -10.733 656 HA ALA 85 HA ALA 85 -20.728 -5.067 -13.331 657 1HB ALA 85 1HB ALA 85 -21.659 -3.131 -11.766 658 2HB ALA 85 2HB ALA 85 -19.936 -2.938 -11.361 659 3HB ALA 85 3HB ALA 85 -20.476 -2.780 -13.049 660 H HIS 86 H HIS 86 -19.147 -5.056 -10.075 661 HA HIS 86 HA HIS 86 -16.542 -5.024 -11.132 662 1HB HIS 86 1HB HIS 86 -16.545 -4.298 -8.976 663 2HB HIS 86 2HB HIS 86 -17.821 -5.391 -8.479 664 HD1 HIS 86 HD1 HIS 86 -17.073 -7.950 -8.020 665 HD2 HIS 86 HD2 HIS 86 -13.972 -5.153 -8.410 666 HE1 HIS 86 HE1 HIS 86 -14.986 -9.057 -7.056 667 HE2 HIS 86 HE2 HIS 86 -13.103 -7.312 -7.374 668 H VAL 87 H VAL 87 -18.883 -7.596 -10.285 669 HA VAL 87 HA VAL 87 -17.056 -9.725 -10.420 670 HB VAL 87 HB VAL 87 -19.969 -9.306 -10.303 671 1HG1 VAL 87 1HG1 VAL 87 -20.325 -11.808 -10.810 672 2HG1 VAL 87 2HG1 VAL 87 -20.145 -10.697 -12.189 673 3HG1 VAL 87 3HG1 VAL 87 -18.776 -11.715 -11.682 674 1HG2 VAL 87 1HG2 VAL 87 -19.780 -11.142 -8.636 675 2HG2 VAL 87 2HG2 VAL 87 -18.047 -11.278 -9.022 676 3HG2 VAL 87 3HG2 VAL 87 -18.684 -9.780 -8.301 677 H GLU 88 H GLU 88 -19.178 -8.113 -12.855 678 HA GLU 88 HA GLU 88 -18.764 -9.878 -14.901 679 1HB GLU 88 1HB GLU 88 -20.247 -7.668 -14.638 680 2HB GLU 88 2HB GLU 88 -18.904 -6.922 -15.481 681 1HG GLU 88 1HG GLU 88 -20.244 -7.588 -17.282 682 2HG GLU 88 2HG GLU 88 -19.151 -8.952 -17.159 683 H PHE 89 H PHE 89 -16.785 -7.058 -13.831 684 HA PHE 89 HA PHE 89 -14.961 -7.262 -15.985 685 1HB PHE 89 1HB PHE 89 -15.624 -5.484 -13.928 686 2HB PHE 89 2HB PHE 89 -14.117 -6.144 -13.324 687 HD1 PHE 89 HD1 PHE 89 -12.081 -5.298 -14.083 688 HD2 PHE 89 HD2 PHE 89 -15.600 -4.519 -16.323 689 HE1 PHE 89 HE1 PHE 89 -10.798 -3.713 -15.547 690 HE2 PHE 89 HE2 PHE 89 -14.317 -2.934 -17.787 691 HZ PHE 89 HZ PHE 89 -11.932 -2.550 -17.381 692 H ALA 90 H ALA 90 -15.129 -8.581 -12.647 693 HA ALA 90 HA ALA 90 -12.500 -9.450 -12.448 694 1HB ALA 90 1HB ALA 90 -15.135 -10.360 -11.260 695 2HB ALA 90 2HB ALA 90 -13.597 -11.152 -10.841 696 3HB ALA 90 3HB ALA 90 -13.831 -9.423 -10.492 697 H THR 91 H THR 91 -15.437 -11.011 -13.858 698 HA THR 91 HA THR 91 -14.232 -13.478 -14.410 699 HB THR 91 HB THR 91 -16.556 -11.957 -15.704 700 HG1 THR 91 HG1 THR 91 -17.153 -12.478 -13.608 701 1HG2 THR 91 1HG2 THR 91 -15.935 -13.822 -17.187 702 2HG2 THR 91 2HG2 THR 91 -15.745 -14.910 -15.791 703 3HG2 THR 91 3HG2 THR 91 -17.360 -14.310 -16.238 704 H ILE 92 H ILE 92 -14.331 -10.398 -16.249 705 HA ILE 92 HA ILE 92 -13.185 -11.519 -18.575 706 HB ILE 92 HB ILE 92 -13.639 -8.750 -17.522 707 1HG1 ILE 92 1HG1 ILE 92 -14.589 -9.824 -20.155 708 2HG1 ILE 92 2HG1 ILE 92 -15.364 -10.385 -18.687 709 1HG2 ILE 92 1HG2 ILE 92 -11.450 -8.710 -18.656 710 2HG2 ILE 92 2HG2 ILE 92 -12.206 -9.401 -20.112 711 3HG2 ILE 92 3HG2 ILE 92 -12.693 -7.788 -19.536 712 1HD1 ILE 92 1HD1 ILE 92 -15.680 -7.842 -20.046 713 2HD1 ILE 92 2HD1 ILE 92 -16.593 -8.486 -18.660 714 3HD1 ILE 92 3HD1 ILE 92 -15.096 -7.562 -18.388 715 H PHE 93 H PHE 93 -11.862 -9.781 -15.697 716 HA PHE 93 HA PHE 93 -9.230 -9.697 -16.606 717 1HB PHE 93 1HB PHE 93 -10.732 -8.819 -14.444 718 2HB PHE 93 2HB PHE 93 -9.858 -10.134 -13.684 719 HD1 PHE 93 HD1 PHE 93 -7.419 -9.563 -15.718 720 HD2 PHE 93 HD2 PHE 93 -9.592 -7.281 -12.875 721 HE1 PHE 93 HE1 PHE 93 -5.432 -8.061 -15.404 722 HE2 PHE 93 HE2 PHE 93 -7.605 -5.780 -12.561 723 HZ PHE 93 HZ PHE 93 -5.549 -6.188 -13.829 724 H LEU 94 H LEU 94 -11.123 -12.231 -14.921 725 HA LEU 94 HA LEU 94 -9.023 -13.818 -14.073 726 1HB LEU 94 1HB LEU 94 -11.903 -14.178 -14.670 727 2HB LEU 94 2HB LEU 94 -10.932 -15.636 -14.617 728 HG LEU 94 HG LEU 94 -10.623 -13.724 -12.350 729 1HD1 LEU 94 1HD1 LEU 94 -12.669 -15.121 -11.349 730 2HD1 LEU 94 2HD1 LEU 94 -12.879 -13.555 -12.168 731 3HD1 LEU 94 3HD1 LEU 94 -13.183 -15.069 -13.052 732 1HD2 LEU 94 1HD2 LEU 94 -10.719 -16.021 -11.142 733 2HD2 LEU 94 2HD2 LEU 94 -10.511 -16.697 -12.776 734 3HD2 LEU 94 3HD2 LEU 94 -9.283 -15.597 -12.105 735 H GLY 95 H GLY 95 -10.294 -13.181 -17.298 736 1HA GLY 95 1HA GLY 95 -9.453 -15.478 -18.640 737 2HA GLY 95 2HA GLY 95 -9.647 -13.880 -19.332 738 H SER 96 H SER 96 -7.634 -12.768 -17.262 739 HA SER 96 HA SER 96 -5.221 -14.093 -18.059 740 1HB SER 96 1HB SER 96 -6.176 -11.861 -19.556 741 2HB SER 96 2HB SER 96 -4.852 -11.256 -18.580 742 HG SER 96 HG SER 96 -3.821 -13.458 -19.439 743 H LEU 97 H LEU 97 -5.855 -14.268 -15.565 744 HA LEU 97 HA LEU 97 -4.653 -11.953 -14.212 745 1HB LEU 97 1HB LEU 97 -7.106 -12.387 -13.811 746 2HB LEU 97 2HB LEU 97 -6.645 -13.892 -13.041 747 HG LEU 97 HG LEU 97 -5.093 -11.804 -11.858 748 1HD1 LEU 97 1HD1 LEU 97 -6.447 -10.067 -11.439 749 2HD1 LEU 97 2HD1 LEU 97 -7.344 -10.634 -12.867 750 3HD1 LEU 97 3HD1 LEU 97 -7.883 -11.099 -11.236 751 1HD2 LEU 97 1HD2 LEU 97 -6.924 -12.548 -9.964 752 2HD2 LEU 97 2HD2 LEU 97 -6.953 -13.940 -11.072 753 3HD2 LEU 97 3HD2 LEU 97 -5.417 -13.417 -10.340 754 H ASP 98 H ASP 98 -2.851 -12.309 -12.978 755 HA ASP 98 HA ASP 98 -1.828 -14.997 -13.091 756 1HB ASP 98 1HB ASP 98 -0.641 -12.547 -13.422 757 2HB ASP 98 2HB ASP 98 -0.301 -12.810 -11.723 758 H LYS 99 H LYS 99 -1.829 -12.314 -10.610 759 HA LYS 99 HA LYS 99 -2.775 -14.236 -8.627 760 1HB LYS 99 1HB LYS 99 -0.253 -12.574 -8.376 761 2HB LYS 99 2HB LYS 99 -1.052 -13.344 -7.019 762 1HG LYS 99 1HG LYS 99 -0.867 -15.563 -8.271 763 2HG LYS 99 2HG LYS 99 0.102 -14.740 -9.477 764 1HD LYS 99 1HD LYS 99 0.762 -15.115 -6.524 765 2HD LYS 99 2HD LYS 99 1.622 -15.787 -7.894 766 1HE LYS 99 1HE LYS 99 1.685 -13.058 -8.455 767 2HE LYS 99 2HE LYS 99 1.799 -13.073 -6.706 768 1HZ LYS 99 1HZ LYS 99 3.732 -14.275 -6.784 769 2HZ LYS 99 2HZ LYS 99 3.465 -14.879 -8.277 770 3HZ LYS 99 3HZ LYS 99 3.907 -13.317 -8.095 771 H VAL 100 H VAL 100 -3.677 -13.152 -6.683 772 HA VAL 100 HA VAL 100 -4.138 -10.316 -6.922 773 HB VAL 100 HB VAL 100 -6.658 -10.762 -6.712 774 1HG1 VAL 100 1HG1 VAL 100 -5.396 -11.340 -9.409 775 2HG1 VAL 100 2HG1 VAL 100 -6.965 -10.566 -9.081 776 3HG1 VAL 100 3HG1 VAL 100 -5.453 -9.724 -8.665 777 1HG2 VAL 100 1HG2 VAL 100 -5.716 -13.415 -7.830 778 2HG2 VAL 100 2HG2 VAL 100 -6.729 -13.121 -6.396 779 3HG2 VAL 100 3HG2 VAL 100 -7.378 -12.811 -8.024 780 H LEU 101 H LEU 101 -3.746 -9.588 -4.902 781 HA LEU 101 HA LEU 101 -4.719 -11.256 -2.692 782 1HB LEU 101 1HB LEU 101 -2.024 -9.988 -3.078 783 2HB LEU 101 2HB LEU 101 -2.657 -10.277 -1.470 784 HG LEU 101 HG LEU 101 -1.298 -12.124 -1.914 785 1HD1 LEU 101 1HD1 LEU 101 -2.705 -13.854 -1.491 786 2HD1 LEU 101 2HD1 LEU 101 -3.870 -12.521 -1.307 787 3HD1 LEU 101 3HD1 LEU 101 -3.804 -13.442 -2.828 788 1HD2 LEU 101 1HD2 LEU 101 -2.030 -11.640 -4.664 789 2HD2 LEU 101 2HD2 LEU 101 -0.647 -12.539 -3.994 790 3HD2 LEU 101 3HD2 LEU 101 -2.199 -13.367 -4.266 791 H VAL 102 H VAL 102 -5.948 -10.193 -1.196 792 HA VAL 102 HA VAL 102 -6.244 -7.314 -1.640 793 HB VAL 102 HB VAL 102 -8.036 -9.357 -0.314 794 1HG1 VAL 102 1HG1 VAL 102 -8.335 -6.367 -0.688 795 2HG1 VAL 102 2HG1 VAL 102 -9.722 -7.446 -0.405 796 3HG1 VAL 102 3HG1 VAL 102 -8.435 -7.312 0.817 797 1HG2 VAL 102 1HG2 VAL 102 -9.034 -7.891 -2.657 798 2HG2 VAL 102 2HG2 VAL 102 -7.631 -8.929 -3.008 799 3HG2 VAL 102 3HG2 VAL 102 -9.095 -9.629 -2.277 800 H ILE 103 H ILE 103 -5.600 -5.861 -0.112 801 HA ILE 103 HA ILE 103 -5.184 -6.840 2.598 802 HB ILE 103 HB ILE 103 -3.044 -5.422 1.007 803 1HG1 ILE 103 1HG1 ILE 103 -3.351 -7.790 0.342 804 2HG1 ILE 103 2HG1 ILE 103 -1.790 -7.469 1.071 805 1HG2 ILE 103 1HG2 ILE 103 -3.199 -6.312 3.891 806 2HG2 ILE 103 2HG2 ILE 103 -1.666 -5.952 3.063 807 3HG2 ILE 103 3HG2 ILE 103 -2.897 -4.680 3.249 808 1HD1 ILE 103 1HD1 ILE 103 -2.185 -8.935 2.756 809 2HD1 ILE 103 2HD1 ILE 103 -3.757 -8.185 3.119 810 3HD1 ILE 103 3HD1 ILE 103 -3.639 -9.441 1.864 811 H ASP 104 H ASP 104 -5.471 -5.236 4.190 812 HA ASP 104 HA ASP 104 -6.599 -2.795 3.087 813 1HB ASP 104 1HB ASP 104 -7.399 -4.611 5.178 814 2HB ASP 104 2HB ASP 104 -7.030 -3.075 5.936 815 H TYR 105 H TYR 105 -5.633 -0.795 3.640 816 HA TYR 105 HA TYR 105 -3.501 -0.899 5.665 817 1HB TYR 105 1HB TYR 105 -2.228 -0.598 3.707 818 2HB TYR 105 2HB TYR 105 -3.630 -0.111 2.775 819 HD1 TYR 105 HD1 TYR 105 -3.479 2.008 1.865 820 HD2 TYR 105 HD2 TYR 105 -1.698 1.286 5.687 821 HE1 TYR 105 HE1 TYR 105 -2.698 4.426 1.966 822 HE2 TYR 105 HE2 TYR 105 -0.923 3.706 5.775 823 HH TYR 105 HH TYR 105 -0.621 5.592 3.274 824 H LYS 106 H LYS 106 -3.962 0.422 7.346 825 HA LYS 106 HA LYS 106 -5.490 2.854 6.723 826 1HB LYS 106 1HB LYS 106 -6.964 1.358 7.878 827 2HB LYS 106 2HB LYS 106 -5.750 0.975 9.082 828 1HG LYS 106 1HG LYS 106 -5.772 3.625 9.482 829 2HG LYS 106 2HG LYS 106 -7.361 3.510 8.750 830 1HD LYS 106 1HD LYS 106 -7.799 3.236 11.065 831 2HD LYS 106 2HD LYS 106 -7.827 1.596 10.449 832 1HE LYS 106 1HE LYS 106 -5.197 1.712 11.041 833 2HE LYS 106 2HE LYS 106 -5.742 2.948 12.156 834 1HZ LYS 106 1HZ LYS 106 -7.505 1.148 12.713 835 2HZ LYS 106 2HZ LYS 106 -6.380 0.121 12.124 836 3HZ LYS 106 3HZ LYS 106 -6.020 1.089 13.389 837 HA PRO 107 HA PRO 107 -2.053 4.829 8.461 838 1HB PRO 107 1HB PRO 107 -3.049 7.367 8.640 839 2HB PRO 107 2HB PRO 107 -2.392 6.698 7.160 840 1HG PRO 107 1HG PRO 107 -5.219 7.158 7.891 841 2HG PRO 107 2HG PRO 107 -4.524 6.901 6.303 842 1HD PRO 107 1HD PRO 107 -5.982 4.990 7.868 843 2HD PRO 107 2HD PRO 107 -5.187 4.700 6.333 844 H THR 108 H THR 108 -1.578 3.963 10.419 845 HA THR 108 HA THR 108 -3.165 5.126 12.613 846 HB THR 108 HB THR 108 -3.318 2.592 12.142 847 HG1 THR 108 HG1 THR 108 -3.655 3.718 14.253 848 1HG2 THR 108 1HG2 THR 108 -1.486 1.190 12.607 849 2HG2 THR 108 2HG2 THR 108 -0.652 2.548 11.815 850 3HG2 THR 108 3HG2 THR 108 -0.666 2.426 13.590 851 H SER 109 H SER 109 -2.047 6.927 13.198 852 HA SER 109 HA SER 109 0.807 6.777 13.301 853 1HB SER 109 1HB SER 109 -1.237 8.863 13.267 854 2HB SER 109 2HB SER 109 -0.073 9.174 14.539 855 HG SER 109 HG SER 109 1.477 9.573 13.087 856 H VAL 110 H VAL 110 2.085 7.042 15.260 857 HA VAL 110 HA VAL 110 0.589 6.261 17.664 858 HB VAL 110 HB VAL 110 3.406 5.698 16.736 859 1HG1 VAL 110 1HG1 VAL 110 3.757 6.110 19.012 860 2HG1 VAL 110 2HG1 VAL 110 2.178 5.435 19.480 861 3HG1 VAL 110 3HG1 VAL 110 3.487 4.352 18.949 862 1HG2 VAL 110 1HG2 VAL 110 2.583 3.307 17.204 863 2HG2 VAL 110 2HG2 VAL 110 0.949 4.011 17.240 864 3HG2 VAL 110 3HG2 VAL 110 1.939 4.135 15.766 865 H SER 111 H SER 111 0.976 7.366 19.626 866 HA SER 111 HA SER 111 1.684 10.058 19.266 867 1HB SER 111 1HB SER 111 1.684 9.391 22.056 868 2HB SER 111 2HB SER 111 0.446 10.231 21.144 869 HG SER 111 HG SER 111 0.618 7.483 21.866 870 H LEU 112 H LEU 112 3.706 10.971 19.335 871 HA LEU 112 HA LEU 112 5.879 9.301 20.323 872 1HB LEU 112 1HB LEU 112 6.067 11.921 18.845 873 2HB LEU 112 2HB LEU 112 7.328 10.729 19.090 874 HG LEU 112 HG LEU 112 4.839 9.989 17.570 875 1HD1 LEU 112 1HD1 LEU 112 5.640 12.094 16.580 876 2HD1 LEU 112 2HD1 LEU 112 7.252 11.370 16.364 877 3HD1 LEU 112 3HD1 LEU 112 5.854 10.708 15.484 878 1HD2 LEU 112 1HD2 LEU 112 6.065 8.077 17.884 879 2HD2 LEU 112 2HD2 LEU 112 6.745 8.650 16.342 880 3HD2 LEU 112 3HD2 LEU 112 7.625 8.934 17.863 881 1H GLY 1 1H GLY 1 18.849 25.563 10.298 882 1HA GLY 1 1HA GLY 1 16.284 25.355 10.159 883 2HA GLY 1 2HA GLY 1 16.346 27.106 10.163 884 H SER 2 H SER 2 17.093 24.148 8.343 885 HA SER 2 HA SER 2 18.315 25.536 6.201 886 1HB SER 2 1HB SER 2 18.018 23.292 5.020 887 2HB SER 2 2HB SER 2 18.946 23.248 6.505 888 HG SER 2 HG SER 2 16.131 22.594 6.271 889 H HIS 3 H HIS 3 15.030 24.655 7.174 890 HA HIS 3 HA HIS 3 13.057 25.108 6.330 891 1HB HIS 3 1HB HIS 3 14.738 27.124 4.885 892 2HB HIS 3 2HB HIS 3 13.075 26.904 4.378 893 HD1 HIS 3 HD1 HIS 3 13.642 29.600 5.485 894 HD2 HIS 3 HD2 HIS 3 12.633 26.375 7.970 895 HE1 HIS 3 HE1 HIS 3 12.755 30.617 7.650 896 H MET 4 H MET 4 14.918 25.523 3.250 897 HA MET 4 HA MET 4 14.997 24.332 1.427 898 1HB MET 4 1HB MET 4 14.768 22.362 3.466 899 2HB MET 4 2HB MET 4 13.566 21.891 2.281 900 1HG MET 4 1HG MET 4 15.346 20.859 1.255 901 2HG MET 4 2HG MET 4 15.653 22.456 0.602 902 1HE MET 4 1HE MET 4 19.093 20.703 1.768 903 2HE MET 4 2HE MET 4 17.610 19.991 1.090 904 3HE MET 4 3HE MET 4 18.308 21.456 0.360 905 H GLU 5 H GLU 5 13.489 23.083 -0.241 906 HA GLU 5 HA GLU 5 11.373 24.665 -0.779 907 1HB GLU 5 1HB GLU 5 12.554 22.335 -1.875 908 2HB GLU 5 2HB GLU 5 10.856 21.940 -1.701 909 1HG GLU 5 1HG GLU 5 10.168 23.813 -3.050 910 2HG GLU 5 2HG GLU 5 11.743 24.573 -2.943 911 H GLU 6 H GLU 6 9.054 24.493 -0.553 912 HA GLU 6 HA GLU 6 8.340 22.898 1.774 913 1HB GLU 6 1HB GLU 6 6.309 24.511 1.794 914 2HB GLU 6 2HB GLU 6 7.868 25.161 2.261 915 1HG GLU 6 1HG GLU 6 8.192 26.205 0.099 916 2HG GLU 6 2HG GLU 6 6.855 25.320 -0.608 917 H ALA 7 H ALA 7 7.017 21.147 1.508 918 HA ALA 7 HA ALA 7 5.712 19.651 0.530 919 1HB ALA 7 1HB ALA 7 3.804 20.909 0.739 920 2HB ALA 7 2HB ALA 7 4.481 22.285 -0.165 921 3HB ALA 7 3HB ALA 7 3.878 20.855 -1.038 922 H LYS 8 H LYS 8 5.004 18.678 -1.659 923 HA LYS 8 HA LYS 8 6.296 19.667 -3.986 924 1HB LYS 8 1HB LYS 8 8.086 18.448 -2.391 925 2HB LYS 8 2HB LYS 8 7.453 17.034 -3.207 926 1HG LYS 8 1HG LYS 8 8.039 17.891 -5.383 927 2HG LYS 8 2HG LYS 8 8.303 19.508 -4.762 928 1HD LYS 8 1HD LYS 8 10.417 19.018 -3.978 929 2HD LYS 8 2HD LYS 8 9.974 17.398 -3.476 930 1HE LYS 8 1HE LYS 8 11.243 16.774 -5.289 931 2HE LYS 8 2HE LYS 8 9.765 17.081 -6.177 932 1HZ LYS 8 1HZ LYS 8 12.107 18.300 -6.612 933 2HZ LYS 8 2HZ LYS 8 10.658 18.860 -7.118 934 3HZ LYS 8 3HZ LYS 8 11.315 19.427 -5.735 935 H GLY 9 H GLY 9 5.383 16.464 -2.519 936 1HA GLY 9 1HA GLY 9 3.899 15.781 -4.911 937 2HA GLY 9 2HA GLY 9 4.162 14.791 -3.489 938 HA PRO 10 HA PRO 10 3.991 15.023 -1.473 939 1HB PRO 10 1HB PRO 10 2.576 13.549 0.340 940 2HB PRO 10 2HB PRO 10 3.113 15.188 0.649 941 1HG PRO 10 1HG PRO 10 0.395 14.218 0.008 942 2HG PRO 10 2HG PRO 10 0.876 15.743 0.725 943 1HD PRO 10 1HD PRO 10 0.059 15.305 -1.989 944 2HD PRO 10 2HD PRO 10 0.650 16.804 -1.302 945 H VAL 11 H VAL 11 4.997 12.945 -1.405 946 HA VAL 11 HA VAL 11 3.708 11.227 -3.390 947 HB VAL 11 HB VAL 11 6.512 11.762 -2.511 948 1HG1 VAL 11 1HG1 VAL 11 5.462 9.127 -3.510 949 2HG1 VAL 11 2HG1 VAL 11 7.090 9.671 -3.980 950 3HG1 VAL 11 3HG1 VAL 11 6.683 9.463 -2.260 951 1HG2 VAL 11 1HG2 VAL 11 5.498 11.190 -5.297 952 2HG2 VAL 11 2HG2 VAL 11 5.292 12.789 -4.543 953 3HG2 VAL 11 3HG2 VAL 11 6.925 12.126 -4.790 954 H LYS 12 H LYS 12 3.171 9.083 -2.951 955 HA LYS 12 HA LYS 12 3.321 8.386 -0.106 956 1HB LYS 12 1HB LYS 12 1.257 8.073 -2.203 957 2HB LYS 12 2HB LYS 12 1.488 6.669 -1.181 958 1HG LYS 12 1HG LYS 12 0.391 7.680 0.525 959 2HG LYS 12 2HG LYS 12 1.530 9.012 0.509 960 1HD LYS 12 1HD LYS 12 -0.146 10.342 -0.244 961 2HD LYS 12 2HD LYS 12 -0.082 9.470 -1.762 962 1HE LYS 12 1HE LYS 12 -1.566 7.710 -0.255 963 2HE LYS 12 2HE LYS 12 -2.038 9.226 0.486 964 1HZ LYS 12 1HZ LYS 12 -3.227 8.352 -1.620 965 2HZ LYS 12 2HZ LYS 12 -2.965 9.953 -1.435 966 3HZ LYS 12 3HZ LYS 12 -1.995 9.075 -2.412 967 H HIS 13 H HIS 13 4.382 6.550 0.554 968 HA HIS 13 HA HIS 13 5.565 4.970 -1.612 969 1HB HIS 13 1HB HIS 13 7.203 6.336 -0.384 970 2HB HIS 13 2HB HIS 13 6.704 5.599 1.126 971 HD1 HIS 13 HD1 HIS 13 9.019 5.165 -1.690 972 HD2 HIS 13 HD2 HIS 13 7.305 2.710 1.248 973 HE1 HIS 13 HE1 HIS 13 10.423 3.036 -1.630 974 HE2 HIS 13 HE2 HIS 13 9.355 1.589 0.230 975 H VAL 14 H VAL 14 4.940 2.870 -1.715 976 HA VAL 14 HA VAL 14 3.585 1.801 0.659 977 HB VAL 14 HB VAL 14 3.375 0.878 -2.210 978 1HG1 VAL 14 1HG1 VAL 14 2.171 0.050 0.373 979 2HG1 VAL 14 2HG1 VAL 14 1.053 0.162 -1.007 980 3HG1 VAL 14 3HG1 VAL 14 2.485 -0.890 -1.106 981 1HG2 VAL 14 1HG2 VAL 14 1.951 2.529 -2.690 982 2HG2 VAL 14 2HG2 VAL 14 1.015 2.231 -1.206 983 3HG2 VAL 14 3HG2 VAL 14 2.430 3.310 -1.164 984 H LEU 15 H LEU 15 4.688 0.322 1.826 985 HA LEU 15 HA LEU 15 6.570 -1.385 0.370 986 1HB LEU 15 1HB LEU 15 7.898 0.359 1.349 987 2HB LEU 15 2HB LEU 15 7.112 0.164 2.903 988 HG LEU 15 HG LEU 15 8.730 -2.044 1.617 989 1HD1 LEU 15 1HD1 LEU 15 10.473 -0.624 1.842 990 2HD1 LEU 15 2HD1 LEU 15 9.643 0.390 3.046 991 3HD1 LEU 15 3HD1 LEU 15 10.386 -1.150 3.540 992 1HD2 LEU 15 1HD2 LEU 15 8.020 -3.256 3.331 993 2HD2 LEU 15 2HD2 LEU 15 8.791 -2.108 4.452 994 3HD2 LEU 15 3HD2 LEU 15 7.097 -1.871 3.961 995 H LEU 16 H LEU 16 6.546 -3.535 0.990 996 HA LEU 16 HA LEU 16 4.869 -4.166 3.311 997 1HB LEU 16 1HB LEU 16 3.679 -5.808 2.162 998 2HB LEU 16 2HB LEU 16 3.643 -4.389 1.134 999 HG LEU 16 HG LEU 16 5.863 -5.767 0.202 1000 1HD1 LEU 16 1HD1 LEU 16 4.659 -8.064 -0.261 1001 2HD1 LEU 16 2HD1 LEU 16 5.617 -7.807 1.217 1002 3HD1 LEU 16 3HD1 LEU 16 3.842 -7.695 1.276 1003 1HD2 LEU 16 1HD2 LEU 16 4.630 -4.879 -1.473 1004 2HD2 LEU 16 2HD2 LEU 16 3.989 -6.537 -1.564 1005 3HD2 LEU 16 3HD2 LEU 16 3.077 -5.277 -0.698 1006 H ALA 17 H ALA 17 5.720 -5.687 4.681 1007 HA ALA 17 HA ALA 17 7.973 -7.260 3.684 1008 1HB ALA 17 1HB ALA 17 8.345 -4.964 5.187 1009 2HB ALA 17 2HB ALA 17 8.329 -6.242 6.426 1010 3HB ALA 17 3HB ALA 17 9.489 -6.323 5.078 1011 H SER 18 H SER 18 8.123 -9.324 4.620 1012 HA SER 18 HA SER 18 6.035 -9.886 6.576 1013 1HB SER 18 1HB SER 18 6.951 -11.851 4.443 1014 2HB SER 18 2HB SER 18 5.562 -11.996 5.500 1015 HG SER 18 HG SER 18 4.394 -10.865 4.112 1016 H PHE 19 H PHE 19 6.876 -10.667 8.475 1017 HA PHE 19 HA PHE 19 9.647 -11.280 8.624 1018 1HB PHE 19 1HB PHE 19 7.245 -11.557 10.527 1019 2HB PHE 19 2HB PHE 19 8.901 -11.797 11.044 1020 HD1 PHE 19 HD1 PHE 19 6.297 -9.445 10.685 1021 HD2 PHE 19 HD2 PHE 19 10.526 -9.792 10.626 1022 HE1 PHE 19 HE1 PHE 19 6.504 -6.989 11.157 1023 HE2 PHE 19 HE2 PHE 19 10.733 -7.335 11.098 1024 HZ PHE 19 HZ PHE 19 8.720 -5.963 11.357 1025 H LYS 20 H LYS 20 10.542 -13.197 8.041 1026 HA LYS 20 HA LYS 20 9.031 -15.467 7.479 1027 1HB LYS 20 1HB LYS 20 11.194 -16.591 7.270 1028 2HB LYS 20 2HB LYS 20 11.205 -15.028 6.477 1029 1HG LYS 20 1HG LYS 20 13.021 -14.465 7.709 1030 2HG LYS 20 2HG LYS 20 12.014 -14.491 9.143 1031 1HD LYS 20 1HD LYS 20 13.728 -16.031 9.675 1032 2HD LYS 20 2HD LYS 20 12.415 -17.071 9.160 1033 1HE LYS 20 1HE LYS 20 13.414 -17.496 7.033 1034 2HE LYS 20 2HE LYS 20 14.465 -16.097 7.141 1035 1HZ LYS 20 1HZ LYS 20 15.498 -18.302 7.604 1036 2HZ LYS 20 2HZ LYS 20 15.769 -17.159 8.739 1037 3HZ LYS 20 3HZ LYS 20 14.676 -18.340 9.015 1038 H ASP 21 H ASP 21 9.556 -17.691 8.597 1039 HA ASP 21 HA ASP 21 8.704 -17.331 11.294 1040 1HB ASP 21 1HB ASP 21 8.760 -19.479 9.276 1041 2HB ASP 21 2HB ASP 21 9.212 -20.072 10.862 1042 H GLY 22 H GLY 22 10.320 -16.918 12.822 1043 1HA GLY 22 1HA GLY 22 12.175 -18.656 13.703 1044 2HA GLY 22 2HA GLY 22 13.024 -17.859 12.394 1045 H VAL 23 H VAL 23 11.466 -15.283 12.769 1046 HA VAL 23 HA VAL 23 13.211 -14.183 14.755 1047 HB VAL 23 HB VAL 23 12.571 -13.150 12.545 1048 1HG1 VAL 23 1HG1 VAL 23 10.494 -12.118 12.210 1049 2HG1 VAL 23 2HG1 VAL 23 10.072 -13.684 12.944 1050 3HG1 VAL 23 3HG1 VAL 23 10.063 -12.206 13.935 1051 1HG2 VAL 23 1HG2 VAL 23 13.292 -12.005 14.935 1052 2HG2 VAL 23 2HG2 VAL 23 13.215 -11.158 13.372 1053 3HG2 VAL 23 3HG2 VAL 23 11.841 -11.071 14.500 1054 H SER 24 H SER 24 12.728 -13.570 16.839 1055 HA SER 24 HA SER 24 10.538 -14.761 18.042 1056 1HB SER 24 1HB SER 24 12.671 -12.819 18.855 1057 2HB SER 24 2HB SER 24 11.256 -12.895 19.886 1058 HG SER 24 HG SER 24 11.796 -14.877 20.564 1059 HA PRO 25 HA PRO 25 7.440 -11.733 17.628 1060 1HB PRO 25 1HB PRO 25 5.949 -12.076 19.892 1061 2HB PRO 25 2HB PRO 25 5.826 -13.127 18.495 1062 1HG PRO 25 1HG PRO 25 7.133 -13.646 21.095 1063 2HG PRO 25 2HG PRO 25 6.630 -14.795 19.871 1064 1HD PRO 25 1HD PRO 25 9.306 -13.902 20.391 1065 2HD PRO 25 2HD PRO 25 8.787 -14.959 19.093 1066 H GLU 26 H GLU 26 9.132 -11.673 20.682 1067 HA GLU 26 HA GLU 26 8.267 -9.140 21.406 1068 1HB GLU 26 1HB GLU 26 9.906 -11.137 22.491 1069 2HB GLU 26 2HB GLU 26 11.006 -9.791 22.275 1070 1HG GLU 26 1HG GLU 26 10.170 -9.149 24.322 1071 2HG GLU 26 2HG GLU 26 8.911 -8.429 23.338 1072 H LYS 27 H LYS 27 10.798 -10.286 19.188 1073 HA LYS 27 HA LYS 27 12.281 -7.914 19.058 1074 1HB LYS 27 1HB LYS 27 12.793 -10.331 18.218 1075 2HB LYS 27 2HB LYS 27 11.978 -9.826 16.751 1076 1HG LYS 27 1HG LYS 27 13.705 -8.468 16.111 1077 2HG LYS 27 2HG LYS 27 13.908 -7.808 17.722 1078 1HD LYS 27 1HD LYS 27 14.833 -10.619 16.988 1079 2HD LYS 27 2HD LYS 27 15.864 -9.216 16.793 1080 1HE LYS 27 1HE LYS 27 15.970 -8.800 19.131 1081 2HE LYS 27 2HE LYS 27 14.510 -9.710 19.461 1082 1HZ LYS 27 1HZ LYS 27 16.926 -10.990 18.407 1083 2HZ LYS 27 2HZ LYS 27 16.659 -10.818 20.009 1084 3HZ LYS 27 3HZ LYS 27 15.633 -11.707 19.102 1085 H ILE 28 H ILE 28 9.278 -9.025 17.466 1086 HA ILE 28 HA ILE 28 9.224 -6.952 15.551 1087 HB ILE 28 HB ILE 28 7.026 -8.686 16.684 1088 1HG1 ILE 28 1HG1 ILE 28 8.231 -9.124 13.988 1089 2HG1 ILE 28 2HG1 ILE 28 9.179 -9.603 15.381 1090 1HG2 ILE 28 1HG2 ILE 28 6.957 -6.450 14.826 1091 2HG2 ILE 28 2HG2 ILE 28 6.361 -7.954 14.083 1092 3HG2 ILE 28 3HG2 ILE 28 5.624 -7.351 15.587 1093 1HD1 ILE 28 1HD1 ILE 28 6.830 -10.890 14.231 1094 2HD1 ILE 28 2HD1 ILE 28 7.952 -11.505 15.468 1095 3HD1 ILE 28 3HD1 ILE 28 6.555 -10.512 15.949 1096 H GLU 29 H GLU 29 8.323 -7.227 18.968 1097 HA GLU 29 HA GLU 29 6.610 -5.029 19.012 1098 1HB GLU 29 1HB GLU 29 7.734 -6.913 20.884 1099 2HB GLU 29 2HB GLU 29 7.950 -5.304 21.544 1100 1HG GLU 29 1HG GLU 29 5.386 -5.046 20.687 1101 2HG GLU 29 2HG GLU 29 5.406 -6.782 20.928 1102 H GLU 30 H GLU 30 10.143 -5.395 19.749 1103 HA GLU 30 HA GLU 30 10.457 -2.667 20.331 1104 1HB GLU 30 1HB GLU 30 12.686 -3.198 20.739 1105 2HB GLU 30 2HB GLU 30 11.938 -4.770 20.939 1106 1HG GLU 30 1HG GLU 30 12.493 -5.340 18.568 1107 2HG GLU 30 2HG GLU 30 13.233 -3.765 18.360 1108 H LEU 31 H LEU 31 10.350 -4.566 17.375 1109 HA LEU 31 HA LEU 31 11.850 -2.793 15.764 1110 1HB LEU 31 1HB LEU 31 10.392 -5.264 15.496 1111 2HB LEU 31 2HB LEU 31 9.989 -4.183 14.177 1112 HG LEU 31 HG LEU 31 12.879 -4.566 14.860 1113 1HD1 LEU 31 1HD1 LEU 31 11.094 -6.737 14.139 1114 2HD1 LEU 31 2HD1 LEU 31 12.354 -6.489 12.907 1115 3HD1 LEU 31 3HD1 LEU 31 12.812 -6.772 14.603 1116 1HD2 LEU 31 1HD2 LEU 31 12.924 -4.503 12.268 1117 2HD2 LEU 31 2HD2 LEU 31 11.261 -3.889 12.418 1118 3HD2 LEU 31 3HD2 LEU 31 12.608 -3.002 13.170 1119 H ILE 32 H ILE 32 8.338 -3.174 16.515 1120 HA ILE 32 HA ILE 32 7.631 -0.997 14.805 1121 HB ILE 32 HB ILE 32 6.144 -2.648 16.838 1122 1HG1 ILE 32 1HG1 ILE 32 5.680 -2.506 13.861 1123 2HG1 ILE 32 2HG1 ILE 32 6.911 -3.554 14.537 1124 1HG2 ILE 32 1HG2 ILE 32 4.128 -1.470 15.587 1125 2HG2 ILE 32 2HG2 ILE 32 4.878 -0.760 17.037 1126 3HG2 ILE 32 3HG2 ILE 32 5.316 -0.154 15.421 1127 1HD1 ILE 32 1HD1 ILE 32 4.233 -3.685 15.864 1128 2HD1 ILE 32 2HD1 ILE 32 4.324 -4.326 14.206 1129 3HD1 ILE 32 3HD1 ILE 32 5.376 -4.993 15.477 1130 H LYS 33 H LYS 33 8.013 -1.519 18.364 1131 HA LYS 33 HA LYS 33 7.249 1.074 19.083 1132 1HB LYS 33 1HB LYS 33 8.670 -1.209 20.385 1133 2HB LYS 33 2HB LYS 33 8.814 0.368 21.135 1134 1HG LYS 33 1HG LYS 33 6.087 -0.654 20.282 1135 2HG LYS 33 2HG LYS 33 6.794 -1.209 21.786 1136 1HD LYS 33 1HD LYS 33 6.201 1.683 21.009 1137 2HD LYS 33 2HD LYS 33 5.381 0.742 22.239 1138 1HE LYS 33 1HE LYS 33 7.825 0.490 23.271 1139 2HE LYS 33 2HE LYS 33 8.177 1.904 22.297 1140 1HZ LYS 33 1HZ LYS 33 7.431 2.781 24.257 1141 2HZ LYS 33 2HZ LYS 33 6.060 2.813 23.370 1142 3HZ LYS 33 3HZ LYS 33 6.279 1.648 24.493 1143 H GLY 34 H GLY 34 10.432 -0.392 18.233 1144 1HA GLY 34 1HA GLY 34 12.028 1.823 18.851 1145 2HA GLY 34 2HA GLY 34 12.405 0.547 17.710 1146 H TYR 35 H TYR 35 10.037 0.998 15.975 1147 HA TYR 35 HA TYR 35 11.152 2.840 14.209 1148 1HB TYR 35 1HB TYR 35 9.052 0.927 14.405 1149 2HB TYR 35 2HB TYR 35 8.197 2.430 14.125 1150 HD1 TYR 35 HD1 TYR 35 9.615 3.930 12.209 1151 HD2 TYR 35 HD2 TYR 35 9.320 -0.329 12.484 1152 HE1 TYR 35 HE1 TYR 35 10.090 3.729 9.719 1153 HE2 TYR 35 HE2 TYR 35 9.796 -0.516 9.993 1154 HH TYR 35 HH TYR 35 9.619 0.805 8.025 1155 H ALA 36 H ALA 36 8.783 3.204 16.854 1156 HA ALA 36 HA ALA 36 7.826 5.731 16.027 1157 1HB ALA 36 1HB ALA 36 6.639 4.179 17.566 1158 2HB ALA 36 2HB ALA 36 7.905 4.448 18.788 1159 3HB ALA 36 3HB ALA 36 6.859 5.795 18.279 1160 H ASN 37 H ASN 37 10.532 4.588 18.101 1161 HA ASN 37 HA ASN 37 11.160 7.194 18.974 1162 1HB ASN 37 1HB ASN 37 11.794 5.143 20.255 1163 2HB ASN 37 2HB ASN 37 12.822 4.619 18.935 1164 1HD2 ASN 37 1HD2 ASN 37 12.518 6.543 21.725 1165 2HD2 ASN 37 2HD2 ASN 37 14.075 7.301 21.724 1166 H LEU 38 H LEU 38 11.950 5.092 16.221 1167 HA LEU 38 HA LEU 38 14.338 6.357 15.440 1168 1HB LEU 38 1HB LEU 38 12.424 4.404 14.324 1169 2HB LEU 38 2HB LEU 38 13.345 5.314 13.143 1170 HG LEU 38 HG LEU 38 14.909 4.136 15.377 1171 1HD1 LEU 38 1HD1 LEU 38 14.765 1.913 14.780 1172 2HD1 LEU 38 2HD1 LEU 38 13.074 2.443 14.615 1173 3HD1 LEU 38 3HD1 LEU 38 14.097 2.272 13.169 1174 1HD2 LEU 38 1HD2 LEU 38 16.022 3.453 12.916 1175 2HD2 LEU 38 2HD2 LEU 38 15.311 5.064 12.654 1176 3HD2 LEU 38 3HD2 LEU 38 16.488 4.812 13.966 1177 H VAL 39 H VAL 39 10.867 6.824 14.542 1178 HA VAL 39 HA VAL 39 11.419 8.864 12.673 1179 HB VAL 39 HB VAL 39 9.387 7.421 12.788 1180 1HG1 VAL 39 1HG1 VAL 39 8.980 8.996 15.305 1181 2HG1 VAL 39 2HG1 VAL 39 7.555 8.546 14.338 1182 3HG1 VAL 39 3HG1 VAL 39 8.644 7.283 14.960 1183 1HG2 VAL 39 1HG2 VAL 39 8.421 8.937 11.464 1184 2HG2 VAL 39 2HG2 VAL 39 8.084 10.012 12.842 1185 3HG2 VAL 39 3HG2 VAL 39 9.651 10.105 12.003 1186 H ASN 40 H ASN 40 11.081 8.732 16.197 1187 HA ASN 40 HA ASN 40 10.469 11.400 16.603 1188 1HB ASN 40 1HB ASN 40 10.320 9.656 18.378 1189 2HB ASN 40 2HB ASN 40 12.059 9.443 18.345 1190 1HD2 ASN 40 1HD2 ASN 40 12.774 10.162 20.212 1191 2HD2 ASN 40 2HD2 ASN 40 12.465 11.714 20.916 1192 H LEU 41 H LEU 41 13.346 9.768 15.501 1193 HA LEU 41 HA LEU 41 15.011 12.075 16.212 1194 1HB LEU 41 1HB LEU 41 15.440 9.209 16.157 1195 2HB LEU 41 2HB LEU 41 16.621 10.043 15.167 1196 HG LEU 41 HG LEU 41 16.594 11.567 17.476 1197 1HD1 LEU 41 1HD1 LEU 41 15.942 8.719 18.144 1198 2HD1 LEU 41 2HD1 LEU 41 17.033 9.645 19.203 1199 3HD1 LEU 41 3HD1 LEU 41 15.380 10.230 18.899 1200 1HD2 LEU 41 1HD2 LEU 41 18.729 11.269 16.924 1201 2HD2 LEU 41 2HD2 LEU 41 18.664 9.748 17.846 1202 3HD2 LEU 41 3HD2 LEU 41 18.379 9.737 16.089 1203 H ILE 42 H ILE 42 14.496 9.699 13.504 1204 HA ILE 42 HA ILE 42 15.798 11.079 11.552 1205 HB ILE 42 HB ILE 42 13.294 9.401 11.371 1206 1HG1 ILE 42 1HG1 ILE 42 14.972 8.071 12.334 1207 2HG1 ILE 42 2HG1 ILE 42 14.993 7.660 10.631 1208 1HG2 ILE 42 1HG2 ILE 42 15.205 10.249 9.176 1209 2HG2 ILE 42 2HG2 ILE 42 13.887 9.063 9.013 1210 3HG2 ILE 42 3HG2 ILE 42 13.512 10.766 9.368 1211 1HD1 ILE 42 1HD1 ILE 42 16.823 9.565 10.458 1212 2HD1 ILE 42 2HD1 ILE 42 16.983 9.298 12.210 1213 3HD1 ILE 42 3HD1 ILE 42 17.277 7.959 11.076 1214 H GLU 43 H GLU 43 15.654 13.307 11.501 1215 HA GLU 43 HA GLU 43 13.388 14.752 11.956 1216 1HB GLU 43 1HB GLU 43 16.053 15.215 10.821 1217 2HB GLU 43 2HB GLU 43 14.852 16.237 10.056 1218 1HG GLU 43 1HG GLU 43 14.905 17.599 11.865 1219 2HG GLU 43 2HG GLU 43 14.228 16.303 12.831 1220 HA PRO 44 HA PRO 44 12.546 14.527 7.290 1221 1HB PRO 44 1HB PRO 44 13.958 12.783 5.731 1222 2HB PRO 44 2HB PRO 44 14.378 14.476 5.896 1223 1HG PRO 44 1HG PRO 44 15.695 12.115 7.091 1224 2HG PRO 44 2HG PRO 44 16.324 13.739 6.890 1225 1HD PRO 44 1HD PRO 44 15.347 12.565 9.319 1226 2HD PRO 44 2HD PRO 44 15.867 14.223 9.091 1227 H MET 45 H MET 45 10.588 13.765 8.066 1228 HA MET 45 HA MET 45 9.933 11.266 7.010 1229 1HB MET 45 1HB MET 45 11.183 11.115 9.535 1230 2HB MET 45 2HB MET 45 9.479 11.070 9.942 1231 1HG MET 45 1HG MET 45 9.122 9.031 8.863 1232 2HG MET 45 2HG MET 45 10.363 9.321 7.660 1233 1HE MET 45 1HE MET 45 10.864 6.180 9.138 1234 2HE MET 45 2HE MET 45 10.428 6.553 10.823 1235 3HE MET 45 3HE MET 45 9.365 7.071 9.493 1236 H LYS 46 H LYS 46 9.243 13.841 9.426 1237 HA LYS 46 HA LYS 46 7.423 15.032 9.812 1238 1HB LYS 46 1HB LYS 46 6.424 13.799 7.230 1239 2HB LYS 46 2HB LYS 46 5.580 15.058 8.108 1240 1HG LYS 46 1HG LYS 46 8.373 15.813 7.801 1241 2HG LYS 46 2HG LYS 46 7.722 15.366 6.237 1242 1HD LYS 46 1HD LYS 46 5.684 16.920 7.464 1243 2HD LYS 46 2HD LYS 46 7.180 17.749 7.848 1244 1HE LYS 46 1HE LYS 46 7.732 18.101 5.568 1245 2HE LYS 46 2HE LYS 46 6.706 16.794 5.011 1246 1HZ LYS 46 1HZ LYS 46 5.436 19.007 6.383 1247 2HZ LYS 46 2HZ LYS 46 5.957 19.261 4.857 1248 3HZ LYS 46 3HZ LYS 46 4.871 18.081 5.163 1249 H ALA 47 H ALA 47 6.164 11.890 8.476 1250 HA ALA 47 HA ALA 47 5.342 11.086 11.102 1251 1HB ALA 47 1HB ALA 47 2.896 10.842 10.165 1252 2HB ALA 47 2HB ALA 47 3.433 12.403 10.831 1253 3HB ALA 47 3HB ALA 47 3.386 12.156 9.069 1254 H PHE 48 H PHE 48 4.872 8.832 11.173 1255 HA PHE 48 HA PHE 48 4.956 7.439 8.617 1256 1HB PHE 48 1HB PHE 48 7.264 7.293 9.214 1257 2HB PHE 48 2HB PHE 48 6.921 7.397 10.930 1258 HD1 PHE 48 HD1 PHE 48 6.713 5.113 8.013 1259 HD2 PHE 48 HD2 PHE 48 6.785 5.454 12.242 1260 HE1 PHE 48 HE1 PHE 48 6.945 2.622 8.210 1261 HE2 PHE 48 HE2 PHE 48 7.017 2.963 12.439 1262 HZ PHE 48 HZ PHE 48 7.095 1.577 10.421 1263 H HIS 49 H HIS 49 3.133 6.213 8.620 1264 HA HIS 49 HA HIS 49 2.396 4.993 11.181 1265 1HB HIS 49 1HB HIS 49 0.072 4.996 10.337 1266 2HB HIS 49 2HB HIS 49 0.738 6.603 10.546 1267 HD1 HIS 49 HD1 HIS 49 0.770 8.137 8.521 1268 HD2 HIS 49 HD2 HIS 49 -0.106 4.153 7.541 1269 HE1 HIS 49 HE1 HIS 49 0.072 8.141 6.067 1270 HE2 HIS 49 HE2 HIS 49 -0.401 5.660 5.507 1271 H TRP 50 H TRP 50 1.386 2.813 11.026 1272 HA TRP 50 HA TRP 50 2.530 1.359 8.742 1273 1HB TRP 50 1HB TRP 50 2.870 -0.490 10.131 1274 2HB TRP 50 2HB TRP 50 3.449 0.895 11.035 1275 HD1 TRP 50 HD1 TRP 50 1.265 1.916 12.782 1276 HE1 TRP 50 HE1 TRP 50 -0.200 0.544 14.494 1277 HE3 TRP 50 HE3 TRP 50 2.049 -2.620 10.622 1278 HZ2 TRP 50 HZ2 TRP 50 -0.853 -2.223 14.748 1279 HZ3 TRP 50 HZ3 TRP 50 0.961 -4.606 11.665 1280 HH2 TRP 50 HH2 TRP 50 -0.448 -4.460 13.656 1281 H GLY 51 H GLY 51 1.194 -0.659 8.155 1282 1HA GLY 51 1HA GLY 51 -1.637 -0.483 8.812 1283 2HA GLY 51 2HA GLY 51 -1.211 -0.139 7.147 1284 H LYS 52 H LYS 52 -2.142 -2.579 9.262 1285 HA LYS 52 HA LYS 52 -0.786 -4.635 7.666 1286 1HB LYS 52 1HB LYS 52 -1.032 -6.121 9.519 1287 2HB LYS 52 2HB LYS 52 -0.333 -4.631 10.120 1288 1HG LYS 52 1HG LYS 52 -2.157 -4.148 11.420 1289 2HG LYS 52 2HG LYS 52 -3.294 -4.613 10.171 1290 1HD LYS 52 1HD LYS 52 -3.475 -6.127 12.122 1291 2HD LYS 52 2HD LYS 52 -2.950 -7.010 10.702 1292 1HE LYS 52 1HE LYS 52 -1.010 -7.621 11.713 1293 2HE LYS 52 2HE LYS 52 -0.620 -5.956 12.096 1294 1HZ LYS 52 1HZ LYS 52 -1.032 -7.584 13.985 1295 2HZ LYS 52 2HZ LYS 52 -1.709 -6.102 14.098 1296 3HZ LYS 52 3HZ LYS 52 -2.622 -7.385 13.667 1297 H ASP 53 H ASP 53 -2.075 -6.490 6.963 1298 HA ASP 53 HA ASP 53 -4.304 -5.795 5.639 1299 1HB ASP 53 1HB ASP 53 -3.049 -7.908 5.297 1300 2HB ASP 53 2HB ASP 53 -3.607 -8.513 6.844 1301 H VAL 54 H VAL 54 -5.999 -4.717 6.747 1302 HA VAL 54 HA VAL 54 -6.994 -5.968 9.195 1303 HB VAL 54 HB VAL 54 -7.237 -3.230 7.965 1304 1HG1 VAL 54 1HG1 VAL 54 -8.690 -2.664 9.954 1305 2HG1 VAL 54 2HG1 VAL 54 -9.462 -3.681 8.714 1306 3HG1 VAL 54 3HG1 VAL 54 -8.875 -4.414 10.226 1307 1HG2 VAL 54 1HG2 VAL 54 -5.752 -2.583 9.518 1308 2HG2 VAL 54 2HG2 VAL 54 -6.577 -3.487 10.811 1309 3HG2 VAL 54 3HG2 VAL 54 -5.418 -4.317 9.745 1310 H SER 55 H SER 55 -8.668 -7.356 9.014 1311 HA SER 55 HA SER 55 -11.048 -6.832 7.976 1312 1HB SER 55 1HB SER 55 -9.153 -7.446 5.790 1313 2HB SER 55 2HB SER 55 -10.580 -8.463 5.763 1314 HG SER 55 HG SER 55 -11.678 -6.812 4.979 1315 H ILE 56 H ILE 56 -9.132 -9.668 6.802 1316 HA ILE 56 HA ILE 56 -10.591 -11.293 8.768 1317 HB ILE 56 HB ILE 56 -9.867 -11.710 5.908 1318 1HG1 ILE 56 1HG1 ILE 56 -12.258 -12.925 7.180 1319 2HG1 ILE 56 2HG1 ILE 56 -12.205 -11.173 7.174 1320 1HG2 ILE 56 1HG2 ILE 56 -8.708 -13.567 6.760 1321 2HG2 ILE 56 2HG2 ILE 56 -9.941 -13.880 8.004 1322 3HG2 ILE 56 3HG2 ILE 56 -10.306 -14.195 6.291 1323 1HD1 ILE 56 1HD1 ILE 56 -12.560 -13.051 4.918 1324 2HD1 ILE 56 2HD1 ILE 56 -13.030 -11.340 5.056 1325 3HD1 ILE 56 3HD1 ILE 56 -11.366 -11.771 4.594 1326 H GLU 57 H GLU 57 -7.547 -10.016 7.795 1327 HA GLU 57 HA GLU 57 -5.475 -10.466 8.306 1328 1HB GLU 57 1HB GLU 57 -7.029 -10.977 10.804 1329 2HB GLU 57 2HB GLU 57 -5.374 -11.553 10.818 1330 1HG GLU 57 1HG GLU 57 -6.050 -8.731 9.901 1331 2HG GLU 57 2HG GLU 57 -5.825 -9.104 11.599 1332 H ASN 58 H ASN 58 -6.072 -12.311 6.534 1333 HA ASN 58 HA ASN 58 -4.524 -14.507 7.324 1334 1HB ASN 58 1HB ASN 58 -7.084 -14.891 8.145 1335 2HB ASN 58 2HB ASN 58 -7.283 -15.402 6.481 1336 1HD2 ASN 58 1HD2 ASN 58 -7.743 -17.240 8.294 1337 2HD2 ASN 58 2HD2 ASN 58 -6.480 -18.420 8.410 1338 H LEU 59 H LEU 59 -7.339 -13.700 5.139 1339 HA LEU 59 HA LEU 59 -6.445 -14.994 2.891 1340 1HB LEU 59 1HB LEU 59 -8.372 -12.885 3.552 1341 2HB LEU 59 2HB LEU 59 -7.763 -12.790 1.911 1342 HG LEU 59 HG LEU 59 -9.156 -15.155 3.192 1343 1HD1 LEU 59 1HD1 LEU 59 -10.187 -13.859 0.728 1344 2HD1 LEU 59 2HD1 LEU 59 -11.054 -14.553 2.119 1345 3HD1 LEU 59 3HD1 LEU 59 -10.329 -12.932 2.241 1346 1HD2 LEU 59 1HD2 LEU 59 -7.479 -14.966 0.762 1347 2HD2 LEU 59 2HD2 LEU 59 -7.881 -16.367 1.785 1348 3HD2 LEU 59 3HD2 LEU 59 -9.043 -15.793 0.565 1349 H HIS 60 H HIS 60 -4.219 -14.845 2.521 1350 HA HIS 60 HA HIS 60 -3.389 -12.738 0.932 1351 1HB HIS 60 1HB HIS 60 -1.746 -11.623 2.365 1352 2HB HIS 60 2HB HIS 60 -3.388 -11.367 2.924 1353 HD1 HIS 60 HD1 HIS 60 -0.259 -13.356 3.786 1354 HD2 HIS 60 HD2 HIS 60 -3.911 -12.227 5.514 1355 HE1 HIS 60 HE1 HIS 60 -0.122 -14.020 6.246 1356 HE2 HIS 60 HE2 HIS 60 -2.372 -13.252 7.267 1357 H GLN 61 H GLN 61 -1.380 -13.229 -0.071 1358 HA GLN 61 HA GLN 61 -0.687 -15.941 0.130 1359 1HB GLN 61 1HB GLN 61 -0.363 -13.883 -1.746 1360 2HB GLN 61 2HB GLN 61 1.279 -14.233 -1.245 1361 1HG GLN 61 1HG GLN 61 0.556 -15.646 -3.181 1362 2HG GLN 61 2HG GLN 61 1.011 -16.608 -1.789 1363 1HE2 GLN 61 1HE2 GLN 61 -1.846 -14.913 -3.081 1364 2HE2 GLN 61 2HE2 GLN 61 -3.003 -16.163 -2.768 1365 H GLY 62 H GLY 62 0.355 -13.032 1.760 1366 1HA GLY 62 1HA GLY 62 1.642 -13.853 3.835 1367 2HA GLY 62 2HA GLY 62 2.852 -14.310 2.653 1368 H TYR 63 H TYR 63 0.660 -11.430 3.065 1369 HA TYR 63 HA TYR 63 2.839 -9.699 2.290 1370 1HB TYR 63 1HB TYR 63 -0.140 -9.659 2.824 1371 2HB TYR 63 2HB TYR 63 0.686 -8.136 3.085 1372 HD1 TYR 63 HD1 TYR 63 1.628 -6.876 1.219 1373 HD2 TYR 63 HD2 TYR 63 -0.309 -10.635 0.572 1374 HE1 TYR 63 HE1 TYR 63 1.510 -6.394 -1.274 1375 HE2 TYR 63 HE2 TYR 63 -0.421 -10.140 -1.919 1376 HH TYR 63 HH TYR 63 -0.204 -8.577 -3.452 1377 H THR 64 H THR 64 0.888 -10.484 5.217 1378 HA THR 64 HA THR 64 1.380 -10.200 7.379 1379 HB THR 64 HB THR 64 3.971 -8.778 6.661 1380 HG1 THR 64 HG1 THR 64 3.250 -11.625 6.603 1381 1HG2 THR 64 1HG2 THR 64 4.807 -9.812 8.631 1382 2HG2 THR 64 2HG2 THR 64 3.140 -9.401 9.099 1383 3HG2 THR 64 3HG2 THR 64 3.544 -11.066 8.616 1384 H HIS 65 H HIS 65 2.519 -7.310 5.503 1385 HA HIS 65 HA HIS 65 0.427 -5.704 6.098 1386 1HB HIS 65 1HB HIS 65 1.425 -4.283 7.974 1387 2HB HIS 65 2HB HIS 65 0.655 -5.795 8.411 1388 HD1 HIS 65 HD1 HIS 65 2.071 -7.552 9.600 1389 HD2 HIS 65 HD2 HIS 65 4.330 -4.350 8.103 1390 HE1 HIS 65 HE1 HIS 65 4.422 -7.828 10.554 1391 HE2 HIS 65 HE2 HIS 65 5.778 -5.863 9.556 1392 H ILE 66 H ILE 66 1.167 -3.227 6.008 1393 HA ILE 66 HA ILE 66 3.621 -3.070 4.419 1394 HB ILE 66 HB ILE 66 2.494 -1.617 2.817 1395 1HG1 ILE 66 1HG1 ILE 66 -0.235 -2.415 3.609 1396 2HG1 ILE 66 2HG1 ILE 66 0.543 -1.302 4.717 1397 1HG2 ILE 66 1HG2 ILE 66 2.467 -4.349 2.904 1398 2HG2 ILE 66 2HG2 ILE 66 0.746 -3.977 2.647 1399 3HG2 ILE 66 3HG2 ILE 66 1.969 -3.360 1.511 1400 1HD1 ILE 66 1HD1 ILE 66 -0.661 -0.687 2.214 1401 2HD1 ILE 66 2HD1 ILE 66 0.243 0.418 3.277 1402 3HD1 ILE 66 3HD1 ILE 66 1.091 -0.468 1.987 1403 H PHE 67 H PHE 67 4.616 -0.935 4.420 1404 HA PHE 67 HA PHE 67 3.625 0.728 6.628 1405 1HB PHE 67 1HB PHE 67 6.489 0.038 5.733 1406 2HB PHE 67 2HB PHE 67 6.113 1.156 7.029 1407 HD1 PHE 67 HD1 PHE 67 4.101 -0.162 8.601 1408 HD2 PHE 67 HD2 PHE 67 7.453 -1.854 6.625 1409 HE1 PHE 67 HE1 PHE 67 4.109 -2.061 10.242 1410 HE2 PHE 67 HE2 PHE 67 7.461 -3.754 8.266 1411 HZ PHE 67 HZ PHE 67 5.790 -3.834 10.055 1412 H GLU 68 H GLU 68 3.204 2.813 6.067 1413 HA GLU 68 HA GLU 68 4.415 3.717 3.572 1414 1HB GLU 68 1HB GLU 68 1.941 3.486 3.482 1415 2HB GLU 68 2HB GLU 68 1.779 4.566 4.852 1416 1HG GLU 68 1HG GLU 68 3.415 5.632 2.591 1417 2HG GLU 68 2HG GLU 68 1.719 5.383 2.225 1418 H SER 69 H SER 69 5.484 5.722 3.526 1419 HA SER 69 HA SER 69 5.636 7.036 6.127 1420 1HB SER 69 1HB SER 69 7.731 5.793 5.329 1421 2HB SER 69 2HB SER 69 7.843 6.963 4.029 1422 HG SER 69 HG SER 69 9.104 7.417 6.065 1423 H THR 70 H THR 70 4.974 9.162 6.135 1424 HA THR 70 HA THR 70 4.233 10.355 3.613 1425 HB THR 70 HB THR 70 4.041 11.322 6.516 1426 HG1 THR 70 HG1 THR 70 2.106 10.175 4.636 1427 1HG2 THR 70 1HG2 THR 70 2.635 12.196 3.937 1428 2HG2 THR 70 2HG2 THR 70 2.131 12.685 5.573 1429 3HG2 THR 70 3HG2 THR 70 3.712 13.200 4.937 1430 H PHE 71 H PHE 71 5.400 11.708 2.402 1431 HA PHE 71 HA PHE 71 7.604 13.097 3.744 1432 1HB PHE 71 1HB PHE 71 7.473 11.305 1.296 1433 2HB PHE 71 2HB PHE 71 8.559 12.678 1.208 1434 HD1 PHE 71 HD1 PHE 71 10.474 12.841 2.772 1435 HD2 PHE 71 HD2 PHE 71 7.988 9.404 2.656 1436 HE1 PHE 71 HE1 PHE 71 12.227 11.532 4.001 1437 HE2 PHE 71 HE2 PHE 71 9.742 8.095 3.885 1438 HZ PHE 71 HZ PHE 71 11.840 9.174 4.543 1439 H GLU 72 H GLU 72 8.425 14.996 2.392 1440 HA GLU 72 HA GLU 72 6.199 16.090 0.856 1441 1HB GLU 72 1HB GLU 72 6.691 18.308 1.785 1442 2HB GLU 72 2HB GLU 72 6.366 17.177 3.083 1443 1HG GLU 72 1HG GLU 72 8.592 17.129 3.801 1444 2HG GLU 72 2HG GLU 72 9.231 17.478 2.207 1445 H SER 73 H SER 73 8.831 14.596 0.207 1446 HA SER 73 HA SER 73 9.436 16.103 -2.052 1447 1HB SER 73 1HB SER 73 10.794 17.608 -0.901 1448 2HB SER 73 2HB SER 73 11.234 16.443 0.332 1449 HG SER 73 HG SER 73 12.785 17.154 -1.608 1450 H LYS 74 H LYS 74 9.827 14.482 -3.511 1451 HA LYS 74 HA LYS 74 10.247 11.855 -2.772 1452 1HB LYS 74 1HB LYS 74 10.426 11.400 -5.069 1453 2HB LYS 74 2HB LYS 74 9.368 12.793 -4.965 1454 1HG LYS 74 1HG LYS 74 10.784 14.017 -6.241 1455 2HG LYS 74 2HG LYS 74 12.089 13.754 -5.102 1456 1HD LYS 74 1HD LYS 74 12.840 12.862 -7.212 1457 2HD LYS 74 2HD LYS 74 12.485 11.482 -6.191 1458 1HE LYS 74 1HE LYS 74 11.033 10.716 -7.754 1459 2HE LYS 74 2HE LYS 74 10.031 12.132 -7.501 1460 1HZ LYS 74 1HZ LYS 74 10.697 12.939 -9.425 1461 2HZ LYS 74 2HZ LYS 74 12.281 12.769 -9.065 1462 3HZ LYS 74 3HZ LYS 74 11.459 11.529 -9.739 1463 H GLU 75 H GLU 75 12.507 14.545 -3.159 1464 HA GLU 75 HA GLU 75 14.788 12.937 -3.449 1465 1HB GLU 75 1HB GLU 75 14.434 15.820 -2.524 1466 2HB GLU 75 2HB GLU 75 15.998 15.084 -2.814 1467 1HG GLU 75 1HG GLU 75 15.198 14.523 -5.180 1468 2HG GLU 75 2HG GLU 75 13.764 15.477 -4.857 1469 H ALA 76 H ALA 76 13.131 14.496 -0.645 1470 HA ALA 76 HA ALA 76 15.036 13.903 1.282 1471 1HB ALA 76 1HB ALA 76 12.007 14.027 1.574 1472 2HB ALA 76 2HB ALA 76 13.211 14.276 2.861 1473 3HB ALA 76 3HB ALA 76 13.085 15.443 1.523 1474 H VAL 77 H VAL 77 12.473 11.920 -0.234 1475 HA VAL 77 HA VAL 77 12.507 9.827 1.610 1476 HB VAL 77 HB VAL 77 11.957 9.756 -1.363 1477 1HG1 VAL 77 1HG1 VAL 77 11.789 7.547 -0.942 1478 2HG1 VAL 77 2HG1 VAL 77 11.688 7.786 0.819 1479 3HG1 VAL 77 3HG1 VAL 77 10.235 7.982 -0.190 1480 1HG2 VAL 77 1HG2 VAL 77 9.701 9.934 0.545 1481 2HG2 VAL 77 2HG2 VAL 77 10.703 11.399 0.411 1482 3HG2 VAL 77 3HG2 VAL 77 9.934 10.711 -1.040 1483 H ALA 78 H ALA 78 14.772 10.840 -0.891 1484 HA ALA 78 HA ALA 78 16.042 8.305 -1.153 1485 1HB ALA 78 1HB ALA 78 17.487 10.851 -1.758 1486 2HB ALA 78 2HB ALA 78 17.314 9.374 -2.736 1487 3HB ALA 78 3HB ALA 78 15.977 10.547 -2.650 1488 H GLU 79 H GLU 79 16.613 11.324 0.748 1489 HA GLU 79 HA GLU 79 19.030 10.474 1.820 1490 1HB GLU 79 1HB GLU 79 17.932 12.836 1.780 1491 2HB GLU 79 2HB GLU 79 17.087 12.334 3.231 1492 1HG GLU 79 1HG GLU 79 19.268 11.840 4.342 1493 2HG GLU 79 2HG GLU 79 20.124 12.309 2.886 1494 H TYR 80 H TYR 80 15.626 9.902 2.720 1495 HA TYR 80 HA TYR 80 16.108 8.962 5.325 1496 1HB TYR 80 1HB TYR 80 13.854 9.528 4.705 1497 2HB TYR 80 2HB TYR 80 14.010 8.785 3.126 1498 HD1 TYR 80 HD1 TYR 80 12.229 7.270 2.999 1499 HD2 TYR 80 HD2 TYR 80 14.689 7.306 6.499 1500 HE1 TYR 80 HE1 TYR 80 11.040 5.196 3.865 1501 HE2 TYR 80 HE2 TYR 80 13.493 5.232 7.352 1502 HH TYR 80 HH TYR 80 12.147 3.574 6.790 1503 H ILE 81 H ILE 81 15.867 7.309 2.115 1504 HA ILE 81 HA ILE 81 16.188 4.727 3.248 1505 HB ILE 81 HB ILE 81 16.465 5.741 0.418 1506 1HG1 ILE 81 1HG1 ILE 81 14.138 4.364 1.790 1507 2HG1 ILE 81 2HG1 ILE 81 14.237 6.084 1.470 1508 1HG2 ILE 81 1HG2 ILE 81 16.134 3.356 -0.215 1509 2HG2 ILE 81 2HG2 ILE 81 17.680 3.677 0.606 1510 3HG2 ILE 81 3HG2 ILE 81 16.341 2.913 1.496 1511 1HD1 ILE 81 1HD1 ILE 81 13.353 5.683 -0.575 1512 2HD1 ILE 81 2HD1 ILE 81 14.865 4.846 -1.004 1513 3HD1 ILE 81 3HD1 ILE 81 13.495 3.925 -0.339 1514 H ALA 82 H ALA 82 18.331 7.363 2.409 1515 HA ALA 82 HA ALA 82 20.628 5.555 2.419 1516 1HB ALA 82 1HB ALA 82 21.184 6.960 0.740 1517 2HB ALA 82 2HB ALA 82 19.952 8.153 1.219 1518 3HB ALA 82 3HB ALA 82 21.544 8.148 2.017 1519 H HIS 83 H HIS 83 19.049 5.914 4.844 1520 HA HIS 83 HA HIS 83 20.840 7.602 6.419 1521 1HB HIS 83 1HB HIS 83 18.140 7.635 6.343 1522 2HB HIS 83 2HB HIS 83 18.372 6.456 7.618 1523 HD1 HIS 83 HD1 HIS 83 19.321 7.286 9.884 1524 HD2 HIS 83 HD2 HIS 83 19.013 10.282 6.964 1525 HE1 HIS 83 HE1 HIS 83 19.670 9.504 11.096 1526 HE2 HIS 83 HE2 HIS 83 19.524 11.303 9.242 1527 HA PRO 84 HA PRO 84 22.570 3.964 8.031 1528 1HB PRO 84 1HB PRO 84 24.047 5.047 10.059 1529 2HB PRO 84 2HB PRO 84 24.589 5.009 8.393 1530 1HG PRO 84 1HG PRO 84 23.556 7.297 9.954 1531 2HG PRO 84 2HG PRO 84 24.483 7.312 8.467 1532 1HD PRO 84 1HD PRO 84 21.664 7.771 8.737 1533 2HD PRO 84 2HD PRO 84 22.572 7.671 7.241 1534 H ALA 85 H ALA 85 20.977 6.196 10.199 1535 HA ALA 85 HA ALA 85 20.739 4.439 12.346 1536 1HB ALA 85 1HB ALA 85 18.619 6.470 11.656 1537 2HB ALA 85 2HB ALA 85 19.327 6.067 13.238 1538 3HB ALA 85 3HB ALA 85 20.266 7.014 12.059 1539 H HIS 86 H HIS 86 18.643 5.027 9.461 1540 HA HIS 86 HA HIS 86 16.705 3.143 10.331 1541 1HB HIS 86 1HB HIS 86 15.713 4.670 8.974 1542 2HB HIS 86 2HB HIS 86 17.146 4.913 7.995 1543 HD1 HIS 86 HD1 HIS 86 17.658 2.933 6.179 1544 HD2 HIS 86 HD2 HIS 86 13.812 3.021 7.852 1545 HE1 HIS 86 HE1 HIS 86 16.181 1.521 4.650 1546 HE2 HIS 86 HE2 HIS 86 13.843 1.568 5.759 1547 H VAL 87 H VAL 87 19.542 3.134 8.125 1548 HA VAL 87 HA VAL 87 19.085 0.636 6.985 1549 HB VAL 87 HB VAL 87 21.445 2.418 7.428 1550 1HG1 VAL 87 1HG1 VAL 87 21.576 -0.428 6.385 1551 2HG1 VAL 87 2HG1 VAL 87 22.841 0.793 6.107 1552 3HG1 VAL 87 3HG1 VAL 87 22.458 0.270 7.764 1553 1HG2 VAL 87 1HG2 VAL 87 21.239 2.913 5.208 1554 2HG2 VAL 87 2HG2 VAL 87 20.675 1.280 4.779 1555 3HG2 VAL 87 3HG2 VAL 87 19.554 2.440 5.533 1556 H GLU 88 H GLU 88 20.527 1.643 10.103 1557 HA GLU 88 HA GLU 88 21.744 -0.712 10.765 1558 1HB GLU 88 1HB GLU 88 21.611 1.637 11.972 1559 2HB GLU 88 2HB GLU 88 20.267 0.922 12.841 1560 1HG GLU 88 1HG GLU 88 21.814 0.037 14.253 1561 2HG GLU 88 2HG GLU 88 22.200 -1.091 12.968 1562 H PHE 89 H PHE 89 18.301 0.295 11.111 1563 HA PHE 89 HA PHE 89 17.575 -2.088 12.490 1564 1HB PHE 89 1HB PHE 89 16.523 0.493 11.801 1565 2HB PHE 89 2HB PHE 89 15.455 -0.652 11.013 1566 HD1 PHE 89 HD1 PHE 89 13.521 -0.928 12.223 1567 HD2 PHE 89 HD2 PHE 89 17.195 -0.624 14.324 1568 HE1 PHE 89 HE1 PHE 89 12.310 -1.292 14.391 1569 HE2 PHE 89 HE2 PHE 89 15.984 -0.988 16.493 1570 HZ PHE 89 HZ PHE 89 13.557 -1.317 16.501 1571 H ALA 90 H ALA 90 17.084 -0.813 9.124 1572 HA ALA 90 HA ALA 90 15.659 -2.966 8.149 1573 1HB ALA 90 1HB ALA 90 17.644 -1.651 6.350 1574 2HB ALA 90 2HB ALA 90 15.892 -1.889 6.142 1575 3HB ALA 90 3HB ALA 90 16.495 -0.577 7.183 1576 H THR 91 H THR 91 19.146 -2.548 8.774 1577 HA THR 91 HA THR 91 19.966 -4.816 7.276 1578 HB THR 91 HB THR 91 21.234 -3.205 9.553 1579 HG1 THR 91 HG1 THR 91 21.404 -3.338 6.624 1580 1HG2 THR 91 1HG2 THR 91 22.627 -5.121 9.480 1581 2HG2 THR 91 2HG2 THR 91 22.268 -5.430 7.764 1582 3HG2 THR 91 3HG2 THR 91 23.356 -4.096 8.219 1583 H ILE 92 H ILE 92 18.866 -4.296 10.642 1584 HA ILE 92 HA ILE 92 19.612 -6.904 11.477 1585 HB ILE 92 HB ILE 92 17.941 -4.682 12.597 1586 1HG1 ILE 92 1HG1 ILE 92 20.499 -4.724 12.622 1587 2HG1 ILE 92 2HG1 ILE 92 19.675 -4.407 14.136 1588 1HG2 ILE 92 1HG2 ILE 92 17.916 -7.546 13.406 1589 2HG2 ILE 92 2HG2 ILE 92 18.001 -6.326 14.700 1590 3HG2 ILE 92 3HG2 ILE 92 16.653 -6.299 13.537 1591 1HD1 ILE 92 1HD1 ILE 92 20.579 -7.198 13.305 1592 2HD1 ILE 92 2HD1 ILE 92 21.582 -6.094 14.277 1593 3HD1 ILE 92 3HD1 ILE 92 20.024 -6.674 14.913 1594 H PHE 93 H PHE 93 16.637 -5.371 10.163 1595 HA PHE 93 HA PHE 93 14.973 -7.581 10.591 1596 1HB PHE 93 1HB PHE 93 14.088 -5.353 10.089 1597 2HB PHE 93 2HB PHE 93 15.090 -5.205 8.660 1598 HD1 PHE 93 HD1 PHE 93 13.787 -5.106 6.769 1599 HD2 PHE 93 HD2 PHE 93 12.690 -7.819 9.841 1600 HE1 PHE 93 HE1 PHE 93 11.891 -5.943 5.353 1601 HE2 PHE 93 HE2 PHE 93 10.794 -8.657 8.426 1602 HZ PHE 93 HZ PHE 93 10.417 -7.708 6.198 1603 H LEU 94 H LEU 94 17.295 -6.731 8.012 1604 HA LEU 94 HA LEU 94 16.358 -8.532 6.091 1605 1HB LEU 94 1HB LEU 94 17.995 -7.682 4.870 1606 2HB LEU 94 2HB LEU 94 18.235 -6.572 6.205 1607 HG LEU 94 HG LEU 94 19.887 -8.353 7.120 1608 1HD1 LEU 94 1HD1 LEU 94 19.755 -10.262 5.910 1609 2HD1 LEU 94 2HD1 LEU 94 19.259 -9.422 4.421 1610 3HD1 LEU 94 3HD1 LEU 94 20.970 -9.426 4.913 1611 1HD2 LEU 94 1HD2 LEU 94 20.179 -6.209 5.179 1612 2HD2 LEU 94 2HD2 LEU 94 21.185 -6.628 6.587 1613 3HD2 LEU 94 3HD2 LEU 94 21.466 -7.429 5.022 1614 H GLY 95 H GLY 95 18.370 -8.904 9.001 1615 1HA GLY 95 1HA GLY 95 19.530 -11.383 8.424 1616 2HA GLY 95 2HA GLY 95 19.214 -10.722 10.015 1617 H SER 96 H SER 96 16.202 -10.507 8.950 1618 HA SER 96 HA SER 96 15.521 -13.286 8.902 1619 1HB SER 96 1HB SER 96 15.262 -11.624 11.346 1620 2HB SER 96 2HB SER 96 13.781 -12.443 10.892 1621 HG SER 96 HG SER 96 16.004 -14.112 10.695 1622 H LEU 97 H LEU 97 15.029 -12.046 6.737 1623 HA LEU 97 HA LEU 97 12.347 -10.865 6.973 1624 1HB LEU 97 1HB LEU 97 12.826 -9.304 5.393 1625 2HB LEU 97 2HB LEU 97 14.363 -9.419 6.227 1626 HG LEU 97 HG LEU 97 15.126 -11.011 4.410 1627 1HD1 LEU 97 1HD1 LEU 97 13.492 -10.200 2.285 1628 2HD1 LEU 97 2HD1 LEU 97 13.603 -11.821 3.012 1629 3HD1 LEU 97 3HD1 LEU 97 12.373 -10.670 3.587 1630 1HD2 LEU 97 1HD2 LEU 97 16.177 -9.212 3.656 1631 2HD2 LEU 97 2HD2 LEU 97 14.715 -8.694 2.782 1632 3HD2 LEU 97 3HD2 LEU 97 14.976 -8.178 4.466 1633 H ASP 98 H ASP 98 10.717 -11.690 5.668 1634 HA ASP 98 HA ASP 98 11.407 -14.203 4.439 1635 1HB ASP 98 1HB ASP 98 9.347 -13.625 6.021 1636 2HB ASP 98 2HB ASP 98 8.617 -13.022 4.546 1637 H LYS 99 H LYS 99 9.891 -10.991 3.735 1638 HA LYS 99 HA LYS 99 10.788 -11.055 1.049 1639 1HB LYS 99 1HB LYS 99 8.375 -10.852 0.127 1640 2HB LYS 99 2HB LYS 99 9.047 -12.443 0.425 1641 1HG LYS 99 1HG LYS 99 7.957 -12.304 2.773 1642 2HG LYS 99 2HG LYS 99 7.091 -10.900 2.181 1643 1HD LYS 99 1HD LYS 99 7.036 -13.603 0.766 1644 2HD LYS 99 2HD LYS 99 5.852 -13.133 1.969 1645 1HE LYS 99 1HE LYS 99 5.169 -11.189 0.601 1646 2HE LYS 99 2HE LYS 99 6.427 -11.533 -0.570 1647 1HZ LYS 99 1HZ LYS 99 4.045 -13.127 0.015 1648 2HZ LYS 99 2HZ LYS 99 4.509 -12.486 -1.413 1649 3HZ LYS 99 3HZ LYS 99 5.315 -13.763 -0.791 1650 H VAL 100 H VAL 100 10.537 -8.976 0.027 1651 HA VAL 100 HA VAL 100 9.158 -6.927 1.512 1652 HB VAL 100 HB VAL 100 11.037 -6.682 2.788 1653 1HG1 VAL 100 1HG1 VAL 100 13.397 -6.798 1.515 1654 2HG1 VAL 100 2HG1 VAL 100 12.598 -8.235 2.197 1655 3HG1 VAL 100 3HG1 VAL 100 12.458 -7.880 0.458 1656 1HG2 VAL 100 1HG2 VAL 100 11.576 -5.023 0.306 1657 2HG2 VAL 100 2HG2 VAL 100 10.651 -4.548 1.750 1658 3HG2 VAL 100 3HG2 VAL 100 12.409 -4.797 1.862 1659 H LEU 101 H LEU 101 8.287 -5.496 0.084 1660 HA LEU 101 HA LEU 101 9.576 -5.309 -2.541 1661 1HB LEU 101 1HB LEU 101 6.653 -5.775 -1.958 1662 2HB LEU 101 2HB LEU 101 7.247 -5.196 -3.502 1663 HG LEU 101 HG LEU 101 6.941 -7.494 -3.801 1664 1HD1 LEU 101 1HD1 LEU 101 9.820 -7.749 -3.124 1665 2HD1 LEU 101 2HD1 LEU 101 8.953 -8.102 -4.638 1666 3HD1 LEU 101 3HD1 LEU 101 9.367 -6.422 -4.221 1667 1HD2 LEU 101 1HD2 LEU 101 7.004 -7.758 -1.127 1668 2HD2 LEU 101 2HD2 LEU 101 7.125 -9.132 -2.253 1669 3HD2 LEU 101 3HD2 LEU 101 8.598 -8.443 -1.529 1670 H VAL 102 H VAL 102 10.221 -3.253 -2.850 1671 HA VAL 102 HA VAL 102 8.800 -1.171 -1.373 1672 HB VAL 102 HB VAL 102 11.431 -1.051 -2.857 1673 1HG1 VAL 102 1HG1 VAL 102 9.769 0.943 -1.599 1674 2HG1 VAL 102 2HG1 VAL 102 11.316 0.809 -0.729 1675 3HG1 VAL 102 3HG1 VAL 102 11.304 1.143 -2.478 1676 1HG2 VAL 102 1HG2 VAL 102 10.940 -2.566 -0.602 1677 2HG2 VAL 102 2HG2 VAL 102 12.523 -1.922 -1.098 1678 3HG2 VAL 102 3HG2 VAL 102 11.529 -1.030 0.078 1679 H ILE 103 H ILE 103 7.348 0.105 -2.394 1680 HA ILE 103 HA ILE 103 7.751 0.637 -5.223 1681 HB ILE 103 HB ILE 103 5.263 -0.630 -4.080 1682 1HG1 ILE 103 1HG1 ILE 103 7.134 -2.162 -4.663 1683 2HG1 ILE 103 2HG1 ILE 103 5.681 -2.427 -5.605 1684 1HG2 ILE 103 1HG2 ILE 103 5.714 0.906 -6.620 1685 2HG2 ILE 103 2HG2 ILE 103 4.551 -0.441 -6.579 1686 3HG2 ILE 103 3HG2 ILE 103 4.340 0.951 -5.489 1687 1HD1 ILE 103 1HD1 ILE 103 6.954 -2.227 -7.469 1688 2HD1 ILE 103 2HD1 ILE 103 7.136 -0.500 -7.079 1689 3HD1 ILE 103 3HD1 ILE 103 8.351 -1.673 -6.515 1690 H ASP 104 H ASP 104 6.743 2.606 -5.924 1691 HA ASP 104 HA ASP 104 6.002 4.256 -3.643 1692 1HB ASP 104 1HB ASP 104 7.958 4.674 -5.541 1693 2HB ASP 104 2HB ASP 104 6.616 5.528 -6.277 1694 H TYR 105 H TYR 105 3.939 5.248 -3.675 1695 HA TYR 105 HA TYR 105 2.382 4.895 -6.149 1696 1HB TYR 105 1HB TYR 105 1.428 3.420 -4.505 1697 2HB TYR 105 2HB TYR 105 1.898 4.458 -3.174 1698 HD1 TYR 105 HD1 TYR 105 -0.189 4.611 -2.043 1699 HD2 TYR 105 HD2 TYR 105 0.049 5.569 -6.206 1700 HE1 TYR 105 HE1 TYR 105 -2.543 5.570 -1.965 1701 HE2 TYR 105 HE2 TYR 105 -2.305 6.524 -6.114 1702 HH TYR 105 HH TYR 105 -3.751 7.508 -3.588 1703 H LYS 106 H LYS 106 1.476 6.716 -7.000 1704 HA LYS 106 HA LYS 106 1.551 9.104 -5.290 1705 1HB LYS 106 1HB LYS 106 2.531 8.591 -7.986 1706 2HB LYS 106 2HB LYS 106 1.410 9.937 -7.957 1707 1HG LYS 106 1HG LYS 106 2.729 10.877 -5.974 1708 2HG LYS 106 2HG LYS 106 3.914 9.615 -6.242 1709 1HD LYS 106 1HD LYS 106 4.541 10.481 -8.378 1710 2HD LYS 106 2HD LYS 106 3.077 11.431 -8.527 1711 1HE LYS 106 1HE LYS 106 4.181 12.458 -6.188 1712 2HE LYS 106 2HE LYS 106 5.614 12.083 -7.125 1713 1HZ LYS 106 1HZ LYS 106 4.754 14.287 -7.578 1714 2HZ LYS 106 2HZ LYS 106 4.732 13.367 -8.927 1715 3HZ LYS 106 3HZ LYS 106 3.344 13.664 -8.119 1716 HA PRO 107 HA PRO 107 -2.743 9.219 -5.754 1717 1HB PRO 107 1HB PRO 107 -3.244 11.789 -4.970 1718 2HB PRO 107 2HB PRO 107 -2.980 10.476 -3.839 1719 1HG PRO 107 1HG PRO 107 -1.145 12.666 -4.597 1720 2HG PRO 107 2HG PRO 107 -1.082 11.617 -3.195 1721 1HD PRO 107 1HD PRO 107 0.550 11.438 -5.548 1722 2HD PRO 107 2HD PRO 107 0.532 10.322 -4.197 1723 H THR 108 H THR 108 -3.094 8.798 -7.917 1724 HA THR 108 HA THR 108 -3.657 11.263 -9.397 1725 HB THR 108 HB THR 108 -1.744 9.017 -10.121 1726 HG1 THR 108 HG1 THR 108 -1.955 11.928 -10.448 1727 1HG2 THR 108 1HG2 THR 108 -3.692 10.327 -11.922 1728 2HG2 THR 108 2HG2 THR 108 -2.005 10.654 -12.388 1729 3HG2 THR 108 3HG2 THR 108 -2.583 8.975 -12.258 1730 H SER 109 H SER 109 -5.864 10.785 -8.760 1731 HA SER 109 HA SER 109 -6.959 8.325 -9.675 1732 1HB SER 109 1HB SER 109 -9.163 9.550 -9.015 1733 2HB SER 109 2HB SER 109 -8.025 9.145 -7.745 1734 HG SER 109 HG SER 109 -8.288 11.721 -9.048 1735 H VAL 110 H VAL 110 -8.837 8.250 -11.245 1736 HA VAL 110 HA VAL 110 -8.265 10.046 -13.468 1737 HB VAL 110 HB VAL 110 -8.307 7.471 -13.555 1738 1HG1 VAL 110 1HG1 VAL 110 -10.419 7.115 -12.389 1739 2HG1 VAL 110 2HG1 VAL 110 -11.289 8.044 -13.633 1740 3HG1 VAL 110 3HG1 VAL 110 -10.524 6.493 -14.054 1741 1HG2 VAL 110 1HG2 VAL 110 -9.995 8.940 -15.603 1742 2HG2 VAL 110 2HG2 VAL 110 -8.223 9.075 -15.500 1743 3HG2 VAL 110 3HG2 VAL 110 -8.976 7.502 -15.854 1744 H SER 111 H SER 111 -9.790 11.443 -14.360 1745 HA SER 111 HA SER 111 -11.810 12.265 -12.591 1746 1HB SER 111 1HB SER 111 -12.344 13.442 -15.091 1747 2HB SER 111 2HB SER 111 -11.409 14.140 -13.784 1748 HG SER 111 HG SER 111 -10.553 13.105 -16.226 1749 H LEU 112 H LEU 112 -14.013 11.792 -12.572 1750 HA LEU 112 HA LEU 112 -14.939 10.019 -14.725 1751 1HB LEU 112 1HB LEU 112 -16.448 9.031 -13.053 1752 2HB LEU 112 2HB LEU 112 -14.749 8.762 -12.721 1753 HG LEU 112 HG LEU 112 -15.001 10.861 -11.159 1754 1HD1 LEU 112 1HD1 LEU 112 -17.257 11.467 -11.863 1755 2HD1 LEU 112 2HD1 LEU 112 -17.867 9.887 -11.317 1756 3HD1 LEU 112 3HD1 LEU 112 -17.219 11.048 -10.134 1757 1HD2 LEU 112 1HD2 LEU 112 -15.363 8.003 -10.781 1758 2HD2 LEU 112 2HD2 LEU 112 -14.482 9.189 -9.788 1759 3HD2 LEU 112 3HD2 LEU 112 -16.229 8.950 -9.547 Start of MODEL 2 1 1H GLY 1 1H GLY 1 -11.103 17.293 -1.191 2 1HA GLY 1 1HA GLY 1 -11.610 15.716 1.005 3 2HA GLY 1 2HA GLY 1 -9.993 15.274 0.493 4 H SER 2 H SER 2 -10.921 16.742 2.950 5 HA SER 2 HA SER 2 -8.863 18.541 3.107 6 1HB SER 2 1HB SER 2 -11.157 19.659 1.770 7 2HB SER 2 2HB SER 2 -11.032 20.425 3.341 8 HG SER 2 HG SER 2 -9.779 21.546 1.716 9 H HIS 3 H HIS 3 -12.367 18.313 4.081 10 HA HIS 3 HA HIS 3 -12.215 19.181 6.614 11 1HB HIS 3 1HB HIS 3 -13.873 17.125 5.227 12 2HB HIS 3 2HB HIS 3 -13.970 17.185 6.975 13 HD1 HIS 3 HD1 HIS 3 -15.628 18.507 4.132 14 HD2 HIS 3 HD2 HIS 3 -14.413 20.142 7.799 15 HE1 HIS 3 HE1 HIS 3 -17.030 20.611 4.476 16 HE2 HIS 3 HE2 HIS 3 -16.278 21.542 6.771 17 H MET 4 H MET 4 -11.905 15.658 5.745 18 HA MET 4 HA MET 4 -10.841 14.021 6.698 19 1HB MET 4 1HB MET 4 -9.025 16.354 6.925 20 2HB MET 4 2HB MET 4 -8.695 15.153 8.158 21 1HG MET 4 1HG MET 4 -7.543 13.969 6.597 22 2HG MET 4 2HG MET 4 -9.069 13.635 5.801 23 1HE MET 4 1HE MET 4 -6.564 16.964 5.997 24 2HE MET 4 2HE MET 4 -5.876 15.322 5.983 25 3HE MET 4 3HE MET 4 -5.726 16.363 4.546 26 H GLU 5 H GLU 5 -12.357 13.283 8.215 27 HA GLU 5 HA GLU 5 -12.191 14.516 10.843 28 1HB GLU 5 1HB GLU 5 -14.376 13.553 9.233 29 2HB GLU 5 2HB GLU 5 -14.308 12.569 10.682 30 1HG GLU 5 1HG GLU 5 -14.593 14.438 12.126 31 2HG GLU 5 2HG GLU 5 -14.081 15.585 10.904 32 H GLU 6 H GLU 6 -12.407 12.947 12.759 33 HA GLU 6 HA GLU 6 -10.548 10.802 12.269 34 1HB GLU 6 1HB GLU 6 -10.103 12.307 14.155 35 2HB GLU 6 2HB GLU 6 -11.682 11.982 14.842 36 1HG GLU 6 1HG GLU 6 -10.471 9.429 14.431 37 2HG GLU 6 2HG GLU 6 -9.218 10.447 15.112 38 H ALA 7 H ALA 7 -11.215 8.727 11.935 39 HA ALA 7 HA ALA 7 -13.304 7.586 13.467 40 1HB ALA 7 1HB ALA 7 -15.067 8.148 12.188 41 2HB ALA 7 2HB ALA 7 -14.013 8.900 10.966 42 3HB ALA 7 3HB ALA 7 -14.357 7.155 10.893 43 H LYS 8 H LYS 8 -13.861 5.297 12.273 44 HA LYS 8 HA LYS 8 -11.364 3.989 12.156 45 1HB LYS 8 1HB LYS 8 -12.642 1.987 11.905 46 2HB LYS 8 2HB LYS 8 -13.480 3.016 13.049 47 1HG LYS 8 1HG LYS 8 -14.457 3.719 10.444 48 2HG LYS 8 2HG LYS 8 -14.435 1.968 10.515 49 1HD LYS 8 1HD LYS 8 -16.242 1.939 11.887 50 2HD LYS 8 2HD LYS 8 -15.446 2.994 13.037 51 1HE LYS 8 1HE LYS 8 -16.204 4.988 11.871 52 2HE LYS 8 2HE LYS 8 -16.744 4.056 10.489 53 1HZ LYS 8 1HZ LYS 8 -18.558 3.325 11.606 54 2HZ LYS 8 2HZ LYS 8 -17.874 3.423 13.085 55 3HZ LYS 8 3HZ LYS 8 -18.388 4.777 12.332 56 H GLY 9 H GLY 9 -13.155 5.806 9.855 57 1HA GLY 9 1HA GLY 9 -11.698 4.487 7.642 58 2HA GLY 9 2HA GLY 9 -13.281 5.224 7.484 59 HA PRO 10 HA PRO 10 -12.656 5.499 5.569 60 1HB PRO 10 1HB PRO 10 -11.282 6.072 3.277 61 2HB PRO 10 2HB PRO 10 -12.754 6.901 3.745 62 1HG PRO 10 1HG PRO 10 -9.964 7.870 3.864 63 2HG PRO 10 2HG PRO 10 -11.451 8.796 3.915 64 1HD PRO 10 1HD PRO 10 -9.751 8.155 6.135 65 2HD PRO 10 2HD PRO 10 -11.296 8.980 6.202 66 H VAL 11 H VAL 11 -11.883 3.709 3.995 67 HA VAL 11 HA VAL 11 -9.447 2.647 5.250 68 HB VAL 11 HB VAL 11 -12.038 1.412 4.401 69 1HG1 VAL 11 1HG1 VAL 11 -9.421 -0.111 4.646 70 2HG1 VAL 11 2HG1 VAL 11 -11.037 -0.822 4.421 71 3HG1 VAL 11 3HG1 VAL 11 -10.318 0.181 3.137 72 1HG2 VAL 11 1HG2 VAL 11 -10.452 0.440 6.722 73 2HG2 VAL 11 2HG2 VAL 11 -11.086 2.100 6.831 74 3HG2 VAL 11 3HG2 VAL 11 -12.200 0.738 6.566 75 H LYS 12 H LYS 12 -7.762 2.000 3.937 76 HA LYS 12 HA LYS 12 -8.189 2.487 1.075 77 1HB LYS 12 1HB LYS 12 -5.911 2.990 2.941 78 2HB LYS 12 2HB LYS 12 -5.523 2.545 1.291 79 1HG LYS 12 1HG LYS 12 -7.682 4.496 1.272 80 2HG LYS 12 2HG LYS 12 -6.370 5.101 2.262 81 1HD LYS 12 1HD LYS 12 -4.812 4.362 0.282 82 2HD LYS 12 2HD LYS 12 -6.286 4.279 -0.663 83 1HE LYS 12 1HE LYS 12 -6.350 6.768 0.780 84 2HE LYS 12 2HE LYS 12 -4.750 6.621 0.081 85 1HZ LYS 12 1HZ LYS 12 -6.931 7.418 -1.238 86 2HZ LYS 12 2HZ LYS 12 -5.573 6.856 -1.950 87 3HZ LYS 12 3HZ LYS 12 -6.839 5.854 -1.700 88 H HIS 13 H HIS 13 -8.710 0.585 0.103 89 HA HIS 13 HA HIS 13 -7.512 -1.842 1.098 90 1HB HIS 13 1HB HIS 13 -9.651 -2.368 0.596 91 2HB HIS 13 2HB HIS 13 -9.808 -1.096 -0.600 92 HD1 HIS 13 HD1 HIS 13 -9.687 -4.673 -0.351 93 HD2 HIS 13 HD2 HIS 13 -8.255 -1.862 -3.116 94 HE1 HIS 13 HE1 HIS 13 -9.265 -5.953 -2.519 95 HE2 HIS 13 HE2 HIS 13 -8.439 -4.163 -4.195 96 H VAL 14 H VAL 14 -5.706 -2.784 0.273 97 HA VAL 14 HA VAL 14 -4.752 -1.718 -2.294 98 HB VAL 14 HB VAL 14 -3.310 -2.701 0.166 99 1HG1 VAL 14 1HG1 VAL 14 -1.985 -1.946 -2.453 100 2HG1 VAL 14 2HG1 VAL 14 -1.228 -2.626 -0.992 101 3HG1 VAL 14 3HG1 VAL 14 -2.321 -3.628 -1.976 102 1HG2 VAL 14 1HG2 VAL 14 -2.845 -0.114 -1.315 103 2HG2 VAL 14 2HG2 VAL 14 -4.163 -0.271 -0.129 104 3HG2 VAL 14 3HG2 VAL 14 -2.475 -0.527 0.377 105 H LEU 15 H LEU 15 -4.665 -3.111 -3.984 106 HA LEU 15 HA LEU 15 -4.593 -5.970 -3.335 107 1HB LEU 15 1HB LEU 15 -6.872 -5.480 -3.835 108 2HB LEU 15 2HB LEU 15 -6.434 -4.545 -5.251 109 HG LEU 15 HG LEU 15 -5.541 -7.372 -5.271 110 1HD1 LEU 15 1HD1 LEU 15 -8.087 -6.969 -4.328 111 2HD1 LEU 15 2HD1 LEU 15 -8.353 -7.152 -6.079 112 3HD1 LEU 15 3HD1 LEU 15 -7.509 -8.428 -5.168 113 1HD2 LEU 15 1HD2 LEU 15 -6.647 -7.079 -7.622 114 2HD2 LEU 15 2HD2 LEU 15 -6.596 -5.347 -7.216 115 3HD2 LEU 15 3HD2 LEU 15 -5.091 -6.296 -7.258 116 H LEU 16 H LEU 16 -3.179 -7.181 -4.560 117 HA LEU 16 HA LEU 16 -1.620 -5.629 -6.495 118 1HB LEU 16 1HB LEU 16 0.030 -6.339 -5.197 119 2HB LEU 16 2HB LEU 16 -0.974 -7.534 -4.401 120 HG LEU 16 HG LEU 16 -0.641 -8.950 -6.548 121 1HD1 LEU 16 1HD1 LEU 16 1.996 -7.869 -7.021 122 2HD1 LEU 16 2HD1 LEU 16 0.685 -8.223 -8.172 123 3HD1 LEU 16 3HD1 LEU 16 0.745 -6.646 -7.348 124 1HD2 LEU 16 1HD2 LEU 16 1.985 -8.910 -5.292 125 2HD2 LEU 16 2HD2 LEU 16 0.666 -8.825 -4.099 126 3HD2 LEU 16 3HD2 LEU 16 0.720 -10.163 -5.272 127 H ALA 17 H ALA 17 -1.077 -6.569 -8.554 128 HA ALA 17 HA ALA 17 -2.292 -9.055 -9.296 129 1HB ALA 17 1HB ALA 17 -4.205 -8.289 -10.190 130 2HB ALA 17 2HB ALA 17 -3.837 -6.678 -9.529 131 3HB ALA 17 3HB ALA 17 -3.307 -7.108 -11.173 132 H SER 18 H SER 18 -1.271 -9.923 -11.117 133 HA SER 18 HA SER 18 0.626 -8.124 -12.404 134 1HB SER 18 1HB SER 18 1.334 -11.029 -12.088 135 2HB SER 18 2HB SER 18 2.390 -9.634 -12.192 136 HG SER 18 HG SER 18 2.473 -10.290 -10.051 137 H PHE 19 H PHE 19 0.009 -7.929 -14.524 138 HA PHE 19 HA PHE 19 -1.779 -9.733 -15.723 139 1HB PHE 19 1HB PHE 19 0.065 -7.449 -16.569 140 2HB PHE 19 2HB PHE 19 -0.790 -8.346 -17.807 141 HD1 PHE 19 HD1 PHE 19 -3.120 -8.012 -18.184 142 HD2 PHE 19 HD2 PHE 19 -1.222 -6.157 -14.872 143 HE1 PHE 19 HE1 PHE 19 -5.143 -6.569 -17.833 144 HE2 PHE 19 HE2 PHE 19 -3.246 -4.715 -14.521 145 HZ PHE 19 HZ PHE 19 -5.182 -4.938 -16.005 146 H LYS 20 H LYS 20 -1.333 -11.771 -16.408 147 HA LYS 20 HA LYS 20 1.218 -12.807 -16.624 148 1HB LYS 20 1HB LYS 20 -0.041 -14.589 -18.042 149 2HB LYS 20 2HB LYS 20 -0.432 -14.392 -16.345 150 1HG LYS 20 1HG LYS 20 -2.475 -13.303 -16.793 151 2HG LYS 20 2HG LYS 20 -1.958 -12.750 -18.374 152 1HD LYS 20 1HD LYS 20 -3.070 -14.517 -19.263 153 2HD LYS 20 2HD LYS 20 -1.831 -15.554 -18.583 154 1HE LYS 20 1HE LYS 20 -3.485 -15.045 -16.380 155 2HE LYS 20 2HE LYS 20 -4.627 -15.148 -17.705 156 1HZ LYS 20 1HZ LYS 20 -2.906 -17.196 -18.133 157 2HZ LYS 20 2HZ LYS 20 -3.105 -17.204 -16.512 158 3HZ LYS 20 3HZ LYS 20 -4.404 -17.318 -17.495 159 H ASP 21 H ASP 21 2.540 -13.383 -18.453 160 HA ASP 21 HA ASP 21 2.721 -11.311 -20.297 161 1HB ASP 21 1HB ASP 21 4.392 -13.283 -19.414 162 2HB ASP 21 2HB ASP 21 3.929 -13.979 -20.954 163 H GLY 22 H GLY 22 1.266 -11.026 -21.998 164 1HA GLY 22 1HA GLY 22 0.892 -12.418 -24.182 165 2HA GLY 22 2HA GLY 22 -0.100 -13.372 -23.098 166 H VAL 23 H VAL 23 -0.640 -10.766 -21.466 167 HA VAL 23 HA VAL 23 -3.003 -10.079 -22.938 168 HB VAL 23 HB VAL 23 -1.825 -9.358 -20.266 169 1HG1 VAL 23 1HG1 VAL 23 -2.793 -7.296 -20.800 170 2HG1 VAL 23 2HG1 VAL 23 -4.134 -8.046 -21.698 171 3HG1 VAL 23 3HG1 VAL 23 -4.088 -8.145 -19.922 172 1HG2 VAL 23 1HG2 VAL 23 -3.989 -11.122 -21.298 173 2HG2 VAL 23 2HG2 VAL 23 -2.889 -11.339 -19.916 174 3HG2 VAL 23 3HG2 VAL 23 -4.308 -10.275 -19.765 175 H SER 24 H SER 24 -3.338 -8.314 -24.223 176 HA SER 24 HA SER 24 -1.171 -6.917 -25.171 177 1HB SER 24 1HB SER 24 -4.154 -6.307 -25.243 178 2HB SER 24 2HB SER 24 -2.977 -5.344 -26.114 179 HG SER 24 HG SER 24 -2.428 -7.913 -26.706 180 HA PRO 25 HA PRO 25 -0.699 -3.725 -22.249 181 1HB PRO 25 1HB PRO 25 0.622 -1.843 -23.727 182 2HB PRO 25 2HB PRO 25 1.417 -3.233 -23.014 183 1HG PRO 25 1HG PRO 25 0.695 -2.760 -25.841 184 2HG PRO 25 2HG PRO 25 1.840 -3.909 -25.178 185 1HD PRO 25 1HD PRO 25 -0.797 -4.481 -26.152 186 2HD PRO 25 2HD PRO 25 0.304 -5.607 -25.383 187 H GLU 26 H GLU 26 -2.067 -2.805 -25.332 188 HA GLU 26 HA GLU 26 -3.088 -0.386 -24.373 189 1HB GLU 26 1HB GLU 26 -3.073 -1.885 -26.840 190 2HB GLU 26 2HB GLU 26 -4.720 -1.381 -26.519 191 1HG GLU 26 1HG GLU 26 -3.763 0.977 -26.051 192 2HG GLU 26 2HG GLU 26 -2.251 0.395 -26.719 193 H LYS 27 H LYS 27 -4.132 -3.746 -24.147 194 HA LYS 27 HA LYS 27 -6.864 -3.133 -23.596 195 1HB LYS 27 1HB LYS 27 -5.767 -5.313 -24.542 196 2HB LYS 27 2HB LYS 27 -5.504 -5.713 -22.856 197 1HG LYS 27 1HG LYS 27 -7.782 -5.913 -22.393 198 2HG LYS 27 2HG LYS 27 -8.247 -4.731 -23.601 199 1HD LYS 27 1HD LYS 27 -7.055 -6.830 -25.083 200 2HD LYS 27 2HD LYS 27 -8.005 -7.644 -23.856 201 1HE LYS 27 1HE LYS 27 -9.721 -5.601 -24.708 202 2HE LYS 27 2HE LYS 27 -8.910 -6.066 -26.190 203 1HZ LYS 27 1HZ LYS 27 -9.731 -8.276 -24.578 204 2HZ LYS 27 2HZ LYS 27 -10.973 -7.365 -25.121 205 3HZ LYS 27 3HZ LYS 27 -9.921 -8.028 -26.181 206 H ILE 28 H ILE 28 -3.844 -3.529 -21.741 207 HA ILE 28 HA ILE 28 -5.000 -3.829 -19.223 208 HB ILE 28 HB ILE 28 -2.355 -2.911 -20.270 209 1HG1 ILE 28 1HG1 ILE 28 -2.733 -5.095 -18.271 210 2HG1 ILE 28 2HG1 ILE 28 -3.339 -5.375 -19.892 211 1HG2 ILE 28 1HG2 ILE 28 -3.241 -2.772 -17.378 212 2HG2 ILE 28 2HG2 ILE 28 -1.543 -2.757 -17.912 213 3HG2 ILE 28 3HG2 ILE 28 -2.641 -1.444 -18.400 214 1HD1 ILE 28 1HD1 ILE 28 -1.218 -5.936 -20.470 215 2HD1 ILE 28 2HD1 ILE 28 -0.809 -4.210 -20.314 216 3HD1 ILE 28 3HD1 ILE 28 -0.570 -5.309 -18.935 217 H GLU 29 H GLU 29 -4.063 -0.893 -21.110 218 HA GLU 29 HA GLU 29 -4.811 0.852 -19.041 219 1HB GLU 29 1HB GLU 29 -4.621 2.609 -20.830 220 2HB GLU 29 2HB GLU 29 -3.211 1.575 -20.715 221 1HG GLU 29 1HG GLU 29 -3.886 0.284 -22.659 222 2HG GLU 29 2HG GLU 29 -5.478 1.016 -22.676 223 H GLU 30 H GLU 30 -6.471 -0.587 -21.872 224 HA GLU 30 HA GLU 30 -8.681 1.086 -21.829 225 1HB GLU 30 1HB GLU 30 -7.955 -1.543 -23.021 226 2HB GLU 30 2HB GLU 30 -9.676 -1.290 -22.807 227 1HG GLU 30 1HG GLU 30 -8.571 1.159 -23.846 228 2HG GLU 30 2HG GLU 30 -7.929 -0.155 -24.812 229 H LEU 31 H LEU 31 -7.986 -2.057 -20.185 230 HA LEU 31 HA LEU 31 -10.534 -2.353 -19.063 231 1HB LEU 31 1HB LEU 31 -8.202 -3.816 -19.226 232 2HB LEU 31 2HB LEU 31 -8.302 -3.442 -17.516 233 HG LEU 31 HG LEU 31 -10.890 -4.307 -18.403 234 1HD1 LEU 31 1HD1 LEU 31 -9.776 -6.772 -18.782 235 2HD1 LEU 31 2HD1 LEU 31 -10.361 -5.699 -20.077 236 3HD1 LEU 31 3HD1 LEU 31 -8.633 -5.721 -19.652 237 1HD2 LEU 31 1HD2 LEU 31 -8.830 -5.104 -16.400 238 2HD2 LEU 31 2HD2 LEU 31 -10.539 -4.656 -16.181 239 3HD2 LEU 31 3HD2 LEU 31 -10.114 -6.274 -16.790 240 H ILE 32 H ILE 32 -7.466 -0.923 -17.765 241 HA ILE 32 HA ILE 32 -8.566 -0.221 -15.291 242 HB ILE 32 HB ILE 32 -6.207 0.812 -16.856 243 1HG1 ILE 32 1HG1 ILE 32 -6.168 -0.897 -14.371 244 2HG1 ILE 32 2HG1 ILE 32 -6.360 -1.614 -15.959 245 1HG2 ILE 32 1HG2 ILE 32 -6.767 1.361 -13.936 246 2HG2 ILE 32 2HG2 ILE 32 -5.463 2.017 -14.955 247 3HG2 ILE 32 3HG2 ILE 32 -7.149 2.510 -15.241 248 1HD1 ILE 32 1HD1 ILE 32 -3.973 -1.554 -15.292 249 2HD1 ILE 32 2HD1 ILE 32 -4.254 -0.533 -16.723 250 3HD1 ILE 32 3HD1 ILE 32 -4.063 0.216 -15.119 251 H LYS 33 H LYS 33 -8.573 1.336 -18.500 252 HA LYS 33 HA LYS 33 -9.361 3.877 -17.652 253 1HB LYS 33 1HB LYS 33 -9.187 2.371 -20.176 254 2HB LYS 33 2HB LYS 33 -10.451 3.584 -20.164 255 1HG LYS 33 1HG LYS 33 -7.634 4.222 -19.203 256 2HG LYS 33 2HG LYS 33 -8.065 4.328 -20.898 257 1HD LYS 33 1HD LYS 33 -9.677 5.754 -18.741 258 2HD LYS 33 2HD LYS 33 -8.271 6.494 -19.482 259 1HE LYS 33 1HE LYS 33 -9.285 6.518 -21.659 260 2HE LYS 33 2HE LYS 33 -10.521 5.367 -21.192 261 1HZ LYS 33 1HZ LYS 33 -11.769 7.011 -20.459 262 2HZ LYS 33 2HZ LYS 33 -10.583 7.635 -19.526 263 3HZ LYS 33 3HZ LYS 33 -10.708 8.079 -21.093 264 H GLY 34 H GLY 34 -11.232 0.916 -18.523 265 1HA GLY 34 1HA GLY 34 -13.780 2.131 -18.260 266 2HA GLY 34 2HA GLY 34 -13.415 0.417 -18.276 267 H TYR 35 H TYR 35 -11.798 0.008 -16.067 268 HA TYR 35 HA TYR 35 -13.502 -0.287 -13.998 269 1HB TYR 35 1HB TYR 35 -10.862 -0.765 -14.554 270 2HB TYR 35 2HB TYR 35 -10.638 0.621 -13.506 271 HD1 TYR 35 HD1 TYR 35 -9.829 -2.406 -13.154 272 HD2 TYR 35 HD2 TYR 35 -13.019 0.004 -11.632 273 HE1 TYR 35 HE1 TYR 35 -10.006 -3.914 -11.115 274 HE2 TYR 35 HE2 TYR 35 -13.185 -1.512 -9.598 275 HH TYR 35 HH TYR 35 -10.891 -3.455 -8.609 276 H ALA 36 H ALA 36 -11.309 2.555 -14.541 277 HA ALA 36 HA ALA 36 -11.972 3.928 -12.236 278 1HB ALA 36 1HB ALA 36 -11.299 5.951 -13.695 279 2HB ALA 36 2HB ALA 36 -10.101 4.650 -13.495 280 3HB ALA 36 3HB ALA 36 -11.047 4.765 -14.998 281 H ASN 37 H ASN 37 -13.685 3.576 -15.350 282 HA ASN 37 HA ASN 37 -15.490 5.674 -14.796 283 1HB ASN 37 1HB ASN 37 -14.858 4.609 -17.100 284 2HB ASN 37 2HB ASN 37 -15.974 3.324 -16.686 285 1HD2 ASN 37 1HD2 ASN 37 -18.180 3.964 -16.055 286 2HD2 ASN 37 2HD2 ASN 37 -18.938 5.290 -16.871 287 H LEU 38 H LEU 38 -15.280 2.143 -14.258 288 HA LEU 38 HA LEU 38 -18.001 1.721 -13.667 289 1HB LEU 38 1HB LEU 38 -15.453 0.237 -13.446 290 2HB LEU 38 2HB LEU 38 -16.720 -0.256 -12.340 291 HG LEU 38 HG LEU 38 -17.738 0.043 -15.054 292 1HD1 LEU 38 1HD1 LEU 38 -15.944 -2.312 -14.923 293 2HD1 LEU 38 2HD1 LEU 38 -16.416 -1.294 -16.304 294 3HD1 LEU 38 3HD1 LEU 38 -15.159 -0.734 -15.174 295 1HD2 LEU 38 1HD2 LEU 38 -19.088 -1.135 -13.576 296 2HD2 LEU 38 2HD2 LEU 38 -18.333 -2.423 -14.545 297 3HD2 LEU 38 3HD2 LEU 38 -17.726 -2.068 -12.910 298 H VAL 39 H VAL 39 -15.202 2.913 -11.823 299 HA VAL 39 HA VAL 39 -16.392 2.567 -9.279 300 HB VAL 39 HB VAL 39 -14.138 4.285 -10.324 301 1HG1 VAL 39 1HG1 VAL 39 -15.296 5.198 -8.236 302 2HG1 VAL 39 2HG1 VAL 39 -14.707 3.741 -7.401 303 3HG1 VAL 39 3HG1 VAL 39 -13.547 4.889 -8.113 304 1HG2 VAL 39 1HG2 VAL 39 -14.390 1.505 -9.530 305 2HG2 VAL 39 2HG2 VAL 39 -13.020 2.352 -10.286 306 3HG2 VAL 39 3HG2 VAL 39 -13.198 2.353 -8.515 307 H ASN 40 H ASN 40 -16.574 5.013 -11.847 308 HA ASN 40 HA ASN 40 -17.650 7.005 -10.175 309 1HB ASN 40 1HB ASN 40 -16.588 7.665 -12.268 310 2HB ASN 40 2HB ASN 40 -17.605 6.586 -13.202 311 1HD2 ASN 40 1HD2 ASN 40 -19.129 7.542 -14.291 312 2HD2 ASN 40 2HD2 ASN 40 -19.997 8.977 -13.860 313 H LEU 41 H LEU 41 -18.908 4.442 -12.383 314 HA LEU 41 HA LEU 41 -21.605 5.264 -12.266 315 1HB LEU 41 1HB LEU 41 -20.158 3.571 -13.803 316 2HB LEU 41 2HB LEU 41 -20.967 2.420 -12.758 317 HG LEU 41 HG LEU 41 -22.281 2.660 -14.727 318 1HD1 LEU 41 1HD1 LEU 41 -23.936 4.406 -12.992 319 2HD1 LEU 41 2HD1 LEU 41 -24.307 2.835 -13.743 320 3HD1 LEU 41 3HD1 LEU 41 -23.325 2.903 -12.260 321 1HD2 LEU 41 1HD2 LEU 41 -21.407 4.755 -15.570 322 2HD2 LEU 41 2HD2 LEU 41 -23.184 4.827 -15.494 323 3HD2 LEU 41 3HD2 LEU 41 -22.206 5.653 -14.257 324 H ILE 42 H ILE 42 -19.800 2.576 -10.612 325 HA ILE 42 HA ILE 42 -21.865 1.694 -9.043 326 HB ILE 42 HB ILE 42 -18.901 1.809 -8.490 327 1HG1 ILE 42 1HG1 ILE 42 -19.928 0.570 -10.551 328 2HG1 ILE 42 2HG1 ILE 42 -18.693 -0.203 -9.577 329 1HG2 ILE 42 1HG2 ILE 42 -21.030 0.163 -7.095 330 2HG2 ILE 42 2HG2 ILE 42 -19.272 0.043 -6.845 331 3HG2 ILE 42 3HG2 ILE 42 -20.135 1.533 -6.395 332 1HD1 ILE 42 1HD1 ILE 42 -21.675 -0.591 -9.072 333 2HD1 ILE 42 2HD1 ILE 42 -20.711 -1.664 -10.116 334 3HD1 ILE 42 3HD1 ILE 42 -20.329 -1.530 -8.382 335 H GLU 43 H GLU 43 -23.242 3.076 -8.005 336 HA GLU 43 HA GLU 43 -22.752 5.519 -7.080 337 1HB GLU 43 1HB GLU 43 -24.754 3.497 -6.671 338 2HB GLU 43 2HB GLU 43 -24.418 4.223 -5.113 339 1HG GLU 43 1HG GLU 43 -24.623 6.195 -7.326 340 2HG GLU 43 2HG GLU 43 -26.100 5.295 -7.049 341 HA PRO 44 HA PRO 44 -21.144 3.776 -2.972 342 1HB PRO 44 1HB PRO 44 -20.672 1.097 -2.706 343 2HB PRO 44 2HB PRO 44 -22.156 1.866 -2.179 344 1HG PRO 44 1HG PRO 44 -21.688 0.176 -4.559 345 2HG PRO 44 2HG PRO 44 -23.207 0.593 -3.790 346 1HD PRO 44 1HD PRO 44 -22.148 1.704 -6.214 347 2HD PRO 44 2HD PRO 44 -23.608 2.202 -5.383 348 H MET 45 H MET 45 -19.470 5.066 -3.943 349 HA MET 45 HA MET 45 -17.031 3.874 -3.633 350 1HB MET 45 1HB MET 45 -18.256 3.273 -6.195 351 2HB MET 45 2HB MET 45 -16.907 4.351 -6.495 352 1HG MET 45 1HG MET 45 -15.318 2.839 -5.606 353 2HG MET 45 2HG MET 45 -16.506 2.000 -4.629 354 1HE MET 45 1HE MET 45 -14.809 0.069 -7.952 355 2HE MET 45 2HE MET 45 -14.199 1.443 -6.999 356 3HE MET 45 3HE MET 45 -14.730 -0.044 -6.177 357 H LYS 46 H LYS 46 -15.235 5.378 -4.082 358 HA LYS 46 HA LYS 46 -16.251 8.108 -4.371 359 1HB LYS 46 1HB LYS 46 -14.469 6.862 -2.530 360 2HB LYS 46 2HB LYS 46 -13.526 7.994 -3.477 361 1HG LYS 46 1HG LYS 46 -14.335 9.580 -2.050 362 2HG LYS 46 2HG LYS 46 -15.804 9.486 -3.000 363 1HD LYS 46 1HD LYS 46 -16.933 8.719 -1.194 364 2HD LYS 46 2HD LYS 46 -15.895 7.309 -1.135 365 1HE LYS 46 1HE LYS 46 -14.299 9.384 -0.067 366 2HE LYS 46 2HE LYS 46 -15.895 9.690 0.591 367 1HZ LYS 46 1HZ LYS 46 -15.274 8.141 2.043 368 2HZ LYS 46 2HZ LYS 46 -15.694 7.063 0.891 369 3HZ LYS 46 3HZ LYS 46 -14.129 7.490 1.078 370 H ALA 47 H ALA 47 -12.951 6.776 -4.947 371 HA ALA 47 HA ALA 47 -13.253 7.302 -7.789 372 1HB ALA 47 1HB ALA 47 -12.206 9.256 -6.077 373 2HB ALA 47 2HB ALA 47 -10.770 8.462 -6.766 374 3HB ALA 47 3HB ALA 47 -11.997 9.173 -7.842 375 H PHE 48 H PHE 48 -11.446 6.354 -9.046 376 HA PHE 48 HA PHE 48 -10.389 4.046 -7.610 377 1HB PHE 48 1HB PHE 48 -11.785 4.057 -9.850 378 2HB PHE 48 2HB PHE 48 -10.347 4.715 -10.605 379 HD1 PHE 48 HD1 PHE 48 -10.710 2.032 -8.038 380 HD2 PHE 48 HD2 PHE 48 -9.503 3.053 -11.976 381 HE1 PHE 48 HE1 PHE 48 -9.820 -0.292 -8.368 382 HE2 PHE 48 HE2 PHE 48 -8.613 0.730 -12.306 383 HZ PHE 48 HZ PHE 48 -8.782 -0.915 -10.498 384 H HIS 49 H HIS 49 -8.342 4.204 -6.832 385 HA HIS 49 HA HIS 49 -6.507 5.926 -8.327 386 1HB HIS 49 1HB HIS 49 -7.120 5.673 -5.521 387 2HB HIS 49 2HB HIS 49 -5.432 5.282 -5.785 388 HD1 HIS 49 HD1 HIS 49 -7.442 8.082 -4.995 389 HD2 HIS 49 HD2 HIS 49 -4.255 7.477 -7.655 390 HE1 HIS 49 HE1 HIS 49 -6.480 10.392 -5.495 391 HE2 HIS 49 HE2 HIS 49 -4.492 9.951 -7.092 392 H TRP 50 H TRP 50 -4.619 5.077 -9.168 393 HA TRP 50 HA TRP 50 -3.998 2.306 -8.442 394 1HB TRP 50 1HB TRP 50 -3.917 1.547 -10.609 395 2HB TRP 50 2HB TRP 50 -5.362 2.539 -10.605 396 HD1 TRP 50 HD1 TRP 50 -4.734 5.273 -11.515 397 HE1 TRP 50 HE1 TRP 50 -3.382 6.013 -13.657 398 HE3 TRP 50 HE3 TRP 50 -2.249 0.877 -12.108 399 HZ2 TRP 50 HZ2 TRP 50 -1.468 4.705 -15.322 400 HZ3 TRP 50 HZ3 TRP 50 -0.657 0.691 -14.017 401 HH2 TRP 50 HH2 TRP 50 -0.249 2.515 -15.593 402 H GLY 51 H GLY 51 -1.760 1.910 -8.319 403 1HA GLY 51 1HA GLY 51 0.048 4.037 -9.230 404 2HA GLY 51 2HA GLY 51 0.042 3.612 -7.530 405 H LYS 52 H LYS 52 1.968 3.217 -10.008 406 HA LYS 52 HA LYS 52 2.464 0.374 -9.451 407 1HB LYS 52 1HB LYS 52 3.365 0.186 -11.731 408 2HB LYS 52 2HB LYS 52 1.667 0.617 -11.725 409 1HG LYS 52 1HG LYS 52 2.176 2.403 -13.024 410 2HG LYS 52 2HG LYS 52 3.021 3.101 -11.657 411 1HD LYS 52 1HD LYS 52 4.699 3.055 -13.312 412 2HD LYS 52 2HD LYS 52 5.041 1.603 -12.393 413 1HE LYS 52 1HE LYS 52 4.584 0.248 -14.170 414 2HE LYS 52 2HE LYS 52 3.074 1.070 -14.509 415 1HZ LYS 52 1HZ LYS 52 4.369 1.544 -16.321 416 2HZ LYS 52 2HZ LYS 52 4.592 2.888 -15.420 417 3HZ LYS 52 3HZ LYS 52 5.747 1.734 -15.465 418 H ASP 53 H ASP 53 4.743 -0.261 -9.399 419 HA ASP 53 HA ASP 53 6.248 1.223 -7.783 420 1HB ASP 53 1HB ASP 53 6.575 -1.174 -8.941 421 2HB ASP 53 2HB ASP 53 7.646 -0.280 -10.001 422 H VAL 54 H VAL 54 7.943 2.825 -8.036 423 HA VAL 54 HA VAL 54 8.011 4.054 -10.704 424 HB VAL 54 HB VAL 54 8.422 5.302 -7.980 425 1HG1 VAL 54 1HG1 VAL 54 9.697 6.626 -9.403 426 2HG1 VAL 54 2HG1 VAL 54 8.611 6.367 -10.790 427 3HG1 VAL 54 3HG1 VAL 54 8.113 7.435 -9.456 428 1HG2 VAL 54 1HG2 VAL 54 6.270 6.335 -8.244 429 2HG2 VAL 54 2HG2 VAL 54 6.095 5.679 -9.889 430 3HG2 VAL 54 3HG2 VAL 54 6.068 4.583 -8.487 431 H SER 55 H SER 55 9.869 3.677 -11.786 432 HA SER 55 HA SER 55 11.907 2.894 -12.109 433 1HB SER 55 1HB SER 55 11.926 5.536 -11.014 434 2HB SER 55 2HB SER 55 13.331 4.719 -10.359 435 HG SER 55 HG SER 55 13.529 3.997 -12.808 436 H ILE 56 H ILE 56 11.703 0.803 -11.019 437 HA ILE 56 HA ILE 56 12.878 0.751 -8.336 438 HB ILE 56 HB ILE 56 10.613 -0.173 -8.612 439 1HG1 ILE 56 1HG1 ILE 56 11.226 -2.500 -7.644 440 2HG1 ILE 56 2HG1 ILE 56 12.890 -1.966 -7.779 441 1HG2 ILE 56 1HG2 ILE 56 11.983 -1.812 -10.703 442 2HG2 ILE 56 2HG2 ILE 56 10.674 -2.556 -9.753 443 3HG2 ILE 56 3HG2 ILE 56 10.361 -1.079 -10.696 444 1HD1 ILE 56 1HD1 ILE 56 12.115 0.182 -6.518 445 2HD1 ILE 56 2HD1 ILE 56 10.659 -0.758 -6.111 446 3HD1 ILE 56 3HD1 ILE 56 12.261 -1.325 -5.581 447 H GLU 57 H GLU 57 13.526 0.228 -11.673 448 HA GLU 57 HA GLU 57 15.148 -0.718 -12.769 449 1HB GLU 57 1HB GLU 57 16.355 0.387 -10.360 450 2HB GLU 57 2HB GLU 57 17.270 -1.008 -10.896 451 1HG GLU 57 1HG GLU 57 17.192 0.032 -13.269 452 2HG GLU 57 2HG GLU 57 16.597 1.492 -12.503 453 H ASN 58 H ASN 58 13.308 -2.583 -11.930 454 HA ASN 58 HA ASN 58 13.036 -4.733 -11.795 455 1HB ASN 58 1HB ASN 58 16.066 -5.130 -11.692 456 2HB ASN 58 2HB ASN 58 14.867 -6.296 -12.217 457 1HD2 ASN 58 1HD2 ASN 58 13.817 -6.053 -14.191 458 2HD2 ASN 58 2HD2 ASN 58 14.430 -5.052 -15.465 459 H LEU 59 H LEU 59 12.166 -4.775 -9.653 460 HA LEU 59 HA LEU 59 13.561 -6.155 -7.703 461 1HB LEU 59 1HB LEU 59 14.414 -3.498 -7.816 462 2HB LEU 59 2HB LEU 59 13.300 -3.546 -6.464 463 HG LEU 59 HG LEU 59 15.571 -3.911 -5.707 464 1HD1 LEU 59 1HD1 LEU 59 13.468 -5.946 -5.381 465 2HD1 LEU 59 2HD1 LEU 59 15.105 -6.486 -4.935 466 3HD1 LEU 59 3HD1 LEU 59 14.403 -5.043 -4.164 467 1HD2 LEU 59 1HD2 LEU 59 15.593 -6.213 -7.669 468 2HD2 LEU 59 2HD2 LEU 59 16.648 -4.780 -7.645 469 3HD2 LEU 59 3HD2 LEU 59 16.787 -6.009 -6.365 470 H HIS 60 H HIS 60 11.111 -6.470 -8.894 471 HA HIS 60 HA HIS 60 9.363 -5.917 -6.630 472 1HB HIS 60 1HB HIS 60 7.572 -5.147 -7.986 473 2HB HIS 60 2HB HIS 60 8.981 -4.187 -8.389 474 HD1 HIS 60 HD1 HIS 60 6.374 -6.265 -9.900 475 HD2 HIS 60 HD2 HIS 60 10.254 -5.047 -10.927 476 HE1 HIS 60 HE1 HIS 60 6.611 -6.672 -12.408 477 HE2 HIS 60 HE2 HIS 60 8.995 -5.854 -12.990 478 H GLN 61 H GLN 61 7.727 -7.523 -6.298 479 HA GLN 61 HA GLN 61 8.379 -9.980 -7.698 480 1HB GLN 61 1HB GLN 61 7.833 -9.330 -4.957 481 2HB GLN 61 2HB GLN 61 6.541 -10.381 -5.502 482 1HG GLN 61 1HG GLN 61 8.524 -11.632 -4.571 483 2HG GLN 61 2HG GLN 61 8.117 -12.095 -6.212 484 1HE2 GLN 61 1HE2 GLN 61 10.304 -10.276 -4.173 485 2HE2 GLN 61 2HE2 GLN 61 11.618 -10.128 -5.291 486 H GLY 62 H GLY 62 6.672 -7.721 -8.780 487 1HA GLY 62 1HA GLY 62 4.981 -8.228 -10.403 488 2HA GLY 62 2HA GLY 62 4.238 -9.328 -9.258 489 H TYR 63 H TYR 63 5.119 -7.044 -7.152 490 HA TYR 63 HA TYR 63 2.560 -5.967 -6.868 491 1HB TYR 63 1HB TYR 63 5.354 -5.000 -5.990 492 2HB TYR 63 2HB TYR 63 3.858 -4.469 -5.249 493 HD1 TYR 63 HD1 TYR 63 6.541 -6.331 -4.509 494 HD2 TYR 63 HD2 TYR 63 2.305 -6.854 -4.808 495 HE1 TYR 63 HE1 TYR 63 6.658 -8.272 -2.871 496 HE2 TYR 63 HE2 TYR 63 2.437 -8.793 -3.168 497 HH TYR 63 HH TYR 63 5.462 -10.157 -2.229 498 H THR 64 H THR 64 5.145 -5.138 -9.038 499 HA THR 64 HA THR 64 5.167 -2.488 -9.331 500 HB THR 64 HB THR 64 5.073 -4.794 -11.302 501 HG1 THR 64 HG1 THR 64 6.944 -2.644 -10.600 502 1HG2 THR 64 1HG2 THR 64 4.627 -3.374 -13.042 503 2HG2 THR 64 2HG2 THR 64 4.592 -1.967 -11.953 504 3HG2 THR 64 3HG2 THR 64 6.139 -2.530 -12.629 505 H HIS 65 H HIS 65 2.357 -4.578 -9.934 506 HA HIS 65 HA HIS 65 0.889 -2.148 -10.665 507 1HB HIS 65 1HB HIS 65 0.487 -5.032 -11.478 508 2HB HIS 65 2HB HIS 65 -0.763 -3.819 -11.674 509 HD1 HIS 65 HD1 HIS 65 2.640 -4.814 -12.986 510 HD2 HIS 65 HD2 HIS 65 -0.362 -1.993 -13.777 511 HE1 HIS 65 HE1 HIS 65 3.232 -3.749 -15.227 512 HE2 HIS 65 HE2 HIS 65 1.324 -2.064 -15.687 513 H ILE 66 H ILE 66 -0.798 -1.511 -9.369 514 HA ILE 66 HA ILE 66 -1.863 -3.446 -7.479 515 HB ILE 66 HB ILE 66 -0.237 -1.055 -6.776 516 1HG1 ILE 66 1HG1 ILE 66 -0.599 -3.864 -5.735 517 2HG1 ILE 66 2HG1 ILE 66 0.834 -3.129 -6.427 518 1HG2 ILE 66 1HG2 ILE 66 -2.548 -2.017 -5.067 519 2HG2 ILE 66 2HG2 ILE 66 -1.344 -0.779 -4.635 520 3HG2 ILE 66 3HG2 ILE 66 -2.491 -0.480 -5.962 521 1HD1 ILE 66 1HD1 ILE 66 0.718 -1.456 -4.426 522 2HD1 ILE 66 2HD1 ILE 66 -0.403 -2.633 -3.700 523 3HD1 ILE 66 3HD1 ILE 66 1.264 -3.118 -4.094 524 H PHE 67 H PHE 67 -3.962 -2.800 -6.617 525 HA PHE 67 HA PHE 67 -5.152 -0.585 -8.126 526 1HB PHE 67 1HB PHE 67 -6.189 -3.420 -7.528 527 2HB PHE 67 2HB PHE 67 -7.212 -2.157 -8.182 528 HD1 PHE 67 HD1 PHE 67 -5.345 -4.931 -9.040 529 HD2 PHE 67 HD2 PHE 67 -6.099 -0.966 -10.351 530 HE1 PHE 67 HE1 PHE 67 -4.643 -5.566 -11.365 531 HE2 PHE 67 HE2 PHE 67 -5.397 -1.600 -12.675 532 HZ PHE 67 HZ PHE 67 -4.678 -3.893 -13.155 533 H GLU 68 H GLU 68 -5.639 0.942 -6.612 534 HA GLU 68 HA GLU 68 -6.676 -0.057 -4.078 535 1HB GLU 68 1HB GLU 68 -5.375 2.621 -4.743 536 2HB GLU 68 2HB GLU 68 -6.014 2.190 -3.169 537 1HG GLU 68 1HG GLU 68 -4.432 0.073 -3.398 538 2HG GLU 68 2HG GLU 68 -3.614 1.033 -4.615 539 H SER 69 H SER 69 -8.714 0.597 -3.351 540 HA SER 69 HA SER 69 -10.101 2.439 -5.138 541 1HB SER 69 1HB SER 69 -12.198 1.104 -4.585 542 2HB SER 69 2HB SER 69 -11.028 0.276 -5.593 543 HG SER 69 HG SER 69 -10.194 -0.701 -3.532 544 H THR 70 H THR 70 -11.301 4.083 -4.129 545 HA THR 70 HA THR 70 -10.921 4.287 -1.247 546 HB THR 70 HB THR 70 -11.858 6.227 -3.425 547 HG1 THR 70 HG1 THR 70 -9.664 6.507 -3.485 548 1HG2 THR 70 1HG2 THR 70 -11.335 7.955 -1.617 549 2HG2 THR 70 2HG2 THR 70 -12.804 7.000 -1.299 550 3HG2 THR 70 3HG2 THR 70 -11.291 6.619 -0.442 551 H PHE 71 H PHE 71 -12.433 3.844 0.228 552 HA PHE 71 HA PHE 71 -15.205 3.769 -0.733 553 1HB PHE 71 1HB PHE 71 -13.678 1.939 1.216 554 2HB PHE 71 2HB PHE 71 -15.406 1.829 0.946 555 HD1 PHE 71 HD1 PHE 71 -12.703 0.041 0.336 556 HD2 PHE 71 HD2 PHE 71 -15.687 2.032 -1.931 557 HE1 PHE 71 HE1 PHE 71 -12.305 -1.538 -1.575 558 HE2 PHE 71 HE2 PHE 71 -15.289 0.453 -3.842 559 HZ PHE 71 HZ PHE 71 -13.603 -1.313 -3.641 560 H GLU 72 H GLU 72 -16.785 3.766 1.247 561 HA GLU 72 HA GLU 72 -16.003 6.022 2.818 562 1HB GLU 72 1HB GLU 72 -18.373 5.280 1.705 563 2HB GLU 72 2HB GLU 72 -18.610 4.635 3.317 564 1HG GLU 72 1HG GLU 72 -18.830 6.711 4.245 565 2HG GLU 72 2HG GLU 72 -17.451 7.347 3.372 566 H SER 73 H SER 73 -16.455 2.515 3.189 567 HA SER 73 HA SER 73 -14.953 2.439 5.497 568 1HB SER 73 1HB SER 73 -17.939 2.593 5.911 569 2HB SER 73 2HB SER 73 -17.003 1.548 6.962 570 HG SER 73 HG SER 73 -15.991 3.264 7.872 571 H LYS 74 H LYS 74 -15.705 0.092 6.718 572 HA LYS 74 HA LYS 74 -15.293 -1.794 4.618 573 1HB LYS 74 1HB LYS 74 -15.139 -3.418 6.435 574 2HB LYS 74 2HB LYS 74 -14.149 -2.009 6.758 575 1HG LYS 74 1HG LYS 74 -16.713 -1.407 7.849 576 2HG LYS 74 2HG LYS 74 -16.390 -3.069 8.300 577 1HD LYS 74 1HD LYS 74 -14.266 -0.924 8.661 578 2HD LYS 74 2HD LYS 74 -15.520 -1.151 9.864 579 1HE LYS 74 1HE LYS 74 -14.635 -3.142 10.610 580 2HE LYS 74 2HE LYS 74 -14.209 -3.679 8.997 581 1HZ LYS 74 1HZ LYS 74 -12.401 -2.964 10.684 582 2HZ LYS 74 2HZ LYS 74 -12.223 -2.620 9.097 583 3HZ LYS 74 3HZ LYS 74 -12.723 -1.461 10.133 584 H GLU 75 H GLU 75 -18.034 -0.535 6.466 585 HA GLU 75 HA GLU 75 -19.729 -2.707 5.922 586 1HB GLU 75 1HB GLU 75 -20.326 0.184 6.687 587 2HB GLU 75 2HB GLU 75 -21.542 -1.076 6.616 588 1HG GLU 75 1HG GLU 75 -19.784 -2.373 8.193 589 2HG GLU 75 2HG GLU 75 -19.263 -0.741 8.563 590 H ALA 76 H ALA 76 -18.958 0.390 4.282 591 HA ALA 76 HA ALA 76 -21.061 0.228 2.401 592 1HB ALA 76 1HB ALA 76 -19.760 2.285 3.092 593 2HB ALA 76 2HB ALA 76 -18.388 1.657 2.147 594 3HB ALA 76 3HB ALA 76 -19.918 2.064 1.333 595 H VAL 77 H VAL 77 -17.570 -0.732 2.380 596 HA VAL 77 HA VAL 77 -17.412 -1.538 -0.244 597 HB VAL 77 HB VAL 77 -15.786 -1.487 1.950 598 1HG1 VAL 77 1HG1 VAL 77 -16.708 -3.715 2.654 599 2HG1 VAL 77 2HG1 VAL 77 -16.011 -4.411 1.172 600 3HG1 VAL 77 3HG1 VAL 77 -14.946 -3.692 2.404 601 1HG2 VAL 77 1HG2 VAL 77 -14.027 -2.053 0.461 602 2HG2 VAL 77 2HG2 VAL 77 -15.103 -3.036 -0.561 603 3HG2 VAL 77 3HG2 VAL 77 -15.274 -1.264 -0.535 604 H ALA 78 H ALA 78 -18.945 -3.093 2.567 605 HA ALA 78 HA ALA 78 -19.134 -5.678 1.593 606 1HB ALA 78 1HB ALA 78 -21.233 -4.216 3.234 607 2HB ALA 78 2HB ALA 78 -20.842 -5.952 3.255 608 3HB ALA 78 3HB ALA 78 -19.683 -4.770 3.909 609 H GLU 79 H GLU 79 -21.347 -2.837 1.165 610 HA GLU 79 HA GLU 79 -23.200 -4.240 -0.353 611 1HB GLU 79 1HB GLU 79 -22.826 -1.573 0.611 612 2HB GLU 79 2HB GLU 79 -23.107 -1.444 -1.114 613 1HG GLU 79 1HG GLU 79 -25.163 -2.847 -0.892 614 2HG GLU 79 2HG GLU 79 -24.879 -2.998 0.831 615 H TYR 80 H TYR 80 -20.306 -2.271 -1.242 616 HA TYR 80 HA TYR 80 -20.682 -2.279 -3.991 617 1HB TYR 80 1HB TYR 80 -18.973 -0.881 -3.027 618 2HB TYR 80 2HB TYR 80 -18.396 -2.162 -1.979 619 HD1 TYR 80 HD1 TYR 80 -18.715 -1.541 -5.676 620 HD2 TYR 80 HD2 TYR 80 -16.297 -3.005 -2.464 621 HE1 TYR 80 HE1 TYR 80 -16.833 -2.040 -7.310 622 HE2 TYR 80 HE2 TYR 80 -14.424 -3.499 -4.109 623 HH TYR 80 HH TYR 80 -14.853 -2.848 -7.579 624 H ILE 81 H ILE 81 -18.939 -4.629 -1.852 625 HA ILE 81 HA ILE 81 -18.170 -6.260 -4.048 626 HB ILE 81 HB ILE 81 -18.143 -6.589 -1.056 627 1HG1 ILE 81 1HG1 ILE 81 -15.857 -6.369 -3.031 628 2HG1 ILE 81 2HG1 ILE 81 -16.560 -4.990 -2.209 629 1HG2 ILE 81 1HG2 ILE 81 -17.220 -8.574 -3.152 630 2HG2 ILE 81 2HG2 ILE 81 -16.813 -8.649 -1.421 631 3HG2 ILE 81 3HG2 ILE 81 -18.507 -8.803 -1.944 632 1HD1 ILE 81 1HD1 ILE 81 -16.152 -6.404 -0.014 633 2HD1 ILE 81 2HD1 ILE 81 -15.006 -7.305 -1.035 634 3HD1 ILE 81 3HD1 ILE 81 -14.785 -5.558 -0.778 635 H ALA 82 H ALA 82 -21.105 -5.766 -2.270 636 HA ALA 82 HA ALA 82 -22.094 -8.434 -2.790 637 1HB ALA 82 1HB ALA 82 -22.912 -6.025 -1.243 638 2HB ALA 82 2HB ALA 82 -24.236 -7.014 -1.903 639 3HB ALA 82 3HB ALA 82 -23.029 -7.750 -0.822 640 H HIS 83 H HIS 83 -21.347 -6.010 -4.801 641 HA HIS 83 HA HIS 83 -23.886 -5.891 -6.188 642 1HB HIS 83 1HB HIS 83 -21.889 -4.057 -5.802 643 2HB HIS 83 2HB HIS 83 -21.502 -4.646 -7.407 644 HD1 HIS 83 HD1 HIS 83 -23.259 -4.206 -9.321 645 HD2 HIS 83 HD2 HIS 83 -24.232 -2.506 -5.612 646 HE1 HIS 83 HE1 HIS 83 -25.133 -2.534 -9.771 647 HE2 HIS 83 HE2 HIS 83 -25.726 -1.561 -7.447 648 HA PRO 84 HA PRO 84 -22.701 -9.166 -8.787 649 1HB PRO 84 1HB PRO 84 -24.808 -9.085 -10.526 650 2HB PRO 84 2HB PRO 84 -24.877 -9.895 -8.974 651 1HG PRO 84 1HG PRO 84 -26.073 -7.311 -9.771 652 2HG PRO 84 2HG PRO 84 -26.470 -8.328 -8.400 653 1HD PRO 84 1HD PRO 84 -24.935 -5.905 -8.352 654 2HD PRO 84 2HD PRO 84 -25.235 -6.983 -7.004 655 H ALA 85 H ALA 85 -23.560 -6.059 -10.133 656 HA ALA 85 HA ALA 85 -22.552 -6.470 -12.677 657 1HB ALA 85 1HB ALA 85 -22.355 -3.859 -11.148 658 2HB ALA 85 2HB ALA 85 -22.672 -4.112 -12.881 659 3HB ALA 85 3HB ALA 85 -23.920 -4.520 -11.680 660 H HIS 86 H HIS 86 -20.929 -5.552 -9.598 661 HA HIS 86 HA HIS 86 -18.427 -5.127 -10.875 662 1HB HIS 86 1HB HIS 86 -18.279 -3.972 -8.971 663 2HB HIS 86 2HB HIS 86 -19.580 -4.872 -8.217 664 HD1 HIS 86 HD1 HIS 86 -15.857 -5.394 -8.998 665 HD2 HIS 86 HD2 HIS 86 -18.744 -6.434 -6.138 666 HE1 HIS 86 HE1 HIS 86 -14.622 -6.672 -7.167 667 HE2 HIS 86 HE2 HIS 86 -16.438 -7.237 -5.412 668 H VAL 87 H VAL 87 -20.120 -7.855 -9.308 669 HA VAL 87 HA VAL 87 -17.854 -9.515 -9.092 670 HB VAL 87 HB VAL 87 -20.824 -9.836 -8.988 671 1HG1 VAL 87 1HG1 VAL 87 -18.879 -12.170 -8.973 672 2HG1 VAL 87 2HG1 VAL 87 -20.630 -12.248 -8.663 673 3HG1 VAL 87 3HG1 VAL 87 -20.032 -11.791 -10.276 674 1HG2 VAL 87 1HG2 VAL 87 -20.318 -10.670 -6.727 675 2HG2 VAL 87 2HG2 VAL 87 -18.576 -10.499 -7.054 676 3HG2 VAL 87 3HG2 VAL 87 -19.618 -9.057 -7.003 677 H GLU 88 H GLU 88 -20.427 -9.100 -11.600 678 HA GLU 88 HA GLU 88 -19.637 -11.165 -13.216 679 1HB GLU 88 1HB GLU 88 -21.559 -9.154 -13.291 680 2HB GLU 88 2HB GLU 88 -20.551 -8.753 -14.668 681 1HG GLU 88 1HG GLU 88 -21.427 -11.624 -14.254 682 2HG GLU 88 2HG GLU 88 -22.555 -10.472 -14.940 683 H PHE 89 H PHE 89 -18.507 -7.735 -13.098 684 HA PHE 89 HA PHE 89 -16.741 -8.084 -15.303 685 1HB PHE 89 1HB PHE 89 -17.574 -6.045 -13.268 686 2HB PHE 89 2HB PHE 89 -15.907 -5.872 -13.779 687 HD1 PHE 89 HD1 PHE 89 -19.213 -4.968 -14.488 688 HD2 PHE 89 HD2 PHE 89 -15.552 -5.932 -16.405 689 HE1 PHE 89 HE1 PHE 89 -19.970 -3.748 -16.547 690 HE2 PHE 89 HE2 PHE 89 -16.310 -4.712 -18.464 691 HZ PHE 89 HZ PHE 89 -18.509 -3.635 -18.510 692 H ALA 90 H ALA 90 -16.525 -8.321 -11.738 693 HA ALA 90 HA ALA 90 -13.731 -8.268 -11.563 694 1HB ALA 90 1HB ALA 90 -14.724 -7.975 -9.511 695 2HB ALA 90 2HB ALA 90 -16.046 -9.113 -9.866 696 3HB ALA 90 3HB ALA 90 -14.438 -9.729 -9.417 697 H THR 91 H THR 91 -16.100 -10.820 -12.362 698 HA THR 91 HA THR 91 -14.315 -12.991 -12.069 699 HB THR 91 HB THR 91 -16.944 -12.503 -13.545 700 HG1 THR 91 HG1 THR 91 -16.678 -12.638 -11.120 701 1HG2 THR 91 1HG2 THR 91 -15.101 -14.638 -14.057 702 2HG2 THR 91 2HG2 THR 91 -16.356 -15.299 -12.982 703 3HG2 THR 91 3HG2 THR 91 -16.814 -14.558 -14.534 704 H ILE 92 H ILE 92 -15.198 -10.888 -14.862 705 HA ILE 92 HA ILE 92 -13.491 -12.364 -16.616 706 HB ILE 92 HB ILE 92 -15.113 -9.846 -16.813 707 1HG1 ILE 92 1HG1 ILE 92 -15.382 -12.101 -18.723 708 2HG1 ILE 92 2HG1 ILE 92 -15.829 -12.451 -17.065 709 1HG2 ILE 92 1HG2 ILE 92 -14.297 -10.287 -19.383 710 2HG2 ILE 92 2HG2 ILE 92 -13.628 -9.051 -18.291 711 3HG2 ILE 92 3HG2 ILE 92 -12.807 -10.620 -18.468 712 1HD1 ILE 92 1HD1 ILE 92 -17.182 -10.214 -17.162 713 2HD1 ILE 92 2HD1 ILE 92 -16.992 -10.356 -18.926 714 3HD1 ILE 92 3HD1 ILE 92 -17.837 -11.632 -18.017 715 H PHE 93 H PHE 93 -13.260 -9.478 -14.528 716 HA PHE 93 HA PHE 93 -10.808 -8.596 -15.647 717 1HB PHE 93 1HB PHE 93 -12.139 -6.984 -14.459 718 2HB PHE 93 2HB PHE 93 -12.536 -8.120 -13.185 719 HD1 PHE 93 HD1 PHE 93 -10.209 -5.594 -14.314 720 HD2 PHE 93 HD2 PHE 93 -10.844 -8.644 -11.432 721 HE1 PHE 93 HE1 PHE 93 -8.399 -4.614 -12.877 722 HE2 PHE 93 HE2 PHE 93 -9.034 -7.664 -9.996 723 HZ PHE 93 HZ PHE 93 -7.833 -5.661 -10.735 724 H LEU 94 H LEU 94 -11.771 -10.852 -13.055 725 HA LEU 94 HA LEU 94 -9.390 -10.954 -11.655 726 1HB LEU 94 1HB LEU 94 -11.730 -12.732 -12.065 727 2HB LEU 94 2HB LEU 94 -10.283 -13.473 -11.412 728 HG LEU 94 HG LEU 94 -11.312 -10.949 -10.158 729 1HD1 LEU 94 1HD1 LEU 94 -12.646 -13.618 -10.091 730 2HD1 LEU 94 2HD1 LEU 94 -12.556 -12.679 -8.581 731 3HD1 LEU 94 3HD1 LEU 94 -13.341 -11.981 -10.018 732 1HD2 LEU 94 1HD2 LEU 94 -10.437 -13.015 -8.354 733 2HD2 LEU 94 2HD2 LEU 94 -9.223 -12.764 -9.632 734 3HD2 LEU 94 3HD2 LEU 94 -9.763 -11.392 -8.635 735 H GLY 95 H GLY 95 -10.232 -12.116 -14.870 736 1HA GLY 95 1HA GLY 95 -7.972 -13.927 -15.025 737 2HA GLY 95 2HA GLY 95 -9.132 -13.545 -16.282 738 H SER 96 H SER 96 -8.864 -10.581 -15.956 739 HA SER 96 HA SER 96 -7.094 -10.048 -17.885 740 1HB SER 96 1HB SER 96 -8.583 -8.545 -15.923 741 2HB SER 96 2HB SER 96 -6.986 -7.836 -16.047 742 HG SER 96 HG SER 96 -7.369 -7.191 -18.084 743 H LEU 97 H LEU 97 -6.463 -10.072 -14.317 744 HA LEU 97 HA LEU 97 -3.602 -9.857 -14.921 745 1HB LEU 97 1HB LEU 97 -3.809 -9.571 -12.225 746 2HB LEU 97 2HB LEU 97 -3.721 -8.265 -13.390 747 HG LEU 97 HG LEU 97 -5.490 -7.905 -11.739 748 1HD1 LEU 97 1HD1 LEU 97 -7.293 -8.279 -13.962 749 2HD1 LEU 97 2HD1 LEU 97 -6.618 -6.779 -13.282 750 3HD1 LEU 97 3HD1 LEU 97 -5.717 -7.676 -14.528 751 1HD2 LEU 97 1HD2 LEU 97 -6.150 -10.674 -12.387 752 2HD2 LEU 97 2HD2 LEU 97 -6.567 -9.695 -10.960 753 3HD2 LEU 97 3HD2 LEU 97 -7.568 -9.598 -12.429 754 H ASP 98 H ASP 98 -2.113 -11.351 -13.953 755 HA ASP 98 HA ASP 98 -3.223 -13.948 -13.809 756 1HB ASP 98 1HB ASP 98 -0.942 -13.314 -14.769 757 2HB ASP 98 2HB ASP 98 -0.392 -13.027 -13.130 758 H LYS 99 H LYS 99 -1.030 -12.072 -11.567 759 HA LYS 99 HA LYS 99 -1.790 -13.693 -9.344 760 1HB LYS 99 1HB LYS 99 -0.082 -11.200 -9.579 761 2HB LYS 99 2HB LYS 99 -0.316 -12.092 -8.090 762 1HG LYS 99 1HG LYS 99 0.478 -13.742 -10.455 763 2HG LYS 99 2HG LYS 99 1.692 -12.612 -9.890 764 1HD LYS 99 1HD LYS 99 0.510 -13.909 -7.585 765 2HD LYS 99 2HD LYS 99 0.959 -15.145 -8.744 766 1HE LYS 99 1HE LYS 99 3.147 -13.357 -8.767 767 2HE LYS 99 2HE LYS 99 2.686 -13.443 -7.078 768 1HZ LYS 99 1HZ LYS 99 2.854 -15.803 -7.169 769 2HZ LYS 99 2HZ LYS 99 3.136 -15.798 -8.778 770 3HZ LYS 99 3HZ LYS 99 4.244 -15.174 -7.753 771 H VAL 100 H VAL 100 -2.887 -12.954 -7.406 772 HA VAL 100 HA VAL 100 -4.305 -10.452 -7.572 773 HB VAL 100 HB VAL 100 -6.429 -12.031 -7.017 774 1HG1 VAL 100 1HG1 VAL 100 -5.508 -10.387 -9.204 775 2HG1 VAL 100 2HG1 VAL 100 -6.478 -11.743 -9.828 776 3HG1 VAL 100 3HG1 VAL 100 -7.164 -10.647 -8.605 777 1HG2 VAL 100 1HG2 VAL 100 -5.207 -14.107 -7.503 778 2HG2 VAL 100 2HG2 VAL 100 -6.536 -13.851 -8.660 779 3HG2 VAL 100 3HG2 VAL 100 -4.856 -13.521 -9.147 780 H LEU 101 H LEU 101 -3.824 -9.629 -5.603 781 HA LEU 101 HA LEU 101 -4.209 -11.419 -3.315 782 1HB LEU 101 1HB LEU 101 -1.806 -9.797 -4.036 783 2HB LEU 101 2HB LEU 101 -2.237 -9.958 -2.345 784 HG LEU 101 HG LEU 101 -0.659 -11.644 -2.738 785 1HD1 LEU 101 1HD1 LEU 101 -3.179 -13.244 -3.120 786 2HD1 LEU 101 2HD1 LEU 101 -1.755 -13.596 -2.111 787 3HD1 LEU 101 3HD1 LEU 101 -2.895 -12.318 -1.627 788 1HD2 LEU 101 1HD2 LEU 101 -2.070 -12.919 -5.035 789 2HD2 LEU 101 2HD2 LEU 101 -1.144 -11.430 -5.341 790 3HD2 LEU 101 3HD2 LEU 101 -0.336 -12.853 -4.641 791 H VAL 102 H VAL 102 -5.631 -10.606 -1.867 792 HA VAL 102 HA VAL 102 -6.333 -7.783 -2.186 793 HB VAL 102 HB VAL 102 -7.805 -10.050 -0.829 794 1HG1 VAL 102 1HG1 VAL 102 -8.704 -8.199 0.196 795 2HG1 VAL 102 2HG1 VAL 102 -8.371 -7.130 -1.188 796 3HG1 VAL 102 3HG1 VAL 102 -9.729 -8.278 -1.257 797 1HG2 VAL 102 1HG2 VAL 102 -9.178 -10.236 -2.752 798 2HG2 VAL 102 2HG2 VAL 102 -8.509 -8.752 -3.471 799 3HG2 VAL 102 3HG2 VAL 102 -7.504 -10.216 -3.356 800 H ILE 103 H ILE 103 -5.703 -6.322 -0.682 801 HA ILE 103 HA ILE 103 -5.243 -7.272 2.030 802 HB ILE 103 HB ILE 103 -3.172 -5.740 0.455 803 1HG1 ILE 103 1HG1 ILE 103 -3.383 -8.141 -0.197 804 2HG1 ILE 103 2HG1 ILE 103 -1.823 -7.706 0.470 805 1HG2 ILE 103 1HG2 ILE 103 -1.784 -6.227 2.526 806 2HG2 ILE 103 2HG2 ILE 103 -3.060 -4.997 2.691 807 3HG2 ILE 103 3HG2 ILE 103 -3.315 -6.636 3.336 808 1HD1 ILE 103 1HD1 ILE 103 -4.040 -8.855 2.210 809 2HD1 ILE 103 2HD1 ILE 103 -2.877 -9.888 1.344 810 3HD1 ILE 103 3HD1 ILE 103 -2.302 -8.743 2.579 811 H ASP 104 H ASP 104 -5.568 -5.656 3.621 812 HA ASP 104 HA ASP 104 -6.808 -3.273 2.498 813 1HB ASP 104 1HB ASP 104 -7.531 -5.124 4.633 814 2HB ASP 104 2HB ASP 104 -7.380 -3.506 5.290 815 H TYR 105 H TYR 105 -5.936 -1.244 3.098 816 HA TYR 105 HA TYR 105 -3.851 -1.294 5.174 817 1HB TYR 105 1HB TYR 105 -2.659 -0.976 3.127 818 2HB TYR 105 2HB TYR 105 -4.043 -0.254 2.330 819 HD1 TYR 105 HD1 TYR 105 -2.343 0.720 5.526 820 HD2 TYR 105 HD2 TYR 105 -3.307 1.801 1.500 821 HE1 TYR 105 HE1 TYR 105 -1.361 3.034 5.905 822 HE2 TYR 105 HE2 TYR 105 -2.322 4.111 1.892 823 HH TYR 105 HH TYR 105 -0.319 4.816 4.386 824 H LYS 106 H LYS 106 -4.591 -0.173 6.909 825 HA LYS 106 HA LYS 106 -6.223 2.201 6.334 826 1HB LYS 106 1HB LYS 106 -6.262 0.261 8.654 827 2HB LYS 106 2HB LYS 106 -7.017 1.840 8.738 828 1HG LYS 106 1HG LYS 106 -8.679 1.294 7.198 829 2HG LYS 106 2HG LYS 106 -7.655 0.175 6.320 830 1HD LYS 106 1HD LYS 106 -9.162 -1.273 7.411 831 2HD LYS 106 2HD LYS 106 -7.770 -1.313 8.474 832 1HE LYS 106 1HE LYS 106 -9.718 0.869 9.065 833 2HE LYS 106 2HE LYS 106 -10.346 -0.751 9.297 834 1HZ LYS 106 1HZ LYS 106 -8.182 -1.127 10.549 835 2HZ LYS 106 2HZ LYS 106 -8.058 0.500 10.607 836 3HZ LYS 106 3HZ LYS 106 -9.343 -0.245 11.284 837 HA PRO 107 HA PRO 107 -3.130 4.582 8.173 838 1HB PRO 107 1HB PRO 107 -4.537 6.728 9.113 839 2HB PRO 107 2HB PRO 107 -4.082 6.542 7.430 840 1HG PRO 107 1HG PRO 107 -6.733 6.173 8.686 841 2HG PRO 107 2HG PRO 107 -6.343 6.410 6.994 842 1HD PRO 107 1HD PRO 107 -7.053 3.937 8.262 843 2HD PRO 107 2HD PRO 107 -6.551 4.155 6.598 844 H THR 108 H THR 108 -2.522 2.945 9.710 845 HA THR 108 HA THR 108 -3.682 3.415 12.352 846 HB THR 108 HB THR 108 -2.052 1.216 11.017 847 HG1 THR 108 HG1 THR 108 -4.009 0.105 11.897 848 1HG2 THR 108 1HG2 THR 108 -1.378 1.836 13.549 849 2HG2 THR 108 2HG2 THR 108 -2.929 1.039 13.906 850 3HG2 THR 108 3HG2 THR 108 -1.640 0.142 13.067 851 H SER 109 H SER 109 -2.834 5.233 13.248 852 HA SER 109 HA SER 109 0.010 5.618 12.990 853 1HB SER 109 1HB SER 109 -2.344 7.298 13.657 854 2HB SER 109 2HB SER 109 -0.921 7.666 14.611 855 HG SER 109 HG SER 109 -1.446 8.339 12.028 856 H VAL 110 H VAL 110 1.409 5.901 14.896 857 HA VAL 110 HA VAL 110 0.337 4.475 17.231 858 HB VAL 110 HB VAL 110 3.119 4.619 16.061 859 1HG1 VAL 110 1HG1 VAL 110 3.913 4.312 18.128 860 2HG1 VAL 110 2HG1 VAL 110 2.275 4.140 18.803 861 3HG1 VAL 110 3HG1 VAL 110 3.110 2.723 18.122 862 1HG2 VAL 110 1HG2 VAL 110 2.741 2.057 16.106 863 2HG2 VAL 110 2HG2 VAL 110 1.016 2.465 16.269 864 3HG2 VAL 110 3HG2 VAL 110 1.929 3.014 14.843 865 H SER 111 H SER 111 0.709 5.336 19.310 866 HA SER 111 HA SER 111 0.919 8.137 19.341 867 1HB SER 111 1HB SER 111 1.255 7.178 21.988 868 2HB SER 111 2HB SER 111 -0.226 7.750 21.246 869 HG SER 111 HG SER 111 -0.155 5.465 22.178 870 H LEU 112 H LEU 112 2.739 9.405 19.532 871 HA LEU 112 HA LEU 112 5.236 8.008 20.142 872 1HB LEU 112 1HB LEU 112 4.864 10.721 18.875 873 2HB LEU 112 2HB LEU 112 6.346 9.793 18.992 874 HG LEU 112 HG LEU 112 4.123 8.431 17.588 875 1HD1 LEU 112 1HD1 LEU 112 5.524 10.453 15.919 876 2HD1 LEU 112 2HD1 LEU 112 3.885 9.773 15.777 877 3HD1 LEU 112 3HD1 LEU 112 4.223 11.036 16.985 878 1HD2 LEU 112 1HD2 LEU 112 6.045 7.985 15.978 879 2HD2 LEU 112 2HD2 LEU 112 7.095 8.773 17.180 880 3HD2 LEU 112 3HD2 LEU 112 6.188 7.304 17.616 881 1H GLY 1 1H GLY 1 15.447 26.344 7.976 882 1HA GLY 1 1HA GLY 1 14.162 28.610 7.533 883 2HA GLY 1 2HA GLY 1 15.258 28.628 6.166 884 H SER 2 H SER 2 12.289 28.371 6.182 885 HA SER 2 HA SER 2 11.667 25.681 5.666 886 1HB SER 2 1HB SER 2 10.283 28.334 5.367 887 2HB SER 2 2HB SER 2 9.620 26.977 4.479 888 HG SER 2 HG SER 2 9.424 27.550 7.157 889 H HIS 3 H HIS 3 12.441 28.567 3.635 890 HA HIS 3 HA HIS 3 12.931 28.795 1.508 891 1HB HIS 3 1HB HIS 3 14.463 26.644 2.479 892 2HB HIS 3 2HB HIS 3 13.899 26.127 0.902 893 HD1 HIS 3 HD1 HIS 3 16.373 26.320 0.006 894 HD2 HIS 3 HD2 HIS 3 14.667 29.937 1.272 895 HE1 HIS 3 HE1 HIS 3 17.879 28.173 -0.892 896 H MET 4 H MET 4 12.533 27.904 -0.826 897 HA MET 4 HA MET 4 9.815 27.420 -1.026 898 1HB MET 4 1HB MET 4 12.188 27.252 -2.937 899 2HB MET 4 2HB MET 4 10.585 26.821 -3.500 900 1HG MET 4 1HG MET 4 11.102 29.473 -2.093 901 2HG MET 4 2HG MET 4 11.362 29.294 -3.817 902 1HE MET 4 1HE MET 4 7.544 30.076 -1.683 903 2HE MET 4 2HE MET 4 9.136 29.741 -0.961 904 3HE MET 4 3HE MET 4 8.922 31.147 -2.032 905 H GLU 5 H GLU 5 8.621 25.569 -0.875 906 HA GLU 5 HA GLU 5 10.097 23.096 -0.724 907 1HB GLU 5 1HB GLU 5 7.957 24.112 0.719 908 2HB GLU 5 2HB GLU 5 7.154 23.005 -0.376 909 1HG GLU 5 1HG GLU 5 8.038 21.153 0.642 910 2HG GLU 5 2HG GLU 5 9.629 21.873 0.792 911 H GLU 6 H GLU 6 9.571 21.215 -2.019 912 HA GLU 6 HA GLU 6 8.583 22.002 -4.609 913 1HB GLU 6 1HB GLU 6 10.154 19.650 -3.538 914 2HB GLU 6 2HB GLU 6 9.350 19.510 -5.088 915 1HG GLU 6 1HG GLU 6 10.639 21.254 -6.066 916 2HG GLU 6 2HG GLU 6 11.087 21.928 -4.512 917 H ALA 7 H ALA 7 6.506 21.620 -5.245 918 HA ALA 7 HA ALA 7 4.784 20.117 -3.523 919 1HB ALA 7 1HB ALA 7 3.914 20.999 -6.243 920 2HB ALA 7 2HB ALA 7 3.101 21.175 -4.669 921 3HB ALA 7 3HB ALA 7 4.432 22.271 -5.111 922 H LYS 8 H LYS 8 6.415 18.178 -3.898 923 HA LYS 8 HA LYS 8 5.570 16.729 -6.303 924 1HB LYS 8 1HB LYS 8 8.029 16.475 -4.553 925 2HB LYS 8 2HB LYS 8 7.593 15.297 -5.775 926 1HG LYS 8 1HG LYS 8 7.402 17.922 -6.967 927 2HG LYS 8 2HG LYS 8 8.938 17.823 -6.131 928 1HD LYS 8 1HD LYS 8 9.748 16.131 -7.506 929 2HD LYS 8 2HD LYS 8 8.164 15.429 -7.766 930 1HE LYS 8 1HE LYS 8 7.733 17.767 -9.042 931 2HE LYS 8 2HE LYS 8 9.478 17.736 -9.196 932 1HZ LYS 8 1HZ LYS 8 8.652 15.215 -9.820 933 2HZ LYS 8 2HZ LYS 8 7.566 16.189 -10.554 934 3HZ LYS 8 3HZ LYS 8 9.159 16.360 -10.868 935 H GLY 9 H GLY 9 3.599 16.918 -4.417 936 1HA GLY 9 1HA GLY 9 3.434 14.152 -3.501 937 2HA GLY 9 2HA GLY 9 3.344 15.396 -2.271 938 HA PRO 10 HA PRO 10 2.044 14.198 -1.365 939 1HB PRO 10 1HB PRO 10 0.039 12.458 -0.715 940 2HB PRO 10 2HB PRO 10 0.134 14.089 -0.083 941 1HG PRO 10 1HG PRO 10 -1.661 13.013 -2.170 942 2HG PRO 10 2HG PRO 10 -1.824 14.486 -1.236 943 1HD PRO 10 1HD PRO 10 -0.965 14.271 -3.964 944 2HD PRO 10 2HD PRO 10 -1.017 15.729 -2.994 945 H VAL 11 H VAL 11 2.809 12.015 -0.729 946 HA VAL 11 HA VAL 11 2.704 10.208 -3.020 947 HB VAL 11 HB VAL 11 5.117 11.524 -1.838 948 1HG1 VAL 11 1HG1 VAL 11 6.111 9.529 -1.529 949 2HG1 VAL 11 2HG1 VAL 11 4.867 8.657 -2.457 950 3HG1 VAL 11 3HG1 VAL 11 6.206 9.468 -3.305 951 1HG2 VAL 11 1HG2 VAL 11 5.716 11.953 -4.051 952 2HG2 VAL 11 2HG2 VAL 11 4.725 10.618 -4.686 953 3HG2 VAL 11 3HG2 VAL 11 3.943 12.099 -4.086 954 H LYS 12 H LYS 12 2.540 8.066 -2.428 955 HA LYS 12 HA LYS 12 2.939 7.502 0.425 956 1HB LYS 12 1HB LYS 12 0.518 7.192 -1.236 957 2HB LYS 12 2HB LYS 12 0.944 5.770 -0.306 958 1HG LYS 12 1HG LYS 12 -0.381 6.985 1.217 959 2HG LYS 12 2HG LYS 12 1.243 7.420 1.708 960 1HD LYS 12 1HD LYS 12 0.993 9.606 1.065 961 2HD LYS 12 2HD LYS 12 0.167 9.179 -0.420 962 1HE LYS 12 1HE LYS 12 -1.174 9.016 2.317 963 2HE LYS 12 2HE LYS 12 -1.237 10.453 1.315 964 1HZ LYS 12 1HZ LYS 12 -2.960 9.484 0.364 965 2HZ LYS 12 2HZ LYS 12 -1.926 8.449 -0.362 966 3HZ LYS 12 3HZ LYS 12 -2.660 8.025 1.034 967 H HIS 13 H HIS 13 4.722 6.243 0.540 968 HA HIS 13 HA HIS 13 5.352 4.535 -1.692 969 1HB HIS 13 1HB HIS 13 7.109 5.855 -0.629 970 2HB HIS 13 2HB HIS 13 6.793 5.090 0.916 971 HD1 HIS 13 HD1 HIS 13 8.562 4.586 -2.330 972 HD2 HIS 13 HD2 HIS 13 7.664 2.353 1.106 973 HE1 HIS 13 HE1 HIS 13 10.052 2.516 -2.412 974 HE2 HIS 13 HE2 HIS 13 9.495 1.211 -0.249 975 H VAL 14 H VAL 14 4.853 2.399 -1.841 976 HA VAL 14 HA VAL 14 3.641 1.187 0.526 977 HB VAL 14 HB VAL 14 3.605 0.305 -2.366 978 1HG1 VAL 14 1HG1 VAL 14 2.858 -1.611 -1.467 979 2HG1 VAL 14 2HG1 VAL 14 2.635 -0.874 0.138 980 3HG1 VAL 14 3HG1 VAL 14 1.365 -0.714 -1.100 981 1HG2 VAL 14 1HG2 VAL 14 1.198 1.151 -2.247 982 2HG2 VAL 14 2HG2 VAL 14 1.690 2.029 -0.779 983 3HG2 VAL 14 3HG2 VAL 14 2.477 2.386 -2.335 984 H LEU 15 H LEU 15 4.825 -0.188 1.741 985 HA LEU 15 HA LEU 15 6.904 -1.723 0.366 986 1HB LEU 15 1HB LEU 15 7.972 0.202 1.408 987 2HB LEU 15 2HB LEU 15 7.239 -0.194 2.950 988 HG LEU 15 HG LEU 15 9.021 -2.194 1.582 989 1HD1 LEU 15 1HD1 LEU 15 9.849 0.363 2.884 990 2HD1 LEU 15 2HD1 LEU 15 10.817 -1.099 3.188 991 3HD1 LEU 15 3HD1 LEU 15 10.575 -0.523 1.522 992 1HD2 LEU 15 1HD2 LEU 15 8.129 -1.658 4.412 993 2HD2 LEU 15 2HD2 LEU 15 7.935 -3.131 3.431 994 3HD2 LEU 15 3HD2 LEU 15 9.543 -2.676 4.046 995 H LEU 16 H LEU 16 7.029 -3.864 0.986 996 HA LEU 16 HA LEU 16 5.332 -4.625 3.255 997 1HB LEU 16 1HB LEU 16 4.306 -6.327 2.087 998 2HB LEU 16 2HB LEU 16 4.296 -4.984 0.960 999 HG LEU 16 HG LEU 16 6.679 -6.438 0.452 1000 1HD1 LEU 16 1HD1 LEU 16 4.494 -8.406 0.078 1001 2HD1 LEU 16 2HD1 LEU 16 6.222 -8.649 0.433 1002 3HD1 LEU 16 3HD1 LEU 16 5.100 -8.200 1.739 1003 1HD2 LEU 16 1HD2 LEU 16 4.354 -6.843 -1.336 1004 2HD2 LEU 16 2HD2 LEU 16 4.789 -5.153 -0.986 1005 3HD2 LEU 16 3HD2 LEU 16 5.997 -6.256 -1.689 1006 H ALA 17 H ALA 17 6.103 -6.357 4.529 1007 HA ALA 17 HA ALA 17 8.567 -7.635 3.716 1008 1HB ALA 17 1HB ALA 17 9.844 -6.888 5.620 1009 2HB ALA 17 2HB ALA 17 9.213 -5.441 4.799 1010 3HB ALA 17 3HB ALA 17 8.441 -6.024 6.293 1011 H SER 18 H SER 18 8.911 -9.618 4.827 1012 HA SER 18 HA SER 18 6.690 -10.318 6.587 1013 1HB SER 18 1HB SER 18 8.163 -12.112 4.606 1014 2HB SER 18 2HB SER 18 6.912 -12.653 5.708 1015 HG SER 18 HG SER 18 6.257 -10.441 4.052 1016 H PHE 19 H PHE 19 7.204 -11.559 8.469 1017 HA PHE 19 HA PHE 19 10.036 -11.486 9.135 1018 1HB PHE 19 1HB PHE 19 7.393 -11.909 10.645 1019 2HB PHE 19 2HB PHE 19 8.944 -12.069 11.445 1020 HD1 PHE 19 HD1 PHE 19 6.335 -9.857 10.700 1021 HD2 PHE 19 HD2 PHE 19 10.552 -9.984 11.152 1022 HE1 PHE 19 HE1 PHE 19 6.362 -7.386 11.143 1023 HE2 PHE 19 HE2 PHE 19 10.580 -7.513 11.594 1024 HZ PHE 19 HZ PHE 19 8.484 -6.244 11.584 1025 H LYS 20 H LYS 20 11.276 -13.295 9.047 1026 HA LYS 20 HA LYS 20 10.542 -15.679 8.084 1027 1HB LYS 20 1HB LYS 20 12.572 -15.320 10.306 1028 2HB LYS 20 2HB LYS 20 12.532 -16.601 9.111 1029 1HG LYS 20 1HG LYS 20 12.460 -14.279 7.542 1030 2HG LYS 20 2HG LYS 20 13.528 -13.831 8.856 1031 1HD LYS 20 1HD LYS 20 15.083 -14.830 7.454 1032 2HD LYS 20 2HD LYS 20 14.600 -16.241 8.374 1033 1HE LYS 20 1HE LYS 20 12.733 -15.887 6.182 1034 2HE LYS 20 2HE LYS 20 14.363 -15.816 5.543 1035 1HZ LYS 20 1HZ LYS 20 14.814 -17.918 6.294 1036 2HZ LYS 20 2HZ LYS 20 13.646 -17.915 7.436 1037 3HZ LYS 20 3HZ LYS 20 13.247 -18.070 5.860 1038 H ASP 21 H ASP 21 10.162 -17.835 9.076 1039 HA ASP 21 HA ASP 21 8.101 -17.567 11.013 1040 1HB ASP 21 1HB ASP 21 8.634 -19.329 8.953 1041 2HB ASP 21 2HB ASP 21 9.137 -20.283 10.334 1042 H GLY 22 H GLY 22 8.339 -17.932 13.241 1043 1HA GLY 22 1HA GLY 22 9.197 -19.042 15.098 1044 2HA GLY 22 2HA GLY 22 10.616 -19.515 14.183 1045 H VAL 23 H VAL 23 9.227 -16.200 14.236 1046 HA VAL 23 HA VAL 23 11.749 -15.302 15.422 1047 HB VAL 23 HB VAL 23 9.649 -13.906 13.757 1048 1HG1 VAL 23 1HG1 VAL 23 11.513 -12.785 15.629 1049 2HG1 VAL 23 2HG1 VAL 23 12.006 -12.332 13.980 1050 3HG1 VAL 23 3HG1 VAL 23 10.365 -11.952 14.555 1051 1HG2 VAL 23 1HG2 VAL 23 12.547 -14.216 13.016 1052 2HG2 VAL 23 2HG2 VAL 23 11.415 -15.565 12.759 1053 3HG2 VAL 23 3HG2 VAL 23 11.123 -13.996 11.970 1054 H SER 24 H SER 24 11.800 -14.189 17.359 1055 HA SER 24 HA SER 24 9.661 -14.573 19.076 1056 1HB SER 24 1HB SER 24 11.932 -12.561 19.377 1057 2HB SER 24 2HB SER 24 10.962 -13.232 20.673 1058 HG SER 24 HG SER 24 11.837 -15.401 19.605 1059 HA PRO 25 HA PRO 25 7.243 -11.043 18.264 1060 1HB PRO 25 1HB PRO 25 5.779 -10.880 20.566 1061 2HB PRO 25 2HB PRO 25 5.396 -11.987 19.263 1062 1HG PRO 25 1HG PRO 25 6.638 -12.566 21.883 1063 2HG PRO 25 2HG PRO 25 5.868 -13.674 20.764 1064 1HD PRO 25 1HD PRO 25 8.686 -13.334 21.177 1065 2HD PRO 25 2HD PRO 25 7.918 -14.356 19.978 1066 H GLU 26 H GLU 26 8.887 -11.084 21.361 1067 HA GLU 26 HA GLU 26 8.629 -8.400 21.876 1068 1HB GLU 26 1HB GLU 26 10.075 -10.648 22.936 1069 2HB GLU 26 2HB GLU 26 11.207 -9.317 22.794 1070 1HG GLU 26 1HG GLU 26 10.332 -8.436 24.689 1071 2HG GLU 26 2HG GLU 26 8.841 -8.138 23.817 1072 H LYS 27 H LYS 27 10.856 -10.177 19.728 1073 HA LYS 27 HA LYS 27 12.571 -7.928 19.324 1074 1HB LYS 27 1HB LYS 27 12.853 -10.615 19.009 1075 2HB LYS 27 2HB LYS 27 12.546 -10.140 17.351 1076 1HG LYS 27 1HG LYS 27 14.440 -8.344 18.771 1077 2HG LYS 27 2HG LYS 27 15.011 -9.995 18.628 1078 1HD LYS 27 1HD LYS 27 15.088 -9.925 16.291 1079 2HD LYS 27 2HD LYS 27 13.804 -8.739 16.172 1080 1HE LYS 27 1HE LYS 27 15.430 -7.180 15.857 1081 2HE LYS 27 2HE LYS 27 15.802 -7.350 17.561 1082 1HZ LYS 27 1HZ LYS 27 17.553 -7.817 15.683 1083 2HZ LYS 27 2HZ LYS 27 17.589 -8.607 17.111 1084 3HZ LYS 27 3HZ LYS 27 16.942 -9.327 15.796 1085 H ILE 28 H ILE 28 9.683 -9.353 17.771 1086 HA ILE 28 HA ILE 28 9.864 -7.773 15.433 1087 HB ILE 28 HB ILE 28 7.632 -9.330 16.726 1088 1HG1 ILE 28 1HG1 ILE 28 9.138 -9.939 14.177 1089 2HG1 ILE 28 2HG1 ILE 28 9.702 -10.482 15.745 1090 1HG2 ILE 28 1HG2 ILE 28 6.243 -8.955 14.861 1091 2HG2 ILE 28 2HG2 ILE 28 6.842 -7.349 15.339 1092 3HG2 ILE 28 3HG2 ILE 28 7.551 -8.181 13.935 1093 1HD1 ILE 28 1HD1 ILE 28 7.253 -11.317 14.210 1094 2HD1 ILE 28 2HD1 ILE 28 8.396 -12.308 15.148 1095 3HD1 ILE 28 3HD1 ILE 28 7.168 -11.332 15.988 1096 H GLU 29 H GLU 29 7.954 -7.497 18.503 1097 HA GLU 29 HA GLU 29 6.733 -5.116 17.764 1098 1HB GLU 29 1HB GLU 29 6.225 -4.908 20.212 1099 2HB GLU 29 2HB GLU 29 5.833 -6.487 19.559 1100 1HG GLU 29 1HG GLU 29 7.039 -7.275 21.339 1101 2HG GLU 29 2HG GLU 29 8.430 -6.927 20.331 1102 H GLU 30 H GLU 30 9.925 -5.877 19.100 1103 HA GLU 30 HA GLU 30 10.468 -3.339 20.121 1104 1HB GLU 30 1HB GLU 30 11.933 -5.844 19.589 1105 2HB GLU 30 2HB GLU 30 12.938 -4.424 19.382 1106 1HG GLU 30 1HG GLU 30 11.469 -3.895 21.739 1107 2HG GLU 30 2HG GLU 30 11.868 -5.598 21.854 1108 H LEU 31 H LEU 31 10.869 -4.853 16.889 1109 HA LEU 31 HA LEU 31 12.378 -2.706 15.818 1110 1HB LEU 31 1HB LEU 31 11.360 -5.275 14.986 1111 2HB LEU 31 2HB LEU 31 11.059 -4.074 13.746 1112 HG LEU 31 HG LEU 31 13.795 -4.083 14.903 1113 1HD1 LEU 31 1HD1 LEU 31 12.764 -6.356 13.188 1114 2HD1 LEU 31 2HD1 LEU 31 14.486 -5.979 13.435 1115 3HD1 LEU 31 3HD1 LEU 31 13.473 -6.457 14.818 1116 1HD2 LEU 31 1HD2 LEU 31 14.363 -3.814 12.467 1117 2HD2 LEU 31 2HD2 LEU 31 12.615 -3.789 12.133 1118 3HD2 LEU 31 3HD2 LEU 31 13.343 -2.530 13.159 1119 H ILE 32 H ILE 32 8.885 -3.575 15.935 1120 HA ILE 32 HA ILE 32 8.045 -1.514 14.229 1121 HB ILE 32 HB ILE 32 6.674 -3.150 16.353 1122 1HG1 ILE 32 1HG1 ILE 32 6.389 -3.215 13.339 1123 2HG1 ILE 32 2HG1 ILE 32 7.509 -4.230 14.225 1124 1HG2 ILE 32 1HG2 ILE 32 4.567 -2.254 15.729 1125 2HG2 ILE 32 2HG2 ILE 32 5.628 -0.870 16.086 1126 3HG2 ILE 32 3HG2 ILE 32 5.280 -1.312 14.398 1127 1HD1 ILE 32 1HD1 ILE 32 4.712 -4.217 15.271 1128 2HD1 ILE 32 2HD1 ILE 32 4.938 -4.958 13.669 1129 3HD1 ILE 32 3HD1 ILE 32 5.845 -5.574 15.070 1130 H LYS 33 H LYS 33 8.193 -1.752 17.849 1131 HA LYS 33 HA LYS 33 7.296 0.854 18.290 1132 1HB LYS 33 1HB LYS 33 7.514 0.317 20.468 1133 2HB LYS 33 2HB LYS 33 7.744 -1.305 19.846 1134 1HG LYS 33 1HG LYS 33 10.229 -0.927 19.819 1135 2HG LYS 33 2HG LYS 33 9.982 0.678 20.479 1136 1HD LYS 33 1HD LYS 33 8.933 -0.289 22.513 1137 2HD LYS 33 2HD LYS 33 9.086 -1.903 21.848 1138 1HE LYS 33 1HE LYS 33 11.090 -1.980 22.938 1139 2HE LYS 33 2HE LYS 33 11.693 -0.978 21.632 1140 1HZ LYS 33 1HZ LYS 33 10.985 -0.224 24.323 1141 2HZ LYS 33 2HZ LYS 33 12.178 0.341 23.363 1142 3HZ LYS 33 3HZ LYS 33 10.647 0.869 23.158 1143 H GLY 34 H GLY 34 10.521 -0.523 17.582 1144 1HA GLY 34 1HA GLY 34 12.094 1.673 18.274 1145 2HA GLY 34 2HA GLY 34 12.477 0.456 17.073 1146 H TYR 35 H TYR 35 10.673 0.757 15.048 1147 HA TYR 35 HA TYR 35 11.609 2.830 13.565 1148 1HB TYR 35 1HB TYR 35 9.295 0.953 13.688 1149 2HB TYR 35 2HB TYR 35 8.883 2.425 12.832 1150 HD1 TYR 35 HD1 TYR 35 11.242 -0.449 12.869 1151 HD2 TYR 35 HD2 TYR 35 9.652 2.819 10.611 1152 HE1 TYR 35 HE1 TYR 35 12.350 -1.353 10.766 1153 HE2 TYR 35 HE2 TYR 35 10.765 1.904 8.517 1154 HH TYR 35 HH TYR 35 12.206 -1.243 8.470 1155 H ALA 36 H ALA 36 8.709 2.808 15.725 1156 HA ALA 36 HA ALA 36 7.741 5.309 15.021 1157 1HB ALA 36 1HB ALA 36 6.587 3.542 16.381 1158 2HB ALA 36 2HB ALA 36 7.648 3.960 17.748 1159 3HB ALA 36 3HB ALA 36 6.506 5.165 17.108 1160 H ASN 37 H ASN 37 10.353 4.299 17.261 1161 HA ASN 37 HA ASN 37 10.639 6.907 18.319 1162 1HB ASN 37 1HB ASN 37 11.529 4.331 19.005 1163 2HB ASN 37 2HB ASN 37 13.005 5.120 18.487 1164 1HD2 ASN 37 1HD2 ASN 37 13.726 4.965 20.648 1165 2HD2 ASN 37 2HD2 ASN 37 13.227 6.096 21.861 1166 H LEU 38 H LEU 38 12.004 4.933 15.668 1167 HA LEU 38 HA LEU 38 14.285 6.487 15.173 1168 1HB LEU 38 1HB LEU 38 13.271 4.115 14.290 1169 2HB LEU 38 2HB LEU 38 13.013 5.135 12.888 1170 HG LEU 38 HG LEU 38 15.438 5.750 12.944 1171 1HD1 LEU 38 1HD1 LEU 38 16.748 5.246 14.659 1172 2HD1 LEU 38 2HD1 LEU 38 15.344 4.536 15.492 1173 3HD1 LEU 38 3HD1 LEU 38 16.387 3.513 14.475 1174 1HD2 LEU 38 1HD2 LEU 38 15.438 2.788 12.752 1175 2HD2 LEU 38 2HD2 LEU 38 14.241 3.657 11.761 1176 3HD2 LEU 38 3HD2 LEU 38 15.974 4.022 11.586 1177 H VAL 39 H VAL 39 10.954 6.525 13.744 1178 HA VAL 39 HA VAL 39 11.478 8.664 12.012 1179 HB VAL 39 HB VAL 39 9.208 8.609 11.549 1180 1HG1 VAL 39 1HG1 VAL 39 9.117 6.486 10.853 1181 2HG1 VAL 39 2HG1 VAL 39 10.592 6.197 11.806 1182 3HG1 VAL 39 3HG1 VAL 39 8.994 5.870 12.518 1183 1HG2 VAL 39 1HG2 VAL 39 7.447 7.924 13.045 1184 2HG2 VAL 39 2HG2 VAL 39 8.627 7.371 14.258 1185 3HG2 VAL 39 3HG2 VAL 39 8.475 9.106 13.890 1186 H ASN 40 H ASN 40 10.346 8.459 15.418 1187 HA ASN 40 HA ASN 40 9.611 11.101 15.669 1188 1HB ASN 40 1HB ASN 40 9.080 9.375 17.369 1189 2HB ASN 40 2HB ASN 40 10.781 9.157 17.727 1190 1HD2 ASN 40 1HD2 ASN 40 8.214 11.604 17.627 1191 2HD2 ASN 40 2HD2 ASN 40 8.747 12.546 18.979 1192 H LEU 41 H LEU 41 12.715 9.573 15.272 1193 HA LEU 41 HA LEU 41 14.120 11.847 16.456 1194 1HB LEU 41 1HB LEU 41 14.736 9.003 15.964 1195 2HB LEU 41 2HB LEU 41 16.055 10.117 15.665 1196 HG LEU 41 HG LEU 41 16.309 9.381 17.889 1197 1HD1 LEU 41 1HD1 LEU 41 16.379 11.927 17.382 1198 2HD1 LEU 41 2HD1 LEU 41 14.906 11.993 18.380 1199 3HD1 LEU 41 3HD1 LEU 41 16.423 11.369 19.072 1200 1HD2 LEU 41 1HD2 LEU 41 14.238 8.358 18.379 1201 2HD2 LEU 41 2HD2 LEU 41 14.442 9.650 19.586 1202 3HD2 LEU 41 3HD2 LEU 41 13.347 9.889 18.203 1203 H ILE 42 H ILE 42 13.757 9.948 13.403 1204 HA ILE 42 HA ILE 42 15.514 11.524 11.905 1205 HB ILE 42 HB ILE 42 13.226 9.701 11.205 1206 1HG1 ILE 42 1HG1 ILE 42 16.054 9.184 10.431 1207 2HG1 ILE 42 2HG1 ILE 42 15.676 9.080 12.139 1208 1HG2 ILE 42 1HG2 ILE 42 15.125 10.988 9.228 1209 2HG2 ILE 42 2HG2 ILE 42 13.794 9.859 8.879 1210 3HG2 ILE 42 3HG2 ILE 42 13.438 11.494 9.485 1211 1HD1 ILE 42 1HD1 ILE 42 15.380 6.959 10.564 1212 2HD1 ILE 42 2HD1 ILE 42 14.200 7.285 11.856 1213 3HD1 ILE 42 3HD1 ILE 42 13.823 7.728 10.174 1214 H GLU 43 H GLU 43 15.330 13.717 11.851 1215 HA GLU 43 HA GLU 43 13.157 15.194 12.296 1216 1HB GLU 43 1HB GLU 43 15.760 15.620 11.258 1217 2HB GLU 43 2HB GLU 43 14.683 16.386 10.108 1218 1HG GLU 43 1HG GLU 43 13.574 17.634 11.971 1219 2HG GLU 43 2HG GLU 43 14.642 16.863 13.126 1220 HA PRO 44 HA PRO 44 11.917 14.927 7.726 1221 1HB PRO 44 1HB PRO 44 13.212 13.203 6.047 1222 2HB PRO 44 2HB PRO 44 13.623 14.901 6.181 1223 1HG PRO 44 1HG PRO 44 15.067 12.555 7.252 1224 2HG PRO 44 2HG PRO 44 15.656 14.186 7.002 1225 1HD PRO 44 1HD PRO 44 14.906 12.996 9.502 1226 2HD PRO 44 2HD PRO 44 15.384 14.661 9.235 1227 H MET 45 H MET 45 10.175 14.071 8.995 1228 HA MET 45 HA MET 45 9.215 11.750 7.830 1229 1HB MET 45 1HB MET 45 11.019 11.341 10.074 1230 2HB MET 45 2HB MET 45 9.407 10.889 10.592 1231 1HG MET 45 1HG MET 45 10.572 9.895 7.956 1232 2HG MET 45 2HG MET 45 10.854 9.047 9.464 1233 1HE MET 45 1HE MET 45 9.595 7.737 7.032 1234 2HE MET 45 2HE MET 45 9.597 6.808 8.550 1235 3HE MET 45 3HE MET 45 8.104 6.941 7.591 1236 H LYS 46 H LYS 46 7.253 12.844 7.645 1237 HA LYS 46 HA LYS 46 6.144 14.453 9.608 1238 1HB LYS 46 1HB LYS 46 5.344 13.280 7.049 1239 2HB LYS 46 2HB LYS 46 3.998 13.439 8.159 1240 1HG LYS 46 1HG LYS 46 3.996 15.560 7.178 1241 2HG LYS 46 2HG LYS 46 4.981 15.863 8.595 1242 1HD LYS 46 1HD LYS 46 6.207 16.828 6.787 1243 2HD LYS 46 2HD LYS 46 7.037 15.325 7.135 1244 1HE LYS 46 1HE LYS 46 4.856 14.932 5.194 1245 2HE LYS 46 2HE LYS 46 6.008 16.129 4.635 1246 1HZ LYS 46 1HZ LYS 46 6.341 13.477 4.481 1247 2HZ LYS 46 2HZ LYS 46 7.545 14.575 4.365 1248 3HZ LYS 46 3HZ LYS 46 7.244 13.841 5.793 1249 H ALA 47 H ALA 47 5.195 11.050 8.732 1250 HA ALA 47 HA ALA 47 4.997 10.358 11.495 1251 1HB ALA 47 1HB ALA 47 2.415 9.709 10.770 1252 2HB ALA 47 2HB ALA 47 2.878 11.115 11.759 1253 3HB ALA 47 3HB ALA 47 2.628 11.303 10.007 1254 H PHE 48 H PHE 48 4.614 8.037 11.759 1255 HA PHE 48 HA PHE 48 5.339 6.620 9.313 1256 1HB PHE 48 1HB PHE 48 6.640 6.538 11.570 1257 2HB PHE 48 2HB PHE 48 5.249 5.720 12.252 1258 HD1 PHE 48 HD1 PHE 48 7.136 5.337 9.044 1259 HD2 PHE 48 HD2 PHE 48 5.694 3.490 12.582 1260 HE1 PHE 48 HE1 PHE 48 8.050 3.132 8.266 1261 HE2 PHE 48 HE2 PHE 48 6.609 1.286 11.805 1262 HZ PHE 48 HZ PHE 48 7.775 1.133 9.656 1263 H HIS 49 H HIS 49 3.736 5.616 8.200 1264 HA HIS 49 HA HIS 49 1.435 4.707 9.768 1265 1HB HIS 49 1HB HIS 49 1.671 6.205 7.284 1266 2HB HIS 49 2HB HIS 49 0.715 4.753 7.060 1267 HD1 HIS 49 HD1 HIS 49 0.219 8.156 7.804 1268 HD2 HIS 49 HD2 HIS 49 -1.270 4.611 9.482 1269 HE1 HIS 49 HE1 HIS 49 -1.917 8.795 9.045 1270 HE2 HIS 49 HE2 HIS 49 -2.815 6.568 10.009 1271 H TRP 50 H TRP 50 0.739 2.565 9.570 1272 HA TRP 50 HA TRP 50 2.099 0.888 7.623 1273 1HB TRP 50 1HB TRP 50 3.164 -0.501 9.067 1274 2HB TRP 50 2HB TRP 50 3.376 1.029 9.894 1275 HD1 TRP 50 HD1 TRP 50 1.269 1.456 11.884 1276 HE1 TRP 50 HE1 TRP 50 0.353 -0.218 13.707 1277 HE3 TRP 50 HE3 TRP 50 2.850 -2.776 9.551 1278 HZ2 TRP 50 HZ2 TRP 50 0.392 -3.060 13.963 1279 HZ3 TRP 50 HZ3 TRP 50 2.371 -4.959 10.655 1280 HH2 TRP 50 HH2 TRP 50 1.187 -5.143 12.785 1281 H GLY 51 H GLY 51 1.027 -1.389 7.706 1282 1HA GLY 51 1HA GLY 51 -1.529 -1.604 8.977 1283 2HA GLY 51 2HA GLY 51 -1.672 -1.212 7.275 1284 H LYS 52 H LYS 52 -2.079 -3.760 9.106 1285 HA LYS 52 HA LYS 52 -0.502 -5.568 7.411 1286 1HB LYS 52 1HB LYS 52 -0.601 -7.181 9.207 1287 2HB LYS 52 2HB LYS 52 0.061 -5.674 9.807 1288 1HG LYS 52 1HG LYS 52 -1.732 -5.278 11.195 1289 2HG LYS 52 2HG LYS 52 -2.900 -5.865 10.028 1290 1HD LYS 52 1HD LYS 52 -2.878 -7.385 11.942 1291 2HD LYS 52 2HD LYS 52 -2.219 -8.226 10.553 1292 1HE LYS 52 1HE LYS 52 0.008 -8.109 11.366 1293 2HE LYS 52 2HE LYS 52 -0.340 -6.754 12.421 1294 1HZ LYS 52 1HZ LYS 52 -1.721 -9.271 12.884 1295 2HZ LYS 52 2HZ LYS 52 -0.167 -9.127 13.366 1296 3HZ LYS 52 3HZ LYS 52 -1.302 -8.110 13.954 1297 H ASP 53 H ASP 53 -1.581 -7.505 6.615 1298 HA ASP 53 HA ASP 53 -3.906 -7.025 5.379 1299 1HB ASP 53 1HB ASP 53 -4.160 -9.677 5.578 1300 2HB ASP 53 2HB ASP 53 -2.881 -8.962 4.617 1301 H VAL 54 H VAL 54 -5.822 -6.361 6.388 1302 HA VAL 54 HA VAL 54 -6.602 -7.809 8.822 1303 HB VAL 54 HB VAL 54 -8.108 -5.716 9.058 1304 1HG1 VAL 54 1HG1 VAL 54 -5.684 -4.508 9.727 1305 2HG1 VAL 54 2HG1 VAL 54 -6.666 -5.570 10.764 1306 3HG1 VAL 54 3HG1 VAL 54 -5.338 -6.253 9.795 1307 1HG2 VAL 54 1HG2 VAL 54 -7.659 -3.815 7.868 1308 2HG2 VAL 54 2HG2 VAL 54 -5.955 -4.251 7.594 1309 3HG2 VAL 54 3HG2 VAL 54 -7.238 -5.024 6.631 1310 H SER 55 H SER 55 -8.636 -8.777 8.926 1311 HA SER 55 HA SER 55 -10.336 -9.866 8.112 1312 1HB SER 55 1HB SER 55 -10.735 -7.043 7.286 1313 2HB SER 55 2HB SER 55 -11.710 -8.188 6.387 1314 HG SER 55 HG SER 55 -12.369 -9.079 8.539 1315 H ILE 56 H ILE 56 -8.307 -10.911 6.837 1316 HA ILE 56 HA ILE 56 -8.788 -10.633 3.963 1317 HB ILE 56 HB ILE 56 -6.607 -11.978 3.879 1318 1HG1 ILE 56 1HG1 ILE 56 -5.949 -10.844 6.553 1319 2HG1 ILE 56 2HG1 ILE 56 -6.924 -12.300 6.534 1320 1HG2 ILE 56 1HG2 ILE 56 -6.060 -9.302 5.059 1321 2HG2 ILE 56 2HG2 ILE 56 -5.485 -10.035 3.542 1322 3HG2 ILE 56 3HG2 ILE 56 -7.132 -9.368 3.639 1323 1HD1 ILE 56 1HD1 ILE 56 -4.574 -12.294 4.682 1324 2HD1 ILE 56 2HD1 ILE 56 -4.208 -12.337 6.423 1325 3HD1 ILE 56 3HD1 ILE 56 -5.221 -13.606 5.695 1326 H GLU 57 H GLU 57 -9.626 -12.513 6.675 1327 HA GLU 57 HA GLU 57 -10.721 -14.378 6.883 1328 1HB GLU 57 1HB GLU 57 -11.955 -13.594 4.815 1329 2HB GLU 57 2HB GLU 57 -10.856 -14.550 3.842 1330 1HG GLU 57 1HG GLU 57 -11.809 -16.271 5.929 1331 2HG GLU 57 2HG GLU 57 -13.208 -15.420 5.305 1332 H ASN 58 H ASN 58 -8.926 -15.051 3.788 1333 HA ASN 58 HA ASN 58 -6.803 -16.323 4.891 1334 1HB ASN 58 1HB ASN 58 -9.158 -17.917 5.229 1335 2HB ASN 58 2HB ASN 58 -8.261 -18.672 3.926 1336 1HD2 ASN 58 1HD2 ASN 58 -6.237 -19.528 4.274 1337 2HD2 ASN 58 2HD2 ASN 58 -5.583 -19.834 5.849 1338 H LEU 59 H LEU 59 -5.903 -15.312 2.977 1339 HA LEU 59 HA LEU 59 -5.683 -16.873 0.722 1340 1HB LEU 59 1HB LEU 59 -8.099 -15.255 0.746 1341 2HB LEU 59 2HB LEU 59 -7.062 -14.857 -0.609 1342 HG LEU 59 HG LEU 59 -7.590 -17.750 -0.088 1343 1HD1 LEU 59 1HD1 LEU 59 -9.638 -16.124 -1.585 1344 2HD1 LEU 59 2HD1 LEU 59 -9.745 -17.795 -0.982 1345 3HD1 LEU 59 3HD1 LEU 59 -9.785 -16.432 0.162 1346 1HD2 LEU 59 1HD2 LEU 59 -7.292 -17.994 -2.398 1347 2HD2 LEU 59 2HD2 LEU 59 -7.609 -16.272 -2.717 1348 3HD2 LEU 59 3HD2 LEU 59 -6.095 -16.766 -1.921 1349 H HIS 60 H HIS 60 -3.526 -16.345 0.769 1350 HA HIS 60 HA HIS 60 -2.779 -13.907 -0.381 1351 1HB HIS 60 1HB HIS 60 -1.548 -12.905 1.490 1352 2HB HIS 60 2HB HIS 60 -3.279 -12.923 1.764 1353 HD1 HIS 60 HD1 HIS 60 -0.127 -14.792 2.830 1354 HD2 HIS 60 HD2 HIS 60 -4.085 -14.193 4.083 1355 HE1 HIS 60 HE1 HIS 60 -0.310 -15.845 5.146 1356 HE2 HIS 60 HE2 HIS 60 -2.749 -15.397 5.888 1357 H GLN 61 H GLN 61 -0.404 -13.814 -0.730 1358 HA GLN 61 HA GLN 61 0.591 -16.498 -0.889 1359 1HB GLN 61 1HB GLN 61 1.773 -13.865 -1.877 1360 2HB GLN 61 2HB GLN 61 2.416 -15.453 -2.243 1361 1HG GLN 61 1HG GLN 61 -0.178 -14.201 -3.176 1362 2HG GLN 61 2HG GLN 61 1.076 -14.964 -4.133 1363 1HE2 GLN 61 1HE2 GLN 61 -1.965 -15.305 -3.071 1364 2HE2 GLN 61 2HE2 GLN 61 -2.144 -17.027 -3.037 1365 H GLY 62 H GLY 62 0.821 -13.763 1.227 1366 1HA GLY 62 1HA GLY 62 1.900 -14.453 3.373 1367 2HA GLY 62 2HA GLY 62 3.314 -14.831 2.409 1368 H TYR 63 H TYR 63 0.996 -12.059 2.115 1369 HA TYR 63 HA TYR 63 3.021 -10.191 1.663 1370 1HB TYR 63 1HB TYR 63 0.103 -10.429 2.087 1371 2HB TYR 63 2HB TYR 63 0.699 -8.975 2.863 1372 HD1 TYR 63 HD1 TYR 63 2.135 -7.362 1.412 1373 HD2 TYR 63 HD2 TYR 63 -0.352 -10.439 -0.217 1374 HE1 TYR 63 HE1 TYR 63 2.104 -6.161 -0.829 1375 HE2 TYR 63 HE2 TYR 63 -0.374 -9.228 -2.452 1376 HH TYR 63 HH TYR 63 0.815 -6.017 -2.774 1377 H THR 64 H THR 64 1.397 -11.315 4.660 1378 HA THR 64 HA THR 64 1.971 -11.066 6.799 1379 HB THR 64 HB THR 64 4.463 -9.536 5.938 1380 HG1 THR 64 HG1 THR 64 3.720 -12.374 5.854 1381 1HG2 THR 64 1HG2 THR 64 4.659 -11.820 7.803 1382 2HG2 THR 64 2HG2 THR 64 5.275 -10.160 7.991 1383 3HG2 THR 64 3HG2 THR 64 3.588 -10.538 8.418 1384 H HIS 65 H HIS 65 2.918 -8.041 5.030 1385 HA HIS 65 HA HIS 65 0.809 -6.541 5.815 1386 1HB HIS 65 1HB HIS 65 2.030 -5.186 7.704 1387 2HB HIS 65 2HB HIS 65 1.071 -6.603 8.081 1388 HD1 HIS 65 HD1 HIS 65 2.285 -8.665 9.039 1389 HD2 HIS 65 HD2 HIS 65 4.872 -5.559 7.918 1390 HE1 HIS 65 HE1 HIS 65 4.577 -9.268 9.982 1391 HE2 HIS 65 HE2 HIS 65 6.136 -7.351 9.215 1392 H ILE 66 H ILE 66 1.436 -4.048 5.790 1393 HA ILE 66 HA ILE 66 3.857 -3.679 4.198 1394 HB ILE 66 HB ILE 66 2.783 -2.599 2.445 1395 1HG1 ILE 66 1HG1 ILE 66 0.033 -2.564 2.868 1396 2HG1 ILE 66 2HG1 ILE 66 0.689 -2.078 4.419 1397 1HG2 ILE 66 1HG2 ILE 66 0.919 -4.886 3.131 1398 2HG2 ILE 66 2HG2 ILE 66 1.290 -4.235 1.516 1399 3HG2 ILE 66 3HG2 ILE 66 2.552 -5.077 2.447 1400 1HD1 ILE 66 1HD1 ILE 66 2.283 -0.647 2.642 1401 2HD1 ILE 66 2HD1 ILE 66 0.692 -0.633 1.844 1402 3HD1 ILE 66 3HD1 ILE 66 0.863 -0.002 3.500 1403 H PHE 67 H PHE 67 4.683 -1.486 4.259 1404 HA PHE 67 HA PHE 67 3.494 0.073 6.445 1405 1HB PHE 67 1HB PHE 67 6.426 -0.318 5.593 1406 2HB PHE 67 2HB PHE 67 5.913 0.712 6.914 1407 HD1 PHE 67 HD1 PHE 67 6.432 -2.735 5.827 1408 HD2 PHE 67 HD2 PHE 67 5.148 -0.252 9.019 1409 HE1 PHE 67 HE1 PHE 67 6.605 -4.677 7.408 1410 HE2 PHE 67 HE2 PHE 67 5.321 -2.194 10.600 1411 HZ PHE 67 HZ PHE 67 6.047 -4.383 9.775 1412 H GLU 68 H GLU 68 3.207 2.266 6.091 1413 HA GLU 68 HA GLU 68 3.987 3.151 3.429 1414 1HB GLU 68 1HB GLU 68 1.700 3.900 5.272 1415 2HB GLU 68 2HB GLU 68 2.192 4.989 3.991 1416 1HG GLU 68 1HG GLU 68 1.987 2.256 2.969 1417 2HG GLU 68 2HG GLU 68 0.494 2.720 3.761 1418 H SER 69 H SER 69 5.223 5.032 3.150 1419 HA SER 69 HA SER 69 6.099 6.250 5.652 1420 1HB SER 69 1HB SER 69 7.597 5.176 3.350 1421 2HB SER 69 2HB SER 69 8.073 6.815 3.747 1422 HG SER 69 HG SER 69 9.303 5.199 4.930 1423 H THR 70 H THR 70 5.504 8.376 5.863 1424 HA THR 70 HA THR 70 4.464 9.745 3.527 1425 HB THR 70 HB THR 70 4.649 10.589 6.467 1426 HG1 THR 70 HG1 THR 70 2.911 9.217 6.647 1427 1HG2 THR 70 1HG2 THR 70 2.550 11.876 5.803 1428 2HG2 THR 70 2HG2 THR 70 4.035 12.489 5.036 1429 3HG2 THR 70 3HG2 THR 70 2.908 11.472 4.107 1430 H PHE 71 H PHE 71 5.462 11.269 2.347 1431 HA PHE 71 HA PHE 71 7.931 12.373 3.480 1432 1HB PHE 71 1HB PHE 71 7.294 11.398 0.630 1433 2HB PHE 71 2HB PHE 71 8.780 12.219 1.063 1434 HD1 PHE 71 HD1 PHE 71 7.834 9.216 0.101 1435 HD2 PHE 71 HD2 PHE 71 9.566 10.960 3.560 1436 HE1 PHE 71 HE1 PHE 71 8.880 7.011 0.689 1437 HE2 PHE 71 HE2 PHE 71 10.612 8.755 4.148 1438 HZ PHE 71 HZ PHE 71 10.257 6.807 2.705 1439 H GLU 72 H GLU 72 8.667 14.342 2.004 1440 HA GLU 72 HA GLU 72 6.251 15.920 1.632 1441 1HB GLU 72 1HB GLU 72 8.043 17.849 1.723 1442 2HB GLU 72 2HB GLU 72 7.532 17.071 3.207 1443 1HG GLU 72 1HG GLU 72 9.887 15.916 1.701 1444 2HG GLU 72 2HG GLU 72 10.126 17.374 2.643 1445 H SER 73 H SER 73 9.265 14.772 0.105 1446 HA SER 73 HA SER 73 8.142 15.498 -2.433 1447 1HB SER 73 1HB SER 73 10.808 16.290 -2.776 1448 2HB SER 73 2HB SER 73 9.413 17.348 -2.700 1449 HG SER 73 HG SER 73 10.538 18.162 -1.036 1450 H LYS 74 H LYS 74 9.745 14.624 -4.258 1451 HA LYS 74 HA LYS 74 10.202 11.900 -3.637 1452 1HB LYS 74 1HB LYS 74 9.466 12.346 -5.817 1453 2HB LYS 74 2HB LYS 74 10.616 13.646 -6.056 1454 1HG LYS 74 1HG LYS 74 11.485 11.787 -7.296 1455 2HG LYS 74 2HG LYS 74 12.484 11.899 -5.861 1456 1HD LYS 74 1HD LYS 74 10.423 10.234 -5.001 1457 2HD LYS 74 2HD LYS 74 10.593 9.764 -6.680 1458 1HE LYS 74 1HE LYS 74 13.159 9.649 -6.201 1459 2HE LYS 74 2HE LYS 74 12.721 9.714 -4.505 1460 1HZ LYS 74 1HZ LYS 74 11.461 7.748 -4.748 1461 2HZ LYS 74 2HZ LYS 74 11.610 7.741 -6.374 1462 3HZ LYS 74 3HZ LYS 74 12.915 7.459 -5.433 1463 H GLU 75 H GLU 75 12.264 14.820 -3.992 1464 HA GLU 75 HA GLU 75 14.681 13.475 -3.964 1465 1HB GLU 75 1HB GLU 75 13.834 16.288 -3.216 1466 2HB GLU 75 2HB GLU 75 15.499 15.783 -3.012 1467 1HG GLU 75 1HG GLU 75 15.574 15.106 -5.432 1468 2HG GLU 75 2HG GLU 75 13.922 15.657 -5.626 1469 H ALA 76 H ALA 76 12.464 14.499 -1.358 1470 HA ALA 76 HA ALA 76 14.252 14.216 0.776 1471 1HB ALA 76 1HB ALA 76 11.239 13.786 0.737 1472 2HB ALA 76 2HB ALA 76 12.241 14.224 2.141 1473 3HB ALA 76 3HB ALA 76 12.029 15.379 0.804 1474 H VAL 77 H VAL 77 12.182 11.903 -1.027 1475 HA VAL 77 HA VAL 77 12.364 9.761 0.712 1476 HB VAL 77 HB VAL 77 12.202 9.862 -2.306 1477 1HG1 VAL 77 1HG1 VAL 77 10.924 7.551 -1.503 1478 2HG1 VAL 77 2HG1 VAL 77 12.554 7.645 -2.211 1479 3HG1 VAL 77 3HG1 VAL 77 12.353 7.597 -0.443 1480 1HG2 VAL 77 1HG2 VAL 77 9.770 9.106 -0.944 1481 2HG2 VAL 77 2HG2 VAL 77 10.367 10.662 -0.316 1482 3HG2 VAL 77 3HG2 VAL 77 10.068 10.461 -2.059 1483 H ALA 78 H ALA 78 14.655 11.008 -1.755 1484 HA ALA 78 HA ALA 78 16.393 8.809 -1.694 1485 1HB ALA 78 1HB ALA 78 17.152 11.701 -2.222 1486 2HB ALA 78 2HB ALA 78 17.867 10.227 -2.919 1487 3HB ALA 78 3HB ALA 78 16.224 10.728 -3.388 1488 H GLU 79 H GLU 79 16.341 11.945 0.125 1489 HA GLU 79 HA GLU 79 18.676 11.475 1.516 1490 1HB GLU 79 1HB GLU 79 17.075 13.596 1.292 1491 2HB GLU 79 2HB GLU 79 16.393 12.986 2.786 1492 1HG GLU 79 1HG GLU 79 18.088 14.035 3.873 1493 2HG GLU 79 2HG GLU 79 19.160 12.807 3.230 1494 H TYR 80 H TYR 80 15.228 10.743 2.350 1495 HA TYR 80 HA TYR 80 15.698 9.743 4.899 1496 1HB TYR 80 1HB TYR 80 13.465 10.280 3.954 1497 2HB TYR 80 2HB TYR 80 13.704 9.157 2.631 1498 HD1 TYR 80 HD1 TYR 80 13.199 9.352 6.316 1499 HD2 TYR 80 HD2 TYR 80 13.063 6.880 2.827 1500 HE1 TYR 80 HE1 TYR 80 12.032 7.527 7.646 1501 HE2 TYR 80 HE2 TYR 80 11.896 5.063 4.168 1502 HH TYR 80 HH TYR 80 11.661 5.227 7.601 1503 H ILE 81 H ILE 81 15.810 8.152 1.664 1504 HA ILE 81 HA ILE 81 16.149 5.554 2.734 1505 HB ILE 81 HB ILE 81 16.380 6.840 0.047 1506 1HG1 ILE 81 1HG1 ILE 81 14.807 4.382 0.782 1507 2HG1 ILE 81 2HG1 ILE 81 14.226 5.968 1.249 1508 1HG2 ILE 81 1HG2 ILE 81 16.981 4.620 -0.915 1509 2HG2 ILE 81 2HG2 ILE 81 18.285 5.382 0.027 1510 3HG2 ILE 81 3HG2 ILE 81 17.338 4.050 0.733 1511 1HD1 ILE 81 1HD1 ILE 81 14.625 4.833 -1.523 1512 2HD1 ILE 81 2HD1 ILE 81 13.226 5.708 -0.854 1513 3HD1 ILE 81 3HD1 ILE 81 14.709 6.595 -1.283 1514 H ALA 82 H ALA 82 18.264 8.308 2.134 1515 HA ALA 82 HA ALA 82 20.612 6.603 2.485 1516 1HB ALA 82 1HB ALA 82 21.795 8.235 1.375 1517 2HB ALA 82 2HB ALA 82 20.183 8.552 0.690 1518 3HB ALA 82 3HB ALA 82 20.796 9.556 2.026 1519 H HIS 83 H HIS 83 19.127 6.550 4.755 1520 HA HIS 83 HA HIS 83 20.460 8.528 6.459 1521 1HB HIS 83 1HB HIS 83 17.779 8.284 6.133 1522 2HB HIS 83 2HB HIS 83 18.021 7.157 7.453 1523 HD1 HIS 83 HD1 HIS 83 18.016 8.163 9.743 1524 HD2 HIS 83 HD2 HIS 83 18.982 10.974 6.783 1525 HE1 HIS 83 HE1 HIS 83 18.208 10.414 10.930 1526 HE2 HIS 83 HE2 HIS 83 18.857 12.091 9.069 1527 HA PRO 84 HA PRO 84 22.359 5.081 8.278 1528 1HB PRO 84 1HB PRO 84 23.438 6.273 10.488 1529 2HB PRO 84 2HB PRO 84 24.184 6.338 8.904 1530 1HG PRO 84 1HG PRO 84 22.708 8.455 10.345 1531 2HG PRO 84 2HG PRO 84 23.805 8.612 8.988 1532 1HD PRO 84 1HD PRO 84 20.941 8.743 8.902 1533 2HD PRO 84 2HD PRO 84 22.033 8.784 7.533 1534 H ALA 85 H ALA 85 20.125 7.013 10.100 1535 HA ALA 85 HA ALA 85 19.864 5.312 12.284 1536 1HB ALA 85 1HB ALA 85 18.109 6.699 12.859 1537 2HB ALA 85 2HB ALA 85 18.924 7.734 11.663 1538 3HB ALA 85 3HB ALA 85 17.491 6.789 11.192 1539 H HIS 86 H HIS 86 18.241 5.353 9.059 1540 HA HIS 86 HA HIS 86 16.566 3.160 9.730 1541 1HB HIS 86 1HB HIS 86 15.565 4.390 8.109 1542 2HB HIS 86 2HB HIS 86 17.079 4.887 7.380 1543 HD1 HIS 86 HD1 HIS 86 14.279 2.565 6.937 1544 HD2 HIS 86 HD2 HIS 86 18.278 2.771 5.687 1545 HE1 HIS 86 HE1 HIS 86 14.502 0.940 4.982 1546 HE2 HIS 86 HE2 HIS 86 16.966 1.151 4.222 1547 H VAL 87 H VAL 87 19.694 3.619 8.011 1548 HA VAL 87 HA VAL 87 19.919 1.012 7.047 1549 HB VAL 87 HB VAL 87 21.755 3.295 7.613 1550 1HG1 VAL 87 1HG1 VAL 87 23.130 1.482 8.370 1551 2HG1 VAL 87 2HG1 VAL 87 22.668 0.473 6.978 1552 3HG1 VAL 87 3HG1 VAL 87 23.672 1.922 6.733 1553 1HG2 VAL 87 1HG2 VAL 87 21.874 1.872 5.039 1554 2HG2 VAL 87 2HG2 VAL 87 20.264 2.517 5.439 1555 3HG2 VAL 87 3HG2 VAL 87 21.671 3.606 5.386 1556 H GLU 88 H GLU 88 20.774 2.525 10.197 1557 HA GLU 88 HA GLU 88 22.235 0.450 11.216 1558 1HB GLU 88 1HB GLU 88 21.709 2.840 12.154 1559 2HB GLU 88 2HB GLU 88 20.329 2.080 12.921 1560 1HG GLU 88 1HG GLU 88 22.977 0.694 13.238 1561 2HG GLU 88 2HG GLU 88 22.778 2.211 14.093 1562 H PHE 89 H PHE 89 18.662 1.017 11.278 1563 HA PHE 89 HA PHE 89 18.146 -1.337 12.775 1564 1HB PHE 89 1HB PHE 89 16.763 0.927 11.436 1565 2HB PHE 89 2HB PHE 89 15.858 -0.563 11.263 1566 HD1 PHE 89 HD1 PHE 89 17.922 0.608 14.134 1567 HD2 PHE 89 HD2 PHE 89 14.041 -0.324 12.692 1568 HE1 PHE 89 HE1 PHE 89 16.991 0.905 16.446 1569 HE2 PHE 89 HE2 PHE 89 13.110 -0.027 15.004 1570 HZ PHE 89 HZ PHE 89 14.596 0.584 16.854 1571 H ALA 90 H ALA 90 18.108 -0.452 9.279 1572 HA ALA 90 HA ALA 90 16.892 -2.726 8.302 1573 1HB ALA 90 1HB ALA 90 18.442 -0.476 7.327 1574 2HB ALA 90 2HB ALA 90 18.905 -1.963 6.465 1575 3HB ALA 90 3HB ALA 90 17.204 -1.440 6.486 1576 H THR 91 H THR 91 20.184 -2.183 9.544 1577 HA THR 91 HA THR 91 21.243 -4.611 8.479 1578 HB THR 91 HB THR 91 22.178 -2.745 10.724 1579 HG1 THR 91 HG1 THR 91 21.790 -1.972 8.407 1580 1HG2 THR 91 1HG2 THR 91 23.308 -5.083 10.520 1581 2HG2 THR 91 2HG2 THR 91 23.852 -4.544 8.913 1582 3HG2 THR 91 3HG2 THR 91 24.377 -3.667 10.371 1583 H ILE 92 H ILE 92 19.748 -3.616 11.592 1584 HA ILE 92 HA ILE 92 20.293 -6.110 12.830 1585 HB ILE 92 HB ILE 92 18.500 -3.780 13.476 1586 1HG1 ILE 92 1HG1 ILE 92 20.934 -3.437 13.672 1587 2HG1 ILE 92 2HG1 ILE 92 20.110 -3.325 15.215 1588 1HG2 ILE 92 1HG2 ILE 92 17.391 -5.763 14.331 1589 2HG2 ILE 92 2HG2 ILE 92 18.901 -6.307 15.100 1590 3HG2 ILE 92 3HG2 ILE 92 18.097 -4.824 15.668 1591 1HD1 ILE 92 1HD1 ILE 92 20.861 -6.089 14.763 1592 2HD1 ILE 92 2HD1 ILE 92 22.280 -5.042 14.523 1593 3HD1 ILE 92 3HD1 ILE 92 21.386 -4.990 16.061 1594 H PHE 93 H PHE 93 17.750 -4.806 10.728 1595 HA PHE 93 HA PHE 93 15.845 -6.807 11.332 1596 1HB PHE 93 1HB PHE 93 15.466 -4.513 10.269 1597 2HB PHE 93 2HB PHE 93 16.334 -5.056 8.847 1598 HD1 PHE 93 HD1 PHE 93 15.228 -6.240 7.140 1599 HD2 PHE 93 HD2 PHE 93 13.299 -5.687 10.879 1600 HE1 PHE 93 HE1 PHE 93 13.085 -7.108 6.163 1601 HE2 PHE 93 HE2 PHE 93 11.156 -6.555 9.902 1602 HZ PHE 93 HZ PHE 93 11.075 -7.255 7.555 1603 H LEU 94 H LEU 94 18.539 -6.489 8.991 1604 HA LEU 94 HA LEU 94 17.800 -8.590 7.314 1605 1HB LEU 94 1HB LEU 94 19.701 -8.124 6.247 1606 2HB LEU 94 2HB LEU 94 19.683 -6.696 7.264 1607 HG LEU 94 HG LEU 94 21.078 -8.221 8.912 1608 1HD1 LEU 94 1HD1 LEU 94 20.711 -10.097 7.004 1609 2HD1 LEU 94 2HD1 LEU 94 22.259 -9.401 6.467 1610 3HD1 LEU 94 3HD1 LEU 94 22.104 -10.062 8.112 1611 1HD2 LEU 94 1HD2 LEU 94 23.081 -7.527 7.117 1612 2HD2 LEU 94 2HD2 LEU 94 21.762 -6.389 6.755 1613 3HD2 LEU 94 3HD2 LEU 94 22.406 -6.507 8.410 1614 H GLY 95 H GLY 95 19.223 -8.496 10.551 1615 1HA GLY 95 1HA GLY 95 20.415 -11.017 10.638 1616 2HA GLY 95 2HA GLY 95 19.762 -10.127 11.999 1617 H SER 96 H SER 96 17.036 -10.074 10.425 1618 HA SER 96 HA SER 96 16.316 -12.830 10.446 1619 1HB SER 96 1HB SER 96 14.410 -12.325 12.153 1620 2HB SER 96 2HB SER 96 16.018 -12.643 12.771 1621 HG SER 96 HG SER 96 14.570 -10.187 12.658 1622 H LEU 97 H LEU 97 16.161 -11.612 8.197 1623 HA LEU 97 HA LEU 97 13.469 -10.444 8.022 1624 1HB LEU 97 1HB LEU 97 14.192 -8.816 6.678 1625 2HB LEU 97 2HB LEU 97 15.717 -9.107 7.491 1626 HG LEU 97 HG LEU 97 16.150 -10.782 5.519 1627 1HD1 LEU 97 1HD1 LEU 97 14.095 -10.855 4.406 1628 2HD1 LEU 97 2HD1 LEU 97 13.890 -9.088 4.465 1629 3HD1 LEU 97 3HD1 LEU 97 15.110 -9.807 3.387 1630 1HD2 LEU 97 1HD2 LEU 97 16.674 -8.474 4.132 1631 2HD2 LEU 97 2HD2 LEU 97 16.558 -7.891 5.810 1632 3HD2 LEU 97 3HD2 LEU 97 17.709 -9.183 5.394 1633 H ASP 98 H ASP 98 12.007 -11.492 6.755 1634 HA ASP 98 HA ASP 98 12.880 -13.956 5.618 1635 1HB ASP 98 1HB ASP 98 10.630 -13.397 6.856 1636 2HB ASP 98 2HB ASP 98 10.118 -12.721 5.322 1637 H LYS 99 H LYS 99 11.181 -10.926 4.507 1638 HA LYS 99 HA LYS 99 12.571 -11.067 1.990 1639 1HB LYS 99 1HB LYS 99 10.531 -11.061 0.620 1640 2HB LYS 99 2HB LYS 99 10.724 -12.559 1.508 1641 1HG LYS 99 1HG LYS 99 8.788 -12.241 2.662 1642 2HG LYS 99 2HG LYS 99 9.224 -10.599 3.092 1643 1HD LYS 99 1HD LYS 99 7.816 -9.761 1.525 1644 2HD LYS 99 2HD LYS 99 8.623 -10.667 0.260 1645 1HE LYS 99 1HE LYS 99 6.659 -12.063 2.108 1646 2HE LYS 99 2HE LYS 99 6.069 -11.125 0.750 1647 1HZ LYS 99 1HZ LYS 99 8.140 -12.710 -0.165 1648 2HZ LYS 99 2HZ LYS 99 7.165 -13.675 0.722 1649 3HZ LYS 99 3HZ LYS 99 6.552 -12.827 -0.531 1650 H VAL 100 H VAL 100 12.369 -9.041 0.773 1651 HA VAL 100 HA VAL 100 11.024 -6.887 2.176 1652 HB VAL 100 HB VAL 100 13.309 -5.609 1.799 1653 1HG1 VAL 100 1HG1 VAL 100 13.831 -6.794 4.257 1654 2HG1 VAL 100 2HG1 VAL 100 12.796 -5.375 3.967 1655 3HG1 VAL 100 3HG1 VAL 100 12.075 -7.000 4.056 1656 1HG2 VAL 100 1HG2 VAL 100 15.223 -7.081 2.481 1657 2HG2 VAL 100 2HG2 VAL 100 14.168 -8.489 2.215 1658 3HG2 VAL 100 3HG2 VAL 100 14.583 -7.419 0.855 1659 H LEU 101 H LEU 101 9.735 -6.144 0.565 1660 HA LEU 101 HA LEU 101 11.006 -5.817 -2.064 1661 1HB LEU 101 1HB LEU 101 8.503 -7.085 -1.253 1662 2HB LEU 101 2HB LEU 101 8.277 -5.872 -2.498 1663 HG LEU 101 HG LEU 101 8.592 -8.191 -3.353 1664 1HD1 LEU 101 1HD1 LEU 101 9.412 -7.365 -5.262 1665 2HD1 LEU 101 2HD1 LEU 101 9.500 -5.817 -4.388 1666 3HD1 LEU 101 3HD1 LEU 101 10.940 -6.858 -4.502 1667 1HD2 LEU 101 1HD2 LEU 101 11.123 -7.938 -1.821 1668 2HD2 LEU 101 2HD2 LEU 101 10.112 -9.364 -2.155 1669 3HD2 LEU 101 3HD2 LEU 101 11.218 -8.745 -3.405 1670 H VAL 102 H VAL 102 11.091 -3.774 -2.872 1671 HA VAL 102 HA VAL 102 9.681 -1.735 -1.309 1672 HB VAL 102 HB VAL 102 12.125 -1.614 -3.084 1673 1HG1 VAL 102 1HG1 VAL 102 12.260 0.694 -2.771 1674 2HG1 VAL 102 2HG1 VAL 102 10.523 0.433 -3.057 1675 3HG1 VAL 102 3HG1 VAL 102 11.125 0.679 -1.400 1676 1HG2 VAL 102 1HG2 VAL 102 11.840 -2.359 -0.391 1677 2HG2 VAL 102 2HG2 VAL 102 13.346 -1.947 -1.245 1678 3HG2 VAL 102 3HG2 VAL 102 12.455 -0.689 -0.355 1679 H ILE 103 H ILE 103 8.124 -0.465 -2.246 1680 HA ILE 103 HA ILE 103 7.946 -0.442 -5.144 1681 HB ILE 103 HB ILE 103 5.749 -1.457 -3.341 1682 1HG1 ILE 103 1HG1 ILE 103 7.526 -3.085 -3.996 1683 2HG1 ILE 103 2HG1 ILE 103 5.917 -3.508 -4.546 1684 1HG2 ILE 103 1HG2 ILE 103 5.639 -0.134 -5.963 1685 2HG2 ILE 103 2HG2 ILE 103 4.810 -1.708 -5.899 1686 3HG2 ILE 103 3HG2 ILE 103 4.361 -0.419 -4.757 1687 1HD1 ILE 103 1HD1 ILE 103 8.307 -3.021 -6.121 1688 2HD1 ILE 103 2HD1 ILE 103 6.727 -3.642 -6.654 1689 3HD1 ILE 103 3HD1 ILE 103 7.025 -1.888 -6.609 1690 H ASP 104 H ASP 104 6.851 1.412 -5.959 1691 HA ASP 104 HA ASP 104 6.302 3.364 -3.862 1692 1HB ASP 104 1HB ASP 104 8.336 3.671 -5.498 1693 2HB ASP 104 2HB ASP 104 7.126 4.052 -6.706 1694 H TYR 105 H TYR 105 4.404 4.716 -4.207 1695 HA TYR 105 HA TYR 105 2.816 4.102 -6.590 1696 1HB TYR 105 1HB TYR 105 2.213 2.706 -4.482 1697 2HB TYR 105 2HB TYR 105 1.868 4.215 -3.660 1698 HD1 TYR 105 HD1 TYR 105 0.403 1.548 -5.344 1699 HD2 TYR 105 HD2 TYR 105 0.176 5.812 -5.072 1700 HE1 TYR 105 HE1 TYR 105 -1.985 1.484 -6.215 1701 HE2 TYR 105 HE2 TYR 105 -2.211 5.733 -5.944 1702 HH TYR 105 HH TYR 105 -3.837 2.647 -6.469 1703 H LYS 106 H LYS 106 1.678 5.849 -7.408 1704 HA LYS 106 HA LYS 106 1.736 8.281 -5.765 1705 1HB LYS 106 1HB LYS 106 2.503 7.957 -8.674 1706 2HB LYS 106 2HB LYS 106 2.072 9.507 -7.978 1707 1HG LYS 106 1HG LYS 106 3.856 9.106 -6.190 1708 2HG LYS 106 2HG LYS 106 4.351 7.682 -7.084 1709 1HD LYS 106 1HD LYS 106 5.420 8.909 -8.693 1710 2HD LYS 106 2HD LYS 106 4.118 10.076 -8.805 1711 1HE LYS 106 1HE LYS 106 5.792 10.127 -6.302 1712 2HE LYS 106 2HE LYS 106 6.542 10.707 -7.776 1713 1HZ LYS 106 1HZ LYS 106 5.433 12.481 -6.671 1714 2HZ LYS 106 2HZ LYS 106 4.633 12.176 -8.062 1715 3HZ LYS 106 3HZ LYS 106 4.013 11.675 -6.636 1716 HA PRO 107 HA PRO 107 -2.477 8.402 -6.705 1717 1HB PRO 107 1HB PRO 107 -3.053 11.008 -6.120 1718 2HB PRO 107 2HB PRO 107 -2.910 9.761 -4.898 1719 1HG PRO 107 1HG PRO 107 -1.003 11.914 -5.581 1720 2HG PRO 107 2HG PRO 107 -1.087 10.944 -4.124 1721 1HD PRO 107 1HD PRO 107 0.780 10.644 -6.281 1722 2HD PRO 107 2HD PRO 107 0.620 9.603 -4.880 1723 H THR 108 H THR 108 -2.436 7.846 -8.901 1724 HA THR 108 HA THR 108 -2.649 10.250 -10.594 1725 HB THR 108 HB THR 108 -1.253 7.579 -10.951 1726 HG1 THR 108 HG1 THR 108 0.378 9.104 -11.487 1727 1HG2 THR 108 1HG2 THR 108 -1.946 7.433 -13.128 1728 2HG2 THR 108 2HG2 THR 108 -2.861 8.954 -12.991 1729 3HG2 THR 108 3HG2 THR 108 -1.131 8.991 -13.406 1730 H SER 109 H SER 109 -4.950 10.137 -9.748 1731 HA SER 109 HA SER 109 -6.458 7.961 -10.834 1732 1HB SER 109 1HB SER 109 -8.411 9.416 -9.905 1733 2HB SER 109 2HB SER 109 -7.306 8.681 -8.761 1734 HG SER 109 HG SER 109 -6.863 10.639 -8.047 1735 H VAL 110 H VAL 110 -8.421 8.420 -12.256 1736 HA VAL 110 HA VAL 110 -7.639 10.363 -14.288 1737 HB VAL 110 HB VAL 110 -9.639 8.094 -14.342 1738 1HG1 VAL 110 1HG1 VAL 110 -10.398 8.988 -16.237 1739 2HG1 VAL 110 2HG1 VAL 110 -9.223 10.320 -16.119 1740 3HG1 VAL 110 3HG1 VAL 110 -8.775 8.808 -16.946 1741 1HG2 VAL 110 1HG2 VAL 110 -7.254 7.868 -16.032 1742 2HG2 VAL 110 2HG2 VAL 110 -6.877 7.905 -14.293 1743 3HG2 VAL 110 3HG2 VAL 110 -8.000 6.681 -14.934 1744 H SER 111 H SER 111 -8.700 12.266 -14.531 1745 HA SER 111 HA SER 111 -10.785 12.851 -12.713 1746 1HB SER 111 1HB SER 111 -10.672 14.909 -14.649 1747 2HB SER 111 2HB SER 111 -9.914 14.903 -13.070 1748 HG SER 111 HG SER 111 -8.675 14.968 -15.412 1749 H LEU 112 H LEU 112 -12.995 12.760 -13.049 1750 HA LEU 112 HA LEU 112 -13.842 12.066 -15.771 1751 1HB LEU 112 1HB LEU 112 -15.385 11.582 -13.232 1752 2HB LEU 112 2HB LEU 112 -15.662 10.896 -14.820 1753 HG LEU 112 HG LEU 112 -13.074 10.078 -14.217 1754 1HD1 LEU 112 1HD1 LEU 112 -14.631 9.391 -11.756 1755 2HD1 LEU 112 2HD1 LEU 112 -12.872 9.431 -12.028 1756 3HD1 LEU 112 3HD1 LEU 112 -13.778 10.951 -11.835 1757 1HD2 LEU 112 1HD2 LEU 112 -15.776 8.818 -14.283 1758 2HD2 LEU 112 2HD2 LEU 112 -14.334 8.504 -15.277 1759 3HD2 LEU 112 3HD2 LEU 112 -14.425 7.871 -13.616 Start of MODEL 3 1 1H GLY 1 1H GLY 1 -22.700 15.084 -6.103 2 1HA GLY 1 1HA GLY 1 -20.598 16.851 -6.928 3 2HA GLY 1 2HA GLY 1 -21.203 17.236 -5.329 4 H SER 2 H SER 2 -18.731 16.557 -5.053 5 HA SER 2 HA SER 2 -18.722 14.278 -3.548 6 1HB SER 2 1HB SER 2 -17.282 12.759 -4.948 7 2HB SER 2 2HB SER 2 -18.916 12.937 -5.556 8 HG SER 2 HG SER 2 -16.585 13.458 -6.837 9 H HIS 3 H HIS 3 -16.912 14.402 -2.207 10 HA HIS 3 HA HIS 3 -14.920 16.374 -3.020 11 1HB HIS 3 1HB HIS 3 -14.359 16.299 -0.525 12 2HB HIS 3 2HB HIS 3 -15.859 17.065 -1.008 13 HD1 HIS 3 HD1 HIS 3 -17.213 16.638 1.102 14 HD2 HIS 3 HD2 HIS 3 -15.524 13.147 -0.496 15 HE1 HIS 3 HE1 HIS 3 -18.226 14.692 2.406 16 HE2 HIS 3 HE2 HIS 3 -17.192 12.572 1.342 17 H MET 4 H MET 4 -12.655 15.831 -1.843 18 HA MET 4 HA MET 4 -12.115 13.025 -1.844 19 1HB MET 4 1HB MET 4 -11.728 14.619 -4.230 20 2HB MET 4 2HB MET 4 -10.137 14.247 -3.597 21 1HG MET 4 1HG MET 4 -11.705 11.840 -3.404 22 2HG MET 4 2HG MET 4 -11.966 12.498 -5.007 23 1HE MET 4 1HE MET 4 -8.024 11.007 -3.207 24 2HE MET 4 2HE MET 4 -9.062 12.184 -2.368 25 3HE MET 4 3HE MET 4 -9.671 10.548 -2.715 26 H GLU 5 H GLU 5 -10.761 12.708 -0.134 27 HA GLU 5 HA GLU 5 -9.037 14.953 0.559 28 1HB GLU 5 1HB GLU 5 -10.842 13.356 2.123 29 2HB GLU 5 2HB GLU 5 -9.220 13.012 2.689 30 1HG GLU 5 1HG GLU 5 -9.325 14.945 3.874 31 2HG GLU 5 2HG GLU 5 -9.202 15.800 2.349 32 H GLU 6 H GLU 6 -6.804 14.584 0.986 33 HA GLU 6 HA GLU 6 -5.852 12.153 -0.228 34 1HB GLU 6 1HB GLU 6 -4.646 14.828 0.473 35 2HB GLU 6 2HB GLU 6 -3.572 13.458 0.267 36 1HG GLU 6 1HG GLU 6 -3.926 13.344 -2.003 37 2HG GLU 6 2HG GLU 6 -5.636 13.701 -1.861 38 H ALA 7 H ALA 7 -5.392 10.381 0.997 39 HA ALA 7 HA ALA 7 -5.171 9.158 2.862 40 1HB ALA 7 1HB ALA 7 -2.858 11.087 3.297 41 2HB ALA 7 2HB ALA 7 -2.962 9.394 3.835 42 3HB ALA 7 3HB ALA 7 -2.853 9.772 2.099 43 H LYS 8 H LYS 8 -7.235 10.934 3.296 44 HA LYS 8 HA LYS 8 -6.724 11.767 6.066 45 1HB LYS 8 1HB LYS 8 -7.552 13.358 3.835 46 2HB LYS 8 2HB LYS 8 -8.898 13.248 4.951 47 1HG LYS 8 1HG LYS 8 -6.055 13.974 5.797 48 2HG LYS 8 2HG LYS 8 -7.289 15.161 5.421 49 1HD LYS 8 1HD LYS 8 -8.619 14.573 7.299 50 2HD LYS 8 2HD LYS 8 -7.875 12.994 7.459 51 1HE LYS 8 1HE LYS 8 -6.043 13.813 8.622 52 2HE LYS 8 2HE LYS 8 -6.018 15.327 7.739 53 1HZ LYS 8 1HZ LYS 8 -8.272 15.614 9.023 54 2HZ LYS 8 2HZ LYS 8 -7.537 14.616 10.087 55 3HZ LYS 8 3HZ LYS 8 -6.842 16.039 9.687 56 H GLY 9 H GLY 9 -7.527 9.124 5.105 57 1HA GLY 9 1HA GLY 9 -8.973 7.550 5.838 58 2HA GLY 9 2HA GLY 9 -9.822 8.770 6.766 59 HA PRO 10 HA PRO 10 -11.288 7.519 7.021 60 1HB PRO 10 1HB PRO 10 -13.194 5.576 6.773 61 2HB PRO 10 2HB PRO 10 -13.568 7.237 7.188 62 1HG PRO 10 1HG PRO 10 -13.964 5.836 4.615 63 2HG PRO 10 2HG PRO 10 -14.698 7.324 5.179 64 1HD PRO 10 1HD PRO 10 -12.563 7.076 3.280 65 2HD PRO 10 2HD PRO 10 -13.219 8.565 3.932 66 H VAL 11 H VAL 11 -11.709 5.099 4.472 67 HA VAL 11 HA VAL 11 -9.234 3.884 5.435 68 HB VAL 11 HB VAL 11 -11.917 2.536 5.141 69 1HG1 VAL 11 1HG1 VAL 11 -10.627 0.946 4.079 70 2HG1 VAL 11 2HG1 VAL 11 -9.149 1.387 4.967 71 3HG1 VAL 11 3HG1 VAL 11 -10.428 0.450 5.777 72 1HG2 VAL 11 1HG2 VAL 11 -11.801 2.074 7.403 73 2HG2 VAL 11 2HG2 VAL 11 -10.025 2.188 7.449 74 3HG2 VAL 11 3HG2 VAL 11 -11.009 3.667 7.337 75 H LYS 12 H LYS 12 -7.924 3.151 3.787 76 HA LYS 12 HA LYS 12 -9.100 3.321 1.099 77 1HB LYS 12 1HB LYS 12 -6.842 3.985 0.325 78 2HB LYS 12 2HB LYS 12 -7.569 5.145 1.419 79 1HG LYS 12 1HG LYS 12 -6.010 4.774 3.071 80 2HG LYS 12 2HG LYS 12 -5.955 3.047 2.780 81 1HD LYS 12 1HD LYS 12 -3.910 3.457 1.851 82 2HD LYS 12 2HD LYS 12 -4.814 4.000 0.452 83 1HE LYS 12 1HE LYS 12 -4.084 6.130 0.740 84 2HE LYS 12 2HE LYS 12 -4.707 6.168 2.377 85 1HZ LYS 12 1HZ LYS 12 -2.507 6.363 2.761 86 2HZ LYS 12 2HZ LYS 12 -2.591 4.733 2.798 87 3HZ LYS 12 3HZ LYS 12 -2.047 5.492 1.459 88 H HIS 13 H HIS 13 -9.161 1.452 -0.029 89 HA HIS 13 HA HIS 13 -7.828 -0.826 1.138 90 1HB HIS 13 1HB HIS 13 -10.167 -1.015 0.480 91 2HB HIS 13 2HB HIS 13 -9.777 -0.565 -1.168 92 HD1 HIS 13 HD1 HIS 13 -10.313 -3.473 0.898 93 HD2 HIS 13 HD2 HIS 13 -7.861 -2.575 -2.385 94 HE1 HIS 13 HE1 HIS 13 -9.607 -5.712 -0.100 95 HE2 HIS 13 HE2 HIS 13 -8.147 -5.095 -2.146 96 H VAL 14 H VAL 14 -5.961 -1.735 0.389 97 HA VAL 14 HA VAL 14 -4.875 -0.565 -2.072 98 HB VAL 14 HB VAL 14 -3.507 -1.905 0.270 99 1HG1 VAL 14 1HG1 VAL 14 -2.606 -1.335 -2.430 100 2HG1 VAL 14 2HG1 VAL 14 -1.641 -0.441 -1.231 101 3HG1 VAL 14 3HG1 VAL 14 -1.783 -2.211 -1.117 102 1HG2 VAL 14 1HG2 VAL 14 -2.771 0.254 0.952 103 2HG2 VAL 14 2HG2 VAL 14 -3.376 1.012 -0.541 104 3HG2 VAL 14 3HG2 VAL 14 -4.523 0.387 0.668 105 H LEU 15 H LEU 15 -4.927 -1.817 -3.859 106 HA LEU 15 HA LEU 15 -4.870 -4.722 -3.429 107 1HB LEU 15 1HB LEU 15 -7.037 -3.339 -4.312 108 2HB LEU 15 2HB LEU 15 -6.245 -3.704 -5.831 109 HG LEU 15 HG LEU 15 -6.741 -5.882 -3.811 110 1HD1 LEU 15 1HD1 LEU 15 -8.863 -4.543 -4.305 111 2HD1 LEU 15 2HD1 LEU 15 -8.739 -5.184 -5.961 112 3HD1 LEU 15 3HD1 LEU 15 -8.915 -6.300 -4.587 113 1HD2 LEU 15 1HD2 LEU 15 -7.089 -6.651 -6.545 114 2HD2 LEU 15 2HD2 LEU 15 -5.562 -5.749 -6.389 115 3HD2 LEU 15 3HD2 LEU 15 -5.858 -7.181 -5.374 116 H LEU 16 H LEU 16 -3.246 -5.782 -4.457 117 HA LEU 16 HA LEU 16 -1.867 -4.284 -6.576 118 1HB LEU 16 1HB LEU 16 0.193 -4.852 -5.751 119 2HB LEU 16 2HB LEU 16 -0.717 -4.498 -4.296 120 HG LEU 16 HG LEU 16 -0.762 -7.339 -5.107 121 1HD1 LEU 16 1HD1 LEU 16 1.707 -7.062 -3.752 122 2HD1 LEU 16 2HD1 LEU 16 1.410 -7.670 -5.398 123 3HD1 LEU 16 3HD1 LEU 16 1.741 -5.941 -5.134 124 1HD2 LEU 16 1HD2 LEU 16 -1.078 -5.740 -2.745 125 2HD2 LEU 16 2HD2 LEU 16 -1.434 -7.466 -2.999 126 3HD2 LEU 16 3HD2 LEU 16 0.189 -6.960 -2.470 127 H ALA 17 H ALA 17 -1.369 -5.398 -8.460 128 HA ALA 17 HA ALA 17 -1.587 -8.250 -8.546 129 1HB ALA 17 1HB ALA 17 -3.485 -8.361 -10.059 130 2HB ALA 17 2HB ALA 17 -3.986 -7.510 -8.578 131 3HB ALA 17 3HB ALA 17 -3.639 -6.588 -10.060 132 H SER 18 H SER 18 -0.534 -9.084 -10.384 133 HA SER 18 HA SER 18 0.623 -7.003 -12.070 134 1HB SER 18 1HB SER 18 1.955 -8.819 -10.448 135 2HB SER 18 2HB SER 18 1.994 -9.633 -11.999 136 HG SER 18 HG SER 18 2.596 -7.054 -12.489 137 H PHE 19 H PHE 19 0.668 -7.360 -14.355 138 HA PHE 19 HA PHE 19 -1.281 -9.313 -15.233 139 1HB PHE 19 1HB PHE 19 0.269 -6.941 -16.391 140 2HB PHE 19 2HB PHE 19 -0.601 -8.013 -17.470 141 HD1 PHE 19 HD1 PHE 19 -3.129 -8.491 -16.614 142 HD2 PHE 19 HD2 PHE 19 -0.832 -5.030 -15.746 143 HE1 PHE 19 HE1 PHE 19 -5.238 -7.195 -16.202 144 HE2 PHE 19 HE2 PHE 19 -2.942 -3.733 -15.334 145 HZ PHE 19 HZ PHE 19 -5.119 -4.831 -15.567 146 H LYS 20 H LYS 20 -0.674 -11.323 -15.867 147 HA LYS 20 HA LYS 20 1.994 -12.073 -16.134 148 1HB LYS 20 1HB LYS 20 0.933 -14.146 -17.214 149 2HB LYS 20 2HB LYS 20 0.504 -13.769 -15.558 150 1HG LYS 20 1HG LYS 20 -1.665 -13.103 -16.112 151 2HG LYS 20 2HG LYS 20 -1.211 -12.565 -17.717 152 1HD LYS 20 1HD LYS 20 -2.358 -14.523 -18.253 153 2HD LYS 20 2HD LYS 20 -0.724 -15.147 -18.139 154 1HE LYS 20 1HE LYS 20 -1.214 -15.683 -15.672 155 2HE LYS 20 2HE LYS 20 -2.889 -15.278 -15.991 156 1HZ LYS 20 1HZ LYS 20 -2.826 -17.504 -16.398 157 2HZ LYS 20 2HZ LYS 20 -2.594 -16.937 -17.912 158 3HZ LYS 20 3HZ LYS 20 -1.326 -17.494 -17.045 159 H ASP 21 H ASP 21 3.016 -13.014 -18.152 160 HA ASP 21 HA ASP 21 2.915 -11.008 -20.140 161 1HB ASP 21 1HB ASP 21 4.811 -12.813 -19.244 162 2HB ASP 21 2HB ASP 21 4.316 -13.571 -20.744 163 H GLY 22 H GLY 22 1.625 -11.061 -21.995 164 1HA GLY 22 1HA GLY 22 1.096 -12.678 -23.880 165 2HA GLY 22 2HA GLY 22 0.290 -13.615 -22.638 166 H VAL 23 H VAL 23 -0.141 -10.591 -21.458 167 HA VAL 23 HA VAL 23 -2.773 -10.405 -22.668 168 HB VAL 23 HB VAL 23 -1.422 -9.354 -20.213 169 1HG1 VAL 23 1HG1 VAL 23 -3.738 -8.084 -21.650 170 2HG1 VAL 23 2HG1 VAL 23 -3.688 -8.077 -19.871 171 3HG1 VAL 23 3HG1 VAL 23 -2.371 -7.324 -20.801 172 1HG2 VAL 23 1HG2 VAL 23 -2.780 -11.556 -20.440 173 2HG2 VAL 23 2HG2 VAL 23 -3.102 -10.488 -19.052 174 3HG2 VAL 23 3HG2 VAL 23 -4.206 -10.490 -20.449 175 H SER 24 H SER 24 -3.415 -8.806 -24.068 176 HA SER 24 HA SER 24 -1.428 -7.390 -25.392 177 1HB SER 24 1HB SER 24 -4.393 -7.595 -25.471 178 2HB SER 24 2HB SER 24 -3.765 -6.065 -26.051 179 HG SER 24 HG SER 24 -3.776 -7.394 -27.845 180 HA PRO 25 HA PRO 25 -1.252 -3.656 -23.163 181 1HB PRO 25 1HB PRO 25 -0.886 -1.751 -25.089 182 2HB PRO 25 2HB PRO 25 0.401 -2.791 -24.513 183 1HG PRO 25 1HG PRO 25 -1.086 -2.923 -27.064 184 2HG PRO 25 2HG PRO 25 0.451 -3.656 -26.650 185 1HD PRO 25 1HD PRO 25 -2.090 -4.976 -26.819 186 2HD PRO 25 2HD PRO 25 -0.575 -5.683 -26.294 187 H GLU 26 H GLU 26 -3.522 -3.544 -25.822 188 HA GLU 26 HA GLU 26 -4.889 -1.325 -24.823 189 1HB GLU 26 1HB GLU 26 -6.688 -2.044 -26.416 190 2HB GLU 26 2HB GLU 26 -5.102 -1.973 -27.158 191 1HG GLU 26 1HG GLU 26 -5.030 -4.234 -27.529 192 2HG GLU 26 2HG GLU 26 -5.706 -4.615 -25.958 193 H LYS 27 H LYS 27 -5.007 -4.808 -24.138 194 HA LYS 27 HA LYS 27 -7.539 -4.904 -22.970 195 1HB LYS 27 1HB LYS 27 -6.250 -6.876 -23.676 196 2HB LYS 27 2HB LYS 27 -5.070 -6.577 -22.416 197 1HG LYS 27 1HG LYS 27 -6.477 -7.298 -20.721 198 2HG LYS 27 2HG LYS 27 -7.921 -6.697 -21.511 199 1HD LYS 27 1HD LYS 27 -6.715 -8.834 -23.102 200 2HD LYS 27 2HD LYS 27 -6.978 -9.380 -21.458 201 1HE LYS 27 1HE LYS 27 -9.231 -9.484 -21.760 202 2HE LYS 27 2HE LYS 27 -9.290 -7.850 -22.390 203 1HZ LYS 27 1HZ LYS 27 -8.501 -8.768 -24.514 204 2HZ LYS 27 2HZ LYS 27 -8.633 -10.277 -23.905 205 3HZ LYS 27 3HZ LYS 27 -9.963 -9.345 -24.072 206 H ILE 28 H ILE 28 -4.396 -3.712 -21.824 207 HA ILE 28 HA ILE 28 -5.238 -3.616 -19.088 208 HB ILE 28 HB ILE 28 -2.836 -2.695 -20.632 209 1HG1 ILE 28 1HG1 ILE 28 -3.089 -4.589 -18.282 210 2HG1 ILE 28 2HG1 ILE 28 -3.153 -5.102 -19.956 211 1HG2 ILE 28 1HG2 ILE 28 -3.568 -1.986 -17.788 212 2HG2 ILE 28 2HG2 ILE 28 -1.891 -1.995 -18.386 213 3HG2 ILE 28 3HG2 ILE 28 -3.091 -0.902 -19.116 214 1HD1 ILE 28 1HD1 ILE 28 -0.831 -4.674 -18.379 215 2HD1 ILE 28 2HD1 ILE 28 -0.896 -5.042 -20.120 216 3HD1 ILE 28 3HD1 ILE 28 -0.861 -3.350 -19.568 217 H GLU 29 H GLU 29 -5.301 -1.508 -21.947 218 HA GLU 29 HA GLU 29 -5.775 0.846 -20.488 219 1HB GLU 29 1HB GLU 29 -5.466 0.052 -23.255 220 2HB GLU 29 2HB GLU 29 -6.888 1.067 -23.119 221 1HG GLU 29 1HG GLU 29 -4.983 2.353 -21.484 222 2HG GLU 29 2HG GLU 29 -4.048 1.793 -22.857 223 H GLU 30 H GLU 30 -7.895 -1.507 -22.248 224 HA GLU 30 HA GLU 30 -10.246 -0.112 -21.715 225 1HB GLU 30 1HB GLU 30 -11.364 -1.987 -22.647 226 2HB GLU 30 2HB GLU 30 -9.812 -1.958 -23.460 227 1HG GLU 30 1HG GLU 30 -8.971 -3.609 -21.674 228 2HG GLU 30 2HG GLU 30 -10.632 -3.755 -21.135 229 H LEU 31 H LEU 31 -8.249 -2.313 -19.814 230 HA LEU 31 HA LEU 31 -10.251 -3.130 -18.003 231 1HB LEU 31 1HB LEU 31 -7.351 -3.361 -18.321 232 2HB LEU 31 2HB LEU 31 -7.855 -3.260 -16.646 233 HG LEU 31 HG LEU 31 -9.130 -5.217 -18.559 234 1HD1 LEU 31 1HD1 LEU 31 -7.020 -6.234 -16.752 235 2HD1 LEU 31 2HD1 LEU 31 -7.459 -6.721 -18.407 236 3HD1 LEU 31 3HD1 LEU 31 -6.458 -5.273 -18.141 237 1HD2 LEU 31 1HD2 LEU 31 -8.975 -4.965 -15.554 238 2HD2 LEU 31 2HD2 LEU 31 -10.415 -4.985 -16.599 239 3HD2 LEU 31 3HD2 LEU 31 -9.461 -6.470 -16.370 240 H ILE 32 H ILE 32 -7.774 -0.487 -17.960 241 HA ILE 32 HA ILE 32 -8.746 0.497 -15.461 242 HB ILE 32 HB ILE 32 -6.779 1.528 -17.498 243 1HG1 ILE 32 1HG1 ILE 32 -6.186 0.632 -14.685 244 2HG1 ILE 32 2HG1 ILE 32 -6.354 -0.544 -15.974 245 1HG2 ILE 32 1HG2 ILE 32 -6.220 3.333 -16.073 246 2HG2 ILE 32 2HG2 ILE 32 -7.990 3.370 -16.256 247 3HG2 ILE 32 3HG2 ILE 32 -7.264 2.725 -14.765 248 1HD1 ILE 32 1HD1 ILE 32 -4.699 1.166 -17.248 249 2HD1 ILE 32 2HD1 ILE 32 -4.242 1.552 -15.571 250 3HD1 ILE 32 3HD1 ILE 32 -4.087 -0.115 -16.174 251 H LYS 33 H LYS 33 -8.886 1.613 -18.912 252 HA LYS 33 HA LYS 33 -10.421 3.861 -18.451 253 1HB LYS 33 1HB LYS 33 -9.293 3.490 -20.547 254 2HB LYS 33 2HB LYS 33 -10.219 2.035 -20.860 255 1HG LYS 33 1HG LYS 33 -12.117 4.126 -20.348 256 2HG LYS 33 2HG LYS 33 -10.921 4.789 -21.445 257 1HD LYS 33 1HD LYS 33 -11.240 2.463 -22.718 258 2HD LYS 33 2HD LYS 33 -12.765 2.426 -21.855 259 1HE LYS 33 1HE LYS 33 -12.477 5.079 -22.920 260 2HE LYS 33 2HE LYS 33 -12.057 3.968 -24.208 261 1HZ LYS 33 1HZ LYS 33 -14.346 3.130 -22.756 262 2HZ LYS 33 2HZ LYS 33 -14.555 4.601 -23.433 263 3HZ LYS 33 3HZ LYS 33 -14.152 3.323 -24.366 264 H GLY 34 H GLY 34 -11.314 0.413 -18.650 265 1HA GLY 34 1HA GLY 34 -14.123 0.858 -18.856 266 2HA GLY 34 2HA GLY 34 -13.303 -0.635 -18.442 267 H TYR 35 H TYR 35 -11.869 0.002 -16.133 268 HA TYR 35 HA TYR 35 -13.666 -0.329 -14.130 269 1HB TYR 35 1HB TYR 35 -10.953 -0.180 -14.429 270 2HB TYR 35 2HB TYR 35 -11.199 1.423 -13.764 271 HD1 TYR 35 HD1 TYR 35 -12.660 1.496 -11.536 272 HD2 TYR 35 HD2 TYR 35 -10.564 -1.948 -12.967 273 HE1 TYR 35 HE1 TYR 35 -12.654 0.517 -9.190 274 HE2 TYR 35 HE2 TYR 35 -10.564 -2.916 -10.616 275 HH TYR 35 HH TYR 35 -12.045 -1.119 -7.928 276 H ALA 36 H ALA 36 -12.526 2.759 -15.573 277 HA ALA 36 HA ALA 36 -13.570 4.452 -13.616 278 1HB ALA 36 1HB ALA 36 -12.160 5.592 -15.011 279 2HB ALA 36 2HB ALA 36 -12.624 4.634 -16.438 280 3HB ALA 36 3HB ALA 36 -13.675 5.954 -15.872 281 H ASN 37 H ASN 37 -15.014 2.878 -16.505 282 HA ASN 37 HA ASN 37 -17.403 4.342 -16.337 283 1HB ASN 37 1HB ASN 37 -16.485 3.059 -18.375 284 2HB ASN 37 2HB ASN 37 -16.988 1.578 -17.584 285 1HD2 ASN 37 1HD2 ASN 37 -18.453 1.061 -19.167 286 2HD2 ASN 37 2HD2 ASN 37 -19.965 1.877 -19.386 287 H LEU 38 H LEU 38 -16.161 1.202 -15.092 288 HA LEU 38 HA LEU 38 -18.639 0.222 -14.182 289 1HB LEU 38 1HB LEU 38 -16.097 -0.752 -14.492 290 2HB LEU 38 2HB LEU 38 -16.225 -0.637 -12.748 291 HG LEU 38 HG LEU 38 -18.618 -1.838 -13.444 292 1HD1 LEU 38 1HD1 LEU 38 -18.044 -3.695 -14.941 293 2HD1 LEU 38 2HD1 LEU 38 -17.915 -2.119 -15.759 294 3HD1 LEU 38 3HD1 LEU 38 -16.444 -2.968 -15.228 295 1HD2 LEU 38 1HD2 LEU 38 -17.139 -3.985 -12.789 296 2HD2 LEU 38 2HD2 LEU 38 -16.032 -2.693 -12.266 297 3HD2 LEU 38 3HD2 LEU 38 -17.683 -2.769 -11.608 298 H VAL 39 H VAL 39 -15.995 2.144 -12.650 299 HA VAL 39 HA VAL 39 -17.129 2.153 -10.090 300 HB VAL 39 HB VAL 39 -14.776 2.866 -11.139 301 1HG1 VAL 39 1HG1 VAL 39 -15.759 5.593 -10.401 302 2HG1 VAL 39 2HG1 VAL 39 -14.432 5.106 -11.483 303 3HG1 VAL 39 3HG1 VAL 39 -16.120 4.982 -12.033 304 1HG2 VAL 39 1HG2 VAL 39 -14.286 2.881 -8.964 305 2HG2 VAL 39 2HG2 VAL 39 -15.092 4.455 -8.763 306 3HG2 VAL 39 3HG2 VAL 39 -16.026 2.949 -8.592 307 H ASN 40 H ASN 40 -17.869 3.886 -13.067 308 HA ASN 40 HA ASN 40 -19.357 5.881 -11.636 309 1HB ASN 40 1HB ASN 40 -18.214 6.645 -13.642 310 2HB ASN 40 2HB ASN 40 -18.846 5.316 -14.594 311 1HD2 ASN 40 1HD2 ASN 40 -21.013 5.282 -15.220 312 2HD2 ASN 40 2HD2 ASN 40 -21.997 6.707 -15.261 313 H LEU 41 H LEU 41 -19.748 2.693 -12.933 314 HA LEU 41 HA LEU 41 -22.520 2.970 -13.635 315 1HB LEU 41 1HB LEU 41 -20.416 1.146 -14.132 316 2HB LEU 41 2HB LEU 41 -21.661 0.254 -13.279 317 HG LEU 41 HG LEU 41 -22.441 1.971 -15.613 318 1HD1 LEU 41 1HD1 LEU 41 -21.889 0.340 -17.224 319 2HD1 LEU 41 2HD1 LEU 41 -20.423 0.557 -16.238 320 3HD1 LEU 41 3HD1 LEU 41 -21.464 -0.863 -15.983 321 1HD2 LEU 41 1HD2 LEU 41 -24.267 1.049 -14.413 322 2HD2 LEU 41 2HD2 LEU 41 -24.095 0.084 -15.899 323 3HD2 LEU 41 3HD2 LEU 41 -23.507 -0.560 -14.347 324 H ILE 42 H ILE 42 -20.612 1.341 -11.011 325 HA ILE 42 HA ILE 42 -22.866 0.508 -9.582 326 HB ILE 42 HB ILE 42 -20.085 1.101 -8.567 327 1HG1 ILE 42 1HG1 ILE 42 -20.893 -1.665 -9.288 328 2HG1 ILE 42 2HG1 ILE 42 -20.625 -0.570 -10.630 329 1HG2 ILE 42 1HG2 ILE 42 -20.757 -0.836 -6.993 330 2HG2 ILE 42 2HG2 ILE 42 -21.390 0.795 -6.668 331 3HG2 ILE 42 3HG2 ILE 42 -22.427 -0.422 -7.449 332 1HD1 ILE 42 1HD1 ILE 42 -18.363 -0.187 -10.050 333 2HD1 ILE 42 2HD1 ILE 42 -18.610 -0.716 -8.368 334 3HD1 ILE 42 3HD1 ILE 42 -18.587 -1.914 -9.684 335 H GLU 43 H GLU 43 -24.456 1.885 -8.958 336 HA GLU 43 HA GLU 43 -24.373 4.511 -8.693 337 1HB GLU 43 1HB GLU 43 -26.085 2.390 -7.778 338 2HB GLU 43 2HB GLU 43 -25.944 3.549 -6.471 339 1HG GLU 43 1HG GLU 43 -26.397 5.375 -8.281 340 2HG GLU 43 2HG GLU 43 -26.900 4.054 -9.315 341 HA PRO 44 HA PRO 44 -22.788 4.236 -4.235 342 1HB PRO 44 1HB PRO 44 -22.032 1.832 -3.180 343 2HB PRO 44 2HB PRO 44 -23.621 2.528 -2.936 344 1HG PRO 44 1HG PRO 44 -22.828 0.292 -4.700 345 2HG PRO 44 2HG PRO 44 -24.426 0.720 -4.122 346 1HD PRO 44 1HD PRO 44 -23.361 1.203 -6.742 347 2HD PRO 44 2HD PRO 44 -24.914 1.733 -6.128 348 H MET 45 H MET 45 -20.895 5.244 -4.032 349 HA MET 45 HA MET 45 -18.534 3.813 -4.356 350 1HB MET 45 1HB MET 45 -19.638 4.480 -6.820 351 2HB MET 45 2HB MET 45 -18.632 5.884 -6.523 352 1HG MET 45 1HG MET 45 -17.120 4.446 -7.609 353 2HG MET 45 2HG MET 45 -16.756 4.124 -5.926 354 1HE MET 45 1HE MET 45 -15.945 1.166 -7.446 355 2HE MET 45 2HE MET 45 -15.733 2.289 -6.081 356 3HE MET 45 3HE MET 45 -16.559 0.732 -5.832 357 H LYS 46 H LYS 46 -16.567 5.300 -4.196 358 HA LYS 46 HA LYS 46 -17.368 7.851 -2.977 359 1HB LYS 46 1HB LYS 46 -15.320 5.825 -2.058 360 2HB LYS 46 2HB LYS 46 -15.297 7.491 -1.517 361 1HG LYS 46 1HG LYS 46 -17.728 5.658 -1.267 362 2HG LYS 46 2HG LYS 46 -16.562 5.910 0.017 363 1HD LYS 46 1HD LYS 46 -17.844 7.674 0.662 364 2HD LYS 46 2HD LYS 46 -17.201 8.524 -0.728 365 1HE LYS 46 1HE LYS 46 -19.154 8.312 -1.937 366 2HE LYS 46 2HE LYS 46 -19.468 6.691 -1.352 367 1HZ LYS 46 1HZ LYS 46 -21.042 7.827 -0.241 368 2HZ LYS 46 2HZ LYS 46 -19.848 8.007 0.859 369 3HZ LYS 46 3HZ LYS 46 -20.200 9.225 -0.171 370 H ALA 47 H ALA 47 -14.336 6.183 -4.096 371 HA ALA 47 HA ALA 47 -13.990 7.926 -6.279 372 1HB ALA 47 1HB ALA 47 -12.590 9.559 -5.493 373 2HB ALA 47 2HB ALA 47 -13.483 9.263 -3.982 374 3HB ALA 47 3HB ALA 47 -11.892 8.507 -4.238 375 H PHE 48 H PHE 48 -12.333 7.152 -7.632 376 HA PHE 48 HA PHE 48 -11.172 4.644 -6.698 377 1HB PHE 48 1HB PHE 48 -12.581 4.955 -8.864 378 2HB PHE 48 2HB PHE 48 -11.277 5.951 -9.480 379 HD1 PHE 48 HD1 PHE 48 -11.159 2.739 -7.586 380 HD2 PHE 48 HD2 PHE 48 -10.316 4.763 -11.219 381 HE1 PHE 48 HE1 PHE 48 -10.006 0.688 -8.462 382 HE2 PHE 48 HE2 PHE 48 -9.163 2.713 -12.094 383 HZ PHE 48 HZ PHE 48 -9.022 0.700 -10.705 384 H HIS 49 H HIS 49 -9.041 4.505 -6.176 385 HA HIS 49 HA HIS 49 -7.364 6.755 -6.999 386 1HB HIS 49 1HB HIS 49 -7.781 5.475 -4.496 387 2HB HIS 49 2HB HIS 49 -6.147 5.087 -4.996 388 HD1 HIS 49 HD1 HIS 49 -7.619 7.378 -2.890 389 HD2 HIS 49 HD2 HIS 49 -5.065 7.875 -6.180 390 HE1 HIS 49 HE1 HIS 49 -6.523 9.665 -2.606 391 HE2 HIS 49 HE2 HIS 49 -4.925 9.890 -4.628 392 H TRP 50 H TRP 50 -5.644 6.428 -8.355 393 HA TRP 50 HA TRP 50 -4.727 3.682 -8.731 394 1HB TRP 50 1HB TRP 50 -5.213 3.514 -10.921 395 2HB TRP 50 2HB TRP 50 -6.554 4.538 -10.446 396 HD1 TRP 50 HD1 TRP 50 -6.318 7.223 -11.141 397 HE1 TRP 50 HE1 TRP 50 -5.060 8.467 -13.099 398 HE3 TRP 50 HE3 TRP 50 -3.183 3.382 -12.272 399 HZ2 TRP 50 HZ2 TRP 50 -2.942 7.722 -14.861 400 HZ3 TRP 50 HZ3 TRP 50 -1.551 3.723 -14.125 401 HH2 TRP 50 HH2 TRP 50 -1.400 5.802 -15.402 402 H GLY 51 H GLY 51 -2.502 3.602 -9.423 403 1HA GLY 51 1HA GLY 51 -1.075 6.010 -10.049 404 2HA GLY 51 2HA GLY 51 -0.793 5.474 -8.405 405 H LYS 52 H LYS 52 1.155 5.558 -10.613 406 HA LYS 52 HA LYS 52 1.689 2.677 -10.837 407 1HB LYS 52 1HB LYS 52 2.774 3.100 -12.955 408 2HB LYS 52 2HB LYS 52 1.129 3.700 -13.005 409 1HG LYS 52 1HG LYS 52 1.806 5.970 -12.889 410 2HG LYS 52 2HG LYS 52 3.364 5.576 -12.190 411 1HD LYS 52 1HD LYS 52 2.495 4.984 -15.059 412 2HD LYS 52 2HD LYS 52 3.602 6.250 -14.567 413 1HE LYS 52 1HE LYS 52 4.670 3.910 -13.395 414 2HE LYS 52 2HE LYS 52 4.120 3.384 -14.974 415 1HZ LYS 52 1HZ LYS 52 6.074 5.453 -14.339 416 2HZ LYS 52 2HZ LYS 52 6.213 4.190 -15.366 417 3HZ LYS 52 3HZ LYS 52 5.299 5.480 -15.777 418 H ASP 53 H ASP 53 3.944 2.028 -10.655 419 HA ASP 53 HA ASP 53 5.273 3.713 -8.757 420 1HB ASP 53 1HB ASP 53 6.646 1.808 -8.294 421 2HB ASP 53 2HB ASP 53 5.038 1.167 -8.571 422 H VAL 54 H VAL 54 7.987 3.217 -9.206 423 HA VAL 54 HA VAL 54 8.398 4.364 -11.879 424 HB VAL 54 HB VAL 54 10.531 5.233 -10.793 425 1HG1 VAL 54 1HG1 VAL 54 9.506 7.236 -10.390 426 2HG1 VAL 54 2HG1 VAL 54 8.158 6.397 -11.195 427 3HG1 VAL 54 3HG1 VAL 54 8.206 6.506 -9.419 428 1HG2 VAL 54 1HG2 VAL 54 9.031 4.827 -8.198 429 2HG2 VAL 54 2HG2 VAL 54 10.255 3.673 -8.779 430 3HG2 VAL 54 3HG2 VAL 54 10.711 5.361 -8.442 431 H SER 55 H SER 55 10.779 3.896 -12.662 432 HA SER 55 HA SER 55 10.939 1.240 -13.186 433 1HB SER 55 1HB SER 55 13.375 1.756 -13.791 434 2HB SER 55 2HB SER 55 12.161 2.755 -14.565 435 HG SER 55 HG SER 55 14.240 3.591 -13.122 436 H ILE 56 H ILE 56 10.985 -0.327 -11.586 437 HA ILE 56 HA ILE 56 12.994 0.038 -9.475 438 HB ILE 56 HB ILE 56 10.625 0.034 -8.750 439 1HG1 ILE 56 1HG1 ILE 56 10.972 -1.849 -7.023 440 2HG1 ILE 56 2HG1 ILE 56 12.516 -2.122 -7.806 441 1HG2 ILE 56 1HG2 ILE 56 10.187 -2.818 -8.942 442 2HG2 ILE 56 2HG2 ILE 56 9.140 -1.466 -9.439 443 3HG2 ILE 56 3HG2 ILE 56 10.375 -2.094 -10.557 444 1HD1 ILE 56 1HD1 ILE 56 13.291 -0.513 -6.384 445 2HD1 ILE 56 2HD1 ILE 56 12.534 0.633 -7.515 446 3HD1 ILE 56 3HD1 ILE 56 11.656 0.110 -6.057 447 H GLU 57 H GLU 57 12.150 -1.643 -12.338 448 HA GLU 57 HA GLU 57 13.159 -3.247 -13.412 449 1HB GLU 57 1HB GLU 57 15.158 -2.482 -11.507 450 2HB GLU 57 2HB GLU 57 15.170 -4.232 -11.578 451 1HG GLU 57 1HG GLU 57 15.456 -4.197 -14.014 452 2HG GLU 57 2HG GLU 57 15.234 -2.459 -14.062 453 H ASN 58 H ASN 58 14.249 -5.759 -12.594 454 HA ASN 58 HA ASN 58 11.869 -7.065 -11.934 455 1HB ASN 58 1HB ASN 58 14.634 -7.771 -12.678 456 2HB ASN 58 2HB ASN 58 14.004 -8.877 -11.473 457 1HD2 ASN 58 1HD2 ASN 58 13.979 -10.553 -12.967 458 2HD2 ASN 58 2HD2 ASN 58 12.770 -10.700 -14.199 459 H LEU 59 H LEU 59 11.322 -6.061 -9.811 460 HA LEU 59 HA LEU 59 12.339 -7.560 -7.630 461 1HB LEU 59 1HB LEU 59 13.576 -4.997 -8.228 462 2HB LEU 59 2HB LEU 59 12.843 -5.012 -6.636 463 HG LEU 59 HG LEU 59 14.758 -7.159 -7.571 464 1HD1 LEU 59 1HD1 LEU 59 16.538 -5.987 -6.395 465 2HD1 LEU 59 2HD1 LEU 59 15.875 -4.977 -7.703 466 3HD1 LEU 59 3HD1 LEU 59 15.429 -4.649 -6.011 467 1HD2 LEU 59 1HD2 LEU 59 13.114 -7.430 -5.562 468 2HD2 LEU 59 2HD2 LEU 59 14.818 -7.915 -5.392 469 3HD2 LEU 59 3HD2 LEU 59 14.264 -6.363 -4.720 470 H HIS 60 H HIS 60 9.827 -7.458 -8.732 471 HA HIS 60 HA HIS 60 8.385 -6.190 -6.565 472 1HB HIS 60 1HB HIS 60 6.893 -4.966 -7.906 473 2HB HIS 60 2HB HIS 60 8.493 -4.567 -8.500 474 HD1 HIS 60 HD1 HIS 60 5.226 -5.839 -9.590 475 HD2 HIS 60 HD2 HIS 60 9.172 -5.974 -11.007 476 HE1 HIS 60 HE1 HIS 60 5.081 -6.510 -12.047 477 HE2 HIS 60 HE2 HIS 60 7.532 -6.523 -12.877 478 H GLN 61 H GLN 61 6.491 -7.316 -5.990 479 HA GLN 61 HA GLN 61 6.303 -9.895 -7.294 480 1HB GLN 61 1HB GLN 61 5.717 -8.833 -4.564 481 2HB GLN 61 2HB GLN 61 4.633 -10.086 -5.136 482 1HG GLN 61 1HG GLN 61 6.621 -11.000 -3.896 483 2HG GLN 61 2HG GLN 61 6.490 -11.622 -5.529 484 1HE2 GLN 61 1HE2 GLN 61 8.482 -10.211 -3.272 485 2HE2 GLN 61 2HE2 GLN 61 9.785 -9.678 -4.281 486 H GLY 62 H GLY 62 5.161 -7.122 -8.194 487 1HA GLY 62 1HA GLY 62 3.325 -7.177 -9.766 488 2HA GLY 62 2HA GLY 62 2.394 -8.086 -8.593 489 H TYR 63 H TYR 63 4.541 -5.403 -7.626 490 HA TYR 63 HA TYR 63 2.206 -4.003 -6.608 491 1HB TYR 63 1HB TYR 63 5.227 -4.082 -6.284 492 2HB TYR 63 2HB TYR 63 4.441 -2.568 -5.883 493 HD1 TYR 63 HD1 TYR 63 5.732 -5.360 -4.425 494 HD2 TYR 63 HD2 TYR 63 2.086 -3.121 -4.446 495 HE1 TYR 63 HE1 TYR 63 5.156 -6.262 -2.119 496 HE2 TYR 63 HE2 TYR 63 1.523 -4.030 -2.140 497 HH TYR 63 HH TYR 63 2.056 -5.476 -0.599 498 H THR 64 H THR 64 4.515 -3.883 -9.254 499 HA THR 64 HA THR 64 4.765 -1.258 -9.844 500 HB THR 64 HB THR 64 4.514 -2.232 -12.316 501 HG1 THR 64 HG1 THR 64 3.758 -4.306 -12.177 502 1HG2 THR 64 1HG2 THR 64 6.583 -2.504 -10.283 503 2HG2 THR 64 2HG2 THR 64 6.519 -3.987 -11.265 504 3HG2 THR 64 3HG2 THR 64 6.775 -2.410 -12.050 505 H HIS 65 H HIS 65 1.779 -3.120 -9.812 506 HA HIS 65 HA HIS 65 0.395 -0.651 -10.473 507 1HB HIS 65 1HB HIS 65 0.187 -3.245 -11.969 508 2HB HIS 65 2HB HIS 65 -1.241 -2.244 -11.794 509 HD1 HIS 65 HD1 HIS 65 1.959 -2.516 -13.663 510 HD2 HIS 65 HD2 HIS 65 -1.041 0.354 -13.061 511 HE1 HIS 65 HE1 HIS 65 2.294 -0.742 -15.467 512 HE2 HIS 65 HE2 HIS 65 0.389 0.965 -15.080 513 H ILE 66 H ILE 66 -1.099 -0.225 -8.926 514 HA ILE 66 HA ILE 66 -2.365 -2.506 -7.615 515 HB ILE 66 HB ILE 66 -2.059 -1.431 -5.422 516 1HG1 ILE 66 1HG1 ILE 66 0.160 0.266 -6.479 517 2HG1 ILE 66 2HG1 ILE 66 -1.479 0.850 -6.689 518 1HG2 ILE 66 1HG2 ILE 66 -0.269 -2.716 -5.075 519 2HG2 ILE 66 2HG2 ILE 66 -0.313 -3.047 -6.824 520 3HG2 ILE 66 3HG2 ILE 66 0.743 -1.763 -6.187 521 1HD1 ILE 66 1HD1 ILE 66 0.102 0.486 -4.183 522 2HD1 ILE 66 2HD1 ILE 66 -1.148 1.692 -4.576 523 3HD1 ILE 66 3HD1 ILE 66 -1.621 0.049 -4.081 524 H PHE 67 H PHE 67 -4.530 -2.180 -7.134 525 HA PHE 67 HA PHE 67 -5.590 0.360 -8.119 526 1HB PHE 67 1HB PHE 67 -6.823 -2.396 -7.514 527 2HB PHE 67 2HB PHE 67 -7.726 -1.051 -8.182 528 HD1 PHE 67 HD1 PHE 67 -5.677 -3.870 -8.925 529 HD2 PHE 67 HD2 PHE 67 -6.974 -0.130 -10.454 530 HE1 PHE 67 HE1 PHE 67 -5.051 -4.600 -11.243 531 HE2 PHE 67 HE2 PHE 67 -6.348 -0.860 -12.772 532 HZ PHE 67 HZ PHE 67 -5.394 -3.087 -13.139 533 H GLU 68 H GLU 68 -5.894 1.852 -6.524 534 HA GLU 68 HA GLU 68 -6.675 0.839 -3.921 535 1HB GLU 68 1HB GLU 68 -5.251 3.274 -4.913 536 2HB GLU 68 2HB GLU 68 -6.279 3.508 -3.514 537 1HG GLU 68 1HG GLU 68 -4.863 2.364 -2.137 538 2HG GLU 68 2HG GLU 68 -4.663 1.055 -3.285 539 H SER 69 H SER 69 -8.845 0.729 -3.550 540 HA SER 69 HA SER 69 -10.449 2.849 -4.753 541 1HB SER 69 1HB SER 69 -10.709 0.277 -5.434 542 2HB SER 69 2HB SER 69 -11.650 0.198 -3.957 543 HG SER 69 HG SER 69 -12.694 0.816 -6.179 544 H THR 70 H THR 70 -11.252 4.253 -3.239 545 HA THR 70 HA THR 70 -11.236 3.453 -0.455 546 HB THR 70 HB THR 70 -10.543 5.753 -1.695 547 HG1 THR 70 HG1 THR 70 -12.116 5.511 0.774 548 1HG2 THR 70 1HG2 THR 70 -13.175 5.939 -2.278 549 2HG2 THR 70 2HG2 THR 70 -13.249 6.525 -0.599 550 3HG2 THR 70 3HG2 THR 70 -12.236 7.371 -1.794 551 H PHE 71 H PHE 71 -12.961 3.029 0.841 552 HA PHE 71 HA PHE 71 -15.585 3.232 -0.456 553 1HB PHE 71 1HB PHE 71 -14.199 1.028 1.153 554 2HB PHE 71 2HB PHE 71 -15.950 1.099 1.117 555 HD1 PHE 71 HD1 PHE 71 -13.519 -0.758 -0.137 556 HD2 PHE 71 HD2 PHE 71 -16.592 1.766 -1.619 557 HE1 PHE 71 HE1 PHE 71 -13.527 -2.036 -2.298 558 HE2 PHE 71 HE2 PHE 71 -16.599 0.489 -3.780 559 HZ PHE 71 HZ PHE 71 -15.067 -1.397 -4.093 560 H GLU 72 H GLU 72 -17.404 3.562 1.002 561 HA GLU 72 HA GLU 72 -16.962 5.442 2.899 562 1HB GLU 72 1HB GLU 72 -19.169 4.374 1.746 563 2HB GLU 72 2HB GLU 72 -19.300 3.605 3.315 564 1HG GLU 72 1HG GLU 72 -19.548 5.651 4.458 565 2HG GLU 72 2HG GLU 72 -18.723 6.570 3.215 566 H SER 73 H SER 73 -17.649 1.913 3.474 567 HA SER 73 HA SER 73 -15.882 2.006 5.719 568 1HB SER 73 1HB SER 73 -18.873 1.721 6.012 569 2HB SER 73 2HB SER 73 -17.836 0.811 7.092 570 HG SER 73 HG SER 73 -16.838 3.312 7.027 571 H LYS 74 H LYS 74 -16.200 -0.421 6.866 572 HA LYS 74 HA LYS 74 -15.391 -2.198 4.850 573 1HB LYS 74 1HB LYS 74 -14.541 -2.378 7.101 574 2HB LYS 74 2HB LYS 74 -16.150 -2.613 7.753 575 1HG LYS 74 1HG LYS 74 -16.314 -4.807 6.964 576 2HG LYS 74 2HG LYS 74 -15.260 -4.513 5.596 577 1HD LYS 74 1HD LYS 74 -14.089 -5.939 7.205 578 2HD LYS 74 2HD LYS 74 -13.293 -4.379 7.146 579 1HE LYS 74 1HE LYS 74 -14.687 -3.684 9.176 580 2HE LYS 74 2HE LYS 74 -15.261 -5.337 9.276 581 1HZ LYS 74 1HZ LYS 74 -13.185 -4.625 10.573 582 2HZ LYS 74 2HZ LYS 74 -13.196 -6.086 9.843 583 3HZ LYS 74 3HZ LYS 74 -12.395 -4.837 9.159 584 H GLU 75 H GLU 75 -18.519 -1.485 6.410 585 HA GLU 75 HA GLU 75 -19.859 -3.760 5.687 586 1HB GLU 75 1HB GLU 75 -20.831 -0.887 5.970 587 2HB GLU 75 2HB GLU 75 -21.919 -2.246 5.763 588 1HG GLU 75 1HG GLU 75 -20.696 -3.315 7.802 589 2HG GLU 75 2HG GLU 75 -20.007 -1.726 8.075 590 H ALA 76 H ALA 76 -19.140 -0.775 3.814 591 HA ALA 76 HA ALA 76 -20.792 -1.373 1.629 592 1HB ALA 76 1HB ALA 76 -19.393 0.781 2.430 593 2HB ALA 76 2HB ALA 76 -18.236 0.133 1.243 594 3HB ALA 76 3HB ALA 76 -19.892 0.544 0.738 595 H VAL 77 H VAL 77 -17.481 -2.346 2.572 596 HA VAL 77 HA VAL 77 -16.649 -3.333 0.114 597 HB VAL 77 HB VAL 77 -15.648 -3.096 2.665 598 1HG1 VAL 77 1HG1 VAL 77 -15.527 -6.051 2.021 599 2HG1 VAL 77 2HG1 VAL 77 -15.000 -5.214 3.501 600 3HG1 VAL 77 3HG1 VAL 77 -16.735 -5.361 3.131 601 1HG2 VAL 77 1HG2 VAL 77 -13.583 -4.222 1.623 602 2HG2 VAL 77 2HG2 VAL 77 -14.579 -4.403 0.159 603 3HG2 VAL 77 3HG2 VAL 77 -14.238 -2.781 0.809 604 H ALA 78 H ALA 78 -18.815 -4.666 2.618 605 HA ALA 78 HA ALA 78 -18.820 -7.295 1.532 606 1HB ALA 78 1HB ALA 78 -19.382 -6.489 3.925 607 2HB ALA 78 2HB ALA 78 -20.973 -6.046 3.261 608 3HB ALA 78 3HB ALA 78 -20.428 -7.740 3.211 609 H GLU 79 H GLU 79 -20.630 -4.268 1.001 610 HA GLU 79 HA GLU 79 -22.690 -5.537 -0.454 611 1HB GLU 79 1HB GLU 79 -21.886 -2.748 0.233 612 2HB GLU 79 2HB GLU 79 -22.800 -2.913 -1.253 613 1HG GLU 79 1HG GLU 79 -24.676 -3.887 -0.140 614 2HG GLU 79 2HG GLU 79 -23.738 -4.300 1.281 615 H TYR 80 H TYR 80 -19.614 -3.846 -1.258 616 HA TYR 80 HA TYR 80 -20.063 -3.955 -4.070 617 1HB TYR 80 1HB TYR 80 -17.596 -3.627 -2.250 618 2HB TYR 80 2HB TYR 80 -17.566 -3.314 -3.974 619 HD1 TYR 80 HD1 TYR 80 -19.933 -1.772 -4.537 620 HD2 TYR 80 HD2 TYR 80 -17.411 -1.632 -1.083 621 HE1 TYR 80 HE1 TYR 80 -20.643 0.631 -4.107 622 HE2 TYR 80 HE2 TYR 80 -18.130 0.770 -0.665 623 HH TYR 80 HH TYR 80 -19.535 2.348 -1.218 624 H ILE 81 H ILE 81 -18.431 -6.013 -1.628 625 HA ILE 81 HA ILE 81 -17.137 -7.637 -3.564 626 HB ILE 81 HB ILE 81 -17.686 -7.911 -0.616 627 1HG1 ILE 81 1HG1 ILE 81 -15.995 -6.223 -1.691 628 2HG1 ILE 81 2HG1 ILE 81 -15.553 -7.143 -0.267 629 1HG2 ILE 81 1HG2 ILE 81 -16.132 -9.809 -2.397 630 2HG2 ILE 81 2HG2 ILE 81 -16.175 -9.850 -0.618 631 3HG2 ILE 81 3HG2 ILE 81 -17.659 -10.156 -1.551 632 1HD1 ILE 81 1HD1 ILE 81 -14.951 -8.165 -3.069 633 2HD1 ILE 81 2HD1 ILE 81 -13.836 -7.089 -2.194 634 3HD1 ILE 81 3HD1 ILE 81 -14.232 -8.692 -1.529 635 H ALA 82 H ALA 82 -20.281 -7.670 -1.854 636 HA ALA 82 HA ALA 82 -20.948 -10.295 -2.740 637 1HB ALA 82 1HB ALA 82 -21.965 -9.536 -0.731 638 2HB ALA 82 2HB ALA 82 -22.452 -7.990 -1.466 639 3HB ALA 82 3HB ALA 82 -23.264 -9.499 -1.947 640 H HIS 83 H HIS 83 -20.959 -7.081 -4.124 641 HA HIS 83 HA HIS 83 -23.081 -7.333 -5.888 642 1HB HIS 83 1HB HIS 83 -21.412 -5.354 -5.237 643 2HB HIS 83 2HB HIS 83 -20.614 -5.862 -6.712 644 HD1 HIS 83 HD1 HIS 83 -21.678 -5.189 -8.931 645 HD2 HIS 83 HD2 HIS 83 -24.138 -4.417 -5.622 646 HE1 HIS 83 HE1 HIS 83 -23.633 -3.801 -9.803 647 HE2 HIS 83 HE2 HIS 83 -25.139 -3.405 -7.736 648 HA PRO 84 HA PRO 84 -21.547 -10.301 -8.656 649 1HB PRO 84 1HB PRO 84 -23.435 -10.078 -10.620 650 2HB PRO 84 2HB PRO 84 -23.675 -11.022 -9.162 651 1HG PRO 84 1HG PRO 84 -24.808 -8.385 -9.870 652 2HG PRO 84 2HG PRO 84 -25.348 -9.520 -8.649 653 1HD PRO 84 1HD PRO 84 -23.867 -7.103 -8.210 654 2HD PRO 84 2HD PRO 84 -24.307 -8.296 -7.004 655 H ALA 85 H ALA 85 -22.426 -7.165 -9.977 656 HA ALA 85 HA ALA 85 -20.995 -7.382 -12.333 657 1HB ALA 85 1HB ALA 85 -21.485 -5.140 -12.567 658 2HB ALA 85 2HB ALA 85 -22.640 -5.554 -11.278 659 3HB ALA 85 3HB ALA 85 -21.097 -4.766 -10.870 660 H HIS 86 H HIS 86 -19.961 -6.464 -9.009 661 HA HIS 86 HA HIS 86 -17.346 -5.757 -9.838 662 1HB HIS 86 1HB HIS 86 -18.377 -4.809 -7.844 663 2HB HIS 86 2HB HIS 86 -18.502 -6.396 -7.111 664 HD1 HIS 86 HD1 HIS 86 -15.821 -7.621 -7.230 665 HD2 HIS 86 HD2 HIS 86 -16.296 -3.487 -6.703 666 HE1 HIS 86 HE1 HIS 86 -13.656 -6.783 -6.171 667 HE2 HIS 86 HE2 HIS 86 -13.986 -4.228 -5.922 668 H VAL 87 H VAL 87 -18.928 -8.707 -8.514 669 HA VAL 87 HA VAL 87 -16.573 -10.165 -8.131 670 HB VAL 87 HB VAL 87 -19.486 -10.722 -8.378 671 1HG1 VAL 87 1HG1 VAL 87 -18.864 -13.217 -8.010 672 2HG1 VAL 87 2HG1 VAL 87 -18.846 -12.562 -9.665 673 3HG1 VAL 87 3HG1 VAL 87 -17.318 -12.780 -8.777 674 1HG2 VAL 87 1HG2 VAL 87 -17.325 -11.252 -6.322 675 2HG2 VAL 87 2HG2 VAL 87 -18.709 -10.139 -6.207 676 3HG2 VAL 87 3HG2 VAL 87 -18.977 -11.898 -6.184 677 H GLU 88 H GLU 88 -18.844 -9.897 -10.937 678 HA GLU 88 HA GLU 88 -17.654 -11.775 -12.518 679 1HB GLU 88 1HB GLU 88 -19.802 -10.234 -12.818 680 2HB GLU 88 2HB GLU 88 -18.706 -9.216 -13.731 681 1HG GLU 88 1HG GLU 88 -19.181 -10.567 -15.503 682 2HG GLU 88 2HG GLU 88 -18.107 -11.729 -14.749 683 H PHE 89 H PHE 89 -16.870 -8.266 -12.134 684 HA PHE 89 HA PHE 89 -14.873 -8.246 -14.110 685 1HB PHE 89 1HB PHE 89 -16.250 -6.439 -12.528 686 2HB PHE 89 2HB PHE 89 -14.732 -6.488 -11.654 687 HD1 PHE 89 HD1 PHE 89 -13.596 -4.529 -12.105 688 HD2 PHE 89 HD2 PHE 89 -15.462 -6.585 -15.315 689 HE1 PHE 89 HE1 PHE 89 -12.608 -2.890 -13.729 690 HE2 PHE 89 HE2 PHE 89 -14.474 -4.946 -16.939 691 HZ PHE 89 HZ PHE 89 -13.059 -3.118 -16.127 692 H ALA 90 H ALA 90 -14.861 -8.882 -10.567 693 HA ALA 90 HA ALA 90 -12.072 -8.857 -10.273 694 1HB ALA 90 1HB ALA 90 -13.768 -10.642 -8.575 695 2HB ALA 90 2HB ALA 90 -12.542 -9.442 -8.101 696 3HB ALA 90 3HB ALA 90 -14.169 -8.908 -8.587 697 H THR 91 H THR 91 -14.436 -11.344 -11.299 698 HA THR 91 HA THR 91 -12.662 -13.531 -11.132 699 HB THR 91 HB THR 91 -15.210 -12.970 -12.735 700 HG1 THR 91 HG1 THR 91 -14.522 -14.568 -10.370 701 1HG2 THR 91 1HG2 THR 91 -15.385 -15.502 -12.765 702 2HG2 THR 91 2HG2 THR 91 -14.069 -14.885 -13.792 703 3HG2 THR 91 3HG2 THR 91 -13.701 -15.582 -12.196 704 H ILE 92 H ILE 92 -13.325 -11.098 -13.675 705 HA ILE 92 HA ILE 92 -11.717 -12.484 -15.588 706 HB ILE 92 HB ILE 92 -13.072 -9.805 -15.471 707 1HG1 ILE 92 1HG1 ILE 92 -13.514 -11.897 -17.568 708 2HG1 ILE 92 2HG1 ILE 92 -14.161 -12.177 -15.964 709 1HG2 ILE 92 1HG2 ILE 92 -11.338 -10.827 -17.738 710 2HG2 ILE 92 2HG2 ILE 92 -12.328 -9.348 -17.742 711 3HG2 ILE 92 3HG2 ILE 92 -10.935 -9.483 -16.642 712 1HD1 ILE 92 1HD1 ILE 92 -14.613 -9.465 -17.196 713 2HD1 ILE 92 2HD1 ILE 92 -15.562 -10.840 -17.810 714 3HD1 ILE 92 3HD1 ILE 92 -15.654 -10.394 -16.090 715 H PHE 93 H PHE 93 -11.285 -9.879 -13.173 716 HA PHE 93 HA PHE 93 -8.890 -8.857 -14.032 717 1HB PHE 93 1HB PHE 93 -10.613 -8.902 -11.715 718 2HB PHE 93 2HB PHE 93 -9.004 -9.262 -11.120 719 HD1 PHE 93 HD1 PHE 93 -10.490 -6.890 -13.606 720 HD2 PHE 93 HD2 PHE 93 -7.865 -7.440 -10.317 721 HE1 PHE 93 HE1 PHE 93 -9.927 -4.445 -13.647 722 HE2 PHE 93 HE2 PHE 93 -7.302 -4.995 -10.358 723 HZ PHE 93 HZ PHE 93 -8.339 -3.526 -12.022 724 H LEU 94 H LEU 94 -9.473 -11.664 -11.802 725 HA LEU 94 HA LEU 94 -6.746 -12.212 -11.432 726 1HB LEU 94 1HB LEU 94 -7.441 -13.972 -10.168 727 2HB LEU 94 2HB LEU 94 -8.841 -12.921 -10.093 728 HG LEU 94 HG LEU 94 -9.480 -14.462 -12.257 729 1HD1 LEU 94 1HD1 LEU 94 -7.955 -16.254 -10.346 730 2HD1 LEU 94 2HD1 LEU 94 -9.006 -16.806 -11.673 731 3HD1 LEU 94 3HD1 LEU 94 -7.525 -15.887 -12.034 732 1HD2 LEU 94 1HD2 LEU 94 -10.581 -13.892 -9.864 733 2HD2 LEU 94 2HD2 LEU 94 -11.243 -15.095 -10.996 734 3HD2 LEU 94 3HD2 LEU 94 -10.226 -15.621 -9.633 735 H GLY 95 H GLY 95 -9.041 -12.909 -14.019 736 1HA GLY 95 1HA GLY 95 -7.555 -15.072 -15.166 737 2HA GLY 95 2HA GLY 95 -8.881 -14.180 -15.886 738 H SER 96 H SER 96 -7.224 -11.590 -15.095 739 HA SER 96 HA SER 96 -5.615 -11.712 -17.517 740 1HB SER 96 1HB SER 96 -7.212 -9.563 -16.167 741 2HB SER 96 2HB SER 96 -5.744 -9.053 -16.977 742 HG SER 96 HG SER 96 -8.022 -9.348 -18.159 743 H LEU 97 H LEU 97 -5.675 -10.714 -14.054 744 HA LEU 97 HA LEU 97 -2.848 -10.059 -14.176 745 1HB LEU 97 1HB LEU 97 -4.763 -9.919 -11.845 746 2HB LEU 97 2HB LEU 97 -3.151 -9.237 -11.928 747 HG LEU 97 HG LEU 97 -4.825 -8.255 -14.100 748 1HD1 LEU 97 1HD1 LEU 97 -6.403 -8.757 -11.987 749 2HD1 LEU 97 2HD1 LEU 97 -5.783 -7.157 -11.513 750 3HD1 LEU 97 3HD1 LEU 97 -6.628 -7.360 -13.067 751 1HD2 LEU 97 1HD2 LEU 97 -2.989 -6.949 -13.771 752 2HD2 LEU 97 2HD2 LEU 97 -4.153 -6.061 -12.758 753 3HD2 LEU 97 3HD2 LEU 97 -2.993 -7.182 -12.006 754 H ASP 98 H ASP 98 -1.230 -11.393 -13.505 755 HA ASP 98 HA ASP 98 -1.577 -14.039 -13.303 756 1HB ASP 98 1HB ASP 98 0.640 -13.148 -13.535 757 2HB ASP 98 2HB ASP 98 0.497 -12.189 -12.076 758 H LYS 99 H LYS 99 -0.514 -12.142 -10.389 759 HA LYS 99 HA LYS 99 -2.249 -13.863 -8.770 760 1HB LYS 99 1HB LYS 99 -0.706 -13.219 -6.904 761 2HB LYS 99 2HB LYS 99 0.034 -14.170 -8.176 762 1HG LYS 99 1HG LYS 99 1.346 -12.409 -8.935 763 2HG LYS 99 2HG LYS 99 0.151 -11.194 -8.525 764 1HD LYS 99 1HD LYS 99 1.579 -10.727 -6.792 765 2HD LYS 99 2HD LYS 99 0.773 -12.073 -6.012 766 1HE LYS 99 1HE LYS 99 2.654 -13.455 -7.429 767 2HE LYS 99 2HE LYS 99 3.515 -11.943 -7.223 768 1HZ LYS 99 1HZ LYS 99 2.473 -13.710 -5.139 769 2HZ LYS 99 2HZ LYS 99 4.005 -13.189 -5.355 770 3HZ LYS 99 3HZ LYS 99 2.861 -12.158 -4.812 771 H VAL 100 H VAL 100 -3.522 -12.909 -7.066 772 HA VAL 100 HA VAL 100 -3.774 -10.006 -7.204 773 HB VAL 100 HB VAL 100 -6.252 -10.267 -7.266 774 1HG1 VAL 100 1HG1 VAL 100 -6.134 -11.148 -9.810 775 2HG1 VAL 100 2HG1 VAL 100 -5.576 -9.533 -9.311 776 3HG1 VAL 100 3HG1 VAL 100 -4.402 -10.854 -9.522 777 1HG2 VAL 100 1HG2 VAL 100 -7.109 -12.425 -8.274 778 2HG2 VAL 100 2HG2 VAL 100 -5.530 -13.146 -7.880 779 3HG2 VAL 100 3HG2 VAL 100 -6.575 -12.528 -6.579 780 H LEU 101 H LEU 101 -3.626 -9.222 -5.171 781 HA LEU 101 HA LEU 101 -4.695 -10.910 -3.024 782 1HB LEU 101 1HB LEU 101 -2.039 -9.483 -3.115 783 2HB LEU 101 2HB LEU 101 -2.780 -10.038 -1.627 784 HG LEU 101 HG LEU 101 -1.180 -11.667 -2.255 785 1HD1 LEU 101 1HD1 LEU 101 -3.746 -12.322 -1.747 786 2HD1 LEU 101 2HD1 LEU 101 -3.523 -13.139 -3.312 787 3HD1 LEU 101 3HD1 LEU 101 -2.440 -13.513 -1.950 788 1HD2 LEU 101 1HD2 LEU 101 -1.598 -10.838 -4.845 789 2HD2 LEU 101 2HD2 LEU 101 -0.589 -12.214 -4.339 790 3HD2 LEU 101 3HD2 LEU 101 -2.273 -12.485 -4.848 791 H VAL 102 H VAL 102 -6.089 -9.870 -1.675 792 HA VAL 102 HA VAL 102 -6.365 -6.989 -2.120 793 HB VAL 102 HB VAL 102 -8.610 -7.224 -1.426 794 1HG1 VAL 102 1HG1 VAL 102 -8.627 -9.768 -2.894 795 2HG1 VAL 102 2HG1 VAL 102 -9.331 -8.190 -3.322 796 3HG1 VAL 102 3HG1 VAL 102 -7.612 -8.517 -3.651 797 1HG2 VAL 102 1HG2 VAL 102 -8.430 -8.638 0.492 798 2HG2 VAL 102 2HG2 VAL 102 -9.523 -9.451 -0.654 799 3HG2 VAL 102 3HG2 VAL 102 -7.838 -10.002 -0.487 800 H ILE 103 H ILE 103 -5.561 -5.633 -0.609 801 HA ILE 103 HA ILE 103 -5.475 -6.626 2.148 802 HB ILE 103 HB ILE 103 -3.281 -5.071 0.775 803 1HG1 ILE 103 1HG1 ILE 103 -3.381 -7.353 -0.090 804 2HG1 ILE 103 2HG1 ILE 103 -1.953 -7.110 0.897 805 1HG2 ILE 103 1HG2 ILE 103 -3.951 -5.390 3.524 806 2HG2 ILE 103 2HG2 ILE 103 -2.466 -6.319 3.206 807 3HG2 ILE 103 3HG2 ILE 103 -2.535 -4.587 2.804 808 1HD1 ILE 103 1HD1 ILE 103 -4.023 -9.069 1.234 809 2HD1 ILE 103 2HD1 ILE 103 -2.570 -8.827 2.232 810 3HD1 ILE 103 3HD1 ILE 103 -4.081 -7.978 2.639 811 H ASP 104 H ASP 104 -5.899 -5.063 3.759 812 HA ASP 104 HA ASP 104 -7.018 -2.624 2.636 813 1HB ASP 104 1HB ASP 104 -7.841 -4.499 4.747 814 2HB ASP 104 2HB ASP 104 -7.802 -2.852 5.345 815 H TYR 105 H TYR 105 -6.162 -0.623 3.351 816 HA TYR 105 HA TYR 105 -4.245 -0.747 5.577 817 1HB TYR 105 1HB TYR 105 -3.317 -0.631 3.138 818 2HB TYR 105 2HB TYR 105 -4.127 0.916 2.986 819 HD1 TYR 105 HD1 TYR 105 -1.105 -0.701 3.886 820 HD2 TYR 105 HD2 TYR 105 -3.500 2.725 4.798 821 HE1 TYR 105 HE1 TYR 105 0.929 0.468 4.865 822 HE2 TYR 105 HE2 TYR 105 -1.458 3.883 5.774 823 HH TYR 105 HH TYR 105 1.694 2.690 5.290 824 H LYS 106 H LYS 106 -4.633 0.718 7.169 825 HA LYS 106 HA LYS 106 -6.288 3.032 6.444 826 1HB LYS 106 1HB LYS 106 -7.539 2.826 8.461 827 2HB LYS 106 2HB LYS 106 -7.582 1.269 7.657 828 1HG LYS 106 1HG LYS 106 -6.288 0.231 9.274 829 2HG LYS 106 2HG LYS 106 -5.320 1.660 9.576 830 1HD LYS 106 1HD LYS 106 -8.184 1.198 10.534 831 2HD LYS 106 2HD LYS 106 -6.744 1.153 11.533 832 1HE LYS 106 1HE LYS 106 -6.379 3.622 10.545 833 2HE LYS 106 2HE LYS 106 -8.109 3.539 10.278 834 1HZ LYS 106 1HZ LYS 106 -6.667 3.696 12.740 835 2HZ LYS 106 2HZ LYS 106 -8.188 4.178 12.391 836 3HZ LYS 106 3HZ LYS 106 -7.891 2.616 12.764 837 HA PRO 107 HA PRO 107 -3.180 5.331 8.361 838 1HB PRO 107 1HB PRO 107 -4.522 7.590 9.111 839 2HB PRO 107 2HB PRO 107 -3.976 7.300 7.471 840 1HG PRO 107 1HG PRO 107 -6.715 7.130 8.569 841 2HG PRO 107 2HG PRO 107 -6.209 7.264 6.897 842 1HD PRO 107 1HD PRO 107 -7.130 4.895 8.226 843 2HD PRO 107 2HD PRO 107 -6.515 5.006 6.589 844 H THR 108 H THR 108 -2.280 4.314 10.072 845 HA THR 108 HA THR 108 -3.464 5.109 12.627 846 HB THR 108 HB THR 108 -3.017 2.284 11.578 847 HG1 THR 108 HG1 THR 108 -5.213 2.240 12.212 848 1HG2 THR 108 1HG2 THR 108 -2.410 1.541 13.650 849 2HG2 THR 108 2HG2 THR 108 -2.334 3.222 14.230 850 3HG2 THR 108 3HG2 THR 108 -3.860 2.311 14.337 851 H SER 109 H SER 109 -1.605 6.655 12.266 852 HA SER 109 HA SER 109 0.969 5.431 12.532 853 1HB SER 109 1HB SER 109 0.028 8.324 12.409 854 2HB SER 109 2HB SER 109 1.709 7.895 12.653 855 HG SER 109 HG SER 109 0.389 6.627 10.481 856 H VAL 110 H VAL 110 2.430 5.851 14.369 857 HA VAL 110 HA VAL 110 0.922 6.051 16.850 858 HB VAL 110 HB VAL 110 3.698 5.107 16.134 859 1HG1 VAL 110 1HG1 VAL 110 3.702 6.306 18.323 860 2HG1 VAL 110 2HG1 VAL 110 2.463 5.169 18.907 861 3HG1 VAL 110 3HG1 VAL 110 4.079 4.572 18.460 862 1HG2 VAL 110 1HG2 VAL 110 1.842 3.578 15.594 863 2HG2 VAL 110 2HG2 VAL 110 2.877 2.930 16.889 864 3HG2 VAL 110 3HG2 VAL 110 1.297 3.647 17.287 865 H SER 111 H SER 111 1.324 7.619 18.444 866 HA SER 111 HA SER 111 2.296 10.056 17.410 867 1HB SER 111 1HB SER 111 2.038 10.366 20.188 868 2HB SER 111 2HB SER 111 0.822 10.737 18.982 869 HG SER 111 HG SER 111 0.250 9.182 20.804 870 H LEU 112 H LEU 112 4.334 10.963 17.609 871 HA LEU 112 HA LEU 112 6.210 9.519 19.349 872 1HB LEU 112 1HB LEU 112 7.962 10.221 17.779 873 2HB LEU 112 2HB LEU 112 6.777 9.139 17.073 874 HG LEU 112 HG LEU 112 5.937 11.837 16.581 875 1HD1 LEU 112 1HD1 LEU 112 8.107 12.096 14.960 876 2HD1 LEU 112 2HD1 LEU 112 7.906 12.913 16.528 877 3HD1 LEU 112 3HD1 LEU 112 8.850 11.408 16.424 878 1HD2 LEU 112 1HD2 LEU 112 6.658 9.402 15.013 879 2HD2 LEU 112 2HD2 LEU 112 5.145 10.339 15.055 880 3HD2 LEU 112 3HD2 LEU 112 6.551 10.957 14.155 881 1H GLY 1 1H GLY 1 24.986 23.321 0.346 882 1HA GLY 1 1HA GLY 1 24.481 25.233 -1.210 883 2HA GLY 1 2HA GLY 1 23.941 24.002 -2.334 884 H SER 2 H SER 2 22.416 26.226 -0.992 885 HA SER 2 HA SER 2 20.753 24.883 0.894 886 1HB SER 2 1HB SER 2 20.258 27.573 -0.445 887 2HB SER 2 2HB SER 2 19.579 27.005 1.067 888 HG SER 2 HG SER 2 21.317 27.703 2.094 889 H HIS 3 H HIS 3 20.631 25.942 -2.544 890 HA HIS 3 HA HIS 3 19.326 25.368 -4.212 891 1HB HIS 3 1HB HIS 3 19.466 23.051 -2.650 892 2HB HIS 3 2HB HIS 3 17.758 23.233 -2.998 893 HD1 HIS 3 HD1 HIS 3 18.153 20.988 -4.463 894 HD2 HIS 3 HD2 HIS 3 19.946 24.494 -5.909 895 HE1 HIS 3 HE1 HIS 3 18.754 20.532 -6.901 896 H MET 4 H MET 4 16.903 25.206 -4.903 897 HA MET 4 HA MET 4 15.471 26.998 -3.115 898 1HB MET 4 1HB MET 4 14.199 27.629 -5.163 899 2HB MET 4 2HB MET 4 15.920 27.773 -5.462 900 1HG MET 4 1HG MET 4 15.129 25.060 -6.086 901 2HG MET 4 2HG MET 4 14.001 26.148 -6.871 902 1HE MET 4 1HE MET 4 15.301 27.955 -9.286 903 2HE MET 4 2HE MET 4 14.766 28.344 -7.633 904 3HE MET 4 3HE MET 4 16.405 28.787 -8.165 905 H GLU 5 H GLU 5 12.895 26.755 -3.521 906 HA GLU 5 HA GLU 5 12.130 24.492 -2.271 907 1HB GLU 5 1HB GLU 5 10.876 26.769 -3.369 908 2HB GLU 5 2HB GLU 5 10.050 25.418 -4.120 909 1HG GLU 5 1HG GLU 5 9.150 24.667 -2.123 910 2HG GLU 5 2HG GLU 5 10.552 25.140 -1.183 911 H GLU 6 H GLU 6 12.051 22.357 -2.822 912 HA GLU 6 HA GLU 6 12.195 21.764 -5.660 913 1HB GLU 6 1HB GLU 6 13.429 20.656 -3.283 914 2HB GLU 6 2HB GLU 6 12.514 19.395 -4.086 915 1HG GLU 6 1HG GLU 6 13.657 19.953 -6.249 916 2HG GLU 6 2HG GLU 6 14.584 21.196 -5.432 917 H ALA 7 H ALA 7 10.399 21.036 -6.713 918 HA ALA 7 HA ALA 7 8.205 20.042 -5.035 919 1HB ALA 7 1HB ALA 7 7.333 21.864 -6.166 920 2HB ALA 7 2HB ALA 7 8.388 21.630 -7.580 921 3HB ALA 7 3HB ALA 7 6.978 20.571 -7.337 922 H LYS 8 H LYS 8 8.674 17.846 -4.855 923 HA LYS 8 HA LYS 8 8.479 16.384 -7.366 924 1HB LYS 8 1HB LYS 8 10.815 16.316 -5.482 925 2HB LYS 8 2HB LYS 8 10.335 14.840 -6.295 926 1HG LYS 8 1HG LYS 8 11.134 15.557 -8.308 927 2HG LYS 8 2HG LYS 8 10.374 17.127 -8.147 928 1HD LYS 8 1HD LYS 8 12.244 17.749 -6.498 929 2HD LYS 8 2HD LYS 8 13.039 16.253 -6.946 930 1HE LYS 8 1HE LYS 8 12.230 17.701 -9.350 931 2HE LYS 8 2HE LYS 8 13.166 18.755 -8.309 932 1HZ LYS 8 1HZ LYS 8 13.963 16.210 -9.489 933 2HZ LYS 8 2HZ LYS 8 14.742 17.645 -9.522 934 3HZ LYS 8 3HZ LYS 8 14.721 16.759 -8.150 935 H GLY 9 H GLY 9 6.665 17.073 -5.093 936 1HA GLY 9 1HA GLY 9 5.865 14.333 -4.485 937 2HA GLY 9 2HA GLY 9 6.243 15.364 -3.119 938 HA PRO 10 HA PRO 10 4.876 14.659 -2.026 939 1HB PRO 10 1HB PRO 10 2.596 13.520 -1.041 940 2HB PRO 10 2HB PRO 10 3.240 15.040 -0.452 941 1HG PRO 10 1HG PRO 10 0.909 14.571 -2.210 942 2HG PRO 10 2HG PRO 10 1.313 16.000 -1.279 943 1HD PRO 10 1HD PRO 10 1.635 15.647 -4.107 944 2HD PRO 10 2HD PRO 10 2.144 17.030 -3.158 945 H VAL 11 H VAL 11 5.283 12.397 -1.600 946 HA VAL 11 HA VAL 11 4.194 10.702 -3.715 947 HB VAL 11 HB VAL 11 6.649 11.826 -3.982 948 1HG1 VAL 11 1HG1 VAL 11 7.407 10.586 -1.914 949 2HG1 VAL 11 2HG1 VAL 11 7.208 9.076 -2.834 950 3HG1 VAL 11 3HG1 VAL 11 8.384 10.299 -3.374 951 1HG2 VAL 11 1HG2 VAL 11 5.366 10.556 -5.676 952 2HG2 VAL 11 2HG2 VAL 11 7.089 10.110 -5.655 953 3HG2 VAL 11 3HG2 VAL 11 5.882 9.036 -4.907 954 H LYS 12 H LYS 12 3.831 8.574 -3.067 955 HA LYS 12 HA LYS 12 4.527 8.034 -0.263 956 1HB LYS 12 1HB LYS 12 1.999 7.678 -1.803 957 2HB LYS 12 2HB LYS 12 2.413 6.423 -0.652 958 1HG LYS 12 1HG LYS 12 1.545 7.766 0.962 959 2HG LYS 12 2HG LYS 12 2.961 8.779 0.766 960 1HD LYS 12 1HD LYS 12 1.821 10.393 -0.434 961 2HD LYS 12 2HD LYS 12 0.805 9.223 -1.254 962 1HE LYS 12 1HE LYS 12 -0.861 9.887 0.150 963 2HE LYS 12 2HE LYS 12 -0.032 8.975 1.397 964 1HZ LYS 12 1HZ LYS 12 1.339 11.177 1.530 965 2HZ LYS 12 2HZ LYS 12 -0.032 11.828 0.926 966 3HZ LYS 12 3HZ LYS 12 -0.071 11.007 2.337 967 H HIS 13 H HIS 13 5.914 6.381 0.063 968 HA HIS 13 HA HIS 13 6.419 4.649 -2.225 969 1HB HIS 13 1HB HIS 13 8.356 5.799 -1.372 970 2HB HIS 13 2HB HIS 13 8.022 5.273 0.266 971 HD1 HIS 13 HD1 HIS 13 9.652 4.206 -2.901 972 HD2 HIS 13 HD2 HIS 13 8.546 2.468 0.753 973 HE1 HIS 13 HE1 HIS 13 10.892 1.980 -2.763 974 HE2 HIS 13 HE2 HIS 13 10.215 0.984 -0.473 975 H VAL 14 H VAL 14 5.760 2.549 -2.249 976 HA VAL 14 HA VAL 14 4.549 1.554 0.219 977 HB VAL 14 HB VAL 14 4.295 0.706 -2.673 978 1HG1 VAL 14 1HG1 VAL 14 4.039 -1.262 -1.326 979 2HG1 VAL 14 2HG1 VAL 14 2.999 -0.403 -0.164 980 3HG1 VAL 14 3HG1 VAL 14 2.413 -0.727 -1.813 981 1HG2 VAL 14 1HG2 VAL 14 3.229 2.890 -1.991 982 2HG2 VAL 14 2HG2 VAL 14 2.104 1.662 -2.619 983 3HG2 VAL 14 3HG2 VAL 14 2.207 1.960 -0.867 984 H LEU 15 H LEU 15 5.460 -0.089 1.370 985 HA LEU 15 HA LEU 15 7.545 -1.643 0.022 986 1HB LEU 15 1HB LEU 15 8.749 -0.004 1.236 987 2HB LEU 15 2HB LEU 15 7.737 -0.193 2.654 988 HG LEU 15 HG LEU 15 8.789 -2.740 2.282 989 1HD1 LEU 15 1HD1 LEU 15 10.432 -1.018 0.796 990 2HD1 LEU 15 2HD1 LEU 15 11.312 -1.334 2.311 991 3HD1 LEU 15 3HD1 LEU 15 10.775 -2.692 1.294 992 1HD2 LEU 15 1HD2 LEU 15 9.917 -2.366 4.340 993 2HD2 LEU 15 2HD2 LEU 15 9.974 -0.608 4.070 994 3HD2 LEU 15 3HD2 LEU 15 8.417 -1.408 4.389 995 H LEU 16 H LEU 16 7.723 -3.824 0.720 996 HA LEU 16 HA LEU 16 5.575 -4.654 2.542 997 1HB LEU 16 1HB LEU 16 4.673 -5.357 0.578 998 2HB LEU 16 2HB LEU 16 6.226 -5.557 -0.210 999 HG LEU 16 HG LEU 16 5.006 -7.682 0.138 1000 1HD1 LEU 16 1HD1 LEU 16 6.914 -8.868 0.391 1001 2HD1 LEU 16 2HD1 LEU 16 7.655 -7.253 0.287 1002 3HD1 LEU 16 3HD1 LEU 16 7.389 -8.009 1.876 1003 1HD2 LEU 16 1HD2 LEU 16 3.827 -7.718 2.067 1004 2HD2 LEU 16 2HD2 LEU 16 5.311 -8.483 2.683 1005 3HD2 LEU 16 3HD2 LEU 16 5.026 -6.748 2.955 1006 H ALA 17 H ALA 17 6.224 -5.903 4.232 1007 HA ALA 17 HA ALA 17 8.846 -7.192 3.992 1008 1HB ALA 17 1HB ALA 17 9.355 -5.227 5.222 1009 2HB ALA 17 2HB ALA 17 7.844 -5.320 6.157 1010 3HB ALA 17 3HB ALA 17 9.148 -6.494 6.454 1011 H SER 18 H SER 18 8.989 -9.219 4.996 1012 HA SER 18 HA SER 18 6.540 -10.070 6.326 1013 1HB SER 18 1HB SER 18 6.817 -10.931 3.920 1014 2HB SER 18 2HB SER 18 8.201 -11.843 4.489 1015 HG SER 18 HG SER 18 6.776 -12.908 6.040 1016 H PHE 19 H PHE 19 6.837 -11.529 8.105 1017 HA PHE 19 HA PHE 19 9.590 -11.583 9.063 1018 1HB PHE 19 1HB PHE 19 6.873 -12.236 10.356 1019 2HB PHE 19 2HB PHE 19 8.389 -12.137 11.229 1020 HD1 PHE 19 HD1 PHE 19 5.715 -10.545 11.560 1021 HD2 PHE 19 HD2 PHE 19 9.442 -9.660 9.732 1022 HE1 PHE 19 HE1 PHE 19 5.328 -8.096 11.954 1023 HE2 PHE 19 HE2 PHE 19 9.054 -7.212 10.127 1024 HZ PHE 19 HZ PHE 19 7.001 -6.459 11.233 1025 H LYS 20 H LYS 20 10.760 -13.395 8.652 1026 HA LYS 20 HA LYS 20 9.943 -15.681 7.543 1027 1HB LYS 20 1HB LYS 20 12.052 -15.481 9.713 1028 2HB LYS 20 2HB LYS 20 11.928 -16.739 8.501 1029 1HG LYS 20 1HG LYS 20 12.036 -14.801 6.748 1030 2HG LYS 20 2HG LYS 20 12.575 -13.797 8.079 1031 1HD LYS 20 1HD LYS 20 14.678 -14.598 7.830 1032 2HD LYS 20 2HD LYS 20 14.110 -16.207 8.228 1033 1HE LYS 20 1HE LYS 20 13.330 -15.607 5.500 1034 2HE LYS 20 2HE LYS 20 15.033 -15.238 5.684 1035 1HZ LYS 20 1HZ LYS 20 13.780 -17.777 6.473 1036 2HZ LYS 20 2HZ LYS 20 14.648 -17.540 5.110 1037 3HZ LYS 20 3HZ LYS 20 15.372 -17.429 6.569 1038 H ASP 21 H ASP 21 9.311 -17.811 8.253 1039 HA ASP 21 HA ASP 21 7.405 -17.659 10.323 1040 1HB ASP 21 1HB ASP 21 7.054 -20.083 9.807 1041 2HB ASP 21 2HB ASP 21 7.014 -19.079 8.372 1042 H GLY 22 H GLY 22 7.800 -18.060 12.508 1043 1HA GLY 22 1HA GLY 22 8.654 -19.601 14.143 1044 2HA GLY 22 2HA GLY 22 10.117 -19.763 13.192 1045 H VAL 23 H VAL 23 8.759 -16.543 13.283 1046 HA VAL 23 HA VAL 23 11.014 -15.694 14.904 1047 HB VAL 23 HB VAL 23 8.973 -14.221 13.231 1048 1HG1 VAL 23 1HG1 VAL 23 9.586 -12.281 14.148 1049 2HG1 VAL 23 2HG1 VAL 23 10.464 -13.202 15.392 1050 3HG1 VAL 23 3HG1 VAL 23 11.311 -12.660 13.923 1051 1HG2 VAL 23 1HG2 VAL 23 10.600 -14.023 11.581 1052 2HG2 VAL 23 2HG2 VAL 23 11.938 -14.339 12.712 1053 3HG2 VAL 23 3HG2 VAL 23 10.878 -15.671 12.191 1054 H SER 24 H SER 24 10.858 -14.921 16.977 1055 HA SER 24 HA SER 24 8.637 -15.564 18.457 1056 1HB SER 24 1HB SER 24 10.852 -13.549 19.039 1057 2HB SER 24 2HB SER 24 9.710 -14.121 20.238 1058 HG SER 24 HG SER 24 10.600 -16.363 19.248 1059 HA PRO 25 HA PRO 25 6.018 -12.120 18.004 1060 1HB PRO 25 1HB PRO 25 4.724 -12.019 20.409 1061 2HB PRO 25 2HB PRO 25 4.302 -13.152 19.141 1062 1HG PRO 25 1HG PRO 25 5.766 -13.651 21.660 1063 2HG PRO 25 2HG PRO 25 4.973 -14.803 20.605 1064 1HD PRO 25 1HD PRO 25 7.793 -14.316 20.804 1065 2HD PRO 25 2HD PRO 25 6.991 -15.383 19.668 1066 H GLU 26 H GLU 26 7.965 -12.069 20.907 1067 HA GLU 26 HA GLU 26 7.585 -9.398 21.470 1068 1HB GLU 26 1HB GLU 26 9.585 -11.500 22.166 1069 2HB GLU 26 2HB GLU 26 10.136 -9.850 22.372 1070 1HG GLU 26 1HG GLU 26 8.106 -9.350 23.756 1071 2HG GLU 26 2HG GLU 26 7.568 -11.006 23.559 1072 H LYS 27 H LYS 27 9.506 -11.018 18.991 1073 HA LYS 27 HA LYS 27 11.204 -8.772 18.498 1074 1HB LYS 27 1HB LYS 27 11.362 -11.441 17.963 1075 2HB LYS 27 2HB LYS 27 10.854 -10.833 16.401 1076 1HG LYS 27 1HG LYS 27 13.008 -9.257 17.756 1077 2HG LYS 27 2HG LYS 27 13.462 -10.870 17.244 1078 1HD LYS 27 1HD LYS 27 12.480 -10.301 14.938 1079 2HD LYS 27 2HD LYS 27 12.322 -8.646 15.494 1080 1HE LYS 27 1HE LYS 27 14.977 -9.381 16.173 1081 2HE LYS 27 2HE LYS 27 14.719 -10.071 14.584 1082 1HZ LYS 27 1HZ LYS 27 15.360 -7.541 15.016 1083 2HZ LYS 27 2HZ LYS 27 14.588 -8.057 13.673 1084 3HZ LYS 27 3HZ LYS 27 13.737 -7.398 14.901 1085 H ILE 28 H ILE 28 8.061 -10.000 17.350 1086 HA ILE 28 HA ILE 28 7.923 -8.377 15.058 1087 HB ILE 28 HB ILE 28 5.800 -9.690 16.755 1088 1HG1 ILE 28 1HG1 ILE 28 7.215 -10.514 14.208 1089 2HG1 ILE 28 2HG1 ILE 28 7.299 -11.299 15.772 1090 1HG2 ILE 28 1HG2 ILE 28 4.176 -9.181 15.170 1091 2HG2 ILE 28 2HG2 ILE 28 5.085 -7.659 15.329 1092 3HG2 ILE 28 3HG2 ILE 28 5.376 -8.728 13.935 1093 1HD1 ILE 28 1HD1 ILE 28 4.922 -11.150 13.882 1094 2HD1 ILE 28 2HD1 ILE 28 5.739 -12.598 14.518 1095 3HD1 ILE 28 3HD1 ILE 28 4.731 -11.601 15.594 1096 H GLU 29 H GLU 29 6.634 -7.977 18.426 1097 HA GLU 29 HA GLU 29 5.555 -5.465 17.902 1098 1HB GLU 29 1HB GLU 29 5.569 -5.274 20.452 1099 2HB GLU 29 2HB GLU 29 4.734 -6.668 19.796 1100 1HG GLU 29 1HG GLU 29 6.506 -8.162 20.377 1101 2HG GLU 29 2HG GLU 29 7.667 -6.862 20.561 1102 H GLU 30 H GLU 30 8.810 -6.596 18.740 1103 HA GLU 30 HA GLU 30 9.799 -4.205 19.727 1104 1HB GLU 30 1HB GLU 30 10.859 -6.790 18.806 1105 2HB GLU 30 2HB GLU 30 11.954 -5.470 18.445 1106 1HG GLU 30 1HG GLU 30 10.964 -5.016 21.101 1107 2HG GLU 30 2HG GLU 30 11.397 -6.712 21.008 1108 H LEU 31 H LEU 31 9.429 -5.485 16.394 1109 HA LEU 31 HA LEU 31 10.969 -3.492 15.144 1110 1HB LEU 31 1HB LEU 31 9.263 -5.724 14.404 1111 2HB LEU 31 2HB LEU 31 9.045 -4.361 13.323 1112 HG LEU 31 HG LEU 31 10.715 -5.893 12.455 1113 1HD1 LEU 31 1HD1 LEU 31 12.584 -4.313 12.117 1114 2HD1 LEU 31 2HD1 LEU 31 10.989 -3.553 11.903 1115 3HD1 LEU 31 3HD1 LEU 31 11.913 -3.274 13.398 1116 1HD2 LEU 31 1HD2 LEU 31 12.149 -5.421 15.079 1117 2HD2 LEU 31 2HD2 LEU 31 11.530 -6.958 14.427 1118 3HD2 LEU 31 3HD2 LEU 31 12.910 -6.150 13.645 1119 H ILE 32 H ILE 32 7.495 -3.760 16.046 1120 HA ILE 32 HA ILE 32 6.746 -1.378 14.728 1121 HB ILE 32 HB ILE 32 5.466 -2.970 16.950 1122 1HG1 ILE 32 1HG1 ILE 32 4.898 -2.883 13.972 1123 2HG1 ILE 32 2HG1 ILE 32 5.764 -4.162 14.801 1124 1HG2 ILE 32 1HG2 ILE 32 3.531 -1.472 15.538 1125 2HG2 ILE 32 2HG2 ILE 32 4.022 -1.314 17.242 1126 3HG2 ILE 32 3HG2 ILE 32 4.828 -0.340 15.990 1127 1HD1 ILE 32 1HD1 ILE 32 3.114 -4.298 14.361 1128 2HD1 ILE 32 2HD1 ILE 32 3.855 -5.002 15.818 1129 3HD1 ILE 32 3HD1 ILE 32 3.070 -3.406 15.900 1130 H LYS 33 H LYS 33 7.502 -2.169 18.189 1131 HA LYS 33 HA LYS 33 7.193 0.452 19.100 1132 1HB LYS 33 1HB LYS 33 7.645 -0.456 21.101 1133 2HB LYS 33 2HB LYS 33 7.561 -1.986 20.253 1134 1HG LYS 33 1HG LYS 33 10.031 -1.896 19.848 1135 2HG LYS 33 2HG LYS 33 10.114 -0.365 20.696 1136 1HD LYS 33 1HD LYS 33 8.932 -1.710 22.664 1137 2HD LYS 33 2HD LYS 33 9.536 -3.119 21.816 1138 1HE LYS 33 1HE LYS 33 11.732 -2.678 22.359 1139 2HE LYS 33 2HE LYS 33 11.546 -0.948 22.157 1140 1HZ LYS 33 1HZ LYS 33 10.987 -0.701 24.291 1141 2HZ LYS 33 2HZ LYS 33 10.119 -2.081 24.377 1142 3HZ LYS 33 3HZ LYS 33 11.746 -2.132 24.503 1143 H GLY 34 H GLY 34 9.930 -1.301 17.602 1144 1HA GLY 34 1HA GLY 34 11.978 0.495 18.201 1145 2HA GLY 34 2HA GLY 34 11.907 -0.579 16.819 1146 H TYR 35 H TYR 35 9.664 0.377 15.404 1147 HA TYR 35 HA TYR 35 10.721 2.413 13.908 1148 1HB TYR 35 1HB TYR 35 8.105 1.051 14.448 1149 2HB TYR 35 2HB TYR 35 7.906 2.658 13.778 1150 HD1 TYR 35 HD1 TYR 35 9.982 2.968 11.814 1151 HD2 TYR 35 HD2 TYR 35 7.753 -0.546 12.807 1152 HE1 TYR 35 HE1 TYR 35 10.390 2.041 9.482 1153 HE2 TYR 35 HE2 TYR 35 8.168 -1.462 10.472 1154 HH TYR 35 HH TYR 35 10.149 0.358 8.149 1155 H ALA 36 H ALA 36 8.652 2.589 16.837 1156 HA ALA 36 HA ALA 36 8.037 5.316 16.612 1157 1HB ALA 36 1HB ALA 36 8.025 4.733 19.321 1158 2HB ALA 36 2HB ALA 36 6.673 4.452 18.197 1159 3HB ALA 36 3HB ALA 36 7.805 3.132 18.576 1160 H ASN 37 H ASN 37 10.818 3.502 17.966 1161 HA ASN 37 HA ASN 37 11.915 5.820 19.164 1162 1HB ASN 37 1HB ASN 37 12.324 3.354 19.841 1163 2HB ASN 37 2HB ASN 37 13.366 3.226 18.438 1164 1HD2 ASN 37 1HD2 ASN 37 15.353 3.132 19.184 1165 2HD2 ASN 37 2HD2 ASN 37 16.106 4.242 20.280 1166 H LEU 38 H LEU 38 12.117 4.061 16.064 1167 HA LEU 38 HA LEU 38 14.501 5.310 15.166 1168 1HB LEU 38 1HB LEU 38 12.849 3.200 14.376 1169 2HB LEU 38 2HB LEU 38 12.729 4.366 13.074 1170 HG LEU 38 HG LEU 38 15.251 4.404 12.979 1171 1HD1 LEU 38 1HD1 LEU 38 16.335 3.535 14.721 1172 2HD1 LEU 38 2HD1 LEU 38 14.900 2.644 15.281 1173 3HD1 LEU 38 3HD1 LEU 38 15.951 1.941 14.028 1174 1HD2 LEU 38 1HD2 LEU 38 14.042 1.677 12.471 1175 2HD2 LEU 38 2HD2 LEU 38 13.765 3.100 11.438 1176 3HD2 LEU 38 3HD2 LEU 38 15.409 2.443 11.628 1177 H VAL 39 H VAL 39 10.966 5.857 14.594 1178 HA VAL 39 HA VAL 39 11.351 8.036 12.870 1179 HB VAL 39 HB VAL 39 8.973 8.489 13.362 1180 1HG1 VAL 39 1HG1 VAL 39 8.991 7.015 11.638 1181 2HG1 VAL 39 2HG1 VAL 39 10.041 5.859 12.493 1182 3HG1 VAL 39 3HG1 VAL 39 8.299 5.916 12.856 1183 1HG2 VAL 39 1HG2 VAL 39 7.983 6.431 14.807 1184 2HG2 VAL 39 2HG2 VAL 39 9.542 6.661 15.635 1185 3HG2 VAL 39 3HG2 VAL 39 8.394 8.015 15.506 1186 H ASN 40 H ASN 40 11.516 7.649 16.370 1187 HA ASN 40 HA ASN 40 11.121 10.405 16.892 1188 1HB ASN 40 1HB ASN 40 10.579 8.880 18.682 1189 2HB ASN 40 2HB ASN 40 12.101 8.025 18.526 1190 1HD2 ASN 40 1HD2 ASN 40 11.052 11.417 18.877 1191 2HD2 ASN 40 2HD2 ASN 40 12.111 11.840 20.180 1192 H LEU 41 H LEU 41 13.754 8.266 15.957 1193 HA LEU 41 HA LEU 41 15.794 10.111 16.884 1194 1HB LEU 41 1HB LEU 41 15.620 7.305 16.288 1195 2HB LEU 41 2HB LEU 41 16.896 8.027 15.328 1196 HG LEU 41 HG LEU 41 17.825 7.172 17.372 1197 1HD1 LEU 41 1HD1 LEU 41 17.761 10.145 17.831 1198 2HD1 LEU 41 2HD1 LEU 41 19.109 8.999 18.019 1199 3HD1 LEU 41 3HD1 LEU 41 18.546 9.452 16.392 1200 1HD2 LEU 41 1HD2 LEU 41 17.039 8.493 19.545 1201 2HD2 LEU 41 2HD2 LEU 41 15.515 8.571 18.630 1202 3HD2 LEU 41 3HD2 LEU 41 16.249 6.993 19.002 1203 H ILE 42 H ILE 42 14.323 8.850 13.846 1204 HA ILE 42 HA ILE 42 16.007 9.993 12.026 1205 HB ILE 42 HB ILE 42 13.043 9.478 11.991 1206 1HG1 ILE 42 1HG1 ILE 42 15.162 8.043 10.407 1207 2HG1 ILE 42 2HG1 ILE 42 14.901 7.643 12.093 1208 1HG2 ILE 42 1HG2 ILE 42 14.720 10.242 9.590 1209 2HG2 ILE 42 2HG2 ILE 42 12.972 9.907 9.641 1210 3HG2 ILE 42 3HG2 ILE 42 13.624 11.356 10.443 1211 1HD1 ILE 42 1HD1 ILE 42 12.635 6.975 11.711 1212 2HD1 ILE 42 2HD1 ILE 42 12.590 7.767 10.117 1213 3HD1 ILE 42 3HD1 ILE 42 13.556 6.290 10.350 1214 H GLU 43 H GLU 43 16.848 12.019 12.255 1215 HA GLU 43 HA GLU 43 15.830 14.116 13.510 1216 1HB GLU 43 1HB GLU 43 17.815 13.683 11.439 1217 2HB GLU 43 2HB GLU 43 16.997 15.203 11.138 1218 1HG GLU 43 1HG GLU 43 17.835 16.196 13.044 1219 2HG GLU 43 2HG GLU 43 17.715 14.727 13.993 1220 HA PRO 44 HA PRO 44 13.329 15.404 9.691 1221 1HB PRO 44 1HB PRO 44 13.126 13.721 7.548 1222 2HB PRO 44 2HB PRO 44 14.293 15.025 7.635 1223 1HG PRO 44 1HG PRO 44 14.734 12.119 7.954 1224 2HG PRO 44 2HG PRO 44 15.906 13.377 7.616 1225 1HD PRO 44 1HD PRO 44 15.462 12.077 10.134 1226 2HD PRO 44 2HD PRO 44 16.552 13.413 9.822 1227 H MET 45 H MET 45 12.627 12.155 8.670 1228 HA MET 45 HA MET 45 10.827 10.952 8.885 1229 1HB MET 45 1HB MET 45 11.862 11.302 11.419 1230 2HB MET 45 2HB MET 45 10.239 11.909 11.678 1231 1HG MET 45 1HG MET 45 11.041 9.139 10.684 1232 2HG MET 45 2HG MET 45 10.198 9.534 12.169 1233 1HE MET 45 1HE MET 45 9.915 8.734 8.428 1234 2HE MET 45 2HE MET 45 9.500 7.517 9.659 1235 3HE MET 45 3HE MET 45 8.247 8.128 8.553 1236 H LYS 46 H LYS 46 9.664 12.367 7.349 1237 HA LYS 46 HA LYS 46 8.115 14.529 8.192 1238 1HB LYS 46 1HB LYS 46 8.745 13.225 5.778 1239 2HB LYS 46 2HB LYS 46 6.998 13.151 5.897 1240 1HG LYS 46 1HG LYS 46 7.607 15.239 4.789 1241 2HG LYS 46 2HG LYS 46 6.944 15.623 6.365 1242 1HD LYS 46 1HD LYS 46 8.837 16.903 6.576 1243 2HD LYS 46 2HD LYS 46 9.583 15.386 7.038 1244 1HE LYS 46 1HE LYS 46 10.961 15.506 5.241 1245 2HE LYS 46 2HE LYS 46 9.578 15.464 4.166 1246 1HZ LYS 46 1HZ LYS 46 11.115 17.483 4.149 1247 2HZ LYS 46 2HZ LYS 46 9.503 17.737 4.075 1248 3HZ LYS 46 3HZ LYS 46 10.302 17.962 5.482 1249 H ALA 47 H ALA 47 7.103 11.120 7.422 1250 HA ALA 47 HA ALA 47 5.404 11.015 9.679 1251 1HB ALA 47 1HB ALA 47 3.401 10.684 7.811 1252 2HB ALA 47 2HB ALA 47 3.655 12.150 8.789 1253 3HB ALA 47 3HB ALA 47 4.314 12.056 7.138 1254 H PHE 48 H PHE 48 4.778 8.867 10.083 1255 HA PHE 48 HA PHE 48 5.619 6.965 8.009 1256 1HB PHE 48 1HB PHE 48 7.200 6.848 9.848 1257 2HB PHE 48 2HB PHE 48 5.948 7.114 11.045 1258 HD1 PHE 48 HD1 PHE 48 6.542 4.624 8.314 1259 HD2 PHE 48 HD2 PHE 48 5.565 5.295 12.388 1260 HE1 PHE 48 HE1 PHE 48 6.365 2.147 8.680 1261 HE2 PHE 48 HE2 PHE 48 5.387 2.818 12.754 1262 HZ PHE 48 HZ PHE 48 5.790 1.274 10.895 1263 H HIS 49 H HIS 49 3.918 5.833 7.212 1264 HA HIS 49 HA HIS 49 1.684 5.376 9.054 1265 1HB HIS 49 1HB HIS 49 1.788 6.459 6.362 1266 2HB HIS 49 2HB HIS 49 0.773 5.031 6.417 1267 HD1 HIS 49 HD1 HIS 49 0.484 8.544 6.734 1268 HD2 HIS 49 HD2 HIS 49 -1.095 5.309 8.889 1269 HE1 HIS 49 HE1 HIS 49 -1.555 9.441 7.979 1270 HE2 HIS 49 HE2 HIS 49 -2.514 7.396 9.241 1271 H TRP 50 H TRP 50 0.832 3.277 9.219 1272 HA TRP 50 HA TRP 50 2.137 1.234 7.578 1273 1HB TRP 50 1HB TRP 50 2.892 -0.021 9.325 1274 2HB TRP 50 2HB TRP 50 3.215 1.599 9.908 1275 HD1 TRP 50 HD1 TRP 50 1.271 2.570 11.748 1276 HE1 TRP 50 HE1 TRP 50 -0.069 1.342 13.661 1277 HE3 TRP 50 HE3 TRP 50 1.929 -2.126 9.914 1278 HZ2 TRP 50 HZ2 TRP 50 -0.689 -1.395 14.181 1279 HZ3 TRP 50 HZ3 TRP 50 0.924 -4.021 11.185 1280 HH2 TRP 50 HH2 TRP 50 -0.348 -3.713 13.249 1281 H GLY 51 H GLY 51 0.778 -0.630 7.239 1282 1HA GLY 51 1HA GLY 51 -1.848 -0.669 8.485 1283 2HA GLY 51 2HA GLY 51 -1.828 -0.314 6.769 1284 H LYS 52 H LYS 52 -2.418 -2.779 8.789 1285 HA LYS 52 HA LYS 52 -1.066 -4.750 7.078 1286 1HB LYS 52 1HB LYS 52 -1.028 -6.259 8.926 1287 2HB LYS 52 2HB LYS 52 -0.356 -4.736 9.472 1288 1HG LYS 52 1HG LYS 52 -2.653 -4.127 10.389 1289 2HG LYS 52 2HG LYS 52 -3.198 -5.739 9.968 1290 1HD LYS 52 1HD LYS 52 -0.823 -5.179 11.805 1291 2HD LYS 52 2HD LYS 52 -2.449 -5.481 12.383 1292 1HE LYS 52 1HE LYS 52 -1.993 -7.607 10.600 1293 2HE LYS 52 2HE LYS 52 -0.438 -7.393 11.378 1294 1HZ LYS 52 1HZ LYS 52 -1.571 -7.497 13.507 1295 2HZ LYS 52 2HZ LYS 52 -3.005 -7.740 12.765 1296 3HZ LYS 52 3HZ LYS 52 -1.821 -8.858 12.639 1297 H ASP 53 H ASP 53 -2.320 -6.671 6.496 1298 HA ASP 53 HA ASP 53 -4.625 -6.190 5.323 1299 1HB ASP 53 1HB ASP 53 -5.181 -8.677 5.741 1300 2HB ASP 53 2HB ASP 53 -3.640 -8.327 4.984 1301 H VAL 54 H VAL 54 -6.751 -5.726 5.960 1302 HA VAL 54 HA VAL 54 -7.339 -6.022 8.815 1303 HB VAL 54 HB VAL 54 -8.473 -4.237 6.657 1304 1HG1 VAL 54 1HG1 VAL 54 -10.372 -4.610 7.927 1305 2HG1 VAL 54 2HG1 VAL 54 -9.452 -4.848 9.432 1306 3HG1 VAL 54 3HG1 VAL 54 -9.657 -3.211 8.764 1307 1HG2 VAL 54 1HG2 VAL 54 -6.951 -2.750 7.319 1308 2HG2 VAL 54 2HG2 VAL 54 -7.540 -2.859 8.995 1309 3HG2 VAL 54 3HG2 VAL 54 -6.264 -3.962 8.427 1310 H SER 55 H SER 55 -8.583 -7.718 9.395 1311 HA SER 55 HA SER 55 -9.786 -9.539 9.132 1312 1HB SER 55 1HB SER 55 -12.173 -9.058 8.469 1313 2HB SER 55 2HB SER 55 -11.531 -7.952 9.667 1314 HG SER 55 HG SER 55 -11.533 -7.386 6.828 1315 H ILE 56 H ILE 56 -8.154 -10.315 7.431 1316 HA ILE 56 HA ILE 56 -9.355 -10.366 4.760 1317 HB ILE 56 HB ILE 56 -7.059 -9.465 5.033 1318 1HG1 ILE 56 1HG1 ILE 56 -6.104 -10.700 3.137 1319 2HG1 ILE 56 2HG1 ILE 56 -7.265 -11.992 3.367 1320 1HG2 ILE 56 1HG2 ILE 56 -6.154 -12.294 5.559 1321 2HG2 ILE 56 2HG2 ILE 56 -5.226 -10.779 5.667 1322 3HG2 ILE 56 3HG2 ILE 56 -6.478 -11.143 6.878 1323 1HD1 ILE 56 1HD1 ILE 56 -8.166 -9.117 2.947 1324 2HD1 ILE 56 2HD1 ILE 56 -7.831 -10.207 1.580 1325 3HD1 ILE 56 3HD1 ILE 56 -9.114 -10.610 2.746 1326 H GLU 57 H GLU 57 -9.027 -12.161 7.655 1327 HA GLU 57 HA GLU 57 -9.236 -14.270 8.180 1328 1HB GLU 57 1HB GLU 57 -11.320 -13.673 6.170 1329 2HB GLU 57 2HB GLU 57 -11.009 -15.389 6.344 1330 1HG GLU 57 1HG GLU 57 -11.090 -14.110 8.972 1331 2HG GLU 57 2HG GLU 57 -12.546 -13.733 8.073 1332 H ASN 58 H ASN 58 -6.898 -13.861 6.680 1333 HA ASN 58 HA ASN 58 -5.329 -14.982 5.687 1334 1HB ASN 58 1HB ASN 58 -7.176 -17.419 5.568 1335 2HB ASN 58 2HB ASN 58 -5.425 -17.429 5.510 1336 1HD2 ASN 58 1HD2 ASN 58 -7.914 -18.141 7.401 1337 2HD2 ASN 58 2HD2 ASN 58 -7.279 -17.848 8.985 1338 H LEU 59 H LEU 59 -4.842 -14.571 3.524 1339 HA LEU 59 HA LEU 59 -6.158 -15.829 1.406 1340 1HB LEU 59 1HB LEU 59 -7.824 -13.984 2.314 1341 2HB LEU 59 2HB LEU 59 -6.815 -12.919 1.357 1342 HG LEU 59 HG LEU 59 -8.567 -13.474 -0.072 1343 1HD1 LEU 59 1HD1 LEU 59 -7.596 -14.713 -1.885 1344 2HD1 LEU 59 2HD1 LEU 59 -6.313 -13.770 -1.089 1345 3HD1 LEU 59 3HD1 LEU 59 -6.450 -15.519 -0.787 1346 1HD2 LEU 59 1HD2 LEU 59 -9.489 -15.698 -0.403 1347 2HD2 LEU 59 2HD2 LEU 59 -8.293 -16.387 0.721 1348 3HD2 LEU 59 3HD2 LEU 59 -9.532 -15.259 1.322 1349 H HIS 60 H HIS 60 -4.320 -12.977 2.602 1350 HA HIS 60 HA HIS 60 -3.026 -12.272 0.319 1351 1HB HIS 60 1HB HIS 60 -1.202 -11.482 1.820 1352 2HB HIS 60 2HB HIS 60 -2.808 -10.967 2.296 1353 HD1 HIS 60 HD1 HIS 60 -0.200 -13.599 3.238 1354 HD2 HIS 60 HD2 HIS 60 -3.505 -11.608 4.883 1355 HE1 HIS 60 HE1 HIS 60 -0.281 -14.262 5.701 1356 HE2 HIS 60 HE2 HIS 60 -2.299 -12.965 6.671 1357 H GLN 61 H GLN 61 -0.960 -12.824 -0.636 1358 HA GLN 61 HA GLN 61 -0.576 -15.615 -0.680 1359 1HB GLN 61 1HB GLN 61 0.040 -13.409 -2.344 1360 2HB GLN 61 2HB GLN 61 1.596 -14.084 -1.902 1361 1HG GLN 61 1HG GLN 61 0.618 -15.125 -3.977 1362 2HG GLN 61 2HG GLN 61 0.961 -16.293 -2.717 1363 1HE2 GLN 61 1HE2 GLN 61 -1.576 -14.279 -4.130 1364 2HE2 GLN 61 2HE2 GLN 61 -2.922 -15.304 -3.755 1365 H GLY 62 H GLY 62 0.421 -13.218 1.491 1366 1HA GLY 62 1HA GLY 62 1.652 -14.190 3.400 1367 2HA GLY 62 2HA GLY 62 2.830 -14.768 2.239 1368 H TYR 63 H TYR 63 1.082 -11.595 2.340 1369 HA TYR 63 HA TYR 63 3.616 -10.243 2.023 1370 1HB TYR 63 1HB TYR 63 0.621 -9.619 2.081 1371 2HB TYR 63 2HB TYR 63 1.757 -8.289 2.180 1372 HD1 TYR 63 HD1 TYR 63 3.023 -7.570 0.250 1373 HD2 TYR 63 HD2 TYR 63 0.497 -11.016 0.026 1374 HE1 TYR 63 HE1 TYR 63 3.218 -7.558 -2.285 1375 HE2 TYR 63 HE2 TYR 63 0.700 -10.992 -2.508 1376 HH TYR 63 HH TYR 63 1.302 -9.754 -4.251 1377 H THR 64 H THR 64 1.037 -10.666 4.493 1378 HA THR 64 HA THR 64 1.166 -10.412 6.717 1379 HB THR 64 HB THR 64 3.913 -9.132 6.506 1380 HG1 THR 64 HG1 THR 64 4.655 -11.093 5.745 1381 1HG2 THR 64 1HG2 THR 64 4.211 -9.972 8.644 1382 2HG2 THR 64 2HG2 THR 64 2.431 -9.950 8.681 1383 3HG2 THR 64 3HG2 THR 64 3.295 -11.456 8.287 1384 H HIS 65 H HIS 65 2.796 -7.625 5.061 1385 HA HIS 65 HA HIS 65 0.679 -5.914 5.325 1386 1HB HIS 65 1HB HIS 65 1.519 -4.464 7.233 1387 2HB HIS 65 2HB HIS 65 0.701 -5.953 7.663 1388 HD1 HIS 65 HD1 HIS 65 2.132 -7.857 8.751 1389 HD2 HIS 65 HD2 HIS 65 4.268 -4.350 7.895 1390 HE1 HIS 65 HE1 HIS 65 4.355 -8.054 9.989 1391 HE2 HIS 65 HE2 HIS 65 5.646 -5.895 9.380 1392 H ILE 66 H ILE 66 1.512 -3.492 5.163 1393 HA ILE 66 HA ILE 66 4.135 -3.493 3.862 1394 HB ILE 66 HB ILE 66 3.229 -2.091 2.068 1395 1HG1 ILE 66 1HG1 ILE 66 0.463 -2.722 2.184 1396 2HG1 ILE 66 2HG1 ILE 66 0.892 -2.054 3.746 1397 1HG2 ILE 66 1HG2 ILE 66 1.523 -4.232 1.421 1398 2HG2 ILE 66 2HG2 ILE 66 3.236 -4.025 0.982 1399 3HG2 ILE 66 3HG2 ILE 66 2.797 -4.914 2.461 1400 1HD1 ILE 66 1HD1 ILE 66 2.231 -0.291 2.187 1401 2HD1 ILE 66 2HD1 ILE 66 0.952 -0.762 1.042 1402 3HD1 ILE 66 3HD1 ILE 66 0.520 -0.069 2.624 1403 H PHE 67 H PHE 67 5.340 -1.596 4.152 1404 HA PHE 67 HA PHE 67 4.093 0.307 6.009 1405 1HB PHE 67 1HB PHE 67 6.982 -0.654 5.566 1406 2HB PHE 67 2HB PHE 67 6.575 0.656 6.657 1407 HD1 PHE 67 HD1 PHE 67 4.679 0.008 8.434 1408 HD2 PHE 67 HD2 PHE 67 7.233 -2.755 6.473 1409 HE1 PHE 67 HE1 PHE 67 4.306 -1.648 10.283 1410 HE2 PHE 67 HE2 PHE 67 6.861 -4.412 8.322 1411 HZ PHE 67 HZ PHE 67 5.401 -3.839 10.204 1412 H GLU 68 H GLU 68 3.637 2.233 5.061 1413 HA GLU 68 HA GLU 68 5.396 3.034 2.878 1414 1HB GLU 68 1HB GLU 68 3.098 2.747 2.129 1415 2HB GLU 68 2HB GLU 68 2.484 3.716 3.454 1416 1HG GLU 68 1HG GLU 68 4.530 5.123 1.835 1417 2HG GLU 68 2HG GLU 68 3.115 4.666 0.908 1418 H SER 69 H SER 69 6.405 5.068 2.934 1419 HA SER 69 HA SER 69 5.979 6.514 5.432 1420 1HB SER 69 1HB SER 69 8.267 5.374 4.945 1421 2HB SER 69 2HB SER 69 8.506 6.632 3.748 1422 HG SER 69 HG SER 69 9.245 6.909 6.155 1423 H THR 70 H THR 70 5.632 8.770 5.328 1424 HA THR 70 HA THR 70 4.924 9.762 2.698 1425 HB THR 70 HB THR 70 4.684 10.920 5.526 1426 HG1 THR 70 HG1 THR 70 2.956 9.547 3.592 1427 1HG2 THR 70 1HG2 THR 70 3.345 11.714 2.885 1428 2HG2 THR 70 2HG2 THR 70 2.943 12.378 4.488 1429 3HG2 THR 70 3HG2 THR 70 4.539 12.699 3.766 1430 H PHE 71 H PHE 71 6.166 10.965 1.409 1431 HA PHE 71 HA PHE 71 8.364 12.419 2.689 1432 1HB PHE 71 1HB PHE 71 8.305 10.702 0.137 1433 2HB PHE 71 2HB PHE 71 9.649 11.751 0.539 1434 HD1 PHE 71 HD1 PHE 71 9.767 11.232 3.506 1435 HD2 PHE 71 HD2 PHE 71 9.327 8.592 0.213 1436 HE1 PHE 71 HE1 PHE 71 10.808 9.383 4.848 1437 HE2 PHE 71 HE2 PHE 71 10.368 6.744 1.555 1438 HZ PHE 71 HZ PHE 71 11.096 7.162 3.856 1439 H GLU 72 H GLU 72 9.373 14.009 0.937 1440 HA GLU 72 HA GLU 72 7.493 14.898 -1.001 1441 1HB GLU 72 1HB GLU 72 7.239 17.196 -0.045 1442 2HB GLU 72 2HB GLU 72 6.477 15.963 0.941 1443 1HG GLU 72 1HG GLU 72 8.696 15.897 2.293 1444 2HG GLU 72 2HG GLU 72 9.130 17.372 1.450 1445 H SER 73 H SER 73 9.845 13.964 -1.697 1446 HA SER 73 HA SER 73 11.099 15.797 -3.101 1447 1HB SER 73 1HB SER 73 11.989 16.007 -0.251 1448 2HB SER 73 2HB SER 73 13.263 16.039 -1.455 1449 HG SER 73 HG SER 73 12.010 18.133 -0.735 1450 H LYS 74 H LYS 74 11.774 14.214 -4.516 1451 HA LYS 74 HA LYS 74 12.483 11.651 -3.819 1452 1HB LYS 74 1HB LYS 74 13.294 11.438 -6.082 1453 2HB LYS 74 2HB LYS 74 11.830 12.401 -6.077 1454 1HG LYS 74 1HG LYS 74 13.363 14.484 -5.997 1455 2HG LYS 74 2HG LYS 74 14.697 13.401 -6.340 1456 1HD LYS 74 1HD LYS 74 12.198 13.560 -8.085 1457 2HD LYS 74 2HD LYS 74 13.628 14.528 -8.381 1458 1HE LYS 74 1HE LYS 74 14.492 11.802 -8.012 1459 2HE LYS 74 2HE LYS 74 13.140 11.779 -9.127 1460 1HZ LYS 74 1HZ LYS 74 14.517 12.510 -10.658 1461 2HZ LYS 74 2HZ LYS 74 14.733 13.907 -9.841 1462 3HZ LYS 74 3HZ LYS 74 15.745 12.650 -9.591 1463 H GLU 75 H GLU 75 14.498 14.614 -4.113 1464 HA GLU 75 HA GLU 75 16.921 13.259 -3.811 1465 1HB GLU 75 1HB GLU 75 16.051 16.144 -3.467 1466 2HB GLU 75 2HB GLU 75 17.692 15.660 -3.088 1467 1HG GLU 75 1HG GLU 75 17.376 14.456 -5.544 1468 2HG GLU 75 2HG GLU 75 16.335 15.852 -5.742 1469 H ALA 76 H ALA 76 14.481 14.507 -1.541 1470 HA ALA 76 HA ALA 76 16.189 14.342 0.741 1471 1HB ALA 76 1HB ALA 76 13.157 14.506 0.505 1472 2HB ALA 76 2HB ALA 76 14.119 14.825 1.968 1473 3HB ALA 76 3HB ALA 76 14.264 15.899 0.557 1474 H VAL 77 H VAL 77 13.967 12.197 -1.036 1475 HA VAL 77 HA VAL 77 13.552 10.295 0.940 1476 HB VAL 77 HB VAL 77 13.712 10.098 -2.071 1477 1HG1 VAL 77 1HG1 VAL 77 14.074 7.877 -1.223 1478 2HG1 VAL 77 2HG1 VAL 77 12.753 8.054 -0.044 1479 3HG1 VAL 77 3HG1 VAL 77 12.389 7.984 -1.785 1480 1HG2 VAL 77 1HG2 VAL 77 11.925 11.508 -0.663 1481 2HG2 VAL 77 2HG2 VAL 77 11.489 10.620 -2.142 1482 3HG2 VAL 77 3HG2 VAL 77 11.153 9.909 -0.545 1483 H ALA 78 H ALA 78 16.354 10.997 -1.131 1484 HA ALA 78 HA ALA 78 17.645 8.512 -0.687 1485 1HB ALA 78 1HB ALA 78 18.229 11.147 -1.936 1486 2HB ALA 78 2HB ALA 78 19.644 10.247 -1.340 1487 3HB ALA 78 3HB ALA 78 18.552 9.500 -2.531 1488 H GLU 79 H GLU 79 17.563 11.701 0.953 1489 HA GLU 79 HA GLU 79 19.726 11.131 2.641 1490 1HB GLU 79 1HB GLU 79 17.613 13.227 2.419 1491 2HB GLU 79 2HB GLU 79 18.293 13.019 4.021 1492 1HG GLU 79 1HG GLU 79 19.968 14.386 3.293 1493 2HG GLU 79 2HG GLU 79 20.580 12.969 2.464 1494 H TYR 80 H TYR 80 16.223 10.486 2.745 1495 HA TYR 80 HA TYR 80 16.212 9.782 5.516 1496 1HB TYR 80 1HB TYR 80 14.339 9.110 3.162 1497 2HB TYR 80 2HB TYR 80 13.888 9.050 4.855 1498 HD1 TYR 80 HD1 TYR 80 15.676 11.772 5.233 1499 HD2 TYR 80 HD2 TYR 80 12.315 10.580 2.870 1500 HE1 TYR 80 HE1 TYR 80 14.897 14.189 5.109 1501 HE2 TYR 80 HE2 TYR 80 11.547 13.001 2.754 1502 HH TYR 80 HH TYR 80 13.352 15.547 4.453 1503 H ILE 81 H ILE 81 16.378 8.029 2.366 1504 HA ILE 81 HA ILE 81 16.281 5.476 3.644 1505 HB ILE 81 HB ILE 81 16.648 6.500 0.860 1506 1HG1 ILE 81 1HG1 ILE 81 14.745 4.405 1.922 1507 2HG1 ILE 81 2HG1 ILE 81 14.400 6.120 2.026 1508 1HG2 ILE 81 1HG2 ILE 81 16.859 4.079 0.137 1509 2HG2 ILE 81 2HG2 ILE 81 18.311 4.822 0.851 1510 3HG2 ILE 81 3HG2 ILE 81 17.311 3.713 1.819 1511 1HD1 ILE 81 1HD1 ILE 81 13.574 5.981 -0.080 1512 2HD1 ILE 81 2HD1 ILE 81 15.249 5.757 -0.639 1513 3HD1 ILE 81 3HD1 ILE 81 14.231 4.340 -0.289 1514 H ALA 82 H ALA 82 18.748 7.850 2.765 1515 HA ALA 82 HA ALA 82 20.858 5.890 3.191 1516 1HB ALA 82 1HB ALA 82 22.326 7.640 2.365 1517 2HB ALA 82 2HB ALA 82 20.920 7.519 1.281 1518 3HB ALA 82 3HB ALA 82 21.018 8.842 2.468 1519 H HIS 83 H HIS 83 19.052 6.521 5.404 1520 HA HIS 83 HA HIS 83 20.645 8.275 7.072 1521 1HB HIS 83 1HB HIS 83 18.005 8.107 6.842 1522 2HB HIS 83 2HB HIS 83 18.199 6.844 8.041 1523 HD1 HIS 83 HD1 HIS 83 18.289 7.594 10.433 1524 HD2 HIS 83 HD2 HIS 83 19.212 10.691 7.758 1525 HE1 HIS 83 HE1 HIS 83 18.524 9.709 11.841 1526 HE2 HIS 83 HE2 HIS 83 19.146 11.566 10.150 1527 HA PRO 84 HA PRO 84 22.641 4.960 9.011 1528 1HB PRO 84 1HB PRO 84 23.498 6.166 11.309 1529 2HB PRO 84 2HB PRO 84 24.325 6.332 9.774 1530 1HG PRO 84 1HG PRO 84 22.611 8.290 11.177 1531 2HG PRO 84 2HG PRO 84 23.768 8.567 9.891 1532 1HD PRO 84 1HD PRO 84 20.911 8.485 9.642 1533 2HD PRO 84 2HD PRO 84 22.073 8.647 8.339 1534 H ALA 85 H ALA 85 20.255 6.708 10.863 1535 HA ALA 85 HA ALA 85 19.990 4.746 12.859 1536 1HB ALA 85 1HB ALA 85 17.586 6.320 12.196 1537 2HB ALA 85 2HB ALA 85 18.522 6.246 13.708 1538 3HB ALA 85 3HB ALA 85 19.056 7.306 12.381 1539 H HIS 86 H HIS 86 18.316 5.344 9.712 1540 HA HIS 86 HA HIS 86 16.564 3.140 10.087 1541 1HB HIS 86 1HB HIS 86 15.624 4.730 8.732 1542 2HB HIS 86 2HB HIS 86 17.138 5.135 7.947 1543 HD1 HIS 86 HD1 HIS 86 18.067 3.084 6.268 1544 HD2 HIS 86 HD2 HIS 86 13.973 3.211 7.174 1545 HE1 HIS 86 HE1 HIS 86 16.895 1.701 4.473 1546 HE2 HIS 86 HE2 HIS 86 14.389 1.770 5.114 1547 H VAL 87 H VAL 87 19.737 3.711 8.542 1548 HA VAL 87 HA VAL 87 19.821 1.304 7.100 1549 HB VAL 87 HB VAL 87 21.777 3.355 8.049 1550 1HG1 VAL 87 1HG1 VAL 87 23.565 2.013 6.793 1551 2HG1 VAL 87 2HG1 VAL 87 23.123 1.454 8.425 1552 3HG1 VAL 87 3HG1 VAL 87 22.486 0.611 6.992 1553 1HG2 VAL 87 1HG2 VAL 87 21.878 3.984 5.850 1554 2HG2 VAL 87 2HG2 VAL 87 21.609 2.332 5.246 1555 3HG2 VAL 87 3HG2 VAL 87 20.242 3.285 5.870 1556 H GLU 88 H GLU 88 20.867 2.238 10.428 1557 HA GLU 88 HA GLU 88 22.101 -0.157 11.020 1558 1HB GLU 88 1HB GLU 88 21.991 2.154 12.298 1559 2HB GLU 88 2HB GLU 88 20.612 1.444 13.114 1560 1HG GLU 88 1HG GLU 88 22.582 -0.590 13.157 1561 2HG GLU 88 2HG GLU 88 23.470 0.886 13.478 1562 H PHE 89 H PHE 89 18.676 0.924 11.411 1563 HA PHE 89 HA PHE 89 17.876 -1.490 12.673 1564 1HB PHE 89 1HB PHE 89 16.883 1.014 12.512 1565 2HB PHE 89 2HB PHE 89 16.098 0.404 11.069 1566 HD1 PHE 89 HD1 PHE 89 13.965 -0.428 11.304 1567 HD2 PHE 89 HD2 PHE 89 16.589 -0.608 14.635 1568 HE1 PHE 89 HE1 PHE 89 12.114 -1.374 12.711 1569 HE2 PHE 89 HE2 PHE 89 14.738 -1.553 16.042 1570 HZ PHE 89 HZ PHE 89 12.523 -1.925 15.063 1571 H ALA 90 H ALA 90 17.726 -0.171 9.312 1572 HA ALA 90 HA ALA 90 16.191 -2.251 8.248 1573 1HB ALA 90 1HB ALA 90 17.353 -1.426 6.079 1574 2HB ALA 90 2HB ALA 90 16.359 -0.263 6.988 1575 3HB ALA 90 3HB ALA 90 18.133 -0.216 7.126 1576 H THR 91 H THR 91 19.685 -1.877 8.921 1577 HA THR 91 HA THR 91 20.485 -4.151 7.423 1578 HB THR 91 HB THR 91 21.753 -2.551 9.707 1579 HG1 THR 91 HG1 THR 91 22.797 -1.611 7.804 1580 1HG2 THR 91 1HG2 THR 91 23.905 -3.467 8.612 1581 2HG2 THR 91 2HG2 THR 91 22.994 -4.634 9.600 1582 3HG2 THR 91 3HG2 THR 91 22.873 -4.684 7.825 1583 H ILE 92 H ILE 92 19.581 -3.619 10.870 1584 HA ILE 92 HA ILE 92 20.155 -6.322 11.555 1585 HB ILE 92 HB ILE 92 18.807 -4.012 12.923 1586 1HG1 ILE 92 1HG1 ILE 92 21.218 -5.512 13.899 1587 2HG1 ILE 92 2HG1 ILE 92 21.394 -4.370 12.581 1588 1HG2 ILE 92 1HG2 ILE 92 17.604 -6.044 13.595 1589 2HG2 ILE 92 2HG2 ILE 92 19.147 -6.803 14.054 1590 3HG2 ILE 92 3HG2 ILE 92 18.566 -5.367 14.931 1591 1HD1 ILE 92 1HD1 ILE 92 21.377 -3.738 15.305 1592 2HD1 ILE 92 2HD1 ILE 92 21.180 -2.581 13.967 1593 3HD1 ILE 92 3HD1 ILE 92 19.746 -3.274 14.762 1594 H PHE 93 H PHE 93 17.304 -4.464 10.456 1595 HA PHE 93 HA PHE 93 15.383 -6.385 11.077 1596 1HB PHE 93 1HB PHE 93 15.128 -3.926 10.345 1597 2HB PHE 93 2HB PHE 93 15.568 -4.414 8.720 1598 HD1 PHE 93 HD1 PHE 93 13.623 -3.959 7.507 1599 HD2 PHE 93 HD2 PHE 93 13.341 -6.207 11.095 1600 HE1 PHE 93 HE1 PHE 93 11.215 -4.459 7.005 1601 HE2 PHE 93 HE2 PHE 93 10.933 -6.707 10.593 1602 HZ PHE 93 HZ PHE 93 9.899 -5.827 8.554 1603 H LEU 94 H LEU 94 17.436 -5.879 8.148 1604 HA LEU 94 HA LEU 94 16.200 -7.763 6.533 1605 1HB LEU 94 1HB LEU 94 17.862 -7.338 5.079 1606 2HB LEU 94 2HB LEU 94 18.067 -5.952 6.133 1607 HG LEU 94 HG LEU 94 19.780 -7.522 7.382 1608 1HD1 LEU 94 1HD1 LEU 94 20.122 -9.511 6.463 1609 2HD1 LEU 94 2HD1 LEU 94 19.069 -9.111 5.085 1610 3HD1 LEU 94 3HD1 LEU 94 20.798 -8.691 5.035 1611 1HD2 LEU 94 1HD2 LEU 94 20.940 -6.606 4.825 1612 2HD2 LEU 94 2HD2 LEU 94 20.001 -5.389 5.722 1613 3HD2 LEU 94 3HD2 LEU 94 21.377 -6.205 6.503 1614 H GLY 95 H GLY 95 18.326 -8.108 9.326 1615 1HA GLY 95 1HA GLY 95 19.279 -10.713 8.808 1616 2HA GLY 95 2HA GLY 95 19.182 -9.911 10.364 1617 H SER 96 H SER 96 16.111 -9.492 9.616 1618 HA SER 96 HA SER 96 15.276 -12.230 10.056 1619 1HB SER 96 1HB SER 96 14.870 -9.904 11.927 1620 2HB SER 96 2HB SER 96 13.572 -11.070 11.775 1621 HG SER 96 HG SER 96 16.232 -11.440 12.772 1622 H LEU 97 H LEU 97 15.117 -10.906 7.622 1623 HA LEU 97 HA LEU 97 12.289 -10.114 7.513 1624 1HB LEU 97 1HB LEU 97 13.517 -8.195 7.001 1625 2HB LEU 97 2HB LEU 97 14.702 -9.078 6.059 1626 HG LEU 97 HG LEU 97 11.932 -9.204 5.020 1627 1HD1 LEU 97 1HD1 LEU 97 11.636 -7.023 4.388 1628 2HD1 LEU 97 2HD1 LEU 97 12.416 -6.795 5.972 1629 3HD1 LEU 97 3HD1 LEU 97 13.372 -6.639 4.479 1630 1HD2 LEU 97 1HD2 LEU 97 14.347 -8.348 3.468 1631 2HD2 LEU 97 2HD2 LEU 97 14.207 -10.037 4.011 1632 3HD2 LEU 97 3HD2 LEU 97 12.952 -9.331 2.965 1633 H ASP 98 H ASP 98 10.960 -11.375 6.302 1634 HA ASP 98 HA ASP 98 12.175 -13.643 5.054 1635 1HB ASP 98 1HB ASP 98 10.213 -14.254 6.179 1636 2HB ASP 98 2HB ASP 98 9.391 -12.758 5.780 1637 H LYS 99 H LYS 99 9.915 -10.922 4.172 1638 HA LYS 99 HA LYS 99 10.857 -11.194 1.405 1639 1HB LYS 99 1HB LYS 99 8.027 -10.602 2.322 1640 2HB LYS 99 2HB LYS 99 8.585 -10.558 0.662 1641 1HG LYS 99 1HG LYS 99 9.387 -13.076 1.896 1642 2HG LYS 99 2HG LYS 99 7.668 -12.829 2.129 1643 1HD LYS 99 1HD LYS 99 8.826 -12.291 -0.608 1644 2HD LYS 99 2HD LYS 99 8.624 -13.959 -0.109 1645 1HE LYS 99 1HE LYS 99 6.181 -13.096 0.607 1646 2HE LYS 99 2HE LYS 99 6.516 -11.848 -0.577 1647 1HZ LYS 99 1HZ LYS 99 6.960 -14.652 -1.251 1648 2HZ LYS 99 2HZ LYS 99 5.460 -14.014 -1.341 1649 3HZ LYS 99 3HZ LYS 99 6.667 -13.394 -2.250 1650 H VAL 100 H VAL 100 11.086 -9.212 0.224 1651 HA VAL 100 HA VAL 100 10.676 -6.766 1.732 1652 HB VAL 100 HB VAL 100 12.841 -7.225 2.473 1653 1HG1 VAL 100 1HG1 VAL 100 13.036 -8.824 0.143 1654 2HG1 VAL 100 2HG1 VAL 100 14.362 -7.639 0.062 1655 3HG1 VAL 100 3HG1 VAL 100 14.197 -8.694 1.486 1656 1HG2 VAL 100 1HG2 VAL 100 12.446 -5.155 0.505 1657 2HG2 VAL 100 2HG2 VAL 100 13.439 -5.134 1.981 1658 3HG2 VAL 100 3HG2 VAL 100 14.131 -5.724 0.451 1659 H LEU 101 H LEU 101 9.612 -5.420 0.383 1660 HA LEU 101 HA LEU 101 10.391 -5.483 -2.439 1661 1HB LEU 101 1HB LEU 101 8.112 -6.669 -1.580 1662 2HB LEU 101 2HB LEU 101 7.530 -5.038 -1.854 1663 HG LEU 101 HG LEU 101 7.206 -6.544 -3.790 1664 1HD1 LEU 101 1HD1 LEU 101 9.160 -4.552 -4.812 1665 2HD1 LEU 101 2HD1 LEU 101 7.479 -4.875 -5.297 1666 3HD1 LEU 101 3HD1 LEU 101 7.815 -3.935 -3.823 1667 1HD2 LEU 101 1HD2 LEU 101 10.144 -6.456 -4.377 1668 2HD2 LEU 101 2HD2 LEU 101 9.499 -7.709 -3.290 1669 3HD2 LEU 101 3HD2 LEU 101 8.894 -7.581 -4.959 1670 H VAL 102 H VAL 102 10.495 -3.468 -3.431 1671 HA VAL 102 HA VAL 102 9.663 -1.201 -1.766 1672 HB VAL 102 HB VAL 102 11.734 -0.043 -2.547 1673 1HG1 VAL 102 1HG1 VAL 102 11.588 -2.262 -0.593 1674 2HG1 VAL 102 2HG1 VAL 102 13.232 -1.752 -1.046 1675 3HG1 VAL 102 3HG1 VAL 102 12.086 -0.567 -0.375 1676 1HG2 VAL 102 1HG2 VAL 102 13.236 -2.512 -3.007 1677 2HG2 VAL 102 2HG2 VAL 102 11.997 -2.218 -4.251 1678 3HG2 VAL 102 3HG2 VAL 102 13.236 -0.983 -3.919 1679 H ILE 103 H ILE 103 8.170 -0.034 -2.847 1680 HA ILE 103 HA ILE 103 8.597 0.432 -5.678 1681 HB ILE 103 HB ILE 103 6.127 -0.897 -4.567 1682 1HG1 ILE 103 1HG1 ILE 103 8.118 -2.333 -5.127 1683 2HG1 ILE 103 2HG1 ILE 103 6.639 -2.722 -5.983 1684 1HG2 ILE 103 1HG2 ILE 103 6.494 0.023 -7.418 1685 2HG2 ILE 103 2HG2 ILE 103 5.017 -0.558 -6.612 1686 3HG2 ILE 103 3HG2 ILE 103 5.700 1.029 -6.182 1687 1HD1 ILE 103 1HD1 ILE 103 7.412 -1.802 -8.023 1688 2HD1 ILE 103 2HD1 ILE 103 8.647 -0.809 -7.212 1689 3HD1 ILE 103 3HD1 ILE 103 8.868 -2.570 -7.346 1690 H ASP 104 H ASP 104 7.539 2.355 -6.435 1691 HA ASP 104 HA ASP 104 6.906 4.098 -4.217 1692 1HB ASP 104 1HB ASP 104 8.557 4.536 -6.280 1693 2HB ASP 104 2HB ASP 104 7.079 5.000 -7.099 1694 H TYR 105 H TYR 105 4.902 5.373 -4.237 1695 HA TYR 105 HA TYR 105 2.938 4.545 -6.255 1696 1HB TYR 105 1HB TYR 105 2.368 3.244 -4.300 1697 2HB TYR 105 2HB TYR 105 2.945 4.484 -3.204 1698 HD1 TYR 105 HD1 TYR 105 0.464 4.622 -6.020 1699 HD2 TYR 105 HD2 TYR 105 1.179 5.117 -1.831 1700 HE1 TYR 105 HE1 TYR 105 -1.917 5.457 -5.704 1701 HE2 TYR 105 HE2 TYR 105 -1.204 5.950 -1.529 1702 HH TYR 105 HH TYR 105 -3.448 5.518 -2.908 1703 H LYS 106 H LYS 106 1.585 6.175 -6.983 1704 HA LYS 106 HA LYS 106 1.836 8.746 -5.590 1705 1HB LYS 106 1HB LYS 106 3.018 8.213 -8.007 1706 2HB LYS 106 2HB LYS 106 1.474 8.867 -8.517 1707 1HG LYS 106 1HG LYS 106 2.408 10.497 -6.336 1708 2HG LYS 106 2HG LYS 106 3.758 10.277 -7.432 1709 1HD LYS 106 1HD LYS 106 2.725 11.418 -9.171 1710 2HD LYS 106 2HD LYS 106 1.119 10.886 -8.716 1711 1HE LYS 106 1HE LYS 106 1.613 12.429 -6.557 1712 2HE LYS 106 2HE LYS 106 2.717 13.217 -7.667 1713 1HZ LYS 106 1HZ LYS 106 -0.155 13.122 -7.723 1714 2HZ LYS 106 2HZ LYS 106 0.859 14.303 -8.216 1715 3HZ LYS 106 3HZ LYS 106 0.574 13.017 -9.181 1716 HA PRO 107 HA PRO 107 -2.494 8.161 -5.650 1717 1HB PRO 107 1HB PRO 107 -3.128 10.203 -3.948 1718 2HB PRO 107 2HB PRO 107 -2.686 8.599 -3.398 1719 1HG PRO 107 1HG PRO 107 -1.080 11.081 -3.358 1720 2HG PRO 107 2HG PRO 107 -0.837 9.601 -2.450 1721 1HD PRO 107 1HD PRO 107 0.630 10.456 -4.762 1722 2HD PRO 107 2HD PRO 107 0.793 8.926 -3.924 1723 H THR 108 H THR 108 -3.199 8.517 -7.694 1724 HA THR 108 HA THR 108 -3.832 11.336 -8.193 1725 HB THR 108 HB THR 108 -2.127 9.444 -9.842 1726 HG1 THR 108 HG1 THR 108 -0.830 11.120 -9.213 1727 1HG2 THR 108 1HG2 THR 108 -4.250 11.225 -10.874 1728 2HG2 THR 108 2HG2 THR 108 -2.631 11.701 -11.437 1729 3HG2 THR 108 3HG2 THR 108 -3.236 10.058 -11.756 1730 H SER 109 H SER 109 -5.978 11.472 -8.311 1731 HA SER 109 HA SER 109 -7.468 9.142 -8.972 1732 1HB SER 109 1HB SER 109 -9.419 10.881 -8.777 1733 2HB SER 109 2HB SER 109 -8.530 10.438 -7.334 1734 HG SER 109 HG SER 109 -7.800 12.445 -7.144 1735 H VAL 110 H VAL 110 -9.201 9.177 -10.713 1736 HA VAL 110 HA VAL 110 -8.082 10.417 -13.101 1737 HB VAL 110 HB VAL 110 -9.980 8.149 -12.552 1738 1HG1 VAL 110 1HG1 VAL 110 -10.314 7.909 -14.986 1739 2HG1 VAL 110 2HG1 VAL 110 -10.997 9.431 -14.366 1740 3HG1 VAL 110 3HG1 VAL 110 -9.451 9.443 -15.249 1741 1HG2 VAL 110 1HG2 VAL 110 -7.209 8.479 -13.610 1742 2HG2 VAL 110 2HG2 VAL 110 -7.896 7.215 -12.561 1743 3HG2 VAL 110 3HG2 VAL 110 -8.208 7.184 -14.313 1744 H SER 111 H SER 111 -9.130 11.999 -14.275 1745 HA SER 111 HA SER 111 -11.154 13.395 -12.903 1746 1HB SER 111 1HB SER 111 -10.938 14.239 -15.659 1747 2HB SER 111 2HB SER 111 -10.412 15.077 -14.213 1748 HG SER 111 HG SER 111 -8.553 14.745 -15.420 1749 H LEU 112 H LEU 112 -13.345 13.052 -13.002 1750 HA LEU 112 HA LEU 112 -14.309 11.333 -15.164 1751 1HB LEU 112 1HB LEU 112 -15.678 12.066 -12.575 1752 2HB LEU 112 2HB LEU 112 -16.180 10.851 -13.735 1753 HG LEU 112 HG LEU 112 -13.462 10.534 -12.555 1754 1HD1 LEU 112 1HD1 LEU 112 -14.547 9.333 -10.578 1755 2HD1 LEU 112 2HD1 LEU 112 -14.511 11.112 -10.537 1756 3HD1 LEU 112 3HD1 LEU 112 -16.014 10.263 -10.968 1757 1HD2 LEU 112 1HD2 LEU 112 -14.369 8.119 -12.467 1758 2HD2 LEU 112 2HD2 LEU 112 -15.698 8.740 -13.476 1759 3HD2 LEU 112 3HD2 LEU 112 -14.018 8.843 -14.055 Start of MODEL 4 1 1H GLY 1 1H GLY 1 -23.978 16.372 11.351 2 1HA GLY 1 1HA GLY 1 -22.760 17.109 9.595 3 2HA GLY 1 2HA GLY 1 -24.046 18.222 9.175 4 H SER 2 H SER 2 -21.238 17.715 11.370 5 HA SER 2 HA SER 2 -20.342 20.300 11.031 6 1HB SER 2 1HB SER 2 -22.495 20.357 12.745 7 2HB SER 2 2HB SER 2 -21.182 20.140 13.886 8 HG SER 2 HG SER 2 -21.870 22.378 12.373 9 H HIS 3 H HIS 3 -18.534 20.790 12.801 10 HA HIS 3 HA HIS 3 -16.691 18.840 12.752 11 1HB HIS 3 1HB HIS 3 -15.429 20.160 14.141 12 2HB HIS 3 2HB HIS 3 -16.602 21.318 13.546 13 HD1 HIS 3 HD1 HIS 3 -18.995 20.890 15.374 14 HD2 HIS 3 HD2 HIS 3 -15.033 20.846 16.752 15 HE1 HIS 3 HE1 HIS 3 -19.099 21.422 17.867 16 HE2 HIS 3 HE2 HIS 3 -16.641 21.326 18.669 17 H MET 4 H MET 4 -15.934 17.173 14.164 18 HA MET 4 HA MET 4 -17.128 16.593 16.587 19 1HB MET 4 1HB MET 4 -18.571 15.658 14.192 20 2HB MET 4 2HB MET 4 -18.066 14.297 15.174 21 1HG MET 4 1HG MET 4 -19.100 16.355 16.935 22 2HG MET 4 2HG MET 4 -20.258 16.101 15.645 23 1HE MET 4 1HE MET 4 -20.201 14.226 19.313 24 2HE MET 4 2HE MET 4 -20.385 15.826 18.554 25 3HE MET 4 3HE MET 4 -21.710 14.640 18.464 26 H GLU 5 H GLU 5 -16.413 14.391 17.434 27 HA GLU 5 HA GLU 5 -13.770 14.017 16.978 28 1HB GLU 5 1HB GLU 5 -14.335 11.604 17.947 29 2HB GLU 5 2HB GLU 5 -14.492 13.034 18.948 30 1HG GLU 5 1HG GLU 5 -16.931 12.515 17.370 31 2HG GLU 5 2HG GLU 5 -16.515 11.161 18.402 32 H GLU 6 H GLU 6 -12.490 12.807 15.575 33 HA GLU 6 HA GLU 6 -13.871 11.795 13.278 34 1HB GLU 6 1HB GLU 6 -11.702 11.728 12.227 35 2HB GLU 6 2HB GLU 6 -11.781 13.218 13.147 36 1HG GLU 6 1HG GLU 6 -10.745 11.587 15.069 37 2HG GLU 6 2HG GLU 6 -10.139 10.756 13.650 38 H ALA 7 H ALA 7 -14.571 9.710 13.165 39 HA ALA 7 HA ALA 7 -13.913 7.794 15.081 40 1HB ALA 7 1HB ALA 7 -15.819 7.074 14.117 41 2HB ALA 7 2HB ALA 7 -15.525 8.039 12.650 42 3HB ALA 7 3HB ALA 7 -14.801 6.421 12.811 43 H LYS 8 H LYS 8 -13.337 5.430 13.633 44 HA LYS 8 HA LYS 8 -10.524 5.939 13.044 45 1HB LYS 8 1HB LYS 8 -12.087 3.554 14.000 46 2HB LYS 8 2HB LYS 8 -10.536 3.324 13.218 47 1HG LYS 8 1HG LYS 8 -10.606 5.458 15.313 48 2HG LYS 8 2HG LYS 8 -10.840 3.823 15.901 49 1HD LYS 8 1HD LYS 8 -8.717 3.515 14.114 50 2HD LYS 8 2HD LYS 8 -8.401 5.096 14.799 51 1HE LYS 8 1HE LYS 8 -9.127 3.568 17.040 52 2HE LYS 8 2HE LYS 8 -8.209 2.435 16.067 53 1HZ LYS 8 1HZ LYS 8 -6.642 3.548 17.312 54 2HZ LYS 8 2HZ LYS 8 -6.550 4.318 15.874 55 3HZ LYS 8 3HZ LYS 8 -7.336 5.014 17.125 56 H GLY 9 H GLY 9 -12.568 6.745 11.133 57 1HA GLY 9 1HA GLY 9 -11.798 4.949 8.921 58 2HA GLY 9 2HA GLY 9 -13.464 5.447 9.135 59 HA PRO 10 HA PRO 10 -13.349 5.272 7.063 60 1HB PRO 10 1HB PRO 10 -12.684 5.417 4.416 61 2HB PRO 10 2HB PRO 10 -14.140 6.132 5.079 62 1HG PRO 10 1HG PRO 10 -11.644 7.465 4.224 63 2HG PRO 10 2HG PRO 10 -13.230 8.165 4.480 64 1HD PRO 10 1HD PRO 10 -10.970 8.349 6.236 65 2HD PRO 10 2HD PRO 10 -12.588 8.949 6.543 66 H VAL 11 H VAL 11 -12.581 3.314 5.602 67 HA VAL 11 HA VAL 11 -9.911 2.776 6.663 68 HB VAL 11 HB VAL 11 -12.305 1.149 5.934 69 1HG1 VAL 11 1HG1 VAL 11 -9.470 0.059 5.963 70 2HG1 VAL 11 2HG1 VAL 11 -10.955 -0.921 5.929 71 3HG1 VAL 11 3HG1 VAL 11 -10.558 0.142 4.557 72 1HG2 VAL 11 1HG2 VAL 11 -12.100 0.277 8.082 73 2HG2 VAL 11 2HG2 VAL 11 -10.358 0.634 8.175 74 3HG2 VAL 11 3HG2 VAL 11 -11.545 1.955 8.295 75 H LYS 12 H LYS 12 -8.180 2.190 5.329 76 HA LYS 12 HA LYS 12 -8.666 2.718 2.488 77 1HB LYS 12 1HB LYS 12 -6.291 3.121 4.295 78 2HB LYS 12 2HB LYS 12 -6.069 2.972 2.563 79 1HG LYS 12 1HG LYS 12 -8.290 4.781 3.115 80 2HG LYS 12 2HG LYS 12 -6.875 5.291 4.016 81 1HD LYS 12 1HD LYS 12 -5.513 5.268 1.936 82 2HD LYS 12 2HD LYS 12 -6.889 4.686 1.021 83 1HE LYS 12 1HE LYS 12 -6.772 7.352 2.512 84 2HE LYS 12 2HE LYS 12 -6.581 7.156 0.781 85 1HZ LYS 12 1HZ LYS 12 -8.947 7.244 2.284 86 2HZ LYS 12 2HZ LYS 12 -8.761 7.293 0.662 87 3HZ LYS 12 3HZ LYS 12 -8.896 5.856 1.426 88 H HIS 13 H HIS 13 -9.087 0.849 1.419 89 HA HIS 13 HA HIS 13 -7.846 -1.581 2.338 90 1HB HIS 13 1HB HIS 13 -9.870 -2.266 1.685 91 2HB HIS 13 2HB HIS 13 -10.156 -0.823 0.732 92 HD1 HIS 13 HD1 HIS 13 -9.812 -4.359 0.337 93 HD2 HIS 13 HD2 HIS 13 -8.576 -1.027 -1.891 94 HE1 HIS 13 HE1 HIS 13 -9.347 -5.210 -2.023 95 HE2 HIS 13 HE2 HIS 13 -8.644 -3.108 -3.359 96 H VAL 14 H VAL 14 -6.210 -2.724 1.300 97 HA VAL 14 HA VAL 14 -5.013 -1.319 -0.988 98 HB VAL 14 HB VAL 14 -3.865 -2.696 1.411 99 1HG1 VAL 14 1HG1 VAL 14 -2.886 -3.855 -0.541 100 2HG1 VAL 14 2HG1 VAL 14 -2.364 -2.285 -1.197 101 3HG1 VAL 14 3HG1 VAL 14 -1.684 -2.879 0.336 102 1HG2 VAL 14 1HG2 VAL 14 -3.985 -0.341 1.624 103 2HG2 VAL 14 2HG2 VAL 14 -2.289 -0.697 1.216 104 3HG2 VAL 14 3HG2 VAL 14 -3.395 -0.079 -0.035 105 H LEU 15 H LEU 15 -4.885 -2.417 -2.889 106 HA LEU 15 HA LEU 15 -5.095 -5.331 -2.761 107 1HB LEU 15 1HB LEU 15 -7.325 -4.665 -3.168 108 2HB LEU 15 2HB LEU 15 -6.841 -3.453 -4.337 109 HG LEU 15 HG LEU 15 -6.003 -6.165 -5.085 110 1HD1 LEU 15 1HD1 LEU 15 -8.410 -6.190 -3.830 111 2HD1 LEU 15 2HD1 LEU 15 -8.908 -5.844 -5.503 112 3HD1 LEU 15 3HD1 LEU 15 -7.944 -7.297 -5.143 113 1HD2 LEU 15 1HD2 LEU 15 -7.434 -3.865 -6.417 114 2HD2 LEU 15 2HD2 LEU 15 -5.787 -4.476 -6.707 115 3HD2 LEU 15 3HD2 LEU 15 -7.197 -5.437 -7.217 116 H LEU 16 H LEU 16 -3.728 -6.391 -4.158 117 HA LEU 16 HA LEU 16 -2.309 -4.677 -6.076 118 1HB LEU 16 1HB LEU 16 -0.988 -6.988 -4.699 119 2HB LEU 16 2HB LEU 16 -0.262 -5.628 -5.532 120 HG LEU 16 HG LEU 16 -1.252 -4.182 -3.624 121 1HD1 LEU 16 1HD1 LEU 16 -2.627 -5.344 -2.279 122 2HD1 LEU 16 2HD1 LEU 16 -1.894 -6.910 -2.699 123 3HD1 LEU 16 3HD1 LEU 16 -1.117 -5.860 -1.490 124 1HD2 LEU 16 1HD2 LEU 16 0.717 -4.673 -2.177 125 2HD2 LEU 16 2HD2 LEU 16 1.052 -6.099 -3.189 126 3HD2 LEU 16 3HD2 LEU 16 1.114 -4.468 -3.900 127 H ALA 17 H ALA 17 -2.325 -5.385 -8.157 128 HA ALA 17 HA ALA 17 -3.048 -8.198 -8.582 129 1HB ALA 17 1HB ALA 17 -5.042 -6.751 -8.878 130 2HB ALA 17 2HB ALA 17 -4.151 -5.785 -10.078 131 3HB ALA 17 3HB ALA 17 -4.528 -7.492 -10.412 132 H SER 18 H SER 18 -2.013 -9.197 -10.349 133 HA SER 18 HA SER 18 -0.085 -7.483 -11.707 134 1HB SER 18 1HB SER 18 0.335 -10.274 -10.562 135 2HB SER 18 2HB SER 18 1.433 -9.555 -11.723 136 HG SER 18 HG SER 18 1.386 -9.203 -9.049 137 H PHE 19 H PHE 19 0.163 -7.865 -13.951 138 HA PHE 19 HA PHE 19 -1.901 -9.555 -15.087 139 1HB PHE 19 1HB PHE 19 0.173 -7.603 -16.257 140 2HB PHE 19 2HB PHE 19 -1.125 -8.329 -17.186 141 HD1 PHE 19 HD1 PHE 19 -3.441 -8.063 -15.444 142 HD2 PHE 19 HD2 PHE 19 -0.263 -5.337 -16.132 143 HE1 PHE 19 HE1 PHE 19 -4.949 -6.152 -14.832 144 HE2 PHE 19 HE2 PHE 19 -1.771 -3.425 -15.520 145 HZ PHE 19 HZ PHE 19 -4.096 -3.856 -14.878 146 H LYS 20 H LYS 20 -1.447 -11.644 -15.582 147 HA LYS 20 HA LYS 20 1.107 -12.714 -15.530 148 1HB LYS 20 1HB LYS 20 0.072 -14.710 -16.484 149 2HB LYS 20 2HB LYS 20 -0.919 -14.030 -15.209 150 1HG LYS 20 1HG LYS 20 -2.386 -12.939 -16.883 151 2HG LYS 20 2HG LYS 20 -1.362 -13.508 -18.187 152 1HD LYS 20 1HD LYS 20 -2.767 -15.377 -16.223 153 2HD LYS 20 2HD LYS 20 -3.455 -14.909 -17.765 154 1HE LYS 20 1HE LYS 20 -0.650 -15.899 -17.932 155 2HE LYS 20 2HE LYS 20 -1.802 -17.096 -17.375 156 1HZ LYS 20 1HZ LYS 20 -2.671 -17.223 -19.388 157 2HZ LYS 20 2HZ LYS 20 -2.792 -15.604 -19.569 158 3HZ LYS 20 3HZ LYS 20 -1.395 -16.365 -19.940 159 H ASP 21 H ASP 21 2.254 -13.804 -17.414 160 HA ASP 21 HA ASP 21 2.672 -11.798 -19.374 161 1HB ASP 21 1HB ASP 21 4.359 -13.496 -20.260 162 2HB ASP 21 2HB ASP 21 4.611 -12.987 -18.602 163 H GLY 22 H GLY 22 2.134 -11.947 -21.632 164 1HA GLY 22 1HA GLY 22 1.516 -13.246 -23.528 165 2HA GLY 22 2HA GLY 22 0.661 -14.360 -22.479 166 H VAL 23 H VAL 23 0.068 -11.336 -21.169 167 HA VAL 23 HA VAL 23 -2.555 -11.278 -22.392 168 HB VAL 23 HB VAL 23 -1.246 -9.948 -20.030 169 1HG1 VAL 23 1HG1 VAL 23 -2.607 -8.188 -20.219 170 2HG1 VAL 23 2HG1 VAL 23 -3.437 -8.907 -21.619 171 3HG1 VAL 23 3HG1 VAL 23 -3.978 -9.294 -19.969 172 1HG2 VAL 23 1HG2 VAL 23 -2.381 -11.432 -18.761 173 2HG2 VAL 23 2HG2 VAL 23 -3.839 -11.349 -19.779 174 3HG2 VAL 23 3HG2 VAL 23 -2.469 -12.376 -20.268 175 H SER 24 H SER 24 -3.211 -9.842 -23.931 176 HA SER 24 HA SER 24 -1.382 -8.432 -25.369 177 1HB SER 24 1HB SER 24 -4.232 -7.450 -25.203 178 2HB SER 24 2HB SER 24 -3.208 -7.623 -26.614 179 HG SER 24 HG SER 24 -5.005 -9.396 -25.603 180 HA PRO 25 HA PRO 25 -0.789 -4.761 -23.107 181 1HB PRO 25 1HB PRO 25 0.076 -3.057 -25.061 182 2HB PRO 25 2HB PRO 25 1.114 -4.243 -24.295 183 1HG PRO 25 1HG PRO 25 -0.096 -4.306 -26.991 184 2HG PRO 25 2HG PRO 25 1.253 -5.236 -26.371 185 1HD PRO 25 1HD PRO 25 -1.431 -6.164 -26.772 186 2HD PRO 25 2HD PRO 25 -0.111 -7.058 -26.045 187 H GLU 26 H GLU 26 -2.702 -4.453 -26.022 188 HA GLU 26 HA GLU 26 -3.798 -1.999 -25.308 189 1HB GLU 26 1HB GLU 26 -5.382 -2.398 -27.101 190 2HB GLU 26 2HB GLU 26 -3.824 -3.020 -27.607 191 1HG GLU 26 1HG GLU 26 -4.538 -5.326 -26.870 192 2HG GLU 26 2HG GLU 26 -6.114 -4.682 -26.454 193 H LYS 27 H LYS 27 -4.573 -5.365 -24.446 194 HA LYS 27 HA LYS 27 -7.167 -4.863 -23.476 195 1HB LYS 27 1HB LYS 27 -6.215 -7.090 -24.130 196 2HB LYS 27 2HB LYS 27 -5.242 -7.063 -22.674 197 1HG LYS 27 1HG LYS 27 -7.037 -7.492 -21.297 198 2HG LYS 27 2HG LYS 27 -8.126 -6.477 -22.221 199 1HD LYS 27 1HD LYS 27 -8.186 -8.271 -24.018 200 2HD LYS 27 2HD LYS 27 -7.215 -9.293 -22.977 201 1HE LYS 27 1HE LYS 27 -9.193 -8.614 -21.214 202 2HE LYS 27 2HE LYS 27 -10.095 -8.498 -22.712 203 1HZ LYS 27 1HZ LYS 27 -9.882 -10.742 -21.522 204 2HZ LYS 27 2HZ LYS 27 -9.772 -10.700 -23.150 205 3HZ LYS 27 3HZ LYS 27 -8.420 -10.833 -22.244 206 H ILE 28 H ILE 28 -3.884 -4.561 -22.104 207 HA ILE 28 HA ILE 28 -4.645 -4.349 -19.427 208 HB ILE 28 HB ILE 28 -2.278 -3.368 -21.003 209 1HG1 ILE 28 1HG1 ILE 28 -2.563 -5.586 -18.956 210 2HG1 ILE 28 2HG1 ILE 28 -2.599 -5.818 -20.692 211 1HG2 ILE 28 1HG2 ILE 28 -3.011 -2.824 -18.161 212 2HG2 ILE 28 2HG2 ILE 28 -1.313 -3.197 -18.542 213 3HG2 ILE 28 3HG2 ILE 28 -2.121 -1.822 -19.332 214 1HD1 ILE 28 1HD1 ILE 28 -0.340 -5.867 -20.743 215 2HD1 ILE 28 2HD1 ILE 28 -0.283 -4.217 -20.077 216 3HD1 ILE 28 3HD1 ILE 28 -0.303 -5.619 -18.981 217 H GLU 29 H GLU 29 -4.209 -1.855 -22.015 218 HA GLU 29 HA GLU 29 -4.819 0.276 -20.328 219 1HB GLU 29 1HB GLU 29 -4.553 -0.168 -23.274 220 2HB GLU 29 2HB GLU 29 -5.479 1.240 -22.794 221 1HG GLU 29 1HG GLU 29 -3.083 1.814 -23.058 222 2HG GLU 29 2HG GLU 29 -3.599 2.047 -21.399 223 H GLU 30 H GLU 30 -6.808 -1.791 -22.514 224 HA GLU 30 HA GLU 30 -9.125 -0.343 -22.391 225 1HB GLU 30 1HB GLU 30 -8.483 -3.264 -22.804 226 2HB GLU 30 2HB GLU 30 -10.162 -2.785 -22.651 227 1HG GLU 30 1HG GLU 30 -9.746 -1.042 -24.474 228 2HG GLU 30 2HG GLU 30 -8.152 -1.736 -24.696 229 H LEU 31 H LEU 31 -7.718 -2.689 -20.072 230 HA LEU 31 HA LEU 31 -10.060 -2.785 -18.453 231 1HB LEU 31 1HB LEU 31 -7.397 -3.984 -18.526 232 2HB LEU 31 2HB LEU 31 -7.930 -3.611 -16.899 233 HG LEU 31 HG LEU 31 -9.961 -4.966 -18.557 234 1HD1 LEU 31 1HD1 LEU 31 -7.238 -6.099 -18.250 235 2HD1 LEU 31 2HD1 LEU 31 -8.598 -7.189 -17.888 236 3HD1 LEU 31 3HD1 LEU 31 -8.485 -6.404 -19.482 237 1HD2 LEU 31 1HD2 LEU 31 -10.604 -4.812 -16.362 238 2HD2 LEU 31 2HD2 LEU 31 -9.860 -6.429 -16.370 239 3HD2 LEU 31 3HD2 LEU 31 -8.951 -5.034 -15.741 240 H ILE 32 H ILE 32 -6.832 -1.149 -18.216 241 HA ILE 32 HA ILE 32 -7.330 0.139 -15.814 242 HB ILE 32 HB ILE 32 -5.563 0.804 -18.161 243 1HG1 ILE 32 1HG1 ILE 32 -5.035 -0.456 -15.455 244 2HG1 ILE 32 2HG1 ILE 32 -5.012 -1.266 -17.009 245 1HG2 ILE 32 1HG2 ILE 32 -4.458 2.472 -16.867 246 2HG2 ILE 32 2HG2 ILE 32 -6.197 2.854 -16.854 247 3HG2 ILE 32 3HG2 ILE 32 -5.441 2.101 -15.430 248 1HD1 ILE 32 1HD1 ILE 32 -2.715 -0.727 -16.320 249 2HD1 ILE 32 2HD1 ILE 32 -3.147 0.237 -17.753 250 3HD1 ILE 32 3HD1 ILE 32 -3.148 0.991 -16.141 251 H LYS 33 H LYS 33 -7.813 1.309 -19.217 252 HA LYS 33 HA LYS 33 -8.935 3.755 -18.429 253 1HB LYS 33 1HB LYS 33 -8.938 4.182 -20.632 254 2HB LYS 33 2HB LYS 33 -8.022 2.695 -20.762 255 1HG LYS 33 1HG LYS 33 -10.172 1.423 -21.082 256 2HG LYS 33 2HG LYS 33 -11.059 2.932 -21.007 257 1HD LYS 33 1HD LYS 33 -10.125 3.731 -23.055 258 2HD LYS 33 2HD LYS 33 -8.795 2.591 -23.002 259 1HE LYS 33 1HE LYS 33 -10.136 0.775 -23.700 260 2HE LYS 33 2HE LYS 33 -11.620 1.515 -23.134 261 1HZ LYS 33 1HZ LYS 33 -10.425 1.719 -25.654 262 2HZ LYS 33 2HZ LYS 33 -11.892 2.252 -25.174 263 3HZ LYS 33 3HZ LYS 33 -10.583 3.215 -25.018 264 H GLY 34 H GLY 34 -10.224 0.468 -18.785 265 1HA GLY 34 1HA GLY 34 -12.969 1.187 -18.889 266 2HA GLY 34 2HA GLY 34 -12.292 -0.381 -18.497 267 H TYR 35 H TYR 35 -10.762 0.082 -16.217 268 HA TYR 35 HA TYR 35 -12.501 -0.104 -14.170 269 1HB TYR 35 1HB TYR 35 -9.664 0.557 -14.693 270 2HB TYR 35 2HB TYR 35 -10.217 1.394 -13.257 271 HD1 TYR 35 HD1 TYR 35 -9.555 -1.901 -14.758 272 HD2 TYR 35 HD2 TYR 35 -10.810 0.171 -11.231 273 HE1 TYR 35 HE1 TYR 35 -9.219 -4.016 -13.387 274 HE2 TYR 35 HE2 TYR 35 -10.470 -1.951 -9.873 275 HH TYR 35 HH TYR 35 -9.849 -4.996 -11.412 276 H ALA 36 H ALA 36 -10.817 2.968 -15.156 277 HA ALA 36 HA ALA 36 -12.077 4.592 -13.302 278 1HB ALA 36 1HB ALA 36 -11.579 5.974 -15.800 279 2HB ALA 36 2HB ALA 36 -10.687 6.072 -14.263 280 3HB ALA 36 3HB ALA 36 -10.259 4.828 -15.463 281 H ASN 37 H ASN 37 -13.162 3.299 -16.445 282 HA ASN 37 HA ASN 37 -15.309 5.075 -16.712 283 1HB ASN 37 1HB ASN 37 -14.112 3.151 -18.310 284 2HB ASN 37 2HB ASN 37 -15.597 2.331 -17.870 285 1HD2 ASN 37 1HD2 ASN 37 -15.903 2.537 -20.225 286 2HD2 ASN 37 2HD2 ASN 37 -16.685 3.950 -20.851 287 H LEU 38 H LEU 38 -14.725 1.962 -15.062 288 HA LEU 38 HA LEU 38 -17.454 1.313 -14.659 289 1HB LEU 38 1HB LEU 38 -15.338 -0.171 -14.632 290 2HB LEU 38 2HB LEU 38 -15.162 0.355 -12.969 291 HG LEU 38 HG LEU 38 -17.652 -0.457 -12.736 292 1HD1 LEU 38 1HD1 LEU 38 -17.897 -2.572 -14.208 293 2HD1 LEU 38 2HD1 LEU 38 -18.302 -0.984 -14.902 294 3HD1 LEU 38 3HD1 LEU 38 -16.746 -1.756 -15.294 295 1HD2 LEU 38 1HD2 LEU 38 -16.199 -2.911 -12.824 296 2HD2 LEU 38 2HD2 LEU 38 -15.100 -1.624 -12.273 297 3HD2 LEU 38 3HD2 LEU 38 -16.632 -1.913 -11.415 298 H VAL 39 H VAL 39 -15.030 3.304 -12.975 299 HA VAL 39 HA VAL 39 -16.428 3.489 -10.539 300 HB VAL 39 HB VAL 39 -14.449 5.372 -11.838 301 1HG1 VAL 39 1HG1 VAL 39 -14.400 6.602 -9.953 302 2HG1 VAL 39 2HG1 VAL 39 -15.994 5.881 -9.627 303 3HG1 VAL 39 3HG1 VAL 39 -14.531 5.174 -8.899 304 1HG2 VAL 39 1HG2 VAL 39 -13.801 2.893 -11.476 305 2HG2 VAL 39 2HG2 VAL 39 -12.708 4.154 -10.856 306 3HG2 VAL 39 3HG2 VAL 39 -13.803 3.299 -9.743 307 H ASN 40 H ASN 40 -16.694 5.108 -13.693 308 HA ASN 40 HA ASN 40 -18.162 7.292 -12.767 309 1HB ASN 40 1HB ASN 40 -17.161 7.439 -14.961 310 2HB ASN 40 2HB ASN 40 -17.872 5.923 -15.477 311 1HD2 ASN 40 1HD2 ASN 40 -19.459 8.491 -13.650 312 2HD2 ASN 40 2HD2 ASN 40 -20.624 8.946 -14.848 313 H LEU 41 H LEU 41 -18.885 3.909 -13.506 314 HA LEU 41 HA LEU 41 -21.733 4.387 -13.709 315 1HB LEU 41 1HB LEU 41 -19.956 1.975 -13.965 316 2HB LEU 41 2HB LEU 41 -21.696 1.816 -13.840 317 HG LEU 41 HG LEU 41 -20.644 3.693 -15.908 318 1HD1 LEU 41 1HD1 LEU 41 -20.764 1.259 -17.251 319 2HD1 LEU 41 2HD1 LEU 41 -19.301 2.195 -16.858 320 3HD1 LEU 41 3HD1 LEU 41 -19.848 0.899 -15.767 321 1HD2 LEU 41 1HD2 LEU 41 -23.056 2.019 -15.433 322 2HD2 LEU 41 2HD2 LEU 41 -22.906 3.672 -16.077 323 3HD2 LEU 41 3HD2 LEU 41 -22.559 2.274 -17.123 324 H ILE 42 H ILE 42 -19.575 2.329 -11.622 325 HA ILE 42 HA ILE 42 -21.390 1.648 -9.735 326 HB ILE 42 HB ILE 42 -18.475 2.348 -9.383 327 1HG1 ILE 42 1HG1 ILE 42 -18.714 0.653 -11.046 328 2HG1 ILE 42 2HG1 ILE 42 -18.176 -0.122 -9.570 329 1HG2 ILE 42 1HG2 ILE 42 -18.502 1.046 -7.358 330 2HG2 ILE 42 2HG2 ILE 42 -19.723 2.336 -7.236 331 3HG2 ILE 42 3HG2 ILE 42 -20.227 0.663 -7.576 332 1HD1 ILE 42 1HD1 ILE 42 -19.903 -1.563 -10.128 333 2HD1 ILE 42 2HD1 ILE 42 -20.829 -0.383 -9.169 334 3HD1 ILE 42 3HD1 ILE 42 -20.841 -0.290 -10.946 335 H GLU 43 H GLU 43 -22.853 2.856 -8.661 336 HA GLU 43 HA GLU 43 -22.461 5.623 -8.351 337 1HB GLU 43 1HB GLU 43 -24.639 3.917 -8.342 338 2HB GLU 43 2HB GLU 43 -24.516 4.325 -6.642 339 1HG GLU 43 1HG GLU 43 -24.116 6.771 -8.063 340 2HG GLU 43 2HG GLU 43 -25.460 5.971 -8.854 341 HA PRO 44 HA PRO 44 -21.711 4.352 -3.839 342 1HB PRO 44 1HB PRO 44 -21.327 1.719 -3.213 343 2HB PRO 44 2HB PRO 44 -22.875 2.526 -3.057 344 1HG PRO 44 1HG PRO 44 -21.987 0.601 -5.117 345 2HG PRO 44 2HG PRO 44 -23.618 1.083 -4.696 346 1HD PRO 44 1HD PRO 44 -22.111 1.945 -6.979 347 2HD PRO 44 2HD PRO 44 -23.696 2.514 -6.494 348 H MET 45 H MET 45 -19.892 5.494 -4.956 349 HA MET 45 HA MET 45 -17.539 4.235 -4.033 350 1HB MET 45 1HB MET 45 -18.073 3.206 -6.391 351 2HB MET 45 2HB MET 45 -17.675 4.785 -7.039 352 1HG MET 45 1HG MET 45 -15.431 4.448 -6.770 353 2HG MET 45 2HG MET 45 -15.630 3.857 -5.133 354 1HE MET 45 1HE MET 45 -13.811 2.080 -8.112 355 2HE MET 45 2HE MET 45 -13.572 3.045 -6.635 356 3HE MET 45 3HE MET 45 -13.517 1.267 -6.555 357 H LYS 46 H LYS 46 -16.975 6.079 -2.891 358 HA LYS 46 HA LYS 46 -17.461 8.663 -3.589 359 1HB LYS 46 1HB LYS 46 -15.722 7.236 -1.726 360 2HB LYS 46 2HB LYS 46 -15.014 8.749 -2.256 361 1HG LYS 46 1HG LYS 46 -16.325 9.676 -0.622 362 2HG LYS 46 2HG LYS 46 -17.598 9.565 -1.822 363 1HD LYS 46 1HD LYS 46 -18.737 8.086 -0.538 364 2HD LYS 46 2HD LYS 46 -17.369 6.991 -0.528 365 1HE LYS 46 1HE LYS 46 -17.315 7.416 1.721 366 2HE LYS 46 2HE LYS 46 -16.488 8.891 1.259 367 1HZ LYS 46 1HZ LYS 46 -19.301 8.533 1.937 368 2HZ LYS 46 2HZ LYS 46 -18.234 9.620 2.526 369 3HZ LYS 46 3HZ LYS 46 -18.843 9.805 1.022 370 H ALA 47 H ALA 47 -14.242 7.031 -4.050 371 HA ALA 47 HA ALA 47 -14.054 8.066 -6.709 372 1HB ALA 47 1HB ALA 47 -12.928 9.968 -6.311 373 2HB ALA 47 2HB ALA 47 -13.191 9.731 -4.567 374 3HB ALA 47 3HB ALA 47 -11.725 9.084 -5.341 375 H PHE 48 H PHE 48 -12.254 7.114 -7.857 376 HA PHE 48 HA PHE 48 -11.199 4.792 -6.421 377 1HB PHE 48 1HB PHE 48 -12.583 4.474 -8.515 378 2HB PHE 48 2HB PHE 48 -11.497 5.532 -9.394 379 HD1 PHE 48 HD1 PHE 48 -9.718 4.617 -10.571 380 HD2 PHE 48 HD2 PHE 48 -11.496 2.347 -7.458 381 HE1 PHE 48 HE1 PHE 48 -8.305 2.641 -11.205 382 HE2 PHE 48 HE2 PHE 48 -10.083 0.372 -8.092 383 HZ PHE 48 HZ PHE 48 -8.505 0.542 -9.958 384 H HIS 49 H HIS 49 -9.118 4.916 -5.737 385 HA HIS 49 HA HIS 49 -7.358 6.711 -7.237 386 1HB HIS 49 1HB HIS 49 -7.860 6.338 -4.411 387 2HB HIS 49 2HB HIS 49 -6.170 6.041 -4.767 388 HD1 HIS 49 HD1 HIS 49 -7.800 8.640 -3.390 389 HD2 HIS 49 HD2 HIS 49 -5.662 8.424 -6.993 390 HE1 HIS 49 HE1 HIS 49 -7.103 11.029 -3.952 391 HE2 HIS 49 HE2 HIS 49 -5.746 10.826 -6.146 392 H TRP 50 H TRP 50 -5.598 5.871 -8.282 393 HA TRP 50 HA TRP 50 -4.631 3.254 -7.479 394 1HB TRP 50 1HB TRP 50 -5.273 2.079 -9.253 395 2HB TRP 50 2HB TRP 50 -6.522 3.297 -9.414 396 HD1 TRP 50 HD1 TRP 50 -5.938 5.332 -11.285 397 HE1 TRP 50 HE1 TRP 50 -4.632 5.284 -13.578 398 HE3 TRP 50 HE3 TRP 50 -3.439 0.999 -10.372 399 HZ2 TRP 50 HZ2 TRP 50 -2.743 3.479 -14.726 400 HZ3 TRP 50 HZ3 TRP 50 -1.883 0.163 -12.131 401 HH2 TRP 50 HH2 TRP 50 -1.517 1.328 -14.248 402 H GLY 51 H GLY 51 -2.581 2.775 -8.941 403 1HA GLY 51 1HA GLY 51 -1.300 4.947 -10.232 404 2HA GLY 51 2HA GLY 51 -0.744 4.826 -8.575 405 H LYS 52 H LYS 52 1.200 4.418 -10.376 406 HA LYS 52 HA LYS 52 1.409 1.498 -10.612 407 1HB LYS 52 1HB LYS 52 2.495 1.724 -12.610 408 2HB LYS 52 2HB LYS 52 1.434 3.115 -12.692 409 1HG LYS 52 1HG LYS 52 3.225 4.610 -11.933 410 2HG LYS 52 2HG LYS 52 4.284 3.252 -11.607 411 1HD LYS 52 1HD LYS 52 3.166 3.834 -14.385 412 2HD LYS 52 2HD LYS 52 4.688 4.496 -13.823 413 1HE LYS 52 1HE LYS 52 4.201 1.511 -13.620 414 2HE LYS 52 2HE LYS 52 4.653 2.205 -15.164 415 1HZ LYS 52 1HZ LYS 52 6.308 3.252 -13.184 416 2HZ LYS 52 2HZ LYS 52 6.302 1.626 -13.035 417 3HZ LYS 52 3HZ LYS 52 6.717 2.315 -14.457 418 H ASP 53 H ASP 53 3.464 0.513 -10.070 419 HA ASP 53 HA ASP 53 4.617 1.826 -7.829 420 1HB ASP 53 1HB ASP 53 5.165 -0.824 -9.234 421 2HB ASP 53 2HB ASP 53 6.092 -0.299 -7.843 422 H VAL 54 H VAL 54 6.748 2.724 -7.731 423 HA VAL 54 HA VAL 54 8.070 2.987 -10.331 424 HB VAL 54 HB VAL 54 9.250 4.878 -9.151 425 1HG1 VAL 54 1HG1 VAL 54 6.227 5.116 -9.332 426 2HG1 VAL 54 2HG1 VAL 54 7.416 6.435 -9.460 427 3HG1 VAL 54 3HG1 VAL 54 7.341 5.179 -10.719 428 1HG2 VAL 54 1HG2 VAL 54 8.741 4.046 -6.835 429 2HG2 VAL 54 2HG2 VAL 54 8.358 5.763 -7.105 430 3HG2 VAL 54 3HG2 VAL 54 7.053 4.553 -7.084 431 H SER 55 H SER 55 9.790 1.698 -10.708 432 HA SER 55 HA SER 55 11.763 1.391 -8.719 433 1HB SER 55 1HB SER 55 9.681 -0.622 -8.851 434 2HB SER 55 2HB SER 55 11.195 -1.341 -9.362 435 HG SER 55 HG SER 55 12.074 -1.052 -7.380 436 H ILE 56 H ILE 56 13.069 -0.927 -9.779 437 HA ILE 56 HA ILE 56 13.476 -0.081 -12.564 438 HB ILE 56 HB ILE 56 15.599 -1.354 -10.872 439 1HG1 ILE 56 1HG1 ILE 56 16.158 1.374 -10.874 440 2HG1 ILE 56 2HG1 ILE 56 14.448 1.307 -10.498 441 1HG2 ILE 56 1HG2 ILE 56 16.966 0.191 -12.469 442 2HG2 ILE 56 2HG2 ILE 56 16.291 -1.341 -13.074 443 3HG2 ILE 56 3HG2 ILE 56 15.473 0.198 -13.439 444 1HD1 ILE 56 1HD1 ILE 56 16.720 -0.092 -9.029 445 2HD1 ILE 56 2HD1 ILE 56 15.610 1.148 -8.396 446 3HD1 ILE 56 3HD1 ILE 56 15.007 -0.489 -8.752 447 H GLU 57 H GLU 57 11.750 -2.228 -11.005 448 HA GLU 57 HA GLU 57 11.021 -4.232 -11.409 449 1HB GLU 57 1HB GLU 57 12.428 -3.662 -14.015 450 2HB GLU 57 2HB GLU 57 11.818 -5.280 -13.735 451 1HG GLU 57 1HG GLU 57 9.684 -4.620 -14.137 452 2HG GLU 57 2HG GLU 57 9.796 -3.346 -12.938 453 H ASN 58 H ASN 58 11.834 -6.661 -12.021 454 HA ASN 58 HA ASN 58 13.276 -8.286 -11.742 455 1HB ASN 58 1HB ASN 58 15.060 -6.312 -12.375 456 2HB ASN 58 2HB ASN 58 15.545 -6.591 -10.714 457 1HD2 ASN 58 1HD2 ASN 58 16.080 -7.445 -13.825 458 2HD2 ASN 58 2HD2 ASN 58 16.779 -9.019 -13.637 459 H LEU 59 H LEU 59 14.170 -5.628 -9.398 460 HA LEU 59 HA LEU 59 14.483 -7.329 -7.206 461 1HB LEU 59 1HB LEU 59 13.771 -4.396 -7.190 462 2HB LEU 59 2HB LEU 59 14.515 -5.309 -5.892 463 HG LEU 59 HG LEU 59 15.905 -5.159 -8.548 464 1HD1 LEU 59 1HD1 LEU 59 16.251 -2.971 -8.493 465 2HD1 LEU 59 2HD1 LEU 59 15.140 -2.843 -7.108 466 3HD1 LEU 59 3HD1 LEU 59 16.882 -3.081 -6.833 467 1HD2 LEU 59 1HD2 LEU 59 17.763 -5.808 -7.416 468 2HD2 LEU 59 2HD2 LEU 59 17.300 -4.949 -5.927 469 3HD2 LEU 59 3HD2 LEU 59 16.537 -6.506 -6.330 470 H HIS 60 H HIS 60 11.702 -5.216 -8.198 471 HA HIS 60 HA HIS 60 10.017 -5.766 -6.155 472 1HB HIS 60 1HB HIS 60 8.230 -5.128 -7.605 473 2HB HIS 60 2HB HIS 60 9.636 -4.164 -8.010 474 HD1 HIS 60 HD1 HIS 60 7.117 -4.976 -9.911 475 HD2 HIS 60 HD2 HIS 60 11.014 -6.521 -10.040 476 HE1 HIS 60 HE1 HIS 60 7.448 -5.884 -12.273 477 HE2 HIS 60 HE2 HIS 60 9.879 -6.771 -12.307 478 H GLN 61 H GLN 61 8.306 -7.316 -5.781 479 HA GLN 61 HA GLN 61 9.127 -9.926 -6.533 480 1HB GLN 61 1HB GLN 61 7.517 -8.714 -4.474 481 2HB GLN 61 2HB GLN 61 6.546 -9.945 -5.256 482 1HG GLN 61 1HG GLN 61 7.937 -10.803 -3.318 483 2HG GLN 61 2HG GLN 61 8.201 -11.663 -4.823 484 1HE2 GLN 61 1HE2 GLN 61 9.472 -9.341 -2.549 485 2HE2 GLN 61 2HE2 GLN 61 11.124 -9.358 -3.070 486 H GLY 62 H GLY 62 7.459 -7.574 -8.187 487 1HA GLY 62 1HA GLY 62 6.517 -7.892 -10.279 488 2HA GLY 62 2HA GLY 62 6.166 -9.564 -9.891 489 H TYR 63 H TYR 63 5.430 -6.728 -7.797 490 HA TYR 63 HA TYR 63 2.727 -7.586 -7.529 491 1HB TYR 63 1HB TYR 63 4.503 -5.225 -6.714 492 2HB TYR 63 2HB TYR 63 2.789 -5.176 -6.353 493 HD1 TYR 63 HD1 TYR 63 1.812 -7.159 -4.978 494 HD2 TYR 63 HD2 TYR 63 5.992 -6.284 -5.240 495 HE1 TYR 63 HE1 TYR 63 2.230 -8.482 -2.848 496 HE2 TYR 63 HE2 TYR 63 6.396 -7.610 -3.109 497 HH TYR 63 HH TYR 63 5.435 -9.262 -1.811 498 H THR 64 H THR 64 4.479 -5.363 -9.639 499 HA THR 64 HA THR 64 3.789 -4.213 -11.421 500 HB THR 64 HB THR 64 0.920 -5.104 -10.956 501 HG1 THR 64 HG1 THR 64 1.853 -7.119 -10.878 502 1HG2 THR 64 1HG2 THR 64 2.276 -3.858 -13.098 503 2HG2 THR 64 2HG2 THR 64 2.209 -5.575 -13.562 504 3HG2 THR 64 3HG2 THR 64 0.707 -4.692 -13.199 505 H HIS 65 H HIS 65 1.190 -4.039 -8.893 506 HA HIS 65 HA HIS 65 1.844 -1.491 -8.092 507 1HB HIS 65 1HB HIS 65 -0.396 -0.508 -9.263 508 2HB HIS 65 2HB HIS 65 1.234 -0.248 -9.851 509 HD1 HIS 65 HD1 HIS 65 1.891 -1.316 -12.091 510 HD2 HIS 65 HD2 HIS 65 -1.904 -2.479 -10.734 511 HE1 HIS 65 HE1 HIS 65 0.783 -2.544 -14.034 512 HE2 HIS 65 HE2 HIS 65 -1.524 -3.282 -13.123 513 H ILE 66 H ILE 66 -0.586 -0.416 -7.307 514 HA ILE 66 HA ILE 66 -2.135 -2.621 -6.214 515 HB ILE 66 HB ILE 66 -1.927 -1.924 -3.962 516 1HG1 ILE 66 1HG1 ILE 66 -0.255 -0.059 -3.383 517 2HG1 ILE 66 2HG1 ILE 66 -0.390 0.433 -5.060 518 1HG2 ILE 66 1HG2 ILE 66 0.925 -1.867 -4.921 519 2HG2 ILE 66 2HG2 ILE 66 0.230 -2.649 -3.481 520 3HG2 ILE 66 3HG2 ILE 66 -0.080 -3.326 -5.097 521 1HD1 ILE 66 1HD1 ILE 66 -2.358 1.468 -4.644 522 2HD1 ILE 66 2HD1 ILE 66 -3.052 -0.041 -4.002 523 3HD1 ILE 66 3HD1 ILE 66 -2.164 1.060 -2.922 524 H PHE 67 H PHE 67 -4.289 -2.018 -5.643 525 HA PHE 67 HA PHE 67 -4.985 0.694 -6.531 526 1HB PHE 67 1HB PHE 67 -6.554 -1.946 -6.748 527 2HB PHE 67 2HB PHE 67 -7.088 -0.404 -7.387 528 HD1 PHE 67 HD1 PHE 67 -4.547 -3.062 -7.769 529 HD2 PHE 67 HD2 PHE 67 -6.363 0.355 -9.512 530 HE1 PHE 67 HE1 PHE 67 -3.417 -3.574 -9.950 531 HE2 PHE 67 HE2 PHE 67 -5.232 -0.157 -11.693 532 HZ PHE 67 HZ PHE 67 -3.773 -2.115 -11.887 533 H GLU 68 H GLU 68 -6.305 1.889 -5.188 534 HA GLU 68 HA GLU 68 -7.379 0.434 -2.899 535 1HB GLU 68 1HB GLU 68 -5.438 1.791 -2.209 536 2HB GLU 68 2HB GLU 68 -6.141 3.221 -2.939 537 1HG GLU 68 1HG GLU 68 -7.862 1.771 -0.955 538 2HG GLU 68 2HG GLU 68 -6.450 2.580 -0.304 539 H SER 69 H SER 69 -9.531 0.843 -2.369 540 HA SER 69 HA SER 69 -10.817 2.847 -4.054 541 1HB SER 69 1HB SER 69 -11.733 0.809 -4.777 542 2HB SER 69 2HB SER 69 -11.661 0.085 -3.183 543 HG SER 69 HG SER 69 -13.444 2.249 -3.915 544 H THR 70 H THR 70 -12.061 4.425 -3.028 545 HA THR 70 HA THR 70 -11.889 4.504 -0.145 546 HB THR 70 HB THR 70 -13.203 6.462 -2.094 547 HG1 THR 70 HG1 THR 70 -10.468 5.972 -1.158 548 1HG2 THR 70 1HG2 THR 70 -12.064 8.039 -0.306 549 2HG2 THR 70 2HG2 THR 70 -13.611 7.263 0.112 550 3HG2 THR 70 3HG2 THR 70 -12.082 6.592 0.731 551 H PHE 71 H PHE 71 -13.385 3.879 1.281 552 HA PHE 71 HA PHE 71 -16.096 3.486 0.224 553 1HB PHE 71 1HB PHE 71 -14.527 1.892 2.339 554 2HB PHE 71 2HB PHE 71 -16.157 1.519 1.814 555 HD1 PHE 71 HD1 PHE 71 -16.166 1.520 -1.005 556 HD2 PHE 71 HD2 PHE 71 -13.011 0.345 1.578 557 HE1 PHE 71 HE1 PHE 71 -15.246 0.034 -2.805 558 HE2 PHE 71 HE2 PHE 71 -12.090 -1.141 -0.223 559 HZ PHE 71 HZ PHE 71 -13.219 -1.279 -2.393 560 H GLU 72 H GLU 72 -17.746 3.321 2.133 561 HA GLU 72 HA GLU 72 -17.059 5.493 3.943 562 1HB GLU 72 1HB GLU 72 -19.578 5.683 4.220 563 2HB GLU 72 2HB GLU 72 -18.983 6.041 2.611 564 1HG GLU 72 1HG GLU 72 -19.615 3.809 1.811 565 2HG GLU 72 2HG GLU 72 -20.028 3.292 3.434 566 H SER 73 H SER 73 -17.473 2.093 3.760 567 HA SER 73 HA SER 73 -16.913 1.689 6.397 568 1HB SER 73 1HB SER 73 -19.582 2.480 6.193 569 2HB SER 73 2HB SER 73 -19.705 0.732 6.230 570 HG SER 73 HG SER 73 -19.502 0.964 8.350 571 H LYS 74 H LYS 74 -18.276 -0.800 6.875 572 HA LYS 74 HA LYS 74 -17.099 -2.360 4.717 573 1HB LYS 74 1HB LYS 74 -17.102 -4.194 6.280 574 2HB LYS 74 2HB LYS 74 -16.394 -2.787 7.046 575 1HG LYS 74 1HG LYS 74 -18.930 -2.364 7.835 576 2HG LYS 74 2HG LYS 74 -19.065 -4.091 7.567 577 1HD LYS 74 1HD LYS 74 -16.694 -3.082 9.141 578 2HD LYS 74 2HD LYS 74 -18.259 -3.094 9.929 579 1HE LYS 74 1HE LYS 74 -16.801 -5.478 8.704 580 2HE LYS 74 2HE LYS 74 -17.162 -5.219 10.399 581 1HZ LYS 74 1HZ LYS 74 -18.838 -6.236 8.349 582 2HZ LYS 74 2HZ LYS 74 -18.982 -6.374 9.970 583 3HZ LYS 74 3HZ LYS 74 -19.571 -5.055 9.207 584 H GLU 75 H GLU 75 -20.184 -1.391 6.118 585 HA GLU 75 HA GLU 75 -21.646 -3.530 5.014 586 1HB GLU 75 1HB GLU 75 -22.567 -0.773 5.942 587 2HB GLU 75 2HB GLU 75 -23.631 -2.121 5.594 588 1HG GLU 75 1HG GLU 75 -22.147 -3.439 7.331 589 2HG GLU 75 2HG GLU 75 -21.609 -1.852 7.842 590 H ALA 76 H ALA 76 -20.513 -0.368 3.866 591 HA ALA 76 HA ALA 76 -22.296 -0.254 1.645 592 1HB ALA 76 1HB ALA 76 -19.650 1.187 2.064 593 2HB ALA 76 2HB ALA 76 -21.009 1.691 1.030 594 3HB ALA 76 3HB ALA 76 -21.185 1.705 2.802 595 H VAL 77 H VAL 77 -18.805 -1.119 2.123 596 HA VAL 77 HA VAL 77 -18.248 -1.690 -0.524 597 HB VAL 77 HB VAL 77 -16.862 -1.598 1.769 598 1HG1 VAL 77 1HG1 VAL 77 -16.033 -3.738 2.447 599 2HG1 VAL 77 2HG1 VAL 77 -17.811 -3.832 2.462 600 3HG1 VAL 77 3HG1 VAL 77 -16.893 -4.561 1.123 601 1HG2 VAL 77 1HG2 VAL 77 -14.926 -2.292 0.510 602 2HG2 VAL 77 2HG2 VAL 77 -15.940 -3.193 -0.643 603 3HG2 VAL 77 3HG2 VAL 77 -16.025 -1.416 -0.583 604 H ALA 78 H ALA 78 -20.107 -3.465 1.902 605 HA ALA 78 HA ALA 78 -19.934 -6.017 0.809 606 1HB ALA 78 1HB ALA 78 -22.339 -4.767 2.186 607 2HB ALA 78 2HB ALA 78 -21.870 -6.484 2.159 608 3HB ALA 78 3HB ALA 78 -20.880 -5.305 3.052 609 H GLU 79 H GLU 79 -21.952 -3.166 -0.017 610 HA GLU 79 HA GLU 79 -23.563 -4.634 -1.812 611 1HB GLU 79 1HB GLU 79 -23.231 -1.775 -1.000 612 2HB GLU 79 2HB GLU 79 -23.907 -2.040 -2.594 613 1HG GLU 79 1HG GLU 79 -25.509 -3.746 -1.421 614 2HG GLU 79 2HG GLU 79 -24.990 -3.004 0.079 615 H TYR 80 H TYR 80 -20.757 -2.366 -2.141 616 HA TYR 80 HA TYR 80 -20.663 -2.343 -4.918 617 1HB TYR 80 1HB TYR 80 -19.360 -0.781 -3.580 618 2HB TYR 80 2HB TYR 80 -18.719 -2.062 -2.571 619 HD1 TYR 80 HD1 TYR 80 -16.656 -3.118 -3.093 620 HD2 TYR 80 HD2 TYR 80 -18.531 -0.578 -5.981 621 HE1 TYR 80 HE1 TYR 80 -14.557 -3.185 -4.525 622 HE2 TYR 80 HE2 TYR 80 -16.424 -0.653 -7.403 623 HH TYR 80 HH TYR 80 -14.526 -1.835 -7.742 624 H ILE 81 H ILE 81 -19.389 -4.681 -2.515 625 HA ILE 81 HA ILE 81 -17.829 -6.080 -4.448 626 HB ILE 81 HB ILE 81 -18.649 -6.562 -1.600 627 1HG1 ILE 81 1HG1 ILE 81 -15.931 -6.185 -2.890 628 2HG1 ILE 81 2HG1 ILE 81 -16.865 -4.902 -2.146 629 1HG2 ILE 81 1HG2 ILE 81 -17.209 -8.479 -3.445 630 2HG2 ILE 81 2HG2 ILE 81 -17.136 -8.571 -1.669 631 3HG2 ILE 81 3HG2 ILE 81 -18.695 -8.761 -2.506 632 1HD1 ILE 81 1HD1 ILE 81 -15.404 -7.179 -0.866 633 2HD1 ILE 81 2HD1 ILE 81 -15.630 -5.509 -0.296 634 3HD1 ILE 81 3HD1 ILE 81 -16.941 -6.698 -0.110 635 H ALA 82 H ALA 82 -21.193 -5.899 -3.645 636 HA ALA 82 HA ALA 82 -21.668 -8.526 -4.855 637 1HB ALA 82 1HB ALA 82 -22.694 -8.201 -2.672 638 2HB ALA 82 2HB ALA 82 -23.429 -6.670 -3.205 639 3HB ALA 82 3HB ALA 82 -23.968 -8.211 -3.915 640 H HIS 83 H HIS 83 -20.734 -6.149 -6.369 641 HA HIS 83 HA HIS 83 -23.167 -5.488 -7.841 642 1HB HIS 83 1HB HIS 83 -21.244 -3.837 -6.891 643 2HB HIS 83 2HB HIS 83 -20.587 -4.160 -8.483 644 HD1 HIS 83 HD1 HIS 83 -21.750 -3.087 -10.507 645 HD2 HIS 83 HD2 HIS 83 -23.789 -2.483 -6.891 646 HE1 HIS 83 HE1 HIS 83 -23.556 -1.349 -10.986 647 HE2 HIS 83 HE2 HIS 83 -24.810 -1.059 -8.742 648 HA PRO 84 HA PRO 84 -21.856 -8.156 -10.998 649 1HB PRO 84 1HB PRO 84 -23.600 -7.409 -12.964 650 2HB PRO 84 2HB PRO 84 -24.025 -8.520 -11.678 651 1HG PRO 84 1HG PRO 84 -24.798 -5.686 -12.008 652 2HG PRO 84 2HG PRO 84 -25.531 -6.913 -10.994 653 1HD PRO 84 1HD PRO 84 -23.797 -4.793 -10.142 654 2HD PRO 84 2HD PRO 84 -24.438 -6.087 -9.148 655 H ALA 85 H ALA 85 -22.061 -4.734 -11.579 656 HA ALA 85 HA ALA 85 -20.707 -4.695 -14.004 657 1HB ALA 85 1HB ALA 85 -20.361 -2.540 -11.925 658 2HB ALA 85 2HB ALA 85 -20.635 -2.389 -13.678 659 3HB ALA 85 3HB ALA 85 -21.975 -2.856 -12.604 660 H HIS 86 H HIS 86 -19.519 -4.649 -10.592 661 HA HIS 86 HA HIS 86 -16.808 -4.422 -11.403 662 1HB HIS 86 1HB HIS 86 -17.178 -3.546 -9.305 663 2HB HIS 86 2HB HIS 86 -18.288 -4.818 -8.835 664 HD1 HIS 86 HD1 HIS 86 -17.198 -7.148 -8.095 665 HD2 HIS 86 HD2 HIS 86 -14.508 -3.974 -8.631 666 HE1 HIS 86 HE1 HIS 86 -15.021 -7.858 -6.970 667 HE2 HIS 86 HE2 HIS 86 -13.390 -5.891 -7.379 668 H VAL 87 H VAL 87 -18.996 -7.101 -10.378 669 HA VAL 87 HA VAL 87 -17.091 -9.102 -10.254 670 HB VAL 87 HB VAL 87 -20.034 -8.933 -10.703 671 1HG1 VAL 87 1HG1 VAL 87 -19.441 -10.683 -12.268 672 2HG1 VAL 87 2HG1 VAL 87 -18.415 -11.478 -11.051 673 3HG1 VAL 87 3HG1 VAL 87 -20.179 -11.417 -10.825 674 1HG2 VAL 87 1HG2 VAL 87 -20.187 -9.705 -8.563 675 2HG2 VAL 87 2HG2 VAL 87 -18.760 -10.758 -8.720 676 3HG2 VAL 87 3HG2 VAL 87 -18.551 -9.009 -8.465 677 H GLU 88 H GLU 88 -18.892 -7.715 -13.043 678 HA GLU 88 HA GLU 88 -18.240 -9.583 -14.911 679 1HB GLU 88 1HB GLU 88 -19.718 -7.420 -15.040 680 2HB GLU 88 2HB GLU 88 -18.246 -6.619 -15.555 681 1HG GLU 88 1HG GLU 88 -18.470 -7.454 -17.651 682 2HG GLU 88 2HG GLU 88 -18.493 -9.094 -17.035 683 H PHE 89 H PHE 89 -16.351 -6.691 -13.832 684 HA PHE 89 HA PHE 89 -14.272 -6.994 -15.663 685 1HB PHE 89 1HB PHE 89 -14.933 -5.600 -13.104 686 2HB PHE 89 2HB PHE 89 -13.216 -5.906 -13.274 687 HD1 PHE 89 HD1 PHE 89 -12.016 -4.144 -14.121 688 HD2 PHE 89 HD2 PHE 89 -15.985 -4.734 -15.504 689 HE1 PHE 89 HE1 PHE 89 -11.802 -2.125 -15.597 690 HE2 PHE 89 HE2 PHE 89 -15.771 -2.715 -16.980 691 HZ PHE 89 HZ PHE 89 -13.682 -1.435 -17.009 692 H ALA 90 H ALA 90 -14.613 -8.132 -12.231 693 HA ALA 90 HA ALA 90 -12.107 -9.307 -12.047 694 1HB ALA 90 1HB ALA 90 -13.032 -10.446 -10.118 695 2HB ALA 90 2HB ALA 90 -13.729 -8.809 -10.186 696 3HB ALA 90 3HB ALA 90 -14.691 -10.209 -10.717 697 H THR 91 H THR 91 -15.141 -10.390 -13.568 698 HA THR 91 HA THR 91 -14.369 -13.111 -13.820 699 HB THR 91 HB THR 91 -16.394 -11.404 -15.365 700 HG1 THR 91 HG1 THR 91 -17.705 -11.973 -13.578 701 1HG2 THR 91 1HG2 THR 91 -15.865 -13.752 -16.297 702 2HG2 THR 91 2HG2 THR 91 -16.432 -14.397 -14.738 703 3HG2 THR 91 3HG2 THR 91 -17.552 -13.497 -15.789 704 H ILE 92 H ILE 92 -14.015 -10.196 -15.893 705 HA ILE 92 HA ILE 92 -12.968 -11.685 -18.071 706 HB ILE 92 HB ILE 92 -13.140 -8.775 -17.355 707 1HG1 ILE 92 1HG1 ILE 92 -14.276 -10.147 -19.783 708 2HG1 ILE 92 2HG1 ILE 92 -15.091 -10.264 -18.236 709 1HG2 ILE 92 1HG2 ILE 92 -10.999 -9.049 -18.491 710 2HG2 ILE 92 2HG2 ILE 92 -11.798 -9.934 -19.812 711 3HG2 ILE 92 3HG2 ILE 92 -12.175 -8.216 -19.537 712 1HD1 ILE 92 1HD1 ILE 92 -14.660 -7.856 -19.983 713 2HD1 ILE 92 2HD1 ILE 92 -16.093 -8.333 -19.041 714 3HD1 ILE 92 3HD1 ILE 92 -14.692 -7.602 -18.222 715 H PHE 93 H PHE 93 -11.634 -10.080 -15.174 716 HA PHE 93 HA PHE 93 -8.951 -10.168 -16.040 717 1HB PHE 93 1HB PHE 93 -10.386 -8.988 -14.026 718 2HB PHE 93 2HB PHE 93 -9.808 -10.381 -13.134 719 HD1 PHE 93 HD1 PHE 93 -7.131 -10.817 -13.741 720 HD2 PHE 93 HD2 PHE 93 -9.155 -7.087 -13.656 721 HE1 PHE 93 HE1 PHE 93 -4.953 -9.644 -13.319 722 HE2 PHE 93 HE2 PHE 93 -6.976 -5.915 -13.234 723 HZ PHE 93 HZ PHE 93 -4.901 -7.207 -13.070 724 H LEU 94 H LEU 94 -11.129 -12.462 -14.376 725 HA LEU 94 HA LEU 94 -9.182 -14.172 -13.363 726 1HB LEU 94 1HB LEU 94 -12.075 -14.281 -13.970 727 2HB LEU 94 2HB LEU 94 -11.257 -15.828 -13.868 728 HG LEU 94 HG LEU 94 -10.665 -13.962 -11.650 729 1HD1 LEU 94 1HD1 LEU 94 -13.452 -14.734 -12.343 730 2HD1 LEU 94 2HD1 LEU 94 -12.967 -14.871 -10.636 731 3HD1 LEU 94 3HD1 LEU 94 -12.830 -13.308 -11.477 732 1HD2 LEU 94 1HD2 LEU 94 -10.174 -16.569 -12.093 733 2HD2 LEU 94 2HD2 LEU 94 -10.325 -15.858 -10.468 734 3HD2 LEU 94 3HD2 LEU 94 -11.709 -16.702 -11.203 735 H GLY 95 H GLY 95 -10.383 -13.618 -16.637 736 1HA GLY 95 1HA GLY 95 -9.705 -16.050 -17.830 737 2HA GLY 95 2HA GLY 95 -9.790 -14.489 -18.621 738 H SER 96 H SER 96 -7.721 -13.274 -16.771 739 HA SER 96 HA SER 96 -5.390 -14.846 -17.253 740 1HB SER 96 1HB SER 96 -5.936 -12.290 -18.801 741 2HB SER 96 2HB SER 96 -4.297 -12.828 -18.493 742 HG SER 96 HG SER 96 -4.718 -14.779 -19.631 743 H LEU 97 H LEU 97 -5.593 -14.621 -14.845 744 HA LEU 97 HA LEU 97 -4.644 -11.981 -13.968 745 1HB LEU 97 1HB LEU 97 -6.079 -11.964 -12.267 746 2HB LEU 97 2HB LEU 97 -6.996 -13.067 -13.273 747 HG LEU 97 HG LEU 97 -5.830 -14.971 -12.047 748 1HD1 LEU 97 1HD1 LEU 97 -5.281 -13.828 -9.592 749 2HD1 LEU 97 2HD1 LEU 97 -4.086 -14.401 -10.780 750 3HD1 LEU 97 3HD1 LEU 97 -4.557 -12.685 -10.748 751 1HD2 LEU 97 1HD2 LEU 97 -7.677 -15.144 -10.806 752 2HD2 LEU 97 2HD2 LEU 97 -7.339 -13.634 -9.926 753 3HD2 LEU 97 3HD2 LEU 97 -8.147 -13.579 -11.511 754 H ASP 98 H ASP 98 -2.680 -11.905 -12.976 755 HA ASP 98 HA ASP 98 -1.222 -14.343 -12.890 756 1HB ASP 98 1HB ASP 98 -0.312 -12.045 -13.565 757 2HB ASP 98 2HB ASP 98 -0.404 -11.583 -11.877 758 H LYS 99 H LYS 99 -1.939 -11.666 -10.508 759 HA LYS 99 HA LYS 99 -2.513 -13.595 -8.460 760 1HB LYS 99 1HB LYS 99 -0.739 -12.374 -6.951 761 2HB LYS 99 2HB LYS 99 -0.290 -13.748 -7.941 762 1HG LYS 99 1HG LYS 99 0.394 -12.107 -9.774 763 2HG LYS 99 2HG LYS 99 0.107 -10.802 -8.639 764 1HD LYS 99 1HD LYS 99 2.076 -13.101 -8.215 765 2HD LYS 99 2HD LYS 99 2.514 -11.477 -8.707 766 1HE LYS 99 1HE LYS 99 2.774 -11.098 -6.463 767 2HE LYS 99 2HE LYS 99 1.030 -10.921 -6.457 768 1HZ LYS 99 1HZ LYS 99 0.756 -13.003 -5.616 769 2HZ LYS 99 2HZ LYS 99 2.164 -13.586 -6.202 770 3HZ LYS 99 3HZ LYS 99 2.167 -12.601 -4.899 771 H VAL 100 H VAL 100 -3.694 -12.664 -6.717 772 HA VAL 100 HA VAL 100 -4.059 -9.804 -6.716 773 HB VAL 100 HB VAL 100 -6.552 -10.071 -6.906 774 1HG1 VAL 100 1HG1 VAL 100 -5.107 -10.843 -9.453 775 2HG1 VAL 100 2HG1 VAL 100 -6.561 -9.832 -9.267 776 3HG1 VAL 100 3HG1 VAL 100 -4.979 -9.225 -8.721 777 1HG2 VAL 100 1HG2 VAL 100 -7.290 -12.197 -6.820 778 2HG2 VAL 100 2HG2 VAL 100 -6.885 -12.240 -8.553 779 3HG2 VAL 100 3HG2 VAL 100 -5.729 -12.866 -7.353 780 H LEU 101 H LEU 101 -3.862 -9.306 -4.600 781 HA LEU 101 HA LEU 101 -5.162 -11.122 -2.697 782 1HB LEU 101 1HB LEU 101 -2.458 -9.814 -2.367 783 2HB LEU 101 2HB LEU 101 -3.301 -10.749 -1.148 784 HG LEU 101 HG LEU 101 -1.668 -12.183 -2.050 785 1HD1 LEU 101 1HD1 LEU 101 -3.802 -13.272 -3.764 786 2HD1 LEU 101 2HD1 LEU 101 -2.961 -13.988 -2.368 787 3HD1 LEU 101 3HD1 LEU 101 -4.311 -12.857 -2.109 788 1HD2 LEU 101 1HD2 LEU 101 -0.774 -11.902 -4.059 789 2HD2 LEU 101 2HD2 LEU 101 -2.308 -12.357 -4.839 790 3HD2 LEU 101 3HD2 LEU 101 -1.996 -10.657 -4.413 791 H VAL 102 H VAL 102 -6.516 -10.129 -1.268 792 HA VAL 102 HA VAL 102 -6.598 -7.210 -1.435 793 HB VAL 102 HB VAL 102 -8.644 -8.201 -2.054 794 1HG1 VAL 102 1HG1 VAL 102 -8.690 -10.407 -1.419 795 2HG1 VAL 102 2HG1 VAL 102 -8.108 -10.064 0.228 796 3HG1 VAL 102 3HG1 VAL 102 -9.799 -9.721 -0.208 797 1HG2 VAL 102 1HG2 VAL 102 -9.850 -6.756 -0.855 798 2HG2 VAL 102 2HG2 VAL 102 -9.670 -7.742 0.616 799 3HG2 VAL 102 3HG2 VAL 102 -8.433 -6.532 0.200 800 H ILE 103 H ILE 103 -5.797 -6.018 0.212 801 HA ILE 103 HA ILE 103 -5.808 -7.240 2.871 802 HB ILE 103 HB ILE 103 -3.444 -5.765 1.715 803 1HG1 ILE 103 1HG1 ILE 103 -3.969 -8.036 0.650 804 2HG1 ILE 103 2HG1 ILE 103 -2.355 -7.781 1.282 805 1HG2 ILE 103 1HG2 ILE 103 -4.020 -7.099 4.352 806 2HG2 ILE 103 2HG2 ILE 103 -2.354 -6.902 3.757 807 3HG2 ILE 103 3HG2 ILE 103 -3.378 -5.471 4.024 808 1HD1 ILE 103 1HD1 ILE 103 -2.924 -8.985 3.356 809 2HD1 ILE 103 2HD1 ILE 103 -4.607 -9.169 2.807 810 3HD1 ILE 103 3HD1 ILE 103 -3.293 -10.002 1.943 811 H ASP 104 H ASP 104 -6.205 -5.793 4.569 812 HA ASP 104 HA ASP 104 -7.155 -3.227 3.627 813 1HB ASP 104 1HB ASP 104 -8.487 -4.924 5.131 814 2HB ASP 104 2HB ASP 104 -7.468 -4.349 6.436 815 H TYR 105 H TYR 105 -6.171 -1.281 4.340 816 HA TYR 105 HA TYR 105 -3.934 -1.607 6.226 817 1HB TYR 105 1HB TYR 105 -3.230 -1.061 3.905 818 2HB TYR 105 2HB TYR 105 -4.477 0.163 3.769 819 HD1 TYR 105 HD1 TYR 105 -3.824 2.379 3.970 820 HD2 TYR 105 HD2 TYR 105 -1.532 -0.632 5.966 821 HE1 TYR 105 HE1 TYR 105 -2.165 4.144 4.743 822 HE2 TYR 105 HE2 TYR 105 0.119 1.143 6.732 823 HH TYR 105 HH TYR 105 -0.555 4.514 6.354 824 H LYS 106 H LYS 106 -4.214 -0.593 8.144 825 HA LYS 106 HA LYS 106 -6.015 1.730 8.149 826 1HB LYS 106 1HB LYS 106 -6.056 -0.714 9.710 827 2HB LYS 106 2HB LYS 106 -5.883 0.680 10.757 828 1HG LYS 106 1HG LYS 106 -7.849 1.132 8.597 829 2HG LYS 106 2HG LYS 106 -8.273 -0.233 9.611 830 1HD LYS 106 1HD LYS 106 -7.460 1.680 11.481 831 2HD LYS 106 2HD LYS 106 -8.249 2.657 10.259 832 1HE LYS 106 1HE LYS 106 -9.981 2.017 11.798 833 2HE LYS 106 2HE LYS 106 -10.230 1.032 10.371 834 1HZ LYS 106 1HZ LYS 106 -9.850 0.141 12.913 835 2HZ LYS 106 2HZ LYS 106 -9.867 -0.772 11.559 836 3HZ LYS 106 3HZ LYS 106 -8.450 -0.221 12.154 837 HA PRO 107 HA PRO 107 -2.541 3.887 9.562 838 1HB PRO 107 1HB PRO 107 -3.745 6.213 10.344 839 2HB PRO 107 2HB PRO 107 -3.331 5.861 8.678 840 1HG PRO 107 1HG PRO 107 -5.986 5.820 9.976 841 2HG PRO 107 2HG PRO 107 -5.601 5.893 8.268 842 1HD PRO 107 1HD PRO 107 -6.504 3.594 9.727 843 2HD PRO 107 2HD PRO 107 -6.007 3.641 8.047 844 H THR 108 H THR 108 -1.688 2.689 11.222 845 HA THR 108 HA THR 108 -2.782 3.488 13.841 846 HB THR 108 HB THR 108 -1.836 0.811 12.734 847 HG1 THR 108 HG1 THR 108 -4.033 0.649 12.924 848 1HG2 THR 108 1HG2 THR 108 -1.327 1.839 15.406 849 2HG2 THR 108 2HG2 THR 108 -2.605 0.603 15.492 850 3HG2 THR 108 3HG2 THR 108 -1.024 0.200 14.779 851 H SER 109 H SER 109 -1.308 5.351 13.664 852 HA SER 109 HA SER 109 1.478 4.659 13.740 853 1HB SER 109 1HB SER 109 1.629 7.260 14.096 854 2HB SER 109 2HB SER 109 1.173 6.632 12.524 855 HG SER 109 HG SER 109 -0.857 7.371 12.755 856 H VAL 110 H VAL 110 2.894 5.462 15.555 857 HA VAL 110 HA VAL 110 1.491 5.095 18.086 858 HB VAL 110 HB VAL 110 4.370 4.899 17.211 859 1HG1 VAL 110 1HG1 VAL 110 4.486 4.022 19.756 860 2HG1 VAL 110 2HG1 VAL 110 4.843 5.701 19.286 861 3HG1 VAL 110 3HG1 VAL 110 3.241 5.281 19.938 862 1HG2 VAL 110 1HG2 VAL 110 2.904 2.978 16.714 863 2HG2 VAL 110 2HG2 VAL 110 4.150 2.568 17.917 864 3HG2 VAL 110 3HG2 VAL 110 2.474 2.867 18.437 865 H SER 111 H SER 111 1.583 6.616 19.779 866 HA SER 111 HA SER 111 1.801 9.274 18.891 867 1HB SER 111 1HB SER 111 1.782 9.187 21.753 868 2HB SER 111 2HB SER 111 0.453 9.565 20.676 869 HG SER 111 HG SER 111 0.725 7.401 22.245 870 H LEU 112 H LEU 112 3.462 10.788 19.194 871 HA LEU 112 HA LEU 112 6.025 9.701 19.852 872 1HB LEU 112 1HB LEU 112 5.340 12.583 19.305 873 2HB LEU 112 2HB LEU 112 6.889 11.784 19.126 874 HG LEU 112 HG LEU 112 4.467 11.062 17.462 875 1HD1 LEU 112 1HD1 LEU 112 6.574 13.170 16.998 876 2HD1 LEU 112 2HD1 LEU 112 5.691 12.403 15.656 877 3HD1 LEU 112 3HD1 LEU 112 4.802 13.312 16.901 878 1HD2 LEU 112 1HD2 LEU 112 6.414 10.306 15.911 879 2HD2 LEU 112 2HD2 LEU 112 7.379 10.323 17.407 880 3HD2 LEU 112 3HD2 LEU 112 5.937 9.285 17.288 881 1H GLY 1 1H GLY 1 12.448 29.178 6.347 882 1HA GLY 1 1HA GLY 1 13.665 28.148 3.863 883 2HA GLY 1 2HA GLY 1 12.089 27.719 4.496 884 H SER 2 H SER 2 12.356 28.592 1.842 885 HA SER 2 HA SER 2 11.766 31.391 1.799 886 1HB SER 2 1HB SER 2 11.526 30.988 -0.687 887 2HB SER 2 2HB SER 2 13.086 30.534 -0.030 888 HG SER 2 HG SER 2 12.215 28.901 -1.467 889 H HIS 3 H HIS 3 10.090 28.233 1.311 890 HA HIS 3 HA HIS 3 7.683 29.078 2.289 891 1HB HIS 3 1HB HIS 3 8.092 30.251 -0.219 892 2HB HIS 3 2HB HIS 3 7.022 28.901 -0.543 893 HD1 HIS 3 HD1 HIS 3 5.025 30.511 -1.028 894 HD2 HIS 3 HD2 HIS 3 6.574 30.801 2.859 895 HE1 HIS 3 HE1 HIS 3 3.330 31.862 0.318 896 H MET 4 H MET 4 6.227 27.319 2.433 897 HA MET 4 HA MET 4 6.977 24.971 0.902 898 1HB MET 4 1HB MET 4 6.899 25.311 3.919 899 2HB MET 4 2HB MET 4 6.443 23.756 3.251 900 1HG MET 4 1HG MET 4 8.611 23.210 2.819 901 2HG MET 4 2HG MET 4 8.893 24.719 1.974 902 1HE MET 4 1HE MET 4 11.312 23.506 3.839 903 2HE MET 4 2HE MET 4 10.938 23.572 5.578 904 3HE MET 4 3HE MET 4 9.938 22.580 4.489 905 H GLU 5 H GLU 5 5.119 24.731 -0.306 906 HA GLU 5 HA GLU 5 2.639 24.720 1.232 907 1HB GLU 5 1HB GLU 5 3.270 26.465 -0.828 908 2HB GLU 5 2HB GLU 5 2.400 25.208 -1.685 909 1HG GLU 5 1HG GLU 5 0.408 25.869 -0.812 910 2HG GLU 5 2HG GLU 5 1.038 25.841 0.823 911 H GLU 6 H GLU 6 0.863 23.345 0.067 912 HA GLU 6 HA GLU 6 2.176 20.877 -0.694 913 1HB GLU 6 1HB GLU 6 0.509 20.936 1.214 914 2HB GLU 6 2HB GLU 6 -0.742 21.346 0.058 915 1HG GLU 6 1HG GLU 6 0.657 19.076 -1.006 916 2HG GLU 6 2HG GLU 6 0.355 18.736 0.686 917 H ALA 7 H ALA 7 2.313 20.355 -2.829 918 HA ALA 7 HA ALA 7 0.049 20.860 -4.540 919 1HB ALA 7 1HB ALA 7 2.751 22.186 -4.999 920 2HB ALA 7 2HB ALA 7 1.456 22.084 -6.216 921 3HB ALA 7 3HB ALA 7 1.194 23.000 -4.712 922 H LYS 8 H LYS 8 1.517 18.563 -3.334 923 HA LYS 8 HA LYS 8 1.665 16.976 -5.638 924 1HB LYS 8 1HB LYS 8 3.832 18.318 -5.818 925 2HB LYS 8 2HB LYS 8 4.383 17.453 -4.398 926 1HG LYS 8 1HG LYS 8 4.814 15.568 -5.598 927 2HG LYS 8 2HG LYS 8 3.230 15.594 -6.347 928 1HD LYS 8 1HD LYS 8 5.055 17.714 -7.349 929 2HD LYS 8 2HD LYS 8 5.630 16.088 -7.660 930 1HE LYS 8 1HE LYS 8 4.287 16.362 -9.535 931 2HE LYS 8 2HE LYS 8 3.094 15.691 -8.442 932 1HZ LYS 8 1HZ LYS 8 3.447 18.462 -9.258 933 2HZ LYS 8 2HZ LYS 8 2.081 17.568 -9.208 934 3HZ LYS 8 3HZ LYS 8 2.733 18.141 -7.825 935 H GLY 9 H GLY 9 2.694 17.534 -2.233 936 1HA GLY 9 1HA GLY 9 2.362 14.687 -1.646 937 2HA GLY 9 2HA GLY 9 3.025 15.923 -0.595 938 HA PRO 10 HA PRO 10 2.553 14.515 0.819 939 1HB PRO 10 1HB PRO 10 1.366 12.624 2.396 940 2HB PRO 10 2HB PRO 10 1.839 14.205 2.986 941 1HG PRO 10 1HG PRO 10 -0.866 13.197 2.350 942 2HG PRO 10 2HG PRO 10 -0.411 14.583 3.321 943 1HD PRO 10 1HD PRO 10 -1.417 14.624 0.635 944 2HD PRO 10 2HD PRO 10 -0.854 15.999 1.565 945 H VAL 11 H VAL 11 3.304 12.106 0.907 946 HA VAL 11 HA VAL 11 2.052 10.838 -1.431 947 HB VAL 11 HB VAL 11 4.901 11.445 -0.790 948 1HG1 VAL 11 1HG1 VAL 11 5.650 9.642 -2.340 949 2HG1 VAL 11 2HG1 VAL 11 4.953 9.025 -0.822 950 3HG1 VAL 11 3HG1 VAL 11 3.996 8.985 -2.322 951 1HG2 VAL 11 1HG2 VAL 11 3.270 12.529 -2.571 952 2HG2 VAL 11 2HG2 VAL 11 4.990 12.261 -2.940 953 3HG2 VAL 11 3HG2 VAL 11 3.762 11.123 -3.545 954 H LYS 12 H LYS 12 1.624 8.642 -1.267 955 HA LYS 12 HA LYS 12 2.034 7.545 1.407 956 1HB LYS 12 1HB LYS 12 -0.066 7.385 -0.619 957 2HB LYS 12 2HB LYS 12 0.408 5.802 -0.036 958 1HG LYS 12 1HG LYS 12 -0.062 6.383 2.255 959 2HG LYS 12 2HG LYS 12 -0.140 8.095 1.889 960 1HD LYS 12 1HD LYS 12 -2.082 7.072 0.186 961 2HD LYS 12 2HD LYS 12 -2.219 5.995 1.562 962 1HE LYS 12 1HE LYS 12 -2.417 7.990 3.083 963 2HE LYS 12 2HE LYS 12 -2.325 9.048 1.689 964 1HZ LYS 12 1HZ LYS 12 -4.587 8.144 2.648 965 2HZ LYS 12 2HZ LYS 12 -4.396 8.514 1.069 966 3HZ LYS 12 3HZ LYS 12 -4.304 6.959 1.561 967 H HIS 13 H HIS 13 3.339 5.797 1.807 968 HA HIS 13 HA HIS 13 4.613 4.635 -0.564 969 1HB HIS 13 1HB HIS 13 6.098 6.111 0.781 970 2HB HIS 13 2HB HIS 13 5.844 5.076 2.171 971 HD1 HIS 13 HD1 HIS 13 7.601 5.193 -1.163 972 HD2 HIS 13 HD2 HIS 13 7.241 2.621 2.131 973 HE1 HIS 13 HE1 HIS 13 9.409 3.414 -1.444 974 HE2 HIS 13 HE2 HIS 13 9.173 1.894 0.637 975 H VAL 14 H VAL 14 4.370 2.462 -0.826 976 HA VAL 14 HA VAL 14 3.280 1.004 1.480 977 HB VAL 14 HB VAL 14 2.989 0.393 -1.466 978 1HG1 VAL 14 1HG1 VAL 14 1.798 -0.807 1.045 979 2HG1 VAL 14 2HG1 VAL 14 1.068 -1.031 -0.563 980 3HG1 VAL 14 3HG1 VAL 14 2.718 -1.617 -0.245 981 1HG2 VAL 14 1HG2 VAL 14 0.764 1.450 0.267 982 2HG2 VAL 14 2HG2 VAL 14 1.897 2.568 -0.527 983 3HG2 VAL 14 3HG2 VAL 14 0.917 1.451 -1.506 984 H LEU 15 H LEU 15 4.340 -0.814 2.214 985 HA LEU 15 HA LEU 15 6.588 -1.752 0.589 986 1HB LEU 15 1HB LEU 15 7.341 -0.129 2.336 987 2HB LEU 15 2HB LEU 15 6.734 -1.227 3.559 988 HG LEU 15 HG LEU 15 8.416 -2.782 1.906 989 1HD1 LEU 15 1HD1 LEU 15 9.937 -0.326 2.767 990 2HD1 LEU 15 2HD1 LEU 15 10.453 -1.651 1.697 991 3HD1 LEU 15 3HD1 LEU 15 9.237 -0.478 1.138 992 1HD2 LEU 15 1HD2 LEU 15 8.931 -1.597 4.648 993 2HD2 LEU 15 2HD2 LEU 15 8.031 -3.094 4.303 994 3HD2 LEU 15 3HD2 LEU 15 9.768 -2.993 3.927 995 H LEU 16 H LEU 16 7.194 -3.992 1.023 996 HA LEU 16 HA LEU 16 5.117 -5.454 2.488 997 1HB LEU 16 1HB LEU 16 5.204 -5.363 -0.224 998 2HB LEU 16 2HB LEU 16 6.236 -6.746 0.082 999 HG LEU 16 HG LEU 16 3.669 -6.726 1.565 1000 1HD1 LEU 16 1HD1 LEU 16 2.400 -6.202 -0.197 1001 2HD1 LEU 16 2HD1 LEU 16 3.754 -6.366 -1.341 1002 3HD1 LEU 16 3HD1 LEU 16 2.844 -7.807 -0.828 1003 1HD2 LEU 16 1HD2 LEU 16 5.551 -8.676 0.354 1004 2HD2 LEU 16 2HD2 LEU 16 4.675 -8.724 1.903 1005 3HD2 LEU 16 3HD2 LEU 16 3.832 -9.137 0.390 1006 H ALA 17 H ALA 17 5.908 -6.891 3.952 1007 HA ALA 17 HA ALA 17 8.432 -8.158 3.537 1008 1HB ALA 17 1HB ALA 17 8.870 -5.730 4.432 1009 2HB ALA 17 2HB ALA 17 8.298 -6.392 5.982 1010 3HB ALA 17 3HB ALA 17 9.719 -7.103 5.181 1011 H SER 18 H SER 18 8.589 -10.036 4.796 1012 HA SER 18 HA SER 18 6.404 -10.379 6.696 1013 1HB SER 18 1HB SER 18 7.504 -12.585 4.907 1014 2HB SER 18 2HB SER 18 6.098 -12.672 5.950 1015 HG SER 18 HG SER 18 6.084 -12.038 3.397 1016 H PHE 19 H PHE 19 7.264 -10.620 8.724 1017 HA PHE 19 HA PHE 19 9.991 -11.101 9.135 1018 1HB PHE 19 1HB PHE 19 7.402 -10.954 10.705 1019 2HB PHE 19 2HB PHE 19 8.764 -11.687 11.530 1020 HD1 PHE 19 HD1 PHE 19 10.836 -10.346 11.912 1021 HD2 PHE 19 HD2 PHE 19 7.285 -8.601 10.379 1022 HE1 PHE 19 HE1 PHE 19 11.694 -8.067 12.520 1023 HE2 PHE 19 HE2 PHE 19 8.143 -6.321 10.987 1024 HZ PHE 19 HZ PHE 19 10.337 -6.082 12.051 1025 H LYS 20 H LYS 20 11.059 -12.991 8.803 1026 HA LYS 20 HA LYS 20 9.542 -15.466 9.175 1027 1HB LYS 20 1HB LYS 20 11.189 -16.515 7.767 1028 2HB LYS 20 2HB LYS 20 10.590 -15.075 6.968 1029 1HG LYS 20 1HG LYS 20 12.615 -13.986 7.104 1030 2HG LYS 20 2HG LYS 20 12.965 -14.608 8.704 1031 1HD LYS 20 1HD LYS 20 14.409 -16.072 7.749 1032 2HD LYS 20 2HD LYS 20 13.031 -16.895 7.045 1033 1HE LYS 20 1HE LYS 20 13.141 -15.438 5.040 1034 2HE LYS 20 2HE LYS 20 14.451 -14.517 5.752 1035 1HZ LYS 20 1HZ LYS 20 15.663 -15.994 4.622 1036 2HZ LYS 20 2HZ LYS 20 15.429 -16.955 5.920 1037 3HZ LYS 20 3HZ LYS 20 14.504 -17.143 4.588 1038 H ASP 21 H ASP 21 12.181 -16.941 9.406 1039 HA ASP 21 HA ASP 21 13.404 -17.773 10.991 1040 1HB ASP 21 1HB ASP 21 13.422 -14.893 12.005 1041 2HB ASP 21 2HB ASP 21 14.444 -16.151 12.671 1042 H GLY 22 H GLY 22 13.595 -17.939 13.616 1043 1HA GLY 22 1HA GLY 22 10.882 -18.336 14.566 1044 2HA GLY 22 2HA GLY 22 12.374 -18.851 15.327 1045 H VAL 23 H VAL 23 11.937 -15.512 14.151 1046 HA VAL 23 HA VAL 23 12.486 -14.510 16.765 1047 HB VAL 23 HB VAL 23 13.146 -13.626 14.411 1048 1HG1 VAL 23 1HG1 VAL 23 10.635 -11.983 14.744 1049 2HG1 VAL 23 2HG1 VAL 23 11.713 -12.114 13.334 1050 3HG1 VAL 23 3HG1 VAL 23 10.648 -13.473 13.770 1051 1HG2 VAL 23 1HG2 VAL 23 13.321 -11.324 15.312 1052 2HG2 VAL 23 2HG2 VAL 23 12.223 -11.778 16.638 1053 3HG2 VAL 23 3HG2 VAL 23 13.816 -12.560 16.494 1054 H SER 24 H SER 24 10.985 -14.473 18.353 1055 HA SER 24 HA SER 24 8.346 -14.927 18.026 1056 1HB SER 24 1HB SER 24 10.099 -13.937 20.143 1057 2HB SER 24 2HB SER 24 8.531 -13.163 20.243 1058 HG SER 24 HG SER 24 7.797 -15.597 19.866 1059 HA PRO 25 HA PRO 25 6.515 -11.184 16.760 1060 1HB PRO 25 1HB PRO 25 4.210 -10.990 18.215 1061 2HB PRO 25 2HB PRO 25 4.380 -12.044 16.826 1062 1HG PRO 25 1HG PRO 25 4.347 -12.751 19.697 1063 2HG PRO 25 2HG PRO 25 4.090 -13.788 18.308 1064 1HD PRO 25 1HD PRO 25 6.466 -13.617 19.905 1065 2HD PRO 25 2HD PRO 25 6.248 -14.567 18.448 1066 H GLU 26 H GLU 26 6.806 -11.413 20.230 1067 HA GLU 26 HA GLU 26 6.376 -8.763 20.784 1068 1HB GLU 26 1HB GLU 26 7.123 -11.057 22.202 1069 2HB GLU 26 2HB GLU 26 8.494 -9.989 22.430 1070 1HG GLU 26 1HG GLU 26 6.887 -8.156 23.131 1071 2HG GLU 26 2HG GLU 26 5.573 -9.309 23.010 1072 H LYS 27 H LYS 27 9.242 -10.444 19.486 1073 HA LYS 27 HA LYS 27 10.987 -8.224 19.894 1074 1HB LYS 27 1HB LYS 27 11.387 -10.867 19.529 1075 2HB LYS 27 2HB LYS 27 11.624 -10.321 17.881 1076 1HG LYS 27 1HG LYS 27 12.962 -8.578 19.864 1077 2HG LYS 27 2HG LYS 27 13.534 -10.234 19.924 1078 1HD LYS 27 1HD LYS 27 13.938 -10.172 17.445 1079 2HD LYS 27 2HD LYS 27 13.394 -8.506 17.407 1080 1HE LYS 27 1HE LYS 27 15.283 -7.714 18.592 1081 2HE LYS 27 2HE LYS 27 15.612 -9.274 19.319 1082 1HZ LYS 27 1HZ LYS 27 17.094 -9.434 17.695 1083 2HZ LYS 27 2HZ LYS 27 15.843 -9.793 16.709 1084 3HZ LYS 27 3HZ LYS 27 16.418 -8.266 16.777 1085 H ILE 28 H ILE 28 8.868 -9.452 17.282 1086 HA ILE 28 HA ILE 28 9.854 -7.851 15.235 1087 HB ILE 28 HB ILE 28 7.136 -9.043 15.763 1088 1HG1 ILE 28 1HG1 ILE 28 9.253 -9.908 13.783 1089 2HG1 ILE 28 2HG1 ILE 28 9.188 -10.522 15.424 1090 1HG2 ILE 28 1HG2 ILE 28 8.118 -7.393 13.453 1091 2HG2 ILE 28 2HG2 ILE 28 6.928 -8.691 13.194 1092 3HG2 ILE 28 3HG2 ILE 28 6.554 -7.348 14.301 1093 1HD1 ILE 28 1HD1 ILE 28 7.864 -12.118 14.394 1094 2HD1 ILE 28 2HD1 ILE 28 6.599 -10.925 14.775 1095 3HD1 ILE 28 3HD1 ILE 28 7.297 -10.990 13.139 1096 H GLU 29 H GLU 29 7.200 -7.259 17.632 1097 HA GLU 29 HA GLU 29 6.590 -4.739 16.641 1098 1HB GLU 29 1HB GLU 29 5.456 -4.425 18.867 1099 2HB GLU 29 2HB GLU 29 5.020 -5.918 18.060 1100 1HG GLU 29 1HG GLU 29 6.458 -7.233 19.490 1101 2HG GLU 29 2HG GLU 29 7.276 -5.809 20.104 1102 H GLU 30 H GLU 30 9.049 -5.921 18.939 1103 HA GLU 30 HA GLU 30 9.653 -3.522 20.142 1104 1HB GLU 30 1HB GLU 30 10.953 -6.163 19.781 1105 2HB GLU 30 2HB GLU 30 12.086 -4.851 20.037 1106 1HG GLU 30 1HG GLU 30 10.207 -4.248 21.952 1107 2HG GLU 30 2HG GLU 30 10.051 -5.993 21.904 1108 H LEU 31 H LEU 31 10.815 -4.991 17.062 1109 HA LEU 31 HA LEU 31 12.746 -2.990 16.564 1110 1HB LEU 31 1HB LEU 31 11.600 -5.326 15.203 1111 2HB LEU 31 2HB LEU 31 12.094 -4.042 14.118 1112 HG LEU 31 HG LEU 31 14.238 -4.305 15.902 1113 1HD1 LEU 31 1HD1 LEU 31 14.535 -6.933 15.197 1114 2HD1 LEU 31 2HD1 LEU 31 14.035 -6.345 16.801 1115 3HD1 LEU 31 3HD1 LEU 31 12.807 -6.857 15.618 1116 1HD2 LEU 31 1HD2 LEU 31 15.111 -5.638 13.718 1117 2HD2 LEU 31 2HD2 LEU 31 13.670 -4.837 13.046 1118 3HD2 LEU 31 3HD2 LEU 31 14.953 -3.867 13.810 1119 H ILE 32 H ILE 32 9.273 -3.420 15.751 1120 HA ILE 32 HA ILE 32 9.184 -1.187 14.016 1121 HB ILE 32 HB ILE 32 6.993 -2.633 15.511 1122 1HG1 ILE 32 1HG1 ILE 32 7.837 -3.019 12.632 1123 2HG1 ILE 32 2HG1 ILE 32 8.490 -3.984 13.941 1124 1HG2 ILE 32 1HG2 ILE 32 6.605 -1.059 12.981 1125 2HG2 ILE 32 2HG2 ILE 32 5.414 -1.554 14.208 1126 3HG2 ILE 32 3HG2 ILE 32 6.571 -0.249 14.566 1127 1HD1 ILE 32 1HD1 ILE 32 5.603 -3.860 14.215 1128 2HD1 ILE 32 2HD1 ILE 32 6.027 -4.373 12.564 1129 3HD1 ILE 32 3HD1 ILE 32 6.640 -5.285 13.964 1130 H LYS 33 H LYS 33 8.903 -1.680 17.530 1131 HA LYS 33 HA LYS 33 7.704 0.782 18.121 1132 1HB LYS 33 1HB LYS 33 9.005 -1.422 19.569 1133 2HB LYS 33 2HB LYS 33 9.219 0.138 20.336 1134 1HG LYS 33 1HG LYS 33 6.471 -0.641 19.329 1135 2HG LYS 33 2HG LYS 33 7.051 -1.324 20.835 1136 1HD LYS 33 1HD LYS 33 7.090 1.676 20.291 1137 2HD LYS 33 2HD LYS 33 5.703 0.874 21.002 1138 1HE LYS 33 1HE LYS 33 6.864 0.316 22.987 1139 2HE LYS 33 2HE LYS 33 8.437 0.414 22.220 1140 1HZ LYS 33 1HZ LYS 33 7.170 2.892 22.031 1141 2HZ LYS 33 2HZ LYS 33 7.116 2.401 23.588 1142 3HZ LYS 33 3HZ LYS 33 8.551 2.514 22.816 1143 H GLY 34 H GLY 34 11.135 -0.254 17.736 1144 1HA GLY 34 1HA GLY 34 12.261 2.221 18.532 1145 2HA GLY 34 2HA GLY 34 13.042 0.938 17.630 1146 H TYR 35 H TYR 35 11.494 0.746 15.300 1147 HA TYR 35 HA TYR 35 12.553 2.531 13.611 1148 1HB TYR 35 1HB TYR 35 10.543 0.531 13.677 1149 2HB TYR 35 2HB TYR 35 9.659 1.940 13.124 1150 HD1 TYR 35 HD1 TYR 35 10.689 -0.831 11.772 1151 HD2 TYR 35 HD2 TYR 35 11.744 3.304 11.471 1152 HE1 TYR 35 HE1 TYR 35 11.547 -1.214 9.410 1153 HE2 TYR 35 HE2 TYR 35 12.598 2.907 9.110 1154 HH TYR 35 HH TYR 35 11.937 0.020 7.416 1155 H ALA 36 H ALA 36 9.345 2.931 15.269 1156 HA ALA 36 HA ALA 36 8.793 5.424 14.132 1157 1HB ALA 36 1HB ALA 36 7.336 3.676 15.473 1158 2HB ALA 36 2HB ALA 36 7.844 4.640 16.882 1159 3HB ALA 36 3HB ALA 36 6.948 5.412 15.551 1160 H ASN 37 H ASN 37 10.613 4.408 17.058 1161 HA ASN 37 HA ASN 37 10.831 6.959 18.134 1162 1HB ASN 37 1HB ASN 37 11.362 4.639 19.205 1163 2HB ASN 37 2HB ASN 37 12.917 4.744 18.404 1164 1HD2 ASN 37 1HD2 ASN 37 14.087 6.869 18.710 1165 2HD2 ASN 37 2HD2 ASN 37 14.117 7.542 20.306 1166 H LEU 38 H LEU 38 12.678 5.075 15.703 1167 HA LEU 38 HA LEU 38 14.895 6.855 15.630 1168 1HB LEU 38 1HB LEU 38 13.969 4.439 14.192 1169 2HB LEU 38 2HB LEU 38 15.022 5.512 13.291 1170 HG LEU 38 HG LEU 38 16.142 5.119 15.907 1171 1HD1 LEU 38 1HD1 LEU 38 15.833 2.491 14.469 1172 2HD1 LEU 38 2HD1 LEU 38 16.376 2.812 16.133 1173 3HD1 LEU 38 3HD1 LEU 38 14.661 3.018 15.702 1174 1HD2 LEU 38 1HD2 LEU 38 18.093 4.698 14.740 1175 2HD2 LEU 38 2HD2 LEU 38 17.244 3.919 13.383 1176 3HD2 LEU 38 3HD2 LEU 38 17.169 5.686 13.583 1177 H VAL 39 H VAL 39 11.835 6.444 13.780 1178 HA VAL 39 HA VAL 39 12.445 8.342 11.810 1179 HB VAL 39 HB VAL 39 9.813 7.349 12.920 1180 1HG1 VAL 39 1HG1 VAL 39 8.954 9.084 11.757 1181 2HG1 VAL 39 2HG1 VAL 39 10.446 9.330 10.818 1182 3HG1 VAL 39 3HG1 VAL 39 9.292 8.063 10.338 1183 1HG2 VAL 39 1HG2 VAL 39 9.951 5.568 11.523 1184 2HG2 VAL 39 2HG2 VAL 39 10.804 6.485 10.258 1185 3HG2 VAL 39 3HG2 VAL 39 11.700 5.867 11.667 1186 H ASN 40 H ASN 40 11.437 8.585 15.181 1187 HA ASN 40 HA ASN 40 10.353 11.154 14.992 1188 1HB ASN 40 1HB ASN 40 9.846 9.786 16.941 1189 2HB ASN 40 2HB ASN 40 11.544 9.538 17.295 1190 1HD2 ASN 40 1HD2 ASN 40 11.700 10.400 19.262 1191 2HD2 ASN 40 2HD2 ASN 40 11.388 12.053 19.675 1192 H LEU 41 H LEU 41 13.619 9.768 15.630 1193 HA LEU 41 HA LEU 41 14.783 12.296 16.270 1194 1HB LEU 41 1HB LEU 41 15.423 9.657 16.691 1195 2HB LEU 41 2HB LEU 41 16.562 10.119 15.442 1196 HG LEU 41 HG LEU 41 17.532 10.387 17.655 1197 1HD1 LEU 41 1HD1 LEU 41 18.722 11.997 16.704 1198 2HD1 LEU 41 2HD1 LEU 41 17.346 12.465 15.675 1199 3HD1 LEU 41 3HD1 LEU 41 17.533 13.184 17.293 1200 1HD2 LEU 41 1HD2 LEU 41 16.304 12.631 18.767 1201 2HD2 LEU 41 2HD2 LEU 41 14.958 11.581 18.263 1202 3HD2 LEU 41 3HD2 LEU 41 16.216 10.953 19.354 1203 H ILE 42 H ILE 42 14.995 10.015 13.450 1204 HA ILE 42 HA ILE 42 16.620 11.430 11.834 1205 HB ILE 42 HB ILE 42 14.162 9.809 11.201 1206 1HG1 ILE 42 1HG1 ILE 42 17.069 9.080 10.815 1207 2HG1 ILE 42 2HG1 ILE 42 16.237 8.804 12.332 1208 1HG2 ILE 42 1HG2 ILE 42 14.635 11.443 9.376 1209 2HG2 ILE 42 2HG2 ILE 42 16.255 10.724 9.213 1210 3HG2 ILE 42 3HG2 ILE 42 14.808 9.738 8.894 1211 1HD1 ILE 42 1HD1 ILE 42 15.699 6.795 11.358 1212 2HD1 ILE 42 2HD1 ILE 42 14.399 7.747 10.601 1213 3HD1 ILE 42 3HD1 ILE 42 15.905 7.427 9.707 1214 H GLU 43 H GLU 43 16.678 13.541 11.301 1215 HA GLU 43 HA GLU 43 14.515 15.219 11.683 1216 1HB GLU 43 1HB GLU 43 17.265 15.406 10.701 1217 2HB GLU 43 2HB GLU 43 16.210 16.469 9.793 1218 1HG GLU 43 1HG GLU 43 15.275 17.196 12.139 1219 2HG GLU 43 2HG GLU 43 16.717 16.441 12.789 1220 HA PRO 44 HA PRO 44 13.890 14.856 6.992 1221 1HB PRO 44 1HB PRO 44 15.226 12.934 5.581 1222 2HB PRO 44 2HB PRO 44 15.779 14.593 5.701 1223 1HG PRO 44 1HG PRO 44 16.831 12.187 7.058 1224 2HG PRO 44 2HG PRO 44 17.604 13.742 6.826 1225 1HD PRO 44 1HD PRO 44 16.412 12.762 9.243 1226 2HD PRO 44 2HD PRO 44 17.080 14.359 8.978 1227 H MET 45 H MET 45 12.056 14.115 8.396 1228 HA MET 45 HA MET 45 11.116 11.715 7.152 1229 1HB MET 45 1HB MET 45 12.080 11.847 9.970 1230 2HB MET 45 2HB MET 45 10.454 11.210 9.835 1231 1HG MET 45 1HG MET 45 12.693 10.168 8.055 1232 2HG MET 45 2HG MET 45 12.455 9.531 9.670 1233 1HE MET 45 1HE MET 45 12.595 7.917 7.393 1234 2HE MET 45 2HE MET 45 11.632 6.819 8.411 1235 3HE MET 45 3HE MET 45 11.112 7.175 6.746 1236 H LYS 46 H LYS 46 8.820 11.212 8.605 1237 HA LYS 46 HA LYS 46 7.539 13.795 9.023 1238 1HB LYS 46 1HB LYS 46 7.330 12.739 6.572 1239 2HB LYS 46 2HB LYS 46 6.054 11.822 7.346 1240 1HG LYS 46 1HG LYS 46 4.677 13.615 7.223 1241 2HG LYS 46 2HG LYS 46 5.771 14.534 8.238 1242 1HD LYS 46 1HD LYS 46 6.616 15.714 6.470 1243 2HD LYS 46 2HD LYS 46 6.750 14.288 5.460 1244 1HE LYS 46 1HE LYS 46 5.094 15.504 4.324 1245 2HE LYS 46 2HE LYS 46 4.118 14.434 5.310 1246 1HZ LYS 46 1HZ LYS 46 4.712 17.257 5.770 1247 2HZ LYS 46 2HZ LYS 46 3.256 16.526 5.672 1248 3HZ LYS 46 3HZ LYS 46 4.194 16.304 6.990 1249 H ALA 47 H ALA 47 6.633 10.285 8.731 1250 HA ALA 47 HA ALA 47 6.349 9.963 11.513 1251 1HB ALA 47 1HB ALA 47 4.386 11.132 11.681 1252 2HB ALA 47 2HB ALA 47 3.996 10.937 9.956 1253 3HB ALA 47 3HB ALA 47 3.702 9.598 11.092 1254 H PHE 48 H PHE 48 5.578 7.755 12.032 1255 HA PHE 48 HA PHE 48 6.059 6.006 9.743 1256 1HB PHE 48 1HB PHE 48 7.165 6.124 12.257 1257 2HB PHE 48 2HB PHE 48 5.795 5.094 12.623 1258 HD1 PHE 48 HD1 PHE 48 8.114 5.261 9.695 1259 HD2 PHE 48 HD2 PHE 48 6.505 2.917 12.846 1260 HE1 PHE 48 HE1 PHE 48 9.390 3.266 8.863 1261 HE2 PHE 48 HE2 PHE 48 7.782 0.922 12.014 1262 HZ PHE 48 HZ PHE 48 9.209 1.120 10.032 1263 H HIS 49 H HIS 49 4.576 4.446 9.077 1264 HA HIS 49 HA HIS 49 2.138 4.224 10.658 1265 1HB HIS 49 1HB HIS 49 2.387 5.537 8.081 1266 2HB HIS 49 2HB HIS 49 1.305 4.163 7.974 1267 HD1 HIS 49 HD1 HIS 49 0.945 7.563 8.309 1268 HD2 HIS 49 HD2 HIS 49 -0.409 4.390 10.695 1269 HE1 HIS 49 HE1 HIS 49 -1.031 8.467 9.646 1270 HE2 HIS 49 HE2 HIS 49 -1.855 6.457 11.053 1271 H TRP 50 H TRP 50 1.174 2.164 10.588 1272 HA TRP 50 HA TRP 50 2.324 0.225 8.748 1273 1HB TRP 50 1HB TRP 50 2.967 -1.321 10.418 1274 2HB TRP 50 2HB TRP 50 3.761 0.201 10.768 1275 HD1 TRP 50 HD1 TRP 50 2.328 1.731 12.786 1276 HE1 TRP 50 HE1 TRP 50 1.281 0.921 15.069 1277 HE3 TRP 50 HE3 TRP 50 2.002 -3.177 11.498 1278 HZ2 TRP 50 HZ2 TRP 50 0.453 -1.625 16.057 1279 HZ3 TRP 50 HZ3 TRP 50 1.063 -4.759 13.180 1280 HH2 TRP 50 HH2 TRP 50 0.303 -4.053 15.393 1281 H GLY 51 H GLY 51 0.977 -1.839 8.815 1282 1HA GLY 51 1HA GLY 51 -1.593 -1.681 10.124 1283 2HA GLY 51 2HA GLY 51 -1.660 -1.428 8.391 1284 H LYS 52 H LYS 52 -2.565 -3.722 10.242 1285 HA LYS 52 HA LYS 52 -1.051 -5.860 8.916 1286 1HB LYS 52 1HB LYS 52 -1.540 -7.275 10.771 1287 2HB LYS 52 2HB LYS 52 -0.902 -5.774 11.409 1288 1HG LYS 52 1HG LYS 52 -2.746 -5.833 12.767 1289 2HG LYS 52 2HG LYS 52 -3.575 -5.165 11.375 1290 1HD LYS 52 1HD LYS 52 -4.764 -7.155 12.321 1291 2HD LYS 52 2HD LYS 52 -4.296 -7.394 10.649 1292 1HE LYS 52 1HE LYS 52 -2.680 -8.986 11.173 1293 2HE LYS 52 2HE LYS 52 -2.303 -8.259 12.722 1294 1HZ LYS 52 1HZ LYS 52 -3.930 -10.395 12.286 1295 2HZ LYS 52 2HZ LYS 52 -3.748 -9.586 13.693 1296 3HZ LYS 52 3HZ LYS 52 -4.959 -9.187 12.673 1297 H ASP 53 H ASP 53 -2.200 -7.543 7.870 1298 HA ASP 53 HA ASP 53 -4.521 -6.707 6.623 1299 1HB ASP 53 1HB ASP 53 -4.511 -8.851 5.561 1300 2HB ASP 53 2HB ASP 53 -2.826 -8.466 5.848 1301 H VAL 54 H VAL 54 -6.703 -6.946 7.221 1302 HA VAL 54 HA VAL 54 -7.239 -8.027 9.827 1303 HB VAL 54 HB VAL 54 -9.540 -7.248 9.329 1304 1HG1 VAL 54 1HG1 VAL 54 -7.290 -5.769 9.935 1305 2HG1 VAL 54 2HG1 VAL 54 -8.004 -4.857 8.584 1306 3HG1 VAL 54 3HG1 VAL 54 -8.971 -5.194 10.040 1307 1HG2 VAL 54 1HG2 VAL 54 -10.253 -6.765 7.267 1308 2HG2 VAL 54 2HG2 VAL 54 -8.879 -5.671 6.981 1309 3HG2 VAL 54 3HG2 VAL 54 -8.712 -7.412 6.655 1310 H SER 55 H SER 55 -9.335 -9.462 10.012 1311 HA SER 55 HA SER 55 -8.788 -11.919 9.194 1312 1HB SER 55 1HB SER 55 -11.189 -10.502 10.106 1313 2HB SER 55 2HB SER 55 -11.605 -11.842 9.057 1314 HG SER 55 HG SER 55 -11.451 -12.496 11.296 1315 H ILE 56 H ILE 56 -8.279 -12.640 7.153 1316 HA ILE 56 HA ILE 56 -10.036 -11.742 4.975 1317 HB ILE 56 HB ILE 56 -8.136 -12.029 3.480 1318 1HG1 ILE 56 1HG1 ILE 56 -5.835 -12.119 4.835 1319 2HG1 ILE 56 2HG1 ILE 56 -6.811 -13.045 5.957 1320 1HG2 ILE 56 1HG2 ILE 56 -7.605 -9.895 3.804 1321 2HG2 ILE 56 2HG2 ILE 56 -8.564 -9.962 5.302 1322 3HG2 ILE 56 3HG2 ILE 56 -6.809 -10.254 5.356 1323 1HD1 ILE 56 1HD1 ILE 56 -7.600 -14.210 3.616 1324 2HD1 ILE 56 2HD1 ILE 56 -5.942 -13.728 3.184 1325 3HD1 ILE 56 3HD1 ILE 56 -6.223 -14.792 4.583 1326 H GLU 57 H GLU 57 -9.188 -14.297 7.026 1327 HA GLU 57 HA GLU 57 -9.303 -16.484 6.903 1328 1HB GLU 57 1HB GLU 57 -11.795 -15.482 5.534 1329 2HB GLU 57 2HB GLU 57 -11.518 -17.212 5.584 1330 1HG GLU 57 1HG GLU 57 -11.999 -17.338 7.811 1331 2HG GLU 57 2HG GLU 57 -10.992 -15.955 8.194 1332 H ASN 58 H ASN 58 -7.259 -16.417 5.508 1333 HA ASN 58 HA ASN 58 -6.074 -17.198 3.870 1334 1HB ASN 58 1HB ASN 58 -7.733 -19.212 4.278 1335 2HB ASN 58 2HB ASN 58 -8.480 -18.716 2.773 1336 1HD2 ASN 58 1HD2 ASN 58 -7.847 -19.883 1.141 1337 2HD2 ASN 58 2HD2 ASN 58 -6.256 -20.493 0.831 1338 H LEU 59 H LEU 59 -5.581 -15.595 2.353 1339 HA LEU 59 HA LEU 59 -6.688 -15.465 -0.119 1340 1HB LEU 59 1HB LEU 59 -8.474 -14.310 1.769 1341 2HB LEU 59 2HB LEU 59 -7.810 -13.007 0.803 1342 HG LEU 59 HG LEU 59 -9.126 -15.486 -0.342 1343 1HD1 LEU 59 1HD1 LEU 59 -10.343 -13.290 0.951 1344 2HD1 LEU 59 2HD1 LEU 59 -10.611 -13.068 -0.795 1345 3HD1 LEU 59 3HD1 LEU 59 -11.119 -14.578 -0.001 1346 1HD2 LEU 59 1HD2 LEU 59 -8.274 -14.850 -2.286 1347 2HD2 LEU 59 2HD2 LEU 59 -9.168 -13.316 -2.156 1348 3HD2 LEU 59 3HD2 LEU 59 -7.507 -13.435 -1.526 1349 H HIS 60 H HIS 60 -4.160 -15.394 1.115 1350 HA HIS 60 HA HIS 60 -3.243 -12.851 0.070 1351 1HB HIS 60 1HB HIS 60 -1.932 -12.283 1.971 1352 2HB HIS 60 2HB HIS 60 -3.576 -12.542 2.521 1353 HD1 HIS 60 HD1 HIS 60 -0.093 -13.815 2.903 1354 HD2 HIS 60 HD2 HIS 60 -3.961 -14.942 4.070 1355 HE1 HIS 60 HE1 HIS 60 0.195 -15.586 4.717 1356 HE2 HIS 60 HE2 HIS 60 -2.215 -16.200 5.433 1357 H GLN 61 H GLN 61 -0.800 -12.894 -0.259 1358 HA GLN 61 HA GLN 61 -0.115 -15.598 -1.059 1359 1HB GLN 61 1HB GLN 61 0.135 -13.044 -2.310 1360 2HB GLN 61 2HB GLN 61 1.768 -13.584 -1.975 1361 1HG GLN 61 1HG GLN 61 0.886 -14.352 -4.215 1362 2HG GLN 61 2HG GLN 61 1.425 -15.664 -3.186 1363 1HE2 GLN 61 1HE2 GLN 61 -1.299 -13.999 -4.574 1364 2HE2 GLN 61 2HE2 GLN 61 -2.514 -15.194 -4.260 1365 H GLY 62 H GLY 62 0.672 -13.043 1.207 1366 1HA GLY 62 1HA GLY 62 1.970 -14.174 3.107 1367 2HA GLY 62 2HA GLY 62 3.226 -14.341 1.897 1368 H TYR 63 H TYR 63 0.879 -11.640 2.521 1369 HA TYR 63 HA TYR 63 2.961 -9.712 2.216 1370 1HB TYR 63 1HB TYR 63 0.004 -9.831 3.014 1371 2HB TYR 63 2HB TYR 63 0.863 -8.308 3.127 1372 HD1 TYR 63 HD1 TYR 63 -0.136 -10.988 0.739 1373 HD2 TYR 63 HD2 TYR 63 1.200 -6.952 1.213 1374 HE1 TYR 63 HE1 TYR 63 -0.591 -10.541 -1.722 1375 HE2 TYR 63 HE2 TYR 63 0.741 -6.518 -1.250 1376 HH TYR 63 HH TYR 63 0.023 -9.094 -3.430 1377 H THR 64 H THR 64 1.078 -11.099 4.965 1378 HA THR 64 HA THR 64 1.457 -11.082 7.157 1379 HB THR 64 HB THR 64 4.226 -9.919 6.756 1380 HG1 THR 64 HG1 THR 64 3.128 -12.534 5.994 1381 1HG2 THR 64 1HG2 THR 64 3.445 -10.829 9.007 1382 2HG2 THR 64 2HG2 THR 64 3.217 -12.411 8.222 1383 3HG2 THR 64 3HG2 THR 64 4.844 -11.697 8.332 1384 H HIS 65 H HIS 65 3.224 -8.151 5.939 1385 HA HIS 65 HA HIS 65 1.215 -6.466 7.032 1386 1HB HIS 65 1HB HIS 65 3.922 -6.341 8.379 1387 2HB HIS 65 2HB HIS 65 2.498 -5.390 8.753 1388 HD1 HIS 65 HD1 HIS 65 3.859 -8.922 9.066 1389 HD2 HIS 65 HD2 HIS 65 0.674 -6.592 10.487 1390 HE1 HIS 65 HE1 HIS 65 2.739 -10.288 10.907 1391 HE2 HIS 65 HE2 HIS 65 0.824 -8.783 11.779 1392 H ILE 66 H ILE 66 2.078 -4.046 6.868 1393 HA ILE 66 HA ILE 66 4.039 -3.841 4.722 1394 HB ILE 66 HB ILE 66 2.613 -2.465 3.368 1395 1HG1 ILE 66 1HG1 ILE 66 0.046 -2.981 4.603 1396 2HG1 ILE 66 2HG1 ILE 66 1.098 -2.139 5.723 1397 1HG2 ILE 66 1HG2 ILE 66 1.185 -4.137 2.468 1398 2HG2 ILE 66 2HG2 ILE 66 2.613 -4.972 3.125 1399 3HG2 ILE 66 3HG2 ILE 66 1.080 -4.986 4.029 1400 1HD1 ILE 66 1HD1 ILE 66 0.335 -0.288 4.589 1401 2HD1 ILE 66 2HD1 ILE 66 1.642 -0.717 3.459 1402 3HD1 ILE 66 3HD1 ILE 66 -0.031 -1.216 3.115 1403 H PHE 67 H PHE 67 5.321 -2.017 4.881 1404 HA PHE 67 HA PHE 67 4.733 -0.340 7.206 1405 1HB PHE 67 1HB PHE 67 7.223 -1.099 5.581 1406 2HB PHE 67 2HB PHE 67 7.272 0.216 6.739 1407 HD1 PHE 67 HD1 PHE 67 5.929 -3.278 6.737 1408 HD2 PHE 67 HD2 PHE 67 8.281 -0.355 8.719 1409 HE1 PHE 67 HE1 PHE 67 6.414 -4.916 8.576 1410 HE2 PHE 67 HE2 PHE 67 8.766 -1.993 10.558 1411 HZ PHE 67 HZ PHE 67 7.827 -4.253 10.465 1412 H GLU 68 H GLU 68 4.047 1.719 6.876 1413 HA GLU 68 HA GLU 68 4.590 2.830 4.234 1414 1HB GLU 68 1HB GLU 68 2.172 2.440 4.786 1415 2HB GLU 68 2HB GLU 68 2.324 3.522 6.156 1416 1HG GLU 68 1HG GLU 68 3.349 4.737 3.671 1417 2HG GLU 68 2HG GLU 68 1.670 4.257 3.523 1418 H SER 69 H SER 69 5.770 4.718 4.093 1419 HA SER 69 HA SER 69 6.290 6.044 6.640 1420 1HB SER 69 1HB SER 69 8.179 4.714 5.251 1421 2HB SER 69 2HB SER 69 8.264 6.231 4.378 1422 HG SER 69 HG SER 69 8.752 5.742 7.174 1423 H THR 70 H THR 70 5.534 8.128 6.708 1424 HA THR 70 HA THR 70 4.579 9.338 4.273 1425 HB THR 70 HB THR 70 4.569 10.063 7.241 1426 HG1 THR 70 HG1 THR 70 2.720 9.243 5.120 1427 1HG2 THR 70 1HG2 THR 70 4.577 12.129 5.667 1428 2HG2 THR 70 2HG2 THR 70 3.051 11.492 5.010 1429 3HG2 THR 70 3HG2 THR 70 3.157 11.954 6.725 1430 H PHE 71 H PHE 71 5.586 10.759 2.990 1431 HA PHE 71 HA PHE 71 7.978 12.041 4.106 1432 1HB PHE 71 1HB PHE 71 7.390 10.737 1.388 1433 2HB PHE 71 2HB PHE 71 8.747 11.825 1.601 1434 HD1 PHE 71 HD1 PHE 71 7.863 8.492 1.506 1435 HD2 PHE 71 HD2 PHE 71 10.232 11.179 3.781 1436 HE1 PHE 71 HE1 PHE 71 9.276 6.575 2.299 1437 HE2 PHE 71 HE2 PHE 71 11.645 9.263 4.574 1438 HZ PHE 71 HZ PHE 71 11.150 6.983 3.823 1439 H GLU 72 H GLU 72 8.650 14.012 2.711 1440 HA GLU 72 HA GLU 72 6.207 15.480 2.200 1441 1HB GLU 72 1HB GLU 72 7.615 17.495 2.400 1442 2HB GLU 72 2HB GLU 72 7.820 16.458 3.797 1443 1HG GLU 72 1HG GLU 72 10.011 15.966 3.287 1444 2HG GLU 72 2HG GLU 72 9.703 15.880 1.564 1445 H SER 73 H SER 73 8.813 13.876 0.577 1446 HA SER 73 HA SER 73 7.736 14.383 -1.914 1447 1HB SER 73 1HB SER 73 9.184 16.592 -1.104 1448 2HB SER 73 2HB SER 73 10.412 15.682 -1.962 1449 HG SER 73 HG SER 73 8.534 17.236 -3.035 1450 H LYS 74 H LYS 74 9.641 13.771 -3.693 1451 HA LYS 74 HA LYS 74 10.552 11.211 -2.799 1452 1HB LYS 74 1HB LYS 74 11.193 10.878 -5.108 1453 2HB LYS 74 2HB LYS 74 9.580 11.556 -5.031 1454 1HG LYS 74 1HG LYS 74 10.840 13.885 -5.239 1455 2HG LYS 74 2HG LYS 74 12.161 12.912 -5.856 1456 1HD LYS 74 1HD LYS 74 9.341 12.646 -6.973 1457 2HD LYS 74 2HD LYS 74 10.449 13.864 -7.574 1458 1HE LYS 74 1HE LYS 74 12.049 12.184 -8.298 1459 2HE LYS 74 2HE LYS 74 11.200 10.911 -7.443 1460 1HZ LYS 74 1HZ LYS 74 10.581 10.786 -9.682 1461 2HZ LYS 74 2HZ LYS 74 9.284 11.421 -8.919 1462 3HZ LYS 74 3HZ LYS 74 10.265 12.384 -9.800 1463 H GLU 75 H GLU 75 11.883 14.465 -3.228 1464 HA GLU 75 HA GLU 75 14.551 13.741 -3.396 1465 1HB GLU 75 1HB GLU 75 13.240 16.257 -2.280 1466 2HB GLU 75 2HB GLU 75 14.959 16.107 -2.582 1467 1HG GLU 75 1HG GLU 75 14.271 15.406 -5.011 1468 2HG GLU 75 2HG GLU 75 12.691 16.048 -4.607 1469 H ALA 76 H ALA 76 12.304 14.064 -0.647 1470 HA ALA 76 HA ALA 76 14.343 14.037 1.338 1471 1HB ALA 76 1HB ALA 76 12.530 14.005 2.872 1472 2HB ALA 76 2HB ALA 76 11.940 14.951 1.484 1473 3HB ALA 76 3HB ALA 76 11.433 13.257 1.687 1474 H VAL 77 H VAL 77 12.443 11.619 -0.467 1475 HA VAL 77 HA VAL 77 12.900 9.443 1.212 1476 HB VAL 77 HB VAL 77 12.226 9.854 -1.672 1477 1HG1 VAL 77 1HG1 VAL 77 13.398 7.392 -0.502 1478 2HG1 VAL 77 2HG1 VAL 77 11.919 7.168 -1.467 1479 3HG1 VAL 77 3HG1 VAL 77 13.344 7.952 -2.191 1480 1HG2 VAL 77 1HG2 VAL 77 10.658 9.880 0.466 1481 2HG2 VAL 77 2HG2 VAL 77 10.115 9.171 -1.073 1482 3HG2 VAL 77 3HG2 VAL 77 10.703 8.116 0.234 1483 H ALA 78 H ALA 78 14.938 11.117 -1.174 1484 HA ALA 78 HA ALA 78 16.863 9.017 -1.325 1485 1HB ALA 78 1HB ALA 78 16.731 10.441 -3.205 1486 2HB ALA 78 2HB ALA 78 16.716 11.912 -2.203 1487 3HB ALA 78 3HB ALA 78 18.214 10.965 -2.372 1488 H GLU 79 H GLU 79 16.401 12.031 0.580 1489 HA GLU 79 HA GLU 79 18.938 12.029 1.707 1490 1HB GLU 79 1HB GLU 79 16.341 13.385 2.170 1491 2HB GLU 79 2HB GLU 79 17.329 13.242 3.610 1492 1HG GLU 79 1HG GLU 79 18.468 14.271 0.978 1493 2HG GLU 79 2HG GLU 79 17.689 15.341 2.127 1494 H TYR 80 H TYR 80 15.839 10.470 2.654 1495 HA TYR 80 HA TYR 80 16.771 9.580 5.176 1496 1HB TYR 80 1HB TYR 80 14.381 9.768 4.687 1497 2HB TYR 80 2HB TYR 80 14.553 8.912 3.168 1498 HD1 TYR 80 HD1 TYR 80 15.544 8.099 6.704 1499 HD2 TYR 80 HD2 TYR 80 13.369 6.922 3.212 1500 HE1 TYR 80 HE1 TYR 80 14.872 5.928 7.845 1501 HE2 TYR 80 HE2 TYR 80 12.705 4.756 4.365 1502 HH TYR 80 HH TYR 80 12.412 4.006 6.752 1503 H ILE 81 H ILE 81 16.345 7.950 1.957 1504 HA ILE 81 HA ILE 81 17.287 5.468 2.798 1505 HB ILE 81 HB ILE 81 17.028 6.848 0.148 1506 1HG1 ILE 81 1HG1 ILE 81 15.647 4.465 1.417 1507 2HG1 ILE 81 2HG1 ILE 81 14.988 6.081 1.257 1508 1HG2 ILE 81 1HG2 ILE 81 17.696 4.806 -0.995 1509 2HG2 ILE 81 2HG2 ILE 81 19.036 5.442 -0.011 1510 3HG2 ILE 81 3HG2 ILE 81 18.098 4.043 0.562 1511 1HD1 ILE 81 1HD1 ILE 81 15.159 3.930 -0.743 1512 2HD1 ILE 81 2HD1 ILE 81 14.131 5.384 -0.729 1513 3HD1 ILE 81 3HD1 ILE 81 15.795 5.476 -1.355 1514 H ALA 82 H ALA 82 18.979 8.348 1.430 1515 HA ALA 82 HA ALA 82 21.485 7.161 1.196 1516 1HB ALA 82 1HB ALA 82 22.293 9.497 1.166 1517 2HB ALA 82 2HB ALA 82 20.830 9.307 0.169 1518 3HB ALA 82 3HB ALA 82 20.717 10.050 1.782 1519 H HIS 83 H HIS 83 19.663 8.378 3.986 1520 HA HIS 83 HA HIS 83 21.746 8.806 5.737 1521 1HB HIS 83 1HB HIS 83 19.020 8.954 5.831 1522 2HB HIS 83 2HB HIS 83 19.308 7.567 6.863 1523 HD1 HIS 83 HD1 HIS 83 20.774 7.976 9.051 1524 HD2 HIS 83 HD2 HIS 83 19.720 11.431 6.918 1525 HE1 HIS 83 HE1 HIS 83 21.211 9.944 10.616 1526 HE2 HIS 83 HE2 HIS 83 20.597 12.042 9.231 1527 HA PRO 84 HA PRO 84 23.264 4.761 6.245 1528 1HB PRO 84 1HB PRO 84 25.157 5.290 8.145 1529 2HB PRO 84 2HB PRO 84 25.430 5.522 6.429 1530 1HG PRO 84 1HG PRO 84 24.939 7.554 8.519 1531 2HG PRO 84 2HG PRO 84 25.624 7.767 6.920 1532 1HD PRO 84 1HD PRO 84 22.959 8.430 7.749 1533 2HD PRO 84 2HD PRO 84 23.608 8.534 6.124 1534 H ALA 85 H ALA 85 22.300 6.676 9.005 1535 HA ALA 85 HA ALA 85 22.205 4.631 10.862 1536 1HB ALA 85 1HB ALA 85 20.853 6.129 12.136 1537 2HB ALA 85 2HB ALA 85 21.930 7.160 11.164 1538 3HB ALA 85 3HB ALA 85 20.234 6.933 10.673 1539 H HIS 86 H HIS 86 19.825 5.670 8.362 1540 HA HIS 86 HA HIS 86 17.864 3.822 9.252 1541 1HB HIS 86 1HB HIS 86 16.878 5.575 8.176 1542 2HB HIS 86 2HB HIS 86 18.188 5.769 7.028 1543 HD1 HIS 86 HD1 HIS 86 17.028 5.591 4.804 1544 HD2 HIS 86 HD2 HIS 86 15.923 2.516 7.435 1545 HE1 HIS 86 HE1 HIS 86 15.564 3.991 3.460 1546 HE2 HIS 86 HE2 HIS 86 14.961 2.095 5.114 1547 H VAL 87 H VAL 87 20.400 3.890 6.694 1548 HA VAL 87 HA VAL 87 19.644 1.519 5.435 1549 HB VAL 87 HB VAL 87 22.096 3.207 5.625 1550 1HG1 VAL 87 1HG1 VAL 87 23.332 1.661 4.137 1551 2HG1 VAL 87 2HG1 VAL 87 23.033 0.961 5.747 1552 3HG1 VAL 87 3HG1 VAL 87 22.048 0.448 4.356 1553 1HG2 VAL 87 1HG2 VAL 87 19.955 3.313 4.006 1554 2HG2 VAL 87 2HG2 VAL 87 21.583 3.816 3.490 1555 3HG2 VAL 87 3HG2 VAL 87 20.970 2.202 3.055 1556 H GLU 88 H GLU 88 21.931 2.180 8.163 1557 HA GLU 88 HA GLU 88 22.855 -0.377 8.443 1558 1HB GLU 88 1HB GLU 88 23.459 1.907 9.651 1559 2HB GLU 88 2HB GLU 88 22.329 1.350 10.869 1560 1HG GLU 88 1HG GLU 88 24.026 0.126 11.749 1561 2HG GLU 88 2HG GLU 88 23.895 -0.926 10.354 1562 H PHE 89 H PHE 89 19.874 1.170 9.751 1563 HA PHE 89 HA PHE 89 19.158 -1.127 11.275 1564 1HB PHE 89 1HB PHE 89 18.395 1.631 10.864 1565 2HB PHE 89 2HB PHE 89 16.969 0.678 10.504 1566 HD1 PHE 89 HD1 PHE 89 19.370 1.605 13.121 1567 HD2 PHE 89 HD2 PHE 89 15.804 -0.520 12.240 1568 HE1 PHE 89 HE1 PHE 89 18.880 1.409 15.575 1569 HE2 PHE 89 HE2 PHE 89 15.314 -0.716 14.694 1570 HZ PHE 89 HZ PHE 89 16.859 0.250 16.332 1571 H ALA 90 H ALA 90 18.286 0.251 8.060 1572 HA ALA 90 HA ALA 90 16.176 -1.521 7.546 1573 1HB ALA 90 1HB ALA 90 16.196 -0.573 5.403 1574 2HB ALA 90 2HB ALA 90 16.928 0.709 6.398 1575 3HB ALA 90 3HB ALA 90 17.962 -0.350 5.410 1576 H THR 91 H THR 91 19.722 -1.760 7.261 1577 HA THR 91 HA THR 91 19.694 -4.086 5.624 1578 HB THR 91 HB THR 91 21.759 -2.694 7.399 1579 HG1 THR 91 HG1 THR 91 21.138 -1.615 5.431 1580 1HG2 THR 91 1HG2 THR 91 23.350 -4.068 5.819 1581 2HG2 THR 91 2HG2 THR 91 22.678 -4.896 7.244 1582 3HG2 THR 91 3HG2 THR 91 21.964 -5.170 5.636 1583 H ILE 92 H ILE 92 19.922 -3.510 9.178 1584 HA ILE 92 HA ILE 92 20.208 -6.275 9.744 1585 HB ILE 92 HB ILE 92 19.626 -3.813 11.365 1586 1HG1 ILE 92 1HG1 ILE 92 21.942 -5.628 11.841 1587 2HG1 ILE 92 2HG1 ILE 92 21.958 -4.691 10.360 1588 1HG2 ILE 92 1HG2 ILE 92 18.346 -5.651 12.371 1589 2HG2 ILE 92 2HG2 ILE 92 19.822 -6.643 12.433 1590 3HG2 ILE 92 3HG2 ILE 92 19.712 -5.150 13.397 1591 1HD1 ILE 92 1HD1 ILE 92 21.233 -2.705 12.025 1592 2HD1 ILE 92 2HD1 ILE 92 22.056 -3.746 13.211 1593 3HD1 ILE 92 3HD1 ILE 92 22.940 -3.149 11.786 1594 H PHE 93 H PHE 93 17.497 -4.060 9.184 1595 HA PHE 93 HA PHE 93 15.516 -5.610 10.412 1596 1HB PHE 93 1HB PHE 93 15.314 -3.211 9.690 1597 2HB PHE 93 2HB PHE 93 15.549 -3.678 8.017 1598 HD1 PHE 93 HD1 PHE 93 13.253 -4.350 10.881 1599 HD2 PHE 93 HD2 PHE 93 13.691 -3.985 6.676 1600 HE1 PHE 93 HE1 PHE 93 10.771 -4.600 10.601 1601 HE2 PHE 93 HE2 PHE 93 11.209 -4.235 6.396 1602 HZ PHE 93 HZ PHE 93 9.779 -4.540 8.362 1603 H LEU 94 H LEU 94 16.745 -5.469 7.005 1604 HA LEU 94 HA LEU 94 14.917 -7.258 5.934 1605 1HB LEU 94 1HB LEU 94 16.115 -7.060 4.044 1606 2HB LEU 94 2HB LEU 94 16.769 -5.684 4.910 1607 HG LEU 94 HG LEU 94 18.547 -7.531 5.707 1608 1HD1 LEU 94 1HD1 LEU 94 17.067 -8.972 3.823 1609 2HD1 LEU 94 2HD1 LEU 94 18.570 -8.519 2.983 1610 3HD1 LEU 94 3HD1 LEU 94 18.645 -9.408 4.523 1611 1HD2 LEU 94 1HD2 LEU 94 19.509 -6.744 3.175 1612 2HD2 LEU 94 2HD2 LEU 94 18.443 -5.435 3.741 1613 3HD2 LEU 94 3HD2 LEU 94 19.804 -5.974 4.753 1614 H GLY 95 H GLY 95 17.746 -7.741 7.997 1615 1HA GLY 95 1HA GLY 95 18.151 -10.491 7.406 1616 2HA GLY 95 2HA GLY 95 18.737 -9.602 8.798 1617 H SER 96 H SER 96 15.517 -8.881 8.846 1618 HA SER 96 HA SER 96 14.966 -11.213 10.508 1619 1HB SER 96 1HB SER 96 15.089 -9.048 11.738 1620 2HB SER 96 2HB SER 96 13.834 -8.386 10.708 1621 HG SER 96 HG SER 96 13.240 -9.369 12.914 1622 H LEU 97 H LEU 97 13.746 -8.932 8.020 1623 HA LEU 97 HA LEU 97 11.238 -10.352 7.824 1624 1HB LEU 97 1HB LEU 97 12.425 -7.945 6.461 1625 2HB LEU 97 2HB LEU 97 10.937 -8.683 5.903 1626 HG LEU 97 HG LEU 97 10.617 -6.705 7.379 1627 1HD1 LEU 97 1HD1 LEU 97 9.486 -9.194 8.666 1628 2HD1 LEU 97 2HD1 LEU 97 8.754 -7.577 8.543 1629 3HD1 LEU 97 3HD1 LEU 97 8.939 -8.583 7.086 1630 1HD2 LEU 97 1HD2 LEU 97 12.571 -7.195 8.867 1631 2HD2 LEU 97 2HD2 LEU 97 11.066 -6.784 9.724 1632 3HD2 LEU 97 3HD2 LEU 97 11.600 -8.479 9.626 1633 H ASP 98 H ASP 98 10.886 -12.089 6.549 1634 HA ASP 98 HA ASP 98 12.892 -13.359 5.245 1635 1HB ASP 98 1HB ASP 98 11.228 -14.889 5.112 1636 2HB ASP 98 2HB ASP 98 10.074 -13.664 5.603 1637 H LYS 99 H LYS 99 10.172 -11.397 3.797 1638 HA LYS 99 HA LYS 99 11.900 -10.951 1.463 1639 1HB LYS 99 1HB LYS 99 8.958 -11.495 1.707 1640 2HB LYS 99 2HB LYS 99 9.537 -10.505 0.383 1641 1HG LYS 99 1HG LYS 99 11.351 -12.547 0.242 1642 2HG LYS 99 2HG LYS 99 9.990 -13.419 0.918 1643 1HD LYS 99 1HD LYS 99 9.979 -11.771 -1.653 1644 2HD LYS 99 2HD LYS 99 9.912 -13.519 -1.544 1645 1HE LYS 99 1HE LYS 99 7.800 -12.377 0.102 1646 2HE LYS 99 2HE LYS 99 7.719 -11.680 -1.503 1647 1HZ LYS 99 1HZ LYS 99 6.719 -13.556 -2.051 1648 2HZ LYS 99 2HZ LYS 99 8.169 -14.301 -1.957 1649 3HZ LYS 99 3HZ LYS 99 7.152 -14.328 -0.679 1650 H VAL 100 H VAL 100 11.546 -8.809 0.367 1651 HA VAL 100 HA VAL 100 10.356 -6.764 2.013 1652 HB VAL 100 HB VAL 100 12.578 -5.462 1.870 1653 1HG1 VAL 100 1HG1 VAL 100 12.847 -5.860 4.088 1654 2HG1 VAL 100 2HG1 VAL 100 11.335 -6.776 3.883 1655 3HG1 VAL 100 3HG1 VAL 100 12.898 -7.626 3.878 1656 1HG2 VAL 100 1HG2 VAL 100 14.608 -6.843 2.004 1657 2HG2 VAL 100 2HG2 VAL 100 13.638 -8.303 1.696 1658 3HG2 VAL 100 3HG2 VAL 100 13.782 -7.050 0.440 1659 H LEU 101 H LEU 101 9.250 -5.502 0.616 1660 HA LEU 101 HA LEU 101 10.472 -5.039 -2.005 1661 1HB LEU 101 1HB LEU 101 8.333 -6.729 -1.609 1662 2HB LEU 101 2HB LEU 101 7.550 -5.217 -2.023 1663 HG LEU 101 HG LEU 101 8.008 -6.790 -3.937 1664 1HD1 LEU 101 1HD1 LEU 101 7.908 -4.081 -3.875 1665 2HD1 LEU 101 2HD1 LEU 101 9.483 -4.335 -4.664 1666 3HD1 LEU 101 3HD1 LEU 101 8.012 -5.051 -5.364 1667 1HD2 LEU 101 1HD2 LEU 101 10.477 -7.097 -2.885 1668 2HD2 LEU 101 2HD2 LEU 101 10.072 -7.419 -4.588 1669 3HD2 LEU 101 3HD2 LEU 101 10.815 -5.868 -4.128 1670 H VAL 102 H VAL 102 10.558 -2.913 -2.555 1671 HA VAL 102 HA VAL 102 9.126 -1.082 -0.773 1672 HB VAL 102 HB VAL 102 11.373 -0.600 -0.625 1673 1HG1 VAL 102 1HG1 VAL 102 12.470 -1.978 -2.129 1674 2HG1 VAL 102 2HG1 VAL 102 11.511 -1.411 -3.517 1675 3HG1 VAL 102 3HG1 VAL 102 12.780 -0.371 -2.827 1676 1HG2 VAL 102 1HG2 VAL 102 11.043 1.207 -2.960 1677 2HG2 VAL 102 2HG2 VAL 102 9.768 1.280 -1.720 1678 3HG2 VAL 102 3HG2 VAL 102 11.464 1.574 -1.270 1679 H ILE 103 H ILE 103 7.403 0.040 -1.530 1680 HA ILE 103 HA ILE 103 7.257 0.503 -4.407 1681 HB ILE 103 HB ILE 103 5.150 -0.856 -2.732 1682 1HG1 ILE 103 1HG1 ILE 103 6.873 -2.330 -3.661 1683 2HG1 ILE 103 2HG1 ILE 103 5.306 -2.625 -4.389 1684 1HG2 ILE 103 1HG2 ILE 103 3.796 -0.760 -4.888 1685 2HG2 ILE 103 2HG2 ILE 103 3.919 0.743 -3.942 1686 3HG2 ILE 103 3HG2 ILE 103 4.910 0.528 -5.405 1687 1HD1 ILE 103 1HD1 ILE 103 6.618 -0.587 -5.947 1688 2HD1 ILE 103 2HD1 ILE 103 7.764 -1.926 -5.700 1689 3HD1 ILE 103 3HD1 ILE 103 6.175 -2.239 -6.440 1690 H ASP 104 H ASP 104 5.926 2.346 -4.979 1691 HA ASP 104 HA ASP 104 5.499 4.062 -2.660 1692 1HB ASP 104 1HB ASP 104 7.128 4.483 -4.906 1693 2HB ASP 104 2HB ASP 104 5.679 5.386 -5.300 1694 H TYR 105 H TYR 105 3.490 5.276 -2.630 1695 HA TYR 105 HA TYR 105 1.595 4.527 -4.755 1696 1HB TYR 105 1HB TYR 105 1.188 3.434 -2.520 1697 2HB TYR 105 2HB TYR 105 1.310 4.989 -1.722 1698 HD1 TYR 105 HD1 TYR 105 -0.919 2.604 -3.079 1699 HD2 TYR 105 HD2 TYR 105 -0.433 6.817 -2.513 1700 HE1 TYR 105 HE1 TYR 105 -3.428 2.933 -3.322 1701 HE2 TYR 105 HE2 TYR 105 -2.943 7.132 -2.758 1702 HH TYR 105 HH TYR 105 -4.971 4.624 -3.903 1703 H LYS 106 H LYS 106 0.869 6.230 -5.921 1704 HA LYS 106 HA LYS 106 0.763 8.821 -4.544 1705 1HB LYS 106 1HB LYS 106 2.230 8.054 -6.979 1706 2HB LYS 106 2HB LYS 106 1.221 9.472 -7.180 1707 1HG LYS 106 1HG LYS 106 2.266 10.253 -4.887 1708 2HG LYS 106 2HG LYS 106 3.491 9.042 -5.211 1709 1HD LYS 106 1HD LYS 106 3.371 10.318 -7.656 1710 2HD LYS 106 2HD LYS 106 2.991 11.645 -6.577 1711 1HE LYS 106 1HE LYS 106 5.101 11.675 -5.638 1712 2HE LYS 106 2HE LYS 106 5.267 9.931 -5.688 1713 1HZ LYS 106 1HZ LYS 106 6.740 10.971 -7.240 1714 2HZ LYS 106 2HZ LYS 106 5.628 10.107 -8.068 1715 3HZ LYS 106 3HZ LYS 106 5.510 11.734 -7.996 1716 HA PRO 107 HA PRO 107 -3.306 8.879 -5.985 1717 1HB PRO 107 1HB PRO 107 -3.873 11.550 -5.864 1718 2HB PRO 107 2HB PRO 107 -3.897 10.500 -4.460 1719 1HG PRO 107 1HG PRO 107 -1.871 12.507 -5.239 1720 2HG PRO 107 2HG PRO 107 -2.140 11.768 -3.672 1721 1HD PRO 107 1HD PRO 107 -0.057 11.127 -5.537 1722 2HD PRO 107 2HD PRO 107 -0.396 10.312 -4.024 1723 H THR 108 H THR 108 -3.317 8.041 -8.032 1724 HA THR 108 HA THR 108 -3.039 10.127 -10.097 1725 HB THR 108 HB THR 108 -2.213 7.186 -10.026 1726 HG1 THR 108 HG1 THR 108 -0.184 8.289 -10.484 1727 1HG2 THR 108 1HG2 THR 108 -2.162 7.089 -12.318 1728 2HG2 THR 108 2HG2 THR 108 -3.291 8.464 -12.289 1729 3HG2 THR 108 3HG2 THR 108 -1.541 8.753 -12.439 1730 H SER 109 H SER 109 -5.384 10.478 -9.388 1731 HA SER 109 HA SER 109 -7.124 8.414 -10.381 1732 1HB SER 109 1HB SER 109 -7.434 10.916 -8.752 1733 2HB SER 109 2HB SER 109 -8.826 10.406 -9.686 1734 HG SER 109 HG SER 109 -9.062 9.335 -7.756 1735 H VAL 110 H VAL 110 -8.820 8.901 -12.022 1736 HA VAL 110 HA VAL 110 -7.745 10.693 -14.047 1737 HB VAL 110 HB VAL 110 -9.859 8.534 -14.085 1738 1HG1 VAL 110 1HG1 VAL 110 -9.136 9.133 -16.722 1739 2HG1 VAL 110 2HG1 VAL 110 -10.681 9.509 -15.921 1740 3HG1 VAL 110 3HG1 VAL 110 -9.374 10.717 -15.946 1741 1HG2 VAL 110 1HG2 VAL 110 -6.953 8.635 -14.659 1742 2HG2 VAL 110 2HG2 VAL 110 -7.979 7.275 -14.142 1743 3HG2 VAL 110 3HG2 VAL 110 -7.945 7.765 -15.853 1744 H SER 111 H SER 111 -8.892 12.453 -14.908 1745 HA SER 111 HA SER 111 -10.662 13.659 -13.093 1746 1HB SER 111 1HB SER 111 -10.875 15.034 -15.548 1747 2HB SER 111 2HB SER 111 -9.828 15.439 -14.202 1748 HG SER 111 HG SER 111 -8.834 15.044 -16.432 1749 H LEU 112 H LEU 112 -12.902 13.645 -13.033 1750 HA LEU 112 HA LEU 112 -14.286 12.628 -15.403 1751 1HB LEU 112 1HB LEU 112 -15.747 11.284 -13.944 1752 2HB LEU 112 2HB LEU 112 -14.091 10.716 -14.018 1753 HG LEU 112 HG LEU 112 -13.768 12.064 -11.811 1754 1HD1 LEU 112 1HD1 LEU 112 -15.943 11.992 -10.454 1755 2HD1 LEU 112 2HD1 LEU 112 -15.737 13.314 -11.627 1756 3HD1 LEU 112 3HD1 LEU 112 -16.772 11.923 -12.027 1757 1HD2 LEU 112 1HD2 LEU 112 -15.193 9.951 -10.734 1758 2HD2 LEU 112 2HD2 LEU 112 -14.765 9.377 -12.364 1759 3HD2 LEU 112 3HD2 LEU 112 -13.490 9.926 -11.250 Start of MODEL 5 1 1H GLY 1 1H GLY 1 -26.881 17.395 -9.584 2 1HA GLY 1 1HA GLY 1 -25.190 18.961 -9.546 3 2HA GLY 1 2HA GLY 1 -25.659 18.913 -7.858 4 H SER 2 H SER 2 -23.720 19.213 -6.783 5 HA SER 2 HA SER 2 -21.846 17.046 -7.048 6 1HB SER 2 1HB SER 2 -21.171 19.952 -7.601 7 2HB SER 2 2HB SER 2 -19.944 18.852 -7.002 8 HG SER 2 HG SER 2 -21.138 17.539 -9.001 9 H HIS 3 H HIS 3 -20.423 16.866 -5.136 10 HA HIS 3 HA HIS 3 -20.621 18.736 -3.037 11 1HB HIS 3 1HB HIS 3 -21.876 17.440 -1.424 12 2HB HIS 3 2HB HIS 3 -22.871 17.801 -2.821 13 HD1 HIS 3 HD1 HIS 3 -24.339 15.856 -3.326 14 HD2 HIS 3 HD2 HIS 3 -20.525 14.650 -2.062 15 HE1 HIS 3 HE1 HIS 3 -24.331 13.306 -3.410 16 HE2 HIS 3 HE2 HIS 3 -21.945 12.625 -2.675 17 H MET 4 H MET 4 -19.446 17.866 -1.030 18 HA MET 4 HA MET 4 -17.721 15.642 -1.741 19 1HB MET 4 1HB MET 4 -16.889 18.461 -0.889 20 2HB MET 4 2HB MET 4 -15.803 17.098 -0.702 21 1HG MET 4 1HG MET 4 -15.210 17.233 -2.889 22 2HG MET 4 2HG MET 4 -16.875 16.994 -3.381 23 1HE MET 4 1HE MET 4 -17.164 18.673 -5.401 24 2HE MET 4 2HE MET 4 -18.425 18.629 -4.146 25 3HE MET 4 3HE MET 4 -17.897 20.189 -4.823 26 H GLU 5 H GLU 5 -16.633 14.645 0.149 27 HA GLU 5 HA GLU 5 -17.952 15.396 2.640 28 1HB GLU 5 1HB GLU 5 -18.316 12.989 1.202 29 2HB GLU 5 2HB GLU 5 -17.244 12.558 2.520 30 1HG GLU 5 1HG GLU 5 -18.857 12.890 4.121 31 2HG GLU 5 2HG GLU 5 -19.484 14.328 3.341 32 H GLU 6 H GLU 6 -16.632 15.486 4.475 33 HA GLU 6 HA GLU 6 -13.824 15.325 3.901 34 1HB GLU 6 1HB GLU 6 -15.553 16.614 5.952 35 2HB GLU 6 2HB GLU 6 -14.002 16.061 6.551 36 1HG GLU 6 1HG GLU 6 -12.913 17.269 4.569 37 2HG GLU 6 2HG GLU 6 -14.483 17.958 4.210 38 H ALA 7 H ALA 7 -12.659 13.490 4.254 39 HA ALA 7 HA ALA 7 -12.032 11.527 5.058 40 1HB ALA 7 1HB ALA 7 -13.436 12.466 7.593 41 2HB ALA 7 2HB ALA 7 -12.221 11.169 7.484 42 3HB ALA 7 3HB ALA 7 -11.760 12.853 7.134 43 H LYS 8 H LYS 8 -12.813 9.319 5.743 44 HA LYS 8 HA LYS 8 -15.713 9.056 5.470 45 1HB LYS 8 1HB LYS 8 -13.629 7.637 3.791 46 2HB LYS 8 2HB LYS 8 -15.286 7.088 3.937 47 1HG LYS 8 1HG LYS 8 -15.550 8.449 2.085 48 2HG LYS 8 2HG LYS 8 -15.819 9.658 3.324 49 1HD LYS 8 1HD LYS 8 -13.071 9.741 3.133 50 2HD LYS 8 2HD LYS 8 -13.491 9.308 1.488 51 1HE LYS 8 1HE LYS 8 -15.269 11.265 1.702 52 2HE LYS 8 2HE LYS 8 -14.272 11.791 3.044 53 1HZ LYS 8 1HZ LYS 8 -13.422 12.831 1.169 54 2HZ LYS 8 2HZ LYS 8 -12.371 11.611 1.438 55 3HZ LYS 8 3HZ LYS 8 -13.478 11.486 0.244 56 H GLY 9 H GLY 9 -12.995 6.674 5.547 57 1HA GLY 9 1HA GLY 9 -14.231 5.085 7.516 58 2HA GLY 9 2HA GLY 9 -12.568 4.987 6.971 59 HA PRO 10 HA PRO 10 -11.347 6.968 6.627 60 1HB PRO 10 1HB PRO 10 -8.731 7.398 7.289 61 2HB PRO 10 2HB PRO 10 -9.895 8.692 7.094 62 1HG PRO 10 1HG PRO 10 -8.769 7.572 9.587 63 2HG PRO 10 2HG PRO 10 -9.581 9.105 9.342 64 1HD PRO 10 1HD PRO 10 -10.690 6.748 10.542 65 2HD PRO 10 2HD PRO 10 -11.535 8.242 10.192 66 H VAL 11 H VAL 11 -10.907 5.360 5.246 67 HA VAL 11 HA VAL 11 -9.231 3.232 6.339 68 HB VAL 11 HB VAL 11 -12.065 3.046 5.424 69 1HG1 VAL 11 1HG1 VAL 11 -11.237 1.647 3.757 70 2HG1 VAL 11 2HG1 VAL 11 -9.898 1.057 4.772 71 3HG1 VAL 11 3HG1 VAL 11 -11.563 0.512 5.089 72 1HG2 VAL 11 1HG2 VAL 11 -11.257 2.893 7.841 73 2HG2 VAL 11 2HG2 VAL 11 -12.311 1.579 7.267 74 3HG2 VAL 11 3HG2 VAL 11 -10.555 1.318 7.398 75 H LYS 12 H LYS 12 -7.807 2.372 4.843 76 HA LYS 12 HA LYS 12 -8.186 3.258 2.072 77 1HB LYS 12 1HB LYS 12 -5.671 3.443 3.749 78 2HB LYS 12 2HB LYS 12 -5.663 3.534 2.000 79 1HG LYS 12 1HG LYS 12 -7.733 5.301 2.985 80 2HG LYS 12 2HG LYS 12 -6.264 5.625 3.884 81 1HD LYS 12 1HD LYS 12 -4.998 5.890 1.756 82 2HD LYS 12 2HD LYS 12 -6.441 5.514 0.835 83 1HE LYS 12 1HE LYS 12 -7.169 7.604 2.655 84 2HE LYS 12 2HE LYS 12 -5.622 8.063 1.971 85 1HZ LYS 12 1HZ LYS 12 -6.504 8.235 -0.071 86 2HZ LYS 12 2HZ LYS 12 -7.577 7.020 0.125 87 3HZ LYS 12 3HZ LYS 12 -7.891 8.495 0.751 88 H HIS 13 H HIS 13 -8.520 1.480 0.859 89 HA HIS 13 HA HIS 13 -7.432 -1.029 1.813 90 1HB HIS 13 1HB HIS 13 -9.801 -0.879 1.153 91 2HB HIS 13 2HB HIS 13 -9.329 -0.414 -0.470 92 HD1 HIS 13 HD1 HIS 13 -9.490 -3.383 1.841 93 HD2 HIS 13 HD2 HIS 13 -8.368 -2.516 -2.106 94 HE1 HIS 13 HE1 HIS 13 -9.220 -5.631 0.664 95 HE2 HIS 13 HE2 HIS 13 -8.583 -5.032 -1.771 96 H VAL 14 H VAL 14 -5.819 -2.201 0.781 97 HA VAL 14 HA VAL 14 -4.683 -0.920 -1.608 98 HB VAL 14 HB VAL 14 -3.183 -2.290 0.632 99 1HG1 VAL 14 1HG1 VAL 14 -1.834 -0.489 -1.318 100 2HG1 VAL 14 2HG1 VAL 14 -1.255 -1.981 -0.537 101 3HG1 VAL 14 3HG1 VAL 14 -2.366 -2.076 -1.925 102 1HG2 VAL 14 1HG2 VAL 14 -4.336 0.010 1.091 103 2HG2 VAL 14 2HG2 VAL 14 -2.633 -0.228 1.550 104 3HG2 VAL 14 3HG2 VAL 14 -3.037 0.662 0.063 105 H LEU 15 H LEU 15 -4.904 -2.207 -3.357 106 HA LEU 15 HA LEU 15 -4.691 -5.097 -2.901 107 1HB LEU 15 1HB LEU 15 -7.034 -4.537 -3.144 108 2HB LEU 15 2HB LEU 15 -6.710 -3.652 -4.621 109 HG LEU 15 HG LEU 15 -5.936 -6.541 -4.516 110 1HD1 LEU 15 1HD1 LEU 15 -8.777 -5.744 -5.145 111 2HD1 LEU 15 2HD1 LEU 15 -8.096 -7.371 -4.905 112 3HD1 LEU 15 3HD1 LEU 15 -8.274 -6.268 -3.520 113 1HD2 LEU 15 1HD2 LEU 15 -5.660 -4.734 -6.447 114 2HD2 LEU 15 2HD2 LEU 15 -6.006 -6.446 -6.789 115 3HD2 LEU 15 3HD2 LEU 15 -7.323 -5.249 -6.817 116 H LEU 16 H LEU 16 -2.969 -5.898 -3.963 117 HA LEU 16 HA LEU 16 -2.064 -4.397 -6.318 118 1HB LEU 16 1HB LEU 16 0.037 -4.635 -5.639 119 2HB LEU 16 2HB LEU 16 -0.682 -4.905 -4.063 120 HG LEU 16 HG LEU 16 1.043 -6.545 -4.494 121 1HD1 LEU 16 1HD1 LEU 16 -0.580 -8.668 -4.517 122 2HD1 LEU 16 2HD1 LEU 16 -0.420 -7.590 -3.109 123 3HD1 LEU 16 3HD1 LEU 16 -1.794 -7.400 -4.225 124 1HD2 LEU 16 1HD2 LEU 16 1.372 -7.657 -6.412 125 2HD2 LEU 16 2HD2 LEU 16 -0.361 -7.993 -6.638 126 3HD2 LEU 16 3HD2 LEU 16 0.310 -6.416 -7.120 127 H ALA 17 H ALA 17 -1.452 -5.568 -8.224 128 HA ALA 17 HA ALA 17 -2.067 -8.401 -8.264 129 1HB ALA 17 1HB ALA 17 -4.252 -7.580 -8.723 130 2HB ALA 17 2HB ALA 17 -3.631 -6.281 -9.770 131 3HB ALA 17 3HB ALA 17 -3.557 -7.975 -10.314 132 H SER 18 H SER 18 -1.197 -9.455 -10.191 133 HA SER 18 HA SER 18 0.761 -7.739 -11.510 134 1HB SER 18 1HB SER 18 0.955 -10.639 -10.614 135 2HB SER 18 2HB SER 18 2.063 -9.962 -11.792 136 HG SER 18 HG SER 18 1.631 -8.657 -9.261 137 H PHE 19 H PHE 19 0.889 -7.856 -13.782 138 HA PHE 19 HA PHE 19 -1.289 -9.321 -15.025 139 1HB PHE 19 1HB PHE 19 0.656 -7.071 -15.707 140 2HB PHE 19 2HB PHE 19 -0.153 -7.897 -17.024 141 HD1 PHE 19 HD1 PHE 19 -2.805 -8.147 -16.629 142 HD2 PHE 19 HD2 PHE 19 -0.336 -5.154 -14.909 143 HE1 PHE 19 HE1 PHE 19 -4.810 -6.667 -16.326 144 HE2 PHE 19 HE2 PHE 19 -2.341 -3.675 -14.607 145 HZ PHE 19 HZ PHE 19 -4.554 -4.449 -15.319 146 H LYS 20 H LYS 20 -0.946 -11.304 -15.896 147 HA LYS 20 HA LYS 20 1.505 -12.536 -16.003 148 1HB LYS 20 1HB LYS 20 -1.158 -13.195 -16.534 149 2HB LYS 20 2HB LYS 20 -0.334 -13.501 -18.050 150 1HG LYS 20 1HG LYS 20 1.365 -14.888 -16.865 151 2HG LYS 20 2HG LYS 20 0.584 -14.555 -15.332 152 1HD LYS 20 1HD LYS 20 -1.549 -15.486 -16.843 153 2HD LYS 20 2HD LYS 20 -0.223 -16.428 -17.497 154 1HE LYS 20 1HE LYS 20 -0.809 -16.182 -14.508 155 2HE LYS 20 2HE LYS 20 -1.397 -17.496 -15.507 156 1HZ LYS 20 1HZ LYS 20 1.021 -17.363 -14.291 157 2HZ LYS 20 2HZ LYS 20 0.576 -18.448 -15.428 158 3HZ LYS 20 3HZ LYS 20 1.374 -17.090 -15.862 159 H ASP 21 H ASP 21 2.244 -13.541 -18.349 160 HA ASP 21 HA ASP 21 2.843 -11.142 -19.886 161 1HB ASP 21 1HB ASP 21 4.490 -13.219 -18.820 162 2HB ASP 21 2HB ASP 21 4.484 -13.460 -20.556 163 H GLY 22 H GLY 22 1.913 -11.070 -21.941 164 1HA GLY 22 1HA GLY 22 1.849 -12.531 -24.021 165 2HA GLY 22 2HA GLY 22 0.859 -13.597 -23.044 166 H VAL 23 H VAL 23 -0.224 -11.062 -21.575 167 HA VAL 23 HA VAL 23 -2.443 -10.715 -23.363 168 HB VAL 23 HB VAL 23 -1.820 -9.531 -20.650 169 1HG1 VAL 23 1HG1 VAL 23 -4.436 -9.645 -22.191 170 2HG1 VAL 23 2HG1 VAL 23 -4.229 -9.046 -20.528 171 3HG1 VAL 23 3HG1 VAL 23 -3.459 -8.189 -21.885 172 1HG2 VAL 23 1HG2 VAL 23 -2.344 -12.185 -21.292 173 2HG2 VAL 23 2HG2 VAL 23 -2.529 -11.427 -19.693 174 3HG2 VAL 23 3HG2 VAL 23 -3.928 -11.550 -20.787 175 H SER 24 H SER 24 -2.646 -9.146 -24.873 176 HA SER 24 HA SER 24 -0.668 -7.472 -25.560 177 1HB SER 24 1HB SER 24 -3.658 -7.396 -25.942 178 2HB SER 24 2HB SER 24 -2.722 -6.011 -26.469 179 HG SER 24 HG SER 24 -1.511 -7.345 -27.878 180 HA PRO 25 HA PRO 25 -0.714 -4.205 -22.686 181 1HB PRO 25 1HB PRO 25 0.406 -2.174 -24.130 182 2HB PRO 25 2HB PRO 25 1.346 -3.450 -23.384 183 1HG PRO 25 1HG PRO 25 0.664 -3.077 -26.236 184 2HG PRO 25 2HG PRO 25 1.923 -4.071 -25.529 185 1HD PRO 25 1HD PRO 25 -0.587 -4.973 -26.585 186 2HD PRO 25 2HD PRO 25 0.621 -5.950 -25.774 187 H GLU 26 H GLU 26 -2.120 -3.517 -25.805 188 HA GLU 26 HA GLU 26 -3.422 -1.205 -24.985 189 1HB GLU 26 1HB GLU 26 -3.292 -2.884 -27.332 190 2HB GLU 26 2HB GLU 26 -4.977 -2.531 -27.003 191 1HG GLU 26 1HG GLU 26 -4.437 -0.087 -26.875 192 2HG GLU 26 2HG GLU 26 -2.754 -0.444 -27.212 193 H LYS 27 H LYS 27 -4.125 -4.652 -24.568 194 HA LYS 27 HA LYS 27 -6.878 -4.296 -23.958 195 1HB LYS 27 1HB LYS 27 -5.285 -6.425 -24.618 196 2HB LYS 27 2HB LYS 27 -5.491 -6.677 -22.896 197 1HG LYS 27 1HG LYS 27 -7.850 -6.077 -24.729 198 2HG LYS 27 2HG LYS 27 -7.278 -7.712 -24.462 199 1HD LYS 27 1HD LYS 27 -7.466 -6.623 -21.864 200 2HD LYS 27 2HD LYS 27 -8.872 -5.985 -22.692 201 1HE LYS 27 1HE LYS 27 -8.107 -8.944 -22.676 202 2HE LYS 27 2HE LYS 27 -9.258 -8.227 -21.565 203 1HZ LYS 27 1HZ LYS 27 -10.785 -8.063 -23.165 204 2HZ LYS 27 2HZ LYS 27 -9.725 -7.655 -24.339 205 3HZ LYS 27 3HZ LYS 27 -9.914 -9.222 -23.918 206 H ILE 28 H ILE 28 -3.803 -4.223 -22.152 207 HA ILE 28 HA ILE 28 -4.899 -4.446 -19.593 208 HB ILE 28 HB ILE 28 -2.387 -3.087 -20.573 209 1HG1 ILE 28 1HG1 ILE 28 -2.634 -5.814 -19.296 210 2HG1 ILE 28 2HG1 ILE 28 -2.776 -5.589 -21.028 211 1HG2 ILE 28 1HG2 ILE 28 -2.687 -4.101 -17.778 212 2HG2 ILE 28 2HG2 ILE 28 -1.662 -2.797 -18.425 213 3HG2 ILE 28 3HG2 ILE 28 -3.407 -2.528 -18.197 214 1HD1 ILE 28 1HD1 ILE 28 -0.492 -4.098 -20.383 215 2HD1 ILE 28 2HD1 ILE 28 -0.375 -5.530 -19.332 216 3HD1 ILE 28 3HD1 ILE 28 -0.510 -5.729 -21.096 217 H GLU 29 H GLU 29 -4.288 -1.609 -21.739 218 HA GLU 29 HA GLU 29 -5.102 0.247 -19.807 219 1HB GLU 29 1HB GLU 29 -3.908 0.339 -22.325 220 2HB GLU 29 2HB GLU 29 -5.478 1.056 -22.625 221 1HG GLU 29 1HG GLU 29 -4.409 2.082 -20.117 222 2HG GLU 29 2HG GLU 29 -3.213 2.277 -21.383 223 H GLU 30 H GLU 30 -6.764 -1.383 -22.573 224 HA GLU 30 HA GLU 30 -9.118 0.006 -22.438 225 1HB GLU 30 1HB GLU 30 -8.200 -2.598 -23.525 226 2HB GLU 30 2HB GLU 30 -9.918 -2.541 -23.183 227 1HG GLU 30 1HG GLU 30 -8.944 -0.085 -24.512 228 2HG GLU 30 2HG GLU 30 -8.665 -1.524 -25.472 229 H LEU 31 H LEU 31 -7.940 -2.782 -20.509 230 HA LEU 31 HA LEU 31 -10.431 -3.272 -19.255 231 1HB LEU 31 1HB LEU 31 -7.940 -4.506 -19.440 232 2HB LEU 31 2HB LEU 31 -8.083 -4.078 -17.746 233 HG LEU 31 HG LEU 31 -10.330 -5.509 -19.151 234 1HD1 LEU 31 1HD1 LEU 31 -8.746 -7.071 -19.675 235 2HD1 LEU 31 2HD1 LEU 31 -7.693 -6.632 -18.309 236 3HD1 LEU 31 3HD1 LEU 31 -9.162 -7.596 -18.025 237 1HD2 LEU 31 1HD2 LEU 31 -9.499 -4.998 -16.321 238 2HD2 LEU 31 2HD2 LEU 31 -11.101 -4.872 -17.087 239 3HD2 LEU 31 3HD2 LEU 31 -10.419 -6.472 -16.705 240 H ILE 32 H ILE 32 -7.418 -1.512 -18.268 241 HA ILE 32 HA ILE 32 -8.392 -0.722 -15.778 242 HB ILE 32 HB ILE 32 -6.274 0.377 -17.614 243 1HG1 ILE 32 1HG1 ILE 32 -6.153 -1.267 -15.069 244 2HG1 ILE 32 2HG1 ILE 32 -5.854 -1.850 -16.695 245 1HG2 ILE 32 1HG2 ILE 32 -5.523 1.852 -15.910 246 2HG2 ILE 32 2HG2 ILE 32 -7.261 2.163 -16.136 247 3HG2 ILE 32 3HG2 ILE 32 -6.701 1.212 -14.739 248 1HD1 ILE 32 1HD1 ILE 32 -3.733 -1.341 -15.489 249 2HD1 ILE 32 2HD1 ILE 32 -3.927 -0.316 -16.931 250 3HD1 ILE 32 3HD1 ILE 32 -4.251 0.353 -15.314 251 H LYS 33 H LYS 33 -8.743 0.651 -19.066 252 HA LYS 33 HA LYS 33 -9.854 3.095 -18.193 253 1HB LYS 33 1HB LYS 33 -9.382 1.687 -20.743 254 2HB LYS 33 2HB LYS 33 -10.782 2.741 -20.750 255 1HG LYS 33 1HG LYS 33 -8.042 3.629 -19.739 256 2HG LYS 33 2HG LYS 33 -8.561 3.844 -21.399 257 1HD LYS 33 1HD LYS 33 -10.103 4.921 -18.993 258 2HD LYS 33 2HD LYS 33 -8.940 5.866 -19.900 259 1HE LYS 33 1HE LYS 33 -10.528 4.891 -21.945 260 2HE LYS 33 2HE LYS 33 -11.702 5.035 -20.652 261 1HZ LYS 33 1HZ LYS 33 -11.170 7.300 -20.402 262 2HZ LYS 33 2HZ LYS 33 -9.868 7.206 -21.383 263 3HZ LYS 33 3HZ LYS 33 -11.371 7.058 -22.004 264 H GLY 34 H GLY 34 -11.133 -0.168 -18.838 265 1HA GLY 34 1HA GLY 34 -13.885 0.655 -18.814 266 2HA GLY 34 2HA GLY 34 -13.252 -0.979 -18.788 267 H TYR 35 H TYR 35 -11.483 -0.624 -16.456 268 HA TYR 35 HA TYR 35 -13.270 -1.305 -14.437 269 1HB TYR 35 1HB TYR 35 -10.578 -1.433 -14.924 270 2HB TYR 35 2HB TYR 35 -10.570 0.008 -13.927 271 HD1 TYR 35 HD1 TYR 35 -11.239 -0.105 -11.543 272 HD2 TYR 35 HD2 TYR 35 -11.012 -3.620 -13.972 273 HE1 TYR 35 HE1 TYR 35 -11.248 -1.557 -9.456 274 HE2 TYR 35 HE2 TYR 35 -11.021 -5.060 -11.877 275 HH TYR 35 HH TYR 35 -10.480 -4.879 -9.569 276 H ALA 36 H ALA 36 -11.500 1.799 -15.070 277 HA ALA 36 HA ALA 36 -12.405 3.141 -12.821 278 1HB ALA 36 1HB ALA 36 -10.562 3.887 -14.284 279 2HB ALA 36 2HB ALA 36 -11.726 4.206 -15.593 280 3HB ALA 36 3HB ALA 36 -11.787 5.165 -14.095 281 H ASN 37 H ASN 37 -13.937 2.484 -15.985 282 HA ASN 37 HA ASN 37 -16.030 4.323 -15.553 283 1HB ASN 37 1HB ASN 37 -15.158 3.249 -17.793 284 2HB ASN 37 2HB ASN 37 -16.170 1.881 -17.375 285 1HD2 ASN 37 1HD2 ASN 37 -17.565 2.135 -19.060 286 2HD2 ASN 37 2HD2 ASN 37 -18.713 3.426 -19.191 287 H LEU 38 H LEU 38 -15.350 0.887 -14.857 288 HA LEU 38 HA LEU 38 -17.997 0.075 -14.377 289 1HB LEU 38 1HB LEU 38 -15.346 -1.015 -14.262 290 2HB LEU 38 2HB LEU 38 -16.205 -1.439 -12.794 291 HG LEU 38 HG LEU 38 -16.415 -3.166 -14.517 292 1HD1 LEU 38 1HD1 LEU 38 -18.338 -2.347 -12.853 293 2HD1 LEU 38 2HD1 LEU 38 -19.183 -2.083 -14.397 294 3HD1 LEU 38 3HD1 LEU 38 -18.557 -3.698 -13.991 295 1HD2 LEU 38 1HD2 LEU 38 -16.241 -1.785 -16.511 296 2HD2 LEU 38 2HD2 LEU 38 -17.724 -2.768 -16.560 297 3HD2 LEU 38 3HD2 LEU 38 -17.817 -1.037 -16.157 298 H VAL 39 H VAL 39 -15.353 1.250 -12.194 299 HA VAL 39 HA VAL 39 -16.894 1.077 -9.860 300 HB VAL 39 HB VAL 39 -15.152 2.447 -8.882 301 1HG1 VAL 39 1HG1 VAL 39 -13.391 0.893 -10.631 302 2HG1 VAL 39 2HG1 VAL 39 -13.716 0.725 -8.889 303 3HG1 VAL 39 3HG1 VAL 39 -14.805 -0.034 -10.074 304 1HG2 VAL 39 1HG2 VAL 39 -13.367 3.451 -10.204 305 2HG2 VAL 39 2HG2 VAL 39 -14.124 2.876 -11.708 306 3HG2 VAL 39 3HG2 VAL 39 -14.945 4.101 -10.711 307 H ASN 40 H ASN 40 -16.602 3.517 -12.441 308 HA ASN 40 HA ASN 40 -17.686 5.642 -11.072 309 1HB ASN 40 1HB ASN 40 -16.652 5.937 -13.274 310 2HB ASN 40 2HB ASN 40 -17.804 4.850 -14.024 311 1HD2 ASN 40 1HD2 ASN 40 -19.086 5.938 -15.297 312 2HD2 ASN 40 2HD2 ASN 40 -19.882 7.438 -14.957 313 H LEU 41 H LEU 41 -19.153 2.919 -12.942 314 HA LEU 41 HA LEU 41 -21.802 3.903 -12.780 315 1HB LEU 41 1HB LEU 41 -20.497 2.005 -14.236 316 2HB LEU 41 2HB LEU 41 -21.380 1.006 -13.099 317 HG LEU 41 HG LEU 41 -23.454 2.400 -13.799 318 1HD1 LEU 41 1HD1 LEU 41 -23.139 4.040 -15.257 319 2HD1 LEU 41 2HD1 LEU 41 -21.432 3.582 -15.475 320 3HD1 LEU 41 3HD1 LEU 41 -22.693 2.823 -16.477 321 1HD2 LEU 41 1HD2 LEU 41 -22.327 -0.005 -14.702 322 2HD2 LEU 41 2HD2 LEU 41 -24.022 0.522 -14.836 323 3HD2 LEU 41 3HD2 LEU 41 -22.883 0.843 -16.165 324 H ILE 42 H ILE 42 -19.759 1.726 -10.787 325 HA ILE 42 HA ILE 42 -21.753 0.714 -9.160 326 HB ILE 42 HB ILE 42 -18.864 1.341 -8.543 327 1HG1 ILE 42 1HG1 ILE 42 -19.699 -0.284 -10.501 328 2HG1 ILE 42 2HG1 ILE 42 -18.263 -0.595 -9.546 329 1HG2 ILE 42 1HG2 ILE 42 -19.991 1.053 -6.462 330 2HG2 ILE 42 2HG2 ILE 42 -20.887 -0.359 -7.069 331 3HG2 ILE 42 3HG2 ILE 42 -19.128 -0.462 -6.818 332 1HD1 ILE 42 1HD1 ILE 42 -19.982 -2.530 -9.819 333 2HD1 ILE 42 2HD1 ILE 42 -19.357 -2.210 -8.184 334 3HD1 ILE 42 3HD1 ILE 42 -20.975 -1.630 -8.648 335 H GLU 43 H GLU 43 -23.321 1.945 -8.237 336 HA GLU 43 HA GLU 43 -23.309 4.534 -7.711 337 1HB GLU 43 1HB GLU 43 -24.795 2.225 -6.778 338 2HB GLU 43 2HB GLU 43 -24.617 3.360 -5.455 339 1HG GLU 43 1HG GLU 43 -25.581 4.166 -8.238 340 2HG GLU 43 2HG GLU 43 -26.666 3.735 -6.932 341 HA PRO 44 HA PRO 44 -21.244 3.893 -3.495 342 1HB PRO 44 1HB PRO 44 -20.300 1.432 -2.773 343 2HB PRO 44 2HB PRO 44 -21.877 2.031 -2.298 344 1HG PRO 44 1HG PRO 44 -21.202 0.014 -4.352 345 2HG PRO 44 2HG PRO 44 -22.743 0.314 -3.572 346 1HD PRO 44 1HD PRO 44 -21.981 1.096 -6.224 347 2HD PRO 44 2HD PRO 44 -23.476 1.496 -5.403 348 H MET 45 H MET 45 -19.653 5.251 -4.153 349 HA MET 45 HA MET 45 -17.123 4.062 -4.317 350 1HB MET 45 1HB MET 45 -18.526 4.075 -6.758 351 2HB MET 45 2HB MET 45 -17.563 5.535 -6.867 352 1HG MET 45 1HG MET 45 -16.560 2.688 -6.424 353 2HG MET 45 2HG MET 45 -16.233 3.729 -7.795 354 1HE MET 45 1HE MET 45 -13.730 2.887 -7.269 355 2HE MET 45 2HE MET 45 -12.815 3.351 -5.814 356 3HE MET 45 3HE MET 45 -14.128 2.155 -5.696 357 H LYS 46 H LYS 46 -16.125 5.539 -3.006 358 HA LYS 46 HA LYS 46 -16.943 8.264 -2.985 359 1HB LYS 46 1HB LYS 46 -15.932 6.703 -1.104 360 2HB LYS 46 2HB LYS 46 -14.402 7.300 -1.716 361 1HG LYS 46 1HG LYS 46 -15.036 8.834 0.013 362 2HG LYS 46 2HG LYS 46 -15.354 9.674 -1.491 363 1HD LYS 46 1HD LYS 46 -17.733 8.210 -0.904 364 2HD LYS 46 2HD LYS 46 -17.224 8.920 0.615 365 1HE LYS 46 1HE LYS 46 -17.063 11.165 -0.494 366 2HE LYS 46 2HE LYS 46 -17.587 10.450 -2.006 367 1HZ LYS 46 1HZ LYS 46 -19.613 10.883 -1.280 368 2HZ LYS 46 2HZ LYS 46 -19.450 9.645 -0.229 369 3HZ LYS 46 3HZ LYS 46 -19.132 11.172 0.254 370 H ALA 47 H ALA 47 -13.779 6.666 -3.811 371 HA ALA 47 HA ALA 47 -13.525 8.369 -6.108 372 1HB ALA 47 1HB ALA 47 -11.820 8.753 -3.626 373 2HB ALA 47 2HB ALA 47 -11.276 9.252 -5.246 374 3HB ALA 47 3HB ALA 47 -12.738 9.977 -4.535 375 H PHE 48 H PHE 48 -11.787 7.647 -7.514 376 HA PHE 48 HA PHE 48 -10.901 4.946 -6.789 377 1HB PHE 48 1HB PHE 48 -12.461 5.339 -8.795 378 2HB PHE 48 2HB PHE 48 -11.228 6.363 -9.503 379 HD1 PHE 48 HD1 PHE 48 -9.533 5.436 -10.826 380 HD2 PHE 48 HD2 PHE 48 -11.859 2.887 -8.356 381 HE1 PHE 48 HE1 PHE 48 -8.496 3.429 -11.919 382 HE2 PHE 48 HE2 PHE 48 -10.822 0.880 -9.450 383 HZ PHE 48 HZ PHE 48 -9.152 1.175 -11.219 384 H HIS 49 H HIS 49 -8.791 4.845 -6.190 385 HA HIS 49 HA HIS 49 -6.984 6.771 -7.458 386 1HB HIS 49 1HB HIS 49 -7.371 5.943 -4.703 387 2HB HIS 49 2HB HIS 49 -5.719 5.650 -5.209 388 HD1 HIS 49 HD1 HIS 49 -7.390 8.103 -3.456 389 HD2 HIS 49 HD2 HIS 49 -4.979 8.288 -6.883 390 HE1 HIS 49 HE1 HIS 49 -6.547 10.507 -3.608 391 HE2 HIS 49 HE2 HIS 49 -5.027 10.545 -5.702 392 H TRP 50 H TRP 50 -4.940 6.018 -8.251 393 HA TRP 50 HA TRP 50 -4.525 3.142 -8.235 394 1HB TRP 50 1HB TRP 50 -4.559 2.813 -10.522 395 2HB TRP 50 2HB TRP 50 -5.991 3.777 -10.221 396 HD1 TRP 50 HD1 TRP 50 -5.927 6.367 -11.135 397 HE1 TRP 50 HE1 TRP 50 -4.529 7.622 -12.988 398 HE3 TRP 50 HE3 TRP 50 -2.284 2.840 -11.520 399 HZ2 TRP 50 HZ2 TRP 50 -2.111 7.013 -14.376 400 HZ3 TRP 50 HZ3 TRP 50 -0.440 3.248 -13.148 401 HH2 TRP 50 HH2 TRP 50 -0.317 5.248 -14.547 402 H GLY 51 H GLY 51 -2.273 2.628 -8.927 403 1HA GLY 51 1HA GLY 51 -0.462 4.884 -9.243 404 2HA GLY 51 2HA GLY 51 -0.307 3.982 -7.748 405 H LYS 52 H LYS 52 1.645 4.213 -9.974 406 HA LYS 52 HA LYS 52 1.678 1.410 -10.852 407 1HB LYS 52 1HB LYS 52 2.858 2.078 -12.792 408 2HB LYS 52 2HB LYS 52 1.511 3.187 -12.630 409 1HG LYS 52 1HG LYS 52 2.921 4.949 -11.782 410 2HG LYS 52 2HG LYS 52 4.252 3.849 -11.482 411 1HD LYS 52 1HD LYS 52 3.143 4.490 -14.257 412 2HD LYS 52 2HD LYS 52 4.553 5.260 -13.557 413 1HE LYS 52 1HE LYS 52 5.504 2.852 -13.247 414 2HE LYS 52 2HE LYS 52 4.219 2.331 -14.318 415 1HZ LYS 52 1HZ LYS 52 6.554 3.902 -14.913 416 2HZ LYS 52 2HZ LYS 52 5.757 2.824 -15.846 417 3HZ LYS 52 3HZ LYS 52 5.190 4.348 -15.693 418 H ASP 53 H ASP 53 3.773 0.308 -10.828 419 HA ASP 53 HA ASP 53 5.039 0.581 -8.425 420 1HB ASP 53 1HB ASP 53 6.870 -0.828 -9.532 421 2HB ASP 53 2HB ASP 53 5.249 -1.487 -9.612 422 H VAL 54 H VAL 54 7.236 1.390 -7.895 423 HA VAL 54 HA VAL 54 8.026 3.586 -9.663 424 HB VAL 54 HB VAL 54 7.353 3.892 -7.207 425 1HG1 VAL 54 1HG1 VAL 54 10.197 3.107 -6.599 426 2HG1 VAL 54 2HG1 VAL 54 8.821 3.327 -5.491 427 3HG1 VAL 54 3HG1 VAL 54 8.893 1.897 -6.548 428 1HG2 VAL 54 1HG2 VAL 54 8.267 5.875 -7.662 429 2HG2 VAL 54 2HG2 VAL 54 9.838 5.239 -7.118 430 3HG2 VAL 54 3HG2 VAL 54 9.383 5.135 -8.836 431 H SER 55 H SER 55 9.728 3.239 -10.984 432 HA SER 55 HA SER 55 11.640 1.224 -10.094 433 1HB SER 55 1HB SER 55 10.420 1.853 -12.741 434 2HB SER 55 2HB SER 55 12.138 1.509 -12.785 435 HG SER 55 HG SER 55 10.173 -0.271 -12.701 436 H ILE 56 H ILE 56 13.033 2.641 -8.926 437 HA ILE 56 HA ILE 56 14.240 4.769 -10.553 438 HB ILE 56 HB ILE 56 12.930 5.057 -8.206 439 1HG1 ILE 56 1HG1 ILE 56 13.542 6.873 -9.669 440 2HG1 ILE 56 2HG1 ILE 56 14.065 7.242 -8.038 441 1HG2 ILE 56 1HG2 ILE 56 14.562 3.702 -6.971 442 2HG2 ILE 56 2HG2 ILE 56 15.858 4.820 -7.461 443 3HG2 ILE 56 3HG2 ILE 56 14.540 5.391 -6.410 444 1HD1 ILE 56 1HD1 ILE 56 16.374 6.574 -8.571 445 2HD1 ILE 56 2HD1 ILE 56 15.870 6.058 -10.198 446 3HD1 ILE 56 3HD1 ILE 56 15.810 7.780 -9.752 447 H GLU 57 H GLU 57 14.656 1.669 -9.121 448 HA GLU 57 HA GLU 57 17.240 1.462 -10.093 449 1HB GLU 57 1HB GLU 57 17.223 2.797 -7.633 450 2HB GLU 57 2HB GLU 57 17.584 1.142 -7.182 451 1HG GLU 57 1HG GLU 57 19.649 1.174 -8.188 452 2HG GLU 57 2HG GLU 57 19.073 2.073 -9.578 453 H ASN 58 H ASN 58 14.698 0.074 -10.163 454 HA ASN 58 HA ASN 58 13.798 -1.892 -9.952 455 1HB ASN 58 1HB ASN 58 16.203 -2.356 -11.024 456 2HB ASN 58 2HB ASN 58 16.523 -3.157 -9.498 457 1HD2 ASN 58 1HD2 ASN 58 14.940 -3.279 -12.526 458 2HD2 ASN 58 2HD2 ASN 58 14.188 -4.833 -12.387 459 H LEU 59 H LEU 59 12.768 -1.617 -7.860 460 HA LEU 59 HA LEU 59 14.074 -3.125 -5.733 461 1HB LEU 59 1HB LEU 59 13.618 -0.254 -5.753 462 2HB LEU 59 2HB LEU 59 12.797 -1.033 -4.416 463 HG LEU 59 HG LEU 59 15.691 -1.651 -4.945 464 1HD1 LEU 59 1HD1 LEU 59 15.680 0.338 -2.984 465 2HD1 LEU 59 2HD1 LEU 59 16.304 0.463 -4.646 466 3HD1 LEU 59 3HD1 LEU 59 14.636 0.966 -4.281 467 1HD2 LEU 59 1HD2 LEU 59 14.305 -1.395 -2.283 468 2HD2 LEU 59 2HD2 LEU 59 14.176 -2.877 -3.261 469 3HD2 LEU 59 3HD2 LEU 59 15.771 -2.310 -2.710 470 H HIS 60 H HIS 60 12.157 -4.101 -7.512 471 HA HIS 60 HA HIS 60 9.935 -4.408 -5.664 472 1HB HIS 60 1HB HIS 60 8.257 -4.013 -7.291 473 2HB HIS 60 2HB HIS 60 9.333 -2.630 -7.318 474 HD1 HIS 60 HD1 HIS 60 8.129 -5.495 -9.411 475 HD2 HIS 60 HD2 HIS 60 10.917 -2.372 -9.683 476 HE1 HIS 60 HE1 HIS 60 8.822 -5.367 -11.863 477 HE2 HIS 60 HE2 HIS 60 10.494 -3.395 -11.978 478 H GLN 61 H GLN 61 8.679 -6.410 -6.091 479 HA GLN 61 HA GLN 61 10.467 -8.384 -7.228 480 1HB GLN 61 1HB GLN 61 8.840 -8.306 -4.902 481 2HB GLN 61 2HB GLN 61 8.079 -9.479 -5.958 482 1HG GLN 61 1HG GLN 61 9.681 -10.999 -5.456 483 2HG GLN 61 2HG GLN 61 10.914 -9.935 -6.104 484 1HE2 GLN 61 1HE2 GLN 61 11.747 -8.230 -4.708 485 2HE2 GLN 61 2HE2 GLN 61 11.904 -8.511 -3.006 486 H GLY 62 H GLY 62 7.443 -6.705 -7.792 487 1HA GLY 62 1HA GLY 62 6.980 -7.083 -10.318 488 2HA GLY 62 2HA GLY 62 6.574 -8.697 -9.768 489 H TYR 63 H TYR 63 5.999 -5.339 -8.477 490 HA TYR 63 HA TYR 63 3.350 -6.108 -7.660 491 1HB TYR 63 1HB TYR 63 5.368 -3.924 -7.377 492 2HB TYR 63 2HB TYR 63 3.736 -3.297 -7.497 493 HD1 TYR 63 HD1 TYR 63 6.137 -5.036 -5.393 494 HD2 TYR 63 HD2 TYR 63 2.017 -3.955 -5.794 495 HE1 TYR 63 HE1 TYR 63 5.762 -5.521 -2.926 496 HE2 TYR 63 HE2 TYR 63 1.656 -4.443 -3.325 497 HH TYR 63 HH TYR 63 2.539 -5.488 -1.552 498 H THR 64 H THR 64 4.887 -4.042 -10.184 499 HA THR 64 HA THR 64 4.083 -3.234 -12.096 500 HB THR 64 HB THR 64 1.478 -4.746 -11.741 501 HG1 THR 64 HG1 THR 64 2.809 -6.462 -11.275 502 1HG2 THR 64 1HG2 THR 64 1.464 -4.702 -14.033 503 2HG2 THR 64 2HG2 THR 64 2.770 -3.499 -13.916 504 3HG2 THR 64 3HG2 THR 64 3.164 -5.223 -14.113 505 H HIS 65 H HIS 65 1.150 -3.534 -9.973 506 HA HIS 65 HA HIS 65 1.134 -0.729 -9.548 507 1HB HIS 65 1HB HIS 65 -1.178 -1.760 -11.191 508 2HB HIS 65 2HB HIS 65 -0.797 -0.102 -10.769 509 HD1 HIS 65 HD1 HIS 65 0.559 -2.943 -12.936 510 HD2 HIS 65 HD2 HIS 65 0.760 1.234 -12.610 511 HE1 HIS 65 HE1 HIS 65 1.819 -2.125 -14.998 512 HE2 HIS 65 HE2 HIS 65 1.863 0.452 -14.770 513 H ILE 66 H ILE 66 -0.807 -0.098 -8.175 514 HA ILE 66 HA ILE 66 -2.030 -2.424 -6.900 515 HB ILE 66 HB ILE 66 -1.517 -1.616 -4.699 516 1HG1 ILE 66 1HG1 ILE 66 0.509 0.323 -5.130 517 2HG1 ILE 66 2HG1 ILE 66 -0.877 0.832 -6.074 518 1HG2 ILE 66 1HG2 ILE 66 1.227 -1.500 -5.689 519 2HG2 ILE 66 2HG2 ILE 66 0.423 -2.713 -4.664 520 3HG2 ILE 66 3HG2 ILE 66 0.277 -2.808 -6.435 521 1HD1 ILE 66 1HD1 ILE 66 -1.511 -0.173 -3.335 522 2HD1 ILE 66 2HD1 ILE 66 -0.597 1.352 -3.409 523 3HD1 ILE 66 3HD1 ILE 66 -2.177 1.222 -4.218 524 H PHE 67 H PHE 67 -4.186 -2.145 -6.541 525 HA PHE 67 HA PHE 67 -5.219 0.524 -7.128 526 1HB PHE 67 1HB PHE 67 -6.401 -2.314 -7.012 527 2HB PHE 67 2HB PHE 67 -7.383 -0.898 -7.334 528 HD1 PHE 67 HD1 PHE 67 -5.957 -3.558 -8.888 529 HD2 PHE 67 HD2 PHE 67 -6.119 0.666 -9.260 530 HE1 PHE 67 HE1 PHE 67 -5.439 -3.754 -11.336 531 HE2 PHE 67 HE2 PHE 67 -5.600 0.470 -11.708 532 HZ PHE 67 HZ PHE 67 -5.266 -1.738 -12.717 533 H GLU 68 H GLU 68 -6.311 1.727 -5.611 534 HA GLU 68 HA GLU 68 -6.897 0.347 -3.109 535 1HB GLU 68 1HB GLU 68 -5.934 3.229 -3.353 536 2HB GLU 68 2HB GLU 68 -6.224 2.348 -1.866 537 1HG GLU 68 1HG GLU 68 -4.470 0.621 -2.968 538 2HG GLU 68 2HG GLU 68 -3.963 2.055 -3.840 539 H SER 69 H SER 69 -9.008 0.511 -2.453 540 HA SER 69 HA SER 69 -10.598 2.505 -3.859 541 1HB SER 69 1HB SER 69 -11.020 -0.127 -3.950 542 2HB SER 69 2HB SER 69 -11.812 0.150 -2.412 543 HG SER 69 HG SER 69 -12.894 0.473 -4.796 544 H THR 70 H THR 70 -12.148 3.773 -2.640 545 HA THR 70 HA THR 70 -11.507 3.864 0.229 546 HB THR 70 HB THR 70 -12.802 6.025 -1.500 547 HG1 THR 70 HG1 THR 70 -10.626 6.627 -1.944 548 1HG2 THR 70 1HG2 THR 70 -12.565 7.343 0.355 549 2HG2 THR 70 2HG2 THR 70 -12.217 5.859 1.273 550 3HG2 THR 70 3HG2 THR 70 -10.882 6.808 0.576 551 H PHE 71 H PHE 71 -13.042 3.606 1.781 552 HA PHE 71 HA PHE 71 -15.730 3.018 0.754 553 1HB PHE 71 1HB PHE 71 -14.294 2.086 3.311 554 2HB PHE 71 2HB PHE 71 -15.838 1.488 2.737 555 HD1 PHE 71 HD1 PHE 71 -15.008 1.305 -0.225 556 HD2 PHE 71 HD2 PHE 71 -13.162 -0.005 3.365 557 HE1 PHE 71 HE1 PHE 71 -13.832 -0.514 -1.493 558 HE2 PHE 71 HE2 PHE 71 -11.986 -1.824 2.096 559 HZ PHE 71 HZ PHE 71 -12.336 -2.056 -0.318 560 H GLU 72 H GLU 72 -17.557 3.591 2.171 561 HA GLU 72 HA GLU 72 -16.874 5.541 4.201 562 1HB GLU 72 1HB GLU 72 -18.695 7.067 3.306 563 2HB GLU 72 2HB GLU 72 -17.263 6.964 2.301 564 1HG GLU 72 1HG GLU 72 -18.414 5.233 0.878 565 2HG GLU 72 2HG GLU 72 -19.854 5.405 1.861 566 H SER 73 H SER 73 -17.597 2.940 4.755 567 HA SER 73 HA SER 73 -19.712 3.237 6.426 568 1HB SER 73 1HB SER 73 -20.765 3.154 3.882 569 2HB SER 73 2HB SER 73 -20.811 1.455 4.306 570 HG SER 73 HG SER 73 -22.462 1.836 5.608 571 H LYS 74 H LYS 74 -17.716 1.222 4.301 572 HA LYS 74 HA LYS 74 -16.612 -0.657 4.674 573 1HB LYS 74 1HB LYS 74 -15.967 0.164 6.831 574 2HB LYS 74 2HB LYS 74 -17.526 -0.227 7.527 575 1HG LYS 74 1HG LYS 74 -17.072 -2.679 6.963 576 2HG LYS 74 2HG LYS 74 -15.451 -2.210 6.488 577 1HD LYS 74 1HD LYS 74 -15.174 -1.179 8.823 578 2HD LYS 74 2HD LYS 74 -16.702 -1.920 9.257 579 1HE LYS 74 1HE LYS 74 -14.315 -3.485 8.168 580 2HE LYS 74 2HE LYS 74 -14.649 -3.292 9.877 581 1HZ LYS 74 1HZ LYS 74 -16.521 -4.566 9.719 582 2HZ LYS 74 2HZ LYS 74 -16.747 -4.296 8.125 583 3HZ LYS 74 3HZ LYS 74 -15.567 -5.309 8.622 584 H GLU 75 H GLU 75 -19.668 -0.861 6.641 585 HA GLU 75 HA GLU 75 -20.091 -3.523 5.930 586 1HB GLU 75 1HB GLU 75 -21.934 -1.368 7.039 587 2HB GLU 75 2HB GLU 75 -22.463 -3.021 6.796 588 1HG GLU 75 1HG GLU 75 -20.432 -3.745 8.218 589 2HG GLU 75 2HG GLU 75 -20.220 -2.053 8.621 590 H ALA 76 H ALA 76 -20.881 -0.426 4.396 591 HA ALA 76 HA ALA 76 -22.891 -1.463 2.677 592 1HB ALA 76 1HB ALA 76 -22.752 0.710 1.622 593 2HB ALA 76 2HB ALA 76 -22.598 0.942 3.381 594 3HB ALA 76 3HB ALA 76 -21.153 1.012 2.344 595 H VAL 77 H VAL 77 -19.329 -1.086 2.565 596 HA VAL 77 HA VAL 77 -18.894 -1.442 -0.114 597 HB VAL 77 HB VAL 77 -17.369 -1.125 2.064 598 1HG1 VAL 77 1HG1 VAL 77 -16.559 -3.908 1.246 599 2HG1 VAL 77 2HG1 VAL 77 -16.139 -2.991 2.712 600 3HG1 VAL 77 3HG1 VAL 77 -17.777 -3.661 2.520 601 1HG2 VAL 77 1HG2 VAL 77 -15.393 -1.710 0.517 602 2HG2 VAL 77 2HG2 VAL 77 -16.633 -2.117 -0.693 603 3HG2 VAL 77 3HG2 VAL 77 -16.541 -0.466 -0.034 604 H ALA 78 H ALA 78 -20.125 -3.707 2.284 605 HA ALA 78 HA ALA 78 -19.426 -6.098 1.028 606 1HB ALA 78 1HB ALA 78 -20.244 -5.956 3.331 607 2HB ALA 78 2HB ALA 78 -21.820 -5.359 2.759 608 3HB ALA 78 3HB ALA 78 -21.306 -7.019 2.378 609 H GLU 79 H GLU 79 -21.916 -3.653 0.359 610 HA GLU 79 HA GLU 79 -23.493 -5.330 -1.246 611 1HB GLU 79 1HB GLU 79 -23.519 -2.596 -0.326 612 2HB GLU 79 2HB GLU 79 -23.769 -2.587 -2.060 613 1HG GLU 79 1HG GLU 79 -25.611 -4.251 -1.816 614 2HG GLU 79 2HG GLU 79 -25.349 -4.301 -0.084 615 H TYR 80 H TYR 80 -20.757 -3.073 -1.858 616 HA TYR 80 HA TYR 80 -20.894 -3.074 -4.640 617 1HB TYR 80 1HB TYR 80 -19.476 -1.508 -3.426 618 2HB TYR 80 2HB TYR 80 -18.764 -2.785 -2.460 619 HD1 TYR 80 HD1 TYR 80 -19.145 -2.588 -6.180 620 HD2 TYR 80 HD2 TYR 80 -16.461 -2.612 -2.848 621 HE1 TYR 80 HE1 TYR 80 -17.162 -2.691 -7.769 622 HE2 TYR 80 HE2 TYR 80 -14.487 -2.715 -4.448 623 HH TYR 80 HH TYR 80 -15.012 -2.668 -7.963 624 H ILE 81 H ILE 81 -19.183 -5.272 -2.332 625 HA ILE 81 HA ILE 81 -17.951 -6.758 -4.410 626 HB ILE 81 HB ILE 81 -18.226 -6.947 -1.454 627 1HG1 ILE 81 1HG1 ILE 81 -15.650 -7.497 -2.744 628 2HG1 ILE 81 2HG1 ILE 81 -16.328 -5.949 -3.207 629 1HG2 ILE 81 1HG2 ILE 81 -17.269 -9.259 -3.163 630 2HG2 ILE 81 2HG2 ILE 81 -17.172 -9.144 -1.390 631 3HG2 ILE 81 3HG2 ILE 81 -18.760 -9.223 -2.191 632 1HD1 ILE 81 1HD1 ILE 81 -16.067 -5.056 -1.113 633 2HD1 ILE 81 2HD1 ILE 81 -16.560 -6.563 -0.304 634 3HD1 ILE 81 3HD1 ILE 81 -14.894 -6.378 -0.902 635 H ALA 82 H ALA 82 -21.158 -6.594 -3.114 636 HA ALA 82 HA ALA 82 -21.764 -9.312 -3.975 637 1HB ALA 82 1HB ALA 82 -22.573 -8.437 -1.772 638 2HB ALA 82 2HB ALA 82 -23.523 -7.212 -2.646 639 3HB ALA 82 3HB ALA 82 -23.893 -8.940 -2.854 640 H HIS 83 H HIS 83 -20.953 -7.028 -5.818 641 HA HIS 83 HA HIS 83 -23.466 -6.716 -7.269 642 1HB HIS 83 1HB HIS 83 -21.574 -4.861 -6.600 643 2HB HIS 83 2HB HIS 83 -21.049 -5.298 -8.214 644 HD1 HIS 83 HD1 HIS 83 -22.843 -4.932 -10.189 645 HD2 HIS 83 HD2 HIS 83 -23.818 -3.230 -6.481 646 HE1 HIS 83 HE1 HIS 83 -24.698 -3.240 -10.645 647 HE2 HIS 83 HE2 HIS 83 -25.293 -2.266 -8.322 648 HA PRO 84 HA PRO 84 -21.959 -9.776 -9.984 649 1HB PRO 84 1HB PRO 84 -24.103 -9.851 -11.677 650 2HB PRO 84 2HB PRO 84 -24.039 -10.747 -10.172 651 1HG PRO 84 1HG PRO 84 -25.549 -8.284 -10.800 652 2HG PRO 84 2HG PRO 84 -25.790 -9.413 -9.482 653 1HD PRO 84 1HD PRO 84 -24.550 -6.832 -9.325 654 2HD PRO 84 2HD PRO 84 -24.687 -8.009 -8.034 655 H ALA 85 H ALA 85 -23.087 -6.664 -11.035 656 HA ALA 85 HA ALA 85 -22.124 -6.837 -13.655 657 1HB ALA 85 1HB ALA 85 -22.958 -4.735 -13.773 658 2HB ALA 85 2HB ALA 85 -23.552 -5.034 -12.122 659 3HB ALA 85 3HB ALA 85 -22.009 -4.183 -12.372 660 H HIS 86 H HIS 86 -20.629 -5.599 -10.593 661 HA HIS 86 HA HIS 86 -18.190 -4.979 -11.898 662 1HB HIS 86 1HB HIS 86 -18.047 -3.744 -10.061 663 2HB HIS 86 2HB HIS 86 -19.401 -4.584 -9.331 664 HD1 HIS 86 HD1 HIS 86 -15.607 -4.841 -9.630 665 HD2 HIS 86 HD2 HIS 86 -18.745 -6.288 -7.251 666 HE1 HIS 86 HE1 HIS 86 -14.516 -6.051 -7.665 667 HE2 HIS 86 HE2 HIS 86 -16.493 -6.871 -6.211 668 H VAL 87 H VAL 87 -19.475 -7.744 -9.990 669 HA VAL 87 HA VAL 87 -17.086 -9.120 -9.687 670 HB VAL 87 HB VAL 87 -19.992 -9.779 -9.695 671 1HG1 VAL 87 1HG1 VAL 87 -19.216 -11.702 -10.865 672 2HG1 VAL 87 2HG1 VAL 87 -17.773 -11.838 -9.832 673 3HG1 VAL 87 3HG1 VAL 87 -19.385 -12.184 -9.160 674 1HG2 VAL 87 1HG2 VAL 87 -18.468 -8.881 -7.747 675 2HG2 VAL 87 2HG2 VAL 87 -19.701 -10.125 -7.428 676 3HG2 VAL 87 3HG2 VAL 87 -17.992 -10.590 -7.606 677 H GLU 88 H GLU 88 -19.514 -9.129 -12.364 678 HA GLU 88 HA GLU 88 -18.405 -11.155 -13.824 679 1HB GLU 88 1HB GLU 88 -20.597 -9.742 -14.155 680 2HB GLU 88 2HB GLU 88 -19.595 -8.698 -15.143 681 1HG GLU 88 1HG GLU 88 -18.925 -11.270 -16.048 682 2HG GLU 88 2HG GLU 88 -20.645 -11.394 -15.734 683 H PHE 89 H PHE 89 -17.634 -7.623 -13.813 684 HA PHE 89 HA PHE 89 -15.707 -7.853 -15.878 685 1HB PHE 89 1HB PHE 89 -17.129 -5.857 -14.570 686 2HB PHE 89 2HB PHE 89 -15.577 -5.694 -13.773 687 HD1 PHE 89 HD1 PHE 89 -17.308 -5.488 -17.016 688 HD2 PHE 89 HD2 PHE 89 -13.690 -4.771 -14.918 689 HE1 PHE 89 HE1 PHE 89 -16.462 -4.121 -18.943 690 HE2 PHE 89 HE2 PHE 89 -12.844 -3.404 -16.845 691 HZ PHE 89 HZ PHE 89 -14.240 -3.095 -18.835 692 H ALA 90 H ALA 90 -15.663 -8.052 -12.306 693 HA ALA 90 HA ALA 90 -12.846 -7.838 -12.079 694 1HB ALA 90 1HB ALA 90 -14.425 -9.316 -10.025 695 2HB ALA 90 2HB ALA 90 -13.270 -7.975 -9.835 696 3HB ALA 90 3HB ALA 90 -14.937 -7.645 -10.364 697 H THR 91 H THR 91 -15.203 -10.554 -12.362 698 HA THR 91 HA THR 91 -13.385 -12.624 -11.910 699 HB THR 91 HB THR 91 -15.981 -12.404 -13.516 700 HG1 THR 91 HG1 THR 91 -15.078 -13.325 -10.880 701 1HG2 THR 91 1HG2 THR 91 -15.995 -14.694 -13.837 702 2HG2 THR 91 2HG2 THR 91 -14.225 -14.524 -13.764 703 3HG2 THR 91 3HG2 THR 91 -15.133 -15.002 -12.310 704 H ILE 92 H ILE 92 -14.301 -10.913 -14.951 705 HA ILE 92 HA ILE 92 -12.719 -12.563 -16.590 706 HB ILE 92 HB ILE 92 -14.112 -9.941 -16.846 707 1HG1 ILE 92 1HG1 ILE 92 -14.232 -12.394 -18.610 708 2HG1 ILE 92 2HG1 ILE 92 -15.172 -12.249 -17.139 709 1HG2 ILE 92 1HG2 ILE 92 -11.748 -10.753 -18.418 710 2HG2 ILE 92 2HG2 ILE 92 -13.168 -10.263 -19.372 711 3HG2 ILE 92 3HG2 ILE 92 -12.477 -9.148 -18.169 712 1HD1 ILE 92 1HD1 ILE 92 -15.233 -10.085 -19.276 713 2HD1 ILE 92 2HD1 ILE 92 -16.313 -11.498 -19.332 714 3HD1 ILE 92 3HD1 ILE 92 -16.399 -10.367 -17.961 715 H PHE 93 H PHE 93 -12.088 -9.614 -14.667 716 HA PHE 93 HA PHE 93 -9.550 -9.130 -15.818 717 1HB PHE 93 1HB PHE 93 -11.191 -7.603 -14.448 718 2HB PHE 93 2HB PHE 93 -10.606 -8.432 -13.019 719 HD1 PHE 93 HD1 PHE 93 -8.656 -7.331 -15.989 720 HD2 PHE 93 HD2 PHE 93 -9.458 -6.764 -11.861 721 HE1 PHE 93 HE1 PHE 93 -6.739 -5.717 -15.838 722 HE2 PHE 93 HE2 PHE 93 -7.542 -5.150 -11.710 723 HZ PHE 93 HZ PHE 93 -6.205 -4.646 -13.700 724 H LEU 94 H LEU 94 -10.668 -10.715 -12.752 725 HA LEU 94 HA LEU 94 -8.098 -11.272 -11.805 726 1HB LEU 94 1HB LEU 94 -10.759 -12.597 -11.271 727 2HB LEU 94 2HB LEU 94 -9.291 -12.932 -10.376 728 HG LEU 94 HG LEU 94 -10.580 -10.196 -10.552 729 1HD1 LEU 94 1HD1 LEU 94 -12.132 -10.949 -9.152 730 2HD1 LEU 94 2HD1 LEU 94 -11.311 -12.519 -8.975 731 3HD1 LEU 94 3HD1 LEU 94 -10.842 -11.147 -7.941 732 1HD2 LEU 94 1HD2 LEU 94 -9.109 -9.576 -8.742 733 2HD2 LEU 94 2HD2 LEU 94 -8.447 -11.226 -8.662 734 3HD2 LEU 94 3HD2 LEU 94 -8.144 -10.215 -10.095 735 H GLY 95 H GLY 95 -10.114 -12.751 -14.290 736 1HA GLY 95 1HA GLY 95 -8.776 -15.282 -14.305 737 2HA GLY 95 2HA GLY 95 -9.874 -14.642 -15.511 738 H SER 96 H SER 96 -8.024 -12.065 -15.460 739 HA SER 96 HA SER 96 -6.025 -13.246 -17.228 740 1HB SER 96 1HB SER 96 -7.693 -10.745 -17.435 741 2HB SER 96 2HB SER 96 -6.086 -10.719 -18.133 742 HG SER 96 HG SER 96 -8.313 -12.413 -18.815 743 H LEU 97 H LEU 97 -5.992 -12.703 -14.228 744 HA LEU 97 HA LEU 97 -3.789 -10.758 -14.221 745 1HB LEU 97 1HB LEU 97 -6.118 -11.143 -12.470 746 2HB LEU 97 2HB LEU 97 -4.598 -10.968 -11.616 747 HG LEU 97 HG LEU 97 -4.185 -8.831 -12.793 748 1HD1 LEU 97 1HD1 LEU 97 -5.897 -9.675 -14.693 749 2HD1 LEU 97 2HD1 LEU 97 -6.983 -8.626 -13.750 750 3HD1 LEU 97 3HD1 LEU 97 -5.477 -7.966 -14.430 751 1HD2 LEU 97 1HD2 LEU 97 -6.876 -8.875 -11.402 752 2HD2 LEU 97 2HD2 LEU 97 -5.301 -8.931 -10.574 753 3HD2 LEU 97 3HD2 LEU 97 -5.750 -7.503 -11.537 754 H ASP 98 H ASP 98 -1.805 -11.426 -13.493 755 HA ASP 98 HA ASP 98 -1.327 -14.145 -13.387 756 1HB ASP 98 1HB ASP 98 0.402 -12.491 -13.973 757 2HB ASP 98 2HB ASP 98 0.308 -11.773 -12.377 758 H LYS 99 H LYS 99 -1.007 -11.622 -10.762 759 HA LYS 99 HA LYS 99 -1.777 -13.703 -8.837 760 1HB LYS 99 1HB LYS 99 0.318 -11.541 -8.463 761 2HB LYS 99 2HB LYS 99 -0.226 -12.656 -7.226 762 1HG LYS 99 1HG LYS 99 0.849 -14.486 -8.189 763 2HG LYS 99 2HG LYS 99 0.687 -13.867 -9.820 764 1HD LYS 99 1HD LYS 99 3.045 -13.770 -9.154 765 2HD LYS 99 2HD LYS 99 2.432 -12.139 -9.339 766 1HE LYS 99 1HE LYS 99 3.178 -11.721 -7.233 767 2HE LYS 99 2HE LYS 99 1.876 -12.737 -6.648 768 1HZ LYS 99 1HZ LYS 99 3.715 -13.748 -5.801 769 2HZ LYS 99 2HZ LYS 99 3.531 -14.613 -7.173 770 3HZ LYS 99 3HZ LYS 99 4.662 -13.439 -7.094 771 H VAL 100 H VAL 100 -3.050 -12.984 -7.028 772 HA VAL 100 HA VAL 100 -3.998 -10.238 -7.165 773 HB VAL 100 HB VAL 100 -6.371 -11.257 -6.913 774 1HG1 VAL 100 1HG1 VAL 100 -6.513 -11.391 -9.503 775 2HG1 VAL 100 2HG1 VAL 100 -6.014 -9.859 -8.747 776 3HG1 VAL 100 3HG1 VAL 100 -4.792 -10.939 -9.462 777 1HG2 VAL 100 1HG2 VAL 100 -5.812 -13.590 -6.750 778 2HG2 VAL 100 2HG2 VAL 100 -6.659 -13.333 -8.294 779 3HG2 VAL 100 3HG2 VAL 100 -4.890 -13.530 -8.271 780 H LEU 101 H LEU 101 -3.614 -9.498 -5.145 781 HA LEU 101 HA LEU 101 -4.385 -11.262 -2.937 782 1HB LEU 101 1HB LEU 101 -1.792 -10.885 -3.587 783 2HB LEU 101 2HB LEU 101 -2.035 -9.511 -2.528 784 HG LEU 101 HG LEU 101 -1.160 -11.320 -1.234 785 1HD1 LEU 101 1HD1 LEU 101 -3.952 -11.594 -0.315 786 2HD1 LEU 101 2HD1 LEU 101 -2.500 -11.030 0.547 787 3HD1 LEU 101 3HD1 LEU 101 -3.380 -9.922 -0.534 788 1HD2 LEU 101 1HD2 LEU 101 -3.338 -12.961 -2.519 789 2HD2 LEU 101 2HD2 LEU 101 -1.583 -13.257 -2.472 790 3HD2 LEU 101 3HD2 LEU 101 -2.560 -13.459 -0.997 791 H VAL 102 H VAL 102 -5.788 -10.305 -1.555 792 HA VAL 102 HA VAL 102 -6.194 -7.434 -1.911 793 HB VAL 102 HB VAL 102 -8.121 -8.826 -2.271 794 1HG1 VAL 102 1HG1 VAL 102 -7.065 -10.334 -0.065 795 2HG1 VAL 102 2HG1 VAL 102 -8.735 -9.844 0.309 796 3HG1 VAL 102 3HG1 VAL 102 -8.386 -10.752 -1.182 797 1HG2 VAL 102 1HG2 VAL 102 -8.789 -7.757 0.428 798 2HG2 VAL 102 2HG2 VAL 102 -8.103 -6.609 -0.747 799 3HG2 VAL 102 3HG2 VAL 102 -9.591 -7.503 -1.141 800 H ILE 103 H ILE 103 -5.650 -5.978 -0.347 801 HA ILE 103 HA ILE 103 -5.187 -7.007 2.343 802 HB ILE 103 HB ILE 103 -3.185 -5.355 0.797 803 1HG1 ILE 103 1HG1 ILE 103 -3.257 -7.722 0.086 804 2HG1 ILE 103 2HG1 ILE 103 -1.743 -7.282 0.850 805 1HG2 ILE 103 1HG2 ILE 103 -3.662 -5.353 3.524 806 2HG2 ILE 103 2HG2 ILE 103 -2.328 -6.516 3.334 807 3HG2 ILE 103 3HG2 ILE 103 -2.158 -4.858 2.711 808 1HD1 ILE 103 1HD1 ILE 103 -3.683 -8.219 2.839 809 2HD1 ILE 103 2HD1 ILE 103 -3.410 -9.431 1.565 810 3HD1 ILE 103 3HD1 ILE 103 -2.035 -8.804 2.506 811 H ASP 104 H ASP 104 -5.589 -5.479 3.993 812 HA ASP 104 HA ASP 104 -6.822 -3.046 2.964 813 1HB ASP 104 1HB ASP 104 -8.508 -4.379 4.041 814 2HB ASP 104 2HB ASP 104 -7.440 -4.806 5.364 815 H TYR 105 H TYR 105 -6.136 -1.056 3.920 816 HA TYR 105 HA TYR 105 -4.124 -1.307 6.053 817 1HB TYR 105 1HB TYR 105 -3.333 -0.741 3.647 818 2HB TYR 105 2HB TYR 105 -4.339 0.692 3.717 819 HD1 TYR 105 HD1 TYR 105 -1.080 -0.496 4.136 820 HD2 TYR 105 HD2 TYR 105 -3.877 2.223 5.893 821 HE1 TYR 105 HE1 TYR 105 0.835 0.804 5.190 822 HE2 TYR 105 HE2 TYR 105 -1.953 3.513 6.941 823 HH TYR 105 HH TYR 105 0.224 3.359 7.496 824 H LYS 106 H LYS 106 -4.533 -0.133 7.867 825 HA LYS 106 HA LYS 106 -6.534 2.004 7.604 826 1HB LYS 106 1HB LYS 106 -6.267 -0.219 9.592 827 2HB LYS 106 2HB LYS 106 -6.871 1.328 10.153 828 1HG LYS 106 1HG LYS 106 -8.389 1.120 7.926 829 2HG LYS 106 2HG LYS 106 -8.095 -0.589 8.178 830 1HD LYS 106 1HD LYS 106 -10.079 -0.180 9.413 831 2HD LYS 106 2HD LYS 106 -8.829 -0.191 10.640 832 1HE LYS 106 1HE LYS 106 -8.736 2.439 10.085 833 2HE LYS 106 2HE LYS 106 -10.369 2.152 9.518 834 1HZ LYS 106 1HZ LYS 106 -9.594 2.496 12.097 835 2HZ LYS 106 2HZ LYS 106 -11.062 1.991 11.590 836 3HZ LYS 106 3HZ LYS 106 -9.920 0.899 12.003 837 HA PRO 107 HA PRO 107 -3.447 4.546 9.238 838 1HB PRO 107 1HB PRO 107 -4.944 6.698 10.007 839 2HB PRO 107 2HB PRO 107 -4.436 6.426 8.352 840 1HG PRO 107 1HG PRO 107 -7.109 6.048 9.557 841 2HG PRO 107 2HG PRO 107 -6.679 6.195 7.865 842 1HD PRO 107 1HD PRO 107 -7.349 3.781 9.262 843 2HD PRO 107 2HD PRO 107 -6.806 3.915 7.601 844 H THR 108 H THR 108 -2.551 3.366 10.907 845 HA THR 108 HA THR 108 -3.670 4.174 13.505 846 HB THR 108 HB THR 108 -2.975 1.411 12.430 847 HG1 THR 108 HG1 THR 108 -5.190 2.386 12.506 848 1HG2 THR 108 1HG2 THR 108 -2.060 0.860 14.459 849 2HG2 THR 108 2HG2 THR 108 -2.455 2.456 15.141 850 3HG2 THR 108 3HG2 THR 108 -3.673 1.158 15.149 851 H SER 109 H SER 109 -1.960 5.895 12.995 852 HA SER 109 HA SER 109 0.721 4.957 13.203 853 1HB SER 109 1HB SER 109 1.138 7.528 13.423 854 2HB SER 109 2HB SER 109 0.550 6.900 11.896 855 HG SER 109 HG SER 109 -1.445 7.620 13.773 856 H VAL 110 H VAL 110 2.221 5.793 14.971 857 HA VAL 110 HA VAL 110 0.833 5.571 17.523 858 HB VAL 110 HB VAL 110 3.732 5.336 16.702 859 1HG1 VAL 110 1HG1 VAL 110 3.695 4.328 19.207 860 2HG1 VAL 110 2HG1 VAL 110 4.111 6.018 18.835 861 3HG1 VAL 110 3HG1 VAL 110 2.467 5.605 19.379 862 1HG2 VAL 110 1HG2 VAL 110 2.271 3.455 16.038 863 2HG2 VAL 110 2HG2 VAL 110 3.472 2.977 17.261 864 3HG2 VAL 110 3HG2 VAL 110 1.778 3.253 17.736 865 H SER 111 H SER 111 0.837 7.187 19.083 866 HA SER 111 HA SER 111 1.320 9.786 18.085 867 1HB SER 111 1HB SER 111 0.925 9.907 20.900 868 2HB SER 111 2HB SER 111 -0.251 10.226 19.642 869 HG SER 111 HG SER 111 -0.811 8.500 21.247 870 H LEU 112 H LEU 112 3.160 11.030 18.297 871 HA LEU 112 HA LEU 112 5.182 10.035 20.184 872 1HB LEU 112 1HB LEU 112 6.866 10.901 18.641 873 2HB LEU 112 2HB LEU 112 5.897 9.618 17.945 874 HG LEU 112 HG LEU 112 4.502 11.717 17.016 875 1HD1 LEU 112 1HD1 LEU 112 7.247 12.773 17.627 876 2HD1 LEU 112 2HD1 LEU 112 6.350 13.360 16.206 877 3HD1 LEU 112 3HD1 LEU 112 5.657 13.545 17.835 878 1HD2 LEU 112 1HD2 LEU 112 6.485 11.528 15.103 879 2HD2 LEU 112 2HD2 LEU 112 6.623 9.989 15.986 880 3HD2 LEU 112 3HD2 LEU 112 5.068 10.463 15.261 881 1H GLY 1 1H GLY 1 23.054 27.217 -2.976 882 1HA GLY 1 1HA GLY 1 22.596 24.780 -2.185 883 2HA GLY 1 2HA GLY 1 21.494 25.594 -1.093 884 H SER 2 H SER 2 19.987 24.082 -2.450 885 HA SER 2 HA SER 2 19.476 24.696 -5.096 886 1HB SER 2 1HB SER 2 17.572 23.574 -2.993 887 2HB SER 2 2HB SER 2 17.327 23.485 -4.726 888 HG SER 2 HG SER 2 18.993 21.956 -3.070 889 H HIS 3 H HIS 3 18.106 25.944 -2.000 890 HA HIS 3 HA HIS 3 17.074 27.834 -1.540 891 1HB HIS 3 1HB HIS 3 18.653 28.795 -3.290 892 2HB HIS 3 2HB HIS 3 17.331 28.679 -4.434 893 HD1 HIS 3 HD1 HIS 3 18.748 30.869 -1.860 894 HD2 HIS 3 HD2 HIS 3 14.990 30.311 -3.638 895 HE1 HIS 3 HE1 HIS 3 17.391 32.966 -1.338 896 H MET 4 H MET 4 16.039 26.954 -4.919 897 HA MET 4 HA MET 4 13.323 26.885 -3.852 898 1HB MET 4 1HB MET 4 14.518 27.694 -6.532 899 2HB MET 4 2HB MET 4 12.857 27.136 -6.482 900 1HG MET 4 1HG MET 4 12.152 29.142 -5.681 901 2HG MET 4 2HG MET 4 13.259 29.039 -4.326 902 1HE MET 4 1HE MET 4 13.298 31.505 -7.949 903 2HE MET 4 2HE MET 4 13.942 29.940 -8.500 904 3HE MET 4 3HE MET 4 12.380 30.010 -7.650 905 H GLU 5 H GLU 5 12.788 24.774 -3.432 906 HA GLU 5 HA GLU 5 13.832 22.763 -5.229 907 1HB GLU 5 1HB GLU 5 13.395 22.860 -2.441 908 2HB GLU 5 2HB GLU 5 12.159 21.770 -3.037 909 1HG GLU 5 1HG GLU 5 14.108 20.666 -4.418 910 2HG GLU 5 2HG GLU 5 15.173 21.528 -3.326 911 H GLU 6 H GLU 6 12.390 21.100 -6.160 912 HA GLU 6 HA GLU 6 9.773 22.261 -6.680 913 1HB GLU 6 1HB GLU 6 11.778 20.907 -8.339 914 2HB GLU 6 2HB GLU 6 10.203 20.157 -8.507 915 1HG GLU 6 1HG GLU 6 9.290 21.990 -9.553 916 2HG GLU 6 2HG GLU 6 10.120 23.129 -8.512 917 H ALA 7 H ALA 7 7.969 21.265 -5.874 918 HA ALA 7 HA ALA 7 7.760 18.460 -5.672 919 1HB ALA 7 1HB ALA 7 8.935 18.251 -3.729 920 2HB ALA 7 2HB ALA 7 8.768 19.975 -3.321 921 3HB ALA 7 3HB ALA 7 7.429 18.850 -2.994 922 H LYS 8 H LYS 8 5.585 17.829 -5.021 923 HA LYS 8 HA LYS 8 3.767 20.120 -4.782 924 1HB LYS 8 1HB LYS 8 4.037 18.597 -7.069 925 2HB LYS 8 2HB LYS 8 2.702 17.807 -6.254 926 1HG LYS 8 1HG LYS 8 2.186 20.572 -5.932 927 2HG LYS 8 2HG LYS 8 2.779 20.428 -7.574 928 1HD LYS 8 1HD LYS 8 0.844 18.304 -6.822 929 2HD LYS 8 2HD LYS 8 0.168 19.919 -6.762 930 1HE LYS 8 1HE LYS 8 -0.070 19.840 -9.017 931 2HE LYS 8 2HE LYS 8 1.676 19.878 -9.158 932 1HZ LYS 8 1HZ LYS 8 1.438 17.879 -10.039 933 2HZ LYS 8 2HZ LYS 8 1.148 17.312 -8.535 934 3HZ LYS 8 3HZ LYS 8 -0.099 17.696 -9.518 935 H GLY 9 H GLY 9 3.698 16.483 -4.711 936 1HA GLY 9 1HA GLY 9 2.907 15.056 -3.167 937 2HA GLY 9 2HA GLY 9 3.289 16.263 -1.955 938 HA PRO 10 HA PRO 10 2.309 14.979 -0.733 939 1HB PRO 10 1HB PRO 10 0.563 13.233 0.438 940 2HB PRO 10 2HB PRO 10 0.934 14.810 1.106 941 1HG PRO 10 1HG PRO 10 -1.499 13.927 -0.322 942 2HG PRO 10 2HG PRO 10 -1.277 15.329 0.707 943 1HD PRO 10 1HD PRO 10 -1.389 15.304 -2.159 944 2HD PRO 10 2HD PRO 10 -1.052 16.685 -1.136 945 H VAL 11 H VAL 11 2.920 12.589 -0.395 946 HA VAL 11 HA VAL 11 2.145 11.119 -2.800 947 HB VAL 11 HB VAL 11 4.869 12.034 -1.990 948 1HG1 VAL 11 1HG1 VAL 11 5.765 10.170 -3.530 949 2HG1 VAL 11 2HG1 VAL 11 5.318 9.733 -1.863 950 3HG1 VAL 11 3HG1 VAL 11 4.219 9.348 -3.209 951 1HG2 VAL 11 1HG2 VAL 11 3.317 12.869 -3.956 952 2HG2 VAL 11 2HG2 VAL 11 5.074 12.704 -4.186 953 3HG2 VAL 11 3HG2 VAL 11 3.975 11.441 -4.791 954 H LYS 12 H LYS 12 1.952 8.897 -2.485 955 HA LYS 12 HA LYS 12 2.424 8.040 0.284 956 1HB LYS 12 1HB LYS 12 0.370 7.070 -1.727 957 2HB LYS 12 2HB LYS 12 0.620 6.386 -0.133 958 1HG LYS 12 1HG LYS 12 0.139 9.365 -0.398 959 2HG LYS 12 2HG LYS 12 -1.223 8.268 -0.517 960 1HD LYS 12 1HD LYS 12 -0.623 7.275 1.699 961 2HD LYS 12 2HD LYS 12 0.746 8.363 1.818 962 1HE LYS 12 1HE LYS 12 -2.105 9.383 1.462 963 2HE LYS 12 2HE LYS 12 -1.417 9.077 3.044 964 1HZ LYS 12 1HZ LYS 12 -0.078 10.842 2.869 965 2HZ LYS 12 2HZ LYS 12 0.205 10.657 1.272 966 3HZ LYS 12 3HZ LYS 12 -1.174 11.368 1.780 967 H HIS 13 H HIS 13 3.787 6.343 0.669 968 HA HIS 13 HA HIS 13 4.903 5.089 -1.730 969 1HB HIS 13 1HB HIS 13 6.499 6.447 -0.467 970 2HB HIS 13 2HB HIS 13 6.146 5.548 0.995 971 HD1 HIS 13 HD1 HIS 13 8.243 5.488 -2.051 972 HD2 HIS 13 HD2 HIS 13 7.074 2.782 0.933 973 HE1 HIS 13 HE1 HIS 13 9.840 3.506 -2.219 974 HE2 HIS 13 HE2 HIS 13 9.107 1.901 -0.326 975 H VAL 14 H VAL 14 4.652 2.913 -2.010 976 HA VAL 14 HA VAL 14 3.391 1.484 0.219 977 HB VAL 14 HB VAL 14 3.399 0.923 -2.754 978 1HG1 VAL 14 1HG1 VAL 14 1.494 -0.395 -0.862 979 2HG1 VAL 14 2HG1 VAL 14 2.183 -0.985 -2.394 980 3HG1 VAL 14 3HG1 VAL 14 3.171 -0.991 -0.913 981 1HG2 VAL 14 1HG2 VAL 14 0.884 1.573 -1.309 982 2HG2 VAL 14 2HG2 VAL 14 2.026 2.916 -1.557 983 3HG2 VAL 14 3HG2 VAL 14 1.410 2.001 -2.954 984 H LEU 15 H LEU 15 4.699 0.168 1.367 985 HA LEU 15 HA LEU 15 6.787 -1.248 -0.111 986 1HB LEU 15 1HB LEU 15 7.951 0.589 0.829 987 2HB LEU 15 2HB LEU 15 7.140 0.417 2.373 988 HG LEU 15 HG LEU 15 8.988 -1.705 1.265 989 1HD1 LEU 15 1HD1 LEU 15 10.846 -0.700 2.087 990 2HD1 LEU 15 2HD1 LEU 15 9.905 0.767 1.723 991 3HD1 LEU 15 3HD1 LEU 15 9.962 0.136 3.386 992 1HD2 LEU 15 1HD2 LEU 15 7.369 -1.405 3.681 993 2HD2 LEU 15 2HD2 LEU 15 8.127 -2.852 2.973 994 3HD2 LEU 15 3HD2 LEU 15 9.077 -1.773 4.023 995 H LEU 16 H LEU 16 6.828 -3.404 0.333 996 HA LEU 16 HA LEU 16 5.138 -4.263 2.572 997 1HB LEU 16 1HB LEU 16 4.110 -5.450 1.025 998 2HB LEU 16 2HB LEU 16 5.304 -5.038 -0.189 999 HG LEU 16 HG LEU 16 6.745 -6.902 0.948 1000 1HD1 LEU 16 1HD1 LEU 16 4.446 -7.032 2.570 1001 2HD1 LEU 16 2HD1 LEU 16 4.421 -8.492 1.552 1002 3HD1 LEU 16 3HD1 LEU 16 5.845 -8.133 2.558 1003 1HD2 LEU 16 1HD2 LEU 16 5.041 -6.807 -1.261 1004 2HD2 LEU 16 2HD2 LEU 16 6.318 -8.002 -0.934 1005 3HD2 LEU 16 3HD2 LEU 16 4.641 -8.335 -0.441 1006 H ALA 17 H ALA 17 5.894 -5.960 3.963 1007 HA ALA 17 HA ALA 17 8.572 -6.924 3.631 1008 1HB ALA 17 1HB ALA 17 7.966 -5.131 6.013 1009 2HB ALA 17 2HB ALA 17 9.519 -5.895 5.597 1010 3HB ALA 17 3HB ALA 17 8.865 -4.595 4.573 1011 H SER 18 H SER 18 8.863 -8.847 4.776 1012 HA SER 18 HA SER 18 6.684 -9.519 6.590 1013 1HB SER 18 1HB SER 18 7.773 -11.076 4.243 1014 2HB SER 18 2HB SER 18 7.165 -11.960 5.628 1015 HG SER 18 HG SER 18 5.773 -10.403 3.720 1016 H PHE 19 H PHE 19 7.290 -10.819 8.414 1017 HA PHE 19 HA PHE 19 10.147 -10.772 8.922 1018 1HB PHE 19 1HB PHE 19 7.596 -11.333 10.543 1019 2HB PHE 19 2HB PHE 19 9.192 -11.477 11.252 1020 HD1 PHE 19 HD1 PHE 19 10.510 -9.512 11.765 1021 HD2 PHE 19 HD2 PHE 19 6.691 -9.139 9.951 1022 HE1 PHE 19 HE1 PHE 19 10.487 -7.063 12.316 1023 HE2 PHE 19 HE2 PHE 19 6.668 -6.691 10.502 1024 HZ PHE 19 HZ PHE 19 8.566 -5.682 11.678 1025 H LYS 20 H LYS 20 11.352 -12.538 8.427 1026 HA LYS 20 HA LYS 20 9.988 -15.119 8.361 1027 1HB LYS 20 1HB LYS 20 11.825 -13.867 6.642 1028 2HB LYS 20 2HB LYS 20 12.743 -15.125 7.443 1029 1HG LYS 20 1HG LYS 20 10.760 -16.709 6.909 1030 2HG LYS 20 2HG LYS 20 10.160 -15.442 5.858 1031 1HD LYS 20 1HD LYS 20 11.441 -16.590 4.308 1032 2HD LYS 20 2HD LYS 20 12.678 -15.507 4.914 1033 1HE LYS 20 1HE LYS 20 13.904 -17.307 5.545 1034 2HE LYS 20 2HE LYS 20 12.664 -17.714 6.714 1035 1HZ LYS 20 1HZ LYS 20 11.685 -19.164 5.264 1036 2HZ LYS 20 2HZ LYS 20 12.296 -18.461 3.922 1037 3HZ LYS 20 3HZ LYS 20 13.258 -19.370 4.879 1038 H ASP 21 H ASP 21 12.395 -16.697 8.727 1039 HA ASP 21 HA ASP 21 13.541 -17.659 10.294 1040 1HB ASP 21 1HB ASP 21 14.470 -15.203 10.469 1041 2HB ASP 21 2HB ASP 21 13.540 -15.111 11.951 1042 H GLY 22 H GLY 22 13.475 -18.253 12.795 1043 1HA GLY 22 1HA GLY 22 10.685 -18.507 13.544 1044 2HA GLY 22 2HA GLY 22 12.072 -19.281 14.284 1045 H VAL 23 H VAL 23 11.881 -15.763 13.616 1046 HA VAL 23 HA VAL 23 12.466 -15.200 16.348 1047 HB VAL 23 HB VAL 23 12.993 -13.997 13.997 1048 1HG1 VAL 23 1HG1 VAL 23 11.740 -11.926 13.786 1049 2HG1 VAL 23 2HG1 VAL 23 10.625 -13.311 13.697 1050 3HG1 VAL 23 3HG1 VAL 23 10.737 -12.352 15.193 1051 1HG2 VAL 23 1HG2 VAL 23 12.749 -12.335 16.509 1052 2HG2 VAL 23 2HG2 VAL 23 13.935 -13.655 16.372 1053 3HG2 VAL 23 3HG2 VAL 23 14.000 -12.279 15.244 1054 H SER 24 H SER 24 10.997 -15.196 17.963 1055 HA SER 24 HA SER 24 8.393 -15.633 17.747 1056 1HB SER 24 1HB SER 24 10.134 -14.341 19.767 1057 2HB SER 24 2HB SER 24 8.447 -13.887 19.911 1058 HG SER 24 HG SER 24 7.898 -15.901 20.501 1059 HA PRO 25 HA PRO 25 6.422 -12.023 16.325 1060 1HB PRO 25 1HB PRO 25 4.047 -11.988 17.677 1061 2HB PRO 25 2HB PRO 25 4.349 -13.025 16.296 1062 1HG PRO 25 1HG PRO 25 4.236 -13.741 19.162 1063 2HG PRO 25 2HG PRO 25 4.111 -14.789 17.763 1064 1HD PRO 25 1HD PRO 25 6.397 -14.464 19.464 1065 2HD PRO 25 2HD PRO 25 6.308 -15.422 18.000 1066 H GLU 26 H GLU 26 6.611 -12.246 19.799 1067 HA GLU 26 HA GLU 26 5.957 -9.646 20.357 1068 1HB GLU 26 1HB GLU 26 7.036 -11.904 21.742 1069 2HB GLU 26 2HB GLU 26 8.077 -10.545 22.119 1070 1HG GLU 26 1HG GLU 26 6.070 -9.190 22.763 1071 2HG GLU 26 2HG GLU 26 5.034 -10.555 22.396 1072 H LYS 27 H LYS 27 8.947 -11.060 19.052 1073 HA LYS 27 HA LYS 27 10.567 -8.790 19.577 1074 1HB LYS 27 1HB LYS 27 11.423 -11.104 19.274 1075 2HB LYS 27 2HB LYS 27 10.957 -11.044 17.586 1076 1HG LYS 27 1HG LYS 27 12.842 -9.906 17.042 1077 2HG LYS 27 2HG LYS 27 12.486 -8.658 18.220 1078 1HD LYS 27 1HD LYS 27 13.343 -10.490 19.967 1079 2HD LYS 27 2HD LYS 27 14.135 -11.170 18.559 1080 1HE LYS 27 1HE LYS 27 14.798 -8.514 18.260 1081 2HE LYS 27 2HE LYS 27 14.700 -8.617 20.006 1082 1HZ LYS 27 1HZ LYS 27 16.323 -10.255 20.044 1083 2HZ LYS 27 2HZ LYS 27 16.198 -10.592 18.451 1084 3HZ LYS 27 3HZ LYS 27 16.881 -9.191 18.938 1085 H ILE 28 H ILE 28 8.284 -9.764 17.043 1086 HA ILE 28 HA ILE 28 9.190 -7.959 15.084 1087 HB ILE 28 HB ILE 28 6.490 -9.238 15.526 1088 1HG1 ILE 28 1HG1 ILE 28 8.762 -10.088 13.708 1089 2HG1 ILE 28 2HG1 ILE 28 8.435 -10.797 15.277 1090 1HG2 ILE 28 1HG2 ILE 28 5.701 -8.151 13.761 1091 2HG2 ILE 28 2HG2 ILE 28 7.169 -7.145 13.777 1092 3HG2 ILE 28 3HG2 ILE 28 7.110 -8.618 12.779 1093 1HD1 ILE 28 1HD1 ILE 28 5.941 -10.979 14.199 1094 2HD1 ILE 28 2HD1 ILE 28 6.919 -11.068 12.714 1095 3HD1 ILE 28 3HD1 ILE 28 7.171 -12.253 14.019 1096 H GLU 29 H GLU 29 6.971 -7.706 17.881 1097 HA GLU 29 HA GLU 29 5.887 -5.251 17.137 1098 1HB GLU 29 1HB GLU 29 5.541 -7.106 19.214 1099 2HB GLU 29 2HB GLU 29 6.104 -5.669 20.043 1100 1HG GLU 29 1HG GLU 29 4.134 -4.956 18.000 1101 2HG GLU 29 2HG GLU 29 3.480 -6.175 19.076 1102 H GLU 30 H GLU 30 8.823 -6.201 18.970 1103 HA GLU 30 HA GLU 30 9.403 -3.687 19.973 1104 1HB GLU 30 1HB GLU 30 11.160 -6.077 19.292 1105 2HB GLU 30 2HB GLU 30 11.800 -4.636 20.058 1106 1HG GLU 30 1HG GLU 30 9.605 -5.115 21.653 1107 2HG GLU 30 2HG GLU 30 10.020 -6.752 21.184 1108 H LEU 31 H LEU 31 10.078 -5.247 16.818 1109 HA LEU 31 HA LEU 31 11.912 -3.314 15.917 1110 1HB LEU 31 1HB LEU 31 10.468 -5.628 14.862 1111 2HB LEU 31 2HB LEU 31 10.708 -4.367 13.669 1112 HG LEU 31 HG LEU 31 12.531 -5.846 13.448 1113 1HD1 LEU 31 1HD1 LEU 31 13.818 -3.737 15.154 1114 2HD1 LEU 31 2HD1 LEU 31 14.342 -4.420 13.596 1115 3HD1 LEU 31 3HD1 LEU 31 12.972 -3.286 13.654 1116 1HD2 LEU 31 1HD2 LEU 31 13.763 -6.852 15.133 1117 2HD2 LEU 31 2HD2 LEU 31 13.339 -5.608 16.333 1118 3HD2 LEU 31 3HD2 LEU 31 12.124 -6.805 15.826 1119 H ILE 32 H ILE 32 8.330 -3.642 15.713 1120 HA ILE 32 HA ILE 32 8.029 -1.362 14.060 1121 HB ILE 32 HB ILE 32 6.069 -2.838 15.822 1122 1HG1 ILE 32 1HG1 ILE 32 6.462 -3.078 12.830 1123 2HG1 ILE 32 2HG1 ILE 32 7.249 -4.137 13.983 1124 1HG2 ILE 32 1HG2 ILE 32 5.512 -0.421 15.128 1125 2HG2 ILE 32 2HG2 ILE 32 5.350 -1.081 13.483 1126 3HG2 ILE 32 3HG2 ILE 32 4.315 -1.696 14.794 1127 1HD1 ILE 32 1HD1 ILE 32 4.401 -3.892 14.604 1128 2HD1 ILE 32 2HD1 ILE 32 4.649 -4.430 12.925 1129 3HD1 ILE 32 3HD1 ILE 32 5.359 -5.355 14.270 1130 H LYS 33 H LYS 33 7.581 -1.968 17.610 1131 HA LYS 33 HA LYS 33 6.859 0.612 18.278 1132 1HB LYS 33 1HB LYS 33 6.633 -0.414 20.234 1133 2HB LYS 33 2HB LYS 33 7.462 -1.823 19.603 1134 1HG LYS 33 1HG LYS 33 9.674 -0.672 20.144 1135 2HG LYS 33 2HG LYS 33 8.762 0.603 20.927 1136 1HD LYS 33 1HD LYS 33 8.461 -0.647 22.801 1137 2HD LYS 33 2HD LYS 33 7.846 -2.003 21.877 1138 1HE LYS 33 1HE LYS 33 9.778 -2.982 22.714 1139 2HE LYS 33 2HE LYS 33 10.431 -2.316 21.231 1140 1HZ LYS 33 1HZ LYS 33 10.414 -0.508 23.456 1141 2HZ LYS 33 2HZ LYS 33 11.398 -1.799 23.637 1142 3HZ LYS 33 3HZ LYS 33 11.588 -0.800 22.359 1143 H GLY 34 H GLY 34 10.023 -0.800 17.494 1144 1HA GLY 34 1HA GLY 34 11.544 1.405 18.525 1145 2HA GLY 34 2HA GLY 34 12.110 0.088 17.518 1146 H TYR 35 H TYR 35 10.691 0.209 15.192 1147 HA TYR 35 HA TYR 35 11.893 2.029 13.651 1148 1HB TYR 35 1HB TYR 35 9.654 0.223 13.600 1149 2HB TYR 35 2HB TYR 35 9.026 1.732 12.968 1150 HD1 TYR 35 HD1 TYR 35 10.171 -1.274 11.914 1151 HD2 TYR 35 HD2 TYR 35 11.025 2.875 11.311 1152 HE1 TYR 35 HE1 TYR 35 11.172 -1.804 9.638 1153 HE2 TYR 35 HE2 TYR 35 12.023 2.331 9.037 1154 HH TYR 35 HH TYR 35 12.294 -1.030 7.944 1155 H ALA 36 H ALA 36 8.868 2.565 15.543 1156 HA ALA 36 HA ALA 36 8.297 5.088 14.478 1157 1HB ALA 36 1HB ALA 36 6.821 5.290 16.419 1158 2HB ALA 36 2HB ALA 36 6.728 3.638 15.763 1159 3HB ALA 36 3HB ALA 36 7.673 3.958 17.237 1160 H ASN 37 H ASN 37 10.202 4.035 17.373 1161 HA ASN 37 HA ASN 37 10.743 6.599 18.254 1162 1HB ASN 37 1HB ASN 37 11.115 4.608 19.667 1163 2HB ASN 37 2HB ASN 37 12.315 3.988 18.550 1164 1HD2 ASN 37 1HD2 ASN 37 12.084 5.190 21.452 1165 2HD2 ASN 37 2HD2 ASN 37 13.515 6.154 21.603 1166 H LEU 38 H LEU 38 12.508 4.291 16.083 1167 HA LEU 38 HA LEU 38 14.777 5.897 15.720 1168 1HB LEU 38 1HB LEU 38 13.793 3.370 14.879 1169 2HB LEU 38 2HB LEU 38 14.261 4.251 13.438 1170 HG LEU 38 HG LEU 38 16.428 4.724 15.015 1171 1HD1 LEU 38 1HD1 LEU 38 16.187 1.850 15.597 1172 2HD1 LEU 38 2HD1 LEU 38 16.852 3.177 16.580 1173 3HD1 LEU 38 3HD1 LEU 38 15.096 2.890 16.543 1174 1HD2 LEU 38 1HD2 LEU 38 15.760 2.766 12.885 1175 2HD2 LEU 38 2HD2 LEU 38 17.001 4.040 12.936 1176 3HD2 LEU 38 3HD2 LEU 38 17.275 2.496 13.779 1177 H VAL 39 H VAL 39 11.680 5.565 13.889 1178 HA VAL 39 HA VAL 39 12.386 7.304 11.825 1179 HB VAL 39 HB VAL 39 9.747 6.463 13.024 1180 1HG1 VAL 39 1HG1 VAL 39 9.171 7.303 10.463 1181 2HG1 VAL 39 2HG1 VAL 39 8.832 8.215 11.954 1182 3HG1 VAL 39 3HG1 VAL 39 10.316 8.544 11.027 1183 1HG2 VAL 39 1HG2 VAL 39 11.541 5.007 11.570 1184 2HG2 VAL 39 2HG2 VAL 39 9.786 4.711 11.600 1185 3HG2 VAL 39 3HG2 VAL 39 10.505 5.665 10.280 1186 H ASN 40 H ASN 40 11.277 7.829 15.160 1187 HA ASN 40 HA ASN 40 10.512 10.494 14.755 1188 1HB ASN 40 1HB ASN 40 9.661 9.396 16.720 1189 2HB ASN 40 2HB ASN 40 11.248 8.820 17.192 1190 1HD2 ASN 40 1HD2 ASN 40 12.763 10.237 18.085 1191 2HD2 ASN 40 2HD2 ASN 40 12.315 11.744 18.814 1192 H LEU 41 H LEU 41 13.549 8.757 15.443 1193 HA LEU 41 HA LEU 41 15.001 11.024 16.336 1194 1HB LEU 41 1HB LEU 41 15.550 8.708 16.930 1195 2HB LEU 41 2HB LEU 41 15.936 8.361 15.256 1196 HG LEU 41 HG LEU 41 17.394 10.598 16.613 1197 1HD1 LEU 41 1HD1 LEU 41 19.083 8.978 17.459 1198 2HD1 LEU 41 2HD1 LEU 41 17.517 8.893 18.303 1199 3HD1 LEU 41 3HD1 LEU 41 17.946 7.659 17.094 1200 1HD2 LEU 41 1HD2 LEU 41 18.576 10.531 14.740 1201 2HD2 LEU 41 2HD2 LEU 41 19.042 8.846 15.077 1202 3HD2 LEU 41 3HD2 LEU 41 17.565 9.191 14.146 1203 H ILE 42 H ILE 42 14.643 9.293 13.182 1204 HA ILE 42 HA ILE 42 16.489 10.685 11.728 1205 HB ILE 42 HB ILE 42 13.785 9.621 10.907 1206 1HG1 ILE 42 1HG1 ILE 42 15.029 7.826 11.772 1207 2HG1 ILE 42 2HG1 ILE 42 15.234 7.726 10.035 1208 1HG2 ILE 42 1HG2 ILE 42 16.131 10.248 9.100 1209 2HG2 ILE 42 2HG2 ILE 42 14.501 9.702 8.635 1210 3HG2 ILE 42 3HG2 ILE 42 14.733 11.326 9.327 1211 1HD1 ILE 42 1HD1 ILE 42 17.368 9.289 10.564 1212 2HD1 ILE 42 2HD1 ILE 42 17.229 8.486 12.147 1213 3HD1 ILE 42 3HD1 ILE 42 17.451 7.514 10.672 1214 H GLU 43 H GLU 43 16.764 12.867 12.093 1215 HA GLU 43 HA GLU 43 14.867 14.682 12.648 1216 1HB GLU 43 1HB GLU 43 17.609 14.701 11.754 1217 2HB GLU 43 2HB GLU 43 16.749 15.957 10.886 1218 1HG GLU 43 1HG GLU 43 15.790 16.701 13.164 1219 2HG GLU 43 2HG GLU 43 16.939 15.607 13.909 1220 HA PRO 44 HA PRO 44 14.124 15.338 8.009 1221 1HB PRO 44 1HB PRO 44 15.217 13.618 6.188 1222 2HB PRO 44 2HB PRO 44 15.951 15.149 6.621 1223 1HG PRO 44 1HG PRO 44 16.752 12.419 7.420 1224 2HG PRO 44 2HG PRO 44 17.688 13.899 7.479 1225 1HD PRO 44 1HD PRO 44 16.434 12.572 9.691 1226 2HD PRO 44 2HD PRO 44 17.271 14.112 9.730 1227 H MET 45 H MET 45 12.099 14.743 8.939 1228 HA MET 45 HA MET 45 10.999 12.610 7.422 1229 1HB MET 45 1HB MET 45 12.134 11.772 9.757 1230 2HB MET 45 2HB MET 45 10.592 12.298 10.403 1231 1HG MET 45 1HG MET 45 9.818 10.236 9.797 1232 2HG MET 45 2HG MET 45 9.797 10.860 8.159 1233 1HE MET 45 1HE MET 45 9.695 8.216 8.667 1234 2HE MET 45 2HE MET 45 10.662 7.795 7.233 1235 3HE MET 45 3HE MET 45 11.139 7.188 8.837 1236 H LYS 46 H LYS 46 8.577 12.440 7.778 1237 HA LYS 46 HA LYS 46 7.562 14.991 8.826 1238 1HB LYS 46 1HB LYS 46 6.964 13.486 6.308 1239 2HB LYS 46 2HB LYS 46 5.661 14.372 7.074 1240 1HG LYS 46 1HG LYS 46 8.359 15.690 6.598 1241 2HG LYS 46 2HG LYS 46 7.163 15.615 5.319 1242 1HD LYS 46 1HD LYS 46 6.426 16.674 8.072 1243 2HD LYS 46 2HD LYS 46 7.192 17.716 6.888 1244 1HE LYS 46 1HE LYS 46 5.352 17.134 5.247 1245 2HE LYS 46 2HE LYS 46 4.568 16.196 6.502 1246 1HZ LYS 46 1HZ LYS 46 3.955 18.651 6.155 1247 2HZ LYS 46 2HZ LYS 46 4.064 18.066 7.676 1248 3HZ LYS 46 3HZ LYS 46 5.281 18.961 7.055 1249 H ALA 47 H ALA 47 6.032 11.878 7.781 1250 HA ALA 47 HA ALA 47 5.276 11.378 10.543 1251 1HB ALA 47 1HB ALA 47 3.512 12.528 8.537 1252 2HB ALA 47 2HB ALA 47 2.918 10.934 9.061 1253 3HB ALA 47 3HB ALA 47 3.208 12.216 10.262 1254 H PHE 48 H PHE 48 4.647 9.148 10.900 1255 HA PHE 48 HA PHE 48 5.365 7.427 8.631 1256 1HB PHE 48 1HB PHE 48 7.039 7.530 10.536 1257 2HB PHE 48 2HB PHE 48 5.767 7.111 11.667 1258 HD1 PHE 48 HD1 PHE 48 6.062 4.982 12.479 1259 HD2 PHE 48 HD2 PHE 48 6.841 5.705 8.371 1260 HE1 PHE 48 HE1 PHE 48 6.568 2.546 12.147 1261 HE2 PHE 48 HE2 PHE 48 7.346 3.269 8.038 1262 HZ PHE 48 HZ PHE 48 7.204 1.719 9.930 1263 H HIS 49 H HIS 49 3.674 6.227 7.916 1264 HA HIS 49 HA HIS 49 1.613 5.577 9.896 1265 1HB HIS 49 1HB HIS 49 1.422 6.897 7.378 1266 2HB HIS 49 2HB HIS 49 0.656 5.331 7.201 1267 HD1 HIS 49 HD1 HIS 49 -0.108 8.686 8.196 1268 HD2 HIS 49 HD2 HIS 49 -1.286 4.886 9.526 1269 HE1 HIS 49 HE1 HIS 49 -2.271 9.026 9.505 1270 HE2 HIS 49 HE2 HIS 49 -2.976 6.650 10.250 1271 H TRP 50 H TRP 50 0.723 3.436 9.865 1272 HA TRP 50 HA TRP 50 2.083 1.534 8.117 1273 1HB TRP 50 1HB TRP 50 3.024 0.275 9.739 1274 2HB TRP 50 2HB TRP 50 3.183 1.853 10.485 1275 HD1 TRP 50 HD1 TRP 50 1.093 2.428 12.367 1276 HE1 TRP 50 HE1 TRP 50 -0.065 0.877 14.161 1277 HE3 TRP 50 HE3 TRP 50 2.395 -1.971 10.175 1278 HZ2 TRP 50 HZ2 TRP 50 -0.300 -1.951 14.456 1279 HZ3 TRP 50 HZ3 TRP 50 1.662 -4.082 11.281 1280 HH2 TRP 50 HH2 TRP 50 0.359 -4.119 13.348 1281 H GLY 51 H GLY 51 0.783 -0.358 7.726 1282 1HA GLY 51 1HA GLY 51 -1.824 -0.496 9.039 1283 2HA GLY 51 2HA GLY 51 -1.815 -0.180 7.316 1284 H LYS 52 H LYS 52 -2.472 -2.610 9.262 1285 HA LYS 52 HA LYS 52 -0.915 -4.584 7.743 1286 1HB LYS 52 1HB LYS 52 -1.033 -6.048 9.588 1287 2HB LYS 52 2HB LYS 52 -0.590 -4.487 10.250 1288 1HG LYS 52 1HG LYS 52 -2.920 -4.062 10.939 1289 2HG LYS 52 2HG LYS 52 -3.458 -5.534 10.155 1290 1HD LYS 52 1HD LYS 52 -1.549 -5.355 12.533 1291 2HD LYS 52 2HD LYS 52 -3.212 -5.906 12.582 1292 1HE LYS 52 1HE LYS 52 -2.066 -7.510 10.580 1293 2HE LYS 52 2HE LYS 52 -0.780 -7.367 11.761 1294 1HZ LYS 52 1HZ LYS 52 -3.455 -7.929 12.730 1295 2HZ LYS 52 2HZ LYS 52 -2.631 -9.141 12.010 1296 3HZ LYS 52 3HZ LYS 52 -2.013 -8.405 13.331 1297 H ASP 53 H ASP 53 -2.050 -6.480 6.953 1298 HA ASP 53 HA ASP 53 -4.349 -5.887 5.652 1299 1HB ASP 53 1HB ASP 53 -4.614 -8.553 5.762 1300 2HB ASP 53 2HB ASP 53 -3.352 -7.799 4.810 1301 H VAL 54 H VAL 54 -6.164 -5.124 6.816 1302 HA VAL 54 HA VAL 54 -7.041 -6.776 9.080 1303 HB VAL 54 HB VAL 54 -7.460 -3.857 8.420 1304 1HG1 VAL 54 1HG1 VAL 54 -8.903 -3.633 10.276 1305 2HG1 VAL 54 2HG1 VAL 54 -9.492 -5.068 9.403 1306 3HG1 VAL 54 3HG1 VAL 54 -8.519 -5.263 10.880 1307 1HG2 VAL 54 1HG2 VAL 54 -5.547 -5.324 10.045 1308 2HG2 VAL 54 2HG2 VAL 54 -5.574 -3.602 9.592 1309 3HG2 VAL 54 3HG2 VAL 54 -6.472 -4.160 11.024 1310 H SER 55 H SER 55 -8.706 -8.114 8.634 1311 HA SER 55 HA SER 55 -11.086 -7.358 7.668 1312 1HB SER 55 1HB SER 55 -9.166 -7.570 5.482 1313 2HB SER 55 2HB SER 55 -10.446 -8.749 5.272 1314 HG SER 55 HG SER 55 -10.856 -5.919 5.754 1315 H ILE 56 H ILE 56 -9.181 -10.063 6.194 1316 HA ILE 56 HA ILE 56 -10.740 -11.894 7.881 1317 HB ILE 56 HB ILE 56 -9.651 -12.277 5.090 1318 1HG1 ILE 56 1HG1 ILE 56 -11.661 -10.791 5.323 1319 2HG1 ILE 56 2HG1 ILE 56 -11.897 -12.212 4.326 1320 1HG2 ILE 56 1HG2 ILE 56 -11.148 -14.188 6.902 1321 2HG2 ILE 56 2HG2 ILE 56 -10.863 -14.442 5.164 1322 3HG2 ILE 56 3HG2 ILE 56 -9.486 -14.359 6.289 1323 1HD1 ILE 56 1HD1 ILE 56 -12.637 -12.128 7.283 1324 2HD1 ILE 56 2HD1 ILE 56 -13.778 -11.734 5.975 1325 3HD1 ILE 56 3HD1 ILE 56 -13.087 -13.371 6.091 1326 H GLU 57 H GLU 57 -7.643 -10.574 7.173 1327 HA GLU 57 HA GLU 57 -5.579 -11.263 7.533 1328 1HB GLU 57 1HB GLU 57 -6.182 -10.446 9.725 1329 2HB GLU 57 2HB GLU 57 -7.003 -11.939 10.136 1330 1HG GLU 57 1HG GLU 57 -5.030 -13.074 10.583 1331 2HG GLU 57 2HG GLU 57 -4.124 -12.214 9.354 1332 H ASN 58 H ASN 58 -6.433 -13.119 5.839 1333 HA ASN 58 HA ASN 58 -5.165 -15.475 6.836 1334 1HB ASN 58 1HB ASN 58 -7.837 -15.505 7.217 1335 2HB ASN 58 2HB ASN 58 -7.854 -15.927 5.516 1336 1HD2 ASN 58 1HD2 ASN 58 -8.758 -17.934 6.191 1337 2HD2 ASN 58 2HD2 ASN 58 -7.756 -19.227 6.759 1338 H LEU 59 H LEU 59 -7.499 -14.521 4.191 1339 HA LEU 59 HA LEU 59 -6.098 -15.836 2.167 1340 1HB LEU 59 1HB LEU 59 -8.365 -13.986 2.414 1341 2HB LEU 59 2HB LEU 59 -7.502 -13.857 0.895 1342 HG LEU 59 HG LEU 59 -9.538 -15.495 1.176 1343 1HD1 LEU 59 1HD1 LEU 59 -7.035 -16.413 -0.261 1344 2HD1 LEU 59 2HD1 LEU 59 -8.722 -16.821 -0.655 1345 3HD1 LEU 59 3HD1 LEU 59 -8.141 -15.150 -0.853 1346 1HD2 LEU 59 1HD2 LEU 59 -9.201 -17.564 2.077 1347 2HD2 LEU 59 2HD2 LEU 59 -7.445 -17.535 1.787 1348 3HD2 LEU 59 3HD2 LEU 59 -8.141 -16.604 3.136 1349 H HIS 60 H HIS 60 -3.869 -15.368 2.275 1350 HA HIS 60 HA HIS 60 -3.142 -13.022 0.863 1351 1HB HIS 60 1HB HIS 60 -1.643 -12.095 2.619 1352 2HB HIS 60 2HB HIS 60 -3.352 -11.905 2.956 1353 HD1 HIS 60 HD1 HIS 60 -0.393 -14.087 3.983 1354 HD2 HIS 60 HD2 HIS 60 -4.195 -12.971 5.362 1355 HE1 HIS 60 HE1 HIS 60 -0.596 -15.016 6.351 1356 HE2 HIS 60 HE2 HIS 60 -2.930 -14.252 7.166 1357 H GLN 61 H GLN 61 -0.905 -13.119 0.143 1358 HA GLN 61 HA GLN 61 -0.034 -15.822 -0.003 1359 1HB GLN 61 1HB GLN 61 0.271 -13.440 -1.551 1360 2HB GLN 61 2HB GLN 61 1.887 -13.938 -1.090 1361 1HG GLN 61 1HG GLN 61 1.747 -15.372 -2.860 1362 2HG GLN 61 2HG GLN 61 0.778 -16.368 -1.792 1363 1HE2 GLN 61 1HE2 GLN 61 -1.550 -16.010 -1.759 1364 2HE2 GLN 61 2HE2 GLN 61 -2.372 -15.557 -3.214 1365 H GLY 62 H GLY 62 0.324 -13.397 2.301 1366 1HA GLY 62 1HA GLY 62 1.579 -13.960 4.265 1367 2HA GLY 62 2HA GLY 62 2.861 -14.581 3.245 1368 H TYR 63 H TYR 63 1.067 -11.584 2.475 1369 HA TYR 63 HA TYR 63 3.428 -10.101 2.177 1370 1HB TYR 63 1HB TYR 63 0.421 -9.721 2.323 1371 2HB TYR 63 2HB TYR 63 1.385 -8.268 2.495 1372 HD1 TYR 63 HD1 TYR 63 2.924 -7.566 0.628 1373 HD2 TYR 63 HD2 TYR 63 0.117 -10.766 0.191 1374 HE1 TYR 63 HE1 TYR 63 3.126 -7.409 -1.902 1375 HE2 TYR 63 HE2 TYR 63 0.330 -10.598 -2.337 1376 HH TYR 63 HH TYR 63 2.208 -8.014 -3.819 1377 H THR 64 H THR 64 1.307 -10.735 4.951 1378 HA THR 64 HA THR 64 1.584 -10.271 7.115 1379 HB THR 64 HB THR 64 4.171 -8.804 6.433 1380 HG1 THR 64 HG1 THR 64 3.495 -11.649 6.703 1381 1HG2 THR 64 1HG2 THR 64 4.611 -9.052 8.663 1382 2HG2 THR 64 2HG2 THR 64 2.923 -9.575 8.875 1383 3HG2 THR 64 3HG2 THR 64 4.200 -10.782 8.589 1384 H HIS 65 H HIS 65 2.765 -7.426 5.193 1385 HA HIS 65 HA HIS 65 0.545 -5.902 5.525 1386 1HB HIS 65 1HB HIS 65 1.326 -4.328 7.375 1387 2HB HIS 65 2HB HIS 65 0.620 -5.859 7.855 1388 HD1 HIS 65 HD1 HIS 65 2.056 -7.447 9.241 1389 HD2 HIS 65 HD2 HIS 65 4.216 -4.205 7.687 1390 HE1 HIS 65 HE1 HIS 65 4.350 -7.516 10.356 1391 HE2 HIS 65 HE2 HIS 65 5.651 -5.533 9.321 1392 H ILE 66 H ILE 66 1.271 -3.358 5.472 1393 HA ILE 66 HA ILE 66 3.750 -3.229 3.916 1394 HB ILE 66 HB ILE 66 2.710 -1.882 2.241 1395 1HG1 ILE 66 1HG1 ILE 66 -0.070 -2.142 2.729 1396 2HG1 ILE 66 2HG1 ILE 66 0.638 -1.546 4.216 1397 1HG2 ILE 66 1HG2 ILE 66 0.665 -3.965 2.187 1398 2HG2 ILE 66 2HG2 ILE 66 2.027 -3.659 1.083 1399 3HG2 ILE 66 3HG2 ILE 66 2.284 -4.594 2.576 1400 1HD1 ILE 66 1HD1 ILE 66 1.988 0.011 2.421 1401 2HD1 ILE 66 2HD1 ILE 66 0.462 -0.238 1.539 1402 3HD1 ILE 66 3HD1 ILE 66 0.443 0.488 3.164 1403 H PHE 67 H PHE 67 4.787 -1.124 3.942 1404 HA PHE 67 HA PHE 67 3.763 0.594 6.090 1405 1HB PHE 67 1HB PHE 67 6.618 -0.299 5.368 1406 2HB PHE 67 2HB PHE 67 6.282 0.954 6.546 1407 HD1 PHE 67 HD1 PHE 67 6.996 -2.424 6.168 1408 HD2 PHE 67 HD2 PHE 67 4.534 0.186 8.434 1409 HE1 PHE 67 HE1 PHE 67 6.805 -4.165 7.966 1410 HE2 PHE 67 HE2 PHE 67 4.343 -1.555 10.232 1411 HZ PHE 67 HZ PHE 67 5.481 -3.710 9.977 1412 H GLU 68 H GLU 68 3.628 2.753 5.598 1413 HA GLU 68 HA GLU 68 4.989 3.561 3.147 1414 1HB GLU 68 1HB GLU 68 3.070 5.091 2.707 1415 2HB GLU 68 2HB GLU 68 2.587 3.407 2.715 1416 1HG GLU 68 1HG GLU 68 1.517 3.582 4.827 1417 2HG GLU 68 2HG GLU 68 2.418 5.016 5.278 1418 H SER 69 H SER 69 6.107 5.534 3.196 1419 HA SER 69 HA SER 69 6.076 6.829 5.810 1420 1HB SER 69 1HB SER 69 8.223 5.655 5.067 1421 2HB SER 69 2HB SER 69 8.354 6.844 3.786 1422 HG SER 69 HG SER 69 9.555 7.709 5.443 1423 H THR 70 H THR 70 5.182 8.857 5.805 1424 HA THR 70 HA THR 70 4.638 10.141 3.283 1425 HB THR 70 HB THR 70 4.091 10.874 6.208 1426 HG1 THR 70 HG1 THR 70 1.948 10.080 5.432 1427 1HG2 THR 70 1HG2 THR 70 2.451 11.889 3.895 1428 2HG2 THR 70 2HG2 THR 70 2.769 12.651 5.472 1429 3HG2 THR 70 3HG2 THR 70 4.007 12.701 4.194 1430 H PHE 71 H PHE 71 5.845 11.599 2.249 1431 HA PHE 71 HA PHE 71 7.814 13.052 3.861 1432 1HB PHE 71 1HB PHE 71 8.062 11.239 1.478 1433 2HB PHE 71 2HB PHE 71 8.924 12.755 1.302 1434 HD1 PHE 71 HD1 PHE 71 10.649 13.374 3.050 1435 HD2 PHE 71 HD2 PHE 71 8.936 9.499 2.806 1436 HE1 PHE 71 HE1 PHE 71 12.554 12.447 4.397 1437 HE2 PHE 71 HE2 PHE 71 10.840 8.572 4.153 1438 HZ PHE 71 HZ PHE 71 12.627 10.057 4.931 1439 H GLU 72 H GLU 72 8.792 14.923 2.373 1440 HA GLU 72 HA GLU 72 6.536 16.056 0.910 1441 1HB GLU 72 1HB GLU 72 7.577 18.321 1.720 1442 2HB GLU 72 2HB GLU 72 6.580 17.400 2.828 1443 1HG GLU 72 1HG GLU 72 8.700 16.328 3.744 1444 2HG GLU 72 2HG GLU 72 9.632 17.407 2.725 1445 H SER 73 H SER 73 9.173 14.494 0.251 1446 HA SER 73 HA SER 73 9.680 15.878 -2.111 1447 1HB SER 73 1HB SER 73 11.048 17.455 -1.046 1448 2HB SER 73 2HB SER 73 11.594 16.322 0.174 1449 HG SER 73 HG SER 73 13.355 16.325 -1.091 1450 H LYS 74 H LYS 74 10.243 14.279 -3.554 1451 HA LYS 74 HA LYS 74 10.618 11.656 -2.697 1452 1HB LYS 74 1HB LYS 74 9.686 11.988 -4.831 1453 2HB LYS 74 2HB LYS 74 10.962 13.079 -5.332 1454 1HG LYS 74 1HG LYS 74 12.602 11.225 -5.329 1455 2HG LYS 74 2HG LYS 74 11.392 10.119 -4.711 1456 1HD LYS 74 1HD LYS 74 10.018 10.465 -6.772 1457 2HD LYS 74 2HD LYS 74 11.219 11.581 -7.389 1458 1HE LYS 74 1HE LYS 74 12.502 9.876 -8.169 1459 2HE LYS 74 2HE LYS 74 12.531 9.106 -6.595 1460 1HZ LYS 74 1HZ LYS 74 10.316 8.218 -7.119 1461 2HZ LYS 74 2HZ LYS 74 10.430 8.831 -8.628 1462 3HZ LYS 74 3HZ LYS 74 11.475 7.677 -8.134 1463 H GLU 75 H GLU 75 12.917 14.278 -3.535 1464 HA GLU 75 HA GLU 75 15.172 12.678 -3.636 1465 1HB GLU 75 1HB GLU 75 14.752 15.620 -2.991 1466 2HB GLU 75 2HB GLU 75 16.354 14.913 -3.050 1467 1HG GLU 75 1HG GLU 75 15.930 14.142 -5.393 1468 2HG GLU 75 2HG GLU 75 14.326 14.845 -5.335 1469 H ALA 76 H ALA 76 13.398 14.182 -0.917 1470 HA ALA 76 HA ALA 76 15.367 13.854 1.037 1471 1HB ALA 76 1HB ALA 76 12.481 14.450 0.860 1472 2HB ALA 76 2HB ALA 76 12.956 13.626 2.365 1473 3HB ALA 76 3HB ALA 76 13.733 15.160 1.907 1474 H VAL 77 H VAL 77 12.945 11.640 -0.391 1475 HA VAL 77 HA VAL 77 13.169 9.634 1.557 1476 HB VAL 77 HB VAL 77 12.414 9.525 -1.369 1477 1HG1 VAL 77 1HG1 VAL 77 13.017 7.301 -0.553 1478 2HG1 VAL 77 2HG1 VAL 77 11.930 7.500 0.842 1479 3HG1 VAL 77 3HG1 VAL 77 11.259 7.420 -0.804 1480 1HG2 VAL 77 1HG2 VAL 77 11.010 10.384 1.083 1481 2HG2 VAL 77 2HG2 VAL 77 10.696 10.783 -0.623 1482 3HG2 VAL 77 3HG2 VAL 77 10.098 9.251 0.057 1483 H ALA 78 H ALA 78 14.918 10.289 -1.533 1484 HA ALA 78 HA ALA 78 16.410 7.958 -1.599 1485 1HB ALA 78 1HB ALA 78 16.139 10.239 -3.122 1486 2HB ALA 78 2HB ALA 78 17.792 10.416 -2.486 1487 3HB ALA 78 3HB ALA 78 17.343 8.960 -3.407 1488 H GLU 79 H GLU 79 16.784 10.962 0.300 1489 HA GLU 79 HA GLU 79 19.401 10.311 1.139 1490 1HB GLU 79 1HB GLU 79 17.546 12.515 1.407 1491 2HB GLU 79 2HB GLU 79 18.157 12.105 2.997 1492 1HG GLU 79 1HG GLU 79 20.262 12.858 2.517 1493 2HG GLU 79 2HG GLU 79 20.279 12.089 0.943 1494 H TYR 80 H TYR 80 16.087 10.029 2.557 1495 HA TYR 80 HA TYR 80 16.881 9.089 5.060 1496 1HB TYR 80 1HB TYR 80 14.599 9.772 4.760 1497 2HB TYR 80 2HB TYR 80 14.480 8.995 3.194 1498 HD1 TYR 80 HD1 TYR 80 13.008 7.215 3.096 1499 HD2 TYR 80 HD2 TYR 80 15.148 7.910 6.735 1500 HE1 TYR 80 HE1 TYR 80 11.831 5.237 4.175 1501 HE2 TYR 80 HE2 TYR 80 13.963 5.929 7.801 1502 HH TYR 80 HH TYR 80 12.158 3.698 5.947 1503 H ILE 81 H ILE 81 16.293 7.411 1.933 1504 HA ILE 81 HA ILE 81 16.433 4.817 3.064 1505 HB ILE 81 HB ILE 81 16.728 5.810 0.227 1506 1HG1 ILE 81 1HG1 ILE 81 14.547 6.239 1.479 1507 2HG1 ILE 81 2HG1 ILE 81 14.440 5.407 -0.060 1508 1HG2 ILE 81 1HG2 ILE 81 16.159 3.431 -0.365 1509 2HG2 ILE 81 2HG2 ILE 81 17.784 3.681 0.316 1510 3HG2 ILE 81 3HG2 ILE 81 16.489 3.004 1.331 1511 1HD1 ILE 81 1HD1 ILE 81 14.795 3.643 2.328 1512 2HD1 ILE 81 2HD1 ILE 81 13.240 4.502 2.212 1513 3HD1 ILE 81 3HD1 ILE 81 13.762 3.424 0.896 1514 H ALA 82 H ALA 82 18.772 7.266 2.210 1515 HA ALA 82 HA ALA 82 20.905 5.252 2.267 1516 1HB ALA 82 1HB ALA 82 20.393 7.485 0.603 1517 2HB ALA 82 2HB ALA 82 21.767 7.947 1.635 1518 3HB ALA 82 3HB ALA 82 21.857 6.474 0.640 1519 H HIS 83 H HIS 83 19.530 5.807 4.691 1520 HA HIS 83 HA HIS 83 21.342 7.640 6.059 1521 1HB HIS 83 1HB HIS 83 18.644 7.523 6.150 1522 2HB HIS 83 2HB HIS 83 19.019 6.436 7.472 1523 HD1 HIS 83 HD1 HIS 83 19.785 7.467 9.671 1524 HD2 HIS 83 HD2 HIS 83 19.664 10.229 6.516 1525 HE1 HIS 83 HE1 HIS 83 20.148 9.766 10.719 1526 HE2 HIS 83 HE2 HIS 83 20.118 11.415 8.725 1527 HA PRO 84 HA PRO 84 23.362 4.260 7.860 1528 1HB PRO 84 1HB PRO 84 24.645 5.507 9.925 1529 2HB PRO 84 2HB PRO 84 25.241 5.523 8.278 1530 1HG PRO 84 1HG PRO 84 23.912 7.689 9.788 1531 2HG PRO 84 2HG PRO 84 24.880 7.800 8.331 1532 1HD PRO 84 1HD PRO 84 22.021 7.947 8.508 1533 2HD PRO 84 2HD PRO 84 22.981 7.942 7.042 1534 H ALA 85 H ALA 85 21.450 6.308 9.948 1535 HA ALA 85 HA ALA 85 21.342 4.543 12.104 1536 1HB ALA 85 1HB ALA 85 20.602 7.048 11.791 1537 2HB ALA 85 2HB ALA 85 19.041 6.332 11.325 1538 3HB ALA 85 3HB ALA 85 19.724 6.007 12.936 1539 H HIS 86 H HIS 86 19.243 4.919 9.179 1540 HA HIS 86 HA HIS 86 17.517 2.823 9.991 1541 1HB HIS 86 1HB HIS 86 16.371 4.180 8.597 1542 2HB HIS 86 2HB HIS 86 17.799 4.669 7.707 1543 HD1 HIS 86 HD1 HIS 86 15.017 2.158 7.705 1544 HD2 HIS 86 HD2 HIS 86 18.472 3.007 5.484 1545 HE1 HIS 86 HE1 HIS 86 14.842 0.788 5.560 1546 HE2 HIS 86 HE2 HIS 86 16.967 1.393 4.212 1547 H VAL 87 H VAL 87 20.412 3.124 7.889 1548 HA VAL 87 HA VAL 87 20.254 0.586 6.739 1549 HB VAL 87 HB VAL 87 22.358 2.652 7.192 1550 1HG1 VAL 87 1HG1 VAL 87 22.922 -0.172 6.233 1551 2HG1 VAL 87 2HG1 VAL 87 24.028 1.206 6.024 1552 3HG1 VAL 87 3HG1 VAL 87 23.609 0.641 7.659 1553 1HG2 VAL 87 1HG2 VAL 87 22.167 3.034 4.950 1554 2HG2 VAL 87 2HG2 VAL 87 21.856 1.323 4.568 1555 3HG2 VAL 87 3HG2 VAL 87 20.554 2.337 5.235 1556 H GLU 88 H GLU 88 21.281 1.729 9.935 1557 HA GLU 88 HA GLU 88 22.775 -0.533 10.598 1558 1HB GLU 88 1HB GLU 88 22.558 1.849 11.736 1559 2HB GLU 88 2HB GLU 88 21.271 1.095 12.657 1560 1HG GLU 88 1HG GLU 88 22.732 -0.125 13.918 1561 2HG GLU 88 2HG GLU 88 23.669 -0.615 12.520 1562 H PHE 89 H PHE 89 19.299 0.337 10.934 1563 HA PHE 89 HA PHE 89 18.653 -1.961 12.459 1564 1HB PHE 89 1HB PHE 89 17.493 0.480 11.557 1565 2HB PHE 89 2HB PHE 89 16.545 -0.751 10.747 1566 HD1 PHE 89 HD1 PHE 89 18.072 -0.919 14.132 1567 HD2 PHE 89 HD2 PHE 89 14.497 -0.650 11.863 1568 HE1 PHE 89 HE1 PHE 89 16.722 -1.253 16.221 1569 HE2 PHE 89 HE2 PHE 89 13.146 -0.984 13.952 1570 HZ PHE 89 HZ PHE 89 14.275 -1.282 16.106 1571 H ALA 90 H ALA 90 18.656 -1.127 8.962 1572 HA ALA 90 HA ALA 90 17.182 -3.288 8.046 1573 1HB ALA 90 1HB ALA 90 17.535 -1.849 6.324 1574 2HB ALA 90 2HB ALA 90 19.094 -1.294 6.978 1575 3HB ALA 90 3HB ALA 90 19.007 -2.810 6.048 1576 H THR 91 H THR 91 20.581 -2.999 9.108 1577 HA THR 91 HA THR 91 21.457 -5.458 8.041 1578 HB THR 91 HB THR 91 22.386 -3.618 10.299 1579 HG1 THR 91 HG1 THR 91 23.140 -2.697 8.434 1580 1HG2 THR 91 1HG2 THR 91 24.031 -5.102 10.860 1581 2HG2 THR 91 2HG2 THR 91 23.188 -6.335 9.891 1582 3HG2 THR 91 3HG2 THR 91 24.449 -5.326 9.144 1583 H ILE 92 H ILE 92 19.894 -4.551 11.145 1584 HA ILE 92 HA ILE 92 20.198 -7.193 12.189 1585 HB ILE 92 HB ILE 92 18.835 -4.670 13.052 1586 1HG1 ILE 92 1HG1 ILE 92 20.750 -6.320 14.672 1587 2HG1 ILE 92 2HG1 ILE 92 21.364 -5.355 13.345 1588 1HG2 ILE 92 1HG2 ILE 92 18.093 -7.406 13.831 1589 2HG2 ILE 92 2HG2 ILE 92 18.477 -6.330 15.196 1590 3HG2 ILE 92 3HG2 ILE 92 17.216 -5.870 14.028 1591 1HD1 ILE 92 1HD1 ILE 92 19.737 -3.505 14.521 1592 2HD1 ILE 92 2HD1 ILE 92 20.181 -4.479 15.943 1593 3HD1 ILE 92 3HD1 ILE 92 21.450 -3.716 14.955 1594 H PHE 93 H PHE 93 17.771 -5.364 10.327 1595 HA PHE 93 HA PHE 93 15.625 -7.096 10.758 1596 1HB PHE 93 1HB PHE 93 16.236 -4.714 9.394 1597 2HB PHE 93 2HB PHE 93 15.969 -5.824 8.064 1598 HD1 PHE 93 HD1 PHE 93 14.279 -5.484 11.378 1599 HD2 PHE 93 HD2 PHE 93 13.899 -5.371 7.153 1600 HE1 PHE 93 HE1 PHE 93 11.800 -5.166 11.610 1601 HE2 PHE 93 HE2 PHE 93 11.420 -5.052 7.385 1602 HZ PHE 93 HZ PHE 93 10.400 -4.953 9.610 1603 H LEU 94 H LEU 94 18.433 -7.218 8.557 1604 HA LEU 94 HA LEU 94 17.464 -9.042 6.718 1605 1HB LEU 94 1HB LEU 94 20.120 -8.148 7.683 1606 2HB LEU 94 2HB LEU 94 20.077 -9.674 6.823 1607 HG LEU 94 HG LEU 94 18.840 -7.165 5.681 1608 1HD1 LEU 94 1HD1 LEU 94 21.583 -7.520 6.222 1609 2HD1 LEU 94 2HD1 LEU 94 21.377 -7.785 4.474 1610 3HD1 LEU 94 3HD1 LEU 94 20.813 -6.269 5.216 1611 1HD2 LEU 94 1HD2 LEU 94 19.960 -9.538 4.193 1612 2HD2 LEU 94 2HD2 LEU 94 18.286 -9.499 4.795 1613 3HD2 LEU 94 3HD2 LEU 94 18.837 -8.282 3.619 1614 H GLY 95 H GLY 95 18.395 -9.427 10.097 1615 1HA GLY 95 1HA GLY 95 18.965 -12.170 10.123 1616 2HA GLY 95 2HA GLY 95 18.392 -11.206 11.469 1617 H SER 96 H SER 96 15.877 -10.323 10.185 1618 HA SER 96 HA SER 96 14.533 -12.878 9.861 1619 1HB SER 96 1HB SER 96 12.767 -12.260 11.403 1620 2HB SER 96 2HB SER 96 14.298 -12.100 12.240 1621 HG SER 96 HG SER 96 12.395 -10.181 11.723 1622 H LEU 97 H LEU 97 15.012 -11.759 7.584 1623 HA LEU 97 HA LEU 97 12.728 -10.003 7.000 1624 1HB LEU 97 1HB LEU 97 15.028 -8.994 6.820 1625 2HB LEU 97 2HB LEU 97 15.351 -10.115 5.513 1626 HG LEU 97 HG LEU 97 13.098 -9.052 4.540 1627 1HD1 LEU 97 1HD1 LEU 97 14.065 -6.474 5.491 1628 2HD1 LEU 97 2HD1 LEU 97 12.409 -7.121 5.407 1629 3HD1 LEU 97 3HD1 LEU 97 13.439 -7.491 6.810 1630 1HD2 LEU 97 1HD2 LEU 97 15.918 -8.675 4.143 1631 2HD2 LEU 97 2HD2 LEU 97 14.589 -8.607 2.961 1632 3HD2 LEU 97 3HD2 LEU 97 15.063 -7.141 3.853 1633 H ASP 98 H ASP 98 11.132 -11.172 6.079 1634 HA ASP 98 HA ASP 98 11.823 -13.574 4.697 1635 1HB ASP 98 1HB ASP 98 9.826 -13.504 6.139 1636 2HB ASP 98 2HB ASP 98 9.166 -12.164 5.223 1637 H LYS 99 H LYS 99 9.834 -10.596 3.966 1638 HA LYS 99 HA LYS 99 10.849 -10.719 1.221 1639 1HB LYS 99 1HB LYS 99 7.961 -10.494 2.095 1640 2HB LYS 99 2HB LYS 99 8.508 -9.996 0.507 1641 1HG LYS 99 1HG LYS 99 9.681 -12.499 0.724 1642 2HG LYS 99 2HG LYS 99 8.198 -12.735 1.627 1643 1HD LYS 99 1HD LYS 99 8.166 -11.416 -1.114 1644 2HD LYS 99 2HD LYS 99 8.157 -13.161 -0.954 1645 1HE LYS 99 1HE LYS 99 6.154 -11.481 0.591 1646 2HE LYS 99 2HE LYS 99 5.861 -11.871 -1.092 1647 1HZ LYS 99 1HZ LYS 99 5.106 -13.446 0.809 1648 2HZ LYS 99 2HZ LYS 99 5.626 -14.054 -0.614 1649 3HZ LYS 99 3HZ LYS 99 6.623 -14.035 0.679 1650 H VAL 100 H VAL 100 10.854 -8.622 0.120 1651 HA VAL 100 HA VAL 100 10.300 -6.310 1.751 1652 HB VAL 100 HB VAL 100 12.726 -5.520 1.185 1653 1HG1 VAL 100 1HG1 VAL 100 13.362 -5.959 3.401 1654 2HG1 VAL 100 2HG1 VAL 100 11.582 -5.970 3.456 1655 3HG1 VAL 100 3HG1 VAL 100 12.482 -7.506 3.448 1656 1HG2 VAL 100 1HG2 VAL 100 13.280 -7.588 -0.106 1657 2HG2 VAL 100 2HG2 VAL 100 14.414 -7.245 1.222 1658 3HG2 VAL 100 3HG2 VAL 100 13.180 -8.513 1.412 1659 H LEU 101 H LEU 101 9.023 -5.238 0.323 1660 HA LEU 101 HA LEU 101 10.109 -4.917 -2.383 1661 1HB LEU 101 1HB LEU 101 7.252 -5.490 -1.594 1662 2HB LEU 101 2HB LEU 101 7.740 -4.935 -3.183 1663 HG LEU 101 HG LEU 101 9.130 -6.972 -3.456 1664 1HD1 LEU 101 1HD1 LEU 101 8.410 -7.334 -0.632 1665 2HD1 LEU 101 2HD1 LEU 101 8.198 -8.793 -1.630 1666 3HD1 LEU 101 3HD1 LEU 101 9.780 -7.979 -1.567 1667 1HD2 LEU 101 1HD2 LEU 101 7.252 -8.552 -3.746 1668 2HD2 LEU 101 2HD2 LEU 101 6.203 -7.443 -2.830 1669 3HD2 LEU 101 3HD2 LEU 101 6.898 -6.929 -4.386 1670 H VAL 102 H VAL 102 10.457 -2.824 -2.895 1671 HA VAL 102 HA VAL 102 9.049 -0.834 -1.258 1672 HB VAL 102 HB VAL 102 11.672 -0.582 -2.740 1673 1HG1 VAL 102 1HG1 VAL 102 10.985 1.232 -0.496 1674 2HG1 VAL 102 2HG1 VAL 102 11.795 1.571 -2.044 1675 3HG1 VAL 102 3HG1 VAL 102 10.022 1.433 -1.979 1676 1HG2 VAL 102 1HG2 VAL 102 11.134 -1.979 -0.332 1677 2HG2 VAL 102 2HG2 VAL 102 12.717 -1.569 -1.036 1678 3HG2 VAL 102 3HG2 VAL 102 11.944 -0.461 0.123 1679 H ILE 103 H ILE 103 7.536 0.384 -2.264 1680 HA ILE 103 HA ILE 103 7.903 0.967 -5.085 1681 HB ILE 103 HB ILE 103 5.598 -0.589 -3.945 1682 1HG1 ILE 103 1HG1 ILE 103 7.627 -1.733 -4.937 1683 2HG1 ILE 103 2HG1 ILE 103 6.076 -2.172 -5.623 1684 1HG2 ILE 103 1HG2 ILE 103 4.444 1.129 -5.049 1685 2HG2 ILE 103 2HG2 ILE 103 5.630 1.198 -6.375 1686 3HG2 ILE 103 3HG2 ILE 103 4.532 -0.196 -6.235 1687 1HD1 ILE 103 1HD1 ILE 103 8.185 -0.329 -6.809 1688 2HD1 ILE 103 2HD1 ILE 103 7.514 -1.825 -7.501 1689 3HD1 ILE 103 3HD1 ILE 103 6.512 -0.357 -7.414 1690 H ASP 104 H ASP 104 6.574 2.806 -5.793 1691 HA ASP 104 HA ASP 104 5.774 4.392 -3.481 1692 1HB ASP 104 1HB ASP 104 7.677 4.951 -5.494 1693 2HB ASP 104 2HB ASP 104 6.276 5.894 -5.961 1694 H TYR 105 H TYR 105 3.780 5.638 -3.726 1695 HA TYR 105 HA TYR 105 2.186 4.845 -6.070 1696 1HB TYR 105 1HB TYR 105 1.643 4.000 -3.647 1697 2HB TYR 105 2HB TYR 105 1.315 5.671 -3.236 1698 HD1 TYR 105 HD1 TYR 105 0.304 3.084 -5.759 1699 HD2 TYR 105 HD2 TYR 105 -0.869 6.457 -3.403 1700 HE1 TYR 105 HE1 TYR 105 -2.095 2.817 -6.558 1701 HE2 TYR 105 HE2 TYR 105 -3.264 6.179 -4.210 1702 HH TYR 105 HH TYR 105 -4.515 3.646 -5.296 1703 H LYS 106 H LYS 106 0.863 6.426 -7.066 1704 HA LYS 106 HA LYS 106 1.323 9.160 -6.102 1705 1HB LYS 106 1HB LYS 106 2.202 7.988 -8.564 1706 2HB LYS 106 2HB LYS 106 0.965 9.173 -8.932 1707 1HG LYS 106 1HG LYS 106 2.934 10.044 -6.870 1708 2HG LYS 106 2HG LYS 106 3.621 9.773 -8.459 1709 1HD LYS 106 1HD LYS 106 1.562 11.195 -9.318 1710 2HD LYS 106 2HD LYS 106 1.448 11.731 -7.653 1711 1HE LYS 106 1HE LYS 106 2.856 13.254 -9.081 1712 2HE LYS 106 2HE LYS 106 3.725 12.616 -7.700 1713 1HZ LYS 106 1HZ LYS 106 5.016 11.356 -9.013 1714 2HZ LYS 106 2HZ LYS 106 3.859 11.062 -10.127 1715 3HZ LYS 106 3HZ LYS 106 4.657 12.487 -10.135 1716 HA PRO 107 HA PRO 107 -3.028 9.074 -6.169 1717 1HB PRO 107 1HB PRO 107 -3.454 11.570 -5.140 1718 2HB PRO 107 2HB PRO 107 -3.160 10.160 -4.142 1719 1HG PRO 107 1HG PRO 107 -1.328 12.388 -4.789 1720 2HG PRO 107 2HG PRO 107 -1.218 11.219 -3.489 1721 1HD PRO 107 1HD PRO 107 0.304 11.230 -5.920 1722 2HD PRO 107 2HD PRO 107 0.330 9.999 -4.673 1723 H THR 108 H THR 108 -3.624 8.870 -8.282 1724 HA THR 108 HA THR 108 -4.151 11.458 -9.535 1725 HB THR 108 HB THR 108 -2.407 9.202 -10.614 1726 HG1 THR 108 HG1 THR 108 -1.431 11.062 -9.564 1727 1HG2 THR 108 1HG2 THR 108 -2.975 9.675 -12.778 1728 2HG2 THR 108 2HG2 THR 108 -4.395 10.542 -12.144 1729 3HG2 THR 108 3HG2 THR 108 -2.883 11.425 -12.464 1730 H SER 109 H SER 109 -6.341 11.369 -9.394 1731 HA SER 109 HA SER 109 -7.602 8.883 -10.127 1732 1HB SER 109 1HB SER 109 -8.663 11.507 -9.004 1733 2HB SER 109 2HB SER 109 -9.720 10.195 -9.484 1734 HG SER 109 HG SER 109 -9.369 9.820 -7.327 1735 H VAL 110 H VAL 110 -9.448 8.914 -11.731 1736 HA VAL 110 HA VAL 110 -8.725 10.652 -13.959 1737 HB VAL 110 HB VAL 110 -10.299 8.091 -13.705 1738 1HG1 VAL 110 1HG1 VAL 110 -11.316 9.704 -15.373 1739 2HG1 VAL 110 2HG1 VAL 110 -9.793 9.595 -16.288 1740 3HG1 VAL 110 3HG1 VAL 110 -10.788 8.140 -16.039 1741 1HG2 VAL 110 1HG2 VAL 110 -7.677 8.263 -13.749 1742 2HG2 VAL 110 2HG2 VAL 110 -8.513 7.031 -14.725 1743 3HG2 VAL 110 3HG2 VAL 110 -7.922 8.524 -15.493 1744 H SER 111 H SER 111 -10.222 12.032 -14.983 1745 HA SER 111 HA SER 111 -12.180 13.051 -13.242 1746 1HB SER 111 1HB SER 111 -12.694 14.124 -15.785 1747 2HB SER 111 2HB SER 111 -11.683 14.832 -14.542 1748 HG SER 111 HG SER 111 -10.343 14.676 -16.312 1749 H LEU 112 H LEU 112 -14.352 12.547 -13.091 1750 HA LEU 112 HA LEU 112 -15.441 10.865 -15.240 1751 1HB LEU 112 1HB LEU 112 -16.825 9.789 -13.506 1752 2HB LEU 112 2HB LEU 112 -15.107 9.478 -13.352 1753 HG LEU 112 HG LEU 112 -15.356 11.618 -11.690 1754 1HD1 LEU 112 1HD1 LEU 112 -17.380 11.188 -10.283 1755 2HD1 LEU 112 2HD1 LEU 112 -17.725 11.863 -11.894 1756 3HD1 LEU 112 3HD1 LEU 112 -17.991 10.131 -11.579 1757 1HD2 LEU 112 1HD2 LEU 112 -14.832 10.156 -10.008 1758 2HD2 LEU 112 2HD2 LEU 112 -15.992 8.924 -10.558 1759 3HD2 LEU 112 3HD2 LEU 112 -14.457 9.152 -11.429 Start of MODEL 6 1 1H GLY 1 1H GLY 1 -12.244 17.027 27.254 2 1HA GLY 1 1HA GLY 1 -11.822 15.824 25.267 3 2HA GLY 1 2HA GLY 1 -13.466 15.431 25.732 4 H SER 2 H SER 2 -12.293 18.573 24.398 5 HA SER 2 HA SER 2 -14.176 18.162 22.225 6 1HB SER 2 1HB SER 2 -12.857 20.702 23.281 7 2HB SER 2 2HB SER 2 -13.956 20.658 21.917 8 HG SER 2 HG SER 2 -14.876 19.427 24.304 9 H HIS 3 H HIS 3 -13.339 17.564 20.262 10 HA HIS 3 HA HIS 3 -11.138 18.878 19.141 11 1HB HIS 3 1HB HIS 3 -9.506 17.076 19.075 12 2HB HIS 3 2HB HIS 3 -9.830 17.570 20.724 13 HD1 HIS 3 HD1 HIS 3 -9.325 14.606 18.847 14 HD2 HIS 3 HD2 HIS 3 -12.038 15.703 21.852 15 HE1 HIS 3 HE1 HIS 3 -10.200 12.429 19.849 16 HE2 HIS 3 HE2 HIS 3 -11.821 13.167 21.726 17 H MET 4 H MET 4 -12.561 19.130 17.392 18 HA MET 4 HA MET 4 -14.191 17.213 16.372 19 1HB MET 4 1HB MET 4 -12.667 19.530 15.078 20 2HB MET 4 2HB MET 4 -13.825 18.584 14.163 21 1HG MET 4 1HG MET 4 -15.450 19.102 16.205 22 2HG MET 4 2HG MET 4 -14.326 20.406 16.535 23 1HE MET 4 1HE MET 4 -15.781 18.566 13.519 24 2HE MET 4 2HE MET 4 -17.291 19.232 14.186 25 3HE MET 4 3HE MET 4 -16.674 19.819 12.623 26 H GLU 5 H GLU 5 -14.049 15.646 14.681 27 HA GLU 5 HA GLU 5 -11.326 14.747 14.266 28 1HB GLU 5 1HB GLU 5 -13.773 13.419 14.849 29 2HB GLU 5 2HB GLU 5 -13.366 12.957 13.208 30 1HG GLU 5 1HG GLU 5 -10.899 12.799 14.525 31 2HG GLU 5 2HG GLU 5 -12.026 12.242 15.746 32 H GLU 6 H GLU 6 -10.315 15.174 12.354 33 HA GLU 6 HA GLU 6 -12.016 16.001 10.157 34 1HB GLU 6 1HB GLU 6 -9.485 16.890 11.193 35 2HB GLU 6 2HB GLU 6 -9.208 16.302 9.566 36 1HG GLU 6 1HG GLU 6 -11.346 17.704 8.935 37 2HG GLU 6 2HG GLU 6 -11.092 18.505 10.472 38 H ALA 7 H ALA 7 -12.509 14.516 8.607 39 HA ALA 7 HA ALA 7 -11.647 11.957 8.515 40 1HB ALA 7 1HB ALA 7 -13.533 13.031 7.231 41 2HB ALA 7 2HB ALA 7 -12.324 13.661 6.086 42 3HB ALA 7 3HB ALA 7 -12.546 11.905 6.268 43 H LYS 8 H LYS 8 -9.992 10.768 7.496 44 HA LYS 8 HA LYS 8 -7.873 12.389 6.282 45 1HB LYS 8 1HB LYS 8 -7.681 11.361 8.823 46 2HB LYS 8 2HB LYS 8 -6.957 10.081 7.871 47 1HG LYS 8 1HG LYS 8 -6.162 12.940 7.290 48 2HG LYS 8 2HG LYS 8 -5.503 12.162 8.715 49 1HD LYS 8 1HD LYS 8 -4.224 10.667 7.491 50 2HD LYS 8 2HD LYS 8 -5.402 10.543 6.200 51 1HE LYS 8 1HE LYS 8 -3.622 11.729 5.184 52 2HE LYS 8 2HE LYS 8 -4.751 13.000 5.607 53 1HZ LYS 8 1HZ LYS 8 -2.189 12.384 6.770 54 2HZ LYS 8 2HZ LYS 8 -2.911 13.831 6.545 55 3HZ LYS 8 3HZ LYS 8 -3.339 12.894 7.811 56 H GLY 9 H GLY 9 -8.594 8.899 7.007 57 1HA GLY 9 1HA GLY 9 -7.618 8.088 4.437 58 2HA GLY 9 2HA GLY 9 -8.365 7.087 5.667 59 HA PRO 10 HA PRO 10 -10.147 7.589 6.881 60 1HB PRO 10 1HB PRO 10 -12.287 5.981 7.431 61 2HB PRO 10 2HB PRO 10 -12.355 7.729 7.520 62 1HG PRO 10 1HG PRO 10 -13.462 5.935 5.448 63 2HG PRO 10 2HG PRO 10 -13.869 7.606 5.785 64 1HD PRO 10 1HD PRO 10 -12.236 6.638 3.634 65 2HD PRO 10 2HD PRO 10 -12.549 8.313 4.040 66 H VAL 11 H VAL 11 -11.130 4.960 4.754 67 HA VAL 11 HA VAL 11 -8.950 3.415 5.971 68 HB VAL 11 HB VAL 11 -11.721 2.893 6.086 69 1HG1 VAL 11 1HG1 VAL 11 -11.637 1.987 3.827 70 2HG1 VAL 11 2HG1 VAL 11 -10.265 0.943 4.269 71 3HG1 VAL 11 3HG1 VAL 11 -11.863 0.670 5.003 72 1HG2 VAL 11 1HG2 VAL 11 -9.437 0.983 6.668 73 2HG2 VAL 11 2HG2 VAL 11 -9.917 2.324 7.735 74 3HG2 VAL 11 3HG2 VAL 11 -11.056 0.997 7.406 75 H LYS 12 H LYS 12 -7.658 2.230 4.533 76 HA LYS 12 HA LYS 12 -8.371 2.524 1.703 77 1HB LYS 12 1HB LYS 12 -5.655 3.028 2.955 78 2HB LYS 12 2HB LYS 12 -5.957 2.927 1.232 79 1HG LYS 12 1HG LYS 12 -7.759 4.776 1.621 80 2HG LYS 12 2HG LYS 12 -7.017 4.999 3.193 81 1HD LYS 12 1HD LYS 12 -4.760 5.205 1.883 82 2HD LYS 12 2HD LYS 12 -5.757 5.406 0.455 83 1HE LYS 12 1HE LYS 12 -6.525 7.496 1.106 84 2HE LYS 12 2HE LYS 12 -6.519 7.092 2.811 85 1HZ LYS 12 1HZ LYS 12 -3.915 7.004 2.130 86 2HZ LYS 12 2HZ LYS 12 -4.465 8.261 1.245 87 3HZ LYS 12 3HZ LYS 12 -4.658 8.258 2.866 88 H HIS 13 H HIS 13 -8.334 0.638 0.582 89 HA HIS 13 HA HIS 13 -7.259 -1.660 2.018 90 1HB HIS 13 1HB HIS 13 -9.478 -2.097 1.517 91 2HB HIS 13 2HB HIS 13 -9.415 -1.269 -0.026 92 HD1 HIS 13 HD1 HIS 13 -8.943 -4.601 1.557 93 HD2 HIS 13 HD2 HIS 13 -8.204 -2.801 -2.159 94 HE1 HIS 13 HE1 HIS 13 -8.495 -6.504 -0.083 95 HE2 HIS 13 HE2 HIS 13 -8.102 -5.339 -2.360 96 H VAL 14 H VAL 14 -5.548 -2.855 1.236 97 HA VAL 14 HA VAL 14 -4.276 -1.761 -1.156 98 HB VAL 14 HB VAL 14 -3.212 -3.575 1.019 99 1HG1 VAL 14 1HG1 VAL 14 -1.077 -3.367 0.058 100 2HG1 VAL 14 2HG1 VAL 14 -2.154 -3.660 -1.328 101 3HG1 VAL 14 3HG1 VAL 14 -1.574 -2.012 -0.984 102 1HG2 VAL 14 1HG2 VAL 14 -3.884 -1.074 1.515 103 2HG2 VAL 14 2HG2 VAL 14 -2.348 -1.740 2.121 104 3HG2 VAL 14 3HG2 VAL 14 -2.362 -0.718 0.664 105 H LEU 15 H LEU 15 -4.224 -2.882 -3.047 106 HA LEU 15 HA LEU 15 -4.757 -5.754 -2.907 107 1HB LEU 15 1HB LEU 15 -6.744 -5.564 -3.823 108 2HB LEU 15 2HB LEU 15 -6.612 -3.817 -3.775 109 HG LEU 15 HG LEU 15 -5.304 -4.093 -6.020 110 1HD1 LEU 15 1HD1 LEU 15 -6.560 -6.144 -7.209 111 2HD1 LEU 15 2HD1 LEU 15 -4.952 -6.286 -6.458 112 3HD1 LEU 15 3HD1 LEU 15 -6.400 -6.817 -5.569 113 1HD2 LEU 15 1HD2 LEU 15 -7.505 -2.998 -5.718 114 2HD2 LEU 15 2HD2 LEU 15 -7.354 -3.853 -7.272 115 3HD2 LEU 15 3HD2 LEU 15 -8.294 -4.577 -5.945 116 H LEU 16 H LEU 16 -3.708 -6.988 -4.518 117 HA LEU 16 HA LEU 16 -1.886 -5.428 -6.212 118 1HB LEU 16 1HB LEU 16 -0.428 -6.210 -4.629 119 2HB LEU 16 2HB LEU 16 -1.337 -7.679 -4.337 120 HG LEU 16 HG LEU 16 0.846 -8.086 -5.409 121 1HD1 LEU 16 1HD1 LEU 16 0.061 -9.885 -6.498 122 2HD1 LEU 16 2HD1 LEU 16 -1.527 -9.316 -5.930 123 3HD1 LEU 16 3HD1 LEU 16 -0.975 -8.917 -7.574 124 1HD2 LEU 16 1HD2 LEU 16 0.148 -7.276 -8.100 125 2HD2 LEU 16 2HD2 LEU 16 0.179 -5.880 -6.996 126 3HD2 LEU 16 3HD2 LEU 16 1.609 -6.930 -7.144 127 H ALA 17 H ALA 17 -1.508 -6.253 -8.316 128 HA ALA 17 HA ALA 17 -2.792 -8.718 -9.072 129 1HB ALA 17 1HB ALA 17 -4.470 -6.633 -9.076 130 2HB ALA 17 2HB ALA 17 -3.679 -6.320 -10.639 131 3HB ALA 17 3HB ALA 17 -4.510 -7.869 -10.356 132 H SER 18 H SER 18 -1.840 -9.594 -10.928 133 HA SER 18 HA SER 18 0.116 -7.857 -12.211 134 1HB SER 18 1HB SER 18 0.494 -10.517 -10.903 135 2HB SER 18 2HB SER 18 1.297 -10.315 -12.448 136 HG SER 18 HG SER 18 2.100 -9.402 -10.050 137 H PHE 19 H PHE 19 0.352 -8.159 -14.489 138 HA PHE 19 HA PHE 19 -1.852 -9.623 -15.675 139 1HB PHE 19 1HB PHE 19 0.345 -7.737 -16.721 140 2HB PHE 19 2HB PHE 19 -0.934 -8.374 -17.735 141 HD1 PHE 19 HD1 PHE 19 -3.322 -8.104 -16.112 142 HD2 PHE 19 HD2 PHE 19 -0.015 -5.470 -16.476 143 HE1 PHE 19 HE1 PHE 19 -4.791 -6.171 -15.475 144 HE2 PHE 19 HE2 PHE 19 -1.484 -3.537 -15.838 145 HZ PHE 19 HZ PHE 19 -3.854 -3.911 -15.345 146 H LYS 20 H LYS 20 -1.569 -11.715 -16.275 147 HA LYS 20 HA LYS 20 0.761 -13.097 -16.235 148 1HB LYS 20 1HB LYS 20 -1.763 -13.488 -17.847 149 2HB LYS 20 2HB LYS 20 -0.443 -14.638 -17.907 150 1HG LYS 20 1HG LYS 20 -0.551 -14.698 -15.325 151 2HG LYS 20 2HG LYS 20 -2.053 -13.805 -15.456 152 1HD LYS 20 1HD LYS 20 -1.710 -16.321 -17.099 153 2HD LYS 20 2HD LYS 20 -2.051 -16.474 -15.387 154 1HE LYS 20 1HE LYS 20 -3.961 -14.665 -15.957 155 2HE LYS 20 2HE LYS 20 -3.783 -15.319 -17.573 156 1HZ LYS 20 1HZ LYS 20 -4.437 -16.819 -15.137 157 2HZ LYS 20 2HZ LYS 20 -5.395 -16.579 -16.438 158 3HZ LYS 20 3HZ LYS 20 -4.077 -17.537 -16.559 159 H ASP 21 H ASP 21 2.010 -14.086 -18.113 160 HA ASP 21 HA ASP 21 2.843 -11.897 -19.760 161 1HB ASP 21 1HB ASP 21 4.253 -13.816 -18.512 162 2HB ASP 21 2HB ASP 21 3.961 -14.693 -20.001 163 H GLY 22 H GLY 22 1.878 -11.611 -21.775 164 1HA GLY 22 1HA GLY 22 1.656 -12.593 -23.983 165 2HA GLY 22 2HA GLY 22 1.011 -14.038 -23.230 166 H VAL 23 H VAL 23 0.060 -11.057 -21.686 167 HA VAL 23 HA VAL 23 -2.638 -11.461 -22.681 168 HB VAL 23 HB VAL 23 -1.492 -9.721 -20.489 169 1HG1 VAL 23 1HG1 VAL 23 -4.273 -10.161 -20.129 170 2HG1 VAL 23 2HG1 VAL 23 -3.433 -8.626 -20.457 171 3HG1 VAL 23 3HG1 VAL 23 -4.044 -9.613 -21.807 172 1HG2 VAL 23 1HG2 VAL 23 -1.470 -12.296 -20.267 173 2HG2 VAL 23 2HG2 VAL 23 -2.183 -11.342 -18.943 174 3HG2 VAL 23 3HG2 VAL 23 -3.239 -12.156 -20.123 175 H SER 24 H SER 24 -3.711 -10.063 -24.040 176 HA SER 24 HA SER 24 -2.235 -8.433 -25.666 177 1HB SER 24 1HB SER 24 -5.220 -8.322 -25.042 178 2HB SER 24 2HB SER 24 -4.464 -7.532 -26.412 179 HG SER 24 HG SER 24 -5.457 -9.773 -26.713 180 HA PRO 25 HA PRO 25 -1.897 -4.748 -23.368 181 1HB PRO 25 1HB PRO 25 -1.319 -2.961 -25.354 182 2HB PRO 25 2HB PRO 25 -0.122 -4.028 -24.646 183 1HG PRO 25 1HG PRO 25 -1.450 -4.221 -27.280 184 2HG PRO 25 2HG PRO 25 0.021 -5.001 -26.732 185 1HD PRO 25 1HD PRO 25 -2.565 -6.212 -27.004 186 2HD PRO 25 2HD PRO 25 -1.122 -6.958 -26.348 187 H GLU 26 H GLU 26 -3.971 -4.642 -26.187 188 HA GLU 26 HA GLU 26 -5.276 -2.316 -25.496 189 1HB GLU 26 1HB GLU 26 -5.713 -4.598 -27.326 190 2HB GLU 26 2HB GLU 26 -7.206 -3.849 -26.797 191 1HG GLU 26 1HG GLU 26 -6.852 -2.039 -28.120 192 2HG GLU 26 2HG GLU 26 -5.261 -1.778 -27.435 193 H LYS 27 H LYS 27 -5.810 -5.733 -24.513 194 HA LYS 27 HA LYS 27 -8.271 -5.307 -23.243 195 1HB LYS 27 1HB LYS 27 -6.858 -7.484 -23.935 196 2HB LYS 27 2HB LYS 27 -6.411 -7.412 -22.243 197 1HG LYS 27 1HG LYS 27 -9.306 -6.959 -22.715 198 2HG LYS 27 2HG LYS 27 -8.755 -8.536 -23.244 199 1HD LYS 27 1HD LYS 27 -7.816 -9.016 -21.021 200 2HD LYS 27 2HD LYS 27 -8.165 -7.388 -20.476 201 1HE LYS 27 1HE LYS 27 -10.078 -8.365 -19.649 202 2HE LYS 27 2HE LYS 27 -10.667 -8.110 -21.280 203 1HZ LYS 27 1HZ LYS 27 -9.835 -10.346 -21.805 204 2HZ LYS 27 2HZ LYS 27 -9.459 -10.572 -20.232 205 3HZ LYS 27 3HZ LYS 27 -11.015 -10.354 -20.677 206 H ILE 28 H ILE 28 -4.856 -5.001 -22.172 207 HA ILE 28 HA ILE 28 -5.438 -4.653 -19.454 208 HB ILE 28 HB ILE 28 -3.108 -3.779 -21.161 209 1HG1 ILE 28 1HG1 ILE 28 -3.210 -6.067 -19.193 210 2HG1 ILE 28 2HG1 ILE 28 -3.709 -6.269 -20.861 211 1HG2 ILE 28 1HG2 ILE 28 -3.761 -2.872 -18.576 212 2HG2 ILE 28 2HG2 ILE 28 -2.471 -4.081 -18.368 213 3HG2 ILE 28 3HG2 ILE 28 -2.220 -2.688 -19.447 214 1HD1 ILE 28 1HD1 ILE 28 -1.014 -6.109 -19.758 215 2HD1 ILE 28 2HD1 ILE 28 -1.531 -6.587 -21.393 216 3HD1 ILE 28 3HD1 ILE 28 -1.251 -4.870 -21.014 217 H GLU 29 H GLU 29 -5.078 -2.332 -22.200 218 HA GLU 29 HA GLU 29 -5.439 -0.086 -20.572 219 1HB GLU 29 1HB GLU 29 -4.698 -0.559 -23.209 220 2HB GLU 29 2HB GLU 29 -6.272 0.187 -23.401 221 1HG GLU 29 1HG GLU 29 -4.689 1.583 -21.359 222 2HG GLU 29 2HG GLU 29 -3.822 1.505 -22.880 223 H GLU 30 H GLU 30 -7.654 -2.101 -22.589 224 HA GLU 30 HA GLU 30 -9.873 -0.493 -22.342 225 1HB GLU 30 1HB GLU 30 -9.448 -3.446 -22.835 226 2HB GLU 30 2HB GLU 30 -11.079 -2.838 -22.625 227 1HG GLU 30 1HG GLU 30 -10.213 -0.987 -24.397 228 2HG GLU 30 2HG GLU 30 -9.110 -2.277 -24.833 229 H LEU 31 H LEU 31 -8.415 -2.871 -20.118 230 HA LEU 31 HA LEU 31 -10.674 -3.020 -18.404 231 1HB LEU 31 1HB LEU 31 -8.378 -4.460 -18.777 232 2HB LEU 31 2HB LEU 31 -8.022 -3.612 -17.285 233 HG LEU 31 HG LEU 31 -10.623 -5.095 -17.597 234 1HD1 LEU 31 1HD1 LEU 31 -9.551 -7.096 -16.622 235 2HD1 LEU 31 2HD1 LEU 31 -8.952 -6.715 -18.254 236 3HD1 LEU 31 3HD1 LEU 31 -7.962 -6.322 -16.828 237 1HD2 LEU 31 1HD2 LEU 31 -8.898 -4.289 -15.246 238 2HD2 LEU 31 2HD2 LEU 31 -10.519 -3.692 -15.674 239 3HD2 LEU 31 3HD2 LEU 31 -10.306 -5.371 -15.121 240 H ILE 32 H ILE 32 -7.542 -1.203 -18.356 241 HA ILE 32 HA ILE 32 -7.982 0.068 -15.925 242 HB ILE 32 HB ILE 32 -6.371 0.811 -18.361 243 1HG1 ILE 32 1HG1 ILE 32 -5.453 -0.220 -15.666 244 2HG1 ILE 32 2HG1 ILE 32 -5.815 -1.271 -17.022 245 1HG2 ILE 32 1HG2 ILE 32 -6.205 2.122 -15.637 246 2HG2 ILE 32 2HG2 ILE 32 -5.274 2.524 -17.100 247 3HG2 ILE 32 3HG2 ILE 32 -7.026 2.835 -17.046 248 1HD1 ILE 32 1HD1 ILE 32 -3.856 -0.774 -18.063 249 2HD1 ILE 32 2HD1 ILE 32 -4.076 0.974 -17.807 250 3HD1 ILE 32 3HD1 ILE 32 -3.361 -0.031 -16.523 251 H LYS 33 H LYS 33 -8.691 1.180 -19.308 252 HA LYS 33 HA LYS 33 -9.844 3.594 -18.559 253 1HB LYS 33 1HB LYS 33 -10.123 3.867 -20.770 254 2HB LYS 33 2HB LYS 33 -9.167 2.405 -20.905 255 1HG LYS 33 1HG LYS 33 -11.281 1.042 -20.898 256 2HG LYS 33 2HG LYS 33 -12.220 2.519 -20.811 257 1HD LYS 33 1HD LYS 33 -11.513 3.233 -22.995 258 2HD LYS 33 2HD LYS 33 -10.195 2.079 -23.038 259 1HE LYS 33 1HE LYS 33 -11.544 0.373 -23.761 260 2HE LYS 33 2HE LYS 33 -12.830 0.787 -22.645 261 1HZ LYS 33 1HZ LYS 33 -12.450 2.695 -24.737 262 2HZ LYS 33 2HZ LYS 33 -12.907 1.220 -25.269 263 3HZ LYS 33 3HZ LYS 33 -13.829 2.017 -24.182 264 H GLY 34 H GLY 34 -11.122 0.264 -18.667 265 1HA GLY 34 1HA GLY 34 -13.862 1.003 -18.387 266 2HA GLY 34 2HA GLY 34 -13.150 -0.581 -18.146 267 H TYR 35 H TYR 35 -11.365 -0.321 -16.089 268 HA TYR 35 HA TYR 35 -12.798 -0.500 -13.829 269 1HB TYR 35 1HB TYR 35 -10.034 0.070 -14.719 270 2HB TYR 35 2HB TYR 35 -10.345 0.871 -13.192 271 HD1 TYR 35 HD1 TYR 35 -8.947 -1.958 -14.504 272 HD2 TYR 35 HD2 TYR 35 -11.803 -0.835 -11.523 273 HE1 TYR 35 HE1 TYR 35 -8.524 -4.138 -13.266 274 HE2 TYR 35 HE2 TYR 35 -11.370 -3.019 -10.295 275 HH TYR 35 HH TYR 35 -9.670 -4.659 -10.091 276 H ALA 36 H ALA 36 -11.335 2.548 -15.139 277 HA ALA 36 HA ALA 36 -12.243 4.136 -12.991 278 1HB ALA 36 1HB ALA 36 -10.344 4.733 -14.444 279 2HB ALA 36 2HB ALA 36 -11.443 4.862 -15.839 280 3HB ALA 36 3HB ALA 36 -11.592 6.002 -14.480 281 H ASN 37 H ASN 37 -13.553 3.282 -16.239 282 HA ASN 37 HA ASN 37 -15.655 5.069 -16.182 283 1HB ASN 37 1HB ASN 37 -14.769 2.813 -17.793 284 2HB ASN 37 2HB ASN 37 -16.495 2.663 -17.530 285 1HD2 ASN 37 1HD2 ASN 37 -16.372 2.989 -19.913 286 2HD2 ASN 37 2HD2 ASN 37 -16.475 4.604 -20.530 287 H LEU 38 H LEU 38 -15.116 1.849 -14.738 288 HA LEU 38 HA LEU 38 -17.824 1.273 -14.181 289 1HB LEU 38 1HB LEU 38 -15.332 -0.004 -13.991 290 2HB LEU 38 2HB LEU 38 -15.947 0.056 -12.352 291 HG LEU 38 HG LEU 38 -18.164 -0.850 -13.498 292 1HD1 LEU 38 1HD1 LEU 38 -16.070 -1.226 -15.561 293 2HD1 LEU 38 2HD1 LEU 38 -17.119 -2.627 -15.236 294 3HD1 LEU 38 3HD1 LEU 38 -17.836 -1.071 -15.720 295 1HD2 LEU 38 1HD2 LEU 38 -15.849 -2.079 -12.236 296 2HD2 LEU 38 2HD2 LEU 38 -17.585 -2.394 -12.004 297 3HD2 LEU 38 3HD2 LEU 38 -16.701 -3.208 -13.316 298 H VAL 39 H VAL 39 -15.292 3.207 -12.613 299 HA VAL 39 HA VAL 39 -16.569 3.345 -10.092 300 HB VAL 39 HB VAL 39 -14.536 5.132 -11.441 301 1HG1 VAL 39 1HG1 VAL 39 -15.107 4.927 -8.473 302 2HG1 VAL 39 2HG1 VAL 39 -14.060 6.094 -9.316 303 3HG1 VAL 39 3HG1 VAL 39 -15.827 6.173 -9.520 304 1HG2 VAL 39 1HG2 VAL 39 -14.269 2.491 -10.646 305 2HG2 VAL 39 2HG2 VAL 39 -12.944 3.657 -10.878 306 3HG2 VAL 39 3HG2 VAL 39 -13.633 3.403 -9.256 307 H ASN 40 H ASN 40 -16.973 4.970 -13.205 308 HA ASN 40 HA ASN 40 -18.317 7.201 -12.134 309 1HB ASN 40 1HB ASN 40 -17.327 7.438 -14.328 310 2HB ASN 40 2HB ASN 40 -18.091 5.976 -14.919 311 1HD2 ASN 40 1HD2 ASN 40 -19.030 9.029 -13.332 312 2HD2 ASN 40 2HD2 ASN 40 -20.383 9.397 -14.349 313 H LEU 41 H LEU 41 -19.115 3.872 -12.957 314 HA LEU 41 HA LEU 41 -21.970 4.459 -13.035 315 1HB LEU 41 1HB LEU 41 -20.375 1.965 -13.627 316 2HB LEU 41 2HB LEU 41 -22.126 2.030 -13.629 317 HG LEU 41 HG LEU 41 -20.895 4.097 -15.314 318 1HD1 LEU 41 1HD1 LEU 41 -19.332 2.869 -16.310 319 2HD1 LEU 41 2HD1 LEU 41 -19.860 1.388 -15.475 320 3HD1 LEU 41 3HD1 LEU 41 -20.650 1.886 -16.990 321 1HD2 LEU 41 1HD2 LEU 41 -23.038 3.979 -15.933 322 2HD2 LEU 41 2HD2 LEU 41 -22.546 2.558 -16.884 323 3HD2 LEU 41 3HD2 LEU 41 -23.243 2.343 -15.260 324 H ILE 42 H ILE 42 -19.626 2.279 -11.313 325 HA ILE 42 HA ILE 42 -21.407 1.336 -9.433 326 HB ILE 42 HB ILE 42 -18.429 1.776 -9.378 327 1HG1 ILE 42 1HG1 ILE 42 -19.324 0.150 -11.012 328 2HG1 ILE 42 2HG1 ILE 42 -18.296 -0.590 -9.800 329 1HG2 ILE 42 1HG2 ILE 42 -18.373 0.280 -7.408 330 2HG2 ILE 42 2HG2 ILE 42 -19.155 1.843 -7.075 331 3HG2 ILE 42 3HG2 ILE 42 -20.147 0.384 -7.307 332 1HD1 ILE 42 1HD1 ILE 42 -21.040 -0.561 -8.838 333 2HD1 ILE 42 2HD1 ILE 42 -20.971 -1.297 -10.457 334 3HD1 ILE 42 3HD1 ILE 42 -19.974 -1.955 -9.136 335 H GLU 43 H GLU 43 -22.847 2.914 -8.669 336 HA GLU 43 HA GLU 43 -22.391 5.411 -7.945 337 1HB GLU 43 1HB GLU 43 -24.297 3.338 -7.193 338 2HB GLU 43 2HB GLU 43 -24.000 4.399 -5.830 339 1HG GLU 43 1HG GLU 43 -24.337 6.367 -7.502 340 2HG GLU 43 2HG GLU 43 -24.982 5.169 -8.607 341 HA PRO 44 HA PRO 44 -20.658 4.090 -3.733 342 1HB PRO 44 1HB PRO 44 -20.134 1.456 -3.225 343 2HB PRO 44 2HB PRO 44 -21.619 2.249 -2.739 344 1HG PRO 44 1HG PRO 44 -21.174 0.347 -4.958 345 2HG PRO 44 2HG PRO 44 -22.682 0.812 -4.197 346 1HD PRO 44 1HD PRO 44 -21.696 1.703 -6.739 347 2HD PRO 44 2HD PRO 44 -23.147 2.255 -5.925 348 H MET 45 H MET 45 -18.969 5.309 -4.643 349 HA MET 45 HA MET 45 -16.545 3.991 -4.458 350 1HB MET 45 1HB MET 45 -17.797 3.474 -6.918 351 2HB MET 45 2HB MET 45 -16.764 4.835 -7.309 352 1HG MET 45 1HG MET 45 -15.842 2.236 -5.986 353 2HG MET 45 2HG MET 45 -15.586 2.667 -7.665 354 1HE MET 45 1HE MET 45 -13.425 2.136 -7.509 355 2HE MET 45 2HE MET 45 -12.176 3.386 -7.296 356 3HE MET 45 3HE MET 45 -12.558 2.273 -5.961 357 H LYS 46 H LYS 46 -15.848 5.779 -3.276 358 HA LYS 46 HA LYS 46 -16.411 8.413 -3.879 359 1HB LYS 46 1HB LYS 46 -15.575 7.633 -1.714 360 2HB LYS 46 2HB LYS 46 -14.027 7.229 -2.426 361 1HG LYS 46 1HG LYS 46 -13.352 9.349 -1.985 362 2HG LYS 46 2HG LYS 46 -14.463 9.901 -3.222 363 1HD LYS 46 1HD LYS 46 -15.729 10.923 -1.647 364 2HD LYS 46 2HD LYS 46 -16.031 9.380 -0.873 365 1HE LYS 46 1HE LYS 46 -13.674 9.679 0.222 366 2HE LYS 46 2HE LYS 46 -13.783 11.349 -0.297 367 1HZ LYS 46 1HZ LYS 46 -14.706 10.610 1.984 368 2HZ LYS 46 2HZ LYS 46 -15.494 11.746 1.116 369 3HZ LYS 46 3HZ LYS 46 -16.039 10.207 1.130 370 H ALA 47 H ALA 47 -13.238 6.731 -4.462 371 HA ALA 47 HA ALA 47 -13.107 7.842 -7.100 372 1HB ALA 47 1HB ALA 47 -12.264 9.821 -6.299 373 2HB ALA 47 2HB ALA 47 -11.679 9.086 -4.787 374 3HB ALA 47 3HB ALA 47 -10.754 8.878 -6.293 375 H PHE 48 H PHE 48 -11.263 6.950 -8.305 376 HA PHE 48 HA PHE 48 -10.309 4.497 -7.014 377 1HB PHE 48 1HB PHE 48 -11.724 4.291 -9.084 378 2HB PHE 48 2HB PHE 48 -10.669 5.402 -9.934 379 HD1 PHE 48 HD1 PHE 48 -10.397 2.189 -8.038 380 HD2 PHE 48 HD2 PHE 48 -9.136 4.480 -11.380 381 HE1 PHE 48 HE1 PHE 48 -9.008 0.258 -8.838 382 HE2 PHE 48 HE2 PHE 48 -7.747 2.549 -12.180 383 HZ PHE 48 HZ PHE 48 -7.699 0.461 -10.899 384 H HIS 49 H HIS 49 -8.201 4.460 -6.409 385 HA HIS 49 HA HIS 49 -6.396 6.241 -7.878 386 1HB HIS 49 1HB HIS 49 -6.878 5.863 -5.036 387 2HB HIS 49 2HB HIS 49 -5.196 5.570 -5.432 388 HD1 HIS 49 HD1 HIS 49 -7.198 8.217 -4.301 389 HD2 HIS 49 HD2 HIS 49 -4.339 7.909 -7.355 390 HE1 HIS 49 HE1 HIS 49 -6.407 10.595 -4.783 391 HE2 HIS 49 HE2 HIS 49 -4.612 10.336 -6.628 392 H TRP 50 H TRP 50 -4.293 5.431 -8.436 393 HA TRP 50 HA TRP 50 -3.833 2.603 -7.933 394 1HB TRP 50 1HB TRP 50 -3.739 1.917 -10.129 395 2HB TRP 50 2HB TRP 50 -5.177 2.917 -10.089 396 HD1 TRP 50 HD1 TRP 50 -4.790 5.538 -11.130 397 HE1 TRP 50 HE1 TRP 50 -3.339 6.399 -13.159 398 HE3 TRP 50 HE3 TRP 50 -1.720 1.489 -11.334 399 HZ2 TRP 50 HZ2 TRP 50 -1.120 5.314 -14.590 400 HZ3 TRP 50 HZ3 TRP 50 0.062 1.469 -13.076 401 HH2 TRP 50 HH2 TRP 50 0.388 3.294 -14.669 402 H GLY 51 H GLY 51 -1.552 2.061 -8.193 403 1HA GLY 51 1HA GLY 51 0.275 4.220 -8.882 404 2HA GLY 51 2HA GLY 51 0.291 3.706 -7.207 405 H LYS 52 H LYS 52 1.922 3.306 -10.022 406 HA LYS 52 HA LYS 52 2.479 0.473 -9.476 407 1HB LYS 52 1HB LYS 52 2.980 0.156 -11.770 408 2HB LYS 52 2HB LYS 52 1.450 1.007 -11.709 409 1HG LYS 52 1HG LYS 52 2.660 3.179 -12.080 410 2HG LYS 52 2HG LYS 52 4.176 2.306 -12.178 411 1HD LYS 52 1HD LYS 52 1.841 1.598 -13.995 412 2HD LYS 52 2HD LYS 52 2.944 2.897 -14.407 413 1HE LYS 52 1HE LYS 52 3.892 0.071 -13.745 414 2HE LYS 52 2HE LYS 52 3.525 0.592 -15.378 415 1HZ LYS 52 1HZ LYS 52 5.763 0.993 -15.133 416 2HZ LYS 52 2HZ LYS 52 5.126 2.473 -14.868 417 3HZ LYS 52 3HZ LYS 52 5.634 1.565 -13.609 418 H ASP 53 H ASP 53 4.745 -0.198 -9.634 419 HA ASP 53 HA ASP 53 6.420 1.123 -8.110 420 1HB ASP 53 1HB ASP 53 8.313 0.056 -9.478 421 2HB ASP 53 2HB ASP 53 7.065 -1.034 -8.907 422 H VAL 54 H VAL 54 7.121 3.264 -8.191 423 HA VAL 54 HA VAL 54 7.389 4.513 -10.811 424 HB VAL 54 HB VAL 54 7.355 5.627 -8.000 425 1HG1 VAL 54 1HG1 VAL 54 7.033 7.835 -9.267 426 2HG1 VAL 54 2HG1 VAL 54 8.672 7.142 -9.239 427 3HG1 VAL 54 3HG1 VAL 54 7.659 6.972 -10.692 428 1HG2 VAL 54 1HG2 VAL 54 5.271 5.168 -10.084 429 2HG2 VAL 54 2HG2 VAL 54 5.152 5.121 -8.309 430 3HG2 VAL 54 3HG2 VAL 54 5.182 6.685 -9.158 431 H SER 55 H SER 55 9.343 4.598 -11.779 432 HA SER 55 HA SER 55 11.497 4.223 -12.032 433 1HB SER 55 1HB SER 55 11.091 6.595 -10.336 434 2HB SER 55 2HB SER 55 12.703 5.933 -10.158 435 HG SER 55 HG SER 55 11.452 6.560 -12.697 436 H ILE 56 H ILE 56 11.194 1.972 -11.035 437 HA ILE 56 HA ILE 56 12.494 1.784 -8.418 438 HB ILE 56 HB ILE 56 10.162 0.748 -9.135 439 1HG1 ILE 56 1HG1 ILE 56 10.957 0.618 -6.901 440 2HG1 ILE 56 2HG1 ILE 56 10.543 -1.013 -7.390 441 1HG2 ILE 56 1HG2 ILE 56 10.985 -0.543 -11.013 442 2HG2 ILE 56 2HG2 ILE 56 12.155 -1.379 -9.964 443 3HG2 ILE 56 3HG2 ILE 56 10.409 -1.634 -9.729 444 1HD1 ILE 56 1HD1 ILE 56 12.683 -1.111 -6.253 445 2HD1 ILE 56 2HD1 ILE 56 12.989 -1.385 -7.985 446 3HD1 ILE 56 3HD1 ILE 56 13.336 0.203 -7.260 447 H GLU 57 H GLU 57 13.163 1.698 -11.732 448 HA GLU 57 HA GLU 57 14.929 1.119 -12.858 449 1HB GLU 57 1HB GLU 57 16.068 1.741 -10.550 450 2HB GLU 57 2HB GLU 57 16.353 0.016 -10.427 451 1HG GLU 57 1HG GLU 57 18.151 0.242 -11.785 452 2HG GLU 57 2HG GLU 57 17.082 0.716 -13.090 453 H ASN 58 H ASN 58 14.866 -1.388 -10.214 454 HA ASN 58 HA ASN 58 13.626 -3.312 -11.714 455 1HB ASN 58 1HB ASN 58 16.071 -2.967 -12.860 456 2HB ASN 58 2HB ASN 58 16.545 -4.072 -11.585 457 1HD2 ASN 58 1HD2 ASN 58 14.822 -3.635 -14.537 458 2HD2 ASN 58 2HD2 ASN 58 14.387 -5.284 -14.840 459 H LEU 59 H LEU 59 12.743 -3.568 -9.535 460 HA LEU 59 HA LEU 59 14.131 -5.443 -7.943 461 1HB LEU 59 1HB LEU 59 14.584 -2.650 -7.364 462 2HB LEU 59 2HB LEU 59 13.760 -3.426 -6.027 463 HG LEU 59 HG LEU 59 16.143 -4.806 -7.195 464 1HD1 LEU 59 1HD1 LEU 59 16.435 -2.168 -6.671 465 2HD1 LEU 59 2HD1 LEU 59 16.757 -2.852 -5.060 466 3HD1 LEU 59 3HD1 LEU 59 17.722 -3.378 -6.460 467 1HD2 LEU 59 1HD2 LEU 59 14.473 -5.373 -5.116 468 2HD2 LEU 59 2HD2 LEU 59 16.139 -5.976 -5.282 469 3HD2 LEU 59 3HD2 LEU 59 15.807 -4.542 -4.281 470 H HIS 60 H HIS 60 12.104 -6.477 -8.570 471 HA HIS 60 HA HIS 60 10.086 -5.939 -6.607 472 1HB HIS 60 1HB HIS 60 8.252 -5.723 -8.240 473 2HB HIS 60 2HB HIS 60 9.364 -4.369 -8.275 474 HD1 HIS 60 HD1 HIS 60 8.484 -7.498 -10.264 475 HD2 HIS 60 HD2 HIS 60 10.553 -3.880 -10.731 476 HE1 HIS 60 HE1 HIS 60 9.070 -7.325 -12.741 477 HE2 HIS 60 HE2 HIS 60 10.292 -5.056 -12.976 478 H GLN 61 H GLN 61 8.642 -7.757 -6.326 479 HA GLN 61 HA GLN 61 9.887 -10.172 -7.214 480 1HB GLN 61 1HB GLN 61 8.119 -9.335 -5.045 481 2HB GLN 61 2HB GLN 61 7.504 -10.790 -5.804 482 1HG GLN 61 1HG GLN 61 9.039 -11.433 -4.015 483 2HG GLN 61 2HG GLN 61 9.763 -11.861 -5.552 484 1HE2 GLN 61 1HE2 GLN 61 9.707 -9.494 -2.951 485 2HE2 GLN 61 2HE2 GLN 61 11.302 -8.856 -3.175 486 H GLY 62 H GLY 62 7.673 -8.045 -8.562 487 1HA GLY 62 1HA GLY 62 6.821 -8.596 -10.730 488 2HA GLY 62 2HA GLY 62 6.457 -10.212 -10.158 489 H TYR 63 H TYR 63 5.885 -7.223 -8.253 490 HA TYR 63 HA TYR 63 3.162 -7.968 -7.852 491 1HB TYR 63 1HB TYR 63 5.067 -5.661 -7.200 492 2HB TYR 63 2HB TYR 63 3.365 -5.488 -6.819 493 HD1 TYR 63 HD1 TYR 63 2.330 -6.809 -5.036 494 HD2 TYR 63 HD2 TYR 63 6.481 -7.247 -5.976 495 HE1 TYR 63 HE1 TYR 63 2.704 -8.039 -2.843 496 HE2 TYR 63 HE2 TYR 63 6.841 -8.476 -3.779 497 HH TYR 63 HH TYR 63 5.412 -9.845 -2.230 498 H THR 64 H THR 64 4.931 -5.864 -10.086 499 HA THR 64 HA THR 64 4.240 -4.735 -11.879 500 HB THR 64 HB THR 64 1.432 -5.808 -11.313 501 HG1 THR 64 HG1 THR 64 3.118 -7.487 -11.290 502 1HG2 THR 64 1HG2 THR 64 2.558 -4.259 -13.450 503 2HG2 THR 64 2HG2 THR 64 2.380 -5.922 -14.059 504 3HG2 THR 64 3HG2 THR 64 0.966 -5.053 -13.417 505 H HIS 65 H HIS 65 1.631 -4.536 -9.362 506 HA HIS 65 HA HIS 65 2.240 -1.987 -8.580 507 1HB HIS 65 1HB HIS 65 0.392 -0.700 -9.732 508 2HB HIS 65 2HB HIS 65 1.809 -1.065 -10.696 509 HD1 HIS 65 HD1 HIS 65 1.502 -2.532 -12.779 510 HD2 HIS 65 HD2 HIS 65 -1.962 -2.215 -10.435 511 HE1 HIS 65 HE1 HIS 65 -0.392 -3.534 -14.164 512 HE2 HIS 65 HE2 HIS 65 -2.483 -3.361 -12.650 513 H ILE 66 H ILE 66 0.292 -0.956 -7.361 514 HA ILE 66 HA ILE 66 -1.531 -3.101 -6.530 515 HB ILE 66 HB ILE 66 -1.301 -2.433 -4.243 516 1HG1 ILE 66 1HG1 ILE 66 0.879 -0.761 -4.020 517 2HG1 ILE 66 2HG1 ILE 66 0.044 -0.088 -5.406 518 1HG2 ILE 66 1HG2 ILE 66 0.279 -4.003 -4.277 519 2HG2 ILE 66 2HG2 ILE 66 0.933 -3.430 -5.830 520 3HG2 ILE 66 3HG2 ILE 66 1.460 -2.671 -4.308 521 1HD1 ILE 66 1HD1 ILE 66 -0.720 -0.039 -2.575 522 2HD1 ILE 66 2HD1 ILE 66 -1.335 0.942 -3.927 523 3HD1 ILE 66 3HD1 ILE 66 -2.035 -0.662 -3.600 524 H PHE 67 H PHE 67 -3.658 -2.438 -5.956 525 HA PHE 67 HA PHE 67 -4.240 0.324 -6.770 526 1HB PHE 67 1HB PHE 67 -5.812 -2.313 -6.995 527 2HB PHE 67 2HB PHE 67 -6.498 -0.755 -7.412 528 HD1 PHE 67 HD1 PHE 67 -4.181 0.490 -8.816 529 HD2 PHE 67 HD2 PHE 67 -5.768 -3.439 -9.038 530 HE1 PHE 67 HE1 PHE 67 -3.286 0.260 -11.150 531 HE2 PHE 67 HE2 PHE 67 -4.873 -3.669 -11.372 532 HZ PHE 67 HZ PHE 67 -3.643 -1.817 -12.400 533 H GLU 68 H GLU 68 -5.353 1.599 -5.335 534 HA GLU 68 HA GLU 68 -6.305 0.220 -2.948 535 1HB GLU 68 1HB GLU 68 -4.393 1.833 -2.636 536 2HB GLU 68 2HB GLU 68 -5.420 3.127 -3.222 537 1HG GLU 68 1HG GLU 68 -6.504 1.430 -0.986 538 2HG GLU 68 2HG GLU 68 -5.197 2.528 -0.589 539 H SER 69 H SER 69 -8.421 0.600 -2.210 540 HA SER 69 HA SER 69 -10.019 2.188 -4.057 541 1HB SER 69 1HB SER 69 -10.325 -0.470 -3.179 542 2HB SER 69 2HB SER 69 -11.521 0.417 -2.257 543 HG SER 69 HG SER 69 -11.447 -0.169 -4.990 544 H THR 70 H THR 70 -11.730 3.562 -3.142 545 HA THR 70 HA THR 70 -11.080 4.395 -0.399 546 HB THR 70 HB THR 70 -12.513 5.894 -2.654 547 HG1 THR 70 HG1 THR 70 -10.307 5.524 -3.215 548 1HG2 THR 70 1HG2 THR 70 -11.104 6.894 -0.125 549 2HG2 THR 70 2HG2 THR 70 -11.951 7.892 -1.332 550 3HG2 THR 70 3HG2 THR 70 -12.872 6.776 -0.295 551 H PHE 71 H PHE 71 -12.519 4.248 1.230 552 HA PHE 71 HA PHE 71 -15.253 3.510 0.459 553 1HB PHE 71 1HB PHE 71 -13.559 2.528 2.834 554 2HB PHE 71 2HB PHE 71 -15.175 1.971 2.447 555 HD1 PHE 71 HD1 PHE 71 -12.373 0.499 2.696 556 HD2 PHE 71 HD2 PHE 71 -14.820 1.707 -0.553 557 HE1 PHE 71 HE1 PHE 71 -11.402 -1.335 1.284 558 HE2 PHE 71 HE2 PHE 71 -13.850 -0.127 -1.966 559 HZ PHE 71 HZ PHE 71 -12.153 -1.626 -1.030 560 H GLU 72 H GLU 72 -16.730 3.697 2.572 561 HA GLU 72 HA GLU 72 -15.973 5.504 4.530 562 1HB GLU 72 1HB GLU 72 -17.459 7.449 3.783 563 2HB GLU 72 2HB GLU 72 -15.942 7.272 2.925 564 1HG GLU 72 1HG GLU 72 -17.632 5.665 1.413 565 2HG GLU 72 2HG GLU 72 -18.723 6.934 1.934 566 H SER 73 H SER 73 -17.048 3.334 5.225 567 HA SER 73 HA SER 73 -19.339 3.800 6.488 568 1HB SER 73 1HB SER 73 -19.878 3.197 3.633 569 2HB SER 73 2HB SER 73 -20.786 2.194 4.748 570 HG SER 73 HG SER 73 -21.978 4.104 4.303 571 H LYS 74 H LYS 74 -17.236 1.613 4.700 572 HA LYS 74 HA LYS 74 -16.406 -0.372 5.203 573 1HB LYS 74 1HB LYS 74 -16.105 0.398 7.469 574 2HB LYS 74 2HB LYS 74 -17.781 0.074 7.865 575 1HG LYS 74 1HG LYS 74 -17.099 -1.982 8.552 576 2HG LYS 74 2HG LYS 74 -16.907 -2.385 6.858 577 1HD LYS 74 1HD LYS 74 -14.538 -1.187 7.153 578 2HD LYS 74 2HD LYS 74 -14.801 -1.527 8.851 579 1HE LYS 74 1HE LYS 74 -14.973 -3.916 8.441 580 2HE LYS 74 2HE LYS 74 -15.064 -3.680 6.707 581 1HZ LYS 74 1HZ LYS 74 -12.740 -3.039 8.389 582 2HZ LYS 74 2HZ LYS 74 -12.868 -4.317 7.381 583 3HZ LYS 74 3HZ LYS 74 -12.824 -2.801 6.776 584 H GLU 75 H GLU 75 -19.766 -0.293 6.599 585 HA GLU 75 HA GLU 75 -20.301 -2.894 5.733 586 1HB GLU 75 1HB GLU 75 -22.139 -0.614 6.577 587 2HB GLU 75 2HB GLU 75 -22.708 -2.242 6.265 588 1HG GLU 75 1HG GLU 75 -21.097 -3.105 8.008 589 2HG GLU 75 2HG GLU 75 -20.619 -1.454 8.351 590 H ALA 76 H ALA 76 -20.544 0.304 4.224 591 HA ALA 76 HA ALA 76 -22.346 -0.459 2.176 592 1HB ALA 76 1HB ALA 76 -21.950 1.876 2.949 593 2HB ALA 76 2HB ALA 76 -20.303 1.797 2.278 594 3HB ALA 76 3HB ALA 76 -21.711 1.691 1.195 595 H VAL 77 H VAL 77 -18.780 -0.465 2.595 596 HA VAL 77 HA VAL 77 -18.003 -0.864 0.001 597 HB VAL 77 HB VAL 77 -16.919 -1.975 2.593 598 1HG1 VAL 77 1HG1 VAL 77 -15.680 -3.321 1.273 599 2HG1 VAL 77 2HG1 VAL 77 -16.039 -2.383 -0.197 600 3HG1 VAL 77 3HG1 VAL 77 -14.763 -1.837 0.918 601 1HG2 VAL 77 1HG2 VAL 77 -16.969 0.459 2.510 602 2HG2 VAL 77 2HG2 VAL 77 -15.291 -0.121 2.380 603 3HG2 VAL 77 3HG2 VAL 77 -16.151 0.447 0.929 604 H ALA 78 H ALA 78 -19.373 -3.197 2.367 605 HA ALA 78 HA ALA 78 -18.879 -5.528 0.972 606 1HB ALA 78 1HB ALA 78 -19.732 -5.358 3.298 607 2HB ALA 78 2HB ALA 78 -21.298 -4.789 2.670 608 3HB ALA 78 3HB ALA 78 -20.736 -6.437 2.298 609 H GLU 79 H GLU 79 -21.606 -3.167 0.700 610 HA GLU 79 HA GLU 79 -23.079 -4.622 -1.111 611 1HB GLU 79 1HB GLU 79 -23.136 -2.013 0.065 612 2HB GLU 79 2HB GLU 79 -23.307 -1.787 -1.664 613 1HG GLU 79 1HG GLU 79 -24.974 -3.977 -1.173 614 2HG GLU 79 2HG GLU 79 -25.191 -3.004 0.269 615 H TYR 80 H TYR 80 -20.371 -2.292 -1.586 616 HA TYR 80 HA TYR 80 -20.559 -2.179 -4.385 617 1HB TYR 80 1HB TYR 80 -19.234 -0.515 -3.277 618 2HB TYR 80 2HB TYR 80 -18.561 -1.675 -2.150 619 HD1 TYR 80 HD1 TYR 80 -16.326 -2.247 -2.398 620 HD2 TYR 80 HD2 TYR 80 -18.520 -0.961 -5.839 621 HE1 TYR 80 HE1 TYR 80 -14.211 -2.374 -3.803 622 HE2 TYR 80 HE2 TYR 80 -16.397 -1.092 -7.232 623 HH TYR 80 HH TYR 80 -13.493 -2.522 -5.960 624 H ILE 81 H ILE 81 -18.846 -4.384 -2.118 625 HA ILE 81 HA ILE 81 -17.402 -5.673 -4.209 626 HB ILE 81 HB ILE 81 -17.881 -6.263 -1.296 627 1HG1 ILE 81 1HG1 ILE 81 -15.378 -5.443 -2.799 628 2HG1 ILE 81 2HG1 ILE 81 -16.419 -4.341 -1.919 629 1HG2 ILE 81 1HG2 ILE 81 -17.691 -8.404 -2.451 630 2HG2 ILE 81 2HG2 ILE 81 -16.192 -7.860 -3.241 631 3HG2 ILE 81 3HG2 ILE 81 -16.240 -8.072 -1.475 632 1HD1 ILE 81 1HD1 ILE 81 -16.067 -5.934 0.121 633 2HD1 ILE 81 2HD1 ILE 81 -14.710 -6.596 -0.820 634 3HD1 ILE 81 3HD1 ILE 81 -14.717 -4.877 -0.357 635 H ALA 82 H ALA 82 -20.641 -5.836 -2.920 636 HA ALA 82 HA ALA 82 -21.027 -8.496 -4.064 637 1HB ALA 82 1HB ALA 82 -23.021 -8.577 -2.772 638 2HB ALA 82 2HB ALA 82 -21.814 -7.806 -1.715 639 3HB ALA 82 3HB ALA 82 -23.039 -6.812 -2.540 640 H HIS 83 H HIS 83 -20.389 -6.403 -5.896 641 HA HIS 83 HA HIS 83 -23.007 -5.819 -7.062 642 1HB HIS 83 1HB HIS 83 -21.036 -4.072 -6.492 643 2HB HIS 83 2HB HIS 83 -20.535 -4.531 -8.107 644 HD1 HIS 83 HD1 HIS 83 -21.762 -3.468 -10.050 645 HD2 HIS 83 HD2 HIS 83 -23.748 -2.940 -6.394 646 HE1 HIS 83 HE1 HIS 83 -23.682 -1.850 -10.507 647 HE2 HIS 83 HE2 HIS 83 -24.898 -1.608 -8.236 648 HA PRO 84 HA PRO 84 -22.087 -8.661 -10.197 649 1HB PRO 84 1HB PRO 84 -23.933 -7.924 -12.072 650 2HB PRO 84 2HB PRO 84 -24.319 -8.934 -10.694 651 1HG PRO 84 1HG PRO 84 -24.958 -6.083 -11.138 652 2HG PRO 84 2HG PRO 84 -25.678 -7.205 -10.001 653 1HD PRO 84 1HD PRO 84 -23.771 -5.147 -9.406 654 2HD PRO 84 2HD PRO 84 -24.404 -6.343 -8.293 655 H ALA 85 H ALA 85 -22.346 -5.299 -11.165 656 HA ALA 85 HA ALA 85 -21.053 -5.544 -13.599 657 1HB ALA 85 1HB ALA 85 -20.730 -3.173 -11.744 658 2HB ALA 85 2HB ALA 85 -20.893 -3.192 -13.517 659 3HB ALA 85 3HB ALA 85 -22.300 -3.556 -12.490 660 H HIS 86 H HIS 86 -19.758 -5.148 -10.256 661 HA HIS 86 HA HIS 86 -17.077 -4.957 -11.162 662 1HB HIS 86 1HB HIS 86 -17.569 -3.902 -9.119 663 2HB HIS 86 2HB HIS 86 -18.405 -5.304 -8.481 664 HD1 HIS 86 HD1 HIS 86 -14.960 -3.877 -8.991 665 HD2 HIS 86 HD2 HIS 86 -16.741 -7.307 -7.360 666 HE1 HIS 86 HE1 HIS 86 -13.133 -5.070 -7.668 667 HE2 HIS 86 HE2 HIS 86 -14.301 -7.140 -6.644 668 H VAL 87 H VAL 87 -19.285 -7.572 -10.138 669 HA VAL 87 HA VAL 87 -17.277 -9.535 -9.857 670 HB VAL 87 HB VAL 87 -20.249 -9.434 -10.056 671 1HG1 VAL 87 1HG1 VAL 87 -20.410 -11.892 -10.038 672 2HG1 VAL 87 2HG1 VAL 87 -19.693 -11.291 -11.552 673 3HG1 VAL 87 3HG1 VAL 87 -18.653 -12.007 -10.298 674 1HG2 VAL 87 1HG2 VAL 87 -20.207 -10.193 -7.872 675 2HG2 VAL 87 2HG2 VAL 87 -18.648 -11.028 -8.076 676 3HG2 VAL 87 3HG2 VAL 87 -18.696 -9.254 -7.943 677 H GLU 88 H GLU 88 -19.473 -8.550 -12.558 678 HA GLU 88 HA GLU 88 -18.775 -10.527 -14.305 679 1HB GLU 88 1HB GLU 88 -20.484 -8.450 -14.401 680 2HB GLU 88 2HB GLU 88 -19.204 -7.744 -15.366 681 1HG GLU 88 1HG GLU 88 -20.495 -8.844 -16.998 682 2HG GLU 88 2HG GLU 88 -19.231 -10.017 -16.683 683 H PHE 89 H PHE 89 -17.106 -7.451 -13.507 684 HA PHE 89 HA PHE 89 -15.202 -7.724 -15.606 685 1HB PHE 89 1HB PHE 89 -16.059 -5.865 -13.541 686 2HB PHE 89 2HB PHE 89 -14.339 -6.116 -13.322 687 HD1 PHE 89 HD1 PHE 89 -13.135 -4.376 -14.218 688 HD2 PHE 89 HD2 PHE 89 -16.528 -5.789 -16.338 689 HE1 PHE 89 HE1 PHE 89 -12.661 -2.743 -16.064 690 HE2 PHE 89 HE2 PHE 89 -16.054 -4.156 -18.185 691 HZ PHE 89 HZ PHE 89 -14.127 -2.653 -18.025 692 H ALA 90 H ALA 90 -15.236 -8.332 -12.037 693 HA ALA 90 HA ALA 90 -12.534 -9.073 -11.881 694 1HB ALA 90 1HB ALA 90 -14.019 -8.376 -9.984 695 2HB ALA 90 2HB ALA 90 -14.868 -9.933 -10.126 696 3HB ALA 90 3HB ALA 90 -13.147 -9.896 -9.676 697 H THR 91 H THR 91 -15.539 -10.814 -12.731 698 HA THR 91 HA THR 91 -14.478 -13.414 -12.523 699 HB THR 91 HB THR 91 -16.776 -12.178 -14.125 700 HG1 THR 91 HG1 THR 91 -17.893 -12.947 -12.233 701 1HG2 THR 91 1HG2 THR 91 -16.217 -15.108 -13.420 702 2HG2 THR 91 2HG2 THR 91 -17.693 -14.487 -14.198 703 3HG2 THR 91 3HG2 THR 91 -16.138 -14.427 -15.063 704 H ILE 92 H ILE 92 -14.602 -11.046 -15.236 705 HA ILE 92 HA ILE 92 -13.387 -12.902 -17.033 706 HB ILE 92 HB ILE 92 -14.151 -10.004 -17.117 707 1HG1 ILE 92 1HG1 ILE 92 -14.957 -12.210 -19.007 708 2HG1 ILE 92 2HG1 ILE 92 -15.748 -12.021 -17.455 709 1HG2 ILE 92 1HG2 ILE 92 -12.668 -11.454 -19.324 710 2HG2 ILE 92 2HG2 ILE 92 -13.285 -9.785 -19.355 711 3HG2 ILE 92 3HG2 ILE 92 -11.957 -10.223 -18.253 712 1HD1 ILE 92 1HD1 ILE 92 -15.883 -9.447 -18.247 713 2HD1 ILE 92 2HD1 ILE 92 -15.802 -10.213 -19.852 714 3HD1 ILE 92 3HD1 ILE 92 -17.111 -10.644 -18.725 715 H PHE 93 H PHE 93 -12.318 -10.438 -14.711 716 HA PHE 93 HA PHE 93 -9.742 -10.076 -15.734 717 1HB PHE 93 1HB PHE 93 -11.022 -8.715 -13.975 718 2HB PHE 93 2HB PHE 93 -10.822 -10.044 -12.851 719 HD1 PHE 93 HD1 PHE 93 -9.503 -9.090 -11.172 720 HD2 PHE 93 HD2 PHE 93 -8.298 -8.696 -15.222 721 HE1 PHE 93 HE1 PHE 93 -7.308 -8.128 -10.425 722 HE2 PHE 93 HE2 PHE 93 -6.103 -7.734 -14.475 723 HZ PHE 93 HZ PHE 93 -5.635 -7.462 -12.086 724 H LEU 94 H LEU 94 -11.100 -12.391 -13.308 725 HA LEU 94 HA LEU 94 -8.638 -13.502 -12.584 726 1HB LEU 94 1HB LEU 94 -9.858 -14.764 -11.214 727 2HB LEU 94 2HB LEU 94 -11.144 -13.658 -11.655 728 HG LEU 94 HG LEU 94 -11.495 -15.481 -13.601 729 1HD1 LEU 94 1HD1 LEU 94 -9.716 -16.957 -13.007 730 2HD1 LEU 94 2HD1 LEU 94 -10.244 -17.011 -11.308 731 3HD1 LEU 94 3HD1 LEU 94 -11.248 -17.755 -12.577 732 1HD2 LEU 94 1HD2 LEU 94 -12.622 -16.146 -10.903 733 2HD2 LEU 94 2HD2 LEU 94 -13.011 -14.585 -11.665 734 3HD2 LEU 94 3HD2 LEU 94 -13.416 -16.107 -12.496 735 H GLY 95 H GLY 95 -10.769 -13.948 -15.377 736 1HA GLY 95 1HA GLY 95 -9.868 -16.456 -16.241 737 2HA GLY 95 2HA GLY 95 -10.569 -15.195 -17.235 738 H SER 96 H SER 96 -8.315 -13.293 -16.186 739 HA SER 96 HA SER 96 -6.057 -14.497 -17.521 740 1HB SER 96 1HB SER 96 -5.744 -12.345 -18.871 741 2HB SER 96 2HB SER 96 -7.040 -13.399 -19.400 742 HG SER 96 HG SER 96 -7.882 -11.303 -19.340 743 H LEU 97 H LEU 97 -6.019 -14.289 -14.879 744 HA LEU 97 HA LEU 97 -4.649 -11.748 -14.327 745 1HB LEU 97 1HB LEU 97 -5.813 -11.469 -12.468 746 2HB LEU 97 2HB LEU 97 -6.944 -12.618 -13.155 747 HG LEU 97 HG LEU 97 -6.492 -13.188 -10.857 748 1HD1 LEU 97 1HD1 LEU 97 -6.713 -15.324 -11.406 749 2HD1 LEU 97 2HD1 LEU 97 -6.133 -14.954 -13.048 750 3HD1 LEU 97 3HD1 LEU 97 -4.976 -15.432 -11.782 751 1HD2 LEU 97 1HD2 LEU 97 -3.749 -14.058 -11.006 752 2HD2 LEU 97 2HD2 LEU 97 -3.871 -12.331 -11.422 753 3HD2 LEU 97 3HD2 LEU 97 -4.522 -12.921 -9.874 754 H ASP 98 H ASP 98 -2.625 -11.836 -13.337 755 HA ASP 98 HA ASP 98 -1.388 -14.413 -13.536 756 1HB ASP 98 1HB ASP 98 -0.466 -12.006 -14.213 757 2HB ASP 98 2HB ASP 98 -0.013 -11.911 -12.523 758 H LYS 99 H LYS 99 -1.618 -11.702 -11.099 759 HA LYS 99 HA LYS 99 -1.644 -13.733 -8.992 760 1HB LYS 99 1HB LYS 99 0.091 -11.245 -9.006 761 2HB LYS 99 2HB LYS 99 -0.130 -12.316 -7.637 762 1HG LYS 99 1HG LYS 99 1.069 -14.075 -8.632 763 2HG LYS 99 2HG LYS 99 0.717 -13.539 -10.263 764 1HD LYS 99 1HD LYS 99 3.097 -13.132 -9.691 765 2HD LYS 99 2HD LYS 99 2.264 -11.624 -10.012 766 1HE LYS 99 1HE LYS 99 3.055 -10.911 -7.999 767 2HE LYS 99 2HE LYS 99 1.855 -11.958 -7.268 768 1HZ LYS 99 1HZ LYS 99 4.489 -12.966 -8.056 769 2HZ LYS 99 2HZ LYS 99 4.226 -12.298 -6.590 770 3HZ LYS 99 3HZ LYS 99 3.416 -13.646 -7.030 771 H VAL 100 H VAL 100 -2.812 -13.106 -7.081 772 HA VAL 100 HA VAL 100 -4.177 -10.553 -7.180 773 HB VAL 100 HB VAL 100 -5.738 -11.706 -8.450 774 1HG1 VAL 100 1HG1 VAL 100 -6.328 -14.100 -6.981 775 2HG1 VAL 100 2HG1 VAL 100 -5.731 -13.926 -8.649 776 3HG1 VAL 100 3HG1 VAL 100 -4.577 -14.033 -7.297 777 1HG2 VAL 100 1HG2 VAL 100 -7.192 -12.568 -6.093 778 2HG2 VAL 100 2HG2 VAL 100 -6.381 -11.010 -5.805 779 3HG2 VAL 100 3HG2 VAL 100 -7.500 -11.191 -7.178 780 H LEU 101 H LEU 101 -3.910 -9.719 -5.182 781 HA LEU 101 HA LEU 101 -4.142 -11.577 -2.930 782 1HB LEU 101 1HB LEU 101 -1.977 -9.506 -3.322 783 2HB LEU 101 2HB LEU 101 -2.290 -10.349 -1.818 784 HG LEU 101 HG LEU 101 -2.011 -12.422 -3.640 785 1HD1 LEU 101 1HD1 LEU 101 -1.187 -11.227 -5.454 786 2HD1 LEU 101 2HD1 LEU 101 -0.240 -10.121 -4.429 787 3HD1 LEU 101 3HD1 LEU 101 0.290 -11.806 -4.646 788 1HD2 LEU 101 1HD2 LEU 101 -0.320 -11.183 -1.518 789 2HD2 LEU 101 2HD2 LEU 101 -1.040 -12.807 -1.614 790 3HD2 LEU 101 3HD2 LEU 101 0.415 -12.422 -2.563 791 H VAL 102 H VAL 102 -5.659 -10.915 -1.505 792 HA VAL 102 HA VAL 102 -6.504 -8.114 -1.717 793 HB VAL 102 HB VAL 102 -8.518 -9.197 -0.413 794 1HG1 VAL 102 1HG1 VAL 102 -8.736 -8.117 -2.569 795 2HG1 VAL 102 2HG1 VAL 102 -8.024 -9.526 -3.391 796 3HG1 VAL 102 3HG1 VAL 102 -9.614 -9.665 -2.602 797 1HG2 VAL 102 1HG2 VAL 102 -7.681 -11.600 -2.037 798 2HG2 VAL 102 2HG2 VAL 102 -7.206 -11.424 -0.331 799 3HG2 VAL 102 3HG2 VAL 102 -8.929 -11.476 -0.774 800 H ILE 103 H ILE 103 -5.851 -6.777 -0.121 801 HA ILE 103 HA ILE 103 -5.693 -7.869 2.574 802 HB ILE 103 HB ILE 103 -3.418 -6.513 1.130 803 1HG1 ILE 103 1HG1 ILE 103 -3.706 -8.986 0.842 804 2HG1 ILE 103 2HG1 ILE 103 -2.180 -8.498 1.552 805 1HG2 ILE 103 1HG2 ILE 103 -3.251 -5.433 3.143 806 2HG2 ILE 103 2HG2 ILE 103 -4.011 -6.761 4.052 807 3HG2 ILE 103 3HG2 ILE 103 -2.328 -6.914 3.495 808 1HD1 ILE 103 1HD1 ILE 103 -4.119 -10.297 2.636 809 2HD1 ILE 103 2HD1 ILE 103 -2.595 -9.761 3.382 810 3HD1 ILE 103 3HD1 ILE 103 -4.099 -8.860 3.687 811 H ASP 104 H ASP 104 -5.911 -6.234 4.232 812 HA ASP 104 HA ASP 104 -7.051 -3.796 3.115 813 1HB ASP 104 1HB ASP 104 -7.758 -5.562 5.433 814 2HB ASP 104 2HB ASP 104 -7.952 -3.841 5.701 815 H TYR 105 H TYR 105 -6.532 -1.763 4.277 816 HA TYR 105 HA TYR 105 -4.383 -1.985 6.252 817 1HB TYR 105 1HB TYR 105 -3.442 -1.619 3.928 818 2HB TYR 105 2HB TYR 105 -4.538 -0.272 3.693 819 HD1 TYR 105 HD1 TYR 105 -4.283 1.769 5.259 820 HD2 TYR 105 HD2 TYR 105 -1.304 -1.275 4.855 821 HE1 TYR 105 HE1 TYR 105 -2.527 3.353 6.195 822 HE2 TYR 105 HE2 TYR 105 0.441 0.319 5.792 823 HH TYR 105 HH TYR 105 0.262 2.424 7.425 824 H LYS 106 H LYS 106 -4.441 -0.416 7.861 825 HA LYS 106 HA LYS 106 -6.495 1.654 7.523 826 1HB LYS 106 1HB LYS 106 -6.997 -0.443 9.060 827 2HB LYS 106 2HB LYS 106 -5.997 0.421 10.211 828 1HG LYS 106 1HG LYS 106 -7.482 2.249 10.346 829 2HG LYS 106 2HG LYS 106 -8.175 1.941 8.766 830 1HD LYS 106 1HD LYS 106 -9.221 -0.174 9.687 831 2HD LYS 106 2HD LYS 106 -8.603 0.246 11.272 832 1HE LYS 106 1HE LYS 106 -9.910 2.595 10.376 833 2HE LYS 106 2HE LYS 106 -10.961 1.288 9.868 834 1HZ LYS 106 1HZ LYS 106 -11.042 2.268 12.270 835 2HZ LYS 106 2HZ LYS 106 -11.352 0.689 11.990 836 3HZ LYS 106 3HZ LYS 106 -9.888 1.147 12.550 837 HA PRO 107 HA PRO 107 -3.253 4.277 8.657 838 1HB PRO 107 1HB PRO 107 -4.657 6.558 9.203 839 2HB PRO 107 2HB PRO 107 -4.234 6.059 7.577 840 1HG PRO 107 1HG PRO 107 -6.857 5.925 8.934 841 2HG PRO 107 2HG PRO 107 -6.502 5.839 7.220 842 1HD PRO 107 1HD PRO 107 -7.169 3.647 8.946 843 2HD PRO 107 2HD PRO 107 -6.701 3.549 7.260 844 H THR 108 H THR 108 -2.455 3.113 10.444 845 HA THR 108 HA THR 108 -3.550 4.140 12.976 846 HB THR 108 HB THR 108 -2.273 1.519 12.102 847 HG1 THR 108 HG1 THR 108 -4.278 0.898 13.340 848 1HG2 THR 108 1HG2 THR 108 -1.343 2.558 14.392 849 2HG2 THR 108 2HG2 THR 108 -2.956 2.104 14.993 850 3HG2 THR 108 3HG2 THR 108 -1.871 0.860 14.328 851 H SER 109 H SER 109 -2.440 5.803 13.783 852 HA SER 109 HA SER 109 0.419 5.814 13.251 853 1HB SER 109 1HB SER 109 0.211 8.259 14.023 854 2HB SER 109 2HB SER 109 -0.540 7.853 12.493 855 HG SER 109 HG SER 109 -2.598 7.733 13.555 856 H VAL 110 H VAL 110 1.903 6.368 15.047 857 HA VAL 110 HA VAL 110 0.783 5.499 17.614 858 HB VAL 110 HB VAL 110 3.558 5.394 16.429 859 1HG1 VAL 110 1HG1 VAL 110 3.996 5.941 18.675 860 2HG1 VAL 110 2HG1 VAL 110 2.643 4.952 19.275 861 3HG1 VAL 110 3HG1 VAL 110 4.100 4.164 18.623 862 1HG2 VAL 110 1HG2 VAL 110 2.655 3.474 15.641 863 2HG2 VAL 110 2HG2 VAL 110 2.977 2.883 17.290 864 3HG2 VAL 110 3HG2 VAL 110 1.351 3.462 16.853 865 H SER 111 H SER 111 1.116 6.735 19.495 866 HA SER 111 HA SER 111 1.352 9.490 19.012 867 1HB SER 111 1HB SER 111 1.652 9.008 21.800 868 2HB SER 111 2HB SER 111 0.197 9.488 20.949 869 HG SER 111 HG SER 111 0.852 7.042 22.062 870 H LEU 112 H LEU 112 3.184 10.750 18.963 871 HA LEU 112 HA LEU 112 5.547 9.717 20.354 872 1HB LEU 112 1HB LEU 112 6.939 10.450 18.470 873 2HB LEU 112 2HB LEU 112 5.877 9.112 18.080 874 HG LEU 112 HG LEU 112 4.325 11.171 17.251 875 1HD1 LEU 112 1HD1 LEU 112 5.739 12.986 17.667 876 2HD1 LEU 112 2HD1 LEU 112 7.180 12.124 17.078 877 3HD1 LEU 112 3HD1 LEU 112 5.936 12.668 15.927 878 1HD2 LEU 112 1HD2 LEU 112 5.844 10.689 15.001 879 2HD2 LEU 112 2HD2 LEU 112 6.142 9.247 16.002 880 3HD2 LEU 112 3HD2 LEU 112 4.476 9.705 15.575 881 1H GLY 1 1H GLY 1 17.647 33.088 -5.803 882 1HA GLY 1 1HA GLY 1 16.571 30.525 -6.733 883 2HA GLY 1 2HA GLY 1 16.527 30.861 -5.014 884 H SER 2 H SER 2 15.573 32.211 -8.231 885 HA SER 2 HA SER 2 13.740 34.001 -6.973 886 1HB SER 2 1HB SER 2 15.112 34.189 -9.272 887 2HB SER 2 2HB SER 2 13.681 33.421 -9.929 888 HG SER 2 HG SER 2 13.409 35.689 -10.029 889 H HIS 3 H HIS 3 13.669 30.939 -8.877 890 HA HIS 3 HA HIS 3 10.925 30.784 -9.205 891 1HB HIS 3 1HB HIS 3 13.024 28.613 -8.971 892 2HB HIS 3 2HB HIS 3 11.365 28.318 -9.451 893 HD1 HIS 3 HD1 HIS 3 11.611 27.739 -11.891 894 HD2 HIS 3 HD2 HIS 3 13.661 31.250 -10.857 895 HE1 HIS 3 HE1 HIS 3 12.469 28.737 -14.077 896 H MET 4 H MET 4 9.626 28.825 -8.120 897 HA MET 4 HA MET 4 9.986 29.205 -5.249 898 1HB MET 4 1HB MET 4 7.756 29.698 -6.941 899 2HB MET 4 2HB MET 4 7.351 28.196 -6.134 900 1HG MET 4 1HG MET 4 6.565 29.661 -4.519 901 2HG MET 4 2HG MET 4 8.224 29.547 -3.964 902 1HE MET 4 1HE MET 4 7.535 31.942 -2.730 903 2HE MET 4 2HE MET 4 6.990 33.356 -3.665 904 3HE MET 4 3HE MET 4 5.974 31.896 -3.585 905 H GLU 5 H GLU 5 10.228 27.407 -3.942 906 HA GLU 5 HA GLU 5 11.080 25.074 -4.894 907 1HB GLU 5 1HB GLU 5 9.952 24.162 -2.616 908 2HB GLU 5 2HB GLU 5 11.382 25.174 -2.620 909 1HG GLU 5 1HG GLU 5 8.806 26.673 -2.714 910 2HG GLU 5 2HG GLU 5 9.058 25.753 -1.244 911 H GLU 6 H GLU 6 10.086 23.975 -6.568 912 HA GLU 6 HA GLU 6 7.262 23.718 -6.611 913 1HB GLU 6 1HB GLU 6 9.539 23.131 -8.395 914 2HB GLU 6 2HB GLU 6 8.282 21.914 -8.488 915 1HG GLU 6 1HG GLU 6 6.906 24.403 -8.436 916 2HG GLU 6 2HG GLU 6 8.270 24.656 -9.506 917 H ALA 7 H ALA 7 6.123 22.262 -5.414 918 HA ALA 7 HA ALA 7 7.550 19.935 -4.395 919 1HB ALA 7 1HB ALA 7 4.808 21.086 -3.735 920 2HB ALA 7 2HB ALA 7 5.619 19.755 -2.876 921 3HB ALA 7 3HB ALA 7 6.308 21.396 -2.829 922 H LYS 8 H LYS 8 7.082 17.837 -5.002 923 HA LYS 8 HA LYS 8 5.040 17.587 -7.098 924 1HB LYS 8 1HB LYS 8 7.798 16.536 -6.814 925 2HB LYS 8 2HB LYS 8 6.615 15.393 -7.418 926 1HG LYS 8 1HG LYS 8 6.017 16.831 -9.267 927 2HG LYS 8 2HG LYS 8 6.851 18.205 -8.567 928 1HD LYS 8 1HD LYS 8 9.009 17.298 -9.037 929 2HD LYS 8 2HD LYS 8 8.385 15.673 -9.243 930 1HE LYS 8 1HE LYS 8 7.246 17.713 -11.109 931 2HE LYS 8 2HE LYS 8 8.952 17.377 -11.326 932 1HZ LYS 8 1HZ LYS 8 7.258 15.075 -10.984 933 2HZ LYS 8 2HZ LYS 8 7.051 15.904 -12.376 934 3HZ LYS 8 3HZ LYS 8 8.520 15.300 -11.997 935 H GLY 9 H GLY 9 4.566 17.584 -4.175 936 1HA GLY 9 1HA GLY 9 3.967 14.745 -3.682 937 2HA GLY 9 2HA GLY 9 4.039 16.024 -2.487 938 HA PRO 10 HA PRO 10 2.852 14.848 -1.400 939 1HB PRO 10 1HB PRO 10 0.932 13.139 -0.471 940 2HB PRO 10 2HB PRO 10 1.115 14.782 0.110 941 1HG PRO 10 1HG PRO 10 -0.931 13.678 -1.717 942 2HG PRO 10 2HG PRO 10 -0.968 15.172 -0.801 943 1HD PRO 10 1HD PRO 10 -0.454 14.893 -3.609 944 2HD PRO 10 2HD PRO 10 -0.378 16.372 -2.671 945 H VAL 11 H VAL 11 3.459 12.542 -0.726 946 HA VAL 11 HA VAL 11 3.287 10.860 -3.119 947 HB VAL 11 HB VAL 11 5.664 12.030 -1.825 948 1HG1 VAL 11 1HG1 VAL 11 5.579 9.093 -2.584 949 2HG1 VAL 11 2HG1 VAL 11 7.077 10.031 -2.373 950 3HG1 VAL 11 3HG1 VAL 11 5.975 9.791 -0.996 951 1HG2 VAL 11 1HG2 VAL 11 5.154 12.599 -4.101 952 2HG2 VAL 11 2HG2 VAL 11 6.611 11.577 -4.109 953 3HG2 VAL 11 3HG2 VAL 11 5.035 10.884 -4.563 954 H LYS 12 H LYS 12 3.079 8.645 -2.703 955 HA LYS 12 HA LYS 12 3.026 7.928 0.143 956 1HB LYS 12 1HB LYS 12 0.969 7.351 -1.994 957 2HB LYS 12 2HB LYS 12 1.094 6.382 -0.540 958 1HG LYS 12 1HG LYS 12 1.180 9.112 0.312 959 2HG LYS 12 2HG LYS 12 -0.103 9.012 -0.878 960 1HD LYS 12 1HD LYS 12 -0.942 6.926 0.404 961 2HD LYS 12 2HD LYS 12 0.185 7.366 1.672 962 1HE LYS 12 1HE LYS 12 -1.306 9.733 0.909 963 2HE LYS 12 2HE LYS 12 -2.443 8.431 1.194 964 1HZ LYS 12 1HZ LYS 12 -2.117 9.235 3.276 965 2HZ LYS 12 2HZ LYS 12 -0.978 8.065 3.271 966 3HZ LYS 12 3HZ LYS 12 -0.548 9.623 3.043 967 H HIS 13 H HIS 13 4.686 6.558 0.497 968 HA HIS 13 HA HIS 13 5.473 4.831 -1.715 969 1HB HIS 13 1HB HIS 13 7.389 5.872 -1.036 970 2HB HIS 13 2HB HIS 13 6.857 6.041 0.625 971 HD1 HIS 13 HD1 HIS 13 9.155 4.145 -1.413 972 HD2 HIS 13 HD2 HIS 13 6.885 3.356 2.025 973 HE1 HIS 13 HE1 HIS 13 10.209 2.097 -0.315 974 HE2 HIS 13 HE2 HIS 13 8.805 1.694 1.821 975 H VAL 14 H VAL 14 4.667 2.800 -1.753 976 HA VAL 14 HA VAL 14 3.751 1.681 0.790 977 HB VAL 14 HB VAL 14 3.138 1.054 -2.100 978 1HG1 VAL 14 1HG1 VAL 14 2.830 -0.607 0.313 979 2HG1 VAL 14 2HG1 VAL 14 1.332 -0.402 -0.627 980 3HG1 VAL 14 3HG1 VAL 14 2.790 -1.059 -1.408 981 1HG2 VAL 14 1HG2 VAL 14 1.181 2.172 -1.832 982 2HG2 VAL 14 2HG2 VAL 14 1.004 1.678 -0.131 983 3HG2 VAL 14 3HG2 VAL 14 2.093 3.019 -0.559 984 H LEU 15 H LEU 15 4.807 0.002 1.747 985 HA LEU 15 HA LEU 15 6.677 -1.514 0.089 986 1HB LEU 15 1HB LEU 15 8.120 0.054 1.050 987 2HB LEU 15 2HB LEU 15 7.299 0.014 2.597 988 HG LEU 15 HG LEU 15 8.634 -2.484 1.618 989 1HD1 LEU 15 1HD1 LEU 15 10.368 -0.751 3.241 990 2HD1 LEU 15 2HD1 LEU 15 10.750 -1.786 1.844 991 3HD1 LEU 15 3HD1 LEU 15 10.074 -0.159 1.588 992 1HD2 LEU 15 1HD2 LEU 15 7.463 -2.836 3.604 993 2HD2 LEU 15 2HD2 LEU 15 9.140 -2.578 4.143 994 3HD2 LEU 15 3HD2 LEU 15 7.947 -1.264 4.285 995 H LEU 16 H LEU 16 7.067 -3.681 0.852 996 HA LEU 16 HA LEU 16 5.210 -4.510 2.967 997 1HB LEU 16 1HB LEU 16 4.709 -6.525 1.659 998 2HB LEU 16 2HB LEU 16 4.130 -5.047 0.918 999 HG LEU 16 HG LEU 16 6.519 -5.279 -0.340 1000 1HD1 LEU 16 1HD1 LEU 16 6.532 -7.785 -1.038 1001 2HD1 LEU 16 2HD1 LEU 16 7.334 -7.285 0.471 1002 3HD1 LEU 16 3HD1 LEU 16 5.724 -8.042 0.527 1003 1HD2 LEU 16 1HD2 LEU 16 5.307 -5.972 -2.264 1004 2HD2 LEU 16 2HD2 LEU 16 4.044 -6.745 -1.276 1005 3HD2 LEU 16 3HD2 LEU 16 4.206 -4.973 -1.287 1006 H ALA 17 H ALA 17 5.910 -6.317 4.236 1007 HA ALA 17 HA ALA 17 8.495 -7.448 3.674 1008 1HB ALA 17 1HB ALA 17 9.562 -6.657 5.710 1009 2HB ALA 17 2HB ALA 17 9.018 -5.249 4.765 1010 3HB ALA 17 3HB ALA 17 8.088 -5.780 6.188 1011 H SER 18 H SER 18 8.780 -9.437 4.755 1012 HA SER 18 HA SER 18 6.556 -10.153 6.498 1013 1HB SER 18 1HB SER 18 7.875 -11.961 4.424 1014 2HB SER 18 2HB SER 18 6.574 -12.423 5.504 1015 HG SER 18 HG SER 18 5.874 -10.136 4.150 1016 H PHE 19 H PHE 19 7.103 -11.452 8.319 1017 HA PHE 19 HA PHE 19 9.963 -11.553 8.842 1018 1HB PHE 19 1HB PHE 19 7.374 -11.888 10.463 1019 2HB PHE 19 2HB PHE 19 8.948 -12.168 11.182 1020 HD1 PHE 19 HD1 PHE 19 10.663 -10.168 10.877 1021 HD2 PHE 19 HD2 PHE 19 6.443 -9.784 10.654 1022 HE1 PHE 19 HE1 PHE 19 10.858 -7.722 11.407 1023 HE2 PHE 19 HE2 PHE 19 6.638 -7.338 11.184 1024 HZ PHE 19 HZ PHE 19 8.843 -6.336 11.554 1025 H LYS 20 H LYS 20 11.077 -13.411 8.505 1026 HA LYS 20 HA LYS 20 10.104 -15.730 7.577 1027 1HB LYS 20 1HB LYS 20 12.476 -15.260 9.402 1028 2HB LYS 20 2HB LYS 20 12.162 -16.790 8.608 1029 1HG LYS 20 1HG LYS 20 12.190 -15.645 6.383 1030 2HG LYS 20 2HG LYS 20 12.498 -14.112 7.175 1031 1HD LYS 20 1HD LYS 20 14.378 -16.296 7.939 1032 2HD LYS 20 2HD LYS 20 14.463 -15.821 6.255 1033 1HE LYS 20 1HE LYS 20 15.126 -13.615 6.760 1034 2HE LYS 20 2HE LYS 20 14.405 -13.648 8.356 1035 1HZ LYS 20 1HZ LYS 20 16.995 -14.070 7.820 1036 2HZ LYS 20 2HZ LYS 20 16.248 -14.499 9.208 1037 3HZ LYS 20 3HZ LYS 20 16.450 -15.597 8.016 1038 H ASP 21 H ASP 21 9.779 -17.901 8.577 1039 HA ASP 21 HA ASP 21 8.073 -17.562 10.855 1040 1HB ASP 21 1HB ASP 21 8.235 -19.332 8.607 1041 2HB ASP 21 2HB ASP 21 8.439 -20.331 10.032 1042 H GLY 22 H GLY 22 8.971 -17.767 12.911 1043 1HA GLY 22 1HA GLY 22 10.012 -19.690 14.238 1044 2HA GLY 22 2HA GLY 22 11.398 -19.415 13.202 1045 H VAL 23 H VAL 23 10.365 -16.384 13.209 1046 HA VAL 23 HA VAL 23 12.121 -15.626 15.347 1047 HB VAL 23 HB VAL 23 10.539 -14.160 13.244 1048 1HG1 VAL 23 1HG1 VAL 23 12.219 -12.981 15.478 1049 2HG1 VAL 23 2HG1 VAL 23 11.717 -12.088 14.022 1050 3HG1 VAL 23 3HG1 VAL 23 10.491 -12.701 15.158 1051 1HG2 VAL 23 1HG2 VAL 23 12.700 -13.636 12.307 1052 2HG2 VAL 23 2HG2 VAL 23 13.532 -14.353 13.708 1053 3HG2 VAL 23 3HG2 VAL 23 12.615 -15.392 12.591 1054 H SER 24 H SER 24 11.578 -14.718 17.325 1055 HA SER 24 HA SER 24 9.136 -15.414 18.386 1056 1HB SER 24 1HB SER 24 11.165 -13.336 19.320 1057 2HB SER 24 2HB SER 24 9.826 -13.900 20.299 1058 HG SER 24 HG SER 24 10.722 -16.120 19.985 1059 HA PRO 25 HA PRO 25 6.602 -12.080 17.186 1060 1HB PRO 25 1HB PRO 25 4.575 -12.303 19.006 1061 2HB PRO 25 2HB PRO 25 4.688 -13.302 17.570 1062 1HG PRO 25 1HG PRO 25 5.259 -14.022 20.380 1063 2HG PRO 25 2HG PRO 25 4.954 -15.079 19.016 1064 1HD PRO 25 1HD PRO 25 7.499 -14.506 20.207 1065 2HD PRO 25 2HD PRO 25 7.207 -15.469 18.773 1066 H GLU 26 H GLU 26 7.411 -12.279 20.587 1067 HA GLU 26 HA GLU 26 6.717 -9.639 21.127 1068 1HB GLU 26 1HB GLU 26 7.996 -11.876 22.499 1069 2HB GLU 26 2HB GLU 26 8.807 -10.374 22.898 1070 1HG GLU 26 1HG GLU 26 6.623 -9.343 23.518 1071 2HG GLU 26 2HG GLU 26 5.790 -10.822 23.082 1072 H LYS 27 H LYS 27 9.529 -11.139 19.609 1073 HA LYS 27 HA LYS 27 11.267 -8.917 20.033 1074 1HB LYS 27 1HB LYS 27 12.091 -11.219 19.757 1075 2HB LYS 27 2HB LYS 27 11.454 -11.268 18.126 1076 1HG LYS 27 1HG LYS 27 13.565 -10.557 17.561 1077 2HG LYS 27 2HG LYS 27 12.917 -8.974 17.945 1078 1HD LYS 27 1HD LYS 27 13.733 -9.268 20.326 1079 2HD LYS 27 2HD LYS 27 14.469 -10.786 19.853 1080 1HE LYS 27 1HE LYS 27 16.273 -9.721 18.972 1081 2HE LYS 27 2HE LYS 27 15.255 -8.701 17.974 1082 1HZ LYS 27 1HZ LYS 27 15.771 -8.209 20.824 1083 2HZ LYS 27 2HZ LYS 27 16.571 -7.476 19.603 1084 3HZ LYS 27 3HZ LYS 27 14.969 -7.223 19.799 1085 H ILE 28 H ILE 28 8.985 -10.016 17.496 1086 HA ILE 28 HA ILE 28 9.773 -8.248 15.506 1087 HB ILE 28 HB ILE 28 7.191 -9.632 16.169 1088 1HG1 ILE 28 1HG1 ILE 28 8.861 -10.061 13.713 1089 2HG1 ILE 28 2HG1 ILE 28 9.405 -10.727 15.240 1090 1HG2 ILE 28 1HG2 ILE 28 6.791 -8.887 13.609 1091 2HG2 ILE 28 2HG2 ILE 28 6.157 -7.994 15.012 1092 3HG2 ILE 28 3HG2 ILE 28 7.654 -7.454 14.215 1093 1HD1 ILE 28 1HD1 ILE 28 6.711 -11.415 15.246 1094 2HD1 ILE 28 2HD1 ILE 28 7.144 -11.558 13.526 1095 3HD1 ILE 28 3HD1 ILE 28 8.042 -12.487 14.751 1096 H GLU 29 H GLU 29 7.286 -7.887 18.120 1097 HA GLU 29 HA GLU 29 6.569 -5.316 17.365 1098 1HB GLU 29 1HB GLU 29 5.586 -5.185 19.673 1099 2HB GLU 29 2HB GLU 29 5.135 -6.640 18.809 1100 1HG GLU 29 1HG GLU 29 6.780 -7.970 20.030 1101 2HG GLU 29 2HG GLU 29 7.490 -6.537 20.745 1102 H GLU 30 H GLU 30 9.273 -6.604 19.263 1103 HA GLU 30 HA GLU 30 9.911 -4.285 20.636 1104 1HB GLU 30 1HB GLU 30 11.186 -6.875 20.013 1105 2HB GLU 30 2HB GLU 30 12.347 -5.575 20.195 1106 1HG GLU 30 1HG GLU 30 10.340 -5.341 22.282 1107 2HG GLU 30 2HG GLU 30 10.948 -6.984 22.263 1108 H LEU 31 H LEU 31 10.696 -5.442 17.333 1109 HA LEU 31 HA LEU 31 12.592 -3.380 16.838 1110 1HB LEU 31 1HB LEU 31 11.630 -5.750 15.572 1111 2HB LEU 31 2HB LEU 31 11.498 -4.428 14.429 1112 HG LEU 31 HG LEU 31 14.069 -4.774 15.932 1113 1HD1 LEU 31 1HD1 LEU 31 14.732 -6.661 14.931 1114 2HD1 LEU 31 2HD1 LEU 31 12.997 -6.955 14.661 1115 3HD1 LEU 31 3HD1 LEU 31 13.985 -6.218 13.377 1116 1HD2 LEU 31 1HD2 LEU 31 14.920 -4.049 13.615 1117 2HD2 LEU 31 2HD2 LEU 31 13.221 -3.648 13.270 1118 3HD2 LEU 31 3HD2 LEU 31 14.068 -2.848 14.615 1119 H ILE 32 H ILE 32 9.112 -3.934 16.009 1120 HA ILE 32 HA ILE 32 8.821 -1.561 14.559 1121 HB ILE 32 HB ILE 32 6.820 -3.255 16.056 1122 1HG1 ILE 32 1HG1 ILE 32 7.482 -3.196 13.099 1123 2HG1 ILE 32 2HG1 ILE 32 8.157 -4.354 14.228 1124 1HG2 ILE 32 1HG2 ILE 32 6.214 -0.783 15.482 1125 2HG2 ILE 32 2HG2 ILE 32 6.093 -1.395 13.816 1126 3HG2 ILE 32 3HG2 ILE 32 5.073 -2.093 15.097 1127 1HD1 ILE 32 1HD1 ILE 32 5.309 -4.288 14.654 1128 2HD1 ILE 32 2HD1 ILE 32 5.609 -4.448 12.907 1129 3HD1 ILE 32 3HD1 ILE 32 6.302 -5.632 14.042 1130 H LYS 33 H LYS 33 8.782 -2.311 18.039 1131 HA LYS 33 HA LYS 33 7.538 0.043 18.892 1132 1HB LYS 33 1HB LYS 33 9.072 -2.175 20.081 1133 2HB LYS 33 2HB LYS 33 9.227 -0.660 20.946 1134 1HG LYS 33 1HG LYS 33 6.483 -1.590 20.055 1135 2HG LYS 33 2HG LYS 33 7.209 -2.297 21.485 1136 1HD LYS 33 1HD LYS 33 6.803 0.699 21.040 1137 2HD LYS 33 2HD LYS 33 5.754 -0.316 22.010 1138 1HE LYS 33 1HE LYS 33 8.020 -0.960 23.262 1139 2HE LYS 33 2HE LYS 33 8.605 0.539 22.567 1140 1HZ LYS 33 1HZ LYS 33 7.661 1.382 24.387 1141 2HZ LYS 33 2HZ LYS 33 6.271 1.310 23.532 1142 3HZ LYS 33 3HZ LYS 33 6.629 0.136 24.608 1143 H GLY 34 H GLY 34 10.925 -0.761 18.027 1144 1HA GLY 34 1HA GLY 34 12.013 1.706 18.962 1145 2HA GLY 34 2HA GLY 34 12.779 0.525 17.918 1146 H TYR 35 H TYR 35 10.940 0.413 15.748 1147 HA TYR 35 HA TYR 35 11.802 2.321 14.067 1148 1HB TYR 35 1HB TYR 35 9.522 0.455 14.403 1149 2HB TYR 35 2HB TYR 35 9.027 1.859 13.477 1150 HD1 TYR 35 HD1 TYR 35 9.409 1.912 11.172 1151 HD2 TYR 35 HD2 TYR 35 11.728 -0.737 13.603 1152 HE1 TYR 35 HE1 TYR 35 10.442 0.890 9.086 1153 HE2 TYR 35 HE2 TYR 35 12.753 -1.750 11.509 1154 HH TYR 35 HH TYR 35 13.170 -1.129 9.230 1155 H ALA 36 H ALA 36 9.097 2.613 16.414 1156 HA ALA 36 HA ALA 36 8.110 5.045 15.406 1157 1HB ALA 36 1HB ALA 36 7.813 4.594 18.300 1158 2HB ALA 36 2HB ALA 36 6.571 4.732 17.032 1159 3HB ALA 36 3HB ALA 36 7.381 3.173 17.319 1160 H ASN 37 H ASN 37 10.546 4.197 17.937 1161 HA ASN 37 HA ASN 37 10.948 6.868 18.679 1162 1HB ASN 37 1HB ASN 37 12.389 4.240 19.115 1163 2HB ASN 37 2HB ASN 37 13.245 5.718 19.508 1164 1HD2 ASN 37 1HD2 ASN 37 13.017 4.381 21.602 1165 2HD2 ASN 37 2HD2 ASN 37 11.707 4.816 22.650 1166 H LEU 38 H LEU 38 12.204 4.679 16.173 1167 HA LEU 38 HA LEU 38 14.537 6.205 15.597 1168 1HB LEU 38 1HB LEU 38 13.244 3.756 14.686 1169 2HB LEU 38 2HB LEU 38 13.938 4.675 13.365 1170 HG LEU 38 HG LEU 38 15.762 4.452 15.645 1171 1HD1 LEU 38 1HD1 LEU 38 16.209 2.131 15.602 1172 2HD1 LEU 38 2HD1 LEU 38 14.448 2.292 15.810 1173 3HD1 LEU 38 3HD1 LEU 38 15.121 1.866 14.218 1174 1HD2 LEU 38 1HD2 LEU 38 16.637 3.237 13.167 1175 2HD2 LEU 38 2HD2 LEU 38 15.889 4.826 12.875 1176 3HD2 LEU 38 3HD2 LEU 38 17.250 4.678 14.013 1177 H VAL 39 H VAL 39 11.209 5.933 14.221 1178 HA VAL 39 HA VAL 39 11.647 7.684 12.090 1179 HB VAL 39 HB VAL 39 9.670 6.033 12.885 1180 1HG1 VAL 39 1HG1 VAL 39 7.711 7.167 13.560 1181 2HG1 VAL 39 2HG1 VAL 39 9.000 7.798 14.614 1182 3HG1 VAL 39 3HG1 VAL 39 8.422 8.767 13.236 1183 1HG2 VAL 39 1HG2 VAL 39 8.403 6.831 10.979 1184 2HG2 VAL 39 2HG2 VAL 39 9.265 8.388 11.011 1185 3HG2 VAL 39 3HG2 VAL 39 10.140 6.894 10.597 1186 H ASN 40 H ASN 40 10.973 8.182 15.549 1187 HA ASN 40 HA ASN 40 10.355 10.931 15.160 1188 1HB ASN 40 1HB ASN 40 9.368 9.699 17.060 1189 2HB ASN 40 2HB ASN 40 10.957 9.266 17.658 1190 1HD2 ASN 40 1HD2 ASN 40 10.946 10.244 19.581 1191 2HD2 ASN 40 2HD2 ASN 40 10.819 11.950 19.849 1192 H LEU 41 H LEU 41 13.187 8.949 15.357 1193 HA LEU 41 HA LEU 41 14.869 10.918 16.601 1194 1HB LEU 41 1HB LEU 41 14.954 8.140 16.066 1195 2HB LEU 41 2HB LEU 41 16.307 8.859 15.215 1196 HG LEU 41 HG LEU 41 17.049 8.151 17.377 1197 1HD1 LEU 41 1HD1 LEU 41 17.244 10.820 16.464 1198 2HD1 LEU 41 2HD1 LEU 41 17.067 10.889 18.233 1199 3HD1 LEU 41 3HD1 LEU 41 18.373 9.923 17.507 1200 1HD2 LEU 41 1HD2 LEU 41 14.894 8.064 18.518 1201 2HD2 LEU 41 2HD2 LEU 41 16.088 8.976 19.473 1202 3HD2 LEU 41 3HD2 LEU 41 14.830 9.843 18.560 1203 H ILE 42 H ILE 42 14.446 9.508 13.285 1204 HA ILE 42 HA ILE 42 16.344 11.102 12.047 1205 HB ILE 42 HB ILE 42 13.793 9.963 10.899 1206 1HG1 ILE 42 1HG1 ILE 42 14.844 8.122 11.869 1207 2HG1 ILE 42 2HG1 ILE 42 15.397 8.088 10.207 1208 1HG2 ILE 42 1HG2 ILE 42 14.694 11.521 9.348 1209 2HG2 ILE 42 2HG2 ILE 42 16.354 10.937 9.617 1210 3HG2 ILE 42 3HG2 ILE 42 15.169 9.899 8.789 1211 1HD1 ILE 42 1HD1 ILE 42 16.921 9.006 12.669 1212 2HD1 ILE 42 2HD1 ILE 42 17.369 7.746 11.495 1213 3HD1 ILE 42 3HD1 ILE 42 17.444 9.462 11.030 1214 H GLU 43 H GLU 43 16.436 13.282 12.350 1215 HA GLU 43 HA GLU 43 14.417 14.919 13.003 1216 1HB GLU 43 1HB GLU 43 17.104 15.194 11.917 1217 2HB GLU 43 2HB GLU 43 16.067 16.438 11.248 1218 1HG GLU 43 1HG GLU 43 15.257 16.679 13.791 1219 2HG GLU 43 2HG GLU 43 16.804 15.931 14.134 1220 HA PRO 44 HA PRO 44 13.444 15.579 8.406 1221 1HB PRO 44 1HB PRO 44 14.593 13.970 6.519 1222 2HB PRO 44 2HB PRO 44 15.224 15.549 6.945 1223 1HG PRO 44 1HG PRO 44 16.264 12.879 7.672 1224 2HG PRO 44 2HG PRO 44 17.085 14.427 7.717 1225 1HD PRO 44 1HD PRO 44 16.025 12.981 9.956 1226 2HD PRO 44 2HD PRO 44 16.742 14.580 9.985 1227 H MET 45 H MET 45 11.431 14.924 9.154 1228 HA MET 45 HA MET 45 10.588 12.555 7.811 1229 1HB MET 45 1HB MET 45 11.531 12.200 10.392 1230 2HB MET 45 2HB MET 45 9.846 12.549 10.721 1231 1HG MET 45 1HG MET 45 10.071 10.137 10.461 1232 2HG MET 45 2HG MET 45 9.188 10.743 9.074 1233 1HE MET 45 1HE MET 45 10.035 8.210 9.049 1234 2HE MET 45 2HE MET 45 11.094 7.859 7.662 1235 3HE MET 45 3HE MET 45 11.763 7.872 9.312 1236 H LYS 46 H LYS 46 8.195 12.327 9.658 1237 HA LYS 46 HA LYS 46 6.944 14.834 9.830 1238 1HB LYS 46 1HB LYS 46 7.029 13.836 7.195 1239 2HB LYS 46 2HB LYS 46 5.402 13.516 7.761 1240 1HG LYS 46 1HG LYS 46 6.614 16.223 8.339 1241 2HG LYS 46 2HG LYS 46 6.065 15.890 6.709 1242 1HD LYS 46 1HD LYS 46 4.194 15.172 8.954 1243 2HD LYS 46 2HD LYS 46 4.421 16.877 8.623 1244 1HE LYS 46 1HE LYS 46 4.102 15.616 6.075 1245 2HE LYS 46 2HE LYS 46 2.879 14.917 7.118 1246 1HZ LYS 46 1HZ LYS 46 2.448 17.321 7.778 1247 2HZ LYS 46 2HZ LYS 46 3.268 17.724 6.424 1248 3HZ LYS 46 3HZ LYS 46 1.910 16.822 6.319 1249 H ALA 47 H ALA 47 5.682 11.639 8.675 1250 HA ALA 47 HA ALA 47 4.823 11.020 11.368 1251 1HB ALA 47 1HB ALA 47 2.893 11.541 9.074 1252 2HB ALA 47 2HB ALA 47 2.450 10.710 10.585 1253 3HB ALA 47 3HB ALA 47 2.982 12.408 10.626 1254 H PHE 48 H PHE 48 4.297 8.765 11.616 1255 HA PHE 48 HA PHE 48 5.230 7.181 9.330 1256 1HB PHE 48 1HB PHE 48 6.480 7.222 11.605 1257 2HB PHE 48 2HB PHE 48 5.048 6.517 12.328 1258 HD1 PHE 48 HD1 PHE 48 5.461 4.323 12.886 1259 HD2 PHE 48 HD2 PHE 48 6.913 5.776 9.173 1260 HE1 PHE 48 HE1 PHE 48 6.304 2.029 12.318 1261 HE2 PHE 48 HE2 PHE 48 7.756 3.482 8.605 1262 HZ PHE 48 HZ PHE 48 7.441 1.635 10.184 1263 H HIS 49 H HIS 49 3.774 5.880 8.321 1264 HA HIS 49 HA HIS 49 1.342 5.252 9.831 1265 1HB HIS 49 1HB HIS 49 1.728 6.458 7.223 1266 2HB HIS 49 2HB HIS 49 0.808 4.973 7.080 1267 HD1 HIS 49 HD1 HIS 49 0.020 8.287 7.112 1268 HD2 HIS 49 HD2 HIS 49 -1.151 5.177 9.672 1269 HE1 HIS 49 HE1 HIS 49 -2.156 9.044 8.208 1270 HE2 HIS 49 HE2 HIS 49 -2.855 7.071 9.728 1271 H TRP 50 H TRP 50 0.779 3.111 10.043 1272 HA TRP 50 HA TRP 50 2.192 1.190 8.349 1273 1HB TRP 50 1HB TRP 50 3.195 0.064 10.016 1274 2HB TRP 50 2HB TRP 50 3.219 1.657 10.746 1275 HD1 TRP 50 HD1 TRP 50 1.203 2.100 12.668 1276 HE1 TRP 50 HE1 TRP 50 0.046 0.487 14.407 1277 HE3 TRP 50 HE3 TRP 50 2.488 -2.219 10.312 1278 HZ2 TRP 50 HZ2 TRP 50 -0.196 -2.350 14.599 1279 HZ3 TRP 50 HZ3 TRP 50 1.752 -4.367 11.342 1280 HH2 TRP 50 HH2 TRP 50 0.455 -4.477 13.410 1281 H GLY 51 H GLY 51 0.985 -0.810 8.094 1282 1HA GLY 51 1HA GLY 51 -1.595 -1.045 9.396 1283 2HA GLY 51 2HA GLY 51 -1.662 -0.671 7.685 1284 H LYS 52 H LYS 52 -2.057 -3.195 9.638 1285 HA LYS 52 HA LYS 52 -0.549 -5.039 7.918 1286 1HB LYS 52 1HB LYS 52 -0.519 -6.599 9.753 1287 2HB LYS 52 2HB LYS 52 0.132 -5.065 10.294 1288 1HG LYS 52 1HG LYS 52 -1.548 -4.751 11.810 1289 2HG LYS 52 2HG LYS 52 -2.791 -5.216 10.665 1290 1HD LYS 52 1HD LYS 52 -2.840 -6.872 12.411 1291 2HD LYS 52 2HD LYS 52 -2.102 -7.650 11.025 1292 1HE LYS 52 1HE LYS 52 0.122 -7.422 11.952 1293 2HE LYS 52 2HE LYS 52 -0.424 -6.299 13.181 1294 1HZ LYS 52 1HZ LYS 52 -0.711 -9.167 13.083 1295 2HZ LYS 52 2HZ LYS 52 -0.444 -8.190 14.364 1296 3HZ LYS 52 3HZ LYS 52 -1.950 -8.339 13.751 1297 H ASP 53 H ASP 53 -1.647 -6.880 7.068 1298 HA ASP 53 HA ASP 53 -4.051 -6.466 6.027 1299 1HB ASP 53 1HB ASP 53 -4.281 -9.051 6.041 1300 2HB ASP 53 2HB ASP 53 -2.862 -8.370 5.270 1301 H VAL 54 H VAL 54 -6.233 -6.610 6.714 1302 HA VAL 54 HA VAL 54 -6.630 -6.997 9.558 1303 HB VAL 54 HB VAL 54 -8.643 -6.237 7.441 1304 1HG1 VAL 54 1HG1 VAL 54 -9.873 -6.662 9.346 1305 2HG1 VAL 54 2HG1 VAL 54 -8.556 -6.178 10.440 1306 3HG1 VAL 54 3HG1 VAL 54 -9.495 -4.938 9.574 1307 1HG2 VAL 54 1HG2 VAL 54 -6.581 -4.768 7.420 1308 2HG2 VAL 54 2HG2 VAL 54 -8.116 -3.932 7.757 1309 3HG2 VAL 54 3HG2 VAL 54 -6.992 -4.301 9.087 1310 H SER 55 H SER 55 -8.733 -8.245 10.181 1311 HA SER 55 HA SER 55 -8.397 -10.836 9.836 1312 1HB SER 55 1HB SER 55 -10.692 -9.112 10.518 1313 2HB SER 55 2HB SER 55 -11.190 -10.662 9.871 1314 HG SER 55 HG SER 55 -9.110 -10.889 11.723 1315 H ILE 56 H ILE 56 -7.871 -11.733 7.832 1316 HA ILE 56 HA ILE 56 -9.877 -11.365 5.717 1317 HB ILE 56 HB ILE 56 -7.189 -10.735 5.663 1318 1HG1 ILE 56 1HG1 ILE 56 -8.804 -9.722 4.225 1319 2HG1 ILE 56 2HG1 ILE 56 -7.578 -10.461 3.214 1320 1HG2 ILE 56 1HG2 ILE 56 -6.643 -13.152 5.614 1321 2HG2 ILE 56 2HG2 ILE 56 -7.570 -13.304 4.102 1322 3HG2 ILE 56 3HG2 ILE 56 -6.114 -12.281 4.155 1323 1HD1 ILE 56 1HD1 ILE 56 -10.448 -11.217 3.581 1324 2HD1 ILE 56 2HD1 ILE 56 -9.422 -11.314 2.129 1325 3HD1 ILE 56 3HD1 ILE 56 -9.298 -12.562 3.392 1326 H GLU 57 H GLU 57 -8.863 -13.428 8.120 1327 HA GLU 57 HA GLU 57 -9.254 -15.525 8.536 1328 1HB GLU 57 1HB GLU 57 -11.174 -14.928 6.500 1329 2HB GLU 57 2HB GLU 57 -10.535 -16.517 6.133 1330 1HG GLU 57 1HG GLU 57 -11.261 -15.919 9.000 1331 2HG GLU 57 2HG GLU 57 -12.568 -16.177 7.862 1332 H ASN 58 H ASN 58 -8.941 -15.703 4.916 1333 HA ASN 58 HA ASN 58 -6.269 -16.559 5.087 1334 1HB ASN 58 1HB ASN 58 -8.001 -18.614 5.660 1335 2HB ASN 58 2HB ASN 58 -7.970 -18.742 3.912 1336 1HD2 ASN 58 1HD2 ASN 58 -6.979 -20.797 4.271 1337 2HD2 ASN 58 2HD2 ASN 58 -5.274 -20.931 4.550 1338 H LEU 59 H LEU 59 -5.437 -15.772 3.144 1339 HA LEU 59 HA LEU 59 -6.491 -16.389 0.652 1340 1HB LEU 59 1HB LEU 59 -7.895 -14.275 1.946 1341 2HB LEU 59 2HB LEU 59 -6.968 -13.579 0.632 1342 HG LEU 59 HG LEU 59 -8.635 -16.023 0.117 1343 1HD1 LEU 59 1HD1 LEU 59 -10.378 -14.130 -0.623 1344 2HD1 LEU 59 2HD1 LEU 59 -10.406 -14.903 0.980 1345 3HD1 LEU 59 3HD1 LEU 59 -9.647 -13.306 0.775 1346 1HD2 LEU 59 1HD2 LEU 59 -7.893 -15.664 -1.941 1347 2HD2 LEU 59 2HD2 LEU 59 -8.795 -14.129 -1.965 1348 3HD2 LEU 59 3HD2 LEU 59 -7.095 -14.154 -1.436 1349 H HIS 60 H HIS 60 -4.745 -14.007 2.705 1350 HA HIS 60 HA HIS 60 -3.079 -12.998 0.756 1351 1HB HIS 60 1HB HIS 60 -1.784 -12.136 2.512 1352 2HB HIS 60 2HB HIS 60 -3.422 -12.199 3.133 1353 HD1 HIS 60 HD1 HIS 60 -0.005 -13.254 3.898 1354 HD2 HIS 60 HD2 HIS 60 -3.868 -14.542 4.907 1355 HE1 HIS 60 HE1 HIS 60 0.252 -14.744 5.954 1356 HE2 HIS 60 HE2 HIS 60 -2.160 -15.460 6.559 1357 H GLN 61 H GLN 61 -0.799 -13.469 0.267 1358 HA GLN 61 HA GLN 61 -0.395 -16.341 0.306 1359 1HB GLN 61 1HB GLN 61 0.503 -14.091 -1.480 1360 2HB GLN 61 2HB GLN 61 1.531 -15.505 -1.373 1361 1HG GLN 61 1HG GLN 61 -0.297 -15.506 -3.214 1362 2HG GLN 61 2HG GLN 61 -0.141 -16.954 -2.239 1363 1HE2 GLN 61 1HE2 GLN 61 -2.137 -14.387 -3.232 1364 2HE2 GLN 61 2HE2 GLN 61 -3.544 -14.731 -2.282 1365 H GLY 62 H GLY 62 0.760 -13.328 1.662 1366 1HA GLY 62 1HA GLY 62 2.167 -14.143 3.722 1367 2HA GLY 62 2HA GLY 62 3.328 -14.486 2.455 1368 H TYR 63 H TYR 63 0.948 -11.781 2.975 1369 HA TYR 63 HA TYR 63 2.960 -9.885 2.156 1370 1HB TYR 63 1HB TYR 63 0.035 -10.169 2.564 1371 2HB TYR 63 2HB TYR 63 0.604 -8.659 3.246 1372 HD1 TYR 63 HD1 TYR 63 -0.433 -10.321 0.272 1373 HD2 TYR 63 HD2 TYR 63 2.047 -7.137 1.691 1374 HE1 TYR 63 HE1 TYR 63 -0.462 -9.259 -2.038 1375 HE2 TYR 63 HE2 TYR 63 2.010 -6.085 -0.623 1376 HH TYR 63 HH TYR 63 1.040 -6.112 -2.593 1377 H THR 64 H THR 64 1.239 -10.882 5.155 1378 HA THR 64 HA THR 64 1.743 -10.537 7.298 1379 HB THR 64 HB THR 64 4.288 -9.069 6.521 1380 HG1 THR 64 HG1 THR 64 5.023 -11.459 6.352 1381 1HG2 THR 64 1HG2 THR 64 3.941 -9.494 8.931 1382 2HG2 THR 64 2HG2 THR 64 3.552 -11.199 8.597 1383 3HG2 THR 64 3HG2 THR 64 5.203 -10.593 8.324 1384 H HIS 65 H HIS 65 2.826 -7.618 5.430 1385 HA HIS 65 HA HIS 65 0.711 -6.048 6.099 1386 1HB HIS 65 1HB HIS 65 1.765 -4.611 7.926 1387 2HB HIS 65 2HB HIS 65 1.057 -6.143 8.402 1388 HD1 HIS 65 HD1 HIS 65 2.637 -7.975 9.327 1389 HD2 HIS 65 HD2 HIS 65 4.616 -4.488 8.094 1390 HE1 HIS 65 HE1 HIS 65 5.024 -8.157 10.211 1391 HE2 HIS 65 HE2 HIS 65 6.206 -6.012 9.375 1392 H ILE 66 H ILE 66 1.306 -3.601 5.843 1393 HA ILE 66 HA ILE 66 3.726 -3.387 4.200 1394 HB ILE 66 HB ILE 66 2.538 -2.073 2.575 1395 1HG1 ILE 66 1HG1 ILE 66 -0.178 -2.687 3.551 1396 2HG1 ILE 66 2HG1 ILE 66 0.707 -1.551 4.551 1397 1HG2 ILE 66 1HG2 ILE 66 0.937 -4.600 2.998 1398 2HG2 ILE 66 2HG2 ILE 66 1.376 -3.805 1.467 1399 3HG2 ILE 66 3HG2 ILE 66 2.629 -4.605 2.446 1400 1HD1 ILE 66 1HD1 ILE 66 1.334 -0.508 2.134 1401 2HD1 ILE 66 2HD1 ILE 66 -0.219 -1.269 1.713 1402 3HD1 ILE 66 3HD1 ILE 66 -0.146 -0.054 3.011 1403 H PHE 67 H PHE 67 4.835 -1.404 4.349 1404 HA PHE 67 HA PHE 67 3.809 0.336 6.480 1405 1HB PHE 67 1HB PHE 67 6.640 -0.398 5.522 1406 2HB PHE 67 2HB PHE 67 6.334 0.822 6.741 1407 HD1 PHE 67 HD1 PHE 67 4.657 -0.129 8.685 1408 HD2 PHE 67 HD2 PHE 67 7.321 -2.439 6.323 1409 HE1 PHE 67 HE1 PHE 67 4.703 -1.897 10.466 1410 HE2 PHE 67 HE2 PHE 67 7.367 -4.206 8.104 1411 HZ PHE 67 HZ PHE 67 6.058 -3.914 10.154 1412 H GLU 68 H GLU 68 3.403 2.438 5.953 1413 HA GLU 68 HA GLU 68 4.500 3.324 3.399 1414 1HB GLU 68 1HB GLU 68 1.792 3.322 4.436 1415 2HB GLU 68 2HB GLU 68 2.293 4.978 4.156 1416 1HG GLU 68 1HG GLU 68 2.883 4.483 1.833 1417 2HG GLU 68 2HG GLU 68 2.648 2.764 2.084 1418 H SER 69 H SER 69 5.648 5.263 3.330 1419 HA SER 69 HA SER 69 5.909 6.582 5.918 1420 1HB SER 69 1HB SER 69 7.961 5.409 4.968 1421 2HB SER 69 2HB SER 69 7.938 6.555 3.643 1422 HG SER 69 HG SER 69 9.377 7.280 5.295 1423 H THR 70 H THR 70 5.436 8.777 6.032 1424 HA THR 70 HA THR 70 4.832 10.092 3.465 1425 HB THR 70 HB THR 70 3.194 11.420 4.921 1426 HG1 THR 70 HG1 THR 70 4.172 10.943 6.974 1427 1HG2 THR 70 1HG2 THR 70 2.272 9.501 3.663 1428 2HG2 THR 70 2HG2 THR 70 2.892 8.371 4.890 1429 3HG2 THR 70 3HG2 THR 70 1.584 9.505 5.305 1430 H PHE 71 H PHE 71 5.862 11.938 2.938 1431 HA PHE 71 HA PHE 71 7.419 13.198 5.081 1432 1HB PHE 71 1HB PHE 71 8.137 12.080 2.373 1433 2HB PHE 71 2HB PHE 71 8.850 13.639 2.737 1434 HD1 PHE 71 HD1 PHE 71 8.451 10.231 4.192 1435 HD2 PHE 71 HD2 PHE 71 10.834 13.733 3.937 1436 HE1 PHE 71 HE1 PHE 71 10.260 9.096 5.511 1437 HE2 PHE 71 HE2 PHE 71 12.643 12.598 5.257 1438 HZ PHE 71 HZ PHE 71 12.334 10.293 6.028 1439 H GLU 72 H GLU 72 8.297 15.454 4.155 1440 HA GLU 72 HA GLU 72 6.177 16.635 2.555 1441 1HB GLU 72 1HB GLU 72 6.279 18.661 4.097 1442 2HB GLU 72 2HB GLU 72 5.536 17.232 4.788 1443 1HG GLU 72 1HG GLU 72 7.843 16.653 5.777 1444 2HG GLU 72 2HG GLU 72 8.370 18.248 5.276 1445 H SER 73 H SER 73 8.032 16.207 0.959 1446 HA SER 73 HA SER 73 9.178 18.520 0.213 1447 1HB SER 73 1HB SER 73 10.666 18.739 2.014 1448 2HB SER 73 2HB SER 73 10.910 17.011 2.166 1449 HG SER 73 HG SER 73 12.261 18.877 0.574 1450 H LYS 74 H LYS 74 9.206 15.005 0.453 1451 HA LYS 74 HA LYS 74 9.399 13.442 -1.102 1452 1HB LYS 74 1HB LYS 74 8.207 14.970 -2.614 1453 2HB LYS 74 2HB LYS 74 9.720 15.722 -3.076 1454 1HG LYS 74 1HG LYS 74 10.427 13.883 -4.327 1455 2HG LYS 74 2HG LYS 74 9.561 12.730 -3.331 1456 1HD LYS 74 1HD LYS 74 7.412 13.400 -4.319 1457 2HD LYS 74 2HD LYS 74 8.176 14.707 -5.200 1458 1HE LYS 74 1HE LYS 74 8.923 13.316 -6.857 1459 2HE LYS 74 2HE LYS 74 9.467 12.100 -5.719 1460 1HZ LYS 74 1HZ LYS 74 7.483 11.065 -5.775 1461 2HZ LYS 74 2HZ LYS 74 6.611 12.423 -6.025 1462 3HZ LYS 74 3HZ LYS 74 7.413 11.728 -7.266 1463 H GLU 75 H GLU 75 11.754 16.093 -1.919 1464 HA GLU 75 HA GLU 75 13.769 14.287 -2.573 1465 1HB GLU 75 1HB GLU 75 13.859 17.225 -1.770 1466 2HB GLU 75 2HB GLU 75 15.262 16.346 -2.344 1467 1HG GLU 75 1HG GLU 75 14.021 15.787 -4.462 1468 2HG GLU 75 2HG GLU 75 12.652 16.720 -3.889 1469 H ALA 76 H ALA 76 12.655 15.698 0.484 1470 HA ALA 76 HA ALA 76 14.994 15.232 1.974 1471 1HB ALA 76 1HB ALA 76 13.403 15.445 3.911 1472 2HB ALA 76 2HB ALA 76 13.279 16.771 2.731 1473 3HB ALA 76 3HB ALA 76 12.060 15.474 2.744 1474 H VAL 77 H VAL 77 12.050 13.268 1.265 1475 HA VAL 77 HA VAL 77 12.483 11.189 2.988 1476 HB VAL 77 HB VAL 77 10.648 11.781 1.163 1477 1HG1 VAL 77 1HG1 VAL 77 10.736 10.655 -0.838 1478 2HG1 VAL 77 2HG1 VAL 77 12.467 10.995 -0.600 1479 3HG1 VAL 77 3HG1 VAL 77 11.814 9.386 -0.208 1480 1HG2 VAL 77 1HG2 VAL 77 9.567 10.110 2.180 1481 2HG2 VAL 77 2HG2 VAL 77 10.648 8.889 1.468 1482 3HG2 VAL 77 3HG2 VAL 77 11.103 9.703 2.983 1483 H ALA 78 H ALA 78 14.266 12.118 0.080 1484 HA ALA 78 HA ALA 78 15.469 9.632 -0.425 1485 1HB ALA 78 1HB ALA 78 16.743 12.325 -0.962 1486 2HB ALA 78 2HB ALA 78 16.810 10.840 -1.941 1487 3HB ALA 78 3HB ALA 78 15.306 11.789 -1.866 1488 H GLU 79 H GLU 79 16.425 12.486 1.583 1489 HA GLU 79 HA GLU 79 18.909 11.605 2.285 1490 1HB GLU 79 1HB GLU 79 16.902 13.500 3.379 1491 2HB GLU 79 2HB GLU 79 18.043 12.907 4.569 1492 1HG GLU 79 1HG GLU 79 19.924 13.766 3.389 1493 2HG GLU 79 2HG GLU 79 19.046 13.883 1.878 1494 H TYR 80 H TYR 80 15.718 10.945 3.866 1495 HA TYR 80 HA TYR 80 16.676 9.503 6.028 1496 1HB TYR 80 1HB TYR 80 14.354 10.126 5.968 1497 2HB TYR 80 2HB TYR 80 14.183 9.663 4.287 1498 HD1 TYR 80 HD1 TYR 80 14.883 8.079 7.620 1499 HD2 TYR 80 HD2 TYR 80 12.993 7.729 3.798 1500 HE1 TYR 80 HE1 TYR 80 13.847 5.868 8.327 1501 HE2 TYR 80 HE2 TYR 80 11.964 5.519 4.518 1502 HH TYR 80 HH TYR 80 11.953 4.507 7.759 1503 H ILE 81 H ILE 81 15.892 8.457 2.665 1504 HA ILE 81 HA ILE 81 16.283 5.708 3.233 1505 HB ILE 81 HB ILE 81 15.879 7.398 0.812 1506 1HG1 ILE 81 1HG1 ILE 81 14.489 4.869 1.727 1507 2HG1 ILE 81 2HG1 ILE 81 14.022 6.471 2.264 1508 1HG2 ILE 81 1HG2 ILE 81 16.827 4.521 0.723 1509 2HG2 ILE 81 2HG2 ILE 81 16.166 5.436 -0.652 1510 3HG2 ILE 81 3HG2 ILE 81 17.692 5.950 0.106 1511 1HD1 ILE 81 1HD1 ILE 81 13.142 5.192 -0.069 1512 2HD1 ILE 81 2HD1 ILE 81 12.956 6.922 0.309 1513 3HD1 ILE 81 3HD1 ILE 81 14.343 6.367 -0.657 1514 H ALA 82 H ALA 82 18.347 8.410 2.100 1515 HA ALA 82 HA ALA 82 20.569 6.618 1.665 1516 1HB ALA 82 1HB ALA 82 19.760 9.244 0.839 1517 2HB ALA 82 2HB ALA 82 21.332 9.378 1.662 1518 3HB ALA 82 3HB ALA 82 21.146 8.281 0.273 1519 H HIS 83 H HIS 83 19.040 7.529 4.388 1520 HA HIS 83 HA HIS 83 21.214 8.596 5.881 1521 1HB HIS 83 1HB HIS 83 18.541 8.651 6.189 1522 2HB HIS 83 2HB HIS 83 18.904 7.295 7.239 1523 HD1 HIS 83 HD1 HIS 83 19.327 7.951 9.603 1524 HD2 HIS 83 HD2 HIS 83 20.392 10.994 6.919 1525 HE1 HIS 83 HE1 HIS 83 20.116 9.917 11.026 1526 HE2 HIS 83 HE2 HIS 83 20.808 11.735 9.321 1527 HA PRO 84 HA PRO 84 23.106 4.803 6.798 1528 1HB PRO 84 1HB PRO 84 24.817 5.624 8.764 1529 2HB PRO 84 2HB PRO 84 25.158 5.817 7.056 1530 1HG PRO 84 1HG PRO 84 24.323 7.861 9.022 1531 2HG PRO 84 2HG PRO 84 25.067 8.088 7.451 1532 1HD PRO 84 1HD PRO 84 22.302 8.469 8.111 1533 2HD PRO 84 2HD PRO 84 23.025 8.583 6.519 1534 H ALA 85 H ALA 85 21.750 6.700 9.395 1535 HA ALA 85 HA ALA 85 21.782 4.691 11.321 1536 1HB ALA 85 1HB ALA 85 21.083 6.507 12.443 1537 2HB ALA 85 2HB ALA 85 20.679 7.342 10.924 1538 3HB ALA 85 3HB ALA 85 19.477 6.289 11.709 1539 H HIS 86 H HIS 86 19.528 5.431 8.629 1540 HA HIS 86 HA HIS 86 17.593 3.549 9.495 1541 1HB HIS 86 1HB HIS 86 16.505 4.986 8.164 1542 2HB HIS 86 2HB HIS 86 17.958 5.456 7.306 1543 HD1 HIS 86 HD1 HIS 86 15.069 3.054 7.159 1544 HD2 HIS 86 HD2 HIS 86 18.495 3.997 4.930 1545 HE1 HIS 86 HE1 HIS 86 14.804 1.880 4.909 1546 HE2 HIS 86 HE2 HIS 86 16.913 2.541 3.563 1547 H VAL 87 H VAL 87 20.199 3.577 6.979 1548 HA VAL 87 HA VAL 87 19.697 1.040 5.977 1549 HB VAL 87 HB VAL 87 21.959 2.963 6.032 1550 1HG1 VAL 87 1HG1 VAL 87 22.308 0.069 5.178 1551 2HG1 VAL 87 2HG1 VAL 87 23.461 1.388 4.862 1552 3HG1 VAL 87 3HG1 VAL 87 23.127 0.879 6.535 1553 1HG2 VAL 87 1HG2 VAL 87 21.728 2.080 3.480 1554 2HG2 VAL 87 2HG2 VAL 87 20.083 1.752 4.078 1555 3HG2 VAL 87 3HG2 VAL 87 20.750 3.400 4.166 1556 H GLU 88 H GLU 88 21.500 2.157 8.865 1557 HA GLU 88 HA GLU 88 22.822 -0.182 9.411 1558 1HB GLU 88 1HB GLU 88 22.923 2.181 10.539 1559 2HB GLU 88 2HB GLU 88 21.656 1.579 11.589 1560 1HG GLU 88 1HG GLU 88 23.199 0.494 12.841 1561 2HG GLU 88 2HG GLU 88 23.651 -0.477 11.454 1562 H PHE 89 H PHE 89 19.506 0.900 10.381 1563 HA PHE 89 HA PHE 89 19.000 -1.507 11.819 1564 1HB PHE 89 1HB PHE 89 17.919 1.119 11.448 1565 2HB PHE 89 2HB PHE 89 16.682 0.047 10.823 1566 HD1 PHE 89 HD1 PHE 89 14.999 -0.264 12.355 1567 HD2 PHE 89 HD2 PHE 89 19.002 -0.115 13.755 1568 HE1 PHE 89 HE1 PHE 89 14.197 -0.703 14.692 1569 HE2 PHE 89 HE2 PHE 89 18.200 -0.553 16.093 1570 HZ PHE 89 HZ PHE 89 15.808 -0.842 16.534 1571 H ALA 90 H ALA 90 18.179 -0.187 8.563 1572 HA ALA 90 HA ALA 90 16.401 -2.215 7.841 1573 1HB ALA 90 1HB ALA 90 17.893 -1.215 5.580 1574 2HB ALA 90 2HB ALA 90 16.222 -0.845 6.071 1575 3HB ALA 90 3HB ALA 90 17.573 0.119 6.714 1576 H THR 91 H THR 91 19.976 -1.951 7.748 1577 HA THR 91 HA THR 91 20.459 -4.177 6.126 1578 HB THR 91 HB THR 91 22.027 -2.741 8.323 1579 HG1 THR 91 HG1 THR 91 21.812 -1.504 6.429 1580 1HG2 THR 91 1HG2 THR 91 22.636 -5.271 6.967 1581 2HG2 THR 91 2HG2 THR 91 23.783 -4.001 6.479 1582 3HG2 THR 91 3HG2 THR 91 23.588 -4.410 8.200 1583 H ILE 92 H ILE 92 19.934 -3.890 9.675 1584 HA ILE 92 HA ILE 92 20.436 -6.672 10.073 1585 HB ILE 92 HB ILE 92 19.562 -4.355 11.735 1586 1HG1 ILE 92 1HG1 ILE 92 21.732 -6.431 12.142 1587 2HG1 ILE 92 2HG1 ILE 92 21.969 -4.920 11.287 1588 1HG2 ILE 92 1HG2 ILE 92 19.367 -5.994 13.678 1589 2HG2 ILE 92 2HG2 ILE 92 17.998 -5.916 12.543 1590 3HG2 ILE 92 3HG2 ILE 92 19.159 -7.261 12.446 1591 1HD1 ILE 92 1HD1 ILE 92 22.181 -3.775 13.230 1592 2HD1 ILE 92 2HD1 ILE 92 20.641 -4.425 13.840 1593 3HD1 ILE 92 3HD1 ILE 92 22.149 -5.339 14.079 1594 H PHE 93 H PHE 93 17.617 -4.578 9.437 1595 HA PHE 93 HA PHE 93 15.697 -6.544 10.101 1596 1HB PHE 93 1HB PHE 93 15.764 -3.836 9.581 1597 2HB PHE 93 2HB PHE 93 15.229 -4.403 8.011 1598 HD1 PHE 93 HD1 PHE 93 12.984 -3.895 7.818 1599 HD2 PHE 93 HD2 PHE 93 14.385 -5.576 11.454 1600 HE1 PHE 93 HE1 PHE 93 10.626 -4.023 8.668 1601 HE2 PHE 93 HE2 PHE 93 12.027 -5.704 12.304 1602 HZ PHE 93 HZ PHE 93 10.175 -4.925 10.901 1603 H LEU 94 H LEU 94 17.482 -5.640 7.126 1604 HA LEU 94 HA LEU 94 15.891 -7.021 5.309 1605 1HB LEU 94 1HB LEU 94 18.630 -5.909 5.400 1606 2HB LEU 94 2HB LEU 94 18.353 -7.160 4.204 1607 HG LEU 94 HG LEU 94 16.400 -4.896 4.362 1608 1HD1 LEU 94 1HD1 LEU 94 18.186 -3.473 4.315 1609 2HD1 LEU 94 2HD1 LEU 94 19.260 -4.658 3.535 1610 3HD1 LEU 94 3HD1 LEU 94 18.023 -3.812 2.575 1611 1HD2 LEU 94 1HD2 LEU 94 17.445 -6.743 2.221 1612 2HD2 LEU 94 2HD2 LEU 94 15.779 -6.533 2.810 1613 3HD2 LEU 94 3HD2 LEU 94 16.542 -5.260 1.827 1614 H GLY 95 H GLY 95 18.199 -8.115 7.740 1615 1HA GLY 95 1HA GLY 95 18.409 -10.768 6.547 1616 2HA GLY 95 2HA GLY 95 19.229 -10.168 7.975 1617 H SER 96 H SER 96 16.767 -9.017 9.215 1618 HA SER 96 HA SER 96 15.917 -11.421 10.452 1619 1HB SER 96 1HB SER 96 14.842 -8.592 10.829 1620 2HB SER 96 2HB SER 96 14.629 -9.937 11.931 1621 HG SER 96 HG SER 96 16.810 -8.225 11.610 1622 H LEU 97 H LEU 97 14.768 -9.269 7.899 1623 HA LEU 97 HA LEU 97 12.082 -10.347 8.021 1624 1HB LEU 97 1HB LEU 97 13.463 -8.162 6.519 1625 2HB LEU 97 2HB LEU 97 11.981 -8.834 5.871 1626 HG LEU 97 HG LEU 97 11.710 -6.760 7.253 1627 1HD1 LEU 97 1HD1 LEU 97 9.611 -7.362 7.822 1628 2HD1 LEU 97 2HD1 LEU 97 10.035 -8.850 6.941 1629 3HD1 LEU 97 3HD1 LEU 97 10.145 -8.806 8.717 1630 1HD2 LEU 97 1HD2 LEU 97 11.728 -7.050 9.737 1631 2HD2 LEU 97 2HD2 LEU 97 12.552 -8.610 9.497 1632 3HD2 LEU 97 3HD2 LEU 97 13.336 -7.099 8.975 1633 H ASP 98 H ASP 98 11.115 -11.592 6.325 1634 HA ASP 98 HA ASP 98 12.937 -13.444 5.233 1635 1HB ASP 98 1HB ASP 98 10.542 -13.903 5.999 1636 2HB ASP 98 2HB ASP 98 9.981 -13.055 4.571 1637 H LYS 99 H LYS 99 10.536 -11.070 3.846 1638 HA LYS 99 HA LYS 99 12.348 -10.584 1.638 1639 1HB LYS 99 1HB LYS 99 10.697 -11.041 -0.076 1640 2HB LYS 99 2HB LYS 99 11.004 -12.489 0.861 1641 1HG LYS 99 1HG LYS 99 8.922 -12.367 1.990 1642 2HG LYS 99 2HG LYS 99 8.734 -10.653 1.673 1643 1HD LYS 99 1HD LYS 99 8.522 -11.219 -0.811 1644 2HD LYS 99 2HD LYS 99 8.508 -12.914 -0.367 1645 1HE LYS 99 1HE LYS 99 6.594 -11.277 1.203 1646 2HE LYS 99 2HE LYS 99 6.263 -11.269 -0.518 1647 1HZ LYS 99 1HZ LYS 99 5.517 -13.201 1.137 1648 2HZ LYS 99 2HZ LYS 99 5.705 -13.408 -0.472 1649 3HZ LYS 99 3HZ LYS 99 6.899 -13.846 0.553 1650 H VAL 100 H VAL 100 11.718 -8.618 0.409 1651 HA VAL 100 HA VAL 100 9.660 -6.994 1.613 1652 HB VAL 100 HB VAL 100 11.342 -6.465 3.155 1653 1HG1 VAL 100 1HG1 VAL 100 13.176 -7.534 1.685 1654 2HG1 VAL 100 2HG1 VAL 100 13.375 -5.905 0.994 1655 3HG1 VAL 100 3HG1 VAL 100 13.631 -6.171 2.735 1656 1HG2 VAL 100 1HG2 VAL 100 11.939 -4.245 1.248 1657 2HG2 VAL 100 2HG2 VAL 100 10.234 -4.545 1.666 1658 3HG2 VAL 100 3HG2 VAL 100 11.416 -4.188 2.948 1659 H LEU 101 H LEU 101 8.861 -5.468 0.157 1660 HA LEU 101 HA LEU 101 10.352 -5.212 -2.351 1661 1HB LEU 101 1HB LEU 101 8.195 -6.842 -2.131 1662 2HB LEU 101 2HB LEU 101 7.409 -5.333 -2.554 1663 HG LEU 101 HG LEU 101 7.934 -6.820 -4.489 1664 1HD1 LEU 101 1HD1 LEU 101 7.876 -4.987 -5.738 1665 2HD1 LEU 101 2HD1 LEU 101 8.172 -4.036 -4.262 1666 3HD1 LEU 101 3HD1 LEU 101 9.539 -4.550 -5.278 1667 1HD2 LEU 101 1HD2 LEU 101 10.732 -6.076 -4.719 1668 2HD2 LEU 101 2HD2 LEU 101 10.428 -7.066 -3.272 1669 3HD2 LEU 101 3HD2 LEU 101 9.952 -7.668 -4.878 1670 H VAL 102 H VAL 102 10.598 -3.127 -2.997 1671 HA VAL 102 HA VAL 102 9.125 -1.132 -1.450 1672 HB VAL 102 HB VAL 102 11.655 -1.026 -3.098 1673 1HG1 VAL 102 1HG1 VAL 102 11.000 1.125 -3.455 1674 2HG1 VAL 102 2HG1 VAL 102 9.910 1.146 -2.048 1675 3HG1 VAL 102 3HG1 VAL 102 11.664 1.340 -1.817 1676 1HG2 VAL 102 1HG2 VAL 102 11.382 -0.415 -0.156 1677 2HG2 VAL 102 2HG2 VAL 102 11.586 -2.086 -0.735 1678 3HG2 VAL 102 3HG2 VAL 102 12.833 -0.865 -1.084 1679 H ILE 103 H ILE 103 7.618 0.195 -2.378 1680 HA ILE 103 HA ILE 103 7.568 0.385 -5.277 1681 HB ILE 103 HB ILE 103 5.223 -0.605 -3.650 1682 1HG1 ILE 103 1HG1 ILE 103 6.972 -2.312 -4.070 1683 2HG1 ILE 103 2HG1 ILE 103 5.441 -2.678 -4.840 1684 1HG2 ILE 103 1HG2 ILE 103 5.476 0.337 -6.498 1685 2HG2 ILE 103 2HG2 ILE 103 4.244 -0.859 -6.027 1686 3HG2 ILE 103 3HG2 ILE 103 4.254 0.753 -5.271 1687 1HD1 ILE 103 1HD1 ILE 103 7.169 -1.064 -6.589 1688 2HD1 ILE 103 2HD1 ILE 103 7.942 -2.591 -6.100 1689 3HD1 ILE 103 3HD1 ILE 103 6.360 -2.616 -6.917 1690 H ASP 104 H ASP 104 6.416 2.266 -6.036 1691 HA ASP 104 HA ASP 104 6.030 4.177 -3.870 1692 1HB ASP 104 1HB ASP 104 7.437 4.291 -6.429 1693 2HB ASP 104 2HB ASP 104 6.204 5.535 -6.373 1694 H TYR 105 H TYR 105 3.995 5.230 -3.767 1695 HA TYR 105 HA TYR 105 2.123 4.599 -5.950 1696 1HB TYR 105 1HB TYR 105 1.924 3.552 -3.525 1697 2HB TYR 105 2HB TYR 105 1.544 5.176 -2.987 1698 HD1 TYR 105 HD1 TYR 105 0.381 2.386 -5.142 1699 HD2 TYR 105 HD2 TYR 105 -0.635 6.111 -3.300 1700 HE1 TYR 105 HE1 TYR 105 -2.066 2.011 -5.719 1701 HE2 TYR 105 HE2 TYR 105 -3.079 5.724 -3.883 1702 HH TYR 105 HH TYR 105 -4.047 3.267 -6.053 1703 H LYS 106 H LYS 106 1.506 6.363 -7.086 1704 HA LYS 106 HA LYS 106 1.509 8.922 -5.639 1705 1HB LYS 106 1HB LYS 106 3.066 8.233 -7.817 1706 2HB LYS 106 2HB LYS 106 1.714 9.055 -8.567 1707 1HG LYS 106 1HG LYS 106 2.158 11.086 -7.487 1708 2HG LYS 106 2HG LYS 106 2.912 10.316 -6.106 1709 1HD LYS 106 1HD LYS 106 4.879 10.959 -7.076 1710 2HD LYS 106 2HD LYS 106 4.649 9.562 -8.108 1711 1HE LYS 106 1HE LYS 106 3.285 12.131 -8.909 1712 2HE LYS 106 2HE LYS 106 5.022 12.033 -9.122 1713 1HZ LYS 106 1HZ LYS 106 4.786 10.220 -10.536 1714 2HZ LYS 106 2HZ LYS 106 3.241 9.924 -10.099 1715 3HZ LYS 106 3HZ LYS 106 3.596 11.237 -11.003 1716 HA PRO 107 HA PRO 107 -2.707 9.053 -6.579 1717 1HB PRO 107 1HB PRO 107 -3.221 11.697 -6.119 1718 2HB PRO 107 2HB PRO 107 -3.114 10.505 -4.839 1719 1HG PRO 107 1HG PRO 107 -1.152 12.577 -5.611 1720 2HG PRO 107 2HG PRO 107 -1.266 11.678 -4.111 1721 1HD PRO 107 1HD PRO 107 0.602 11.232 -6.241 1722 2HD PRO 107 2HD PRO 107 0.411 10.262 -4.794 1723 H THR 108 H THR 108 -2.950 8.438 -8.689 1724 HA THR 108 HA THR 108 -2.981 10.748 -10.515 1725 HB THR 108 HB THR 108 -1.808 7.951 -10.847 1726 HG1 THR 108 HG1 THR 108 -0.415 9.679 -10.129 1727 1HG2 THR 108 1HG2 THR 108 -2.176 8.004 -13.100 1728 2HG2 THR 108 2HG2 THR 108 -3.254 9.399 -12.857 1729 3HG2 THR 108 3HG2 THR 108 -1.524 9.658 -13.185 1730 H SER 109 H SER 109 -5.267 10.830 -9.708 1731 HA SER 109 HA SER 109 -6.909 8.656 -10.547 1732 1HB SER 109 1HB SER 109 -8.756 10.401 -9.874 1733 2HB SER 109 2HB SER 109 -7.763 9.676 -8.625 1734 HG SER 109 HG SER 109 -7.128 12.204 -9.883 1735 H VAL 110 H VAL 110 -8.816 9.024 -12.057 1736 HA VAL 110 HA VAL 110 -7.926 10.698 -14.285 1737 HB VAL 110 HB VAL 110 -9.774 8.319 -14.082 1738 1HG1 VAL 110 1HG1 VAL 110 -10.825 9.611 -15.732 1739 2HG1 VAL 110 2HG1 VAL 110 -9.281 10.223 -16.372 1740 3HG1 VAL 110 3HG1 VAL 110 -9.754 8.531 -16.657 1741 1HG2 VAL 110 1HG2 VAL 110 -8.116 7.212 -15.492 1742 2HG2 VAL 110 2HG2 VAL 110 -7.142 8.700 -15.550 1743 3HG2 VAL 110 3HG2 VAL 110 -7.353 7.833 -14.009 1744 H SER 111 H SER 111 -9.228 12.324 -15.147 1745 HA SER 111 HA SER 111 -11.112 13.388 -13.346 1746 1HB SER 111 1HB SER 111 -11.432 14.733 -15.794 1747 2HB SER 111 2HB SER 111 -10.406 15.222 -14.460 1748 HG SER 111 HG SER 111 -9.721 13.957 -16.907 1749 H LEU 112 H LEU 112 -13.362 13.256 -13.365 1750 HA LEU 112 HA LEU 112 -14.575 11.967 -15.700 1751 1HB LEU 112 1HB LEU 112 -16.032 10.693 -14.162 1752 2HB LEU 112 2HB LEU 112 -14.348 10.206 -14.144 1753 HG LEU 112 HG LEU 112 -14.280 11.912 -12.075 1754 1HD1 LEU 112 1HD1 LEU 112 -16.474 12.681 -11.978 1755 2HD1 LEU 112 2HD1 LEU 112 -17.161 11.077 -12.329 1756 3HD1 LEU 112 3HD1 LEU 112 -16.429 11.404 -10.739 1757 1HD2 LEU 112 1HD2 LEU 112 -13.465 9.845 -11.582 1758 2HD2 LEU 112 2HD2 LEU 112 -15.001 9.760 -10.687 1759 3HD2 LEU 112 3HD2 LEU 112 -14.861 8.996 -12.288 Start of MODEL 7 1 1H GLY 1 1H GLY 1 -10.536 21.792 -3.666 2 1HA GLY 1 1HA GLY 1 -9.514 21.523 -1.644 3 2HA GLY 1 2HA GLY 1 -8.999 19.911 -2.100 4 H SER 2 H SER 2 -7.404 22.062 -0.818 5 HA SER 2 HA SER 2 -5.182 21.875 -2.584 6 1HB SER 2 1HB SER 2 -6.276 23.913 -3.468 7 2HB SER 2 2HB SER 2 -6.307 24.618 -1.864 8 HG SER 2 HG SER 2 -4.257 25.214 -2.064 9 H HIS 3 H HIS 3 -6.229 24.092 0.114 10 HA HIS 3 HA HIS 3 -3.827 23.373 1.545 11 1HB HIS 3 1HB HIS 3 -5.017 25.736 1.233 12 2HB HIS 3 2HB HIS 3 -5.899 25.221 2.658 13 HD1 HIS 3 HD1 HIS 3 -3.787 23.930 4.396 14 HD2 HIS 3 HD2 HIS 3 -3.058 27.395 2.148 15 HE1 HIS 3 HE1 HIS 3 -1.812 25.101 5.509 16 HE2 HIS 3 HE2 HIS 3 -1.376 27.195 4.051 17 H MET 4 H MET 4 -7.368 23.597 2.366 18 HA MET 4 HA MET 4 -7.402 22.376 4.700 19 1HB MET 4 1HB MET 4 -9.305 23.111 2.931 20 2HB MET 4 2HB MET 4 -9.369 21.391 2.605 21 1HG MET 4 1HG MET 4 -9.746 20.955 5.055 22 2HG MET 4 2HG MET 4 -9.719 22.681 5.356 23 1HE MET 4 1HE MET 4 -12.064 19.717 4.626 24 2HE MET 4 2HE MET 4 -11.889 20.662 6.123 25 3HE MET 4 3HE MET 4 -13.410 20.730 5.201 26 H GLU 5 H GLU 5 -6.427 20.563 5.486 27 HA GLU 5 HA GLU 5 -5.574 18.536 3.733 28 1HB GLU 5 1HB GLU 5 -5.464 19.062 6.684 29 2HB GLU 5 2HB GLU 5 -5.244 17.400 6.172 30 1HG GLU 5 1HG GLU 5 -3.454 18.180 4.559 31 2HG GLU 5 2HG GLU 5 -3.632 19.804 5.193 32 H GLU 6 H GLU 6 -7.163 17.348 2.699 33 HA GLU 6 HA GLU 6 -9.476 16.566 4.196 34 1HB GLU 6 1HB GLU 6 -8.597 16.284 1.309 35 2HB GLU 6 2HB GLU 6 -9.972 15.375 1.904 36 1HG GLU 6 1HG GLU 6 -9.860 18.333 2.501 37 2HG GLU 6 2HG GLU 6 -10.262 17.836 0.869 38 H ALA 7 H ALA 7 -9.505 14.760 5.456 39 HA ALA 7 HA ALA 7 -7.423 12.951 5.589 40 1HB ALA 7 1HB ALA 7 -10.055 11.865 6.329 41 2HB ALA 7 2HB ALA 7 -8.627 12.186 7.342 42 3HB ALA 7 3HB ALA 7 -9.768 13.501 6.971 43 H LYS 8 H LYS 8 -7.073 10.855 4.749 44 HA LYS 8 HA LYS 8 -8.525 10.378 2.267 45 1HB LYS 8 1HB LYS 8 -5.802 9.767 3.296 46 2HB LYS 8 2HB LYS 8 -6.519 8.571 2.236 47 1HG LYS 8 1HG LYS 8 -6.567 11.519 1.496 48 2HG LYS 8 2HG LYS 8 -5.149 10.542 1.171 49 1HD LYS 8 1HD LYS 8 -6.130 9.602 -0.647 50 2HD LYS 8 2HD LYS 8 -7.517 9.098 0.298 51 1HE LYS 8 1HE LYS 8 -7.408 12.020 -0.320 52 2HE LYS 8 2HE LYS 8 -7.620 10.976 -1.712 53 1HZ LYS 8 1HZ LYS 8 -9.367 11.327 0.578 54 2HZ LYS 8 2HZ LYS 8 -9.744 11.241 -1.008 55 3HZ LYS 8 3HZ LYS 8 -9.375 9.882 -0.181 56 H GLY 9 H GLY 9 -9.950 9.953 4.720 57 1HA GLY 9 1HA GLY 9 -9.872 7.075 5.192 58 2HA GLY 9 2HA GLY 9 -10.810 8.277 6.056 59 HA PRO 10 HA PRO 10 -12.044 6.990 6.713 60 1HB PRO 10 1HB PRO 10 -13.666 4.822 7.085 61 2HB PRO 10 2HB PRO 10 -14.227 6.476 7.237 62 1HG PRO 10 1HG PRO 10 -14.699 4.553 5.041 63 2HG PRO 10 2HG PRO 10 -15.573 6.024 5.419 64 1HD PRO 10 1HD PRO 10 -13.647 5.663 3.324 65 2HD PRO 10 2HD PRO 10 -14.435 7.161 3.776 66 H VAL 11 H VAL 11 -12.465 4.006 4.854 67 HA VAL 11 HA VAL 11 -9.844 3.211 5.922 68 HB VAL 11 HB VAL 11 -12.354 1.655 5.336 69 1HG1 VAL 11 1HG1 VAL 11 -10.755 -0.330 6.073 70 2HG1 VAL 11 2HG1 VAL 11 -10.898 0.163 4.368 71 3HG1 VAL 11 3HG1 VAL 11 -9.511 0.712 5.340 72 1HG2 VAL 11 1HG2 VAL 11 -11.651 2.796 7.628 73 2HG2 VAL 11 2HG2 VAL 11 -12.429 1.195 7.584 74 3HG2 VAL 11 3HG2 VAL 11 -10.665 1.322 7.786 75 H LYS 12 H LYS 12 -8.303 2.386 4.479 76 HA LYS 12 HA LYS 12 -9.081 2.602 1.653 77 1HB LYS 12 1HB LYS 12 -6.946 3.884 3.155 78 2HB LYS 12 2HB LYS 12 -6.302 2.939 1.829 79 1HG LYS 12 1HG LYS 12 -8.369 4.110 0.516 80 2HG LYS 12 2HG LYS 12 -8.124 5.329 1.751 81 1HD LYS 12 1HD LYS 12 -5.512 4.777 0.936 82 2HD LYS 12 2HD LYS 12 -6.410 4.620 -0.560 83 1HE LYS 12 1HE LYS 12 -7.016 6.864 -0.606 84 2HE LYS 12 2HE LYS 12 -7.095 6.995 1.140 85 1HZ LYS 12 1HZ LYS 12 -5.213 8.170 0.303 86 2HZ LYS 12 2HZ LYS 12 -4.677 6.897 1.173 87 3HZ LYS 12 3HZ LYS 12 -4.634 6.846 -0.458 88 H HIS 13 H HIS 13 -8.855 0.792 0.435 89 HA HIS 13 HA HIS 13 -7.540 -1.457 1.749 90 1HB HIS 13 1HB HIS 13 -9.914 -1.708 1.111 91 2HB HIS 13 2HB HIS 13 -9.499 -1.405 -0.564 92 HD1 HIS 13 HD1 HIS 13 -9.713 -4.090 1.950 93 HD2 HIS 13 HD2 HIS 13 -7.809 -3.500 -1.741 94 HE1 HIS 13 HE1 HIS 13 -9.013 -6.402 1.129 95 HE2 HIS 13 HE2 HIS 13 -7.897 -5.981 -1.168 96 H VAL 14 H VAL 14 -5.510 -1.971 1.120 97 HA VAL 14 HA VAL 14 -4.618 -0.943 -1.466 98 HB VAL 14 HB VAL 14 -2.967 -2.130 0.765 99 1HG1 VAL 14 1HG1 VAL 14 -1.277 -1.839 -0.658 100 2HG1 VAL 14 2HG1 VAL 14 -2.383 -1.157 -1.875 101 3HG1 VAL 14 3HG1 VAL 14 -1.612 -0.091 -0.676 102 1HG2 VAL 14 1HG2 VAL 14 -4.367 -0.196 1.557 103 2HG2 VAL 14 2HG2 VAL 14 -2.609 0.069 1.657 104 3HG2 VAL 14 3HG2 VAL 14 -3.549 0.818 0.344 105 H LEU 15 H LEU 15 -4.570 -2.292 -3.182 106 HA LEU 15 HA LEU 15 -4.028 -5.115 -2.644 107 1HB LEU 15 1HB LEU 15 -5.942 -5.872 -3.468 108 2HB LEU 15 2HB LEU 15 -6.556 -4.271 -3.108 109 HG LEU 15 HG LEU 15 -5.647 -3.789 -5.585 110 1HD1 LEU 15 1HD1 LEU 15 -5.168 -5.563 -6.825 111 2HD1 LEU 15 2HD1 LEU 15 -5.325 -6.584 -5.375 112 3HD1 LEU 15 3HD1 LEU 15 -6.733 -6.314 -6.430 113 1HD2 LEU 15 1HD2 LEU 15 -8.267 -4.781 -4.549 114 2HD2 LEU 15 2HD2 LEU 15 -7.829 -3.204 -5.247 115 3HD2 LEU 15 3HD2 LEU 15 -8.056 -4.614 -6.309 116 H LEU 16 H LEU 16 -2.722 -6.117 -4.182 117 HA LEU 16 HA LEU 16 -1.818 -4.333 -6.336 118 1HB LEU 16 1HB LEU 16 0.261 -4.569 -5.660 119 2HB LEU 16 2HB LEU 16 -0.351 -5.332 -4.206 120 HG LEU 16 HG LEU 16 1.395 -6.689 -5.152 121 1HD1 LEU 16 1HD1 LEU 16 0.308 -8.492 -4.461 122 2HD1 LEU 16 2HD1 LEU 16 -1.233 -7.618 -4.630 123 3HD1 LEU 16 3HD1 LEU 16 -0.595 -8.568 -5.993 124 1HD2 LEU 16 1HD2 LEU 16 -0.008 -7.461 -7.622 125 2HD2 LEU 16 2HD2 LEU 16 0.584 -5.783 -7.595 126 3HD2 LEU 16 3HD2 LEU 16 1.715 -7.130 -7.326 127 H ALA 17 H ALA 17 -1.442 -5.269 -8.402 128 HA ALA 17 HA ALA 17 -2.262 -8.060 -8.679 129 1HB ALA 17 1HB ALA 17 -3.545 -7.130 -10.795 130 2HB ALA 17 2HB ALA 17 -4.320 -7.108 -9.193 131 3HB ALA 17 3HB ALA 17 -3.590 -5.623 -9.849 132 H SER 18 H SER 18 -1.303 -9.119 -10.482 133 HA SER 18 HA SER 18 0.724 -7.482 -11.797 134 1HB SER 18 1HB SER 18 0.863 -10.351 -10.795 135 2HB SER 18 2HB SER 18 2.002 -9.730 -11.973 136 HG SER 18 HG SER 18 1.545 -8.295 -9.524 137 H PHE 19 H PHE 19 0.843 -7.632 -14.056 138 HA PHE 19 HA PHE 19 -1.295 -9.168 -15.285 139 1HB PHE 19 1HB PHE 19 0.714 -7.029 -16.204 140 2HB PHE 19 2HB PHE 19 -0.451 -7.749 -17.297 141 HD1 PHE 19 HD1 PHE 19 -0.383 -6.050 -13.968 142 HD2 PHE 19 HD2 PHE 19 -2.429 -6.621 -17.642 143 HE1 PHE 19 HE1 PHE 19 -2.083 -4.333 -13.288 144 HE2 PHE 19 HE2 PHE 19 -4.128 -4.903 -16.962 145 HZ PHE 19 HZ PHE 19 -3.935 -3.780 -14.794 146 H LYS 20 H LYS 20 -0.873 -11.191 -16.024 147 HA LYS 20 HA LYS 20 1.560 -12.391 -16.095 148 1HB LYS 20 1HB LYS 20 -1.074 -12.880 -17.399 149 2HB LYS 20 2HB LYS 20 0.298 -13.765 -18.035 150 1HG LYS 20 1HG LYS 20 0.573 -13.908 -15.209 151 2HG LYS 20 2HG LYS 20 -1.136 -14.150 -15.513 152 1HD LYS 20 1HD LYS 20 1.101 -15.688 -16.915 153 2HD LYS 20 2HD LYS 20 0.194 -16.291 -15.543 154 1HE LYS 20 1HE LYS 20 -1.939 -15.865 -16.976 155 2HE LYS 20 2HE LYS 20 -0.851 -15.675 -18.337 156 1HZ LYS 20 1HZ LYS 20 -1.725 -18.032 -17.165 157 2HZ LYS 20 2HZ LYS 20 -0.756 -17.853 -18.468 158 3HZ LYS 20 3HZ LYS 20 -0.104 -17.963 -16.975 159 H ASP 21 H ASP 21 2.698 -13.267 -18.174 160 HA ASP 21 HA ASP 21 3.487 -10.920 -19.600 161 1HB ASP 21 1HB ASP 21 5.219 -12.463 -18.837 162 2HB ASP 21 2HB ASP 21 4.431 -13.820 -19.618 163 H GLY 22 H GLY 22 2.750 -10.418 -21.681 164 1HA GLY 22 1HA GLY 22 2.269 -11.078 -23.904 165 2HA GLY 22 2HA GLY 22 1.625 -12.598 -23.315 166 H VAL 23 H VAL 23 0.924 -9.511 -21.672 167 HA VAL 23 HA VAL 23 -1.880 -9.887 -22.390 168 HB VAL 23 HB VAL 23 -0.570 -8.159 -20.281 169 1HG1 VAL 23 1HG1 VAL 23 -2.661 -7.539 -19.530 170 2HG1 VAL 23 2HG1 VAL 23 -2.949 -7.613 -21.285 171 3HG1 VAL 23 3HG1 VAL 23 -3.461 -8.960 -20.242 172 1HG2 VAL 23 1HG2 VAL 23 -0.339 -10.690 -20.033 173 2HG2 VAL 23 2HG2 VAL 23 -1.097 -9.820 -18.678 174 3HG2 VAL 23 3HG2 VAL 23 -2.107 -10.727 -19.829 175 H SER 24 H SER 24 -3.041 -8.395 -23.582 176 HA SER 24 HA SER 24 -1.509 -6.633 -25.147 177 1HB SER 24 1HB SER 24 -4.516 -7.020 -24.837 178 2HB SER 24 2HB SER 24 -3.810 -5.928 -26.012 179 HG SER 24 HG SER 24 -3.877 -8.758 -25.981 180 HA PRO 25 HA PRO 25 -1.886 -3.038 -22.723 181 1HB PRO 25 1HB PRO 25 -1.503 -1.084 -24.595 182 2HB PRO 25 2HB PRO 25 -0.189 -1.990 -23.872 183 1HG PRO 25 1HG PRO 25 -1.349 -2.248 -26.578 184 2HG PRO 25 2HG PRO 25 0.198 -2.821 -25.988 185 1HD PRO 25 1HD PRO 25 -2.153 -4.398 -26.450 186 2HD PRO 25 2HD PRO 25 -0.642 -4.948 -25.751 187 H GLU 26 H GLU 26 -3.835 -3.141 -25.624 188 HA GLU 26 HA GLU 26 -5.503 -1.064 -24.971 189 1HB GLU 26 1HB GLU 26 -5.754 -3.543 -26.665 190 2HB GLU 26 2HB GLU 26 -7.202 -2.603 -26.362 191 1HG GLU 26 1HG GLU 26 -6.233 -0.611 -27.341 192 2HG GLU 26 2HG GLU 26 -4.628 -1.313 -27.359 193 H LYS 27 H LYS 27 -5.314 -4.372 -23.718 194 HA LYS 27 HA LYS 27 -7.926 -4.338 -22.567 195 1HB LYS 27 1HB LYS 27 -5.959 -6.260 -23.125 196 2HB LYS 27 2HB LYS 27 -6.064 -6.227 -21.376 197 1HG LYS 27 1HG LYS 27 -8.748 -6.108 -22.133 198 2HG LYS 27 2HG LYS 27 -8.060 -7.147 -23.365 199 1HD LYS 27 1HD LYS 27 -7.466 -8.815 -21.841 200 2HD LYS 27 2HD LYS 27 -7.251 -7.687 -20.517 201 1HE LYS 27 1HE LYS 27 -9.540 -7.625 -20.002 202 2HE LYS 27 2HE LYS 27 -10.032 -8.008 -21.640 203 1HZ LYS 27 1HZ LYS 27 -10.185 -10.089 -20.990 204 2HZ LYS 27 2HZ LYS 27 -8.572 -10.153 -20.742 205 3HZ LYS 27 3HZ LYS 27 -9.572 -9.758 -19.513 206 H ILE 28 H ILE 28 -4.624 -3.404 -21.601 207 HA ILE 28 HA ILE 28 -5.100 -3.250 -18.851 208 HB ILE 28 HB ILE 28 -3.154 -1.819 -20.658 209 1HG1 ILE 28 1HG1 ILE 28 -2.636 -4.122 -18.768 210 2HG1 ILE 28 2HG1 ILE 28 -3.105 -4.367 -20.438 211 1HG2 ILE 28 1HG2 ILE 28 -3.631 -1.594 -17.732 212 2HG2 ILE 28 2HG2 ILE 28 -1.941 -1.707 -18.277 213 3HG2 ILE 28 3HG2 ILE 28 -2.989 -0.407 -18.892 214 1HD1 ILE 28 1HD1 ILE 28 -1.097 -2.514 -20.756 215 2HD1 ILE 28 2HD1 ILE 28 -0.527 -3.395 -19.318 216 3HD1 ILE 28 3HD1 ILE 28 -0.851 -4.275 -20.831 217 H GLU 29 H GLU 29 -5.355 -0.775 -21.486 218 HA GLU 29 HA GLU 29 -6.170 1.250 -19.760 219 1HB GLU 29 1HB GLU 29 -6.921 2.387 -21.879 220 2HB GLU 29 2HB GLU 29 -5.275 1.791 -21.945 221 1HG GLU 29 1HG GLU 29 -5.941 -0.156 -23.248 222 2HG GLU 29 2HG GLU 29 -7.642 0.174 -22.986 223 H GLU 30 H GLU 30 -7.924 -1.295 -21.571 224 HA GLU 30 HA GLU 30 -10.457 -0.243 -21.310 225 1HB GLU 30 1HB GLU 30 -9.233 -2.814 -22.021 226 2HB GLU 30 2HB GLU 30 -10.753 -3.042 -21.179 227 1HG GLU 30 1HG GLU 30 -11.065 -0.876 -23.085 228 2HG GLU 30 2HG GLU 30 -10.350 -2.248 -23.908 229 H LEU 31 H LEU 31 -8.517 -2.354 -19.118 230 HA LEU 31 HA LEU 31 -10.609 -2.716 -17.253 231 1HB LEU 31 1HB LEU 31 -7.659 -3.200 -17.315 232 2HB LEU 31 2HB LEU 31 -8.506 -3.280 -15.784 233 HG LEU 31 HG LEU 31 -10.031 -4.825 -17.601 234 1HD1 LEU 31 1HD1 LEU 31 -7.974 -6.525 -17.966 235 2HD1 LEU 31 2HD1 LEU 31 -8.507 -5.342 -19.185 236 3HD1 LEU 31 3HD1 LEU 31 -7.119 -4.973 -18.135 237 1HD2 LEU 31 1HD2 LEU 31 -9.935 -5.285 -15.256 238 2HD2 LEU 31 2HD2 LEU 31 -9.292 -6.702 -16.121 239 3HD2 LEU 31 3HD2 LEU 31 -8.179 -5.565 -15.323 240 H ILE 32 H ILE 32 -8.071 -0.261 -17.769 241 HA ILE 32 HA ILE 32 -8.420 0.954 -15.228 242 HB ILE 32 HB ILE 32 -7.092 1.771 -17.801 243 1HG1 ILE 32 1HG1 ILE 32 -5.843 1.248 -15.100 244 2HG1 ILE 32 2HG1 ILE 32 -6.159 -0.045 -16.239 245 1HG2 ILE 32 1HG2 ILE 32 -7.261 3.360 -15.226 246 2HG2 ILE 32 2HG2 ILE 32 -6.160 3.707 -16.581 247 3HG2 ILE 32 3HG2 ILE 32 -7.921 3.818 -16.814 248 1HD1 ILE 32 1HD1 ILE 32 -4.070 2.034 -16.301 249 2HD1 ILE 32 2HD1 ILE 32 -4.131 0.464 -17.136 250 3HD1 ILE 32 3HD1 ILE 32 -4.939 1.882 -17.847 251 H LYS 33 H LYS 33 -9.529 1.766 -18.588 252 HA LYS 33 HA LYS 33 -11.015 3.995 -17.829 253 1HB LYS 33 1HB LYS 33 -11.584 4.110 -20.022 254 2HB LYS 33 2HB LYS 33 -10.252 2.982 -20.174 255 1HG LYS 33 1HG LYS 33 -11.867 1.067 -20.051 256 2HG LYS 33 2HG LYS 33 -13.196 2.201 -19.914 257 1HD LYS 33 1HD LYS 33 -12.683 3.142 -22.140 258 2HD LYS 33 2HD LYS 33 -11.253 2.137 -22.271 259 1HE LYS 33 1HE LYS 33 -12.957 1.007 -23.534 260 2HE LYS 33 2HE LYS 33 -12.786 0.091 -22.049 261 1HZ LYS 33 1HZ LYS 33 -15.083 0.545 -22.589 262 2HZ LYS 33 2HZ LYS 33 -14.683 1.241 -21.167 263 3HZ LYS 33 3HZ LYS 33 -14.826 2.156 -22.513 264 H GLY 34 H GLY 34 -11.728 0.496 -17.794 265 1HA GLY 34 1HA GLY 34 -14.507 0.639 -17.482 266 2HA GLY 34 2HA GLY 34 -13.460 -0.667 -16.963 267 H TYR 35 H TYR 35 -11.834 0.461 -15.019 268 HA TYR 35 HA TYR 35 -13.207 0.288 -12.733 269 1HB TYR 35 1HB TYR 35 -10.685 1.284 -13.744 270 2HB TYR 35 2HB TYR 35 -11.268 2.507 -12.633 271 HD1 TYR 35 HD1 TYR 35 -12.196 1.485 -10.308 272 HD2 TYR 35 HD2 TYR 35 -9.336 -0.392 -12.878 273 HE1 TYR 35 HE1 TYR 35 -11.328 0.113 -8.352 274 HE2 TYR 35 HE2 TYR 35 -8.478 -1.757 -10.913 275 HH TYR 35 HH TYR 35 -10.022 -2.376 -8.339 276 H ALA 36 H ALA 36 -12.962 3.202 -14.821 277 HA ALA 36 HA ALA 36 -14.150 4.954 -12.956 278 1HB ALA 36 1HB ALA 36 -12.929 6.013 -14.635 279 2HB ALA 36 2HB ALA 36 -13.563 4.950 -15.913 280 3HB ALA 36 3HB ALA 36 -14.595 6.227 -15.224 281 H ASN 37 H ASN 37 -15.418 2.996 -15.726 282 HA ASN 37 HA ASN 37 -18.026 3.928 -15.447 283 1HB ASN 37 1HB ASN 37 -16.584 1.842 -16.968 284 2HB ASN 37 2HB ASN 37 -18.198 1.321 -16.527 285 1HD2 ASN 37 1HD2 ASN 37 -19.485 1.582 -18.180 286 2HD2 ASN 37 2HD2 ASN 37 -19.621 2.979 -19.195 287 H LEU 38 H LEU 38 -16.056 1.491 -13.806 288 HA LEU 38 HA LEU 38 -17.994 -0.248 -12.887 289 1HB LEU 38 1HB LEU 38 -15.240 0.290 -12.462 290 2HB LEU 38 2HB LEU 38 -15.995 0.179 -10.885 291 HG LEU 38 HG LEU 38 -15.945 -1.921 -13.061 292 1HD1 LEU 38 1HD1 LEU 38 -15.151 -2.894 -10.510 293 2HD1 LEU 38 2HD1 LEU 38 -14.170 -2.693 -11.982 294 3HD1 LEU 38 3HD1 LEU 38 -14.288 -1.365 -10.803 295 1HD2 LEU 38 1HD2 LEU 38 -18.066 -2.329 -12.326 296 2HD2 LEU 38 2HD2 LEU 38 -17.151 -3.258 -11.115 297 3HD2 LEU 38 3HD2 LEU 38 -17.767 -1.638 -10.713 298 H VAL 39 H VAL 39 -17.215 3.077 -11.944 299 HA VAL 39 HA VAL 39 -18.505 3.006 -9.439 300 HB VAL 39 HB VAL 39 -16.838 4.693 -10.625 301 1HG1 VAL 39 1HG1 VAL 39 -18.457 5.403 -12.344 302 2HG1 VAL 39 2HG1 VAL 39 -19.541 6.006 -11.067 303 3HG1 VAL 39 3HG1 VAL 39 -17.948 6.761 -11.312 304 1HG2 VAL 39 1HG2 VAL 39 -18.743 4.941 -8.375 305 2HG2 VAL 39 2HG2 VAL 39 -16.978 5.165 -8.420 306 3HG2 VAL 39 3HG2 VAL 39 -18.055 6.475 -8.960 307 H ASN 40 H ASN 40 -19.577 3.557 -12.809 308 HA ASN 40 HA ASN 40 -22.155 4.400 -11.961 309 1HB ASN 40 1HB ASN 40 -21.133 5.168 -14.117 310 2HB ASN 40 2HB ASN 40 -21.114 3.517 -14.706 311 1HD2 ASN 40 1HD2 ASN 40 -22.394 4.096 -16.460 312 2HD2 ASN 40 2HD2 ASN 40 -24.100 4.364 -16.332 313 H LEU 41 H LEU 41 -20.509 1.438 -12.069 314 HA LEU 41 HA LEU 41 -22.682 -0.176 -13.041 315 1HB LEU 41 1HB LEU 41 -19.865 -0.526 -12.299 316 2HB LEU 41 2HB LEU 41 -20.892 -1.867 -11.829 317 HG LEU 41 HG LEU 41 -19.844 -2.213 -14.021 318 1HD1 LEU 41 1HD1 LEU 41 -21.612 -3.507 -14.363 319 2HD1 LEU 41 2HD1 LEU 41 -22.657 -2.407 -13.431 320 3HD1 LEU 41 3HD1 LEU 41 -22.413 -2.139 -15.174 321 1HD2 LEU 41 1HD2 LEU 41 -20.863 0.490 -14.509 322 2HD2 LEU 41 2HD2 LEU 41 -19.539 -0.404 -15.294 323 3HD2 LEU 41 3HD2 LEU 41 -21.220 -0.654 -15.825 324 H ILE 42 H ILE 42 -21.070 0.521 -9.873 325 HA ILE 42 HA ILE 42 -23.125 -0.978 -8.505 326 HB ILE 42 HB ILE 42 -20.853 0.650 -7.367 327 1HG1 ILE 42 1HG1 ILE 42 -20.496 -2.252 -7.433 328 2HG1 ILE 42 2HG1 ILE 42 -20.598 -1.559 -9.039 329 1HG2 ILE 42 1HG2 ILE 42 -21.287 -0.296 -5.334 330 2HG2 ILE 42 2HG2 ILE 42 -22.940 -0.218 -5.990 331 3HG2 ILE 42 3HG2 ILE 42 -22.035 -1.750 -6.038 332 1HD1 ILE 42 1HD1 ILE 42 -18.943 0.274 -7.995 333 2HD1 ILE 42 2HD1 ILE 42 -18.566 -1.058 -6.877 334 3HD1 ILE 42 3HD1 ILE 42 -18.328 -1.271 -8.628 335 H GLU 43 H GLU 43 -21.816 2.205 -7.481 336 HA GLU 43 HA GLU 43 -23.728 3.883 -8.228 337 1HB GLU 43 1HB GLU 43 -24.901 1.946 -6.410 338 2HB GLU 43 2HB GLU 43 -24.954 3.534 -5.672 339 1HG GLU 43 1HG GLU 43 -26.456 4.352 -7.211 340 2HG GLU 43 2HG GLU 43 -25.697 3.518 -8.553 341 HA PRO 44 HA PRO 44 -21.805 5.324 -4.151 342 1HB PRO 44 1HB PRO 44 -20.649 3.534 -2.440 343 2HB PRO 44 2HB PRO 44 -22.304 4.085 -2.275 344 1HG PRO 44 1HG PRO 44 -21.306 1.484 -3.264 345 2HG PRO 44 2HG PRO 44 -22.911 1.901 -2.696 346 1HD PRO 44 1HD PRO 44 -22.088 1.567 -5.424 347 2HD PRO 44 2HD PRO 44 -23.661 2.096 -4.861 348 H MET 45 H MET 45 -19.524 2.737 -3.803 349 HA MET 45 HA MET 45 -17.355 2.758 -4.094 350 1HB MET 45 1HB MET 45 -18.108 2.094 -6.359 351 2HB MET 45 2HB MET 45 -18.308 3.771 -6.828 352 1HG MET 45 1HG MET 45 -16.207 3.214 -7.766 353 2HG MET 45 2HG MET 45 -15.760 4.031 -6.282 354 1HE MET 45 1HE MET 45 -14.911 1.361 -8.444 355 2HE MET 45 2HE MET 45 -13.601 2.227 -7.604 356 3HE MET 45 3HE MET 45 -13.778 0.468 -7.401 357 H LYS 46 H LYS 46 -16.478 4.297 -2.681 358 HA LYS 46 HA LYS 46 -16.657 6.967 -2.734 359 1HB LYS 46 1HB LYS 46 -14.913 5.013 -1.573 360 2HB LYS 46 2HB LYS 46 -13.936 6.360 -2.120 361 1HG LYS 46 1HG LYS 46 -14.693 6.803 0.167 362 2HG LYS 46 2HG LYS 46 -15.459 7.947 -0.917 363 1HD LYS 46 1HD LYS 46 -17.085 5.527 -0.699 364 2HD LYS 46 2HD LYS 46 -16.742 6.168 0.896 365 1HE LYS 46 1HE LYS 46 -18.056 7.627 -1.437 366 2HE LYS 46 2HE LYS 46 -18.778 7.232 0.110 367 1HZ LYS 46 1HZ LYS 46 -18.009 9.126 0.879 368 2HZ LYS 46 2HZ LYS 46 -16.464 8.688 0.580 369 3HZ LYS 46 3HZ LYS 46 -17.321 9.487 -0.557 370 H ALA 47 H ALA 47 -13.502 5.700 -3.891 371 HA ALA 47 HA ALA 47 -13.863 6.938 -6.468 372 1HB ALA 47 1HB ALA 47 -12.212 8.626 -6.236 373 2HB ALA 47 2HB ALA 47 -13.220 8.776 -4.776 374 3HB ALA 47 3HB ALA 47 -11.636 7.969 -4.686 375 H PHE 48 H PHE 48 -12.040 6.414 -7.927 376 HA PHE 48 HA PHE 48 -10.760 3.945 -7.029 377 1HB PHE 48 1HB PHE 48 -12.150 3.825 -9.073 378 2HB PHE 48 2HB PHE 48 -11.402 5.270 -9.725 379 HD1 PHE 48 HD1 PHE 48 -9.784 2.284 -8.197 380 HD2 PHE 48 HD2 PHE 48 -10.414 4.578 -11.711 381 HE1 PHE 48 HE1 PHE 48 -8.112 0.868 -9.421 382 HE2 PHE 48 HE2 PHE 48 -8.743 3.161 -12.935 383 HZ PHE 48 HZ PHE 48 -7.611 1.323 -11.776 384 H HIS 49 H HIS 49 -8.659 4.056 -6.409 385 HA HIS 49 HA HIS 49 -7.044 6.155 -7.666 386 1HB HIS 49 1HB HIS 49 -7.479 5.457 -4.878 387 2HB HIS 49 2HB HIS 49 -5.779 5.360 -5.289 388 HD1 HIS 49 HD1 HIS 49 -8.013 7.689 -3.919 389 HD2 HIS 49 HD2 HIS 49 -5.145 7.945 -6.970 390 HE1 HIS 49 HE1 HIS 49 -7.446 10.165 -4.160 391 HE2 HIS 49 HE2 HIS 49 -5.639 10.254 -6.011 392 H TRP 50 H TRP 50 -4.983 5.593 -8.459 393 HA TRP 50 HA TRP 50 -4.121 2.842 -8.105 394 1HB TRP 50 1HB TRP 50 -4.085 2.252 -10.356 395 2HB TRP 50 2HB TRP 50 -5.680 2.927 -10.091 396 HD1 TRP 50 HD1 TRP 50 -5.978 5.593 -11.029 397 HE1 TRP 50 HE1 TRP 50 -4.996 6.805 -13.157 398 HE3 TRP 50 HE3 TRP 50 -2.177 2.305 -11.797 399 HZ2 TRP 50 HZ2 TRP 50 -2.790 6.265 -14.885 400 HZ3 TRP 50 HZ3 TRP 50 -0.654 2.719 -13.727 401 HH2 TRP 50 HH2 TRP 50 -0.913 4.619 -15.243 402 H GLY 51 H GLY 51 -1.834 2.607 -9.015 403 1HA GLY 51 1HA GLY 51 -0.427 5.104 -9.510 404 2HA GLY 51 2HA GLY 51 -0.045 4.301 -8.000 405 H LYS 52 H LYS 52 1.825 4.711 -10.172 406 HA LYS 52 HA LYS 52 2.207 1.929 -11.039 407 1HB LYS 52 1HB LYS 52 1.797 3.227 -12.980 408 2HB LYS 52 2HB LYS 52 2.815 4.541 -12.429 409 1HG LYS 52 1HG LYS 52 4.787 2.884 -12.487 410 2HG LYS 52 2HG LYS 52 3.716 1.760 -13.301 411 1HD LYS 52 1HD LYS 52 3.258 3.791 -14.942 412 2HD LYS 52 2HD LYS 52 4.750 4.434 -14.287 413 1HE LYS 52 1HE LYS 52 6.064 2.780 -15.260 414 2HE LYS 52 2HE LYS 52 4.815 1.557 -15.136 415 1HZ LYS 52 1HZ LYS 52 5.448 2.874 -17.369 416 2HZ LYS 52 2HZ LYS 52 4.031 2.100 -17.124 417 3HZ LYS 52 3HZ LYS 52 4.135 3.711 -16.877 418 H ASP 53 H ASP 53 4.252 0.985 -10.744 419 HA ASP 53 HA ASP 53 5.667 2.016 -8.562 420 1HB ASP 53 1HB ASP 53 6.953 0.038 -8.702 421 2HB ASP 53 2HB ASP 53 5.412 -0.441 -9.385 422 H VAL 54 H VAL 54 7.431 3.439 -8.577 423 HA VAL 54 HA VAL 54 8.305 4.459 -11.114 424 HB VAL 54 HB VAL 54 9.729 5.904 -9.606 425 1HG1 VAL 54 1HG1 VAL 54 7.102 6.108 -10.357 426 2HG1 VAL 54 2HG1 VAL 54 6.989 6.310 -8.592 427 3HG1 VAL 54 3HG1 VAL 54 8.035 7.389 -9.546 428 1HG2 VAL 54 1HG2 VAL 54 9.919 5.500 -7.418 429 2HG2 VAL 54 2HG2 VAL 54 8.153 5.405 -7.222 430 3HG2 VAL 54 3HG2 VAL 54 9.076 3.957 -7.692 431 H SER 55 H SER 55 10.251 4.089 -12.147 432 HA SER 55 HA SER 55 11.480 1.762 -11.984 433 1HB SER 55 1HB SER 55 12.479 4.501 -12.758 434 2HB SER 55 2HB SER 55 13.626 3.175 -12.737 435 HG SER 55 HG SER 55 12.730 3.285 -14.823 436 H ILE 56 H ILE 56 12.449 0.661 -10.323 437 HA ILE 56 HA ILE 56 13.875 2.271 -8.324 438 HB ILE 56 HB ILE 56 11.814 0.959 -7.654 439 1HG1 ILE 56 1HG1 ILE 56 13.036 0.010 -5.586 440 2HG1 ILE 56 2HG1 ILE 56 14.499 0.648 -6.309 441 1HG2 ILE 56 1HG2 ILE 56 12.227 -1.051 -8.980 442 2HG2 ILE 56 2HG2 ILE 56 13.693 -1.391 -8.030 443 3HG2 ILE 56 3HG2 ILE 56 12.094 -1.438 -7.248 444 1HD1 ILE 56 1HD1 ILE 56 13.834 2.871 -6.060 445 2HD1 ILE 56 2HD1 ILE 56 12.101 2.470 -6.139 446 3HD1 ILE 56 3HD1 ILE 56 13.025 2.137 -4.654 447 H GLU 57 H GLU 57 14.613 0.955 -11.105 448 HA GLU 57 HA GLU 57 16.520 0.280 -11.932 449 1HB GLU 57 1HB GLU 57 17.348 1.115 -9.374 450 2HB GLU 57 2HB GLU 57 18.012 -0.499 -9.525 451 1HG GLU 57 1HG GLU 57 18.293 1.447 -11.832 452 2HG GLU 57 2HG GLU 57 19.366 1.586 -10.453 453 H ASN 58 H ASN 58 15.876 -1.598 -8.879 454 HA ASN 58 HA ASN 58 14.950 -3.816 -10.196 455 1HB ASN 58 1HB ASN 58 17.370 -3.963 -10.990 456 2HB ASN 58 2HB ASN 58 17.869 -4.126 -9.318 457 1HD2 ASN 58 1HD2 ASN 58 15.723 -5.516 -11.775 458 2HD2 ASN 58 2HD2 ASN 58 15.817 -7.165 -11.253 459 H LEU 59 H LEU 59 13.516 -3.799 -8.367 460 HA LEU 59 HA LEU 59 14.357 -5.195 -6.098 461 1HB LEU 59 1HB LEU 59 14.940 -2.413 -6.005 462 2HB LEU 59 2HB LEU 59 13.610 -2.711 -4.903 463 HG LEU 59 HG LEU 59 16.285 -4.137 -4.869 464 1HD1 LEU 59 1HD1 LEU 59 15.165 -1.840 -3.276 465 2HD1 LEU 59 2HD1 LEU 59 16.418 -2.910 -2.602 466 3HD1 LEU 59 3HD1 LEU 59 16.740 -1.990 -4.092 467 1HD2 LEU 59 1HD2 LEU 59 13.733 -4.819 -3.684 468 2HD2 LEU 59 2HD2 LEU 59 15.260 -5.733 -3.714 469 3HD2 LEU 59 3HD2 LEU 59 14.966 -4.532 -2.433 470 H HIS 60 H HIS 60 12.390 -5.715 -7.882 471 HA HIS 60 HA HIS 60 10.048 -5.336 -6.226 472 1HB HIS 60 1HB HIS 60 8.645 -4.587 -8.049 473 2HB HIS 60 2HB HIS 60 9.954 -3.453 -7.784 474 HD1 HIS 60 HD1 HIS 60 8.717 -6.032 -10.258 475 HD2 HIS 60 HD2 HIS 60 11.752 -3.155 -9.924 476 HE1 HIS 60 HE1 HIS 60 9.750 -5.810 -12.581 477 HE2 HIS 60 HE2 HIS 60 11.572 -3.989 -12.325 478 H GLN 61 H GLN 61 8.355 -6.939 -6.695 479 HA GLN 61 HA GLN 61 9.586 -9.326 -7.750 480 1HB GLN 61 1HB GLN 61 7.626 -8.709 -5.686 481 2HB GLN 61 2HB GLN 61 6.968 -9.899 -6.791 482 1HG GLN 61 1HG GLN 61 8.241 -10.935 -4.888 483 2HG GLN 61 2HG GLN 61 8.882 -11.381 -6.457 484 1HE2 GLN 61 1HE2 GLN 61 9.456 -9.859 -3.459 485 2HE2 GLN 61 2HE2 GLN 61 11.089 -9.341 -3.711 486 H GLY 62 H GLY 62 7.397 -6.813 -8.683 487 1HA GLY 62 1HA GLY 62 6.943 -6.868 -11.111 488 2HA GLY 62 2HA GLY 62 6.354 -8.502 -10.880 489 H TYR 63 H TYR 63 5.877 -5.670 -8.687 490 HA TYR 63 HA TYR 63 3.150 -6.202 -8.353 491 1HB TYR 63 1HB TYR 63 5.138 -3.931 -7.900 492 2HB TYR 63 2HB TYR 63 3.441 -3.599 -7.618 493 HD1 TYR 63 HD1 TYR 63 6.218 -5.878 -6.605 494 HD2 TYR 63 HD2 TYR 63 2.413 -4.209 -5.583 495 HE1 TYR 63 HE1 TYR 63 6.405 -6.863 -4.268 496 HE2 TYR 63 HE2 TYR 63 2.614 -5.199 -3.250 497 HH TYR 63 HH TYR 63 4.551 -7.591 -2.469 498 H THR 64 H THR 64 4.944 -3.950 -10.524 499 HA THR 64 HA THR 64 4.300 -2.846 -12.345 500 HB THR 64 HB THR 64 2.803 -3.963 -13.749 501 HG1 THR 64 HG1 THR 64 0.729 -3.937 -12.982 502 1HG2 THR 64 1HG2 THR 64 4.140 -5.728 -12.156 503 2HG2 THR 64 2HG2 THR 64 2.471 -6.113 -11.672 504 3HG2 THR 64 3HG2 THR 64 2.958 -6.258 -13.378 505 H HIS 65 H HIS 65 1.304 -3.329 -10.348 506 HA HIS 65 HA HIS 65 1.284 -0.555 -9.722 507 1HB HIS 65 1HB HIS 65 -0.888 -1.603 -11.558 508 2HB HIS 65 2HB HIS 65 -0.868 -0.028 -10.790 509 HD1 HIS 65 HD1 HIS 65 1.072 -2.049 -13.381 510 HD2 HIS 65 HD2 HIS 65 0.529 1.927 -12.160 511 HE1 HIS 65 HE1 HIS 65 2.251 -0.600 -15.119 512 HE2 HIS 65 HE2 HIS 65 1.836 1.834 -14.345 513 H ILE 66 H ILE 66 -0.928 -0.070 -8.494 514 HA ILE 66 HA ILE 66 -1.855 -2.513 -7.189 515 HB ILE 66 HB ILE 66 -1.614 -1.468 -4.990 516 1HG1 ILE 66 1HG1 ILE 66 0.352 0.547 -5.771 517 2HG1 ILE 66 2HG1 ILE 66 -1.241 0.899 -6.410 518 1HG2 ILE 66 1HG2 ILE 66 0.338 -2.711 -6.525 519 2HG2 ILE 66 2HG2 ILE 66 1.177 -1.315 -5.807 520 3HG2 ILE 66 3HG2 ILE 66 0.349 -2.492 -4.759 521 1HD1 ILE 66 1HD1 ILE 66 -1.332 -0.043 -3.612 522 2HD1 ILE 66 2HD1 ILE 66 -0.383 1.449 -3.820 523 3HD1 ILE 66 3HD1 ILE 66 -2.081 1.393 -4.352 524 H PHE 67 H PHE 67 -4.039 -2.521 -6.823 525 HA PHE 67 HA PHE 67 -5.428 -0.074 -7.613 526 1HB PHE 67 1HB PHE 67 -6.115 -3.057 -7.375 527 2HB PHE 67 2HB PHE 67 -7.367 -1.862 -7.649 528 HD1 PHE 67 HD1 PHE 67 -6.096 -4.278 -9.363 529 HD2 PHE 67 HD2 PHE 67 -5.963 -0.040 -9.546 530 HE1 PHE 67 HE1 PHE 67 -5.670 -4.398 -11.834 531 HE2 PHE 67 HE2 PHE 67 -5.537 -0.161 -12.017 532 HZ PHE 67 HZ PHE 67 -5.396 -2.338 -13.131 533 H GLU 68 H GLU 68 -6.213 1.210 -6.017 534 HA GLU 68 HA GLU 68 -6.821 -0.114 -3.492 535 1HB GLU 68 1HB GLU 68 -5.067 1.530 -3.209 536 2HB GLU 68 2HB GLU 68 -5.957 2.737 -4.116 537 1HG GLU 68 1HG GLU 68 -7.322 1.568 -1.704 538 2HG GLU 68 2HG GLU 68 -5.971 2.644 -1.406 539 H SER 69 H SER 69 -8.958 -0.313 -2.986 540 HA SER 69 HA SER 69 -10.765 1.516 -4.358 541 1HB SER 69 1HB SER 69 -10.839 -1.108 -4.672 542 2HB SER 69 2HB SER 69 -11.638 -1.102 -3.113 543 HG SER 69 HG SER 69 -13.206 0.441 -4.039 544 H THR 70 H THR 70 -11.892 2.962 -3.095 545 HA THR 70 HA THR 70 -11.668 2.644 -0.200 546 HB THR 70 HB THR 70 -12.415 4.948 -2.071 547 HG1 THR 70 HG1 THR 70 -10.262 4.162 -0.244 548 1HG2 THR 70 1HG2 THR 70 -12.550 6.380 -0.137 549 2HG2 THR 70 2HG2 THR 70 -13.595 4.991 0.249 550 3HG2 THR 70 3HG2 THR 70 -11.959 5.095 0.944 551 H PHE 71 H PHE 71 -13.286 2.011 1.090 552 HA PHE 71 HA PHE 71 -15.967 2.017 -0.107 553 1HB PHE 71 1HB PHE 71 -14.564 0.033 1.783 554 2HB PHE 71 2HB PHE 71 -16.255 -0.089 1.342 555 HD1 PHE 71 HD1 PHE 71 -13.661 -1.922 0.872 556 HD2 PHE 71 HD2 PHE 71 -16.067 0.579 -1.571 557 HE1 PHE 71 HE1 PHE 71 -13.038 -3.287 -1.140 558 HE2 PHE 71 HE2 PHE 71 -15.444 -0.787 -3.583 559 HZ PHE 71 HZ PHE 71 -13.937 -2.704 -3.343 560 H GLU 72 H GLU 72 -17.743 1.904 1.626 561 HA GLU 72 HA GLU 72 -17.430 4.067 3.311 562 1HB GLU 72 1HB GLU 72 -19.531 2.424 2.437 563 2HB GLU 72 2HB GLU 72 -19.518 2.181 4.172 564 1HG GLU 72 1HG GLU 72 -20.186 4.336 4.619 565 2HG GLU 72 2HG GLU 72 -19.189 5.021 3.351 566 H SER 73 H SER 73 -17.969 0.601 4.301 567 HA SER 73 HA SER 73 -15.951 0.961 6.323 568 1HB SER 73 1HB SER 73 -17.349 0.357 8.181 569 2HB SER 73 2HB SER 73 -18.172 1.655 7.341 570 HG SER 73 HG SER 73 -19.633 0.185 6.429 571 H LYS 74 H LYS 74 -16.110 -1.386 7.711 572 HA LYS 74 HA LYS 74 -15.259 -3.280 5.842 573 1HB LYS 74 1HB LYS 74 -15.130 -4.790 7.761 574 2HB LYS 74 2HB LYS 74 -14.448 -3.220 8.136 575 1HG LYS 74 1HG LYS 74 -17.018 -2.767 8.925 576 2HG LYS 74 2HG LYS 74 -16.957 -4.500 9.173 577 1HD LYS 74 1HD LYS 74 -14.811 -2.626 10.259 578 2HD LYS 74 2HD LYS 74 -16.256 -3.019 11.170 579 1HE LYS 74 1HE LYS 74 -15.682 -5.465 10.985 580 2HE LYS 74 2HE LYS 74 -14.215 -5.042 10.127 581 1HZ LYS 74 1HZ LYS 74 -13.859 -3.554 12.199 582 2HZ LYS 74 2HZ LYS 74 -14.876 -4.610 12.918 583 3HZ LYS 74 3HZ LYS 74 -13.482 -5.142 12.252 584 H GLU 75 H GLU 75 -18.430 -2.524 7.257 585 HA GLU 75 HA GLU 75 -19.614 -4.963 6.553 586 1HB GLU 75 1HB GLU 75 -20.894 -2.231 7.011 587 2HB GLU 75 2HB GLU 75 -21.756 -3.756 6.976 588 1HG GLU 75 1HG GLU 75 -20.122 -4.520 8.862 589 2HG GLU 75 2HG GLU 75 -19.693 -2.827 9.011 590 H ALA 76 H ALA 76 -19.076 -1.853 4.874 591 HA ALA 76 HA ALA 76 -20.820 -2.492 2.704 592 1HB ALA 76 1HB ALA 76 -18.588 -0.471 2.564 593 2HB ALA 76 2HB ALA 76 -20.239 -0.382 1.905 594 3HB ALA 76 3HB ALA 76 -19.966 -0.182 3.653 595 H VAL 77 H VAL 77 -17.418 -3.032 3.574 596 HA VAL 77 HA VAL 77 -16.349 -3.481 1.074 597 HB VAL 77 HB VAL 77 -15.793 -4.556 3.825 598 1HG1 VAL 77 1HG1 VAL 77 -14.876 -6.361 2.783 599 2HG1 VAL 77 2HG1 VAL 77 -14.685 -5.512 1.231 600 3HG1 VAL 77 3HG1 VAL 77 -13.523 -5.229 2.549 601 1HG2 VAL 77 1HG2 VAL 77 -14.562 -2.708 4.013 602 2HG2 VAL 77 2HG2 VAL 77 -13.621 -3.155 2.569 603 3HG2 VAL 77 3HG2 VAL 77 -15.112 -2.197 2.398 604 H ALA 78 H ALA 78 -18.424 -5.541 3.138 605 HA ALA 78 HA ALA 78 -18.048 -7.893 1.619 606 1HB ALA 78 1HB ALA 78 -20.067 -8.647 2.880 607 2HB ALA 78 2HB ALA 78 -18.825 -7.930 3.935 608 3HB ALA 78 3HB ALA 78 -20.271 -6.989 3.495 609 H GLU 79 H GLU 79 -20.313 -5.109 1.481 610 HA GLU 79 HA GLU 79 -22.057 -6.257 -0.347 611 1HB GLU 79 1HB GLU 79 -21.733 -3.753 0.992 612 2HB GLU 79 2HB GLU 79 -21.865 -3.384 -0.716 613 1HG GLU 79 1HG GLU 79 -24.114 -3.595 -0.451 614 2HG GLU 79 2HG GLU 79 -23.840 -5.325 -0.381 615 H TYR 80 H TYR 80 -19.194 -4.072 -0.793 616 HA TYR 80 HA TYR 80 -19.372 -3.913 -3.573 617 1HB TYR 80 1HB TYR 80 -17.139 -3.793 -1.465 618 2HB TYR 80 2HB TYR 80 -16.796 -3.460 -3.151 619 HD1 TYR 80 HD1 TYR 80 -17.719 -2.026 -0.061 620 HD2 TYR 80 HD2 TYR 80 -18.337 -1.614 -4.274 621 HE1 TYR 80 HE1 TYR 80 -18.407 0.399 0.271 622 HE2 TYR 80 HE2 TYR 80 -19.023 0.810 -3.928 623 HH TYR 80 HH TYR 80 -18.830 2.299 -0.726 624 H ILE 81 H ILE 81 -17.504 -6.158 -1.423 625 HA ILE 81 HA ILE 81 -16.301 -7.529 -3.568 626 HB ILE 81 HB ILE 81 -16.681 -8.044 -0.639 627 1HG1 ILE 81 1HG1 ILE 81 -14.316 -7.443 -2.430 628 2HG1 ILE 81 2HG1 ILE 81 -15.005 -6.421 -1.184 629 1HG2 ILE 81 1HG2 ILE 81 -16.882 -10.228 -1.775 630 2HG2 ILE 81 2HG2 ILE 81 -15.312 -9.942 -2.564 631 3HG2 ILE 81 3HG2 ILE 81 -15.404 -10.093 -0.793 632 1HD1 ILE 81 1HD1 ILE 81 -13.394 -8.967 -0.861 633 2HD1 ILE 81 2HD1 ILE 81 -13.140 -7.377 -0.101 634 3HD1 ILE 81 3HD1 ILE 81 -14.478 -8.418 0.441 635 H ALA 82 H ALA 82 -19.504 -7.565 -2.169 636 HA ALA 82 HA ALA 82 -20.059 -10.159 -3.400 637 1HB ALA 82 1HB ALA 82 -22.080 -10.128 -2.065 638 2HB ALA 82 2HB ALA 82 -20.713 -9.687 -1.014 639 3HB ALA 82 3HB ALA 82 -21.814 -8.426 -1.618 640 H HIS 83 H HIS 83 -19.444 -7.740 -4.999 641 HA HIS 83 HA HIS 83 -22.093 -7.218 -6.123 642 1HB HIS 83 1HB HIS 83 -20.268 -5.408 -5.318 643 2HB HIS 83 2HB HIS 83 -19.716 -5.633 -6.966 644 HD1 HIS 83 HD1 HIS 83 -20.965 -4.389 -8.773 645 HD2 HIS 83 HD2 HIS 83 -23.095 -4.554 -5.163 646 HE1 HIS 83 HE1 HIS 83 -23.008 -2.891 -9.079 647 HE2 HIS 83 HE2 HIS 83 -24.306 -3.076 -6.849 648 HA PRO 84 HA PRO 84 -20.947 -9.581 -9.565 649 1HB PRO 84 1HB PRO 84 -22.828 -8.754 -11.367 650 2HB PRO 84 2HB PRO 84 -23.149 -9.949 -10.127 651 1HG PRO 84 1HG PRO 84 -23.990 -7.117 -10.234 652 2HG PRO 84 2HG PRO 84 -24.636 -8.418 -9.252 653 1HD PRO 84 1HD PRO 84 -22.887 -6.317 -8.383 654 2HD PRO 84 2HD PRO 84 -23.439 -7.682 -7.432 655 H ALA 85 H ALA 85 -21.447 -6.154 -10.131 656 HA ALA 85 HA ALA 85 -20.117 -6.012 -12.553 657 1HB ALA 85 1HB ALA 85 -19.734 -3.738 -10.695 658 2HB ALA 85 2HB ALA 85 -20.498 -3.787 -12.302 659 3HB ALA 85 3HB ALA 85 -21.421 -4.282 -10.863 660 H HIS 86 H HIS 86 -18.881 -5.852 -9.161 661 HA HIS 86 HA HIS 86 -16.210 -5.416 -10.025 662 1HB HIS 86 1HB HIS 86 -16.697 -4.536 -7.926 663 2HB HIS 86 2HB HIS 86 -17.571 -5.962 -7.405 664 HD1 HIS 86 HD1 HIS 86 -15.917 -8.207 -7.120 665 HD2 HIS 86 HD2 HIS 86 -14.148 -4.407 -6.949 666 HE1 HIS 86 HE1 HIS 86 -13.659 -8.520 -5.972 667 HE2 HIS 86 HE2 HIS 86 -12.596 -6.161 -5.945 668 H VAL 87 H VAL 87 -18.190 -8.240 -8.994 669 HA VAL 87 HA VAL 87 -16.103 -10.081 -8.879 670 HB VAL 87 HB VAL 87 -19.070 -10.174 -9.216 671 1HG1 VAL 87 1HG1 VAL 87 -18.726 -11.986 -10.597 672 2HG1 VAL 87 2HG1 VAL 87 -17.167 -12.405 -9.848 673 3HG1 VAL 87 3HG1 VAL 87 -18.689 -12.782 -9.006 674 1HG2 VAL 87 1HG2 VAL 87 -17.490 -10.032 -7.030 675 2HG2 VAL 87 2HG2 VAL 87 -19.089 -10.815 -7.037 676 3HG2 VAL 87 3HG2 VAL 87 -17.614 -11.799 -7.197 677 H GLU 88 H GLU 88 -18.326 -9.149 -11.586 678 HA GLU 88 HA GLU 88 -17.282 -10.942 -13.402 679 1HB GLU 88 1HB GLU 88 -19.410 -9.421 -13.501 680 2HB GLU 88 2HB GLU 88 -18.345 -8.210 -14.188 681 1HG GLU 88 1HG GLU 88 -18.974 -9.241 -16.158 682 2HG GLU 88 2HG GLU 88 -17.614 -10.275 -15.765 683 H PHE 89 H PHE 89 -16.398 -7.508 -12.677 684 HA PHE 89 HA PHE 89 -14.505 -7.237 -14.693 685 1HB PHE 89 1HB PHE 89 -15.494 -5.401 -13.292 686 2HB PHE 89 2HB PHE 89 -14.761 -6.082 -11.853 687 HD1 PHE 89 HD1 PHE 89 -12.671 -5.335 -11.155 688 HD2 PHE 89 HD2 PHE 89 -13.868 -4.639 -15.167 689 HE1 PHE 89 HE1 PHE 89 -10.639 -3.906 -11.514 690 HE2 PHE 89 HE2 PHE 89 -11.835 -3.210 -15.525 691 HZ PHE 89 HZ PHE 89 -10.245 -2.861 -13.694 692 H ALA 90 H ALA 90 -14.217 -8.398 -11.281 693 HA ALA 90 HA ALA 90 -11.401 -8.666 -11.401 694 1HB ALA 90 1HB ALA 90 -11.997 -8.602 -9.212 695 2HB ALA 90 2HB ALA 90 -13.627 -9.241 -9.537 696 3HB ALA 90 3HB ALA 90 -12.245 -10.355 -9.401 697 H THR 91 H THR 91 -14.196 -10.712 -12.250 698 HA THR 91 HA THR 91 -12.697 -13.124 -12.443 699 HB THR 91 HB THR 91 -15.408 -12.212 -13.542 700 HG1 THR 91 HG1 THR 91 -16.023 -13.466 -11.599 701 1HG2 THR 91 1HG2 THR 91 -14.461 -15.070 -13.044 702 2HG2 THR 91 2HG2 THR 91 -15.932 -14.534 -13.891 703 3HG2 THR 91 3HG2 THR 91 -14.338 -14.318 -14.653 704 H ILE 92 H ILE 92 -13.641 -10.538 -14.758 705 HA ILE 92 HA ILE 92 -12.686 -11.898 -17.022 706 HB ILE 92 HB ILE 92 -13.458 -9.101 -16.336 707 1HG1 ILE 92 1HG1 ILE 92 -14.376 -10.801 -18.653 708 2HG1 ILE 92 2HG1 ILE 92 -15.013 -11.051 -17.039 709 1HG2 ILE 92 1HG2 ILE 92 -11.540 -8.616 -17.637 710 2HG2 ILE 92 2HG2 ILE 92 -11.907 -9.911 -18.801 711 3HG2 ILE 92 3HG2 ILE 92 -12.939 -8.463 -18.727 712 1HD1 ILE 92 1HD1 ILE 92 -15.111 -8.461 -18.650 713 2HD1 ILE 92 2HD1 ILE 92 -16.485 -9.505 -18.212 714 3HD1 ILE 92 3HD1 ILE 92 -15.621 -8.594 -16.950 715 H PHE 93 H PHE 93 -11.176 -9.641 -14.658 716 HA PHE 93 HA PHE 93 -8.742 -9.461 -16.086 717 1HB PHE 93 1HB PHE 93 -9.759 -7.905 -14.278 718 2HB PHE 93 2HB PHE 93 -9.369 -9.135 -13.092 719 HD1 PHE 93 HD1 PHE 93 -7.715 -8.203 -11.759 720 HD2 PHE 93 HD2 PHE 93 -7.356 -7.903 -15.976 721 HE1 PHE 93 HE1 PHE 93 -5.421 -7.219 -11.494 722 HE2 PHE 93 HE2 PHE 93 -5.062 -6.919 -15.711 723 HZ PHE 93 HZ PHE 93 -4.122 -6.589 -13.473 724 H LEU 94 H LEU 94 -10.072 -11.676 -13.619 725 HA LEU 94 HA LEU 94 -7.643 -12.803 -12.816 726 1HB LEU 94 1HB LEU 94 -10.523 -13.459 -12.630 727 2HB LEU 94 2HB LEU 94 -9.416 -14.806 -12.452 728 HG LEU 94 HG LEU 94 -9.237 -12.266 -10.812 729 1HD1 LEU 94 1HD1 LEU 94 -10.112 -14.517 -9.273 730 2HD1 LEU 94 2HD1 LEU 94 -10.913 -12.949 -9.534 731 3HD1 LEU 94 3HD1 LEU 94 -11.209 -14.297 -10.658 732 1HD2 LEU 94 1HD2 LEU 94 -8.112 -14.412 -9.424 733 2HD2 LEU 94 2HD2 LEU 94 -7.545 -14.604 -11.100 734 3HD2 LEU 94 3HD2 LEU 94 -7.252 -13.079 -10.230 735 H GLY 95 H GLY 95 -9.602 -13.140 -15.726 736 1HA GLY 95 1HA GLY 95 -8.784 -15.664 -16.595 737 2HA GLY 95 2HA GLY 95 -9.306 -14.332 -17.607 738 H SER 96 H SER 96 -7.297 -12.386 -17.013 739 HA SER 96 HA SER 96 -4.917 -13.792 -17.946 740 1HB SER 96 1HB SER 96 -4.427 -11.617 -19.232 741 2HB SER 96 2HB SER 96 -5.705 -12.635 -19.867 742 HG SER 96 HG SER 96 -7.241 -11.242 -18.651 743 H LEU 97 H LEU 97 -5.073 -13.576 -15.282 744 HA LEU 97 HA LEU 97 -3.555 -11.142 -14.645 745 1HB LEU 97 1HB LEU 97 -5.578 -10.929 -13.513 746 2HB LEU 97 2HB LEU 97 -5.661 -12.635 -13.118 747 HG LEU 97 HG LEU 97 -3.422 -11.014 -11.964 748 1HD1 LEU 97 1HD1 LEU 97 -6.043 -10.121 -11.706 749 2HD1 LEU 97 2HD1 LEU 97 -5.745 -11.045 -10.214 750 3HD1 LEU 97 3HD1 LEU 97 -4.663 -9.705 -10.662 751 1HD2 LEU 97 1HD2 LEU 97 -3.708 -13.538 -11.718 752 2HD2 LEU 97 2HD2 LEU 97 -3.456 -12.598 -10.228 753 3HD2 LEU 97 3HD2 LEU 97 -5.088 -13.165 -10.656 754 H ASP 98 H ASP 98 -1.741 -11.379 -13.210 755 HA ASP 98 HA ASP 98 -0.612 -14.022 -13.452 756 1HB ASP 98 1HB ASP 98 0.706 -11.997 -14.121 757 2HB ASP 98 2HB ASP 98 0.596 -11.387 -12.482 758 H LYS 99 H LYS 99 -0.901 -11.362 -10.964 759 HA LYS 99 HA LYS 99 -1.571 -13.334 -8.959 760 1HB LYS 99 1HB LYS 99 0.936 -11.640 -8.770 761 2HB LYS 99 2HB LYS 99 0.211 -12.476 -7.412 762 1HG LYS 99 1HG LYS 99 0.320 -14.592 -9.033 763 2HG LYS 99 2HG LYS 99 1.537 -13.647 -9.867 764 1HD LYS 99 1HD LYS 99 1.577 -14.520 -6.945 765 2HD LYS 99 2HD LYS 99 2.659 -15.049 -8.218 766 1HE LYS 99 1HE LYS 99 2.813 -12.195 -8.196 767 2HE LYS 99 2HE LYS 99 2.857 -12.691 -6.516 768 1HZ LYS 99 1HZ LYS 99 4.470 -14.355 -8.130 769 2HZ LYS 99 2HZ LYS 99 4.919 -12.791 -8.268 770 3HZ LYS 99 3HZ LYS 99 4.875 -13.501 -6.798 771 H VAL 100 H VAL 100 -2.544 -12.358 -7.053 772 HA VAL 100 HA VAL 100 -2.948 -9.503 -7.114 773 HB VAL 100 HB VAL 100 -4.674 -9.956 -8.591 774 1HG1 VAL 100 1HG1 VAL 100 -5.009 -12.525 -7.061 775 2HG1 VAL 100 2HG1 VAL 100 -6.359 -11.879 -8.025 776 3HG1 VAL 100 3HG1 VAL 100 -4.808 -12.263 -8.810 777 1HG2 VAL 100 1HG2 VAL 100 -5.315 -8.836 -6.317 778 2HG2 VAL 100 2HG2 VAL 100 -6.595 -9.302 -7.463 779 3HG2 VAL 100 3HG2 VAL 100 -6.247 -10.330 -6.053 780 H LEU 101 H LEU 101 -3.046 -8.748 -5.043 781 HA LEU 101 HA LEU 101 -3.811 -10.678 -2.976 782 1HB LEU 101 1HB LEU 101 -1.312 -9.017 -3.134 783 2HB LEU 101 2HB LEU 101 -1.969 -9.521 -1.590 784 HG LEU 101 HG LEU 101 -0.379 -11.143 -2.030 785 1HD1 LEU 101 1HD1 LEU 101 -2.572 -12.648 -3.380 786 2HD1 LEU 101 2HD1 LEU 101 -1.546 -13.099 -1.997 787 3HD1 LEU 101 3HD1 LEU 101 -2.894 -11.959 -1.771 788 1HD2 LEU 101 1HD2 LEU 101 -0.707 -10.360 -4.729 789 2HD2 LEU 101 2HD2 LEU 101 0.548 -11.408 -4.026 790 3HD2 LEU 101 3HD2 LEU 101 -0.952 -12.122 -4.664 791 H VAL 102 H VAL 102 -5.327 -9.899 -1.594 792 HA VAL 102 HA VAL 102 -5.971 -7.062 -1.873 793 HB VAL 102 HB VAL 102 -8.066 -7.860 -0.627 794 1HG1 VAL 102 1HG1 VAL 102 -7.277 -8.380 -3.457 795 2HG1 VAL 102 2HG1 VAL 102 -8.810 -9.085 -2.891 796 3HG1 VAL 102 3HG1 VAL 102 -8.549 -7.327 -2.794 797 1HG2 VAL 102 1HG2 VAL 102 -7.339 -10.586 -1.682 798 2HG2 VAL 102 2HG2 VAL 102 -6.853 -10.091 -0.043 799 3HG2 VAL 102 3HG2 VAL 102 -8.576 -10.128 -0.488 800 H ILE 103 H ILE 103 -5.262 -5.670 -0.349 801 HA ILE 103 HA ILE 103 -4.985 -6.713 2.374 802 HB ILE 103 HB ILE 103 -2.962 -5.087 0.836 803 1HG1 ILE 103 1HG1 ILE 103 -3.007 -7.586 0.508 804 2HG1 ILE 103 2HG1 ILE 103 -1.494 -6.924 1.091 805 1HG2 ILE 103 1HG2 ILE 103 -1.700 -5.416 3.123 806 2HG2 ILE 103 2HG2 ILE 103 -2.811 -4.048 2.874 807 3HG2 ILE 103 3HG2 ILE 103 -3.354 -5.482 3.777 808 1HD1 ILE 103 1HD1 ILE 103 -2.283 -9.027 2.294 809 2HD1 ILE 103 2HD1 ILE 103 -1.941 -7.643 3.360 810 3HD1 ILE 103 3HD1 ILE 103 -3.623 -8.059 2.954 811 H ASP 104 H ASP 104 -5.298 -5.113 4.050 812 HA ASP 104 HA ASP 104 -6.741 -2.805 3.005 813 1HB ASP 104 1HB ASP 104 -7.182 -4.655 5.329 814 2HB ASP 104 2HB ASP 104 -7.567 -2.967 5.603 815 H TYR 105 H TYR 105 -6.233 -0.729 3.957 816 HA TYR 105 HA TYR 105 -4.157 -0.731 6.023 817 1HB TYR 105 1HB TYR 105 -3.314 -0.481 3.564 818 2HB TYR 105 2HB TYR 105 -4.265 0.987 3.468 819 HD1 TYR 105 HD1 TYR 105 -3.757 2.802 5.320 820 HD2 TYR 105 HD2 TYR 105 -1.082 -0.355 4.233 821 HE1 TYR 105 HE1 TYR 105 -1.801 4.123 6.266 822 HE2 TYR 105 HE2 TYR 105 0.865 0.976 5.183 823 HH TYR 105 HH TYR 105 1.505 2.829 6.083 824 H LYS 106 H LYS 106 -4.475 0.799 7.598 825 HA LYS 106 HA LYS 106 -6.497 2.846 7.011 826 1HB LYS 106 1HB LYS 106 -6.873 0.710 8.715 827 2HB LYS 106 2HB LYS 106 -6.330 1.963 9.812 828 1HG LYS 106 1HG LYS 106 -8.271 2.981 7.835 829 2HG LYS 106 2HG LYS 106 -8.930 1.669 8.792 830 1HD LYS 106 1HD LYS 106 -8.639 2.836 10.840 831 2HD LYS 106 2HD LYS 106 -7.429 3.913 10.171 832 1HE LYS 106 1HE LYS 106 -9.023 5.429 9.619 833 2HE LYS 106 2HE LYS 106 -9.861 4.241 8.640 834 1HZ LYS 106 1HZ LYS 106 -11.261 3.757 10.311 835 2HZ LYS 106 2HZ LYS 106 -10.170 4.003 11.500 836 3HZ LYS 106 3HZ LYS 106 -10.907 5.277 10.792 837 HA PRO 107 HA PRO 107 -3.413 5.557 8.356 838 1HB PRO 107 1HB PRO 107 -4.896 7.817 8.754 839 2HB PRO 107 2HB PRO 107 -4.341 7.301 7.174 840 1HG PRO 107 1HG PRO 107 -7.057 7.136 8.329 841 2HG PRO 107 2HG PRO 107 -6.571 7.030 6.649 842 1HD PRO 107 1HD PRO 107 -7.326 4.853 8.358 843 2HD PRO 107 2HD PRO 107 -6.729 4.737 6.714 844 H THR 108 H THR 108 -2.732 4.437 10.218 845 HA THR 108 HA THR 108 -3.827 5.728 12.627 846 HB THR 108 HB THR 108 -3.459 2.818 11.907 847 HG1 THR 108 HG1 THR 108 -5.589 3.603 12.119 848 1HG2 THR 108 1HG2 THR 108 -3.827 2.787 14.655 849 2HG2 THR 108 2HG2 THR 108 -2.276 2.442 13.853 850 3HG2 THR 108 3HG2 THR 108 -2.613 4.075 14.474 851 H SER 109 H SER 109 -2.087 7.295 12.308 852 HA SER 109 HA SER 109 0.567 6.266 12.481 853 1HB SER 109 1HB SER 109 1.062 8.823 12.737 854 2HB SER 109 2HB SER 109 0.466 8.228 11.200 855 HG SER 109 HG SER 109 -1.058 9.540 13.282 856 H VAL 110 H VAL 110 2.096 7.038 14.255 857 HA VAL 110 HA VAL 110 0.717 6.797 16.807 858 HB VAL 110 HB VAL 110 3.589 6.522 15.921 859 1HG1 VAL 110 1HG1 VAL 110 3.848 7.464 18.054 860 2HG1 VAL 110 2HG1 VAL 110 2.422 6.621 18.704 861 3HG1 VAL 110 3HG1 VAL 110 3.910 5.710 18.352 862 1HG2 VAL 110 1HG2 VAL 110 1.877 4.680 15.478 863 2HG2 VAL 110 2HG2 VAL 110 3.343 4.211 16.371 864 3HG2 VAL 110 3HG2 VAL 110 1.811 4.460 17.243 865 H SER 111 H SER 111 0.706 8.392 18.382 866 HA SER 111 HA SER 111 1.149 11.004 17.445 867 1HB SER 111 1HB SER 111 0.872 11.148 20.240 868 2HB SER 111 2HB SER 111 -0.407 11.312 19.053 869 HG SER 111 HG SER 111 -1.066 9.658 20.412 870 H LEU 112 H LEU 112 2.900 12.389 17.768 871 HA LEU 112 HA LEU 112 5.265 11.167 18.901 872 1HB LEU 112 1HB LEU 112 4.925 13.848 17.553 873 2HB LEU 112 2HB LEU 112 6.436 13.045 17.930 874 HG LEU 112 HG LEU 112 4.359 11.994 15.988 875 1HD1 LEU 112 1HD1 LEU 112 6.442 13.998 15.678 876 2HD1 LEU 112 2HD1 LEU 112 6.673 12.620 14.575 877 3HD1 LEU 112 3HD1 LEU 112 5.136 13.518 14.568 878 1HD2 LEU 112 1HD2 LEU 112 5.566 10.149 16.867 879 2HD2 LEU 112 2HD2 LEU 112 6.265 10.505 15.269 880 3HD2 LEU 112 3HD2 LEU 112 7.117 11.013 16.747 881 1H GLY 1 1H GLY 1 13.215 18.819 18.816 882 1HA GLY 1 1HA GLY 1 13.286 19.389 16.479 883 2HA GLY 1 2HA GLY 1 11.687 19.734 17.108 884 H SER 2 H SER 2 13.767 20.965 14.999 885 HA SER 2 HA SER 2 13.897 23.646 15.997 886 1HB SER 2 1HB SER 2 15.047 22.101 13.738 887 2HB SER 2 2HB SER 2 14.659 23.762 13.333 888 HG SER 2 HG SER 2 16.277 22.922 15.587 889 H HIS 3 H HIS 3 12.183 21.749 13.444 890 HA HIS 3 HA HIS 3 9.866 23.218 13.604 891 1HB HIS 3 1HB HIS 3 11.914 24.527 12.010 892 2HB HIS 3 2HB HIS 3 10.513 24.139 11.032 893 HD1 HIS 3 HD1 HIS 3 11.159 27.080 11.622 894 HD2 HIS 3 HD2 HIS 3 8.597 24.749 13.988 895 HE1 HIS 3 HE1 HIS 3 9.636 28.716 12.852 896 H MET 4 H MET 4 8.583 22.884 11.295 897 HA MET 4 HA MET 4 9.385 20.784 9.698 898 1HB MET 4 1HB MET 4 7.931 18.950 10.583 899 2HB MET 4 2HB MET 4 9.125 19.417 11.778 900 1HG MET 4 1HG MET 4 6.912 21.138 12.246 901 2HG MET 4 2HG MET 4 6.204 19.565 11.937 902 1HE MET 4 1HE MET 4 8.227 20.980 15.660 903 2HE MET 4 2HE MET 4 9.001 21.442 14.125 904 3HE MET 4 3HE MET 4 7.288 21.833 14.412 905 H GLU 5 H GLU 5 7.834 20.357 8.016 906 HA GLU 5 HA GLU 5 5.420 21.976 8.268 907 1HB GLU 5 1HB GLU 5 7.575 22.363 6.461 908 2HB GLU 5 2HB GLU 5 6.289 21.662 5.499 909 1HG GLU 5 1HG GLU 5 4.702 23.397 6.340 910 2HG GLU 5 2HG GLU 5 5.972 24.089 7.330 911 H GLU 6 H GLU 6 3.569 20.791 8.073 912 HA GLU 6 HA GLU 6 3.863 18.164 6.861 913 1HB GLU 6 1HB GLU 6 2.962 18.605 9.300 914 2HB GLU 6 2HB GLU 6 1.469 19.043 8.494 915 1HG GLU 6 1HG GLU 6 2.682 16.509 7.510 916 2HG GLU 6 2HG GLU 6 2.192 16.461 9.192 917 H ALA 7 H ALA 7 3.013 17.823 4.854 918 HA ALA 7 HA ALA 7 0.845 19.625 4.016 919 1HB ALA 7 1HB ALA 7 2.745 18.440 2.019 920 2HB ALA 7 2HB ALA 7 1.877 19.994 1.986 921 3HB ALA 7 3HB ALA 7 3.317 19.801 3.014 922 H LYS 8 H LYS 8 0.744 18.065 1.426 923 HA LYS 8 HA LYS 8 -1.058 16.062 2.380 924 1HB LYS 8 1HB LYS 8 -1.414 17.527 0.359 925 2HB LYS 8 2HB LYS 8 -0.161 16.617 -0.460 926 1HG LYS 8 1HG LYS 8 -1.857 15.228 -1.102 927 2HG LYS 8 2HG LYS 8 -1.727 14.564 0.514 928 1HD LYS 8 1HD LYS 8 -3.335 16.819 0.909 929 2HD LYS 8 2HD LYS 8 -3.861 16.245 -0.661 930 1HE LYS 8 1HE LYS 8 -3.517 14.002 1.197 931 2HE LYS 8 2HE LYS 8 -4.601 15.203 1.872 932 1HZ LYS 8 1HZ LYS 8 -6.117 14.795 0.305 933 2HZ LYS 8 2HZ LYS 8 -5.033 14.596 -0.900 934 3HZ LYS 8 3HZ LYS 8 -5.345 13.367 0.129 935 H GLY 9 H GLY 9 1.580 15.720 -0.082 936 1HA GLY 9 1HA GLY 9 2.336 13.202 1.280 937 2HA GLY 9 2HA GLY 9 2.263 13.385 -0.461 938 HA PRO 10 HA PRO 10 2.570 15.149 -1.674 939 1HB PRO 10 1HB PRO 10 4.113 15.397 -3.917 940 2HB PRO 10 2HB PRO 10 3.637 16.762 -2.925 941 1HG PRO 10 1HG PRO 10 6.268 15.425 -3.099 942 2HG PRO 10 2HG PRO 10 5.883 17.011 -2.462 943 1HD PRO 10 1HD PRO 10 6.447 14.643 -0.945 944 2HD PRO 10 2HD PRO 10 5.948 16.199 -0.312 945 H VAL 11 H VAL 11 5.375 13.110 -2.292 946 HA VAL 11 HA VAL 11 3.606 11.251 -3.670 947 HB VAL 11 HB VAL 11 6.565 11.670 -3.463 948 1HG1 VAL 11 1HG1 VAL 11 5.248 9.131 -4.486 949 2HG1 VAL 11 2HG1 VAL 11 6.976 9.541 -4.609 950 3HG1 VAL 11 3HG1 VAL 11 6.236 9.275 -3.012 951 1HG2 VAL 11 1HG2 VAL 11 4.786 11.162 -5.867 952 2HG2 VAL 11 2HG2 VAL 11 5.162 12.780 -5.228 953 3HG2 VAL 11 3HG2 VAL 11 6.467 11.748 -5.862 954 H LYS 12 H LYS 12 2.976 9.291 -2.827 955 HA LYS 12 HA LYS 12 3.843 8.804 -0.071 956 1HB LYS 12 1HB LYS 12 1.284 8.840 -1.343 957 2HB LYS 12 2HB LYS 12 1.599 7.196 -0.826 958 1HG LYS 12 1HG LYS 12 1.122 7.788 1.307 959 2HG LYS 12 2HG LYS 12 2.500 8.871 1.305 960 1HD LYS 12 1HD LYS 12 1.206 10.750 0.960 961 2HD LYS 12 2HD LYS 12 0.096 9.922 -0.114 962 1HE LYS 12 1HE LYS 12 -0.796 8.689 1.983 963 2HE LYS 12 2HE LYS 12 0.130 9.833 2.934 964 1HZ LYS 12 1HZ LYS 12 -1.733 11.019 2.744 965 2HZ LYS 12 2HZ LYS 12 -1.140 11.461 1.288 966 3HZ LYS 12 3HZ LYS 12 -2.249 10.266 1.389 967 H HIS 13 H HIS 13 5.424 7.324 0.159 968 HA HIS 13 HA HIS 13 5.855 5.442 -1.980 969 1HB HIS 13 1HB HIS 13 7.729 6.671 -0.950 970 2HB HIS 13 2HB HIS 13 7.380 5.924 0.595 971 HD1 HIS 13 HD1 HIS 13 9.227 5.399 -2.549 972 HD2 HIS 13 HD2 HIS 13 7.834 3.022 0.614 973 HE1 HIS 13 HE1 HIS 13 10.485 3.185 -2.710 974 HE2 HIS 13 HE2 HIS 13 9.627 1.787 -0.709 975 H VAL 14 H VAL 14 5.220 3.329 -1.985 976 HA VAL 14 HA VAL 14 3.963 2.372 0.487 977 HB VAL 14 HB VAL 14 3.519 1.785 -2.435 978 1HG1 VAL 14 1HG1 VAL 14 3.298 -0.379 -1.713 979 2HG1 VAL 14 2HG1 VAL 14 2.881 0.098 -0.049 980 3HG1 VAL 14 3HG1 VAL 14 1.663 0.220 -1.342 981 1HG2 VAL 14 1HG2 VAL 14 1.633 2.693 -0.234 982 2HG2 VAL 14 2HG2 VAL 14 2.374 3.746 -1.463 983 3HG2 VAL 14 3HG2 VAL 14 1.228 2.476 -1.953 984 H LEU 15 H LEU 15 5.108 0.927 1.655 985 HA LEU 15 HA LEU 15 6.989 -0.769 0.164 986 1HB LEU 15 1HB LEU 15 8.120 0.976 1.475 987 2HB LEU 15 2HB LEU 15 7.327 0.403 2.929 988 HG LEU 15 HG LEU 15 9.804 -0.299 2.292 989 1HD1 LEU 15 1HD1 LEU 15 7.721 -1.392 3.956 990 2HD1 LEU 15 2HD1 LEU 15 8.793 -2.691 3.380 991 3HD1 LEU 15 3HD1 LEU 15 9.475 -1.294 4.247 992 1HD2 LEU 15 1HD2 LEU 15 8.286 -2.616 1.090 993 2HD2 LEU 15 2HD2 LEU 15 8.967 -1.300 0.105 994 3HD2 LEU 15 3HD2 LEU 15 10.040 -2.315 1.099 995 H LEU 16 H LEU 16 6.427 -2.872 0.192 996 HA LEU 16 HA LEU 16 4.773 -3.754 2.455 997 1HB LEU 16 1HB LEU 16 4.739 -5.300 -0.061 998 2HB LEU 16 2HB LEU 16 3.453 -4.956 1.078 999 HG LEU 16 HG LEU 16 3.760 -2.486 0.063 1000 1HD1 LEU 16 1HD1 LEU 16 5.291 -2.564 -1.591 1001 2HD1 LEU 16 2HD1 LEU 16 5.072 -4.309 -1.867 1002 3HD1 LEU 16 3HD1 LEU 16 3.910 -3.147 -2.551 1003 1HD2 LEU 16 1HD2 LEU 16 1.953 -4.693 -0.297 1004 2HD2 LEU 16 2HD2 LEU 16 1.624 -2.944 -0.316 1005 3HD2 LEU 16 3HD2 LEU 16 2.097 -3.776 -1.816 1006 H ALA 17 H ALA 17 5.537 -5.392 3.717 1007 HA ALA 17 HA ALA 17 7.693 -7.035 2.645 1008 1HB ALA 17 1HB ALA 17 7.842 -5.331 5.159 1009 2HB ALA 17 2HB ALA 17 8.957 -6.673 4.809 1010 3HB ALA 17 3HB ALA 17 8.904 -5.257 3.732 1011 H SER 18 H SER 18 7.846 -9.107 3.678 1012 HA SER 18 HA SER 18 5.598 -9.622 5.465 1013 1HB SER 18 1HB SER 18 5.799 -12.029 4.380 1014 2HB SER 18 2HB SER 18 4.895 -10.767 3.567 1015 HG SER 18 HG SER 18 6.215 -11.516 1.967 1016 H PHE 19 H PHE 19 6.062 -10.834 7.327 1017 HA PHE 19 HA PHE 19 8.886 -11.309 7.789 1018 1HB PHE 19 1HB PHE 19 6.291 -11.149 9.393 1019 2HB PHE 19 2HB PHE 19 7.698 -11.882 10.136 1020 HD1 PHE 19 HD1 PHE 19 5.952 -8.896 9.734 1021 HD2 PHE 19 HD2 PHE 19 9.914 -10.403 9.921 1022 HE1 PHE 19 HE1 PHE 19 6.786 -6.623 10.398 1023 HE2 PHE 19 HE2 PHE 19 10.748 -8.131 10.585 1024 HZ PHE 19 HZ PHE 19 9.174 -6.268 10.815 1025 H LYS 20 H LYS 20 9.734 -13.282 7.330 1026 HA LYS 20 HA LYS 20 8.316 -15.490 6.597 1027 1HB LYS 20 1HB LYS 20 10.385 -16.743 6.993 1028 2HB LYS 20 2HB LYS 20 10.695 -15.218 6.188 1029 1HG LYS 20 1HG LYS 20 11.676 -14.244 8.092 1030 2HG LYS 20 2HG LYS 20 10.807 -15.282 9.205 1031 1HD LYS 20 1HD LYS 20 13.063 -16.080 9.242 1032 2HD LYS 20 2HD LYS 20 12.183 -17.247 8.276 1033 1HE LYS 20 1HE LYS 20 12.942 -15.476 6.314 1034 2HE LYS 20 2HE LYS 20 14.272 -15.277 7.437 1035 1HZ LYS 20 1HZ LYS 20 14.558 -17.074 5.797 1036 2HZ LYS 20 2HZ LYS 20 14.708 -17.580 7.343 1037 3HZ LYS 20 3HZ LYS 20 13.342 -17.902 6.507 1038 H ASP 21 H ASP 21 8.108 -17.639 7.752 1039 HA ASP 21 HA ASP 21 6.770 -17.130 10.203 1040 1HB ASP 21 1HB ASP 21 6.964 -19.283 8.211 1041 2HB ASP 21 2HB ASP 21 6.998 -19.928 9.840 1042 H GLY 22 H GLY 22 8.166 -16.783 11.972 1043 1HA GLY 22 1HA GLY 22 9.492 -18.813 13.241 1044 2HA GLY 22 2HA GLY 22 10.700 -18.101 12.190 1045 H VAL 23 H VAL 23 9.400 -15.369 12.292 1046 HA VAL 23 HA VAL 23 10.709 -14.526 14.709 1047 HB VAL 23 HB VAL 23 10.942 -13.381 12.525 1048 1HG1 VAL 23 1HG1 VAL 23 8.197 -13.631 12.350 1049 2HG1 VAL 23 2HG1 VAL 23 8.412 -11.906 12.735 1050 3HG1 VAL 23 3HG1 VAL 23 9.218 -12.607 11.311 1051 1HG2 VAL 23 1HG2 VAL 23 10.914 -12.301 15.011 1052 2HG2 VAL 23 2HG2 VAL 23 11.324 -11.390 13.538 1053 3HG2 VAL 23 3HG2 VAL 23 9.681 -11.294 14.215 1054 H SER 24 H SER 24 9.755 -13.756 16.582 1055 HA SER 24 HA SER 24 7.114 -14.592 17.026 1056 1HB SER 24 1HB SER 24 8.549 -12.647 18.842 1057 2HB SER 24 2HB SER 24 7.480 -13.967 19.273 1058 HG SER 24 HG SER 24 9.316 -15.334 18.196 1059 HA PRO 25 HA PRO 25 4.984 -10.925 16.053 1060 1HB PRO 25 1HB PRO 25 2.774 -11.102 17.650 1061 2HB PRO 25 2HB PRO 25 2.941 -11.983 16.145 1062 1HG PRO 25 1HG PRO 25 3.162 -12.989 18.915 1063 2HG PRO 25 2HG PRO 25 2.903 -13.893 17.437 1064 1HD PRO 25 1HD PRO 25 5.358 -13.671 18.904 1065 2HD PRO 25 2HD PRO 25 5.125 -14.477 17.366 1066 H GLU 26 H GLU 26 5.387 -11.483 19.490 1067 HA GLU 26 HA GLU 26 4.844 -8.908 20.277 1068 1HB GLU 26 1HB GLU 26 5.550 -11.256 21.529 1069 2HB GLU 26 2HB GLU 26 7.009 -10.313 21.764 1070 1HG GLU 26 1HG GLU 26 5.479 -8.398 22.588 1071 2HG GLU 26 2HG GLU 26 4.175 -9.569 22.604 1072 H LYS 27 H LYS 27 7.685 -10.312 18.702 1073 HA LYS 27 HA LYS 27 9.425 -8.153 19.389 1074 1HB LYS 27 1HB LYS 27 9.609 -10.742 18.120 1075 2HB LYS 27 2HB LYS 27 10.412 -9.540 17.131 1076 1HG LYS 27 1HG LYS 27 11.700 -8.755 19.127 1077 2HG LYS 27 2HG LYS 27 10.895 -9.953 20.120 1078 1HD LYS 27 1HD LYS 27 12.622 -11.337 19.583 1079 2HD LYS 27 2HD LYS 27 11.844 -11.509 18.022 1080 1HE LYS 27 1HE LYS 27 13.379 -10.157 16.947 1081 2HE LYS 27 2HE LYS 27 13.539 -9.068 18.311 1082 1HZ LYS 27 1HZ LYS 27 15.477 -10.551 17.785 1083 2HZ LYS 27 2HZ LYS 27 15.006 -10.513 19.348 1084 3HZ LYS 27 3HZ LYS 27 14.612 -11.789 18.408 1085 H ILE 28 H ILE 28 7.171 -8.976 16.746 1086 HA ILE 28 HA ILE 28 8.077 -7.105 14.894 1087 HB ILE 28 HB ILE 28 5.400 -8.389 15.393 1088 1HG1 ILE 28 1HG1 ILE 28 7.225 -8.869 13.051 1089 2HG1 ILE 28 2HG1 ILE 28 7.555 -9.641 14.589 1090 1HG2 ILE 28 1HG2 ILE 28 4.543 -6.667 14.215 1091 2HG2 ILE 28 2HG2 ILE 28 6.120 -6.199 13.535 1092 3HG2 ILE 28 3HG2 ILE 28 5.215 -7.559 12.829 1093 1HD1 ILE 28 1HD1 ILE 28 4.797 -10.034 14.253 1094 2HD1 ILE 28 2HD1 ILE 28 5.463 -10.241 12.616 1095 3HD1 ILE 28 3HD1 ILE 28 6.072 -11.240 13.957 1096 H GLU 29 H GLU 29 5.694 -6.852 17.596 1097 HA GLU 29 HA GLU 29 5.040 -4.195 16.975 1098 1HB GLU 29 1HB GLU 29 3.974 -4.213 19.249 1099 2HB GLU 29 2HB GLU 29 3.493 -5.569 18.249 1100 1HG GLU 29 1HG GLU 29 4.987 -7.083 19.418 1101 2HG GLU 29 2HG GLU 29 5.797 -5.762 20.236 1102 H GLU 30 H GLU 30 7.618 -5.766 18.826 1103 HA GLU 30 HA GLU 30 8.300 -3.486 20.324 1104 1HB GLU 30 1HB GLU 30 9.319 -6.222 19.914 1105 2HB GLU 30 2HB GLU 30 10.608 -5.060 20.151 1106 1HG GLU 30 1HG GLU 30 8.470 -4.497 22.038 1107 2HG GLU 30 2HG GLU 30 8.883 -6.197 22.136 1108 H LEU 31 H LEU 31 9.391 -4.905 17.198 1109 HA LEU 31 HA LEU 31 11.533 -3.127 16.821 1110 1HB LEU 31 1HB LEU 31 10.193 -5.256 15.397 1111 2HB LEU 31 2HB LEU 31 10.576 -3.934 14.312 1112 HG LEU 31 HG LEU 31 12.851 -4.517 16.006 1113 1HD1 LEU 31 1HD1 LEU 31 12.065 -6.752 16.236 1114 2HD1 LEU 31 2HD1 LEU 31 11.645 -6.854 14.509 1115 3HD1 LEU 31 3HD1 LEU 31 13.352 -6.770 15.006 1116 1HD2 LEU 31 1HD2 LEU 31 12.217 -4.225 13.111 1117 2HD2 LEU 31 2HD2 LEU 31 13.448 -3.417 14.110 1118 3HD2 LEU 31 3HD2 LEU 31 13.713 -5.085 13.548 1119 H ILE 32 H ILE 32 8.088 -3.104 15.702 1120 HA ILE 32 HA ILE 32 8.326 -0.691 14.295 1121 HB ILE 32 HB ILE 32 5.929 -2.060 15.519 1122 1HG1 ILE 32 1HG1 ILE 32 6.978 -2.135 12.675 1123 2HG1 ILE 32 2HG1 ILE 32 7.242 -3.395 13.865 1124 1HG2 ILE 32 1HG2 ILE 32 4.530 -0.570 14.543 1125 2HG2 ILE 32 2HG2 ILE 32 5.917 0.518 14.787 1126 3HG2 ILE 32 3HG2 ILE 32 5.642 -0.230 13.195 1127 1HD1 ILE 32 1HD1 ILE 32 4.404 -2.497 13.475 1128 2HD1 ILE 32 2HD1 ILE 32 5.148 -3.438 12.159 1129 3HD1 ILE 32 3HD1 ILE 32 5.046 -4.126 13.798 1130 H LYS 33 H LYS 33 7.697 -1.498 17.719 1131 HA LYS 33 HA LYS 33 6.776 1.005 18.517 1132 1HB LYS 33 1HB LYS 33 7.799 -1.450 19.784 1133 2HB LYS 33 2HB LYS 33 8.087 0.004 20.719 1134 1HG LYS 33 1HG LYS 33 5.355 -0.345 19.495 1135 2HG LYS 33 2HG LYS 33 5.760 -1.356 20.867 1136 1HD LYS 33 1HD LYS 33 6.448 0.757 22.124 1137 2HD LYS 33 2HD LYS 33 5.830 1.695 20.779 1138 1HE LYS 33 1HE LYS 33 3.798 -0.220 21.497 1139 2HE LYS 33 2HE LYS 33 4.359 0.529 22.979 1140 1HZ LYS 33 1HZ LYS 33 3.016 1.732 20.729 1141 2HZ LYS 33 2HZ LYS 33 2.891 2.072 22.322 1142 3HZ LYS 33 3HZ LYS 33 4.153 2.649 21.460 1143 H GLY 34 H GLY 34 10.119 -0.364 18.324 1144 1HA GLY 34 1HA GLY 34 11.368 2.004 19.300 1145 2HA GLY 34 2HA GLY 34 12.133 0.638 18.513 1146 H TYR 35 H TYR 35 10.447 0.728 16.069 1147 HA TYR 35 HA TYR 35 12.020 2.347 14.487 1148 1HB TYR 35 1HB TYR 35 10.111 0.405 14.184 1149 2HB TYR 35 2HB TYR 35 9.089 1.795 13.874 1150 HD1 TYR 35 HD1 TYR 35 11.250 -0.578 12.405 1151 HD2 TYR 35 HD2 TYR 35 10.028 3.509 12.077 1152 HE1 TYR 35 HE1 TYR 35 12.039 -0.529 9.989 1153 HE2 TYR 35 HE2 TYR 35 10.821 3.544 9.661 1154 HH TYR 35 HH TYR 35 11.207 1.997 7.873 1155 H ALA 36 H ALA 36 8.669 2.968 15.747 1156 HA ALA 36 HA ALA 36 8.384 5.466 14.558 1157 1HB ALA 36 1HB ALA 36 6.352 5.236 15.492 1158 2HB ALA 36 2HB ALA 36 6.929 3.737 16.259 1159 3HB ALA 36 3HB ALA 36 7.049 5.285 17.129 1160 H ASN 37 H ASN 37 9.904 4.418 17.640 1161 HA ASN 37 HA ASN 37 10.207 7.002 18.643 1162 1HB ASN 37 1HB ASN 37 10.426 4.699 19.858 1163 2HB ASN 37 2HB ASN 37 12.059 4.643 19.225 1164 1HD2 ASN 37 1HD2 ASN 37 13.540 5.303 20.563 1165 2HD2 ASN 37 2HD2 ASN 37 13.398 6.530 21.777 1166 H LEU 38 H LEU 38 11.963 4.972 16.322 1167 HA LEU 38 HA LEU 38 14.402 6.457 16.463 1168 1HB LEU 38 1HB LEU 38 13.343 4.109 15.062 1169 2HB LEU 38 2HB LEU 38 14.433 5.076 14.088 1170 HG LEU 38 HG LEU 38 15.458 4.588 16.792 1171 1HD1 LEU 38 1HD1 LEU 38 15.544 2.334 16.908 1172 2HD1 LEU 38 2HD1 LEU 38 14.054 2.456 15.942 1173 3HD1 LEU 38 3HD1 LEU 38 15.610 2.130 15.140 1174 1HD2 LEU 38 1HD2 LEU 38 16.517 5.367 14.433 1175 2HD2 LEU 38 2HD2 LEU 38 17.458 4.628 15.752 1176 3HD2 LEU 38 3HD2 LEU 38 16.898 3.628 14.390 1177 H VAL 39 H VAL 39 11.320 6.662 14.742 1178 HA VAL 39 HA VAL 39 12.146 8.188 12.568 1179 HB VAL 39 HB VAL 39 9.561 7.946 14.098 1180 1HG1 VAL 39 1HG1 VAL 39 8.774 9.790 13.120 1181 2HG1 VAL 39 2HG1 VAL 39 10.301 10.025 12.236 1182 3HG1 VAL 39 3HG1 VAL 39 9.016 9.010 11.538 1183 1HG2 VAL 39 1HG2 VAL 39 8.838 6.672 12.136 1184 2HG2 VAL 39 2HG2 VAL 39 10.413 6.955 11.356 1185 3HG2 VAL 39 3HG2 VAL 39 10.317 5.971 12.836 1186 H ASN 40 H ASN 40 11.066 9.141 15.888 1187 HA ASN 40 HA ASN 40 11.342 11.880 15.330 1188 1HB ASN 40 1HB ASN 40 11.388 11.905 18.001 1189 2HB ASN 40 2HB ASN 40 9.911 11.489 17.153 1190 1HD2 ASN 40 1HD2 ASN 40 12.377 10.465 19.269 1191 2HD2 ASN 40 2HD2 ASN 40 11.868 8.831 19.532 1192 H LEU 41 H LEU 41 13.582 9.353 15.723 1193 HA LEU 41 HA LEU 41 15.545 10.858 17.209 1194 1HB LEU 41 1HB LEU 41 15.012 8.242 17.069 1195 2HB LEU 41 2HB LEU 41 16.208 8.331 15.791 1196 HG LEU 41 HG LEU 41 17.195 7.697 17.942 1197 1HD1 LEU 41 1HD1 LEU 41 18.305 9.268 16.128 1198 2HD1 LEU 41 2HD1 LEU 41 18.284 10.439 17.469 1199 3HD1 LEU 41 3HD1 LEU 41 19.128 8.884 17.659 1200 1HD2 LEU 41 1HD2 LEU 41 17.281 10.102 19.391 1201 2HD2 LEU 41 2HD2 LEU 41 15.577 9.873 18.930 1202 3HD2 LEU 41 3HD2 LEU 41 16.437 8.596 19.823 1203 H ILE 42 H ILE 42 14.759 9.962 13.836 1204 HA ILE 42 HA ILE 42 17.218 10.851 12.767 1205 HB ILE 42 HB ILE 42 14.602 10.709 11.293 1206 1HG1 ILE 42 1HG1 ILE 42 14.457 8.665 12.349 1207 2HG1 ILE 42 2HG1 ILE 42 15.353 8.251 10.901 1208 1HG2 ILE 42 1HG2 ILE 42 15.827 10.655 9.407 1209 2HG2 ILE 42 2HG2 ILE 42 17.070 11.420 10.426 1210 3HG2 ILE 42 3HG2 ILE 42 17.113 9.664 10.139 1211 1HD1 ILE 42 1HD1 ILE 42 17.451 8.878 12.498 1212 2HD1 ILE 42 2HD1 ILE 42 16.286 8.374 13.746 1213 3HD1 ILE 42 3HD1 ILE 42 16.743 7.246 12.447 1214 H GLU 43 H GLU 43 15.132 12.422 10.779 1215 HA GLU 43 HA GLU 43 14.639 14.762 12.251 1216 1HB GLU 43 1HB GLU 43 17.281 14.504 11.079 1217 2HB GLU 43 2HB GLU 43 16.416 15.792 10.265 1218 1HG GLU 43 1HG GLU 43 15.964 15.913 13.158 1219 2HG GLU 43 2HG GLU 43 17.679 15.921 12.801 1220 HA PRO 44 HA PRO 44 13.524 15.243 7.685 1221 1HB PRO 44 1HB PRO 44 14.602 13.600 5.785 1222 2HB PRO 44 2HB PRO 44 15.271 15.170 6.186 1223 1HG PRO 44 1HG PRO 44 16.277 12.486 6.911 1224 2HG PRO 44 2HG PRO 44 17.127 14.019 6.927 1225 1HD PRO 44 1HD PRO 44 16.090 12.609 9.199 1226 2HD PRO 44 2HD PRO 44 16.836 14.195 9.200 1227 H MET 45 H MET 45 11.821 14.256 9.152 1228 HA MET 45 HA MET 45 10.749 12.054 7.593 1229 1HB MET 45 1HB MET 45 11.825 11.844 10.245 1230 2HB MET 45 2HB MET 45 10.084 11.792 10.440 1231 1HG MET 45 1HG MET 45 11.668 10.017 8.518 1232 2HG MET 45 2HG MET 45 11.094 9.513 10.095 1233 1HE MET 45 1HE MET 45 9.241 7.744 9.798 1234 2HE MET 45 2HE MET 45 8.465 7.565 8.206 1235 3HE MET 45 3HE MET 45 10.240 7.597 8.332 1236 H LYS 46 H LYS 46 8.744 12.624 6.878 1237 HA LYS 46 HA LYS 46 7.445 14.905 7.959 1238 1HB LYS 46 1HB LYS 46 7.418 13.518 5.552 1239 2HB LYS 46 2HB LYS 46 5.834 13.183 6.223 1240 1HG LYS 46 1HG LYS 46 5.177 15.242 5.541 1241 2HG LYS 46 2HG LYS 46 6.244 15.931 6.748 1242 1HD LYS 46 1HD LYS 46 7.460 16.839 5.064 1243 2HD LYS 46 2HD LYS 46 7.969 15.221 4.623 1244 1HE LYS 46 1HE LYS 46 6.921 15.581 2.633 1245 2HE LYS 46 2HE LYS 46 5.416 15.360 3.503 1246 1HZ LYS 46 1HZ LYS 46 5.604 17.462 2.253 1247 2HZ LYS 46 2HZ LYS 46 5.255 17.673 3.834 1248 3HZ LYS 46 3HZ LYS 46 6.767 17.957 3.287 1249 H ALA 47 H ALA 47 5.925 11.665 7.451 1250 HA ALA 47 HA ALA 47 5.244 11.545 10.263 1251 1HB ALA 47 1HB ALA 47 2.769 11.103 9.313 1252 2HB ALA 47 2HB ALA 47 3.328 12.726 9.785 1253 3HB ALA 47 3HB ALA 47 3.330 12.247 8.071 1254 H PHE 48 H PHE 48 4.463 9.402 10.878 1255 HA PHE 48 HA PHE 48 5.280 7.408 8.895 1256 1HB PHE 48 1HB PHE 48 6.281 7.797 11.349 1257 2HB PHE 48 2HB PHE 48 4.806 7.023 11.893 1258 HD1 PHE 48 HD1 PHE 48 5.446 4.947 12.701 1259 HD2 PHE 48 HD2 PHE 48 6.962 6.238 8.954 1260 HE1 PHE 48 HE1 PHE 48 6.498 2.695 12.351 1261 HE2 PHE 48 HE2 PHE 48 8.014 3.987 8.604 1262 HZ PHE 48 HZ PHE 48 7.770 2.242 10.306 1263 H HIS 49 H HIS 49 3.757 6.094 8.006 1264 HA HIS 49 HA HIS 49 1.256 5.801 9.501 1265 1HB HIS 49 1HB HIS 49 1.665 7.019 6.926 1266 2HB HIS 49 2HB HIS 49 0.711 5.564 6.723 1267 HD1 HIS 49 HD1 HIS 49 0.168 8.996 7.122 1268 HD2 HIS 49 HD2 HIS 49 -1.435 5.626 9.037 1269 HE1 HIS 49 HE1 HIS 49 -2.045 9.743 8.150 1270 HE2 HIS 49 HE2 HIS 49 -3.009 7.616 9.266 1271 H TRP 50 H TRP 50 0.411 3.717 9.600 1272 HA TRP 50 HA TRP 50 1.669 1.686 7.930 1273 1HB TRP 50 1HB TRP 50 2.358 0.312 9.683 1274 2HB TRP 50 2HB TRP 50 2.970 1.906 10.077 1275 HD1 TRP 50 HD1 TRP 50 1.139 3.311 11.894 1276 HE1 TRP 50 HE1 TRP 50 0.009 2.419 14.106 1277 HE3 TRP 50 HE3 TRP 50 1.604 -1.625 10.766 1278 HZ2 TRP 50 HZ2 TRP 50 -0.551 -0.192 15.113 1279 HZ3 TRP 50 HZ3 TRP 50 0.740 -3.281 12.417 1280 HH2 TRP 50 HH2 TRP 50 -0.308 -2.633 14.529 1281 H GLY 51 H GLY 51 0.245 -0.083 7.538 1282 1HA GLY 51 1HA GLY 51 -2.416 0.125 8.802 1283 2HA GLY 51 2HA GLY 51 -2.240 0.004 7.063 1284 H LYS 52 H LYS 52 -3.449 -1.861 9.180 1285 HA LYS 52 HA LYS 52 -1.787 -4.209 8.586 1286 1HB LYS 52 1HB LYS 52 -2.579 -5.207 10.598 1287 2HB LYS 52 2HB LYS 52 -2.030 -3.593 10.999 1288 1HG LYS 52 1HG LYS 52 -4.142 -2.857 11.536 1289 2HG LYS 52 2HG LYS 52 -4.898 -3.731 10.219 1290 1HD LYS 52 1HD LYS 52 -3.988 -4.897 12.890 1291 2HD LYS 52 2HD LYS 52 -5.643 -4.686 12.353 1292 1HE LYS 52 1HE LYS 52 -4.693 -6.186 10.275 1293 2HE LYS 52 2HE LYS 52 -3.632 -6.760 11.547 1294 1HZ LYS 52 1HZ LYS 52 -5.346 -7.676 12.652 1295 2HZ LYS 52 2HZ LYS 52 -6.442 -6.558 12.188 1296 3HZ LYS 52 3HZ LYS 52 -6.007 -7.751 11.161 1297 H ASP 53 H ASP 53 -2.921 -6.203 8.013 1298 HA ASP 53 HA ASP 53 -4.863 -5.722 6.102 1299 1HB ASP 53 1HB ASP 53 -5.092 -8.236 6.079 1300 2HB ASP 53 2HB ASP 53 -3.436 -7.678 5.951 1301 H VAL 54 H VAL 54 -6.633 -4.578 7.195 1302 HA VAL 54 HA VAL 54 -7.915 -5.832 9.438 1303 HB VAL 54 HB VAL 54 -7.619 -3.282 8.624 1304 1HG1 VAL 54 1HG1 VAL 54 -10.453 -4.002 7.804 1305 2HG1 VAL 54 2HG1 VAL 54 -9.715 -2.382 7.800 1306 3HG1 VAL 54 3HG1 VAL 54 -9.128 -3.631 6.676 1307 1HG2 VAL 54 1HG2 VAL 54 -10.143 -3.782 10.112 1308 2HG2 VAL 54 2HG2 VAL 54 -8.670 -4.528 10.776 1309 3HG2 VAL 54 3HG2 VAL 54 -8.742 -2.767 10.530 1310 H SER 55 H SER 55 -9.473 -7.366 9.340 1311 HA SER 55 HA SER 55 -10.724 -8.903 8.391 1312 1HB SER 55 1HB SER 55 -12.205 -6.814 8.801 1313 2HB SER 55 2HB SER 55 -12.162 -6.573 7.066 1314 HG SER 55 HG SER 55 -13.319 -8.741 8.557 1315 H ILE 56 H ILE 56 -8.652 -9.322 6.952 1316 HA ILE 56 HA ILE 56 -9.261 -8.756 4.147 1317 HB ILE 56 HB ILE 56 -6.991 -8.310 5.452 1318 1HG1 ILE 56 1HG1 ILE 56 -5.833 -8.577 3.199 1319 2HG1 ILE 56 2HG1 ILE 56 -7.341 -9.229 2.590 1320 1HG2 ILE 56 1HG2 ILE 56 -6.587 -10.582 6.152 1321 2HG2 ILE 56 2HG2 ILE 56 -6.711 -11.164 4.474 1322 3HG2 ILE 56 3HG2 ILE 56 -5.360 -10.108 4.952 1323 1HD1 ILE 56 1HD1 ILE 56 -7.097 -6.756 2.196 1324 2HD1 ILE 56 2HD1 ILE 56 -8.539 -7.168 3.156 1325 3HD1 ILE 56 3HD1 ILE 56 -7.092 -6.512 3.959 1326 H GLU 57 H GLU 57 -9.984 -11.024 6.452 1327 HA GLU 57 HA GLU 57 -10.576 -13.114 6.431 1328 1HB GLU 57 1HB GLU 57 -11.122 -12.240 3.624 1329 2HB GLU 57 2HB GLU 57 -11.142 -13.971 3.900 1330 1HG GLU 57 1HG GLU 57 -12.636 -13.308 6.015 1331 2HG GLU 57 2HG GLU 57 -12.918 -11.838 5.104 1332 H ASN 58 H ASN 58 -9.316 -13.590 3.125 1333 HA ASN 58 HA ASN 58 -6.847 -14.627 4.155 1334 1HB ASN 58 1HB ASN 58 -8.875 -16.440 4.020 1335 2HB ASN 58 2HB ASN 58 -8.364 -16.507 2.345 1336 1HD2 ASN 58 1HD2 ASN 58 -7.735 -18.667 2.713 1337 2HD2 ASN 58 2HD2 ASN 58 -6.232 -19.066 3.475 1338 H LEU 59 H LEU 59 -6.435 -16.215 1.618 1339 HA LEU 59 HA LEU 59 -6.089 -15.968 -0.582 1340 1HB LEU 59 1HB LEU 59 -7.026 -13.116 -0.524 1341 2HB LEU 59 2HB LEU 59 -6.968 -14.228 -1.877 1342 HG LEU 59 HG LEU 59 -8.713 -15.122 0.322 1343 1HD1 LEU 59 1HD1 LEU 59 -10.520 -13.451 -0.617 1344 2HD1 LEU 59 2HD1 LEU 59 -9.435 -12.984 0.715 1345 3HD1 LEU 59 3HD1 LEU 59 -9.093 -12.438 -0.944 1346 1HD2 LEU 59 1HD2 LEU 59 -10.235 -15.089 -1.915 1347 2HD2 LEU 59 2HD2 LEU 59 -8.607 -15.162 -2.633 1348 3HD2 LEU 59 3HD2 LEU 59 -9.127 -16.412 -1.477 1349 H HIS 60 H HIS 60 -5.351 -13.059 1.440 1350 HA HIS 60 HA HIS 60 -3.255 -12.020 0.181 1351 1HB HIS 60 1HB HIS 60 -2.401 -11.313 2.336 1352 2HB HIS 60 2HB HIS 60 -4.150 -11.205 2.303 1353 HD1 HIS 60 HD1 HIS 60 -1.321 -12.939 4.022 1354 HD2 HIS 60 HD2 HIS 60 -5.512 -13.119 3.951 1355 HE1 HIS 60 HE1 HIS 60 -2.011 -14.328 6.048 1356 HE2 HIS 60 HE2 HIS 60 -4.598 -14.358 5.982 1357 H GLN 61 H GLN 61 -1.039 -12.411 -0.136 1358 HA GLN 61 HA GLN 61 -0.365 -15.161 -0.130 1359 1HB GLN 61 1HB GLN 61 0.407 -12.918 -1.591 1360 2HB GLN 61 2HB GLN 61 1.831 -13.242 -0.623 1361 1HG GLN 61 1HG GLN 61 1.988 -14.496 -2.724 1362 2HG GLN 61 2HG GLN 61 1.812 -15.625 -1.395 1363 1HE2 GLN 61 1HE2 GLN 61 -0.218 -13.671 -3.578 1364 2HE2 GLN 61 2HE2 GLN 61 -1.399 -14.889 -3.928 1365 H GLY 62 H GLY 62 -0.030 -12.504 2.096 1366 1HA GLY 62 1HA GLY 62 0.552 -13.326 4.363 1367 2HA GLY 62 2HA GLY 62 1.984 -14.030 3.638 1368 H TYR 63 H TYR 63 0.486 -10.852 2.809 1369 HA TYR 63 HA TYR 63 2.943 -9.516 2.864 1370 1HB TYR 63 1HB TYR 63 -0.030 -8.963 2.751 1371 2HB TYR 63 2HB TYR 63 0.964 -7.594 3.208 1372 HD1 TYR 63 HD1 TYR 63 2.653 -6.683 1.619 1373 HD2 TYR 63 HD2 TYR 63 -0.044 -9.806 0.490 1374 HE1 TYR 63 HE1 TYR 63 3.154 -6.238 -0.833 1375 HE2 TYR 63 HE2 TYR 63 0.465 -9.350 -1.959 1376 HH TYR 63 HH TYR 63 1.476 -6.839 -3.150 1377 H THR 64 H THR 64 0.317 -9.883 5.305 1378 HA THR 64 HA THR 64 0.382 -9.624 7.524 1379 HB THR 64 HB THR 64 3.272 -8.690 7.408 1380 HG1 THR 64 HG1 THR 64 3.808 -10.792 6.782 1381 1HG2 THR 64 1HG2 THR 64 1.540 -9.484 9.489 1382 2HG2 THR 64 2HG2 THR 64 2.503 -10.942 9.150 1383 3HG2 THR 64 3HG2 THR 64 3.317 -9.419 9.581 1384 H HIS 65 H HIS 65 2.514 -7.029 6.139 1385 HA HIS 65 HA HIS 65 0.481 -5.100 6.594 1386 1HB HIS 65 1HB HIS 65 2.959 -4.809 8.302 1387 2HB HIS 65 2HB HIS 65 1.533 -3.791 8.296 1388 HD1 HIS 65 HD1 HIS 65 2.601 -7.323 9.270 1389 HD2 HIS 65 HD2 HIS 65 -0.469 -4.569 10.035 1390 HE1 HIS 65 HE1 HIS 65 1.202 -8.318 11.157 1391 HE2 HIS 65 HE2 HIS 65 -0.636 -6.557 11.620 1392 H ILE 66 H ILE 66 1.663 -2.758 6.285 1393 HA ILE 66 HA ILE 66 3.903 -3.006 4.469 1394 HB ILE 66 HB ILE 66 2.758 -1.779 2.680 1395 1HG1 ILE 66 1HG1 ILE 66 0.035 -2.427 3.524 1396 2HG1 ILE 66 2HG1 ILE 66 0.802 -1.272 4.595 1397 1HG2 ILE 66 1HG2 ILE 66 1.155 -4.272 3.168 1398 2HG2 ILE 66 2HG2 ILE 66 1.881 -3.660 1.663 1399 3HG2 ILE 66 3HG2 ILE 66 2.916 -4.368 2.926 1400 1HD1 ILE 66 1HD1 ILE 66 0.721 0.382 3.037 1401 2HD1 ILE 66 2HD1 ILE 66 1.368 -0.682 1.766 1402 3HD1 ILE 66 3HD1 ILE 66 -0.375 -0.686 2.128 1403 H PHE 67 H PHE 67 5.205 -1.185 4.501 1404 HA PHE 67 HA PHE 67 4.319 0.875 6.375 1405 1HB PHE 67 1HB PHE 67 7.053 0.153 5.155 1406 2HB PHE 67 2HB PHE 67 6.813 1.341 6.420 1407 HD1 PHE 67 HD1 PHE 67 4.742 -0.290 8.002 1408 HD2 PHE 67 HD2 PHE 67 8.518 -1.289 6.343 1409 HE1 PHE 67 HE1 PHE 67 5.031 -2.079 9.738 1410 HE2 PHE 67 HE2 PHE 67 8.807 -3.078 8.079 1411 HZ PHE 67 HZ PHE 67 7.061 -3.452 9.756 1412 H GLU 68 H GLU 68 3.933 2.954 5.722 1413 HA GLU 68 HA GLU 68 4.692 3.553 2.969 1414 1HB GLU 68 1HB GLU 68 2.257 4.438 4.571 1415 2HB GLU 68 2HB GLU 68 2.708 5.172 3.045 1416 1HG GLU 68 1HG GLU 68 2.802 2.519 2.342 1417 2HG GLU 68 2HG GLU 68 1.568 2.460 3.585 1418 H SER 69 H SER 69 6.408 4.938 2.934 1419 HA SER 69 HA SER 69 6.573 6.843 5.126 1420 1HB SER 69 1HB SER 69 8.545 5.446 4.965 1421 2HB SER 69 2HB SER 69 8.673 5.709 3.237 1422 HG SER 69 HG SER 69 8.681 8.085 4.729 1423 H THR 70 H THR 70 6.448 9.052 4.710 1424 HA THR 70 HA THR 70 6.100 9.790 1.884 1425 HB THR 70 HB THR 70 5.083 10.987 4.512 1426 HG1 THR 70 HG1 THR 70 3.777 9.264 3.824 1427 1HG2 THR 70 1HG2 THR 70 5.503 12.305 1.986 1428 2HG2 THR 70 2HG2 THR 70 3.762 11.964 2.124 1429 3HG2 THR 70 3HG2 THR 70 4.586 12.910 3.386 1430 H PHE 71 H PHE 71 7.585 10.989 0.877 1431 HA PHE 71 HA PHE 71 9.370 12.568 2.584 1432 1HB PHE 71 1HB PHE 71 9.871 10.490 0.424 1433 2HB PHE 71 2HB PHE 71 10.978 11.847 0.494 1434 HD1 PHE 71 HD1 PHE 71 10.153 8.661 1.854 1435 HD2 PHE 71 HD2 PHE 71 12.155 12.298 2.731 1436 HE1 PHE 71 HE1 PHE 71 11.450 7.509 3.669 1437 HE2 PHE 71 HE2 PHE 71 13.452 11.147 4.545 1438 HZ PHE 71 HZ PHE 71 13.084 8.766 4.992 1439 H GLU 72 H GLU 72 10.281 14.476 1.557 1440 HA GLU 72 HA GLU 72 8.719 15.251 -0.784 1441 1HB GLU 72 1HB GLU 72 8.221 16.514 1.344 1442 2HB GLU 72 2HB GLU 72 9.881 17.074 1.368 1443 1HG GLU 72 1HG GLU 72 9.595 18.466 -0.499 1444 2HG GLU 72 2HG GLU 72 8.300 17.492 -1.165 1445 H SER 73 H SER 73 10.997 13.760 -1.259 1446 HA SER 73 HA SER 73 12.366 15.170 -3.045 1447 1HB SER 73 1HB SER 73 13.434 15.698 -0.300 1448 2HB SER 73 2HB SER 73 14.631 15.362 -1.535 1449 HG SER 73 HG SER 73 13.108 17.637 -1.142 1450 H LYS 74 H LYS 74 12.883 13.372 -4.238 1451 HA LYS 74 HA LYS 74 13.220 10.844 -3.175 1452 1HB LYS 74 1HB LYS 74 14.104 10.268 -5.420 1453 2HB LYS 74 2HB LYS 74 12.604 11.171 -5.472 1454 1HG LYS 74 1HG LYS 74 14.543 13.192 -5.485 1455 2HG LYS 74 2HG LYS 74 15.289 11.934 -6.450 1456 1HD LYS 74 1HD LYS 74 12.399 12.711 -6.954 1457 2HD LYS 74 2HD LYS 74 13.694 13.693 -7.611 1458 1HE LYS 74 1HE LYS 74 14.203 12.149 -9.217 1459 2HE LYS 74 2HE LYS 74 14.155 10.818 -8.078 1460 1HZ LYS 74 1HZ LYS 74 12.416 10.647 -9.708 1461 2HZ LYS 74 2HZ LYS 74 11.758 10.853 -8.227 1462 3HZ LYS 74 3HZ LYS 74 11.799 12.098 -9.283 1463 H GLU 75 H GLU 75 15.525 13.515 -3.645 1464 HA GLU 75 HA GLU 75 17.823 11.962 -3.380 1465 1HB GLU 75 1HB GLU 75 17.258 14.913 -2.898 1466 2HB GLU 75 2HB GLU 75 18.865 14.233 -2.738 1467 1HG GLU 75 1HG GLU 75 18.049 13.212 -5.198 1468 2HG GLU 75 2HG GLU 75 17.287 14.790 -5.190 1469 H ALA 76 H ALA 76 15.640 13.574 -1.034 1470 HA ALA 76 HA ALA 76 17.276 13.340 1.212 1471 1HB ALA 76 1HB ALA 76 14.246 13.348 0.911 1472 2HB ALA 76 2HB ALA 76 15.119 13.583 2.444 1473 3HB ALA 76 3HB ALA 76 15.296 14.768 1.128 1474 H VAL 77 H VAL 77 14.934 11.082 -0.341 1475 HA VAL 77 HA VAL 77 14.820 9.164 1.615 1476 HB VAL 77 HB VAL 77 14.821 8.914 -1.398 1477 1HG1 VAL 77 1HG1 VAL 77 15.323 6.754 -0.223 1478 2HG1 VAL 77 2HG1 VAL 77 13.760 6.907 0.615 1479 3HG1 VAL 77 3HG1 VAL 77 13.808 6.746 -1.157 1480 1HG2 VAL 77 1HG2 VAL 77 12.266 8.610 -0.768 1481 2HG2 VAL 77 2HG2 VAL 77 12.745 9.545 0.669 1482 3HG2 VAL 77 3HG2 VAL 77 12.985 10.227 -0.958 1483 H ALA 78 H ALA 78 17.290 9.635 -0.984 1484 HA ALA 78 HA ALA 78 18.765 7.352 -0.507 1485 1HB ALA 78 1HB ALA 78 20.627 9.274 -1.228 1486 2HB ALA 78 2HB ALA 78 19.611 8.345 -2.356 1487 3HB ALA 78 3HB ALA 78 19.099 9.965 -1.825 1488 H GLU 79 H GLU 79 18.996 10.636 1.007 1489 HA GLU 79 HA GLU 79 21.190 10.109 2.559 1490 1HB GLU 79 1HB GLU 79 19.471 12.245 2.173 1491 2HB GLU 79 2HB GLU 79 19.122 11.813 3.835 1492 1HG GLU 79 1HG GLU 79 21.809 11.702 3.998 1493 2HG GLU 79 2HG GLU 79 21.707 12.789 2.627 1494 H TYR 80 H TYR 80 17.726 9.342 3.067 1495 HA TYR 80 HA TYR 80 18.058 8.535 5.773 1496 1HB TYR 80 1HB TYR 80 15.931 9.303 4.561 1497 2HB TYR 80 2HB TYR 80 16.004 7.857 3.575 1498 HD1 TYR 80 HD1 TYR 80 16.559 8.227 7.260 1499 HD2 TYR 80 HD2 TYR 80 14.090 6.638 4.149 1500 HE1 TYR 80 HE1 TYR 80 15.177 6.974 8.987 1501 HE2 TYR 80 HE2 TYR 80 12.716 5.390 5.886 1502 HH TYR 80 HH TYR 80 12.466 6.075 8.814 1503 H ILE 81 H ILE 81 17.805 6.791 2.604 1504 HA ILE 81 HA ILE 81 17.986 4.234 3.758 1505 HB ILE 81 HB ILE 81 18.616 5.185 0.961 1506 1HG1 ILE 81 1HG1 ILE 81 16.318 5.723 1.821 1507 2HG1 ILE 81 2HG1 ILE 81 16.362 4.708 0.394 1508 1HG2 ILE 81 1HG2 ILE 81 18.092 2.401 2.036 1509 2HG2 ILE 81 2HG2 ILE 81 18.177 2.838 0.313 1510 3HG2 ILE 81 3HG2 ILE 81 19.614 3.018 1.349 1511 1HD1 ILE 81 1HD1 ILE 81 14.844 4.090 2.527 1512 2HD1 ILE 81 2HD1 ILE 81 15.597 2.829 1.521 1513 3HD1 ILE 81 3HD1 ILE 81 16.355 3.313 3.057 1514 H ALA 82 H ALA 82 20.340 6.743 3.003 1515 HA ALA 82 HA ALA 82 22.554 4.887 3.112 1516 1HB ALA 82 1HB ALA 82 23.851 6.698 2.403 1517 2HB ALA 82 2HB ALA 82 22.270 7.065 1.672 1518 3HB ALA 82 3HB ALA 82 22.776 7.897 3.162 1519 H HIS 83 H HIS 83 20.529 6.647 5.289 1520 HA HIS 83 HA HIS 83 22.308 7.408 7.245 1521 1HB HIS 83 1HB HIS 83 19.646 7.590 6.907 1522 2HB HIS 83 2HB HIS 83 19.677 6.285 8.076 1523 HD1 HIS 83 HD1 HIS 83 20.402 6.843 10.503 1524 HD2 HIS 83 HD2 HIS 83 20.562 10.113 7.880 1525 HE1 HIS 83 HE1 HIS 83 20.712 8.914 11.960 1526 HE2 HIS 83 HE2 HIS 83 20.858 10.885 10.290 1527 HA PRO 84 HA PRO 84 23.722 3.630 8.825 1528 1HB PRO 84 1HB PRO 84 24.835 4.491 11.168 1529 2HB PRO 84 2HB PRO 84 25.648 4.610 9.620 1530 1HG PRO 84 1HG PRO 84 24.357 6.746 11.205 1531 2HG PRO 84 2HG PRO 84 25.520 6.896 9.902 1532 1HD PRO 84 1HD PRO 84 22.694 7.360 9.743 1533 2HD PRO 84 2HD PRO 84 23.838 7.397 8.416 1534 H ALA 85 H ALA 85 22.000 5.655 11.138 1535 HA ALA 85 HA ALA 85 21.330 3.598 12.877 1536 1HB ALA 85 1HB ALA 85 21.141 6.058 13.297 1537 2HB ALA 85 2HB ALA 85 19.738 6.104 12.201 1538 3HB ALA 85 3HB ALA 85 19.659 5.163 13.710 1539 H HIS 86 H HIS 86 19.954 4.631 9.752 1540 HA HIS 86 HA HIS 86 17.591 3.087 10.060 1541 1HB HIS 86 1HB HIS 86 17.753 5.111 8.644 1542 2HB HIS 86 2HB HIS 86 18.859 4.272 7.574 1543 HD1 HIS 86 HD1 HIS 86 16.670 1.647 8.311 1544 HD2 HIS 86 HD2 HIS 86 16.224 5.172 6.081 1545 HE1 HIS 86 HE1 HIS 86 14.707 1.249 6.729 1546 HE2 HIS 86 HE2 HIS 86 14.447 3.468 5.424 1547 H VAL 87 H VAL 87 20.742 2.679 8.328 1548 HA VAL 87 HA VAL 87 20.117 0.221 7.170 1549 HB VAL 87 HB VAL 87 22.562 1.796 7.789 1550 1HG1 VAL 87 1HG1 VAL 87 23.953 -0.088 6.779 1551 2HG1 VAL 87 2HG1 VAL 87 23.418 -0.310 8.463 1552 3HG1 VAL 87 3HG1 VAL 87 22.581 -1.162 7.143 1553 1HG2 VAL 87 1HG2 VAL 87 22.640 0.739 5.193 1554 2HG2 VAL 87 2HG2 VAL 87 20.923 1.097 5.495 1555 3HG2 VAL 87 3HG2 VAL 87 22.144 2.379 5.673 1556 H GLU 88 H GLU 88 21.450 1.125 10.386 1557 HA GLU 88 HA GLU 88 22.167 -1.409 11.174 1558 1HB GLU 88 1HB GLU 88 22.552 0.929 12.290 1559 2HB GLU 88 2HB GLU 88 21.016 0.647 13.086 1560 1HG GLU 88 1HG GLU 88 22.356 -1.785 13.452 1561 2HG GLU 88 2HG GLU 88 23.648 -0.608 13.584 1562 H PHE 89 H PHE 89 19.023 0.355 11.496 1563 HA PHE 89 HA PHE 89 17.781 -1.825 12.844 1564 1HB PHE 89 1HB PHE 89 17.356 0.908 12.414 1565 2HB PHE 89 2HB PHE 89 16.180 0.211 11.317 1566 HD1 PHE 89 HD1 PHE 89 17.336 -0.306 14.837 1567 HD2 PHE 89 HD2 PHE 89 14.060 -0.092 12.149 1568 HE1 PHE 89 HE1 PHE 89 15.745 -0.635 16.750 1569 HE2 PHE 89 HE2 PHE 89 12.469 -0.422 14.062 1570 HZ PHE 89 HZ PHE 89 13.330 -0.689 16.339 1571 H ALA 90 H ALA 90 17.837 -0.538 9.470 1572 HA ALA 90 HA ALA 90 15.861 -2.229 8.459 1573 1HB ALA 90 1HB ALA 90 18.260 -1.226 6.903 1574 2HB ALA 90 2HB ALA 90 16.586 -1.455 6.344 1575 3HB ALA 90 3HB ALA 90 16.978 -0.122 7.456 1576 H THR 91 H THR 91 19.434 -2.599 8.819 1577 HA THR 91 HA THR 91 19.660 -5.012 7.435 1578 HB THR 91 HB THR 91 21.245 -3.781 9.750 1579 HG1 THR 91 HG1 THR 91 22.493 -3.082 7.858 1580 1HG2 THR 91 1HG2 THR 91 22.137 -5.855 7.682 1581 2HG2 THR 91 2HG2 THR 91 23.108 -5.186 9.015 1582 3HG2 THR 91 3HG2 THR 91 21.737 -6.264 9.367 1583 H ILE 92 H ILE 92 18.896 -4.340 10.893 1584 HA ILE 92 HA ILE 92 18.920 -7.039 11.657 1585 HB ILE 92 HB ILE 92 17.874 -4.481 12.781 1586 1HG1 ILE 92 1HG1 ILE 92 19.776 -6.581 13.862 1587 2HG1 ILE 92 2HG1 ILE 92 20.263 -5.142 12.988 1588 1HG2 ILE 92 1HG2 ILE 92 16.124 -5.566 13.687 1589 2HG2 ILE 92 2HG2 ILE 92 16.844 -7.173 13.430 1590 3HG2 ILE 92 3HG2 ILE 92 17.347 -6.185 14.822 1591 1HD1 ILE 92 1HD1 ILE 92 18.964 -5.339 15.721 1592 2HD1 ILE 92 2HD1 ILE 92 20.457 -4.491 15.253 1593 3HD1 ILE 92 3HD1 ILE 92 18.873 -3.830 14.781 1594 H PHE 93 H PHE 93 16.474 -4.923 10.146 1595 HA PHE 93 HA PHE 93 14.301 -6.660 10.597 1596 1HB PHE 93 1HB PHE 93 14.561 -4.103 9.840 1597 2HB PHE 93 2HB PHE 93 14.682 -4.768 8.224 1598 HD1 PHE 93 HD1 PHE 93 12.495 -3.129 10.125 1599 HD2 PHE 93 HD2 PHE 93 12.719 -6.848 8.092 1600 HE1 PHE 93 HE1 PHE 93 9.991 -3.192 9.963 1601 HE2 PHE 93 HE2 PHE 93 10.215 -6.910 7.931 1602 HZ PHE 93 HZ PHE 93 8.881 -5.082 8.868 1603 H LEU 94 H LEU 94 16.427 -6.064 7.710 1604 HA LEU 94 HA LEU 94 15.209 -7.909 6.047 1605 1HB LEU 94 1HB LEU 94 18.066 -6.939 6.163 1606 2HB LEU 94 2HB LEU 94 17.400 -7.888 4.849 1607 HG LEU 94 HG LEU 94 16.062 -5.313 5.623 1608 1HD1 LEU 94 1HD1 LEU 94 17.517 -3.987 4.297 1609 2HD1 LEU 94 2HD1 LEU 94 18.542 -4.903 5.428 1610 3HD1 LEU 94 3HD1 LEU 94 18.416 -5.414 3.727 1611 1HD2 LEU 94 1HD2 LEU 94 15.334 -5.278 3.356 1612 2HD2 LEU 94 2HD2 LEU 94 16.449 -6.591 2.908 1613 3HD2 LEU 94 3HD2 LEU 94 15.063 -6.925 3.975 1614 H GLY 95 H GLY 95 17.340 -8.335 8.822 1615 1HA GLY 95 1HA GLY 95 18.402 -10.855 8.262 1616 2HA GLY 95 2HA GLY 95 18.116 -10.175 9.851 1617 H SER 96 H SER 96 15.186 -9.824 9.491 1618 HA SER 96 HA SER 96 14.442 -12.644 9.422 1619 1HB SER 96 1HB SER 96 12.614 -11.782 11.144 1620 2HB SER 96 2HB SER 96 14.217 -12.228 11.695 1621 HG SER 96 HG SER 96 14.496 -10.226 12.374 1622 H LEU 97 H LEU 97 14.365 -10.933 7.142 1623 HA LEU 97 HA LEU 97 11.480 -10.427 6.912 1624 1HB LEU 97 1HB LEU 97 13.306 -8.522 6.765 1625 2HB LEU 97 2HB LEU 97 13.475 -9.112 5.124 1626 HG LEU 97 HG LEU 97 10.880 -8.155 6.363 1627 1HD1 LEU 97 1HD1 LEU 97 12.881 -6.759 4.578 1628 2HD1 LEU 97 2HD1 LEU 97 11.194 -6.220 4.761 1629 3HD1 LEU 97 3HD1 LEU 97 12.276 -6.254 6.174 1630 1HD2 LEU 97 1HD2 LEU 97 11.586 -9.107 3.584 1631 2HD2 LEU 97 2HD2 LEU 97 10.324 -9.716 4.683 1632 3HD2 LEU 97 3HD2 LEU 97 10.151 -8.112 3.930 1633 H ASP 98 H ASP 98 10.373 -11.624 5.440 1634 HA ASP 98 HA ASP 98 11.790 -13.671 4.117 1635 1HB ASP 98 1HB ASP 98 9.274 -13.486 5.037 1636 2HB ASP 98 2HB ASP 98 8.949 -12.921 3.410 1637 H LYS 99 H LYS 99 9.537 -11.045 2.939 1638 HA LYS 99 HA LYS 99 11.334 -10.533 0.722 1639 1HB LYS 99 1HB LYS 99 9.471 -10.734 -0.928 1640 2HB LYS 99 2HB LYS 99 10.009 -12.259 -0.256 1641 1HG LYS 99 1HG LYS 99 8.111 -12.283 1.326 1642 2HG LYS 99 2HG LYS 99 7.606 -10.692 0.793 1643 1HD LYS 99 1HD LYS 99 7.892 -12.496 -1.496 1644 2HD LYS 99 2HD LYS 99 6.818 -13.191 -0.298 1645 1HE LYS 99 1HE LYS 99 5.627 -10.890 -0.238 1646 2HE LYS 99 2HE LYS 99 6.554 -10.480 -1.667 1647 1HZ LYS 99 1HZ LYS 99 5.607 -12.810 -2.396 1648 2HZ LYS 99 2HZ LYS 99 4.407 -12.379 -1.376 1649 3HZ LYS 99 3HZ LYS 99 4.787 -11.420 -2.643 1650 H VAL 100 H VAL 100 11.047 -8.426 -0.186 1651 HA VAL 100 HA VAL 100 8.935 -6.783 0.888 1652 HB VAL 100 HB VAL 100 10.279 -6.387 2.696 1653 1HG1 VAL 100 1HG1 VAL 100 12.804 -6.122 2.508 1654 2HG1 VAL 100 2HG1 VAL 100 12.160 -7.757 2.221 1655 3HG1 VAL 100 3HG1 VAL 100 12.651 -6.739 0.845 1656 1HG2 VAL 100 1HG2 VAL 100 9.949 -4.324 1.012 1657 2HG2 VAL 100 2HG2 VAL 100 10.796 -4.170 2.570 1658 3HG2 VAL 100 3HG2 VAL 100 11.728 -4.355 1.065 1659 H LEU 101 H LEU 101 8.333 -5.263 -0.608 1660 HA LEU 101 HA LEU 101 10.263 -4.697 -2.739 1661 1HB LEU 101 1HB LEU 101 7.364 -5.474 -3.076 1662 2HB LEU 101 2HB LEU 101 8.351 -4.773 -4.343 1663 HG LEU 101 HG LEU 101 8.331 -7.087 -4.755 1664 1HD1 LEU 101 1HD1 LEU 101 10.533 -7.406 -5.062 1665 2HD1 LEU 101 2HD1 LEU 101 10.679 -5.767 -4.385 1666 3HD1 LEU 101 3HD1 LEU 101 10.917 -7.186 -3.338 1667 1HD2 LEU 101 1HD2 LEU 101 7.921 -8.620 -3.206 1668 2HD2 LEU 101 2HD2 LEU 101 9.439 -8.236 -2.359 1669 3HD2 LEU 101 3HD2 LEU 101 7.952 -7.336 -1.974 1670 H VAL 102 H VAL 102 10.322 -2.561 -3.419 1671 HA VAL 102 HA VAL 102 8.690 -0.756 -1.800 1672 HB VAL 102 HB VAL 102 10.346 0.900 -2.289 1673 1HG1 VAL 102 1HG1 VAL 102 12.480 -0.451 -1.551 1674 2HG1 VAL 102 2HG1 VAL 102 11.090 -0.289 -0.451 1675 3HG1 VAL 102 3HG1 VAL 102 11.322 -1.791 -1.377 1676 1HG2 VAL 102 1HG2 VAL 102 11.482 -1.136 -4.228 1677 2HG2 VAL 102 2HG2 VAL 102 10.865 0.495 -4.584 1678 3HG2 VAL 102 3HG2 VAL 102 12.378 0.297 -3.669 1679 H ILE 103 H ILE 103 6.904 0.125 -2.692 1680 HA ILE 103 HA ILE 103 6.966 0.598 -5.584 1681 HB ILE 103 HB ILE 103 4.602 -0.498 -4.061 1682 1HG1 ILE 103 1HG1 ILE 103 6.478 -2.131 -4.225 1683 2HG1 ILE 103 2HG1 ILE 103 5.019 -2.630 -5.058 1684 1HG2 ILE 103 1HG2 ILE 103 3.909 -0.959 -6.534 1685 2HG2 ILE 103 2HG2 ILE 103 3.686 0.661 -5.833 1686 3HG2 ILE 103 3HG2 ILE 103 5.069 0.339 -6.905 1687 1HD1 ILE 103 1HD1 ILE 103 5.941 -1.988 -7.223 1688 2HD1 ILE 103 2HD1 ILE 103 7.356 -1.241 -6.444 1689 3HD1 ILE 103 3HD1 ILE 103 7.137 -3.006 -6.386 1690 H ASP 104 H ASP 104 6.039 2.541 -6.259 1691 HA ASP 104 HA ASP 104 5.352 4.289 -4.041 1692 1HB ASP 104 1HB ASP 104 7.245 5.008 -5.477 1693 2HB ASP 104 2HB ASP 104 6.233 4.894 -6.903 1694 H TYR 105 H TYR 105 3.263 5.221 -3.987 1695 HA TYR 105 HA TYR 105 1.595 4.852 -6.376 1696 1HB TYR 105 1HB TYR 105 0.788 3.155 -4.896 1697 2HB TYR 105 2HB TYR 105 1.309 4.027 -3.468 1698 HD1 TYR 105 HD1 TYR 105 -0.621 4.098 -2.131 1699 HD2 TYR 105 HD2 TYR 105 -0.878 5.253 -6.243 1700 HE1 TYR 105 HE1 TYR 105 -3.002 4.909 -1.763 1701 HE2 TYR 105 HE2 TYR 105 -3.258 6.060 -5.860 1702 HH TYR 105 HH TYR 105 -4.498 6.940 -3.480 1703 H LYS 106 H LYS 106 0.862 6.790 -7.078 1704 HA LYS 106 HA LYS 106 0.595 8.905 -5.060 1705 1HB LYS 106 1HB LYS 106 1.756 8.827 -7.750 1706 2HB LYS 106 2HB LYS 106 0.600 10.129 -7.551 1707 1HG LYS 106 1HG LYS 106 2.029 10.237 -5.157 1708 2HG LYS 106 2HG LYS 106 3.267 9.770 -6.306 1709 1HD LYS 106 1HD LYS 106 3.379 11.899 -7.070 1710 2HD LYS 106 2HD LYS 106 1.700 11.819 -7.567 1711 1HE LYS 106 1HE LYS 106 1.399 12.168 -4.849 1712 2HE LYS 106 2HE LYS 106 2.897 13.038 -5.117 1713 1HZ LYS 106 1HZ LYS 106 0.275 13.550 -6.282 1714 2HZ LYS 106 2HZ LYS 106 1.290 14.592 -5.539 1715 3HZ LYS 106 3HZ LYS 106 1.618 14.072 -7.052 1716 HA PRO 107 HA PRO 107 -3.642 8.967 -5.880 1717 1HB PRO 107 1HB PRO 107 -4.305 11.513 -5.143 1718 2HB PRO 107 2HB PRO 107 -4.065 10.214 -3.992 1719 1HG PRO 107 1HG PRO 107 -2.276 12.480 -4.627 1720 2HG PRO 107 2HG PRO 107 -2.267 11.435 -3.220 1721 1HD PRO 107 1HD PRO 107 -0.468 11.325 -5.452 1722 2HD PRO 107 2HD PRO 107 -0.533 10.209 -4.103 1723 H THR 108 H THR 108 -3.673 8.524 -8.098 1724 HA THR 108 HA THR 108 -4.089 10.996 -9.648 1725 HB THR 108 HB THR 108 -2.563 8.432 -10.279 1726 HG1 THR 108 HG1 THR 108 -1.451 10.300 -9.371 1727 1HG2 THR 108 1HG2 THR 108 -2.716 8.787 -12.558 1728 2HG2 THR 108 2HG2 THR 108 -4.264 9.563 -12.144 1729 3HG2 THR 108 3HG2 THR 108 -2.802 10.554 -12.366 1730 H SER 109 H SER 109 -6.354 10.841 -9.019 1731 HA SER 109 HA SER 109 -7.732 8.518 -9.976 1732 1HB SER 109 1HB SER 109 -9.772 9.970 -9.206 1733 2HB SER 109 2HB SER 109 -8.692 9.312 -7.992 1734 HG SER 109 HG SER 109 -8.997 11.495 -7.489 1735 H VAL 110 H VAL 110 -9.667 8.778 -11.479 1736 HA VAL 110 HA VAL 110 -8.905 10.572 -13.640 1737 HB VAL 110 HB VAL 110 -10.767 8.204 -13.431 1738 1HG1 VAL 110 1HG1 VAL 110 -11.751 9.798 -14.988 1739 2HG1 VAL 110 2HG1 VAL 110 -10.197 9.963 -15.841 1740 3HG1 VAL 110 3HG1 VAL 110 -11.073 8.414 -15.879 1741 1HG2 VAL 110 1HG2 VAL 110 -8.368 7.671 -13.448 1742 2HG2 VAL 110 2HG2 VAL 110 -9.163 7.132 -14.946 1743 3HG2 VAL 110 3HG2 VAL 110 -8.166 8.607 -14.948 1744 H SER 111 H SER 111 -10.295 12.157 -14.508 1745 HA SER 111 HA SER 111 -12.029 13.288 -12.607 1746 1HB SER 111 1HB SER 111 -12.559 14.524 -15.080 1747 2HB SER 111 2HB SER 111 -11.435 15.075 -13.854 1748 HG SER 111 HG SER 111 -9.727 14.257 -14.962 1749 H LEU 112 H LEU 112 -14.224 12.988 -12.333 1750 HA LEU 112 HA LEU 112 -15.522 11.161 -14.180 1751 1HB LEU 112 1HB LEU 112 -16.553 12.292 -11.580 1752 2HB LEU 112 2HB LEU 112 -17.204 10.940 -12.485 1753 HG LEU 112 HG LEU 112 -14.437 10.943 -11.256 1754 1HD1 LEU 112 1HD1 LEU 112 -16.071 11.212 -9.477 1755 2HD1 LEU 112 2HD1 LEU 112 -17.017 9.842 -10.108 1756 3HD1 LEU 112 3HD1 LEU 112 -15.386 9.569 -9.450 1757 1HD2 LEU 112 1HD2 LEU 112 -14.404 9.301 -12.883 1758 2HD2 LEU 112 2HD2 LEU 112 -14.920 8.392 -11.442 1759 3HD2 LEU 112 3HD2 LEU 112 -16.121 8.888 -12.658 Start of MODEL 8 1 1H GLY 1 1H GLY 1 -11.734 21.848 16.908 2 1HA GLY 1 1HA GLY 1 -14.503 21.171 16.400 3 2HA GLY 1 2HA GLY 1 -13.441 19.794 16.616 4 H SER 2 H SER 2 -13.995 19.040 18.649 5 HA SER 2 HA SER 2 -13.126 20.620 20.831 6 1HB SER 2 1HB SER 2 -15.517 21.436 20.355 7 2HB SER 2 2HB SER 2 -16.070 19.840 20.822 8 HG SER 2 HG SER 2 -14.441 20.556 22.791 9 H HIS 3 H HIS 3 -15.412 17.893 20.036 10 HA HIS 3 HA HIS 3 -13.572 16.011 21.138 11 1HB HIS 3 1HB HIS 3 -16.226 16.404 22.548 12 2HB HIS 3 2HB HIS 3 -15.044 15.156 22.890 13 HD1 HIS 3 HD1 HIS 3 -12.824 15.888 24.114 14 HD2 HIS 3 HD2 HIS 3 -15.664 18.937 23.634 15 HE1 HIS 3 HE1 HIS 3 -12.099 17.789 25.655 16 HE2 HIS 3 HE2 HIS 3 -13.852 19.654 25.275 17 H MET 4 H MET 4 -14.091 13.842 20.505 18 HA MET 4 HA MET 4 -16.565 13.241 19.336 19 1HB MET 4 1HB MET 4 -14.451 14.401 17.628 20 2HB MET 4 2HB MET 4 -14.897 12.799 17.075 21 1HG MET 4 1HG MET 4 -16.878 13.551 16.245 22 2HG MET 4 2HG MET 4 -17.300 14.308 17.768 23 1HE MET 4 1HE MET 4 -15.918 15.718 13.950 24 2HE MET 4 2HE MET 4 -14.348 15.751 14.787 25 3HE MET 4 3HE MET 4 -15.308 14.253 14.755 26 H GLU 5 H GLU 5 -16.373 11.002 18.097 27 HA GLU 5 HA GLU 5 -14.931 9.326 19.865 28 1HB GLU 5 1HB GLU 5 -17.200 9.076 18.243 29 2HB GLU 5 2HB GLU 5 -16.031 8.036 17.453 30 1HG GLU 5 1HG GLU 5 -15.629 6.801 19.539 31 2HG GLU 5 2HG GLU 5 -16.627 7.920 20.446 32 H GLU 6 H GLU 6 -13.597 7.399 18.876 33 HA GLU 6 HA GLU 6 -11.556 8.647 17.298 34 1HB GLU 6 1HB GLU 6 -11.670 6.595 19.289 35 2HB GLU 6 2HB GLU 6 -11.049 5.843 17.833 36 1HG GLU 6 1HG GLU 6 -9.094 7.060 17.869 37 2HG GLU 6 2HG GLU 6 -9.889 8.524 18.413 38 H ALA 7 H ALA 7 -11.523 8.548 15.098 39 HA ALA 7 HA ALA 7 -11.742 6.233 13.636 40 1HB ALA 7 1HB ALA 7 -14.055 6.811 12.552 41 2HB ALA 7 2HB ALA 7 -14.019 5.916 14.090 42 3HB ALA 7 3HB ALA 7 -14.366 7.661 14.085 43 H LYS 8 H LYS 8 -9.870 8.000 13.390 44 HA LYS 8 HA LYS 8 -10.213 10.353 12.089 45 1HB LYS 8 1HB LYS 8 -8.087 8.909 12.896 46 2HB LYS 8 2HB LYS 8 -7.961 8.636 11.170 47 1HG LYS 8 1HG LYS 8 -7.728 10.956 10.687 48 2HG LYS 8 2HG LYS 8 -8.410 11.445 12.225 49 1HD LYS 8 1HD LYS 8 -6.378 10.386 13.365 50 2HD LYS 8 2HD LYS 8 -5.686 10.145 11.773 51 1HE LYS 8 1HE LYS 8 -4.767 12.221 12.181 52 2HE LYS 8 2HE LYS 8 -6.301 12.779 11.542 53 1HZ LYS 8 1HZ LYS 8 -6.771 12.293 14.175 54 2HZ LYS 8 2HZ LYS 8 -5.296 12.995 14.164 55 3HZ LYS 8 3HZ LYS 8 -6.569 13.758 13.483 56 H GLY 9 H GLY 9 -9.440 7.245 10.364 57 1HA GLY 9 1HA GLY 9 -9.971 6.541 8.297 58 2HA GLY 9 2HA GLY 9 -11.516 7.334 8.535 59 HA PRO 10 HA PRO 10 -11.772 6.797 6.589 60 1HB PRO 10 1HB PRO 10 -11.529 6.312 3.911 61 2HB PRO 10 2HB PRO 10 -12.718 7.411 4.581 62 1HG PRO 10 1HG PRO 10 -10.204 8.042 3.159 63 2HG PRO 10 2HG PRO 10 -11.588 9.076 3.454 64 1HD PRO 10 1HD PRO 10 -9.076 9.136 4.836 65 2HD PRO 10 2HD PRO 10 -10.499 10.089 5.207 66 H VAL 11 H VAL 11 -11.486 4.555 5.140 67 HA VAL 11 HA VAL 11 -8.960 3.602 6.247 68 HB VAL 11 HB VAL 11 -11.570 2.353 5.460 69 1HG1 VAL 11 1HG1 VAL 11 -10.259 0.142 6.124 70 2HG1 VAL 11 2HG1 VAL 11 -10.295 0.734 4.446 71 3HG1 VAL 11 3HG1 VAL 11 -8.874 1.050 5.470 72 1HG2 VAL 11 1HG2 VAL 11 -11.719 1.702 7.684 73 2HG2 VAL 11 2HG2 VAL 11 -9.957 1.765 7.932 74 3HG2 VAL 11 3HG2 VAL 11 -10.894 3.274 7.812 75 H LYS 12 H LYS 12 -7.304 2.789 4.982 76 HA LYS 12 HA LYS 12 -7.654 3.227 2.114 77 1HB LYS 12 1HB LYS 12 -5.507 3.680 4.019 78 2HB LYS 12 2HB LYS 12 -4.953 2.705 2.673 79 1HG LYS 12 1HG LYS 12 -5.021 4.476 1.250 80 2HG LYS 12 2HG LYS 12 -6.670 4.860 1.703 81 1HD LYS 12 1HD LYS 12 -4.591 5.532 3.747 82 2HD LYS 12 2HD LYS 12 -4.517 6.466 2.265 83 1HE LYS 12 1HE LYS 12 -6.210 7.757 3.046 84 2HE LYS 12 2HE LYS 12 -7.277 6.371 2.927 85 1HZ LYS 12 1HZ LYS 12 -6.527 5.728 5.149 86 2HZ LYS 12 2HZ LYS 12 -5.636 7.093 5.254 87 3HZ LYS 12 3HZ LYS 12 -7.262 7.186 5.143 88 H HIS 13 H HIS 13 -7.544 1.574 0.636 89 HA HIS 13 HA HIS 13 -7.168 -1.083 1.807 90 1HB HIS 13 1HB HIS 13 -9.414 -0.719 0.969 91 2HB HIS 13 2HB HIS 13 -8.799 -0.180 -0.581 92 HD1 HIS 13 HD1 HIS 13 -9.480 -3.273 1.429 93 HD2 HIS 13 HD2 HIS 13 -7.848 -2.250 -2.297 94 HE1 HIS 13 HE1 HIS 13 -9.327 -5.443 0.096 95 HE2 HIS 13 HE2 HIS 13 -8.368 -4.743 -2.203 96 H VAL 14 H VAL 14 -5.365 -2.188 1.233 97 HA VAL 14 HA VAL 14 -3.845 -1.131 -1.028 98 HB VAL 14 HB VAL 14 -3.052 -3.007 1.209 99 1HG1 VAL 14 1HG1 VAL 14 -0.851 -2.931 0.425 100 2HG1 VAL 14 2HG1 VAL 14 -1.811 -3.090 -1.066 101 3HG1 VAL 14 3HG1 VAL 14 -1.158 -1.503 -0.594 102 1HG2 VAL 14 1HG2 VAL 14 -3.644 -0.627 1.872 103 2HG2 VAL 14 2HG2 VAL 14 -1.997 -1.166 2.282 104 3HG2 VAL 14 3HG2 VAL 14 -2.262 -0.101 0.880 105 H LEU 15 H LEU 15 -3.962 -2.154 -2.953 106 HA LEU 15 HA LEU 15 -4.397 -5.046 -2.901 107 1HB LEU 15 1HB LEU 15 -6.462 -3.414 -3.399 108 2HB LEU 15 2HB LEU 15 -5.778 -3.479 -5.011 109 HG LEU 15 HG LEU 15 -6.555 -5.917 -3.388 110 1HD1 LEU 15 1HD1 LEU 15 -8.657 -5.823 -4.154 111 2HD1 LEU 15 2HD1 LEU 15 -8.315 -4.098 -4.428 112 3HD1 LEU 15 3HD1 LEU 15 -8.153 -5.260 -5.766 113 1HD2 LEU 15 1HD2 LEU 15 -5.100 -5.549 -5.884 114 2HD2 LEU 15 2HD2 LEU 15 -5.305 -7.002 -4.876 115 3HD2 LEU 15 3HD2 LEU 15 -6.541 -6.575 -6.084 116 H LEU 16 H LEU 16 -3.379 -6.185 -4.607 117 HA LEU 16 HA LEU 16 -1.705 -4.515 -6.341 118 1HB LEU 16 1HB LEU 16 0.005 -5.145 -5.059 119 2HB LEU 16 2HB LEU 16 -0.890 -6.453 -4.310 120 HG LEU 16 HG LEU 16 -0.514 -7.742 -6.511 121 1HD1 LEU 16 1HD1 LEU 16 1.185 -7.090 -7.979 122 2HD1 LEU 16 2HD1 LEU 16 0.256 -5.598 -7.692 123 3HD1 LEU 16 3HD1 LEU 16 1.810 -5.853 -6.861 124 1HD2 LEU 16 1HD2 LEU 16 1.608 -8.597 -5.745 125 2HD2 LEU 16 2HD2 LEU 16 1.900 -7.126 -4.786 126 3HD2 LEU 16 3HD2 LEU 16 0.578 -8.231 -4.340 127 H ALA 17 H ALA 17 -1.484 -5.241 -8.468 128 HA ALA 17 HA ALA 17 -2.681 -7.818 -9.110 129 1HB ALA 17 1HB ALA 17 -4.130 -6.846 -10.804 130 2HB ALA 17 2HB ALA 17 -4.486 -6.083 -9.237 131 3HB ALA 17 3HB ALA 17 -3.515 -5.215 -10.449 132 H SER 18 H SER 18 -1.743 -8.790 -10.934 133 HA SER 18 HA SER 18 0.316 -7.174 -12.216 134 1HB SER 18 1HB SER 18 0.497 -9.934 -11.009 135 2HB SER 18 2HB SER 18 1.480 -9.571 -12.413 136 HG SER 18 HG SER 18 2.394 -9.130 -10.164 137 H PHE 19 H PHE 19 0.548 -7.487 -14.485 138 HA PHE 19 HA PHE 19 -1.684 -8.905 -15.685 139 1HB PHE 19 1HB PHE 19 0.516 -6.995 -16.672 140 2HB PHE 19 2HB PHE 19 -0.701 -7.661 -17.743 141 HD1 PHE 19 HD1 PHE 19 -3.202 -7.395 -16.518 142 HD2 PHE 19 HD2 PHE 19 0.131 -4.795 -16.147 143 HE1 PHE 19 HE1 PHE 19 -4.744 -5.501 -15.943 144 HE2 PHE 19 HE2 PHE 19 -1.412 -2.900 -15.572 145 HZ PHE 19 HZ PHE 19 -3.831 -3.276 -15.477 146 H LYS 20 H LYS 20 -1.413 -10.998 -16.288 147 HA LYS 20 HA LYS 20 1.014 -12.304 -16.320 148 1HB LYS 20 1HB LYS 20 -0.176 -14.131 -17.347 149 2HB LYS 20 2HB LYS 20 -1.204 -13.378 -16.144 150 1HG LYS 20 1HG LYS 20 -2.778 -12.885 -17.702 151 2HG LYS 20 2HG LYS 20 -1.604 -12.047 -18.698 152 1HD LYS 20 1HD LYS 20 -2.249 -13.782 -20.133 153 2HD LYS 20 2HD LYS 20 -0.823 -14.477 -19.389 154 1HE LYS 20 1HE LYS 20 -2.716 -15.267 -17.572 155 2HE LYS 20 2HE LYS 20 -3.705 -15.205 -19.018 156 1HZ LYS 20 1HZ LYS 20 -1.365 -16.424 -19.750 157 2HZ LYS 20 2HZ LYS 20 -1.761 -17.092 -18.313 158 3HZ LYS 20 3HZ LYS 20 -2.823 -17.133 -19.553 159 H ASP 21 H ASP 21 1.876 -13.495 -18.406 160 HA ASP 21 HA ASP 21 2.537 -11.347 -20.200 161 1HB ASP 21 1HB ASP 21 3.967 -13.468 -19.107 162 2HB ASP 21 2HB ASP 21 3.635 -14.061 -20.722 163 H GLY 22 H GLY 22 1.343 -11.119 -22.096 164 1HA GLY 22 1HA GLY 22 0.900 -12.431 -24.193 165 2HA GLY 22 2HA GLY 22 0.000 -13.527 -23.165 166 H VAL 23 H VAL 23 -0.475 -10.651 -21.628 167 HA VAL 23 HA VAL 23 -3.056 -10.318 -22.887 168 HB VAL 23 HB VAL 23 -1.744 -9.177 -20.419 169 1HG1 VAL 23 1HG1 VAL 23 -4.301 -8.436 -21.789 170 2HG1 VAL 23 2HG1 VAL 23 -4.278 -8.494 -20.010 171 3HG1 VAL 23 3HG1 VAL 23 -3.153 -7.423 -20.881 172 1HG2 VAL 23 1HG2 VAL 23 -4.153 -11.002 -20.630 173 2HG2 VAL 23 2HG2 VAL 23 -2.487 -11.605 -20.464 174 3HG2 VAL 23 3HG2 VAL 23 -3.201 -10.596 -19.183 175 H SER 24 H SER 24 -3.553 -8.764 -24.357 176 HA SER 24 HA SER 24 -1.628 -7.299 -25.582 177 1HB SER 24 1HB SER 24 -4.632 -6.929 -25.354 178 2HB SER 24 2HB SER 24 -3.667 -5.824 -26.312 179 HG SER 24 HG SER 24 -4.206 -8.598 -26.736 180 HA PRO 25 HA PRO 25 -0.968 -3.873 -22.979 181 1HB PRO 25 1HB PRO 25 0.024 -2.036 -24.743 182 2HB PRO 25 2HB PRO 25 0.991 -3.328 -24.060 183 1HG PRO 25 1HG PRO 25 -0.135 -3.095 -26.784 184 2HG PRO 25 2HG PRO 25 1.157 -4.134 -26.215 185 1HD PRO 25 1HD PRO 25 -1.547 -4.909 -26.774 186 2HD PRO 25 2HD PRO 25 -0.286 -5.919 -26.096 187 H GLU 26 H GLU 26 -2.786 -3.237 -25.899 188 HA GLU 26 HA GLU 26 -3.805 -0.809 -25.000 189 1HB GLU 26 1HB GLU 26 -5.431 -1.056 -26.834 190 2HB GLU 26 2HB GLU 26 -3.827 -1.513 -27.372 191 1HG GLU 26 1HG GLU 26 -4.337 -3.856 -27.292 192 2HG GLU 26 2HG GLU 26 -5.760 -3.602 -26.302 193 H LYS 27 H LYS 27 -4.686 -4.193 -24.401 194 HA LYS 27 HA LYS 27 -7.292 -3.614 -23.422 195 1HB LYS 27 1HB LYS 27 -6.528 -5.803 -24.395 196 2HB LYS 27 2HB LYS 27 -5.581 -6.069 -22.945 197 1HG LYS 27 1HG LYS 27 -7.542 -7.139 -22.309 198 2HG LYS 27 2HG LYS 27 -7.895 -5.530 -21.712 199 1HD LYS 27 1HD LYS 27 -9.847 -6.101 -22.927 200 2HD LYS 27 2HD LYS 27 -8.963 -5.078 -24.042 201 1HE LYS 27 1HE LYS 27 -8.656 -6.779 -25.537 202 2HE LYS 27 2HE LYS 27 -8.163 -7.905 -24.287 203 1HZ LYS 27 1HZ LYS 27 -10.128 -8.818 -24.703 204 2HZ LYS 27 2HZ LYS 27 -10.768 -7.620 -23.795 205 3HZ LYS 27 3HZ LYS 27 -10.748 -7.490 -25.423 206 H ILE 28 H ILE 28 -4.002 -3.900 -22.030 207 HA ILE 28 HA ILE 28 -4.741 -3.974 -19.355 208 HB ILE 28 HB ILE 28 -2.313 -3.191 -20.895 209 1HG1 ILE 28 1HG1 ILE 28 -2.405 -5.095 -18.583 210 2HG1 ILE 28 2HG1 ILE 28 -3.156 -5.572 -20.092 211 1HG2 ILE 28 1HG2 ILE 28 -2.841 -2.488 -18.016 212 2HG2 ILE 28 2HG2 ILE 28 -1.197 -2.859 -18.588 213 3HG2 ILE 28 3HG2 ILE 28 -2.105 -1.506 -19.306 214 1HD1 ILE 28 1HD1 ILE 28 -0.252 -4.967 -19.525 215 2HD1 ILE 28 2HD1 ILE 28 -0.966 -6.334 -20.414 216 3HD1 ILE 28 3HD1 ILE 28 -0.882 -4.726 -21.173 217 H GLU 29 H GLU 29 -3.993 -1.151 -21.507 218 HA GLU 29 HA GLU 29 -4.494 0.724 -19.507 219 1HB GLU 29 1HB GLU 29 -4.604 2.345 -21.438 220 2HB GLU 29 2HB GLU 29 -3.170 1.338 -21.435 221 1HG GLU 29 1HG GLU 29 -4.078 -0.117 -23.157 222 2HG GLU 29 2HG GLU 29 -5.671 0.600 -23.016 223 H GLU 30 H GLU 30 -6.554 -0.903 -21.945 224 HA GLU 30 HA GLU 30 -8.735 0.763 -21.765 225 1HB GLU 30 1HB GLU 30 -8.307 -2.120 -22.526 226 2HB GLU 30 2HB GLU 30 -9.955 -1.561 -22.322 227 1HG GLU 30 1HG GLU 30 -8.566 0.449 -23.838 228 2HG GLU 30 2HG GLU 30 -8.158 -1.101 -24.546 229 H LEU 31 H LEU 31 -7.838 -2.162 -19.831 230 HA LEU 31 HA LEU 31 -10.175 -2.218 -18.300 231 1HB LEU 31 1HB LEU 31 -7.802 -3.688 -18.556 232 2HB LEU 31 2HB LEU 31 -7.837 -3.164 -16.884 233 HG LEU 31 HG LEU 31 -10.349 -4.337 -17.982 234 1HD1 LEU 31 1HD1 LEU 31 -9.535 -6.640 -17.555 235 2HD1 LEU 31 2HD1 LEU 31 -8.739 -5.855 -18.940 236 3HD1 LEU 31 3HD1 LEU 31 -7.885 -5.995 -17.385 237 1HD2 LEU 31 1HD2 LEU 31 -8.904 -4.278 -15.342 238 2HD2 LEU 31 2HD2 LEU 31 -10.538 -3.701 -15.752 239 3HD2 LEU 31 3HD2 LEU 31 -10.209 -5.448 -15.655 240 H ILE 32 H ILE 32 -6.957 -0.652 -17.750 241 HA ILE 32 HA ILE 32 -7.627 0.388 -15.238 242 HB ILE 32 HB ILE 32 -5.570 1.093 -17.317 243 1HG1 ILE 32 1HG1 ILE 32 -5.406 -0.266 -14.611 244 2HG1 ILE 32 2HG1 ILE 32 -5.296 -1.053 -16.173 245 1HG2 ILE 32 1HG2 ILE 32 -4.823 2.227 -14.841 246 2HG2 ILE 32 2HG2 ILE 32 -5.201 3.061 -16.367 247 3HG2 ILE 32 3HG2 ILE 32 -6.486 2.768 -15.171 248 1HD1 ILE 32 1HD1 ILE 32 -3.400 1.036 -16.316 249 2HD1 ILE 32 2HD1 ILE 32 -3.227 0.369 -14.674 250 3HD1 ILE 32 3HD1 ILE 32 -3.059 -0.697 -16.090 251 H LYS 33 H LYS 33 -8.124 1.543 -18.591 252 HA LYS 33 HA LYS 33 -8.916 4.146 -17.844 253 1HB LYS 33 1HB LYS 33 -8.914 2.479 -20.306 254 2HB LYS 33 2HB LYS 33 -10.077 3.789 -20.261 255 1HG LYS 33 1HG LYS 33 -7.165 4.244 -19.502 256 2HG LYS 33 2HG LYS 33 -7.685 4.303 -21.174 257 1HD LYS 33 1HD LYS 33 -8.963 5.975 -18.961 258 2HD LYS 33 2HD LYS 33 -7.653 6.555 -19.971 259 1HE LYS 33 1HE LYS 33 -9.029 6.906 -21.769 260 2HE LYS 33 2HE LYS 33 -9.864 5.381 -21.548 261 1HZ LYS 33 1HZ LYS 33 -10.777 7.871 -20.880 262 2HZ LYS 33 2HZ LYS 33 -11.491 6.442 -20.542 263 3HZ LYS 33 3HZ LYS 33 -10.491 7.133 -19.451 264 H GLY 34 H GLY 34 -10.708 1.083 -18.545 265 1HA GLY 34 1HA GLY 34 -13.289 2.141 -18.252 266 2HA GLY 34 2HA GLY 34 -12.816 0.462 -18.076 267 H TYR 35 H TYR 35 -11.038 0.555 -15.884 268 HA TYR 35 HA TYR 35 -12.565 0.238 -13.728 269 1HB TYR 35 1HB TYR 35 -9.825 0.611 -14.417 270 2HB TYR 35 2HB TYR 35 -10.097 1.823 -13.181 271 HD1 TYR 35 HD1 TYR 35 -11.801 0.635 -11.217 272 HD2 TYR 35 HD2 TYR 35 -8.733 -1.233 -13.541 273 HE1 TYR 35 HE1 TYR 35 -11.510 -1.140 -9.420 274 HE2 TYR 35 HE2 TYR 35 -8.453 -3.002 -11.737 275 HH TYR 35 HH TYR 35 -9.707 -2.647 -8.657 276 H ALA 36 H ALA 36 -11.333 3.405 -14.940 277 HA ALA 36 HA ALA 36 -12.335 4.860 -12.721 278 1HB ALA 36 1HB ALA 36 -10.452 5.608 -14.145 279 2HB ALA 36 2HB ALA 36 -11.561 5.753 -15.529 280 3HB ALA 36 3HB ALA 36 -11.763 6.811 -14.111 281 H ASN 37 H ASN 37 -13.495 4.196 -16.086 282 HA ASN 37 HA ASN 37 -15.735 5.783 -15.930 283 1HB ASN 37 1HB ASN 37 -14.582 4.137 -17.838 284 2HB ASN 37 2HB ASN 37 -16.016 3.212 -17.438 285 1HD2 ASN 37 1HD2 ASN 37 -15.704 4.219 -19.928 286 2HD2 ASN 37 2HD2 ASN 37 -16.824 5.503 -20.241 287 H LEU 38 H LEU 38 -15.026 2.430 -14.863 288 HA LEU 38 HA LEU 38 -17.692 1.662 -14.388 289 1HB LEU 38 1HB LEU 38 -15.805 0.121 -14.711 290 2HB LEU 38 2HB LEU 38 -15.113 0.643 -13.188 291 HG LEU 38 HG LEU 38 -17.591 -0.117 -12.356 292 1HD1 LEU 38 1HD1 LEU 38 -18.438 -1.963 -13.472 293 2HD1 LEU 38 2HD1 LEU 38 -17.953 -0.890 -14.807 294 3HD1 LEU 38 3HD1 LEU 38 -16.920 -2.265 -14.350 295 1HD2 LEU 38 1HD2 LEU 38 -16.534 -1.907 -11.299 296 2HD2 LEU 38 2HD2 LEU 38 -15.393 -2.158 -12.642 297 3HD2 LEU 38 3HD2 LEU 38 -15.217 -0.742 -11.577 298 H VAL 39 H VAL 39 -15.153 3.257 -12.398 299 HA VAL 39 HA VAL 39 -16.542 3.143 -9.979 300 HB VAL 39 HB VAL 39 -14.492 5.089 -11.052 301 1HG1 VAL 39 1HG1 VAL 39 -16.067 5.250 -8.663 302 2HG1 VAL 39 2HG1 VAL 39 -14.381 4.896 -8.212 303 3HG1 VAL 39 3HG1 VAL 39 -14.755 6.320 -9.213 304 1HG2 VAL 39 1HG2 VAL 39 -12.895 3.609 -10.483 305 2HG2 VAL 39 2HG2 VAL 39 -13.722 3.147 -8.976 306 3HG2 VAL 39 3HG2 VAL 39 -14.208 2.407 -10.521 307 H ASN 40 H ASN 40 -16.844 5.215 -12.845 308 HA ASN 40 HA ASN 40 -18.226 7.278 -11.589 309 1HB ASN 40 1HB ASN 40 -17.181 7.401 -13.885 310 2HB ASN 40 2HB ASN 40 -18.407 6.304 -14.489 311 1HD2 ASN 40 1HD2 ASN 40 -20.346 7.038 -15.071 312 2HD2 ASN 40 2HD2 ASN 40 -20.895 8.675 -14.937 313 H LEU 41 H LEU 41 -19.025 3.997 -12.267 314 HA LEU 41 HA LEU 41 -21.891 4.577 -12.403 315 1HB LEU 41 1HB LEU 41 -20.139 2.373 -13.342 316 2HB LEU 41 2HB LEU 41 -21.737 1.924 -12.779 317 HG LEU 41 HG LEU 41 -21.721 4.207 -14.646 318 1HD1 LEU 41 1HD1 LEU 41 -20.173 1.835 -15.288 319 2HD1 LEU 41 2HD1 LEU 41 -21.526 2.066 -16.420 320 3HD1 LEU 41 3HD1 LEU 41 -20.340 3.369 -16.174 321 1HD2 LEU 41 1HD2 LEU 41 -23.738 2.986 -13.766 322 2HD2 LEU 41 2HD2 LEU 41 -23.654 3.144 -15.537 323 3HD2 LEU 41 3HD2 LEU 41 -23.244 1.595 -14.761 324 H ILE 42 H ILE 42 -19.559 2.324 -10.755 325 HA ILE 42 HA ILE 42 -21.165 1.250 -8.899 326 HB ILE 42 HB ILE 42 -18.365 2.286 -8.440 327 1HG1 ILE 42 1HG1 ILE 42 -18.118 0.969 -10.319 328 2HG1 ILE 42 2HG1 ILE 42 -17.852 -0.189 -9.032 329 1HG2 ILE 42 1HG2 ILE 42 -18.296 0.269 -6.875 330 2HG2 ILE 42 2HG2 ILE 42 -19.202 1.699 -6.326 331 3HG2 ILE 42 3HG2 ILE 42 -20.074 0.284 -6.964 332 1HD1 ILE 42 1HD1 ILE 42 -20.340 0.183 -10.735 333 2HD1 ILE 42 2HD1 ILE 42 -19.364 -1.287 -10.504 334 3HD1 ILE 42 3HD1 ILE 42 -20.401 -0.692 -9.186 335 H GLU 43 H GLU 43 -22.860 2.359 -7.993 336 HA GLU 43 HA GLU 43 -23.054 4.920 -7.372 337 1HB GLU 43 1HB GLU 43 -24.443 2.555 -6.702 338 2HB GLU 43 2HB GLU 43 -24.150 3.339 -5.163 339 1HG GLU 43 1HG GLU 43 -24.974 5.526 -6.414 340 2HG GLU 43 2HG GLU 43 -25.671 4.399 -7.561 341 HA PRO 44 HA PRO 44 -20.876 4.289 -3.209 342 1HB PRO 44 1HB PRO 44 -19.686 1.900 -2.621 343 2HB PRO 44 2HB PRO 44 -21.304 2.320 -2.095 344 1HG PRO 44 1HG PRO 44 -20.475 0.478 -4.254 345 2HG PRO 44 2HG PRO 44 -22.023 0.590 -3.440 346 1HD PRO 44 1HD PRO 44 -21.388 1.567 -6.061 347 2HD PRO 44 2HD PRO 44 -22.900 1.780 -5.201 348 H MET 45 H MET 45 -18.481 3.879 -2.297 349 HA MET 45 HA MET 45 -16.347 4.160 -2.638 350 1HB MET 45 1HB MET 45 -16.775 2.309 -4.454 351 2HB MET 45 2HB MET 45 -16.726 3.613 -5.624 352 1HG MET 45 1HG MET 45 -14.439 4.140 -4.158 353 2HG MET 45 2HG MET 45 -14.502 2.392 -4.057 354 1HE MET 45 1HE MET 45 -15.046 1.397 -7.728 355 2HE MET 45 2HE MET 45 -13.845 0.794 -6.562 356 3HE MET 45 3HE MET 45 -15.508 1.139 -6.029 357 H LYS 46 H LYS 46 -15.602 6.225 -2.451 358 HA LYS 46 HA LYS 46 -16.784 8.374 -3.765 359 1HB LYS 46 1HB LYS 46 -14.583 7.908 -1.891 360 2HB LYS 46 2HB LYS 46 -14.269 9.248 -2.975 361 1HG LYS 46 1HG LYS 46 -15.498 10.415 -1.414 362 2HG LYS 46 2HG LYS 46 -16.847 9.831 -2.368 363 1HD LYS 46 1HD LYS 46 -17.542 9.139 -0.259 364 2HD LYS 46 2HD LYS 46 -16.671 7.704 -0.762 365 1HE LYS 46 1HE LYS 46 -14.624 8.530 0.421 366 2HE LYS 46 2HE LYS 46 -15.492 9.967 0.922 367 1HZ LYS 46 1HZ LYS 46 -17.102 7.948 1.691 368 2HZ LYS 46 2HZ LYS 46 -15.614 7.346 1.991 369 3HZ LYS 46 3HZ LYS 46 -16.073 8.761 2.663 370 H ALA 47 H ALA 47 -13.290 7.513 -4.152 371 HA ALA 47 HA ALA 47 -13.651 7.511 -7.036 372 1HB ALA 47 1HB ALA 47 -13.252 9.848 -6.649 373 2HB ALA 47 2HB ALA 47 -11.942 9.498 -5.496 374 3HB ALA 47 3HB ALA 47 -11.719 9.153 -7.228 375 H PHE 48 H PHE 48 -12.048 6.291 -8.115 376 HA PHE 48 HA PHE 48 -10.182 4.942 -6.291 377 1HB PHE 48 1HB PHE 48 -11.736 3.282 -7.036 378 2HB PHE 48 2HB PHE 48 -12.003 4.089 -8.569 379 HD1 PHE 48 HD1 PHE 48 -10.120 1.568 -6.829 380 HD2 PHE 48 HD2 PHE 48 -10.228 3.932 -10.351 381 HE1 PHE 48 HE1 PHE 48 -8.523 -0.017 -7.941 382 HE2 PHE 48 HE2 PHE 48 -8.631 2.347 -11.464 383 HZ PHE 48 HZ PHE 48 -7.798 0.392 -10.246 384 H HIS 49 H HIS 49 -8.025 4.830 -6.886 385 HA HIS 49 HA HIS 49 -7.386 5.792 -9.571 386 1HB HIS 49 1HB HIS 49 -5.413 6.990 -8.499 387 2HB HIS 49 2HB HIS 49 -6.995 7.722 -8.315 388 HD1 HIS 49 HD1 HIS 49 -7.864 8.085 -5.948 389 HD2 HIS 49 HD2 HIS 49 -4.423 5.690 -6.086 390 HE1 HIS 49 HE1 HIS 49 -7.102 7.788 -3.531 391 HE2 HIS 49 HE2 HIS 49 -5.017 6.263 -3.675 392 H TRP 50 H TRP 50 -5.039 5.223 -10.162 393 HA TRP 50 HA TRP 50 -4.268 2.726 -8.817 394 1HB TRP 50 1HB TRP 50 -3.906 1.626 -10.839 395 2HB TRP 50 2HB TRP 50 -5.481 2.377 -11.001 396 HD1 TRP 50 HD1 TRP 50 -5.320 4.922 -12.412 397 HE1 TRP 50 HE1 TRP 50 -4.005 5.525 -14.619 398 HE3 TRP 50 HE3 TRP 50 -2.008 1.075 -12.115 399 HZ2 TRP 50 HZ2 TRP 50 -1.777 4.352 -15.963 400 HZ3 TRP 50 HZ3 TRP 50 -0.295 0.876 -13.915 401 HH2 TRP 50 HH2 TRP 50 -0.147 2.435 -15.791 402 H GLY 51 H GLY 51 -1.868 2.192 -9.516 403 1HA GLY 51 1HA GLY 51 -0.324 4.661 -9.925 404 2HA GLY 51 2HA GLY 51 -0.031 3.694 -8.493 405 H LYS 52 H LYS 52 2.027 4.137 -10.355 406 HA LYS 52 HA LYS 52 2.286 1.453 -11.516 407 1HB LYS 52 1HB LYS 52 2.046 3.752 -12.997 408 2HB LYS 52 2HB LYS 52 3.786 3.615 -12.847 409 1HG LYS 52 1HG LYS 52 3.563 1.168 -13.575 410 2HG LYS 52 2HG LYS 52 1.874 1.489 -13.914 411 1HD LYS 52 1HD LYS 52 2.350 2.612 -15.848 412 2HD LYS 52 2HD LYS 52 3.659 3.514 -15.112 413 1HE LYS 52 1HE LYS 52 4.092 0.573 -15.640 414 2HE LYS 52 2HE LYS 52 4.121 1.666 -17.009 415 1HZ LYS 52 1HZ LYS 52 6.029 1.348 -14.942 416 2HZ LYS 52 2HZ LYS 52 6.197 2.049 -16.408 417 3HZ LYS 52 3HZ LYS 52 5.623 2.917 -15.149 418 H ASP 53 H ASP 53 4.426 0.536 -11.448 419 HA ASP 53 HA ASP 53 5.741 1.132 -9.081 420 1HB ASP 53 1HB ASP 53 7.521 -0.430 -10.020 421 2HB ASP 53 2HB ASP 53 5.899 -1.094 -9.980 422 H VAL 54 H VAL 54 7.409 2.614 -8.671 423 HA VAL 54 HA VAL 54 8.242 4.309 -10.834 424 HB VAL 54 HB VAL 54 9.556 5.385 -8.941 425 1HG1 VAL 54 1HG1 VAL 54 6.786 5.450 -7.975 426 2HG1 VAL 54 2HG1 VAL 54 7.792 6.746 -8.667 427 3HG1 VAL 54 3HG1 VAL 54 6.922 5.624 -9.741 428 1HG2 VAL 54 1HG2 VAL 54 7.815 3.730 -7.113 429 2HG2 VAL 54 2HG2 VAL 54 9.453 3.197 -7.563 430 3HG2 VAL 54 3HG2 VAL 54 9.222 4.744 -6.713 431 H SER 55 H SER 55 10.504 4.700 -11.412 432 HA SER 55 HA SER 55 11.836 2.503 -12.142 433 1HB SER 55 1HB SER 55 12.377 5.335 -11.978 434 2HB SER 55 2HB SER 55 13.827 4.475 -11.501 435 HG SER 55 HG SER 55 13.643 3.217 -13.500 436 H ILE 56 H ILE 56 12.064 0.816 -10.628 437 HA ILE 56 HA ILE 56 13.587 1.482 -8.210 438 HB ILE 56 HB ILE 56 11.296 0.540 -7.949 439 1HG1 ILE 56 1HG1 ILE 56 12.078 -1.311 -6.341 440 2HG1 ILE 56 2HG1 ILE 56 13.707 -0.912 -6.852 441 1HG2 ILE 56 1HG2 ILE 56 11.343 -0.955 -9.916 442 2HG2 ILE 56 2HG2 ILE 56 12.520 -1.993 -9.075 443 3HG2 ILE 56 3HG2 ILE 56 10.877 -1.796 -8.418 444 1HD1 ILE 56 1HD1 ILE 56 11.751 1.188 -5.824 445 2HD1 ILE 56 2HD1 ILE 56 12.886 0.314 -4.768 446 3HD1 ILE 56 3HD1 ILE 56 13.506 1.364 -6.064 447 H GLU 57 H GLU 57 13.940 0.340 -11.347 448 HA GLU 57 HA GLU 57 15.607 -0.607 -12.375 449 1HB GLU 57 1HB GLU 57 16.829 0.275 -9.968 450 2HB GLU 57 2HB GLU 57 17.404 -1.363 -10.205 451 1HG GLU 57 1HG GLU 57 17.637 -0.410 -12.767 452 2HG GLU 57 2HG GLU 57 17.879 1.076 -11.871 453 H ASN 58 H ASN 58 15.638 -2.298 -9.147 454 HA ASN 58 HA ASN 58 14.338 -4.545 -10.249 455 1HB ASN 58 1HB ASN 58 16.264 -6.152 -9.819 456 2HB ASN 58 2HB ASN 58 16.537 -5.077 -11.175 457 1HD2 ASN 58 1HD2 ASN 58 18.614 -6.333 -9.949 458 2HD2 ASN 58 2HD2 ASN 58 19.610 -5.206 -9.089 459 H LEU 59 H LEU 59 12.972 -4.565 -8.412 460 HA LEU 59 HA LEU 59 13.959 -5.644 -6.026 461 1HB LEU 59 1HB LEU 59 14.572 -2.998 -6.147 462 2HB LEU 59 2HB LEU 59 12.998 -2.932 -5.380 463 HG LEU 59 HG LEU 59 14.584 -2.971 -3.635 464 1HD1 LEU 59 1HD1 LEU 59 12.672 -4.988 -3.901 465 2HD1 LEU 59 2HD1 LEU 59 14.130 -5.817 -3.304 466 3HD1 LEU 59 3HD1 LEU 59 13.458 -4.437 -2.402 467 1HD2 LEU 59 1HD2 LEU 59 15.879 -5.441 -4.810 468 2HD2 LEU 59 2HD2 LEU 59 16.476 -3.784 -5.067 469 3HD2 LEU 59 3HD2 LEU 59 16.429 -4.468 -3.425 470 H HIS 60 H HIS 60 12.080 -6.673 -7.554 471 HA HIS 60 HA HIS 60 9.782 -6.530 -5.918 472 1HB HIS 60 1HB HIS 60 8.186 -5.600 -7.369 473 2HB HIS 60 2HB HIS 60 9.530 -4.475 -7.369 474 HD1 HIS 60 HD1 HIS 60 7.640 -6.842 -9.580 475 HD2 HIS 60 HD2 HIS 60 10.986 -4.322 -9.819 476 HE1 HIS 60 HE1 HIS 60 8.204 -6.635 -12.060 477 HE2 HIS 60 HE2 HIS 60 10.233 -5.032 -12.147 478 H GLN 61 H GLN 61 8.688 -8.476 -6.028 479 HA GLN 61 HA GLN 61 9.901 -10.441 -7.691 480 1HB GLN 61 1HB GLN 61 7.448 -10.851 -5.949 481 2HB GLN 61 2HB GLN 61 8.653 -12.036 -6.413 482 1HG GLN 61 1HG GLN 61 9.048 -9.672 -4.524 483 2HG GLN 61 2HG GLN 61 9.059 -11.371 -4.095 484 1HE2 GLN 61 1HE2 GLN 61 11.124 -9.637 -3.483 485 2HE2 GLN 61 2HE2 GLN 61 12.557 -10.077 -4.352 486 H GLY 62 H GLY 62 7.339 -8.187 -8.026 487 1HA GLY 62 1HA GLY 62 6.597 -8.371 -10.482 488 2HA GLY 62 2HA GLY 62 5.888 -9.882 -9.948 489 H TYR 63 H TYR 63 6.166 -6.661 -8.290 490 HA TYR 63 HA TYR 63 3.415 -6.850 -7.482 491 1HB TYR 63 1HB TYR 63 5.902 -5.202 -7.068 492 2HB TYR 63 2HB TYR 63 4.413 -4.292 -6.903 493 HD1 TYR 63 HD1 TYR 63 6.572 -6.826 -5.410 494 HD2 TYR 63 HD2 TYR 63 2.775 -4.875 -5.121 495 HE1 TYR 63 HE1 TYR 63 6.312 -7.670 -3.026 496 HE2 TYR 63 HE2 TYR 63 2.528 -5.726 -2.738 497 HH TYR 63 HH TYR 63 3.755 -8.035 -1.515 498 H THR 64 H THR 64 5.350 -5.153 -9.955 499 HA THR 64 HA THR 64 4.778 -3.823 -11.643 500 HB THR 64 HB THR 64 2.829 -4.477 -12.841 501 HG1 THR 64 HG1 THR 64 1.643 -5.432 -10.371 502 1HG2 THR 64 1HG2 THR 64 4.121 -6.555 -12.320 503 2HG2 THR 64 2HG2 THR 64 3.236 -6.712 -10.783 504 3HG2 THR 64 3HG2 THR 64 2.372 -6.882 -12.330 505 H HIS 65 H HIS 65 1.876 -3.717 -9.460 506 HA HIS 65 HA HIS 65 2.475 -1.136 -8.574 507 1HB HIS 65 1HB HIS 65 0.122 -0.471 -9.947 508 2HB HIS 65 2HB HIS 65 1.732 0.173 -10.201 509 HD1 HIS 65 HD1 HIS 65 3.035 -0.611 -12.292 510 HD2 HIS 65 HD2 HIS 65 -0.681 -2.495 -11.807 511 HE1 HIS 65 HE1 HIS 65 2.568 -1.843 -14.477 512 HE2 HIS 65 HE2 HIS 65 0.298 -3.026 -14.099 513 H ILE 66 H ILE 66 0.328 -0.158 -7.505 514 HA ILE 66 HA ILE 66 -1.386 -2.362 -6.646 515 HB ILE 66 HB ILE 66 -1.146 -1.734 -4.318 516 1HG1 ILE 66 1HG1 ILE 66 1.113 -0.259 -3.997 517 2HG1 ILE 66 2HG1 ILE 66 0.475 0.475 -5.455 518 1HG2 ILE 66 1HG2 ILE 66 1.697 -2.124 -4.946 519 2HG2 ILE 66 2HG2 ILE 66 0.566 -3.145 -4.026 520 3HG2 ILE 66 3HG2 ILE 66 0.600 -3.233 -5.804 521 1HD1 ILE 66 1HD1 ILE 66 -0.397 0.889 -2.767 522 2HD1 ILE 66 2HD1 ILE 66 -1.089 1.582 -4.254 523 3HD1 ILE 66 3HD1 ILE 66 -1.717 0.045 -3.612 524 H PHE 67 H PHE 67 -3.512 -1.794 -6.604 525 HA PHE 67 HA PHE 67 -4.069 1.033 -7.088 526 1HB PHE 67 1HB PHE 67 -5.834 -1.478 -7.291 527 2HB PHE 67 2HB PHE 67 -6.222 0.099 -7.951 528 HD1 PHE 67 HD1 PHE 67 -6.390 -2.191 -9.681 529 HD2 PHE 67 HD2 PHE 67 -2.991 0.155 -8.705 530 HE1 PHE 67 HE1 PHE 67 -5.318 -2.838 -11.857 531 HE2 PHE 67 HE2 PHE 67 -1.919 -0.492 -10.880 532 HZ PHE 67 HZ PHE 67 -3.096 -1.980 -12.430 533 H GLU 68 H GLU 68 -5.068 2.283 -5.569 534 HA GLU 68 HA GLU 68 -6.050 0.856 -3.229 535 1HB GLU 68 1HB GLU 68 -4.158 2.703 -3.177 536 2HB GLU 68 2HB GLU 68 -5.494 3.831 -3.292 537 1HG GLU 68 1HG GLU 68 -5.647 3.647 -1.027 538 2HG GLU 68 2HG GLU 68 -6.394 2.089 -1.320 539 H SER 69 H SER 69 -8.168 1.183 -2.467 540 HA SER 69 HA SER 69 -9.774 2.963 -4.127 541 1HB SER 69 1HB SER 69 -11.592 1.075 -3.294 542 2HB SER 69 2HB SER 69 -10.794 1.063 -4.854 543 HG SER 69 HG SER 69 -9.397 -0.517 -4.198 544 H THR 70 H THR 70 -11.074 4.405 -2.991 545 HA THR 70 HA THR 70 -10.858 4.301 -0.089 546 HB THR 70 HB THR 70 -11.676 6.369 -2.175 547 HG1 THR 70 HG1 THR 70 -9.777 7.328 -1.188 548 1HG2 THR 70 1HG2 THR 70 -11.818 7.939 -0.150 549 2HG2 THR 70 2HG2 THR 70 -13.197 6.827 -0.321 550 3HG2 THR 70 3HG2 THR 70 -11.922 6.487 0.873 551 H PHE 71 H PHE 71 -12.390 3.567 1.241 552 HA PHE 71 HA PHE 71 -15.043 3.169 0.049 553 1HB PHE 71 1HB PHE 71 -13.489 1.754 2.297 554 2HB PHE 71 2HB PHE 71 -15.148 1.363 1.890 555 HD1 PHE 71 HD1 PHE 71 -15.658 -0.054 0.056 556 HD2 PHE 71 HD2 PHE 71 -11.679 1.306 0.623 557 HE1 PHE 71 HE1 PHE 71 -14.851 -1.702 -1.657 558 HE2 PHE 71 HE2 PHE 71 -10.871 -0.342 -1.089 559 HZ PHE 71 HZ PHE 71 -12.467 -1.826 -2.209 560 H GLU 72 H GLU 72 -16.917 3.519 1.435 561 HA GLU 72 HA GLU 72 -16.905 5.857 2.756 562 1HB GLU 72 1HB GLU 72 -18.827 4.113 2.073 563 2HB GLU 72 2HB GLU 72 -18.740 3.696 3.773 564 1HG GLU 72 1HG GLU 72 -19.794 5.614 4.398 565 2HG GLU 72 2HG GLU 72 -18.732 6.606 3.419 566 H SER 73 H SER 73 -16.964 2.608 4.408 567 HA SER 73 HA SER 73 -14.948 3.283 6.181 568 1HB SER 73 1HB SER 73 -17.729 4.000 7.026 569 2HB SER 73 2HB SER 73 -16.755 3.170 8.223 570 HG SER 73 HG SER 73 -16.650 5.628 8.104 571 H LYS 74 H LYS 74 -14.796 1.087 4.952 572 HA LYS 74 HA LYS 74 -14.671 -1.113 5.119 573 1HB LYS 74 1HB LYS 74 -14.094 -0.886 7.433 574 2HB LYS 74 2HB LYS 74 -15.762 -0.619 7.898 575 1HG LYS 74 1HG LYS 74 -16.308 -2.946 7.006 576 2HG LYS 74 2HG LYS 74 -14.592 -3.196 6.753 577 1HD LYS 74 1HD LYS 74 -14.136 -3.389 9.014 578 2HD LYS 74 2HD LYS 74 -15.353 -2.215 9.474 579 1HE LYS 74 1HE LYS 74 -15.933 -5.069 8.544 580 2HE LYS 74 2HE LYS 74 -15.951 -4.531 10.211 581 1HZ LYS 74 1HZ LYS 74 -18.021 -4.421 8.453 582 2HZ LYS 74 2HZ LYS 74 -17.965 -3.718 9.926 583 3HZ LYS 74 3HZ LYS 74 -17.548 -2.865 8.597 584 H GLU 75 H GLU 75 -17.806 -0.011 6.593 585 HA GLU 75 HA GLU 75 -19.308 -2.122 5.797 586 1HB GLU 75 1HB GLU 75 -20.030 0.820 6.088 587 2HB GLU 75 2HB GLU 75 -21.237 -0.416 5.801 588 1HG GLU 75 1HG GLU 75 -20.519 -1.621 7.860 589 2HG GLU 75 2HG GLU 75 -19.269 -0.425 8.138 590 H ALA 76 H ALA 76 -18.069 0.604 3.883 591 HA ALA 76 HA ALA 76 -19.808 0.196 1.673 592 1HB ALA 76 1HB ALA 76 -18.762 2.045 0.835 593 2HB ALA 76 2HB ALA 76 -18.182 2.208 2.510 594 3HB ALA 76 3HB ALA 76 -17.140 1.458 1.276 595 H VAL 77 H VAL 77 -16.653 -1.082 2.753 596 HA VAL 77 HA VAL 77 -15.867 -2.184 0.307 597 HB VAL 77 HB VAL 77 -15.271 -3.102 3.127 598 1HG1 VAL 77 1HG1 VAL 77 -14.369 -4.000 0.494 599 2HG1 VAL 77 2HG1 VAL 77 -13.022 -3.510 1.549 600 3HG1 VAL 77 3HG1 VAL 77 -14.170 -4.757 2.093 601 1HG2 VAL 77 1HG2 VAL 77 -14.828 -0.599 2.257 602 2HG2 VAL 77 2HG2 VAL 77 -13.717 -1.452 3.355 603 3HG2 VAL 77 3HG2 VAL 77 -13.367 -1.384 1.611 604 H ALA 78 H ALA 78 -17.887 -3.434 3.022 605 HA ALA 78 HA ALA 78 -18.134 -6.040 2.140 606 1HB ALA 78 1HB ALA 78 -18.876 -5.447 4.327 607 2HB ALA 78 2HB ALA 78 -19.961 -4.183 3.698 608 3HB ALA 78 3HB ALA 78 -20.345 -5.900 3.429 609 H GLU 79 H GLU 79 -19.968 -3.064 1.245 610 HA GLU 79 HA GLU 79 -21.806 -4.439 -0.350 611 1HB GLU 79 1HB GLU 79 -21.227 -1.699 0.410 612 2HB GLU 79 2HB GLU 79 -21.520 -1.765 -1.317 613 1HG GLU 79 1HG GLU 79 -23.629 -3.139 -0.803 614 2HG GLU 79 2HG GLU 79 -23.365 -2.780 0.892 615 H TYR 80 H TYR 80 -18.596 -2.959 -0.941 616 HA TYR 80 HA TYR 80 -18.686 -3.032 -3.740 617 1HB TYR 80 1HB TYR 80 -17.062 -1.864 -2.082 618 2HB TYR 80 2HB TYR 80 -16.348 -3.434 -1.773 619 HD1 TYR 80 HD1 TYR 80 -17.406 -1.776 -4.972 620 HD2 TYR 80 HD2 TYR 80 -14.208 -3.453 -2.678 621 HE1 TYR 80 HE1 TYR 80 -15.819 -1.447 -6.931 622 HE2 TYR 80 HE2 TYR 80 -12.631 -3.118 -4.644 623 HH TYR 80 HH TYR 80 -13.815 -1.692 -7.680 624 H ILE 81 H ILE 81 -17.647 -5.445 -1.266 625 HA ILE 81 HA ILE 81 -16.703 -7.271 -3.241 626 HB ILE 81 HB ILE 81 -17.229 -7.445 -0.281 627 1HG1 ILE 81 1HG1 ILE 81 -14.584 -7.695 -1.706 628 2HG1 ILE 81 2HG1 ILE 81 -15.265 -6.121 -1.346 629 1HG2 ILE 81 1HG2 ILE 81 -15.757 -9.643 -0.721 630 2HG2 ILE 81 2HG2 ILE 81 -17.536 -9.655 -0.671 631 3HG2 ILE 81 3HG2 ILE 81 -16.690 -9.617 -2.237 632 1HD1 ILE 81 1HD1 ILE 81 -15.519 -7.755 1.019 633 2HD1 ILE 81 2HD1 ILE 81 -13.846 -7.875 0.423 634 3HD1 ILE 81 3HD1 ILE 81 -14.547 -6.281 0.792 635 H ALA 82 H ALA 82 -19.808 -6.363 -1.955 636 HA ALA 82 HA ALA 82 -20.984 -8.906 -2.766 637 1HB ALA 82 1HB ALA 82 -22.266 -6.470 -1.467 638 2HB ALA 82 2HB ALA 82 -22.963 -8.101 -1.617 639 3HB ALA 82 3HB ALA 82 -21.554 -7.829 -0.565 640 H HIS 83 H HIS 83 -19.879 -6.254 -4.328 641 HA HIS 83 HA HIS 83 -22.231 -5.635 -5.848 642 1HB HIS 83 1HB HIS 83 -20.005 -4.229 -5.195 643 2HB HIS 83 2HB HIS 83 -19.553 -4.777 -6.797 644 HD1 HIS 83 HD1 HIS 83 -20.829 -3.786 -8.826 645 HD2 HIS 83 HD2 HIS 83 -22.209 -2.418 -5.109 646 HE1 HIS 83 HE1 HIS 83 -22.367 -1.810 -9.317 647 HE2 HIS 83 HE2 HIS 83 -23.227 -1.047 -7.000 648 HA PRO 84 HA PRO 84 -21.577 -8.743 -8.800 649 1HB PRO 84 1HB PRO 84 -23.342 -7.915 -10.715 650 2HB PRO 84 2HB PRO 84 -23.823 -8.830 -9.300 651 1HG PRO 84 1HG PRO 84 -24.196 -5.951 -9.862 652 2HG PRO 84 2HG PRO 84 -25.019 -6.956 -8.685 653 1HD PRO 84 1HD PRO 84 -22.932 -5.060 -8.161 654 2HD PRO 84 2HD PRO 84 -23.675 -6.147 -7.005 655 H ALA 85 H ALA 85 -21.467 -5.404 -9.846 656 HA ALA 85 HA ALA 85 -20.212 -5.866 -12.281 657 1HB ALA 85 1HB ALA 85 -19.355 -3.425 -10.899 658 2HB ALA 85 2HB ALA 85 -20.324 -3.615 -12.379 659 3HB ALA 85 3HB ALA 85 -21.111 -3.691 -10.785 660 H HIS 86 H HIS 86 -18.970 -5.707 -8.929 661 HA HIS 86 HA HIS 86 -16.254 -5.610 -9.727 662 1HB HIS 86 1HB HIS 86 -16.392 -4.803 -7.625 663 2HB HIS 86 2HB HIS 86 -17.798 -5.767 -7.220 664 HD1 HIS 86 HD1 HIS 86 -17.271 -8.382 -6.609 665 HD2 HIS 86 HD2 HIS 86 -14.013 -5.739 -6.597 666 HE1 HIS 86 HE1 HIS 86 -15.413 -9.544 -5.302 667 HE2 HIS 86 HE2 HIS 86 -13.420 -7.895 -5.376 668 H VAL 87 H VAL 87 -18.652 -8.166 -9.053 669 HA VAL 87 HA VAL 87 -16.743 -10.260 -8.922 670 HB VAL 87 HB VAL 87 -19.702 -9.969 -9.058 671 1HG1 VAL 87 1HG1 VAL 87 -19.953 -12.456 -9.231 672 2HG1 VAL 87 2HG1 VAL 87 -19.399 -11.675 -10.731 673 3HG1 VAL 87 3HG1 VAL 87 -18.239 -12.549 -9.702 674 1HG2 VAL 87 1HG2 VAL 87 -18.195 -10.070 -6.955 675 2HG2 VAL 87 2HG2 VAL 87 -19.674 -11.060 -6.987 676 3HG2 VAL 87 3HG2 VAL 87 -18.091 -11.814 -7.294 677 H GLU 88 H GLU 88 -18.614 -8.643 -11.505 678 HA GLU 88 HA GLU 88 -18.073 -10.593 -13.440 679 1HB GLU 88 1HB GLU 88 -19.855 -8.670 -13.397 680 2HB GLU 88 2HB GLU 88 -18.581 -7.669 -14.062 681 1HG GLU 88 1HG GLU 88 -18.881 -8.557 -16.127 682 2HG GLU 88 2HG GLU 88 -18.639 -10.180 -15.513 683 H PHE 89 H PHE 89 -16.520 -7.443 -12.562 684 HA PHE 89 HA PHE 89 -14.642 -7.428 -14.606 685 1HB PHE 89 1HB PHE 89 -15.232 -6.157 -11.992 686 2HB PHE 89 2HB PHE 89 -13.503 -6.294 -12.242 687 HD1 PHE 89 HD1 PHE 89 -13.027 -3.980 -12.480 688 HD2 PHE 89 HD2 PHE 89 -15.958 -5.794 -14.956 689 HE1 PHE 89 HE1 PHE 89 -13.074 -1.930 -13.927 690 HE2 PHE 89 HE2 PHE 89 -16.005 -3.743 -16.403 691 HZ PHE 89 HZ PHE 89 -14.562 -1.836 -15.871 692 H ALA 90 H ALA 90 -14.606 -8.946 -11.339 693 HA ALA 90 HA ALA 90 -11.879 -9.706 -11.493 694 1HB ALA 90 1HB ALA 90 -14.233 -10.563 -9.772 695 2HB ALA 90 2HB ALA 90 -12.581 -11.185 -9.545 696 3HB ALA 90 3HB ALA 90 -12.913 -9.448 -9.343 697 H THR 91 H THR 91 -14.987 -11.090 -12.551 698 HA THR 91 HA THR 91 -13.947 -13.708 -12.996 699 HB THR 91 HB THR 91 -16.454 -12.205 -13.910 700 HG1 THR 91 HG1 THR 91 -15.779 -14.287 -11.949 701 1HG2 THR 91 1HG2 THR 91 -17.280 -14.159 -14.855 702 2HG2 THR 91 2HG2 THR 91 -15.554 -14.475 -15.158 703 3HG2 THR 91 3HG2 THR 91 -16.357 -15.199 -13.743 704 H ILE 92 H ILE 92 -14.260 -10.722 -14.941 705 HA ILE 92 HA ILE 92 -13.554 -12.035 -17.365 706 HB ILE 92 HB ILE 92 -13.925 -9.208 -16.461 707 1HG1 ILE 92 1HG1 ILE 92 -15.182 -10.662 -18.792 708 2HG1 ILE 92 2HG1 ILE 92 -15.801 -10.820 -17.160 709 1HG2 ILE 92 1HG2 ILE 92 -11.937 -9.106 -17.858 710 2HG2 ILE 92 2HG2 ILE 92 -12.758 -10.038 -19.132 711 3HG2 ILE 92 3HG2 ILE 92 -13.336 -8.409 -18.709 712 1HD1 ILE 92 1HD1 ILE 92 -15.790 -8.198 -17.122 713 2HD1 ILE 92 2HD1 ILE 92 -15.663 -8.335 -18.892 714 3HD1 ILE 92 3HD1 ILE 92 -17.066 -9.029 -18.045 715 H PHE 93 H PHE 93 -11.821 -10.235 -14.782 716 HA PHE 93 HA PHE 93 -9.368 -10.132 -16.150 717 1HB PHE 93 1HB PHE 93 -10.254 -8.829 -14.074 718 2HB PHE 93 2HB PHE 93 -9.957 -10.278 -13.135 719 HD1 PHE 93 HD1 PHE 93 -7.834 -8.860 -15.836 720 HD2 PHE 93 HD2 PHE 93 -8.258 -9.600 -11.679 721 HE1 PHE 93 HE1 PHE 93 -5.461 -8.133 -15.465 722 HE2 PHE 93 HE2 PHE 93 -5.885 -8.872 -11.308 723 HZ PHE 93 HZ PHE 93 -4.514 -8.148 -13.205 724 H LEU 94 H LEU 94 -10.952 -12.573 -14.072 725 HA LEU 94 HA LEU 94 -8.731 -14.086 -13.423 726 1HB LEU 94 1HB LEU 94 -11.649 -14.447 -13.544 727 2HB LEU 94 2HB LEU 94 -10.728 -15.931 -13.688 728 HG LEU 94 HG LEU 94 -10.072 -14.021 -11.468 729 1HD1 LEU 94 1HD1 LEU 94 -12.546 -15.702 -11.689 730 2HD1 LEU 94 2HD1 LEU 94 -11.758 -15.488 -10.107 731 3HD1 LEU 94 3HD1 LEU 94 -12.329 -14.068 -11.016 732 1HD2 LEU 94 1HD2 LEU 94 -9.035 -16.442 -12.250 733 2HD2 LEU 94 2HD2 LEU 94 -8.880 -15.717 -10.632 734 3HD2 LEU 94 3HD2 LEU 94 -10.164 -16.907 -10.955 735 H GLY 95 H GLY 95 -10.428 -13.656 -16.484 736 1HA GLY 95 1HA GLY 95 -9.712 -16.013 -17.794 737 2HA GLY 95 2HA GLY 95 -10.038 -14.463 -18.543 738 H SER 96 H SER 96 -7.831 -13.114 -16.927 739 HA SER 96 HA SER 96 -5.468 -14.465 -17.752 740 1HB SER 96 1HB SER 96 -6.486 -12.033 -19.242 741 2HB SER 96 2HB SER 96 -4.761 -12.297 -19.087 742 HG SER 96 HG SER 96 -6.174 -13.289 -20.984 743 H LEU 97 H LEU 97 -5.542 -14.194 -15.287 744 HA LEU 97 HA LEU 97 -4.572 -11.512 -14.575 745 1HB LEU 97 1HB LEU 97 -5.870 -11.462 -12.773 746 2HB LEU 97 2HB LEU 97 -6.831 -12.639 -13.645 747 HG LEU 97 HG LEU 97 -5.500 -14.447 -12.444 748 1HD1 LEU 97 1HD1 LEU 97 -4.238 -12.044 -11.315 749 2HD1 LEU 97 2HD1 LEU 97 -4.751 -13.242 -10.103 750 3HD1 LEU 97 3HD1 LEU 97 -3.648 -13.721 -11.416 751 1HD2 LEU 97 1HD2 LEU 97 -7.483 -12.593 -11.188 752 2HD2 LEU 97 2HD2 LEU 97 -7.650 -14.298 -11.671 753 3HD2 LEU 97 3HD2 LEU 97 -6.752 -13.876 -10.194 754 H ASP 98 H ASP 98 -2.595 -11.354 -13.561 755 HA ASP 98 HA ASP 98 -1.040 -13.748 -13.621 756 1HB ASP 98 1HB ASP 98 -0.377 -11.255 -14.245 757 2HB ASP 98 2HB ASP 98 -0.098 -11.082 -12.523 758 H LYS 99 H LYS 99 -1.535 -11.063 -11.191 759 HA LYS 99 HA LYS 99 -1.845 -13.064 -9.105 760 1HB LYS 99 1HB LYS 99 0.197 -10.847 -8.823 761 2HB LYS 99 2HB LYS 99 -0.135 -12.147 -7.696 762 1HG LYS 99 1HG LYS 99 0.584 -13.812 -9.450 763 2HG LYS 99 2HG LYS 99 0.981 -12.483 -10.521 764 1HD LYS 99 1HD LYS 99 3.035 -13.170 -9.432 765 2HD LYS 99 2HD LYS 99 2.589 -11.611 -8.766 766 1HE LYS 99 1HE LYS 99 2.681 -12.540 -6.698 767 2HE LYS 99 2HE LYS 99 1.260 -13.480 -7.110 768 1HZ LYS 99 1HZ LYS 99 4.017 -14.287 -7.058 769 2HZ LYS 99 2HZ LYS 99 2.670 -15.156 -6.748 770 3HZ LYS 99 3HZ LYS 99 3.138 -14.898 -8.291 771 H VAL 100 H VAL 100 -3.023 -12.286 -7.278 772 HA VAL 100 HA VAL 100 -3.853 -9.525 -7.294 773 HB VAL 100 HB VAL 100 -6.279 -10.219 -7.276 774 1HG1 VAL 100 1HG1 VAL 100 -6.502 -9.847 -9.558 775 2HG1 VAL 100 2HG1 VAL 100 -4.872 -9.208 -9.235 776 3HG1 VAL 100 3HG1 VAL 100 -5.068 -10.819 -9.966 777 1HG2 VAL 100 1HG2 VAL 100 -6.448 -12.493 -7.031 778 2HG2 VAL 100 2HG2 VAL 100 -6.539 -12.381 -8.805 779 3HG2 VAL 100 3HG2 VAL 100 -5.004 -12.822 -8.018 780 H LEU 101 H LEU 101 -3.396 -9.020 -5.212 781 HA LEU 101 HA LEU 101 -4.298 -10.946 -3.185 782 1HB LEU 101 1HB LEU 101 -1.762 -9.328 -3.325 783 2HB LEU 101 2HB LEU 101 -2.382 -9.957 -1.811 784 HG LEU 101 HG LEU 101 -0.864 -11.579 -2.404 785 1HD1 LEU 101 1HD1 LEU 101 -3.168 -12.785 -3.909 786 2HD1 LEU 101 2HD1 LEU 101 -2.048 -13.537 -2.748 787 3HD1 LEU 101 3HD1 LEU 101 -3.311 -12.423 -2.172 788 1HD2 LEU 101 1HD2 LEU 101 0.105 -11.525 -4.396 789 2HD2 LEU 101 2HD2 LEU 101 -1.327 -12.315 -5.099 790 3HD2 LEU 101 3HD2 LEU 101 -1.225 -10.538 -5.049 791 H VAL 102 H VAL 102 -5.858 -10.171 -1.872 792 HA VAL 102 HA VAL 102 -6.301 -7.282 -1.929 793 HB VAL 102 HB VAL 102 -8.093 -9.490 -0.906 794 1HG1 VAL 102 1HG1 VAL 102 -8.677 -7.326 0.001 795 2HG1 VAL 102 2HG1 VAL 102 -8.608 -6.583 -1.615 796 3HG1 VAL 102 3HG1 VAL 102 -9.875 -7.774 -1.237 797 1HG2 VAL 102 1HG2 VAL 102 -7.421 -9.600 -3.396 798 2HG2 VAL 102 2HG2 VAL 102 -9.155 -9.627 -2.993 799 3HG2 VAL 102 3HG2 VAL 102 -8.401 -8.126 -3.583 800 H ILE 103 H ILE 103 -5.707 -6.041 -0.228 801 HA ILE 103 HA ILE 103 -5.653 -7.278 2.405 802 HB ILE 103 HB ILE 103 -3.284 -5.904 1.133 803 1HG1 ILE 103 1HG1 ILE 103 -3.620 -8.280 0.496 804 2HG1 ILE 103 2HG1 ILE 103 -2.135 -7.994 1.382 805 1HG2 ILE 103 1HG2 ILE 103 -3.983 -6.458 3.982 806 2HG2 ILE 103 2HG2 ILE 103 -2.294 -6.682 3.465 807 3HG2 ILE 103 3HG2 ILE 103 -3.086 -5.101 3.259 808 1HD1 ILE 103 1HD1 ILE 103 -4.101 -9.890 2.018 809 2HD1 ILE 103 2HD1 ILE 103 -2.773 -9.363 3.079 810 3HD1 ILE 103 3HD1 ILE 103 -4.369 -8.585 3.198 811 H ASP 104 H ASP 104 -5.865 -5.736 4.137 812 HA ASP 104 HA ASP 104 -6.945 -3.230 3.135 813 1HB ASP 104 1HB ASP 104 -7.614 -5.083 5.352 814 2HB ASP 104 2HB ASP 104 -7.591 -3.403 5.850 815 H TYR 105 H TYR 105 -6.371 -1.224 4.354 816 HA TYR 105 HA TYR 105 -4.027 -1.515 6.093 817 1HB TYR 105 1HB TYR 105 -3.240 -0.920 3.821 818 2HB TYR 105 2HB TYR 105 -4.541 0.237 3.619 819 HD1 TYR 105 HD1 TYR 105 -4.533 2.331 5.126 820 HD2 TYR 105 HD2 TYR 105 -1.145 -0.240 4.662 821 HE1 TYR 105 HE1 TYR 105 -3.004 4.184 5.959 822 HE2 TYR 105 HE2 TYR 105 0.373 1.622 5.496 823 HH TYR 105 HH TYR 105 0.033 4.384 5.433 824 H LYS 106 H LYS 106 -4.305 -0.448 7.987 825 HA LYS 106 HA LYS 106 -6.155 1.833 7.950 826 1HB LYS 106 1HB LYS 106 -6.372 -0.655 9.402 827 2HB LYS 106 2HB LYS 106 -6.201 0.675 10.529 828 1HG LYS 106 1HG LYS 106 -8.159 1.752 9.780 829 2HG LYS 106 2HG LYS 106 -8.095 1.003 8.197 830 1HD LYS 106 1HD LYS 106 -9.611 -0.508 8.952 831 2HD LYS 106 2HD LYS 106 -8.333 -1.189 9.940 832 1HE LYS 106 1HE LYS 106 -9.119 1.000 11.466 833 2HE LYS 106 2HE LYS 106 -10.637 0.508 10.742 834 1HZ LYS 106 1HZ LYS 106 -8.871 -1.472 11.965 835 2HZ LYS 106 2HZ LYS 106 -9.909 -0.604 12.879 836 3HZ LYS 106 3HZ LYS 106 -10.478 -1.570 11.692 837 HA PRO 107 HA PRO 107 -2.812 3.921 9.722 838 1HB PRO 107 1HB PRO 107 -4.081 6.149 10.667 839 2HB PRO 107 2HB PRO 107 -3.611 5.952 8.991 840 1HG PRO 107 1HG PRO 107 -6.303 5.755 10.197 841 2HG PRO 107 2HG PRO 107 -5.868 5.985 8.515 842 1HD PRO 107 1HD PRO 107 -6.771 3.552 9.736 843 2HD PRO 107 2HD PRO 107 -6.226 3.755 8.084 844 H THR 108 H THR 108 -1.966 2.622 11.300 845 HA THR 108 HA THR 108 -3.159 3.158 13.942 846 HB THR 108 HB THR 108 -2.076 0.601 12.672 847 HG1 THR 108 HG1 THR 108 -4.307 0.673 12.501 848 1HG2 THR 108 1HG2 THR 108 -1.456 -0.173 14.729 849 2HG2 THR 108 2HG2 THR 108 -1.814 1.419 15.441 850 3HG2 THR 108 3HG2 THR 108 -3.091 0.183 15.335 851 H SER 109 H SER 109 -1.574 5.086 13.524 852 HA SER 109 HA SER 109 1.124 4.231 14.145 853 1HB SER 109 1HB SER 109 0.246 6.107 12.374 854 2HB SER 109 2HB SER 109 0.471 7.130 13.779 855 HG SER 109 HG SER 109 2.356 6.216 12.089 856 H VAL 110 H VAL 110 2.322 5.487 15.890 857 HA VAL 110 HA VAL 110 0.525 5.848 18.153 858 HB VAL 110 HB VAL 110 3.518 5.514 17.901 859 1HG1 VAL 110 1HG1 VAL 110 1.837 6.403 20.176 860 2HG1 VAL 110 2HG1 VAL 110 3.017 5.121 20.540 861 3HG1 VAL 110 3HG1 VAL 110 3.566 6.668 19.849 862 1HG2 VAL 110 1HG2 VAL 110 1.241 3.693 18.663 863 2HG2 VAL 110 2HG2 VAL 110 2.591 3.409 17.538 864 3HG2 VAL 110 3HG2 VAL 110 2.881 3.406 19.294 865 H SER 111 H SER 111 0.411 7.771 19.365 866 HA SER 111 HA SER 111 0.904 10.088 17.847 867 1HB SER 111 1HB SER 111 0.389 10.759 20.593 868 2HB SER 111 2HB SER 111 -0.699 10.878 19.224 869 HG SER 111 HG SER 111 -1.539 9.491 20.917 870 H LEU 112 H LEU 112 2.666 11.469 17.884 871 HA LEU 112 HA LEU 112 4.573 11.094 20.082 872 1HB LEU 112 1HB LEU 112 6.392 11.413 18.454 873 2HB LEU 112 2HB LEU 112 5.493 9.924 18.238 874 HG LEU 112 HG LEU 112 4.316 11.944 16.572 875 1HD1 LEU 112 1HD1 LEU 112 6.530 11.980 15.071 876 2HD1 LEU 112 2HD1 LEU 112 6.139 13.253 16.252 877 3HD1 LEU 112 3HD1 LEU 112 7.288 11.963 16.682 878 1HD2 LEU 112 1HD2 LEU 112 4.745 10.352 14.812 879 2HD2 LEU 112 2HD2 LEU 112 5.935 9.496 15.821 880 3HD2 LEU 112 3HD2 LEU 112 4.213 9.485 16.273 881 1H GLY 1 1H GLY 1 9.381 25.791 7.646 882 1HA GLY 1 1HA GLY 1 6.903 27.131 8.235 883 2HA GLY 1 2HA GLY 1 7.522 27.497 6.637 884 H SER 2 H SER 2 5.114 26.191 6.756 885 HA SER 2 HA SER 2 5.334 23.418 6.867 886 1HB SER 2 1HB SER 2 3.304 25.215 5.471 887 2HB SER 2 2HB SER 2 3.109 23.482 5.646 888 HG SER 2 HG SER 2 2.437 25.385 7.412 889 H HIS 3 H HIS 3 5.493 25.820 4.174 890 HA HIS 3 HA HIS 3 6.238 25.683 2.116 891 1HB HIS 3 1HB HIS 3 8.269 24.821 3.249 892 2HB HIS 3 2HB HIS 3 7.684 23.183 3.036 893 HD1 HIS 3 HD1 HIS 3 8.085 26.149 0.616 894 HD2 HIS 3 HD2 HIS 3 8.998 22.067 0.935 895 HE1 HIS 3 HE1 HIS 3 9.263 25.508 -1.555 896 H MET 4 H MET 4 5.289 25.072 0.197 897 HA MET 4 HA MET 4 3.941 24.046 -1.164 898 1HB MET 4 1HB MET 4 5.503 21.895 0.135 899 2HB MET 4 2HB MET 4 3.951 21.303 -0.423 900 1HG MET 4 1HG MET 4 4.848 21.155 -2.506 901 2HG MET 4 2HG MET 4 4.863 22.907 -2.558 902 1HE MET 4 1HE MET 4 6.414 21.554 -4.243 903 2HE MET 4 2HE MET 4 7.675 22.805 -4.137 904 3HE MET 4 3HE MET 4 8.096 21.093 -3.887 905 H GLU 5 H GLU 5 1.899 22.509 -1.331 906 HA GLU 5 HA GLU 5 0.386 22.979 1.114 907 1HB GLU 5 1HB GLU 5 -0.151 23.567 -1.646 908 2HB GLU 5 2HB GLU 5 -1.316 22.361 -1.135 909 1HG GLU 5 1HG GLU 5 -1.857 23.786 0.879 910 2HG GLU 5 2HG GLU 5 -0.751 25.008 0.283 911 H GLU 6 H GLU 6 -1.520 21.332 1.399 912 HA GLU 6 HA GLU 6 -0.301 18.733 1.211 913 1HB GLU 6 1HB GLU 6 -2.193 18.048 2.718 914 2HB GLU 6 2HB GLU 6 -1.214 19.346 3.373 915 1HG GLU 6 1HG GLU 6 -3.308 20.533 1.773 916 2HG GLU 6 2HG GLU 6 -4.045 19.348 2.834 917 H ALA 7 H ALA 7 -0.764 17.329 -0.424 918 HA ALA 7 HA ALA 7 -3.199 17.854 -1.969 919 1HB ALA 7 1HB ALA 7 -1.506 15.950 -3.244 920 2HB ALA 7 2HB ALA 7 -1.809 17.638 -3.719 921 3HB ALA 7 3HB ALA 7 -0.457 17.249 -2.629 922 H LYS 8 H LYS 8 -4.065 15.666 -3.010 923 HA LYS 8 HA LYS 8 -5.322 14.233 -1.127 924 1HB LYS 8 1HB LYS 8 -4.562 13.752 -3.955 925 2HB LYS 8 2HB LYS 8 -5.049 12.334 -3.049 926 1HG LYS 8 1HG LYS 8 -6.918 14.335 -2.311 927 2HG LYS 8 2HG LYS 8 -6.691 14.554 -4.035 928 1HD LYS 8 1HD LYS 8 -7.870 12.671 -4.509 929 2HD LYS 8 2HD LYS 8 -6.884 11.708 -3.427 930 1HE LYS 8 1HE LYS 8 -8.452 13.241 -1.670 931 2HE LYS 8 2HE LYS 8 -9.559 12.877 -2.979 932 1HZ LYS 8 1HZ LYS 8 -9.660 10.795 -2.307 933 2HZ LYS 8 2HZ LYS 8 -8.038 10.610 -2.297 934 3HZ LYS 8 3HZ LYS 8 -8.801 11.196 -0.978 935 H GLY 9 H GLY 9 -2.174 13.267 -2.665 936 1HA GLY 9 1HA GLY 9 -1.819 11.189 -0.664 937 2HA GLY 9 2HA GLY 9 -0.796 11.537 -2.043 938 HA PRO 10 HA PRO 10 -0.261 13.531 -2.832 939 1HB PRO 10 1HB PRO 10 2.214 14.410 -3.587 940 2HB PRO 10 2HB PRO 10 0.910 15.490 -3.138 941 1HG PRO 10 1HG PRO 10 3.312 14.740 -1.586 942 2HG PRO 10 2HG PRO 10 2.238 16.106 -1.356 943 1HD PRO 10 1HD PRO 10 2.308 13.697 0.199 944 2HD PRO 10 2HD PRO 10 1.160 15.012 0.354 945 H VAL 11 H VAL 11 2.693 12.179 -1.478 946 HA VAL 11 HA VAL 11 2.288 9.932 -3.319 947 HB VAL 11 HB VAL 11 4.778 11.521 -2.757 948 1HG1 VAL 11 1HG1 VAL 11 4.549 8.608 -3.453 949 2HG1 VAL 11 2HG1 VAL 11 5.875 9.572 -4.145 950 3HG1 VAL 11 3HG1 VAL 11 5.701 9.436 -2.379 951 1HG2 VAL 11 1HG2 VAL 11 4.973 11.620 -5.151 952 2HG2 VAL 11 2HG2 VAL 11 3.652 10.446 -5.361 953 3HG2 VAL 11 3HG2 VAL 11 3.306 12.068 -4.715 954 H LYS 12 H LYS 12 2.381 7.932 -2.360 955 HA LYS 12 HA LYS 12 3.431 7.854 0.375 956 1HB LYS 12 1HB LYS 12 0.714 7.044 -0.610 957 2HB LYS 12 2HB LYS 12 1.455 6.135 0.692 958 1HG LYS 12 1HG LYS 12 1.834 8.317 1.931 959 2HG LYS 12 2HG LYS 12 0.962 9.150 0.659 960 1HD LYS 12 1HD LYS 12 -0.887 7.252 1.200 961 2HD LYS 12 2HD LYS 12 -0.083 7.260 2.757 962 1HE LYS 12 1HE LYS 12 -0.797 9.402 3.281 963 2HE LYS 12 2HE LYS 12 -0.709 9.958 1.622 964 1HZ LYS 12 1HZ LYS 12 -2.959 9.808 2.182 965 2HZ LYS 12 2HZ LYS 12 -2.683 8.523 1.213 966 3HZ LYS 12 3HZ LYS 12 -2.815 8.314 2.827 967 H HIS 13 H HIS 13 4.940 6.294 0.648 968 HA HIS 13 HA HIS 13 5.333 4.472 -1.559 969 1HB HIS 13 1HB HIS 13 7.426 5.069 -1.065 970 2HB HIS 13 2HB HIS 13 6.973 5.706 0.503 971 HD1 HIS 13 HD1 HIS 13 9.092 3.231 -0.887 972 HD2 HIS 13 HD2 HIS 13 6.469 3.286 2.387 973 HE1 HIS 13 HE1 HIS 13 9.819 1.324 0.644 974 HE2 HIS 13 HE2 HIS 13 8.206 1.442 2.664 975 H VAL 14 H VAL 14 4.983 2.266 -1.501 976 HA VAL 14 HA VAL 14 3.847 1.261 1.017 977 HB VAL 14 HB VAL 14 3.250 0.571 -1.864 978 1HG1 VAL 14 1HG1 VAL 14 1.455 -0.676 0.014 979 2HG1 VAL 14 2HG1 VAL 14 2.468 -1.424 -1.244 980 3HG1 VAL 14 3HG1 VAL 14 3.131 -1.146 0.385 981 1HG2 VAL 14 1HG2 VAL 14 2.257 2.667 -0.683 982 2HG2 VAL 14 2HG2 VAL 14 1.167 1.575 -1.571 983 3HG2 VAL 14 3HG2 VAL 14 1.260 1.489 0.204 984 H LEU 15 H LEU 15 4.893 -0.401 2.008 985 HA LEU 15 HA LEU 15 6.802 -1.914 0.378 986 1HB LEU 15 1HB LEU 15 8.107 -0.291 1.539 987 2HB LEU 15 2HB LEU 15 7.285 -0.611 3.054 988 HG LEU 15 HG LEU 15 8.488 -3.043 2.037 989 1HD1 LEU 15 1HD1 LEU 15 10.336 -2.233 1.081 990 2HD1 LEU 15 2HD1 LEU 15 10.070 -0.596 1.728 991 3HD1 LEU 15 3HD1 LEU 15 10.859 -1.834 2.735 992 1HD2 LEU 15 1HD2 LEU 15 7.837 -2.828 4.328 993 2HD2 LEU 15 2HD2 LEU 15 9.611 -2.966 4.273 994 3HD2 LEU 15 3HD2 LEU 15 8.850 -1.380 4.541 995 H LEU 16 H LEU 16 6.723 -4.112 0.669 996 HA LEU 16 HA LEU 16 4.943 -5.023 2.823 997 1HB LEU 16 1HB LEU 16 3.784 -5.396 0.836 998 2HB LEU 16 2HB LEU 16 5.222 -5.888 -0.036 999 HG LEU 16 HG LEU 16 3.503 -7.684 0.593 1000 1HD1 LEU 16 1HD1 LEU 16 6.349 -8.243 1.452 1001 2HD1 LEU 16 2HD1 LEU 16 5.171 -9.372 0.740 1002 3HD1 LEU 16 3HD1 LEU 16 5.849 -8.054 -0.246 1003 1HD2 LEU 16 1HD2 LEU 16 4.771 -8.229 3.150 1004 2HD2 LEU 16 2HD2 LEU 16 3.902 -6.675 3.157 1005 3HD2 LEU 16 3HD2 LEU 16 3.046 -8.172 2.714 1006 H ALA 17 H ALA 17 5.643 -6.714 4.129 1007 HA ALA 17 HA ALA 17 8.081 -8.091 3.410 1008 1HB ALA 17 1HB ALA 17 9.049 -6.153 4.446 1009 2HB ALA 17 2HB ALA 17 7.865 -6.192 5.774 1010 3HB ALA 17 3HB ALA 17 9.106 -7.461 5.651 1011 H SER 18 H SER 18 8.276 -10.099 4.497 1012 HA SER 18 HA SER 18 6.008 -10.683 6.236 1013 1HB SER 18 1HB SER 18 7.121 -12.181 3.879 1014 2HB SER 18 2HB SER 18 6.522 -13.133 5.223 1015 HG SER 18 HG SER 18 5.048 -11.125 3.741 1016 H PHE 19 H PHE 19 6.587 -11.430 8.253 1017 HA PHE 19 HA PHE 19 9.375 -11.798 8.794 1018 1HB PHE 19 1HB PHE 19 6.729 -11.943 10.342 1019 2HB PHE 19 2HB PHE 19 8.252 -12.302 11.131 1020 HD1 PHE 19 HD1 PHE 19 9.580 -10.574 11.991 1021 HD2 PHE 19 HD2 PHE 19 6.463 -9.633 9.269 1022 HE1 PHE 19 HE1 PHE 19 9.917 -8.130 12.450 1023 HE2 PHE 19 HE2 PHE 19 6.801 -7.189 9.728 1024 HZ PHE 19 HZ PHE 19 8.524 -6.466 11.313 1025 H LYS 20 H LYS 20 10.420 -13.698 8.453 1026 HA LYS 20 HA LYS 20 9.040 -16.091 7.956 1027 1HB LYS 20 1HB LYS 20 11.405 -17.062 8.193 1028 2HB LYS 20 2HB LYS 20 11.118 -15.892 6.920 1029 1HG LYS 20 1HG LYS 20 12.568 -14.388 7.831 1030 2HG LYS 20 2HG LYS 20 11.872 -14.563 9.430 1031 1HD LYS 20 1HD LYS 20 13.159 -16.969 9.235 1032 2HD LYS 20 2HD LYS 20 14.192 -16.005 8.198 1033 1HE LYS 20 1HE LYS 20 14.498 -14.333 10.014 1034 2HE LYS 20 2HE LYS 20 13.410 -15.235 11.051 1035 1HZ LYS 20 1HZ LYS 20 14.937 -16.858 11.354 1036 2HZ LYS 20 2HZ LYS 20 15.672 -16.646 9.911 1037 3HZ LYS 20 3HZ LYS 20 15.961 -15.605 11.135 1038 H ASP 21 H ASP 21 9.539 -18.179 9.254 1039 HA ASP 21 HA ASP 21 8.635 -17.639 11.901 1040 1HB ASP 21 1HB ASP 21 8.044 -19.614 10.202 1041 2HB ASP 21 2HB ASP 21 9.453 -20.380 10.910 1042 H GLY 22 H GLY 22 9.944 -17.694 13.760 1043 1HA GLY 22 1HA GLY 22 11.844 -19.078 14.721 1044 2HA GLY 22 2HA GLY 22 12.767 -18.465 13.363 1045 H VAL 23 H VAL 23 10.802 -15.923 13.769 1046 HA VAL 23 HA VAL 23 12.705 -14.598 15.527 1047 HB VAL 23 HB VAL 23 10.669 -13.714 13.501 1048 1HG1 VAL 23 1HG1 VAL 23 10.225 -11.878 14.701 1049 2HG1 VAL 23 2HG1 VAL 23 11.486 -12.263 15.896 1050 3HG1 VAL 23 3HG1 VAL 23 11.910 -11.388 14.406 1051 1HG2 VAL 23 1HG2 VAL 23 13.351 -14.306 13.310 1052 2HG2 VAL 23 2HG2 VAL 23 12.437 -13.276 12.183 1053 3HG2 VAL 23 3HG2 VAL 23 13.364 -12.538 13.511 1054 H SER 24 H SER 24 12.154 -13.659 17.497 1055 HA SER 24 HA SER 24 10.064 -14.821 18.866 1056 1HB SER 24 1HB SER 24 11.886 -12.465 19.371 1057 2HB SER 24 2HB SER 24 10.549 -12.748 20.467 1058 HG SER 24 HG SER 24 11.511 -14.514 21.265 1059 HA PRO 25 HA PRO 25 6.695 -12.234 17.922 1060 1HB PRO 25 1HB PRO 25 5.129 -12.496 20.146 1061 2HB PRO 25 2HB PRO 25 5.192 -13.698 18.872 1062 1HG PRO 25 1HG PRO 25 6.406 -13.788 21.566 1063 2HG PRO 25 2HG PRO 25 6.094 -15.109 20.458 1064 1HD PRO 25 1HD PRO 25 8.628 -13.874 20.986 1065 2HD PRO 25 2HD PRO 25 8.295 -15.115 19.795 1066 H GLU 26 H GLU 26 8.172 -11.664 21.039 1067 HA GLU 26 HA GLU 26 7.023 -9.137 21.343 1068 1HB GLU 26 1HB GLU 26 8.528 -10.845 22.917 1069 2HB GLU 26 2HB GLU 26 9.682 -9.567 22.593 1070 1HG GLU 26 1HG GLU 26 8.298 -7.891 23.579 1071 2HG GLU 26 2HG GLU 26 6.856 -8.879 23.462 1072 H LYS 27 H LYS 27 9.919 -10.361 19.664 1073 HA LYS 27 HA LYS 27 11.291 -7.959 19.398 1074 1HB LYS 27 1HB LYS 27 11.387 -10.651 18.291 1075 2HB LYS 27 2HB LYS 27 11.799 -9.450 17.084 1076 1HG LYS 27 1HG LYS 27 13.016 -9.389 19.875 1077 2HG LYS 27 2HG LYS 27 13.721 -10.346 18.588 1078 1HD LYS 27 1HD LYS 27 14.293 -8.447 17.297 1079 2HD LYS 27 2HD LYS 27 13.091 -7.431 18.068 1080 1HE LYS 27 1HE LYS 27 14.976 -6.634 19.160 1081 2HE LYS 27 2HE LYS 27 14.565 -7.934 20.261 1082 1HZ LYS 27 1HZ LYS 27 16.317 -8.446 17.982 1083 2HZ LYS 27 2HZ LYS 27 16.919 -7.798 19.355 1084 3HZ LYS 27 3HZ LYS 27 16.204 -9.266 19.390 1085 H ILE 28 H ILE 28 8.488 -9.323 17.656 1086 HA ILE 28 HA ILE 28 8.559 -7.575 15.478 1087 HB ILE 28 HB ILE 28 6.338 -9.114 16.813 1088 1HG1 ILE 28 1HG1 ILE 28 7.820 -9.607 14.214 1089 2HG1 ILE 28 2HG1 ILE 28 8.206 -10.383 15.738 1090 1HG2 ILE 28 1HG2 ILE 28 4.841 -7.945 15.668 1091 2HG2 ILE 28 2HG2 ILE 28 6.119 -6.973 14.898 1092 3HG2 ILE 28 3HG2 ILE 28 5.604 -8.511 14.163 1093 1HD1 ILE 28 1HD1 ILE 28 6.033 -10.968 13.852 1094 2HD1 ILE 28 2HD1 ILE 28 6.683 -11.969 15.173 1095 3HD1 ILE 28 3HD1 ILE 28 5.431 -10.749 15.513 1096 H GLU 29 H GLU 29 6.984 -7.352 18.723 1097 HA GLU 29 HA GLU 29 5.767 -4.898 18.154 1098 1HB GLU 29 1HB GLU 29 5.711 -6.784 20.232 1099 2HB GLU 29 2HB GLU 29 6.376 -5.354 20.997 1100 1HG GLU 29 1HG GLU 29 4.172 -4.568 19.271 1101 2HG GLU 29 2HG GLU 29 3.641 -5.869 20.318 1102 H GLU 30 H GLU 30 8.814 -5.821 19.883 1103 HA GLU 30 HA GLU 30 9.541 -3.334 20.713 1104 1HB GLU 30 1HB GLU 30 10.923 -5.900 20.140 1105 2HB GLU 30 2HB GLU 30 11.971 -4.497 20.094 1106 1HG GLU 30 1HG GLU 30 10.126 -4.407 22.390 1107 2HG GLU 30 2HG GLU 30 11.108 -5.859 22.401 1108 H LEU 31 H LEU 31 9.916 -4.875 17.492 1109 HA LEU 31 HA LEU 31 11.599 -2.891 16.422 1110 1HB LEU 31 1HB LEU 31 10.257 -5.297 15.567 1111 2HB LEU 31 2HB LEU 31 10.091 -4.046 14.351 1112 HG LEU 31 HG LEU 31 12.826 -4.212 15.354 1113 1HD1 LEU 31 1HD1 LEU 31 13.021 -6.424 15.564 1114 2HD1 LEU 31 2HD1 LEU 31 11.440 -6.728 14.805 1115 3HD1 LEU 31 3HD1 LEU 31 12.882 -6.484 13.790 1116 1HD2 LEU 31 1HD2 LEU 31 11.495 -4.357 12.644 1117 2HD2 LEU 31 2HD2 LEU 31 12.394 -3.002 13.368 1118 3HD2 LEU 31 3HD2 LEU 31 13.256 -4.478 12.873 1119 H ILE 32 H ILE 32 8.014 -3.425 16.251 1120 HA ILE 32 HA ILE 32 7.507 -1.125 14.749 1121 HB ILE 32 HB ILE 32 5.830 -2.829 16.577 1122 1HG1 ILE 32 1HG1 ILE 32 6.001 -2.556 13.562 1123 2HG1 ILE 32 2HG1 ILE 32 6.595 -3.896 14.522 1124 1HG2 ILE 32 1HG2 ILE 32 3.878 -1.633 15.424 1125 2HG2 ILE 32 2HG2 ILE 32 4.715 -0.778 16.742 1126 3HG2 ILE 32 3HG2 ILE 32 5.053 -0.349 15.048 1127 1HD1 ILE 32 1HD1 ILE 32 3.993 -3.778 15.403 1128 2HD1 ILE 32 2HD1 ILE 32 3.808 -3.229 13.720 1129 3HD1 ILE 32 3HD1 ILE 32 4.546 -4.812 14.064 1130 H LYS 33 H LYS 33 7.640 -1.731 18.303 1131 HA LYS 33 HA LYS 33 6.753 0.785 19.083 1132 1HB LYS 33 1HB LYS 33 8.082 -1.534 20.306 1133 2HB LYS 33 2HB LYS 33 8.499 -0.013 21.068 1134 1HG LYS 33 1HG LYS 33 5.625 -0.856 20.476 1135 2HG LYS 33 2HG LYS 33 6.420 -1.164 22.007 1136 1HD LYS 33 1HD LYS 33 6.128 1.621 20.788 1137 2HD LYS 33 2HD LYS 33 5.002 0.950 21.952 1138 1HE LYS 33 1HE LYS 33 7.406 0.497 23.238 1139 2HE LYS 33 2HE LYS 33 7.772 1.974 22.369 1140 1HZ LYS 33 1HZ LYS 33 5.806 1.525 24.447 1141 2HZ LYS 33 2HZ LYS 33 6.804 2.798 24.218 1142 3HZ LYS 33 3HZ LYS 33 5.455 2.644 23.311 1143 H GLY 34 H GLY 34 10.007 -0.437 18.160 1144 1HA GLY 34 1HA GLY 34 11.358 1.985 18.850 1145 2HA GLY 34 2HA GLY 34 11.980 0.640 17.914 1146 H TYR 35 H TYR 35 10.226 0.465 15.747 1147 HA TYR 35 HA TYR 35 11.191 2.155 13.915 1148 1HB TYR 35 1HB TYR 35 8.831 0.449 14.386 1149 2HB TYR 35 2HB TYR 35 8.366 1.818 13.395 1150 HD1 TYR 35 HD1 TYR 35 8.971 1.939 11.091 1151 HD2 TYR 35 HD2 TYR 35 10.681 -1.083 13.589 1152 HE1 TYR 35 HE1 TYR 35 9.905 0.762 9.040 1153 HE2 TYR 35 HE2 TYR 35 11.609 -2.250 11.530 1154 HH TYR 35 HH TYR 35 11.308 -0.781 8.337 1155 H ALA 36 H ALA 36 8.258 2.771 15.955 1156 HA ALA 36 HA ALA 36 7.712 5.271 14.770 1157 1HB ALA 36 1HB ALA 36 6.935 4.055 17.451 1158 2HB ALA 36 2HB ALA 36 6.218 5.528 16.755 1159 3HB ALA 36 3HB ALA 36 6.010 3.963 15.933 1160 H ASN 37 H ASN 37 9.600 4.196 17.647 1161 HA ASN 37 HA ASN 37 10.059 6.728 18.648 1162 1HB ASN 37 1HB ASN 37 10.891 4.032 19.194 1163 2HB ASN 37 2HB ASN 37 12.359 4.981 19.073 1164 1HD2 ASN 37 1HD2 ASN 37 13.020 5.433 21.030 1165 2HD2 ASN 37 2HD2 ASN 37 12.075 6.072 22.334 1166 H LEU 38 H LEU 38 11.507 4.824 16.011 1167 HA LEU 38 HA LEU 38 13.874 6.399 15.805 1168 1HB LEU 38 1HB LEU 38 13.831 4.076 15.135 1169 2HB LEU 38 2HB LEU 38 12.576 4.397 13.954 1170 HG LEU 38 HG LEU 38 14.433 6.111 13.040 1171 1HD1 LEU 38 1HD1 LEU 38 15.975 5.384 14.932 1172 2HD1 LEU 38 2HD1 LEU 38 16.150 3.845 14.055 1173 3HD1 LEU 38 3HD1 LEU 38 16.653 5.369 13.287 1174 1HD2 LEU 38 1HD2 LEU 38 13.344 3.661 12.254 1175 2HD2 LEU 38 2HD2 LEU 38 14.271 4.803 11.251 1176 3HD2 LEU 38 3HD2 LEU 38 15.103 3.462 12.073 1177 H VAL 39 H VAL 39 10.650 6.300 14.198 1178 HA VAL 39 HA VAL 39 11.229 8.210 12.248 1179 HB VAL 39 HB VAL 39 8.635 7.452 13.606 1180 1HG1 VAL 39 1HG1 VAL 39 8.813 9.707 12.272 1181 2HG1 VAL 39 2HG1 VAL 39 8.792 8.639 10.849 1182 3HG1 VAL 39 3HG1 VAL 39 7.436 8.612 12.001 1183 1HG2 VAL 39 1HG2 VAL 39 9.017 6.516 10.879 1184 2HG2 VAL 39 2HG2 VAL 39 10.315 5.941 11.952 1185 3HG2 VAL 39 3HG2 VAL 39 8.614 5.601 12.352 1186 H ASN 40 H ASN 40 10.561 8.442 15.710 1187 HA ASN 40 HA ASN 40 9.712 11.089 15.713 1188 1HB ASN 40 1HB ASN 40 9.358 9.710 17.686 1189 2HB ASN 40 2HB ASN 40 11.063 9.323 17.808 1190 1HD2 ASN 40 1HD2 ASN 40 10.938 10.046 19.980 1191 2HD2 ASN 40 2HD2 ASN 40 11.024 11.729 20.382 1192 H LEU 41 H LEU 41 12.905 9.448 15.774 1193 HA LEU 41 HA LEU 41 14.340 11.869 16.335 1194 1HB LEU 41 1HB LEU 41 14.840 9.049 16.321 1195 2HB LEU 41 2HB LEU 41 16.038 9.840 15.316 1196 HG LEU 41 HG LEU 41 16.801 9.569 17.627 1197 1HD1 LEU 41 1HD1 LEU 41 18.025 11.313 16.952 1198 2HD1 LEU 41 2HD1 LEU 41 16.624 12.148 16.240 1199 3HD1 LEU 41 3HD1 LEU 41 16.951 12.287 17.984 1200 1HD2 LEU 41 1HD2 LEU 41 15.496 11.479 19.130 1201 2HD2 LEU 41 2HD2 LEU 41 14.172 10.699 18.232 1202 3HD2 LEU 41 3HD2 LEU 41 15.265 9.718 19.238 1203 H ILE 42 H ILE 42 13.899 9.668 13.483 1204 HA ILE 42 HA ILE 42 15.430 11.012 11.682 1205 HB ILE 42 HB ILE 42 12.802 9.578 11.306 1206 1HG1 ILE 42 1HG1 ILE 42 14.457 8.138 12.267 1207 2HG1 ILE 42 2HG1 ILE 42 14.276 7.714 10.576 1208 1HG2 ILE 42 1HG2 ILE 42 13.349 9.386 8.953 1209 2HG2 ILE 42 2HG2 ILE 42 13.246 11.101 9.418 1210 3HG2 ILE 42 3HG2 ILE 42 14.836 10.334 9.191 1211 1HD1 ILE 42 1HD1 ILE 42 16.274 9.296 10.115 1212 2HD1 ILE 42 2HD1 ILE 42 16.532 9.285 11.876 1213 3HD1 ILE 42 3HD1 ILE 42 16.634 7.767 10.952 1214 H GLU 43 H GLU 43 15.532 13.169 11.342 1215 HA GLU 43 HA GLU 43 13.534 14.923 11.973 1216 1HB GLU 43 1HB GLU 43 16.111 14.991 10.579 1217 2HB GLU 43 2HB GLU 43 14.986 16.138 9.878 1218 1HG GLU 43 1HG GLU 43 14.590 17.190 12.051 1219 2HG GLU 43 2HG GLU 43 15.493 15.938 12.881 1220 HA PRO 44 HA PRO 44 12.204 14.685 7.423 1221 1HB PRO 44 1HB PRO 44 13.209 12.722 5.809 1222 2HB PRO 44 2HB PRO 44 13.864 14.347 5.863 1223 1HG PRO 44 1HG PRO 44 14.970 11.863 7.023 1224 2HG PRO 44 2HG PRO 44 15.785 13.380 6.695 1225 1HD PRO 44 1HD PRO 44 14.911 12.418 9.253 1226 2HD PRO 44 2HD PRO 44 15.621 13.983 8.908 1227 H MET 45 H MET 45 11.130 12.806 5.783 1228 HA MET 45 HA MET 45 9.602 11.260 5.682 1229 1HB MET 45 1HB MET 45 11.430 10.032 7.189 1230 2HB MET 45 2HB MET 45 10.273 10.265 8.484 1231 1HG MET 45 1HG MET 45 8.760 9.259 6.285 1232 2HG MET 45 2HG MET 45 10.230 8.305 6.317 1233 1HE MET 45 1HE MET 45 11.175 7.189 8.066 1234 2HE MET 45 2HE MET 45 10.911 7.883 9.684 1235 3HE MET 45 3HE MET 45 10.254 6.277 9.286 1236 H LYS 46 H LYS 46 7.571 12.127 5.735 1237 HA LYS 46 HA LYS 46 6.549 13.812 7.576 1238 1HB LYS 46 1HB LYS 46 5.647 12.870 5.283 1239 2HB LYS 46 2HB LYS 46 4.735 11.782 6.311 1240 1HG LYS 46 1HG LYS 46 3.309 13.675 6.005 1241 2HG LYS 46 2HG LYS 46 3.958 13.859 7.622 1242 1HD LYS 46 1HD LYS 46 5.862 15.142 5.986 1243 2HD LYS 46 2HD LYS 46 4.328 15.576 5.259 1244 1HE LYS 46 1HE LYS 46 3.562 16.115 7.718 1245 2HE LYS 46 2HE LYS 46 5.272 16.096 8.101 1246 1HZ LYS 46 1HZ LYS 46 4.174 18.261 7.348 1247 2HZ LYS 46 2HZ LYS 46 5.654 17.895 6.764 1248 3HZ LYS 46 3HZ LYS 46 4.331 17.667 5.835 1249 H ALA 47 H ALA 47 5.593 10.305 7.508 1250 HA ALA 47 HA ALA 47 6.133 9.990 10.276 1251 1HB ALA 47 1HB ALA 47 3.554 9.500 10.668 1252 2HB ALA 47 2HB ALA 47 4.207 11.145 10.855 1253 3HB ALA 47 3HB ALA 47 3.355 10.690 9.360 1254 H PHE 48 H PHE 48 5.716 7.754 10.965 1255 HA PHE 48 HA PHE 48 5.603 6.001 8.628 1256 1HB PHE 48 1HB PHE 48 7.584 5.553 9.864 1257 2HB PHE 48 2HB PHE 48 6.860 6.050 11.381 1258 HD1 PHE 48 HD1 PHE 48 7.002 3.293 8.920 1259 HD2 PHE 48 HD2 PHE 48 5.884 4.465 12.842 1260 HE1 PHE 48 HE1 PHE 48 6.642 0.887 9.536 1261 HE2 PHE 48 HE2 PHE 48 5.524 2.059 13.458 1262 HZ PHE 48 HZ PHE 48 5.907 0.299 11.798 1263 H HIS 49 H HIS 49 3.790 4.819 8.263 1264 HA HIS 49 HA HIS 49 1.994 4.463 10.546 1265 1HB HIS 49 1HB HIS 49 1.581 5.281 7.788 1266 2HB HIS 49 2HB HIS 49 0.602 3.881 8.179 1267 HD1 HIS 49 HD1 HIS 49 0.439 7.443 8.260 1268 HD2 HIS 49 HD2 HIS 49 -0.835 4.401 10.853 1269 HE1 HIS 49 HE1 HIS 49 -1.348 8.481 9.756 1270 HE2 HIS 49 HE2 HIS 49 -2.132 6.551 11.291 1271 H TRP 50 H TRP 50 0.839 2.372 10.696 1272 HA TRP 50 HA TRP 50 2.021 0.200 9.175 1273 1HB TRP 50 1HB TRP 50 3.028 -0.913 10.869 1274 2HB TRP 50 2HB TRP 50 3.352 0.735 11.369 1275 HD1 TRP 50 HD1 TRP 50 1.892 1.655 13.523 1276 HE1 TRP 50 HE1 TRP 50 0.678 0.463 15.541 1277 HE3 TRP 50 HE3 TRP 50 1.761 -2.963 11.400 1278 HZ2 TRP 50 HZ2 TRP 50 -0.181 -2.217 16.012 1279 HZ3 TRP 50 HZ3 TRP 50 0.718 -4.813 12.706 1280 HH2 TRP 50 HH2 TRP 50 -0.232 -4.498 14.936 1281 H GLY 51 H GLY 51 0.591 -1.622 9.089 1282 1HA GLY 51 1HA GLY 51 -1.860 -1.519 10.664 1283 2HA GLY 51 2HA GLY 51 -2.036 -1.307 8.933 1284 H LYS 52 H LYS 52 -3.272 -3.488 10.075 1285 HA LYS 52 HA LYS 52 -1.495 -5.704 9.322 1286 1HB LYS 52 1HB LYS 52 -2.441 -7.054 10.969 1287 2HB LYS 52 2HB LYS 52 -2.244 -5.508 11.768 1288 1HG LYS 52 1HG LYS 52 -4.608 -4.954 11.433 1289 2HG LYS 52 2HG LYS 52 -4.845 -6.364 10.420 1290 1HD LYS 52 1HD LYS 52 -4.116 -6.400 13.387 1291 2HD LYS 52 2HD LYS 52 -5.691 -6.773 12.715 1292 1HE LYS 52 1HE LYS 52 -4.477 -8.617 11.329 1293 2HE LYS 52 2HE LYS 52 -3.110 -8.357 12.395 1294 1HZ LYS 52 1HZ LYS 52 -4.342 -10.012 13.394 1295 2HZ LYS 52 2HZ LYS 52 -4.786 -8.687 14.239 1296 3HZ LYS 52 3HZ LYS 52 -5.783 -9.302 13.102 1297 H ASP 53 H ASP 53 -2.510 -7.497 8.159 1298 HA ASP 53 HA ASP 53 -4.349 -6.470 6.260 1299 1HB ASP 53 1HB ASP 53 -3.366 -9.338 6.625 1300 2HB ASP 53 2HB ASP 53 -4.087 -8.669 5.175 1301 H VAL 54 H VAL 54 -6.598 -6.807 6.265 1302 HA VAL 54 HA VAL 54 -7.620 -8.624 8.334 1303 HB VAL 54 HB VAL 54 -9.488 -7.218 8.551 1304 1HG1 VAL 54 1HG1 VAL 54 -7.267 -5.208 8.144 1305 2HG1 VAL 54 2HG1 VAL 54 -8.554 -5.220 9.373 1306 3HG1 VAL 54 3HG1 VAL 54 -7.227 -6.402 9.464 1307 1HG2 VAL 54 1HG2 VAL 54 -10.403 -6.223 6.778 1308 2HG2 VAL 54 2HG2 VAL 54 -9.074 -5.039 6.780 1309 3HG2 VAL 54 3HG2 VAL 54 -8.939 -6.528 5.814 1310 H SER 55 H SER 55 -9.450 -9.976 7.795 1311 HA SER 55 HA SER 55 -10.703 -11.214 6.515 1312 1HB SER 55 1HB SER 55 -10.809 -8.832 5.154 1313 2HB SER 55 2HB SER 55 -10.135 -9.869 3.912 1314 HG SER 55 HG SER 55 -12.379 -10.839 5.390 1315 H ILE 56 H ILE 56 -8.561 -12.496 7.077 1316 HA ILE 56 HA ILE 56 -6.999 -13.064 4.693 1317 HB ILE 56 HB ILE 56 -5.539 -14.274 6.177 1318 1HG1 ILE 56 1HG1 ILE 56 -6.302 -13.831 8.764 1319 2HG1 ILE 56 2HG1 ILE 56 -7.855 -14.136 8.011 1320 1HG2 ILE 56 1HG2 ILE 56 -5.557 -11.698 5.977 1321 2HG2 ILE 56 2HG2 ILE 56 -6.189 -11.726 7.641 1322 3HG2 ILE 56 3HG2 ILE 56 -4.605 -12.452 7.278 1323 1HD1 ILE 56 1HD1 ILE 56 -5.634 -15.985 7.222 1324 2HD1 ILE 56 2HD1 ILE 56 -6.234 -16.126 8.892 1325 3HD1 ILE 56 3HD1 ILE 56 -7.353 -16.335 7.524 1326 H GLU 57 H GLU 57 -9.988 -13.825 5.383 1327 HA GLU 57 HA GLU 57 -10.384 -16.378 5.873 1328 1HB GLU 57 1HB GLU 57 -11.822 -14.345 4.606 1329 2HB GLU 57 2HB GLU 57 -11.795 -15.612 3.396 1330 1HG GLU 57 1HG GLU 57 -12.405 -17.157 5.522 1331 2HG GLU 57 2HG GLU 57 -13.018 -15.641 6.150 1332 H ASN 58 H ASN 58 -9.444 -15.124 2.590 1333 HA ASN 58 HA ASN 58 -7.653 -17.125 2.097 1334 1HB ASN 58 1HB ASN 58 -10.159 -18.272 2.006 1335 2HB ASN 58 2HB ASN 58 -10.004 -17.753 0.339 1336 1HD2 ASN 58 1HD2 ASN 58 -10.008 -20.422 1.630 1337 2HD2 ASN 58 2HD2 ASN 58 -8.575 -21.232 1.093 1338 H LEU 59 H LEU 59 -6.773 -15.013 1.326 1339 HA LEU 59 HA LEU 59 -6.924 -14.671 -1.409 1340 1HB LEU 59 1HB LEU 59 -9.239 -13.723 -0.347 1341 2HB LEU 59 2HB LEU 59 -8.249 -12.278 -0.305 1342 HG LEU 59 HG LEU 59 -9.534 -12.315 -2.339 1343 1HD1 LEU 59 1HD1 LEU 59 -7.886 -11.528 -3.649 1344 2HD1 LEU 59 2HD1 LEU 59 -6.867 -11.824 -2.220 1345 3HD1 LEU 59 3HD1 LEU 59 -6.929 -13.024 -3.533 1346 1HD2 LEU 59 1HD2 LEU 59 -8.666 -14.286 -3.997 1347 2HD2 LEU 59 2HD2 LEU 59 -8.675 -15.136 -2.434 1348 3HD2 LEU 59 3HD2 LEU 59 -10.160 -14.359 -3.032 1349 H HIS 60 H HIS 60 -4.796 -14.993 0.147 1350 HA HIS 60 HA HIS 60 -3.435 -12.517 -0.183 1351 1HB HIS 60 1HB HIS 60 -2.856 -12.027 2.042 1352 2HB HIS 60 2HB HIS 60 -4.593 -12.256 2.046 1353 HD1 HIS 60 HD1 HIS 60 -1.467 -13.512 3.567 1354 HD2 HIS 60 HD2 HIS 60 -5.444 -14.798 3.206 1355 HE1 HIS 60 HE1 HIS 60 -1.779 -15.366 5.293 1356 HE2 HIS 60 HE2 HIS 60 -4.256 -16.078 5.061 1357 H GLN 61 H GLN 61 -1.248 -12.883 -0.546 1358 HA GLN 61 HA GLN 61 -0.541 -15.635 -0.765 1359 1HB GLN 61 1HB GLN 61 0.135 -13.307 -2.135 1360 2HB GLN 61 2HB GLN 61 1.594 -13.638 -1.222 1361 1HG GLN 61 1HG GLN 61 1.597 -14.757 -3.463 1362 2HG GLN 61 2HG GLN 61 1.741 -15.903 -2.145 1363 1HE2 GLN 61 1HE2 GLN 61 -0.703 -14.253 -4.134 1364 2HE2 GLN 61 2HE2 GLN 61 -1.797 -15.586 -4.294 1365 H GLY 62 H GLY 62 -0.393 -13.253 1.688 1366 1HA GLY 62 1HA GLY 62 0.340 -14.174 3.843 1367 2HA GLY 62 2HA GLY 62 1.802 -14.711 3.038 1368 H TYR 63 H TYR 63 -0.004 -11.589 2.671 1369 HA TYR 63 HA TYR 63 2.333 -10.054 2.670 1370 1HB TYR 63 1HB TYR 63 -0.661 -9.787 2.843 1371 2HB TYR 63 2HB TYR 63 0.210 -8.412 3.492 1372 HD1 TYR 63 HD1 TYR 63 1.589 -6.987 2.030 1373 HD2 TYR 63 HD2 TYR 63 -0.637 -10.284 0.457 1374 HE1 TYR 63 HE1 TYR 63 1.879 -6.069 -0.323 1375 HE2 TYR 63 HE2 TYR 63 -0.340 -9.355 -1.891 1376 HH TYR 63 HH TYR 63 1.764 -7.564 -2.865 1377 H THR 64 H THR 64 -0.001 -10.920 5.280 1378 HA THR 64 HA THR 64 0.163 -10.794 7.495 1379 HB THR 64 HB THR 64 3.132 -10.173 7.137 1380 HG1 THR 64 HG1 THR 64 2.048 -11.993 5.788 1381 1HG2 THR 64 1HG2 THR 64 3.266 -10.777 9.336 1382 2HG2 THR 64 2HG2 THR 64 1.487 -10.821 9.393 1383 3HG2 THR 64 3HG2 THR 64 2.402 -12.295 8.993 1384 H HIS 65 H HIS 65 2.453 -8.260 6.257 1385 HA HIS 65 HA HIS 65 0.649 -6.221 7.075 1386 1HB HIS 65 1HB HIS 65 3.255 -6.365 8.602 1387 2HB HIS 65 2HB HIS 65 1.949 -5.216 8.816 1388 HD1 HIS 65 HD1 HIS 65 2.693 -8.926 9.319 1389 HD2 HIS 65 HD2 HIS 65 -0.002 -5.984 10.615 1390 HE1 HIS 65 HE1 HIS 65 1.324 -9.986 11.193 1391 HE2 HIS 65 HE2 HIS 65 -0.276 -8.114 11.986 1392 H ILE 66 H ILE 66 1.564 -4.017 6.543 1393 HA ILE 66 HA ILE 66 3.840 -4.195 4.718 1394 HB ILE 66 HB ILE 66 2.637 -2.830 3.071 1395 1HG1 ILE 66 1HG1 ILE 66 -0.061 -3.305 3.656 1396 2HG1 ILE 66 2HG1 ILE 66 0.624 -2.746 5.170 1397 1HG2 ILE 66 1HG2 ILE 66 2.351 -4.792 2.081 1398 2HG2 ILE 66 2HG2 ILE 66 2.253 -5.615 3.656 1399 3HG2 ILE 66 3HG2 ILE 66 0.781 -4.954 2.904 1400 1HD1 ILE 66 1HD1 ILE 66 0.998 -0.632 4.373 1401 2HD1 ILE 66 2HD1 ILE 66 1.547 -1.224 2.787 1402 3HD1 ILE 66 3HD1 ILE 66 -0.194 -1.087 3.132 1403 H PHE 67 H PHE 67 5.043 -2.234 4.523 1404 HA PHE 67 HA PHE 67 4.387 -0.333 6.659 1405 1HB PHE 67 1HB PHE 67 6.956 -1.287 5.276 1406 2HB PHE 67 2HB PHE 67 6.953 0.151 6.277 1407 HD1 PHE 67 HD1 PHE 67 5.574 -3.314 6.598 1408 HD2 PHE 67 HD2 PHE 67 7.846 -0.194 8.362 1409 HE1 PHE 67 HE1 PHE 67 5.938 -4.732 8.637 1410 HE2 PHE 67 HE2 PHE 67 8.210 -1.613 10.401 1411 HZ PHE 67 HZ PHE 67 7.252 -3.865 10.514 1412 H GLU 68 H GLU 68 3.667 1.635 6.012 1413 HA GLU 68 HA GLU 68 4.623 2.555 3.414 1414 1HB GLU 68 1HB GLU 68 2.244 1.858 3.275 1415 2HB GLU 68 2HB GLU 68 1.837 2.936 4.596 1416 1HG GLU 68 1HG GLU 68 3.210 4.608 2.806 1417 2HG GLU 68 2HG GLU 68 2.293 3.557 1.746 1418 H SER 69 H SER 69 5.464 4.633 3.365 1419 HA SER 69 HA SER 69 5.144 6.137 5.845 1420 1HB SER 69 1HB SER 69 7.483 5.104 5.178 1421 2HB SER 69 2HB SER 69 7.556 6.433 4.038 1422 HG SER 69 HG SER 69 6.846 7.668 6.212 1423 H THR 70 H THR 70 4.457 8.276 5.642 1424 HA THR 70 HA THR 70 3.636 9.106 3.001 1425 HB THR 70 HB THR 70 3.323 10.221 5.833 1426 HG1 THR 70 HG1 THR 70 1.643 8.800 5.625 1427 1HG2 THR 70 1HG2 THR 70 2.639 11.379 3.144 1428 2HG2 THR 70 2HG2 THR 70 1.348 11.405 4.369 1429 3HG2 THR 70 3HG2 THR 70 2.901 12.210 4.696 1430 H PHE 71 H PHE 71 4.694 10.400 1.634 1431 HA PHE 71 HA PHE 71 6.875 11.993 2.783 1432 1HB PHE 71 1HB PHE 71 6.631 10.209 0.312 1433 2HB PHE 71 2HB PHE 71 7.783 11.530 0.298 1434 HD1 PHE 71 HD1 PHE 71 8.945 11.515 2.939 1435 HD2 PHE 71 HD2 PHE 71 7.792 8.228 0.514 1436 HE1 PHE 71 HE1 PHE 71 10.625 10.062 4.109 1437 HE2 PHE 71 HE2 PHE 71 9.472 6.776 1.685 1438 HZ PHE 71 HZ PHE 71 10.868 7.710 3.468 1439 H GLU 72 H GLU 72 7.544 13.838 1.244 1440 HA GLU 72 HA GLU 72 5.377 14.691 -0.450 1441 1HB GLU 72 1HB GLU 72 5.239 16.926 0.639 1442 2HB GLU 72 2HB GLU 72 4.726 15.638 1.711 1443 1HG GLU 72 1HG GLU 72 7.614 16.085 1.943 1444 2HG GLU 72 2HG GLU 72 6.736 17.578 2.211 1445 H SER 73 H SER 73 8.069 13.727 -0.963 1446 HA SER 73 HA SER 73 8.902 15.569 -2.776 1447 1HB SER 73 1HB SER 73 9.979 16.076 -0.051 1448 2HB SER 73 2HB SER 73 11.202 16.002 -1.304 1449 HG SER 73 HG SER 73 10.172 17.686 -2.442 1450 H LYS 74 H LYS 74 10.085 14.350 -4.217 1451 HA LYS 74 HA LYS 74 10.784 11.717 -3.587 1452 1HB LYS 74 1HB LYS 74 11.668 11.622 -5.822 1453 2HB LYS 74 2HB LYS 74 10.175 12.538 -5.841 1454 1HG LYS 74 1HG LYS 74 11.545 14.672 -5.718 1455 2HG LYS 74 2HG LYS 74 12.999 13.703 -5.845 1456 1HD LYS 74 1HD LYS 74 10.754 13.639 -7.914 1457 2HD LYS 74 2HD LYS 74 12.157 14.681 -8.048 1458 1HE LYS 74 1HE LYS 74 12.862 11.856 -7.486 1459 2HE LYS 74 2HE LYS 74 11.988 12.058 -8.991 1460 1HZ LYS 74 1HZ LYS 74 14.097 12.473 -9.647 1461 2HZ LYS 74 2HZ LYS 74 13.661 14.002 -9.275 1462 3HZ LYS 74 3HZ LYS 74 14.569 13.135 -8.231 1463 H GLU 75 H GLU 75 12.684 14.774 -3.772 1464 HA GLU 75 HA GLU 75 15.163 13.620 -3.483 1465 1HB GLU 75 1HB GLU 75 14.095 16.343 -2.637 1466 2HB GLU 75 2HB GLU 75 15.792 15.920 -2.524 1467 1HG GLU 75 1HG GLU 75 15.554 15.226 -5.054 1468 2HG GLU 75 2HG GLU 75 14.079 16.170 -5.019 1469 H ALA 76 H ALA 76 12.606 14.335 -1.111 1470 HA ALA 76 HA ALA 76 14.182 14.175 1.199 1471 1HB ALA 76 1HB ALA 76 12.175 14.950 1.874 1472 2HB ALA 76 2HB ALA 76 11.356 14.288 0.439 1473 3HB ALA 76 3HB ALA 76 11.628 13.256 1.864 1474 H VAL 77 H VAL 77 12.241 11.698 -0.606 1475 HA VAL 77 HA VAL 77 12.693 9.574 1.076 1476 HB VAL 77 HB VAL 77 11.363 9.990 -1.223 1477 1HG1 VAL 77 1HG1 VAL 77 12.257 8.962 -3.092 1478 2HG1 VAL 77 2HG1 VAL 77 13.709 9.697 -2.373 1479 3HG1 VAL 77 3HG1 VAL 77 13.382 7.963 -2.141 1480 1HG2 VAL 77 1HG2 VAL 77 11.755 7.149 -1.002 1481 2HG2 VAL 77 2HG2 VAL 77 11.735 7.870 0.625 1482 3HG2 VAL 77 3HG2 VAL 77 10.368 8.137 -0.484 1483 H ALA 78 H ALA 78 14.878 11.223 -1.166 1484 HA ALA 78 HA ALA 78 16.771 9.116 -1.320 1485 1HB ALA 78 1HB ALA 78 17.601 10.482 -2.899 1486 2HB ALA 78 2HB ALA 78 16.311 11.643 -2.506 1487 3HB ALA 78 3HB ALA 78 17.893 11.764 -1.699 1488 H GLU 79 H GLU 79 16.394 12.088 0.706 1489 HA GLU 79 HA GLU 79 18.798 11.820 2.035 1490 1HB GLU 79 1HB GLU 79 16.495 13.508 2.139 1491 2HB GLU 79 2HB GLU 79 16.760 12.938 3.775 1492 1HG GLU 79 1HG GLU 79 19.103 13.703 3.716 1493 2HG GLU 79 2HG GLU 79 18.955 14.145 2.027 1494 H TYR 80 H TYR 80 15.542 10.425 2.666 1495 HA TYR 80 HA TYR 80 16.171 9.353 5.192 1496 1HB TYR 80 1HB TYR 80 13.867 9.705 4.296 1497 2HB TYR 80 2HB TYR 80 14.211 8.684 2.914 1498 HD1 TYR 80 HD1 TYR 80 12.851 6.805 3.018 1499 HD2 TYR 80 HD2 TYR 80 14.755 8.174 6.596 1500 HE1 TYR 80 HE1 TYR 80 11.936 4.797 4.282 1501 HE2 TYR 80 HE2 TYR 80 13.834 6.162 7.848 1502 HH TYR 80 HH TYR 80 11.449 4.538 7.137 1503 H ILE 81 H ILE 81 16.071 7.879 1.872 1504 HA ILE 81 HA ILE 81 16.923 5.353 2.750 1505 HB ILE 81 HB ILE 81 16.758 6.757 0.108 1506 1HG1 ILE 81 1HG1 ILE 81 15.424 4.212 1.056 1507 2HG1 ILE 81 2HG1 ILE 81 14.747 5.802 1.350 1508 1HG2 ILE 81 1HG2 ILE 81 18.249 4.241 0.732 1509 2HG2 ILE 81 2HG2 ILE 81 17.312 4.335 -0.778 1510 3HG2 ILE 81 3HG2 ILE 81 18.601 5.520 -0.454 1511 1HD1 ILE 81 1HD1 ILE 81 14.883 6.243 -1.157 1512 2HD1 ILE 81 2HD1 ILE 81 15.338 4.534 -1.359 1513 3HD1 ILE 81 3HD1 ILE 81 13.745 4.958 -0.686 1514 H ALA 82 H ALA 82 18.593 8.385 2.068 1515 HA ALA 82 HA ALA 82 21.159 7.139 1.779 1516 1HB ALA 82 1HB ALA 82 21.862 9.624 2.012 1517 2HB ALA 82 2HB ALA 82 20.879 9.167 0.600 1518 3HB ALA 82 3HB ALA 82 20.117 9.975 1.990 1519 H HIS 83 H HIS 83 19.060 8.208 4.382 1520 HA HIS 83 HA HIS 83 21.003 8.778 6.291 1521 1HB HIS 83 1HB HIS 83 18.329 8.997 6.183 1522 2HB HIS 83 2HB HIS 83 18.431 7.523 7.127 1523 HD1 HIS 83 HD1 HIS 83 19.339 7.693 9.553 1524 HD2 HIS 83 HD2 HIS 83 19.320 11.338 7.477 1525 HE1 HIS 83 HE1 HIS 83 19.764 9.509 11.294 1526 HE2 HIS 83 HE2 HIS 83 19.796 11.720 9.951 1527 HA PRO 84 HA PRO 84 22.525 4.792 7.084 1528 1HB PRO 84 1HB PRO 84 24.043 5.347 9.287 1529 2HB PRO 84 2HB PRO 84 24.596 5.625 7.648 1530 1HG PRO 84 1HG PRO 84 23.678 7.594 9.652 1531 2HG PRO 84 2HG PRO 84 24.617 7.864 8.197 1532 1HD PRO 84 1HD PRO 84 21.826 8.415 8.566 1533 2HD PRO 84 2HD PRO 84 22.738 8.576 7.079 1534 H ALA 85 H ALA 85 20.960 6.614 9.607 1535 HA ALA 85 HA ALA 85 20.643 4.504 11.398 1536 1HB ALA 85 1HB ALA 85 19.369 6.014 12.575 1537 2HB ALA 85 2HB ALA 85 20.161 7.148 11.455 1538 3HB ALA 85 3HB ALA 85 18.506 6.583 11.126 1539 H HIS 86 H HIS 86 18.728 5.574 8.544 1540 HA HIS 86 HA HIS 86 16.659 3.692 9.040 1541 1HB HIS 86 1HB HIS 86 15.998 5.604 7.873 1542 2HB HIS 86 2HB HIS 86 17.380 5.558 6.796 1543 HD1 HIS 86 HD1 HIS 86 16.125 5.462 4.582 1544 HD2 HIS 86 HD2 HIS 86 14.953 2.460 7.267 1545 HE1 HIS 86 HE1 HIS 86 14.621 3.875 3.267 1546 HE2 HIS 86 HE2 HIS 86 13.976 2.022 4.954 1547 H VAL 87 H VAL 87 19.716 3.769 7.195 1548 HA VAL 87 HA VAL 87 19.175 1.402 5.731 1549 HB VAL 87 HB VAL 87 21.512 3.180 6.264 1550 1HG1 VAL 87 1HG1 VAL 87 22.745 1.224 6.455 1551 2HG1 VAL 87 2HG1 VAL 87 21.679 0.316 5.357 1552 3HG1 VAL 87 3HG1 VAL 87 22.808 1.526 4.702 1553 1HG2 VAL 87 1HG2 VAL 87 20.612 4.000 4.372 1554 2HG2 VAL 87 2HG2 VAL 87 21.408 2.622 3.574 1555 3HG2 VAL 87 3HG2 VAL 87 19.696 2.509 4.047 1556 H GLU 88 H GLU 88 20.872 2.182 8.818 1557 HA GLU 88 HA GLU 88 21.864 -0.363 9.239 1558 1HB GLU 88 1HB GLU 88 22.055 2.065 10.514 1559 2HB GLU 88 2HB GLU 88 21.048 1.188 11.649 1560 1HG GLU 88 1HG GLU 88 22.810 -0.747 11.383 1561 2HG GLU 88 2HG GLU 88 23.843 0.486 10.687 1562 H PHE 89 H PHE 89 18.696 1.145 10.007 1563 HA PHE 89 HA PHE 89 17.805 -1.086 11.538 1564 1HB PHE 89 1HB PHE 89 17.088 1.609 10.992 1565 2HB PHE 89 2HB PHE 89 15.801 0.693 10.234 1566 HD1 PHE 89 HD1 PHE 89 14.168 -0.464 11.546 1567 HD2 PHE 89 HD2 PHE 89 17.468 1.422 13.434 1568 HE1 PHE 89 HE1 PHE 89 13.044 -0.728 13.774 1569 HE2 PHE 89 HE2 PHE 89 16.343 1.158 15.663 1570 HZ PHE 89 HZ PHE 89 14.144 0.086 15.806 1571 H ALA 90 H ALA 90 17.285 0.138 8.173 1572 HA ALA 90 HA ALA 90 15.405 -1.825 7.473 1573 1HB ALA 90 1HB ALA 90 16.267 -1.140 5.103 1574 2HB ALA 90 2HB ALA 90 15.465 0.086 6.114 1575 3HB ALA 90 3HB ALA 90 17.241 0.060 5.986 1576 H THR 91 H THR 91 18.971 -1.734 7.576 1577 HA THR 91 HA THR 91 19.372 -4.046 5.995 1578 HB THR 91 HB THR 91 21.020 -2.497 8.050 1579 HG1 THR 91 HG1 THR 91 20.853 -2.908 5.151 1580 1HG2 THR 91 1HG2 THR 91 22.108 -4.634 8.077 1581 2HG2 THR 91 2HG2 THR 91 21.712 -4.946 6.370 1582 3HG2 THR 91 3HG2 THR 91 22.952 -3.740 6.790 1583 H ILE 92 H ILE 92 18.946 -3.502 9.528 1584 HA ILE 92 HA ILE 92 19.375 -6.262 10.109 1585 HB ILE 92 HB ILE 92 18.499 -3.845 11.650 1586 1HG1 ILE 92 1HG1 ILE 92 20.793 -5.734 12.192 1587 2HG1 ILE 92 2HG1 ILE 92 20.933 -4.415 11.047 1588 1HG2 ILE 92 1HG2 ILE 92 18.242 -6.726 12.473 1589 2HG2 ILE 92 2HG2 ILE 92 18.594 -5.462 13.676 1590 3HG2 ILE 92 3HG2 ILE 92 17.107 -5.374 12.701 1591 1HD1 ILE 92 1HD1 ILE 92 20.009 -4.028 13.928 1592 2HD1 ILE 92 2HD1 ILE 92 21.699 -3.847 13.398 1593 3HD1 ILE 92 3HD1 ILE 92 20.444 -2.759 12.758 1594 H PHE 93 H PHE 93 16.606 -4.151 9.346 1595 HA PHE 93 HA PHE 93 14.611 -5.908 10.232 1596 1HB PHE 93 1HB PHE 93 14.459 -3.421 9.608 1597 2HB PHE 93 2HB PHE 93 14.669 -3.868 7.926 1598 HD1 PHE 93 HD1 PHE 93 12.514 -5.125 10.716 1599 HD2 PHE 93 HD2 PHE 93 12.718 -3.675 6.733 1600 HE1 PHE 93 HE1 PHE 93 10.032 -5.415 10.483 1601 HE2 PHE 93 HE2 PHE 93 10.236 -3.966 6.500 1602 HZ PHE 93 HZ PHE 93 8.922 -4.832 8.378 1603 H LEU 94 H LEU 94 16.514 -5.673 7.215 1604 HA LEU 94 HA LEU 94 14.831 -7.345 5.691 1605 1HB LEU 94 1HB LEU 94 16.288 -6.972 4.031 1606 2HB LEU 94 2HB LEU 94 16.795 -5.670 5.089 1607 HG LEU 94 HG LEU 94 18.538 -7.352 6.005 1608 1HD1 LEU 94 1HD1 LEU 94 18.460 -9.421 5.207 1609 2HD1 LEU 94 2HD1 LEU 94 17.249 -8.967 3.984 1610 3HD1 LEU 94 3HD1 LEU 94 18.983 -8.777 3.632 1611 1HD2 LEU 94 1HD2 LEU 94 20.118 -6.415 4.647 1612 2HD2 LEU 94 2HD2 LEU 94 19.150 -6.637 3.170 1613 3HD2 LEU 94 3HD2 LEU 94 18.748 -5.330 4.310 1614 H GLY 95 H GLY 95 17.547 -7.895 7.955 1615 1HA GLY 95 1HA GLY 95 17.862 -10.658 7.313 1616 2HA GLY 95 2HA GLY 95 18.510 -9.800 8.697 1617 H SER 96 H SER 96 15.698 -8.759 9.392 1618 HA SER 96 HA SER 96 15.021 -11.048 10.967 1619 1HB SER 96 1HB SER 96 13.765 -9.569 12.293 1620 2HB SER 96 2HB SER 96 15.062 -8.547 11.708 1621 HG SER 96 HG SER 96 13.162 -7.390 11.379 1622 H LEU 97 H LEU 97 13.622 -9.043 8.317 1623 HA LEU 97 HA LEU 97 11.243 -10.690 8.261 1624 1HB LEU 97 1HB LEU 97 10.365 -9.123 6.775 1625 2HB LEU 97 2HB LEU 97 11.243 -8.199 7.978 1626 HG LEU 97 HG LEU 97 13.188 -8.403 6.136 1627 1HD1 LEU 97 1HD1 LEU 97 10.727 -8.224 4.396 1628 2HD1 LEU 97 2HD1 LEU 97 12.432 -8.374 3.908 1629 3HD1 LEU 97 3HD1 LEU 97 11.600 -9.751 4.669 1630 1HD2 LEU 97 1HD2 LEU 97 11.529 -6.410 7.122 1631 2HD2 LEU 97 2HD2 LEU 97 12.975 -6.188 6.108 1632 3HD2 LEU 97 3HD2 LEU 97 11.364 -6.270 5.355 1633 H ASP 98 H ASP 98 10.612 -11.995 6.448 1634 HA ASP 98 HA ASP 98 12.712 -13.490 5.436 1635 1HB ASP 98 1HB ASP 98 10.514 -14.475 5.653 1636 2HB ASP 98 2HB ASP 98 9.777 -13.224 4.673 1637 H LYS 99 H LYS 99 10.193 -11.788 3.433 1638 HA LYS 99 HA LYS 99 12.367 -10.825 1.707 1639 1HB LYS 99 1HB LYS 99 10.837 -11.168 -0.214 1640 2HB LYS 99 2HB LYS 99 11.308 -12.660 0.575 1641 1HG LYS 99 1HG LYS 99 9.123 -13.167 0.883 1642 2HG LYS 99 2HG LYS 99 8.960 -11.775 1.935 1643 1HD LYS 99 1HD LYS 99 8.460 -10.323 -0.014 1644 2HD LYS 99 2HD LYS 99 8.707 -11.669 -1.108 1645 1HE LYS 99 1HE LYS 99 6.848 -12.735 0.653 1646 2HE LYS 99 2HE LYS 99 6.371 -11.049 0.630 1647 1HZ LYS 99 1HZ LYS 99 6.457 -12.941 -1.577 1648 2HZ LYS 99 2HZ LYS 99 5.274 -11.896 -1.157 1649 3HZ LYS 99 3HZ LYS 99 6.621 -11.348 -1.899 1650 H VAL 100 H VAL 100 11.982 -8.766 0.655 1651 HA VAL 100 HA VAL 100 9.724 -7.267 1.744 1652 HB VAL 100 HB VAL 100 11.402 -6.710 3.282 1653 1HG1 VAL 100 1HG1 VAL 100 13.356 -7.661 2.285 1654 2HG1 VAL 100 2HG1 VAL 100 13.290 -6.526 0.916 1655 3HG1 VAL 100 3HG1 VAL 100 13.691 -5.932 2.545 1656 1HG2 VAL 100 1HG2 VAL 100 11.243 -4.632 1.084 1657 2HG2 VAL 100 2HG2 VAL 100 10.291 -4.728 2.585 1658 3HG2 VAL 100 3HG2 VAL 100 12.024 -4.325 2.653 1659 H LEU 101 H LEU 101 8.877 -5.743 0.311 1660 HA LEU 101 HA LEU 101 10.345 -5.418 -2.203 1661 1HB LEU 101 1HB LEU 101 7.501 -6.322 -1.823 1662 2HB LEU 101 2HB LEU 101 8.019 -5.520 -3.292 1663 HG LEU 101 HG LEU 101 8.147 -7.781 -3.818 1664 1HD1 LEU 101 1HD1 LEU 101 10.302 -8.039 -4.507 1665 2HD1 LEU 101 2HD1 LEU 101 10.363 -6.328 -4.020 1666 3HD1 LEU 101 3HD1 LEU 101 10.986 -7.587 -2.927 1667 1HD2 LEU 101 1HD2 LEU 101 8.056 -9.321 -2.227 1668 2HD2 LEU 101 2HD2 LEU 101 9.780 -9.042 -1.884 1669 3HD2 LEU 101 3HD2 LEU 101 8.537 -8.128 -0.997 1670 H VAL 102 H VAL 102 10.539 -3.319 -2.811 1671 HA VAL 102 HA VAL 102 9.010 -1.387 -1.240 1672 HB VAL 102 HB VAL 102 11.427 -0.984 -3.012 1673 1HG1 VAL 102 1HG1 VAL 102 11.233 1.200 -2.590 1674 2HG1 VAL 102 2HG1 VAL 102 9.638 0.865 -1.874 1675 3HG1 VAL 102 3HG1 VAL 102 11.087 0.906 -0.841 1676 1HG2 VAL 102 1HG2 VAL 102 11.480 -2.494 -0.772 1677 2HG2 VAL 102 2HG2 VAL 102 12.835 -1.467 -1.297 1678 3HG2 VAL 102 3HG2 VAL 102 11.704 -0.881 -0.055 1679 H ILE 103 H ILE 103 7.255 -0.436 -2.127 1680 HA ILE 103 HA ILE 103 7.266 -0.045 -5.023 1681 HB ILE 103 HB ILE 103 5.054 -1.335 -3.424 1682 1HG1 ILE 103 1HG1 ILE 103 6.913 -2.833 -4.065 1683 2HG1 ILE 103 2HG1 ILE 103 5.396 -3.258 -4.831 1684 1HG2 ILE 103 1HG2 ILE 103 5.077 -0.244 -6.243 1685 2HG2 ILE 103 2HG2 ILE 103 3.894 -1.443 -5.668 1686 3HG2 ILE 103 3HG2 ILE 103 3.975 0.164 -4.907 1687 1HD1 ILE 103 1HD1 ILE 103 6.280 -2.973 -6.898 1688 2HD1 ILE 103 2HD1 ILE 103 6.850 -1.339 -6.484 1689 3HD1 ILE 103 3HD1 ILE 103 7.865 -2.754 -6.116 1690 H ASP 104 H ASP 104 6.036 1.786 -5.728 1691 HA ASP 104 HA ASP 104 5.520 3.600 -3.514 1692 1HB ASP 104 1HB ASP 104 7.234 4.238 -5.274 1693 2HB ASP 104 2HB ASP 104 5.956 4.220 -6.474 1694 H TYR 105 H TYR 105 3.407 4.456 -3.286 1695 HA TYR 105 HA TYR 105 1.501 3.755 -5.418 1696 1HB TYR 105 1HB TYR 105 0.797 2.415 -3.598 1697 2HB TYR 105 2HB TYR 105 1.625 3.420 -2.425 1698 HD1 TYR 105 HD1 TYR 105 -0.990 4.394 -4.921 1699 HD2 TYR 105 HD2 TYR 105 0.010 3.883 -0.793 1700 HE1 TYR 105 HE1 TYR 105 -3.206 5.442 -4.247 1701 HE2 TYR 105 HE2 TYR 105 -2.209 4.933 -0.133 1702 HH TYR 105 HH TYR 105 -4.721 5.143 -1.977 1703 H LYS 106 H LYS 106 0.903 5.594 -6.457 1704 HA LYS 106 HA LYS 106 0.426 7.945 -4.762 1705 1HB LYS 106 1HB LYS 106 1.243 9.368 -6.525 1706 2HB LYS 106 2HB LYS 106 2.479 8.196 -6.116 1707 1HG LYS 106 1HG LYS 106 2.331 7.112 -8.151 1708 2HG LYS 106 2HG LYS 106 0.597 7.337 -8.270 1709 1HD LYS 106 1HD LYS 106 2.137 8.660 -9.922 1710 2HD LYS 106 2HD LYS 106 0.796 9.507 -9.177 1711 1HE LYS 106 1HE LYS 106 2.171 10.811 -7.838 1712 2HE LYS 106 2HE LYS 106 3.364 9.543 -7.635 1713 1HZ LYS 106 1HZ LYS 106 4.511 10.668 -9.132 1714 2HZ LYS 106 2HZ LYS 106 3.478 10.107 -10.266 1715 3HZ LYS 106 3HZ LYS 106 3.240 11.580 -9.602 1716 HA PRO 107 HA PRO 107 -3.553 7.731 -6.438 1717 1HB PRO 107 1HB PRO 107 -4.501 10.189 -5.711 1718 2HB PRO 107 2HB PRO 107 -4.447 8.821 -4.617 1719 1HG PRO 107 1HG PRO 107 -2.691 11.197 -4.701 1720 2HG PRO 107 2HG PRO 107 -2.930 10.055 -3.394 1721 1HD PRO 107 1HD PRO 107 -0.685 10.179 -5.175 1722 2HD PRO 107 2HD PRO 107 -0.981 8.967 -3.944 1723 H THR 108 H THR 108 -3.259 7.447 -8.627 1724 HA THR 108 HA THR 108 -3.101 10.000 -10.087 1725 HB THR 108 HB THR 108 -2.123 7.166 -10.656 1726 HG1 THR 108 HG1 THR 108 -0.176 8.331 -10.542 1727 1HG2 THR 108 1HG2 THR 108 -1.451 9.179 -12.679 1728 2HG2 THR 108 2HG2 THR 108 -2.113 7.543 -12.912 1729 3HG2 THR 108 3HG2 THR 108 -3.210 8.913 -12.619 1730 H SER 109 H SER 109 -5.469 10.170 -9.519 1731 HA SER 109 HA SER 109 -7.135 8.306 -10.901 1732 1HB SER 109 1HB SER 109 -7.544 9.714 -8.658 1733 2HB SER 109 2HB SER 109 -8.165 10.909 -9.779 1734 HG SER 109 HG SER 109 -9.315 8.543 -8.922 1735 H VAL 110 H VAL 110 -8.831 9.113 -12.504 1736 HA VAL 110 HA VAL 110 -7.558 11.051 -14.287 1737 HB VAL 110 HB VAL 110 -9.686 8.954 -14.764 1738 1HG1 VAL 110 1HG1 VAL 110 -8.741 9.621 -17.232 1739 2HG1 VAL 110 2HG1 VAL 110 -10.215 10.299 -16.501 1740 3HG1 VAL 110 3HG1 VAL 110 -8.682 11.199 -16.410 1741 1HG2 VAL 110 1HG2 VAL 110 -8.008 7.666 -15.870 1742 2HG2 VAL 110 2HG2 VAL 110 -6.825 8.992 -15.767 1743 3HG2 VAL 110 3HG2 VAL 110 -7.337 8.139 -14.291 1744 H SER 111 H SER 111 -8.705 12.856 -15.098 1745 HA SER 111 HA SER 111 -10.579 13.887 -13.283 1746 1HB SER 111 1HB SER 111 -10.608 15.328 -15.791 1747 2HB SER 111 2HB SER 111 -9.938 15.825 -14.250 1748 HG SER 111 HG SER 111 -8.338 15.718 -15.987 1749 H LEU 112 H LEU 112 -12.767 13.529 -13.229 1750 HA LEU 112 HA LEU 112 -13.968 12.153 -15.469 1751 1HB LEU 112 1HB LEU 112 -15.416 12.987 -12.983 1752 2HB LEU 112 2HB LEU 112 -15.701 11.610 -14.029 1753 HG LEU 112 HG LEU 112 -13.094 11.689 -12.585 1754 1HD1 LEU 112 1HD1 LEU 112 -15.686 11.011 -11.169 1755 2HD1 LEU 112 2HD1 LEU 112 -14.039 10.836 -10.518 1756 3HD1 LEU 112 3HD1 LEU 112 -14.688 12.455 -10.872 1757 1HD2 LEU 112 1HD2 LEU 112 -15.049 9.603 -13.520 1758 2HD2 LEU 112 2HD2 LEU 112 -13.323 9.797 -13.908 1759 3HD2 LEU 112 3HD2 LEU 112 -13.813 9.215 -12.299 Start of MODEL 9 1 1H GLY 1 1H GLY 1 -4.728 -7.349 28.597 2 1HA GLY 1 1HA GLY 1 -5.746 -4.983 29.393 3 2HA GLY 1 2HA GLY 1 -4.308 -5.135 28.404 4 H SER 2 H SER 2 -5.209 -2.892 27.719 5 HA SER 2 HA SER 2 -6.527 -3.319 25.222 6 1HB SER 2 1HB SER 2 -8.004 -2.347 27.536 7 2HB SER 2 2HB SER 2 -7.941 -1.097 26.309 8 HG SER 2 HG SER 2 -9.710 -2.900 26.278 9 H HIS 3 H HIS 3 -6.134 -1.554 23.736 10 HA HIS 3 HA HIS 3 -4.240 0.409 24.808 11 1HB HIS 3 1HB HIS 3 -4.283 -1.178 22.270 12 2HB HIS 3 2HB HIS 3 -3.596 0.433 22.231 13 HD1 HIS 3 HD1 HIS 3 -2.011 -2.360 21.929 14 HD2 HIS 3 HD2 HIS 3 -2.148 0.097 25.326 15 HE1 HIS 3 HE1 HIS 3 0.078 -2.905 23.290 16 HE2 HIS 3 HE2 HIS 3 -0.034 -1.325 25.337 17 H MET 4 H MET 4 -4.486 2.599 24.204 18 HA MET 4 HA MET 4 -7.091 3.415 23.814 19 1HB MET 4 1HB MET 4 -5.268 4.792 24.848 20 2HB MET 4 2HB MET 4 -4.439 4.876 23.306 21 1HG MET 4 1HG MET 4 -5.582 6.880 23.150 22 2HG MET 4 2HG MET 4 -6.840 5.845 22.503 23 1HE MET 4 1HE MET 4 -6.811 8.774 24.231 24 2HE MET 4 2HE MET 4 -7.239 8.562 25.945 25 3HE MET 4 3HE MET 4 -5.631 8.070 25.362 26 H GLU 5 H GLU 5 -8.339 3.231 22.008 27 HA GLU 5 HA GLU 5 -6.968 3.116 19.465 28 1HB GLU 5 1HB GLU 5 -9.268 1.827 20.583 29 2HB GLU 5 2HB GLU 5 -9.838 2.801 19.243 30 1HG GLU 5 1HG GLU 5 -8.977 1.334 17.744 31 2HG GLU 5 2HG GLU 5 -7.377 1.502 18.440 32 H GLU 6 H GLU 6 -6.900 4.846 18.090 33 HA GLU 6 HA GLU 6 -8.670 7.056 18.758 34 1HB GLU 6 1HB GLU 6 -5.888 6.863 17.649 35 2HB GLU 6 2HB GLU 6 -6.872 8.201 17.089 36 1HG GLU 6 1HG GLU 6 -7.096 9.126 19.259 37 2HG GLU 6 2HG GLU 6 -6.742 7.606 20.056 38 H ALA 7 H ALA 7 -10.354 7.495 17.402 39 HA ALA 7 HA ALA 7 -11.657 7.497 15.614 40 1HB ALA 7 1HB ALA 7 -10.505 7.594 13.355 41 2HB ALA 7 2HB ALA 7 -9.951 8.806 14.535 42 3HB ALA 7 3HB ALA 7 -8.962 7.362 14.212 43 H LYS 8 H LYS 8 -12.180 6.116 13.464 44 HA LYS 8 HA LYS 8 -11.331 3.362 13.818 45 1HB LYS 8 1HB LYS 8 -14.053 4.390 14.462 46 2HB LYS 8 2HB LYS 8 -13.968 2.890 13.562 47 1HG LYS 8 1HG LYS 8 -12.361 1.988 15.299 48 2HG LYS 8 2HG LYS 8 -12.573 3.464 16.219 49 1HD LYS 8 1HD LYS 8 -15.042 3.004 16.356 50 2HD LYS 8 2HD LYS 8 -14.801 1.509 15.475 51 1HE LYS 8 1HE LYS 8 -13.936 0.414 17.302 52 2HE LYS 8 2HE LYS 8 -13.006 1.804 17.824 53 1HZ LYS 8 1HZ LYS 8 -15.890 1.412 18.216 54 2HZ LYS 8 2HZ LYS 8 -14.737 1.369 19.371 55 3HZ LYS 8 3HZ LYS 8 -15.087 2.775 18.619 56 H GLY 9 H GLY 9 -10.709 5.405 11.860 57 1HA GLY 9 1HA GLY 9 -10.883 4.072 9.510 58 2HA GLY 9 2HA GLY 9 -12.393 4.960 9.561 59 HA PRO 10 HA PRO 10 -12.107 5.169 7.588 60 1HB PRO 10 1HB PRO 10 -11.116 5.574 5.074 61 2HB PRO 10 2HB PRO 10 -12.384 6.560 5.774 62 1HG PRO 10 1HG PRO 10 -9.532 7.223 5.369 63 2HG PRO 10 2HG PRO 10 -10.880 8.305 5.660 64 1HD PRO 10 1HD PRO 10 -8.886 7.500 7.557 65 2HD PRO 10 2HD PRO 10 -10.298 8.487 7.876 66 H VAL 11 H VAL 11 -11.596 3.479 5.610 67 HA VAL 11 HA VAL 11 -9.258 2.041 6.664 68 HB VAL 11 HB VAL 11 -12.006 1.150 5.870 69 1HG1 VAL 11 1HG1 VAL 11 -9.561 -0.652 5.907 70 2HG1 VAL 11 2HG1 VAL 11 -11.251 -1.167 5.690 71 3HG1 VAL 11 3HG1 VAL 11 -10.463 -0.157 4.455 72 1HG2 VAL 11 1HG2 VAL 11 -10.247 0.132 8.109 73 2HG2 VAL 11 2HG2 VAL 11 -11.230 1.607 8.272 74 3HG2 VAL 11 3HG2 VAL 11 -12.018 0.043 7.953 75 H LYS 12 H LYS 12 -7.722 1.350 5.203 76 HA LYS 12 HA LYS 12 -8.303 2.005 2.399 77 1HB LYS 12 1HB LYS 12 -5.719 2.166 3.969 78 2HB LYS 12 2HB LYS 12 -5.791 2.267 2.222 79 1HG LYS 12 1HG LYS 12 -7.651 4.123 2.712 80 2HG LYS 12 2HG LYS 12 -6.872 4.202 4.279 81 1HD LYS 12 1HD LYS 12 -4.637 4.333 2.812 82 2HD LYS 12 2HD LYS 12 -5.736 4.878 1.561 83 1HE LYS 12 1HE LYS 12 -5.648 6.126 4.345 84 2HE LYS 12 2HE LYS 12 -4.694 6.726 3.003 85 1HZ LYS 12 1HZ LYS 12 -6.869 7.816 3.308 86 2HZ LYS 12 2HZ LYS 12 -6.652 7.204 1.809 87 3HZ LYS 12 3HZ LYS 12 -7.611 6.426 2.878 88 H HIS 13 H HIS 13 -8.254 0.370 0.934 89 HA HIS 13 HA HIS 13 -7.296 -2.199 1.952 90 1HB HIS 13 1HB HIS 13 -9.305 -2.910 1.319 91 2HB HIS 13 2HB HIS 13 -9.677 -1.383 0.545 92 HD1 HIS 13 HD1 HIS 13 -9.536 -4.803 -0.276 93 HD2 HIS 13 HD2 HIS 13 -8.099 -1.341 -2.159 94 HE1 HIS 13 HE1 HIS 13 -9.192 -5.414 -2.730 95 HE2 HIS 13 HE2 HIS 13 -8.361 -3.233 -3.846 96 H VAL 14 H VAL 14 -5.716 -3.352 0.842 97 HA VAL 14 HA VAL 14 -4.489 -1.876 -1.375 98 HB VAL 14 HB VAL 14 -3.411 -3.808 0.676 99 1HG1 VAL 14 1HG1 VAL 14 -2.293 -4.501 -1.278 100 2HG1 VAL 14 2HG1 VAL 14 -2.161 -2.838 -1.900 101 3HG1 VAL 14 3HG1 VAL 14 -1.177 -3.348 -0.508 102 1HG2 VAL 14 1HG2 VAL 14 -3.464 -0.911 0.371 103 2HG2 VAL 14 2HG2 VAL 14 -3.010 -1.903 1.777 104 3HG2 VAL 14 3HG2 VAL 14 -1.802 -1.531 0.524 105 H LEU 15 H LEU 15 -4.406 -2.771 -3.394 106 HA LEU 15 HA LEU 15 -5.063 -5.618 -3.597 107 1HB LEU 15 1HB LEU 15 -7.128 -4.724 -4.090 108 2HB LEU 15 2HB LEU 15 -6.460 -3.295 -4.854 109 HG LEU 15 HG LEU 15 -7.567 -4.801 -6.452 110 1HD1 LEU 15 1HD1 LEU 15 -5.092 -3.541 -6.730 111 2HD1 LEU 15 2HD1 LEU 15 -4.878 -5.139 -7.485 112 3HD1 LEU 15 3HD1 LEU 15 -6.188 -4.065 -8.031 113 1HD2 LEU 15 1HD2 LEU 15 -5.822 -6.800 -5.173 114 2HD2 LEU 15 2HD2 LEU 15 -7.389 -6.990 -5.995 115 3HD2 LEU 15 3HD2 LEU 15 -5.890 -6.892 -6.949 116 H LEU 16 H LEU 16 -3.823 -6.746 -5.062 117 HA LEU 16 HA LEU 16 -2.001 -5.107 -6.684 118 1HB LEU 16 1HB LEU 16 -0.493 -5.890 -5.206 119 2HB LEU 16 2HB LEU 16 -1.466 -7.276 -4.755 120 HG LEU 16 HG LEU 16 0.629 -7.940 -5.825 121 1HD1 LEU 16 1HD1 LEU 16 -1.895 -8.937 -6.355 122 2HD1 LEU 16 2HD1 LEU 16 -1.159 -8.796 -7.969 123 3HD1 LEU 16 3HD1 LEU 16 -0.346 -9.744 -6.700 124 1HD2 LEU 16 1HD2 LEU 16 1.461 -6.675 -7.452 125 2HD2 LEU 16 2HD2 LEU 16 0.270 -7.425 -8.542 126 3HD2 LEU 16 3HD2 LEU 16 -0.109 -5.884 -7.735 127 H ALA 17 H ALA 17 -1.702 -5.733 -8.824 128 HA ALA 17 HA ALA 17 -2.894 -8.239 -9.677 129 1HB ALA 17 1HB ALA 17 -3.772 -5.524 -10.744 130 2HB ALA 17 2HB ALA 17 -4.255 -7.105 -11.405 131 3HB ALA 17 3HB ALA 17 -4.761 -6.634 -9.765 132 H SER 18 H SER 18 -1.844 -9.097 -11.477 133 HA SER 18 HA SER 18 0.142 -7.339 -12.680 134 1HB SER 18 1HB SER 18 0.504 -10.187 -11.675 135 2HB SER 18 2HB SER 18 1.597 -9.477 -12.846 136 HG SER 18 HG SER 18 1.015 -8.066 -10.413 137 H PHE 19 H PHE 19 0.359 -7.542 -14.943 138 HA PHE 19 HA PHE 19 -1.714 -9.132 -16.196 139 1HB PHE 19 1HB PHE 19 0.396 -7.182 -17.301 140 2HB PHE 19 2HB PHE 19 -1.010 -7.749 -18.180 141 HD1 PHE 19 HD1 PHE 19 0.164 -4.929 -16.883 142 HD2 PHE 19 HD2 PHE 19 -3.211 -7.447 -16.356 143 HE1 PHE 19 HE1 PHE 19 -1.160 -2.975 -16.027 144 HE2 PHE 19 HE2 PHE 19 -4.534 -5.493 -15.499 145 HZ PHE 19 HZ PHE 19 -3.493 -3.281 -15.345 146 H LYS 20 H LYS 20 -1.280 -11.192 -16.820 147 HA LYS 20 HA LYS 20 1.070 -12.473 -16.741 148 1HB LYS 20 1HB LYS 20 -1.195 -12.868 -18.717 149 2HB LYS 20 2HB LYS 20 0.104 -14.017 -18.468 150 1HG LYS 20 1HG LYS 20 -0.515 -14.293 -16.103 151 2HG LYS 20 2HG LYS 20 -1.708 -13.015 -16.224 152 1HD LYS 20 1HD LYS 20 -3.214 -14.331 -17.437 153 2HD LYS 20 2HD LYS 20 -1.952 -15.310 -18.158 154 1HE LYS 20 1HE LYS 20 -2.049 -15.581 -15.214 155 2HE LYS 20 2HE LYS 20 -3.556 -16.043 -15.980 156 1HZ LYS 20 1HZ LYS 20 -2.258 -17.465 -17.460 157 2HZ LYS 20 2HZ LYS 20 -0.892 -17.082 -16.652 158 3HZ LYS 20 3HZ LYS 20 -2.088 -17.895 -15.894 159 H ASP 21 H ASP 21 2.650 -13.174 -18.390 160 HA ASP 21 HA ASP 21 3.503 -10.901 -19.854 161 1HB ASP 21 1HB ASP 21 4.820 -12.935 -18.645 162 2HB ASP 21 2HB ASP 21 4.734 -13.621 -20.255 163 H GLY 22 H GLY 22 2.961 -10.495 -22.007 164 1HA GLY 22 1HA GLY 22 2.847 -11.207 -24.257 165 2HA GLY 22 2HA GLY 22 2.308 -12.790 -23.733 166 H VAL 23 H VAL 23 1.075 -9.722 -22.350 167 HA VAL 23 HA VAL 23 -1.556 -10.444 -23.407 168 HB VAL 23 HB VAL 23 -0.704 -8.652 -21.125 169 1HG1 VAL 23 1HG1 VAL 23 -3.012 -8.392 -22.591 170 2HG1 VAL 23 2HG1 VAL 23 -3.524 -9.487 -21.285 171 3HG1 VAL 23 3HG1 VAL 23 -2.814 -7.903 -20.891 172 1HG2 VAL 23 1HG2 VAL 23 -1.358 -10.352 -19.648 173 2HG2 VAL 23 2HG2 VAL 23 -2.259 -11.231 -20.906 174 3HG2 VAL 23 3HG2 VAL 23 -0.479 -11.218 -20.930 175 H SER 24 H SER 24 -2.568 -9.192 -24.917 176 HA SER 24 HA SER 24 -1.155 -7.384 -26.374 177 1HB SER 24 1HB SER 24 -4.178 -7.566 -26.001 178 2HB SER 24 2HB SER 24 -3.391 -6.691 -27.299 179 HG SER 24 HG SER 24 -4.137 -9.015 -27.689 180 HA PRO 25 HA PRO 25 -1.387 -3.686 -24.088 181 1HB PRO 25 1HB PRO 25 -0.995 -1.817 -26.043 182 2HB PRO 25 2HB PRO 25 0.311 -2.729 -25.313 183 1HG PRO 25 1HG PRO 25 -0.915 -3.061 -27.982 184 2HG PRO 25 2HG PRO 25 0.629 -3.652 -27.403 185 1HD PRO 25 1HD PRO 25 -1.771 -5.182 -27.752 186 2HD PRO 25 2HD PRO 25 -0.261 -5.744 -27.065 187 H GLU 26 H GLU 26 -3.387 -3.815 -26.959 188 HA GLU 26 HA GLU 26 -4.998 -1.684 -26.280 189 1HB GLU 26 1HB GLU 26 -5.457 -4.182 -27.945 190 2HB GLU 26 2HB GLU 26 -6.718 -2.980 -27.753 191 1HG GLU 26 1HG GLU 26 -5.364 -1.250 -28.767 192 2HG GLU 26 2HG GLU 26 -3.912 -2.225 -28.668 193 H LYS 27 H LYS 27 -4.922 -5.052 -25.146 194 HA LYS 27 HA LYS 27 -7.516 -4.921 -23.946 195 1HB LYS 27 1HB LYS 27 -5.971 -6.960 -24.788 196 2HB LYS 27 2HB LYS 27 -5.519 -6.960 -23.095 197 1HG LYS 27 1HG LYS 27 -7.414 -8.172 -22.741 198 2HG LYS 27 2HG LYS 27 -8.282 -6.663 -22.947 199 1HD LYS 27 1HD LYS 27 -9.291 -8.256 -24.457 200 2HD LYS 27 2HD LYS 27 -8.381 -7.131 -25.445 201 1HE LYS 27 1HE LYS 27 -7.213 -8.868 -26.317 202 2HE LYS 27 2HE LYS 27 -6.545 -9.200 -24.732 203 1HZ LYS 27 1HZ LYS 27 -7.683 -11.072 -24.854 204 2HZ LYS 27 2HZ LYS 27 -9.049 -10.209 -24.616 205 3HZ LYS 27 3HZ LYS 27 -8.575 -10.585 -26.132 206 H ILE 28 H ILE 28 -4.161 -4.184 -23.043 207 HA ILE 28 HA ILE 28 -4.584 -4.165 -20.261 208 HB ILE 28 HB ILE 28 -2.524 -2.994 -22.105 209 1HG1 ILE 28 1HG1 ILE 28 -2.438 -5.189 -20.014 210 2HG1 ILE 28 2HG1 ILE 28 -2.508 -5.422 -21.750 211 1HG2 ILE 28 1HG2 ILE 28 -2.778 -2.589 -19.123 212 2HG2 ILE 28 2HG2 ILE 28 -1.226 -2.468 -19.986 213 3HG2 ILE 28 3HG2 ILE 28 -2.562 -1.367 -20.399 214 1HD1 ILE 28 1HD1 ILE 28 -0.237 -4.311 -20.082 215 2HD1 ILE 28 2HD1 ILE 28 -0.202 -5.610 -21.298 216 3HD1 ILE 28 3HD1 ILE 28 -0.353 -3.913 -21.813 217 H GLU 29 H GLU 29 -4.588 -1.540 -22.766 218 HA GLU 29 HA GLU 29 -5.232 0.457 -20.946 219 1HB GLU 29 1HB GLU 29 -5.898 1.747 -23.020 220 2HB GLU 29 2HB GLU 29 -4.293 1.048 -23.086 221 1HG GLU 29 1HG GLU 29 -4.929 -0.628 -24.621 222 2HG GLU 29 2HG GLU 29 -6.616 -0.567 -24.152 223 H GLU 30 H GLU 30 -7.181 -1.919 -22.744 224 HA GLU 30 HA GLU 30 -9.624 -0.602 -22.401 225 1HB GLU 30 1HB GLU 30 -8.673 -3.250 -23.336 226 2HB GLU 30 2HB GLU 30 -10.269 -3.293 -22.613 227 1HG GLU 30 1HG GLU 30 -10.042 -0.962 -24.352 228 2HG GLU 30 2HG GLU 30 -9.572 -2.403 -25.233 229 H LEU 31 H LEU 31 -7.759 -2.971 -20.454 230 HA LEU 31 HA LEU 31 -9.833 -3.519 -18.627 231 1HB LEU 31 1HB LEU 31 -7.020 -4.159 -19.002 232 2HB LEU 31 2HB LEU 31 -7.415 -3.916 -17.312 233 HG LEU 31 HG LEU 31 -9.258 -5.657 -18.875 234 1HD1 LEU 31 1HD1 LEU 31 -7.293 -6.556 -19.788 235 2HD1 LEU 31 2HD1 LEU 31 -6.397 -6.390 -18.259 236 3HD1 LEU 31 3HD1 LEU 31 -7.681 -7.614 -18.410 237 1HD2 LEU 31 1HD2 LEU 31 -9.925 -5.581 -16.691 238 2HD2 LEU 31 2HD2 LEU 31 -8.838 -6.990 -16.631 239 3HD2 LEU 31 3HD2 LEU 31 -8.267 -5.401 -16.068 240 H ILE 32 H ILE 32 -7.018 -1.235 -18.570 241 HA ILE 32 HA ILE 32 -7.650 -0.170 -16.056 242 HB ILE 32 HB ILE 32 -6.105 1.016 -18.364 243 1HG1 ILE 32 1HG1 ILE 32 -4.947 -0.372 -15.949 244 2HG1 ILE 32 2HG1 ILE 32 -5.418 -1.276 -17.374 245 1HG2 ILE 32 1HG2 ILE 32 -5.020 2.410 -16.648 246 2HG2 ILE 32 2HG2 ILE 32 -6.761 2.747 -16.795 247 3HG2 ILE 32 3HG2 ILE 32 -6.155 1.778 -15.431 248 1HD1 ILE 32 1HD1 ILE 32 -3.268 -0.803 -18.034 249 2HD1 ILE 32 2HD1 ILE 32 -4.001 0.728 -18.569 250 3HD1 ILE 32 3HD1 ILE 32 -3.162 0.644 -17.002 251 H LYS 33 H LYS 33 -8.736 0.559 -19.384 252 HA LYS 33 HA LYS 33 -9.931 3.016 -18.822 253 1HB LYS 33 1HB LYS 33 -10.261 0.926 -20.959 254 2HB LYS 33 2HB LYS 33 -11.373 2.278 -20.883 255 1HG LYS 33 1HG LYS 33 -8.400 2.823 -20.728 256 2HG LYS 33 2HG LYS 33 -9.111 2.453 -22.287 257 1HD LYS 33 1HD LYS 33 -10.056 4.516 -22.447 258 2HD LYS 33 2HD LYS 33 -10.767 4.392 -20.850 259 1HE LYS 33 1HE LYS 33 -9.139 5.686 -19.920 260 2HE LYS 33 2HE LYS 33 -7.860 4.749 -20.668 261 1HZ LYS 33 1HZ LYS 33 -7.606 6.640 -21.807 262 2HZ LYS 33 2HZ LYS 33 -8.788 6.041 -22.760 263 3HZ LYS 33 3HZ LYS 33 -9.147 7.142 -21.610 264 H GLY 34 H GLY 34 -11.084 -0.376 -18.518 265 1HA GLY 34 1HA GLY 34 -13.768 0.295 -17.891 266 2HA GLY 34 2HA GLY 34 -12.960 -1.234 -17.612 267 H TYR 35 H TYR 35 -10.902 -0.659 -15.861 268 HA TYR 35 HA TYR 35 -12.057 -0.672 -13.412 269 1HB TYR 35 1HB TYR 35 -9.770 -1.095 -13.227 270 2HB TYR 35 2HB TYR 35 -9.437 -0.214 -14.705 271 HD1 TYR 35 HD1 TYR 35 -10.545 0.646 -11.212 272 HD2 TYR 35 HD2 TYR 35 -7.925 1.520 -14.481 273 HE1 TYR 35 HE1 TYR 35 -9.473 2.516 -9.863 274 HE2 TYR 35 HE2 TYR 35 -6.863 3.387 -13.120 275 HH TYR 35 HH TYR 35 -6.851 4.472 -11.260 276 H ALA 36 H ALA 36 -10.937 2.211 -15.279 277 HA ALA 36 HA ALA 36 -11.539 4.011 -13.158 278 1HB ALA 36 1HB ALA 36 -11.335 5.642 -15.230 279 2HB ALA 36 2HB ALA 36 -9.896 4.805 -14.600 280 3HB ALA 36 3HB ALA 36 -10.721 4.187 -16.051 281 H ASN 37 H ASN 37 -13.315 2.471 -15.797 282 HA ASN 37 HA ASN 37 -15.392 4.387 -15.801 283 1HB ASN 37 1HB ASN 37 -14.666 1.961 -17.257 284 2HB ASN 37 2HB ASN 37 -16.353 1.868 -16.791 285 1HD2 ASN 37 1HD2 ASN 37 -16.438 1.931 -19.216 286 2HD2 ASN 37 2HD2 ASN 37 -16.623 3.474 -19.981 287 H LEU 38 H LEU 38 -14.580 1.346 -14.118 288 HA LEU 38 HA LEU 38 -17.193 0.828 -13.147 289 1HB LEU 38 1HB LEU 38 -14.454 -0.238 -12.745 290 2HB LEU 38 2HB LEU 38 -15.602 -0.513 -11.450 291 HG LEU 38 HG LEU 38 -15.481 -2.394 -13.027 292 1HD1 LEU 38 1HD1 LEU 38 -17.705 -2.890 -12.912 293 2HD1 LEU 38 2HD1 LEU 38 -17.657 -1.496 -11.807 294 3HD1 LEU 38 3HD1 LEU 38 -18.214 -1.283 -13.484 295 1HD2 LEU 38 1HD2 LEU 38 -16.585 -2.061 -15.300 296 2HD2 LEU 38 2HD2 LEU 38 -16.332 -0.318 -15.047 297 3HD2 LEU 38 3HD2 LEU 38 -14.936 -1.421 -15.098 298 H VAL 39 H VAL 39 -14.524 2.935 -12.209 299 HA VAL 39 HA VAL 39 -15.126 3.238 -9.513 300 HB VAL 39 HB VAL 39 -13.877 5.047 -11.579 301 1HG1 VAL 39 1HG1 VAL 39 -14.948 6.322 -9.657 302 2HG1 VAL 39 2HG1 VAL 39 -13.784 5.505 -8.586 303 3HG1 VAL 39 3HG1 VAL 39 -13.201 6.571 -9.887 304 1HG2 VAL 39 1HG2 VAL 39 -12.963 2.795 -10.061 305 2HG2 VAL 39 2HG2 VAL 39 -12.070 3.790 -11.236 306 3HG2 VAL 39 3HG2 VAL 39 -12.086 4.244 -9.515 307 H ASN 40 H ASN 40 -16.509 4.728 -12.472 308 HA ASN 40 HA ASN 40 -18.155 6.436 -10.865 309 1HB ASN 40 1HB ASN 40 -19.041 7.202 -13.091 310 2HB ASN 40 2HB ASN 40 -17.292 7.289 -13.018 311 1HD2 ASN 40 1HD2 ASN 40 -20.030 5.355 -14.105 312 2HD2 ASN 40 2HD2 ASN 40 -19.238 4.536 -15.410 313 H LEU 41 H LEU 41 -18.328 3.475 -12.906 314 HA LEU 41 HA LEU 41 -21.106 3.251 -13.022 315 1HB LEU 41 1HB LEU 41 -18.805 1.785 -13.825 316 2HB LEU 41 2HB LEU 41 -19.865 0.679 -12.973 317 HG LEU 41 HG LEU 41 -20.859 2.453 -15.209 318 1HD1 LEU 41 1HD1 LEU 41 -20.664 -0.015 -16.352 319 2HD1 LEU 41 2HD1 LEU 41 -19.492 1.307 -16.569 320 3HD1 LEU 41 3HD1 LEU 41 -19.185 0.035 -15.363 321 1HD2 LEU 41 1HD2 LEU 41 -22.490 1.408 -13.603 322 2HD2 LEU 41 2HD2 LEU 41 -22.721 0.976 -15.314 323 3HD2 LEU 41 3HD2 LEU 41 -21.954 -0.181 -14.199 324 H ILE 42 H ILE 42 -18.712 1.713 -10.762 325 HA ILE 42 HA ILE 42 -20.497 0.366 -9.194 326 HB ILE 42 HB ILE 42 -17.867 1.691 -8.572 327 1HG1 ILE 42 1HG1 ILE 42 -18.224 -0.355 -10.182 328 2HG1 ILE 42 2HG1 ILE 42 -16.883 -0.319 -9.054 329 1HG2 ILE 42 1HG2 ILE 42 -19.191 1.564 -6.498 330 2HG2 ILE 42 2HG2 ILE 42 -19.420 -0.181 -6.765 331 3HG2 ILE 42 3HG2 ILE 42 -17.788 0.468 -6.479 332 1HD1 ILE 42 1HD1 ILE 42 -19.567 -1.610 -8.396 333 2HD1 ILE 42 2HD1 ILE 42 -18.190 -2.501 -9.086 334 3HD1 ILE 42 3HD1 ILE 42 -18.048 -1.750 -7.478 335 H GLU 43 H GLU 43 -22.415 1.198 -8.504 336 HA GLU 43 HA GLU 43 -23.051 3.749 -8.092 337 1HB GLU 43 1HB GLU 43 -24.126 1.178 -7.351 338 2HB GLU 43 2HB GLU 43 -24.337 2.264 -5.992 339 1HG GLU 43 1HG GLU 43 -25.798 3.649 -7.135 340 2HG GLU 43 2HG GLU 43 -24.985 3.425 -8.672 341 HA PRO 44 HA PRO 44 -21.481 3.565 -3.625 342 1HB PRO 44 1HB PRO 44 -20.120 1.373 -2.724 343 2HB PRO 44 2HB PRO 44 -21.839 1.603 -2.475 344 1HG PRO 44 1HG PRO 44 -20.467 -0.202 -4.371 345 2HG PRO 44 2HG PRO 44 -22.125 -0.257 -3.809 346 1HD PRO 44 1HD PRO 44 -21.208 0.688 -6.357 347 2HD PRO 44 2HD PRO 44 -22.851 0.740 -5.749 348 H MET 45 H MET 45 -19.121 3.176 -2.353 349 HA MET 45 HA MET 45 -16.964 3.546 -2.457 350 1HB MET 45 1HB MET 45 -17.154 2.128 -4.684 351 2HB MET 45 2HB MET 45 -17.044 3.671 -5.508 352 1HG MET 45 1HG MET 45 -14.937 3.928 -3.774 353 2HG MET 45 2HG MET 45 -14.946 2.186 -3.968 354 1HE MET 45 1HE MET 45 -15.293 5.465 -5.484 355 2HE MET 45 2HE MET 45 -13.894 5.538 -6.582 356 3HE MET 45 3HE MET 45 -15.498 5.092 -7.213 357 H LYS 46 H LYS 46 -15.814 5.478 -2.227 358 HA LYS 46 HA LYS 46 -17.228 7.840 -3.109 359 1HB LYS 46 1HB LYS 46 -15.423 7.113 -0.945 360 2HB LYS 46 2HB LYS 46 -14.909 8.593 -1.728 361 1HG LYS 46 1HG LYS 46 -16.480 9.633 -0.448 362 2HG LYS 46 2HG LYS 46 -17.657 8.972 -1.566 363 1HD LYS 46 1HD LYS 46 -18.558 7.780 0.137 364 2HD LYS 46 2HD LYS 46 -17.074 6.853 0.240 365 1HE LYS 46 1HE LYS 46 -17.047 7.705 2.385 366 2HE LYS 46 2HE LYS 46 -16.251 9.052 1.595 367 1HZ LYS 46 1HZ LYS 46 -18.097 10.315 1.745 368 2HZ LYS 46 2HZ LYS 46 -19.144 9.067 1.641 369 3HZ LYS 46 3HZ LYS 46 -18.375 9.372 3.048 370 H ALA 47 H ALA 47 -13.762 6.732 -3.196 371 HA ALA 47 HA ALA 47 -13.617 7.492 -5.973 372 1HB ALA 47 1HB ALA 47 -12.729 9.262 -3.816 373 2HB ALA 47 2HB ALA 47 -11.399 8.826 -4.916 374 3HB ALA 47 3HB ALA 47 -12.876 9.581 -5.561 375 H PHE 48 H PHE 48 -11.925 6.408 -7.041 376 HA PHE 48 HA PHE 48 -10.119 4.871 -5.341 377 1HB PHE 48 1HB PHE 48 -11.874 3.279 -5.848 378 2HB PHE 48 2HB PHE 48 -12.133 3.951 -7.445 379 HD1 PHE 48 HD1 PHE 48 -8.708 3.360 -6.380 380 HD2 PHE 48 HD2 PHE 48 -12.055 1.669 -8.365 381 HE1 PHE 48 HE1 PHE 48 -7.228 1.588 -7.366 382 HE2 PHE 48 HE2 PHE 48 -10.576 -0.103 -9.351 383 HZ PHE 48 HZ PHE 48 -8.180 -0.122 -8.840 384 H HIS 49 H HIS 49 -8.085 5.389 -5.978 385 HA HIS 49 HA HIS 49 -7.727 6.000 -8.820 386 1HB HIS 49 1HB HIS 49 -5.659 7.222 -8.000 387 2HB HIS 49 2HB HIS 49 -7.211 7.945 -7.624 388 HD1 HIS 49 HD1 HIS 49 -7.761 8.347 -5.176 389 HD2 HIS 49 HD2 HIS 49 -4.389 5.912 -5.716 390 HE1 HIS 49 HE1 HIS 49 -6.709 8.061 -2.869 391 HE2 HIS 49 HE2 HIS 49 -4.673 6.511 -3.256 392 H TRP 50 H TRP 50 -5.454 5.427 -9.656 393 HA TRP 50 HA TRP 50 -4.746 2.797 -8.552 394 1HB TRP 50 1HB TRP 50 -4.131 2.106 -10.712 395 2HB TRP 50 2HB TRP 50 -5.703 2.865 -10.859 396 HD1 TRP 50 HD1 TRP 50 -5.346 5.736 -11.572 397 HE1 TRP 50 HE1 TRP 50 -3.914 6.735 -13.551 398 HE3 TRP 50 HE3 TRP 50 -2.307 1.695 -12.109 399 HZ2 TRP 50 HZ2 TRP 50 -1.720 5.745 -15.084 400 HZ3 TRP 50 HZ3 TRP 50 -0.546 1.793 -13.870 401 HH2 TRP 50 HH2 TRP 50 -0.227 3.728 -15.329 402 H GLY 51 H GLY 51 -2.522 2.360 -8.157 403 1HA GLY 51 1HA GLY 51 -0.689 4.649 -8.509 404 2HA GLY 51 2HA GLY 51 -0.841 3.836 -6.964 405 H LYS 52 H LYS 52 0.989 3.977 -9.765 406 HA LYS 52 HA LYS 52 1.766 1.155 -9.523 407 1HB LYS 52 1HB LYS 52 2.426 1.188 -11.803 408 2HB LYS 52 2HB LYS 52 0.821 1.887 -11.732 409 1HG LYS 52 1HG LYS 52 1.813 4.182 -11.772 410 2HG LYS 52 2HG LYS 52 3.422 3.489 -11.827 411 1HD LYS 52 1HD LYS 52 1.266 2.975 -13.929 412 2HD LYS 52 2HD LYS 52 2.526 4.182 -14.091 413 1HE LYS 52 1HE LYS 52 4.028 1.953 -13.450 414 2HE LYS 52 2HE LYS 52 2.704 1.214 -14.329 415 1HZ LYS 52 1HZ LYS 52 3.163 2.532 -16.187 416 2HZ LYS 52 2HZ LYS 52 4.159 3.536 -15.371 417 3HZ LYS 52 3HZ LYS 52 4.622 2.001 -15.681 418 H ASP 53 H ASP 53 4.078 0.676 -9.596 419 HA ASP 53 HA ASP 53 5.523 2.090 -7.837 420 1HB ASP 53 1HB ASP 53 7.405 0.803 -8.531 421 2HB ASP 53 2HB ASP 53 6.018 -0.193 -8.922 422 H VAL 54 H VAL 54 6.602 4.080 -7.896 423 HA VAL 54 HA VAL 54 6.994 5.269 -10.554 424 HB VAL 54 HB VAL 54 5.927 6.262 -8.001 425 1HG1 VAL 54 1HG1 VAL 54 7.950 7.889 -9.569 426 2HG1 VAL 54 2HG1 VAL 54 6.765 8.601 -8.448 427 3HG1 VAL 54 3HG1 VAL 54 7.990 7.462 -7.841 428 1HG2 VAL 54 1HG2 VAL 54 5.711 7.288 -10.851 429 2HG2 VAL 54 2HG2 VAL 54 4.623 6.098 -10.100 430 3HG2 VAL 54 3HG2 VAL 54 4.692 7.761 -9.471 431 H SER 55 H SER 55 9.075 5.301 -11.210 432 HA SER 55 HA SER 55 11.249 4.977 -11.082 433 1HB SER 55 1HB SER 55 10.523 7.504 -9.770 434 2HB SER 55 2HB SER 55 12.090 6.930 -9.237 435 HG SER 55 HG SER 55 11.227 7.523 -11.925 436 H ILE 56 H ILE 56 10.719 2.847 -9.841 437 HA ILE 56 HA ILE 56 11.917 3.006 -7.163 438 HB ILE 56 HB ILE 56 9.420 2.268 -7.603 439 1HG1 ILE 56 1HG1 ILE 56 9.611 0.795 -5.571 440 2HG1 ILE 56 2HG1 ILE 56 11.354 0.945 -5.682 441 1HG2 ILE 56 1HG2 ILE 56 10.964 -0.301 -8.052 442 2HG2 ILE 56 2HG2 ILE 56 9.213 -0.178 -7.757 443 3HG2 ILE 56 3HG2 ILE 56 9.920 0.533 -9.228 444 1HD1 ILE 56 1HD1 ILE 56 11.350 3.084 -4.873 445 2HD1 ILE 56 2HD1 ILE 56 9.923 3.543 -5.832 446 3HD1 ILE 56 3HD1 ILE 56 9.718 2.678 -4.290 447 H GLU 57 H GLU 57 12.466 2.208 -10.380 448 HA GLU 57 HA GLU 57 13.971 1.036 -11.415 449 1HB GLU 57 1HB GLU 57 15.211 1.315 -8.695 450 2HB GLU 57 2HB GLU 57 15.958 0.172 -9.793 451 1HG GLU 57 1HG GLU 57 15.388 2.547 -11.311 452 2HG GLU 57 2HG GLU 57 16.129 3.063 -9.810 453 H ASN 58 H ASN 58 14.594 -1.168 -11.977 454 HA ASN 58 HA ASN 58 12.736 -3.033 -11.341 455 1HB ASN 58 1HB ASN 58 15.496 -3.080 -12.533 456 2HB ASN 58 2HB ASN 58 14.877 -4.629 -11.994 457 1HD2 ASN 58 1HD2 ASN 58 13.962 -5.741 -13.526 458 2HD2 ASN 58 2HD2 ASN 58 13.009 -5.144 -14.843 459 H LEU 59 H LEU 59 12.340 -3.616 -9.173 460 HA LEU 59 HA LEU 59 14.262 -5.208 -7.847 461 1HB LEU 59 1HB LEU 59 14.337 -2.374 -7.326 462 2HB LEU 59 2HB LEU 59 13.852 -3.238 -5.880 463 HG LEU 59 HG LEU 59 16.349 -3.824 -7.497 464 1HD1 LEU 59 1HD1 LEU 59 15.850 -2.091 -5.098 465 2HD1 LEU 59 2HD1 LEU 59 17.415 -2.915 -5.297 466 3HD1 LEU 59 3HD1 LEU 59 16.841 -1.781 -6.543 467 1HD2 LEU 59 1HD2 LEU 59 15.235 -5.721 -6.175 468 2HD2 LEU 59 2HD2 LEU 59 16.961 -5.400 -5.883 469 3HD2 LEU 59 3HD2 LEU 59 15.741 -4.828 -4.720 470 H HIS 60 H HIS 60 11.735 -5.761 -8.800 471 HA HIS 60 HA HIS 60 10.285 -6.034 -6.281 472 1HB HIS 60 1HB HIS 60 8.153 -5.695 -7.550 473 2HB HIS 60 2HB HIS 60 9.131 -4.257 -7.337 474 HD1 HIS 60 HD1 HIS 60 7.922 -6.664 -9.975 475 HD2 HIS 60 HD2 HIS 60 10.193 -3.146 -9.709 476 HE1 HIS 60 HE1 HIS 60 8.194 -5.806 -12.363 477 HE2 HIS 60 HE2 HIS 60 9.550 -3.615 -12.130 478 H GLN 61 H GLN 61 8.727 -7.897 -6.323 479 HA GLN 61 HA GLN 61 10.018 -10.082 -7.591 480 1HB GLN 61 1HB GLN 61 8.030 -9.659 -5.468 481 2HB GLN 61 2HB GLN 61 7.606 -11.018 -6.489 482 1HG GLN 61 1HG GLN 61 9.063 -11.693 -4.568 483 2HG GLN 61 2HG GLN 61 9.791 -12.066 -6.118 484 1HE2 GLN 61 1HE2 GLN 61 10.223 -10.647 -3.142 485 2HE2 GLN 61 2HE2 GLN 61 11.649 -9.708 -3.436 486 H GLY 62 H GLY 62 7.431 -7.891 -8.375 487 1HA GLY 62 1HA GLY 62 6.893 -8.076 -10.811 488 2HA GLY 62 2HA GLY 62 6.454 -9.738 -10.469 489 H TYR 63 H TYR 63 5.885 -6.758 -8.484 490 HA TYR 63 HA TYR 63 3.149 -7.530 -8.110 491 1HB TYR 63 1HB TYR 63 5.104 -5.326 -7.312 492 2HB TYR 63 2HB TYR 63 3.397 -5.039 -7.037 493 HD1 TYR 63 HD1 TYR 63 2.105 -6.670 -5.557 494 HD2 TYR 63 HD2 TYR 63 6.375 -6.663 -5.820 495 HE1 TYR 63 HE1 TYR 63 2.249 -7.952 -3.366 496 HE2 TYR 63 HE2 TYR 63 6.505 -7.946 -3.629 497 HH TYR 63 HH TYR 63 4.320 -9.658 -2.413 498 H THR 64 H THR 64 4.986 -5.314 -10.193 499 HA THR 64 HA THR 64 4.352 -4.088 -11.940 500 HB THR 64 HB THR 64 1.548 -5.258 -11.597 501 HG1 THR 64 HG1 THR 64 3.138 -6.965 -11.564 502 1HG2 THR 64 1HG2 THR 64 2.657 -3.543 -13.549 503 2HG2 THR 64 2HG2 THR 64 2.791 -5.167 -14.266 504 3HG2 THR 64 3HG2 THR 64 1.203 -4.550 -13.748 505 H HIS 65 H HIS 65 1.561 -4.113 -9.617 506 HA HIS 65 HA HIS 65 2.059 -1.587 -8.650 507 1HB HIS 65 1HB HIS 65 0.136 -0.371 -9.842 508 2HB HIS 65 2HB HIS 65 1.677 -0.505 -10.665 509 HD1 HIS 65 HD1 HIS 65 1.781 -1.929 -12.826 510 HD2 HIS 65 HD2 HIS 65 -1.978 -1.934 -10.963 511 HE1 HIS 65 HE1 HIS 65 0.155 -2.964 -14.498 512 HE2 HIS 65 HE2 HIS 65 -2.126 -2.990 -13.277 513 H ILE 66 H ILE 66 0.046 -0.705 -7.448 514 HA ILE 66 HA ILE 66 -1.804 -2.907 -6.883 515 HB ILE 66 HB ILE 66 -1.650 -2.358 -4.489 516 1HG1 ILE 66 1HG1 ILE 66 0.916 -1.097 -4.428 517 2HG1 ILE 66 2HG1 ILE 66 -0.137 -0.128 -5.439 518 1HG2 ILE 66 1HG2 ILE 66 1.150 -3.033 -5.050 519 2HG2 ILE 66 2HG2 ILE 66 -0.118 -3.964 -4.217 520 3HG2 ILE 66 3HG2 ILE 66 -0.026 -3.979 -5.995 521 1HD1 ILE 66 1HD1 ILE 66 -1.529 0.442 -3.695 522 2HD1 ILE 66 2HD1 ILE 66 -1.369 -1.150 -2.914 523 3HD1 ILE 66 3HD1 ILE 66 -0.085 0.068 -2.724 524 H PHE 67 H PHE 67 -3.891 -2.200 -6.023 525 HA PHE 67 HA PHE 67 -4.396 0.629 -6.627 526 1HB PHE 67 1HB PHE 67 -6.133 -1.879 -7.046 527 2HB PHE 67 2HB PHE 67 -6.657 -0.248 -7.413 528 HD1 PHE 67 HD1 PHE 67 -6.563 -2.589 -9.336 529 HD2 PHE 67 HD2 PHE 67 -3.766 0.491 -8.502 530 HE1 PHE 67 HE1 PHE 67 -5.627 -2.811 -11.655 531 HE2 PHE 67 HE2 PHE 67 -2.830 0.269 -10.820 532 HZ PHE 67 HZ PHE 67 -3.771 -1.379 -12.369 533 H GLU 68 H GLU 68 -5.909 1.725 -5.285 534 HA GLU 68 HA GLU 68 -6.763 0.166 -2.975 535 1HB GLU 68 1HB GLU 68 -6.113 1.879 -1.461 536 2HB GLU 68 2HB GLU 68 -4.752 1.715 -2.553 537 1HG GLU 68 1HG GLU 68 -4.961 4.001 -2.710 538 2HG GLU 68 2HG GLU 68 -6.156 3.596 -3.926 539 H SER 69 H SER 69 -8.922 0.380 -2.457 540 HA SER 69 HA SER 69 -10.332 2.472 -3.921 541 1HB SER 69 1HB SER 69 -10.775 -0.084 -4.359 542 2HB SER 69 2HB SER 69 -11.647 -0.038 -2.839 543 HG SER 69 HG SER 69 -12.454 0.825 -5.311 544 H THR 70 H THR 70 -11.155 4.093 -2.652 545 HA THR 70 HA THR 70 -11.145 3.769 0.209 546 HB THR 70 HB THR 70 -12.034 6.085 -1.590 547 HG1 THR 70 HG1 THR 70 -9.548 5.312 -0.230 548 1HG2 THR 70 1HG2 THR 70 -11.267 7.425 0.441 549 2HG2 THR 70 2HG2 THR 70 -12.744 6.474 0.728 550 3HG2 THR 70 3HG2 THR 70 -11.178 5.894 1.344 551 H PHE 71 H PHE 71 -12.843 3.556 1.604 552 HA PHE 71 HA PHE 71 -15.478 3.349 0.328 553 1HB PHE 71 1HB PHE 71 -14.219 1.696 2.600 554 2HB PHE 71 2HB PHE 71 -15.851 1.472 2.002 555 HD1 PHE 71 HD1 PHE 71 -12.893 -0.084 2.004 556 HD2 PHE 71 HD2 PHE 71 -15.665 1.415 -0.838 557 HE1 PHE 71 HE1 PHE 71 -12.045 -1.730 0.308 558 HE2 PHE 71 HE2 PHE 71 -14.817 -0.231 -2.533 559 HZ PHE 71 HZ PHE 71 -13.018 -1.784 -1.940 560 H GLU 72 H GLU 72 -17.285 3.405 2.102 561 HA GLU 72 HA GLU 72 -16.765 5.773 3.611 562 1HB GLU 72 1HB GLU 72 -18.882 5.604 2.427 563 2HB GLU 72 2HB GLU 72 -19.259 4.074 3.195 564 1HG GLU 72 1HG GLU 72 -18.711 5.997 5.279 565 2HG GLU 72 2HG GLU 72 -19.825 6.737 4.146 566 H SER 73 H SER 73 -17.643 2.321 4.250 567 HA SER 73 HA SER 73 -16.449 2.639 6.856 568 1HB SER 73 1HB SER 73 -19.098 2.927 6.822 569 2HB SER 73 2HB SER 73 -19.089 1.178 6.708 570 HG SER 73 HG SER 73 -17.462 2.433 8.703 571 H LYS 74 H LYS 74 -17.565 -0.050 7.674 572 HA LYS 74 HA LYS 74 -15.803 -1.642 5.971 573 1HB LYS 74 1HB LYS 74 -15.066 -1.880 8.148 574 2HB LYS 74 2HB LYS 74 -16.676 -1.787 8.833 575 1HG LYS 74 1HG LYS 74 -15.804 -4.101 8.961 576 2HG LYS 74 2HG LYS 74 -17.224 -4.032 7.937 577 1HD LYS 74 1HD LYS 74 -15.372 -3.630 6.016 578 2HD LYS 74 2HD LYS 74 -14.342 -4.460 7.165 579 1HE LYS 74 1HE LYS 74 -16.357 -6.198 7.287 580 2HE LYS 74 2HE LYS 74 -16.811 -5.494 5.748 581 1HZ LYS 74 1HZ LYS 74 -14.498 -5.940 5.029 582 2HZ LYS 74 2HZ LYS 74 -14.260 -6.784 6.407 583 3HZ LYS 74 3HZ LYS 74 -15.377 -7.285 5.326 584 H GLU 75 H GLU 75 -19.101 -1.604 7.458 585 HA GLU 75 HA GLU 75 -19.931 -3.975 6.319 586 1HB GLU 75 1HB GLU 75 -21.322 -1.529 7.406 587 2HB GLU 75 2HB GLU 75 -22.281 -2.729 6.565 588 1HG GLU 75 1HG GLU 75 -21.499 -4.499 8.097 589 2HG GLU 75 2HG GLU 75 -20.401 -3.381 8.882 590 H ALA 76 H ALA 76 -19.763 -0.644 5.043 591 HA ALA 76 HA ALA 76 -21.437 -0.959 2.845 592 1HB ALA 76 1HB ALA 76 -20.364 1.154 3.846 593 2HB ALA 76 2HB ALA 76 -18.912 0.722 2.910 594 3HB ALA 76 3HB ALA 76 -20.445 1.058 2.070 595 H VAL 77 H VAL 77 -17.962 -1.751 3.364 596 HA VAL 77 HA VAL 77 -17.236 -2.288 0.779 597 HB VAL 77 HB VAL 77 -16.035 -2.377 3.156 598 1HG1 VAL 77 1HG1 VAL 77 -16.018 -5.312 2.495 599 2HG1 VAL 77 2HG1 VAL 77 -15.596 -4.487 4.015 600 3HG1 VAL 77 3HG1 VAL 77 -17.302 -4.639 3.528 601 1HG2 VAL 77 1HG2 VAL 77 -14.205 -3.801 1.864 602 2HG2 VAL 77 2HG2 VAL 77 -15.300 -3.524 0.489 603 3HG2 VAL 77 3HG2 VAL 77 -14.610 -2.140 1.370 604 H ALA 78 H ALA 78 -19.380 -4.080 2.955 605 HA ALA 78 HA ALA 78 -19.269 -6.558 1.666 606 1HB ALA 78 1HB ALA 78 -20.426 -5.573 3.916 607 2HB ALA 78 2HB ALA 78 -21.848 -5.647 2.849 608 3HB ALA 78 3HB ALA 78 -20.899 -7.118 3.169 609 H GLU 79 H GLU 79 -21.210 -3.576 1.094 610 HA GLU 79 HA GLU 79 -22.873 -4.727 -0.814 611 1HB GLU 79 1HB GLU 79 -22.049 -1.879 -0.176 612 2HB GLU 79 2HB GLU 79 -23.101 -2.215 -1.537 613 1HG GLU 79 1HG GLU 79 -24.751 -3.297 -0.075 614 2HG GLU 79 2HG GLU 79 -23.668 -3.193 1.299 615 H TYR 80 H TYR 80 -19.805 -2.814 -1.102 616 HA TYR 80 HA TYR 80 -19.703 -2.794 -3.884 617 1HB TYR 80 1HB TYR 80 -18.319 -1.434 -2.269 618 2HB TYR 80 2HB TYR 80 -17.573 -2.897 -1.657 619 HD1 TYR 80 HD1 TYR 80 -17.889 -0.789 -4.718 620 HD2 TYR 80 HD2 TYR 80 -15.616 -3.768 -2.655 621 HE1 TYR 80 HE1 TYR 80 -16.025 -0.565 -6.433 622 HE2 TYR 80 HE2 TYR 80 -13.760 -3.534 -4.377 623 HH TYR 80 HH TYR 80 -13.980 -1.103 -6.944 624 H ILE 81 H ILE 81 -18.537 -5.199 -1.464 625 HA ILE 81 HA ILE 81 -17.208 -6.772 -3.426 626 HB ILE 81 HB ILE 81 -17.873 -7.006 -0.528 627 1HG1 ILE 81 1HG1 ILE 81 -15.229 -7.482 -1.896 628 2HG1 ILE 81 2HG1 ILE 81 -15.810 -5.856 -1.601 629 1HG2 ILE 81 1HG2 ILE 81 -18.461 -9.207 -1.408 630 2HG2 ILE 81 2HG2 ILE 81 -16.880 -9.317 -2.218 631 3HG2 ILE 81 3HG2 ILE 81 -16.969 -9.278 -0.441 632 1HD1 ILE 81 1HD1 ILE 81 -16.215 -7.355 0.820 633 2HD1 ILE 81 2HD1 ILE 81 -14.554 -7.659 0.255 634 3HD1 ILE 81 3HD1 ILE 81 -15.105 -5.991 0.543 635 H ALA 82 H ALA 82 -20.511 -6.310 -2.448 636 HA ALA 82 HA ALA 82 -21.249 -8.873 -3.668 637 1HB ALA 82 1HB ALA 82 -23.441 -8.461 -2.543 638 2HB ALA 82 2HB ALA 82 -22.082 -8.541 -1.397 639 3HB ALA 82 3HB ALA 82 -22.773 -6.964 -1.850 640 H HIS 83 H HIS 83 -20.269 -6.522 -5.183 641 HA HIS 83 HA HIS 83 -22.746 -5.618 -6.429 642 1HB HIS 83 1HB HIS 83 -20.679 -4.138 -5.616 643 2HB HIS 83 2HB HIS 83 -20.065 -4.549 -7.205 644 HD1 HIS 83 HD1 HIS 83 -20.870 -3.133 -9.120 645 HD2 HIS 83 HD2 HIS 83 -23.354 -2.831 -5.754 646 HE1 HIS 83 HE1 HIS 83 -22.582 -1.319 -9.656 647 HE2 HIS 83 HE2 HIS 83 -24.114 -1.216 -7.573 648 HA PRO 84 HA PRO 84 -22.007 -8.256 -9.783 649 1HB PRO 84 1HB PRO 84 -23.688 -7.157 -11.636 650 2HB PRO 84 2HB PRO 84 -24.233 -8.239 -10.370 651 1HG PRO 84 1HG PRO 84 -24.550 -5.307 -10.564 652 2HG PRO 84 2HG PRO 84 -25.429 -6.442 -9.560 653 1HD PRO 84 1HD PRO 84 -23.341 -4.665 -8.717 654 2HD PRO 84 2HD PRO 84 -24.140 -5.881 -7.741 655 H ALA 85 H ALA 85 -21.875 -4.813 -10.445 656 HA ALA 85 HA ALA 85 -20.498 -5.001 -12.846 657 1HB ALA 85 1HB ALA 85 -19.912 -2.772 -10.927 658 2HB ALA 85 2HB ALA 85 -20.324 -2.708 -12.657 659 3HB ALA 85 3HB ALA 85 -21.598 -3.002 -11.449 660 H HIS 86 H HIS 86 -19.426 -5.254 -9.448 661 HA HIS 86 HA HIS 86 -16.670 -5.053 -10.105 662 1HB HIS 86 1HB HIS 86 -17.082 -4.411 -7.938 663 2HB HIS 86 2HB HIS 86 -18.296 -5.647 -7.673 664 HD1 HIS 86 HD1 HIS 86 -14.575 -5.067 -7.567 665 HD2 HIS 86 HD2 HIS 86 -17.313 -8.144 -6.774 666 HE1 HIS 86 HE1 HIS 86 -13.278 -6.873 -6.315 667 HE2 HIS 86 HE2 HIS 86 -15.025 -8.713 -5.808 668 H VAL 87 H VAL 87 -18.908 -7.775 -9.237 669 HA VAL 87 HA VAL 87 -17.031 -9.800 -9.457 670 HB VAL 87 HB VAL 87 -19.989 -9.544 -9.548 671 1HG1 VAL 87 1HG1 VAL 87 -19.649 -11.081 -11.395 672 2HG1 VAL 87 2HG1 VAL 87 -18.534 -12.064 -10.416 673 3HG1 VAL 87 3HG1 VAL 87 -20.258 -11.977 -9.982 674 1HG2 VAL 87 1HG2 VAL 87 -19.438 -11.591 -7.873 675 2HG2 VAL 87 2HG2 VAL 87 -17.885 -10.723 -7.812 676 3HG2 VAL 87 3HG2 VAL 87 -19.393 -9.880 -7.383 677 H GLU 88 H GLU 88 -19.169 -8.272 -11.937 678 HA GLU 88 HA GLU 88 -18.588 -9.978 -13.991 679 1HB GLU 88 1HB GLU 88 -20.234 -7.916 -13.779 680 2HB GLU 88 2HB GLU 88 -18.906 -7.008 -14.475 681 1HG GLU 88 1HG GLU 88 -20.035 -7.673 -16.411 682 2HG GLU 88 2HG GLU 88 -18.853 -8.960 -16.268 683 H PHE 89 H PHE 89 -16.846 -7.000 -12.902 684 HA PHE 89 HA PHE 89 -14.930 -7.122 -14.975 685 1HB PHE 89 1HB PHE 89 -15.786 -5.332 -13.038 686 2HB PHE 89 2HB PHE 89 -14.323 -5.917 -12.272 687 HD1 PHE 89 HD1 PHE 89 -12.534 -4.508 -12.549 688 HD2 PHE 89 HD2 PHE 89 -15.284 -4.934 -15.753 689 HE1 PHE 89 HE1 PHE 89 -11.173 -2.913 -13.929 690 HE2 PHE 89 HE2 PHE 89 -13.923 -3.339 -17.133 691 HZ PHE 89 HZ PHE 89 -11.884 -2.347 -16.204 692 H ALA 90 H ALA 90 -14.860 -8.026 -11.456 693 HA ALA 90 HA ALA 90 -12.240 -8.895 -11.389 694 1HB ALA 90 1HB ALA 90 -14.659 -9.059 -9.763 695 2HB ALA 90 2HB ALA 90 -13.686 -10.543 -9.637 696 3HB ALA 90 3HB ALA 90 -12.956 -8.965 -9.256 697 H THR 91 H THR 91 -15.213 -10.465 -12.596 698 HA THR 91 HA THR 91 -14.048 -13.054 -12.814 699 HB THR 91 HB THR 91 -16.507 -11.727 -14.074 700 HG1 THR 91 HG1 THR 91 -15.845 -13.395 -11.757 701 1HG2 THR 91 1HG2 THR 91 -17.319 -13.949 -14.540 702 2HG2 THR 91 2HG2 THR 91 -15.660 -13.925 -15.185 703 3HG2 THR 91 3HG2 THR 91 -15.996 -14.703 -13.619 704 H ILE 92 H ILE 92 -14.430 -10.249 -15.032 705 HA ILE 92 HA ILE 92 -13.367 -11.690 -17.244 706 HB ILE 92 HB ILE 92 -13.948 -8.783 -16.708 707 1HG1 ILE 92 1HG1 ILE 92 -15.277 -10.665 -18.665 708 2HG1 ILE 92 2HG1 ILE 92 -15.807 -10.519 -17.002 709 1HG2 ILE 92 1HG2 ILE 92 -12.947 -10.009 -19.293 710 2HG2 ILE 92 2HG2 ILE 92 -13.482 -8.328 -19.056 711 3HG2 ILE 92 3HG2 ILE 92 -12.025 -8.924 -18.225 712 1HD1 ILE 92 1HD1 ILE 92 -15.411 -7.942 -18.473 713 2HD1 ILE 92 2HD1 ILE 92 -16.775 -8.956 -19.001 714 3HD1 ILE 92 3HD1 ILE 92 -16.677 -8.405 -17.311 715 H PHE 93 H PHE 93 -12.073 -9.793 -14.543 716 HA PHE 93 HA PHE 93 -9.567 -9.251 -15.684 717 1HB PHE 93 1HB PHE 93 -11.045 -8.779 -13.308 718 2HB PHE 93 2HB PHE 93 -9.712 -9.770 -12.750 719 HD1 PHE 93 HD1 PHE 93 -7.436 -8.897 -14.274 720 HD2 PHE 93 HD2 PHE 93 -10.643 -6.585 -12.733 721 HE1 PHE 93 HE1 PHE 93 -5.952 -6.873 -14.224 722 HE2 PHE 93 HE2 PHE 93 -9.159 -4.561 -12.683 723 HZ PHE 93 HZ PHE 93 -6.832 -4.729 -13.428 724 H LEU 94 H LEU 94 -10.727 -11.884 -13.468 725 HA LEU 94 HA LEU 94 -8.288 -13.158 -13.186 726 1HB LEU 94 1HB LEU 94 -9.446 -14.757 -12.093 727 2HB LEU 94 2HB LEU 94 -10.625 -13.461 -12.047 728 HG LEU 94 HG LEU 94 -11.421 -14.653 -14.324 729 1HD1 LEU 94 1HD1 LEU 94 -9.501 -16.465 -13.350 730 2HD1 LEU 94 2HD1 LEU 94 -11.088 -17.199 -13.015 731 3HD1 LEU 94 3HD1 LEU 94 -10.667 -16.709 -14.674 732 1HD2 LEU 94 1HD2 LEU 94 -12.326 -15.937 -11.777 733 2HD2 LEU 94 2HD2 LEU 94 -12.563 -14.187 -11.998 734 3HD2 LEU 94 3HD2 LEU 94 -13.273 -15.335 -13.158 735 H GLY 95 H GLY 95 -10.531 -13.009 -15.904 736 1HA GLY 95 1HA GLY 95 -9.821 -15.341 -17.266 737 2HA GLY 95 2HA GLY 95 -10.435 -13.863 -17.980 738 H SER 96 H SER 96 -8.024 -12.375 -16.645 739 HA SER 96 HA SER 96 -5.834 -13.482 -18.121 740 1HB SER 96 1HB SER 96 -5.450 -11.183 -19.255 741 2HB SER 96 2HB SER 96 -6.667 -12.237 -19.947 742 HG SER 96 HG SER 96 -7.184 -10.064 -18.098 743 H LEU 97 H LEU 97 -5.972 -13.396 -15.420 744 HA LEU 97 HA LEU 97 -4.451 -10.988 -14.696 745 1HB LEU 97 1HB LEU 97 -6.706 -11.223 -13.654 746 2HB LEU 97 2HB LEU 97 -6.161 -12.706 -12.895 747 HG LEU 97 HG LEU 97 -4.598 -11.561 -11.518 748 1HD1 LEU 97 1HD1 LEU 97 -3.619 -10.028 -13.083 749 2HD1 LEU 97 2HD1 LEU 97 -5.138 -9.109 -13.212 750 3HD1 LEU 97 3HD1 LEU 97 -4.220 -9.103 -11.687 751 1HD2 LEU 97 1HD2 LEU 97 -7.263 -10.152 -11.681 752 2HD2 LEU 97 2HD2 LEU 97 -6.746 -11.439 -10.566 753 3HD2 LEU 97 3HD2 LEU 97 -6.068 -9.801 -10.410 754 H ASP 98 H ASP 98 -2.393 -11.263 -13.951 755 HA ASP 98 HA ASP 98 -1.374 -13.919 -14.081 756 1HB ASP 98 1HB ASP 98 -0.309 -11.497 -14.675 757 2HB ASP 98 2HB ASP 98 0.260 -11.623 -13.023 758 H LYS 99 H LYS 99 -1.471 -11.213 -11.634 759 HA LYS 99 HA LYS 99 -1.546 -13.255 -9.536 760 1HB LYS 99 1HB LYS 99 0.306 -10.870 -9.705 761 2HB LYS 99 2HB LYS 99 -0.076 -11.653 -8.185 762 1HG LYS 99 1HG LYS 99 0.826 -13.780 -8.953 763 2HG LYS 99 2HG LYS 99 0.967 -13.196 -10.599 764 1HD LYS 99 1HD LYS 99 3.173 -12.959 -9.834 765 2HD LYS 99 2HD LYS 99 2.538 -11.348 -9.564 766 1HE LYS 99 1HE LYS 99 3.299 -11.623 -7.424 767 2HE LYS 99 2HE LYS 99 1.843 -12.569 -7.189 768 1HZ LYS 99 1HZ LYS 99 2.999 -14.471 -7.225 769 2HZ LYS 99 2HZ LYS 99 4.079 -13.970 -8.343 770 3HZ LYS 99 3HZ LYS 99 4.252 -13.520 -6.783 771 H VAL 100 H VAL 100 -2.616 -12.538 -7.555 772 HA VAL 100 HA VAL 100 -3.984 -10.002 -7.670 773 HB VAL 100 HB VAL 100 -5.660 -10.975 -8.844 774 1HG1 VAL 100 1HG1 VAL 100 -5.184 -13.093 -9.452 775 2HG1 VAL 100 2HG1 VAL 100 -4.479 -13.498 -7.869 776 3HG1 VAL 100 3HG1 VAL 100 -6.244 -13.544 -8.095 777 1HG2 VAL 100 1HG2 VAL 100 -7.456 -11.795 -7.305 778 2HG2 VAL 100 2HG2 VAL 100 -6.256 -11.822 -5.990 779 3HG2 VAL 100 3HG2 VAL 100 -6.684 -10.282 -6.774 780 H LEU 101 H LEU 101 -3.773 -9.178 -5.660 781 HA LEU 101 HA LEU 101 -3.967 -11.061 -3.426 782 1HB LEU 101 1HB LEU 101 -1.780 -9.086 -3.998 783 2HB LEU 101 2HB LEU 101 -2.171 -9.536 -2.350 784 HG LEU 101 HG LEU 101 -0.312 -10.852 -3.130 785 1HD1 LEU 101 1HD1 LEU 101 -2.554 -11.877 -1.928 786 2HD1 LEU 101 2HD1 LEU 101 -2.295 -13.011 -3.276 787 3HD1 LEU 101 3HD1 LEU 101 -0.993 -12.715 -2.098 788 1HD2 LEU 101 1HD2 LEU 101 -1.589 -12.507 -5.123 789 2HD2 LEU 101 2HD2 LEU 101 -1.622 -10.795 -5.611 790 3HD2 LEU 101 3HD2 LEU 101 -0.074 -11.577 -5.214 791 H VAL 102 H VAL 102 -5.272 -10.370 -1.773 792 HA VAL 102 HA VAL 102 -6.139 -7.567 -1.919 793 HB VAL 102 HB VAL 102 -8.358 -8.496 -1.072 794 1HG1 VAL 102 1HG1 VAL 102 -7.263 -8.676 -3.850 795 2HG1 VAL 102 2HG1 VAL 102 -8.880 -9.353 -3.539 796 3HG1 VAL 102 3HG1 VAL 102 -8.550 -7.639 -3.189 797 1HG2 VAL 102 1HG2 VAL 102 -7.943 -11.035 -2.482 798 2HG2 VAL 102 2HG2 VAL 102 -6.981 -10.893 -0.991 799 3HG2 VAL 102 3HG2 VAL 102 -8.750 -10.702 -0.931 800 H ILE 103 H ILE 103 -5.630 -6.468 -0.103 801 HA ILE 103 HA ILE 103 -5.865 -7.822 2.441 802 HB ILE 103 HB ILE 103 -3.250 -6.792 1.361 803 1HG1 ILE 103 1HG1 ILE 103 -3.796 -9.147 0.904 804 2HG1 ILE 103 2HG1 ILE 103 -2.411 -8.979 1.964 805 1HG2 ILE 103 1HG2 ILE 103 -4.259 -6.801 4.137 806 2HG2 ILE 103 2HG2 ILE 103 -2.654 -7.533 3.903 807 3HG2 ILE 103 3HG2 ILE 103 -2.952 -5.856 3.384 808 1HD1 ILE 103 1HD1 ILE 103 -3.808 -10.718 2.895 809 2HD1 ILE 103 2HD1 ILE 103 -3.992 -9.293 3.945 810 3HD1 ILE 103 3HD1 ILE 103 -5.262 -9.700 2.766 811 H ASP 104 H ASP 104 -6.128 -6.343 4.203 812 HA ASP 104 HA ASP 104 -6.872 -3.717 3.230 813 1HB ASP 104 1HB ASP 104 -7.985 -5.577 5.116 814 2HB ASP 104 2HB ASP 104 -7.495 -4.165 6.032 815 H TYR 105 H TYR 105 -5.991 -1.795 4.250 816 HA TYR 105 HA TYR 105 -3.990 -2.228 6.335 817 1HB TYR 105 1HB TYR 105 -2.701 -2.207 4.256 818 2HB TYR 105 2HB TYR 105 -3.741 -0.990 3.542 819 HD1 TYR 105 HD1 TYR 105 -1.767 -1.192 6.738 820 HD2 TYR 105 HD2 TYR 105 -2.609 0.990 3.156 821 HE1 TYR 105 HE1 TYR 105 -0.140 0.626 7.454 822 HE2 TYR 105 HE2 TYR 105 -0.980 2.801 3.884 823 HH TYR 105 HH TYR 105 0.073 3.636 5.727 824 H LYS 106 H LYS 106 -4.140 -0.717 7.931 825 HA LYS 106 HA LYS 106 -5.560 1.761 7.246 826 1HB LYS 106 1HB LYS 106 -6.871 0.018 8.606 827 2HB LYS 106 2HB LYS 106 -5.772 0.376 9.923 828 1HG LYS 106 1HG LYS 106 -6.381 2.808 9.752 829 2HG LYS 106 2HG LYS 106 -7.503 2.427 8.461 830 1HD LYS 106 1HD LYS 106 -8.824 2.531 10.466 831 2HD LYS 106 2HD LYS 106 -8.681 0.828 10.077 832 1HE LYS 106 1HE LYS 106 -7.242 0.386 11.868 833 2HE LYS 106 2HE LYS 106 -6.570 2.005 11.873 834 1HZ LYS 106 1HZ LYS 106 -8.021 1.647 13.738 835 2HZ LYS 106 2HZ LYS 106 -8.649 2.804 12.771 836 3HZ LYS 106 3HZ LYS 106 -9.282 1.298 12.760 837 HA PRO 107 HA PRO 107 -1.861 3.468 8.761 838 1HB PRO 107 1HB PRO 107 -2.487 6.103 8.394 839 2HB PRO 107 2HB PRO 107 -1.848 5.083 7.121 840 1HG PRO 107 1HG PRO 107 -4.617 6.042 7.513 841 2HG PRO 107 2HG PRO 107 -3.873 5.398 6.062 842 1HD PRO 107 1HD PRO 107 -5.683 4.028 7.816 843 2HD PRO 107 2HD PRO 107 -4.849 3.349 6.432 844 H THR 108 H THR 108 -1.997 2.675 10.887 845 HA THR 108 HA THR 108 -3.580 4.283 12.705 846 HB THR 108 HB THR 108 -1.892 1.746 12.890 847 HG1 THR 108 HG1 THR 108 -3.964 1.164 12.338 848 1HG2 THR 108 1HG2 THR 108 -3.637 2.695 15.163 849 2HG2 THR 108 2HG2 THR 108 -2.221 1.618 15.206 850 3HG2 THR 108 3HG2 THR 108 -1.997 3.377 15.046 851 H SER 109 H SER 109 -2.898 5.974 13.864 852 HA SER 109 HA SER 109 -0.170 6.743 13.529 853 1HB SER 109 1HB SER 109 -0.996 8.718 15.021 854 2HB SER 109 2HB SER 109 -1.635 8.575 13.395 855 HG SER 109 HG SER 109 -3.026 7.260 15.521 856 H VAL 110 H VAL 110 1.465 6.645 15.086 857 HA VAL 110 HA VAL 110 0.690 5.372 17.615 858 HB VAL 110 HB VAL 110 3.251 5.348 16.014 859 1HG1 VAL 110 1HG1 VAL 110 4.195 3.908 17.769 860 2HG1 VAL 110 2HG1 VAL 110 3.799 5.525 18.398 861 3HG1 VAL 110 3HG1 VAL 110 2.732 4.146 18.755 862 1HG2 VAL 110 1HG2 VAL 110 1.652 3.808 15.124 863 2HG2 VAL 110 2HG2 VAL 110 2.827 2.860 16.067 864 3HG2 VAL 110 3HG2 VAL 110 1.222 3.218 16.747 865 H SER 111 H SER 111 1.436 6.237 19.593 866 HA SER 111 HA SER 111 1.767 9.025 19.533 867 1HB SER 111 1HB SER 111 2.495 8.065 22.108 868 2HB SER 111 2HB SER 111 0.949 8.727 21.614 869 HG SER 111 HG SER 111 1.377 6.266 22.439 870 H LEU 112 H LEU 112 3.644 10.213 19.394 871 HA LEU 112 HA LEU 112 6.148 8.716 19.646 872 1HB LEU 112 1HB LEU 112 5.603 11.360 18.289 873 2HB LEU 112 2HB LEU 112 7.127 10.494 18.303 874 HG LEU 112 HG LEU 112 4.598 9.333 17.116 875 1HD1 LEU 112 1HD1 LEU 112 5.162 10.144 14.987 876 2HD1 LEU 112 2HD1 LEU 112 5.343 11.543 16.073 877 3HD1 LEU 112 3HD1 LEU 112 6.783 10.659 15.513 878 1HD2 LEU 112 1HD2 LEU 112 6.580 8.152 15.773 879 2HD2 LEU 112 2HD2 LEU 112 7.447 8.490 17.291 880 3HD2 LEU 112 3HD2 LEU 112 5.954 7.522 17.316 881 1H GLY 1 1H GLY 1 2.865 30.111 9.834 882 1HA GLY 1 1HA GLY 1 2.820 29.636 7.370 883 2HA GLY 1 2HA GLY 1 4.511 29.211 7.548 884 H SER 2 H SER 2 1.301 28.486 9.102 885 HA SER 2 HA SER 2 2.159 26.057 10.150 886 1HB SER 2 1HB SER 2 -0.632 27.089 9.485 887 2HB SER 2 2HB SER 2 -0.336 25.613 10.381 888 HG SER 2 HG SER 2 1.145 27.616 11.502 889 H HIS 3 H HIS 3 0.501 26.990 7.085 890 HA HIS 3 HA HIS 3 0.204 25.929 5.189 891 1HB HIS 3 1HB HIS 3 2.731 25.126 6.038 892 2HB HIS 3 2HB HIS 3 1.946 23.618 5.610 893 HD1 HIS 3 HD1 HIS 3 4.094 25.920 4.113 894 HD2 HIS 3 HD2 HIS 3 0.473 24.209 2.865 895 HE1 HIS 3 HE1 HIS 3 4.039 26.138 1.572 896 H MET 4 H MET 4 -1.647 24.870 4.694 897 HA MET 4 HA MET 4 -2.824 23.186 6.602 898 1HB MET 4 1HB MET 4 -4.512 22.841 4.669 899 2HB MET 4 2HB MET 4 -4.253 24.505 5.155 900 1HG MET 4 1HG MET 4 -2.280 23.772 3.139 901 2HG MET 4 2HG MET 4 -3.883 23.372 2.555 902 1HE MET 4 1HE MET 4 -2.012 25.095 1.331 903 2HE MET 4 2HE MET 4 -3.396 25.929 0.584 904 3HE MET 4 3HE MET 4 -2.168 26.863 1.473 905 H GLU 5 H GLU 5 -3.576 20.911 6.200 906 HA GLU 5 HA GLU 5 -1.468 19.484 4.795 907 1HB GLU 5 1HB GLU 5 -2.715 17.537 6.226 908 2HB GLU 5 2HB GLU 5 -1.397 18.503 6.861 909 1HG GLU 5 1HG GLU 5 -4.298 19.388 7.136 910 2HG GLU 5 2HG GLU 5 -3.552 18.316 8.305 911 H GLU 6 H GLU 6 -2.093 19.122 2.691 912 HA GLU 6 HA GLU 6 -4.873 18.522 2.209 913 1HB GLU 6 1HB GLU 6 -2.513 19.301 0.499 914 2HB GLU 6 2HB GLU 6 -3.856 18.472 -0.262 915 1HG GLU 6 1HG GLU 6 -4.875 20.557 1.499 916 2HG GLU 6 2HG GLU 6 -3.678 21.241 0.417 917 H ALA 7 H ALA 7 -5.592 16.441 2.193 918 HA ALA 7 HA ALA 7 -3.678 14.302 2.176 919 1HB ALA 7 1HB ALA 7 -6.596 14.686 2.683 920 2HB ALA 7 2HB ALA 7 -6.087 13.075 2.123 921 3HB ALA 7 3HB ALA 7 -5.385 13.764 3.607 922 H LYS 8 H LYS 8 -3.111 15.465 -0.138 923 HA LYS 8 HA LYS 8 -4.161 13.572 -2.062 924 1HB LYS 8 1HB LYS 8 -4.606 16.544 -2.226 925 2HB LYS 8 2HB LYS 8 -4.406 15.605 -3.692 926 1HG LYS 8 1HG LYS 8 -6.269 14.108 -3.024 927 2HG LYS 8 2HG LYS 8 -6.440 14.963 -1.504 928 1HD LYS 8 1HD LYS 8 -7.901 16.357 -2.536 929 2HD LYS 8 2HD LYS 8 -6.551 17.007 -3.445 930 1HE LYS 8 1HE LYS 8 -8.001 14.484 -4.345 931 2HE LYS 8 2HE LYS 8 -8.577 16.078 -4.792 932 1HZ LYS 8 1HZ LYS 8 -5.854 15.998 -5.272 933 2HZ LYS 8 2HZ LYS 8 -6.490 14.639 -5.915 934 3HZ LYS 8 3HZ LYS 8 -7.062 16.100 -6.366 935 H GLY 9 H GLY 9 -1.700 13.530 -0.760 936 1HA GLY 9 1HA GLY 9 0.184 13.048 -2.485 937 2HA GLY 9 2HA GLY 9 0.200 14.796 -2.606 938 HA PRO 10 HA PRO 10 2.107 14.805 -2.839 939 1HB PRO 10 1HB PRO 10 4.790 14.289 -2.772 940 2HB PRO 10 2HB PRO 10 4.106 15.857 -2.394 941 1HG PRO 10 1HG PRO 10 5.202 13.821 -0.553 942 2HG PRO 10 2HG PRO 10 4.915 15.524 -0.260 943 1HD PRO 10 1HD PRO 10 3.308 13.331 0.654 944 2HD PRO 10 2HD PRO 10 2.960 15.038 0.847 945 H VAL 11 H VAL 11 3.937 12.103 -1.465 946 HA VAL 11 HA VAL 11 2.628 10.406 -3.449 947 HB VAL 11 HB VAL 11 5.574 10.887 -3.113 948 1HG1 VAL 11 1HG1 VAL 11 4.334 8.410 -4.359 949 2HG1 VAL 11 2HG1 VAL 11 6.064 8.827 -4.322 950 3HG1 VAL 11 3HG1 VAL 11 5.204 8.460 -2.807 951 1HG2 VAL 11 1HG2 VAL 11 5.582 11.382 -5.366 952 2HG2 VAL 11 2HG2 VAL 11 4.164 10.363 -5.710 953 3HG2 VAL 11 3HG2 VAL 11 3.955 11.940 -4.911 954 H LYS 12 H LYS 12 2.180 8.333 -2.698 955 HA LYS 12 HA LYS 12 2.867 7.917 0.120 956 1HB LYS 12 1HB LYS 12 0.467 7.408 -1.528 957 2HB LYS 12 2HB LYS 12 0.901 6.101 -0.445 958 1HG LYS 12 1HG LYS 12 -0.219 7.307 1.140 959 2HG LYS 12 2HG LYS 12 1.243 8.269 1.223 960 1HD LYS 12 1HD LYS 12 0.150 10.086 0.423 961 2HD LYS 12 2HD LYS 12 -0.330 9.210 -1.016 962 1HE LYS 12 1HE LYS 12 -2.450 8.840 -0.232 963 2HE LYS 12 2HE LYS 12 -1.883 8.401 1.367 964 1HZ LYS 12 1HZ LYS 12 -3.072 10.402 1.543 965 2HZ LYS 12 2HZ LYS 12 -1.501 10.806 1.731 966 3HZ LYS 12 3HZ LYS 12 -2.260 11.115 0.318 967 H HIS 13 H HIS 13 4.513 6.548 0.513 968 HA HIS 13 HA HIS 13 5.275 4.720 -1.596 969 1HB HIS 13 1HB HIS 13 6.997 6.095 -0.558 970 2HB HIS 13 2HB HIS 13 6.592 5.470 1.028 971 HD1 HIS 13 HD1 HIS 13 8.636 4.758 -1.972 972 HD2 HIS 13 HD2 HIS 13 7.293 2.662 1.404 973 HE1 HIS 13 HE1 HIS 13 10.066 2.650 -1.824 974 HE2 HIS 13 HE2 HIS 13 9.232 1.430 0.300 975 H VAL 14 H VAL 14 4.551 2.657 -1.660 976 HA VAL 14 HA VAL 14 3.426 1.574 0.815 977 HB VAL 14 HB VAL 14 3.037 0.913 -2.106 978 1HG1 VAL 14 1HG1 VAL 14 1.771 -0.475 0.280 979 2HG1 VAL 14 2HG1 VAL 14 1.479 -0.823 -1.441 980 3HG1 VAL 14 3HG1 VAL 14 3.074 -1.155 -0.725 981 1HG2 VAL 14 1HG2 VAL 14 1.896 2.937 -0.962 982 2HG2 VAL 14 2HG2 VAL 14 0.887 1.810 -1.900 983 3HG2 VAL 14 3HG2 VAL 14 0.910 1.716 -0.123 984 H LEU 15 H LEU 15 4.598 0.121 1.948 985 HA LEU 15 HA LEU 15 6.568 -1.445 0.436 986 1HB LEU 15 1HB LEU 15 7.171 0.534 2.243 987 2HB LEU 15 2HB LEU 15 7.211 -0.903 3.244 988 HG LEU 15 HG LEU 15 8.787 -0.535 0.681 989 1HD1 LEU 15 1HD1 LEU 15 9.259 0.707 3.100 990 2HD1 LEU 15 2HD1 LEU 15 10.294 -0.739 3.179 991 3HD1 LEU 15 3HD1 LEU 15 10.459 0.402 1.822 992 1HD2 LEU 15 1HD2 LEU 15 8.241 -2.879 1.153 993 2HD2 LEU 15 2HD2 LEU 15 9.981 -2.555 1.341 994 3HD2 LEU 15 3HD2 LEU 15 8.945 -2.717 2.780 995 H LEU 16 H LEU 16 6.289 -3.609 0.593 996 HA LEU 16 HA LEU 16 4.500 -4.525 2.731 997 1HB LEU 16 1HB LEU 16 3.336 -5.309 1.019 998 2HB LEU 16 2HB LEU 16 4.639 -5.030 -0.119 999 HG LEU 16 HG LEU 16 4.613 -7.421 1.729 1000 1HD1 LEU 16 1HD1 LEU 16 2.547 -7.544 0.500 1001 2HD1 LEU 16 2HD1 LEU 16 3.384 -7.190 -1.031 1002 3HD1 LEU 16 3HD1 LEU 16 3.697 -8.721 -0.179 1003 1HD2 LEU 16 1HD2 LEU 16 6.595 -6.400 0.110 1004 2HD2 LEU 16 2HD2 LEU 16 6.483 -8.075 0.701 1005 3HD2 LEU 16 3HD2 LEU 16 5.855 -7.657 -0.911 1006 H ALA 17 H ALA 17 5.081 -6.350 3.983 1007 HA ALA 17 HA ALA 17 7.538 -7.709 3.465 1008 1HB ALA 17 1HB ALA 17 8.645 -5.849 4.397 1009 2HB ALA 17 2HB ALA 17 7.361 -5.567 5.597 1010 3HB ALA 17 3HB ALA 17 8.459 -6.957 5.777 1011 H SER 18 H SER 18 7.606 -9.680 4.589 1012 HA SER 18 HA SER 18 5.387 -10.062 6.442 1013 1HB SER 18 1HB SER 18 5.517 -11.198 3.937 1014 2HB SER 18 2HB SER 18 6.301 -12.439 4.894 1015 HG SER 18 HG SER 18 4.449 -12.641 6.198 1016 H PHE 19 H PHE 19 6.223 -10.451 8.457 1017 HA PHE 19 HA PHE 19 8.911 -11.058 8.881 1018 1HB PHE 19 1HB PHE 19 6.291 -11.090 10.435 1019 2HB PHE 19 2HB PHE 19 7.709 -11.768 11.210 1020 HD1 PHE 19 HD1 PHE 19 9.649 -10.322 11.725 1021 HD2 PHE 19 HD2 PHE 19 6.049 -8.723 10.146 1022 HE1 PHE 19 HE1 PHE 19 10.356 -8.023 12.441 1023 HE2 PHE 19 HE2 PHE 19 6.756 -6.424 10.862 1024 HZ PHE 19 HZ PHE 19 8.901 -6.101 12.002 1025 H LYS 20 H LYS 20 9.956 -12.936 8.432 1026 HA LYS 20 HA LYS 20 8.769 -15.285 7.718 1027 1HB LYS 20 1HB LYS 20 11.324 -14.341 7.876 1028 2HB LYS 20 2HB LYS 20 11.345 -15.541 9.153 1029 1HG LYS 20 1HG LYS 20 10.148 -17.085 7.355 1030 2HG LYS 20 2HG LYS 20 10.790 -15.933 6.200 1031 1HD LYS 20 1HD LYS 20 12.798 -16.775 8.202 1032 2HD LYS 20 2HD LYS 20 12.170 -18.120 7.272 1033 1HE LYS 20 1HE LYS 20 12.574 -16.524 5.189 1034 2HE LYS 20 2HE LYS 20 13.640 -15.661 6.280 1035 1HZ LYS 20 1HZ LYS 20 14.716 -17.440 4.998 1036 2HZ LYS 20 2HZ LYS 20 14.893 -17.623 6.611 1037 3HZ LYS 20 3HZ LYS 20 13.825 -18.552 5.797 1038 H ASP 21 H ASP 21 9.251 -17.470 9.058 1039 HA ASP 21 HA ASP 21 7.808 -17.032 11.532 1040 1HB ASP 21 1HB ASP 21 7.503 -18.878 9.452 1041 2HB ASP 21 2HB ASP 21 8.324 -19.822 10.679 1042 H GLY 22 H GLY 22 8.890 -17.335 13.498 1043 1HA GLY 22 1HA GLY 22 10.458 -19.111 14.506 1044 2HA GLY 22 2HA GLY 22 11.616 -18.439 13.374 1045 H VAL 23 H VAL 23 10.297 -15.672 13.633 1046 HA VAL 23 HA VAL 23 11.817 -14.907 15.978 1047 HB VAL 23 HB VAL 23 10.460 -13.360 13.765 1048 1HG1 VAL 23 1HG1 VAL 23 10.375 -11.944 15.684 1049 2HG1 VAL 23 2HG1 VAL 23 12.033 -12.379 16.164 1050 3HG1 VAL 23 3HG1 VAL 23 11.757 -11.399 14.704 1051 1HG2 VAL 23 1HG2 VAL 23 12.419 -13.388 12.656 1052 2HG2 VAL 23 2HG2 VAL 23 13.374 -13.146 14.138 1053 3HG2 VAL 23 3HG2 VAL 23 12.813 -14.777 13.698 1054 H SER 24 H SER 24 10.957 -14.136 17.885 1055 HA SER 24 HA SER 24 8.387 -14.873 18.522 1056 1HB SER 24 1HB SER 24 8.899 -14.113 20.646 1057 2HB SER 24 2HB SER 24 10.518 -14.202 19.980 1058 HG SER 24 HG SER 24 10.448 -12.163 20.827 1059 HA PRO 25 HA PRO 25 5.975 -11.483 17.250 1060 1HB PRO 25 1HB PRO 25 3.928 -11.488 19.060 1061 2HB PRO 25 2HB PRO 25 4.008 -12.591 17.701 1062 1HG PRO 25 1HG PRO 25 4.527 -13.132 20.560 1063 2HG PRO 25 2HG PRO 25 4.186 -14.270 19.272 1064 1HD PRO 25 1HD PRO 25 6.746 -13.722 20.445 1065 2HD PRO 25 2HD PRO 25 6.422 -14.772 19.080 1066 H GLU 26 H GLU 26 7.299 -11.466 20.400 1067 HA GLU 26 HA GLU 26 6.481 -8.850 21.015 1068 1HB GLU 26 1HB GLU 26 7.743 -10.963 22.357 1069 2HB GLU 26 2HB GLU 26 8.986 -9.730 22.290 1070 1HG GLU 26 1HG GLU 26 7.964 -8.648 23.998 1071 2HG GLU 26 2HG GLU 26 6.591 -8.343 22.953 1072 H LYS 27 H LYS 27 9.294 -10.304 19.346 1073 HA LYS 27 HA LYS 27 10.810 -7.904 19.314 1074 1HB LYS 27 1HB LYS 27 11.465 -10.466 19.000 1075 2HB LYS 27 2HB LYS 27 11.225 -10.084 17.307 1076 1HG LYS 27 1HG LYS 27 13.063 -8.694 17.213 1077 2HG LYS 27 2HG LYS 27 12.791 -8.047 18.819 1078 1HD LYS 27 1HD LYS 27 13.598 -10.278 19.768 1079 2HD LYS 27 2HD LYS 27 14.027 -10.755 18.137 1080 1HE LYS 27 1HE LYS 27 15.653 -8.959 17.941 1081 2HE LYS 27 2HE LYS 27 15.079 -8.189 19.407 1082 1HZ LYS 27 1HZ LYS 27 15.850 -10.890 19.822 1083 2HZ LYS 27 2HZ LYS 27 17.081 -9.975 19.261 1084 3HZ LYS 27 3HZ LYS 27 16.303 -9.545 20.630 1085 H ILE 28 H ILE 28 8.297 -9.381 17.266 1086 HA ILE 28 HA ILE 28 8.737 -7.805 14.997 1087 HB ILE 28 HB ILE 28 6.258 -9.166 16.054 1088 1HG1 ILE 28 1HG1 ILE 28 8.190 -10.061 13.897 1089 2HG1 ILE 28 2HG1 ILE 28 8.279 -10.589 15.566 1090 1HG2 ILE 28 1HG2 ILE 28 6.351 -8.766 13.180 1091 2HG2 ILE 28 2HG2 ILE 28 5.061 -8.393 14.348 1092 3HG2 ILE 28 3HG2 ILE 28 6.368 -7.219 14.060 1093 1HD1 ILE 28 1HD1 ILE 28 5.763 -11.256 15.280 1094 2HD1 ILE 28 2HD1 ILE 28 6.091 -11.122 13.535 1095 3HD1 ILE 28 3HD1 ILE 28 7.002 -12.287 14.525 1096 H GLU 29 H GLU 29 6.564 -7.369 17.864 1097 HA GLU 29 HA GLU 29 5.564 -4.931 16.935 1098 1HB GLU 29 1HB GLU 29 4.749 -4.678 19.307 1099 2HB GLU 29 2HB GLU 29 4.314 -6.206 18.569 1100 1HG GLU 29 1HG GLU 29 6.086 -7.382 19.750 1101 2HG GLU 29 2HG GLU 29 6.809 -5.881 20.292 1102 H GLU 30 H GLU 30 8.354 -5.868 18.986 1103 HA GLU 30 HA GLU 30 8.915 -3.298 19.894 1104 1HB GLU 30 1HB GLU 30 10.362 -5.920 19.750 1105 2HB GLU 30 2HB GLU 30 11.351 -4.493 19.992 1106 1HG GLU 30 1HG GLU 30 9.362 -3.974 21.797 1107 2HG GLU 30 2HG GLU 30 9.314 -5.726 21.812 1108 H LEU 31 H LEU 31 9.584 -5.010 16.864 1109 HA LEU 31 HA LEU 31 11.644 -3.232 16.022 1110 1HB LEU 31 1HB LEU 31 10.427 -5.673 15.150 1111 2HB LEU 31 2HB LEU 31 10.425 -4.534 13.818 1112 HG LEU 31 HG LEU 31 12.411 -5.818 13.641 1113 1HD1 LEU 31 1HD1 LEU 31 13.526 -3.346 14.920 1114 2HD1 LEU 31 2HD1 LEU 31 13.988 -4.159 13.405 1115 3HD1 LEU 31 3HD1 LEU 31 12.488 -3.204 13.481 1116 1HD2 LEU 31 1HD2 LEU 31 12.353 -6.558 16.070 1117 2HD2 LEU 31 2HD2 LEU 31 13.960 -6.276 15.360 1118 3HD2 LEU 31 3HD2 LEU 31 13.241 -5.062 16.446 1119 H ILE 32 H ILE 32 8.085 -3.501 15.585 1120 HA ILE 32 HA ILE 32 7.968 -1.375 13.710 1121 HB ILE 32 HB ILE 32 5.865 -2.700 15.423 1122 1HG1 ILE 32 1HG1 ILE 32 6.205 -3.078 12.462 1123 2HG1 ILE 32 2HG1 ILE 32 7.233 -3.967 13.569 1124 1HG2 ILE 32 1HG2 ILE 32 4.410 -1.693 13.456 1125 2HG2 ILE 32 2HG2 ILE 32 4.774 -0.756 14.925 1126 3HG2 ILE 32 3HG2 ILE 32 5.708 -0.475 13.436 1127 1HD1 ILE 32 1HD1 ILE 32 5.531 -5.326 14.262 1128 2HD1 ILE 32 2HD1 ILE 32 4.367 -3.981 14.341 1129 3HD1 ILE 32 3HD1 ILE 32 4.711 -4.770 12.783 1130 H LYS 33 H LYS 33 7.807 -1.675 17.270 1131 HA LYS 33 HA LYS 33 6.836 0.910 17.754 1132 1HB LYS 33 1HB LYS 33 6.869 0.216 19.875 1133 2HB LYS 33 2HB LYS 33 7.389 -1.336 19.252 1134 1HG LYS 33 1HG LYS 33 9.778 -0.634 19.483 1135 2HG LYS 33 2HG LYS 33 9.264 0.927 20.092 1136 1HD LYS 33 1HD LYS 33 8.383 -0.010 22.109 1137 2HD LYS 33 2HD LYS 33 8.333 -1.630 21.443 1138 1HE LYS 33 1HE LYS 33 10.679 -1.931 21.636 1139 2HE LYS 33 2HE LYS 33 10.999 -0.209 21.679 1140 1HZ LYS 33 1HZ LYS 33 9.851 -0.171 23.839 1141 2HZ LYS 33 2HZ LYS 33 9.743 -1.801 23.802 1142 3HZ LYS 33 3HZ LYS 33 11.208 -1.081 23.850 1143 H GLY 34 H GLY 34 10.125 -0.435 17.235 1144 1HA GLY 34 1HA GLY 34 11.543 1.900 17.953 1145 2HA GLY 34 2HA GLY 34 12.122 0.568 16.973 1146 H TYR 35 H TYR 35 10.397 0.583 14.765 1147 HA TYR 35 HA TYR 35 11.489 2.261 13.011 1148 1HB TYR 35 1HB TYR 35 9.342 0.487 13.165 1149 2HB TYR 35 2HB TYR 35 8.481 1.991 12.905 1150 HD1 TYR 35 HD1 TYR 35 9.292 -0.724 11.181 1151 HD2 TYR 35 HD2 TYR 35 10.155 3.464 11.026 1152 HE1 TYR 35 HE1 TYR 35 9.729 -0.899 8.682 1153 HE2 TYR 35 HE2 TYR 35 10.590 3.274 8.528 1154 HH TYR 35 HH TYR 35 9.688 1.557 6.671 1155 H ALA 36 H ALA 36 8.610 3.049 15.068 1156 HA ALA 36 HA ALA 36 8.225 5.604 13.982 1157 1HB ALA 36 1HB ALA 36 6.453 5.578 15.383 1158 2HB ALA 36 2HB ALA 36 6.947 3.916 15.783 1159 3HB ALA 36 3HB ALA 36 7.477 5.272 16.806 1160 H ASN 37 H ASN 37 10.093 4.396 16.835 1161 HA ASN 37 HA ASN 37 10.813 6.841 17.820 1162 1HB ASN 37 1HB ASN 37 11.279 4.298 18.595 1163 2HB ASN 37 2HB ASN 37 12.825 4.577 17.819 1164 1HD2 ASN 37 1HD2 ASN 37 14.370 5.505 18.933 1165 2HD2 ASN 37 2HD2 ASN 37 14.203 6.398 20.408 1166 H LEU 38 H LEU 38 12.381 4.700 15.346 1167 HA LEU 38 HA LEU 38 14.663 6.247 14.949 1168 1HB LEU 38 1HB LEU 38 13.243 4.058 13.569 1169 2HB LEU 38 2HB LEU 38 14.274 5.042 12.549 1170 HG LEU 38 HG LEU 38 15.505 3.125 13.316 1171 1HD1 LEU 38 1HD1 LEU 38 17.410 4.259 13.604 1172 2HD1 LEU 38 2HD1 LEU 38 16.393 5.716 13.505 1173 3HD1 LEU 38 3HD1 LEU 38 16.833 5.044 15.094 1174 1HD2 LEU 38 1HD2 LEU 38 15.998 3.209 15.957 1175 2HD2 LEU 38 2HD2 LEU 38 14.332 3.837 15.947 1176 3HD2 LEU 38 3HD2 LEU 38 14.688 2.246 15.232 1177 H VAL 39 H VAL 39 11.416 6.300 13.363 1178 HA VAL 39 HA VAL 39 12.091 8.302 11.514 1179 HB VAL 39 HB VAL 39 9.494 7.296 12.671 1180 1HG1 VAL 39 1HG1 VAL 39 9.202 9.650 11.998 1181 2HG1 VAL 39 2HG1 VAL 39 9.844 9.264 10.384 1182 3HG1 VAL 39 3HG1 VAL 39 8.312 8.540 10.929 1183 1HG2 VAL 39 1HG2 VAL 39 9.741 5.661 11.177 1184 2HG2 VAL 39 2HG2 VAL 39 9.756 6.866 9.866 1185 3HG2 VAL 39 3HG2 VAL 39 11.282 6.367 10.635 1186 H ASN 40 H ASN 40 10.921 8.334 14.898 1187 HA ASN 40 HA ASN 40 10.207 10.998 14.970 1188 1HB ASN 40 1HB ASN 40 9.556 9.551 16.799 1189 2HB ASN 40 2HB ASN 40 11.208 9.046 17.092 1190 1HD2 ASN 40 1HD2 ASN 40 12.391 10.076 18.537 1191 2HD2 ASN 40 2HD2 ASN 40 11.993 11.567 19.324 1192 H LEU 41 H LEU 41 13.306 9.249 15.674 1193 HA LEU 41 HA LEU 41 14.726 11.528 16.510 1194 1HB LEU 41 1HB LEU 41 15.126 8.874 16.633 1195 2HB LEU 41 2HB LEU 41 16.158 9.247 15.267 1196 HG LEU 41 HG LEU 41 17.460 9.242 17.294 1197 1HD1 LEU 41 1HD1 LEU 41 17.199 12.167 16.653 1198 2HD1 LEU 41 2HD1 LEU 41 18.659 11.199 16.970 1199 3HD1 LEU 41 3HD1 LEU 41 17.786 11.016 15.429 1200 1HD2 LEU 41 1HD2 LEU 41 15.673 11.443 18.359 1201 2HD2 LEU 41 2HD2 LEU 41 15.579 9.734 18.846 1202 3HD2 LEU 41 3HD2 LEU 41 17.052 10.674 19.181 1203 H ILE 42 H ILE 42 14.946 9.653 13.398 1204 HA ILE 42 HA ILE 42 16.572 11.284 12.018 1205 HB ILE 42 HB ILE 42 14.115 9.811 11.073 1206 1HG1 ILE 42 1HG1 ILE 42 16.900 8.878 10.560 1207 2HG1 ILE 42 2HG1 ILE 42 16.306 8.744 12.203 1208 1HG2 ILE 42 1HG2 ILE 42 14.961 9.965 8.825 1209 2HG2 ILE 42 2HG2 ILE 42 14.770 11.606 9.486 1210 3HG2 ILE 42 3HG2 ILE 42 16.389 10.873 9.376 1211 1HD1 ILE 42 1HD1 ILE 42 15.696 7.064 9.951 1212 2HD1 ILE 42 2HD1 ILE 42 15.120 6.907 11.628 1213 3HD1 ILE 42 3HD1 ILE 42 14.193 7.873 10.454 1214 H GLU 43 H GLU 43 16.626 13.404 11.518 1215 HA GLU 43 HA GLU 43 14.481 15.051 12.183 1216 1HB GLU 43 1HB GLU 43 17.206 15.357 11.507 1217 2HB GLU 43 2HB GLU 43 16.347 16.261 10.276 1218 1HG GLU 43 1HG GLU 43 15.051 17.441 12.096 1219 2HG GLU 43 2HG GLU 43 15.999 16.583 13.295 1220 HA PRO 44 HA PRO 44 13.768 15.211 7.496 1221 1HB PRO 44 1HB PRO 44 15.107 13.494 5.845 1222 2HB PRO 44 2HB PRO 44 15.635 15.136 6.151 1223 1HG PRO 44 1HG PRO 44 16.750 12.605 7.195 1224 2HG PRO 44 2HG PRO 44 17.494 14.191 7.136 1225 1HD PRO 44 1HD PRO 44 16.364 12.910 9.440 1226 2HD PRO 44 2HD PRO 44 17.002 14.539 9.355 1227 H MET 45 H MET 45 11.962 14.287 8.815 1228 HA MET 45 HA MET 45 10.991 12.086 7.297 1229 1HB MET 45 1HB MET 45 12.158 11.740 10.010 1230 2HB MET 45 2HB MET 45 10.516 11.136 9.908 1231 1HG MET 45 1HG MET 45 12.751 10.376 7.963 1232 2HG MET 45 2HG MET 45 12.264 9.401 9.336 1233 1HE MET 45 1HE MET 45 12.327 7.930 6.924 1234 2HE MET 45 2HE MET 45 11.315 7.208 8.198 1235 3HE MET 45 3HE MET 45 10.712 7.298 6.526 1236 H LYS 46 H LYS 46 8.853 12.508 6.946 1237 HA LYS 46 HA LYS 46 7.583 14.601 8.364 1238 1HB LYS 46 1HB LYS 46 7.177 13.088 5.964 1239 2HB LYS 46 2HB LYS 46 5.694 13.045 6.896 1240 1HG LYS 46 1HG LYS 46 5.642 15.026 5.477 1241 2HG LYS 46 2HG LYS 46 5.803 15.551 7.141 1242 1HD LYS 46 1HD LYS 46 8.461 15.264 6.391 1243 2HD LYS 46 2HD LYS 46 7.729 15.791 4.889 1244 1HE LYS 46 1HE LYS 46 7.543 17.216 7.585 1245 2HE LYS 46 2HE LYS 46 8.463 17.750 6.193 1246 1HZ LYS 46 1HZ LYS 46 6.551 18.910 5.942 1247 2HZ LYS 46 2HZ LYS 46 6.154 17.594 5.059 1248 3HZ LYS 46 3HZ LYS 46 5.589 17.756 6.583 1249 H ALA 47 H ALA 47 6.183 11.305 7.904 1250 HA ALA 47 HA ALA 47 6.102 10.829 10.723 1251 1HB ALA 47 1HB ALA 47 4.269 12.329 10.765 1252 2HB ALA 47 2HB ALA 47 3.639 11.738 9.209 1253 3HB ALA 47 3HB ALA 47 3.522 10.716 10.662 1254 H PHE 48 H PHE 48 5.917 8.631 11.110 1255 HA PHE 48 HA PHE 48 5.283 7.009 8.745 1256 1HB PHE 48 1HB PHE 48 7.684 6.912 9.340 1257 2HB PHE 48 2HB PHE 48 7.304 6.727 11.040 1258 HD1 PHE 48 HD1 PHE 48 7.867 5.030 7.928 1259 HD2 PHE 48 HD2 PHE 48 6.222 4.577 11.813 1260 HE1 PHE 48 HE1 PHE 48 7.968 2.534 7.679 1261 HE2 PHE 48 HE2 PHE 48 6.323 2.081 11.565 1262 HZ PHE 48 HZ PHE 48 7.194 1.090 9.501 1263 H HIS 49 H HIS 49 3.604 5.601 8.975 1264 HA HIS 49 HA HIS 49 2.866 4.903 11.723 1265 1HB HIS 49 1HB HIS 49 0.481 4.882 10.883 1266 2HB HIS 49 2HB HIS 49 1.223 6.456 11.088 1267 HD1 HIS 49 HD1 HIS 49 1.341 7.977 9.054 1268 HD2 HIS 49 HD2 HIS 49 0.256 4.041 8.093 1269 HE1 HIS 49 HE1 HIS 49 0.645 8.007 6.600 1270 HE2 HIS 49 HE2 HIS 49 0.041 5.551 6.052 1271 H TRP 50 H TRP 50 1.615 2.809 11.857 1272 HA TRP 50 HA TRP 50 2.495 1.008 9.703 1273 1HB TRP 50 1HB TRP 50 2.912 -0.686 11.281 1274 2HB TRP 50 2HB TRP 50 3.720 0.757 11.861 1275 HD1 TRP 50 HD1 TRP 50 1.917 2.204 13.743 1276 HE1 TRP 50 HE1 TRP 50 0.673 1.221 15.852 1277 HE3 TRP 50 HE3 TRP 50 2.061 -2.646 12.221 1278 HZ2 TRP 50 HZ2 TRP 50 -0.094 -1.416 16.630 1279 HZ3 TRP 50 HZ3 TRP 50 1.042 -4.362 13.715 1280 HH2 TRP 50 HH2 TRP 50 -0.009 -3.813 15.852 1281 H GLY 51 H GLY 51 0.994 -0.803 9.269 1282 1HA GLY 51 1HA GLY 51 -1.735 -0.371 10.297 1283 2HA GLY 51 2HA GLY 51 -1.441 -0.425 8.571 1284 H LYS 52 H LYS 52 -3.047 -2.275 10.293 1285 HA LYS 52 HA LYS 52 -1.513 -4.730 9.785 1286 1HB LYS 52 1HB LYS 52 -2.790 -5.761 11.609 1287 2HB LYS 52 2HB LYS 52 -1.843 -4.396 12.165 1288 1HG LYS 52 1HG LYS 52 -3.699 -3.270 12.840 1289 2HG LYS 52 2HG LYS 52 -4.486 -3.500 11.292 1290 1HD LYS 52 1HD LYS 52 -4.409 -5.514 13.588 1291 2HD LYS 52 2HD LYS 52 -5.800 -4.574 13.087 1292 1HE LYS 52 1HE LYS 52 -5.397 -5.704 10.725 1293 2HE LYS 52 2HE LYS 52 -4.451 -6.868 11.631 1294 1HZ LYS 52 1HZ LYS 52 -7.260 -6.551 11.531 1295 2HZ LYS 52 2HZ LYS 52 -6.380 -7.827 12.046 1296 3HZ LYS 52 3HZ LYS 52 -6.721 -6.602 13.072 1297 H ASP 53 H ASP 53 -2.759 -6.583 8.993 1298 HA ASP 53 HA ASP 53 -4.948 -5.620 7.352 1299 1HB ASP 53 1HB ASP 53 -3.346 -6.686 5.977 1300 2HB ASP 53 2HB ASP 53 -2.984 -7.911 7.177 1301 H VAL 54 H VAL 54 -6.761 -7.372 6.992 1302 HA VAL 54 HA VAL 54 -7.371 -8.548 9.603 1303 HB VAL 54 HB VAL 54 -9.698 -8.676 8.470 1304 1HG1 VAL 54 1HG1 VAL 54 -10.207 -6.370 9.186 1305 2HG1 VAL 54 2HG1 VAL 54 -9.168 -7.216 10.358 1306 3HG1 VAL 54 3HG1 VAL 54 -8.465 -6.012 9.252 1307 1HG2 VAL 54 1HG2 VAL 54 -10.163 -7.282 6.651 1308 2HG2 VAL 54 2HG2 VAL 54 -8.642 -6.375 6.829 1309 3HG2 VAL 54 3HG2 VAL 54 -8.617 -8.041 6.202 1310 H SER 55 H SER 55 -7.089 -10.698 9.846 1311 HA SER 55 HA SER 55 -7.171 -12.839 9.405 1312 1HB SER 55 1HB SER 55 -8.878 -11.837 7.374 1313 2HB SER 55 2HB SER 55 -7.776 -12.919 6.547 1314 HG SER 55 HG SER 55 -9.919 -13.615 7.945 1315 H ILE 56 H ILE 56 -5.624 -14.409 8.622 1316 HA ILE 56 HA ILE 56 -3.519 -13.207 6.960 1317 HB ILE 56 HB ILE 56 -3.032 -13.601 9.417 1318 1HG1 ILE 56 1HG1 ILE 56 -1.047 -15.204 7.916 1319 2HG1 ILE 56 2HG1 ILE 56 -1.440 -13.652 7.204 1320 1HG2 ILE 56 1HG2 ILE 56 -2.251 -16.327 9.206 1321 2HG2 ILE 56 2HG2 ILE 56 -3.424 -15.585 10.321 1322 3HG2 ILE 56 3HG2 ILE 56 -3.967 -16.214 8.746 1323 1HD1 ILE 56 1HD1 ILE 56 -1.176 -12.810 9.745 1324 2HD1 ILE 56 2HD1 ILE 56 -0.147 -14.259 9.849 1325 3HD1 ILE 56 3HD1 ILE 56 0.231 -12.981 8.668 1326 H GLU 57 H GLU 57 -6.110 -14.961 6.515 1327 HA GLU 57 HA GLU 57 -5.641 -17.467 5.873 1328 1HB GLU 57 1HB GLU 57 -7.215 -15.304 4.497 1329 2HB GLU 57 2HB GLU 57 -7.065 -16.844 3.673 1330 1HG GLU 57 1HG GLU 57 -7.702 -17.782 6.134 1331 2HG GLU 57 2HG GLU 57 -8.447 -16.201 6.268 1332 H ASN 58 H ASN 58 -4.986 -18.660 3.895 1333 HA ASN 58 HA ASN 58 -2.507 -17.778 3.004 1334 1HB ASN 58 1HB ASN 58 -3.579 -20.198 3.114 1335 2HB ASN 58 2HB ASN 58 -4.198 -19.829 1.517 1336 1HD2 ASN 58 1HD2 ASN 58 -2.774 -21.806 1.219 1337 2HD2 ASN 58 2HD2 ASN 58 -1.134 -21.535 0.732 1338 H LEU 59 H LEU 59 -3.280 -15.553 2.203 1339 HA LEU 59 HA LEU 59 -3.633 -15.643 -0.624 1340 1HB LEU 59 1HB LEU 59 -5.957 -15.986 0.240 1341 2HB LEU 59 2HB LEU 59 -5.861 -14.409 0.999 1342 HG LEU 59 HG LEU 59 -5.444 -13.425 -1.292 1343 1HD1 LEU 59 1HD1 LEU 59 -6.444 -15.012 -3.137 1344 2HD1 LEU 59 2HD1 LEU 59 -4.719 -15.080 -2.703 1345 3HD1 LEU 59 3HD1 LEU 59 -5.850 -16.291 -2.052 1346 1HD2 LEU 59 1HD2 LEU 59 -8.093 -14.755 -1.456 1347 2HD2 LEU 59 2HD2 LEU 59 -7.742 -13.840 0.029 1348 3HD2 LEU 59 3HD2 LEU 59 -7.657 -13.033 -1.555 1349 H HIS 60 H HIS 60 -1.562 -14.793 1.127 1350 HA HIS 60 HA HIS 60 -1.485 -12.022 0.334 1351 1HB HIS 60 1HB HIS 60 -1.198 -11.061 2.421 1352 2HB HIS 60 2HB HIS 60 -2.502 -12.200 2.691 1353 HD1 HIS 60 HD1 HIS 60 0.897 -11.319 3.832 1354 HD2 HIS 60 HD2 HIS 60 -1.667 -14.628 4.096 1355 HE1 HIS 60 HE1 HIS 60 1.830 -12.800 5.689 1356 HE2 HIS 60 HE2 HIS 60 0.183 -14.789 5.842 1357 H GLN 61 H GLN 61 0.627 -11.321 -0.104 1358 HA GLN 61 HA GLN 61 2.582 -13.462 0.086 1359 1HB GLN 61 1HB GLN 61 2.091 -11.213 -1.830 1360 2HB GLN 61 2HB GLN 61 3.767 -11.647 -1.557 1361 1HG GLN 61 1HG GLN 61 3.563 -13.547 -2.787 1362 2HG GLN 61 2HG GLN 61 2.157 -14.062 -1.876 1363 1HE2 GLN 61 1HE2 GLN 61 0.493 -14.436 -3.106 1364 2HE2 GLN 61 2HE2 GLN 61 -0.010 -13.546 -4.505 1365 H GLY 62 H GLY 62 1.626 -11.186 2.099 1366 1HA GLY 62 1HA GLY 62 3.279 -10.831 3.919 1367 2HA GLY 62 2HA GLY 62 4.344 -10.175 2.691 1368 H TYR 63 H TYR 63 1.225 -9.373 1.717 1369 HA TYR 63 HA TYR 63 1.580 -6.644 2.218 1370 1HB TYR 63 1HB TYR 63 -0.570 -8.594 1.319 1371 2HB TYR 63 2HB TYR 63 -1.109 -6.978 1.731 1372 HD1 TYR 63 HD1 TYR 63 -0.851 -8.681 -1.013 1373 HD2 TYR 63 HD2 TYR 63 1.212 -5.361 0.727 1374 HE1 TYR 63 HE1 TYR 63 -0.193 -7.866 -3.330 1375 HE2 TYR 63 HE2 TYR 63 1.863 -4.558 -1.596 1376 HH TYR 63 HH TYR 63 1.616 -4.838 -3.729 1377 H THR 64 H THR 64 0.006 -9.252 4.065 1378 HA THR 64 HA THR 64 -1.755 -7.988 5.649 1379 HB THR 64 HB THR 64 -0.775 -9.628 7.457 1380 HG1 THR 64 HG1 THR 64 0.849 -11.023 6.431 1381 1HG2 THR 64 1HG2 THR 64 -1.124 -11.637 5.652 1382 2HG2 THR 64 2HG2 THR 64 -2.497 -10.737 6.342 1383 3HG2 THR 64 3HG2 THR 64 -1.866 -10.304 4.735 1384 H HIS 65 H HIS 65 1.736 -7.435 5.585 1385 HA HIS 65 HA HIS 65 1.280 -5.335 7.560 1386 1HB HIS 65 1HB HIS 65 3.292 -7.550 7.661 1387 2HB HIS 65 2HB HIS 65 3.769 -5.967 8.244 1388 HD1 HIS 65 HD1 HIS 65 1.246 -8.727 8.930 1389 HD2 HIS 65 HD2 HIS 65 2.756 -5.256 10.737 1390 HE1 HIS 65 HE1 HIS 65 0.346 -8.715 11.317 1391 HE2 HIS 65 HE2 HIS 65 1.352 -6.588 12.394 1392 H ILE 66 H ILE 66 1.698 -3.418 6.596 1393 HA ILE 66 HA ILE 66 4.004 -3.306 4.803 1394 HB ILE 66 HB ILE 66 2.698 -1.891 3.250 1395 1HG1 ILE 66 1HG1 ILE 66 0.128 -2.960 4.316 1396 2HG1 ILE 66 2HG1 ILE 66 0.856 -1.626 5.188 1397 1HG2 ILE 66 1HG2 ILE 66 1.105 -4.225 2.898 1398 2HG2 ILE 66 2HG2 ILE 66 2.596 -3.751 2.050 1399 3HG2 ILE 66 3HG2 ILE 66 2.689 -4.727 3.536 1400 1HD1 ILE 66 1HD1 ILE 66 1.124 -0.914 2.464 1401 2HD1 ILE 66 2HD1 ILE 66 -0.508 -1.610 2.606 1402 3HD1 ILE 66 3HD1 ILE 66 -0.034 -0.237 3.635 1403 H PHE 67 H PHE 67 5.227 -1.445 5.018 1404 HA PHE 67 HA PHE 67 4.276 0.373 7.108 1405 1HB PHE 67 1HB PHE 67 7.051 -0.244 5.924 1406 2HB PHE 67 2HB PHE 67 6.776 0.874 7.246 1407 HD1 PHE 67 HD1 PHE 67 4.828 -0.630 8.888 1408 HD2 PHE 67 HD2 PHE 67 8.311 -1.958 6.860 1409 HE1 PHE 67 HE1 PHE 67 5.066 -2.513 10.530 1410 HE2 PHE 67 HE2 PHE 67 8.549 -3.842 8.502 1411 HZ PHE 67 HZ PHE 67 6.924 -4.097 10.317 1412 H GLU 68 H GLU 68 3.479 2.290 6.398 1413 HA GLU 68 HA GLU 68 4.471 3.233 3.833 1414 1HB GLU 68 1HB GLU 68 1.962 2.876 4.262 1415 2HB GLU 68 2HB GLU 68 2.035 4.246 5.352 1416 1HG GLU 68 1HG GLU 68 2.068 5.741 3.634 1417 2HG GLU 68 2HG GLU 68 3.336 4.869 2.795 1418 H SER 69 H SER 69 5.908 4.908 3.796 1419 HA SER 69 HA SER 69 6.050 6.508 6.229 1420 1HB SER 69 1HB SER 69 8.059 5.033 5.261 1421 2HB SER 69 2HB SER 69 8.290 6.416 4.210 1422 HG SER 69 HG SER 69 9.092 6.136 6.766 1423 H THR 70 H THR 70 5.365 8.610 6.036 1424 HA THR 70 HA THR 70 4.808 9.637 3.391 1425 HB THR 70 HB THR 70 4.301 10.549 6.263 1426 HG1 THR 70 HG1 THR 70 2.078 10.212 5.234 1427 1HG2 THR 70 1HG2 THR 70 4.520 12.617 4.942 1428 2HG2 THR 70 2HG2 THR 70 3.574 11.904 3.613 1429 3HG2 THR 70 3HG2 THR 70 2.788 12.273 5.167 1430 H PHE 71 H PHE 71 5.998 11.021 2.220 1431 HA PHE 71 HA PHE 71 8.219 12.322 3.630 1432 1HB PHE 71 1HB PHE 71 8.037 11.024 0.846 1433 2HB PHE 71 2HB PHE 71 9.415 11.975 1.364 1434 HD1 PHE 71 HD1 PHE 71 7.993 8.732 1.252 1435 HD2 PHE 71 HD2 PHE 71 10.644 11.166 3.499 1436 HE1 PHE 71 HE1 PHE 71 9.038 6.677 2.244 1437 HE2 PHE 71 HE2 PHE 71 11.690 9.111 4.491 1438 HZ PHE 71 HZ PHE 71 10.874 6.891 3.852 1439 H GLU 72 H GLU 72 9.163 14.169 2.133 1440 HA GLU 72 HA GLU 72 6.832 15.675 1.278 1441 1HB GLU 72 1HB GLU 72 8.194 17.672 1.620 1442 2HB GLU 72 2HB GLU 72 8.293 16.661 3.048 1443 1HG GLU 72 1HG GLU 72 10.533 16.295 2.780 1444 2HG GLU 72 2HG GLU 72 10.370 15.985 1.063 1445 H SER 73 H SER 73 9.372 13.788 0.034 1446 HA SER 73 HA SER 73 8.724 14.255 -2.568 1447 1HB SER 73 1HB SER 73 10.204 16.437 -1.653 1448 2HB SER 73 2HB SER 73 11.427 15.443 -2.420 1449 HG SER 73 HG SER 73 10.298 17.012 -3.852 1450 H LYS 74 H LYS 74 10.365 13.158 -4.099 1451 HA LYS 74 HA LYS 74 11.245 10.773 -2.889 1452 1HB LYS 74 1HB LYS 74 11.977 10.162 -5.105 1453 2HB LYS 74 2HB LYS 74 10.410 10.940 -5.205 1454 1HG LYS 74 1HG LYS 74 12.641 12.870 -5.394 1455 2HG LYS 74 2HG LYS 74 12.700 11.656 -6.656 1456 1HD LYS 74 1HD LYS 74 10.051 12.982 -6.049 1457 2HD LYS 74 2HD LYS 74 11.249 13.882 -6.957 1458 1HE LYS 74 1HE LYS 74 10.666 12.757 -8.837 1459 2HE LYS 74 2HE LYS 74 11.187 11.256 -8.098 1460 1HZ LYS 74 1HZ LYS 74 8.969 10.936 -8.554 1461 2HZ LYS 74 2HZ LYS 74 8.933 11.323 -6.968 1462 3HZ LYS 74 3HZ LYS 74 8.516 12.435 -8.090 1463 H GLU 75 H GLU 75 12.724 13.918 -3.506 1464 HA GLU 75 HA GLU 75 15.371 13.067 -3.455 1465 1HB GLU 75 1HB GLU 75 14.131 15.746 -2.689 1466 2HB GLU 75 2HB GLU 75 15.851 15.485 -2.902 1467 1HG GLU 75 1HG GLU 75 15.249 14.576 -5.268 1468 2HG GLU 75 2HG GLU 75 13.662 15.273 -5.008 1469 H ALA 76 H ALA 76 13.015 13.929 -0.894 1470 HA ALA 76 HA ALA 76 14.887 14.036 1.207 1471 1HB ALA 76 1HB ALA 76 11.891 13.715 0.966 1472 2HB ALA 76 2HB ALA 76 12.693 13.583 2.550 1473 3HB ALA 76 3HB ALA 76 12.827 15.087 1.607 1474 H VAL 77 H VAL 77 13.131 11.416 -0.452 1475 HA VAL 77 HA VAL 77 13.500 9.451 1.506 1476 HB VAL 77 HB VAL 77 12.917 9.526 -1.425 1477 1HG1 VAL 77 1HG1 VAL 77 14.351 7.635 -1.399 1478 2HG1 VAL 77 2HG1 VAL 77 13.690 7.057 0.150 1479 3HG1 VAL 77 3HG1 VAL 77 12.693 6.990 -1.323 1480 1HG2 VAL 77 1HG2 VAL 77 10.813 8.624 -0.786 1481 2HG2 VAL 77 2HG2 VAL 77 11.411 8.170 0.827 1482 3HG2 VAL 77 3HG2 VAL 77 11.193 9.887 0.409 1483 H ALA 78 H ALA 78 15.515 10.567 -1.269 1484 HA ALA 78 HA ALA 78 17.442 8.584 -1.143 1485 1HB ALA 78 1HB ALA 78 17.728 9.866 -3.010 1486 2HB ALA 78 2HB ALA 78 17.187 11.355 -2.200 1487 3HB ALA 78 3HB ALA 78 18.849 10.765 -1.960 1488 H GLU 79 H GLU 79 17.062 11.650 0.713 1489 HA GLU 79 HA GLU 79 19.545 11.460 1.968 1490 1HB GLU 79 1HB GLU 79 17.106 13.110 2.177 1491 2HB GLU 79 2HB GLU 79 17.904 12.888 3.722 1492 1HG GLU 79 1HG GLU 79 19.891 13.937 3.012 1493 2HG GLU 79 2HG GLU 79 19.598 13.588 1.320 1494 H TYR 80 H TYR 80 16.293 10.153 2.696 1495 HA TYR 80 HA TYR 80 16.919 9.336 5.337 1496 1HB TYR 80 1HB TYR 80 14.608 9.678 4.502 1497 2HB TYR 80 2HB TYR 80 14.883 8.590 3.155 1498 HD1 TYR 80 HD1 TYR 80 13.718 6.601 3.320 1499 HD2 TYR 80 HD2 TYR 80 15.262 8.375 6.894 1500 HE1 TYR 80 HE1 TYR 80 12.776 4.678 4.690 1501 HE2 TYR 80 HE2 TYR 80 14.315 6.446 8.252 1502 HH TYR 80 HH TYR 80 12.098 4.700 7.594 1503 H ILE 81 H ILE 81 16.926 7.707 2.108 1504 HA ILE 81 HA ILE 81 17.561 5.168 3.148 1505 HB ILE 81 HB ILE 81 17.905 6.363 0.397 1506 1HG1 ILE 81 1HG1 ILE 81 15.719 4.569 1.490 1507 2HG1 ILE 81 2HG1 ILE 81 15.579 6.306 1.311 1508 1HG2 ILE 81 1HG2 ILE 81 17.782 3.415 0.972 1509 2HG2 ILE 81 2HG2 ILE 81 18.387 4.268 -0.468 1510 3HG2 ILE 81 3HG2 ILE 81 19.329 4.292 1.042 1511 1HD1 ILE 81 1HD1 ILE 81 16.160 4.342 -0.954 1512 2HD1 ILE 81 2HD1 ILE 81 14.598 5.136 -0.638 1513 3HD1 ILE 81 3HD1 ILE 81 16.006 6.107 -1.133 1514 H ALA 82 H ALA 82 19.436 8.070 2.378 1515 HA ALA 82 HA ALA 82 21.942 6.724 2.271 1516 1HB ALA 82 1HB ALA 82 22.441 9.385 2.879 1517 2HB ALA 82 2HB ALA 82 22.262 8.711 1.241 1518 3HB ALA 82 3HB ALA 82 20.865 9.454 2.056 1519 H HIS 83 H HIS 83 19.778 7.869 4.793 1520 HA HIS 83 HA HIS 83 21.638 8.329 6.799 1521 1HB HIS 83 1HB HIS 83 18.907 8.478 6.528 1522 2HB HIS 83 2HB HIS 83 19.078 7.133 7.638 1523 HD1 HIS 83 HD1 HIS 83 20.167 7.630 9.991 1524 HD2 HIS 83 HD2 HIS 83 19.565 11.005 7.573 1525 HE1 HIS 83 HE1 HIS 83 20.433 9.659 11.516 1526 HE2 HIS 83 HE2 HIS 83 20.107 11.703 9.963 1527 HA PRO 84 HA PRO 84 23.013 4.252 7.467 1528 1HB PRO 84 1HB PRO 84 24.727 4.763 9.533 1529 2HB PRO 84 2HB PRO 84 25.169 4.963 7.850 1530 1HG PRO 84 1HG PRO 84 24.532 7.037 9.857 1531 2HG PRO 84 2HG PRO 84 25.372 7.210 8.329 1532 1HD PRO 84 1HD PRO 84 22.657 7.948 8.889 1533 2HD PRO 84 2HD PRO 84 23.462 8.013 7.333 1534 H ALA 85 H ALA 85 21.706 6.234 10.004 1535 HA ALA 85 HA ALA 85 21.427 4.238 11.918 1536 1HB ALA 85 1HB ALA 85 21.050 6.869 11.912 1537 2HB ALA 85 2HB ALA 85 19.363 6.400 11.593 1538 3HB ALA 85 3HB ALA 85 20.184 5.824 13.063 1539 H HIS 86 H HIS 86 19.352 5.219 9.140 1540 HA HIS 86 HA HIS 86 17.296 3.392 9.854 1541 1HB HIS 86 1HB HIS 86 16.398 5.089 8.644 1542 2HB HIS 86 2HB HIS 86 17.844 5.335 7.686 1543 HD1 HIS 86 HD1 HIS 86 15.322 2.443 7.987 1544 HD2 HIS 86 HD2 HIS 86 17.318 4.727 5.091 1545 HE1 HIS 86 HE1 HIS 86 14.554 1.554 5.722 1546 HE2 HIS 86 HE2 HIS 86 15.773 3.032 3.982 1547 H VAL 87 H VAL 87 20.149 3.393 7.676 1548 HA VAL 87 HA VAL 87 19.560 1.090 6.257 1549 HB VAL 87 HB VAL 87 22.057 2.544 7.046 1550 1HG1 VAL 87 1HG1 VAL 87 22.922 0.736 5.141 1551 2HG1 VAL 87 2HG1 VAL 87 23.270 0.662 6.885 1552 3HG1 VAL 87 3HG1 VAL 87 21.908 -0.264 6.209 1553 1HG2 VAL 87 1HG2 VAL 87 20.236 2.938 5.052 1554 2HG2 VAL 87 2HG2 VAL 87 21.936 3.459 4.985 1555 3HG2 VAL 87 3HG2 VAL 87 21.443 1.929 4.220 1556 H GLU 88 H GLU 88 21.125 1.559 9.473 1557 HA GLU 88 HA GLU 88 21.806 -1.113 9.804 1558 1HB GLU 88 1HB GLU 88 22.437 1.113 11.137 1559 2HB GLU 88 2HB GLU 88 21.102 0.629 12.164 1560 1HG GLU 88 1HG GLU 88 22.203 -1.688 12.326 1561 2HG GLU 88 2HG GLU 88 23.597 -1.002 11.515 1562 H PHE 89 H PHE 89 18.893 0.799 10.775 1563 HA PHE 89 HA PHE 89 17.642 -1.236 12.200 1564 1HB PHE 89 1HB PHE 89 16.961 1.143 12.261 1565 2HB PHE 89 2HB PHE 89 16.698 1.162 10.528 1566 HD1 PHE 89 HD1 PHE 89 15.198 0.655 13.719 1567 HD2 PHE 89 HD2 PHE 89 14.806 -0.308 9.604 1568 HE1 PHE 89 HE1 PHE 89 12.778 0.097 14.080 1569 HE2 PHE 89 HE2 PHE 89 12.386 -0.866 9.966 1570 HZ PHE 89 HZ PHE 89 11.401 -0.657 12.199 1571 H ALA 90 H ALA 90 17.227 -0.188 8.743 1572 HA ALA 90 HA ALA 90 15.332 -2.126 8.103 1573 1HB ALA 90 1HB ALA 90 16.625 0.020 6.862 1574 2HB ALA 90 2HB ALA 90 17.128 -1.396 5.908 1575 3HB ALA 90 3HB ALA 90 15.398 -1.041 6.128 1576 H THR 91 H THR 91 18.936 -2.143 8.041 1577 HA THR 91 HA THR 91 19.218 -4.610 6.744 1578 HB THR 91 HB THR 91 20.946 -2.996 8.683 1579 HG1 THR 91 HG1 THR 91 20.884 -3.613 5.811 1580 1HG2 THR 91 1HG2 THR 91 21.841 -5.267 8.780 1581 2HG2 THR 91 2HG2 THR 91 21.593 -5.490 7.031 1582 3HG2 THR 91 3HG2 THR 91 22.837 -4.359 7.616 1583 H ILE 92 H ILE 92 18.719 -3.759 10.195 1584 HA ILE 92 HA ILE 92 19.107 -6.454 11.045 1585 HB ILE 92 HB ILE 92 18.256 -3.878 12.295 1586 1HG1 ILE 92 1HG1 ILE 92 20.355 -5.864 13.184 1587 2HG1 ILE 92 2HG1 ILE 92 20.673 -4.660 11.951 1588 1HG2 ILE 92 1HG2 ILE 92 17.541 -6.599 13.257 1589 2HG2 ILE 92 2HG2 ILE 92 18.188 -5.455 14.458 1590 3HG2 ILE 92 3HG2 ILE 92 16.737 -5.032 13.518 1591 1HD1 ILE 92 1HD1 ILE 92 19.810 -4.145 14.830 1592 2HD1 ILE 92 2HD1 ILE 92 21.369 -3.730 14.080 1593 3HD1 ILE 92 3HD1 ILE 92 19.888 -2.875 13.587 1594 H PHE 93 H PHE 93 16.385 -4.424 9.966 1595 HA PHE 93 HA PHE 93 14.375 -6.175 10.907 1596 1HB PHE 93 1HB PHE 93 14.520 -3.613 9.962 1597 2HB PHE 93 2HB PHE 93 14.103 -4.402 8.454 1598 HD1 PHE 93 HD1 PHE 93 11.984 -5.853 8.425 1599 HD2 PHE 93 HD2 PHE 93 12.855 -3.076 11.513 1600 HE1 PHE 93 HE1 PHE 93 9.560 -5.817 9.076 1601 HE2 PHE 93 HE2 PHE 93 10.431 -3.040 12.164 1602 HZ PHE 93 HZ PHE 93 8.812 -4.411 10.938 1603 H LEU 94 H LEU 94 15.856 -5.600 7.638 1604 HA LEU 94 HA LEU 94 14.354 -7.614 6.382 1605 1HB LEU 94 1HB LEU 94 15.471 -7.032 4.504 1606 2HB LEU 94 2HB LEU 94 15.716 -5.585 5.462 1607 HG LEU 94 HG LEU 94 17.953 -6.744 6.180 1608 1HD1 LEU 94 1HD1 LEU 94 16.949 -8.545 4.099 1609 2HD1 LEU 94 2HD1 LEU 94 18.601 -7.957 3.795 1610 3HD1 LEU 94 3HD1 LEU 94 18.220 -8.789 5.321 1611 1HD2 LEU 94 1HD2 LEU 94 17.566 -4.664 4.751 1612 2HD2 LEU 94 2HD2 LEU 94 19.108 -5.527 4.537 1613 3HD2 LEU 94 3HD2 LEU 94 17.804 -5.726 3.342 1614 H GLY 95 H GLY 95 17.261 -7.620 8.387 1615 1HA GLY 95 1HA GLY 95 18.301 -10.118 7.545 1616 2HA GLY 95 2HA GLY 95 18.649 -9.271 9.039 1617 H SER 96 H SER 96 15.501 -9.201 9.434 1618 HA SER 96 HA SER 96 15.321 -11.972 10.327 1619 1HB SER 96 1HB SER 96 14.810 -9.404 11.807 1620 2HB SER 96 2HB SER 96 13.757 -10.760 12.159 1621 HG SER 96 HG SER 96 16.018 -10.380 13.319 1622 H LEU 97 H LEU 97 14.354 -10.334 7.880 1623 HA LEU 97 HA LEU 97 11.489 -10.873 8.249 1624 1HB LEU 97 1HB LEU 97 12.166 -8.467 7.982 1625 2HB LEU 97 2HB LEU 97 12.730 -8.863 6.371 1626 HG LEU 97 HG LEU 97 10.224 -9.827 6.177 1627 1HD1 LEU 97 1HD1 LEU 97 8.643 -8.322 7.282 1628 2HD1 LEU 97 2HD1 LEU 97 9.610 -9.233 8.467 1629 3HD1 LEU 97 3HD1 LEU 97 9.987 -7.525 8.135 1630 1HD2 LEU 97 1HD2 LEU 97 10.491 -6.873 5.833 1631 2HD2 LEU 97 2HD2 LEU 97 11.598 -7.936 4.930 1632 3HD2 LEU 97 3HD2 LEU 97 9.838 -8.107 4.728 1633 H ASP 98 H ASP 98 10.374 -11.904 6.497 1634 HA ASP 98 HA ASP 98 11.926 -13.853 5.261 1635 1HB ASP 98 1HB ASP 98 9.530 -14.150 5.817 1636 2HB ASP 98 2HB ASP 98 9.087 -12.882 4.691 1637 H LYS 99 H LYS 99 9.767 -11.344 3.718 1638 HA LYS 99 HA LYS 99 11.884 -10.673 1.857 1639 1HB LYS 99 1HB LYS 99 10.544 -11.117 -0.122 1640 2HB LYS 99 2HB LYS 99 10.805 -12.593 0.785 1641 1HG LYS 99 1HG LYS 99 8.575 -12.883 1.128 1642 2HG LYS 99 2HG LYS 99 8.382 -11.245 1.719 1643 1HD LYS 99 1HD LYS 99 7.652 -10.458 -0.308 1644 2HD LYS 99 2HD LYS 99 8.840 -11.381 -1.207 1645 1HE LYS 99 1HE LYS 99 6.270 -12.517 -0.001 1646 2HE LYS 99 2HE LYS 99 6.512 -12.142 -1.696 1647 1HZ LYS 99 1HZ LYS 99 8.568 -13.697 -1.306 1648 2HZ LYS 99 2HZ LYS 99 7.606 -14.313 -0.139 1649 3HZ LYS 99 3HZ LYS 99 7.098 -14.297 -1.691 1650 H VAL 100 H VAL 100 11.375 -8.675 0.637 1651 HA VAL 100 HA VAL 100 9.051 -7.213 1.519 1652 HB VAL 100 HB VAL 100 10.301 -6.600 3.354 1653 1HG1 VAL 100 1HG1 VAL 100 12.790 -6.369 1.628 1654 2HG1 VAL 100 2HG1 VAL 100 12.693 -6.173 3.395 1655 3HG1 VAL 100 3HG1 VAL 100 12.381 -7.763 2.657 1656 1HG2 VAL 100 1HG2 VAL 100 11.523 -4.398 1.838 1657 2HG2 VAL 100 2HG2 VAL 100 9.813 -4.682 1.433 1658 3HG2 VAL 100 3HG2 VAL 100 10.288 -4.365 3.119 1659 H LEU 101 H LEU 101 8.431 -5.681 -0.004 1660 HA LEU 101 HA LEU 101 10.331 -5.250 -2.198 1661 1HB LEU 101 1HB LEU 101 7.427 -6.039 -2.358 1662 2HB LEU 101 2HB LEU 101 8.275 -5.285 -3.693 1663 HG LEU 101 HG LEU 101 8.379 -7.550 -4.193 1664 1HD1 LEU 101 1HD1 LEU 101 10.677 -6.242 -3.909 1665 2HD1 LEU 101 2HD1 LEU 101 10.971 -7.533 -2.719 1666 3HD1 LEU 101 3HD1 LEU 101 10.610 -7.948 -4.412 1667 1HD2 LEU 101 1HD2 LEU 101 9.210 -8.240 -1.367 1668 2HD2 LEU 101 2HD2 LEU 101 7.527 -8.273 -1.943 1669 3HD2 LEU 101 3HD2 LEU 101 8.739 -9.351 -2.676 1670 H VAL 102 H VAL 102 10.543 -3.144 -2.859 1671 HA VAL 102 HA VAL 102 8.931 -1.218 -1.367 1672 HB VAL 102 HB VAL 102 10.704 0.371 -2.129 1673 1HG1 VAL 102 1HG1 VAL 102 11.499 -2.059 -0.498 1674 2HG1 VAL 102 2HG1 VAL 102 12.482 -0.580 -0.611 1675 3HG1 VAL 102 3HG1 VAL 102 10.848 -0.511 0.092 1676 1HG2 VAL 102 1HG2 VAL 102 12.621 -1.773 -2.750 1677 2HG2 VAL 102 2HG2 VAL 102 11.341 -1.573 -3.971 1678 3HG2 VAL 102 3HG2 VAL 102 12.372 -0.192 -3.528 1679 H ILE 103 H ILE 103 7.238 -0.254 -2.352 1680 HA ILE 103 HA ILE 103 7.448 0.213 -5.227 1681 HB ILE 103 HB ILE 103 4.974 -0.947 -3.954 1682 1HG1 ILE 103 1HG1 ILE 103 6.857 -2.560 -3.829 1683 2HG1 ILE 103 2HG1 ILE 103 5.544 -3.093 -4.859 1684 1HG2 ILE 103 1HG2 ILE 103 4.286 0.169 -5.859 1685 2HG2 ILE 103 2HG2 ILE 103 5.788 -0.189 -6.744 1686 3HG2 ILE 103 3HG2 ILE 103 4.588 -1.475 -6.472 1687 1HD1 ILE 103 1HD1 ILE 103 6.835 -3.049 -6.746 1688 2HD1 ILE 103 2HD1 ILE 103 7.615 -1.515 -6.288 1689 3HD1 ILE 103 3HD1 ILE 103 8.201 -3.051 -5.604 1690 H ASP 104 H ASP 104 6.612 2.182 -5.878 1691 HA ASP 104 HA ASP 104 5.730 3.843 -3.676 1692 1HB ASP 104 1HB ASP 104 7.520 4.255 -5.791 1693 2HB ASP 104 2HB ASP 104 6.088 5.109 -6.330 1694 H TYR 105 H TYR 105 3.610 4.707 -3.654 1695 HA TYR 105 HA TYR 105 1.954 4.088 -6.008 1696 1HB TYR 105 1HB TYR 105 1.522 2.793 -3.847 1697 2HB TYR 105 2HB TYR 105 1.327 4.314 -2.997 1698 HD1 TYR 105 HD1 TYR 105 -0.294 1.795 -5.009 1699 HD2 TYR 105 HD2 TYR 105 -0.621 5.829 -3.622 1700 HE1 TYR 105 HE1 TYR 105 -2.778 1.786 -5.549 1701 HE2 TYR 105 HE2 TYR 105 -3.105 5.807 -4.167 1702 HH TYR 105 HH TYR 105 -4.542 3.151 -5.917 1703 H LYS 106 H LYS 106 0.816 5.749 -6.937 1704 HA LYS 106 HA LYS 106 0.802 8.283 -5.451 1705 1HB LYS 106 1HB LYS 106 2.449 8.562 -7.130 1706 2HB LYS 106 2HB LYS 106 1.480 7.754 -8.346 1707 1HG LYS 106 1HG LYS 106 0.516 9.719 -8.930 1708 2HG LYS 106 2HG LYS 106 -0.083 9.940 -7.298 1709 1HD LYS 106 1HD LYS 106 2.333 10.758 -6.723 1710 2HD LYS 106 2HD LYS 106 2.571 10.872 -8.456 1711 1HE LYS 106 1HE LYS 106 0.045 12.115 -7.466 1712 2HE LYS 106 2HE LYS 106 1.510 12.885 -6.891 1713 1HZ LYS 106 1HZ LYS 106 0.550 12.610 -9.614 1714 2HZ LYS 106 2HZ LYS 106 1.212 13.906 -8.874 1715 3HZ LYS 106 3HZ LYS 106 2.164 12.678 -9.375 1716 HA PRO 107 HA PRO 107 -3.469 7.912 -6.107 1717 1HB PRO 107 1HB PRO 107 -4.249 10.298 -5.026 1718 2HB PRO 107 2HB PRO 107 -3.933 8.868 -4.064 1719 1HG PRO 107 1HG PRO 107 -2.265 11.287 -4.393 1720 2HG PRO 107 2HG PRO 107 -2.188 10.062 -3.141 1721 1HD PRO 107 1HD PRO 107 -0.412 10.347 -5.375 1722 2HD PRO 107 2HD PRO 107 -0.406 9.057 -4.190 1723 H THR 108 H THR 108 -3.515 7.772 -8.361 1724 HA THR 108 HA THR 108 -3.711 10.399 -9.657 1725 HB THR 108 HB THR 108 -3.044 7.569 -10.582 1726 HG1 THR 108 HG1 THR 108 -1.476 9.209 -9.659 1727 1HG2 THR 108 1HG2 THR 108 -4.588 8.884 -12.243 1728 2HG2 THR 108 2HG2 THR 108 -3.221 10.015 -12.393 1729 3HG2 THR 108 3HG2 THR 108 -3.021 8.309 -12.862 1730 H SER 109 H SER 109 -5.738 11.187 -9.533 1731 HA SER 109 HA SER 109 -7.938 9.387 -9.582 1732 1HB SER 109 1HB SER 109 -9.209 11.690 -9.716 1733 2HB SER 109 2HB SER 109 -8.382 11.242 -8.237 1734 HG SER 109 HG SER 109 -8.018 13.491 -9.282 1735 H VAL 110 H VAL 110 -9.351 8.961 -11.313 1736 HA VAL 110 HA VAL 110 -8.441 9.993 -13.896 1737 HB VAL 110 HB VAL 110 -9.876 7.520 -12.979 1738 1HG1 VAL 110 1HG1 VAL 110 -10.066 8.854 -15.656 1739 2HG1 VAL 110 2HG1 VAL 110 -9.959 7.079 -15.589 1740 3HG1 VAL 110 3HG1 VAL 110 -11.285 7.922 -14.753 1741 1HG2 VAL 110 1HG2 VAL 110 -7.656 6.984 -13.062 1742 2HG2 VAL 110 2HG2 VAL 110 -8.073 6.673 -14.764 1743 3HG2 VAL 110 3HG2 VAL 110 -7.290 8.205 -14.305 1744 H SER 111 H SER 111 -9.901 10.973 -15.360 1745 HA SER 111 HA SER 111 -11.937 12.424 -14.090 1746 1HB SER 111 1HB SER 111 -12.238 12.464 -16.964 1747 2HB SER 111 2HB SER 111 -11.657 13.735 -15.906 1748 HG SER 111 HG SER 111 -9.969 13.267 -17.323 1749 H LEU 112 H LEU 112 -14.011 11.765 -13.663 1750 HA LEU 112 HA LEU 112 -14.959 9.374 -15.028 1751 1HB LEU 112 1HB LEU 112 -16.296 10.796 -12.741 1752 2HB LEU 112 2HB LEU 112 -16.494 9.135 -13.263 1753 HG LEU 112 HG LEU 112 -13.927 10.230 -12.086 1754 1HD1 LEU 112 1HD1 LEU 112 -15.752 10.399 -10.454 1755 2HD1 LEU 112 2HD1 LEU 112 -16.122 8.674 -10.689 1756 3HD1 LEU 112 3HD1 LEU 112 -14.559 9.162 -9.990 1757 1HD2 LEU 112 1HD2 LEU 112 -13.205 8.347 -13.130 1758 2HD2 LEU 112 2HD2 LEU 112 -13.798 7.604 -11.625 1759 3HD2 LEU 112 3HD2 LEU 112 -14.806 7.570 -13.092 Start of MODEL 10 1 1H GLY 1 1H GLY 1 -33.038 13.264 8.144 2 1HA GLY 1 1HA GLY 1 -35.076 11.263 7.368 3 2HA GLY 1 2HA GLY 1 -33.987 12.056 6.248 4 H SER 2 H SER 2 -33.624 9.582 5.823 5 HA SER 2 HA SER 2 -32.105 8.213 7.764 6 1HB SER 2 1HB SER 2 -33.444 6.955 6.173 7 2HB SER 2 2HB SER 2 -32.643 7.709 4.809 8 HG SER 2 HG SER 2 -30.843 6.467 6.545 9 H HIS 3 H HIS 3 -29.833 7.855 7.844 10 HA HIS 3 HA HIS 3 -28.292 9.469 5.945 11 1HB HIS 3 1HB HIS 3 -28.146 9.331 8.938 12 2HB HIS 3 2HB HIS 3 -26.674 9.612 8.029 13 HD1 HIS 3 HD1 HIS 3 -27.637 11.836 9.857 14 HD2 HIS 3 HD2 HIS 3 -28.810 11.520 5.842 15 HE1 HIS 3 HE1 HIS 3 -28.362 14.175 9.137 16 HE2 HIS 3 HE2 HIS 3 -29.019 13.928 6.647 17 H MET 4 H MET 4 -25.799 8.718 6.198 18 HA MET 4 HA MET 4 -25.893 5.964 5.482 19 1HB MET 4 1HB MET 4 -24.025 8.275 5.292 20 2HB MET 4 2HB MET 4 -23.195 6.759 5.583 21 1HG MET 4 1HG MET 4 -23.364 6.378 3.344 22 2HG MET 4 2HG MET 4 -25.066 6.062 3.620 23 1HE MET 4 1HE MET 4 -25.172 8.273 0.433 24 2HE MET 4 2HE MET 4 -24.284 6.813 0.931 25 3HE MET 4 3HE MET 4 -26.024 6.956 1.275 26 H GLU 5 H GLU 5 -23.944 4.516 6.326 27 HA GLU 5 HA GLU 5 -24.444 3.988 8.961 28 1HB GLU 5 1HB GLU 5 -22.883 2.886 6.864 29 2HB GLU 5 2HB GLU 5 -21.763 3.120 8.192 30 1HG GLU 5 1HG GLU 5 -22.690 0.943 8.542 31 2HG GLU 5 2HG GLU 5 -23.497 1.971 9.709 32 H GLU 6 H GLU 6 -22.550 3.852 10.704 33 HA GLU 6 HA GLU 6 -21.536 6.563 10.871 34 1HB GLU 6 1HB GLU 6 -22.726 4.739 12.746 35 2HB GLU 6 2HB GLU 6 -21.088 5.049 13.288 36 1HG GLU 6 1HG GLU 6 -21.449 7.430 13.374 37 2HG GLU 6 2HG GLU 6 -22.929 7.321 12.441 38 H ALA 7 H ALA 7 -19.391 6.987 10.551 39 HA ALA 7 HA ALA 7 -17.349 5.307 11.473 40 1HB ALA 7 1HB ALA 7 -16.949 5.206 8.608 41 2HB ALA 7 2HB ALA 7 -17.000 3.869 9.783 42 3HB ALA 7 3HB ALA 7 -18.504 4.448 9.027 43 H LYS 8 H LYS 8 -15.153 6.078 10.302 44 HA LYS 8 HA LYS 8 -15.392 8.990 10.215 45 1HB LYS 8 1HB LYS 8 -13.623 7.198 11.537 46 2HB LYS 8 2HB LYS 8 -12.677 8.052 10.335 47 1HG LYS 8 1HG LYS 8 -12.565 9.567 12.107 48 2HG LYS 8 2HG LYS 8 -13.955 10.196 11.246 49 1HD LYS 8 1HD LYS 8 -15.460 9.502 12.866 50 2HD LYS 8 2HD LYS 8 -14.543 8.062 13.261 51 1HE LYS 8 1HE LYS 8 -13.101 9.207 14.733 52 2HE LYS 8 2HE LYS 8 -13.348 10.753 13.944 53 1HZ LYS 8 1HZ LYS 8 -15.171 11.134 15.144 54 2HZ LYS 8 2HZ LYS 8 -15.708 9.593 15.086 55 3HZ LYS 8 3HZ LYS 8 -14.566 10.018 16.172 56 H GLY 9 H GLY 9 -13.261 6.474 8.679 57 1HA GLY 9 1HA GLY 9 -12.432 6.333 6.594 58 2HA GLY 9 2HA GLY 9 -14.014 6.866 6.060 59 HA PRO 10 HA PRO 10 -13.130 6.869 4.242 60 1HB PRO 10 1HB PRO 10 -11.462 7.164 2.098 61 2HB PRO 10 2HB PRO 10 -13.042 7.915 2.193 62 1HG PRO 10 1HG PRO 10 -10.378 9.154 2.517 63 2HG PRO 10 2HG PRO 10 -11.915 9.928 2.187 64 1HD PRO 10 1HD PRO 10 -10.538 9.850 4.702 65 2HD PRO 10 2HD PRO 10 -12.128 10.522 4.397 66 H VAL 11 H VAL 11 -12.257 4.789 3.515 67 HA VAL 11 HA VAL 11 -9.891 4.249 5.149 68 HB VAL 11 HB VAL 11 -12.357 3.021 4.973 69 1HG1 VAL 11 1HG1 VAL 11 -11.502 2.100 2.732 70 2HG1 VAL 11 2HG1 VAL 11 -10.399 1.098 3.706 71 3HG1 VAL 11 3HG1 VAL 11 -12.160 0.932 3.903 72 1HG2 VAL 11 1HG2 VAL 11 -11.107 1.131 6.239 73 2HG2 VAL 11 2HG2 VAL 11 -9.677 2.176 6.066 74 3HG2 VAL 11 3HG2 VAL 11 -11.113 2.770 6.933 75 H LYS 12 H LYS 12 -8.030 3.297 4.271 76 HA LYS 12 HA LYS 12 -7.917 3.465 1.353 77 1HB LYS 12 1HB LYS 12 -5.720 3.492 3.445 78 2HB LYS 12 2HB LYS 12 -5.454 3.549 1.714 79 1HG LYS 12 1HG LYS 12 -7.403 5.554 2.231 80 2HG LYS 12 2HG LYS 12 -6.236 5.705 3.530 81 1HD LYS 12 1HD LYS 12 -4.407 5.611 1.686 82 2HD LYS 12 2HD LYS 12 -5.707 5.843 0.534 83 1HE LYS 12 1HE LYS 12 -5.191 7.719 2.889 84 2HE LYS 12 2HE LYS 12 -4.546 7.987 1.282 85 1HZ LYS 12 1HZ LYS 12 -7.164 7.526 0.847 86 2HZ LYS 12 2HZ LYS 12 -7.186 8.385 2.235 87 3HZ LYS 12 3HZ LYS 12 -6.460 8.998 0.907 88 H HIS 13 H HIS 13 -7.510 1.690 0.082 89 HA HIS 13 HA HIS 13 -7.016 -0.803 1.541 90 1HB HIS 13 1HB HIS 13 -9.355 -0.639 0.768 91 2HB HIS 13 2HB HIS 13 -8.800 -0.406 -0.878 92 HD1 HIS 13 HD1 HIS 13 -9.764 -3.012 1.485 93 HD2 HIS 13 HD2 HIS 13 -7.290 -2.769 -1.893 94 HE1 HIS 13 HE1 HIS 13 -9.392 -5.410 0.698 95 HE2 HIS 13 HE2 HIS 13 -7.910 -5.193 -1.412 96 H VAL 14 H VAL 14 -5.302 -2.014 0.831 97 HA VAL 14 HA VAL 14 -3.967 -1.008 -1.580 98 HB VAL 14 HB VAL 14 -2.946 -2.422 0.885 99 1HG1 VAL 14 1HG1 VAL 14 -1.928 -2.734 -1.686 100 2HG1 VAL 14 2HG1 VAL 14 -0.907 -1.462 -0.973 101 3HG1 VAL 14 3HG1 VAL 14 -1.064 -3.038 -0.160 102 1HG2 VAL 14 1HG2 VAL 14 -3.403 0.265 0.429 103 2HG2 VAL 14 2HG2 VAL 14 -2.284 -0.412 1.635 104 3HG2 VAL 14 3HG2 VAL 14 -1.676 0.085 0.038 105 H LEU 15 H LEU 15 -4.167 -2.237 -3.372 106 HA LEU 15 HA LEU 15 -4.362 -5.133 -2.977 107 1HB LEU 15 1HB LEU 15 -6.611 -4.288 -3.320 108 2HB LEU 15 2HB LEU 15 -6.107 -3.442 -4.769 109 HG LEU 15 HG LEU 15 -5.369 -6.116 -5.209 110 1HD1 LEU 15 1HD1 LEU 15 -6.641 -7.291 -3.776 111 2HD1 LEU 15 2HD1 LEU 15 -7.751 -5.932 -3.475 112 3HD1 LEU 15 3HD1 LEU 15 -7.944 -6.932 -4.934 113 1HD2 LEU 15 1HD2 LEU 15 -7.715 -5.789 -6.605 114 2HD2 LEU 15 2HD2 LEU 15 -7.198 -4.111 -6.315 115 3HD2 LEU 15 3HD2 LEU 15 -6.103 -5.250 -7.133 116 H LEU 16 H LEU 16 -3.409 -6.400 -4.655 117 HA LEU 16 HA LEU 16 -1.870 -4.824 -6.592 118 1HB LEU 16 1HB LEU 16 -0.259 -5.337 -5.002 119 2HB LEU 16 2HB LEU 16 -0.927 -6.924 -4.675 120 HG LEU 16 HG LEU 16 -0.235 -7.394 -7.185 121 1HD1 LEU 16 1HD1 LEU 16 0.721 -5.613 -8.146 122 2HD1 LEU 16 2HD1 LEU 16 1.053 -4.822 -6.586 123 3HD1 LEU 16 3HD1 LEU 16 2.161 -6.069 -7.205 124 1HD2 LEU 16 1HD2 LEU 16 1.958 -7.289 -5.115 125 2HD2 LEU 16 2HD2 LEU 16 0.598 -8.432 -5.005 126 3HD2 LEU 16 3HD2 LEU 16 1.693 -8.484 -6.407 127 H ALA 17 H ALA 17 -1.477 -5.879 -8.626 128 HA ALA 17 HA ALA 17 -2.667 -8.468 -9.047 129 1HB ALA 17 1HB ALA 17 -3.764 -6.075 -10.568 130 2HB ALA 17 2HB ALA 17 -4.337 -7.760 -10.617 131 3HB ALA 17 3HB ALA 17 -4.572 -6.782 -9.148 132 H SER 18 H SER 18 -1.779 -9.491 -10.866 133 HA SER 18 HA SER 18 0.066 -7.823 -12.386 134 1HB SER 18 1HB SER 18 0.569 -10.322 -10.852 135 2HB SER 18 2HB SER 18 1.246 -10.317 -12.468 136 HG SER 18 HG SER 18 2.805 -9.062 -11.736 137 H PHE 19 H PHE 19 0.237 -8.330 -14.642 138 HA PHE 19 HA PHE 19 -2.012 -9.871 -15.619 139 1HB PHE 19 1HB PHE 19 0.172 -8.106 -16.878 140 2HB PHE 19 2HB PHE 19 -1.108 -8.845 -17.819 141 HD1 PHE 19 HD1 PHE 19 -3.556 -8.314 -16.947 142 HD2 PHE 19 HD2 PHE 19 -0.133 -5.947 -16.120 143 HE1 PHE 19 HE1 PHE 19 -5.033 -6.336 -16.490 144 HE2 PHE 19 HE2 PHE 19 -1.610 -3.969 -15.664 145 HZ PHE 19 HZ PHE 19 -4.042 -4.188 -15.854 146 H LYS 20 H LYS 20 -1.781 -12.014 -16.033 147 HA LYS 20 HA LYS 20 0.624 -13.353 -16.001 148 1HB LYS 20 1HB LYS 20 -0.627 -15.238 -16.917 149 2HB LYS 20 2HB LYS 20 -1.539 -14.426 -15.661 150 1HG LYS 20 1HG LYS 20 -3.185 -13.751 -17.108 151 2HG LYS 20 2HG LYS 20 -2.043 -13.320 -18.365 152 1HD LYS 20 1HD LYS 20 -3.049 -15.155 -19.378 153 2HD LYS 20 2HD LYS 20 -1.727 -15.966 -18.563 154 1HE LYS 20 1HE LYS 20 -3.933 -15.713 -16.699 155 2HE LYS 20 2HE LYS 20 -4.549 -16.378 -18.198 156 1HZ LYS 20 1HZ LYS 20 -2.790 -18.027 -18.105 157 2HZ LYS 20 2HZ LYS 20 -2.253 -17.418 -16.687 158 3HZ LYS 20 3HZ LYS 20 -3.735 -18.101 -16.775 159 H ASP 21 H ASP 21 1.273 -14.819 -18.068 160 HA ASP 21 HA ASP 21 2.071 -12.840 -19.993 161 1HB ASP 21 1HB ASP 21 3.420 -14.899 -18.845 162 2HB ASP 21 2HB ASP 21 2.819 -15.743 -20.258 163 H GLY 22 H GLY 22 1.010 -12.650 -21.978 164 1HA GLY 22 1HA GLY 22 0.249 -13.796 -23.961 165 2HA GLY 22 2HA GLY 22 -0.525 -14.989 -22.937 166 H VAL 23 H VAL 23 -0.564 -11.559 -22.016 167 HA VAL 23 HA VAL 23 -3.452 -11.577 -22.462 168 HB VAL 23 HB VAL 23 -1.730 -9.711 -20.820 169 1HG1 VAL 23 1HG1 VAL 23 -3.661 -8.718 -20.029 170 2HG1 VAL 23 2HG1 VAL 23 -4.114 -9.052 -21.718 171 3HG1 VAL 23 3HG1 VAL 23 -4.677 -10.128 -20.416 172 1HG2 VAL 23 1HG2 VAL 23 -2.219 -10.974 -18.897 173 2HG2 VAL 23 2HG2 VAL 23 -3.495 -11.904 -19.720 174 3HG2 VAL 23 3HG2 VAL 23 -1.785 -12.188 -20.124 175 H SER 24 H SER 24 -4.475 -10.082 -23.793 176 HA SER 24 HA SER 24 -2.811 -8.930 -25.762 177 1HB SER 24 1HB SER 24 -5.808 -8.652 -25.261 178 2HB SER 24 2HB SER 24 -4.986 -8.089 -26.703 179 HG SER 24 HG SER 24 -4.668 -10.151 -27.403 180 HA PRO 25 HA PRO 25 -2.508 -4.906 -24.135 181 1HB PRO 25 1HB PRO 25 -2.334 -3.357 -26.380 182 2HB PRO 25 2HB PRO 25 -0.983 -4.268 -25.737 183 1HG PRO 25 1HG PRO 25 -2.655 -4.853 -28.104 184 2HG PRO 25 2HG PRO 25 -1.074 -5.487 -27.693 185 1HD PRO 25 1HD PRO 25 -3.588 -6.844 -27.435 186 2HD PRO 25 2HD PRO 25 -2.020 -7.433 -26.918 187 H GLU 26 H GLU 26 -4.967 -5.263 -26.600 188 HA GLU 26 HA GLU 26 -6.311 -2.926 -25.867 189 1HB GLU 26 1HB GLU 26 -8.156 -3.826 -27.243 190 2HB GLU 26 2HB GLU 26 -6.616 -4.018 -28.057 191 1HG GLU 26 1HG GLU 26 -6.498 -6.376 -27.458 192 2HG GLU 26 2HG GLU 26 -7.862 -6.231 -26.367 193 H LYS 27 H LYS 27 -6.401 -6.310 -24.727 194 HA LYS 27 HA LYS 27 -8.813 -6.125 -23.309 195 1HB LYS 27 1HB LYS 27 -7.673 -8.232 -23.983 196 2HB LYS 27 2HB LYS 27 -6.423 -7.920 -22.796 197 1HG LYS 27 1HG LYS 27 -7.796 -8.425 -21.001 198 2HG LYS 27 2HG LYS 27 -9.228 -7.766 -21.767 199 1HD LYS 27 1HD LYS 27 -8.741 -9.899 -23.426 200 2HD LYS 27 2HD LYS 27 -8.088 -10.527 -21.925 201 1HE LYS 27 1HE LYS 27 -10.289 -9.830 -20.796 202 2HE LYS 27 2HE LYS 27 -10.917 -9.480 -22.395 203 1HZ LYS 27 1HZ LYS 27 -9.918 -12.082 -21.466 204 2HZ LYS 27 2HZ LYS 27 -11.474 -11.691 -21.772 205 3HZ LYS 27 3HZ LYS 27 -10.397 -11.775 -22.997 206 H ILE 28 H ILE 28 -5.428 -5.244 -22.552 207 HA ILE 28 HA ILE 28 -6.035 -4.731 -19.801 208 HB ILE 28 HB ILE 28 -3.623 -4.068 -21.494 209 1HG1 ILE 28 1HG1 ILE 28 -3.654 -6.232 -19.432 210 2HG1 ILE 28 2HG1 ILE 28 -4.444 -6.551 -20.963 211 1HG2 ILE 28 1HG2 ILE 28 -2.576 -4.051 -19.095 212 2HG2 ILE 28 2HG2 ILE 28 -3.391 -2.603 -19.733 213 3HG2 ILE 28 3HG2 ILE 28 -4.238 -3.668 -18.586 214 1HD1 ILE 28 1HD1 ILE 28 -2.360 -7.113 -21.701 215 2HD1 ILE 28 2HD1 ILE 28 -2.080 -5.358 -21.795 216 3HD1 ILE 28 3HD1 ILE 28 -1.561 -6.267 -20.355 217 H GLU 29 H GLU 29 -6.024 -2.959 -22.876 218 HA GLU 29 HA GLU 29 -5.963 -0.410 -21.742 219 1HB GLU 29 1HB GLU 29 -5.956 -1.505 -24.322 220 2HB GLU 29 2HB GLU 29 -7.464 -0.615 -24.268 221 1HG GLU 29 1HG GLU 29 -5.451 1.024 -23.016 222 2HG GLU 29 2HG GLU 29 -4.778 0.421 -24.518 223 H GLU 30 H GLU 30 -8.660 -2.588 -22.786 224 HA GLU 30 HA GLU 30 -10.645 -0.722 -22.112 225 1HB GLU 30 1HB GLU 30 -12.185 -2.401 -22.730 226 2HB GLU 30 2HB GLU 30 -10.778 -2.761 -23.710 227 1HG GLU 30 1HG GLU 30 -10.042 -4.389 -21.859 228 2HG GLU 30 2HG GLU 30 -11.611 -4.142 -21.120 229 H LEU 31 H LEU 31 -8.756 -3.097 -20.319 230 HA LEU 31 HA LEU 31 -10.527 -3.501 -18.186 231 1HB LEU 31 1HB LEU 31 -7.957 -4.332 -18.979 232 2HB LEU 31 2HB LEU 31 -7.757 -3.604 -17.397 233 HG LEU 31 HG LEU 31 -9.696 -5.835 -18.071 234 1HD1 LEU 31 1HD1 LEU 31 -7.589 -6.437 -16.151 235 2HD1 LEU 31 2HD1 LEU 31 -8.115 -7.329 -17.599 236 3HD1 LEU 31 3HD1 LEU 31 -6.945 -5.997 -17.751 237 1HD2 LEU 31 1HD2 LEU 31 -8.970 -4.933 -15.293 238 2HD2 LEU 31 2HD2 LEU 31 -10.294 -4.161 -16.198 239 3HD2 LEU 31 3HD2 LEU 31 -10.357 -5.904 -15.842 240 H ILE 32 H ILE 32 -7.810 -1.152 -18.675 241 HA ILE 32 HA ILE 32 -8.352 0.132 -16.187 242 HB ILE 32 HB ILE 32 -6.629 0.900 -18.544 243 1HG1 ILE 32 1HG1 ILE 32 -5.861 -0.321 -15.878 244 2HG1 ILE 32 2HG1 ILE 32 -6.031 -1.223 -17.371 245 1HG2 ILE 32 1HG2 ILE 32 -6.127 2.046 -15.853 246 2HG2 ILE 32 2HG2 ILE 32 -5.906 2.755 -17.471 247 3HG2 ILE 32 3HG2 ILE 32 -7.530 2.682 -16.746 248 1HD1 ILE 32 1HD1 ILE 32 -4.109 -0.323 -18.310 249 2HD1 ILE 32 2HD1 ILE 32 -4.288 1.225 -17.451 250 3HD1 ILE 32 3HD1 ILE 32 -3.667 -0.203 -16.590 251 H LYS 33 H LYS 33 -8.854 0.980 -19.680 252 HA LYS 33 HA LYS 33 -10.100 3.404 -19.235 253 1HB LYS 33 1HB LYS 33 -9.301 2.753 -21.413 254 2HB LYS 33 2HB LYS 33 -10.396 1.386 -21.474 255 1HG LYS 33 1HG LYS 33 -12.077 3.594 -20.938 256 2HG LYS 33 2HG LYS 33 -10.914 4.212 -22.095 257 1HD LYS 33 1HD LYS 33 -12.759 3.275 -23.358 258 2HD LYS 33 2HD LYS 33 -11.386 2.206 -23.570 259 1HE LYS 33 1HE LYS 33 -13.014 0.628 -23.051 260 2HE LYS 33 2HE LYS 33 -12.422 0.964 -21.436 261 1HZ LYS 33 1HZ LYS 33 -14.196 2.660 -21.291 262 2HZ LYS 33 2HZ LYS 33 -14.799 2.121 -22.710 263 3HZ LYS 33 3HZ LYS 33 -14.754 1.130 -21.413 264 H GLY 34 H GLY 34 -11.322 0.061 -19.003 265 1HA GLY 34 1HA GLY 34 -14.082 0.818 -18.856 266 2HA GLY 34 2HA GLY 34 -13.377 -0.748 -18.504 267 H TYR 35 H TYR 35 -11.565 -0.259 -16.459 268 HA TYR 35 HA TYR 35 -12.958 -0.391 -14.192 269 1HB TYR 35 1HB TYR 35 -10.268 0.308 -15.130 270 2HB TYR 35 2HB TYR 35 -10.639 1.307 -13.739 271 HD1 TYR 35 HD1 TYR 35 -9.008 -1.560 -14.615 272 HD2 TYR 35 HD2 TYR 35 -11.968 -0.245 -11.819 273 HE1 TYR 35 HE1 TYR 35 -8.411 -3.485 -13.065 274 HE2 TYR 35 HE2 TYR 35 -11.360 -2.174 -10.279 275 HH TYR 35 HH TYR 35 -8.989 -3.596 -10.026 276 H ALA 36 H ALA 36 -11.821 2.695 -15.716 277 HA ALA 36 HA ALA 36 -12.845 4.341 -13.683 278 1HB ALA 36 1HB ALA 36 -11.812 4.649 -16.479 279 2HB ALA 36 2HB ALA 36 -12.740 6.000 -15.785 280 3HB ALA 36 3HB ALA 36 -11.268 5.420 -14.970 281 H ASN 37 H ASN 37 -14.157 3.213 -16.861 282 HA ASN 37 HA ASN 37 -16.457 4.709 -16.782 283 1HB ASN 37 1HB ASN 37 -15.616 3.377 -18.757 284 2HB ASN 37 2HB ASN 37 -16.065 1.896 -17.936 285 1HD2 ASN 37 1HD2 ASN 37 -17.397 1.460 -19.755 286 2HD2 ASN 37 2HD2 ASN 37 -18.975 2.156 -19.908 287 H LEU 38 H LEU 38 -15.618 1.450 -15.461 288 HA LEU 38 HA LEU 38 -18.232 0.813 -14.616 289 1HB LEU 38 1HB LEU 38 -16.173 -0.683 -15.050 290 2HB LEU 38 2HB LEU 38 -15.701 -0.273 -13.413 291 HG LEU 38 HG LEU 38 -18.172 -1.072 -12.853 292 1HD1 LEU 38 1HD1 LEU 38 -17.558 -2.784 -15.270 293 2HD1 LEU 38 2HD1 LEU 38 -19.013 -2.804 -14.245 294 3HD1 LEU 38 3HD1 LEU 38 -18.684 -1.407 -15.298 295 1HD2 LEU 38 1HD2 LEU 38 -16.590 -3.467 -13.277 296 2HD2 LEU 38 2HD2 LEU 38 -15.607 -2.141 -12.611 297 3HD2 LEU 38 3HD2 LEU 38 -17.079 -2.670 -11.762 298 H VAL 39 H VAL 39 -15.474 2.572 -13.169 299 HA VAL 39 HA VAL 39 -16.517 2.628 -10.556 300 HB VAL 39 HB VAL 39 -14.529 4.329 -12.060 301 1HG1 VAL 39 1HG1 VAL 39 -15.863 4.975 -9.614 302 2HG1 VAL 39 2HG1 VAL 39 -14.170 4.571 -9.239 303 3HG1 VAL 39 3HG1 VAL 39 -14.539 5.845 -10.426 304 1HG2 VAL 39 1HG2 VAL 39 -12.922 2.912 -11.323 305 2HG2 VAL 39 2HG2 VAL 39 -13.729 2.634 -9.761 306 3HG2 VAL 39 3HG2 VAL 39 -14.279 1.765 -11.214 307 H ASN 40 H ASN 40 -16.970 4.645 -13.479 308 HA ASN 40 HA ASN 40 -18.205 6.763 -12.189 309 1HB ASN 40 1HB ASN 40 -17.379 6.885 -14.531 310 2HB ASN 40 2HB ASN 40 -18.548 5.681 -15.035 311 1HD2 ASN 40 1HD2 ASN 40 -20.621 6.221 -15.431 312 2HD2 ASN 40 2HD2 ASN 40 -21.257 7.831 -15.382 313 H LEU 41 H LEU 41 -19.270 3.542 -13.257 314 HA LEU 41 HA LEU 41 -22.068 4.179 -13.071 315 1HB LEU 41 1HB LEU 41 -20.434 2.117 -14.187 316 2HB LEU 41 2HB LEU 41 -21.592 1.378 -13.099 317 HG LEU 41 HG LEU 41 -22.446 1.424 -15.370 318 1HD1 LEU 41 1HD1 LEU 41 -24.594 1.966 -14.830 319 2HD1 LEU 41 2HD1 LEU 41 -23.876 1.958 -13.201 320 3HD1 LEU 41 3HD1 LEU 41 -24.137 3.500 -14.051 321 1HD2 LEU 41 1HD2 LEU 41 -22.870 4.323 -15.552 322 2HD2 LEU 41 2HD2 LEU 41 -21.160 3.835 -15.627 323 3HD2 LEU 41 3HD2 LEU 41 -22.331 3.155 -16.782 324 H ILE 42 H ILE 42 -19.962 1.759 -11.355 325 HA ILE 42 HA ILE 42 -21.604 1.111 -9.339 326 HB ILE 42 HB ILE 42 -18.626 1.566 -9.323 327 1HG1 ILE 42 1HG1 ILE 42 -20.060 -1.081 -9.310 328 2HG1 ILE 42 2HG1 ILE 42 -19.847 -0.200 -10.809 329 1HG2 ILE 42 1HG2 ILE 42 -18.446 0.409 -7.255 330 2HG2 ILE 42 2HG2 ILE 42 -19.628 1.719 -7.018 331 3HG2 ILE 42 3HG2 ILE 42 -20.188 0.042 -7.229 332 1HD1 ILE 42 1HD1 ILE 42 -17.962 -1.891 -9.597 333 2HD1 ILE 42 2HD1 ILE 42 -17.648 -0.754 -10.930 334 3HD1 ILE 42 3HD1 ILE 42 -17.361 -0.253 -9.247 335 H GLU 43 H GLU 43 -22.944 2.414 -8.199 336 HA GLU 43 HA GLU 43 -22.451 5.090 -7.765 337 1HB GLU 43 1HB GLU 43 -24.465 3.113 -7.038 338 2HB GLU 43 2HB GLU 43 -24.169 4.187 -5.686 339 1HG GLU 43 1HG GLU 43 -25.018 6.034 -6.780 340 2HG GLU 43 2HG GLU 43 -24.372 5.546 -8.334 341 HA PRO 44 HA PRO 44 -20.916 3.797 -3.469 342 1HB PRO 44 1HB PRO 44 -20.532 1.156 -2.880 343 2HB PRO 44 2HB PRO 44 -21.994 2.028 -2.464 344 1HG PRO 44 1HG PRO 44 -21.565 0.051 -4.619 345 2HG PRO 44 2HG PRO 44 -23.074 0.604 -3.922 346 1HD PRO 44 1HD PRO 44 -21.965 1.382 -6.450 347 2HD PRO 44 2HD PRO 44 -23.414 2.021 -5.700 348 H MET 45 H MET 45 -19.183 4.912 -4.516 349 HA MET 45 HA MET 45 -16.810 3.489 -4.165 350 1HB MET 45 1HB MET 45 -18.081 3.274 -6.783 351 2HB MET 45 2HB MET 45 -16.599 4.193 -6.959 352 1HG MET 45 1HG MET 45 -16.815 1.455 -5.613 353 2HG MET 45 2HG MET 45 -16.217 1.735 -7.237 354 1HE MET 45 1HE MET 45 -14.000 1.220 -7.468 355 2HE MET 45 2HE MET 45 -13.803 2.966 -7.758 356 3HE MET 45 3HE MET 45 -12.633 2.096 -6.737 357 H LYS 46 H LYS 46 -16.210 5.326 -2.951 358 HA LYS 46 HA LYS 46 -16.596 7.927 -3.501 359 1HB LYS 46 1HB LYS 46 -14.884 6.378 -1.828 360 2HB LYS 46 2HB LYS 46 -13.907 7.643 -2.547 361 1HG LYS 46 1HG LYS 46 -14.903 8.497 -0.483 362 2HG LYS 46 2HG LYS 46 -15.611 9.347 -1.843 363 1HD LYS 46 1HD LYS 46 -17.268 7.082 -1.501 364 2HD LYS 46 2HD LYS 46 -16.906 7.600 0.133 365 1HE LYS 46 1HE LYS 46 -18.223 9.203 -2.091 366 2HE LYS 46 2HE LYS 46 -18.865 8.829 -0.504 367 1HZ LYS 46 1HZ LYS 46 -18.013 10.733 0.152 368 2HZ LYS 46 2HZ LYS 46 -16.505 10.147 -0.073 369 3HZ LYS 46 3HZ LYS 46 -17.244 10.980 -1.268 370 H ALA 47 H ALA 47 -13.644 6.086 -4.569 371 HA ALA 47 HA ALA 47 -13.736 7.161 -7.163 372 1HB ALA 47 1HB ALA 47 -12.025 8.576 -5.108 373 2HB ALA 47 2HB ALA 47 -11.541 8.524 -6.820 374 3HB ALA 47 3HB ALA 47 -13.087 9.273 -6.354 375 H PHE 48 H PHE 48 -11.924 6.350 -8.474 376 HA PHE 48 HA PHE 48 -10.753 4.003 -7.190 377 1HB PHE 48 1HB PHE 48 -12.138 3.777 -9.288 378 2HB PHE 48 2HB PHE 48 -11.109 4.940 -10.101 379 HD1 PHE 48 HD1 PHE 48 -9.866 3.908 -11.736 380 HD2 PHE 48 HD2 PHE 48 -10.400 1.904 -8.034 381 HE1 PHE 48 HE1 PHE 48 -8.387 2.043 -12.532 382 HE2 PHE 48 HE2 PHE 48 -8.921 0.039 -8.830 383 HZ PHE 48 HZ PHE 48 -7.932 0.130 -11.070 384 H HIS 49 H HIS 49 -8.640 4.030 -6.601 385 HA HIS 49 HA HIS 49 -6.937 5.982 -7.971 386 1HB HIS 49 1HB HIS 49 -7.399 5.433 -5.156 387 2HB HIS 49 2HB HIS 49 -5.704 5.242 -5.558 388 HD1 HIS 49 HD1 HIS 49 -7.696 7.709 -4.184 389 HD2 HIS 49 HD2 HIS 49 -5.095 7.735 -7.475 390 HE1 HIS 49 HE1 HIS 49 -7.058 10.149 -4.571 391 HE2 HIS 49 HE2 HIS 49 -5.416 10.096 -6.570 392 H TRP 50 H TRP 50 -4.816 5.318 -8.606 393 HA TRP 50 HA TRP 50 -4.150 2.519 -8.209 394 1HB TRP 50 1HB TRP 50 -4.119 1.873 -10.411 395 2HB TRP 50 2HB TRP 50 -5.602 2.801 -10.311 396 HD1 TRP 50 HD1 TRP 50 -5.170 5.576 -11.144 397 HE1 TRP 50 HE1 TRP 50 -3.902 6.486 -13.272 398 HE3 TRP 50 HE3 TRP 50 -2.402 1.385 -11.936 399 HZ2 TRP 50 HZ2 TRP 50 -1.928 5.376 -15.008 400 HZ3 TRP 50 HZ3 TRP 50 -0.829 1.380 -13.869 401 HH2 TRP 50 HH2 TRP 50 -0.568 3.285 -15.378 402 H GLY 51 H GLY 51 -1.841 2.158 -9.172 403 1HA GLY 51 1HA GLY 51 -0.196 4.359 -9.785 404 2HA GLY 51 2HA GLY 51 -0.095 4.041 -8.065 405 H LYS 52 H LYS 52 1.671 3.545 -10.670 406 HA LYS 52 HA LYS 52 2.258 0.735 -10.044 407 1HB LYS 52 1HB LYS 52 3.089 0.488 -12.281 408 2HB LYS 52 2HB LYS 52 1.475 1.165 -12.360 409 1HG LYS 52 1HG LYS 52 2.216 3.231 -13.121 410 2HG LYS 52 2HG LYS 52 3.721 3.146 -12.228 411 1HD LYS 52 1HD LYS 52 4.321 2.932 -14.546 412 2HD LYS 52 2HD LYS 52 4.487 1.329 -13.859 413 1HE LYS 52 1HE LYS 52 2.951 0.495 -15.306 414 2HE LYS 52 2HE LYS 52 1.753 1.653 -14.765 415 1HZ LYS 52 1HZ LYS 52 2.062 2.806 -16.599 416 2HZ LYS 52 2HZ LYS 52 3.675 2.918 -16.373 417 3HZ LYS 52 3HZ LYS 52 3.048 1.636 -17.168 418 H ASP 53 H ASP 53 4.506 0.117 -9.850 419 HA ASP 53 HA ASP 53 5.967 1.558 -8.201 420 1HB ASP 53 1HB ASP 53 7.971 0.339 -9.042 421 2HB ASP 53 2HB ASP 53 6.578 -0.715 -8.898 422 H VAL 54 H VAL 54 7.633 3.204 -8.340 423 HA VAL 54 HA VAL 54 7.738 4.555 -10.948 424 HB VAL 54 HB VAL 54 8.111 6.603 -9.714 425 1HG1 VAL 54 1HG1 VAL 54 5.912 6.977 -9.125 426 2HG1 VAL 54 2HG1 VAL 54 5.748 5.488 -10.087 427 3HG1 VAL 54 3HG1 VAL 54 5.746 5.403 -8.309 428 1HG2 VAL 54 1HG2 VAL 54 9.167 6.343 -7.733 429 2HG2 VAL 54 2HG2 VAL 54 7.514 6.217 -7.084 430 3HG2 VAL 54 3HG2 VAL 54 8.446 4.742 -7.438 431 H SER 55 H SER 55 9.632 4.298 -12.000 432 HA SER 55 HA SER 55 11.697 3.613 -12.332 433 1HB SER 55 1HB SER 55 13.374 5.182 -11.517 434 2HB SER 55 2HB SER 55 11.902 6.063 -11.875 435 HG SER 55 HG SER 55 11.679 5.308 -9.312 436 H ILE 56 H ILE 56 11.229 1.439 -11.314 437 HA ILE 56 HA ILE 56 12.458 1.137 -8.681 438 HB ILE 56 HB ILE 56 10.120 0.303 -9.244 439 1HG1 ILE 56 1HG1 ILE 56 10.594 -1.917 -8.017 440 2HG1 ILE 56 2HG1 ILE 56 12.272 -1.409 -7.998 441 1HG2 ILE 56 1HG2 ILE 56 9.816 -1.667 -10.476 442 2HG2 ILE 56 2HG2 ILE 56 10.909 -0.677 -11.472 443 3HG2 ILE 56 3HG2 ILE 56 11.559 -2.026 -10.510 444 1HD1 ILE 56 1HD1 ILE 56 9.924 0.188 -6.873 445 2HD1 ILE 56 2HD1 ILE 56 11.133 -0.707 -5.922 446 3HD1 ILE 56 3HD1 ILE 56 11.623 0.719 -6.867 447 H GLU 57 H GLU 57 13.170 0.935 -12.017 448 HA GLU 57 HA GLU 57 14.926 0.245 -13.096 449 1HB GLU 57 1HB GLU 57 15.898 0.338 -10.345 450 2HB GLU 57 2HB GLU 57 16.699 -0.947 -11.227 451 1HG GLU 57 1HG GLU 57 16.459 1.513 -12.837 452 2HG GLU 57 2HG GLU 57 17.329 1.790 -11.342 453 H ASN 58 H ASN 58 15.221 -2.192 -10.435 454 HA ASN 58 HA ASN 58 13.768 -4.139 -11.836 455 1HB ASN 58 1HB ASN 58 16.163 -3.900 -13.024 456 2HB ASN 58 2HB ASN 58 16.717 -4.834 -11.649 457 1HD2 ASN 58 1HD2 ASN 58 14.721 -4.775 -14.500 458 2HD2 ASN 58 2HD2 ASN 58 14.423 -6.475 -14.637 459 H LEU 59 H LEU 59 13.143 -3.613 -9.396 460 HA LEU 59 HA LEU 59 14.712 -5.400 -7.671 461 1HB LEU 59 1HB LEU 59 13.272 -2.862 -6.889 462 2HB LEU 59 2HB LEU 59 14.079 -3.962 -5.789 463 HG LEU 59 HG LEU 59 15.644 -2.737 -8.038 464 1HD1 LEU 59 1HD1 LEU 59 14.192 -1.074 -6.463 465 2HD1 LEU 59 2HD1 LEU 59 15.676 -1.235 -5.494 466 3HD1 LEU 59 3HD1 LEU 59 15.770 -0.663 -7.176 467 1HD2 LEU 59 1HD2 LEU 59 16.689 -4.488 -6.700 468 2HD2 LEU 59 2HD2 LEU 59 17.489 -2.920 -6.434 469 3HD2 LEU 59 3HD2 LEU 59 16.366 -3.564 -5.213 470 H HIS 60 H HIS 60 11.487 -4.028 -8.517 471 HA HIS 60 HA HIS 60 9.882 -5.357 -6.834 472 1HB HIS 60 1HB HIS 60 8.147 -5.123 -8.438 473 2HB HIS 60 2HB HIS 60 9.221 -3.751 -8.628 474 HD1 HIS 60 HD1 HIS 60 7.843 -6.694 -10.439 475 HD2 HIS 60 HD2 HIS 60 10.843 -3.820 -11.020 476 HE1 HIS 60 HE1 HIS 60 8.490 -6.825 -12.904 477 HE2 HIS 60 HE2 HIS 60 10.298 -4.999 -13.213 478 H GLN 61 H GLN 61 8.759 -7.404 -6.809 479 HA GLN 61 HA GLN 61 10.429 -9.480 -7.920 480 1HB GLN 61 1HB GLN 61 8.889 -9.150 -5.512 481 2HB GLN 61 2HB GLN 61 8.235 -10.530 -6.371 482 1HG GLN 61 1HG GLN 61 9.972 -11.767 -5.602 483 2HG GLN 61 2HG GLN 61 11.044 -10.812 -6.606 484 1HE2 GLN 61 1HE2 GLN 61 11.778 -8.720 -5.716 485 2HE2 GLN 61 2HE2 GLN 61 12.150 -8.612 -4.028 486 H GLY 62 H GLY 62 7.637 -7.721 -8.745 487 1HA GLY 62 1HA GLY 62 6.889 -8.430 -11.038 488 2HA GLY 62 2HA GLY 62 6.532 -9.980 -10.301 489 H TYR 63 H TYR 63 6.081 -6.654 -8.937 490 HA TYR 63 HA TYR 63 3.399 -7.346 -8.175 491 1HB TYR 63 1HB TYR 63 5.432 -5.103 -7.911 492 2HB TYR 63 2HB TYR 63 3.754 -4.661 -7.662 493 HD1 TYR 63 HD1 TYR 63 6.356 -7.080 -6.491 494 HD2 TYR 63 HD2 TYR 63 2.746 -4.978 -5.566 495 HE1 TYR 63 HE1 TYR 63 6.491 -7.893 -4.086 496 HE2 TYR 63 HE2 TYR 63 2.893 -5.798 -3.164 497 HH TYR 63 HH TYR 63 5.554 -7.926 -2.145 498 H THR 64 H THR 64 5.027 -5.202 -10.572 499 HA THR 64 HA THR 64 4.245 -4.359 -12.491 500 HB THR 64 HB THR 64 1.481 -5.498 -11.917 501 HG1 THR 64 HG1 THR 64 2.567 -7.473 -12.919 502 1HG2 THR 64 1HG2 THR 64 1.261 -5.557 -14.235 503 2HG2 THR 64 2HG2 THR 64 2.423 -4.212 -14.132 504 3HG2 THR 64 3HG2 THR 64 2.997 -5.859 -14.488 505 H HIS 65 H HIS 65 1.670 -4.184 -9.940 506 HA HIS 65 HA HIS 65 2.048 -1.527 -9.406 507 1HB HIS 65 1HB HIS 65 -0.098 -0.668 -10.618 508 2HB HIS 65 2HB HIS 65 1.444 -0.690 -11.451 509 HD1 HIS 65 HD1 HIS 65 1.785 -2.522 -13.325 510 HD2 HIS 65 HD2 HIS 65 -2.061 -2.391 -11.655 511 HE1 HIS 65 HE1 HIS 65 0.283 -3.874 -14.883 512 HE2 HIS 65 HE2 HIS 65 -2.055 -3.803 -13.776 513 H ILE 66 H ILE 66 0.249 -0.636 -8.033 514 HA ILE 66 HA ILE 66 -1.442 -2.826 -7.045 515 HB ILE 66 HB ILE 66 -1.119 -2.079 -4.818 516 1HG1 ILE 66 1HG1 ILE 66 0.903 -0.131 -4.895 517 2HG1 ILE 66 2HG1 ILE 66 -0.271 0.392 -6.086 518 1HG2 ILE 66 1HG2 ILE 66 1.161 -2.813 -6.503 519 2HG2 ILE 66 2HG2 ILE 66 1.628 -2.010 -4.985 520 3HG2 ILE 66 3HG2 ILE 66 0.619 -3.475 -4.942 521 1HD1 ILE 66 1HD1 ILE 66 -1.925 -0.415 -4.017 522 2HD1 ILE 66 2HD1 ILE 66 -0.519 0.232 -3.137 523 3HD1 ILE 66 3HD1 ILE 66 -1.393 1.261 -4.297 524 H PHE 67 H PHE 67 -3.594 -2.323 -6.550 525 HA PHE 67 HA PHE 67 -4.390 0.370 -7.409 526 1HB PHE 67 1HB PHE 67 -5.750 -2.389 -7.468 527 2HB PHE 67 2HB PHE 67 -6.603 -0.913 -7.873 528 HD1 PHE 67 HD1 PHE 67 -4.765 -3.600 -9.172 529 HD2 PHE 67 HD2 PHE 67 -5.453 0.547 -9.754 530 HE1 PHE 67 HE1 PHE 67 -3.990 -3.805 -11.551 531 HE2 PHE 67 HE2 PHE 67 -4.678 0.342 -12.132 532 HZ PHE 67 HZ PHE 67 -3.956 -1.831 -13.003 533 H GLU 68 H GLU 68 -5.509 1.642 -5.981 534 HA GLU 68 HA GLU 68 -6.422 0.290 -3.561 535 1HB GLU 68 1HB GLU 68 -4.568 1.630 -2.894 536 2HB GLU 68 2HB GLU 68 -5.036 2.962 -3.931 537 1HG GLU 68 1HG GLU 68 -6.685 3.722 -2.464 538 2HG GLU 68 2HG GLU 68 -7.012 2.123 -1.825 539 H SER 69 H SER 69 -8.520 0.740 -2.843 540 HA SER 69 HA SER 69 -9.979 2.610 -4.542 541 1HB SER 69 1HB SER 69 -10.493 0.035 -4.620 542 2HB SER 69 2HB SER 69 -11.275 0.295 -3.073 543 HG SER 69 HG SER 69 -12.905 0.604 -4.546 544 H THR 70 H THR 70 -10.625 4.424 -3.445 545 HA THR 70 HA THR 70 -10.535 4.434 -0.564 546 HB THR 70 HB THR 70 -11.274 6.898 -1.107 547 HG1 THR 70 HG1 THR 70 -12.052 6.300 -3.267 548 1HG2 THR 70 1HG2 THR 70 -8.817 6.031 -0.799 549 2HG2 THR 70 2HG2 THR 70 -8.751 6.028 -2.578 550 3HG2 THR 70 3HG2 THR 70 -9.046 7.549 -1.700 551 H PHE 71 H PHE 71 -12.150 4.052 0.814 552 HA PHE 71 HA PHE 71 -14.862 4.181 -0.306 553 1HB PHE 71 1HB PHE 71 -13.583 2.326 1.792 554 2HB PHE 71 2HB PHE 71 -15.290 2.302 1.393 555 HD1 PHE 71 HD1 PHE 71 -12.320 0.661 0.843 556 HD2 PHE 71 HD2 PHE 71 -15.673 2.126 -1.306 557 HE1 PHE 71 HE1 PHE 71 -11.868 -0.993 -0.990 558 HE2 PHE 71 HE2 PHE 71 -15.221 0.472 -3.139 559 HZ PHE 71 HZ PHE 71 -13.324 -1.068 -2.959 560 H GLU 72 H GLU 72 -16.547 4.264 1.620 561 HA GLU 72 HA GLU 72 -15.652 6.471 3.252 562 1HB GLU 72 1HB GLU 72 -17.891 6.257 1.812 563 2HB GLU 72 2HB GLU 72 -18.492 5.452 3.248 564 1HG GLU 72 1HG GLU 72 -18.204 7.378 4.612 565 2HG GLU 72 2HG GLU 72 -17.051 8.107 3.512 566 H SER 73 H SER 73 -16.822 3.101 3.467 567 HA SER 73 HA SER 73 -15.735 2.911 6.070 568 1HB SER 73 1HB SER 73 -18.097 3.936 6.384 569 2HB SER 73 2HB SER 73 -18.723 2.382 5.869 570 HG SER 73 HG SER 73 -16.751 2.417 7.937 571 H LYS 74 H LYS 74 -16.426 0.531 6.973 572 HA LYS 74 HA LYS 74 -15.780 -1.236 4.798 573 1HB LYS 74 1HB LYS 74 -15.435 -2.888 6.520 574 2HB LYS 74 2HB LYS 74 -14.659 -1.390 6.992 575 1HG LYS 74 1HG LYS 74 -16.833 -0.849 8.299 576 2HG LYS 74 2HG LYS 74 -17.295 -2.517 8.025 577 1HD LYS 74 1HD LYS 74 -14.713 -1.624 9.396 578 2HD LYS 74 2HD LYS 74 -16.149 -2.182 10.233 579 1HE LYS 74 1HE LYS 74 -15.118 -4.232 10.115 580 2HE LYS 74 2HE LYS 74 -15.800 -4.272 8.501 581 1HZ LYS 74 1HZ LYS 74 -13.128 -4.224 9.216 582 2HZ LYS 74 2HZ LYS 74 -13.763 -4.282 7.712 583 3HZ LYS 74 3HZ LYS 74 -13.427 -2.840 8.402 584 H GLU 75 H GLU 75 -18.611 -0.201 6.627 585 HA GLU 75 HA GLU 75 -20.149 -2.481 6.028 586 1HB GLU 75 1HB GLU 75 -20.914 0.339 6.894 587 2HB GLU 75 2HB GLU 75 -22.076 -0.961 6.726 588 1HG GLU 75 1HG GLU 75 -20.265 -2.251 8.278 589 2HG GLU 75 2HG GLU 75 -19.896 -0.610 8.769 590 H ALA 76 H ALA 76 -19.480 0.640 4.427 591 HA ALA 76 HA ALA 76 -21.576 0.324 2.506 592 1HB ALA 76 1HB ALA 76 -20.209 2.254 1.422 593 2HB ALA 76 2HB ALA 76 -20.993 2.553 2.992 594 3HB ALA 76 3HB ALA 76 -19.248 2.211 2.919 595 H VAL 77 H VAL 77 -18.050 -0.335 2.729 596 HA VAL 77 HA VAL 77 -17.603 -0.884 0.048 597 HB VAL 77 HB VAL 77 -16.115 -0.747 2.288 598 1HG1 VAL 77 1HG1 VAL 77 -17.027 -3.150 2.791 599 2HG1 VAL 77 2HG1 VAL 77 -15.808 -3.659 1.597 600 3HG1 VAL 77 3HG1 VAL 77 -15.307 -2.779 3.061 601 1HG2 VAL 77 1HG2 VAL 77 -15.104 -2.336 -0.073 602 2HG2 VAL 77 2HG2 VAL 77 -15.511 -0.609 -0.219 603 3HG2 VAL 77 3HG2 VAL 77 -14.248 -1.132 0.920 604 H ALA 78 H ALA 78 -19.275 -2.702 2.576 605 HA ALA 78 HA ALA 78 -19.075 -5.252 1.465 606 1HB ALA 78 1HB ALA 78 -21.224 -5.607 2.802 607 2HB ALA 78 2HB ALA 78 -19.830 -4.984 3.717 608 3HB ALA 78 3HB ALA 78 -21.136 -3.880 3.224 609 H GLU 79 H GLU 79 -21.162 -2.440 0.740 610 HA GLU 79 HA GLU 79 -22.912 -3.938 -0.891 611 1HB GLU 79 1HB GLU 79 -22.884 -1.374 0.243 612 2HB GLU 79 2HB GLU 79 -22.764 -1.055 -1.476 613 1HG GLU 79 1HG GLU 79 -25.019 -1.343 -1.555 614 2HG GLU 79 2HG GLU 79 -24.706 -3.058 -1.378 615 H TYR 80 H TYR 80 -19.904 -2.063 -1.371 616 HA TYR 80 HA TYR 80 -20.046 -1.904 -4.172 617 1HB TYR 80 1HB TYR 80 -18.530 -0.531 -2.785 618 2HB TYR 80 2HB TYR 80 -17.851 -1.956 -2.022 619 HD1 TYR 80 HD1 TYR 80 -18.129 -0.282 -5.360 620 HD2 TYR 80 HD2 TYR 80 -15.853 -2.873 -2.828 621 HE1 TYR 80 HE1 TYR 80 -16.246 -0.308 -7.068 622 HE2 TYR 80 HE2 TYR 80 -13.977 -2.891 -4.545 623 HH TYR 80 HH TYR 80 -14.318 -2.132 -7.591 624 H ILE 81 H ILE 81 -18.557 -4.310 -1.917 625 HA ILE 81 HA ILE 81 -17.498 -5.854 -4.065 626 HB ILE 81 HB ILE 81 -17.892 -6.535 -1.149 627 1HG1 ILE 81 1HG1 ILE 81 -15.464 -5.382 -2.554 628 2HG1 ILE 81 2HG1 ILE 81 -16.550 -4.481 -1.516 629 1HG2 ILE 81 1HG2 ILE 81 -16.974 -8.522 -1.536 630 2HG2 ILE 81 2HG2 ILE 81 -17.210 -8.211 -3.273 631 3HG2 ILE 81 3HG2 ILE 81 -15.659 -7.805 -2.498 632 1HD1 ILE 81 1HD1 ILE 81 -15.842 -5.577 0.430 633 2HD1 ILE 81 2HD1 ILE 81 -15.325 -7.032 -0.457 634 3HD1 ILE 81 3HD1 ILE 81 -14.337 -5.553 -0.520 635 H ALA 82 H ALA 82 -20.609 -5.491 -2.544 636 HA ALA 82 HA ALA 82 -21.469 -8.127 -3.431 637 1HB ALA 82 1HB ALA 82 -22.082 -7.222 -1.172 638 2HB ALA 82 2HB ALA 82 -22.997 -5.929 -1.983 639 3HB ALA 82 3HB ALA 82 -23.492 -7.627 -2.180 640 H HIS 83 H HIS 83 -20.565 -6.313 -5.477 641 HA HIS 83 HA HIS 83 -23.130 -5.610 -6.707 642 1HB HIS 83 1HB HIS 83 -21.080 -3.917 -6.183 643 2HB HIS 83 2HB HIS 83 -20.611 -4.461 -7.781 644 HD1 HIS 83 HD1 HIS 83 -21.726 -3.325 -9.730 645 HD2 HIS 83 HD2 HIS 83 -23.828 -2.777 -6.142 646 HE1 HIS 83 HE1 HIS 83 -23.606 -1.679 -10.247 647 HE2 HIS 83 HE2 HIS 83 -24.895 -1.423 -8.019 648 HA PRO 84 HA PRO 84 -22.208 -8.691 -9.614 649 1HB PRO 84 1HB PRO 84 -24.085 -8.103 -11.511 650 2HB PRO 84 2HB PRO 84 -24.442 -9.024 -10.063 651 1HG PRO 84 1HG PRO 84 -25.123 -6.216 -10.688 652 2HG PRO 84 2HG PRO 84 -25.816 -7.268 -9.470 653 1HD PRO 84 1HD PRO 84 -23.928 -5.152 -9.038 654 2HD PRO 84 2HD PRO 84 -24.532 -6.279 -7.839 655 H ALA 85 H ALA 85 -22.409 -5.375 -10.689 656 HA ALA 85 HA ALA 85 -21.218 -5.732 -13.167 657 1HB ALA 85 1HB ALA 85 -21.448 -3.485 -13.238 658 2HB ALA 85 2HB ALA 85 -22.208 -3.636 -11.635 659 3HB ALA 85 3HB ALA 85 -20.474 -3.256 -11.766 660 H HIS 86 H HIS 86 -19.800 -5.262 -9.882 661 HA HIS 86 HA HIS 86 -17.148 -5.166 -10.870 662 1HB HIS 86 1HB HIS 86 -17.584 -4.067 -8.825 663 2HB HIS 86 2HB HIS 86 -18.386 -5.465 -8.136 664 HD1 HIS 86 HD1 HIS 86 -16.837 -7.475 -7.338 665 HD2 HIS 86 HD2 HIS 86 -14.803 -4.005 -8.530 666 HE1 HIS 86 HE1 HIS 86 -14.449 -7.714 -6.472 667 HE2 HIS 86 HE2 HIS 86 -13.233 -5.577 -7.282 668 H VAL 87 H VAL 87 -19.310 -7.711 -9.526 669 HA VAL 87 HA VAL 87 -17.419 -9.715 -9.268 670 HB VAL 87 HB VAL 87 -20.368 -9.537 -9.619 671 1HG1 VAL 87 1HG1 VAL 87 -20.205 -12.192 -9.316 672 2HG1 VAL 87 2HG1 VAL 87 -20.320 -11.417 -10.914 673 3HG1 VAL 87 3HG1 VAL 87 -18.737 -11.943 -10.292 674 1HG2 VAL 87 1HG2 VAL 87 -20.234 -10.940 -7.499 675 2HG2 VAL 87 2HG2 VAL 87 -18.473 -10.684 -7.555 676 3HG2 VAL 87 3HG2 VAL 87 -19.570 -9.291 -7.397 677 H GLU 88 H GLU 88 -19.367 -8.652 -12.115 678 HA GLU 88 HA GLU 88 -18.536 -10.714 -13.771 679 1HB GLU 88 1HB GLU 88 -20.353 -8.693 -13.968 680 2HB GLU 88 2HB GLU 88 -19.089 -8.036 -14.989 681 1HG GLU 88 1HG GLU 88 -19.399 -9.619 -16.627 682 2HG GLU 88 2HG GLU 88 -19.645 -10.916 -15.475 683 H PHE 89 H PHE 89 -17.127 -7.510 -12.978 684 HA PHE 89 HA PHE 89 -15.135 -7.659 -14.999 685 1HB PHE 89 1HB PHE 89 -16.244 -5.788 -13.199 686 2HB PHE 89 2HB PHE 89 -14.651 -6.057 -12.519 687 HD1 PHE 89 HD1 PHE 89 -16.380 -5.108 -15.667 688 HD2 PHE 89 HD2 PHE 89 -12.778 -4.984 -13.427 689 HE1 PHE 89 HE1 PHE 89 -15.399 -3.508 -17.333 690 HE2 PHE 89 HE2 PHE 89 -11.797 -3.384 -15.093 691 HZ PHE 89 HZ PHE 89 -13.119 -2.665 -17.026 692 H ALA 90 H ALA 90 -15.112 -8.064 -11.385 693 HA ALA 90 HA ALA 90 -12.427 -8.682 -11.156 694 1HB ALA 90 1HB ALA 90 -13.705 -10.145 -9.167 695 2HB ALA 90 2HB ALA 90 -13.234 -8.432 -9.060 696 3HB ALA 90 3HB ALA 90 -14.886 -8.871 -9.556 697 H THR 91 H THR 91 -15.291 -10.810 -11.754 698 HA THR 91 HA THR 91 -13.857 -13.222 -11.704 699 HB THR 91 HB THR 91 -16.466 -12.359 -13.058 700 HG1 THR 91 HG1 THR 91 -16.871 -12.362 -10.870 701 1HG2 THR 91 1HG2 THR 91 -16.105 -14.469 -14.060 702 2HG2 THR 91 2HG2 THR 91 -15.120 -15.053 -12.696 703 3HG2 THR 91 3HG2 THR 91 -16.889 -14.941 -12.533 704 H ILE 92 H ILE 92 -14.598 -10.915 -14.368 705 HA ILE 92 HA ILE 92 -13.550 -12.551 -16.390 706 HB ILE 92 HB ILE 92 -14.173 -9.635 -16.104 707 1HG1 ILE 92 1HG1 ILE 92 -15.265 -11.674 -18.053 708 2HG1 ILE 92 2HG1 ILE 92 -15.924 -11.466 -16.442 709 1HG2 ILE 92 1HG2 ILE 92 -12.221 -9.569 -17.476 710 2HG2 ILE 92 2HG2 ILE 92 -12.783 -10.949 -18.450 711 3HG2 ILE 92 3HG2 ILE 92 -13.636 -9.389 -18.541 712 1HD1 ILE 92 1HD1 ILE 92 -15.692 -8.836 -17.478 713 2HD1 ILE 92 2HD1 ILE 92 -16.331 -9.823 -18.814 714 3HD1 ILE 92 3HD1 ILE 92 -17.189 -9.773 -17.255 715 H PHE 93 H PHE 93 -12.105 -9.869 -14.427 716 HA PHE 93 HA PHE 93 -9.628 -9.864 -15.626 717 1HB PHE 93 1HB PHE 93 -10.637 -8.283 -13.872 718 2HB PHE 93 2HB PHE 93 -10.399 -9.530 -12.664 719 HD1 PHE 93 HD1 PHE 93 -7.997 -8.731 -15.359 720 HD2 PHE 93 HD2 PHE 93 -8.922 -8.354 -11.235 721 HE1 PHE 93 HE1 PHE 93 -5.683 -7.864 -14.919 722 HE2 PHE 93 HE2 PHE 93 -6.608 -7.487 -10.795 723 HZ PHE 93 HZ PHE 93 -5.016 -7.253 -12.642 724 H LEU 94 H LEU 94 -10.897 -11.915 -12.937 725 HA LEU 94 HA LEU 94 -8.484 -13.104 -12.254 726 1HB LEU 94 1HB LEU 94 -11.359 -13.963 -12.042 727 2HB LEU 94 2HB LEU 94 -10.052 -14.988 -11.482 728 HG LEU 94 HG LEU 94 -10.310 -12.146 -10.511 729 1HD1 LEU 94 1HD1 LEU 94 -11.394 -14.116 -8.666 730 2HD1 LEU 94 2HD1 LEU 94 -12.064 -12.558 -9.206 731 3HD1 LEU 94 3HD1 LEU 94 -12.330 -14.026 -10.177 732 1HD2 LEU 94 1HD2 LEU 94 -8.241 -13.688 -10.176 733 2HD2 LEU 94 2HD2 LEU 94 -8.877 -12.754 -8.800 734 3HD2 LEU 94 3HD2 LEU 94 -9.256 -14.487 -8.951 735 H GLY 95 H GLY 95 -10.603 -13.526 -15.039 736 1HA GLY 95 1HA GLY 95 -9.889 -16.108 -15.827 737 2HA GLY 95 2HA GLY 95 -10.436 -14.813 -16.873 738 H SER 96 H SER 96 -8.333 -12.895 -16.428 739 HA SER 96 HA SER 96 -6.048 -14.399 -17.439 740 1HB SER 96 1HB SER 96 -5.613 -12.157 -18.757 741 2HB SER 96 2HB SER 96 -6.747 -13.332 -19.391 742 HG SER 96 HG SER 96 -7.416 -10.950 -19.227 743 H LEU 97 H LEU 97 -6.088 -14.051 -14.773 744 HA LEU 97 HA LEU 97 -4.456 -11.648 -14.327 745 1HB LEU 97 1HB LEU 97 -6.434 -11.314 -13.132 746 2HB LEU 97 2HB LEU 97 -6.532 -12.988 -12.624 747 HG LEU 97 HG LEU 97 -4.192 -11.382 -11.683 748 1HD1 LEU 97 1HD1 LEU 97 -6.536 -10.129 -11.459 749 2HD1 LEU 97 2HD1 LEU 97 -6.670 -11.195 -10.040 750 3HD1 LEU 97 3HD1 LEU 97 -5.294 -10.075 -10.185 751 1HD2 LEU 97 1HD2 LEU 97 -5.771 -13.126 -9.880 752 2HD2 LEU 97 2HD2 LEU 97 -4.950 -13.930 -11.239 753 3HD2 LEU 97 3HD2 LEU 97 -4.010 -12.961 -10.079 754 H ASP 98 H ASP 98 -2.533 -11.883 -13.109 755 HA ASP 98 HA ASP 98 -1.530 -14.570 -13.219 756 1HB ASP 98 1HB ASP 98 -0.250 -12.483 -13.985 757 2HB ASP 98 2HB ASP 98 -0.119 -12.025 -12.299 758 H LYS 99 H LYS 99 -1.519 -11.806 -10.828 759 HA LYS 99 HA LYS 99 -2.037 -13.747 -8.708 760 1HB LYS 99 1HB LYS 99 0.279 -11.805 -8.814 761 2HB LYS 99 2HB LYS 99 -0.329 -12.455 -7.305 762 1HG LYS 99 1HG LYS 99 -0.018 -14.795 -8.265 763 2HG LYS 99 2HG LYS 99 0.742 -14.068 -9.666 764 1HD LYS 99 1HD LYS 99 1.712 -13.680 -6.795 765 2HD LYS 99 2HD LYS 99 2.384 -14.854 -7.909 766 1HE LYS 99 1HE LYS 99 2.418 -12.467 -9.393 767 2HE LYS 99 2HE LYS 99 2.824 -11.937 -7.773 768 1HZ LYS 99 1HZ LYS 99 4.744 -12.644 -9.068 769 2HZ LYS 99 2HZ LYS 99 4.575 -13.533 -7.709 770 3HZ LYS 99 3HZ LYS 99 4.153 -14.164 -9.155 771 H VAL 100 H VAL 100 -2.994 -12.761 -6.773 772 HA VAL 100 HA VAL 100 -3.820 -10.007 -7.016 773 HB VAL 100 HB VAL 100 -5.581 -10.776 -8.275 774 1HG1 VAL 100 1HG1 VAL 100 -6.704 -12.895 -8.061 775 2HG1 VAL 100 2HG1 VAL 100 -4.949 -13.192 -8.059 776 3HG1 VAL 100 3HG1 VAL 100 -5.863 -13.245 -6.532 777 1HG2 VAL 100 1HG2 VAL 100 -7.141 -11.429 -5.885 778 2HG2 VAL 100 2HG2 VAL 100 -6.128 -9.981 -5.675 779 3HG2 VAL 100 3HG2 VAL 100 -7.294 -10.064 -7.017 780 H LEU 101 H LEU 101 -3.608 -9.135 -5.023 781 HA LEU 101 HA LEU 101 -4.158 -10.886 -2.741 782 1HB LEU 101 1HB LEU 101 -1.803 -9.005 -2.871 783 2HB LEU 101 2HB LEU 101 -2.209 -10.126 -1.586 784 HG LEU 101 HG LEU 101 -0.383 -11.048 -2.796 785 1HD1 LEU 101 1HD1 LEU 101 -1.226 -13.093 -2.648 786 2HD1 LEU 101 2HD1 LEU 101 -2.853 -12.379 -2.547 787 3HD1 LEU 101 3HD1 LEU 101 -2.186 -12.854 -4.128 788 1HD2 LEU 101 1HD2 LEU 101 -1.484 -9.735 -5.014 789 2HD2 LEU 101 2HD2 LEU 101 0.011 -10.699 -4.952 790 3HD2 LEU 101 3HD2 LEU 101 -1.525 -11.468 -5.417 791 H VAL 102 H VAL 102 -5.622 -9.998 -1.383 792 HA VAL 102 HA VAL 102 -6.211 -7.164 -1.777 793 HB VAL 102 HB VAL 102 -7.761 -9.378 -0.417 794 1HG1 VAL 102 1HG1 VAL 102 -7.998 -6.606 -0.077 795 2HG1 VAL 102 2HG1 VAL 102 -9.294 -7.042 -1.217 796 3HG1 VAL 102 3HG1 VAL 102 -9.192 -7.850 0.366 797 1HG2 VAL 102 1HG2 VAL 102 -7.363 -9.083 -3.107 798 2HG2 VAL 102 2HG2 VAL 102 -8.801 -9.828 -2.368 799 3HG2 VAL 102 3HG2 VAL 102 -8.839 -8.118 -2.861 800 H ILE 103 H ILE 103 -5.629 -5.662 -0.287 801 HA ILE 103 HA ILE 103 -5.231 -6.537 2.455 802 HB ILE 103 HB ILE 103 -3.085 -5.193 0.809 803 1HG1 ILE 103 1HG1 ILE 103 -3.327 -7.650 0.477 804 2HG1 ILE 103 2HG1 ILE 103 -1.781 -7.167 1.146 805 1HG2 ILE 103 1HG2 ILE 103 -1.855 -5.666 3.122 806 2HG2 ILE 103 2HG2 ILE 103 -2.727 -4.149 2.797 807 3HG2 ILE 103 3HG2 ILE 103 -3.505 -5.437 3.749 808 1HD1 ILE 103 1HD1 ILE 103 -2.517 -7.782 3.417 809 2HD1 ILE 103 2HD1 ILE 103 -4.140 -8.177 2.802 810 3HD1 ILE 103 3HD1 ILE 103 -2.740 -9.160 2.313 811 H ASP 104 H ASP 104 -5.471 -4.826 3.988 812 HA ASP 104 HA ASP 104 -6.779 -2.531 2.784 813 1HB ASP 104 1HB ASP 104 -8.120 -3.800 4.415 814 2HB ASP 104 2HB ASP 104 -6.842 -3.688 5.609 815 H TYR 105 H TYR 105 -6.257 -0.351 3.694 816 HA TYR 105 HA TYR 105 -3.591 -0.295 4.941 817 1HB TYR 105 1HB TYR 105 -3.829 0.538 2.541 818 2HB TYR 105 2HB TYR 105 -5.091 1.636 3.062 819 HD1 TYR 105 HD1 TYR 105 -4.394 3.342 4.968 820 HD2 TYR 105 HD2 TYR 105 -1.636 1.315 2.401 821 HE1 TYR 105 HE1 TYR 105 -2.641 5.124 5.432 822 HE2 TYR 105 HE2 TYR 105 0.108 3.104 2.874 823 HH TYR 105 HH TYR 105 0.106 5.479 3.560 824 H LYS 106 H LYS 106 -3.767 0.226 7.067 825 HA LYS 106 HA LYS 106 -5.637 2.393 7.718 826 1HB LYS 106 1HB LYS 106 -5.765 -0.320 8.593 827 2HB LYS 106 2HB LYS 106 -5.290 0.654 9.970 828 1HG LYS 106 1HG LYS 106 -7.258 2.249 8.877 829 2HG LYS 106 2HG LYS 106 -7.849 0.660 8.434 830 1HD LYS 106 1HD LYS 106 -8.603 0.349 10.547 831 2HD LYS 106 2HD LYS 106 -6.961 0.459 11.149 832 1HE LYS 106 1HE LYS 106 -8.193 3.085 10.464 833 2HE LYS 106 2HE LYS 106 -8.987 2.237 11.775 834 1HZ LYS 106 1HZ LYS 106 -6.310 1.976 12.244 835 2HZ LYS 106 2HZ LYS 106 -6.496 3.530 11.776 836 3HZ LYS 106 3HZ LYS 106 -7.351 2.949 13.041 837 HA PRO 107 HA PRO 107 -1.861 4.027 9.170 838 1HB PRO 107 1HB PRO 107 -2.776 6.536 9.750 839 2HB PRO 107 2HB PRO 107 -2.242 6.057 8.152 840 1HG PRO 107 1HG PRO 107 -4.998 6.463 9.141 841 2HG PRO 107 2HG PRO 107 -4.422 6.406 7.486 842 1HD PRO 107 1HD PRO 107 -5.816 4.330 8.891 843 2HD PRO 107 2HD PRO 107 -5.139 4.232 7.277 844 H THR 108 H THR 108 -1.487 2.695 10.935 845 HA THR 108 HA THR 108 -2.839 3.623 13.373 846 HB THR 108 HB THR 108 -1.596 1.003 12.444 847 HG1 THR 108 HG1 THR 108 -4.073 2.061 13.599 848 1HG2 THR 108 1HG2 THR 108 -1.082 0.399 14.584 849 2HG2 THR 108 2HG2 THR 108 -1.459 2.049 15.134 850 3HG2 THR 108 3HG2 THR 108 -2.738 0.812 15.091 851 H SER 109 H SER 109 -1.512 5.553 13.517 852 HA SER 109 HA SER 109 1.290 5.151 13.825 853 1HB SER 109 1HB SER 109 -0.599 7.487 13.861 854 2HB SER 109 2HB SER 109 0.937 7.691 14.681 855 HG SER 109 HG SER 109 0.952 8.315 12.383 856 H VAL 110 H VAL 110 2.470 5.851 15.854 857 HA VAL 110 HA VAL 110 0.989 4.888 18.171 858 HB VAL 110 HB VAL 110 3.921 5.328 17.592 859 1HG1 VAL 110 1HG1 VAL 110 2.500 4.995 20.160 860 2HG1 VAL 110 2HG1 VAL 110 3.864 3.879 19.911 861 3HG1 VAL 110 3HG1 VAL 110 4.124 5.638 19.818 862 1HG2 VAL 110 1HG2 VAL 110 2.409 2.763 18.180 863 2HG2 VAL 110 2HG2 VAL 110 2.784 3.353 16.543 864 3HG2 VAL 110 3HG2 VAL 110 4.103 2.929 17.661 865 H SER 111 H SER 111 0.745 6.106 20.086 866 HA SER 111 HA SER 111 0.563 8.874 19.629 867 1HB SER 111 1HB SER 111 0.415 8.277 22.441 868 2HB SER 111 2HB SER 111 -0.888 8.694 21.346 869 HG SER 111 HG SER 111 -0.867 6.485 22.520 870 H LEU 112 H LEU 112 2.152 10.405 19.875 871 HA LEU 112 HA LEU 112 4.242 9.879 21.843 872 1HB LEU 112 1HB LEU 112 5.945 10.662 20.212 873 2HB LEU 112 2HB LEU 112 5.266 9.080 19.884 874 HG LEU 112 HG LEU 112 3.660 10.842 18.413 875 1HD1 LEU 112 1HD1 LEU 112 5.765 11.788 17.016 876 2HD1 LEU 112 2HD1 LEU 112 4.907 12.718 18.268 877 3HD1 LEU 112 3HD1 LEU 112 6.425 11.878 18.667 878 1HD2 LEU 112 1HD2 LEU 112 5.551 8.661 17.948 879 2HD2 LEU 112 2HD2 LEU 112 3.982 9.009 17.184 880 3HD2 LEU 112 3HD2 LEU 112 5.457 9.809 16.590 881 1H GLY 1 1H GLY 1 6.734 23.182 21.970 882 1HA GLY 1 1HA GLY 1 7.036 21.272 20.117 883 2HA GLY 1 2HA GLY 1 6.382 22.857 19.754 884 H SER 2 H SER 2 8.750 20.623 18.894 885 HA SER 2 HA SER 2 10.782 22.526 18.263 886 1HB SER 2 1HB SER 2 11.457 20.276 18.905 887 2HB SER 2 2HB SER 2 10.448 19.557 17.666 888 HG SER 2 HG SER 2 12.433 19.563 16.712 889 H HIS 3 H HIS 3 8.052 20.868 16.687 890 HA HIS 3 HA HIS 3 7.698 22.661 14.708 891 1HB HIS 3 1HB HIS 3 8.668 21.327 12.714 892 2HB HIS 3 2HB HIS 3 9.714 22.401 13.621 893 HD1 HIS 3 HD1 HIS 3 8.722 18.706 14.049 894 HD2 HIS 3 HD2 HIS 3 12.110 21.178 14.006 895 HE1 HIS 3 HE1 HIS 3 10.725 17.180 14.463 896 H MET 4 H MET 4 6.254 21.755 12.893 897 HA MET 4 HA MET 4 5.311 19.140 13.119 898 1HB MET 4 1HB MET 4 4.191 21.100 14.975 899 2HB MET 4 2HB MET 4 2.939 20.609 13.851 900 1HG MET 4 1HG MET 4 2.792 18.509 14.751 901 2HG MET 4 2HG MET 4 4.532 18.314 14.812 902 1HE MET 4 1HE MET 4 1.347 18.922 16.691 903 2HE MET 4 2HE MET 4 2.257 17.427 17.018 904 3HE MET 4 3HE MET 4 1.992 18.611 18.321 905 H GLU 5 H GLU 5 5.796 19.565 10.810 906 HA GLU 5 HA GLU 5 4.334 21.527 9.435 907 1HB GLU 5 1HB GLU 5 5.445 19.095 8.041 908 2HB GLU 5 2HB GLU 5 5.456 20.768 7.521 909 1HG GLU 5 1HG GLU 5 6.984 21.104 9.694 910 2HG GLU 5 2HG GLU 5 7.272 19.386 9.502 911 H GLU 6 H GLU 6 2.252 21.482 8.685 912 HA GLU 6 HA GLU 6 0.926 18.895 8.820 913 1HB GLU 6 1HB GLU 6 0.208 21.459 9.806 914 2HB GLU 6 2HB GLU 6 -0.872 21.164 8.458 915 1HG GLU 6 1HG GLU 6 -2.109 19.847 9.829 916 2HG GLU 6 2HG GLU 6 -0.792 18.691 9.816 917 H ALA 7 H ALA 7 0.669 17.870 6.887 918 HA ALA 7 HA ALA 7 -0.388 19.312 4.657 919 1HB ALA 7 1HB ALA 7 1.967 19.919 4.406 920 2HB ALA 7 2HB ALA 7 2.449 18.211 4.544 921 3HB ALA 7 3HB ALA 7 1.509 18.759 3.135 922 H LYS 8 H LYS 8 -0.952 17.794 2.868 923 HA LYS 8 HA LYS 8 -2.077 15.464 3.865 924 1HB LYS 8 1HB LYS 8 -1.733 16.761 1.231 925 2HB LYS 8 2HB LYS 8 -1.940 15.022 1.168 926 1HG LYS 8 1HG LYS 8 -4.160 15.900 1.105 927 2HG LYS 8 2HG LYS 8 -3.956 15.325 2.747 928 1HD LYS 8 1HD LYS 8 -3.048 17.885 3.055 929 2HD LYS 8 2HD LYS 8 -4.165 18.136 1.729 930 1HE LYS 8 1HE LYS 8 -5.939 18.006 3.137 931 2HE LYS 8 2HE LYS 8 -5.443 16.412 3.673 932 1HZ LYS 8 1HZ LYS 8 -5.373 17.751 5.544 933 2HZ LYS 8 2HZ LYS 8 -3.803 17.642 5.109 934 3HZ LYS 8 3HZ LYS 8 -4.649 19.000 4.782 935 H GLY 9 H GLY 9 0.120 15.116 1.076 936 1HA GLY 9 1HA GLY 9 1.438 12.909 2.517 937 2HA GLY 9 2HA GLY 9 1.289 13.080 0.780 938 HA PRO 10 HA PRO 10 1.311 14.873 -0.434 939 1HB PRO 10 1HB PRO 10 2.736 15.336 -2.719 940 2HB PRO 10 2HB PRO 10 2.104 16.619 -1.706 941 1HG PRO 10 1HG PRO 10 4.890 15.663 -1.965 942 2HG PRO 10 2HG PRO 10 4.306 17.179 -1.308 943 1HD PRO 10 1HD PRO 10 5.240 14.911 0.179 944 2HD PRO 10 2HD PRO 10 4.548 16.382 0.835 945 H VAL 11 H VAL 11 4.353 13.243 -1.138 946 HA VAL 11 HA VAL 11 2.823 11.160 -2.482 947 HB VAL 11 HB VAL 11 5.652 12.081 -2.412 948 1HG1 VAL 11 1HG1 VAL 11 5.876 9.743 -1.722 949 2HG1 VAL 11 2HG1 VAL 11 4.871 9.226 -3.097 950 3HG1 VAL 11 3HG1 VAL 11 6.462 9.969 -3.387 951 1HG2 VAL 11 1HG2 VAL 11 4.231 10.870 -4.767 952 2HG2 VAL 11 2HG2 VAL 11 3.774 12.497 -4.205 953 3HG2 VAL 11 3HG2 VAL 11 5.448 12.168 -4.714 954 H LYS 12 H LYS 12 2.677 9.032 -1.730 955 HA LYS 12 HA LYS 12 3.667 8.670 1.013 956 1HB LYS 12 1HB LYS 12 1.127 7.700 -0.317 957 2HB LYS 12 2HB LYS 12 1.725 7.032 1.188 958 1HG LYS 12 1HG LYS 12 0.480 8.708 2.140 959 2HG LYS 12 2HG LYS 12 1.885 9.695 1.789 960 1HD LYS 12 1HD LYS 12 0.887 10.719 -0.070 961 2HD LYS 12 2HD LYS 12 -0.165 9.356 -0.396 962 1HE LYS 12 1HE LYS 12 -0.952 10.225 2.173 963 2HE LYS 12 2HE LYS 12 -0.646 11.712 1.298 964 1HZ LYS 12 1HZ LYS 12 -2.272 9.544 0.178 965 2HZ LYS 12 2HZ LYS 12 -2.912 10.756 1.065 966 3HZ LYS 12 3HZ LYS 12 -2.165 11.086 -0.349 967 H HIS 13 H HIS 13 5.060 7.008 1.388 968 HA HIS 13 HA HIS 13 5.684 5.355 -0.921 969 1HB HIS 13 1HB HIS 13 7.605 6.412 -0.090 970 2HB HIS 13 2HB HIS 13 7.164 6.131 1.582 971 HD1 HIS 13 HD1 HIS 13 8.991 4.624 -1.275 972 HD2 HIS 13 HD2 HIS 13 7.587 3.406 2.485 973 HE1 HIS 13 HE1 HIS 13 10.178 2.428 -0.745 974 HE2 HIS 13 HE2 HIS 13 9.316 1.757 1.600 975 H VAL 14 H VAL 14 5.365 3.145 -0.969 976 HA VAL 14 HA VAL 14 4.102 2.027 1.438 977 HB VAL 14 HB VAL 14 3.732 1.348 -1.486 978 1HG1 VAL 14 1HG1 VAL 14 2.599 0.083 1.023 979 2HG1 VAL 14 2HG1 VAL 14 1.865 -0.118 -0.586 980 3HG1 VAL 14 3HG1 VAL 14 3.522 -0.695 -0.285 981 1HG2 VAL 14 1HG2 VAL 14 1.781 2.564 0.498 982 2HG2 VAL 14 2HG2 VAL 14 2.666 3.469 -0.753 983 3HG2 VAL 14 3HG2 VAL 14 1.483 2.225 -1.224 984 H LEU 15 H LEU 15 5.087 0.320 2.425 985 HA LEU 15 HA LEU 15 7.232 -0.992 0.908 986 1HB LEU 15 1HB LEU 15 7.761 0.730 2.864 987 2HB LEU 15 2HB LEU 15 7.450 -0.676 3.862 988 HG LEU 15 HG LEU 15 9.387 -0.838 1.561 989 1HD1 LEU 15 1HD1 LEU 15 9.757 1.096 3.386 990 2HD1 LEU 15 2HD1 LEU 15 10.487 -0.271 4.260 991 3HD1 LEU 15 3HD1 LEU 15 11.091 0.179 2.647 992 1HD2 LEU 15 1HD2 LEU 15 9.926 -2.284 4.058 993 2HD2 LEU 15 2HD2 LEU 15 8.395 -2.739 3.271 994 3HD2 LEU 15 3HD2 LEU 15 9.927 -2.851 2.371 995 H LEU 16 H LEU 16 6.825 -3.109 0.602 996 HA LEU 16 HA LEU 16 5.095 -4.409 2.591 997 1HB LEU 16 1HB LEU 16 5.216 -5.643 -0.055 998 2HB LEU 16 2HB LEU 16 3.846 -5.325 0.990 999 HG LEU 16 HG LEU 16 4.384 -2.799 0.166 1000 1HD1 LEU 16 1HD1 LEU 16 5.947 -2.867 -1.443 1001 2HD1 LEU 16 2HD1 LEU 16 5.701 -4.601 -1.759 1002 3HD1 LEU 16 3HD1 LEU 16 4.603 -3.400 -2.481 1003 1HD2 LEU 16 1HD2 LEU 16 2.346 -4.628 -0.114 1004 2HD2 LEU 16 2HD2 LEU 16 2.313 -2.934 -0.659 1005 3HD2 LEU 16 3HD2 LEU 16 2.750 -4.228 -1.801 1006 H ALA 17 H ALA 17 5.947 -6.117 3.674 1007 HA ALA 17 HA ALA 17 8.061 -7.652 2.446 1008 1HB ALA 17 1HB ALA 17 8.624 -6.416 5.147 1009 2HB ALA 17 2HB ALA 17 9.759 -7.150 3.988 1010 3HB ALA 17 3HB ALA 17 9.047 -5.555 3.648 1011 H SER 18 H SER 18 8.589 -9.598 3.832 1012 HA SER 18 HA SER 18 6.347 -10.176 5.603 1013 1HB SER 18 1HB SER 18 6.352 -11.296 3.231 1014 2HB SER 18 2HB SER 18 7.645 -12.295 3.862 1015 HG SER 18 HG SER 18 5.873 -12.459 5.769 1016 H PHE 19 H PHE 19 6.863 -11.420 7.483 1017 HA PHE 19 HA PHE 19 9.699 -11.439 8.084 1018 1HB PHE 19 1HB PHE 19 7.049 -11.799 9.580 1019 2HB PHE 19 2HB PHE 19 8.563 -12.171 10.378 1020 HD1 PHE 19 HD1 PHE 19 9.765 -10.482 11.444 1021 HD2 PHE 19 HD2 PHE 19 6.804 -9.419 8.597 1022 HE1 PHE 19 HE1 PHE 19 10.027 -8.066 12.074 1023 HE2 PHE 19 HE2 PHE 19 7.066 -7.003 9.226 1024 HZ PHE 19 HZ PHE 19 8.674 -6.356 10.957 1025 H LYS 20 H LYS 20 10.880 -13.241 7.663 1026 HA LYS 20 HA LYS 20 9.811 -15.664 6.910 1027 1HB LYS 20 1HB LYS 20 12.103 -16.544 7.334 1028 2HB LYS 20 2HB LYS 20 12.065 -15.088 6.361 1029 1HG LYS 20 1HG LYS 20 12.234 -14.051 8.940 1030 2HG LYS 20 2HG LYS 20 13.189 -15.514 9.075 1031 1HD LYS 20 1HD LYS 20 13.577 -13.396 6.907 1032 2HD LYS 20 2HD LYS 20 14.535 -13.500 8.370 1033 1HE LYS 20 1HE LYS 20 15.154 -15.891 7.692 1034 2HE LYS 20 2HE LYS 20 14.354 -15.599 6.160 1035 1HZ LYS 20 1HZ LYS 20 16.818 -14.483 7.168 1036 2HZ LYS 20 2HZ LYS 20 16.422 -14.929 5.648 1037 3HZ LYS 20 3HZ LYS 20 15.900 -13.500 6.241 1038 H ASP 21 H ASP 21 10.343 -17.822 8.172 1039 HA ASP 21 HA ASP 21 8.914 -17.536 10.643 1040 1HB ASP 21 1HB ASP 21 9.167 -19.528 8.607 1041 2HB ASP 21 2HB ASP 21 9.822 -20.246 10.065 1042 H GLY 22 H GLY 22 10.137 -17.179 12.504 1043 1HA GLY 22 1HA GLY 22 11.872 -18.776 13.711 1044 2HA GLY 22 2HA GLY 22 12.935 -17.997 12.556 1045 H VAL 23 H VAL 23 11.071 -15.500 12.667 1046 HA VAL 23 HA VAL 23 12.500 -14.271 14.846 1047 HB VAL 23 HB VAL 23 12.205 -13.279 12.567 1048 1HG1 VAL 23 1HG1 VAL 23 10.199 -12.927 11.644 1049 2HG1 VAL 23 2HG1 VAL 23 9.507 -13.887 12.973 1050 3HG1 VAL 23 3HG1 VAL 23 9.592 -12.115 13.106 1051 1HG2 VAL 23 1HG2 VAL 23 12.486 -12.059 14.949 1052 2HG2 VAL 23 2HG2 VAL 23 12.408 -11.174 13.407 1053 3HG2 VAL 23 3HG2 VAL 23 10.955 -11.318 14.425 1054 H SER 24 H SER 24 11.651 -13.587 16.797 1055 HA SER 24 HA SER 24 9.223 -14.819 17.550 1056 1HB SER 24 1HB SER 24 11.410 -13.287 18.866 1057 2HB SER 24 2HB SER 24 9.844 -13.122 19.633 1058 HG SER 24 HG SER 24 9.829 -15.630 19.373 1059 HA PRO 25 HA PRO 25 6.524 -11.438 17.070 1060 1HB PRO 25 1HB PRO 25 4.824 -11.629 19.201 1061 2HB PRO 25 2HB PRO 25 4.694 -12.643 17.778 1062 1HG PRO 25 1HG PRO 25 5.717 -13.340 20.462 1063 2HG PRO 25 2HG PRO 25 5.186 -14.408 19.178 1064 1HD PRO 25 1HD PRO 25 7.896 -13.840 19.927 1065 2HD PRO 25 2HD PRO 25 7.366 -14.815 18.571 1066 H GLU 26 H GLU 26 7.924 -11.609 20.269 1067 HA GLU 26 HA GLU 26 7.310 -9.012 20.981 1068 1HB GLU 26 1HB GLU 26 9.110 -11.162 21.915 1069 2HB GLU 26 2HB GLU 26 9.728 -9.559 22.260 1070 1HG GLU 26 1HG GLU 26 7.795 -8.955 23.538 1071 2HG GLU 26 2HG GLU 26 6.837 -10.264 22.876 1072 H LYS 27 H LYS 27 9.877 -10.385 18.933 1073 HA LYS 27 HA LYS 27 11.416 -7.972 18.914 1074 1HB LYS 27 1HB LYS 27 12.215 -10.414 18.593 1075 2HB LYS 27 2HB LYS 27 11.652 -10.244 16.943 1076 1HG LYS 27 1HG LYS 27 13.411 -8.914 16.361 1077 2HG LYS 27 2HG LYS 27 13.236 -7.911 17.788 1078 1HD LYS 27 1HD LYS 27 14.244 -10.052 19.036 1079 2HD LYS 27 2HD LYS 27 14.846 -10.447 17.438 1080 1HE LYS 27 1HE LYS 27 16.404 -8.764 17.469 1081 2HE LYS 27 2HE LYS 27 15.287 -7.609 18.168 1082 1HZ LYS 27 1HZ LYS 27 16.995 -8.105 19.718 1083 2HZ LYS 27 2HZ LYS 27 15.608 -8.743 20.298 1084 3HZ LYS 27 3HZ LYS 27 16.733 -9.714 19.620 1085 H ILE 28 H ILE 28 8.709 -9.371 17.116 1086 HA ILE 28 HA ILE 28 9.020 -7.616 14.881 1087 HB ILE 28 HB ILE 28 6.831 -9.477 15.793 1088 1HG1 ILE 28 1HG1 ILE 28 8.583 -9.738 13.351 1089 2HG1 ILE 28 2HG1 ILE 28 9.123 -10.307 14.918 1090 1HG2 ILE 28 1HG2 ILE 28 6.942 -7.998 13.155 1091 2HG2 ILE 28 2HG2 ILE 28 5.661 -9.080 13.751 1092 3HG2 ILE 28 3HG2 ILE 28 5.931 -7.505 14.535 1093 1HD1 ILE 28 1HD1 ILE 28 7.274 -11.565 13.080 1094 2HD1 ILE 28 2HD1 ILE 28 7.937 -12.206 14.602 1095 3HD1 ILE 28 3HD1 ILE 28 6.440 -11.243 14.619 1096 H GLU 29 H GLU 29 6.807 -7.814 17.748 1097 HA GLU 29 HA GLU 29 5.408 -5.516 17.116 1098 1HB GLU 29 1HB GLU 29 4.740 -5.554 19.541 1099 2HB GLU 29 2HB GLU 29 4.542 -7.098 18.736 1100 1HG GLU 29 1HG GLU 29 5.735 -7.953 20.484 1101 2HG GLU 29 2HG GLU 29 7.140 -7.317 19.653 1102 H GLU 30 H GLU 30 8.442 -6.056 18.968 1103 HA GLU 30 HA GLU 30 8.585 -3.378 19.843 1104 1HB GLU 30 1HB GLU 30 10.604 -4.008 20.877 1105 2HB GLU 30 2HB GLU 30 9.697 -5.507 20.849 1106 1HG GLU 30 1HG GLU 30 10.878 -6.086 18.658 1107 2HG GLU 30 2HG GLU 30 11.881 -4.667 18.887 1108 H LEU 31 H LEU 31 9.465 -5.123 16.915 1109 HA LEU 31 HA LEU 31 11.490 -3.418 16.004 1110 1HB LEU 31 1HB LEU 31 9.946 -5.659 15.055 1111 2HB LEU 31 2HB LEU 31 10.094 -4.455 13.791 1112 HG LEU 31 HG LEU 31 12.468 -5.537 15.325 1113 1HD1 LEU 31 1HD1 LEU 31 11.129 -6.574 12.831 1114 2HD1 LEU 31 2HD1 LEU 31 12.858 -6.849 13.153 1115 3HD1 LEU 31 3HD1 LEU 31 11.633 -7.460 14.290 1116 1HD2 LEU 31 1HD2 LEU 31 13.770 -4.651 13.450 1117 2HD2 LEU 31 2HD2 LEU 31 12.279 -4.027 12.704 1118 3HD2 LEU 31 3HD2 LEU 31 12.837 -3.371 14.262 1119 H ILE 32 H ILE 32 7.910 -3.450 15.433 1120 HA ILE 32 HA ILE 32 8.011 -1.079 13.876 1121 HB ILE 32 HB ILE 32 5.716 -2.504 15.227 1122 1HG1 ILE 32 1HG1 ILE 32 6.145 -2.625 12.288 1123 2HG1 ILE 32 2HG1 ILE 32 7.284 -3.520 13.274 1124 1HG2 ILE 32 1HG2 ILE 32 4.266 -1.019 14.386 1125 2HG2 ILE 32 2HG2 ILE 32 5.672 0.069 14.302 1126 3HG2 ILE 32 3HG2 ILE 32 5.169 -0.847 12.861 1127 1HD1 ILE 32 1HD1 ILE 32 4.715 -4.029 14.401 1128 2HD1 ILE 32 2HD1 ILE 32 4.532 -4.174 12.637 1129 3HD1 ILE 32 3HD1 ILE 32 5.743 -5.161 13.491 1130 H LYS 33 H LYS 33 7.194 -1.861 17.309 1131 HA LYS 33 HA LYS 33 6.380 0.655 18.077 1132 1HB LYS 33 1HB LYS 33 6.073 -1.294 19.470 1133 2HB LYS 33 2HB LYS 33 7.802 -1.525 19.627 1134 1HG LYS 33 1HG LYS 33 7.513 1.111 20.457 1135 2HG LYS 33 2HG LYS 33 6.018 0.395 21.027 1136 1HD LYS 33 1HD LYS 33 7.954 -1.528 21.702 1137 2HD LYS 33 2HD LYS 33 8.774 -0.008 21.999 1138 1HE LYS 33 1HE LYS 33 6.107 0.280 23.024 1139 2HE LYS 33 2HE LYS 33 6.693 -1.277 23.573 1140 1HZ LYS 33 1HZ LYS 33 7.435 0.242 25.129 1141 2HZ LYS 33 2HZ LYS 33 8.764 -0.021 24.217 1142 3HZ LYS 33 3HZ LYS 33 7.897 1.349 24.021 1143 H GLY 34 H GLY 34 9.709 -0.753 17.936 1144 1HA GLY 34 1HA GLY 34 11.014 1.528 18.974 1145 2HA GLY 34 2HA GLY 34 11.734 0.221 18.054 1146 H TYR 35 H TYR 35 10.229 0.410 15.619 1147 HA TYR 35 HA TYR 35 11.690 2.180 14.163 1148 1HB TYR 35 1HB TYR 35 9.822 0.265 13.702 1149 2HB TYR 35 2HB TYR 35 8.737 1.638 13.597 1150 HD1 TYR 35 HD1 TYR 35 10.281 3.668 12.183 1151 HD2 TYR 35 HD2 TYR 35 10.145 -0.561 11.553 1152 HE1 TYR 35 HE1 TYR 35 10.947 4.001 9.752 1153 HE2 TYR 35 HE2 TYR 35 10.811 -0.214 9.124 1154 HH TYR 35 HH TYR 35 10.519 2.542 7.554 1155 H ALA 36 H ALA 36 8.275 2.715 15.307 1156 HA ALA 36 HA ALA 36 8.040 5.298 14.376 1157 1HB ALA 36 1HB ALA 36 6.150 5.440 15.851 1158 2HB ALA 36 2HB ALA 36 6.257 3.746 15.315 1159 3HB ALA 36 3HB ALA 36 6.826 4.204 16.939 1160 H ASN 37 H ASN 37 9.724 3.992 17.226 1161 HA ASN 37 HA ASN 37 9.975 6.524 18.459 1162 1HB ASN 37 1HB ASN 37 10.630 3.749 19.054 1163 2HB ASN 37 2HB ASN 37 12.050 4.733 19.348 1164 1HD2 ASN 37 1HD2 ASN 37 11.762 4.187 21.567 1165 2HD2 ASN 37 2HD2 ASN 37 10.648 5.055 22.570 1166 H LEU 38 H LEU 38 11.688 4.596 16.033 1167 HA LEU 38 HA LEU 38 14.225 5.785 16.292 1168 1HB LEU 38 1HB LEU 38 12.864 3.897 14.563 1169 2HB LEU 38 2HB LEU 38 13.900 4.968 13.639 1170 HG LEU 38 HG LEU 38 15.522 4.239 15.763 1171 1HD1 LEU 38 1HD1 LEU 38 13.557 2.068 15.212 1172 2HD1 LEU 38 2HD1 LEU 38 15.265 1.610 15.420 1173 3HD1 LEU 38 3HD1 LEU 38 14.417 2.493 16.712 1174 1HD2 LEU 38 1HD2 LEU 38 15.278 3.163 12.949 1175 2HD2 LEU 38 2HD2 LEU 38 16.364 4.435 13.560 1176 3HD2 LEU 38 3HD2 LEU 38 16.617 2.740 14.042 1177 H VAL 39 H VAL 39 11.385 6.467 14.147 1178 HA VAL 39 HA VAL 39 12.592 8.592 12.796 1179 HB VAL 39 HB VAL 39 10.301 9.166 12.155 1180 1HG1 VAL 39 1HG1 VAL 39 11.410 6.422 11.975 1181 2HG1 VAL 39 2HG1 VAL 39 9.690 6.591 11.547 1182 3HG1 VAL 39 3HG1 VAL 39 10.919 7.552 10.691 1183 1HG2 VAL 39 1HG2 VAL 39 9.278 6.918 13.889 1184 2HG2 VAL 39 2HG2 VAL 39 9.387 8.584 14.506 1185 3HG2 VAL 39 3HG2 VAL 39 8.372 8.225 13.089 1186 H ASN 40 H ASN 40 10.955 8.329 15.953 1187 HA ASN 40 HA ASN 40 10.539 11.058 16.294 1188 1HB ASN 40 1HB ASN 40 9.371 9.485 17.732 1189 2HB ASN 40 2HB ASN 40 10.867 8.726 18.239 1190 1HD2 ASN 40 1HD2 ASN 40 9.730 12.094 17.964 1191 2HD2 ASN 40 2HD2 ASN 40 10.093 12.581 19.586 1192 H LEU 41 H LEU 41 13.395 9.172 16.107 1193 HA LEU 41 HA LEU 41 14.891 10.895 17.924 1194 1HB LEU 41 1HB LEU 41 15.134 8.162 16.928 1195 2HB LEU 41 2HB LEU 41 16.637 9.056 16.816 1196 HG LEU 41 HG LEU 41 16.581 7.857 18.896 1197 1HD1 LEU 41 1HD1 LEU 41 17.577 10.155 18.831 1198 2HD1 LEU 41 2HD1 LEU 41 16.065 10.768 19.544 1199 3HD1 LEU 41 3HD1 LEU 41 17.068 9.607 20.446 1200 1HD2 LEU 41 1HD2 LEU 41 14.274 7.463 19.258 1201 2HD2 LEU 41 2HD2 LEU 41 14.843 8.430 20.640 1202 3HD2 LEU 41 3HD2 LEU 41 13.911 9.204 19.336 1203 H ILE 42 H ILE 42 14.885 9.738 14.487 1204 HA ILE 42 HA ILE 42 16.970 11.187 13.532 1205 HB ILE 42 HB ILE 42 14.334 10.749 12.127 1206 1HG1 ILE 42 1HG1 ILE 42 14.814 8.611 12.851 1207 2HG1 ILE 42 2HG1 ILE 42 15.622 8.651 11.297 1208 1HG2 ILE 42 1HG2 ILE 42 16.318 12.244 11.190 1209 2HG2 ILE 42 2HG2 ILE 42 16.979 10.650 10.750 1210 3HG2 ILE 42 3HG2 ILE 42 15.382 11.150 10.144 1211 1HD1 ILE 42 1HD1 ILE 42 17.220 7.710 12.802 1212 2HD1 ILE 42 2HD1 ILE 42 17.744 9.396 12.579 1213 3HD1 ILE 42 3HD1 ILE 42 16.870 8.924 14.056 1214 H GLU 43 H GLU 43 13.641 12.383 12.822 1215 HA GLU 43 HA GLU 43 13.524 14.628 14.199 1216 1HB GLU 43 1HB GLU 43 15.762 14.850 12.338 1217 2HB GLU 43 2HB GLU 43 14.559 16.076 11.987 1218 1HG GLU 43 1HG GLU 43 14.568 16.777 14.388 1219 2HG GLU 43 2HG GLU 43 15.763 15.546 14.746 1220 HA PRO 44 HA PRO 44 11.237 15.099 10.073 1221 1HB PRO 44 1HB PRO 44 11.853 13.479 7.960 1222 2HB PRO 44 2HB PRO 44 12.521 15.087 8.161 1223 1HG PRO 44 1HG PRO 44 13.825 12.470 8.599 1224 2HG PRO 44 2HG PRO 44 14.566 14.043 8.381 1225 1HD PRO 44 1HD PRO 44 14.250 12.624 10.853 1226 2HD PRO 44 2HD PRO 44 14.885 14.244 10.648 1227 H MET 45 H MET 45 10.058 13.252 8.264 1228 HA MET 45 HA MET 45 8.677 11.557 8.204 1229 1HB MET 45 1HB MET 45 10.538 10.453 9.743 1230 2HB MET 45 2HB MET 45 9.405 10.731 11.051 1231 1HG MET 45 1HG MET 45 9.069 8.464 10.176 1232 2HG MET 45 2HG MET 45 7.656 9.430 9.800 1233 1HE MET 45 1HE MET 45 11.081 7.913 7.898 1234 2HE MET 45 2HE MET 45 9.884 7.044 8.888 1235 3HE MET 45 3HE MET 45 9.852 6.891 7.114 1236 H LYS 46 H LYS 46 6.978 13.179 8.239 1237 HA LYS 46 HA LYS 46 5.894 14.456 10.326 1238 1HB LYS 46 1HB LYS 46 4.868 13.403 7.758 1239 2HB LYS 46 2HB LYS 46 3.638 13.767 8.951 1240 1HG LYS 46 1HG LYS 46 3.825 15.918 8.206 1241 2HG LYS 46 2HG LYS 46 5.264 15.983 9.204 1242 1HD LYS 46 1HD LYS 46 6.587 16.215 7.378 1243 2HD LYS 46 2HD LYS 46 5.955 14.737 6.680 1244 1HE LYS 46 1HE LYS 46 4.605 15.873 5.233 1245 2HE LYS 46 2HE LYS 46 3.996 16.924 6.497 1246 1HZ LYS 46 1HZ LYS 46 5.671 17.673 4.554 1247 2HZ LYS 46 2HZ LYS 46 5.454 18.485 5.955 1248 3HZ LYS 46 3HZ LYS 46 6.708 17.450 5.796 1249 H ALA 47 H ALA 47 5.077 11.061 9.335 1250 HA ALA 47 HA ALA 47 4.794 10.276 12.042 1251 1HB ALA 47 1HB ALA 47 2.254 9.625 11.484 1252 2HB ALA 47 2HB ALA 47 2.685 11.183 12.229 1253 3HB ALA 47 3HB ALA 47 2.370 11.090 10.480 1254 H PHE 48 H PHE 48 4.949 8.033 12.195 1255 HA PHE 48 HA PHE 48 4.960 6.643 9.607 1256 1HB PHE 48 1HB PHE 48 7.211 6.653 10.444 1257 2HB PHE 48 2HB PHE 48 6.684 6.613 12.115 1258 HD1 PHE 48 HD1 PHE 48 7.251 4.581 9.106 1259 HD2 PHE 48 HD2 PHE 48 6.242 4.529 13.228 1260 HE1 PHE 48 HE1 PHE 48 7.638 2.102 9.170 1261 HE2 PHE 48 HE2 PHE 48 6.630 2.050 13.291 1262 HZ PHE 48 HZ PHE 48 7.323 0.866 11.261 1263 H HIS 49 H HIS 49 3.478 5.036 9.380 1264 HA HIS 49 HA HIS 49 2.605 3.687 11.814 1265 1HB HIS 49 1HB HIS 49 0.259 3.739 10.945 1266 2HB HIS 49 2HB HIS 49 0.881 5.282 11.493 1267 HD1 HIS 49 HD1 HIS 49 1.003 7.195 9.797 1268 HD2 HIS 49 HD2 HIS 49 0.011 3.504 8.068 1269 HE1 HIS 49 HE1 HIS 49 0.293 7.697 7.398 1270 HE2 HIS 49 HE2 HIS 49 -0.252 5.385 6.370 1271 H TRP 50 H TRP 50 1.412 1.583 11.250 1272 HA TRP 50 HA TRP 50 2.447 0.512 8.717 1273 1HB TRP 50 1HB TRP 50 2.879 -1.616 9.894 1274 2HB TRP 50 2HB TRP 50 3.926 -0.300 10.386 1275 HD1 TRP 50 HD1 TRP 50 2.560 1.075 12.734 1276 HE1 TRP 50 HE1 TRP 50 1.854 -0.071 15.003 1277 HE3 TRP 50 HE3 TRP 50 2.392 -3.663 10.896 1278 HZ2 TRP 50 HZ2 TRP 50 1.317 -2.770 15.759 1279 HZ3 TRP 50 HZ3 TRP 50 1.769 -5.496 12.466 1280 HH2 TRP 50 HH2 TRP 50 1.241 -5.111 14.822 1281 H GLY 51 H GLY 51 1.190 -1.615 8.180 1282 1HA GLY 51 1HA GLY 51 -1.589 -1.440 9.160 1283 2HA GLY 51 2HA GLY 51 -1.238 -1.449 7.443 1284 H LYS 52 H LYS 52 -2.680 -3.436 9.264 1285 HA LYS 52 HA LYS 52 -0.958 -5.756 8.743 1286 1HB LYS 52 1HB LYS 52 -2.007 -6.869 10.555 1287 2HB LYS 52 2HB LYS 52 -1.574 -5.273 11.133 1288 1HG LYS 52 1HG LYS 52 -3.791 -4.541 11.224 1289 2HG LYS 52 2HG LYS 52 -4.310 -5.591 9.921 1290 1HD LYS 52 1HD LYS 52 -3.607 -6.482 12.759 1291 2HD LYS 52 2HD LYS 52 -5.225 -6.357 12.097 1292 1HE LYS 52 1HE LYS 52 -4.200 -7.984 10.209 1293 2HE LYS 52 2HE LYS 52 -3.077 -8.388 11.493 1294 1HZ LYS 52 1HZ LYS 52 -5.960 -8.376 11.976 1295 2HZ LYS 52 2HZ LYS 52 -5.217 -9.686 11.345 1296 3HZ LYS 52 3HZ LYS 52 -4.792 -9.140 12.824 1297 H ASP 53 H ASP 53 -1.799 -7.537 7.600 1298 HA ASP 53 HA ASP 53 -3.624 -6.886 5.636 1299 1HB ASP 53 1HB ASP 53 -3.574 -9.329 5.106 1300 2HB ASP 53 2HB ASP 53 -1.969 -8.666 5.345 1301 H VAL 54 H VAL 54 -5.892 -7.011 5.607 1302 HA VAL 54 HA VAL 54 -7.172 -7.945 8.041 1303 HB VAL 54 HB VAL 54 -9.189 -6.919 6.935 1304 1HG1 VAL 54 1HG1 VAL 54 -8.600 -4.698 7.562 1305 2HG1 VAL 54 2HG1 VAL 54 -7.658 -5.785 8.611 1306 3HG1 VAL 54 3HG1 VAL 54 -6.876 -4.983 7.228 1307 1HG2 VAL 54 1HG2 VAL 54 -7.301 -5.541 5.043 1308 2HG2 VAL 54 2HG2 VAL 54 -8.002 -7.117 4.603 1309 3HG2 VAL 54 3HG2 VAL 54 -9.068 -5.734 4.948 1310 H SER 55 H SER 55 -9.357 -9.155 7.668 1311 HA SER 55 HA SER 55 -8.910 -11.628 6.879 1312 1HB SER 55 1HB SER 55 -11.322 -9.938 7.138 1313 2HB SER 55 2HB SER 55 -11.559 -11.302 6.063 1314 HG SER 55 HG SER 55 -11.241 -12.732 7.705 1315 H ILE 56 H ILE 56 -8.228 -12.574 4.995 1316 HA ILE 56 HA ILE 56 -9.031 -11.256 2.494 1317 HB ILE 56 HB ILE 56 -6.877 -12.659 1.755 1318 1HG1 ILE 56 1HG1 ILE 56 -5.113 -12.283 3.526 1319 2HG1 ILE 56 2HG1 ILE 56 -6.406 -11.982 4.670 1320 1HG2 ILE 56 1HG2 ILE 56 -5.988 -10.638 1.321 1321 2HG2 ILE 56 2HG2 ILE 56 -7.568 -10.042 1.886 1322 3HG2 ILE 56 3HG2 ILE 56 -6.178 -10.070 2.997 1323 1HD1 ILE 56 1HD1 ILE 56 -6.206 -14.525 2.996 1324 2HD1 ILE 56 2HD1 ILE 56 -5.575 -14.374 4.653 1325 3HD1 ILE 56 3HD1 ILE 56 -7.322 -14.216 4.349 1326 H GLU 57 H GLU 57 -9.679 -13.824 4.525 1327 HA GLU 57 HA GLU 57 -10.339 -15.909 4.255 1328 1HB GLU 57 1HB GLU 57 -11.995 -14.107 2.615 1329 2HB GLU 57 2HB GLU 57 -12.113 -15.774 2.088 1330 1HG GLU 57 1HG GLU 57 -12.179 -15.666 5.000 1331 2HG GLU 57 2HG GLU 57 -13.380 -14.571 4.346 1332 H ASN 58 H ASN 58 -7.987 -16.338 3.418 1333 HA ASN 58 HA ASN 58 -6.681 -17.494 2.131 1334 1HB ASN 58 1HB ASN 58 -9.193 -18.351 0.598 1335 2HB ASN 58 2HB ASN 58 -7.641 -19.163 0.544 1336 1HD2 ASN 58 1HD2 ASN 58 -10.627 -18.907 2.075 1337 2HD2 ASN 58 2HD2 ASN 58 -10.355 -19.930 3.445 1338 H LEU 59 H LEU 59 -5.701 -15.586 1.158 1339 HA LEU 59 HA LEU 59 -5.588 -15.435 -1.535 1340 1HB LEU 59 1HB LEU 59 -8.057 -14.271 -0.592 1341 2HB LEU 59 2HB LEU 59 -7.063 -13.052 -1.366 1342 HG LEU 59 HG LEU 59 -7.734 -15.703 -2.663 1343 1HD1 LEU 59 1HD1 LEU 59 -9.672 -14.911 -3.523 1344 2HD1 LEU 59 2HD1 LEU 59 -9.655 -13.939 -2.032 1345 3HD1 LEU 59 3HD1 LEU 59 -9.101 -13.225 -3.566 1346 1HD2 LEU 59 1HD2 LEU 59 -5.783 -14.710 -3.629 1347 2HD2 LEU 59 2HD2 LEU 59 -7.143 -14.455 -4.748 1348 3HD2 LEU 59 3HD2 LEU 59 -6.571 -13.117 -3.724 1349 H HIS 60 H HIS 60 -3.438 -15.233 -0.593 1350 HA HIS 60 HA HIS 60 -2.611 -12.547 -0.533 1351 1HB HIS 60 1HB HIS 60 -1.847 -12.339 1.736 1352 2HB HIS 60 2HB HIS 60 -3.572 -12.647 1.733 1353 HD1 HIS 60 HD1 HIS 60 -0.321 -14.046 2.897 1354 HD2 HIS 60 HD2 HIS 60 -4.325 -15.273 2.662 1355 HE1 HIS 60 HE1 HIS 60 -0.525 -16.109 4.385 1356 HE2 HIS 60 HE2 HIS 60 -3.019 -16.785 4.243 1357 H GLN 61 H GLN 61 -0.241 -12.384 -0.491 1358 HA GLN 61 HA GLN 61 0.900 -14.913 -1.320 1359 1HB GLN 61 1HB GLN 61 1.133 -12.208 -2.230 1360 2HB GLN 61 2HB GLN 61 2.711 -12.675 -1.629 1361 1HG GLN 61 1HG GLN 61 2.390 -13.233 -4.058 1362 2HG GLN 61 2HG GLN 61 2.770 -14.638 -3.082 1363 1HE2 GLN 61 1HE2 GLN 61 0.339 -12.934 -4.887 1364 2HE2 GLN 61 2HE2 GLN 61 -0.848 -14.192 -4.971 1365 H GLY 62 H GLY 62 0.682 -12.893 1.424 1366 1HA GLY 62 1HA GLY 62 1.640 -13.767 3.451 1367 2HA GLY 62 2HA GLY 62 3.107 -14.139 2.568 1368 H TYR 63 H TYR 63 1.031 -11.162 2.522 1369 HA TYR 63 HA TYR 63 3.323 -9.486 2.621 1370 1HB TYR 63 1HB TYR 63 0.278 -9.300 2.754 1371 2HB TYR 63 2HB TYR 63 1.205 -7.863 3.137 1372 HD1 TYR 63 HD1 TYR 63 -0.209 -9.843 0.518 1373 HD2 TYR 63 HD2 TYR 63 2.905 -7.033 1.363 1374 HE1 TYR 63 HE1 TYR 63 -0.020 -9.297 -1.958 1375 HE2 TYR 63 HE2 TYR 63 3.083 -6.497 -1.115 1376 HH TYR 63 HH TYR 63 1.985 -8.381 -3.450 1377 H THR 64 H THR 64 0.820 -10.548 4.992 1378 HA THR 64 HA THR 64 0.777 -10.469 7.214 1379 HB THR 64 HB THR 64 2.812 -10.871 8.291 1380 HG1 THR 64 HG1 THR 64 4.569 -9.415 7.911 1381 1HG2 THR 64 1HG2 THR 64 2.843 -11.896 5.774 1382 2HG2 THR 64 2HG2 THR 64 4.207 -10.762 5.623 1383 3HG2 THR 64 3HG2 THR 64 4.244 -12.039 6.863 1384 H HIS 65 H HIS 65 2.961 -7.767 6.154 1385 HA HIS 65 HA HIS 65 0.987 -5.871 6.910 1386 1HB HIS 65 1HB HIS 65 3.512 -5.781 8.558 1387 2HB HIS 65 2HB HIS 65 2.045 -4.845 8.761 1388 HD1 HIS 65 HD1 HIS 65 3.287 -8.438 9.130 1389 HD2 HIS 65 HD2 HIS 65 0.187 -5.953 10.473 1390 HE1 HIS 65 HE1 HIS 65 2.030 -9.763 10.912 1391 HE2 HIS 65 HE2 HIS 65 0.171 -8.164 11.739 1392 H ILE 66 H ILE 66 1.900 -3.566 6.590 1393 HA ILE 66 HA ILE 66 4.203 -3.602 4.793 1394 HB ILE 66 HB ILE 66 2.999 -2.161 3.205 1395 1HG1 ILE 66 1HG1 ILE 66 0.301 -2.892 3.954 1396 2HG1 ILE 66 2HG1 ILE 66 1.067 -2.005 5.256 1397 1HG2 ILE 66 1HG2 ILE 66 1.231 -4.462 3.088 1398 2HG2 ILE 66 2HG2 ILE 66 2.559 -3.981 2.006 1399 3HG2 ILE 66 3HG2 ILE 66 2.904 -4.932 3.471 1400 1HD1 ILE 66 1HD1 ILE 66 0.379 -0.186 4.025 1401 2HD1 ILE 66 2HD1 ILE 66 1.900 -0.487 3.149 1402 3HD1 ILE 66 3HD1 ILE 66 0.361 -1.099 2.497 1403 H PHE 67 H PHE 67 5.534 -1.820 5.007 1404 HA PHE 67 HA PHE 67 4.705 0.047 7.100 1405 1HB PHE 67 1HB PHE 67 7.367 -0.842 5.850 1406 2HB PHE 67 2HB PHE 67 7.285 0.498 6.977 1407 HD1 PHE 67 HD1 PHE 67 7.870 0.001 9.140 1408 HD2 PHE 67 HD2 PHE 67 6.014 -3.019 6.807 1409 HE1 PHE 67 HE1 PHE 67 8.066 -1.603 11.060 1410 HE2 PHE 67 HE2 PHE 67 6.210 -4.623 8.727 1411 HZ PHE 67 HZ PHE 67 7.234 -3.896 10.831 1412 H GLU 68 H GLU 68 3.990 2.017 6.453 1413 HA GLU 68 HA GLU 68 5.059 2.994 3.920 1414 1HB GLU 68 1HB GLU 68 2.979 4.125 3.523 1415 2HB GLU 68 2HB GLU 68 2.566 2.495 4.020 1416 1HG GLU 68 1HG GLU 68 1.122 3.716 5.385 1417 2HG GLU 68 2HG GLU 68 2.498 3.557 6.459 1418 H SER 69 H SER 69 5.981 5.062 3.849 1419 HA SER 69 HA SER 69 5.954 6.482 6.396 1420 1HB SER 69 1HB SER 69 8.284 6.174 4.451 1421 2HB SER 69 2HB SER 69 8.302 7.217 5.859 1422 HG SER 69 HG SER 69 7.619 5.025 6.982 1423 H THR 70 H THR 70 5.459 8.678 6.271 1424 HA THR 70 HA THR 70 4.735 9.664 3.634 1425 HB THR 70 HB THR 70 4.290 10.593 6.514 1426 HG1 THR 70 HG1 THR 70 2.466 9.411 6.088 1427 1HG2 THR 70 1HG2 THR 70 3.134 11.789 3.944 1428 2HG2 THR 70 2HG2 THR 70 2.830 12.335 5.611 1429 3HG2 THR 70 3HG2 THR 70 4.437 12.560 4.879 1430 H PHE 71 H PHE 71 5.843 11.101 2.443 1431 HA PHE 71 HA PHE 71 8.084 12.431 3.794 1432 1HB PHE 71 1HB PHE 71 7.810 11.182 0.996 1433 2HB PHE 71 2HB PHE 71 9.180 12.170 1.460 1434 HD1 PHE 71 HD1 PHE 71 10.778 11.350 3.164 1435 HD2 PHE 71 HD2 PHE 71 7.622 8.907 1.721 1436 HE1 PHE 71 HE1 PHE 71 11.937 9.317 4.070 1437 HE2 PHE 71 HE2 PHE 71 8.782 6.874 2.627 1438 HZ PHE 71 HZ PHE 71 10.926 7.103 3.791 1439 H GLU 72 H GLU 72 8.825 14.453 2.633 1440 HA GLU 72 HA GLU 72 6.460 15.784 1.589 1441 1HB GLU 72 1HB GLU 72 7.854 17.894 2.140 1442 2HB GLU 72 2HB GLU 72 7.225 16.969 3.488 1443 1HG GLU 72 1HG GLU 72 9.936 16.173 2.472 1444 2HG GLU 72 2HG GLU 72 9.835 17.716 3.295 1445 H SER 73 H SER 73 9.525 14.463 0.706 1446 HA SER 73 HA SER 73 9.156 15.370 -1.950 1447 1HB SER 73 1HB SER 73 10.467 17.239 -0.618 1448 2HB SER 73 2HB SER 73 11.826 16.141 -0.748 1449 HG SER 73 HG SER 73 12.092 17.126 -2.645 1450 H LYS 74 H LYS 74 10.637 14.215 -3.461 1451 HA LYS 74 HA LYS 74 11.306 11.637 -2.405 1452 1HB LYS 74 1HB LYS 74 11.710 11.037 -4.708 1453 2HB LYS 74 2HB LYS 74 10.205 11.927 -4.592 1454 1HG LYS 74 1HG LYS 74 11.853 14.024 -5.051 1455 2HG LYS 74 2HG LYS 74 12.830 12.776 -5.798 1456 1HD LYS 74 1HD LYS 74 9.904 12.792 -6.485 1457 2HD LYS 74 2HD LYS 74 10.870 14.103 -7.131 1458 1HE LYS 74 1HE LYS 74 11.756 12.737 -8.712 1459 2HE LYS 74 2HE LYS 74 12.339 11.630 -7.484 1460 1HZ LYS 74 1HZ LYS 74 10.532 10.934 -9.203 1461 2HZ LYS 74 2HZ LYS 74 10.511 10.345 -7.680 1462 3HZ LYS 74 3HZ LYS 74 9.511 11.567 -8.097 1463 H GLU 75 H GLU 75 12.950 14.670 -3.180 1464 HA GLU 75 HA GLU 75 15.510 13.540 -3.382 1465 1HB GLU 75 1HB GLU 75 14.472 16.352 -2.903 1466 2HB GLU 75 2HB GLU 75 16.191 16.013 -2.894 1467 1HG GLU 75 1HG GLU 75 15.300 14.699 -5.207 1468 2HG GLU 75 2HG GLU 75 14.319 16.150 -5.176 1469 H ALA 76 H ALA 76 13.476 14.725 -0.698 1470 HA ALA 76 HA ALA 76 15.598 14.769 1.200 1471 1HB ALA 76 1HB ALA 76 13.517 16.139 1.347 1472 2HB ALA 76 2HB ALA 76 12.581 14.646 1.595 1473 3HB ALA 76 3HB ALA 76 13.789 15.148 2.801 1474 H VAL 77 H VAL 77 13.268 12.374 -0.041 1475 HA VAL 77 HA VAL 77 13.383 10.524 2.002 1476 HB VAL 77 HB VAL 77 13.058 10.270 -0.986 1477 1HG1 VAL 77 1HG1 VAL 77 13.946 8.145 -0.079 1478 2HG1 VAL 77 2HG1 VAL 77 12.605 8.100 1.091 1479 3HG1 VAL 77 3HG1 VAL 77 12.269 7.988 -0.654 1480 1HG2 VAL 77 1HG2 VAL 77 10.873 10.666 -0.646 1481 2HG2 VAL 77 2HG2 VAL 77 10.811 9.613 0.788 1482 3HG2 VAL 77 3HG2 VAL 77 11.372 11.295 0.943 1483 H ALA 78 H ALA 78 15.650 11.164 -0.718 1484 HA ALA 78 HA ALA 78 17.257 8.910 -0.311 1485 1HB ALA 78 1HB ALA 78 18.452 11.476 -1.283 1486 2HB ALA 78 2HB ALA 78 18.552 9.837 -1.970 1487 3HB ALA 78 3HB ALA 78 17.081 10.812 -2.204 1488 H GLU 79 H GLU 79 17.293 12.240 1.073 1489 HA GLU 79 HA GLU 79 19.708 11.948 2.401 1490 1HB GLU 79 1HB GLU 79 17.676 13.922 2.130 1491 2HB GLU 79 2HB GLU 79 17.860 13.667 3.854 1492 1HG GLU 79 1HG GLU 79 19.482 15.325 3.379 1493 2HG GLU 79 2HG GLU 79 20.425 13.849 3.436 1494 H TYR 80 H TYR 80 16.296 11.309 3.410 1495 HA TYR 80 HA TYR 80 17.021 10.557 6.054 1496 1HB TYR 80 1HB TYR 80 14.605 10.008 4.220 1497 2HB TYR 80 2HB TYR 80 14.591 9.724 5.949 1498 HD1 TYR 80 HD1 TYR 80 16.489 12.486 5.990 1499 HD2 TYR 80 HD2 TYR 80 12.513 11.386 4.856 1500 HE1 TYR 80 HE1 TYR 80 15.711 14.875 6.375 1501 HE2 TYR 80 HE2 TYR 80 11.748 13.780 5.245 1502 HH TYR 80 HH TYR 80 12.294 15.720 6.126 1503 H ILE 81 H ILE 81 16.557 8.851 2.935 1504 HA ILE 81 HA ILE 81 16.595 6.268 4.131 1505 HB ILE 81 HB ILE 81 16.796 7.302 1.312 1506 1HG1 ILE 81 1HG1 ILE 81 14.615 7.374 2.607 1507 2HG1 ILE 81 2HG1 ILE 81 14.582 6.553 1.059 1508 1HG2 ILE 81 1HG2 ILE 81 16.714 5.008 0.509 1509 2HG2 ILE 81 2HG2 ILE 81 18.181 5.279 1.481 1510 3HG2 ILE 81 3HG2 ILE 81 16.801 4.398 2.179 1511 1HD1 ILE 81 1HD1 ILE 81 14.325 4.447 2.009 1512 2HD1 ILE 81 2HD1 ILE 81 15.216 4.890 3.485 1513 3HD1 ILE 81 3HD1 ILE 81 13.536 5.435 3.263 1514 H ALA 82 H ALA 82 18.991 8.613 2.994 1515 HA ALA 82 HA ALA 82 21.093 6.611 3.069 1516 1HB ALA 82 1HB ALA 82 21.155 9.603 2.496 1517 2HB ALA 82 2HB ALA 82 22.498 8.459 2.255 1518 3HB ALA 82 3HB ALA 82 21.021 8.318 1.272 1519 H HIS 83 H HIS 83 19.767 6.818 5.533 1520 HA HIS 83 HA HIS 83 21.619 8.445 7.109 1521 1HB HIS 83 1HB HIS 83 18.933 8.550 7.155 1522 2HB HIS 83 2HB HIS 83 19.167 7.269 8.328 1523 HD1 HIS 83 HD1 HIS 83 19.627 8.000 10.681 1524 HD2 HIS 83 HD2 HIS 83 20.492 11.005 7.885 1525 HE1 HIS 83 HE1 HIS 83 20.241 10.077 12.031 1526 HE2 HIS 83 HE2 HIS 83 20.815 11.873 10.259 1527 HA PRO 84 HA PRO 84 23.353 4.762 8.583 1528 1HB PRO 84 1HB PRO 84 24.649 5.685 10.805 1529 2HB PRO 84 2HB PRO 84 25.297 5.840 9.184 1530 1HG PRO 84 1HG PRO 84 24.065 7.913 10.894 1531 2HG PRO 84 2HG PRO 84 25.082 8.117 9.482 1532 1HD PRO 84 1HD PRO 84 22.235 8.438 9.606 1533 2HD PRO 84 2HD PRO 84 23.238 8.529 8.172 1534 H ALA 85 H ALA 85 21.442 6.681 10.772 1535 HA ALA 85 HA ALA 85 21.177 4.733 12.756 1536 1HB ALA 85 1HB ALA 85 20.547 7.294 12.630 1537 2HB ALA 85 2HB ALA 85 18.975 6.674 12.072 1538 3HB ALA 85 3HB ALA 85 19.607 6.193 13.665 1539 H HIS 86 H HIS 86 19.302 5.426 9.748 1540 HA HIS 86 HA HIS 86 17.405 3.390 10.296 1541 1HB HIS 86 1HB HIS 86 16.497 4.993 8.949 1542 2HB HIS 86 2HB HIS 86 17.994 5.296 8.091 1543 HD1 HIS 86 HD1 HIS 86 18.708 3.230 6.356 1544 HD2 HIS 86 HD2 HIS 86 14.689 3.516 7.522 1545 HE1 HIS 86 HE1 HIS 86 17.370 1.895 4.642 1546 HE2 HIS 86 HE2 HIS 86 14.915 2.062 5.441 1547 H VAL 87 H VAL 87 20.405 3.675 8.320 1548 HA VAL 87 HA VAL 87 20.206 1.227 7.028 1549 HB VAL 87 HB VAL 87 22.379 3.137 7.749 1550 1HG1 VAL 87 1HG1 VAL 87 22.855 0.334 6.690 1551 2HG1 VAL 87 2HG1 VAL 87 24.038 1.659 6.574 1552 3HG1 VAL 87 3HG1 VAL 87 23.519 1.065 8.170 1553 1HG2 VAL 87 1HG2 VAL 87 22.202 3.764 5.599 1554 2HG2 VAL 87 2HG2 VAL 87 22.180 2.084 5.013 1555 3HG2 VAL 87 3HG2 VAL 87 20.680 2.842 5.598 1556 H GLU 88 H GLU 88 21.281 2.114 10.321 1557 HA GLU 88 HA GLU 88 22.511 -0.305 10.899 1558 1HB GLU 88 1HB GLU 88 22.422 2.029 12.172 1559 2HB GLU 88 2HB GLU 88 21.076 1.297 13.022 1560 1HG GLU 88 1HG GLU 88 22.820 0.603 14.395 1561 2HG GLU 88 2HG GLU 88 22.758 -0.760 13.294 1562 H PHE 89 H PHE 89 19.120 0.868 11.372 1563 HA PHE 89 HA PHE 89 18.293 -1.572 12.580 1564 1HB PHE 89 1HB PHE 89 17.397 1.041 12.408 1565 2HB PHE 89 2HB PHE 89 16.395 0.312 11.169 1566 HD1 PHE 89 HD1 PHE 89 14.263 -0.043 11.949 1567 HD2 PHE 89 HD2 PHE 89 17.525 -0.819 14.551 1568 HE1 PHE 89 HE1 PHE 89 12.666 -0.844 13.712 1569 HE2 PHE 89 HE2 PHE 89 15.928 -1.621 16.314 1570 HZ PHE 89 HZ PHE 89 13.518 -1.624 15.873 1571 H ALA 90 H ALA 90 18.090 -0.100 9.290 1572 HA ALA 90 HA ALA 90 16.385 -1.948 8.146 1573 1HB ALA 90 1HB ALA 90 16.802 -0.079 6.837 1574 2HB ALA 90 2HB ALA 90 18.549 -0.096 7.179 1575 3HB ALA 90 3HB ALA 90 17.853 -1.274 6.040 1576 H THR 91 H THR 91 19.950 -2.035 8.675 1577 HA THR 91 HA THR 91 20.396 -4.402 7.223 1578 HB THR 91 HB THR 91 21.888 -3.072 9.545 1579 HG1 THR 91 HG1 THR 91 22.879 -2.009 7.768 1580 1HG2 THR 91 1HG2 THR 91 23.570 -4.603 9.273 1581 2HG2 THR 91 2HG2 THR 91 22.388 -5.609 8.401 1582 3HG2 THR 91 3HG2 THR 91 23.451 -4.501 7.500 1583 H ILE 92 H ILE 92 19.602 -3.801 10.687 1584 HA ILE 92 HA ILE 92 19.862 -6.491 11.442 1585 HB ILE 92 HB ILE 92 18.476 -4.093 12.606 1586 1HG1 ILE 92 1HG1 ILE 92 20.898 -4.067 12.692 1587 2HG1 ILE 92 2HG1 ILE 92 20.241 -4.282 14.302 1588 1HG2 ILE 92 1HG2 ILE 92 18.466 -6.929 13.656 1589 2HG2 ILE 92 2HG2 ILE 92 18.177 -5.502 14.680 1590 3HG2 ILE 92 3HG2 ILE 92 17.076 -5.865 13.329 1591 1HD1 ILE 92 1HD1 ILE 92 20.487 -6.894 13.632 1592 2HD1 ILE 92 2HD1 ILE 92 21.765 -6.218 12.593 1593 3HD1 ILE 92 3HD1 ILE 92 21.824 -5.966 14.354 1594 H PHE 93 H PHE 93 17.255 -4.592 9.930 1595 HA PHE 93 HA PHE 93 15.259 -6.558 10.395 1596 1HB PHE 93 1HB PHE 93 15.481 -3.886 9.529 1597 2HB PHE 93 2HB PHE 93 15.060 -4.715 8.043 1598 HD1 PHE 93 HD1 PHE 93 13.193 -6.770 8.907 1599 HD2 PHE 93 HD2 PHE 93 13.594 -2.764 10.249 1600 HE1 PHE 93 HE1 PHE 93 10.776 -6.755 9.584 1601 HE2 PHE 93 HE2 PHE 93 11.176 -2.749 10.926 1602 HZ PHE 93 HZ PHE 93 9.797 -4.745 10.585 1603 H LEU 94 H LEU 94 17.177 -5.542 7.478 1604 HA LEU 94 HA LEU 94 16.116 -7.422 5.750 1605 1HB LEU 94 1HB LEU 94 18.695 -5.897 5.875 1606 2HB LEU 94 2HB LEU 94 18.448 -7.107 4.632 1607 HG LEU 94 HG LEU 94 16.182 -5.277 4.820 1608 1HD1 LEU 94 1HD1 LEU 94 18.452 -3.959 5.458 1609 2HD1 LEU 94 2HD1 LEU 94 18.515 -3.853 3.682 1610 3HD1 LEU 94 3HD1 LEU 94 17.097 -3.233 4.561 1611 1HD2 LEU 94 1HD2 LEU 94 16.135 -6.369 2.844 1612 2HD2 LEU 94 2HD2 LEU 94 17.136 -4.994 2.318 1613 3HD2 LEU 94 3HD2 LEU 94 17.905 -6.537 2.762 1614 H GLY 95 H GLY 95 18.395 -7.750 8.416 1615 1HA GLY 95 1HA GLY 95 19.707 -10.101 7.640 1616 2HA GLY 95 2HA GLY 95 19.462 -9.529 9.278 1617 H SER 96 H SER 96 16.632 -9.542 9.484 1618 HA SER 96 HA SER 96 16.130 -12.397 9.157 1619 1HB SER 96 1HB SER 96 15.551 -10.468 11.391 1620 2HB SER 96 2HB SER 96 14.389 -11.750 11.113 1621 HG SER 96 HG SER 96 16.129 -13.308 11.324 1622 H LEU 97 H LEU 97 15.593 -10.859 6.949 1623 HA LEU 97 HA LEU 97 12.688 -10.449 7.113 1624 1HB LEU 97 1HB LEU 97 14.685 -8.616 6.417 1625 2HB LEU 97 2HB LEU 97 13.973 -9.108 4.893 1626 HG LEU 97 HG LEU 97 12.473 -7.970 7.268 1627 1HD1 LEU 97 1HD1 LEU 97 13.543 -6.130 6.395 1628 2HD1 LEU 97 2HD1 LEU 97 13.542 -6.775 4.736 1629 3HD1 LEU 97 3HD1 LEU 97 12.038 -6.139 5.444 1630 1HD2 LEU 97 1HD2 LEU 97 10.512 -7.930 5.813 1631 2HD2 LEU 97 2HD2 LEU 97 11.440 -8.728 4.521 1632 3HD2 LEU 97 3HD2 LEU 97 11.110 -9.591 6.042 1633 H ASP 98 H ASP 98 11.401 -11.505 5.621 1634 HA ASP 98 HA ASP 98 12.672 -13.657 4.283 1635 1HB ASP 98 1HB ASP 98 10.410 -13.810 5.365 1636 2HB ASP 98 2HB ASP 98 9.781 -12.671 4.192 1637 H LYS 99 H LYS 99 10.350 -11.053 3.193 1638 HA LYS 99 HA LYS 99 11.947 -10.771 0.759 1639 1HB LYS 99 1HB LYS 99 9.781 -10.628 -0.531 1640 2HB LYS 99 2HB LYS 99 10.238 -12.226 0.022 1641 1HG LYS 99 1HG LYS 99 8.721 -11.957 2.008 1642 2HG LYS 99 2HG LYS 99 8.245 -10.377 1.418 1643 1HD LYS 99 1HD LYS 99 7.977 -12.786 -0.401 1644 2HD LYS 99 2HD LYS 99 6.774 -12.511 0.843 1645 1HE LYS 99 1HE LYS 99 5.927 -10.615 -0.188 1646 2HE LYS 99 2HE LYS 99 7.489 -10.116 -0.805 1647 1HZ LYS 99 1HZ LYS 99 6.636 -12.552 -1.958 1648 2HZ LYS 99 2HZ LYS 99 5.546 -11.363 -2.211 1649 3HZ LYS 99 3HZ LYS 99 7.095 -11.166 -2.690 1650 H VAL 100 H VAL 100 11.634 -8.668 -0.315 1651 HA VAL 100 HA VAL 100 10.185 -6.678 1.190 1652 HB VAL 100 HB VAL 100 12.480 -5.321 1.046 1653 1HG1 VAL 100 1HG1 VAL 100 12.024 -7.190 3.378 1654 2HG1 VAL 100 2HG1 VAL 100 12.635 -5.519 3.388 1655 3HG1 VAL 100 3HG1 VAL 100 10.922 -5.838 3.023 1656 1HG2 VAL 100 1HG2 VAL 100 14.409 -6.615 1.560 1657 2HG2 VAL 100 2HG2 VAL 100 13.449 -8.100 1.768 1658 3HG2 VAL 100 3HG2 VAL 100 13.650 -7.390 0.148 1659 H LEU 101 H LEU 101 9.223 -5.339 -0.254 1660 HA LEU 101 HA LEU 101 10.579 -4.967 -2.824 1661 1HB LEU 101 1HB LEU 101 7.810 -5.969 -2.306 1662 2HB LEU 101 2HB LEU 101 8.102 -4.960 -3.708 1663 HG LEU 101 HG LEU 101 8.280 -7.125 -4.535 1664 1HD1 LEU 101 1HD1 LEU 101 11.192 -6.749 -3.918 1665 2HD1 LEU 101 2HD1 LEU 101 10.398 -7.233 -5.437 1666 3HD1 LEU 101 3HD1 LEU 101 10.326 -5.539 -4.895 1667 1HD2 LEU 101 1HD2 LEU 101 8.393 -8.093 -2.142 1668 2HD2 LEU 101 2HD2 LEU 101 9.143 -9.006 -3.474 1669 3HD2 LEU 101 3HD2 LEU 101 10.158 -8.046 -2.371 1670 H VAL 102 H VAL 102 10.670 -2.862 -3.491 1671 HA VAL 102 HA VAL 102 9.347 -0.940 -1.733 1672 HB VAL 102 HB VAL 102 11.613 -0.654 -3.716 1673 1HG1 VAL 102 1HG1 VAL 102 9.912 1.326 -2.465 1674 2HG1 VAL 102 2HG1 VAL 102 11.596 1.516 -1.921 1675 3HG1 VAL 102 3HG1 VAL 102 11.214 1.541 -3.660 1676 1HG2 VAL 102 1HG2 VAL 102 13.108 -0.856 -1.993 1677 2HG2 VAL 102 2HG2 VAL 102 11.958 -0.259 -0.773 1678 3HG2 VAL 102 3HG2 VAL 102 11.823 -1.926 -1.382 1679 H ILE 103 H ILE 103 7.607 0.210 -2.412 1680 HA ILE 103 HA ILE 103 7.262 0.609 -5.270 1681 HB ILE 103 HB ILE 103 5.099 -0.619 -3.560 1682 1HG1 ILE 103 1HG1 ILE 103 6.987 -2.186 -3.991 1683 2HG1 ILE 103 2HG1 ILE 103 5.463 -2.694 -4.690 1684 1HG2 ILE 103 1HG2 ILE 103 3.966 -0.919 -5.762 1685 2HG2 ILE 103 2HG2 ILE 103 4.168 0.780 -5.272 1686 3HG2 ILE 103 3HG2 ILE 103 5.242 0.076 -6.504 1687 1HD1 ILE 103 1HD1 ILE 103 7.707 -2.744 -6.128 1688 2HD1 ILE 103 2HD1 ILE 103 6.159 -2.291 -6.881 1689 3HD1 ILE 103 3HD1 ILE 103 7.314 -1.028 -6.391 1690 H ASP 104 H ASP 104 6.168 2.530 -5.768 1691 HA ASP 104 HA ASP 104 5.757 4.202 -3.433 1692 1HB ASP 104 1HB ASP 104 7.171 4.658 -5.761 1693 2HB ASP 104 2HB ASP 104 5.632 5.389 -6.170 1694 H TYR 105 H TYR 105 3.744 5.435 -3.247 1695 HA TYR 105 HA TYR 105 1.613 4.460 -5.028 1696 1HB TYR 105 1HB TYR 105 1.480 3.682 -2.647 1697 2HB TYR 105 2HB TYR 105 1.741 5.317 -2.072 1698 HD1 TYR 105 HD1 TYR 105 -0.702 2.874 -3.022 1699 HD2 TYR 105 HD2 TYR 105 -0.060 7.084 -2.616 1700 HE1 TYR 105 HE1 TYR 105 -3.215 3.257 -2.954 1701 HE2 TYR 105 HE2 TYR 105 -2.575 7.454 -2.549 1702 HH TYR 105 HH TYR 105 -4.528 6.499 -2.399 1703 H LYS 106 H LYS 106 0.885 6.008 -6.393 1704 HA LYS 106 HA LYS 106 0.879 8.761 -5.366 1705 1HB LYS 106 1HB LYS 106 2.614 8.233 -7.152 1706 2HB LYS 106 2HB LYS 106 1.282 7.975 -8.261 1707 1HG LYS 106 1HG LYS 106 1.755 10.247 -8.618 1708 2HG LYS 106 2HG LYS 106 0.448 10.341 -7.454 1709 1HD LYS 106 1HD LYS 106 2.587 10.169 -5.744 1710 2HD LYS 106 2HD LYS 106 3.353 10.968 -7.103 1711 1HE LYS 106 1HE LYS 106 0.806 12.242 -6.724 1712 2HE LYS 106 2HE LYS 106 1.535 12.088 -5.138 1713 1HZ LYS 106 1HZ LYS 106 2.614 13.910 -5.776 1714 2HZ LYS 106 2HZ LYS 106 3.599 12.897 -6.596 1715 3HZ LYS 106 3HZ LYS 106 2.383 13.661 -7.373 1716 HA PRO 107 HA PRO 107 -3.384 8.321 -6.100 1717 1HB PRO 107 1HB PRO 107 -4.163 10.802 -5.258 1718 2HB PRO 107 2HB PRO 107 -3.910 9.455 -4.166 1719 1HG PRO 107 1HG PRO 107 -2.188 11.812 -4.631 1720 2HG PRO 107 2HG PRO 107 -2.182 10.698 -3.278 1721 1HD PRO 107 1HD PRO 107 -0.315 10.765 -5.455 1722 2HD PRO 107 2HD PRO 107 -0.379 9.581 -4.164 1723 H THR 108 H THR 108 -3.198 7.999 -8.361 1724 HA THR 108 HA THR 108 -3.658 10.531 -9.799 1725 HB THR 108 HB THR 108 -2.011 8.058 -10.373 1726 HG1 THR 108 HG1 THR 108 -1.874 10.910 -11.050 1727 1HG2 THR 108 1HG2 THR 108 -2.033 9.499 -12.762 1728 2HG2 THR 108 2HG2 THR 108 -2.851 7.938 -12.512 1729 3HG2 THR 108 3HG2 THR 108 -3.758 9.459 -12.326 1730 H SER 109 H SER 109 -5.887 10.630 -9.669 1731 HA SER 109 HA SER 109 -7.304 8.266 -10.546 1732 1HB SER 109 1HB SER 109 -8.037 10.777 -9.057 1733 2HB SER 109 2HB SER 109 -9.301 9.976 -9.969 1734 HG SER 109 HG SER 109 -7.614 8.529 -8.125 1735 H VAL 110 H VAL 110 -9.085 8.535 -12.199 1736 HA VAL 110 HA VAL 110 -8.172 10.374 -14.274 1737 HB VAL 110 HB VAL 110 -10.090 8.040 -14.416 1738 1HG1 VAL 110 1HG1 VAL 110 -10.003 10.013 -16.191 1739 2HG1 VAL 110 2HG1 VAL 110 -8.587 9.108 -16.775 1740 3HG1 VAL 110 3HG1 VAL 110 -10.178 8.315 -16.694 1741 1HG2 VAL 110 1HG2 VAL 110 -7.886 7.254 -13.736 1742 2HG2 VAL 110 2HG2 VAL 110 -8.201 6.797 -15.427 1743 3HG2 VAL 110 3HG2 VAL 110 -7.124 8.166 -15.061 1744 H SER 111 H SER 111 -9.526 11.936 -15.206 1745 HA SER 111 HA SER 111 -11.536 12.883 -13.480 1746 1HB SER 111 1HB SER 111 -11.820 14.228 -15.936 1747 2HB SER 111 2HB SER 111 -10.887 14.762 -14.552 1748 HG SER 111 HG SER 111 -9.056 14.311 -15.579 1749 H LEU 112 H LEU 112 -13.759 12.579 -13.558 1750 HA LEU 112 HA LEU 112 -14.710 10.715 -15.572 1751 1HB LEU 112 1HB LEU 112 -16.026 11.811 -13.082 1752 2HB LEU 112 2HB LEU 112 -16.702 10.587 -14.139 1753 HG LEU 112 HG LEU 112 -14.006 9.969 -13.086 1754 1HD1 LEU 112 1HD1 LEU 112 -14.922 9.259 -10.871 1755 2HD1 LEU 112 2HD1 LEU 112 -14.835 11.022 -11.103 1756 3HD1 LEU 112 3HD1 LEU 112 -16.398 10.183 -11.242 1757 1HD2 LEU 112 1HD2 LEU 112 -16.531 8.554 -13.780 1758 2HD2 LEU 112 2HD2 LEU 112 -14.840 8.154 -14.167 1759 3HD2 LEU 112 3HD2 LEU 112 -15.486 7.815 -12.543 Start of MODEL 11 1 1H GLY 1 1H GLY 1 -29.836 16.289 10.422 2 1HA GLY 1 1HA GLY 1 -29.100 15.312 8.520 3 2HA GLY 1 2HA GLY 1 -29.913 16.545 7.576 4 H SER 2 H SER 2 -26.898 15.581 9.162 5 HA SER 2 HA SER 2 -25.449 17.267 7.430 6 1HB SER 2 1HB SER 2 -25.934 18.144 10.237 7 2HB SER 2 2HB SER 2 -24.260 18.211 9.724 8 HG SER 2 HG SER 2 -25.600 19.244 7.679 9 H HIS 3 H HIS 3 -23.422 16.338 7.082 10 HA HIS 3 HA HIS 3 -22.037 14.945 9.084 11 1HB HIS 3 1HB HIS 3 -23.855 13.367 7.331 12 2HB HIS 3 2HB HIS 3 -22.246 12.718 7.583 13 HD1 HIS 3 HD1 HIS 3 -21.583 12.848 10.395 14 HD2 HIS 3 HD2 HIS 3 -25.582 12.416 9.203 15 HE1 HIS 3 HE1 HIS 3 -22.828 11.885 12.403 16 HE2 HIS 3 HE2 HIS 3 -25.290 11.693 11.628 17 H MET 4 H MET 4 -20.351 16.305 8.360 18 HA MET 4 HA MET 4 -19.130 15.336 5.937 19 1HB MET 4 1HB MET 4 -20.654 17.671 5.862 20 2HB MET 4 2HB MET 4 -19.064 18.315 6.222 21 1HG MET 4 1HG MET 4 -18.191 16.865 4.253 22 2HG MET 4 2HG MET 4 -19.871 16.610 3.826 23 1HE MET 4 1HE MET 4 -17.442 19.142 1.941 24 2HE MET 4 2HE MET 4 -17.058 19.883 3.513 25 3HE MET 4 3HE MET 4 -16.974 18.115 3.317 26 H GLU 5 H GLU 5 -17.600 14.405 7.460 27 HA GLU 5 HA GLU 5 -16.044 16.406 8.887 28 1HB GLU 5 1HB GLU 5 -17.047 13.848 9.642 29 2HB GLU 5 2HB GLU 5 -15.309 13.663 9.518 30 1HG GLU 5 1HG GLU 5 -14.921 14.953 11.362 31 2HG GLU 5 2HG GLU 5 -16.057 16.186 10.850 32 H GLU 6 H GLU 6 -13.599 15.948 8.982 33 HA GLU 6 HA GLU 6 -12.779 15.344 6.280 34 1HB GLU 6 1HB GLU 6 -11.823 17.075 8.457 35 2HB GLU 6 2HB GLU 6 -10.517 16.159 7.733 36 1HG GLU 6 1HG GLU 6 -11.608 16.908 5.437 37 2HG GLU 6 2HG GLU 6 -12.395 18.137 6.408 38 H ALA 7 H ALA 7 -12.065 13.321 5.780 39 HA ALA 7 HA ALA 7 -10.592 11.877 7.866 40 1HB ALA 7 1HB ALA 7 -12.897 10.911 6.143 41 2HB ALA 7 2HB ALA 7 -11.753 9.793 6.924 42 3HB ALA 7 3HB ALA 7 -12.755 10.878 7.917 43 H LYS 8 H LYS 8 -8.815 10.679 7.116 44 HA LYS 8 HA LYS 8 -8.037 11.352 4.396 45 1HB LYS 8 1HB LYS 8 -6.665 10.860 6.936 46 2HB LYS 8 2HB LYS 8 -5.929 10.002 5.597 47 1HG LYS 8 1HG LYS 8 -5.398 11.969 4.435 48 2HG LYS 8 2HG LYS 8 -6.712 12.880 5.152 49 1HD LYS 8 1HD LYS 8 -4.502 11.887 6.959 50 2HD LYS 8 2HD LYS 8 -4.175 13.263 5.924 51 1HE LYS 8 1HE LYS 8 -6.645 13.958 6.961 52 2HE LYS 8 2HE LYS 8 -5.958 13.066 8.303 53 1HZ LYS 8 1HZ LYS 8 -3.981 14.474 8.087 54 2HZ LYS 8 2HZ LYS 8 -4.730 15.355 6.934 55 3HZ LYS 8 3HZ LYS 8 -5.323 15.328 8.456 56 H GLY 9 H GLY 9 -10.223 9.485 4.745 57 1HA GLY 9 1HA GLY 9 -9.452 7.467 2.992 58 2HA GLY 9 2HA GLY 9 -9.335 6.804 4.611 59 HA PRO 10 HA PRO 10 -10.247 7.197 6.419 60 1HB PRO 10 1HB PRO 10 -11.552 5.488 8.106 61 2HB PRO 10 2HB PRO 10 -11.782 7.225 8.135 62 1HG PRO 10 1HG PRO 10 -13.579 5.135 7.066 63 2HG PRO 10 2HG PRO 10 -13.954 6.794 7.490 64 1HD PRO 10 1HD PRO 10 -13.595 5.736 4.848 65 2HD PRO 10 2HD PRO 10 -13.855 7.415 5.279 66 H VAL 11 H VAL 11 -11.880 4.251 5.371 67 HA VAL 11 HA VAL 11 -9.350 2.848 5.724 68 HB VAL 11 HB VAL 11 -12.217 2.036 5.329 69 1HG1 VAL 11 1HG1 VAL 11 -9.755 0.296 5.009 70 2HG1 VAL 11 2HG1 VAL 11 -11.381 -0.349 5.337 71 3HG1 VAL 11 3HG1 VAL 11 -11.070 0.561 3.839 72 1HG2 VAL 11 1HG2 VAL 11 -12.005 0.993 7.446 73 2HG2 VAL 11 2HG2 VAL 11 -10.229 1.110 7.415 74 3HG2 VAL 11 3HG2 VAL 11 -11.214 2.579 7.611 75 H LYS 12 H LYS 12 -8.058 2.238 4.037 76 HA LYS 12 HA LYS 12 -9.143 2.759 1.356 77 1HB LYS 12 1HB LYS 12 -6.365 3.224 2.464 78 2HB LYS 12 2HB LYS 12 -6.716 3.203 0.748 79 1HG LYS 12 1HG LYS 12 -8.669 4.912 1.516 80 2HG LYS 12 2HG LYS 12 -7.554 5.202 2.837 81 1HD LYS 12 1HD LYS 12 -5.752 5.383 0.871 82 2HD LYS 12 2HD LYS 12 -7.162 5.702 -0.120 83 1HE LYS 12 1HE LYS 12 -6.674 7.220 2.475 84 2HE LYS 12 2HE LYS 12 -5.957 7.743 0.964 85 1HZ LYS 12 1HZ LYS 12 -8.031 8.129 0.056 86 2HZ LYS 12 2HZ LYS 12 -8.827 7.218 1.154 87 3HZ LYS 12 3HZ LYS 12 -8.205 8.665 1.589 88 H HIS 13 H HIS 13 -9.463 0.947 0.192 89 HA HIS 13 HA HIS 13 -8.150 -1.468 1.088 90 1HB HIS 13 1HB HIS 13 -10.622 -1.305 0.582 91 2HB HIS 13 2HB HIS 13 -10.203 -1.127 -1.110 92 HD1 HIS 13 HD1 HIS 13 -10.884 -3.655 1.433 93 HD2 HIS 13 HD2 HIS 13 -8.706 -3.485 -2.147 94 HE1 HIS 13 HE1 HIS 13 -10.495 -6.073 0.718 95 HE2 HIS 13 HE2 HIS 13 -9.200 -5.904 -1.516 96 H VAL 14 H VAL 14 -6.177 -1.983 0.296 97 HA VAL 14 HA VAL 14 -5.530 -1.005 -2.392 98 HB VAL 14 HB VAL 14 -3.902 -1.672 0.048 99 1HG1 VAL 14 1HG1 VAL 14 -2.499 -2.714 -1.440 100 2HG1 VAL 14 2HG1 VAL 14 -3.059 -1.743 -2.823 101 3HG1 VAL 14 3HG1 VAL 14 -1.943 -1.034 -1.632 102 1HG2 VAL 14 1HG2 VAL 14 -3.659 0.543 0.246 103 2HG2 VAL 14 2HG2 VAL 14 -3.212 0.720 -1.468 104 3HG2 VAL 14 3HG2 VAL 14 -4.927 0.706 -0.992 105 H LEU 15 H LEU 15 -5.319 -2.438 -4.045 106 HA LEU 15 HA LEU 15 -4.863 -5.237 -3.334 107 1HB LEU 15 1HB LEU 15 -6.553 -5.905 -5.017 108 2HB LEU 15 2HB LEU 15 -7.207 -5.160 -3.572 109 HG LEU 15 HG LEU 15 -6.909 -3.014 -5.319 110 1HD1 LEU 15 1HD1 LEU 15 -8.182 -5.242 -6.910 111 2HD1 LEU 15 2HD1 LEU 15 -7.749 -3.598 -7.437 112 3HD1 LEU 15 3HD1 LEU 15 -6.471 -4.788 -7.095 113 1HD2 LEU 15 1HD2 LEU 15 -9.553 -3.780 -5.587 114 2HD2 LEU 15 2HD2 LEU 15 -9.056 -4.536 -4.054 115 3HD2 LEU 15 3HD2 LEU 15 -8.869 -2.781 -4.283 116 H LEU 16 H LEU 16 -3.186 -6.067 -4.464 117 HA LEU 16 HA LEU 16 -2.436 -4.625 -6.912 118 1HB LEU 16 1HB LEU 16 -0.207 -4.902 -6.414 119 2HB LEU 16 2HB LEU 16 -0.922 -4.506 -4.864 120 HG LEU 16 HG LEU 16 -0.897 -7.371 -5.200 121 1HD1 LEU 16 1HD1 LEU 16 0.964 -7.676 -6.394 122 2HD1 LEU 16 2HD1 LEU 16 1.456 -5.973 -6.239 123 3HD1 LEU 16 3HD1 LEU 16 1.834 -7.130 -4.940 124 1HD2 LEU 16 1HD2 LEU 16 -0.905 -6.901 -3.009 125 2HD2 LEU 16 2HD2 LEU 16 0.864 -6.812 -3.189 126 3HD2 LEU 16 3HD2 LEU 16 -0.111 -5.324 -3.237 127 H ALA 17 H ALA 17 -1.768 -5.871 -8.740 128 HA ALA 17 HA ALA 17 -1.947 -8.739 -8.564 129 1HB ALA 17 1HB ALA 17 -3.927 -7.167 -10.263 130 2HB ALA 17 2HB ALA 17 -3.767 -8.939 -10.192 131 3HB ALA 17 3HB ALA 17 -4.327 -8.038 -8.763 132 H SER 18 H SER 18 -0.863 -9.749 -10.305 133 HA SER 18 HA SER 18 0.539 -7.833 -11.988 134 1HB SER 18 1HB SER 18 1.351 -10.727 -11.552 135 2HB SER 18 2HB SER 18 2.346 -9.400 -12.119 136 HG SER 18 HG SER 18 2.472 -10.169 -9.739 137 H PHE 19 H PHE 19 0.448 -8.020 -14.253 138 HA PHE 19 HA PHE 19 -1.634 -9.763 -15.236 139 1HB PHE 19 1HB PHE 19 0.176 -7.547 -16.347 140 2HB PHE 19 2HB PHE 19 -0.916 -8.429 -17.396 141 HD1 PHE 19 HD1 PHE 19 -3.415 -8.383 -16.808 142 HD2 PHE 19 HD2 PHE 19 -0.587 -5.697 -15.137 143 HE1 PHE 19 HE1 PHE 19 -5.271 -6.803 -16.206 144 HE2 PHE 19 HE2 PHE 19 -2.442 -4.117 -14.536 145 HZ PHE 19 HZ PHE 19 -4.762 -4.689 -15.077 146 H LYS 20 H LYS 20 -1.185 -11.807 -15.897 147 HA LYS 20 HA LYS 20 1.321 -12.871 -16.136 148 1HB LYS 20 1HB LYS 20 0.249 -14.748 -17.226 149 2HB LYS 20 2HB LYS 20 -0.759 -14.163 -15.918 150 1HG LYS 20 1HG LYS 20 -1.431 -12.740 -18.371 151 2HG LYS 20 2HG LYS 20 -1.474 -14.467 -18.668 152 1HD LYS 20 1HD LYS 20 -2.803 -13.315 -16.193 153 2HD LYS 20 2HD LYS 20 -3.629 -13.262 -17.738 154 1HE LYS 20 1HE LYS 20 -4.357 -15.366 -17.239 155 2HE LYS 20 2HE LYS 20 -2.743 -15.895 -17.671 156 1HZ LYS 20 1HZ LYS 20 -3.055 -16.697 -15.556 157 2HZ LYS 20 2HZ LYS 20 -2.199 -15.336 -15.268 158 3HZ LYS 20 3HZ LYS 20 -3.811 -15.356 -15.009 159 H ASP 21 H ASP 21 2.345 -13.795 -18.205 160 HA ASP 21 HA ASP 21 2.618 -11.562 -19.990 161 1HB ASP 21 1HB ASP 21 4.250 -13.802 -19.092 162 2HB ASP 21 2HB ASP 21 4.211 -13.782 -20.843 163 H GLY 22 H GLY 22 0.958 -11.553 -21.554 164 1HA GLY 22 1HA GLY 22 0.924 -13.276 -23.686 165 2HA GLY 22 2HA GLY 22 -0.216 -13.966 -22.547 166 H VAL 23 H VAL 23 -0.920 -11.279 -21.362 167 HA VAL 23 HA VAL 23 -2.943 -10.631 -23.290 168 HB VAL 23 HB VAL 23 -3.274 -10.807 -20.816 169 1HG1 VAL 23 1HG1 VAL 23 -1.117 -9.585 -20.262 170 2HG1 VAL 23 2HG1 VAL 23 -1.968 -8.077 -20.673 171 3HG1 VAL 23 3HG1 VAL 23 -2.553 -9.091 -19.333 172 1HG2 VAL 23 1HG2 VAL 23 -4.019 -8.036 -21.749 173 2HG2 VAL 23 2HG2 VAL 23 -4.724 -9.483 -22.507 174 3HG2 VAL 23 3HG2 VAL 23 -4.960 -9.185 -20.768 175 H SER 24 H SER 24 -3.080 -8.818 -24.593 176 HA SER 24 HA SER 24 -0.655 -7.557 -25.185 177 1HB SER 24 1HB SER 24 -3.453 -7.506 -26.167 178 2HB SER 24 2HB SER 24 -2.611 -5.983 -26.372 179 HG SER 24 HG SER 24 -2.424 -8.107 -27.944 180 HA PRO 25 HA PRO 25 -0.894 -4.017 -22.666 181 1HB PRO 25 1HB PRO 25 0.242 -2.057 -24.195 182 2HB PRO 25 2HB PRO 25 1.177 -3.264 -23.335 183 1HG PRO 25 1HG PRO 25 0.596 -3.084 -26.228 184 2HG PRO 25 2HG PRO 25 1.846 -4.005 -25.414 185 1HD PRO 25 1HD PRO 25 -0.605 -5.025 -26.502 186 2HD PRO 25 2HD PRO 25 0.590 -5.923 -25.587 187 H GLU 26 H GLU 26 -2.187 -3.547 -25.875 188 HA GLU 26 HA GLU 26 -3.573 -1.223 -25.230 189 1HB GLU 26 1HB GLU 26 -3.037 -2.206 -27.551 190 2HB GLU 26 2HB GLU 26 -4.407 -3.274 -27.319 191 1HG GLU 26 1HG GLU 26 -5.811 -1.156 -26.845 192 2HG GLU 26 2HG GLU 26 -4.439 -0.227 -27.415 193 H LYS 27 H LYS 27 -4.214 -4.664 -24.684 194 HA LYS 27 HA LYS 27 -7.003 -4.304 -24.186 195 1HB LYS 27 1HB LYS 27 -5.317 -6.452 -24.724 196 2HB LYS 27 2HB LYS 27 -5.765 -6.696 -23.047 197 1HG LYS 27 1HG LYS 27 -8.214 -6.194 -23.839 198 2HG LYS 27 2HG LYS 27 -7.600 -6.455 -25.459 199 1HD LYS 27 1HD LYS 27 -7.196 -8.730 -25.102 200 2HD LYS 27 2HD LYS 27 -6.919 -8.526 -23.383 201 1HE LYS 27 1HE LYS 27 -9.342 -8.158 -23.001 202 2HE LYS 27 2HE LYS 27 -9.652 -8.248 -24.724 203 1HZ LYS 27 1HZ LYS 27 -10.086 -10.350 -23.847 204 2HZ LYS 27 2HZ LYS 27 -8.650 -10.514 -24.606 205 3HZ LYS 27 3HZ LYS 27 -8.705 -10.402 -22.977 206 H ILE 28 H ILE 28 -3.974 -4.143 -22.337 207 HA ILE 28 HA ILE 28 -5.128 -4.386 -19.790 208 HB ILE 28 HB ILE 28 -2.605 -4.256 -20.834 209 1HG1 ILE 28 1HG1 ILE 28 -3.413 -3.955 -17.926 210 2HG1 ILE 28 2HG1 ILE 28 -3.373 -5.463 -18.817 211 1HG2 ILE 28 1HG2 ILE 28 -2.838 -1.742 -20.876 212 2HG2 ILE 28 2HG2 ILE 28 -2.874 -1.795 -19.097 213 3HG2 ILE 28 3HG2 ILE 28 -1.440 -2.377 -19.976 214 1HD1 ILE 28 1HD1 ILE 28 -0.840 -4.162 -19.228 215 2HD1 ILE 28 2HD1 ILE 28 -1.201 -4.129 -17.486 216 3HD1 ILE 28 3HD1 ILE 28 -1.170 -5.679 -18.359 217 H GLU 29 H GLU 29 -4.633 -1.635 -22.038 218 HA GLU 29 HA GLU 29 -5.331 0.312 -20.153 219 1HB GLU 29 1HB GLU 29 -4.412 0.239 -22.827 220 2HB GLU 29 2HB GLU 29 -5.959 1.058 -22.912 221 1HG GLU 29 1HG GLU 29 -4.698 2.146 -20.618 222 2HG GLU 29 2HG GLU 29 -3.417 2.014 -21.806 223 H GLU 30 H GLU 30 -7.175 -1.451 -22.720 224 HA GLU 30 HA GLU 30 -9.537 -0.079 -22.405 225 1HB GLU 30 1HB GLU 30 -9.018 -2.962 -23.245 226 2HB GLU 30 2HB GLU 30 -10.577 -2.178 -23.397 227 1HG GLU 30 1HG GLU 30 -9.584 -0.430 -24.859 228 2HG GLU 30 2HG GLU 30 -7.996 -1.146 -24.666 229 H LEU 31 H LEU 31 -8.066 -2.708 -20.506 230 HA LEU 31 HA LEU 31 -10.455 -3.351 -19.100 231 1HB LEU 31 1HB LEU 31 -7.829 -4.374 -19.383 232 2HB LEU 31 2HB LEU 31 -8.069 -4.058 -17.676 233 HG LEU 31 HG LEU 31 -10.169 -5.564 -19.209 234 1HD1 LEU 31 1HD1 LEU 31 -8.976 -7.683 -18.527 235 2HD1 LEU 31 2HD1 LEU 31 -8.236 -6.770 -19.864 236 3HD1 LEU 31 3HD1 LEU 31 -7.536 -6.681 -18.229 237 1HD2 LEU 31 1HD2 LEU 31 -9.236 -5.918 -16.356 238 2HD2 LEU 31 2HD2 LEU 31 -10.482 -4.740 -16.834 239 3HD2 LEU 31 3HD2 LEU 31 -10.750 -6.478 -17.108 240 H ILE 32 H ILE 32 -7.646 -1.169 -18.594 241 HA ILE 32 HA ILE 32 -8.443 -0.463 -15.960 242 HB ILE 32 HB ILE 32 -6.416 0.479 -17.943 243 1HG1 ILE 32 1HG1 ILE 32 -6.252 -0.534 -15.088 244 2HG1 ILE 32 2HG1 ILE 32 -5.939 -1.473 -16.534 245 1HG2 ILE 32 1HG2 ILE 32 -5.689 2.223 -16.328 246 2HG2 ILE 32 2HG2 ILE 32 -7.259 2.566 -17.092 247 3HG2 ILE 32 3HG2 ILE 32 -7.198 1.962 -15.419 248 1HD1 ILE 32 1HD1 ILE 32 -4.167 0.330 -17.130 249 2HD1 ILE 32 2HD1 ILE 32 -4.345 0.874 -15.445 250 3HD1 ILE 32 3HD1 ILE 32 -3.783 -0.779 -15.792 251 H LYS 33 H LYS 33 -8.731 1.088 -19.222 252 HA LYS 33 HA LYS 33 -9.955 3.409 -18.432 253 1HB LYS 33 1HB LYS 33 -9.964 3.760 -20.630 254 2HB LYS 33 2HB LYS 33 -9.308 2.148 -20.829 255 1HG LYS 33 1HG LYS 33 -11.713 1.265 -20.809 256 2HG LYS 33 2HG LYS 33 -12.258 2.930 -20.844 257 1HD LYS 33 1HD LYS 33 -10.226 2.101 -22.907 258 2HD LYS 33 2HD LYS 33 -11.859 1.496 -23.101 259 1HE LYS 33 1HE LYS 33 -12.781 3.663 -23.357 260 2HE LYS 33 2HE LYS 33 -11.444 4.442 -22.535 261 1HZ LYS 33 1HZ LYS 33 -10.660 4.808 -24.551 262 2HZ LYS 33 2HZ LYS 33 -10.300 3.219 -24.660 263 3HZ LYS 33 3HZ LYS 33 -11.707 3.782 -25.270 264 H GLY 34 H GLY 34 -11.351 0.133 -18.922 265 1HA GLY 34 1HA GLY 34 -14.054 0.861 -18.688 266 2HA GLY 34 2HA GLY 34 -13.362 -0.722 -18.395 267 H TYR 35 H TYR 35 -11.728 -0.479 -16.227 268 HA TYR 35 HA TYR 35 -13.291 -0.646 -14.064 269 1HB TYR 35 1HB TYR 35 -11.099 -1.031 -13.386 270 2HB TYR 35 2HB TYR 35 -10.493 -0.164 -14.783 271 HD1 TYR 35 HD1 TYR 35 -12.243 0.776 -11.586 272 HD2 TYR 35 HD2 TYR 35 -8.989 1.512 -14.264 273 HE1 TYR 35 HE1 TYR 35 -11.411 2.642 -10.073 274 HE2 TYR 35 HE2 TYR 35 -8.168 3.376 -12.742 275 HH TYR 35 HH TYR 35 -8.524 3.763 -10.018 276 H ALA 36 H ALA 36 -11.883 2.405 -15.394 277 HA ALA 36 HA ALA 36 -12.769 4.041 -13.297 278 1HB ALA 36 1HB ALA 36 -11.990 4.513 -16.191 279 2HB ALA 36 2HB ALA 36 -12.462 5.843 -15.106 280 3HB ALA 36 3HB ALA 36 -11.041 4.841 -14.721 281 H ASN 37 H ASN 37 -14.223 3.079 -16.464 282 HA ASN 37 HA ASN 37 -16.395 4.742 -16.341 283 1HB ASN 37 1HB ASN 37 -15.547 3.080 -18.216 284 2HB ASN 37 2HB ASN 37 -16.572 1.899 -17.424 285 1HD2 ASN 37 1HD2 ASN 37 -17.536 2.004 -19.626 286 2HD2 ASN 37 2HD2 ASN 37 -18.825 3.126 -19.911 287 H LEU 38 H LEU 38 -15.797 1.434 -15.010 288 HA LEU 38 HA LEU 38 -18.383 0.875 -14.170 289 1HB LEU 38 1HB LEU 38 -15.706 -0.176 -13.818 290 2HB LEU 38 2HB LEU 38 -16.634 -0.309 -12.338 291 HG LEU 38 HG LEU 38 -18.407 -1.202 -14.288 292 1HD1 LEU 38 1HD1 LEU 38 -17.381 -2.421 -15.895 293 2HD1 LEU 38 2HD1 LEU 38 -16.099 -1.209 -15.656 294 3HD1 LEU 38 3HD1 LEU 38 -15.974 -2.803 -14.873 295 1HD2 LEU 38 1HD2 LEU 38 -16.911 -2.273 -12.023 296 2HD2 LEU 38 2HD2 LEU 38 -18.590 -2.566 -12.535 297 3HD2 LEU 38 3HD2 LEU 38 -17.262 -3.504 -13.259 298 H VAL 39 H VAL 39 -15.690 2.664 -12.576 299 HA VAL 39 HA VAL 39 -16.978 2.980 -10.114 300 HB VAL 39 HB VAL 39 -14.872 4.613 -11.541 301 1HG1 VAL 39 1HG1 VAL 39 -14.747 6.052 -9.825 302 2HG1 VAL 39 2HG1 VAL 39 -16.360 5.457 -9.362 303 3HG1 VAL 39 3HG1 VAL 39 -14.904 4.756 -8.614 304 1HG2 VAL 39 1HG2 VAL 39 -13.696 2.726 -11.150 305 2HG2 VAL 39 2HG2 VAL 39 -13.629 3.328 -9.477 306 3HG2 VAL 39 3HG2 VAL 39 -14.858 2.127 -9.942 307 H ASN 40 H ASN 40 -17.193 4.711 -13.229 308 HA ASN 40 HA ASN 40 -18.525 6.935 -12.181 309 1HB ASN 40 1HB ASN 40 -17.433 7.022 -14.387 310 2HB ASN 40 2HB ASN 40 -18.437 5.718 -14.989 311 1HD2 ASN 40 1HD2 ASN 40 -19.039 7.126 -16.690 312 2HD2 ASN 40 2HD2 ASN 40 -20.266 8.330 -16.484 313 H LEU 41 H LEU 41 -19.487 3.735 -13.514 314 HA LEU 41 HA LEU 41 -22.267 4.354 -13.603 315 1HB LEU 41 1HB LEU 41 -20.495 2.165 -14.320 316 2HB LEU 41 2HB LEU 41 -21.964 1.586 -13.561 317 HG LEU 41 HG LEU 41 -22.207 1.626 -15.971 318 1HD1 LEU 41 1HD1 LEU 41 -24.359 2.185 -15.823 319 2HD1 LEU 41 2HD1 LEU 41 -24.003 2.687 -14.153 320 3HD1 LEU 41 3HD1 LEU 41 -23.981 3.888 -15.467 321 1HD2 LEU 41 1HD2 LEU 41 -21.395 3.215 -17.293 322 2HD2 LEU 41 2HD2 LEU 41 -22.302 4.482 -16.432 323 3HD2 LEU 41 3HD2 LEU 41 -20.698 3.981 -15.845 324 H ILE 42 H ILE 42 -20.326 2.077 -11.530 325 HA ILE 42 HA ILE 42 -22.228 1.405 -9.747 326 HB ILE 42 HB ILE 42 -19.302 1.984 -9.298 327 1HG1 ILE 42 1HG1 ILE 42 -20.538 -0.745 -9.477 328 2HG1 ILE 42 2HG1 ILE 42 -20.253 0.158 -10.952 329 1HG2 ILE 42 1HG2 ILE 42 -20.601 2.077 -7.173 330 2HG2 ILE 42 2HG2 ILE 42 -21.150 0.413 -7.485 331 3HG2 ILE 42 3HG2 ILE 42 -19.419 0.748 -7.244 332 1HD1 ILE 42 1HD1 ILE 42 -18.365 -1.420 -9.809 333 2HD1 ILE 42 2HD1 ILE 42 -17.957 0.025 -10.766 334 3HD1 ILE 42 3HD1 ILE 42 -17.991 0.115 -8.988 335 H GLU 43 H GLU 43 -23.620 2.497 -8.479 336 HA GLU 43 HA GLU 43 -23.504 5.246 -8.254 337 1HB GLU 43 1HB GLU 43 -25.282 3.138 -7.527 338 2HB GLU 43 2HB GLU 43 -25.010 4.065 -6.065 339 1HG GLU 43 1HG GLU 43 -25.460 6.180 -7.495 340 2HG GLU 43 2HG GLU 43 -26.034 5.092 -8.744 341 HA PRO 44 HA PRO 44 -21.753 4.495 -3.913 342 1HB PRO 44 1HB PRO 44 -21.026 1.978 -3.133 343 2HB PRO 44 2HB PRO 44 -22.583 2.688 -2.752 344 1HG PRO 44 1HG PRO 44 -21.931 0.618 -4.759 345 2HG PRO 44 2HG PRO 44 -23.490 1.028 -4.072 346 1HD PRO 44 1HD PRO 44 -22.520 1.740 -6.677 347 2HD PRO 44 2HD PRO 44 -24.030 2.247 -5.946 348 H MET 45 H MET 45 -19.909 5.597 -4.004 349 HA MET 45 HA MET 45 -17.553 4.129 -4.389 350 1HB MET 45 1HB MET 45 -18.843 5.309 -6.750 351 2HB MET 45 2HB MET 45 -17.284 6.064 -6.485 352 1HG MET 45 1HG MET 45 -17.782 3.054 -6.694 353 2HG MET 45 2HG MET 45 -17.079 4.058 -7.947 354 1HE MET 45 1HE MET 45 -14.338 1.698 -6.088 355 2HE MET 45 2HE MET 45 -16.027 1.468 -5.575 356 3HE MET 45 3HE MET 45 -15.640 1.667 -7.301 357 H LYS 46 H LYS 46 -16.969 5.143 -2.414 358 HA LYS 46 HA LYS 46 -17.224 7.889 -1.961 359 1HB LYS 46 1HB LYS 46 -15.435 5.786 -0.712 360 2HB LYS 46 2HB LYS 46 -15.563 7.430 -0.118 361 1HG LYS 46 1HG LYS 46 -18.237 6.373 -0.521 362 2HG LYS 46 2HG LYS 46 -17.312 5.220 0.420 363 1HD LYS 46 1HD LYS 46 -16.936 8.054 1.254 364 2HD LYS 46 2HD LYS 46 -18.571 7.457 1.458 365 1HE LYS 46 1HE LYS 46 -17.618 5.441 2.685 366 2HE LYS 46 2HE LYS 46 -16.033 6.182 2.583 367 1HZ LYS 46 1HZ LYS 46 -18.131 7.853 3.628 368 2HZ LYS 46 2HZ LYS 46 -17.688 6.598 4.575 369 3HZ LYS 46 3HZ LYS 46 -16.578 7.704 4.112 370 H ALA 47 H ALA 47 -14.283 5.934 -2.835 371 HA ALA 47 HA ALA 47 -13.413 7.969 -4.628 372 1HB ALA 47 1HB ALA 47 -12.201 7.729 -1.869 373 2HB ALA 47 2HB ALA 47 -11.210 8.249 -3.253 374 3HB ALA 47 3HB ALA 47 -12.643 9.193 -2.779 375 H PHE 48 H PHE 48 -11.470 7.271 -5.815 376 HA PHE 48 HA PHE 48 -10.649 4.534 -5.263 377 1HB PHE 48 1HB PHE 48 -12.663 4.782 -6.951 378 2HB PHE 48 2HB PHE 48 -11.514 5.552 -8.027 379 HD1 PHE 48 HD1 PHE 48 -13.093 2.580 -7.430 380 HD2 PHE 48 HD2 PHE 48 -9.189 4.077 -8.155 381 HE1 PHE 48 HE1 PHE 48 -12.390 0.329 -8.287 382 HE2 PHE 48 HE2 PHE 48 -8.486 1.826 -9.013 383 HZ PHE 48 HZ PHE 48 -10.094 -0.021 -9.069 384 H HIS 49 H HIS 49 -8.456 4.462 -5.312 385 HA HIS 49 HA HIS 49 -7.134 6.355 -7.117 386 1HB HIS 49 1HB HIS 49 -6.870 6.003 -4.240 387 2HB HIS 49 2HB HIS 49 -5.335 5.766 -5.050 388 HD1 HIS 49 HD1 HIS 49 -7.403 8.375 -3.673 389 HD2 HIS 49 HD2 HIS 49 -4.769 8.086 -6.925 390 HE1 HIS 49 HE1 HIS 49 -6.767 10.767 -4.293 391 HE2 HIS 49 HE2 HIS 49 -5.105 10.523 -6.261 392 H TRP 50 H TRP 50 -5.056 5.608 -8.004 393 HA TRP 50 HA TRP 50 -4.506 2.777 -7.686 394 1HB TRP 50 1HB TRP 50 -4.853 2.120 -9.862 395 2HB TRP 50 2HB TRP 50 -6.257 3.112 -9.527 396 HD1 TRP 50 HD1 TRP 50 -6.234 5.649 -10.700 397 HE1 TRP 50 HE1 TRP 50 -5.159 6.576 -12.925 398 HE3 TRP 50 HE3 TRP 50 -2.908 1.849 -11.295 399 HZ2 TRP 50 HZ2 TRP 50 -3.084 5.637 -14.645 400 HZ3 TRP 50 HZ3 TRP 50 -1.393 1.931 -13.274 401 HH2 TRP 50 HH2 TRP 50 -1.444 3.740 -14.916 402 H GLY 51 H GLY 51 -2.304 2.297 -8.245 403 1HA GLY 51 1HA GLY 51 -0.682 4.589 -9.138 404 2HA GLY 51 2HA GLY 51 -0.280 3.754 -7.651 405 H LYS 52 H LYS 52 1.486 3.910 -9.908 406 HA LYS 52 HA LYS 52 1.451 1.106 -10.788 407 1HB LYS 52 1HB LYS 52 2.331 1.731 -12.873 408 2HB LYS 52 2HB LYS 52 1.050 2.885 -12.562 409 1HG LYS 52 1HG LYS 52 2.527 4.593 -12.742 410 2HG LYS 52 2HG LYS 52 3.440 3.961 -11.387 411 1HD LYS 52 1HD LYS 52 4.774 4.209 -13.540 412 2HD LYS 52 2HD LYS 52 4.838 2.611 -12.823 413 1HE LYS 52 1HE LYS 52 3.832 1.650 -14.629 414 2HE LYS 52 2HE LYS 52 2.553 2.847 -14.653 415 1HZ LYS 52 1HZ LYS 52 4.134 4.358 -15.728 416 2HZ LYS 52 2HZ LYS 52 5.240 3.159 -15.797 417 3HZ LYS 52 3HZ LYS 52 3.837 3.024 -16.621 418 H ASP 53 H ASP 53 3.568 0.059 -10.969 419 HA ASP 53 HA ASP 53 5.108 0.560 -8.726 420 1HB ASP 53 1HB ASP 53 6.697 -1.093 -9.758 421 2HB ASP 53 2HB ASP 53 5.036 -1.652 -9.739 422 H VAL 54 H VAL 54 6.589 2.235 -8.453 423 HA VAL 54 HA VAL 54 7.735 3.417 -10.873 424 HB VAL 54 HB VAL 54 7.505 4.451 -8.039 425 1HG1 VAL 54 1HG1 VAL 54 8.252 6.608 -8.979 426 2HG1 VAL 54 2HG1 VAL 54 9.494 5.343 -9.141 427 3HG1 VAL 54 3HG1 VAL 54 8.520 5.821 -10.553 428 1HG2 VAL 54 1HG2 VAL 54 5.783 4.667 -10.455 429 2HG2 VAL 54 2HG2 VAL 54 5.355 4.718 -8.728 430 3HG2 VAL 54 3HG2 VAL 54 6.035 6.160 -9.520 431 H SER 55 H SER 55 9.754 2.804 -11.429 432 HA SER 55 HA SER 55 11.869 2.881 -9.707 433 1HB SER 55 1HB SER 55 10.359 0.438 -9.409 434 2HB SER 55 2HB SER 55 11.900 0.038 -10.140 435 HG SER 55 HG SER 55 13.009 0.910 -8.386 436 H ILE 56 H ILE 56 13.720 1.142 -10.778 437 HA ILE 56 HA ILE 56 13.611 1.869 -13.604 438 HB ILE 56 HB ILE 56 15.994 1.606 -13.594 439 1HG1 ILE 56 1HG1 ILE 56 16.604 1.225 -10.835 440 2HG1 ILE 56 2HG1 ILE 56 15.513 -0.060 -11.312 441 1HG2 ILE 56 1HG2 ILE 56 14.579 3.430 -11.831 442 2HG2 ILE 56 2HG2 ILE 56 16.251 3.150 -11.289 443 3HG2 ILE 56 3HG2 ILE 56 15.937 3.731 -12.942 444 1HD1 ILE 56 1HD1 ILE 56 18.289 0.525 -12.255 445 2HD1 ILE 56 2HD1 ILE 56 17.468 -1.039 -12.035 446 3HD1 ILE 56 3HD1 ILE 56 17.149 -0.063 -13.489 447 H GLU 57 H GLU 57 12.308 -0.518 -11.988 448 HA GLU 57 HA GLU 57 11.653 -2.508 -12.617 449 1HB GLU 57 1HB GLU 57 12.706 -1.540 -15.040 450 2HB GLU 57 2HB GLU 57 13.485 -3.097 -14.838 451 1HG GLU 57 1HG GLU 57 11.031 -3.923 -14.215 452 2HG GLU 57 2HG GLU 57 10.531 -2.474 -15.065 453 H ASN 58 H ASN 58 13.324 -2.347 -10.521 454 HA ASN 58 HA ASN 58 14.739 -4.812 -10.731 455 1HB ASN 58 1HB ASN 58 16.222 -2.475 -11.184 456 2HB ASN 58 2HB ASN 58 16.470 -2.749 -9.471 457 1HD2 ASN 58 1HD2 ASN 58 17.841 -3.227 -12.302 458 2HD2 ASN 58 2HD2 ASN 58 18.662 -4.737 -12.085 459 H LEU 59 H LEU 59 14.791 -5.814 -8.645 460 HA LEU 59 HA LEU 59 14.718 -5.941 -6.397 461 1HB LEU 59 1HB LEU 59 15.353 -3.366 -6.559 462 2HB LEU 59 2HB LEU 59 13.700 -3.167 -6.014 463 HG LEU 59 HG LEU 59 15.628 -4.967 -4.547 464 1HD1 LEU 59 1HD1 LEU 59 16.665 -2.735 -4.762 465 2HD1 LEU 59 2HD1 LEU 59 15.218 -2.011 -4.021 466 3HD1 LEU 59 3HD1 LEU 59 16.229 -3.136 -3.084 467 1HD2 LEU 59 1HD2 LEU 59 12.956 -3.730 -3.969 468 2HD2 LEU 59 2HD2 LEU 59 13.514 -5.405 -3.739 469 3HD2 LEU 59 3HD2 LEU 59 14.063 -4.124 -2.632 470 H HIS 60 H HIS 60 12.178 -4.163 -8.206 471 HA HIS 60 HA HIS 60 10.016 -4.479 -6.687 472 1HB HIS 60 1HB HIS 60 8.701 -4.501 -8.682 473 2HB HIS 60 2HB HIS 60 10.104 -3.488 -8.959 474 HD1 HIS 60 HD1 HIS 60 8.382 -6.541 -10.192 475 HD2 HIS 60 HD2 HIS 60 12.089 -4.649 -10.721 476 HE1 HIS 60 HE1 HIS 60 9.432 -7.593 -12.266 477 HE2 HIS 60 HE2 HIS 60 11.682 -6.352 -12.572 478 H GLN 61 H GLN 61 8.403 -6.097 -6.279 479 HA GLN 61 HA GLN 61 9.560 -8.743 -6.341 480 1HB GLN 61 1HB GLN 61 7.955 -7.282 -4.482 481 2HB GLN 61 2HB GLN 61 6.972 -8.625 -5.032 482 1HG GLN 61 1HG GLN 61 8.123 -9.957 -3.602 483 2HG GLN 61 2HG GLN 61 9.522 -9.768 -4.641 484 1HE2 GLN 61 1HE2 GLN 61 10.930 -7.924 -4.281 485 2HE2 GLN 61 2HE2 GLN 61 11.174 -7.320 -2.676 486 H GLY 62 H GLY 62 7.382 -6.780 -8.124 487 1HA GLY 62 1HA GLY 62 6.657 -7.764 -10.226 488 2HA GLY 62 2HA GLY 62 6.161 -9.189 -9.335 489 H TYR 63 H TYR 63 5.713 -5.939 -7.958 490 HA TYR 63 HA TYR 63 2.985 -6.353 -7.510 491 1HB TYR 63 1HB TYR 63 5.100 -4.222 -7.365 492 2HB TYR 63 2HB TYR 63 3.476 -3.581 -7.520 493 HD1 TYR 63 HD1 TYR 63 2.069 -3.411 -5.638 494 HD2 TYR 63 HD2 TYR 63 5.552 -5.888 -5.441 495 HE1 TYR 63 HE1 TYR 63 1.714 -3.724 -3.140 496 HE2 TYR 63 HE2 TYR 63 5.185 -6.192 -2.944 497 HH TYR 63 HH TYR 63 2.311 -4.868 -1.370 498 H THR 64 H THR 64 4.782 -4.640 -10.122 499 HA THR 64 HA THR 64 4.131 -3.945 -12.133 500 HB THR 64 HB THR 64 2.566 -5.284 -13.238 501 HG1 THR 64 HG1 THR 64 0.483 -5.430 -12.360 502 1HG2 THR 64 1HG2 THR 64 2.216 -6.936 -10.753 503 2HG2 THR 64 2HG2 THR 64 2.683 -7.449 -12.392 504 3HG2 THR 64 3HG2 THR 64 3.889 -6.706 -11.315 505 H HIS 65 H HIS 65 1.206 -3.868 -9.982 506 HA HIS 65 HA HIS 65 1.270 -1.024 -10.024 507 1HB HIS 65 1HB HIS 65 -0.980 -2.430 -11.490 508 2HB HIS 65 2HB HIS 65 -0.958 -0.729 -11.068 509 HD1 HIS 65 HD1 HIS 65 0.873 -3.234 -13.279 510 HD2 HIS 65 HD2 HIS 65 0.411 0.912 -12.836 511 HE1 HIS 65 HE1 HIS 65 1.982 -2.169 -15.316 512 HE2 HIS 65 HE2 HIS 65 1.618 0.375 -15.015 513 H ILE 66 H ILE 66 -1.062 -0.289 -8.975 514 HA ILE 66 HA ILE 66 -1.910 -2.298 -7.059 515 HB ILE 66 HB ILE 66 0.061 -0.412 -6.410 516 1HG1 ILE 66 1HG1 ILE 66 -1.692 -2.175 -4.675 517 2HG1 ILE 66 2HG1 ILE 66 -0.177 -2.627 -5.430 518 1HG2 ILE 66 1HG2 ILE 66 -0.894 1.037 -4.786 519 2HG2 ILE 66 2HG2 ILE 66 -1.843 1.233 -6.279 520 3HG2 ILE 66 3HG2 ILE 66 -2.491 0.265 -4.933 521 1HD1 ILE 66 1HD1 ILE 66 0.946 -0.741 -4.130 522 2HD1 ILE 66 2HD1 ILE 66 -0.588 -0.535 -3.251 523 3HD1 ILE 66 3HD1 ILE 66 0.311 -2.067 -3.127 524 H PHE 67 H PHE 67 -3.957 -1.738 -6.025 525 HA PHE 67 HA PHE 67 -5.320 0.476 -7.380 526 1HB PHE 67 1HB PHE 67 -5.997 -2.473 -7.008 527 2HB PHE 67 2HB PHE 67 -7.321 -1.325 -7.057 528 HD1 PHE 67 HD1 PHE 67 -8.330 -1.038 -9.100 529 HD2 PHE 67 HD2 PHE 67 -4.204 -2.027 -9.005 530 HE1 PHE 67 HE1 PHE 67 -8.285 -1.094 -11.609 531 HE2 PHE 67 HE2 PHE 67 -4.160 -2.083 -11.514 532 HZ PHE 67 HZ PHE 67 -6.201 -1.615 -12.786 533 H GLU 68 H GLU 68 -5.990 1.933 -5.884 534 HA GLU 68 HA GLU 68 -6.528 0.892 -3.222 535 1HB GLU 68 1HB GLU 68 -5.791 3.674 -4.213 536 2HB GLU 68 2HB GLU 68 -6.330 3.372 -2.573 537 1HG GLU 68 1HG GLU 68 -4.374 1.407 -2.942 538 2HG GLU 68 2HG GLU 68 -3.722 2.765 -3.836 539 H SER 69 H SER 69 -8.648 0.608 -2.696 540 HA SER 69 HA SER 69 -10.537 2.412 -3.997 541 1HB SER 69 1HB SER 69 -10.417 -0.393 -4.184 542 2HB SER 69 2HB SER 69 -11.697 -0.107 -3.021 543 HG SER 69 HG SER 69 -12.920 0.933 -4.529 544 H THR 70 H THR 70 -11.903 3.564 -2.635 545 HA THR 70 HA THR 70 -11.551 3.079 0.227 546 HB THR 70 HB THR 70 -12.449 5.410 -1.517 547 HG1 THR 70 HG1 THR 70 -10.500 4.817 0.598 548 1HG2 THR 70 1HG2 THR 70 -12.450 5.340 1.541 549 2HG2 THR 70 2HG2 THR 70 -12.937 6.694 0.494 550 3HG2 THR 70 3HG2 THR 70 -13.939 5.225 0.573 551 H PHE 71 H PHE 71 -13.125 2.389 1.583 552 HA PHE 71 HA PHE 71 -15.798 2.123 0.411 553 1HB PHE 71 1HB PHE 71 -14.149 0.146 2.098 554 2HB PHE 71 2HB PHE 71 -15.836 -0.106 1.696 555 HD1 PHE 71 HD1 PHE 71 -15.865 0.753 -1.148 556 HD2 PHE 71 HD2 PHE 71 -13.050 -1.588 0.998 557 HE1 PHE 71 HE1 PHE 71 -15.186 -0.385 -3.280 558 HE2 PHE 71 HE2 PHE 71 -12.371 -2.726 -1.134 559 HZ PHE 71 HZ PHE 71 -13.448 -2.111 -3.247 560 H GLU 72 H GLU 72 -17.558 2.074 1.994 561 HA GLU 72 HA GLU 72 -17.172 3.935 4.007 562 1HB GLU 72 1HB GLU 72 -19.346 2.696 2.751 563 2HB GLU 72 2HB GLU 72 -19.487 2.154 4.412 564 1HG GLU 72 1HG GLU 72 -20.132 4.215 5.135 565 2HG GLU 72 2HG GLU 72 -18.811 5.007 4.299 566 H SER 73 H SER 73 -17.813 0.357 4.234 567 HA SER 73 HA SER 73 -15.982 0.153 6.376 568 1HB SER 73 1HB SER 73 -18.757 0.684 7.018 569 2HB SER 73 2HB SER 73 -18.362 -0.942 7.538 570 HG SER 73 HG SER 73 -17.919 0.908 9.083 571 H LYS 74 H LYS 74 -15.908 -2.212 7.185 572 HA LYS 74 HA LYS 74 -15.622 -3.951 5.148 573 1HB LYS 74 1HB LYS 74 -15.490 -5.674 6.777 574 2HB LYS 74 2HB LYS 74 -14.877 -4.216 7.530 575 1HG LYS 74 1HG LYS 74 -17.818 -4.695 7.836 576 2HG LYS 74 2HG LYS 74 -16.775 -5.830 8.669 577 1HD LYS 74 1HD LYS 74 -16.543 -2.794 8.922 578 2HD LYS 74 2HD LYS 74 -17.412 -3.808 10.056 579 1HE LYS 74 1HE LYS 74 -15.157 -5.156 10.239 580 2HE LYS 74 2HE LYS 74 -14.426 -3.744 9.501 581 1HZ LYS 74 1HZ LYS 74 -14.872 -2.485 11.310 582 2HZ LYS 74 2HZ LYS 74 -16.201 -3.323 11.754 583 3HZ LYS 74 3HZ LYS 74 -14.714 -3.928 12.058 584 H GLU 75 H GLU 75 -18.632 -2.906 6.681 585 HA GLU 75 HA GLU 75 -20.203 -5.038 5.842 586 1HB GLU 75 1HB GLU 75 -20.895 -2.132 6.447 587 2HB GLU 75 2HB GLU 75 -22.105 -3.364 6.148 588 1HG GLU 75 1HG GLU 75 -20.398 -4.550 8.052 589 2HG GLU 75 2HG GLU 75 -20.499 -2.877 8.567 590 H ALA 76 H ALA 76 -19.427 -1.841 4.332 591 HA ALA 76 HA ALA 76 -21.075 -2.274 2.074 592 1HB ALA 76 1HB ALA 76 -18.674 -0.477 1.983 593 2HB ALA 76 2HB ALA 76 -20.340 -0.182 1.431 594 3HB ALA 76 3HB ALA 76 -19.951 -0.109 3.167 595 H VAL 77 H VAL 77 -17.699 -3.053 2.953 596 HA VAL 77 HA VAL 77 -16.658 -3.551 0.463 597 HB VAL 77 HB VAL 77 -16.212 -4.754 3.184 598 1HG1 VAL 77 1HG1 VAL 77 -15.131 -5.666 0.564 599 2HG1 VAL 77 2HG1 VAL 77 -13.967 -5.504 1.901 600 3HG1 VAL 77 3HG1 VAL 77 -15.386 -6.565 2.079 601 1HG2 VAL 77 1HG2 VAL 77 -14.432 -3.297 3.368 602 2HG2 VAL 77 2HG2 VAL 77 -14.199 -3.183 1.607 603 3HG2 VAL 77 3HG2 VAL 77 -15.556 -2.330 2.382 604 H ALA 78 H ALA 78 -19.019 -5.395 2.375 605 HA ALA 78 HA ALA 78 -18.773 -7.763 0.804 606 1HB ALA 78 1HB ALA 78 -20.283 -6.776 3.126 607 2HB ALA 78 2HB ALA 78 -21.252 -7.821 2.059 608 3HB ALA 78 3HB ALA 78 -19.724 -8.422 2.745 609 H GLU 79 H GLU 79 -20.959 -4.891 0.897 610 HA GLU 79 HA GLU 79 -22.721 -5.828 -1.017 611 1HB GLU 79 1HB GLU 79 -22.160 -3.320 0.380 612 2HB GLU 79 2HB GLU 79 -22.627 -3.012 -1.281 613 1HG GLU 79 1HG GLU 79 -24.575 -4.714 -0.830 614 2HG GLU 79 2HG GLU 79 -24.198 -4.482 0.866 615 H TYR 80 H TYR 80 -19.669 -3.920 -1.280 616 HA TYR 80 HA TYR 80 -19.838 -3.359 -4.002 617 1HB TYR 80 1HB TYR 80 -17.631 -3.837 -1.926 618 2HB TYR 80 2HB TYR 80 -17.199 -3.421 -3.573 619 HD1 TYR 80 HD1 TYR 80 -17.744 -2.102 -0.395 620 HD2 TYR 80 HD2 TYR 80 -18.566 -1.271 -4.510 621 HE1 TYR 80 HE1 TYR 80 -18.016 0.367 0.150 622 HE2 TYR 80 HE2 TYR 80 -18.835 1.195 -3.951 623 HH TYR 80 HH TYR 80 -19.531 2.383 -1.342 624 H ILE 81 H ILE 81 -18.541 -6.216 -2.223 625 HA ILE 81 HA ILE 81 -17.490 -7.417 -4.571 626 HB ILE 81 HB ILE 81 -18.028 -8.370 -1.768 627 1HG1 ILE 81 1HG1 ILE 81 -15.447 -7.867 -3.279 628 2HG1 ILE 81 2HG1 ILE 81 -16.182 -6.751 -2.145 629 1HG2 ILE 81 1HG2 ILE 81 -16.645 -9.980 -3.924 630 2HG2 ILE 81 2HG2 ILE 81 -17.022 -10.473 -2.256 631 3HG2 ILE 81 3HG2 ILE 81 -18.337 -10.227 -3.430 632 1HD1 ILE 81 1HD1 ILE 81 -16.116 -9.214 -0.760 633 2HD1 ILE 81 2HD1 ILE 81 -14.555 -9.117 -1.608 634 3HD1 ILE 81 3HD1 ILE 81 -15.047 -7.815 -0.498 635 H ALA 82 H ALA 82 -20.544 -7.696 -2.677 636 HA ALA 82 HA ALA 82 -21.613 -9.865 -4.018 637 1HB ALA 82 1HB ALA 82 -22.367 -8.125 -1.997 638 2HB ALA 82 2HB ALA 82 -23.541 -7.762 -3.284 639 3HB ALA 82 3HB ALA 82 -23.377 -9.425 -2.672 640 H HIS 83 H HIS 83 -21.593 -6.354 -4.828 641 HA HIS 83 HA HIS 83 -23.383 -6.286 -6.844 642 1HB HIS 83 1HB HIS 83 -21.506 -4.588 -5.819 643 2HB HIS 83 2HB HIS 83 -20.844 -4.880 -7.415 644 HD1 HIS 83 HD1 HIS 83 -22.310 -4.122 -9.492 645 HD2 HIS 83 HD2 HIS 83 -23.819 -3.006 -5.740 646 HE1 HIS 83 HE1 HIS 83 -24.091 -2.350 -9.936 647 HE2 HIS 83 HE2 HIS 83 -25.020 -1.743 -7.598 648 HA PRO 84 HA PRO 84 -21.803 -8.995 -9.845 649 1HB PRO 84 1HB PRO 84 -23.546 -8.440 -11.875 650 2HB PRO 84 2HB PRO 84 -23.922 -9.539 -10.563 651 1HG PRO 84 1HG PRO 84 -24.889 -6.781 -11.006 652 2HG PRO 84 2HG PRO 84 -25.558 -8.026 -9.969 653 1HD PRO 84 1HD PRO 84 -24.005 -5.759 -9.146 654 2HD PRO 84 2HD PRO 84 -24.575 -7.065 -8.126 655 H ALA 85 H ALA 85 -22.354 -5.644 -10.682 656 HA ALA 85 HA ALA 85 -20.868 -5.613 -13.018 657 1HB ALA 85 1HB ALA 85 -22.399 -3.829 -11.965 658 2HB ALA 85 2HB ALA 85 -20.982 -3.350 -11.002 659 3HB ALA 85 3HB ALA 85 -20.925 -3.251 -12.778 660 H HIS 86 H HIS 86 -19.879 -5.323 -9.566 661 HA HIS 86 HA HIS 86 -17.171 -4.791 -10.241 662 1HB HIS 86 1HB HIS 86 -17.763 -3.911 -8.194 663 2HB HIS 86 2HB HIS 86 -18.731 -5.300 -7.741 664 HD1 HIS 86 HD1 HIS 86 -15.341 -3.853 -7.416 665 HD2 HIS 86 HD2 HIS 86 -17.163 -7.586 -6.832 666 HE1 HIS 86 HE1 HIS 86 -13.713 -5.232 -6.016 667 HE2 HIS 86 HE2 HIS 86 -14.911 -7.496 -5.644 668 H VAL 87 H VAL 87 -19.090 -7.681 -9.252 669 HA VAL 87 HA VAL 87 -16.969 -9.440 -8.972 670 HB VAL 87 HB VAL 87 -19.885 -9.656 -9.593 671 1HG1 VAL 87 1HG1 VAL 87 -17.840 -11.758 -10.100 672 2HG1 VAL 87 2HG1 VAL 87 -19.307 -12.263 -9.227 673 3HG1 VAL 87 3HG1 VAL 87 -19.442 -11.510 -10.835 674 1HG2 VAL 87 1HG2 VAL 87 -18.204 -9.736 -7.272 675 2HG2 VAL 87 2HG2 VAL 87 -19.980 -9.803 -7.372 676 3HG2 VAL 87 3HG2 VAL 87 -19.028 -11.305 -7.438 677 H GLU 88 H GLU 88 -18.974 -8.629 -11.883 678 HA GLU 88 HA GLU 88 -17.797 -10.390 -13.598 679 1HB GLU 88 1HB GLU 88 -19.797 -8.665 -13.862 680 2HB GLU 88 2HB GLU 88 -18.563 -7.621 -14.539 681 1HG GLU 88 1HG GLU 88 -18.770 -8.710 -16.514 682 2HG GLU 88 2HG GLU 88 -18.143 -10.159 -15.754 683 H PHE 89 H PHE 89 -16.790 -7.030 -12.716 684 HA PHE 89 HA PHE 89 -14.635 -6.953 -14.524 685 1HB PHE 89 1HB PHE 89 -15.602 -4.915 -13.568 686 2HB PHE 89 2HB PHE 89 -15.456 -5.533 -11.935 687 HD1 PHE 89 HD1 PHE 89 -13.268 -5.562 -10.808 688 HD2 PHE 89 HD2 PHE 89 -13.737 -3.867 -14.670 689 HE1 PHE 89 HE1 PHE 89 -11.068 -4.380 -10.557 690 HE2 PHE 89 HE2 PHE 89 -11.537 -2.685 -14.419 691 HZ PHE 89 HZ PHE 89 -10.228 -2.956 -12.366 692 H ALA 90 H ALA 90 -14.817 -7.573 -10.947 693 HA ALA 90 HA ALA 90 -12.114 -7.947 -10.537 694 1HB ALA 90 1HB ALA 90 -13.702 -9.733 -8.902 695 2HB ALA 90 2HB ALA 90 -12.889 -8.217 -8.446 696 3HB ALA 90 3HB ALA 90 -14.545 -8.178 -9.097 697 H THR 91 H THR 91 -14.672 -10.263 -11.598 698 HA THR 91 HA THR 91 -13.037 -12.543 -11.552 699 HB THR 91 HB THR 91 -15.547 -11.776 -13.128 700 HG1 THR 91 HG1 THR 91 -14.860 -13.315 -10.723 701 1HG2 THR 91 1HG2 THR 91 -14.235 -14.500 -12.629 702 2HG2 THR 91 2HG2 THR 91 -15.897 -14.279 -13.227 703 3HG2 THR 91 3HG2 THR 91 -14.517 -13.745 -14.216 704 H ILE 92 H ILE 92 -13.716 -10.128 -14.143 705 HA ILE 92 HA ILE 92 -12.222 -11.502 -16.090 706 HB ILE 92 HB ILE 92 -13.302 -8.726 -15.778 707 1HG1 ILE 92 1HG1 ILE 92 -13.832 -10.767 -17.942 708 2HG1 ILE 92 2HG1 ILE 92 -14.690 -10.788 -16.415 709 1HG2 ILE 92 1HG2 ILE 92 -11.646 -9.659 -18.137 710 2HG2 ILE 92 2HG2 ILE 92 -12.459 -8.087 -17.946 711 3HG2 ILE 92 3HG2 ILE 92 -11.095 -8.518 -16.887 712 1HD1 ILE 92 1HD1 ILE 92 -15.133 -8.230 -16.909 713 2HD1 ILE 92 2HD1 ILE 92 -14.738 -8.681 -18.586 714 3HD1 ILE 92 3HD1 ILE 92 -16.101 -9.465 -17.751 715 H PHE 93 H PHE 93 -11.411 -9.189 -13.500 716 HA PHE 93 HA PHE 93 -8.803 -8.663 -14.496 717 1HB PHE 93 1HB PHE 93 -10.626 -7.923 -12.333 718 2HB PHE 93 2HB PHE 93 -9.080 -8.336 -11.619 719 HD1 PHE 93 HD1 PHE 93 -7.659 -6.569 -11.266 720 HD2 PHE 93 HD2 PHE 93 -10.293 -6.408 -14.589 721 HE1 PHE 93 HE1 PHE 93 -6.781 -4.292 -11.851 722 HE2 PHE 93 HE2 PHE 93 -9.415 -4.131 -15.175 723 HZ PHE 93 HZ PHE 93 -7.669 -3.100 -13.799 724 H LEU 94 H LEU 94 -10.261 -10.981 -12.167 725 HA LEU 94 HA LEU 94 -7.845 -11.881 -11.078 726 1HB LEU 94 1HB LEU 94 -10.661 -12.837 -11.202 727 2HB LEU 94 2HB LEU 94 -9.429 -13.998 -10.748 728 HG LEU 94 HG LEU 94 -9.241 -11.438 -9.301 729 1HD1 LEU 94 1HD1 LEU 94 -11.249 -11.299 -8.321 730 2HD1 LEU 94 2HD1 LEU 94 -11.822 -12.238 -9.720 731 3HD1 LEU 94 3HD1 LEU 94 -11.425 -13.066 -8.195 732 1HD2 LEU 94 1HD2 LEU 94 -9.360 -14.325 -8.386 733 2HD2 LEU 94 2HD2 LEU 94 -7.883 -13.401 -8.751 734 3HD2 LEU 94 3HD2 LEU 94 -8.921 -12.918 -7.388 735 H GLY 95 H GLY 95 -9.615 -12.641 -14.076 736 1HA GLY 95 1HA GLY 95 -7.992 -14.956 -14.667 737 2HA GLY 95 2HA GLY 95 -9.208 -14.206 -15.682 738 H SER 96 H SER 96 -8.288 -11.521 -15.798 739 HA SER 96 HA SER 96 -6.350 -11.788 -17.775 740 1HB SER 96 1HB SER 96 -6.500 -9.411 -17.998 741 2HB SER 96 2HB SER 96 -8.101 -9.947 -17.530 742 HG SER 96 HG SER 96 -7.209 -8.035 -16.346 743 H LEU 97 H LEU 97 -6.232 -11.110 -14.278 744 HA LEU 97 HA LEU 97 -3.379 -10.531 -14.466 745 1HB LEU 97 1HB LEU 97 -5.281 -10.352 -12.126 746 2HB LEU 97 2HB LEU 97 -3.593 -9.882 -12.114 747 HG LEU 97 HG LEU 97 -5.199 -8.574 -14.217 748 1HD1 LEU 97 1HD1 LEU 97 -6.939 -7.967 -12.979 749 2HD1 LEU 97 2HD1 LEU 97 -6.228 -8.684 -11.513 750 3HD1 LEU 97 3HD1 LEU 97 -5.816 -7.016 -11.978 751 1HD2 LEU 97 1HD2 LEU 97 -3.028 -7.764 -13.986 752 2HD2 LEU 97 2HD2 LEU 97 -4.015 -6.558 -13.126 753 3HD2 LEU 97 3HD2 LEU 97 -3.102 -7.779 -12.208 754 H ASP 98 H ASP 98 -1.792 -11.837 -13.503 755 HA ASP 98 HA ASP 98 -2.391 -14.548 -13.482 756 1HB ASP 98 1HB ASP 98 -0.137 -13.607 -13.957 757 2HB ASP 98 2HB ASP 98 -0.016 -13.027 -12.308 758 H LYS 99 H LYS 99 -1.158 -12.418 -10.780 759 HA LYS 99 HA LYS 99 -2.776 -14.033 -8.934 760 1HB LYS 99 1HB LYS 99 -0.989 -13.649 -7.250 761 2HB LYS 99 2HB LYS 99 -0.483 -14.641 -8.602 762 1HG LYS 99 1HG LYS 99 1.140 -13.161 -9.177 763 2HG LYS 99 2HG LYS 99 -0.005 -11.836 -9.227 764 1HD LYS 99 1HD LYS 99 0.383 -12.481 -6.458 765 2HD LYS 99 2HD LYS 99 1.974 -12.447 -7.192 766 1HE LYS 99 1HE LYS 99 0.746 -10.200 -8.316 767 2HE LYS 99 2HE LYS 99 0.086 -10.219 -6.692 768 1HZ LYS 99 1HZ LYS 99 2.014 -9.520 -5.937 769 2HZ LYS 99 2HZ LYS 99 2.820 -10.781 -6.591 770 3HZ LYS 99 3HZ LYS 99 2.596 -9.416 -7.459 771 H VAL 100 H VAL 100 -3.496 -12.846 -6.970 772 HA VAL 100 HA VAL 100 -3.369 -9.970 -7.127 773 HB VAL 100 HB VAL 100 -5.166 -10.111 -8.565 774 1HG1 VAL 100 1HG1 VAL 100 -5.750 -12.318 -8.828 775 2HG1 VAL 100 2HG1 VAL 100 -5.845 -12.620 -7.077 776 3HG1 VAL 100 3HG1 VAL 100 -7.154 -11.739 -7.900 777 1HG2 VAL 100 1HG2 VAL 100 -7.156 -9.440 -7.316 778 2HG2 VAL 100 2HG2 VAL 100 -6.465 -10.111 -5.819 779 3HG2 VAL 100 3HG2 VAL 100 -5.696 -8.711 -6.604 780 H LEU 101 H LEU 101 -3.508 -9.063 -5.091 781 HA LEU 101 HA LEU 101 -4.437 -10.837 -2.953 782 1HB LEU 101 1HB LEU 101 -1.769 -10.258 -3.455 783 2HB LEU 101 2HB LEU 101 -2.204 -9.134 -2.183 784 HG LEU 101 HG LEU 101 -1.227 -11.373 -1.478 785 1HD1 LEU 101 1HD1 LEU 101 -3.795 -11.252 -0.058 786 2HD1 LEU 101 2HD1 LEU 101 -2.132 -11.037 0.541 787 3HD1 LEU 101 3HD1 LEU 101 -2.983 -9.678 -0.233 788 1HD2 LEU 101 1HD2 LEU 101 -3.860 -12.671 -1.551 789 2HD2 LEU 101 2HD2 LEU 101 -3.117 -12.441 -3.152 790 3HD2 LEU 101 3HD2 LEU 101 -2.238 -13.327 -1.882 791 H VAL 102 H VAL 102 -5.688 -9.844 -1.392 792 HA VAL 102 HA VAL 102 -6.288 -7.036 -1.940 793 HB VAL 102 HB VAL 102 -8.342 -7.457 -0.718 794 1HG1 VAL 102 1HG1 VAL 102 -8.166 -9.822 -2.552 795 2HG1 VAL 102 2HG1 VAL 102 -9.426 -8.571 -2.416 796 3HG1 VAL 102 3HG1 VAL 102 -7.881 -8.195 -3.217 797 1HG2 VAL 102 1HG2 VAL 102 -8.444 -10.257 -0.442 798 2HG2 VAL 102 2HG2 VAL 102 -6.887 -9.759 0.263 799 3HG2 VAL 102 3HG2 VAL 102 -8.403 -9.039 0.855 800 H ILE 103 H ILE 103 -5.500 -5.476 -0.627 801 HA ILE 103 HA ILE 103 -4.843 -6.265 2.119 802 HB ILE 103 HB ILE 103 -3.133 -4.624 0.249 803 1HG1 ILE 103 1HG1 ILE 103 -3.040 -7.066 -0.138 804 2HG1 ILE 103 2HG1 ILE 103 -1.517 -6.399 0.418 805 1HG2 ILE 103 1HG2 ILE 103 -1.545 -4.500 2.131 806 2HG2 ILE 103 2HG2 ILE 103 -3.078 -3.663 2.474 807 3HG2 ILE 103 3HG2 ILE 103 -2.758 -5.262 3.188 808 1HD1 ILE 103 1HD1 ILE 103 -2.048 -8.513 1.599 809 2HD1 ILE 103 2HD1 ILE 103 -2.015 -7.145 2.738 810 3HD1 ILE 103 3HD1 ILE 103 -3.572 -7.806 2.186 811 H ASP 104 H ASP 104 -5.107 -4.596 3.701 812 HA ASP 104 HA ASP 104 -6.541 -2.287 2.650 813 1HB ASP 104 1HB ASP 104 -7.449 -4.343 4.478 814 2HB ASP 104 2HB ASP 104 -7.348 -2.833 5.361 815 H TYR 105 H TYR 105 -5.802 -0.298 3.508 816 HA TYR 105 HA TYR 105 -3.832 -0.501 5.685 817 1HB TYR 105 1HB TYR 105 -2.670 0.250 3.724 818 2HB TYR 105 2HB TYR 105 -4.100 1.017 3.064 819 HD1 TYR 105 HD1 TYR 105 -4.800 3.268 3.860 820 HD2 TYR 105 HD2 TYR 105 -1.166 1.444 5.192 821 HE1 TYR 105 HE1 TYR 105 -3.965 5.521 4.689 822 HE2 TYR 105 HE2 TYR 105 -0.344 3.704 6.017 823 HH TYR 105 HH TYR 105 -0.698 5.985 5.662 824 H LYS 106 H LYS 106 -4.103 0.792 7.475 825 HA LYS 106 HA LYS 106 -6.244 2.792 7.302 826 1HB LYS 106 1HB LYS 106 -7.211 0.926 8.435 827 2HB LYS 106 2HB LYS 106 -5.793 0.699 9.439 828 1HG LYS 106 1HG LYS 106 -6.831 2.002 10.986 829 2HG LYS 106 2HG LYS 106 -6.471 3.364 9.944 830 1HD LYS 106 1HD LYS 106 -8.676 2.762 8.688 831 2HD LYS 106 2HD LYS 106 -9.040 1.736 10.061 832 1HE LYS 106 1HE LYS 106 -8.149 4.447 10.857 833 2HE LYS 106 2HE LYS 106 -9.601 4.469 9.876 834 1HZ LYS 106 1HZ LYS 106 -10.432 4.141 11.949 835 2HZ LYS 106 2HZ LYS 106 -10.302 2.585 11.471 836 3HZ LYS 106 3HZ LYS 106 -9.181 3.229 12.469 837 HA PRO 107 HA PRO 107 -3.097 5.335 8.851 838 1HB PRO 107 1HB PRO 107 -4.563 7.601 9.283 839 2HB PRO 107 2HB PRO 107 -3.924 7.158 7.713 840 1HG PRO 107 1HG PRO 107 -6.706 6.987 8.696 841 2HG PRO 107 2HG PRO 107 -6.122 6.961 7.044 842 1HD PRO 107 1HD PRO 107 -7.015 4.712 8.584 843 2HD PRO 107 2HD PRO 107 -6.323 4.671 6.975 844 H THR 108 H THR 108 -2.398 4.295 10.694 845 HA THR 108 HA THR 108 -3.584 5.475 13.096 846 HB THR 108 HB THR 108 -3.444 2.548 12.317 847 HG1 THR 108 HG1 THR 108 -5.188 4.243 13.959 848 1HG2 THR 108 1HG2 THR 108 -2.666 3.670 14.933 849 2HG2 THR 108 2HG2 THR 108 -4.127 2.660 15.049 850 3HG2 THR 108 3HG2 THR 108 -2.625 1.978 14.381 851 H SER 109 H SER 109 -1.593 6.814 12.684 852 HA SER 109 HA SER 109 0.874 5.455 13.080 853 1HB SER 109 1HB SER 109 1.715 7.916 13.248 854 2HB SER 109 2HB SER 109 1.081 7.358 11.712 855 HG SER 109 HG SER 109 0.240 9.469 12.397 856 H VAL 110 H VAL 110 2.397 6.082 14.910 857 HA VAL 110 HA VAL 110 0.867 6.159 17.385 858 HB VAL 110 HB VAL 110 3.712 5.438 16.682 859 1HG1 VAL 110 1HG1 VAL 110 2.422 5.820 19.386 860 2HG1 VAL 110 2HG1 VAL 110 3.790 4.705 19.153 861 3HG1 VAL 110 3HG1 VAL 110 3.981 6.437 18.790 862 1HG2 VAL 110 1HG2 VAL 110 2.075 3.735 16.114 863 2HG2 VAL 110 2HG2 VAL 110 3.027 3.205 17.522 864 3HG2 VAL 110 3HG2 VAL 110 1.372 3.821 17.746 865 H SER 111 H SER 111 1.145 7.750 18.985 866 HA SER 111 HA SER 111 1.903 10.261 17.960 867 1HB SER 111 1HB SER 111 1.664 10.518 20.751 868 2HB SER 111 2HB SER 111 0.412 10.819 19.563 869 HG SER 111 HG SER 111 -0.477 9.303 20.931 870 H LEU 112 H LEU 112 3.872 11.311 18.104 871 HA LEU 112 HA LEU 112 6.066 9.855 19.219 872 1HB LEU 112 1HB LEU 112 5.970 12.617 18.000 873 2HB LEU 112 2HB LEU 112 7.411 11.677 18.334 874 HG LEU 112 HG LEU 112 5.251 10.737 16.435 875 1HD1 LEU 112 1HD1 LEU 112 7.794 12.206 15.691 876 2HD1 LEU 112 2HD1 LEU 112 6.533 11.599 14.591 877 3HD1 LEU 112 3HD1 LEU 112 6.169 12.932 15.713 878 1HD2 LEU 112 1HD2 LEU 112 7.262 9.431 15.521 879 2HD2 LEU 112 2HD2 LEU 112 8.060 9.837 17.059 880 3HD2 LEU 112 3HD2 LEU 112 6.550 8.896 17.062 881 1H GLY 1 1H GLY 1 5.543 18.610 20.269 882 1HA GLY 1 1HA GLY 1 6.618 18.012 17.593 883 2HA GLY 1 2HA GLY 1 4.931 18.003 18.070 884 H SER 2 H SER 2 7.144 19.701 16.287 885 HA SER 2 HA SER 2 6.315 22.321 17.087 886 1HB SER 2 1HB SER 2 7.747 23.006 15.082 887 2HB SER 2 2HB SER 2 8.587 22.161 16.367 888 HG SER 2 HG SER 2 9.001 21.427 14.082 889 H HIS 3 H HIS 3 5.819 19.998 14.371 890 HA HIS 3 HA HIS 3 3.247 20.877 13.858 891 1HB HIS 3 1HB HIS 3 3.333 22.395 12.178 892 2HB HIS 3 2HB HIS 3 4.810 22.845 13.007 893 HD1 HIS 3 HD1 HIS 3 3.535 21.341 9.825 894 HD2 HIS 3 HD2 HIS 3 7.226 22.109 11.663 895 HE1 HIS 3 HE1 HIS 3 5.309 21.054 8.014 896 H MET 4 H MET 4 2.203 19.432 12.441 897 HA MET 4 HA MET 4 3.705 17.845 10.659 898 1HB MET 4 1HB MET 4 3.065 16.850 13.417 899 2HB MET 4 2HB MET 4 2.662 15.733 12.128 900 1HG MET 4 1HG MET 4 4.845 15.129 12.002 901 2HG MET 4 2HG MET 4 5.247 16.752 11.478 902 1HE MET 4 1HE MET 4 5.250 14.187 14.384 903 2HE MET 4 2HE MET 4 5.271 15.230 15.826 904 3HE MET 4 3HE MET 4 3.834 15.193 14.776 905 H GLU 5 H GLU 5 2.089 18.663 9.203 906 HA GLU 5 HA GLU 5 -0.557 17.545 9.715 907 1HB GLU 5 1HB GLU 5 0.226 20.221 9.112 908 2HB GLU 5 2HB GLU 5 -0.573 19.614 7.675 909 1HG GLU 5 1HG GLU 5 -2.347 18.686 9.471 910 2HG GLU 5 2HG GLU 5 -1.683 19.972 10.458 911 H GLU 6 H GLU 6 -0.737 15.660 8.565 912 HA GLU 6 HA GLU 6 0.610 15.536 6.010 913 1HB GLU 6 1HB GLU 6 -0.198 13.061 6.188 914 2HB GLU 6 2HB GLU 6 1.086 13.598 7.254 915 1HG GLU 6 1HG GLU 6 -1.712 13.970 8.269 916 2HG GLU 6 2HG GLU 6 -1.155 12.314 8.137 917 H ALA 7 H ALA 7 -0.490 15.998 4.159 918 HA ALA 7 HA ALA 7 -3.158 15.034 3.803 919 1HB ALA 7 1HB ALA 7 -3.918 17.474 3.229 920 2HB ALA 7 2HB ALA 7 -3.919 16.943 4.928 921 3HB ALA 7 3HB ALA 7 -2.592 17.957 4.313 922 H LYS 8 H LYS 8 -3.907 15.476 1.529 923 HA LYS 8 HA LYS 8 -3.388 15.092 -0.614 924 1HB LYS 8 1HB LYS 8 -2.016 17.760 -0.166 925 2HB LYS 8 2HB LYS 8 -2.467 17.106 -1.728 926 1HG LYS 8 1HG LYS 8 -4.486 18.107 -1.439 927 2HG LYS 8 2HG LYS 8 -4.834 16.867 -0.251 928 1HD LYS 8 1HD LYS 8 -3.516 18.449 1.414 929 2HD LYS 8 2HD LYS 8 -3.812 19.685 0.208 930 1HE LYS 8 1HE LYS 8 -6.267 18.185 0.688 931 2HE LYS 8 2HE LYS 8 -5.616 18.748 2.214 932 1HZ LYS 8 1HZ LYS 8 -5.320 20.883 0.635 933 2HZ LYS 8 2HZ LYS 8 -6.714 20.257 0.061 934 3HZ LYS 8 3HZ LYS 8 -6.583 20.644 1.642 935 H GLY 9 H GLY 9 -1.977 13.230 0.353 936 1HA GLY 9 1HA GLY 9 -0.031 12.078 0.412 937 2HA GLY 9 2HA GLY 9 0.171 12.736 -1.199 938 HA PRO 10 HA PRO 10 0.602 14.333 -2.162 939 1HB PRO 10 1HB PRO 10 2.736 15.021 -3.725 940 2HB PRO 10 2HB PRO 10 1.652 16.198 -3.010 941 1HG PRO 10 1HG PRO 10 4.404 15.482 -2.202 942 2HG PRO 10 2HG PRO 10 3.478 16.913 -1.795 943 1HD PRO 10 1HD PRO 10 3.986 14.657 -0.098 944 2HD PRO 10 2HD PRO 10 2.965 16.033 0.266 945 H VAL 11 H VAL 11 3.864 13.038 -1.781 946 HA VAL 11 HA VAL 11 3.080 10.853 -3.546 947 HB VAL 11 HB VAL 11 5.725 11.774 -2.413 948 1HG1 VAL 11 1HG1 VAL 11 6.824 10.017 -3.590 949 2HG1 VAL 11 2HG1 VAL 11 5.521 9.258 -2.644 950 3HG1 VAL 11 3HG1 VAL 11 5.316 9.516 -4.393 951 1HG2 VAL 11 1HG2 VAL 11 5.091 11.585 -5.337 952 2HG2 VAL 11 2HG2 VAL 11 4.435 12.949 -4.401 953 3HG2 VAL 11 3HG2 VAL 11 6.194 12.685 -4.475 954 H LYS 12 H LYS 12 2.707 8.788 -2.827 955 HA LYS 12 HA LYS 12 3.099 8.374 0.056 956 1HB LYS 12 1HB LYS 12 0.815 7.802 -1.762 957 2HB LYS 12 2HB LYS 12 1.189 6.571 -0.573 958 1HG LYS 12 1HG LYS 12 1.375 9.021 0.844 959 2HG LYS 12 2HG LYS 12 -0.033 9.206 -0.183 960 1HD LYS 12 1HD LYS 12 -0.592 6.732 0.685 961 2HD LYS 12 2HD LYS 12 0.466 7.184 2.007 962 1HE LYS 12 1HE LYS 12 -1.152 8.471 2.947 963 2HE LYS 12 2HE LYS 12 -1.359 9.382 1.464 964 1HZ LYS 12 1HZ LYS 12 -2.523 7.034 0.897 965 2HZ LYS 12 2HZ LYS 12 -2.908 7.222 2.473 966 3HZ LYS 12 3HZ LYS 12 -3.314 8.375 1.391 967 H HIS 13 H HIS 13 4.839 7.111 0.420 968 HA HIS 13 HA HIS 13 5.713 5.330 -1.662 969 1HB HIS 13 1HB HIS 13 7.542 6.324 -0.724 970 2HB HIS 13 2HB HIS 13 6.822 6.429 0.870 971 HD1 HIS 13 HD1 HIS 13 9.298 4.562 -1.007 972 HD2 HIS 13 HD2 HIS 13 6.719 3.728 2.194 973 HE1 HIS 13 HE1 HIS 13 10.223 2.474 0.131 974 HE2 HIS 13 HE2 HIS 13 8.628 2.043 2.122 975 H VAL 14 H VAL 14 5.218 3.194 -1.812 976 HA VAL 14 HA VAL 14 3.867 2.016 0.510 977 HB VAL 14 HB VAL 14 3.774 1.267 -2.420 978 1HG1 VAL 14 1HG1 VAL 14 3.307 -0.399 -0.306 979 2HG1 VAL 14 2HG1 VAL 14 1.684 0.281 -0.576 980 3HG1 VAL 14 3HG1 VAL 14 2.534 -0.548 -1.903 981 1HG2 VAL 14 1HG2 VAL 14 2.686 3.483 -1.634 982 2HG2 VAL 14 2HG2 VAL 14 1.707 2.348 -2.594 983 3HG2 VAL 14 3HG2 VAL 14 1.492 2.437 -0.829 984 H LEU 15 H LEU 15 4.857 0.393 1.611 985 HA LEU 15 HA LEU 15 6.970 -1.070 0.219 986 1HB LEU 15 1HB LEU 15 8.429 0.230 1.317 987 2HB LEU 15 2HB LEU 15 7.261 0.732 2.524 988 HG LEU 15 HG LEU 15 7.546 -1.636 3.519 989 1HD1 LEU 15 1HD1 LEU 15 8.803 -2.411 1.418 990 2HD1 LEU 15 2HD1 LEU 15 10.208 -1.562 2.107 991 3HD1 LEU 15 3HD1 LEU 15 9.446 -2.897 3.006 992 1HD2 LEU 15 1HD2 LEU 15 10.109 -0.212 3.888 993 2HD2 LEU 15 2HD2 LEU 15 8.641 0.768 4.125 994 3HD2 LEU 15 3HD2 LEU 15 8.884 -0.717 5.077 995 H LEU 16 H LEU 16 7.131 -3.253 0.804 996 HA LEU 16 HA LEU 16 5.150 -4.126 2.788 997 1HB LEU 16 1HB LEU 16 4.031 -5.053 1.126 998 2HB LEU 16 2HB LEU 16 5.298 -4.703 -0.032 999 HG LEU 16 HG LEU 16 4.806 -7.083 0.036 1000 1HD1 LEU 16 1HD1 LEU 16 7.317 -5.939 0.118 1001 2HD1 LEU 16 2HD1 LEU 16 7.430 -7.252 1.315 1002 3HD1 LEU 16 3HD1 LEU 16 6.937 -7.612 -0.357 1003 1HD2 LEU 16 1HD2 LEU 16 5.948 -7.764 2.603 1004 2HD2 LEU 16 2HD2 LEU 16 4.538 -6.695 2.800 1005 3HD2 LEU 16 3HD2 LEU 16 4.380 -8.220 1.894 1006 H ALA 17 H ALA 17 5.837 -5.657 4.266 1007 HA ALA 17 HA ALA 17 8.352 -7.006 3.790 1008 1HB ALA 17 1HB ALA 17 9.144 -4.917 4.734 1009 2HB ALA 17 2HB ALA 17 7.940 -5.000 6.042 1010 3HB ALA 17 3HB ALA 17 9.271 -6.180 5.981 1011 H SER 18 H SER 18 8.474 -8.963 4.923 1012 HA SER 18 HA SER 18 6.235 -9.447 6.724 1013 1HB SER 18 1HB SER 18 7.116 -10.974 4.303 1014 2HB SER 18 2HB SER 18 6.644 -11.934 5.691 1015 HG SER 18 HG SER 18 4.929 -11.229 4.041 1016 H PHE 19 H PHE 19 6.738 -10.645 8.605 1017 HA PHE 19 HA PHE 19 9.540 -10.823 9.191 1018 1HB PHE 19 1HB PHE 19 6.912 -11.495 10.639 1019 2HB PHE 19 2HB PHE 19 8.473 -11.678 11.413 1020 HD1 PHE 19 HD1 PHE 19 5.790 -9.466 10.786 1021 HD2 PHE 19 HD2 PHE 19 9.974 -9.549 11.487 1022 HE1 PHE 19 HE1 PHE 19 5.718 -7.060 11.498 1023 HE2 PHE 19 HE2 PHE 19 9.902 -7.144 12.200 1024 HZ PHE 19 HZ PHE 19 7.775 -5.928 12.197 1025 H LYS 20 H LYS 20 10.748 -12.551 8.576 1026 HA LYS 20 HA LYS 20 9.378 -15.129 8.364 1027 1HB LYS 20 1HB LYS 20 11.051 -13.794 6.597 1028 2HB LYS 20 2HB LYS 20 12.120 -14.965 7.342 1029 1HG LYS 20 1HG LYS 20 9.780 -16.445 6.890 1030 2HG LYS 20 2HG LYS 20 9.865 -15.402 5.484 1031 1HD LYS 20 1HD LYS 20 12.502 -16.524 6.159 1032 2HD LYS 20 2HD LYS 20 11.315 -17.785 5.893 1033 1HE LYS 20 1HE LYS 20 11.575 -15.466 3.943 1034 2HE LYS 20 2HE LYS 20 12.639 -16.854 3.828 1035 1HZ LYS 20 1HZ LYS 20 9.830 -17.436 4.082 1036 2HZ LYS 20 2HZ LYS 20 10.292 -16.755 2.672 1037 3HZ LYS 20 3HZ LYS 20 10.965 -18.160 3.159 1038 H ASP 21 H ASP 21 11.985 -16.571 8.497 1039 HA ASP 21 HA ASP 21 13.105 -17.679 9.989 1040 1HB ASP 21 1HB ASP 21 13.767 -14.982 10.350 1041 2HB ASP 21 2HB ASP 21 13.411 -15.509 11.983 1042 H GLY 22 H GLY 22 13.271 -18.098 12.616 1043 1HA GLY 22 1HA GLY 22 10.537 -18.554 13.470 1044 2HA GLY 22 2HA GLY 22 12.008 -19.154 14.209 1045 H VAL 23 H VAL 23 11.434 -15.717 13.339 1046 HA VAL 23 HA VAL 23 12.075 -14.923 16.000 1047 HB VAL 23 HB VAL 23 12.347 -13.823 13.551 1048 1HG1 VAL 23 1HG1 VAL 23 9.882 -13.411 13.407 1049 2HG1 VAL 23 2HG1 VAL 23 10.031 -12.302 14.791 1050 3HG1 VAL 23 3HG1 VAL 23 10.871 -11.938 13.265 1051 1HG2 VAL 23 1HG2 VAL 23 13.276 -13.245 15.950 1052 2HG2 VAL 23 2HG2 VAL 23 13.345 -12.047 14.636 1053 3HG2 VAL 23 3HG2 VAL 23 12.069 -11.939 15.872 1054 H SER 24 H SER 24 10.706 -14.836 17.698 1055 HA SER 24 HA SER 24 8.114 -15.574 17.580 1056 1HB SER 24 1HB SER 24 9.857 -14.188 19.528 1057 2HB SER 24 2HB SER 24 8.158 -13.819 19.745 1058 HG SER 24 HG SER 24 9.246 -16.499 19.554 1059 HA PRO 25 HA PRO 25 5.816 -12.092 16.332 1060 1HB PRO 25 1HB PRO 25 3.598 -12.100 17.928 1061 2HB PRO 25 2HB PRO 25 3.796 -13.173 16.558 1062 1HG PRO 25 1HG PRO 25 4.017 -13.788 19.441 1063 2HG PRO 25 2HG PRO 25 3.789 -14.890 18.098 1064 1HD PRO 25 1HD PRO 25 6.227 -14.415 19.533 1065 2HD PRO 25 2HD PRO 25 6.024 -15.429 18.118 1066 H GLU 26 H GLU 26 6.340 -12.178 19.782 1067 HA GLU 26 HA GLU 26 5.681 -9.539 20.246 1068 1HB GLU 26 1HB GLU 26 6.842 -9.805 22.357 1069 2HB GLU 26 2HB GLU 26 6.046 -11.321 21.986 1070 1HG GLU 26 1HG GLU 26 8.270 -12.098 20.941 1071 2HG GLU 26 2HG GLU 26 9.003 -10.662 21.629 1072 H LYS 27 H LYS 27 8.579 -11.053 18.864 1073 HA LYS 27 HA LYS 27 10.400 -9.003 19.280 1074 1HB LYS 27 1HB LYS 27 10.536 -11.468 18.231 1075 2HB LYS 27 2HB LYS 27 10.495 -10.557 16.735 1076 1HG LYS 27 1HG LYS 27 12.368 -9.699 18.961 1077 2HG LYS 27 2HG LYS 27 12.814 -11.038 17.921 1078 1HD LYS 27 1HD LYS 27 12.905 -9.684 15.981 1079 2HD LYS 27 2HD LYS 27 11.857 -8.456 16.662 1080 1HE LYS 27 1HE LYS 27 13.624 -7.313 17.527 1081 2HE LYS 27 2HE LYS 27 14.243 -8.748 18.320 1082 1HZ LYS 27 1HZ LYS 27 15.388 -7.540 16.234 1083 2HZ LYS 27 2HZ LYS 27 15.677 -9.084 16.679 1084 3HZ LYS 27 3HZ LYS 27 14.603 -8.764 15.491 1085 H ILE 28 H ILE 28 7.672 -9.323 17.034 1086 HA ILE 28 HA ILE 28 8.489 -7.299 15.257 1087 HB ILE 28 HB ILE 28 5.818 -8.528 15.917 1088 1HG1 ILE 28 1HG1 ILE 28 7.373 -8.844 13.359 1089 2HG1 ILE 28 2HG1 ILE 28 7.792 -9.800 14.767 1090 1HG2 ILE 28 1HG2 ILE 28 6.490 -6.501 13.768 1091 2HG2 ILE 28 2HG2 ILE 28 4.995 -7.465 13.829 1092 3HG2 ILE 28 3HG2 ILE 28 5.356 -6.301 15.126 1093 1HD1 ILE 28 1HD1 ILE 28 5.243 -10.373 14.897 1094 2HD1 ILE 28 2HD1 ILE 28 5.180 -9.766 13.225 1095 3HD1 ILE 28 3HD1 ILE 28 6.218 -11.155 13.629 1096 H GLU 29 H GLU 29 6.500 -7.332 18.265 1097 HA GLU 29 HA GLU 29 5.739 -4.673 18.098 1098 1HB GLU 29 1HB GLU 29 5.416 -6.854 19.905 1099 2HB GLU 29 2HB GLU 29 6.061 -5.533 20.858 1100 1HG GLU 29 1HG GLU 29 4.117 -4.329 19.179 1101 2HG GLU 29 2HG GLU 29 3.390 -5.839 19.691 1102 H GLU 30 H GLU 30 8.657 -6.284 19.423 1103 HA GLU 30 HA GLU 30 9.627 -4.045 20.766 1104 1HB GLU 30 1HB GLU 30 10.703 -6.686 19.867 1105 2HB GLU 30 2HB GLU 30 11.898 -5.445 20.189 1106 1HG GLU 30 1HG GLU 30 10.121 -5.211 22.354 1107 2HG GLU 30 2HG GLU 30 10.196 -6.940 22.080 1108 H LEU 31 H LEU 31 9.996 -5.260 17.402 1109 HA LEU 31 HA LEU 31 11.943 -3.298 16.715 1110 1HB LEU 31 1HB LEU 31 10.820 -5.651 15.594 1111 2HB LEU 31 2HB LEU 31 10.565 -4.356 14.442 1112 HG LEU 31 HG LEU 31 13.282 -4.811 15.662 1113 1HD1 LEU 31 1HD1 LEU 31 13.016 -6.940 14.833 1114 2HD1 LEU 31 2HD1 LEU 31 11.930 -6.418 13.523 1115 3HD1 LEU 31 3HD1 LEU 31 13.677 -6.097 13.412 1116 1HD2 LEU 31 1HD2 LEU 31 13.296 -2.793 14.531 1117 2HD2 LEU 31 2HD2 LEU 31 13.882 -3.928 13.291 1118 3HD2 LEU 31 3HD2 LEU 31 12.191 -3.371 13.261 1119 H ILE 32 H ILE 32 8.375 -3.669 16.349 1120 HA ILE 32 HA ILE 32 8.029 -1.351 14.811 1121 HB ILE 32 HB ILE 32 6.171 -2.905 16.609 1122 1HG1 ILE 32 1HG1 ILE 32 7.241 -3.946 14.499 1123 2HG1 ILE 32 2HG1 ILE 32 5.511 -4.095 14.734 1124 1HG2 ILE 32 1HG2 ILE 32 5.463 -0.736 14.614 1125 2HG2 ILE 32 2HG2 ILE 32 4.323 -1.733 15.549 1126 3HG2 ILE 32 3HG2 ILE 32 5.392 -0.582 16.386 1127 1HD1 ILE 32 1HD1 ILE 32 5.001 -2.520 13.065 1128 2HD1 ILE 32 2HD1 ILE 32 6.587 -1.722 13.194 1129 3HD1 ILE 32 3HD1 ILE 32 6.450 -3.306 12.394 1130 H LYS 33 H LYS 33 7.989 -1.974 18.366 1131 HA LYS 33 HA LYS 33 7.214 0.610 19.091 1132 1HB LYS 33 1HB LYS 33 8.507 -1.718 20.460 1133 2HB LYS 33 2HB LYS 33 8.527 -0.163 21.267 1134 1HG LYS 33 1HG LYS 33 6.014 -1.521 20.181 1135 2HG LYS 33 2HG LYS 33 6.515 -1.555 21.859 1136 1HD LYS 33 1HD LYS 33 5.661 0.516 22.247 1137 2HD LYS 33 2HD LYS 33 6.507 1.196 20.871 1138 1HE LYS 33 1HE LYS 33 4.708 0.887 19.422 1139 2HE LYS 33 2HE LYS 33 4.136 -0.545 20.255 1140 1HZ LYS 33 1HZ LYS 33 2.669 1.256 20.667 1141 2HZ LYS 33 2HZ LYS 33 3.433 0.916 22.070 1142 3HZ LYS 33 3HZ LYS 33 3.872 2.225 21.197 1143 H GLY 34 H GLY 34 10.322 -0.803 18.106 1144 1HA GLY 34 1HA GLY 34 11.945 1.335 19.067 1145 2HA GLY 34 2HA GLY 34 12.389 0.087 17.920 1146 H TYR 35 H TYR 35 10.406 0.493 15.896 1147 HA TYR 35 HA TYR 35 11.582 2.361 14.297 1148 1HB TYR 35 1HB TYR 35 9.044 0.815 14.559 1149 2HB TYR 35 2HB TYR 35 8.804 2.300 13.660 1150 HD1 TYR 35 HD1 TYR 35 8.798 1.968 11.372 1151 HD2 TYR 35 HD2 TYR 35 11.504 -0.318 13.770 1152 HE1 TYR 35 HE1 TYR 35 9.710 0.843 9.283 1153 HE2 TYR 35 HE2 TYR 35 12.408 -1.435 11.673 1154 HH TYR 35 HH TYR 35 12.366 -0.426 8.936 1155 H ALA 36 H ALA 36 9.081 2.832 16.803 1156 HA ALA 36 HA ALA 36 8.250 5.378 15.972 1157 1HB ALA 36 1HB ALA 36 7.814 3.526 18.147 1158 2HB ALA 36 2HB ALA 36 8.047 5.166 18.799 1159 3HB ALA 36 3HB ALA 36 6.779 4.861 17.588 1160 H ASN 37 H ASN 37 10.882 4.217 18.147 1161 HA ASN 37 HA ASN 37 11.610 6.850 18.863 1162 1HB ASN 37 1HB ASN 37 12.054 4.677 20.193 1163 2HB ASN 37 2HB ASN 37 13.326 4.322 19.041 1164 1HD2 ASN 37 1HD2 ASN 37 13.703 4.669 21.793 1165 2HD2 ASN 37 2HD2 ASN 37 14.696 6.060 22.074 1166 H LEU 38 H LEU 38 12.408 4.484 16.328 1167 HA LEU 38 HA LEU 38 14.851 5.707 15.538 1168 1HB LEU 38 1HB LEU 38 13.241 3.406 14.834 1169 2HB LEU 38 2HB LEU 38 13.818 4.229 13.398 1170 HG LEU 38 HG LEU 38 15.337 2.449 14.057 1171 1HD1 LEU 38 1HD1 LEU 38 16.057 4.947 13.290 1172 2HD1 LEU 38 2HD1 LEU 38 17.009 4.776 14.784 1173 3HD1 LEU 38 3HD1 LEU 38 17.189 3.586 13.472 1174 1HD2 LEU 38 1HD2 LEU 38 16.181 2.092 16.126 1175 2HD2 LEU 38 2HD2 LEU 38 16.265 3.826 16.519 1176 3HD2 LEU 38 3HD2 LEU 38 14.710 2.966 16.615 1177 H VAL 39 H VAL 39 11.424 5.813 14.391 1178 HA VAL 39 HA VAL 39 11.989 7.577 12.261 1179 HB VAL 39 HB VAL 39 10.026 6.010 12.558 1180 1HG1 VAL 39 1HG1 VAL 39 8.981 8.280 14.286 1181 2HG1 VAL 39 2HG1 VAL 39 8.055 6.861 13.741 1182 3HG1 VAL 39 3HG1 VAL 39 9.426 6.654 14.857 1183 1HG2 VAL 39 1HG2 VAL 39 10.301 8.351 11.117 1184 2HG2 VAL 39 2HG2 VAL 39 9.018 7.137 10.898 1185 3HG2 VAL 39 3HG2 VAL 39 8.727 8.564 11.921 1186 H ASN 40 H ASN 40 11.452 7.953 15.735 1187 HA ASN 40 HA ASN 40 10.736 10.664 15.596 1188 1HB ASN 40 1HB ASN 40 10.244 9.216 17.573 1189 2HB ASN 40 2HB ASN 40 11.959 9.020 17.875 1190 1HD2 ASN 40 1HD2 ASN 40 11.804 9.897 19.918 1191 2HD2 ASN 40 2HD2 ASN 40 11.596 11.590 20.219 1192 H LEU 41 H LEU 41 13.765 8.773 15.762 1193 HA LEU 41 HA LEU 41 15.425 10.963 16.483 1194 1HB LEU 41 1HB LEU 41 15.671 8.120 15.946 1195 2HB LEU 41 2HB LEU 41 16.990 9.026 15.231 1196 HG LEU 41 HG LEU 41 16.307 9.667 18.059 1197 1HD1 LEU 41 1HD1 LEU 41 18.148 7.511 18.165 1198 2HD1 LEU 41 2HD1 LEU 41 16.519 7.617 18.874 1199 3HD1 LEU 41 3HD1 LEU 41 16.735 6.961 17.233 1200 1HD2 LEU 41 1HD2 LEU 41 18.421 10.180 16.243 1201 2HD2 LEU 41 2HD2 LEU 41 18.266 10.696 17.940 1202 3HD2 LEU 41 3HD2 LEU 41 19.080 9.162 17.546 1203 H ILE 42 H ILE 42 14.827 9.175 13.377 1204 HA ILE 42 HA ILE 42 16.428 10.660 11.753 1205 HB ILE 42 HB ILE 42 13.733 9.420 11.198 1206 1HG1 ILE 42 1HG1 ILE 42 15.240 7.756 11.971 1207 2HG1 ILE 42 2HG1 ILE 42 15.156 7.595 10.228 1208 1HG2 ILE 42 1HG2 ILE 42 14.218 9.529 8.863 1209 2HG2 ILE 42 2HG2 ILE 42 14.387 11.171 9.527 1210 3HG2 ILE 42 3HG2 ILE 42 15.836 10.203 9.167 1211 1HD1 ILE 42 1HD1 ILE 42 17.450 7.575 10.422 1212 2HD1 ILE 42 2HD1 ILE 42 17.239 9.342 10.396 1213 3HD1 ILE 42 3HD1 ILE 42 17.431 8.492 11.948 1214 H GLU 43 H GLU 43 16.630 12.842 11.750 1215 HA GLU 43 HA GLU 43 14.611 14.552 12.527 1216 1HB GLU 43 1HB GLU 43 17.305 14.772 11.951 1217 2HB GLU 43 2HB GLU 43 16.598 15.661 10.616 1218 1HG GLU 43 1HG GLU 43 15.103 16.625 12.730 1219 2HG GLU 43 2HG GLU 43 16.635 16.320 13.524 1220 HA PRO 44 HA PRO 44 13.778 15.091 7.884 1221 1HB PRO 44 1HB PRO 44 14.887 13.351 6.092 1222 2HB PRO 44 2HB PRO 44 15.584 14.914 6.467 1223 1HG PRO 44 1HG PRO 44 16.477 12.230 7.329 1224 2HG PRO 44 2HG PRO 44 17.372 13.737 7.329 1225 1HD PRO 44 1HD PRO 44 16.195 12.441 9.601 1226 2HD PRO 44 2HD PRO 44 16.989 14.003 9.580 1227 H MET 45 H MET 45 11.792 14.462 8.881 1228 HA MET 45 HA MET 45 10.741 12.234 7.454 1229 1HB MET 45 1HB MET 45 11.670 11.971 10.229 1230 2HB MET 45 2HB MET 45 9.940 11.703 10.154 1231 1HG MET 45 1HG MET 45 11.605 10.351 8.045 1232 2HG MET 45 2HG MET 45 11.749 9.731 9.678 1233 1HE MET 45 1HE MET 45 10.710 7.427 9.354 1234 2HE MET 45 2HE MET 45 9.289 7.115 8.328 1235 3HE MET 45 3HE MET 45 10.773 7.788 7.612 1236 H LYS 46 H LYS 46 8.882 13.130 6.675 1237 HA LYS 46 HA LYS 46 7.651 15.326 7.948 1238 1HB LYS 46 1HB LYS 46 7.568 15.112 5.559 1239 2HB LYS 46 2HB LYS 46 6.821 13.530 5.657 1240 1HG LYS 46 1HG LYS 46 4.774 14.499 5.691 1241 2HG LYS 46 2HG LYS 46 5.175 15.293 7.201 1242 1HD LYS 46 1HD LYS 46 5.312 17.306 6.166 1243 2HD LYS 46 2HD LYS 46 6.517 16.695 5.050 1244 1HE LYS 46 1HE LYS 46 5.001 16.502 3.358 1245 2HE LYS 46 2HE LYS 46 3.846 15.670 4.381 1246 1HZ LYS 46 1HZ LYS 46 2.963 17.752 3.703 1247 2HZ LYS 46 2HZ LYS 46 3.255 17.839 5.308 1248 3HZ LYS 46 3HZ LYS 46 4.261 18.576 4.253 1249 H ALA 47 H ALA 47 6.583 11.883 7.470 1250 HA ALA 47 HA ALA 47 5.541 11.783 10.111 1251 1HB ALA 47 1HB ALA 47 3.157 11.246 8.944 1252 2HB ALA 47 2HB ALA 47 3.594 12.855 9.565 1253 3HB ALA 47 3HB ALA 47 3.757 12.496 7.829 1254 H PHE 48 H PHE 48 4.688 9.596 10.596 1255 HA PHE 48 HA PHE 48 5.591 7.668 8.573 1256 1HB PHE 48 1HB PHE 48 7.032 7.855 10.643 1257 2HB PHE 48 2HB PHE 48 5.619 7.617 11.651 1258 HD1 PHE 48 HD1 PHE 48 7.306 5.884 8.797 1259 HD2 PHE 48 HD2 PHE 48 5.348 5.518 12.544 1260 HE1 PHE 48 HE1 PHE 48 7.694 3.405 8.757 1261 HE2 PHE 48 HE2 PHE 48 5.736 3.038 12.504 1262 HZ PHE 48 HZ PHE 48 6.905 2.011 10.611 1263 H HIS 49 H HIS 49 3.961 6.446 7.759 1264 HA HIS 49 HA HIS 49 1.637 6.053 9.501 1265 1HB HIS 49 1HB HIS 49 1.869 7.019 6.785 1266 2HB HIS 49 2HB HIS 49 0.907 5.555 6.819 1267 HD1 HIS 49 HD1 HIS 49 0.245 8.916 6.689 1268 HD2 HIS 49 HD2 HIS 49 -0.917 5.982 9.452 1269 HE1 HIS 49 HE1 HIS 49 -1.848 9.810 7.842 1270 HE2 HIS 49 HE2 HIS 49 -2.547 7.940 9.490 1271 H TRP 50 H TRP 50 0.815 3.955 9.753 1272 HA TRP 50 HA TRP 50 2.194 1.842 8.275 1273 1HB TRP 50 1HB TRP 50 2.994 0.743 10.083 1274 2HB TRP 50 2HB TRP 50 3.173 2.393 10.647 1275 HD1 TRP 50 HD1 TRP 50 1.426 3.202 12.607 1276 HE1 TRP 50 HE1 TRP 50 -0.034 1.930 14.399 1277 HE3 TRP 50 HE3 TRP 50 1.684 -1.349 10.355 1278 HZ2 TRP 50 HZ2 TRP 50 -0.899 -0.777 14.668 1279 HZ3 TRP 50 HZ3 TRP 50 0.504 -3.254 11.448 1280 HH2 TRP 50 HH2 TRP 50 -0.755 -3.023 13.530 1281 H GLY 51 H GLY 51 0.878 -0.087 8.070 1282 1HA GLY 51 1HA GLY 51 -1.712 -0.212 9.305 1283 2HA GLY 51 2HA GLY 51 -1.789 0.266 7.621 1284 H LYS 52 H LYS 52 -2.316 -2.343 9.393 1285 HA LYS 52 HA LYS 52 -0.847 -4.164 7.620 1286 1HB LYS 52 1HB LYS 52 -1.046 -5.836 9.338 1287 2HB LYS 52 2HB LYS 52 -0.352 -4.386 10.034 1288 1HG LYS 52 1HG LYS 52 -2.146 -4.034 11.416 1289 2HG LYS 52 2HG LYS 52 -3.311 -4.425 10.166 1290 1HD LYS 52 1HD LYS 52 -3.439 -6.095 11.969 1291 2HD LYS 52 2HD LYS 52 -2.870 -6.858 10.498 1292 1HE LYS 52 1HE LYS 52 -1.309 -7.697 12.014 1293 2HE LYS 52 2HE LYS 52 -0.457 -6.265 11.469 1294 1HZ LYS 52 1HZ LYS 52 -1.053 -5.128 13.382 1295 2HZ LYS 52 2HZ LYS 52 -2.240 -6.173 13.787 1296 3HZ LYS 52 3HZ LYS 52 -0.676 -6.618 13.933 1297 H ASP 53 H ASP 53 -1.977 -5.753 6.454 1298 HA ASP 53 HA ASP 53 -4.336 -5.093 5.404 1299 1HB ASP 53 1HB ASP 53 -4.609 -7.677 5.046 1300 2HB ASP 53 2HB ASP 53 -3.222 -6.869 4.342 1301 H VAL 54 H VAL 54 -6.370 -4.830 6.334 1302 HA VAL 54 HA VAL 54 -6.901 -6.164 8.859 1303 HB VAL 54 HB VAL 54 -7.348 -3.643 7.974 1304 1HG1 VAL 54 1HG1 VAL 54 -9.972 -5.133 7.618 1305 2HG1 VAL 54 2HG1 VAL 54 -9.787 -3.363 7.659 1306 3HG1 VAL 54 3HG1 VAL 54 -9.038 -4.306 6.347 1307 1HG2 VAL 54 1HG2 VAL 54 -8.058 -5.267 10.237 1308 2HG2 VAL 54 2HG2 VAL 54 -7.760 -3.514 10.161 1309 3HG2 VAL 54 3HG2 VAL 54 -9.397 -4.151 9.874 1310 H SER 55 H SER 55 -7.868 -8.120 8.889 1311 HA SER 55 HA SER 55 -8.923 -9.897 8.191 1312 1HB SER 55 1HB SER 55 -10.765 -7.777 8.383 1313 2HB SER 55 2HB SER 55 -11.187 -8.563 6.875 1314 HG SER 55 HG SER 55 -11.602 -10.490 7.935 1315 H ILE 56 H ILE 56 -7.599 -10.786 6.558 1316 HA ILE 56 HA ILE 56 -7.951 -9.779 3.853 1317 HB ILE 56 HB ILE 56 -5.961 -10.796 3.329 1318 1HG1 ILE 56 1HG1 ILE 56 -6.472 -13.068 3.930 1319 2HG1 ILE 56 2HG1 ILE 56 -4.921 -12.634 4.619 1320 1HG2 ILE 56 1HG2 ILE 56 -4.598 -9.630 4.653 1321 2HG2 ILE 56 2HG2 ILE 56 -6.051 -9.206 5.588 1322 3HG2 ILE 56 3HG2 ILE 56 -5.038 -10.580 6.092 1323 1HD1 ILE 56 1HD1 ILE 56 -6.185 -13.815 6.323 1324 2HD1 ILE 56 2HD1 ILE 56 -6.108 -12.103 6.803 1325 3HD1 ILE 56 3HD1 ILE 56 -7.596 -12.758 6.078 1326 H GLU 57 H GLU 57 -9.587 -11.834 5.880 1327 HA GLU 57 HA GLU 57 -10.712 -13.716 5.642 1328 1HB GLU 57 1HB GLU 57 -11.730 -11.675 4.041 1329 2HB GLU 57 2HB GLU 57 -11.718 -13.042 2.944 1330 1HG GLU 57 1HG GLU 57 -13.725 -13.553 3.924 1331 2HG GLU 57 2HG GLU 57 -12.732 -14.252 5.188 1332 H ASN 58 H ASN 58 -8.518 -14.881 5.351 1333 HA ASN 58 HA ASN 58 -7.305 -16.407 4.402 1334 1HB ASN 58 1HB ASN 58 -9.791 -17.333 4.074 1335 2HB ASN 58 2HB ASN 58 -9.481 -17.034 2.376 1336 1HD2 ASN 58 1HD2 ASN 58 -9.646 -19.263 1.994 1337 2HD2 ASN 58 2HD2 ASN 58 -8.350 -20.360 2.339 1338 H LEU 59 H LEU 59 -6.512 -17.272 2.018 1339 HA LEU 59 HA LEU 59 -5.516 -16.774 0.114 1340 1HB LEU 59 1HB LEU 59 -8.034 -15.207 -0.059 1341 2HB LEU 59 2HB LEU 59 -6.775 -14.822 -1.216 1342 HG LEU 59 HG LEU 59 -8.307 -16.404 -2.187 1343 1HD1 LEU 59 1HD1 LEU 59 -6.700 -17.537 -3.247 1344 2HD1 LEU 59 2HD1 LEU 59 -5.573 -16.695 -2.156 1345 3HD1 LEU 59 3HD1 LEU 59 -6.143 -18.333 -1.755 1346 1HD2 LEU 59 1HD2 LEU 59 -8.096 -18.828 -0.987 1347 2HD2 LEU 59 2HD2 LEU 59 -8.045 -17.751 0.429 1348 3HD2 LEU 59 3HD2 LEU 59 -9.419 -17.673 -0.700 1349 H HIS 60 H HIS 60 -3.503 -16.001 0.517 1350 HA HIS 60 HA HIS 60 -3.021 -13.259 0.263 1351 1HB HIS 60 1HB HIS 60 -2.168 -12.753 2.505 1352 2HB HIS 60 2HB HIS 60 -3.893 -13.061 2.506 1353 HD1 HIS 60 HD1 HIS 60 -0.614 -14.530 3.666 1354 HD2 HIS 60 HD2 HIS 60 -4.722 -15.327 3.963 1355 HE1 HIS 60 HE1 HIS 60 -0.865 -16.335 5.453 1356 HE2 HIS 60 HE2 HIS 60 -3.414 -16.743 5.629 1357 H GLN 61 H GLN 61 -0.938 -13.012 -0.473 1358 HA GLN 61 HA GLN 61 0.550 -15.369 -0.844 1359 1HB GLN 61 1HB GLN 61 0.682 -12.537 -1.683 1360 2HB GLN 61 2HB GLN 61 2.264 -13.259 -1.463 1361 1HG GLN 61 1HG GLN 61 1.478 -13.592 -3.784 1362 2HG GLN 61 2HG GLN 61 1.652 -15.134 -2.970 1363 1HE2 GLN 61 1HE2 GLN 61 -0.485 -12.862 -4.419 1364 2HE2 GLN 61 2HE2 GLN 61 -1.955 -13.773 -4.325 1365 H GLY 62 H GLY 62 0.185 -13.305 1.826 1366 1HA GLY 62 1HA GLY 62 1.225 -13.729 3.870 1367 2HA GLY 62 2HA GLY 62 2.623 -14.387 3.042 1368 H TYR 63 H TYR 63 0.844 -11.267 2.520 1369 HA TYR 63 HA TYR 63 3.309 -9.845 2.352 1370 1HB TYR 63 1HB TYR 63 0.299 -9.335 2.344 1371 2HB TYR 63 2HB TYR 63 1.362 -7.951 2.502 1372 HD1 TYR 63 HD1 TYR 63 2.942 -7.367 0.654 1373 HD2 TYR 63 HD2 TYR 63 0.028 -10.472 0.241 1374 HE1 TYR 63 HE1 TYR 63 3.221 -7.302 -1.872 1375 HE2 TYR 63 HE2 TYR 63 0.316 -10.397 -2.284 1376 HH TYR 63 HH TYR 63 1.596 -9.660 -3.926 1377 H THR 64 H THR 64 0.780 -10.367 4.838 1378 HA THR 64 HA THR 64 0.862 -10.035 7.047 1379 HB THR 64 HB THR 64 3.618 -8.765 6.765 1380 HG1 THR 64 HG1 THR 64 4.305 -11.065 6.765 1381 1HG2 THR 64 1HG2 THR 64 3.591 -9.057 9.031 1382 2HG2 THR 64 2HG2 THR 64 1.983 -9.816 8.941 1383 3HG2 THR 64 3HG2 THR 64 3.448 -10.810 8.756 1384 H HIS 65 H HIS 65 2.453 -7.260 5.334 1385 HA HIS 65 HA HIS 65 0.299 -5.576 5.627 1386 1HB HIS 65 1HB HIS 65 1.143 -4.064 7.446 1387 2HB HIS 65 2HB HIS 65 0.488 -5.598 7.982 1388 HD1 HIS 65 HD1 HIS 65 2.259 -7.441 8.789 1389 HD2 HIS 65 HD2 HIS 65 3.806 -3.600 8.114 1390 HE1 HIS 65 HE1 HIS 65 4.548 -7.383 9.917 1391 HE2 HIS 65 HE2 HIS 65 5.472 -5.017 9.421 1392 H ILE 66 H ILE 66 1.131 -3.129 5.410 1393 HA ILE 66 HA ILE 66 3.681 -3.125 3.986 1394 HB ILE 66 HB ILE 66 2.658 -1.819 2.160 1395 1HG1 ILE 66 1HG1 ILE 66 -0.019 -2.530 2.189 1396 2HG1 ILE 66 2HG1 ILE 66 0.278 -2.079 3.856 1397 1HG2 ILE 66 1HG2 ILE 66 2.539 -3.712 1.001 1398 2HG2 ILE 66 2HG2 ILE 66 2.702 -4.579 2.547 1399 3HG2 ILE 66 3HG2 ILE 66 1.086 -4.244 1.880 1400 1HD1 ILE 66 1HD1 ILE 66 0.123 -0.376 1.480 1401 2HD1 ILE 66 2HD1 ILE 66 0.076 0.082 3.200 1402 3HD1 ILE 66 3HD1 ILE 66 1.640 -0.108 2.371 1403 H PHE 67 H PHE 67 4.927 -1.403 4.545 1404 HA PHE 67 HA PHE 67 3.624 0.614 6.209 1405 1HB PHE 67 1HB PHE 67 6.531 -0.256 5.699 1406 2HB PHE 67 2HB PHE 67 6.109 1.063 6.773 1407 HD1 PHE 67 HD1 PHE 67 7.254 -2.070 6.915 1408 HD2 PHE 67 HD2 PHE 67 3.924 0.134 8.353 1409 HE1 PHE 67 HE1 PHE 67 6.997 -3.695 8.811 1410 HE2 PHE 67 HE2 PHE 67 3.668 -1.491 10.249 1411 HZ PHE 67 HZ PHE 67 5.207 -3.386 10.455 1412 H GLU 68 H GLU 68 3.582 2.779 5.652 1413 HA GLU 68 HA GLU 68 5.013 3.451 3.201 1414 1HB GLU 68 1HB GLU 68 2.235 4.419 4.010 1415 2HB GLU 68 2HB GLU 68 3.107 4.925 2.577 1416 1HG GLU 68 1HG GLU 68 2.451 3.076 1.436 1417 2HG GLU 68 2HG GLU 68 3.051 2.016 2.695 1418 H SER 69 H SER 69 6.094 5.451 3.186 1419 HA SER 69 HA SER 69 5.892 6.912 5.704 1420 1HB SER 69 1HB SER 69 8.077 5.695 5.301 1421 2HB SER 69 2HB SER 69 8.329 6.692 3.882 1422 HG SER 69 HG SER 69 7.834 8.489 5.705 1423 H THR 70 H THR 70 5.202 9.020 5.523 1424 HA THR 70 HA THR 70 4.734 10.076 2.885 1425 HB THR 70 HB THR 70 3.685 11.931 4.273 1426 HG1 THR 70 HG1 THR 70 5.225 11.620 6.072 1427 1HG2 THR 70 1HG2 THR 70 1.851 10.571 4.345 1428 2HG2 THR 70 2HG2 THR 70 2.892 9.131 4.235 1429 3HG2 THR 70 3HG2 THR 70 2.503 9.829 5.825 1430 H PHE 71 H PHE 71 5.993 11.390 1.721 1431 HA PHE 71 HA PHE 71 8.077 12.840 3.183 1432 1HB PHE 71 1HB PHE 71 8.156 10.893 0.871 1433 2HB PHE 71 2HB PHE 71 9.191 12.298 0.708 1434 HD1 PHE 71 HD1 PHE 71 8.713 9.121 2.358 1435 HD2 PHE 71 HD2 PHE 71 10.985 12.705 2.396 1436 HE1 PHE 71 HE1 PHE 71 10.454 8.003 3.779 1437 HE2 PHE 71 HE2 PHE 71 12.726 11.587 3.817 1438 HZ PHE 71 HZ PHE 71 12.440 9.249 4.491 1439 H GLU 72 H GLU 72 9.078 14.611 1.694 1440 HA GLU 72 HA GLU 72 6.997 15.637 -0.065 1441 1HB GLU 72 1HB GLU 72 7.343 17.905 0.819 1442 2HB GLU 72 2HB GLU 72 6.854 16.822 2.107 1443 1HG GLU 72 1HG GLU 72 9.807 17.061 1.651 1444 2HG GLU 72 2HG GLU 72 9.013 18.491 2.279 1445 H SER 73 H SER 73 9.523 14.120 -0.561 1446 HA SER 73 HA SER 73 10.452 15.647 -2.668 1447 1HB SER 73 1HB SER 73 11.669 17.075 -1.219 1448 2HB SER 73 2HB SER 73 12.108 15.768 -0.137 1449 HG SER 73 HG SER 73 13.023 15.595 -2.831 1450 H LYS 74 H LYS 74 10.581 13.877 -4.013 1451 HA LYS 74 HA LYS 74 10.999 11.291 -3.243 1452 1HB LYS 74 1HB LYS 74 11.407 10.823 -5.582 1453 2HB LYS 74 2HB LYS 74 10.123 12.004 -5.427 1454 1HG LYS 74 1HG LYS 74 11.934 13.821 -5.745 1455 2HG LYS 74 2HG LYS 74 13.027 12.527 -6.192 1456 1HD LYS 74 1HD LYS 74 10.340 13.003 -7.562 1457 2HD LYS 74 2HD LYS 74 11.852 13.668 -8.148 1458 1HE LYS 74 1HE LYS 74 12.458 10.953 -7.759 1459 2HE LYS 74 2HE LYS 74 10.813 10.912 -8.360 1460 1HZ LYS 74 1HZ LYS 74 13.208 11.762 -9.691 1461 2HZ LYS 74 2HZ LYS 74 11.857 11.085 -10.309 1462 3HZ LYS 74 3HZ LYS 74 11.895 12.686 -9.988 1463 H GLU 75 H GLU 75 13.370 13.885 -3.846 1464 HA GLU 75 HA GLU 75 15.574 12.137 -3.899 1465 1HB GLU 75 1HB GLU 75 15.349 15.139 -3.429 1466 2HB GLU 75 2HB GLU 75 16.883 14.302 -3.559 1467 1HG GLU 75 1HG GLU 75 15.814 13.344 -5.816 1468 2HG GLU 75 2HG GLU 75 14.783 14.755 -5.686 1469 H ALA 76 H ALA 76 13.718 13.805 -1.369 1470 HA ALA 76 HA ALA 76 15.683 13.504 0.660 1471 1HB ALA 76 1HB ALA 76 13.846 14.193 2.141 1472 2HB ALA 76 2HB ALA 76 13.890 15.218 0.687 1473 3HB ALA 76 3HB ALA 76 12.671 13.929 0.831 1474 H VAL 77 H VAL 77 13.128 11.485 -0.755 1475 HA VAL 77 HA VAL 77 12.907 9.673 1.383 1476 HB VAL 77 HB VAL 77 12.411 9.335 -1.582 1477 1HG1 VAL 77 1HG1 VAL 77 11.059 7.436 -1.049 1478 2HG1 VAL 77 2HG1 VAL 77 12.633 7.199 -0.252 1479 3HG1 VAL 77 3HG1 VAL 77 11.224 7.728 0.699 1480 1HG2 VAL 77 1HG2 VAL 77 11.112 10.982 0.313 1481 2HG2 VAL 77 2HG2 VAL 77 10.580 10.584 -1.339 1482 3HG2 VAL 77 3HG2 VAL 77 10.036 9.591 0.036 1483 H ALA 78 H ALA 78 15.253 10.132 -1.233 1484 HA ALA 78 HA ALA 78 16.364 7.522 -1.046 1485 1HB ALA 78 1HB ALA 78 18.235 9.445 -2.063 1486 2HB ALA 78 2HB ALA 78 17.281 8.242 -2.964 1487 3HB ALA 78 3HB ALA 78 16.616 9.867 -2.671 1488 H GLU 79 H GLU 79 17.180 10.782 0.294 1489 HA GLU 79 HA GLU 79 19.531 10.065 1.496 1490 1HB GLU 79 1HB GLU 79 18.263 12.383 1.239 1491 2HB GLU 79 2HB GLU 79 17.639 12.008 2.833 1492 1HG GLU 79 1HG GLU 79 19.688 12.286 3.860 1493 2HG GLU 79 2HG GLU 79 20.578 11.596 2.517 1494 H TYR 80 H TYR 80 16.135 9.686 2.603 1495 HA TYR 80 HA TYR 80 16.708 8.962 5.243 1496 1HB TYR 80 1HB TYR 80 14.443 9.523 4.599 1497 2HB TYR 80 2HB TYR 80 14.524 8.539 3.151 1498 HD1 TYR 80 HD1 TYR 80 13.012 6.789 3.196 1499 HD2 TYR 80 HD2 TYR 80 15.020 7.862 6.819 1500 HE1 TYR 80 HE1 TYR 80 11.828 4.902 4.420 1501 HE2 TYR 80 HE2 TYR 80 13.828 5.971 8.030 1502 HH TYR 80 HH TYR 80 12.821 3.729 7.314 1503 H ILE 81 H ILE 81 16.278 6.986 2.237 1504 HA ILE 81 HA ILE 81 16.645 4.535 3.616 1505 HB ILE 81 HB ILE 81 16.761 5.251 0.685 1506 1HG1 ILE 81 1HG1 ILE 81 14.522 3.991 2.294 1507 2HG1 ILE 81 2HG1 ILE 81 14.599 5.690 1.871 1508 1HG2 ILE 81 1HG2 ILE 81 18.009 3.175 1.208 1509 2HG2 ILE 81 2HG2 ILE 81 16.536 2.506 1.949 1510 3HG2 ILE 81 3HG2 ILE 81 16.562 2.892 0.211 1511 1HD1 ILE 81 1HD1 ILE 81 13.945 3.347 0.170 1512 2HD1 ILE 81 2HD1 ILE 81 13.454 5.049 -0.001 1513 3HD1 ILE 81 3HD1 ILE 81 15.048 4.520 -0.590 1514 H ALA 82 H ALA 82 18.760 7.055 2.478 1515 HA ALA 82 HA ALA 82 21.040 5.230 2.462 1516 1HB ALA 82 1HB ALA 82 21.567 6.556 0.717 1517 2HB ALA 82 2HB ALA 82 20.309 7.739 1.147 1518 3HB ALA 82 3HB ALA 82 21.914 7.830 1.909 1519 H HIS 83 H HIS 83 19.521 5.825 4.936 1520 HA HIS 83 HA HIS 83 21.443 7.514 6.338 1521 1HB HIS 83 1HB HIS 83 18.761 7.643 6.384 1522 2HB HIS 83 2HB HIS 83 18.987 6.480 7.676 1523 HD1 HIS 83 HD1 HIS 83 19.653 7.382 9.943 1524 HD2 HIS 83 HD2 HIS 83 20.148 10.197 6.872 1525 HE1 HIS 83 HE1 HIS 83 20.235 9.590 11.083 1526 HE2 HIS 83 HE2 HIS 83 20.580 11.267 9.143 1527 HA PRO 84 HA PRO 84 23.163 4.004 8.198 1528 1HB PRO 84 1HB PRO 84 24.412 5.136 10.348 1529 2HB PRO 84 2HB PRO 84 25.089 5.147 8.732 1530 1HG PRO 84 1HG PRO 84 23.813 7.358 10.223 1531 2HG PRO 84 2HG PRO 84 24.855 7.440 8.816 1532 1HD PRO 84 1HD PRO 84 22.004 7.750 8.860 1533 2HD PRO 84 2HD PRO 84 23.033 7.716 7.442 1534 H ALA 85 H ALA 85 21.338 6.134 10.297 1535 HA ALA 85 HA ALA 85 21.002 4.316 12.374 1536 1HB ALA 85 1HB ALA 85 20.315 6.926 11.842 1537 2HB ALA 85 2HB ALA 85 18.730 6.119 11.793 1538 3HB ALA 85 3HB ALA 85 19.748 5.993 13.248 1539 H HIS 86 H HIS 86 19.079 4.915 9.371 1540 HA HIS 86 HA HIS 86 17.102 3.027 10.025 1541 1HB HIS 86 1HB HIS 86 16.506 4.702 8.493 1542 2HB HIS 86 2HB HIS 86 17.934 4.453 7.508 1543 HD1 HIS 86 HD1 HIS 86 14.532 2.957 8.229 1544 HD2 HIS 86 HD2 HIS 86 17.721 2.456 5.550 1545 HE1 HIS 86 HE1 HIS 86 13.689 1.393 6.398 1546 HE2 HIS 86 HE2 HIS 86 15.673 1.166 4.753 1547 H VAL 87 H VAL 87 20.125 2.908 8.051 1548 HA VAL 87 HA VAL 87 19.803 0.340 7.071 1549 HB VAL 87 HB VAL 87 21.859 2.357 7.290 1550 1HG1 VAL 87 1HG1 VAL 87 22.765 -0.529 7.565 1551 2HG1 VAL 87 2HG1 VAL 87 23.819 0.836 7.123 1552 3HG1 VAL 87 3HG1 VAL 87 23.040 0.795 8.723 1553 1HG2 VAL 87 1HG2 VAL 87 22.511 1.478 5.107 1554 2HG2 VAL 87 2HG2 VAL 87 21.504 0.034 5.365 1555 3HG2 VAL 87 3HG2 VAL 87 20.741 1.634 5.209 1556 H GLU 88 H GLU 88 21.131 1.537 10.199 1557 HA GLU 88 HA GLU 88 22.155 -0.832 11.093 1558 1HB GLU 88 1HB GLU 88 22.203 1.580 12.112 1559 2HB GLU 88 2HB GLU 88 20.727 1.113 12.933 1560 1HG GLU 88 1HG GLU 88 22.360 0.499 14.507 1561 2HG GLU 88 2HG GLU 88 22.078 -1.020 13.679 1562 H PHE 89 H PHE 89 18.790 0.470 11.353 1563 HA PHE 89 HA PHE 89 17.877 -1.806 12.804 1564 1HB PHE 89 1HB PHE 89 17.018 0.833 11.946 1565 2HB PHE 89 2HB PHE 89 15.820 -0.304 11.362 1566 HD1 PHE 89 HD1 PHE 89 17.769 -0.669 14.487 1567 HD2 PHE 89 HD2 PHE 89 14.013 0.288 12.761 1568 HE1 PHE 89 HE1 PHE 89 16.711 -0.722 16.763 1569 HE2 PHE 89 HE2 PHE 89 12.954 0.236 15.036 1570 HZ PHE 89 HZ PHE 89 14.316 -0.268 17.010 1571 H ALA 90 H ALA 90 17.665 -0.640 9.385 1572 HA ALA 90 HA ALA 90 15.971 -2.620 8.446 1573 1HB ALA 90 1HB ALA 90 17.873 -0.632 7.362 1574 2HB ALA 90 2HB ALA 90 17.619 -2.049 6.315 1575 3HB ALA 90 3HB ALA 90 16.231 -1.057 6.822 1576 H THR 91 H THR 91 19.546 -2.563 8.898 1577 HA THR 91 HA THR 91 20.089 -4.982 7.613 1578 HB THR 91 HB THR 91 21.451 -3.478 9.907 1579 HG1 THR 91 HG1 THR 91 21.836 -3.780 7.010 1580 1HG2 THR 91 1HG2 THR 91 22.189 -5.944 9.611 1581 2HG2 THR 91 2HG2 THR 91 22.697 -5.484 7.968 1582 3HG2 THR 91 3HG2 THR 91 23.461 -4.720 9.383 1583 H ILE 92 H ILE 92 18.939 -4.264 10.927 1584 HA ILE 92 HA ILE 92 19.319 -6.916 11.843 1585 HB ILE 92 HB ILE 92 17.914 -4.465 12.817 1586 1HG1 ILE 92 1HG1 ILE 92 19.972 -6.212 14.183 1587 2HG1 ILE 92 2HG1 ILE 92 20.412 -4.932 13.069 1588 1HG2 ILE 92 1HG2 ILE 92 17.662 -7.198 14.104 1589 2HG2 ILE 92 2HG2 ILE 92 17.110 -5.652 14.792 1590 3HG2 ILE 92 3HG2 ILE 92 16.354 -6.288 13.311 1591 1HD1 ILE 92 1HD1 ILE 92 20.297 -4.358 15.609 1592 2HD1 ILE 92 2HD1 ILE 92 19.531 -3.227 14.468 1593 3HD1 ILE 92 3HD1 ILE 92 18.531 -4.377 15.387 1594 H PHE 93 H PHE 93 16.593 -5.091 10.360 1595 HA PHE 93 HA PHE 93 14.722 -7.170 10.704 1596 1HB PHE 93 1HB PHE 93 14.718 -4.513 9.987 1597 2HB PHE 93 2HB PHE 93 14.637 -5.219 8.385 1598 HD1 PHE 93 HD1 PHE 93 12.503 -3.489 9.431 1599 HD2 PHE 93 HD2 PHE 93 13.019 -7.688 9.770 1600 HE1 PHE 93 HE1 PHE 93 10.022 -3.774 9.682 1601 HE2 PHE 93 HE2 PHE 93 10.538 -7.972 10.021 1602 HZ PHE 93 HZ PHE 93 9.069 -6.012 9.973 1603 H LEU 94 H LEU 94 16.801 -6.124 7.922 1604 HA LEU 94 HA LEU 94 15.839 -7.951 6.084 1605 1HB LEU 94 1HB LEU 94 17.310 -6.959 4.774 1606 2HB LEU 94 2HB LEU 94 17.714 -5.948 6.148 1607 HG LEU 94 HG LEU 94 19.455 -7.750 6.748 1608 1HD1 LEU 94 1HD1 LEU 94 19.747 -9.532 5.455 1609 2HD1 LEU 94 2HD1 LEU 94 18.260 -9.073 4.590 1610 3HD1 LEU 94 3HD1 LEU 94 19.844 -8.529 3.987 1611 1HD2 LEU 94 1HD2 LEU 94 20.110 -6.363 4.166 1612 2HD2 LEU 94 2HD2 LEU 94 19.753 -5.416 5.630 1613 3HD2 LEU 94 3HD2 LEU 94 21.102 -6.577 5.629 1614 H GLY 95 H GLY 95 18.043 -8.338 8.840 1615 1HA GLY 95 1HA GLY 95 19.260 -10.750 8.110 1616 2HA GLY 95 2HA GLY 95 19.013 -10.154 9.739 1617 H SER 96 H SER 96 16.027 -9.987 9.447 1618 HA SER 96 HA SER 96 15.409 -12.808 9.152 1619 1HB SER 96 1HB SER 96 13.949 -12.593 11.246 1620 2HB SER 96 2HB SER 96 15.680 -12.646 11.516 1621 HG SER 96 HG SER 96 14.343 -10.915 12.658 1622 H LEU 97 H LEU 97 14.813 -11.231 7.097 1623 HA LEU 97 HA LEU 97 12.016 -10.442 7.531 1624 1HB LEU 97 1HB LEU 97 14.182 -8.893 6.632 1625 2HB LEU 97 2HB LEU 97 13.228 -9.241 5.204 1626 HG LEU 97 HG LEU 97 11.996 -8.132 7.731 1627 1HD1 LEU 97 1HD1 LEU 97 12.072 -5.913 6.453 1628 2HD1 LEU 97 2HD1 LEU 97 13.573 -6.477 7.226 1629 3HD1 LEU 97 3HD1 LEU 97 13.350 -6.667 5.470 1630 1HD2 LEU 97 1HD2 LEU 97 10.068 -8.231 6.638 1631 2HD2 LEU 97 2HD2 LEU 97 10.751 -7.358 5.246 1632 3HD2 LEU 97 3HD2 LEU 97 10.898 -9.129 5.345 1633 H ASP 98 H ASP 98 10.470 -11.191 6.061 1634 HA ASP 98 HA ASP 98 11.263 -13.537 4.687 1635 1HB ASP 98 1HB ASP 98 9.098 -13.577 5.709 1636 2HB ASP 98 2HB ASP 98 8.659 -12.016 5.044 1637 H LYS 99 H LYS 99 9.348 -10.610 3.633 1638 HA LYS 99 HA LYS 99 10.858 -10.661 1.118 1639 1HB LYS 99 1HB LYS 99 7.868 -10.550 1.518 1640 2HB LYS 99 2HB LYS 99 8.618 -9.899 0.075 1641 1HG LYS 99 1HG LYS 99 9.758 -12.513 0.617 1642 2HG LYS 99 2HG LYS 99 8.012 -12.642 0.663 1643 1HD LYS 99 1HD LYS 99 9.431 -11.188 -1.605 1644 2HD LYS 99 2HD LYS 99 9.192 -12.924 -1.645 1645 1HE LYS 99 1HE LYS 99 6.654 -12.006 -0.945 1646 2HE LYS 99 2HE LYS 99 7.216 -10.740 -2.019 1647 1HZ LYS 99 1HZ LYS 99 6.722 -12.102 -3.658 1648 2HZ LYS 99 2HZ LYS 99 7.941 -13.090 -3.205 1649 3HZ LYS 99 3HZ LYS 99 6.427 -13.357 -2.655 1650 H VAL 100 H VAL 100 10.865 -8.524 -0.010 1651 HA VAL 100 HA VAL 100 10.129 -6.260 1.619 1652 HB VAL 100 HB VAL 100 12.473 -5.343 1.460 1653 1HG1 VAL 100 1HG1 VAL 100 11.490 -6.137 3.570 1654 2HG1 VAL 100 2HG1 VAL 100 12.058 -7.787 3.216 1655 3HG1 VAL 100 3HG1 VAL 100 13.235 -6.480 3.495 1656 1HG2 VAL 100 1HG2 VAL 100 13.552 -6.720 -0.119 1657 2HG2 VAL 100 2HG2 VAL 100 14.265 -7.181 1.446 1658 3HG2 VAL 100 3HG2 VAL 100 13.026 -8.214 0.692 1659 H LEU 101 H LEU 101 9.052 -5.024 0.176 1660 HA LEU 101 HA LEU 101 10.293 -4.701 -2.458 1661 1HB LEU 101 1HB LEU 101 8.586 -6.237 -2.902 1662 2HB LEU 101 2HB LEU 101 7.458 -5.453 -1.814 1663 HG LEU 101 HG LEU 101 6.970 -5.172 -4.256 1664 1HD1 LEU 101 1HD1 LEU 101 6.421 -3.528 -2.237 1665 2HD1 LEU 101 2HD1 LEU 101 7.424 -2.421 -3.203 1666 3HD1 LEU 101 3HD1 LEU 101 5.969 -3.156 -3.918 1667 1HD2 LEU 101 1HD2 LEU 101 8.284 -3.922 -5.695 1668 2HD2 LEU 101 2HD2 LEU 101 9.174 -3.132 -4.370 1669 3HD2 LEU 101 3HD2 LEU 101 9.495 -4.838 -4.766 1670 H VAL 102 H VAL 102 10.537 -2.599 -3.060 1671 HA VAL 102 HA VAL 102 9.135 -0.627 -1.390 1672 HB VAL 102 HB VAL 102 11.825 -0.469 -2.765 1673 1HG1 VAL 102 1HG1 VAL 102 11.440 1.745 -2.739 1674 2HG1 VAL 102 2HG1 VAL 102 10.043 1.585 -1.648 1675 3HG1 VAL 102 3HG1 VAL 102 11.692 1.626 -0.981 1676 1HG2 VAL 102 1HG2 VAL 102 12.810 -1.096 -0.844 1677 2HG2 VAL 102 2HG2 VAL 102 11.697 -0.129 0.153 1678 3HG2 VAL 102 3HG2 VAL 102 11.215 -1.750 -0.403 1679 H ILE 103 H ILE 103 7.716 0.706 -2.402 1680 HA ILE 103 HA ILE 103 8.116 1.278 -5.213 1681 HB ILE 103 HB ILE 103 5.774 -0.268 -4.135 1682 1HG1 ILE 103 1HG1 ILE 103 7.692 -1.527 -5.038 1683 2HG1 ILE 103 2HG1 ILE 103 6.230 -1.761 -5.976 1684 1HG2 ILE 103 1HG2 ILE 103 4.837 1.666 -5.282 1685 2HG2 ILE 103 2HG2 ILE 103 5.856 1.338 -6.704 1686 3HG2 ILE 103 3HG2 ILE 103 4.586 0.183 -6.234 1687 1HD1 ILE 103 1HD1 ILE 103 7.240 -0.977 -7.843 1688 2HD1 ILE 103 2HD1 ILE 103 7.678 0.537 -7.016 1689 3HD1 ILE 103 3HD1 ILE 103 8.759 -0.874 -6.922 1690 H ASP 104 H ASP 104 6.665 3.077 -5.940 1691 HA ASP 104 HA ASP 104 5.930 4.683 -3.619 1692 1HB ASP 104 1HB ASP 104 7.076 5.491 -6.327 1693 2HB ASP 104 2HB ASP 104 6.353 6.655 -5.234 1694 H TYR 105 H TYR 105 3.799 5.519 -3.651 1695 HA TYR 105 HA TYR 105 2.302 5.141 -6.157 1696 1HB TYR 105 1HB TYR 105 1.252 3.574 -4.749 1697 2HB TYR 105 2HB TYR 105 1.945 4.288 -3.307 1698 HD1 TYR 105 HD1 TYR 105 0.277 4.798 -1.782 1699 HD2 TYR 105 HD2 TYR 105 -0.410 5.599 -5.928 1700 HE1 TYR 105 HE1 TYR 105 -1.977 5.830 -1.217 1701 HE2 TYR 105 HE2 TYR 105 -2.661 6.628 -5.349 1702 HH TYR 105 HH TYR 105 -4.254 6.101 -2.701 1703 H LYS 106 H LYS 106 1.375 6.964 -6.953 1704 HA LYS 106 HA LYS 106 1.084 9.202 -5.071 1705 1HB LYS 106 1HB LYS 106 2.591 9.038 -7.460 1706 2HB LYS 106 2HB LYS 106 1.197 10.031 -7.836 1707 1HG LYS 106 1HG LYS 106 1.898 11.012 -5.342 1708 2HG LYS 106 2HG LYS 106 3.467 10.578 -5.989 1709 1HD LYS 106 1HD LYS 106 3.409 12.213 -7.612 1710 2HD LYS 106 2HD LYS 106 1.697 11.998 -7.919 1711 1HE LYS 106 1HE LYS 106 1.093 13.629 -6.424 1712 2HE LYS 106 2HE LYS 106 2.253 13.095 -5.223 1713 1HZ LYS 106 1HZ LYS 106 2.652 14.932 -7.441 1714 2HZ LYS 106 2HZ LYS 106 3.109 15.082 -5.881 1715 3HZ LYS 106 3HZ LYS 106 3.933 14.089 -6.880 1716 HA PRO 107 HA PRO 107 -3.111 9.228 -6.080 1717 1HB PRO 107 1HB PRO 107 -3.791 11.849 -5.709 1718 2HB PRO 107 2HB PRO 107 -3.597 10.713 -4.389 1719 1HG PRO 107 1HG PRO 107 -1.779 12.877 -5.252 1720 2HG PRO 107 2HG PRO 107 -1.823 12.027 -3.721 1721 1HD PRO 107 1HD PRO 107 0.054 11.626 -5.852 1722 2HD PRO 107 2HD PRO 107 -0.063 10.698 -4.371 1723 H THR 108 H THR 108 -3.329 8.524 -8.165 1724 HA THR 108 HA THR 108 -3.582 10.760 -10.060 1725 HB THR 108 HB THR 108 -2.111 8.098 -10.352 1726 HG1 THR 108 HG1 THR 108 -1.598 10.956 -10.796 1727 1HG2 THR 108 1HG2 THR 108 -2.043 9.938 -12.652 1728 2HG2 THR 108 2HG2 THR 108 -2.313 8.178 -12.633 1729 3HG2 THR 108 3HG2 THR 108 -3.678 9.291 -12.378 1730 H SER 109 H SER 109 -5.857 10.471 -9.091 1731 HA SER 109 HA SER 109 -7.188 8.144 -10.103 1732 1HB SER 109 1HB SER 109 -8.183 10.592 -8.582 1733 2HB SER 109 2HB SER 109 -9.224 9.268 -9.064 1734 HG SER 109 HG SER 109 -8.434 8.020 -7.493 1735 H VAL 110 H VAL 110 -9.181 8.365 -11.501 1736 HA VAL 110 HA VAL 110 -8.663 10.355 -13.560 1737 HB VAL 110 HB VAL 110 -8.895 7.881 -14.004 1738 1HG1 VAL 110 1HG1 VAL 110 -10.814 7.527 -12.440 1739 2HG1 VAL 110 2HG1 VAL 110 -11.852 8.417 -13.579 1740 3HG1 VAL 110 3HG1 VAL 110 -11.092 6.887 -14.078 1741 1HG2 VAL 110 1HG2 VAL 110 -11.035 9.137 -15.622 1742 2HG2 VAL 110 2HG2 VAL 110 -9.500 10.036 -15.550 1743 3HG2 VAL 110 3HG2 VAL 110 -9.519 8.353 -16.127 1744 H SER 111 H SER 111 -10.123 11.966 -14.151 1745 HA SER 111 HA SER 111 -11.891 12.754 -12.117 1746 1HB SER 111 1HB SER 111 -12.532 14.237 -14.425 1747 2HB SER 111 2HB SER 111 -11.430 14.710 -13.147 1748 HG SER 111 HG SER 111 -9.723 14.293 -14.401 1749 H LEU 112 H LEU 112 -14.097 12.402 -11.899 1750 HA LEU 112 HA LEU 112 -15.289 10.509 -13.684 1751 1HB LEU 112 1HB LEU 112 -16.434 12.002 -11.319 1752 2HB LEU 112 2HB LEU 112 -17.195 10.662 -12.153 1753 HG LEU 112 HG LEU 112 -14.488 10.034 -11.204 1754 1HD1 LEU 112 1HD1 LEU 112 -14.886 11.429 -9.356 1755 2HD1 LEU 112 2HD1 LEU 112 -16.595 10.946 -9.245 1756 3HD1 LEU 112 3HD1 LEU 112 -15.314 9.793 -8.800 1757 1HD2 LEU 112 1HD2 LEU 112 -15.641 8.023 -10.353 1758 2HD2 LEU 112 2HD2 LEU 112 -17.200 8.730 -10.843 1759 3HD2 LEU 112 3HD2 LEU 112 -15.977 8.333 -12.074 Start of MODEL 12 1 1H GLY 1 1H GLY 1 -22.099 19.473 -0.592 2 1HA GLY 1 1HA GLY 1 -22.319 18.089 1.197 3 2HA GLY 1 2HA GLY 1 -20.572 18.046 1.065 4 H SER 2 H SER 2 -19.620 18.284 3.037 5 HA SER 2 HA SER 2 -20.227 20.602 4.552 6 1HB SER 2 1HB SER 2 -21.816 18.420 5.159 7 2HB SER 2 2HB SER 2 -20.490 18.200 6.283 8 HG SER 2 HG SER 2 -21.640 20.808 6.031 9 H HIS 3 H HIS 3 -18.548 21.030 6.146 10 HA HIS 3 HA HIS 3 -16.048 20.358 5.492 11 1HB HIS 3 1HB HIS 3 -17.376 21.542 7.759 12 2HB HIS 3 2HB HIS 3 -16.047 20.549 8.322 13 HD1 HIS 3 HD1 HIS 3 -13.768 21.599 8.249 14 HD2 HIS 3 HD2 HIS 3 -16.487 23.513 5.692 15 HE1 HIS 3 HE1 HIS 3 -12.555 23.639 7.313 16 HE2 HIS 3 HE2 HIS 3 -14.257 24.744 5.707 17 H MET 4 H MET 4 -17.833 18.742 8.224 18 HA MET 4 HA MET 4 -17.712 16.734 9.046 19 1HB MET 4 1HB MET 4 -17.773 16.355 6.293 20 2HB MET 4 2HB MET 4 -16.314 15.479 6.708 21 1HG MET 4 1HG MET 4 -18.522 14.901 8.583 22 2HG MET 4 2HG MET 4 -18.945 14.511 6.927 23 1HE MET 4 1HE MET 4 -17.705 11.467 6.172 24 2HE MET 4 2HE MET 4 -18.572 11.322 7.720 25 3HE MET 4 3HE MET 4 -19.076 12.545 6.529 26 H GLU 5 H GLU 5 -16.224 16.885 10.718 27 HA GLU 5 HA GLU 5 -13.601 17.404 10.532 28 1HB GLU 5 1HB GLU 5 -13.530 15.797 12.689 29 2HB GLU 5 2HB GLU 5 -14.289 17.376 12.728 30 1HG GLU 5 1HG GLU 5 -16.060 15.179 11.766 31 2HG GLU 5 2HG GLU 5 -15.543 15.018 13.433 32 H GLU 6 H GLU 6 -11.630 16.025 10.741 33 HA GLU 6 HA GLU 6 -11.939 13.718 9.029 34 1HB GLU 6 1HB GLU 6 -9.532 13.876 8.683 35 2HB GLU 6 2HB GLU 6 -10.237 15.468 8.482 36 1HG GLU 6 1HG GLU 6 -9.673 15.861 10.989 37 2HG GLU 6 2HG GLU 6 -8.697 14.409 10.888 38 H ALA 7 H ALA 7 -12.148 11.722 9.934 39 HA ALA 7 HA ALA 7 -11.067 11.365 12.637 40 1HB ALA 7 1HB ALA 7 -12.726 9.653 12.909 41 2HB ALA 7 2HB ALA 7 -13.548 11.044 12.162 42 3HB ALA 7 3HB ALA 7 -13.093 9.641 11.167 43 H LYS 8 H LYS 8 -11.023 8.507 12.587 44 HA LYS 8 HA LYS 8 -8.484 8.023 11.695 45 1HB LYS 8 1HB LYS 8 -8.967 5.685 12.068 46 2HB LYS 8 2HB LYS 8 -9.722 6.647 13.322 47 1HG LYS 8 1HG LYS 8 -11.887 6.575 11.980 48 2HG LYS 8 2HG LYS 8 -11.106 5.469 10.868 49 1HD LYS 8 1HD LYS 8 -11.968 3.863 12.264 50 2HD LYS 8 2HD LYS 8 -10.533 4.198 13.213 51 1HE LYS 8 1HE LYS 8 -11.702 5.414 14.828 52 2HE LYS 8 2HE LYS 8 -12.919 5.966 13.695 53 1HZ LYS 8 1HZ LYS 8 -12.760 3.130 14.330 54 2HZ LYS 8 2HZ LYS 8 -13.484 4.144 15.385 55 3HZ LYS 8 3HZ LYS 8 -14.054 4.009 13.861 56 H GLY 9 H GLY 9 -11.620 7.353 10.008 57 1HA GLY 9 1HA GLY 9 -10.574 6.172 7.722 58 2HA GLY 9 2HA GLY 9 -12.085 7.052 7.831 59 HA PRO 10 HA PRO 10 -12.185 6.874 5.862 60 1HB PRO 10 1HB PRO 10 -11.692 6.748 3.177 61 2HB PRO 10 2HB PRO 10 -12.829 7.874 3.891 62 1HG PRO 10 1HG PRO 10 -10.119 8.397 2.831 63 2HG PRO 10 2HG PRO 10 -11.413 9.536 3.146 64 1HD PRO 10 1HD PRO 10 -9.080 9.099 4.757 65 2HD PRO 10 2HD PRO 10 -10.430 10.153 5.131 66 H VAL 11 H VAL 11 -12.079 4.768 4.343 67 HA VAL 11 HA VAL 11 -9.552 3.537 5.196 68 HB VAL 11 HB VAL 11 -12.388 2.615 5.074 69 1HG1 VAL 11 1HG1 VAL 11 -11.710 0.846 3.799 70 2HG1 VAL 11 2HG1 VAL 11 -10.012 0.973 4.319 71 3HG1 VAL 11 3HG1 VAL 11 -11.220 0.227 5.394 72 1HG2 VAL 11 1HG2 VAL 11 -10.331 1.661 7.035 73 2HG2 VAL 11 2HG2 VAL 11 -10.902 3.343 7.144 74 3HG2 VAL 11 3HG2 VAL 11 -12.063 2.000 7.267 75 H LYS 12 H LYS 12 -8.293 2.438 3.692 76 HA LYS 12 HA LYS 12 -9.357 2.353 0.964 77 1HB LYS 12 1HB LYS 12 -6.999 3.002 0.222 78 2HB LYS 12 2HB LYS 12 -8.029 4.274 0.847 79 1HG LYS 12 1HG LYS 12 -6.866 4.387 2.914 80 2HG LYS 12 2HG LYS 12 -6.198 2.776 2.742 81 1HD LYS 12 1HD LYS 12 -4.428 3.499 1.464 82 2HD LYS 12 2HD LYS 12 -5.409 4.638 0.563 83 1HE LYS 12 1HE LYS 12 -4.603 5.121 3.465 84 2HE LYS 12 2HE LYS 12 -3.614 5.648 2.118 85 1HZ LYS 12 1HZ LYS 12 -6.068 6.528 1.467 86 2HZ LYS 12 2HZ LYS 12 -6.049 6.740 3.086 87 3HZ LYS 12 3HZ LYS 12 -4.897 7.432 2.158 88 H HIS 13 H HIS 13 -8.987 0.445 -0.102 89 HA HIS 13 HA HIS 13 -7.584 -1.567 1.460 90 1HB HIS 13 1HB HIS 13 -9.312 -2.824 0.867 91 2HB HIS 13 2HB HIS 13 -9.951 -1.534 -0.133 92 HD1 HIS 13 HD1 HIS 13 -9.208 -4.924 -0.463 93 HD2 HIS 13 HD2 HIS 13 -8.174 -1.568 -2.757 94 HE1 HIS 13 HE1 HIS 13 -8.608 -5.802 -2.782 95 HE2 HIS 13 HE2 HIS 13 -8.034 -3.689 -4.162 96 H VAL 14 H VAL 14 -5.811 -2.751 0.657 97 HA VAL 14 HA VAL 14 -4.581 -1.528 -1.710 98 HB VAL 14 HB VAL 14 -3.490 -2.800 0.788 99 1HG1 VAL 14 1HG1 VAL 14 -1.263 -2.806 -0.160 100 2HG1 VAL 14 2HG1 VAL 14 -2.333 -3.797 -1.182 101 3HG1 VAL 14 3HG1 VAL 14 -1.874 -2.157 -1.700 102 1HG2 VAL 14 1HG2 VAL 14 -2.315 -0.724 1.058 103 2HG2 VAL 14 2HG2 VAL 14 -2.784 -0.181 -0.570 104 3HG2 VAL 14 3HG2 VAL 14 -4.017 -0.343 0.704 105 H LEU 15 H LEU 15 -4.275 -2.744 -3.520 106 HA LEU 15 HA LEU 15 -4.445 -5.649 -3.210 107 1HB LEU 15 1HB LEU 15 -6.629 -5.152 -3.853 108 2HB LEU 15 2HB LEU 15 -6.130 -3.888 -4.960 109 HG LEU 15 HG LEU 15 -5.474 -6.801 -5.434 110 1HD1 LEU 15 1HD1 LEU 15 -8.060 -5.524 -5.556 111 2HD1 LEU 15 2HD1 LEU 15 -7.546 -6.052 -7.176 112 3HD1 LEU 15 3HD1 LEU 15 -7.614 -7.224 -5.838 113 1HD2 LEU 15 1HD2 LEU 15 -4.236 -5.928 -7.062 114 2HD2 LEU 15 2HD2 LEU 15 -5.760 -5.467 -7.858 115 3HD2 LEU 15 3HD2 LEU 15 -4.914 -4.302 -6.811 116 H LEU 16 H LEU 16 -2.906 -6.750 -4.356 117 HA LEU 16 HA LEU 16 -1.479 -5.227 -6.413 118 1HB LEU 16 1HB LEU 16 0.178 -7.044 -4.815 119 2HB LEU 16 2HB LEU 16 0.532 -5.455 -5.464 120 HG LEU 16 HG LEU 16 -1.111 -4.663 -3.534 121 1HD1 LEU 16 1HD1 LEU 16 -0.906 -6.025 -1.518 122 2HD1 LEU 16 2HD1 LEU 16 -1.728 -6.922 -2.817 123 3HD1 LEU 16 3HD1 LEU 16 -0.025 -7.271 -2.434 124 1HD2 LEU 16 1HD2 LEU 16 0.760 -3.703 -2.833 125 2HD2 LEU 16 2HD2 LEU 16 1.379 -5.254 -2.217 126 3HD2 LEU 16 3HD2 LEU 16 1.680 -4.785 -3.907 127 H ALA 17 H ALA 17 -1.397 -6.297 -8.317 128 HA ALA 17 HA ALA 17 -1.439 -9.214 -8.236 129 1HB ALA 17 1HB ALA 17 -3.249 -9.343 -9.827 130 2HB ALA 17 2HB ALA 17 -3.798 -8.333 -8.469 131 3HB ALA 17 3HB ALA 17 -3.297 -7.572 -9.998 132 H SER 18 H SER 18 -0.753 -10.156 -10.361 133 HA SER 18 HA SER 18 0.917 -8.226 -11.773 134 1HB SER 18 1HB SER 18 1.839 -10.340 -10.286 135 2HB SER 18 2HB SER 18 1.687 -11.108 -11.854 136 HG SER 18 HG SER 18 3.692 -9.573 -11.026 137 H PHE 19 H PHE 19 0.327 -7.951 -13.894 138 HA PHE 19 HA PHE 19 -1.726 -9.478 -15.030 139 1HB PHE 19 1HB PHE 19 0.251 -7.325 -15.759 140 2HB PHE 19 2HB PHE 19 -0.389 -8.216 -17.126 141 HD1 PHE 19 HD1 PHE 19 -1.011 -5.626 -14.741 142 HD2 PHE 19 HD2 PHE 19 -2.919 -8.316 -17.412 143 HE1 PHE 19 HE1 PHE 19 -3.072 -4.195 -14.709 144 HE2 PHE 19 HE2 PHE 19 -4.980 -6.884 -17.380 145 HZ PHE 19 HZ PHE 19 -5.033 -4.841 -16.029 146 H LYS 20 H LYS 20 -1.602 -11.550 -15.748 147 HA LYS 20 HA LYS 20 0.698 -12.988 -16.049 148 1HB LYS 20 1HB LYS 20 -0.656 -14.634 -17.179 149 2HB LYS 20 2HB LYS 20 -1.579 -13.921 -15.871 150 1HG LYS 20 1HG LYS 20 -3.137 -13.050 -17.295 151 2HG LYS 20 2HG LYS 20 -1.917 -12.419 -18.382 152 1HD LYS 20 1HD LYS 20 -2.633 -14.036 -19.826 153 2HD LYS 20 2HD LYS 20 -1.674 -15.131 -18.850 154 1HE LYS 20 1HE LYS 20 -3.535 -16.014 -17.745 155 2HE LYS 20 2HE LYS 20 -4.463 -14.535 -17.889 156 1HZ LYS 20 1HZ LYS 20 -5.401 -15.396 -19.665 157 2HZ LYS 20 2HZ LYS 20 -3.968 -15.456 -20.445 158 3HZ LYS 20 3HZ LYS 20 -4.479 -16.741 -19.577 159 H ASP 21 H ASP 21 1.459 -14.033 -18.222 160 HA ASP 21 HA ASP 21 1.950 -11.787 -19.995 161 1HB ASP 21 1HB ASP 21 3.751 -13.519 -20.874 162 2HB ASP 21 2HB ASP 21 4.047 -12.618 -19.401 163 H GLY 22 H GLY 22 0.841 -11.825 -21.957 164 1HA GLY 22 1HA GLY 22 0.678 -13.467 -23.931 165 2HA GLY 22 2HA GLY 22 -0.327 -14.383 -22.826 166 H VAL 23 H VAL 23 -1.036 -11.476 -21.658 167 HA VAL 23 HA VAL 23 -3.373 -11.223 -23.345 168 HB VAL 23 HB VAL 23 -2.494 -10.099 -20.695 169 1HG1 VAL 23 1HG1 VAL 23 -3.659 -8.233 -21.199 170 2HG1 VAL 23 2HG1 VAL 23 -4.485 -8.997 -22.578 171 3HG1 VAL 23 3HG1 VAL 23 -5.087 -9.260 -20.924 172 1HG2 VAL 23 1HG2 VAL 23 -3.365 -12.348 -20.609 173 2HG2 VAL 23 2HG2 VAL 23 -4.580 -11.241 -19.927 174 3HG2 VAL 23 3HG2 VAL 23 -4.787 -11.883 -21.574 175 H SER 24 H SER 24 -3.709 -9.638 -24.847 176 HA SER 24 HA SER 24 -1.601 -8.240 -25.848 177 1HB SER 24 1HB SER 24 -4.408 -7.138 -26.075 178 2HB SER 24 2HB SER 24 -3.158 -7.217 -27.301 179 HG SER 24 HG SER 24 -4.064 -9.038 -27.943 180 HA PRO 25 HA PRO 25 -1.245 -4.747 -23.277 181 1HB PRO 25 1HB PRO 25 -0.084 -2.931 -24.958 182 2HB PRO 25 2HB PRO 25 0.813 -4.205 -24.156 183 1HG PRO 25 1HG PRO 25 -0.022 -4.024 -26.986 184 2HG PRO 25 2HG PRO 25 1.209 -5.044 -26.268 185 1HD PRO 25 1HD PRO 25 -1.418 -5.847 -27.094 186 2HD PRO 25 2HD PRO 25 -0.229 -6.838 -26.271 187 H GLU 26 H GLU 26 -2.770 -4.192 -26.372 188 HA GLU 26 HA GLU 26 -3.843 -1.736 -25.754 189 1HB GLU 26 1HB GLU 26 -4.411 -3.917 -27.712 190 2HB GLU 26 2HB GLU 26 -5.730 -2.798 -27.431 191 1HG GLU 26 1HG GLU 26 -4.401 -0.896 -28.090 192 2HG GLU 26 2HG GLU 26 -2.908 -1.809 -28.002 193 H LYS 27 H LYS 27 -4.743 -5.001 -24.736 194 HA LYS 27 HA LYS 27 -7.377 -4.259 -23.902 195 1HB LYS 27 1HB LYS 27 -6.684 -6.553 -24.663 196 2HB LYS 27 2HB LYS 27 -5.761 -6.721 -23.184 197 1HG LYS 27 1HG LYS 27 -7.631 -7.056 -21.904 198 2HG LYS 27 2HG LYS 27 -8.530 -5.785 -22.709 199 1HD LYS 27 1HD LYS 27 -8.690 -7.428 -24.732 200 2HD LYS 27 2HD LYS 27 -8.158 -8.667 -23.613 201 1HE LYS 27 1HE LYS 27 -10.262 -7.153 -22.331 202 2HE LYS 27 2HE LYS 27 -10.809 -7.582 -23.939 203 1HZ LYS 27 1HZ LYS 27 -10.972 -9.687 -23.339 204 2HZ LYS 27 2HZ LYS 27 -9.486 -9.734 -22.664 205 3HZ LYS 27 3HZ LYS 27 -10.765 -9.216 -21.790 206 H ILE 28 H ILE 28 -4.103 -4.233 -22.560 207 HA ILE 28 HA ILE 28 -4.870 -4.135 -19.850 208 HB ILE 28 HB ILE 28 -2.376 -3.260 -21.306 209 1HG1 ILE 28 1HG1 ILE 28 -2.775 -5.696 -19.561 210 2HG1 ILE 28 2HG1 ILE 28 -3.101 -5.720 -21.283 211 1HG2 ILE 28 1HG2 ILE 28 -3.038 -3.273 -18.365 212 2HG2 ILE 28 2HG2 ILE 28 -1.367 -3.450 -18.951 213 3HG2 ILE 28 3HG2 ILE 28 -2.299 -1.987 -19.348 214 1HD1 ILE 28 1HD1 ILE 28 -0.625 -4.529 -21.273 215 2HD1 ILE 28 2HD1 ILE 28 -0.497 -5.589 -19.849 216 3HD1 ILE 28 3HD1 ILE 28 -0.886 -6.281 -21.442 217 H GLU 29 H GLU 29 -4.278 -1.642 -22.385 218 HA GLU 29 HA GLU 29 -4.626 0.488 -20.580 219 1HB GLU 29 1HB GLU 29 -4.761 1.870 -22.687 220 2HB GLU 29 2HB GLU 29 -3.341 0.846 -22.598 221 1HG GLU 29 1HG GLU 29 -4.319 -0.791 -24.110 222 2HG GLU 29 2HG GLU 29 -5.892 -0.025 -24.024 223 H GLU 30 H GLU 30 -6.757 -1.317 -22.846 224 HA GLU 30 HA GLU 30 -8.924 0.433 -22.554 225 1HB GLU 30 1HB GLU 30 -10.017 -0.995 -24.002 226 2HB GLU 30 2HB GLU 30 -8.369 -1.507 -24.312 227 1HG GLU 30 1HG GLU 30 -8.616 -3.352 -22.651 228 2HG GLU 30 2HG GLU 30 -10.252 -2.831 -22.302 229 H LEU 31 H LEU 31 -7.578 -2.141 -20.584 230 HA LEU 31 HA LEU 31 -9.924 -2.871 -19.219 231 1HB LEU 31 1HB LEU 31 -7.178 -3.556 -19.240 232 2HB LEU 31 2HB LEU 31 -7.577 -3.124 -17.589 233 HG LEU 31 HG LEU 31 -9.548 -4.906 -18.863 234 1HD1 LEU 31 1HD1 LEU 31 -7.763 -6.834 -18.255 235 2HD1 LEU 31 2HD1 LEU 31 -8.004 -6.187 -19.896 236 3HD1 LEU 31 3HD1 LEU 31 -6.664 -5.586 -18.890 237 1HD2 LEU 31 1HD2 LEU 31 -9.824 -4.522 -16.569 238 2HD2 LEU 31 2HD2 LEU 31 -9.106 -6.147 -16.667 239 3HD2 LEU 31 3HD2 LEU 31 -8.093 -4.752 -16.226 240 H ILE 32 H ILE 32 -7.320 -0.451 -18.533 241 HA ILE 32 HA ILE 32 -8.503 0.413 -16.123 242 HB ILE 32 HB ILE 32 -6.530 1.777 -17.959 243 1HG1 ILE 32 1HG1 ILE 32 -5.875 0.246 -15.444 244 2HG1 ILE 32 2HG1 ILE 32 -6.001 -0.567 -16.992 245 1HG2 ILE 32 1HG2 ILE 32 -7.924 2.939 -15.902 246 2HG2 ILE 32 2HG2 ILE 32 -6.444 2.379 -15.087 247 3HG2 ILE 32 3HG2 ILE 32 -6.329 3.458 -16.498 248 1HD1 ILE 32 1HD1 ILE 32 -3.732 0.731 -16.011 249 2HD1 ILE 32 2HD1 ILE 32 -4.003 0.255 -17.705 250 3HD1 ILE 32 3HD1 ILE 32 -4.404 1.904 -17.169 251 H LYS 33 H LYS 33 -8.855 1.314 -19.565 252 HA LYS 33 HA LYS 33 -10.206 3.717 -19.171 253 1HB LYS 33 1HB LYS 33 -9.768 1.796 -21.375 254 2HB LYS 33 2HB LYS 33 -11.226 2.757 -21.519 255 1HG LYS 33 1HG LYS 33 -9.036 4.456 -20.627 256 2HG LYS 33 2HG LYS 33 -8.540 3.573 -22.057 257 1HD LYS 33 1HD LYS 33 -10.743 4.298 -23.152 258 2HD LYS 33 2HD LYS 33 -11.012 5.339 -21.768 259 1HE LYS 33 1HE LYS 33 -8.899 6.554 -22.229 260 2HE LYS 33 2HE LYS 33 -8.537 5.470 -23.557 261 1HZ LYS 33 1HZ LYS 33 -11.074 6.893 -23.560 262 2HZ LYS 33 2HZ LYS 33 -9.718 7.693 -23.992 263 3HZ LYS 33 3HZ LYS 33 -10.185 6.368 -24.824 264 H GLY 34 H GLY 34 -11.319 0.300 -19.217 265 1HA GLY 34 1HA GLY 34 -14.083 0.849 -19.193 266 2HA GLY 34 2HA GLY 34 -13.295 -0.630 -18.681 267 H TYR 35 H TYR 35 -11.658 0.278 -16.554 268 HA TYR 35 HA TYR 35 -13.362 0.193 -14.417 269 1HB TYR 35 1HB TYR 35 -10.653 0.206 -14.919 270 2HB TYR 35 2HB TYR 35 -10.814 1.845 -14.322 271 HD1 TYR 35 HD1 TYR 35 -12.982 1.346 -12.242 272 HD2 TYR 35 HD2 TYR 35 -9.387 -0.777 -13.175 273 HE1 TYR 35 HE1 TYR 35 -12.864 0.483 -9.854 274 HE2 TYR 35 HE2 TYR 35 -9.281 -1.633 -10.783 275 HH TYR 35 HH TYR 35 -10.077 -0.976 -8.601 276 H ALA 36 H ALA 36 -12.055 3.079 -16.145 277 HA ALA 36 HA ALA 36 -12.970 4.984 -14.332 278 1HB ALA 36 1HB ALA 36 -12.661 5.226 -17.351 279 2HB ALA 36 2HB ALA 36 -12.609 6.549 -16.161 280 3HB ALA 36 3HB ALA 36 -11.318 5.323 -16.186 281 H ASN 37 H ASN 37 -14.614 3.034 -16.787 282 HA ASN 37 HA ASN 37 -16.867 4.725 -16.937 283 1HB ASN 37 1HB ASN 37 -15.929 2.677 -18.482 284 2HB ASN 37 2HB ASN 37 -17.104 1.781 -17.539 285 1HD2 ASN 37 1HD2 ASN 37 -19.290 2.779 -17.345 286 2HD2 ASN 37 2HD2 ASN 37 -19.980 3.527 -18.747 287 H LEU 38 H LEU 38 -15.858 1.786 -15.110 288 HA LEU 38 HA LEU 38 -18.398 1.302 -13.958 289 1HB LEU 38 1HB LEU 38 -15.695 0.204 -13.851 290 2HB LEU 38 2HB LEU 38 -16.500 0.166 -12.294 291 HG LEU 38 HG LEU 38 -18.412 -0.771 -14.140 292 1HD1 LEU 38 1HD1 LEU 38 -17.300 -2.618 -15.269 293 2HD1 LEU 38 2HD1 LEU 38 -16.605 -1.061 -15.780 294 3HD1 LEU 38 3HD1 LEU 38 -15.726 -2.091 -14.625 295 1HD2 LEU 38 1HD2 LEU 38 -16.656 -2.232 -12.150 296 2HD2 LEU 38 2HD2 LEU 38 -18.253 -1.506 -11.850 297 3HD2 LEU 38 3HD2 LEU 38 -18.103 -2.914 -12.929 298 H VAL 39 H VAL 39 -15.692 3.464 -13.261 299 HA VAL 39 HA VAL 39 -16.179 3.900 -10.556 300 HB VAL 39 HB VAL 39 -14.867 5.374 -12.796 301 1HG1 VAL 39 1HG1 VAL 39 -15.367 6.561 -10.045 302 2HG1 VAL 39 2HG1 VAL 39 -14.243 7.215 -11.260 303 3HG1 VAL 39 3HG1 VAL 39 -15.990 7.172 -11.597 304 1HG2 VAL 39 1HG2 VAL 39 -12.886 5.107 -11.412 305 2HG2 VAL 39 2HG2 VAL 39 -13.871 4.468 -10.074 306 3HG2 VAL 39 3HG2 VAL 39 -13.715 3.542 -11.586 307 H ASN 40 H ASN 40 -17.521 5.477 -13.522 308 HA ASN 40 HA ASN 40 -19.144 7.184 -11.931 309 1HB ASN 40 1HB ASN 40 -20.188 7.670 -14.280 310 2HB ASN 40 2HB ASN 40 -18.512 8.119 -14.035 311 1HD2 ASN 40 1HD2 ASN 40 -20.705 5.765 -15.418 312 2HD2 ASN 40 2HD2 ASN 40 -19.613 5.051 -16.557 313 H LEU 41 H LEU 41 -19.251 3.932 -13.130 314 HA LEU 41 HA LEU 41 -22.081 3.770 -13.491 315 1HB LEU 41 1HB LEU 41 -20.170 2.377 -14.551 316 2HB LEU 41 2HB LEU 41 -20.231 1.443 -13.069 317 HG LEU 41 HG LEU 41 -22.627 1.895 -14.866 318 1HD1 LEU 41 1HD1 LEU 41 -20.749 -0.483 -14.778 319 2HD1 LEU 41 2HD1 LEU 41 -22.264 -0.379 -15.705 320 3HD1 LEU 41 3HD1 LEU 41 -20.901 0.694 -16.104 321 1HD2 LEU 41 1HD2 LEU 41 -23.707 1.170 -13.047 322 2HD2 LEU 41 2HD2 LEU 41 -23.045 -0.428 -13.468 323 3HD2 LEU 41 3HD2 LEU 41 -22.215 0.591 -12.268 324 H ILE 42 H ILE 42 -19.760 2.452 -11.019 325 HA ILE 42 HA ILE 42 -21.614 1.418 -9.304 326 HB ILE 42 HB ILE 42 -18.962 2.740 -8.729 327 1HG1 ILE 42 1HG1 ILE 42 -19.627 -0.202 -8.999 328 2HG1 ILE 42 2HG1 ILE 42 -19.032 0.777 -10.325 329 1HG2 ILE 42 1HG2 ILE 42 -18.997 1.366 -6.639 330 2HG2 ILE 42 2HG2 ILE 42 -20.172 2.702 -6.666 331 3HG2 ILE 42 3HG2 ILE 42 -20.717 1.031 -6.950 332 1HD1 ILE 42 1HD1 ILE 42 -17.055 1.425 -8.821 333 2HD1 ILE 42 2HD1 ILE 42 -17.618 0.165 -7.697 334 3HD1 ILE 42 3HD1 ILE 42 -17.103 -0.276 -9.343 335 H GLU 43 H GLU 43 -23.463 2.388 -8.642 336 HA GLU 43 HA GLU 43 -24.125 4.924 -8.641 337 1HB GLU 43 1HB GLU 43 -24.994 2.569 -7.201 338 2HB GLU 43 2HB GLU 43 -25.134 3.956 -6.140 339 1HG GLU 43 1HG GLU 43 -26.211 5.111 -8.296 340 2HG GLU 43 2HG GLU 43 -26.494 3.454 -8.794 341 HA PRO 44 HA PRO 44 -22.121 5.810 -4.447 342 1HB PRO 44 1HB PRO 44 -20.698 3.879 -3.138 343 2HB PRO 44 2HB PRO 44 -22.387 4.210 -2.813 344 1HG PRO 44 1HG PRO 44 -21.194 1.951 -4.300 345 2HG PRO 44 2HG PRO 44 -22.798 2.083 -3.606 346 1HD PRO 44 1HD PRO 44 -22.101 2.333 -6.377 347 2HD PRO 44 2HD PRO 44 -23.684 2.580 -5.668 348 H MET 45 H MET 45 -19.582 3.458 -4.682 349 HA MET 45 HA MET 45 -17.465 3.701 -5.137 350 1HB MET 45 1HB MET 45 -18.945 4.316 -7.460 351 2HB MET 45 2HB MET 45 -17.779 5.622 -7.382 352 1HG MET 45 1HG MET 45 -16.973 2.689 -7.125 353 2HG MET 45 2HG MET 45 -17.033 3.519 -8.668 354 1HE MET 45 1HE MET 45 -14.886 2.046 -7.684 355 2HE MET 45 2HE MET 45 -13.411 3.018 -7.909 356 3HE MET 45 3HE MET 45 -13.986 2.639 -6.268 357 H LYS 46 H LYS 46 -16.313 4.807 -3.594 358 HA LYS 46 HA LYS 46 -16.739 7.598 -3.181 359 1HB LYS 46 1HB LYS 46 -15.245 5.394 -1.897 360 2HB LYS 46 2HB LYS 46 -14.491 6.969 -1.753 361 1HG LYS 46 1HG LYS 46 -17.428 6.447 -1.098 362 2HG LYS 46 2HG LYS 46 -16.150 6.395 0.099 363 1HD LYS 46 1HD LYS 46 -16.248 8.647 0.325 364 2HD LYS 46 2HD LYS 46 -15.822 8.847 -1.363 365 1HE LYS 46 1HE LYS 46 -18.611 8.022 -1.158 366 2HE LYS 46 2HE LYS 46 -18.335 9.409 -0.124 367 1HZ LYS 46 1HZ LYS 46 -18.506 9.347 -2.893 368 2HZ LYS 46 2HZ LYS 46 -18.315 10.647 -1.923 369 3HZ LYS 46 3HZ LYS 46 -17.006 9.863 -2.505 370 H ALA 47 H ALA 47 -13.722 5.742 -4.009 371 HA ALA 47 HA ALA 47 -13.164 7.384 -6.239 372 1HB ALA 47 1HB ALA 47 -11.024 8.348 -5.101 373 2HB ALA 47 2HB ALA 47 -12.585 9.150 -4.802 374 3HB ALA 47 3HB ALA 47 -11.897 8.057 -3.577 375 H PHE 48 H PHE 48 -11.310 6.593 -7.402 376 HA PHE 48 HA PHE 48 -9.838 4.425 -6.172 377 1HB PHE 48 1HB PHE 48 -11.582 3.095 -7.112 378 2HB PHE 48 2HB PHE 48 -11.914 4.260 -8.378 379 HD1 PHE 48 HD1 PHE 48 -9.520 1.645 -7.310 380 HD2 PHE 48 HD2 PHE 48 -10.936 4.039 -10.515 381 HE1 PHE 48 HE1 PHE 48 -8.190 0.264 -8.930 382 HE2 PHE 48 HE2 PHE 48 -9.606 2.658 -12.135 383 HZ PHE 48 HZ PHE 48 -8.248 0.787 -11.323 384 H HIS 49 H HIS 49 -7.749 4.960 -6.583 385 HA HIS 49 HA HIS 49 -7.207 6.174 -9.194 386 1HB HIS 49 1HB HIS 49 -5.120 7.046 -8.010 387 2HB HIS 49 2HB HIS 49 -6.654 7.793 -7.613 388 HD1 HIS 49 HD1 HIS 49 -7.464 7.649 -5.189 389 HD2 HIS 49 HD2 HIS 49 -4.059 5.317 -5.943 390 HE1 HIS 49 HE1 HIS 49 -6.616 6.864 -2.913 391 HE2 HIS 49 HE2 HIS 49 -4.556 5.391 -3.445 392 H TRP 50 H TRP 50 -5.091 5.583 -10.194 393 HA TRP 50 HA TRP 50 -4.383 2.824 -9.462 394 1HB TRP 50 1HB TRP 50 -4.061 2.305 -11.703 395 2HB TRP 50 2HB TRP 50 -5.560 3.213 -11.670 396 HD1 TRP 50 HD1 TRP 50 -5.494 5.710 -12.800 397 HE1 TRP 50 HE1 TRP 50 -3.916 6.893 -14.554 398 HE3 TRP 50 HE3 TRP 50 -1.666 2.390 -12.381 399 HZ2 TRP 50 HZ2 TRP 50 -1.302 6.319 -15.546 400 HZ3 TRP 50 HZ3 TRP 50 0.363 2.774 -13.778 401 HH2 TRP 50 HH2 TRP 50 0.581 4.658 -15.319 402 H GLY 51 H GLY 51 -2.033 2.289 -9.965 403 1HA GLY 51 1HA GLY 51 -0.225 4.556 -10.127 404 2HA GLY 51 2HA GLY 51 -0.236 3.712 -8.591 405 H LYS 52 H LYS 52 2.076 3.797 -10.231 406 HA LYS 52 HA LYS 52 2.213 0.987 -11.075 407 1HB LYS 52 1HB LYS 52 3.681 1.595 -12.879 408 2HB LYS 52 2HB LYS 52 2.203 2.524 -13.017 409 1HG LYS 52 1HG LYS 52 3.253 4.522 -12.156 410 2HG LYS 52 2HG LYS 52 4.652 3.633 -11.586 411 1HD LYS 52 1HD LYS 52 3.865 4.175 -14.482 412 2HD LYS 52 2HD LYS 52 5.283 4.769 -13.640 413 1HE LYS 52 1HE LYS 52 5.744 2.138 -13.288 414 2HE LYS 52 2HE LYS 52 4.727 2.002 -14.709 415 1HZ LYS 52 1HZ LYS 52 7.037 3.807 -14.585 416 2HZ LYS 52 2HZ LYS 52 7.134 2.275 -15.142 417 3HZ LYS 52 3HZ LYS 52 6.193 3.366 -15.911 418 H ASP 53 H ASP 53 4.316 -0.047 -10.738 419 HA ASP 53 HA ASP 53 5.398 0.790 -8.265 420 1HB ASP 53 1HB ASP 53 6.612 -1.257 -8.318 421 2HB ASP 53 2HB ASP 53 5.106 -1.619 -9.138 422 H VAL 54 H VAL 54 7.706 1.369 -7.912 423 HA VAL 54 HA VAL 54 8.910 2.545 -10.318 424 HB VAL 54 HB VAL 54 10.040 4.067 -8.747 425 1HG1 VAL 54 1HG1 VAL 54 8.300 5.544 -8.712 426 2HG1 VAL 54 2HG1 VAL 54 7.573 4.306 -9.764 427 3HG1 VAL 54 3HG1 VAL 54 7.157 4.360 -8.034 428 1HG2 VAL 54 1HG2 VAL 54 8.282 2.770 -6.636 429 2HG2 VAL 54 2HG2 VAL 54 10.051 2.620 -6.761 430 3HG2 VAL 54 3HG2 VAL 54 9.315 4.201 -6.405 431 H SER 55 H SER 55 10.736 1.608 -11.074 432 HA SER 55 HA SER 55 12.093 -0.187 -9.224 433 1HB SER 55 1HB SER 55 12.746 -1.516 -11.088 434 2HB SER 55 2HB SER 55 11.072 -1.100 -11.396 435 HG SER 55 HG SER 55 13.385 0.242 -12.516 436 H ILE 56 H ILE 56 14.279 0.146 -8.757 437 HA ILE 56 HA ILE 56 15.488 2.469 -10.084 438 HB ILE 56 HB ILE 56 14.988 2.670 -7.662 439 1HG1 ILE 56 1HG1 ILE 56 17.945 2.747 -7.750 440 2HG1 ILE 56 2HG1 ILE 56 17.144 3.560 -9.079 441 1HG2 ILE 56 1HG2 ILE 56 16.890 0.333 -7.491 442 2HG2 ILE 56 2HG2 ILE 56 16.628 1.448 -6.128 443 3HG2 ILE 56 3HG2 ILE 56 15.265 0.511 -6.786 444 1HD1 ILE 56 1HD1 ILE 56 16.070 4.048 -6.309 445 2HD1 ILE 56 2HD1 ILE 56 17.614 4.812 -6.757 446 3HD1 ILE 56 3HD1 ILE 56 16.146 5.150 -7.705 447 H GLU 57 H GLU 57 15.533 -0.955 -9.755 448 HA GLU 57 HA GLU 57 17.624 -1.207 -11.540 449 1HB GLU 57 1HB GLU 57 18.638 -0.681 -9.008 450 2HB GLU 57 2HB GLU 57 18.665 -2.432 -9.052 451 1HG GLU 57 1HG GLU 57 20.024 -2.458 -11.060 452 2HG GLU 57 2HG GLU 57 19.776 -0.745 -11.333 453 H ASN 58 H ASN 58 15.391 -2.318 -12.005 454 HA ASN 58 HA ASN 58 14.092 -4.081 -12.051 455 1HB ASN 58 1HB ASN 58 16.455 -4.721 -13.169 456 2HB ASN 58 2HB ASN 58 16.529 -5.872 -11.850 457 1HD2 ASN 58 1HD2 ASN 58 16.551 -7.211 -13.918 458 2HD2 ASN 58 2HD2 ASN 58 15.030 -7.833 -14.468 459 H LEU 59 H LEU 59 13.951 -3.295 -9.476 460 HA LEU 59 HA LEU 59 14.491 -5.707 -7.887 461 1HB LEU 59 1HB LEU 59 14.712 -2.795 -7.282 462 2HB LEU 59 2HB LEU 59 14.206 -3.871 -5.995 463 HG LEU 59 HG LEU 59 16.598 -4.774 -7.478 464 1HD1 LEU 59 1HD1 LEU 59 18.061 -3.161 -6.172 465 2HD1 LEU 59 2HD1 LEU 59 17.198 -2.494 -7.578 466 3HD1 LEU 59 3HD1 LEU 59 16.597 -2.178 -5.932 467 1HD2 LEU 59 1HD2 LEU 59 15.629 -5.845 -5.424 468 2HD2 LEU 59 2HD2 LEU 59 17.356 -5.430 -5.316 469 3HD2 LEU 59 3HD2 LEU 59 16.144 -4.407 -4.508 470 H HIS 60 H HIS 60 12.572 -6.823 -8.271 471 HA HIS 60 HA HIS 60 10.373 -6.004 -6.750 472 1HB HIS 60 1HB HIS 60 8.727 -5.537 -8.431 473 2HB HIS 60 2HB HIS 60 10.062 -4.416 -8.615 474 HD1 HIS 60 HD1 HIS 60 8.386 -7.342 -10.309 475 HD2 HIS 60 HD2 HIS 60 11.516 -4.642 -11.023 476 HE1 HIS 60 HE1 HIS 60 9.025 -7.622 -12.763 477 HE2 HIS 60 HE2 HIS 60 10.915 -5.899 -13.157 478 H GLN 61 H GLN 61 8.866 -7.732 -6.494 479 HA GLN 61 HA GLN 61 9.970 -10.228 -7.342 480 1HB GLN 61 1HB GLN 61 7.559 -9.541 -5.605 481 2HB GLN 61 2HB GLN 61 8.109 -11.178 -5.907 482 1HG GLN 61 1HG GLN 61 9.640 -8.952 -4.494 483 2HG GLN 61 2HG GLN 61 9.067 -10.453 -3.794 484 1HE2 GLN 61 1HE2 GLN 61 11.767 -9.151 -4.195 485 2HE2 GLN 61 2HE2 GLN 61 12.776 -10.378 -4.885 486 H GLY 62 H GLY 62 7.460 -8.000 -8.339 487 1HA GLY 62 1HA GLY 62 6.825 -8.573 -10.720 488 2HA GLY 62 2HA GLY 62 6.236 -10.079 -10.045 489 H TYR 63 H TYR 63 6.089 -6.719 -8.687 490 HA TYR 63 HA TYR 63 3.325 -7.093 -8.039 491 1HB TYR 63 1HB TYR 63 5.535 -5.004 -7.825 492 2HB TYR 63 2HB TYR 63 3.888 -4.461 -7.571 493 HD1 TYR 63 HD1 TYR 63 2.495 -5.675 -5.759 494 HD2 TYR 63 HD2 TYR 63 6.749 -6.002 -6.073 495 HE1 TYR 63 HE1 TYR 63 2.621 -6.448 -3.340 496 HE2 TYR 63 HE2 TYR 63 6.861 -6.774 -3.653 497 HH TYR 63 HH TYR 63 4.572 -6.298 -1.503 498 H THR 64 H THR 64 5.239 -5.182 -10.429 499 HA THR 64 HA THR 64 4.639 -4.172 -12.317 500 HB THR 64 HB THR 64 1.877 -5.386 -12.283 501 HG1 THR 64 HG1 THR 64 2.809 -7.349 -11.870 502 1HG2 THR 64 1HG2 THR 64 4.124 -4.887 -14.241 503 2HG2 THR 64 2HG2 THR 64 3.063 -6.286 -14.531 504 3HG2 THR 64 3HG2 THR 64 2.373 -4.647 -14.455 505 H HIS 65 H HIS 65 1.548 -4.309 -10.414 506 HA HIS 65 HA HIS 65 1.750 -1.529 -9.855 507 1HB HIS 65 1HB HIS 65 -0.560 -2.295 -11.638 508 2HB HIS 65 2HB HIS 65 -0.046 -0.694 -11.145 509 HD1 HIS 65 HD1 HIS 65 1.220 -3.600 -13.293 510 HD2 HIS 65 HD2 HIS 65 1.628 0.559 -12.926 511 HE1 HIS 65 HE1 HIS 65 2.621 -2.841 -15.286 512 HE2 HIS 65 HE2 HIS 65 2.791 -0.271 -15.036 513 H ILE 66 H ILE 66 -0.296 -0.788 -8.630 514 HA ILE 66 HA ILE 66 -1.675 -3.076 -7.444 515 HB ILE 66 HB ILE 66 -1.308 -2.242 -5.213 516 1HG1 ILE 66 1HG1 ILE 66 0.846 -0.373 -5.710 517 2HG1 ILE 66 2HG1 ILE 66 -0.621 0.174 -6.497 518 1HG2 ILE 66 1HG2 ILE 66 0.523 -3.488 -5.061 519 2HG2 ILE 66 2HG2 ILE 66 0.597 -3.489 -6.840 520 3HG2 ILE 66 3HG2 ILE 66 1.501 -2.268 -5.912 521 1HD1 ILE 66 1HD1 ILE 66 -1.659 0.626 -4.517 522 2HD1 ILE 66 2HD1 ILE 66 -1.098 -0.893 -3.777 523 3HD1 ILE 66 3HD1 ILE 66 -0.027 0.529 -3.812 524 H PHE 67 H PHE 67 -3.825 -2.678 -6.916 525 HA PHE 67 HA PHE 67 -4.773 -0.039 -7.763 526 1HB PHE 67 1HB PHE 67 -6.074 -2.813 -7.469 527 2HB PHE 67 2HB PHE 67 -6.966 -1.386 -7.959 528 HD1 PHE 67 HD1 PHE 67 -5.031 -0.120 -9.818 529 HD2 PHE 67 HD2 PHE 67 -6.135 -4.190 -9.345 530 HE1 PHE 67 HE1 PHE 67 -4.424 -0.564 -12.213 531 HE2 PHE 67 HE2 PHE 67 -5.528 -4.634 -11.739 532 HZ PHE 67 HZ PHE 67 -4.680 -2.815 -13.145 533 H GLU 68 H GLU 68 -5.540 1.341 -6.236 534 HA GLU 68 HA GLU 68 -6.396 0.114 -3.730 535 1HB GLU 68 1HB GLU 68 -4.625 2.472 -4.279 536 2HB GLU 68 2HB GLU 68 -5.715 2.607 -2.914 537 1HG GLU 68 1HG GLU 68 -4.799 0.616 -1.867 538 2HG GLU 68 2HG GLU 68 -3.911 0.182 -3.315 539 H SER 69 H SER 69 -8.544 0.392 -3.319 540 HA SER 69 HA SER 69 -9.846 2.566 -4.745 541 1HB SER 69 1HB SER 69 -10.517 -0.025 -4.832 542 2HB SER 69 2HB SER 69 -11.375 0.369 -3.355 543 HG SER 69 HG SER 69 -11.931 2.339 -5.116 544 H THR 70 H THR 70 -10.463 4.342 -3.568 545 HA THR 70 HA THR 70 -10.277 4.211 -0.684 546 HB THR 70 HB THR 70 -10.821 6.442 -2.710 547 HG1 THR 70 HG1 THR 70 -8.623 5.630 -0.939 548 1HG2 THR 70 1HG2 THR 70 -10.373 6.507 0.318 549 2HG2 THR 70 2HG2 THR 70 -10.160 7.924 -0.737 550 3HG2 THR 70 3HG2 THR 70 -11.765 7.173 -0.570 551 H PHE 71 H PHE 71 -11.892 3.927 0.724 552 HA PHE 71 HA PHE 71 -14.608 4.239 -0.349 553 1HB PHE 71 1HB PHE 71 -13.325 2.218 1.578 554 2HB PHE 71 2HB PHE 71 -15.065 2.372 1.429 555 HD1 PHE 71 HD1 PHE 71 -12.458 0.405 0.472 556 HD2 PHE 71 HD2 PHE 71 -15.762 2.431 -1.256 557 HE1 PHE 71 HE1 PHE 71 -12.435 -1.202 -1.456 558 HE2 PHE 71 HE2 PHE 71 -15.739 0.825 -3.184 559 HZ PHE 71 HZ PHE 71 -14.076 -0.973 -3.261 560 H GLU 72 H GLU 72 -16.273 4.474 1.524 561 HA GLU 72 HA GLU 72 -15.328 6.637 3.113 562 1HB GLU 72 1HB GLU 72 -17.722 6.096 1.948 563 2HB GLU 72 2HB GLU 72 -18.060 5.486 3.556 564 1HG GLU 72 1HG GLU 72 -17.827 7.591 4.564 565 2HG GLU 72 2HG GLU 72 -16.727 8.183 3.334 566 H SER 73 H SER 73 -16.597 3.295 3.676 567 HA SER 73 HA SER 73 -15.005 3.098 6.004 568 1HB SER 73 1HB SER 73 -17.896 3.752 6.245 569 2HB SER 73 2HB SER 73 -17.384 2.384 7.214 570 HG SER 73 HG SER 73 -15.661 3.770 8.091 571 H LYS 74 H LYS 74 -15.669 0.837 7.162 572 HA LYS 74 HA LYS 74 -15.407 -1.115 5.171 573 1HB LYS 74 1HB LYS 74 -15.418 -2.688 6.980 574 2HB LYS 74 2HB LYS 74 -14.520 -1.272 7.486 575 1HG LYS 74 1HG LYS 74 -16.175 -0.575 8.991 576 2HG LYS 74 2HG LYS 74 -17.472 -1.329 8.086 577 1HD LYS 74 1HD LYS 74 -17.068 -2.566 10.183 578 2HD LYS 74 2HD LYS 74 -16.696 -3.580 8.803 579 1HE LYS 74 1HE LYS 74 -14.246 -2.870 9.057 580 2HE LYS 74 2HE LYS 74 -14.695 -2.080 10.555 581 1HZ LYS 74 1HZ LYS 74 -15.581 -4.254 11.277 582 2HZ LYS 74 2HZ LYS 74 -14.942 -4.939 9.940 583 3HZ LYS 74 3HZ LYS 74 -13.964 -4.248 11.049 584 H GLU 75 H GLU 75 -18.195 0.383 6.756 585 HA GLU 75 HA GLU 75 -20.009 -1.652 6.151 586 1HB GLU 75 1HB GLU 75 -20.618 1.315 6.478 587 2HB GLU 75 2HB GLU 75 -21.726 -0.018 6.732 588 1HG GLU 75 1HG GLU 75 -20.070 -0.865 8.536 589 2HG GLU 75 2HG GLU 75 -19.270 0.688 8.393 590 H ALA 76 H ALA 76 -18.752 1.177 4.362 591 HA ALA 76 HA ALA 76 -20.697 0.998 2.285 592 1HB ALA 76 1HB ALA 76 -18.103 2.487 2.737 593 2HB ALA 76 2HB ALA 76 -18.918 2.529 1.156 594 3HB ALA 76 3HB ALA 76 -19.757 3.131 2.606 595 H VAL 77 H VAL 77 -17.502 -0.409 3.000 596 HA VAL 77 HA VAL 77 -16.992 -1.295 0.365 597 HB VAL 77 HB VAL 77 -15.679 -1.186 2.836 598 1HG1 VAL 77 1HG1 VAL 77 -15.921 -4.049 1.854 599 2HG1 VAL 77 2HG1 VAL 77 -14.712 -3.475 3.027 600 3HG1 VAL 77 3HG1 VAL 77 -16.445 -3.405 3.429 601 1HG2 VAL 77 1HG2 VAL 77 -13.821 -1.199 1.530 602 2HG2 VAL 77 2HG2 VAL 77 -14.345 -2.626 0.604 603 3HG2 VAL 77 3HG2 VAL 77 -15.015 -1.021 0.222 604 H ALA 78 H ALA 78 -18.886 -2.510 3.115 605 HA ALA 78 HA ALA 78 -19.065 -5.179 2.306 606 1HB ALA 78 1HB ALA 78 -21.296 -4.947 3.671 607 2HB ALA 78 2HB ALA 78 -19.736 -4.733 4.501 608 3HB ALA 78 3HB ALA 78 -20.695 -3.310 4.027 609 H GLU 79 H GLU 79 -21.024 -2.247 1.518 610 HA GLU 79 HA GLU 79 -22.878 -3.705 -0.007 611 1HB GLU 79 1HB GLU 79 -22.301 -0.854 0.608 612 2HB GLU 79 2HB GLU 79 -23.061 -1.115 -0.949 613 1HG GLU 79 1HG GLU 79 -25.010 -1.124 0.250 614 2HG GLU 79 2HG GLU 79 -24.585 -2.785 0.610 615 H TYR 80 H TYR 80 -19.762 -2.099 -0.668 616 HA TYR 80 HA TYR 80 -20.040 -2.153 -3.498 617 1HB TYR 80 1HB TYR 80 -18.525 -0.603 -2.283 618 2HB TYR 80 2HB TYR 80 -17.758 -1.937 -1.445 619 HD1 TYR 80 HD1 TYR 80 -17.745 0.131 -4.410 620 HD2 TYR 80 HD2 TYR 80 -16.292 -3.539 -2.758 621 HE1 TYR 80 HE1 TYR 80 -15.952 0.021 -6.210 622 HE2 TYR 80 HE2 TYR 80 -14.505 -3.636 -4.564 623 HH TYR 80 HH TYR 80 -14.090 -0.965 -6.834 624 H ILE 81 H ILE 81 -18.565 -4.308 -1.013 625 HA ILE 81 HA ILE 81 -17.395 -6.024 -2.954 626 HB ILE 81 HB ILE 81 -16.966 -5.557 -0.345 627 1HG1 ILE 81 1HG1 ILE 81 -16.240 -8.299 -1.223 628 2HG1 ILE 81 2HG1 ILE 81 -15.781 -7.001 -2.308 629 1HG2 ILE 81 1HG2 ILE 81 -19.050 -6.647 0.361 630 2HG2 ILE 81 2HG2 ILE 81 -18.512 -8.164 -0.398 631 3HG2 ILE 81 3HG2 ILE 81 -17.613 -7.493 0.983 632 1HD1 ILE 81 1HD1 ILE 81 -14.810 -7.603 0.454 633 2HD1 ILE 81 2HD1 ILE 81 -13.938 -6.905 -0.932 634 3HD1 ILE 81 3HD1 ILE 81 -15.009 -5.880 0.053 635 H ALA 82 H ALA 82 -20.594 -5.564 -1.645 636 HA ALA 82 HA ALA 82 -21.395 -8.259 -2.406 637 1HB ALA 82 1HB ALA 82 -23.644 -7.302 -1.488 638 2HB ALA 82 2HB ALA 82 -22.329 -7.650 -0.340 639 3HB ALA 82 3HB ALA 82 -22.635 -5.976 -0.861 640 H HIS 83 H HIS 83 -20.499 -5.886 -4.241 641 HA HIS 83 HA HIS 83 -22.973 -5.545 -5.727 642 1HB HIS 83 1HB HIS 83 -20.988 -3.785 -5.111 643 2HB HIS 83 2HB HIS 83 -20.465 -4.305 -6.700 644 HD1 HIS 83 HD1 HIS 83 -21.946 -3.649 -8.746 645 HD2 HIS 83 HD2 HIS 83 -23.393 -2.278 -5.055 646 HE1 HIS 83 HE1 HIS 83 -23.762 -1.938 -9.281 647 HE2 HIS 83 HE2 HIS 83 -24.651 -1.171 -6.975 648 HA PRO 84 HA PRO 84 -21.742 -8.672 -8.478 649 1HB PRO 84 1HB PRO 84 -23.694 -8.358 -10.365 650 2HB PRO 84 2HB PRO 84 -23.929 -9.266 -8.885 651 1HG PRO 84 1HG PRO 84 -24.927 -6.573 -9.586 652 2HG PRO 84 2HG PRO 84 -25.484 -7.657 -8.326 653 1HD PRO 84 1HD PRO 84 -23.841 -5.331 -7.986 654 2HD PRO 84 2HD PRO 84 -24.302 -6.479 -6.745 655 H ALA 85 H ALA 85 -22.251 -5.412 -9.582 656 HA ALA 85 HA ALA 85 -21.047 -5.740 -12.085 657 1HB ALA 85 1HB ALA 85 -20.794 -3.158 -10.587 658 2HB ALA 85 2HB ALA 85 -21.338 -3.462 -12.254 659 3HB ALA 85 3HB ALA 85 -22.435 -3.780 -10.889 660 H HIS 86 H HIS 86 -19.738 -4.837 -8.837 661 HA HIS 86 HA HIS 86 -17.107 -4.513 -9.843 662 1HB HIS 86 1HB HIS 86 -17.354 -3.275 -7.956 663 2HB HIS 86 2HB HIS 86 -18.480 -4.398 -7.219 664 HD1 HIS 86 HD1 HIS 86 -17.554 -5.519 -5.200 665 HD2 HIS 86 HD2 HIS 86 -14.557 -4.583 -7.982 666 HE1 HIS 86 HE1 HIS 86 -15.349 -6.264 -4.153 667 HE2 HIS 86 HE2 HIS 86 -13.551 -5.713 -5.932 668 H VAL 87 H VAL 87 -19.035 -7.180 -8.462 669 HA VAL 87 HA VAL 87 -16.846 -8.894 -7.983 670 HB VAL 87 HB VAL 87 -19.814 -9.100 -8.143 671 1HG1 VAL 87 1HG1 VAL 87 -19.729 -11.547 -7.823 672 2HG1 VAL 87 2HG1 VAL 87 -19.109 -11.060 -9.419 673 3HG1 VAL 87 3HG1 VAL 87 -17.975 -11.518 -8.126 674 1HG2 VAL 87 1HG2 VAL 87 -18.128 -10.342 -6.008 675 2HG2 VAL 87 2HG2 VAL 87 -18.192 -8.566 -6.099 676 3HG2 VAL 87 3HG2 VAL 87 -19.692 -9.501 -5.890 677 H GLU 88 H GLU 88 -19.149 -8.472 -10.743 678 HA GLU 88 HA GLU 88 -18.176 -10.566 -12.242 679 1HB GLU 88 1HB GLU 88 -20.241 -8.874 -12.523 680 2HB GLU 88 2HB GLU 88 -19.134 -8.060 -13.611 681 1HG GLU 88 1HG GLU 88 -18.957 -9.956 -15.053 682 2HG GLU 88 2HG GLU 88 -19.572 -11.057 -13.836 683 H PHE 89 H PHE 89 -17.107 -7.144 -11.960 684 HA PHE 89 HA PHE 89 -15.228 -7.347 -14.077 685 1HB PHE 89 1HB PHE 89 -16.462 -5.353 -12.618 686 2HB PHE 89 2HB PHE 89 -14.932 -5.417 -11.765 687 HD1 PHE 89 HD1 PHE 89 -13.109 -4.226 -12.579 688 HD2 PHE 89 HD2 PHE 89 -16.332 -5.090 -15.201 689 HE1 PHE 89 HE1 PHE 89 -12.067 -2.771 -14.339 690 HE2 PHE 89 HE2 PHE 89 -15.290 -3.635 -16.961 691 HZ PHE 89 HZ PHE 89 -13.170 -2.493 -16.509 692 H ALA 90 H ALA 90 -14.996 -7.375 -10.454 693 HA ALA 90 HA ALA 90 -12.241 -7.601 -10.308 694 1HB ALA 90 1HB ALA 90 -12.725 -8.541 -8.036 695 2HB ALA 90 2HB ALA 90 -13.642 -7.058 -8.393 696 3HB ALA 90 3HB ALA 90 -14.445 -8.644 -8.484 697 H THR 91 H THR 91 -14.780 -9.995 -11.029 698 HA THR 91 HA THR 91 -13.070 -12.255 -10.672 699 HB THR 91 HB THR 91 -15.781 -11.802 -12.021 700 HG1 THR 91 HG1 THR 91 -15.519 -11.530 -9.649 701 1HG2 THR 91 1HG2 THR 91 -14.383 -13.945 -12.712 702 2HG2 THR 91 2HG2 THR 91 -14.700 -14.468 -11.040 703 3HG2 THR 91 3HG2 THR 91 -16.058 -14.159 -12.149 704 H ILE 92 H ILE 92 -14.061 -10.200 -13.448 705 HA ILE 92 HA ILE 92 -12.738 -11.859 -15.337 706 HB ILE 92 HB ILE 92 -13.936 -9.103 -15.394 707 1HG1 ILE 92 1HG1 ILE 92 -14.732 -11.551 -16.973 708 2HG1 ILE 92 2HG1 ILE 92 -15.313 -11.278 -15.342 709 1HG2 ILE 92 1HG2 ILE 92 -11.941 -9.143 -16.873 710 2HG2 ILE 92 2HG2 ILE 92 -12.659 -10.517 -17.749 711 3HG2 ILE 92 3HG2 ILE 92 -13.476 -8.935 -17.751 712 1HD1 ILE 92 1HD1 ILE 92 -15.665 -8.793 -16.659 713 2HD1 ILE 92 2HD1 ILE 92 -16.180 -10.030 -17.830 714 3HD1 ILE 92 3HD1 ILE 92 -16.934 -9.962 -16.219 715 H PHE 93 H PHE 93 -11.824 -9.191 -13.189 716 HA PHE 93 HA PHE 93 -9.429 -8.567 -14.579 717 1HB PHE 93 1HB PHE 93 -11.024 -7.452 -12.606 718 2HB PHE 93 2HB PHE 93 -9.763 -8.144 -11.605 719 HD1 PHE 93 HD1 PHE 93 -7.513 -7.715 -13.691 720 HD2 PHE 93 HD2 PHE 93 -10.521 -5.171 -12.114 721 HE1 PHE 93 HE1 PHE 93 -6.060 -5.718 -14.141 722 HE2 PHE 93 HE2 PHE 93 -9.068 -3.174 -12.563 723 HZ PHE 93 HZ PHE 93 -6.855 -3.471 -13.571 724 H LEU 94 H LEU 94 -10.268 -10.564 -11.678 725 HA LEU 94 HA LEU 94 -7.636 -11.214 -11.016 726 1HB LEU 94 1HB LEU 94 -8.584 -12.316 -9.341 727 2HB LEU 94 2HB LEU 94 -10.066 -11.560 -9.892 728 HG LEU 94 HG LEU 94 -10.324 -13.696 -11.374 729 1HD1 LEU 94 1HD1 LEU 94 -8.666 -15.169 -11.227 730 2HD1 LEU 94 2HD1 LEU 94 -7.947 -14.334 -9.830 731 3HD1 LEU 94 3HD1 LEU 94 -9.240 -15.532 -9.582 732 1HD2 LEU 94 1HD2 LEU 94 -11.125 -13.011 -8.697 733 2HD2 LEU 94 2HD2 LEU 94 -12.015 -13.902 -9.954 734 3HD2 LEU 94 3HD2 LEU 94 -10.934 -14.775 -8.841 735 H GLY 95 H GLY 95 -9.930 -12.521 -13.413 736 1HA GLY 95 1HA GLY 95 -8.351 -14.860 -13.970 737 2HA GLY 95 2HA GLY 95 -9.750 -14.273 -14.847 738 H SER 96 H SER 96 -7.827 -11.571 -14.540 739 HA SER 96 HA SER 96 -6.653 -12.100 -17.146 740 1HB SER 96 1HB SER 96 -7.066 -9.912 -17.702 741 2HB SER 96 2HB SER 96 -8.287 -10.063 -16.454 742 HG SER 96 HG SER 96 -7.202 -8.257 -15.820 743 H LEU 97 H LEU 97 -6.009 -11.108 -13.780 744 HA LEU 97 HA LEU 97 -3.200 -10.669 -14.413 745 1HB LEU 97 1HB LEU 97 -4.520 -10.375 -11.726 746 2HB LEU 97 2HB LEU 97 -3.014 -9.676 -12.285 747 HG LEU 97 HG LEU 97 -5.400 -8.876 -13.838 748 1HD1 LEU 97 1HD1 LEU 97 -5.717 -7.099 -11.841 749 2HD1 LEU 97 2HD1 LEU 97 -6.679 -8.589 -11.998 750 3HD1 LEU 97 3HD1 LEU 97 -5.284 -8.543 -10.894 751 1HD2 LEU 97 1HD2 LEU 97 -3.513 -6.957 -12.552 752 2HD2 LEU 97 2HD2 LEU 97 -2.881 -8.032 -13.822 753 3HD2 LEU 97 3HD2 LEU 97 -4.244 -6.942 -14.175 754 H ASP 98 H ASP 98 -1.603 -12.122 -13.953 755 HA ASP 98 HA ASP 98 -2.183 -14.732 -13.602 756 1HB ASP 98 1HB ASP 98 0.204 -13.005 -13.371 757 2HB ASP 98 2HB ASP 98 0.320 -14.431 -12.360 758 H LYS 99 H LYS 99 -0.481 -12.742 -11.064 759 HA LYS 99 HA LYS 99 -1.845 -14.353 -9.035 760 1HB LYS 99 1HB LYS 99 0.624 -14.424 -9.060 761 2HB LYS 99 2HB LYS 99 0.682 -12.686 -8.839 762 1HG LYS 99 1HG LYS 99 -1.036 -14.115 -6.868 763 2HG LYS 99 2HG LYS 99 0.663 -14.536 -6.781 764 1HD LYS 99 1HD LYS 99 -0.324 -11.649 -6.820 765 2HD LYS 99 2HD LYS 99 -0.071 -12.545 -5.336 766 1HE LYS 99 1HE LYS 99 2.191 -12.537 -7.320 767 2HE LYS 99 2HE LYS 99 1.873 -11.036 -6.474 768 1HZ LYS 99 1HZ LYS 99 2.748 -13.578 -5.403 769 2HZ LYS 99 2HZ LYS 99 3.220 -12.065 -5.007 770 3HZ LYS 99 3HZ LYS 99 1.802 -12.651 -4.448 771 H VAL 100 H VAL 100 -2.766 -13.293 -7.155 772 HA VAL 100 HA VAL 100 -3.060 -10.427 -7.282 773 HB VAL 100 HB VAL 100 -4.826 -10.798 -8.708 774 1HG1 VAL 100 1HG1 VAL 100 -6.538 -12.718 -8.130 775 2HG1 VAL 100 2HG1 VAL 100 -5.032 -13.077 -9.007 776 3HG1 VAL 100 3HG1 VAL 100 -5.147 -13.409 -7.262 777 1HG2 VAL 100 1HG2 VAL 100 -6.939 -10.642 -7.341 778 2HG2 VAL 100 2HG2 VAL 100 -5.948 -10.948 -5.894 779 3HG2 VAL 100 3HG2 VAL 100 -5.660 -9.494 -6.880 780 H LEU 101 H LEU 101 -3.169 -9.602 -5.231 781 HA LEU 101 HA LEU 101 -3.950 -11.466 -3.111 782 1HB LEU 101 1HB LEU 101 -1.343 -10.858 -3.616 783 2HB LEU 101 2HB LEU 101 -1.761 -9.602 -2.468 784 HG LEU 101 HG LEU 101 -0.754 -11.621 -1.436 785 1HD1 LEU 101 1HD1 LEU 101 -3.461 -11.656 -0.266 786 2HD1 LEU 101 2HD1 LEU 101 -1.887 -11.272 0.471 787 3HD1 LEU 101 3HD1 LEU 101 -2.750 -10.039 -0.480 788 1HD2 LEU 101 1HD2 LEU 101 -1.484 -13.708 -1.753 789 2HD2 LEU 101 2HD2 LEU 101 -3.192 -13.241 -1.567 790 3HD2 LEU 101 3HD2 LEU 101 -2.382 -13.044 -3.140 791 H VAL 102 H VAL 102 -5.432 -10.620 -1.727 792 HA VAL 102 HA VAL 102 -6.033 -7.782 -2.085 793 HB VAL 102 HB VAL 102 -7.899 -9.142 -2.505 794 1HG1 VAL 102 1HG1 VAL 102 -8.705 -10.790 -0.680 795 2HG1 VAL 102 2HG1 VAL 102 -7.343 -11.276 -1.718 796 3HG1 VAL 102 3HG1 VAL 102 -7.038 -10.693 -0.064 797 1HG2 VAL 102 1HG2 VAL 102 -8.133 -8.180 0.367 798 2HG2 VAL 102 2HG2 VAL 102 -8.389 -7.195 -1.093 799 3HG2 VAL 102 3HG2 VAL 102 -9.488 -8.546 -0.727 800 H ILE 103 H ILE 103 -5.403 -6.333 -0.574 801 HA ILE 103 HA ILE 103 -5.028 -7.335 2.153 802 HB ILE 103 HB ILE 103 -3.087 -5.718 0.510 803 1HG1 ILE 103 1HG1 ILE 103 -3.038 -8.229 0.374 804 2HG1 ILE 103 2HG1 ILE 103 -1.548 -7.475 0.905 805 1HG2 ILE 103 1HG2 ILE 103 -3.211 -6.080 3.511 806 2HG2 ILE 103 2HG2 ILE 103 -1.748 -5.574 2.634 807 3HG2 ILE 103 3HG2 ILE 103 -3.210 -4.560 2.585 808 1HD1 ILE 103 1HD1 ILE 103 -3.654 -8.727 2.728 809 2HD1 ILE 103 2HD1 ILE 103 -2.069 -9.427 2.320 810 3HD1 ILE 103 3HD1 ILE 103 -2.161 -7.934 3.285 811 H ASP 104 H ASP 104 -5.334 -5.709 3.816 812 HA ASP 104 HA ASP 104 -6.938 -3.507 2.785 813 1HB ASP 104 1HB ASP 104 -7.277 -5.417 4.982 814 2HB ASP 104 2HB ASP 104 -7.351 -3.773 5.584 815 H TYR 105 H TYR 105 -6.423 -1.369 3.529 816 HA TYR 105 HA TYR 105 -4.095 -1.198 5.323 817 1HB TYR 105 1HB TYR 105 -3.631 -0.684 2.884 818 2HB TYR 105 2HB TYR 105 -4.971 0.446 2.866 819 HD1 TYR 105 HD1 TYR 105 -1.465 0.061 3.394 820 HD2 TYR 105 HD2 TYR 105 -4.820 2.482 4.485 821 HE1 TYR 105 HE1 TYR 105 0.104 1.943 4.074 822 HE2 TYR 105 HE2 TYR 105 -3.240 4.355 5.161 823 HH TYR 105 HH TYR 105 -1.059 5.105 4.745 824 H LYS 106 H LYS 106 -4.704 -0.321 7.236 825 HA LYS 106 HA LYS 106 -6.674 1.853 7.106 826 1HB LYS 106 1HB LYS 106 -6.823 -0.674 8.517 827 2HB LYS 106 2HB LYS 106 -6.854 0.660 9.652 828 1HG LYS 106 1HG LYS 106 -8.618 1.744 8.070 829 2HG LYS 106 2HG LYS 106 -8.727 0.172 7.302 830 1HD LYS 106 1HD LYS 106 -8.962 -0.599 9.911 831 2HD LYS 106 2HD LYS 106 -9.621 1.020 10.037 832 1HE LYS 106 1HE LYS 106 -11.537 0.447 8.934 833 2HE LYS 106 2HE LYS 106 -10.662 -0.396 7.671 834 1HZ LYS 106 1HZ LYS 106 -12.075 -1.814 9.085 835 2HZ LYS 106 2HZ LYS 106 -10.516 -2.300 9.031 836 3HZ LYS 106 3HZ LYS 106 -11.083 -1.522 10.349 837 HA PRO 107 HA PRO 107 -3.613 4.099 9.167 838 1HB PRO 107 1HB PRO 107 -5.091 6.196 10.110 839 2HB PRO 107 2HB PRO 107 -4.512 6.097 8.459 840 1HG PRO 107 1HG PRO 107 -7.248 5.667 9.493 841 2HG PRO 107 2HG PRO 107 -6.734 5.992 7.849 842 1HD PRO 107 1HD PRO 107 -7.530 3.457 8.929 843 2HD PRO 107 2HD PRO 107 -6.906 3.761 7.320 844 H THR 108 H THR 108 -2.897 2.619 10.707 845 HA THR 108 HA THR 108 -4.151 3.133 13.325 846 HB THR 108 HB THR 108 -3.270 0.569 11.946 847 HG1 THR 108 HG1 THR 108 -5.451 1.344 13.746 848 1HG2 THR 108 1HG2 THR 108 -4.096 0.036 14.635 849 2HG2 THR 108 2HG2 THR 108 -2.506 -0.307 13.913 850 3HG2 THR 108 3HG2 THR 108 -2.791 1.242 14.742 851 H SER 109 H SER 109 -2.526 4.972 13.226 852 HA SER 109 HA SER 109 0.183 4.081 13.550 853 1HB SER 109 1HB SER 109 -1.194 6.770 13.384 854 2HB SER 109 2HB SER 109 0.441 6.679 14.007 855 HG SER 109 HG SER 109 0.819 5.333 11.919 856 H VAL 110 H VAL 110 1.479 4.833 15.502 857 HA VAL 110 HA VAL 110 -0.191 4.553 17.889 858 HB VAL 110 HB VAL 110 2.715 4.011 17.288 859 1HG1 VAL 110 1HG1 VAL 110 1.368 4.489 19.902 860 2HG1 VAL 110 2HG1 VAL 110 2.483 3.105 19.809 861 3HG1 VAL 110 3HG1 VAL 110 3.062 4.742 19.417 862 1HG2 VAL 110 1HG2 VAL 110 0.982 2.317 16.637 863 2HG2 VAL 110 2HG2 VAL 110 2.181 1.725 17.813 864 3HG2 VAL 110 3HG2 VAL 110 0.547 2.176 18.357 865 H SER 111 H SER 111 -0.055 6.042 19.613 866 HA SER 111 HA SER 111 0.548 8.657 18.786 867 1HB SER 111 1HB SER 111 0.291 8.634 21.611 868 2HB SER 111 2HB SER 111 -0.942 9.044 20.435 869 HG SER 111 HG SER 111 -1.691 6.902 20.427 870 H LEU 112 H LEU 112 2.467 9.776 18.943 871 HA LEU 112 HA LEU 112 4.522 8.590 20.677 872 1HB LEU 112 1HB LEU 112 6.172 9.448 19.106 873 2HB LEU 112 2HB LEU 112 5.090 8.284 18.370 874 HG LEU 112 HG LEU 112 3.935 10.815 17.878 875 1HD1 LEU 112 1HD1 LEU 112 5.760 12.154 18.204 876 2HD1 LEU 112 2HD1 LEU 112 6.922 10.872 17.786 877 3HD1 LEU 112 3HD1 LEU 112 6.010 11.700 16.501 878 1HD2 LEU 112 1HD2 LEU 112 3.953 8.702 16.486 879 2HD2 LEU 112 2HD2 LEU 112 4.172 10.228 15.597 880 3HD2 LEU 112 3HD2 LEU 112 5.574 9.184 15.931 881 1H GLY 1 1H GLY 1 18.458 31.480 -1.918 882 1HA GLY 1 1HA GLY 1 16.262 30.758 -1.775 883 2HA GLY 1 2HA GLY 1 15.814 32.220 -0.919 884 H SER 2 H SER 2 17.271 31.321 -4.135 885 HA SER 2 HA SER 2 15.934 33.562 -5.311 886 1HB SER 2 1HB SER 2 17.574 31.382 -6.671 887 2HB SER 2 2HB SER 2 17.145 32.940 -7.350 888 HG SER 2 HG SER 2 18.333 33.783 -5.291 889 H HIS 3 H HIS 3 15.823 29.953 -5.391 890 HA HIS 3 HA HIS 3 13.098 30.158 -6.355 891 1HB HIS 3 1HB HIS 3 15.291 28.646 -7.788 892 2HB HIS 3 2HB HIS 3 13.590 28.292 -8.014 893 HD1 HIS 3 HD1 HIS 3 15.822 29.630 -10.066 894 HD2 HIS 3 HD2 HIS 3 12.525 31.460 -8.227 895 HE1 HIS 3 HE1 HIS 3 15.231 31.653 -11.506 896 H MET 4 H MET 4 12.281 27.630 -6.498 897 HA MET 4 HA MET 4 13.498 25.888 -4.689 898 1HB MET 4 1HB MET 4 11.818 26.025 -2.844 899 2HB MET 4 2HB MET 4 12.651 27.556 -3.023 900 1HG MET 4 1HG MET 4 10.617 28.094 -4.692 901 2HG MET 4 2HG MET 4 9.809 26.844 -3.766 902 1HE MET 4 1HE MET 4 11.855 30.004 -3.726 903 2HE MET 4 2HE MET 4 11.490 30.805 -2.179 904 3HE MET 4 3HE MET 4 12.594 29.410 -2.220 905 H GLU 5 H GLU 5 12.910 23.908 -5.460 906 HA GLU 5 HA GLU 5 10.412 23.787 -6.925 907 1HB GLU 5 1HB GLU 5 13.043 22.629 -7.264 908 2HB GLU 5 2HB GLU 5 11.873 21.330 -7.130 909 1HG GLU 5 1HG GLU 5 11.949 21.883 -9.462 910 2HG GLU 5 2HG GLU 5 10.448 22.567 -8.869 911 H GLU 6 H GLU 6 8.951 23.676 -5.115 912 HA GLU 6 HA GLU 6 9.314 21.333 -3.437 913 1HB GLU 6 1HB GLU 6 7.655 22.403 -1.933 914 2HB GLU 6 2HB GLU 6 9.024 23.454 -2.234 915 1HG GLU 6 1HG GLU 6 7.597 25.056 -2.961 916 2HG GLU 6 2HG GLU 6 7.168 24.028 -4.314 917 H ALA 7 H ALA 7 8.217 19.513 -4.018 918 HA ALA 7 HA ALA 7 6.402 19.396 -6.083 919 1HB ALA 7 1HB ALA 7 6.745 17.211 -5.691 920 2HB ALA 7 2HB ALA 7 7.637 17.645 -4.213 921 3HB ALA 7 3HB ALA 7 5.888 17.324 -4.136 922 H LYS 8 H LYS 8 4.089 18.121 -5.361 923 HA LYS 8 HA LYS 8 2.702 20.260 -3.925 924 1HB LYS 8 1HB LYS 8 0.679 19.020 -5.046 925 2HB LYS 8 2HB LYS 8 1.671 20.131 -5.968 926 1HG LYS 8 1HG LYS 8 2.448 17.206 -5.874 927 2HG LYS 8 2HG LYS 8 1.125 17.699 -6.912 928 1HD LYS 8 1HD LYS 8 2.509 19.063 -8.265 929 2HD LYS 8 2HD LYS 8 3.729 19.240 -7.020 930 1HE LYS 8 1HE LYS 8 4.877 17.479 -7.869 931 2HE LYS 8 2HE LYS 8 3.505 16.428 -7.581 932 1HZ LYS 8 1HZ LYS 8 3.622 18.176 -9.927 933 2HZ LYS 8 2HZ LYS 8 4.278 16.680 -9.937 934 3HZ LYS 8 3HZ LYS 8 2.674 16.867 -9.691 935 H GLY 9 H GLY 9 3.108 16.681 -4.130 936 1HA GLY 9 1HA GLY 9 2.628 15.047 -2.662 937 2HA GLY 9 2HA GLY 9 3.050 16.211 -1.422 938 HA PRO 10 HA PRO 10 2.488 14.951 -0.060 939 1HB PRO 10 1HB PRO 10 1.247 13.013 1.413 940 2HB PRO 10 2HB PRO 10 1.478 14.652 1.987 941 1HG PRO 10 1HG PRO 10 -0.994 13.365 1.003 942 2HG PRO 10 2HG PRO 10 -0.822 14.822 1.960 943 1HD PRO 10 1HD PRO 10 -1.399 14.669 -0.846 944 2HD PRO 10 2HD PRO 10 -1.113 16.125 0.087 945 H VAL 11 H VAL 11 3.219 12.476 0.395 946 HA VAL 11 HA VAL 11 2.489 11.022 -2.038 947 HB VAL 11 HB VAL 11 5.005 12.308 -1.460 948 1HG1 VAL 11 1HG1 VAL 11 6.493 10.393 -2.002 949 2HG1 VAL 11 2HG1 VAL 11 5.685 10.220 -0.426 950 3HG1 VAL 11 3HG1 VAL 11 5.103 9.295 -1.831 951 1HG2 VAL 11 1HG2 VAL 11 3.729 12.310 -3.613 952 2HG2 VAL 11 2HG2 VAL 11 5.441 11.853 -3.788 953 3HG2 VAL 11 3HG2 VAL 11 4.177 10.601 -3.829 954 H LYS 12 H LYS 12 2.417 8.773 -1.786 955 HA LYS 12 HA LYS 12 3.009 7.843 0.937 956 1HB LYS 12 1HB LYS 12 0.705 6.999 -0.846 957 2HB LYS 12 2HB LYS 12 1.084 6.321 0.724 958 1HG LYS 12 1HG LYS 12 0.310 9.218 0.145 959 2HG LYS 12 2HG LYS 12 -0.681 8.022 0.955 960 1HD LYS 12 1HD LYS 12 1.534 7.891 2.541 961 2HD LYS 12 2HD LYS 12 1.685 9.548 1.991 962 1HE LYS 12 1HE LYS 12 -1.089 9.007 2.715 963 2HE LYS 12 2HE LYS 12 -0.035 8.550 4.039 964 1HZ LYS 12 1HZ LYS 12 -0.015 10.699 4.491 965 2HZ LYS 12 2HZ LYS 12 0.974 10.905 3.209 966 3HZ LYS 12 3HZ LYS 12 -0.634 11.136 3.044 967 H HIS 13 H HIS 13 4.270 6.027 1.121 968 HA HIS 13 HA HIS 13 5.000 4.773 -1.426 969 1HB HIS 13 1HB HIS 13 6.966 5.775 -0.805 970 2HB HIS 13 2HB HIS 13 6.621 5.671 0.910 971 HD1 HIS 13 HD1 HIS 13 8.357 3.911 -1.853 972 HD2 HIS 13 HD2 HIS 13 7.154 3.061 2.075 973 HE1 HIS 13 HE1 HIS 13 9.630 1.813 -1.153 974 HE2 HIS 13 HE2 HIS 13 8.890 1.371 1.287 975 H VAL 14 H VAL 14 4.858 2.545 -1.588 976 HA VAL 14 HA VAL 14 3.658 1.234 0.733 977 HB VAL 14 HB VAL 14 3.721 0.604 -2.219 978 1HG1 VAL 14 1HG1 VAL 14 3.411 -1.553 -1.744 979 2HG1 VAL 14 2HG1 VAL 14 3.424 -1.214 0.003 980 3HG1 VAL 14 3HG1 VAL 14 1.900 -1.117 -0.911 981 1HG2 VAL 14 1HG2 VAL 14 2.144 2.385 -1.140 982 2HG2 VAL 14 2HG2 VAL 14 1.474 1.193 -2.279 983 3HG2 VAL 14 3HG2 VAL 14 1.257 0.969 -0.527 984 H LEU 15 H LEU 15 4.659 -0.445 1.797 985 HA LEU 15 HA LEU 15 7.117 -1.478 0.595 986 1HB LEU 15 1HB LEU 15 7.509 0.423 2.261 987 2HB LEU 15 2HB LEU 15 6.961 -0.691 3.497 988 HG LEU 15 HG LEU 15 9.504 -0.413 3.027 989 1HD1 LEU 15 1HD1 LEU 15 9.844 -2.329 4.181 990 2HD1 LEU 15 2HD1 LEU 15 8.072 -2.266 4.337 991 3HD1 LEU 15 3HD1 LEU 15 8.820 -3.302 3.098 992 1HD2 LEU 15 1HD2 LEU 15 10.492 -1.597 1.296 993 2HD2 LEU 15 2HD2 LEU 15 9.048 -2.597 1.011 994 3HD2 LEU 15 3HD2 LEU 15 9.058 -0.888 0.516 995 H LEU 16 H LEU 16 7.367 -3.675 0.821 996 HA LEU 16 HA LEU 16 5.411 -4.989 2.576 997 1HB LEU 16 1HB LEU 16 4.677 -5.242 0.316 998 2HB LEU 16 2HB LEU 16 6.276 -5.720 -0.219 999 HG LEU 16 HG LEU 16 4.413 -7.510 0.112 1000 1HD1 LEU 16 1HD1 LEU 16 6.100 -9.208 0.661 1001 2HD1 LEU 16 2HD1 LEU 16 6.708 -8.023 -0.520 1002 3HD1 LEU 16 3HD1 LEU 16 7.218 -7.925 1.183 1003 1HD2 LEU 16 1HD2 LEU 16 5.463 -7.736 2.902 1004 2HD2 LEU 16 2HD2 LEU 16 4.145 -6.585 2.571 1005 3HD2 LEU 16 3HD2 LEU 16 3.933 -8.313 2.199 1006 H ALA 17 H ALA 17 6.270 -6.320 4.091 1007 HA ALA 17 HA ALA 17 8.913 -7.441 3.570 1008 1HB ALA 17 1HB ALA 17 9.580 -6.767 5.917 1009 2HB ALA 17 2HB ALA 17 9.432 -5.414 4.770 1010 3HB ALA 17 3HB ALA 17 8.141 -5.720 5.956 1011 H SER 18 H SER 18 9.237 -9.464 4.566 1012 HA SER 18 HA SER 18 6.916 -10.416 6.054 1013 1HB SER 18 1HB SER 18 8.501 -11.773 3.848 1014 2HB SER 18 2HB SER 18 7.580 -12.717 5.003 1015 HG SER 18 HG SER 18 5.801 -10.987 4.307 1016 H PHE 19 H PHE 19 7.366 -11.813 7.847 1017 HA PHE 19 HA PHE 19 10.150 -11.692 8.697 1018 1HB PHE 19 1HB PHE 19 7.409 -12.189 9.971 1019 2HB PHE 19 2HB PHE 19 8.869 -12.562 10.865 1020 HD1 PHE 19 HD1 PHE 19 6.452 -10.142 10.389 1021 HD2 PHE 19 HD2 PHE 19 10.660 -10.528 10.785 1022 HE1 PHE 19 HE1 PHE 19 6.600 -7.753 11.145 1023 HE2 PHE 19 HE2 PHE 19 10.808 -8.138 11.540 1024 HZ PHE 19 HZ PHE 19 8.776 -6.780 11.711 1025 H LYS 20 H LYS 20 11.425 -13.442 8.339 1026 HA LYS 20 HA LYS 20 10.730 -15.785 7.261 1027 1HB LYS 20 1HB LYS 20 12.878 -15.232 9.325 1028 2HB LYS 20 2HB LYS 20 12.763 -16.732 8.428 1029 1HG LYS 20 1HG LYS 20 12.530 -14.703 6.462 1030 2HG LYS 20 2HG LYS 20 13.776 -14.125 7.550 1031 1HD LYS 20 1HD LYS 20 14.334 -16.888 7.199 1032 2HD LYS 20 2HD LYS 20 13.894 -16.309 5.604 1033 1HE LYS 20 1HE LYS 20 15.577 -14.509 5.738 1034 2HE LYS 20 2HE LYS 20 15.951 -14.933 7.396 1035 1HZ LYS 20 1HZ LYS 20 16.778 -16.207 4.981 1036 2HZ LYS 20 2HZ LYS 20 17.487 -16.204 6.452 1037 3HZ LYS 20 3HZ LYS 20 16.281 -17.257 6.129 1038 H ASP 21 H ASP 21 10.449 -18.007 8.123 1039 HA ASP 21 HA ASP 21 8.415 -17.969 10.071 1040 1HB ASP 21 1HB ASP 21 8.858 -19.587 8.019 1041 2HB ASP 21 2HB ASP 21 9.864 -20.471 9.150 1042 H GLY 22 H GLY 22 8.824 -17.933 12.285 1043 1HA GLY 22 1HA GLY 22 9.703 -19.145 14.155 1044 2HA GLY 22 2HA GLY 22 11.191 -19.404 13.266 1045 H VAL 23 H VAL 23 9.388 -16.305 13.262 1046 HA VAL 23 HA VAL 23 11.732 -15.074 14.497 1047 HB VAL 23 HB VAL 23 9.417 -13.930 12.923 1048 1HG1 VAL 23 1HG1 VAL 23 10.025 -11.872 13.542 1049 2HG1 VAL 23 2HG1 VAL 23 11.077 -12.617 14.770 1050 3HG1 VAL 23 3HG1 VAL 23 11.734 -12.202 13.169 1051 1HG2 VAL 23 1HG2 VAL 23 10.758 -13.902 11.053 1052 2HG2 VAL 23 2HG2 VAL 23 12.267 -13.871 11.997 1053 3HG2 VAL 23 3HG2 VAL 23 11.346 -15.386 11.841 1054 H SER 24 H SER 24 11.679 -14.494 16.603 1055 HA SER 24 HA SER 24 9.572 -15.047 18.224 1056 1HB SER 24 1HB SER 24 11.740 -12.934 18.606 1057 2HB SER 24 2HB SER 24 10.718 -13.550 19.890 1058 HG SER 24 HG SER 24 11.799 -15.682 18.586 1059 HA PRO 25 HA PRO 25 6.830 -11.706 17.718 1060 1HB PRO 25 1HB PRO 25 5.499 -11.711 20.105 1061 2HB PRO 25 2HB PRO 25 5.134 -12.825 18.802 1062 1HG PRO 25 1HG PRO 25 6.578 -13.338 21.330 1063 2HG PRO 25 2HG PRO 25 5.841 -14.489 20.234 1064 1HD PRO 25 1HD PRO 25 8.639 -13.911 20.488 1065 2HD PRO 25 2HD PRO 25 7.891 -14.975 19.314 1066 H GLU 26 H GLU 26 8.703 -11.660 20.673 1067 HA GLU 26 HA GLU 26 8.232 -9.034 21.310 1068 1HB GLU 26 1HB GLU 26 10.179 -11.123 22.017 1069 2HB GLU 26 2HB GLU 26 10.887 -9.521 22.086 1070 1HG GLU 26 1HG GLU 26 8.928 -8.764 23.502 1071 2HG GLU 26 2HG GLU 26 8.329 -10.410 23.499 1072 H LYS 27 H LYS 27 10.295 -10.490 18.821 1073 HA LYS 27 HA LYS 27 11.832 -8.119 18.391 1074 1HB LYS 27 1HB LYS 27 12.469 -10.590 17.940 1075 2HB LYS 27 2HB LYS 27 11.548 -10.419 16.460 1076 1HG LYS 27 1HG LYS 27 13.062 -8.935 15.513 1077 2HG LYS 27 2HG LYS 27 13.493 -8.216 17.052 1078 1HD LYS 27 1HD LYS 27 14.354 -10.926 17.216 1079 2HD LYS 27 2HD LYS 27 14.804 -10.391 15.609 1080 1HE LYS 27 1HE LYS 27 16.278 -8.761 16.401 1081 2HE LYS 27 2HE LYS 27 15.372 -8.499 17.878 1082 1HZ LYS 27 1HZ LYS 27 17.256 -9.655 18.509 1083 2HZ LYS 27 2HZ LYS 27 16.110 -10.818 18.478 1084 3HZ LYS 27 3HZ LYS 27 17.190 -10.704 17.259 1085 H ILE 28 H ILE 28 8.900 -9.657 16.997 1086 HA ILE 28 HA ILE 28 8.662 -7.997 14.781 1087 HB ILE 28 HB ILE 28 6.712 -9.586 16.424 1088 1HG1 ILE 28 1HG1 ILE 28 7.403 -10.045 13.540 1089 2HG1 ILE 28 2HG1 ILE 28 8.550 -10.518 14.777 1090 1HG2 ILE 28 1HG2 ILE 28 6.126 -7.520 14.401 1091 2HG2 ILE 28 2HG2 ILE 28 5.336 -9.092 14.133 1092 3HG2 ILE 28 3HG2 ILE 28 5.094 -8.224 15.668 1093 1HD1 ILE 28 1HD1 ILE 28 7.343 -12.447 14.898 1094 2HD1 ILE 28 2HD1 ILE 28 6.165 -11.485 15.822 1095 3HD1 ILE 28 3HD1 ILE 28 5.943 -11.722 14.072 1096 H GLU 29 H GLU 29 7.294 -7.681 18.124 1097 HA GLU 29 HA GLU 29 6.061 -5.242 17.564 1098 1HB GLU 29 1HB GLU 29 5.847 -5.068 20.051 1099 2HB GLU 29 2HB GLU 29 5.331 -6.625 19.434 1100 1HG GLU 29 1HG GLU 29 7.431 -7.675 20.105 1101 2HG GLU 29 2HG GLU 29 8.148 -6.124 20.495 1102 H GLU 30 H GLU 30 9.313 -6.169 18.741 1103 HA GLU 30 HA GLU 30 10.089 -3.674 19.632 1104 1HB GLU 30 1HB GLU 30 11.424 -6.213 18.835 1105 2HB GLU 30 2HB GLU 30 12.443 -4.791 18.737 1106 1HG GLU 30 1HG GLU 30 10.904 -4.694 21.204 1107 2HG GLU 30 2HG GLU 30 11.698 -6.251 21.083 1108 H LEU 31 H LEU 31 10.120 -5.172 16.365 1109 HA LEU 31 HA LEU 31 11.661 -3.194 15.123 1110 1HB LEU 31 1HB LEU 31 10.052 -5.503 14.378 1111 2HB LEU 31 2HB LEU 31 9.929 -4.209 13.203 1112 HG LEU 31 HG LEU 31 11.690 -5.835 12.649 1113 1HD1 LEU 31 1HD1 LEU 31 12.712 -3.060 13.311 1114 2HD1 LEU 31 2HD1 LEU 31 13.503 -4.220 12.218 1115 3HD1 LEU 31 3HD1 LEU 31 11.897 -3.569 11.813 1116 1HD2 LEU 31 1HD2 LEU 31 13.773 -5.902 13.983 1117 2HD2 LEU 31 2HD2 LEU 31 12.978 -4.914 15.232 1118 3HD2 LEU 31 3HD2 LEU 31 12.361 -6.541 14.859 1119 H ILE 32 H ILE 32 8.087 -3.588 15.545 1120 HA ILE 32 HA ILE 32 7.474 -1.215 14.150 1121 HB ILE 32 HB ILE 32 5.925 -2.898 16.117 1122 1HG1 ILE 32 1HG1 ILE 32 5.567 -2.705 13.123 1123 2HG1 ILE 32 2HG1 ILE 32 6.677 -3.847 13.853 1124 1HG2 ILE 32 1HG2 ILE 32 5.229 -0.427 15.921 1125 2HG2 ILE 32 2HG2 ILE 32 4.699 -0.853 14.276 1126 3HG2 ILE 32 3HG2 ILE 32 3.986 -1.678 15.683 1127 1HD1 ILE 32 1HD1 ILE 32 4.940 -5.024 14.974 1128 2HD1 ILE 32 2HD1 ILE 32 3.794 -3.674 14.795 1129 3HD1 ILE 32 3HD1 ILE 32 4.247 -4.650 13.377 1130 H LYS 33 H LYS 33 7.915 -2.029 17.644 1131 HA LYS 33 HA LYS 33 7.208 0.438 18.666 1132 1HB LYS 33 1HB LYS 33 8.687 -1.944 19.569 1133 2HB LYS 33 2HB LYS 33 9.167 -0.464 20.375 1134 1HG LYS 33 1HG LYS 33 6.251 -1.307 20.055 1135 2HG LYS 33 2HG LYS 33 7.218 -1.731 21.455 1136 1HD LYS 33 1HD LYS 33 6.679 1.122 20.502 1137 2HD LYS 33 2HD LYS 33 5.847 0.334 21.827 1138 1HE LYS 33 1HE LYS 33 8.473 -0.072 22.569 1139 2HE LYS 33 2HE LYS 33 8.611 1.457 21.724 1140 1HZ LYS 33 1HZ LYS 33 7.239 0.857 24.173 1141 2HZ LYS 33 2HZ LYS 33 7.967 2.239 23.698 1142 3HZ LYS 33 3HZ LYS 33 6.457 1.892 23.182 1143 H GLY 34 H GLY 34 10.356 -0.747 17.364 1144 1HA GLY 34 1HA GLY 34 11.805 1.607 18.000 1145 2HA GLY 34 2HA GLY 34 12.263 0.347 16.871 1146 H TYR 35 H TYR 35 9.861 0.511 15.173 1147 HA TYR 35 HA TYR 35 10.729 2.428 13.356 1148 1HB TYR 35 1HB TYR 35 9.013 0.268 13.458 1149 2HB TYR 35 2HB TYR 35 7.827 1.555 13.546 1150 HD1 TYR 35 HD1 TYR 35 9.071 3.593 11.743 1151 HD2 TYR 35 HD2 TYR 35 8.694 -0.648 11.321 1152 HE1 TYR 35 HE1 TYR 35 9.149 3.830 9.213 1153 HE2 TYR 35 HE2 TYR 35 8.772 -0.396 8.792 1154 HH TYR 35 HH TYR 35 9.944 1.745 7.233 1155 H ALA 36 H ALA 36 8.070 2.510 15.806 1156 HA ALA 36 HA ALA 36 6.985 4.947 15.018 1157 1HB ALA 36 1HB ALA 36 5.842 3.405 16.515 1158 2HB ALA 36 2HB ALA 36 7.130 3.575 17.732 1159 3HB ALA 36 3HB ALA 36 6.075 4.958 17.353 1160 H ASN 37 H ASN 37 9.763 4.113 17.139 1161 HA ASN 37 HA ASN 37 10.096 6.758 18.033 1162 1HB ASN 37 1HB ASN 37 11.341 4.151 18.436 1163 2HB ASN 37 2HB ASN 37 12.596 5.341 18.155 1164 1HD2 ASN 37 1HD2 ASN 37 11.568 3.821 20.557 1165 2HD2 ASN 37 2HD2 ASN 37 11.339 5.010 21.795 1166 H LEU 38 H LEU 38 11.190 4.773 15.279 1167 HA LEU 38 HA LEU 38 13.418 6.203 14.486 1168 1HB LEU 38 1HB LEU 38 11.564 4.255 13.348 1169 2HB LEU 38 2HB LEU 38 12.218 5.348 12.146 1170 HG LEU 38 HG LEU 38 13.638 3.465 12.174 1171 1HD1 LEU 38 1HD1 LEU 38 14.681 5.830 12.301 1172 2HD1 LEU 38 2HD1 LEU 38 15.204 5.339 13.930 1173 3HD1 LEU 38 3HD1 LEU 38 15.733 4.409 12.508 1174 1HD2 LEU 38 1HD2 LEU 38 14.777 2.712 14.314 1175 2HD2 LEU 38 2HD2 LEU 38 13.577 3.695 15.185 1176 3HD2 LEU 38 3HD2 LEU 38 13.043 2.340 14.162 1177 H VAL 39 H VAL 39 9.962 6.957 14.272 1178 HA VAL 39 HA VAL 39 10.142 8.901 12.262 1179 HB VAL 39 HB VAL 39 8.209 8.615 14.571 1180 1HG1 VAL 39 1HG1 VAL 39 8.376 10.840 13.163 1181 2HG1 VAL 39 2HG1 VAL 39 7.500 9.882 11.944 1182 3HG1 VAL 39 3HG1 VAL 39 6.793 10.129 13.559 1183 1HG2 VAL 39 1HG2 VAL 39 6.882 7.701 12.382 1184 2HG2 VAL 39 2HG2 VAL 39 8.540 7.175 12.003 1185 3HG2 VAL 39 3HG2 VAL 39 7.768 6.659 13.522 1186 H ASN 40 H ASN 40 10.586 8.982 15.830 1187 HA ASN 40 HA ASN 40 11.059 11.819 15.668 1188 1HB ASN 40 1HB ASN 40 9.742 10.931 17.582 1189 2HB ASN 40 2HB ASN 40 11.058 9.862 18.027 1190 1HD2 ASN 40 1HD2 ASN 40 12.409 10.523 19.511 1191 2HD2 ASN 40 2HD2 ASN 40 12.699 12.155 20.014 1192 H LEU 41 H LEU 41 12.746 8.898 15.247 1193 HA LEU 41 HA LEU 41 15.160 9.571 16.613 1194 1HB LEU 41 1HB LEU 41 14.194 7.261 15.986 1195 2HB LEU 41 2HB LEU 41 14.877 7.558 14.400 1196 HG LEU 41 HG LEU 41 16.504 6.292 15.472 1197 1HD1 LEU 41 1HD1 LEU 41 17.439 8.314 14.419 1198 2HD1 LEU 41 2HD1 LEU 41 17.370 9.151 15.989 1199 3HD1 LEU 41 3HD1 LEU 41 18.429 7.736 15.781 1200 1HD2 LEU 41 1HD2 LEU 41 17.013 6.231 17.704 1201 2HD2 LEU 41 2HD2 LEU 41 16.644 7.953 17.956 1202 3HD2 LEU 41 3HD2 LEU 41 15.321 6.776 17.777 1203 H ILE 42 H ILE 42 14.041 9.587 13.164 1204 HA ILE 42 HA ILE 42 16.457 10.661 12.194 1205 HB ILE 42 HB ILE 42 13.690 10.732 10.985 1206 1HG1 ILE 42 1HG1 ILE 42 15.852 8.612 10.825 1207 2HG1 ILE 42 2HG1 ILE 42 14.291 8.454 11.605 1208 1HG2 ILE 42 1HG2 ILE 42 14.630 11.279 8.963 1209 2HG2 ILE 42 2HG2 ILE 42 15.673 12.195 10.077 1210 3HG2 ILE 42 3HG2 ILE 42 16.233 10.645 9.406 1211 1HD1 ILE 42 1HD1 ILE 42 13.305 7.906 9.643 1212 2HD1 ILE 42 2HD1 ILE 42 13.914 9.392 8.877 1213 3HD1 ILE 42 3HD1 ILE 42 14.916 7.921 8.886 1214 H GLU 43 H GLU 43 13.268 12.347 11.984 1215 HA GLU 43 HA GLU 43 13.640 14.383 13.648 1216 1HB GLU 43 1HB GLU 43 15.612 14.578 11.519 1217 2HB GLU 43 2HB GLU 43 14.528 15.953 11.439 1218 1HG GLU 43 1HG GLU 43 14.969 16.532 13.773 1219 2HG GLU 43 2HG GLU 43 15.856 15.043 14.032 1220 HA PRO 44 HA PRO 44 10.859 15.668 10.035 1221 1HB PRO 44 1HB PRO 44 10.980 14.344 7.648 1222 2HB PRO 44 2HB PRO 44 11.852 15.831 7.964 1223 1HG PRO 44 1HG PRO 44 12.890 13.067 7.826 1224 2HG PRO 44 2HG PRO 44 13.772 14.577 7.716 1225 1HD PRO 44 1HD PRO 44 13.642 12.829 9.985 1226 2HD PRO 44 2HD PRO 44 14.426 14.394 9.912 1227 H MET 45 H MET 45 10.790 12.586 8.450 1228 HA MET 45 HA MET 45 9.026 11.248 8.290 1229 1HB MET 45 1HB MET 45 9.661 11.098 11.291 1230 2HB MET 45 2HB MET 45 8.823 9.849 10.392 1231 1HG MET 45 1HG MET 45 11.672 10.809 9.829 1232 2HG MET 45 2HG MET 45 11.254 9.327 10.666 1233 1HE MET 45 1HE MET 45 9.555 7.152 8.033 1234 2HE MET 45 2HE MET 45 10.801 7.008 9.295 1235 3HE MET 45 3HE MET 45 9.276 7.857 9.644 1236 H LYS 46 H LYS 46 7.427 13.006 7.834 1237 HA LYS 46 HA LYS 46 5.980 14.424 9.589 1238 1HB LYS 46 1HB LYS 46 5.749 13.636 6.890 1239 2HB LYS 46 2HB LYS 46 4.197 13.275 7.618 1240 1HG LYS 46 1HG LYS 46 3.681 15.478 7.502 1241 2HG LYS 46 2HG LYS 46 4.929 15.798 8.690 1242 1HD LYS 46 1HD LYS 46 6.038 16.974 7.098 1243 2HD LYS 46 2HD LYS 46 6.360 15.457 6.283 1244 1HE LYS 46 1HE LYS 46 5.178 16.330 4.538 1245 2HE LYS 46 2HE LYS 46 3.749 15.969 5.486 1246 1HZ LYS 46 1HZ LYS 46 3.614 18.210 4.965 1247 2HZ LYS 46 2HZ LYS 46 4.119 18.213 6.518 1248 3HZ LYS 46 3HZ LYS 46 5.180 18.515 5.313 1249 H ALA 47 H ALA 47 5.042 11.081 8.500 1250 HA ALA 47 HA ALA 47 4.349 10.346 11.158 1251 1HB ALA 47 1HB ALA 47 2.417 11.821 10.530 1252 2HB ALA 47 2HB ALA 47 2.070 10.719 9.176 1253 3HB ALA 47 3HB ALA 47 1.948 10.134 10.853 1254 H PHE 48 H PHE 48 4.286 8.100 11.336 1255 HA PHE 48 HA PHE 48 4.790 6.701 8.817 1256 1HB PHE 48 1HB PHE 48 6.514 6.567 10.620 1257 2HB PHE 48 2HB PHE 48 5.294 6.115 11.794 1258 HD1 PHE 48 HD1 PHE 48 5.580 3.940 12.477 1259 HD2 PHE 48 HD2 PHE 48 6.164 4.864 8.377 1260 HE1 PHE 48 HE1 PHE 48 6.011 1.515 11.992 1261 HE2 PHE 48 HE2 PHE 48 6.595 2.439 7.892 1262 HZ PHE 48 HZ PHE 48 6.513 0.794 9.706 1263 H HIS 49 H HIS 49 3.328 5.253 8.021 1264 HA HIS 49 HA HIS 49 1.260 4.348 9.889 1265 1HB HIS 49 1HB HIS 49 1.005 5.830 7.400 1266 2HB HIS 49 2HB HIS 49 0.148 4.304 7.314 1267 HD1 HIS 49 HD1 HIS 49 -0.367 7.701 8.308 1268 HD2 HIS 49 HD2 HIS 49 -1.587 3.985 9.823 1269 HE1 HIS 49 HE1 HIS 49 -2.382 8.165 9.802 1270 HE2 HIS 49 HE2 HIS 49 -3.121 5.839 10.661 1271 H TRP 50 H TRP 50 0.265 2.224 9.266 1272 HA TRP 50 HA TRP 50 1.865 0.634 7.441 1273 1HB TRP 50 1HB TRP 50 2.465 -1.036 9.007 1274 2HB TRP 50 2HB TRP 50 3.043 0.502 9.617 1275 HD1 TRP 50 HD1 TRP 50 0.812 1.643 11.353 1276 HE1 TRP 50 HE1 TRP 50 -0.254 0.474 13.465 1277 HE3 TRP 50 HE3 TRP 50 2.155 -3.090 10.065 1278 HZ2 TRP 50 HZ2 TRP 50 -0.412 -2.238 14.340 1279 HZ3 TRP 50 HZ3 TRP 50 1.506 -4.940 11.603 1280 HH2 TRP 50 HH2 TRP 50 0.266 -4.575 13.678 1281 H GLY 51 H GLY 51 0.769 -1.609 7.222 1282 1HA GLY 51 1HA GLY 51 -2.026 -1.653 8.052 1283 2HA GLY 51 2HA GLY 51 -1.724 -1.532 6.330 1284 H LYS 52 H LYS 52 -2.365 -3.708 8.760 1285 HA LYS 52 HA LYS 52 -0.836 -5.829 7.418 1286 1HB LYS 52 1HB LYS 52 -0.826 -7.040 9.499 1287 2HB LYS 52 2HB LYS 52 -0.176 -5.436 9.769 1288 1HG LYS 52 1HG LYS 52 -1.758 -5.030 11.338 1289 2HG LYS 52 2HG LYS 52 -3.026 -5.280 10.154 1290 1HD LYS 52 1HD LYS 52 -3.445 -6.893 11.874 1291 2HD LYS 52 2HD LYS 52 -2.752 -7.804 10.547 1292 1HE LYS 52 1HE LYS 52 -1.461 -8.615 12.314 1293 2HE LYS 52 2HE LYS 52 -0.444 -7.292 11.777 1294 1HZ LYS 52 1HZ LYS 52 -2.029 -7.510 14.165 1295 2HZ LYS 52 2HZ LYS 52 -0.613 -6.733 13.920 1296 3HZ LYS 52 3HZ LYS 52 -2.018 -6.033 13.469 1297 H ASP 53 H ASP 53 -1.951 -7.899 7.127 1298 HA ASP 53 HA ASP 53 -4.217 -7.787 5.819 1299 1HB ASP 53 1HB ASP 53 -4.646 -10.172 6.525 1300 2HB ASP 53 2HB ASP 53 -2.994 -9.871 6.025 1301 H VAL 54 H VAL 54 -6.252 -6.973 6.335 1302 HA VAL 54 HA VAL 54 -7.086 -7.165 9.144 1303 HB VAL 54 HB VAL 54 -7.866 -5.224 6.960 1304 1HG1 VAL 54 1HG1 VAL 54 -8.989 -4.023 8.927 1305 2HG1 VAL 54 2HG1 VAL 54 -9.801 -5.473 8.289 1306 3HG1 VAL 54 3HG1 VAL 54 -8.859 -5.571 9.796 1307 1HG2 VAL 54 1HG2 VAL 54 -6.834 -3.706 8.954 1308 2HG2 VAL 54 2HG2 VAL 54 -5.855 -5.180 9.142 1309 3HG2 VAL 54 3HG2 VAL 54 -5.882 -4.322 7.583 1310 H SER 55 H SER 55 -8.569 -8.712 9.557 1311 HA SER 55 HA SER 55 -9.959 -10.361 9.120 1312 1HB SER 55 1HB SER 55 -11.281 -7.790 8.419 1313 2HB SER 55 2HB SER 55 -12.114 -9.214 7.829 1314 HG SER 55 HG SER 55 -12.445 -9.950 9.897 1315 H ILE 56 H ILE 56 -8.023 -10.736 7.295 1316 HA ILE 56 HA ILE 56 -9.272 -10.809 4.661 1317 HB ILE 56 HB ILE 56 -6.452 -11.057 5.666 1318 1HG1 ILE 56 1HG1 ILE 56 -7.309 -8.800 5.339 1319 2HG1 ILE 56 2HG1 ILE 56 -6.061 -9.170 4.166 1320 1HG2 ILE 56 1HG2 ILE 56 -5.921 -11.339 3.144 1321 2HG2 ILE 56 2HG2 ILE 56 -6.395 -12.765 4.098 1322 3HG2 ILE 56 3HG2 ILE 56 -7.581 -11.971 3.033 1323 1HD1 ILE 56 1HD1 ILE 56 -8.859 -8.467 3.716 1324 2HD1 ILE 56 2HD1 ILE 56 -7.520 -8.554 2.546 1325 3HD1 ILE 56 3HD1 ILE 56 -8.462 -10.014 2.931 1326 H GLU 57 H GLU 57 -9.413 -12.635 7.373 1327 HA GLU 57 HA GLU 57 -9.870 -14.712 7.808 1328 1HB GLU 57 1HB GLU 57 -10.574 -14.619 4.874 1329 2HB GLU 57 2HB GLU 57 -10.618 -16.162 5.702 1330 1HG GLU 57 1HG GLU 57 -11.926 -13.956 7.206 1331 2HG GLU 57 2HG GLU 57 -12.688 -14.314 5.669 1332 H ASN 58 H ASN 58 -8.772 -15.745 4.567 1333 HA ASN 58 HA ASN 58 -6.149 -16.319 5.532 1334 1HB ASN 58 1HB ASN 58 -7.921 -18.273 6.133 1335 2HB ASN 58 2HB ASN 58 -7.649 -18.720 4.460 1336 1HD2 ASN 58 1HD2 ASN 58 -6.785 -20.673 5.395 1337 2HD2 ASN 58 2HD2 ASN 58 -5.132 -20.745 5.908 1338 H LEU 59 H LEU 59 -5.875 -14.785 3.648 1339 HA LEU 59 HA LEU 59 -5.574 -16.261 1.202 1340 1HB LEU 59 1HB LEU 59 -7.978 -14.932 1.577 1341 2HB LEU 59 2HB LEU 59 -7.025 -13.795 0.644 1342 HG LEU 59 HG LEU 59 -8.366 -15.169 -0.825 1343 1HD1 LEU 59 1HD1 LEU 59 -5.413 -15.825 -0.979 1344 2HD1 LEU 59 2HD1 LEU 59 -6.585 -16.097 -2.290 1345 3HD1 LEU 59 3HD1 LEU 59 -6.254 -14.443 -1.721 1346 1HD2 LEU 59 1HD2 LEU 59 -8.734 -17.129 0.485 1347 2HD2 LEU 59 2HD2 LEU 59 -7.916 -17.628 -1.015 1348 3HD2 LEU 59 3HD2 LEU 59 -6.997 -17.517 0.506 1349 H HIS 60 H HIS 60 -3.381 -15.882 1.204 1350 HA HIS 60 HA HIS 60 -2.507 -13.394 0.319 1351 1HB HIS 60 1HB HIS 60 -1.177 -12.650 2.243 1352 2HB HIS 60 2HB HIS 60 -2.899 -12.595 2.562 1353 HD1 HIS 60 HD1 HIS 60 0.176 -14.689 3.384 1354 HD2 HIS 60 HD2 HIS 60 -3.746 -14.082 4.743 1355 HE1 HIS 60 HE1 HIS 60 -0.023 -15.962 5.587 1356 HE2 HIS 60 HE2 HIS 60 -2.437 -15.507 6.401 1357 H GLN 61 H GLN 61 -0.244 -13.461 -0.282 1358 HA GLN 61 HA GLN 61 0.627 -16.170 -0.579 1359 1HB GLN 61 1HB GLN 61 1.051 -13.622 -1.930 1360 2HB GLN 61 2HB GLN 61 2.592 -14.395 -1.614 1361 1HG GLN 61 1HG GLN 61 1.466 -15.036 -3.826 1362 2HG GLN 61 2HG GLN 61 1.979 -16.378 -2.822 1363 1HE2 GLN 61 1HE2 GLN 61 -0.741 -14.406 -3.840 1364 2HE2 GLN 61 2HE2 GLN 61 -2.006 -15.532 -3.476 1365 H GLY 62 H GLY 62 0.926 -13.814 1.812 1366 1HA GLY 62 1HA GLY 62 2.173 -14.521 3.769 1367 2HA GLY 62 2HA GLY 62 3.503 -14.955 2.714 1368 H TYR 63 H TYR 63 1.405 -12.025 2.473 1369 HA TYR 63 HA TYR 63 3.660 -10.338 2.201 1370 1HB TYR 63 1HB TYR 63 0.643 -10.231 2.449 1371 2HB TYR 63 2HB TYR 63 1.480 -8.735 2.811 1372 HD1 TYR 63 HD1 TYR 63 2.546 -7.435 1.067 1373 HD2 TYR 63 HD2 TYR 63 0.741 -11.209 0.171 1374 HE1 TYR 63 HE1 TYR 63 2.675 -6.915 -1.418 1375 HE2 TYR 63 HE2 TYR 63 0.877 -10.676 -2.311 1376 HH TYR 63 HH TYR 63 0.969 -8.674 -3.718 1377 H THR 64 H THR 64 1.445 -11.181 4.909 1378 HA THR 64 HA THR 64 1.750 -10.967 7.115 1379 HB THR 64 HB THR 64 4.356 -9.464 6.742 1380 HG1 THR 64 HG1 THR 64 3.760 -12.312 6.337 1381 1HG2 THR 64 1HG2 THR 64 4.733 -11.707 8.358 1382 2HG2 THR 64 2HG2 THR 64 4.393 -10.068 8.964 1383 3HG2 THR 64 3HG2 THR 64 3.063 -11.231 8.751 1384 H HIS 65 H HIS 65 2.964 -8.013 5.395 1385 HA HIS 65 HA HIS 65 0.793 -6.470 5.924 1386 1HB HIS 65 1HB HIS 65 1.760 -5.039 7.840 1387 2HB HIS 65 2HB HIS 65 0.931 -6.533 8.230 1388 HD1 HIS 65 HD1 HIS 65 2.253 -8.347 9.447 1389 HD2 HIS 65 HD2 HIS 65 4.650 -5.180 8.099 1390 HE1 HIS 65 HE1 HIS 65 4.553 -8.693 10.498 1391 HE2 HIS 65 HE2 HIS 65 5.997 -6.747 9.589 1392 H ILE 66 H ILE 66 1.394 -4.008 5.760 1393 HA ILE 66 HA ILE 66 3.947 -3.727 4.356 1394 HB ILE 66 HB ILE 66 2.848 -2.414 2.613 1395 1HG1 ILE 66 1HG1 ILE 66 0.138 -3.351 2.980 1396 2HG1 ILE 66 2HG1 ILE 66 0.645 -2.427 4.381 1397 1HG2 ILE 66 1HG2 ILE 66 2.164 -5.301 3.035 1398 2HG2 ILE 66 2HG2 ILE 66 1.510 -4.438 1.623 1399 3HG2 ILE 66 3HG2 ILE 66 3.270 -4.546 1.862 1400 1HD1 ILE 66 1HD1 ILE 66 0.891 -0.459 3.182 1401 2HD1 ILE 66 2HD1 ILE 66 1.366 -1.304 1.690 1402 3HD1 ILE 66 3HD1 ILE 66 -0.346 -1.244 2.172 1403 H PHE 67 H PHE 67 5.059 -1.885 4.885 1404 HA PHE 67 HA PHE 67 3.685 -0.117 6.768 1405 1HB PHE 67 1HB PHE 67 6.650 -0.567 6.073 1406 2HB PHE 67 2HB PHE 67 6.080 0.453 7.379 1407 HD1 PHE 67 HD1 PHE 67 7.090 -2.826 6.458 1408 HD2 PHE 67 HD2 PHE 67 4.705 -0.686 9.240 1409 HE1 PHE 67 HE1 PHE 67 7.147 -4.791 8.019 1410 HE2 PHE 67 HE2 PHE 67 4.762 -2.651 10.801 1411 HZ PHE 67 HZ PHE 67 5.983 -4.680 10.172 1412 H GLU 68 H GLU 68 2.897 1.735 5.887 1413 HA GLU 68 HA GLU 68 4.265 2.754 3.543 1414 1HB GLU 68 1HB GLU 68 1.861 2.451 3.289 1415 2HB GLU 68 2HB GLU 68 1.535 3.359 4.753 1416 1HG GLU 68 1HG GLU 68 2.835 5.314 3.536 1417 2HG GLU 68 2HG GLU 68 2.532 4.389 2.079 1418 H SER 69 H SER 69 5.431 4.661 3.564 1419 HA SER 69 HA SER 69 5.215 6.229 6.013 1420 1HB SER 69 1HB SER 69 7.725 6.731 5.608 1421 2HB SER 69 2HB SER 69 7.308 5.163 6.271 1422 HG SER 69 HG SER 69 7.605 5.567 3.429 1423 H THR 70 H THR 70 4.720 8.366 5.634 1424 HA THR 70 HA THR 70 4.657 9.261 2.879 1425 HB THR 70 HB THR 70 2.872 9.543 4.837 1426 HG1 THR 70 HG1 THR 70 3.892 11.678 3.095 1427 1HG2 THR 70 1HG2 THR 70 4.084 12.257 5.130 1428 2HG2 THR 70 2HG2 THR 70 3.183 11.288 6.321 1429 3HG2 THR 70 3HG2 THR 70 4.912 10.972 6.042 1430 H PHE 71 H PHE 71 5.848 10.900 1.955 1431 HA PHE 71 HA PHE 71 7.954 12.015 3.661 1432 1HB PHE 71 1HB PHE 71 8.104 10.914 0.789 1433 2HB PHE 71 2HB PHE 71 9.436 11.720 1.593 1434 HD1 PHE 71 HD1 PHE 71 10.066 10.645 3.959 1435 HD2 PHE 71 HD2 PHE 71 8.078 8.610 0.810 1436 HE1 PHE 71 HE1 PHE 71 10.830 8.446 4.897 1437 HE2 PHE 71 HE2 PHE 71 8.842 6.411 1.748 1438 HZ PHE 71 HZ PHE 71 10.209 6.355 3.781 1439 H GLU 72 H GLU 72 9.079 13.932 2.442 1440 HA GLU 72 HA GLU 72 6.976 15.694 1.732 1441 1HB GLU 72 1HB GLU 72 9.488 15.975 2.874 1442 2HB GLU 72 2HB GLU 72 9.758 16.608 1.263 1443 1HG GLU 72 1HG GLU 72 8.569 18.497 1.703 1444 2HG GLU 72 2HG GLU 72 7.212 17.583 2.330 1445 H SER 73 H SER 73 10.010 14.603 0.034 1446 HA SER 73 HA SER 73 8.519 14.450 -2.400 1447 1HB SER 73 1HB SER 73 9.223 16.864 -2.269 1448 2HB SER 73 2HB SER 73 10.897 16.351 -2.195 1449 HG SER 73 HG SER 73 10.036 16.955 -4.377 1450 H LYS 74 H LYS 74 9.927 13.486 -4.194 1451 HA LYS 74 HA LYS 74 11.286 11.274 -3.271 1452 1HB LYS 74 1HB LYS 74 10.298 11.410 -5.486 1453 2HB LYS 74 2HB LYS 74 11.415 12.674 -5.956 1454 1HG LYS 74 1HG LYS 74 13.268 11.209 -6.026 1455 2HG LYS 74 2HG LYS 74 12.530 10.054 -4.933 1456 1HD LYS 74 1HD LYS 74 12.399 9.019 -7.079 1457 2HD LYS 74 2HD LYS 74 10.779 9.616 -6.777 1458 1HE LYS 74 1HE LYS 74 11.150 11.571 -8.197 1459 2HE LYS 74 2HE LYS 74 12.859 11.209 -8.343 1460 1HZ LYS 74 1HZ LYS 74 10.897 9.228 -9.189 1461 2HZ LYS 74 2HZ LYS 74 11.260 10.478 -10.176 1462 3HZ LYS 74 3HZ LYS 74 12.431 9.441 -9.707 1463 H GLU 75 H GLU 75 12.380 14.601 -3.815 1464 HA GLU 75 HA GLU 75 15.100 14.024 -3.941 1465 1HB GLU 75 1HB GLU 75 13.496 16.497 -3.228 1466 2HB GLU 75 2HB GLU 75 15.245 16.512 -3.117 1467 1HG GLU 75 1HG GLU 75 15.148 15.511 -5.570 1468 2HG GLU 75 2HG GLU 75 13.512 16.139 -5.576 1469 H ALA 76 H ALA 76 12.843 14.691 -1.217 1470 HA ALA 76 HA ALA 76 14.897 14.774 0.743 1471 1HB ALA 76 1HB ALA 76 13.072 14.900 2.299 1472 2HB ALA 76 2HB ALA 76 12.584 15.826 0.860 1473 3HB ALA 76 3HB ALA 76 11.939 14.189 1.126 1474 H VAL 77 H VAL 77 12.894 12.252 -0.786 1475 HA VAL 77 HA VAL 77 13.176 10.241 1.075 1476 HB VAL 77 HB VAL 77 12.860 10.349 -1.905 1477 1HG1 VAL 77 1HG1 VAL 77 14.241 8.358 -1.471 1478 2HG1 VAL 77 2HG1 VAL 77 13.052 7.793 -0.273 1479 3HG1 VAL 77 3HG1 VAL 77 12.597 7.914 -1.990 1480 1HG2 VAL 77 1HG2 VAL 77 11.037 9.118 0.174 1481 2HG2 VAL 77 2HG2 VAL 77 10.999 10.853 -0.224 1482 3HG2 VAL 77 3HG2 VAL 77 10.643 9.644 -1.481 1483 H ALA 78 H ALA 78 15.480 11.530 -1.336 1484 HA ALA 78 HA ALA 78 17.323 9.445 -1.248 1485 1HB ALA 78 1HB ALA 78 18.883 11.137 -2.136 1486 2HB ALA 78 2HB ALA 78 17.293 11.259 -2.927 1487 3HB ALA 78 3HB ALA 78 17.753 12.431 -1.669 1488 H GLU 79 H GLU 79 17.033 12.470 0.728 1489 HA GLU 79 HA GLU 79 19.307 11.975 2.232 1490 1HB GLU 79 1HB GLU 79 16.972 13.795 2.337 1491 2HB GLU 79 2HB GLU 79 17.657 13.449 3.912 1492 1HG GLU 79 1HG GLU 79 19.911 13.875 2.266 1493 2HG GLU 79 2HG GLU 79 18.756 15.075 1.722 1494 H TYR 80 H TYR 80 15.883 10.965 2.598 1495 HA TYR 80 HA TYR 80 16.090 9.989 5.215 1496 1HB TYR 80 1HB TYR 80 13.954 10.406 4.025 1497 2HB TYR 80 2HB TYR 80 14.423 9.344 2.713 1498 HD1 TYR 80 HD1 TYR 80 13.272 7.341 2.633 1499 HD2 TYR 80 HD2 TYR 80 14.118 9.070 6.454 1500 HE1 TYR 80 HE1 TYR 80 12.080 5.410 3.778 1501 HE2 TYR 80 HE2 TYR 80 12.923 7.132 7.587 1502 HH TYR 80 HH TYR 80 11.830 4.362 5.740 1503 H ILE 81 H ILE 81 16.633 8.454 1.991 1504 HA ILE 81 HA ILE 81 17.060 5.878 3.097 1505 HB ILE 81 HB ILE 81 17.539 7.147 0.414 1506 1HG1 ILE 81 1HG1 ILE 81 15.691 4.881 1.195 1507 2HG1 ILE 81 2HG1 ILE 81 15.211 6.565 1.258 1508 1HG2 ILE 81 1HG2 ILE 81 18.398 4.430 1.385 1509 2HG2 ILE 81 2HG2 ILE 81 17.963 4.708 -0.319 1510 3HG2 ILE 81 3HG2 ILE 81 19.299 5.624 0.420 1511 1HD1 ILE 81 1HD1 ILE 81 14.542 6.108 -0.905 1512 2HD1 ILE 81 2HD1 ILE 81 16.232 6.544 -1.250 1513 3HD1 ILE 81 3HD1 ILE 81 15.764 4.832 -1.123 1514 H ALA 82 H ALA 82 19.031 8.767 2.570 1515 HA ALA 82 HA ALA 82 21.480 7.272 3.003 1516 1HB ALA 82 1HB ALA 82 21.461 10.251 2.921 1517 2HB ALA 82 2HB ALA 82 22.524 9.089 2.091 1518 3HB ALA 82 3HB ALA 82 20.897 9.421 1.450 1519 H HIS 83 H HIS 83 19.784 6.894 5.151 1520 HA HIS 83 HA HIS 83 20.957 8.684 7.153 1521 1HB HIS 83 1HB HIS 83 18.313 8.520 6.599 1522 2HB HIS 83 2HB HIS 83 18.439 7.241 7.790 1523 HD1 HIS 83 HD1 HIS 83 18.166 7.989 10.154 1524 HD2 HIS 83 HD2 HIS 83 19.566 11.073 7.680 1525 HE1 HIS 83 HE1 HIS 83 18.300 10.075 11.618 1526 HE2 HIS 83 HE2 HIS 83 19.218 11.923 10.057 1527 HA PRO 84 HA PRO 84 22.709 5.023 8.688 1528 1HB PRO 84 1HB PRO 84 23.734 5.984 11.032 1529 2HB PRO 84 2HB PRO 84 24.544 6.161 9.489 1530 1HG PRO 84 1HG PRO 84 23.074 8.193 11.054 1531 2HG PRO 84 2HG PRO 84 24.228 8.430 9.757 1532 1HD PRO 84 1HD PRO 84 21.375 8.662 9.578 1533 2HD PRO 84 2HD PRO 84 22.521 8.785 8.259 1534 H ALA 85 H ALA 85 20.472 6.865 10.602 1535 HA ALA 85 HA ALA 85 20.073 4.909 12.571 1536 1HB ALA 85 1HB ALA 85 18.805 6.569 13.402 1537 2HB ALA 85 2HB ALA 85 19.154 7.508 11.931 1538 3HB ALA 85 3HB ALA 85 17.701 6.483 12.008 1539 H HIS 86 H HIS 86 18.442 5.598 9.415 1540 HA HIS 86 HA HIS 86 16.618 3.449 9.757 1541 1HB HIS 86 1HB HIS 86 15.728 5.070 8.412 1542 2HB HIS 86 2HB HIS 86 17.260 5.459 7.655 1543 HD1 HIS 86 HD1 HIS 86 17.855 4.267 5.465 1544 HD2 HIS 86 HD2 HIS 86 14.382 2.775 7.283 1545 HE1 HIS 86 HE1 HIS 86 16.764 2.717 3.757 1546 HE2 HIS 86 HE2 HIS 86 14.664 1.788 4.950 1547 H VAL 87 H VAL 87 19.771 3.954 8.114 1548 HA VAL 87 HA VAL 87 19.808 1.589 6.659 1549 HB VAL 87 HB VAL 87 21.835 3.496 7.748 1550 1HG1 VAL 87 1HG1 VAL 87 22.502 0.842 6.433 1551 2HG1 VAL 87 2HG1 VAL 87 23.648 2.185 6.652 1552 3HG1 VAL 87 3HG1 VAL 87 22.950 1.371 8.073 1553 1HG2 VAL 87 1HG2 VAL 87 20.350 3.509 5.490 1554 2HG2 VAL 87 2HG2 VAL 87 21.959 4.259 5.613 1555 3HG2 VAL 87 3HG2 VAL 87 21.785 2.635 4.904 1556 H GLU 88 H GLU 88 20.868 2.329 10.037 1557 HA GLU 88 HA GLU 88 21.890 -0.199 10.527 1558 1HB GLU 88 1HB GLU 88 22.023 2.090 11.868 1559 2HB GLU 88 2HB GLU 88 20.624 1.459 12.714 1560 1HG GLU 88 1HG GLU 88 22.285 0.548 14.050 1561 2HG GLU 88 2HG GLU 88 22.138 -0.752 12.884 1562 H PHE 89 H PHE 89 18.604 1.220 10.988 1563 HA PHE 89 HA PHE 89 17.547 -1.050 12.279 1564 1HB PHE 89 1HB PHE 89 16.479 1.144 12.459 1565 2HB PHE 89 2HB PHE 89 16.484 1.364 10.720 1566 HD1 PHE 89 HD1 PHE 89 14.917 -0.017 9.314 1567 HD2 PHE 89 HD2 PHE 89 14.662 0.092 13.548 1568 HE1 PHE 89 HE1 PHE 89 12.571 -0.902 9.196 1569 HE2 PHE 89 HE2 PHE 89 12.316 -0.793 13.430 1570 HZ PHE 89 HZ PHE 89 11.299 -1.280 11.255 1571 H ALA 90 H ALA 90 17.821 -0.006 8.855 1572 HA ALA 90 HA ALA 90 16.084 -2.025 7.871 1573 1HB ALA 90 1HB ALA 90 16.742 0.213 6.797 1574 2HB ALA 90 2HB ALA 90 18.273 -0.576 6.347 1575 3HB ALA 90 3HB ALA 90 16.729 -1.211 5.729 1576 H THR 91 H THR 91 19.542 -1.782 8.683 1577 HA THR 91 HA THR 91 20.333 -4.104 7.254 1578 HB THR 91 HB THR 91 21.560 -2.600 9.627 1579 HG1 THR 91 HG1 THR 91 21.105 -1.464 7.526 1580 1HG2 THR 91 1HG2 THR 91 22.557 -4.915 9.153 1581 2HG2 THR 91 2HG2 THR 91 22.907 -4.344 7.504 1582 3HG2 THR 91 3HG2 THR 91 23.685 -3.561 8.900 1583 H ILE 92 H ILE 92 19.407 -3.497 10.696 1584 HA ILE 92 HA ILE 92 19.828 -6.158 11.484 1585 HB ILE 92 HB ILE 92 18.162 -3.921 12.634 1586 1HG1 ILE 92 1HG1 ILE 92 20.740 -4.985 13.759 1587 2HG1 ILE 92 2HG1 ILE 92 20.774 -3.850 12.424 1588 1HG2 ILE 92 1HG2 ILE 92 17.587 -6.446 13.216 1589 2HG2 ILE 92 2HG2 ILE 92 18.992 -6.258 14.293 1590 3HG2 ILE 92 3HG2 ILE 92 17.594 -5.168 14.455 1591 1HD1 ILE 92 1HD1 ILE 92 20.872 -2.510 14.407 1592 2HD1 ILE 92 2HD1 ILE 92 19.199 -2.357 13.820 1593 3HD1 ILE 92 3HD1 ILE 92 19.567 -3.437 15.187 1594 H PHE 93 H PHE 93 16.918 -4.359 10.319 1595 HA PHE 93 HA PHE 93 15.099 -6.413 10.686 1596 1HB PHE 93 1HB PHE 93 14.728 -3.947 10.070 1597 2HB PHE 93 2HB PHE 93 15.314 -4.301 8.457 1598 HD1 PHE 93 HD1 PHE 93 12.996 -6.271 10.609 1599 HD2 PHE 93 HD2 PHE 93 13.483 -3.990 7.064 1600 HE1 PHE 93 HE1 PHE 93 10.668 -6.881 9.897 1601 HE2 PHE 93 HE2 PHE 93 11.155 -4.600 6.352 1602 HZ PHE 93 HZ PHE 93 9.775 -6.038 7.776 1603 H LEU 94 H LEU 94 17.301 -5.668 7.926 1604 HA LEU 94 HA LEU 94 16.230 -7.619 6.212 1605 1HB LEU 94 1HB LEU 94 18.700 -5.956 6.336 1606 2HB LEU 94 2HB LEU 94 18.693 -7.339 5.259 1607 HG LEU 94 HG LEU 94 16.367 -5.474 5.103 1608 1HD1 LEU 94 1HD1 LEU 94 17.773 -3.700 5.018 1609 2HD1 LEU 94 2HD1 LEU 94 19.178 -4.687 4.550 1610 3HD1 LEU 94 3HD1 LEU 94 17.958 -4.243 3.333 1611 1HD2 LEU 94 1HD2 LEU 94 17.936 -6.632 2.814 1612 2HD2 LEU 94 2HD2 LEU 94 16.796 -7.638 3.740 1613 3HD2 LEU 94 3HD2 LEU 94 16.217 -6.180 2.899 1614 H GLY 95 H GLY 95 18.394 -7.737 8.987 1615 1HA GLY 95 1HA GLY 95 19.794 -10.090 8.443 1616 2HA GLY 95 2HA GLY 95 19.412 -9.448 10.028 1617 H SER 96 H SER 96 16.572 -9.534 10.016 1618 HA SER 96 HA SER 96 16.151 -12.408 9.741 1619 1HB SER 96 1HB SER 96 15.125 -10.478 11.863 1620 2HB SER 96 2HB SER 96 14.489 -12.099 11.665 1621 HG SER 96 HG SER 96 16.216 -11.908 13.292 1622 H LEU 97 H LEU 97 15.646 -10.999 7.488 1623 HA LEU 97 HA LEU 97 12.744 -10.544 7.573 1624 1HB LEU 97 1HB LEU 97 13.718 -8.459 7.154 1625 2HB LEU 97 2HB LEU 97 14.932 -9.128 6.081 1626 HG LEU 97 HG LEU 97 12.117 -9.480 5.210 1627 1HD1 LEU 97 1HD1 LEU 97 11.684 -7.268 4.589 1628 2HD1 LEU 97 2HD1 LEU 97 12.291 -7.143 6.257 1629 3HD1 LEU 97 3HD1 LEU 97 13.361 -6.753 4.889 1630 1HD2 LEU 97 1HD2 LEU 97 14.723 -8.726 3.870 1631 2HD2 LEU 97 2HD2 LEU 97 13.831 -10.263 3.759 1632 3HD2 LEU 97 3HD2 LEU 97 13.157 -8.787 3.025 1633 H ASP 98 H ASP 98 11.482 -11.457 5.893 1634 HA ASP 98 HA ASP 98 12.766 -13.744 4.730 1635 1HB ASP 98 1HB ASP 98 10.594 -14.131 5.714 1636 2HB ASP 98 2HB ASP 98 9.894 -12.750 4.893 1637 H LYS 99 H LYS 99 10.497 -11.107 3.609 1638 HA LYS 99 HA LYS 99 12.047 -10.950 1.135 1639 1HB LYS 99 1HB LYS 99 9.075 -11.435 1.372 1640 2HB LYS 99 2HB LYS 99 9.778 -10.697 -0.053 1641 1HG LYS 99 1HG LYS 99 11.065 -12.635 -0.581 1642 2HG LYS 99 2HG LYS 99 10.928 -13.285 1.040 1643 1HD LYS 99 1HD LYS 99 9.463 -14.502 -0.569 1644 2HD LYS 99 2HD LYS 99 8.533 -13.750 0.711 1645 1HE LYS 99 1HE LYS 99 7.336 -12.581 -0.819 1646 2HE LYS 99 2HE LYS 99 8.798 -11.806 -1.394 1647 1HZ LYS 99 1HZ LYS 99 8.068 -14.507 -2.253 1648 2HZ LYS 99 2HZ LYS 99 7.510 -13.182 -3.027 1649 3HZ LYS 99 3HZ LYS 99 9.116 -13.472 -2.959 1650 H VAL 100 H VAL 100 11.818 -8.864 0.028 1651 HA VAL 100 HA VAL 100 10.438 -6.785 1.469 1652 HB VAL 100 HB VAL 100 12.362 -6.727 2.787 1653 1HG1 VAL 100 1HG1 VAL 100 13.614 -8.197 0.939 1654 2HG1 VAL 100 2HG1 VAL 100 14.332 -6.617 0.545 1655 3HG1 VAL 100 3HG1 VAL 100 14.497 -7.285 2.186 1656 1HG2 VAL 100 1HG2 VAL 100 13.532 -4.637 2.128 1657 2HG2 VAL 100 2HG2 VAL 100 12.758 -4.736 0.528 1658 3HG2 VAL 100 3HG2 VAL 100 11.762 -4.514 1.987 1659 H LEU 101 H LEU 101 9.509 -5.516 -0.049 1660 HA LEU 101 HA LEU 101 10.958 -5.183 -2.572 1661 1HB LEU 101 1HB LEU 101 8.841 -6.867 -2.361 1662 2HB LEU 101 2HB LEU 101 8.017 -5.369 -2.747 1663 HG LEU 101 HG LEU 101 8.551 -6.803 -4.716 1664 1HD1 LEU 101 1HD1 LEU 101 8.737 -4.021 -4.437 1665 2HD1 LEU 101 2HD1 LEU 101 10.109 -4.486 -5.471 1666 3HD1 LEU 101 3HD1 LEU 101 8.452 -4.947 -5.930 1667 1HD2 LEU 101 1HD2 LEU 101 10.630 -7.443 -5.322 1668 2HD2 LEU 101 2HD2 LEU 101 11.390 -5.949 -4.723 1669 3HD2 LEU 101 3HD2 LEU 101 10.955 -7.245 -3.583 1670 H VAL 102 H VAL 102 11.094 -3.086 -3.236 1671 HA VAL 102 HA VAL 102 9.646 -1.150 -1.593 1672 HB VAL 102 HB VAL 102 12.080 -0.945 -3.373 1673 1HG1 VAL 102 1HG1 VAL 102 11.997 1.298 -3.332 1674 2HG1 VAL 102 2HG1 VAL 102 10.283 1.099 -2.897 1675 3HG1 VAL 102 3HG1 VAL 102 11.502 1.339 -1.623 1676 1HG2 VAL 102 1HG2 VAL 102 12.426 -2.082 -1.204 1677 2HG2 VAL 102 2HG2 VAL 102 13.292 -0.530 -1.298 1678 3HG2 VAL 102 3HG2 VAL 102 11.782 -0.651 -0.364 1679 H ILE 103 H ILE 103 7.926 -0.061 -2.401 1680 HA ILE 103 HA ILE 103 7.796 0.369 -5.268 1681 HB ILE 103 HB ILE 103 5.566 -1.006 -3.768 1682 1HG1 ILE 103 1HG1 ILE 103 7.533 -2.480 -4.111 1683 2HG1 ILE 103 2HG1 ILE 103 6.102 -3.011 -4.972 1684 1HG2 ILE 103 1HG2 ILE 103 5.740 0.368 -6.349 1685 2HG2 ILE 103 2HG2 ILE 103 5.106 -1.291 -6.466 1686 3HG2 ILE 103 3HG2 ILE 103 4.319 -0.111 -5.390 1687 1HD1 ILE 103 1HD1 ILE 103 7.804 -1.157 -6.542 1688 2HD1 ILE 103 2HD1 ILE 103 8.598 -2.691 -6.114 1689 3HD1 ILE 103 3HD1 ILE 103 7.067 -2.704 -7.020 1690 H ASP 104 H ASP 104 6.603 2.229 -5.828 1691 HA ASP 104 HA ASP 104 6.088 3.907 -3.535 1692 1HB ASP 104 1HB ASP 104 7.326 4.382 -5.959 1693 2HB ASP 104 2HB ASP 104 5.714 4.981 -6.295 1694 H TYR 105 H TYR 105 4.032 5.258 -3.547 1695 HA TYR 105 HA TYR 105 1.887 4.039 -5.136 1696 1HB TYR 105 1HB TYR 105 1.621 3.077 -2.937 1697 2HB TYR 105 2HB TYR 105 2.268 4.500 -2.145 1698 HD1 TYR 105 HD1 TYR 105 0.493 4.748 -0.544 1699 HD2 TYR 105 HD2 TYR 105 -0.380 4.653 -4.731 1700 HE1 TYR 105 HE1 TYR 105 -1.871 5.559 -0.077 1701 HE2 TYR 105 HE2 TYR 105 -2.741 5.464 -4.250 1702 HH TYR 105 HH TYR 105 -4.082 5.397 -1.196 1703 H LYS 106 H LYS 106 1.093 5.623 -6.427 1704 HA LYS 106 HA LYS 106 0.806 8.279 -5.203 1705 1HB LYS 106 1HB LYS 106 2.564 7.717 -7.207 1706 2HB LYS 106 2HB LYS 106 1.145 8.140 -8.142 1707 1HG LYS 106 1HG LYS 106 1.064 10.148 -6.294 1708 2HG LYS 106 2HG LYS 106 2.790 9.846 -6.304 1709 1HD LYS 106 1HD LYS 106 3.004 10.961 -8.265 1710 2HD LYS 106 2HD LYS 106 1.899 9.847 -9.045 1711 1HE LYS 106 1HE LYS 106 -0.041 11.200 -8.141 1712 2HE LYS 106 2HE LYS 106 1.105 12.346 -7.474 1713 1HZ LYS 106 1HZ LYS 106 0.637 11.727 -10.296 1714 2HZ LYS 106 2HZ LYS 106 0.505 13.170 -9.543 1715 3HZ LYS 106 3HZ LYS 106 1.979 12.518 -9.806 1716 HA PRO 107 HA PRO 107 -3.353 7.432 -6.190 1717 1HB PRO 107 1HB PRO 107 -4.447 9.650 -5.028 1718 2HB PRO 107 2HB PRO 107 -4.082 8.184 -4.140 1719 1HG PRO 107 1HG PRO 107 -2.629 10.759 -4.144 1720 2HG PRO 107 2HG PRO 107 -2.546 9.454 -2.978 1721 1HD PRO 107 1HD PRO 107 -0.616 10.064 -5.009 1722 2HD PRO 107 2HD PRO 107 -0.592 8.693 -3.919 1723 H THR 108 H THR 108 -3.154 7.468 -8.447 1724 HA THR 108 HA THR 108 -3.624 10.159 -9.543 1725 HB THR 108 HB THR 108 -2.213 7.654 -10.536 1726 HG1 THR 108 HG1 THR 108 -1.043 9.389 -9.453 1727 1HG2 THR 108 1HG2 THR 108 -2.141 9.758 -12.497 1728 2HG2 THR 108 2HG2 THR 108 -2.772 8.106 -12.703 1729 3HG2 THR 108 3HG2 THR 108 -3.855 9.411 -12.161 1730 H SER 109 H SER 109 -5.892 10.094 -8.981 1731 HA SER 109 HA SER 109 -7.429 8.016 -10.202 1732 1HB SER 109 1HB SER 109 -7.819 10.055 -8.160 1733 2HB SER 109 2HB SER 109 -9.132 10.123 -9.318 1734 HG SER 109 HG SER 109 -9.942 8.394 -8.370 1735 H VAL 110 H VAL 110 -9.083 8.396 -11.864 1736 HA VAL 110 HA VAL 110 -8.256 10.509 -13.685 1737 HB VAL 110 HB VAL 110 -8.443 8.113 -14.375 1738 1HG1 VAL 110 1HG1 VAL 110 -11.440 8.550 -14.280 1739 2HG1 VAL 110 2HG1 VAL 110 -10.555 7.054 -14.664 1740 3HG1 VAL 110 3HG1 VAL 110 -10.541 7.696 -13.003 1741 1HG2 VAL 110 1HG2 VAL 110 -8.521 10.010 -15.980 1742 2HG2 VAL 110 2HG2 VAL 110 -9.448 8.593 -16.530 1743 3HG2 VAL 110 3HG2 VAL 110 -10.297 10.006 -15.858 1744 H SER 111 H SER 111 -9.626 12.167 -14.398 1745 HA SER 111 HA SER 111 -11.612 12.893 -12.547 1746 1HB SER 111 1HB SER 111 -11.944 14.499 -14.841 1747 2HB SER 111 2HB SER 111 -11.008 14.889 -13.412 1748 HG SER 111 HG SER 111 -9.233 14.727 -14.583 1749 H LEU 112 H LEU 112 -13.792 12.431 -12.563 1750 HA LEU 112 HA LEU 112 -14.854 11.288 -15.054 1751 1HB LEU 112 1HB LEU 112 -16.441 10.071 -13.560 1752 2HB LEU 112 2HB LEU 112 -14.768 9.555 -13.482 1753 HG LEU 112 HG LEU 112 -15.537 11.590 -11.476 1754 1HD1 LEU 112 1HD1 LEU 112 -16.390 9.156 -10.327 1755 2HD1 LEU 112 2HD1 LEU 112 -17.357 10.609 -10.677 1756 3HD1 LEU 112 3HD1 LEU 112 -17.235 9.308 -11.886 1757 1HD2 LEU 112 1HD2 LEU 112 -13.460 10.833 -10.992 1758 2HD2 LEU 112 2HD2 LEU 112 -14.379 9.598 -10.099 1759 3HD2 LEU 112 3HD2 LEU 112 -13.744 9.235 -11.722 Start of MODEL 13 1 1H GLY 1 1H GLY 1 -23.000 21.382 17.581 2 1HA GLY 1 1HA GLY 1 -20.822 19.869 16.320 3 2HA GLY 1 2HA GLY 1 -22.158 20.669 15.515 4 H SER 2 H SER 2 -19.559 21.630 17.882 5 HA SER 2 HA SER 2 -19.211 24.019 16.259 6 1HB SER 2 1HB SER 2 -19.184 23.474 19.137 7 2HB SER 2 2HB SER 2 -17.712 24.287 18.643 8 HG SER 2 HG SER 2 -19.556 25.717 19.230 9 H HIS 3 H HIS 3 -17.195 21.820 18.359 10 HA HIS 3 HA HIS 3 -14.781 22.472 17.229 11 1HB HIS 3 1HB HIS 3 -15.865 20.226 18.837 12 2HB HIS 3 2HB HIS 3 -14.373 19.898 17.980 13 HD1 HIS 3 HD1 HIS 3 -12.900 22.593 18.286 14 HD2 HIS 3 HD2 HIS 3 -14.999 20.708 21.390 15 HE1 HIS 3 HE1 HIS 3 -11.920 23.495 20.463 16 HE2 HIS 3 HE2 HIS 3 -13.287 22.341 22.333 17 H MET 4 H MET 4 -13.396 20.512 16.103 18 HA MET 4 HA MET 4 -14.969 19.877 13.728 19 1HB MET 4 1HB MET 4 -12.437 21.203 14.108 20 2HB MET 4 2HB MET 4 -12.078 19.663 13.352 21 1HG MET 4 1HG MET 4 -12.499 20.963 11.456 22 2HG MET 4 2HG MET 4 -14.100 20.308 11.738 23 1HE MET 4 1HE MET 4 -15.900 23.035 11.040 24 2HE MET 4 2HE MET 4 -15.786 21.324 11.515 25 3HE MET 4 3HE MET 4 -16.329 22.541 12.695 26 H GLU 5 H GLU 5 -15.750 17.850 14.611 27 HA GLU 5 HA GLU 5 -14.111 15.966 15.763 28 1HB GLU 5 1HB GLU 5 -15.944 14.348 15.147 29 2HB GLU 5 2HB GLU 5 -16.518 15.797 15.948 30 1HG GLU 5 1HG GLU 5 -16.370 15.906 12.952 31 2HG GLU 5 2HG GLU 5 -17.593 14.850 13.629 32 H GLU 6 H GLU 6 -13.068 14.052 14.943 33 HA GLU 6 HA GLU 6 -12.428 14.317 12.115 34 1HB GLU 6 1HB GLU 6 -10.792 14.001 14.425 35 2HB GLU 6 2HB GLU 6 -10.689 12.482 13.558 36 1HG GLU 6 1HG GLU 6 -9.826 13.504 11.595 37 2HG GLU 6 2HG GLU 6 -10.433 15.089 12.032 38 H ALA 7 H ALA 7 -13.469 12.900 10.789 39 HA ALA 7 HA ALA 7 -14.943 10.734 11.764 40 1HB ALA 7 1HB ALA 7 -14.850 10.131 9.211 41 2HB ALA 7 2HB ALA 7 -15.667 11.626 9.727 42 3HB ALA 7 3HB ALA 7 -14.020 11.698 9.056 43 H LYS 8 H LYS 8 -14.603 8.400 11.207 44 HA LYS 8 HA LYS 8 -12.266 7.442 12.254 45 1HB LYS 8 1HB LYS 8 -14.546 6.299 11.770 46 2HB LYS 8 2HB LYS 8 -13.859 5.904 10.207 47 1HG LYS 8 1HG LYS 8 -12.853 4.120 11.183 48 2HG LYS 8 2HG LYS 8 -11.810 5.244 12.031 49 1HD LYS 8 1HD LYS 8 -12.890 4.935 14.025 50 2HD LYS 8 2HD LYS 8 -14.477 5.005 13.287 51 1HE LYS 8 1HE LYS 8 -14.469 2.688 12.735 52 2HE LYS 8 2HE LYS 8 -12.725 2.564 12.858 53 1HZ LYS 8 1HZ LYS 8 -14.693 2.673 14.993 54 2HZ LYS 8 2HZ LYS 8 -13.411 1.677 14.819 55 3HZ LYS 8 3HZ LYS 8 -13.185 3.223 15.293 56 H GLY 9 H GLY 9 -13.138 7.874 8.762 57 1HA GLY 9 1HA GLY 9 -10.853 6.863 7.610 58 2HA GLY 9 2HA GLY 9 -11.833 8.158 6.953 59 HA PRO 10 HA PRO 10 -10.496 8.395 5.551 60 1HB PRO 10 1HB PRO 10 -8.209 8.588 4.068 61 2HB PRO 10 2HB PRO 10 -9.378 9.887 4.200 62 1HG PRO 10 1HG PRO 10 -6.726 9.643 5.483 63 2HG PRO 10 2HG PRO 10 -7.708 11.077 5.255 64 1HD PRO 10 1HD PRO 10 -7.368 9.599 7.690 65 2HD PRO 10 2HD PRO 10 -8.438 10.963 7.432 66 H VAL 11 H VAL 11 -10.065 6.530 4.084 67 HA VAL 11 HA VAL 11 -8.284 4.627 5.403 68 HB VAL 11 HB VAL 11 -11.241 4.398 5.006 69 1HG1 VAL 11 1HG1 VAL 11 -9.226 2.214 4.606 70 2HG1 VAL 11 2HG1 VAL 11 -10.755 1.834 5.435 71 3HG1 VAL 11 3HG1 VAL 11 -10.778 2.501 3.785 72 1HG2 VAL 11 1HG2 VAL 11 -9.818 4.825 7.220 73 2HG2 VAL 11 2HG2 VAL 11 -11.301 3.840 7.226 74 3HG2 VAL 11 3HG2 VAL 11 -9.707 3.048 7.188 75 H LYS 12 H LYS 12 -7.140 3.367 3.965 76 HA LYS 12 HA LYS 12 -8.028 3.464 1.174 77 1HB LYS 12 1HB LYS 12 -5.258 4.079 2.234 78 2HB LYS 12 2HB LYS 12 -5.578 3.681 0.559 79 1HG LYS 12 1HG LYS 12 -5.864 5.951 0.348 80 2HG LYS 12 2HG LYS 12 -7.485 5.595 0.911 81 1HD LYS 12 1HD LYS 12 -7.147 6.819 2.788 82 2HD LYS 12 2HD LYS 12 -5.773 5.825 3.227 83 1HE LYS 12 1HE LYS 12 -4.448 7.628 2.836 84 2HE LYS 12 2HE LYS 12 -4.790 7.432 1.129 85 1HZ LYS 12 1HZ LYS 12 -5.611 9.477 2.804 86 2HZ LYS 12 2HZ LYS 12 -5.905 9.309 1.207 87 3HZ LYS 12 3HZ LYS 12 -6.957 8.703 2.299 88 H HIS 13 H HIS 13 -7.956 1.514 0.123 89 HA HIS 13 HA HIS 13 -6.996 -0.707 1.747 90 1HB HIS 13 1HB HIS 13 -9.334 -0.789 1.062 91 2HB HIS 13 2HB HIS 13 -8.883 -0.614 -0.622 92 HD1 HIS 13 HD1 HIS 13 -9.607 -3.141 1.886 93 HD2 HIS 13 HD2 HIS 13 -7.227 -2.933 -1.561 94 HE1 HIS 13 HE1 HIS 13 -9.111 -5.552 1.213 95 HE2 HIS 13 HE2 HIS 13 -7.692 -5.360 -0.942 96 H VAL 14 H VAL 14 -5.468 -2.207 0.968 97 HA VAL 14 HA VAL 14 -3.993 -1.236 -1.370 98 HB VAL 14 HB VAL 14 -3.203 -2.917 1.012 99 1HG1 VAL 14 1HG1 VAL 14 -0.954 -2.124 -0.592 100 2HG1 VAL 14 2HG1 VAL 14 -1.479 -3.759 -0.123 101 3HG1 VAL 14 3HG1 VAL 14 -2.114 -3.011 -1.609 102 1HG2 VAL 14 1HG2 VAL 14 -3.426 -0.402 1.264 103 2HG2 VAL 14 2HG2 VAL 14 -1.829 -1.083 1.657 104 3HG2 VAL 14 3HG2 VAL 14 -2.084 -0.251 0.104 105 H LEU 15 H LEU 15 -4.328 -2.304 -3.243 106 HA LEU 15 HA LEU 15 -4.788 -5.189 -3.060 107 1HB LEU 15 1HB LEU 15 -6.892 -3.661 -3.388 108 2HB LEU 15 2HB LEU 15 -6.315 -3.542 -5.038 109 HG LEU 15 HG LEU 15 -6.448 -6.301 -3.993 110 1HD1 LEU 15 1HD1 LEU 15 -8.401 -5.490 -2.857 111 2HD1 LEU 15 2HD1 LEU 15 -8.970 -4.655 -4.323 112 3HD1 LEU 15 3HD1 LEU 15 -8.920 -6.434 -4.274 113 1HD2 LEU 15 1HD2 LEU 15 -7.234 -4.874 -6.535 114 2HD2 LEU 15 2HD2 LEU 15 -5.930 -6.056 -6.275 115 3HD2 LEU 15 3HD2 LEU 15 -7.630 -6.583 -6.234 116 H LEU 16 H LEU 16 -3.580 -6.370 -4.488 117 HA LEU 16 HA LEU 16 -2.326 -4.882 -6.678 118 1HB LEU 16 1HB LEU 16 -0.195 -5.735 -6.219 119 2HB LEU 16 2HB LEU 16 -0.798 -5.074 -4.712 120 HG LEU 16 HG LEU 16 -1.534 -7.795 -4.676 121 1HD1 LEU 16 1HD1 LEU 16 0.055 -8.139 -6.545 122 2HD1 LEU 16 2HD1 LEU 16 1.363 -7.508 -5.516 123 3HD1 LEU 16 3HD1 LEU 16 0.517 -9.007 -5.061 124 1HD2 LEU 16 1HD2 LEU 16 -0.359 -7.855 -2.685 125 2HD2 LEU 16 2HD2 LEU 16 0.908 -6.751 -3.272 126 3HD2 LEU 16 3HD2 LEU 16 -0.705 -6.118 -2.867 127 H ALA 17 H ALA 17 -1.983 -6.093 -8.587 128 HA ALA 17 HA ALA 17 -2.543 -8.900 -8.599 129 1HB ALA 17 1HB ALA 17 -4.832 -7.844 -8.497 130 2HB ALA 17 2HB ALA 17 -4.469 -7.038 -10.043 131 3HB ALA 17 3HB ALA 17 -4.541 -8.815 -9.961 132 H SER 18 H SER 18 -1.895 -9.875 -10.604 133 HA SER 18 HA SER 18 -0.537 -7.974 -12.353 134 1HB SER 18 1HB SER 18 0.837 -10.293 -12.793 135 2HB SER 18 2HB SER 18 1.331 -9.074 -11.635 136 HG SER 18 HG SER 18 0.874 -10.398 -10.006 137 H PHE 19 H PHE 19 -0.675 -8.374 -14.638 138 HA PHE 19 HA PHE 19 -2.943 -10.030 -15.343 139 1HB PHE 19 1HB PHE 19 -1.147 -7.928 -16.658 140 2HB PHE 19 2HB PHE 19 -2.247 -8.869 -17.646 141 HD1 PHE 19 HD1 PHE 19 -1.943 -6.155 -15.270 142 HD2 PHE 19 HD2 PHE 19 -4.699 -8.658 -17.308 143 HE1 PHE 19 HE1 PHE 19 -3.797 -4.549 -14.737 144 HE2 PHE 19 HE2 PHE 19 -6.552 -7.052 -16.774 145 HZ PHE 19 HZ PHE 19 -6.080 -5.017 -15.494 146 H LYS 20 H LYS 20 -2.631 -12.137 -15.876 147 HA LYS 20 HA LYS 20 -0.024 -12.864 -16.982 148 1HB LYS 20 1HB LYS 20 -1.216 -13.954 -14.882 149 2HB LYS 20 2HB LYS 20 -2.070 -14.872 -16.106 150 1HG LYS 20 1HG LYS 20 0.683 -14.858 -16.893 151 2HG LYS 20 2HG LYS 20 0.667 -15.187 -15.171 152 1HD LYS 20 1HD LYS 20 -1.401 -16.676 -16.711 153 2HD LYS 20 2HD LYS 20 0.246 -17.082 -17.149 154 1HE LYS 20 1HE LYS 20 0.716 -17.350 -14.622 155 2HE LYS 20 2HE LYS 20 -1.015 -17.238 -14.377 156 1HZ LYS 20 1HZ LYS 20 -1.168 -19.343 -14.939 157 2HZ LYS 20 2HZ LYS 20 -0.542 -19.055 -16.419 158 3HZ LYS 20 3HZ LYS 20 0.444 -19.445 -15.177 159 H ASP 21 H ASP 21 -0.564 -15.116 -18.425 160 HA ASP 21 HA ASP 21 -1.452 -15.936 -20.248 161 1HB ASP 21 1HB ASP 21 -3.655 -14.701 -19.277 162 2HB ASP 21 2HB ASP 21 -3.400 -13.677 -20.676 163 H GLY 22 H GLY 22 -1.682 -15.255 -22.716 164 1HA GLY 22 1HA GLY 22 0.387 -13.295 -23.262 165 2HA GLY 22 2HA GLY 22 -0.373 -14.399 -24.391 166 H VAL 23 H VAL 23 -2.250 -12.338 -22.150 167 HA VAL 23 HA VAL 23 -3.673 -11.224 -24.359 168 HB VAL 23 HB VAL 23 -4.436 -11.879 -21.950 169 1HG1 VAL 23 1HG1 VAL 23 -4.528 -10.014 -20.378 170 2HG1 VAL 23 2HG1 VAL 23 -2.838 -10.398 -20.782 171 3HG1 VAL 23 3HG1 VAL 23 -3.629 -8.983 -21.516 172 1HG2 VAL 23 1HG2 VAL 23 -6.374 -10.514 -22.193 173 2HG2 VAL 23 2HG2 VAL 23 -5.477 -9.280 -23.109 174 3HG2 VAL 23 3HG2 VAL 23 -5.796 -10.872 -23.838 175 H SER 24 H SER 24 -3.003 -9.535 -25.567 176 HA SER 24 HA SER 24 -0.743 -8.187 -25.288 177 1HB SER 24 1HB SER 24 -3.373 -7.581 -26.551 178 2HB SER 24 2HB SER 24 -2.332 -6.191 -26.321 179 HG SER 24 HG SER 24 -1.948 -8.497 -27.955 180 HA PRO 25 HA PRO 25 -1.142 -5.369 -21.998 181 1HB PRO 25 1HB PRO 25 0.429 -3.273 -22.779 182 2HB PRO 25 2HB PRO 25 1.076 -4.760 -22.115 183 1HG PRO 25 1HG PRO 25 1.066 -3.835 -24.922 184 2HG PRO 25 2HG PRO 25 2.054 -5.077 -24.179 185 1HD PRO 25 1HD PRO 25 -0.230 -5.483 -25.867 186 2HD PRO 25 2HD PRO 25 0.688 -6.719 -25.030 187 H GLU 26 H GLU 26 -1.819 -4.055 -25.150 188 HA GLU 26 HA GLU 26 -2.974 -1.712 -24.318 189 1HB GLU 26 1HB GLU 26 -2.522 -2.934 -26.732 190 2HB GLU 26 2HB GLU 26 -4.265 -3.090 -26.629 191 1HG GLU 26 1HG GLU 26 -4.369 -0.590 -26.087 192 2HG GLU 26 2HG GLU 26 -2.653 -0.505 -26.434 193 H LYS 27 H LYS 27 -4.137 -5.041 -24.147 194 HA LYS 27 HA LYS 27 -6.885 -4.365 -23.864 195 1HB LYS 27 1HB LYS 27 -6.092 -6.545 -24.712 196 2HB LYS 27 2HB LYS 27 -5.385 -6.902 -23.149 197 1HG LYS 27 1HG LYS 27 -7.391 -7.810 -22.585 198 2HG LYS 27 2HG LYS 27 -7.996 -6.170 -22.475 199 1HD LYS 27 1HD LYS 27 -8.850 -6.215 -24.729 200 2HD LYS 27 2HD LYS 27 -7.939 -7.657 -25.130 201 1HE LYS 27 1HE LYS 27 -10.038 -7.691 -22.926 202 2HE LYS 27 2HE LYS 27 -10.487 -7.916 -24.604 203 1HZ LYS 27 1HZ LYS 27 -9.695 -9.962 -24.555 204 2HZ LYS 27 2HZ LYS 27 -8.271 -9.519 -23.889 205 3HZ LYS 27 3HZ LYS 27 -9.558 -9.828 -22.933 206 H ILE 28 H ILE 28 -4.061 -4.612 -21.727 207 HA ILE 28 HA ILE 28 -5.478 -4.815 -19.315 208 HB ILE 28 HB ILE 28 -2.731 -3.757 -19.977 209 1HG1 ILE 28 1HG1 ILE 28 -3.649 -6.436 -18.891 210 2HG1 ILE 28 2HG1 ILE 28 -3.125 -6.127 -20.534 211 1HG2 ILE 28 1HG2 ILE 28 -2.960 -4.673 -17.273 212 2HG2 ILE 28 2HG2 ILE 28 -2.472 -3.075 -17.885 213 3HG2 ILE 28 3HG2 ILE 28 -4.190 -3.421 -17.572 214 1HD1 ILE 28 1HD1 ILE 28 -1.026 -6.619 -19.823 215 2HD1 ILE 28 2HD1 ILE 28 -1.047 -5.049 -18.985 216 3HD1 ILE 28 3HD1 ILE 28 -1.512 -6.530 -18.113 217 H GLU 29 H GLU 29 -4.514 -2.060 -21.394 218 HA GLU 29 HA GLU 29 -5.146 -0.102 -19.510 219 1HB GLU 29 1HB GLU 29 -4.066 -0.199 -22.110 220 2HB GLU 29 2HB GLU 29 -5.537 0.736 -22.296 221 1HG GLU 29 1HG GLU 29 -4.129 1.549 -19.866 222 2HG GLU 29 2HG GLU 29 -3.049 1.629 -21.243 223 H GLU 30 H GLU 30 -7.018 -1.710 -22.141 224 HA GLU 30 HA GLU 30 -9.229 -0.116 -22.080 225 1HB GLU 30 1HB GLU 30 -8.877 -3.081 -22.646 226 2HB GLU 30 2HB GLU 30 -10.437 -2.301 -22.811 227 1HG GLU 30 1HG GLU 30 -9.303 -0.582 -24.345 228 2HG GLU 30 2HG GLU 30 -7.873 -1.593 -24.304 229 H LEU 31 H LEU 31 -8.370 -2.938 -19.999 230 HA LEU 31 HA LEU 31 -10.824 -3.016 -18.635 231 1HB LEU 31 1HB LEU 31 -8.144 -4.217 -18.398 232 2HB LEU 31 2HB LEU 31 -9.025 -4.077 -16.890 233 HG LEU 31 HG LEU 31 -9.441 -6.244 -17.794 234 1HD1 LEU 31 1HD1 LEU 31 -11.719 -6.330 -17.564 235 2HD1 LEU 31 2HD1 LEU 31 -11.387 -4.715 -16.891 236 3HD1 LEU 31 3HD1 LEU 31 -11.991 -4.878 -18.558 237 1HD2 LEU 31 1HD2 LEU 31 -10.389 -6.640 -20.011 238 2HD2 LEU 31 2HD2 LEU 31 -10.333 -4.895 -20.357 239 3HD2 LEU 31 3HD2 LEU 31 -8.821 -5.803 -20.118 240 H ILE 32 H ILE 32 -7.849 -1.089 -18.277 241 HA ILE 32 HA ILE 32 -8.562 -0.123 -15.689 242 HB ILE 32 HB ILE 32 -6.493 0.670 -17.730 243 1HG1 ILE 32 1HG1 ILE 32 -6.213 -1.513 -16.578 244 2HG1 ILE 32 2HG1 ILE 32 -4.923 -0.373 -16.249 245 1HG2 ILE 32 1HG2 ILE 32 -5.702 1.818 -15.355 246 2HG2 ILE 32 2HG2 ILE 32 -6.419 2.671 -16.743 247 3HG2 ILE 32 3HG2 ILE 32 -7.451 2.147 -15.391 248 1HD1 ILE 32 1HD1 ILE 32 -7.025 0.014 -14.290 249 2HD1 ILE 32 2HD1 ILE 32 -6.588 -1.710 -14.358 250 3HD1 ILE 32 3HD1 ILE 32 -5.337 -0.488 -14.028 251 H LYS 33 H LYS 33 -8.586 1.254 -19.047 252 HA LYS 33 HA LYS 33 -9.664 3.703 -18.380 253 1HB LYS 33 1HB LYS 33 -9.609 4.047 -20.595 254 2HB LYS 33 2HB LYS 33 -8.805 2.493 -20.665 255 1HG LYS 33 1HG LYS 33 -11.216 1.473 -20.786 256 2HG LYS 33 2HG LYS 33 -11.743 3.103 -21.155 257 1HD LYS 33 1HD LYS 33 -9.390 2.235 -22.744 258 2HD LYS 33 2HD LYS 33 -10.814 1.252 -23.016 259 1HE LYS 33 1HE LYS 33 -11.976 3.717 -23.105 260 2HE LYS 33 2HE LYS 33 -10.363 4.156 -23.631 261 1HZ LYS 33 1HZ LYS 33 -10.727 2.051 -25.118 262 2HZ LYS 33 2HZ LYS 33 -12.299 2.452 -24.931 263 3HZ LYS 33 3HZ LYS 33 -11.254 3.525 -25.581 264 H GLY 34 H GLY 34 -11.173 0.497 -18.674 265 1HA GLY 34 1HA GLY 34 -13.864 1.486 -18.726 266 2HA GLY 34 2HA GLY 34 -13.332 -0.168 -18.494 267 H TYR 35 H TYR 35 -11.769 -0.148 -16.236 268 HA TYR 35 HA TYR 35 -13.449 -0.324 -14.162 269 1HB TYR 35 1HB TYR 35 -10.575 0.107 -14.708 270 2HB TYR 35 2HB TYR 35 -11.009 0.869 -13.191 271 HD1 TYR 35 HD1 TYR 35 -11.713 -2.386 -14.941 272 HD2 TYR 35 HD2 TYR 35 -10.672 -0.408 -11.293 273 HE1 TYR 35 HE1 TYR 35 -11.553 -4.632 -13.760 274 HE2 TYR 35 HE2 TYR 35 -10.517 -2.661 -10.125 275 HH TYR 35 HH TYR 35 -10.784 -5.656 -11.941 276 H ALA 36 H ALA 36 -11.657 2.682 -15.119 277 HA ALA 36 HA ALA 36 -12.600 4.253 -13.023 278 1HB ALA 36 1HB ALA 36 -11.549 4.802 -15.808 279 2HB ALA 36 2HB ALA 36 -12.066 6.127 -14.737 280 3HB ALA 36 3HB ALA 36 -10.742 5.046 -14.241 281 H ASN 37 H ASN 37 -13.920 3.561 -16.311 282 HA ASN 37 HA ASN 37 -15.996 5.390 -16.135 283 1HB ASN 37 1HB ASN 37 -15.336 2.978 -17.804 284 2HB ASN 37 2HB ASN 37 -17.022 3.457 -17.795 285 1HD2 ASN 37 1HD2 ASN 37 -17.306 5.945 -17.929 286 2HD2 ASN 37 2HD2 ASN 37 -16.425 6.741 -19.190 287 H LEU 38 H LEU 38 -15.597 1.934 -15.191 288 HA LEU 38 HA LEU 38 -18.317 1.483 -14.588 289 1HB LEU 38 1HB LEU 38 -16.538 -0.217 -15.117 290 2HB LEU 38 2HB LEU 38 -15.902 0.036 -13.504 291 HG LEU 38 HG LEU 38 -18.609 -0.474 -13.070 292 1HD1 LEU 38 1HD1 LEU 38 -17.964 -2.842 -14.639 293 2HD1 LEU 38 2HD1 LEU 38 -19.455 -1.871 -14.583 294 3HD1 LEU 38 3HD1 LEU 38 -18.114 -1.381 -15.646 295 1HD2 LEU 38 1HD2 LEU 38 -16.256 -1.314 -12.067 296 2HD2 LEU 38 2HD2 LEU 38 -17.817 -2.087 -11.701 297 3HD2 LEU 38 3HD2 LEU 38 -16.750 -2.781 -12.945 298 H VAL 39 H VAL 39 -15.450 2.542 -12.675 299 HA VAL 39 HA VAL 39 -16.721 2.490 -10.190 300 HB VAL 39 HB VAL 39 -14.436 4.161 -11.254 301 1HG1 VAL 39 1HG1 VAL 39 -14.138 5.105 -9.237 302 2HG1 VAL 39 2HG1 VAL 39 -15.823 4.632 -8.915 303 3HG1 VAL 39 3HG1 VAL 39 -14.487 3.589 -8.373 304 1HG2 VAL 39 1HG2 VAL 39 -13.726 2.053 -9.400 305 2HG2 VAL 39 2HG2 VAL 39 -14.633 1.394 -10.783 306 3HG2 VAL 39 3HG2 VAL 39 -13.154 2.345 -11.060 307 H ASN 40 H ASN 40 -16.754 4.814 -12.887 308 HA ASN 40 HA ASN 40 -17.741 6.962 -11.428 309 1HB ASN 40 1HB ASN 40 -16.864 7.423 -13.617 310 2HB ASN 40 2HB ASN 40 -17.824 6.162 -14.365 311 1HD2 ASN 40 1HD2 ASN 40 -18.706 8.704 -12.043 312 2HD2 ASN 40 2HD2 ASN 40 -19.907 9.488 -13.015 313 H LEU 41 H LEU 41 -19.160 4.011 -12.782 314 HA LEU 41 HA LEU 41 -21.858 5.014 -12.678 315 1HB LEU 41 1HB LEU 41 -20.647 2.326 -13.314 316 2HB LEU 41 2HB LEU 41 -22.376 2.605 -13.251 317 HG LEU 41 HG LEU 41 -20.898 4.498 -14.970 318 1HD1 LEU 41 1HD1 LEU 41 -21.128 2.366 -16.706 319 2HD1 LEU 41 2HD1 LEU 41 -19.618 2.988 -15.999 320 3HD1 LEU 41 3HD1 LEU 41 -20.461 1.619 -15.235 321 1HD2 LEU 41 1HD2 LEU 41 -22.853 3.456 -16.502 322 2HD2 LEU 41 2HD2 LEU 41 -23.508 3.095 -14.886 323 3HD2 LEU 41 3HD2 LEU 41 -23.110 4.772 -15.331 324 H ILE 42 H ILE 42 -19.936 2.444 -10.968 325 HA ILE 42 HA ILE 42 -21.753 1.653 -9.146 326 HB ILE 42 HB ILE 42 -18.805 2.157 -8.731 327 1HG1 ILE 42 1HG1 ILE 42 -18.945 0.701 -10.541 328 2HG1 ILE 42 2HG1 ILE 42 -18.761 -0.374 -9.169 329 1HG2 ILE 42 1HG2 ILE 42 -18.875 0.664 -6.878 330 2HG2 ILE 42 2HG2 ILE 42 -20.132 1.896 -6.612 331 3HG2 ILE 42 3HG2 ILE 42 -20.586 0.270 -7.175 332 1HD1 ILE 42 1HD1 ILE 42 -21.218 0.174 -10.836 333 2HD1 ILE 42 2HD1 ILE 42 -20.547 -1.383 -10.294 334 3HD1 ILE 42 3HD1 ILE 42 -21.420 -0.341 -9.144 335 H GLU 43 H GLU 43 -23.135 2.776 -7.891 336 HA GLU 43 HA GLU 43 -22.793 5.459 -7.340 337 1HB GLU 43 1HB GLU 43 -24.727 3.369 -6.782 338 2HB GLU 43 2HB GLU 43 -24.494 4.334 -5.337 339 1HG GLU 43 1HG GLU 43 -24.609 6.287 -7.316 340 2HG GLU 43 2HG GLU 43 -25.729 5.087 -7.930 341 HA PRO 44 HA PRO 44 -21.266 4.040 -3.079 342 1HB PRO 44 1HB PRO 44 -20.728 1.400 -2.621 343 2HB PRO 44 2HB PRO 44 -22.249 2.156 -2.191 344 1HG PRO 44 1HG PRO 44 -21.660 0.328 -4.437 345 2HG PRO 44 2HG PRO 44 -23.213 0.749 -3.743 346 1HD PRO 44 1HD PRO 44 -22.110 1.729 -6.203 347 2HD PRO 44 2HD PRO 44 -23.609 2.236 -5.451 348 H MET 45 H MET 45 -19.470 5.245 -3.494 349 HA MET 45 HA MET 45 -17.094 3.826 -3.476 350 1HB MET 45 1HB MET 45 -17.992 3.539 -5.947 351 2HB MET 45 2HB MET 45 -17.562 5.225 -6.151 352 1HG MET 45 1HG MET 45 -15.557 4.248 -6.814 353 2HG MET 45 2HG MET 45 -15.226 4.424 -5.103 354 1HE MET 45 1HE MET 45 -13.552 1.154 -5.966 355 2HE MET 45 2HE MET 45 -14.274 1.644 -7.518 356 3HE MET 45 3HE MET 45 -13.556 2.869 -6.443 357 H LYS 46 H LYS 46 -16.192 5.245 -2.022 358 HA LYS 46 HA LYS 46 -16.730 7.965 -1.945 359 1HB LYS 46 1HB LYS 46 -14.405 6.354 -0.859 360 2HB LYS 46 2HB LYS 46 -14.683 8.041 -0.479 361 1HG LYS 46 1HG LYS 46 -16.859 5.952 -0.074 362 2HG LYS 46 2HG LYS 46 -15.646 6.252 1.154 363 1HD LYS 46 1HD LYS 46 -16.549 8.282 1.745 364 2HD LYS 46 2HD LYS 46 -16.903 8.725 0.086 365 1HE LYS 46 1HE LYS 46 -19.069 8.436 0.909 366 2HE LYS 46 2HE LYS 46 -18.764 6.832 0.271 367 1HZ LYS 46 1HZ LYS 46 -19.450 6.382 2.372 368 2HZ LYS 46 2HZ LYS 46 -17.839 6.440 2.633 369 3HZ LYS 46 3HZ LYS 46 -18.779 7.713 3.038 370 H ALA 47 H ALA 47 -13.847 6.214 -3.293 371 HA ALA 47 HA ALA 47 -13.674 7.949 -5.497 372 1HB ALA 47 1HB ALA 47 -12.721 9.712 -4.417 373 2HB ALA 47 2HB ALA 47 -12.240 8.725 -3.016 374 3HB ALA 47 3HB ALA 47 -11.248 8.715 -4.495 375 H PHE 48 H PHE 48 -11.870 7.325 -6.920 376 HA PHE 48 HA PHE 48 -10.872 4.666 -6.182 377 1HB PHE 48 1HB PHE 48 -12.460 4.902 -8.158 378 2HB PHE 48 2HB PHE 48 -11.360 6.055 -8.886 379 HD1 PHE 48 HD1 PHE 48 -11.085 2.627 -7.408 380 HD2 PHE 48 HD2 PHE 48 -10.130 5.217 -10.632 381 HE1 PHE 48 HE1 PHE 48 -9.878 0.750 -8.559 382 HE2 PHE 48 HE2 PHE 48 -8.924 3.340 -11.782 383 HZ PHE 48 HZ PHE 48 -8.812 1.129 -10.732 384 H HIS 49 H HIS 49 -8.676 4.257 -6.226 385 HA HIS 49 HA HIS 49 -6.989 6.326 -7.398 386 1HB HIS 49 1HB HIS 49 -7.268 5.717 -4.568 387 2HB HIS 49 2HB HIS 49 -5.623 5.452 -5.109 388 HD1 HIS 49 HD1 HIS 49 -7.700 8.043 -3.792 389 HD2 HIS 49 HD2 HIS 49 -4.700 7.900 -6.720 390 HE1 HIS 49 HE1 HIS 49 -6.874 10.439 -4.087 391 HE2 HIS 49 HE2 HIS 49 -4.995 10.280 -5.858 392 H TRP 50 H TRP 50 -4.970 5.551 -8.212 393 HA TRP 50 HA TRP 50 -4.509 2.684 -7.971 394 1HB TRP 50 1HB TRP 50 -4.548 2.209 -10.230 395 2HB TRP 50 2HB TRP 50 -5.982 3.189 -9.992 396 HD1 TRP 50 HD1 TRP 50 -5.863 5.767 -11.000 397 HE1 TRP 50 HE1 TRP 50 -4.489 6.882 -12.957 398 HE3 TRP 50 HE3 TRP 50 -2.355 2.101 -11.329 399 HZ2 TRP 50 HZ2 TRP 50 -2.141 6.122 -14.392 400 HZ3 TRP 50 HZ3 TRP 50 -0.556 2.365 -13.035 401 HH2 TRP 50 HH2 TRP 50 -0.414 4.290 -14.534 402 H GLY 51 H GLY 51 -2.270 2.206 -9.085 403 1HA GLY 51 1HA GLY 51 -0.485 4.436 -9.374 404 2HA GLY 51 2HA GLY 51 -0.276 3.597 -7.850 405 H LYS 52 H LYS 52 1.698 3.714 -9.973 406 HA LYS 52 HA LYS 52 1.666 0.921 -10.879 407 1HB LYS 52 1HB LYS 52 3.090 1.617 -12.714 408 2HB LYS 52 2HB LYS 52 1.615 2.562 -12.704 409 1HG LYS 52 1HG LYS 52 2.709 4.526 -12.196 410 2HG LYS 52 2HG LYS 52 3.836 3.743 -11.107 411 1HD LYS 52 1HD LYS 52 3.962 3.739 -14.158 412 2HD LYS 52 2HD LYS 52 5.048 4.584 -13.072 413 1HE LYS 52 1HE LYS 52 5.392 2.101 -12.069 414 2HE LYS 52 2HE LYS 52 4.881 1.636 -13.679 415 1HZ LYS 52 1HZ LYS 52 6.689 3.660 -14.019 416 2HZ LYS 52 2HZ LYS 52 7.340 2.704 -12.867 417 3HZ LYS 52 3HZ LYS 52 6.928 2.072 -14.315 418 H ASP 53 H ASP 53 3.630 -0.315 -10.681 419 HA ASP 53 HA ASP 53 4.906 0.136 -8.260 420 1HB ASP 53 1HB ASP 53 6.370 -1.755 -8.946 421 2HB ASP 53 2HB ASP 53 4.680 -2.105 -9.247 422 H VAL 54 H VAL 54 6.024 2.168 -8.211 423 HA VAL 54 HA VAL 54 7.760 2.882 -10.387 424 HB VAL 54 HB VAL 54 7.064 4.114 -7.723 425 1HG1 VAL 54 1HG1 VAL 54 9.462 4.564 -8.432 426 2HG1 VAL 54 2HG1 VAL 54 8.792 5.410 -9.847 427 3HG1 VAL 54 3HG1 VAL 54 8.433 5.999 -8.206 428 1HG2 VAL 54 1HG2 VAL 54 5.355 4.992 -8.852 429 2HG2 VAL 54 2HG2 VAL 54 6.507 5.810 -9.935 430 3HG2 VAL 54 3HG2 VAL 54 5.897 4.189 -10.345 431 H SER 55 H SER 55 9.770 2.069 -10.633 432 HA SER 55 HA SER 55 11.557 2.045 -8.484 433 1HB SER 55 1HB SER 55 9.958 -0.225 -8.499 434 2HB SER 55 2HB SER 55 11.347 -0.761 -9.423 435 HG SER 55 HG SER 55 11.123 -0.355 -6.715 436 H ILE 56 H ILE 56 13.395 0.060 -9.492 437 HA ILE 56 HA ILE 56 13.859 1.121 -12.194 438 HB ILE 56 HB ILE 56 16.287 0.737 -11.654 439 1HG1 ILE 56 1HG1 ILE 56 15.305 0.634 -8.788 440 2HG1 ILE 56 2HG1 ILE 56 15.852 -0.764 -9.693 441 1HG2 ILE 56 1HG2 ILE 56 15.739 2.965 -11.752 442 2HG2 ILE 56 2HG2 ILE 56 14.557 2.851 -10.425 443 3HG2 ILE 56 3HG2 ILE 56 16.301 2.831 -10.068 444 1HD1 ILE 56 1HD1 ILE 56 17.471 0.967 -8.203 445 2HD1 ILE 56 2HD1 ILE 56 18.039 -0.224 -9.398 446 3HD1 ILE 56 3HD1 ILE 56 17.762 1.466 -9.887 447 H GLU 57 H GLU 57 12.708 -1.501 -10.584 448 HA GLU 57 HA GLU 57 12.433 -3.591 -11.107 449 1HB GLU 57 1HB GLU 57 13.391 -2.483 -13.713 450 2HB GLU 57 2HB GLU 57 13.466 -4.226 -13.555 451 1HG GLU 57 1HG GLU 57 11.082 -4.354 -13.024 452 2HG GLU 57 2HG GLU 57 10.960 -2.610 -12.905 453 H ASN 58 H ASN 58 13.596 -4.930 -9.791 454 HA ASN 58 HA ASN 58 16.026 -5.967 -10.711 455 1HB ASN 58 1HB ASN 58 16.346 -3.567 -9.290 456 2HB ASN 58 2HB ASN 58 16.578 -4.778 -8.045 457 1HD2 ASN 58 1HD2 ASN 58 17.737 -3.420 -11.022 458 2HD2 ASN 58 2HD2 ASN 58 19.286 -4.194 -11.073 459 H LEU 59 H LEU 59 14.503 -5.096 -7.505 460 HA LEU 59 HA LEU 59 14.243 -7.978 -6.988 461 1HB LEU 59 1HB LEU 59 15.551 -5.883 -5.473 462 2HB LEU 59 2HB LEU 59 14.281 -6.641 -4.532 463 HG LEU 59 HG LEU 59 16.339 -7.761 -4.065 464 1HD1 LEU 59 1HD1 LEU 59 14.823 -9.594 -5.934 465 2HD1 LEU 59 2HD1 LEU 59 15.759 -10.028 -4.484 466 3HD1 LEU 59 3HD1 LEU 59 14.235 -9.122 -4.322 467 1HD2 LEU 59 1HD2 LEU 59 17.130 -9.061 -6.413 468 2HD2 LEU 59 2HD2 LEU 59 16.835 -7.372 -6.891 469 3HD2 LEU 59 3HD2 LEU 59 17.971 -7.738 -5.571 470 H HIS 60 H HIS 60 12.130 -8.047 -7.903 471 HA HIS 60 HA HIS 60 10.161 -6.838 -6.132 472 1HB HIS 60 1HB HIS 60 8.779 -6.127 -8.006 473 2HB HIS 60 2HB HIS 60 10.331 -5.313 -8.018 474 HD1 HIS 60 HD1 HIS 60 8.436 -8.071 -9.831 475 HD2 HIS 60 HD2 HIS 60 11.852 -5.685 -10.314 476 HE1 HIS 60 HE1 HIS 60 9.261 -8.477 -12.211 477 HE2 HIS 60 HE2 HIS 60 11.329 -6.943 -12.467 478 H GLN 61 H GLN 61 8.250 -8.089 -5.876 479 HA GLN 61 HA GLN 61 8.671 -10.834 -6.503 480 1HB GLN 61 1HB GLN 61 7.056 -9.268 -4.644 481 2HB GLN 61 2HB GLN 61 6.070 -10.493 -5.416 482 1HG GLN 61 1HG GLN 61 7.239 -11.257 -3.288 483 2HG GLN 61 2HG GLN 61 7.524 -12.276 -4.685 484 1HE2 GLN 61 1HE2 GLN 61 8.855 -10.001 -2.440 485 2HE2 GLN 61 2HE2 GLN 61 10.525 -10.155 -2.870 486 H GLY 62 H GLY 62 7.013 -8.109 -7.918 487 1HA GLY 62 1HA GLY 62 6.377 -8.451 -10.246 488 2HA GLY 62 2HA GLY 62 5.602 -9.946 -9.761 489 H TYR 63 H TYR 63 5.576 -6.786 -8.008 490 HA TYR 63 HA TYR 63 2.836 -6.905 -7.495 491 1HB TYR 63 1HB TYR 63 5.163 -4.983 -7.401 492 2HB TYR 63 2HB TYR 63 3.587 -4.215 -7.397 493 HD1 TYR 63 HD1 TYR 63 5.959 -6.232 -5.483 494 HD2 TYR 63 HD2 TYR 63 2.011 -4.585 -5.520 495 HE1 TYR 63 HE1 TYR 63 5.758 -6.641 -2.982 496 HE2 TYR 63 HE2 TYR 63 1.823 -4.999 -3.018 497 HH TYR 63 HH TYR 63 2.725 -5.972 -1.285 498 H THR 64 H THR 64 4.732 -5.227 -10.072 499 HA THR 64 HA THR 64 4.108 -4.338 -12.012 500 HB THR 64 HB THR 64 2.503 -5.547 -13.210 501 HG1 THR 64 HG1 THR 64 0.430 -5.503 -12.391 502 1HG2 THR 64 1HG2 THR 64 2.551 -7.771 -12.520 503 2HG2 THR 64 2HG2 THR 64 3.795 -7.141 -11.413 504 3HG2 THR 64 3HG2 THR 64 2.124 -7.360 -10.841 505 H HIS 65 H HIS 65 1.085 -4.347 -9.997 506 HA HIS 65 HA HIS 65 1.261 -1.526 -9.705 507 1HB HIS 65 1HB HIS 65 -1.019 -2.565 -11.404 508 2HB HIS 65 2HB HIS 65 -0.728 -0.904 -10.928 509 HD1 HIS 65 HD1 HIS 65 0.855 -3.639 -13.076 510 HD2 HIS 65 HD2 HIS 65 0.870 0.534 -12.655 511 HE1 HIS 65 HE1 HIS 65 2.189 -2.726 -15.050 512 HE2 HIS 65 HE2 HIS 65 2.117 -0.155 -14.767 513 H ILE 66 H ILE 66 -0.719 -0.701 -8.444 514 HA ILE 66 HA ILE 66 -2.085 -2.867 -7.051 515 HB ILE 66 HB ILE 66 -1.555 -1.940 -4.879 516 1HG1 ILE 66 1HG1 ILE 66 0.694 -0.278 -5.481 517 2HG1 ILE 66 2HG1 ILE 66 -0.679 0.323 -6.387 518 1HG2 ILE 66 1HG2 ILE 66 -0.001 -3.580 -6.321 519 2HG2 ILE 66 2HG2 ILE 66 1.162 -2.263 -6.038 520 3HG2 ILE 66 3HG2 ILE 66 0.390 -3.080 -4.658 521 1HD1 ILE 66 1HD1 ILE 66 -1.462 1.274 -4.490 522 2HD1 ILE 66 2HD1 ILE 66 -1.689 -0.353 -3.807 523 3HD1 ILE 66 3HD1 ILE 66 -0.160 0.518 -3.542 524 H PHE 67 H PHE 67 -4.224 -2.432 -6.841 525 HA PHE 67 HA PHE 67 -5.038 0.301 -7.482 526 1HB PHE 67 1HB PHE 67 -6.482 -2.417 -7.379 527 2HB PHE 67 2HB PHE 67 -7.264 -0.924 -7.857 528 HD1 PHE 67 HD1 PHE 67 -6.136 -3.800 -9.179 529 HD2 PHE 67 HD2 PHE 67 -5.553 0.372 -9.695 530 HE1 PHE 67 HE1 PHE 67 -5.431 -4.192 -11.556 531 HE2 PHE 67 HE2 PHE 67 -4.848 -0.021 -12.071 532 HZ PHE 67 HZ PHE 67 -4.795 -2.298 -12.974 533 H GLU 68 H GLU 68 -5.412 1.578 -5.730 534 HA GLU 68 HA GLU 68 -6.376 0.257 -3.334 535 1HB GLU 68 1HB GLU 68 -5.737 2.394 -2.192 536 2HB GLU 68 2HB GLU 68 -4.389 1.623 -3.004 537 1HG GLU 68 1HG GLU 68 -5.849 3.477 -4.779 538 2HG GLU 68 2HG GLU 68 -5.226 4.279 -3.351 539 H SER 69 H SER 69 -8.394 0.708 -2.431 540 HA SER 69 HA SER 69 -9.954 2.705 -3.876 541 1HB SER 69 1HB SER 69 -10.474 0.142 -4.246 542 2HB SER 69 2HB SER 69 -11.217 0.234 -2.661 543 HG SER 69 HG SER 69 -12.928 0.871 -3.806 544 H THR 70 H THR 70 -10.559 4.351 -2.523 545 HA THR 70 HA THR 70 -10.327 3.977 0.329 546 HB THR 70 HB THR 70 -9.503 6.033 -0.794 547 HG1 THR 70 HG1 THR 70 -10.286 7.012 1.032 548 1HG2 THR 70 1HG2 THR 70 -11.907 7.464 -1.249 549 2HG2 THR 70 2HG2 THR 70 -10.746 6.936 -2.491 550 3HG2 THR 70 3HG2 THR 70 -12.141 5.909 -2.082 551 H PHE 71 H PHE 71 -11.893 3.553 1.768 552 HA PHE 71 HA PHE 71 -14.644 3.727 0.756 553 1HB PHE 71 1HB PHE 71 -13.344 1.760 2.736 554 2HB PHE 71 2HB PHE 71 -15.025 1.710 2.242 555 HD1 PHE 71 HD1 PHE 71 -15.281 1.676 -0.465 556 HD2 PHE 71 HD2 PHE 71 -11.953 0.231 1.736 557 HE1 PHE 71 HE1 PHE 71 -14.674 0.164 -2.374 558 HE2 PHE 71 HE2 PHE 71 -11.346 -1.281 -0.173 559 HZ PHE 71 HZ PHE 71 -12.715 -1.297 -2.206 560 H GLU 72 H GLU 72 -16.241 3.598 2.784 561 HA GLU 72 HA GLU 72 -15.291 4.614 5.199 562 1HB GLU 72 1HB GLU 72 -15.915 6.595 3.113 563 2HB GLU 72 2HB GLU 72 -16.877 6.839 4.558 564 1HG GLU 72 1HG GLU 72 -15.083 7.575 5.755 565 2HG GLU 72 2HG GLU 72 -14.083 6.232 5.237 566 H SER 73 H SER 73 -16.713 2.528 5.247 567 HA SER 73 HA SER 73 -19.086 3.169 6.463 568 1HB SER 73 1HB SER 73 -19.457 3.436 3.748 569 2HB SER 73 2HB SER 73 -19.900 1.755 3.969 570 HG SER 73 HG SER 73 -21.191 4.099 4.873 571 H LYS 74 H LYS 74 -17.094 0.883 4.584 572 HA LYS 74 HA LYS 74 -16.482 -1.202 4.987 573 1HB LYS 74 1HB LYS 74 -16.118 -0.585 7.292 574 2HB LYS 74 2HB LYS 74 -17.822 -0.750 7.667 575 1HG LYS 74 1HG LYS 74 -17.056 -2.825 8.393 576 2HG LYS 74 2HG LYS 74 -17.486 -3.229 6.743 577 1HD LYS 74 1HD LYS 74 -14.948 -2.428 6.277 578 2HD LYS 74 2HD LYS 74 -14.754 -2.867 7.962 579 1HE LYS 74 1HE LYS 74 -15.705 -5.138 7.474 580 2HE LYS 74 2HE LYS 74 -15.879 -4.697 5.787 581 1HZ LYS 74 1HZ LYS 74 -13.787 -5.906 6.533 582 2HZ LYS 74 2HZ LYS 74 -13.615 -4.648 5.506 583 3HZ LYS 74 3HZ LYS 74 -13.281 -4.457 7.093 584 H GLU 75 H GLU 75 -19.827 -0.826 6.371 585 HA GLU 75 HA GLU 75 -20.652 -3.309 5.441 586 1HB GLU 75 1HB GLU 75 -22.175 -0.810 6.275 587 2HB GLU 75 2HB GLU 75 -22.995 -2.293 5.827 588 1HG GLU 75 1HG GLU 75 -21.659 -3.521 7.588 589 2HG GLU 75 2HG GLU 75 -20.942 -1.997 8.070 590 H ALA 76 H ALA 76 -20.443 -0.108 3.930 591 HA ALA 76 HA ALA 76 -22.220 -0.704 1.788 592 1HB ALA 76 1HB ALA 76 -20.028 1.397 2.022 593 2HB ALA 76 2HB ALA 76 -21.389 1.405 0.875 594 3HB ALA 76 3HB ALA 76 -21.694 1.589 2.619 595 H VAL 77 H VAL 77 -18.682 -0.935 2.384 596 HA VAL 77 HA VAL 77 -17.809 -1.384 -0.170 597 HB VAL 77 HB VAL 77 -16.949 -2.302 2.549 598 1HG1 VAL 77 1HG1 VAL 77 -16.007 -4.130 1.604 599 2HG1 VAL 77 2HG1 VAL 77 -16.096 -3.460 -0.042 600 3HG1 VAL 77 3HG1 VAL 77 -14.781 -2.966 1.051 601 1HG2 VAL 77 1HG2 VAL 77 -14.888 -0.962 1.193 602 2HG2 VAL 77 2HG2 VAL 77 -16.380 -0.103 0.742 603 3HG2 VAL 77 3HG2 VAL 77 -15.953 -0.305 2.458 604 H ALA 78 H ALA 78 -19.626 -3.521 2.028 605 HA ALA 78 HA ALA 78 -19.157 -5.904 0.604 606 1HB ALA 78 1HB ALA 78 -20.687 -6.833 2.099 607 2HB ALA 78 2HB ALA 78 -20.116 -5.413 3.009 608 3HB ALA 78 3HB ALA 78 -21.681 -5.357 2.161 609 H GLU 79 H GLU 79 -21.651 -3.308 0.406 610 HA GLU 79 HA GLU 79 -23.272 -4.633 -1.409 611 1HB GLU 79 1HB GLU 79 -23.113 -2.030 -0.168 612 2HB GLU 79 2HB GLU 79 -23.412 -1.803 -1.880 613 1HG GLU 79 1HG GLU 79 -25.591 -2.305 -1.503 614 2HG GLU 79 2HG GLU 79 -25.103 -3.952 -1.157 615 H TYR 80 H TYR 80 -20.402 -2.507 -1.812 616 HA TYR 80 HA TYR 80 -20.645 -2.310 -4.631 617 1HB TYR 80 1HB TYR 80 -19.353 -0.661 -3.398 618 2HB TYR 80 2HB TYR 80 -18.554 -1.890 -2.439 619 HD1 TYR 80 HD1 TYR 80 -18.914 -1.561 -6.158 620 HD2 TYR 80 HD2 TYR 80 -16.264 -1.651 -2.801 621 HE1 TYR 80 HE1 TYR 80 -16.914 -1.490 -7.726 622 HE2 TYR 80 HE2 TYR 80 -14.273 -1.580 -4.380 623 HH TYR 80 HH TYR 80 -14.059 -2.408 -7.044 624 H ILE 81 H ILE 81 -18.902 -4.503 -2.368 625 HA ILE 81 HA ILE 81 -17.452 -5.788 -4.444 626 HB ILE 81 HB ILE 81 -17.182 -5.596 -1.773 627 1HG1 ILE 81 1HG1 ILE 81 -15.954 -8.055 -2.797 628 2HG1 ILE 81 2HG1 ILE 81 -15.791 -6.702 -3.899 629 1HG2 ILE 81 1HG2 ILE 81 -17.500 -7.864 -0.809 630 2HG2 ILE 81 2HG2 ILE 81 -19.025 -7.037 -1.209 631 3HG2 ILE 81 3HG2 ILE 81 -18.404 -8.323 -2.272 632 1HD1 ILE 81 1HD1 ILE 81 -13.967 -6.237 -2.571 633 2HD1 ILE 81 2HD1 ILE 81 -15.195 -5.423 -1.573 634 3HD1 ILE 81 3HD1 ILE 81 -14.657 -7.068 -1.156 635 H ALA 82 H ALA 82 -20.732 -5.882 -3.345 636 HA ALA 82 HA ALA 82 -21.100 -8.551 -4.491 637 1HB ALA 82 1HB ALA 82 -22.738 -6.791 -2.640 638 2HB ALA 82 2HB ALA 82 -23.420 -8.232 -3.431 639 3HB ALA 82 3HB ALA 82 -22.044 -8.398 -2.314 640 H HIS 83 H HIS 83 -20.434 -6.237 -6.164 641 HA HIS 83 HA HIS 83 -23.010 -5.697 -7.422 642 1HB HIS 83 1HB HIS 83 -21.046 -3.969 -6.740 643 2HB HIS 83 2HB HIS 83 -20.530 -4.358 -8.369 644 HD1 HIS 83 HD1 HIS 83 -21.723 -3.192 -10.268 645 HD2 HIS 83 HD2 HIS 83 -23.783 -2.875 -6.628 646 HE1 HIS 83 HE1 HIS 83 -23.649 -1.568 -10.675 647 HE2 HIS 83 HE2 HIS 83 -24.910 -1.456 -8.419 648 HA PRO 84 HA PRO 84 -21.968 -8.469 -10.586 649 1HB PRO 84 1HB PRO 84 -23.873 -7.795 -12.427 650 2HB PRO 84 2HB PRO 84 -24.187 -8.854 -11.067 651 1HG PRO 84 1HG PRO 84 -24.986 -6.032 -11.442 652 2HG PRO 84 2HG PRO 84 -25.631 -7.216 -10.323 653 1HD PRO 84 1HD PRO 84 -23.833 -5.070 -9.703 654 2HD PRO 84 2HD PRO 84 -24.387 -6.322 -8.609 655 H ALA 85 H ALA 85 -22.199 -5.070 -11.259 656 HA ALA 85 HA ALA 85 -21.034 -5.155 -13.797 657 1HB ALA 85 1HB ALA 85 -22.242 -3.259 -12.389 658 2HB ALA 85 2HB ALA 85 -20.577 -2.865 -11.900 659 3HB ALA 85 3HB ALA 85 -21.028 -2.841 -13.621 660 H HIS 86 H HIS 86 -19.644 -4.934 -10.473 661 HA HIS 86 HA HIS 86 -16.997 -4.637 -11.419 662 1HB HIS 86 1HB HIS 86 -17.335 -3.786 -9.293 663 2HB HIS 86 2HB HIS 86 -18.309 -5.147 -8.774 664 HD1 HIS 86 HD1 HIS 86 -17.009 -7.370 -8.092 665 HD2 HIS 86 HD2 HIS 86 -14.587 -4.027 -8.839 666 HE1 HIS 86 HE1 HIS 86 -14.712 -7.921 -7.127 667 HE2 HIS 86 HE2 HIS 86 -13.253 -5.852 -7.665 668 H VAL 87 H VAL 87 -18.983 -7.411 -10.220 669 HA VAL 87 HA VAL 87 -16.985 -9.322 -10.274 670 HB VAL 87 HB VAL 87 -19.947 -9.250 -10.358 671 1HG1 VAL 87 1HG1 VAL 87 -19.955 -11.803 -10.550 672 2HG1 VAL 87 2HG1 VAL 87 -19.731 -10.880 -12.056 673 3HG1 VAL 87 3HG1 VAL 87 -18.332 -11.644 -11.263 674 1HG2 VAL 87 1HG2 VAL 87 -19.216 -9.378 -8.189 675 2HG2 VAL 87 2HG2 VAL 87 -19.358 -11.115 -8.553 676 3HG2 VAL 87 3HG2 VAL 87 -17.766 -10.320 -8.612 677 H GLU 88 H GLU 88 -19.161 -8.106 -12.882 678 HA GLU 88 HA GLU 88 -18.511 -9.946 -14.788 679 1HB GLU 88 1HB GLU 88 -20.226 -7.955 -14.777 680 2HB GLU 88 2HB GLU 88 -18.915 -7.020 -15.469 681 1HG GLU 88 1HG GLU 88 -19.243 -7.952 -17.511 682 2HG GLU 88 2HG GLU 88 -19.086 -9.569 -16.853 683 H PHE 89 H PHE 89 -16.840 -6.867 -13.898 684 HA PHE 89 HA PHE 89 -14.878 -7.174 -15.938 685 1HB PHE 89 1HB PHE 89 -15.559 -5.404 -13.591 686 2HB PHE 89 2HB PHE 89 -13.864 -5.420 -14.037 687 HD1 PHE 89 HD1 PHE 89 -17.055 -5.397 -15.992 688 HD2 PHE 89 HD2 PHE 89 -13.303 -3.556 -15.255 689 HE1 PHE 89 HE1 PHE 89 -17.517 -3.729 -17.809 690 HE2 PHE 89 HE2 PHE 89 -13.765 -1.888 -17.073 691 HZ PHE 89 HZ PHE 89 -15.866 -1.994 -18.328 692 H ALA 90 H ALA 90 -15.169 -7.991 -12.458 693 HA ALA 90 HA ALA 90 -12.451 -8.530 -12.028 694 1HB ALA 90 1HB ALA 90 -14.271 -10.180 -10.458 695 2HB ALA 90 2HB ALA 90 -13.221 -8.841 -9.937 696 3HB ALA 90 3HB ALA 90 -14.852 -8.501 -10.564 697 H THR 91 H THR 91 -15.231 -10.558 -13.125 698 HA THR 91 HA THR 91 -13.820 -12.985 -13.152 699 HB THR 91 HB THR 91 -16.258 -11.956 -14.694 700 HG1 THR 91 HG1 THR 91 -17.280 -12.889 -12.852 701 1HG2 THR 91 1HG2 THR 91 -15.427 -14.840 -14.096 702 2HG2 THR 91 2HG2 THR 91 -16.855 -14.305 -15.015 703 3HG2 THR 91 3HG2 THR 91 -15.224 -14.076 -15.690 704 H ILE 92 H ILE 92 -14.270 -10.433 -15.655 705 HA ILE 92 HA ILE 92 -13.029 -11.857 -17.710 706 HB ILE 92 HB ILE 92 -13.605 -8.973 -17.153 707 1HG1 ILE 92 1HG1 ILE 92 -14.475 -10.589 -19.536 708 2HG1 ILE 92 2HG1 ILE 92 -15.268 -10.813 -17.989 709 1HG2 ILE 92 1HG2 ILE 92 -11.564 -9.995 -18.994 710 2HG2 ILE 92 2HG2 ILE 92 -12.792 -8.972 -19.777 711 3HG2 ILE 92 3HG2 ILE 92 -11.859 -8.344 -18.398 712 1HD1 ILE 92 1HD1 ILE 92 -15.415 -8.531 -19.867 713 2HD1 ILE 92 2HD1 ILE 92 -16.573 -9.053 -18.620 714 3HD1 ILE 92 3HD1 ILE 92 -15.176 -8.046 -18.171 715 H PHE 93 H PHE 93 -11.722 -9.488 -15.300 716 HA PHE 93 HA PHE 93 -9.136 -9.429 -16.215 717 1HB PHE 93 1HB PHE 93 -10.466 -8.202 -14.270 718 2HB PHE 93 2HB PHE 93 -9.982 -9.559 -13.272 719 HD1 PHE 93 HD1 PHE 93 -9.139 -6.325 -14.193 720 HD2 PHE 93 HD2 PHE 93 -7.349 -10.100 -13.453 721 HE1 PHE 93 HE1 PHE 93 -6.950 -5.193 -13.717 722 HE2 PHE 93 HE2 PHE 93 -5.159 -8.969 -12.977 723 HZ PHE 93 HZ PHE 93 -4.986 -6.529 -13.114 724 H LEU 94 H LEU 94 -10.672 -11.722 -13.866 725 HA LEU 94 HA LEU 94 -8.374 -13.109 -13.199 726 1HB LEU 94 1HB LEU 94 -11.295 -13.792 -13.254 727 2HB LEU 94 2HB LEU 94 -10.108 -15.008 -12.829 728 HG LEU 94 HG LEU 94 -9.977 -12.393 -11.391 729 1HD1 LEU 94 1HD1 LEU 94 -12.434 -13.663 -11.599 730 2HD1 LEU 94 2HD1 LEU 94 -11.776 -14.257 -10.055 731 3HD1 LEU 94 3HD1 LEU 94 -11.937 -12.507 -10.340 732 1HD2 LEU 94 1HD2 LEU 94 -9.700 -14.327 -9.527 733 2HD2 LEU 94 2HD2 LEU 94 -9.150 -15.206 -10.974 734 3HD2 LEU 94 3HD2 LEU 94 -8.356 -13.684 -10.501 735 H GLY 95 H GLY 95 -10.280 -13.075 -16.159 736 1HA GLY 95 1HA GLY 95 -9.640 -15.574 -17.216 737 2HA GLY 95 2HA GLY 95 -10.017 -14.125 -18.127 738 H SER 96 H SER 96 -7.698 -12.626 -16.790 739 HA SER 96 HA SER 96 -5.461 -14.090 -17.880 740 1HB SER 96 1HB SER 96 -6.580 -11.533 -18.990 741 2HB SER 96 2HB SER 96 -4.834 -11.663 -18.903 742 HG SER 96 HG SER 96 -5.787 -14.006 -19.901 743 H LEU 97 H LEU 97 -5.884 -13.846 -15.208 744 HA LEU 97 HA LEU 97 -4.152 -11.603 -14.429 745 1HB LEU 97 1HB LEU 97 -5.535 -11.045 -12.797 746 2HB LEU 97 2HB LEU 97 -6.735 -11.990 -13.656 747 HG LEU 97 HG LEU 97 -6.803 -12.577 -11.335 748 1HD1 LEU 97 1HD1 LEU 97 -7.211 -14.695 -11.850 749 2HD1 LEU 97 2HD1 LEU 97 -6.382 -14.438 -13.404 750 3HD1 LEU 97 3HD1 LEU 97 -5.472 -15.045 -11.999 751 1HD2 LEU 97 1HD2 LEU 97 -3.999 -12.182 -11.423 752 2HD2 LEU 97 2HD2 LEU 97 -5.027 -12.524 -10.011 753 3HD2 LEU 97 3HD2 LEU 97 -4.279 -13.864 -10.912 754 H ASP 98 H ASP 98 -2.389 -12.047 -13.084 755 HA ASP 98 HA ASP 98 -1.617 -14.798 -13.132 756 1HB ASP 98 1HB ASP 98 0.209 -13.421 -13.615 757 2HB ASP 98 2HB ASP 98 -0.319 -12.155 -12.524 758 H LYS 99 H LYS 99 -1.137 -12.300 -10.536 759 HA LYS 99 HA LYS 99 -2.315 -14.202 -8.631 760 1HB LYS 99 1HB LYS 99 0.211 -12.562 -8.428 761 2HB LYS 99 2HB LYS 99 -0.636 -13.109 -6.995 762 1HG LYS 99 1HG LYS 99 -0.093 -15.330 -7.343 763 2HG LYS 99 2HG LYS 99 -0.207 -15.200 -9.087 764 1HD LYS 99 1HD LYS 99 2.120 -15.533 -8.644 765 2HD LYS 99 2HD LYS 99 1.969 -13.827 -9.015 766 1HE LYS 99 1HE LYS 99 2.917 -13.344 -7.012 767 2HE LYS 99 2HE LYS 99 1.513 -14.021 -6.213 768 1HZ LYS 99 1HZ LYS 99 4.080 -15.059 -6.319 769 2HZ LYS 99 2HZ LYS 99 2.782 -15.666 -5.537 770 3HZ LYS 99 3HZ LYS 99 3.097 -16.122 -7.073 771 H VAL 100 H VAL 100 -3.230 -13.137 -6.654 772 HA VAL 100 HA VAL 100 -3.813 -10.327 -6.916 773 HB VAL 100 HB VAL 100 -5.539 -11.010 -8.313 774 1HG1 VAL 100 1HG1 VAL 100 -6.772 -12.989 -8.215 775 2HG1 VAL 100 2HG1 VAL 100 -5.156 -13.500 -7.672 776 3HG1 VAL 100 3HG1 VAL 100 -6.450 -13.225 -6.481 777 1HG2 VAL 100 1HG2 VAL 100 -7.520 -10.454 -7.157 778 2HG2 VAL 100 2HG2 VAL 100 -6.935 -11.164 -5.634 779 3HG2 VAL 100 3HG2 VAL 100 -6.217 -9.654 -6.245 780 H LEU 101 H LEU 101 -3.732 -9.463 -4.904 781 HA LEU 101 HA LEU 101 -4.473 -11.214 -2.677 782 1HB LEU 101 1HB LEU 101 -1.999 -9.485 -2.818 783 2HB LEU 101 2HB LEU 101 -2.568 -10.334 -1.394 784 HG LEU 101 HG LEU 101 -0.803 -11.623 -2.295 785 1HD1 LEU 101 1HD1 LEU 101 -2.834 -13.335 -3.518 786 2HD1 LEU 101 2HD1 LEU 101 -1.818 -13.598 -2.081 787 3HD1 LEU 101 3HD1 LEU 101 -3.330 -12.670 -1.943 788 1HD2 LEU 101 1HD2 LEU 101 -0.219 -11.675 -4.439 789 2HD2 LEU 101 2HD2 LEU 101 -1.816 -12.289 -4.931 790 3HD2 LEU 101 3HD2 LEU 101 -1.551 -10.538 -4.755 791 H VAL 102 H VAL 102 -5.847 -10.268 -1.239 792 HA VAL 102 HA VAL 102 -6.412 -7.436 -1.713 793 HB VAL 102 HB VAL 102 -8.018 -9.616 -0.364 794 1HG1 VAL 102 1HG1 VAL 102 -9.811 -8.063 -0.150 795 2HG1 VAL 102 2HG1 VAL 102 -8.366 -7.259 0.508 796 3HG1 VAL 102 3HG1 VAL 102 -8.958 -6.835 -1.116 797 1HG2 VAL 102 1HG2 VAL 102 -8.833 -10.148 -2.370 798 2HG2 VAL 102 2HG2 VAL 102 -9.237 -8.448 -2.708 799 3HG2 VAL 102 3HG2 VAL 102 -7.619 -9.075 -3.105 800 H ILE 103 H ILE 103 -5.842 -5.922 -0.228 801 HA ILE 103 HA ILE 103 -5.475 -6.780 2.525 802 HB ILE 103 HB ILE 103 -3.318 -5.407 0.918 803 1HG1 ILE 103 1HG1 ILE 103 -3.552 -7.848 0.487 804 2HG1 ILE 103 2HG1 ILE 103 -2.014 -7.394 1.194 805 1HG2 ILE 103 1HG2 ILE 103 -2.790 -4.482 2.886 806 2HG2 ILE 103 2HG2 ILE 103 -3.842 -5.587 3.803 807 3HG2 ILE 103 3HG2 ILE 103 -2.208 -6.106 3.323 808 1HD1 ILE 103 1HD1 ILE 103 -2.373 -8.768 2.955 809 2HD1 ILE 103 2HD1 ILE 103 -3.899 -7.934 3.331 810 3HD1 ILE 103 3HD1 ILE 103 -3.890 -9.298 2.188 811 H ASP 104 H ASP 104 -5.710 -5.054 4.049 812 HA ASP 104 HA ASP 104 -6.781 -2.649 2.791 813 1HB ASP 104 1HB ASP 104 -8.271 -4.336 4.239 814 2HB ASP 104 2HB ASP 104 -7.525 -3.512 5.594 815 H TYR 105 H TYR 105 -5.927 -0.662 3.573 816 HA TYR 105 HA TYR 105 -3.983 -0.903 5.771 817 1HB TYR 105 1HB TYR 105 -3.249 -0.436 3.294 818 2HB TYR 105 2HB TYR 105 -4.113 1.083 3.422 819 HD1 TYR 105 HD1 TYR 105 -3.368 2.752 5.228 820 HD2 TYR 105 HD2 TYR 105 -1.023 -0.633 4.066 821 HE1 TYR 105 HE1 TYR 105 -1.293 3.840 6.216 822 HE2 TYR 105 HE2 TYR 105 1.043 0.467 5.058 823 HH TYR 105 HH TYR 105 1.824 2.137 6.186 824 H LYS 106 H LYS 106 -4.728 0.054 7.595 825 HA LYS 106 HA LYS 106 -6.439 2.414 7.236 826 1HB LYS 106 1HB LYS 106 -6.758 0.019 8.802 827 2HB LYS 106 2HB LYS 106 -6.661 1.399 9.877 828 1HG LYS 106 1HG LYS 106 -8.465 2.547 8.683 829 2HG LYS 106 2HG LYS 106 -8.471 1.331 7.421 830 1HD LYS 106 1HD LYS 106 -9.468 -0.305 8.804 831 2HD LYS 106 2HD LYS 106 -8.917 0.458 10.282 832 1HE LYS 106 1HE LYS 106 -10.779 2.073 8.566 833 2HE LYS 106 2HE LYS 106 -11.473 0.675 9.363 834 1HZ LYS 106 1HZ LYS 106 -11.482 2.794 10.644 835 2HZ LYS 106 2HZ LYS 106 -10.852 1.514 11.439 836 3HZ LYS 106 3HZ LYS 106 -9.863 2.652 10.811 837 HA PRO 107 HA PRO 107 -3.355 4.716 9.191 838 1HB PRO 107 1HB PRO 107 -4.790 6.858 10.097 839 2HB PRO 107 2HB PRO 107 -4.256 6.696 8.436 840 1HG PRO 107 1HG PRO 107 -6.967 6.327 9.555 841 2HG PRO 107 2HG PRO 107 -6.493 6.589 7.888 842 1HD PRO 107 1HD PRO 107 -7.282 4.101 9.077 843 2HD PRO 107 2HD PRO 107 -6.697 4.342 7.443 844 H THR 108 H THR 108 -2.439 3.536 10.806 845 HA THR 108 HA THR 108 -3.676 4.072 13.419 846 HB THR 108 HB THR 108 -2.720 1.424 12.230 847 HG1 THR 108 HG1 THR 108 -4.967 0.963 12.977 848 1HG2 THR 108 1HG2 THR 108 -2.348 0.594 14.326 849 2HG2 THR 108 2HG2 THR 108 -2.417 2.261 14.944 850 3HG2 THR 108 3HG2 THR 108 -3.893 1.267 14.899 851 H SER 109 H SER 109 -1.930 5.874 12.838 852 HA SER 109 HA SER 109 0.726 4.937 13.315 853 1HB SER 109 1HB SER 109 -0.420 7.753 13.053 854 2HB SER 109 2HB SER 109 1.290 7.395 13.194 855 HG SER 109 HG SER 109 -0.064 7.533 10.948 856 H VAL 110 H VAL 110 2.085 5.931 15.120 857 HA VAL 110 HA VAL 110 0.501 5.906 17.561 858 HB VAL 110 HB VAL 110 2.888 5.859 18.543 859 1HG1 VAL 110 1HG1 VAL 110 1.322 3.733 17.195 860 2HG1 VAL 110 2HG1 VAL 110 3.011 3.323 17.581 861 3HG1 VAL 110 3HG1 VAL 110 1.904 3.847 18.873 862 1HG2 VAL 110 1HG2 VAL 110 4.704 5.477 17.207 863 2HG2 VAL 110 2HG2 VAL 110 3.745 4.684 15.935 864 3HG2 VAL 110 3HG2 VAL 110 3.735 6.458 16.080 865 H SER 111 H SER 111 0.515 7.608 19.085 866 HA SER 111 HA SER 111 0.782 10.146 17.915 867 1HB SER 111 1HB SER 111 0.593 10.537 20.687 868 2HB SER 111 2HB SER 111 -0.739 10.494 19.550 869 HG SER 111 HG SER 111 -1.114 8.321 20.003 870 H LEU 112 H LEU 112 2.444 11.672 18.083 871 HA LEU 112 HA LEU 112 4.939 10.673 19.136 872 1HB LEU 112 1HB LEU 112 4.289 13.260 17.718 873 2HB LEU 112 2HB LEU 112 5.892 12.656 18.085 874 HG LEU 112 HG LEU 112 4.092 10.910 16.460 875 1HD1 LEU 112 1HD1 LEU 112 5.363 12.356 14.509 876 2HD1 LEU 112 2HD1 LEU 112 3.659 12.540 14.990 877 3HD1 LEU 112 3HD1 LEU 112 4.898 13.621 15.671 878 1HD2 LEU 112 1HD2 LEU 112 7.060 11.515 16.346 879 2HD2 LEU 112 2HD2 LEU 112 6.300 10.113 17.138 880 3HD2 LEU 112 3HD2 LEU 112 6.196 10.302 15.371 881 1H GLY 1 1H GLY 1 14.661 26.085 6.835 882 1HA GLY 1 1HA GLY 1 13.432 23.878 6.166 883 2HA GLY 1 2HA GLY 1 14.166 23.314 7.654 884 H SER 2 H SER 2 12.438 26.303 6.488 885 HA SER 2 HA SER 2 11.321 26.652 9.084 886 1HB SER 2 1HB SER 2 10.710 28.115 6.478 887 2HB SER 2 2HB SER 2 10.239 28.643 8.081 888 HG SER 2 HG SER 2 12.996 28.204 7.321 889 H HIS 3 H HIS 3 10.222 25.639 5.799 890 HA HIS 3 HA HIS 3 8.059 24.199 7.001 891 1HB HIS 3 1HB HIS 3 7.554 26.830 6.158 892 2HB HIS 3 2HB HIS 3 6.931 25.819 4.870 893 HD1 HIS 3 HD1 HIS 3 5.543 27.495 7.494 894 HD2 HIS 3 HD2 HIS 3 5.539 23.408 6.550 895 HE1 HIS 3 HE1 HIS 3 3.532 26.485 8.698 896 H MET 4 H MET 4 8.688 25.590 3.704 897 HA MET 4 HA MET 4 9.244 24.651 1.819 898 1HB MET 4 1HB MET 4 10.485 22.927 3.801 899 2HB MET 4 2HB MET 4 9.863 21.903 2.522 900 1HG MET 4 1HG MET 4 11.400 22.660 0.992 901 2HG MET 4 2HG MET 4 11.239 24.328 1.506 902 1HE MET 4 1HE MET 4 13.823 21.821 1.067 903 2HE MET 4 2HE MET 4 13.895 23.554 0.668 904 3HE MET 4 3HE MET 4 15.046 22.861 1.836 905 H GLU 5 H GLU 5 7.521 24.335 0.479 906 HA GLU 5 HA GLU 5 5.444 22.561 1.323 907 1HB GLU 5 1HB GLU 5 5.686 24.842 -0.418 908 2HB GLU 5 2HB GLU 5 5.038 23.517 -1.365 909 1HG GLU 5 1HG GLU 5 3.050 23.491 -0.218 910 2HG GLU 5 2HG GLU 5 3.824 23.738 1.335 911 H GLU 6 H GLU 6 4.442 21.177 -0.678 912 HA GLU 6 HA GLU 6 6.695 19.571 -1.573 913 1HB GLU 6 1HB GLU 6 4.860 17.804 -1.931 914 2HB GLU 6 2HB GLU 6 5.224 18.231 -0.271 915 1HG GLU 6 1HG GLU 6 3.136 19.939 -1.524 916 2HG GLU 6 2HG GLU 6 2.689 18.249 -1.397 917 H ALA 7 H ALA 7 7.271 19.695 -3.697 918 HA ALA 7 HA ALA 7 5.316 20.855 -5.538 919 1HB ALA 7 1HB ALA 7 7.300 21.275 -6.956 920 2HB ALA 7 2HB ALA 7 7.500 21.977 -5.333 921 3HB ALA 7 3HB ALA 7 8.329 20.459 -5.755 922 H LYS 8 H LYS 8 5.211 18.043 -4.490 923 HA LYS 8 HA LYS 8 4.681 16.779 -6.931 924 1HB LYS 8 1HB LYS 8 7.411 16.720 -6.303 925 2HB LYS 8 2HB LYS 8 6.817 15.146 -5.815 926 1HG LYS 8 1HG LYS 8 6.218 14.534 -7.979 927 2HG LYS 8 2HG LYS 8 5.835 16.176 -8.458 928 1HD LYS 8 1HD LYS 8 8.697 15.822 -7.795 929 2HD LYS 8 2HD LYS 8 8.175 14.784 -9.107 930 1HE LYS 8 1HE LYS 8 6.963 17.214 -9.757 931 2HE LYS 8 2HE LYS 8 8.479 17.732 -9.048 932 1HZ LYS 8 1HZ LYS 8 8.063 16.026 -11.376 933 2HZ LYS 8 2HZ LYS 8 8.998 17.358 -11.234 934 3HZ LYS 8 3HZ LYS 8 9.473 15.950 -10.554 935 H GLY 9 H GLY 9 5.573 16.476 -3.458 936 1HA GLY 9 1HA GLY 9 4.188 14.067 -2.978 937 2HA GLY 9 2HA GLY 9 4.675 15.261 -1.791 938 HA PRO 10 HA PRO 10 3.537 14.193 -0.536 939 1HB PRO 10 1HB PRO 10 1.581 12.725 0.683 940 2HB PRO 10 2HB PRO 10 2.116 14.285 1.273 941 1HG PRO 10 1HG PRO 10 -0.373 13.603 -0.169 942 2HG PRO 10 2HG PRO 10 -0.014 15.027 0.787 943 1HD PRO 10 1HD PRO 10 -0.069 14.850 -2.075 944 2HD PRO 10 2HD PRO 10 0.403 16.242 -1.120 945 H VAL 11 H VAL 11 4.268 11.981 -0.312 946 HA VAL 11 HA VAL 11 3.226 10.383 -2.548 947 HB VAL 11 HB VAL 11 6.060 10.936 -1.688 948 1HG1 VAL 11 1HG1 VAL 11 6.171 9.111 -3.808 949 2HG1 VAL 11 2HG1 VAL 11 6.606 8.810 -2.109 950 3HG1 VAL 11 3HG1 VAL 11 4.966 8.433 -2.688 951 1HG2 VAL 11 1HG2 VAL 11 5.266 10.850 -4.543 952 2HG2 VAL 11 2HG2 VAL 11 4.536 12.154 -3.576 953 3HG2 VAL 11 3HG2 VAL 11 6.307 12.001 -3.671 954 H LYS 12 H LYS 12 2.724 8.264 -2.080 955 HA LYS 12 HA LYS 12 3.318 7.426 0.673 956 1HB LYS 12 1HB LYS 12 0.878 6.958 -1.054 957 2HB LYS 12 2HB LYS 12 1.218 6.007 0.378 958 1HG LYS 12 1HG LYS 12 1.589 8.603 1.314 959 2HG LYS 12 2HG LYS 12 0.291 8.819 0.157 960 1HD LYS 12 1HD LYS 12 -0.592 6.556 1.426 961 2HD LYS 12 2HD LYS 12 0.305 7.299 2.735 962 1HE LYS 12 1HE LYS 12 -1.768 8.324 3.038 963 2HE LYS 12 2HE LYS 12 -1.000 9.503 1.993 964 1HZ LYS 12 1HZ LYS 12 -2.542 7.297 0.856 965 2HZ LYS 12 2HZ LYS 12 -3.286 8.657 1.371 966 3HZ LYS 12 3HZ LYS 12 -2.173 8.736 0.179 967 H HIS 13 H HIS 13 5.128 6.171 0.502 968 HA HIS 13 HA HIS 13 5.414 4.455 -1.789 969 1HB HIS 13 1HB HIS 13 7.337 5.684 -0.918 970 2HB HIS 13 2HB HIS 13 7.165 4.908 0.643 971 HD1 HIS 13 HD1 HIS 13 8.609 4.425 -2.743 972 HD2 HIS 13 HD2 HIS 13 7.848 2.089 0.656 973 HE1 HIS 13 HE1 HIS 13 9.963 2.282 -3.031 974 HE2 HIS 13 HE2 HIS 13 9.498 0.910 -0.887 975 H VAL 14 H VAL 14 5.086 2.248 -1.856 976 HA VAL 14 HA VAL 14 3.986 1.094 0.607 977 HB VAL 14 HB VAL 14 3.575 0.432 -2.313 978 1HG1 VAL 14 1HG1 VAL 14 2.173 -0.913 0.004 979 2HG1 VAL 14 2HG1 VAL 14 2.205 -1.391 -1.710 980 3HG1 VAL 14 3HG1 VAL 14 3.666 -1.567 -0.709 981 1HG2 VAL 14 1HG2 VAL 14 1.235 0.990 -0.634 982 2HG2 VAL 14 2HG2 VAL 14 2.361 2.364 -0.751 983 3HG2 VAL 14 3HG2 VAL 14 1.684 1.639 -2.229 984 H LEU 15 H LEU 15 5.287 -0.277 1.698 985 HA LEU 15 HA LEU 15 7.192 -1.838 0.105 986 1HB LEU 15 1HB LEU 15 8.495 -0.105 1.040 987 2HB LEU 15 2HB LEU 15 7.706 -0.233 2.599 988 HG LEU 15 HG LEU 15 9.382 -2.472 1.450 989 1HD1 LEU 15 1HD1 LEU 15 10.895 -0.654 1.524 990 2HD1 LEU 15 2HD1 LEU 15 10.263 -0.090 3.090 991 3HD1 LEU 15 3HD1 LEU 15 11.188 -1.608 2.998 992 1HD2 LEU 15 1HD2 LEU 15 8.729 -3.592 3.247 993 2HD2 LEU 15 2HD2 LEU 15 9.430 -2.333 4.292 994 3HD2 LEU 15 3HD2 LEU 15 7.734 -2.209 3.765 995 H LEU 16 H LEU 16 7.293 -4.003 0.611 996 HA LEU 16 HA LEU 16 5.514 -4.830 2.794 997 1HB LEU 16 1HB LEU 16 4.548 -6.154 1.332 998 2HB LEU 16 2HB LEU 16 5.593 -5.535 0.068 999 HG LEU 16 HG LEU 16 7.300 -7.310 0.942 1000 1HD1 LEU 16 1HD1 LEU 16 6.580 -8.401 2.760 1001 2HD1 LEU 16 2HD1 LEU 16 4.879 -7.959 2.478 1002 3HD1 LEU 16 3HD1 LEU 16 5.594 -9.341 1.615 1003 1HD2 LEU 16 1HD2 LEU 16 6.819 -8.356 -0.962 1004 2HD2 LEU 16 2HD2 LEU 16 5.206 -8.837 -0.384 1005 3HD2 LEU 16 3HD2 LEU 16 5.445 -7.236 -1.124 1006 H ALA 17 H ALA 17 6.204 -6.549 4.202 1007 HA ALA 17 HA ALA 17 8.893 -7.518 3.957 1008 1HB ALA 17 1HB ALA 17 8.153 -5.677 6.268 1009 2HB ALA 17 2HB ALA 17 9.690 -6.551 6.067 1010 3HB ALA 17 3HB ALA 17 9.247 -5.257 4.928 1011 H SER 18 H SER 18 9.132 -9.465 5.068 1012 HA SER 18 HA SER 18 6.897 -10.159 6.802 1013 1HB SER 18 1HB SER 18 7.301 -11.233 4.264 1014 2HB SER 18 2HB SER 18 8.069 -12.421 5.297 1015 HG SER 18 HG SER 18 5.950 -12.191 6.616 1016 H PHE 19 H PHE 19 7.443 -11.518 8.605 1017 HA PHE 19 HA PHE 19 10.266 -11.457 9.232 1018 1HB PHE 19 1HB PHE 19 7.724 -12.340 10.728 1019 2HB PHE 19 2HB PHE 19 9.305 -12.241 11.477 1020 HD1 PHE 19 HD1 PHE 19 10.420 -9.984 11.664 1021 HD2 PHE 19 HD2 PHE 19 6.357 -10.425 10.522 1022 HE1 PHE 19 HE1 PHE 19 9.996 -7.578 12.244 1023 HE2 PHE 19 HE2 PHE 19 5.933 -8.020 11.101 1024 HZ PHE 19 HZ PHE 19 7.758 -6.625 11.955 1025 H LYS 20 H LYS 20 11.556 -13.138 8.657 1026 HA LYS 20 HA LYS 20 10.650 -15.544 7.683 1027 1HB LYS 20 1HB LYS 20 12.928 -14.560 7.402 1028 2HB LYS 20 2HB LYS 20 13.300 -15.004 9.055 1029 1HG LYS 20 1HG LYS 20 12.962 -17.386 8.556 1030 2HG LYS 20 2HG LYS 20 12.376 -17.012 6.948 1031 1HD LYS 20 1HD LYS 20 15.123 -16.037 7.758 1032 2HD LYS 20 2HD LYS 20 14.918 -17.727 7.342 1033 1HE LYS 20 1HE LYS 20 14.150 -17.196 5.115 1034 2HE LYS 20 2HE LYS 20 13.906 -15.508 5.517 1035 1HZ LYS 20 1HZ LYS 20 15.924 -15.682 4.366 1036 2HZ LYS 20 2HZ LYS 20 16.337 -15.413 5.923 1037 3HZ LYS 20 3HZ LYS 20 16.470 -16.913 5.290 1038 H ASP 21 H ASP 21 11.069 -17.774 8.683 1039 HA ASP 21 HA ASP 21 9.692 -17.774 11.184 1040 1HB ASP 21 1HB ASP 21 10.057 -19.566 8.961 1041 2HB ASP 21 2HB ASP 21 10.637 -20.398 10.391 1042 H GLY 22 H GLY 22 11.065 -17.279 12.938 1043 1HA GLY 22 1HA GLY 22 12.736 -18.984 14.133 1044 2HA GLY 22 2HA GLY 22 13.806 -18.245 12.958 1045 H VAL 23 H VAL 23 12.071 -15.671 13.091 1046 HA VAL 23 HA VAL 23 13.596 -14.485 15.214 1047 HB VAL 23 HB VAL 23 13.253 -13.447 12.995 1048 1HG1 VAL 23 1HG1 VAL 23 10.717 -14.233 13.059 1049 2HG1 VAL 23 2HG1 VAL 23 10.482 -12.616 13.765 1050 3HG1 VAL 23 3HG1 VAL 23 11.222 -12.785 12.155 1051 1HG2 VAL 23 1HG2 VAL 23 13.375 -11.333 13.841 1052 2HG2 VAL 23 2HG2 VAL 23 11.942 -11.542 14.877 1053 3HG2 VAL 23 3HG2 VAL 23 13.507 -12.230 15.373 1054 H SER 24 H SER 24 12.936 -14.128 17.276 1055 HA SER 24 HA SER 24 10.644 -15.266 18.231 1056 1HB SER 24 1HB SER 24 12.336 -12.997 19.362 1057 2HB SER 24 2HB SER 24 11.074 -13.799 20.276 1058 HG SER 24 HG SER 24 13.204 -15.290 19.026 1059 HA PRO 25 HA PRO 25 7.549 -12.311 17.436 1060 1HB PRO 25 1HB PRO 25 5.735 -12.851 19.407 1061 2HB PRO 25 2HB PRO 25 5.873 -13.806 17.944 1062 1HG PRO 25 1HG PRO 25 6.774 -14.467 20.681 1063 2HG PRO 25 2HG PRO 25 6.514 -15.541 19.320 1064 1HD PRO 25 1HD PRO 25 9.039 -14.612 20.317 1065 2HD PRO 25 2HD PRO 25 8.772 -15.592 18.888 1066 H GLU 26 H GLU 26 8.615 -12.434 20.774 1067 HA GLU 26 HA GLU 26 7.588 -9.986 21.495 1068 1HB GLU 26 1HB GLU 26 9.617 -11.881 22.520 1069 2HB GLU 26 2HB GLU 26 9.923 -10.221 22.990 1070 1HG GLU 26 1HG GLU 26 7.857 -10.021 24.140 1071 2HG GLU 26 2HG GLU 26 7.123 -11.347 23.262 1072 H LYS 27 H LYS 27 10.411 -10.857 19.549 1073 HA LYS 27 HA LYS 27 11.685 -8.317 19.817 1074 1HB LYS 27 1HB LYS 27 12.789 -10.557 19.306 1075 2HB LYS 27 2HB LYS 27 12.156 -10.406 17.679 1076 1HG LYS 27 1HG LYS 27 13.668 -8.782 17.104 1077 2HG LYS 27 2HG LYS 27 13.492 -7.938 18.630 1078 1HD LYS 27 1HD LYS 27 14.813 -10.054 19.597 1079 2HD LYS 27 2HD LYS 27 15.334 -10.232 17.933 1080 1HE LYS 27 1HE LYS 27 16.095 -7.807 17.970 1081 2HE LYS 27 2HE LYS 27 15.691 -7.747 19.674 1082 1HZ LYS 27 1HZ LYS 27 18.021 -8.642 18.583 1083 2HZ LYS 27 2HZ LYS 27 17.568 -8.770 20.147 1084 3HZ LYS 27 3HZ LYS 27 17.278 -9.998 19.110 1085 H ILE 28 H ILE 28 9.254 -9.812 17.689 1086 HA ILE 28 HA ILE 28 9.408 -7.992 15.590 1087 HB ILE 28 HB ILE 28 7.105 -9.622 16.662 1088 1HG1 ILE 28 1HG1 ILE 28 8.852 -10.187 14.259 1089 2HG1 ILE 28 2HG1 ILE 28 9.242 -10.778 15.862 1090 1HG2 ILE 28 1HG2 ILE 28 5.985 -9.265 14.556 1091 2HG2 ILE 28 2HG2 ILE 28 6.329 -7.691 15.313 1092 3HG2 ILE 28 3HG2 ILE 28 7.334 -8.267 13.962 1093 1HD1 ILE 28 1HD1 ILE 28 6.640 -11.551 15.764 1094 2HD1 ILE 28 2HD1 ILE 28 7.021 -11.586 14.026 1095 3HD1 ILE 28 3HD1 ILE 28 7.970 -12.571 15.165 1096 H GLU 29 H GLU 29 7.378 -7.981 18.595 1097 HA GLU 29 HA GLU 29 6.141 -5.570 17.981 1098 1HB GLU 29 1HB GLU 29 5.452 -5.575 20.362 1099 2HB GLU 29 2HB GLU 29 5.233 -7.152 19.629 1100 1HG GLU 29 1HG GLU 29 6.986 -8.121 20.834 1101 2HG GLU 29 2HG GLU 29 7.879 -6.618 20.961 1102 H GLU 30 H GLU 30 9.290 -6.384 19.372 1103 HA GLU 30 HA GLU 30 9.716 -3.881 20.578 1104 1HB GLU 30 1HB GLU 30 11.339 -6.317 19.955 1105 2HB GLU 30 2HB GLU 30 12.241 -4.831 20.180 1106 1HG GLU 30 1HG GLU 30 10.180 -5.060 22.236 1107 2HG GLU 30 2HG GLU 30 11.151 -6.519 22.203 1108 H LEU 31 H LEU 31 10.561 -5.344 17.387 1109 HA LEU 31 HA LEU 31 12.110 -3.181 16.497 1110 1HB LEU 31 1HB LEU 31 11.437 -5.720 15.615 1111 2HB LEU 31 2HB LEU 31 10.698 -4.669 14.423 1112 HG LEU 31 HG LEU 31 13.596 -4.387 15.231 1113 1HD1 LEU 31 1HD1 LEU 31 13.944 -5.630 12.960 1114 2HD1 LEU 31 2HD1 LEU 31 13.669 -6.557 14.455 1115 3HD1 LEU 31 3HD1 LEU 31 12.335 -6.309 13.304 1116 1HD2 LEU 31 1HD2 LEU 31 13.731 -3.378 12.919 1117 2HD2 LEU 31 2HD2 LEU 31 11.951 -3.402 12.894 1118 3HD2 LEU 31 3HD2 LEU 31 12.811 -2.445 14.124 1119 H ILE 32 H ILE 32 8.609 -3.837 16.583 1120 HA ILE 32 HA ILE 32 7.958 -1.718 14.798 1121 HB ILE 32 HB ILE 32 6.428 -3.510 16.656 1122 1HG1 ILE 32 1HG1 ILE 32 6.251 -3.116 13.656 1123 2HG1 ILE 32 2HG1 ILE 32 7.274 -4.313 14.426 1124 1HG2 ILE 32 1HG2 ILE 32 5.409 -1.251 16.777 1125 2HG2 ILE 32 2HG2 ILE 32 5.208 -1.279 15.008 1126 3HG2 ILE 32 3HG2 ILE 32 4.351 -2.466 16.020 1127 1HD1 ILE 32 1HD1 ILE 32 5.330 -5.397 15.463 1128 2HD1 ILE 32 2HD1 ILE 32 4.256 -4.120 14.845 1129 3HD1 ILE 32 3HD1 ILE 32 5.051 -5.239 13.712 1130 H LYS 33 H LYS 33 8.172 -2.136 18.369 1131 HA LYS 33 HA LYS 33 7.112 0.371 19.010 1132 1HB LYS 33 1HB LYS 33 7.406 -0.336 21.113 1133 2HB LYS 33 2HB LYS 33 7.877 -1.862 20.394 1134 1HG LYS 33 1HG LYS 33 10.260 -1.179 20.421 1135 2HG LYS 33 2HG LYS 33 9.825 0.401 21.041 1136 1HD LYS 33 1HD LYS 33 8.763 -0.796 23.052 1137 2HD LYS 33 2HD LYS 33 9.481 -2.279 22.457 1138 1HE LYS 33 1HE LYS 33 11.309 -1.687 23.691 1139 2HE LYS 33 2HE LYS 33 11.658 -0.563 22.393 1140 1HZ LYS 33 1HZ LYS 33 11.536 0.893 24.064 1141 2HZ LYS 33 2HZ LYS 33 9.926 0.839 23.797 1142 3HZ LYS 33 3HZ LYS 33 10.583 -0.041 25.005 1143 H GLY 34 H GLY 34 10.341 -0.721 17.973 1144 1HA GLY 34 1HA GLY 34 11.769 1.596 18.733 1145 2HA GLY 34 2HA GLY 34 12.239 0.407 17.534 1146 H TYR 35 H TYR 35 10.106 0.591 15.669 1147 HA TYR 35 HA TYR 35 10.911 2.583 14.010 1148 1HB TYR 35 1HB TYR 35 9.118 0.515 14.002 1149 2HB TYR 35 2HB TYR 35 7.971 1.818 14.241 1150 HD1 TYR 35 HD1 TYR 35 9.131 -0.229 11.812 1151 HD2 TYR 35 HD2 TYR 35 8.746 3.967 12.553 1152 HE1 TYR 35 HE1 TYR 35 9.109 0.218 9.309 1153 HE2 TYR 35 HE2 TYR 35 8.725 4.400 10.048 1154 HH TYR 35 HH TYR 35 8.997 1.699 7.750 1155 H ALA 36 H ALA 36 8.521 2.764 16.676 1156 HA ALA 36 HA ALA 36 7.513 5.301 15.927 1157 1HB ALA 36 1HB ALA 36 6.280 3.695 17.332 1158 2HB ALA 36 2HB ALA 36 7.525 3.835 18.597 1159 3HB ALA 36 3HB ALA 36 6.511 5.240 18.187 1160 H ASN 37 H ASN 37 10.229 4.118 17.942 1161 HA ASN 37 HA ASN 37 10.746 6.670 19.028 1162 1HB ASN 37 1HB ASN 37 11.432 4.359 19.985 1163 2HB ASN 37 2HB ASN 37 12.703 4.332 18.779 1164 1HD2 ASN 37 1HD2 ASN 37 14.572 4.828 19.608 1165 2HD2 ASN 37 2HD2 ASN 37 14.916 6.059 20.778 1166 H LEU 38 H LEU 38 11.901 4.664 16.271 1167 HA LEU 38 HA LEU 38 14.123 6.215 15.589 1168 1HB LEU 38 1HB LEU 38 13.566 3.877 14.864 1169 2HB LEU 38 2HB LEU 38 12.393 4.558 13.754 1170 HG LEU 38 HG LEU 38 14.572 5.972 13.006 1171 1HD1 LEU 38 1HD1 LEU 38 16.467 5.182 13.845 1172 2HD1 LEU 38 2HD1 LEU 38 15.611 3.846 14.654 1173 3HD1 LEU 38 3HD1 LEU 38 16.169 3.658 12.975 1174 1HD2 LEU 38 1HD2 LEU 38 13.105 3.670 12.037 1175 2HD2 LEU 38 2HD2 LEU 38 13.805 5.039 11.142 1176 3HD2 LEU 38 3HD2 LEU 38 14.807 3.617 11.518 1177 H VAL 39 H VAL 39 10.680 6.301 14.470 1178 HA VAL 39 HA VAL 39 11.086 8.433 12.688 1179 HB VAL 39 HB VAL 39 9.205 6.751 12.767 1180 1HG1 VAL 39 1HG1 VAL 39 7.194 7.511 14.117 1181 2HG1 VAL 39 2HG1 VAL 39 8.533 6.803 15.050 1182 3HG1 VAL 39 3HG1 VAL 39 8.306 8.568 15.019 1183 1HG2 VAL 39 1HG2 VAL 39 8.739 8.290 11.161 1184 2HG2 VAL 39 2HG2 VAL 39 7.458 8.756 12.306 1185 3HG2 VAL 39 3HG2 VAL 39 8.983 9.672 12.256 1186 H ASN 40 H ASN 40 10.709 8.213 16.187 1187 HA ASN 40 HA ASN 40 9.859 10.876 16.515 1188 1HB ASN 40 1HB ASN 40 9.433 9.215 18.273 1189 2HB ASN 40 2HB ASN 40 11.140 8.847 18.413 1190 1HD2 ASN 40 1HD2 ASN 40 12.566 10.352 19.325 1191 2HD2 ASN 40 2HD2 ASN 40 12.030 11.615 20.382 1192 H LEU 41 H LEU 41 12.944 9.146 16.163 1193 HA LEU 41 HA LEU 41 14.507 11.360 17.151 1194 1HB LEU 41 1HB LEU 41 14.863 8.621 16.951 1195 2HB LEU 41 2HB LEU 41 15.907 9.254 15.694 1196 HG LEU 41 HG LEU 41 17.069 8.914 17.842 1197 1HD1 LEU 41 1HD1 LEU 41 17.127 11.869 17.553 1198 2HD1 LEU 41 2HD1 LEU 41 18.451 10.679 17.528 1199 3HD1 LEU 41 3HD1 LEU 41 17.435 10.911 16.085 1200 1HD2 LEU 41 1HD2 LEU 41 15.825 11.280 19.116 1201 2HD2 LEU 41 2HD2 LEU 41 14.830 9.805 19.060 1202 3HD2 LEU 41 3HD2 LEU 41 16.434 9.767 19.830 1203 H ILE 42 H ILE 42 14.123 9.611 13.984 1204 HA ILE 42 HA ILE 42 15.625 11.322 12.466 1205 HB ILE 42 HB ILE 42 13.149 9.752 11.749 1206 1HG1 ILE 42 1HG1 ILE 42 15.053 8.461 12.707 1207 2HG1 ILE 42 2HG1 ILE 42 14.638 8.013 11.064 1208 1HG2 ILE 42 1HG2 ILE 42 13.493 11.471 10.079 1209 2HG2 ILE 42 2HG2 ILE 42 15.213 11.036 9.939 1210 3HG2 ILE 42 3HG2 ILE 42 13.958 9.884 9.421 1211 1HD1 ILE 42 1HD1 ILE 42 16.482 9.486 10.211 1212 2HD1 ILE 42 2HD1 ILE 42 16.926 9.856 11.894 1213 3HD1 ILE 42 3HD1 ILE 42 17.078 8.193 11.279 1214 H GLU 43 H GLU 43 15.490 13.437 11.946 1215 HA GLU 43 HA GLU 43 13.295 14.924 12.872 1216 1HB GLU 43 1HB GLU 43 15.950 15.438 12.054 1217 2HB GLU 43 2HB GLU 43 14.960 16.327 10.913 1218 1HG GLU 43 1HG GLU 43 13.692 17.325 12.873 1219 2HG GLU 43 2HG GLU 43 14.807 16.518 13.958 1220 HA PRO 44 HA PRO 44 12.292 15.225 8.248 1221 1HB PRO 44 1HB PRO 44 13.683 13.728 6.433 1222 2HB PRO 44 2HB PRO 44 14.077 15.395 6.803 1223 1HG PRO 44 1HG PRO 44 15.477 12.930 7.641 1224 2HG PRO 44 2HG PRO 44 16.068 14.580 7.632 1225 1HD PRO 44 1HD PRO 44 15.196 13.082 9.917 1226 2HD PRO 44 2HD PRO 44 15.678 14.766 9.890 1227 H MET 45 H MET 45 10.294 14.417 8.482 1228 HA MET 45 HA MET 45 9.747 11.995 7.322 1229 1HB MET 45 1HB MET 45 10.977 11.479 9.715 1230 2HB MET 45 2HB MET 45 9.332 11.655 10.294 1231 1HG MET 45 1HG MET 45 8.802 9.581 9.537 1232 2HG MET 45 2HG MET 45 9.264 10.024 7.906 1233 1HE MET 45 1HE MET 45 9.364 7.545 8.202 1234 2HE MET 45 2HE MET 45 10.996 6.943 7.824 1235 3HE MET 45 3HE MET 45 10.329 6.739 9.461 1236 H LYS 46 H LYS 46 7.971 13.099 6.453 1237 HA LYS 46 HA LYS 46 6.327 14.859 7.684 1238 1HB LYS 46 1HB LYS 46 5.741 12.794 5.552 1239 2HB LYS 46 2HB LYS 46 4.576 14.010 6.036 1240 1HG LYS 46 1HG LYS 46 7.320 15.045 5.458 1241 2HG LYS 46 2HG LYS 46 6.470 14.383 4.076 1242 1HD LYS 46 1HD LYS 46 4.904 16.223 5.864 1243 2HD LYS 46 2HD LYS 46 6.168 16.956 4.897 1244 1HE LYS 46 1HE LYS 46 5.182 16.149 2.828 1245 2HE LYS 46 2HE LYS 46 4.075 15.097 3.687 1246 1HZ LYS 46 1HZ LYS 46 4.063 18.034 3.738 1247 2HZ LYS 46 2HZ LYS 46 2.952 17.064 3.037 1248 3HZ LYS 46 3HZ LYS 46 3.094 17.101 4.663 1249 H ALA 47 H ALA 47 5.413 11.365 7.273 1250 HA ALA 47 HA ALA 47 4.730 11.121 10.022 1251 1HB ALA 47 1HB ALA 47 2.439 11.322 9.981 1252 2HB ALA 47 2HB ALA 47 2.836 12.504 8.711 1253 3HB ALA 47 3HB ALA 47 2.319 10.860 8.266 1254 H PHE 48 H PHE 48 4.530 8.935 10.586 1255 HA PHE 48 HA PHE 48 4.956 7.108 8.335 1256 1HB PHE 48 1HB PHE 48 6.770 7.113 9.979 1257 2HB PHE 48 2HB PHE 48 5.644 7.167 11.321 1258 HD1 PHE 48 HD1 PHE 48 6.325 4.939 8.393 1259 HD2 PHE 48 HD2 PHE 48 5.447 5.228 12.534 1260 HE1 PHE 48 HE1 PHE 48 6.442 2.439 8.593 1261 HE2 PHE 48 HE2 PHE 48 5.564 2.729 12.734 1262 HZ PHE 48 HZ PHE 48 6.060 1.364 10.761 1263 H HIS 49 H HIS 49 3.372 5.673 7.817 1264 HA HIS 49 HA HIS 49 1.352 5.179 9.884 1265 1HB HIS 49 1HB HIS 49 1.097 6.136 7.154 1266 2HB HIS 49 2HB HIS 49 0.205 4.644 7.375 1267 HD1 HIS 49 HD1 HIS 49 -0.431 8.076 7.455 1268 HD2 HIS 49 HD2 HIS 49 -1.300 4.970 10.138 1269 HE1 HIS 49 HE1 HIS 49 -2.363 8.902 8.904 1270 HE2 HIS 49 HE2 HIS 49 -2.888 6.930 10.496 1271 H TRP 50 H TRP 50 0.496 3.015 10.020 1272 HA TRP 50 HA TRP 50 1.891 1.016 8.419 1273 1HB TRP 50 1HB TRP 50 2.732 -0.197 10.199 1274 2HB TRP 50 2HB TRP 50 3.137 1.462 10.594 1275 HD1 TRP 50 HD1 TRP 50 1.993 2.494 12.805 1276 HE1 TRP 50 HE1 TRP 50 0.605 1.536 14.835 1277 HE3 TRP 50 HE3 TRP 50 0.973 -2.004 10.664 1278 HZ2 TRP 50 HZ2 TRP 50 -0.733 -0.940 15.307 1279 HZ3 TRP 50 HZ3 TRP 50 -0.380 -3.635 11.977 1280 HH2 TRP 50 HH2 TRP 50 -1.224 -3.163 14.222 1281 H GLY 51 H GLY 51 0.700 -1.057 8.419 1282 1HA GLY 51 1HA GLY 51 -1.949 -1.021 9.650 1283 2HA GLY 51 2HA GLY 51 -1.885 -1.038 7.898 1284 H LYS 52 H LYS 52 -3.097 -3.176 9.137 1285 HA LYS 52 HA LYS 52 -1.057 -5.282 8.926 1286 1HB LYS 52 1HB LYS 52 -2.335 -6.591 10.503 1287 2HB LYS 52 2HB LYS 52 -1.949 -5.035 11.210 1288 1HG LYS 52 1HG LYS 52 -4.148 -4.364 11.278 1289 2HG LYS 52 2HG LYS 52 -4.523 -5.073 9.721 1290 1HD LYS 52 1HD LYS 52 -4.297 -6.541 12.387 1291 2HD LYS 52 2HD LYS 52 -5.758 -6.279 11.456 1292 1HE LYS 52 1HE LYS 52 -4.270 -7.531 9.550 1293 2HE LYS 52 2HE LYS 52 -3.517 -8.222 10.973 1294 1HZ LYS 52 1HZ LYS 52 -6.246 -8.275 11.379 1295 2HZ LYS 52 2HZ LYS 52 -5.991 -8.840 9.868 1296 3HZ LYS 52 3HZ LYS 52 -5.247 -9.545 11.139 1297 H ASP 53 H ASP 53 -1.675 -7.234 7.809 1298 HA ASP 53 HA ASP 53 -3.366 -6.642 5.620 1299 1HB ASP 53 1HB ASP 53 -2.776 -8.965 4.894 1300 2HB ASP 53 2HB ASP 53 -1.365 -8.004 5.290 1301 H VAL 54 H VAL 54 -5.605 -6.844 5.786 1302 HA VAL 54 HA VAL 54 -6.650 -8.739 7.748 1303 HB VAL 54 HB VAL 54 -8.811 -7.473 7.136 1304 1HG1 VAL 54 1HG1 VAL 54 -6.791 -7.057 9.042 1305 2HG1 VAL 54 2HG1 VAL 54 -7.208 -5.436 8.438 1306 3HG1 VAL 54 3HG1 VAL 54 -8.476 -6.488 9.112 1307 1HG2 VAL 54 1HG2 VAL 54 -7.598 -6.417 5.094 1308 2HG2 VAL 54 2HG2 VAL 54 -8.688 -5.402 6.070 1309 3HG2 VAL 54 3HG2 VAL 54 -6.925 -5.280 6.287 1310 H SER 55 H SER 55 -7.223 -10.726 7.051 1311 HA SER 55 HA SER 55 -8.698 -10.937 4.626 1312 1HB SER 55 1HB SER 55 -7.202 -12.527 3.507 1313 2HB SER 55 2HB SER 55 -6.367 -11.008 3.766 1314 HG SER 55 HG SER 55 -5.137 -13.001 4.330 1315 H ILE 56 H ILE 56 -8.431 -13.788 4.303 1316 HA ILE 56 HA ILE 56 -9.646 -14.635 6.824 1317 HB ILE 56 HB ILE 56 -10.875 -14.737 4.610 1318 1HG1 ILE 56 1HG1 ILE 56 -11.704 -17.131 5.140 1319 2HG1 ILE 56 2HG1 ILE 56 -10.559 -17.094 6.466 1320 1HG2 ILE 56 1HG2 ILE 56 -9.069 -17.124 4.144 1321 2HG2 ILE 56 2HG2 ILE 56 -10.425 -16.585 3.124 1322 3HG2 ILE 56 3HG2 ILE 56 -8.966 -15.575 3.273 1323 1HD1 ILE 56 1HD1 ILE 56 -11.613 -15.013 7.339 1324 2HD1 ILE 56 2HD1 ILE 56 -12.774 -15.046 5.990 1325 3HD1 ILE 56 3HD1 ILE 56 -12.794 -16.338 7.214 1326 H GLU 57 H GLU 57 -6.636 -14.376 5.887 1327 HA GLU 57 HA GLU 57 -4.807 -15.393 6.499 1328 1HB GLU 57 1HB GLU 57 -6.728 -16.677 8.161 1329 2HB GLU 57 2HB GLU 57 -5.728 -17.962 7.513 1330 1HG GLU 57 1HG GLU 57 -3.898 -17.312 8.721 1331 2HG GLU 57 2HG GLU 57 -4.137 -15.617 8.347 1332 H ASN 58 H ASN 58 -5.951 -15.652 3.873 1333 HA ASN 58 HA ASN 58 -4.446 -17.916 3.027 1334 1HB ASN 58 1HB ASN 58 -7.354 -18.078 3.246 1335 2HB ASN 58 2HB ASN 58 -6.899 -18.170 1.556 1336 1HD2 ASN 58 1HD2 ASN 58 -5.672 -19.857 0.791 1337 2HD2 ASN 58 2HD2 ASN 58 -5.386 -21.317 1.677 1338 H LEU 59 H LEU 59 -4.727 -17.996 0.404 1339 HA LEU 59 HA LEU 59 -4.671 -16.960 -1.554 1340 1HB LEU 59 1HB LEU 59 -6.647 -15.486 -0.130 1341 2HB LEU 59 2HB LEU 59 -5.664 -14.340 -1.019 1342 HG LEU 59 HG LEU 59 -7.559 -14.956 -2.356 1343 1HD1 LEU 59 1HD1 LEU 59 -6.127 -14.663 -4.036 1344 2HD1 LEU 59 2HD1 LEU 59 -4.830 -15.539 -3.190 1345 3HD1 LEU 59 3HD1 LEU 59 -6.035 -16.437 -4.143 1346 1HD2 LEU 59 1HD2 LEU 59 -7.940 -17.162 -1.202 1347 2HD2 LEU 59 2HD2 LEU 59 -8.163 -17.172 -2.968 1348 3HD2 LEU 59 3HD2 LEU 59 -6.679 -17.848 -2.255 1349 H HIS 60 H HIS 60 -4.069 -14.462 1.023 1350 HA HIS 60 HA HIS 60 -2.223 -12.975 -0.213 1351 1HB HIS 60 1HB HIS 60 -1.379 -12.375 1.951 1352 2HB HIS 60 2HB HIS 60 -3.112 -12.608 2.061 1353 HD1 HIS 60 HD1 HIS 60 0.040 -13.641 3.600 1354 HD2 HIS 60 HD2 HIS 60 -3.827 -15.230 3.261 1355 HE1 HIS 60 HE1 HIS 60 -0.152 -15.445 5.395 1356 HE2 HIS 60 HE2 HIS 60 -2.567 -16.347 5.173 1357 H GLN 61 H GLN 61 0.013 -13.013 -0.650 1358 HA GLN 61 HA GLN 61 1.032 -15.639 -1.010 1359 1HB GLN 61 1HB GLN 61 2.332 -12.922 -1.499 1360 2HB GLN 61 2HB GLN 61 2.966 -14.458 -2.056 1361 1HG GLN 61 1HG GLN 61 0.360 -13.120 -2.897 1362 2HG GLN 61 2HG GLN 61 1.752 -13.462 -3.905 1363 1HE2 GLN 61 1HE2 GLN 61 -1.141 -14.270 -3.955 1364 2HE2 GLN 61 2HE2 GLN 61 -1.149 -15.993 -4.129 1365 H GLY 62 H GLY 62 1.115 -13.253 1.500 1366 1HA GLY 62 1HA GLY 62 1.985 -14.199 3.610 1367 2HA GLY 62 2HA GLY 62 3.448 -14.595 2.731 1368 H TYR 63 H TYR 63 1.436 -11.613 2.401 1369 HA TYR 63 HA TYR 63 3.723 -9.956 2.546 1370 1HB TYR 63 1HB TYR 63 0.670 -9.662 2.660 1371 2HB TYR 63 2HB TYR 63 1.692 -8.244 2.789 1372 HD1 TYR 63 HD1 TYR 63 -0.277 -9.922 0.568 1373 HD2 TYR 63 HD2 TYR 63 3.706 -8.385 0.840 1374 HE1 TYR 63 HE1 TYR 63 -0.155 -9.772 -1.967 1375 HE2 TYR 63 HE2 TYR 63 3.815 -8.240 -1.696 1376 HH TYR 63 HH TYR 63 2.684 -8.370 -3.554 1377 H THR 64 H THR 64 1.114 -10.862 4.866 1378 HA THR 64 HA THR 64 0.993 -10.673 7.080 1379 HB THR 64 HB THR 64 3.880 -9.778 7.270 1380 HG1 THR 64 HG1 THR 64 2.737 -12.342 6.408 1381 1HG2 THR 64 1HG2 THR 64 2.013 -10.857 9.077 1382 2HG2 THR 64 2HG2 THR 64 2.986 -12.266 8.590 1383 3HG2 THR 64 3HG2 THR 64 3.779 -10.840 9.302 1384 H HIS 65 H HIS 65 3.228 -8.021 5.999 1385 HA HIS 65 HA HIS 65 1.200 -6.105 6.596 1386 1HB HIS 65 1HB HIS 65 3.715 -6.026 8.278 1387 2HB HIS 65 2HB HIS 65 2.362 -4.914 8.343 1388 HD1 HIS 65 HD1 HIS 65 3.063 -8.630 8.966 1389 HD2 HIS 65 HD2 HIS 65 0.445 -5.587 10.184 1390 HE1 HIS 65 HE1 HIS 65 1.640 -9.618 10.839 1391 HE2 HIS 65 HE2 HIS 65 0.088 -7.685 11.584 1392 H ILE 66 H ILE 66 2.109 -3.804 6.170 1393 HA ILE 66 HA ILE 66 4.424 -3.903 4.399 1394 HB ILE 66 HB ILE 66 3.180 -2.562 2.717 1395 1HG1 ILE 66 1HG1 ILE 66 0.554 -3.547 3.641 1396 2HG1 ILE 66 2HG1 ILE 66 1.250 -2.287 4.641 1397 1HG2 ILE 66 1HG2 ILE 66 1.633 -5.045 2.700 1398 2HG2 ILE 66 2HG2 ILE 66 2.854 -4.440 1.555 1399 3HG2 ILE 66 3HG2 ILE 66 3.363 -5.295 3.031 1400 1HD1 ILE 66 1HD1 ILE 66 1.651 -1.622 1.837 1401 2HD1 ILE 66 2HD1 ILE 66 -0.068 -1.971 2.143 1402 3HD1 ILE 66 3HD1 ILE 66 0.766 -0.714 3.087 1403 H PHE 67 H PHE 67 5.702 -2.078 4.526 1404 HA PHE 67 HA PHE 67 4.786 -0.107 6.478 1405 1HB PHE 67 1HB PHE 67 7.510 -0.849 5.251 1406 2HB PHE 67 2HB PHE 67 7.308 0.419 6.445 1407 HD1 PHE 67 HD1 PHE 67 5.633 -0.644 8.481 1408 HD2 PHE 67 HD2 PHE 67 8.563 -2.671 6.175 1409 HE1 PHE 67 HE1 PHE 67 5.914 -2.330 10.319 1410 HE2 PHE 67 HE2 PHE 67 8.843 -4.357 8.013 1411 HZ PHE 67 HZ PHE 67 7.515 -4.166 10.063 1412 H GLU 68 H GLU 68 4.455 2.025 5.939 1413 HA GLU 68 HA GLU 68 5.239 2.757 3.226 1414 1HB GLU 68 1HB GLU 68 2.697 3.523 4.727 1415 2HB GLU 68 2HB GLU 68 3.180 4.226 3.196 1416 1HG GLU 68 1HG GLU 68 3.364 1.658 2.445 1417 2HG GLU 68 2HG GLU 68 2.262 1.409 3.785 1418 H SER 69 H SER 69 6.398 4.660 3.015 1419 HA SER 69 HA SER 69 6.547 6.289 5.431 1420 1HB SER 69 1HB SER 69 8.620 4.791 4.505 1421 2HB SER 69 2HB SER 69 8.882 6.238 3.552 1422 HG SER 69 HG SER 69 8.705 6.074 6.439 1423 H THR 70 H THR 70 5.713 8.309 5.067 1424 HA THR 70 HA THR 70 5.747 9.293 2.294 1425 HB THR 70 HB THR 70 3.931 9.828 4.699 1426 HG1 THR 70 HG1 THR 70 2.849 8.247 3.596 1427 1HG2 THR 70 1HG2 THR 70 2.817 10.820 2.267 1428 2HG2 THR 70 2HG2 THR 70 3.314 11.780 3.681 1429 3HG2 THR 70 3HG2 THR 70 4.464 11.490 2.354 1430 H PHE 71 H PHE 71 6.881 11.060 1.734 1431 HA PHE 71 HA PHE 71 7.909 12.692 3.941 1432 1HB PHE 71 1HB PHE 71 9.255 11.353 1.548 1433 2HB PHE 71 2HB PHE 71 9.942 12.837 2.179 1434 HD1 PHE 71 HD1 PHE 71 11.183 12.852 4.215 1435 HD2 PHE 71 HD2 PHE 71 9.162 9.327 2.992 1436 HE1 PHE 71 HE1 PHE 71 12.422 11.537 5.958 1437 HE2 PHE 71 HE2 PHE 71 10.401 8.012 4.735 1438 HZ PHE 71 HZ PHE 71 12.016 9.133 6.197 1439 H GLU 72 H GLU 72 8.957 14.811 2.923 1440 HA GLU 72 HA GLU 72 6.917 16.235 1.818 1441 1HB GLU 72 1HB GLU 72 9.560 16.724 2.686 1442 2HB GLU 72 2HB GLU 72 9.528 17.306 1.033 1443 1HG GLU 72 1HG GLU 72 8.216 19.088 1.577 1444 2HG GLU 72 2HG GLU 72 7.090 18.086 2.472 1445 H SER 73 H SER 73 9.857 14.897 0.145 1446 HA SER 73 HA SER 73 8.247 14.567 -2.208 1447 1HB SER 73 1HB SER 73 10.454 16.589 -1.972 1448 2HB SER 73 2HB SER 73 10.383 15.667 -3.461 1449 HG SER 73 HG SER 73 8.027 16.311 -3.522 1450 H LYS 74 H LYS 74 9.950 13.645 -4.049 1451 HA LYS 74 HA LYS 74 10.953 11.268 -2.893 1452 1HB LYS 74 1HB LYS 74 11.581 10.691 -5.163 1453 2HB LYS 74 2HB LYS 74 9.965 11.367 -5.137 1454 1HG LYS 74 1HG LYS 74 11.540 13.639 -5.494 1455 2HG LYS 74 2HG LYS 74 12.433 12.430 -6.395 1456 1HD LYS 74 1HD LYS 74 9.467 13.074 -6.749 1457 2HD LYS 74 2HD LYS 74 10.752 13.573 -7.831 1458 1HE LYS 74 1HE LYS 74 11.163 11.347 -8.581 1459 2HE LYS 74 2HE LYS 74 10.368 10.630 -7.194 1460 1HZ LYS 74 1HZ LYS 74 8.769 10.455 -8.766 1461 2HZ LYS 74 2HZ LYS 74 8.343 11.907 -8.152 1462 3HZ LYS 74 3HZ LYS 74 9.179 11.826 -9.552 1463 H GLU 75 H GLU 75 12.274 14.463 -3.546 1464 HA GLU 75 HA GLU 75 14.964 13.603 -3.587 1465 1HB GLU 75 1HB GLU 75 13.794 16.372 -3.065 1466 2HB GLU 75 2HB GLU 75 15.475 16.035 -3.428 1467 1HG GLU 75 1HG GLU 75 14.554 14.860 -5.589 1468 2HG GLU 75 2HG GLU 75 13.063 15.715 -5.248 1469 H ALA 76 H ALA 76 12.603 14.525 -1.102 1470 HA ALA 76 HA ALA 76 14.553 14.945 0.939 1471 1HB ALA 76 1HB ALA 76 11.579 14.359 1.199 1472 2HB ALA 76 2HB ALA 76 12.630 15.181 2.378 1473 3HB ALA 76 3HB ALA 76 12.243 15.968 0.829 1474 H VAL 77 H VAL 77 12.244 12.290 0.054 1475 HA VAL 77 HA VAL 77 12.863 10.565 2.100 1476 HB VAL 77 HB VAL 77 11.207 10.564 -0.021 1477 1HG1 VAL 77 1HG1 VAL 77 13.344 8.511 -0.688 1478 2HG1 VAL 77 2HG1 VAL 77 11.751 8.638 -1.471 1479 3HG1 VAL 77 3HG1 VAL 77 12.932 9.959 -1.638 1480 1HG2 VAL 77 1HG2 VAL 77 11.633 9.006 2.239 1481 2HG2 VAL 77 2HG2 VAL 77 10.238 8.909 1.137 1482 3HG2 VAL 77 3HG2 VAL 77 11.631 7.824 0.908 1483 H ALA 78 H ALA 78 14.735 11.496 -0.754 1484 HA ALA 78 HA ALA 78 16.449 9.285 -0.837 1485 1HB ALA 78 1HB ALA 78 16.796 10.493 -2.720 1486 2HB ALA 78 2HB ALA 78 16.270 12.010 -1.952 1487 3HB ALA 78 3HB ALA 78 17.940 11.434 -1.732 1488 H GLU 79 H GLU 79 16.288 12.183 1.225 1489 HA GLU 79 HA GLU 79 18.918 11.885 2.199 1490 1HB GLU 79 1HB GLU 79 17.221 13.950 2.202 1491 2HB GLU 79 2HB GLU 79 16.766 13.304 3.766 1492 1HG GLU 79 1HG GLU 79 19.256 13.301 4.381 1493 2HG GLU 79 2HG GLU 79 19.558 14.170 2.890 1494 H TYR 80 H TYR 80 15.635 10.876 3.286 1495 HA TYR 80 HA TYR 80 16.428 9.909 5.798 1496 1HB TYR 80 1HB TYR 80 14.085 10.227 5.411 1497 2HB TYR 80 2HB TYR 80 14.181 9.608 3.774 1498 HD1 TYR 80 HD1 TYR 80 13.337 7.485 3.320 1499 HD2 TYR 80 HD2 TYR 80 14.523 8.432 7.320 1500 HE1 TYR 80 HE1 TYR 80 12.448 5.243 4.122 1501 HE2 TYR 80 HE2 TYR 80 13.630 6.186 8.109 1502 HH TYR 80 HH TYR 80 12.551 4.391 7.568 1503 H ILE 81 H ILE 81 16.231 8.394 2.532 1504 HA ILE 81 HA ILE 81 16.785 5.789 3.494 1505 HB ILE 81 HB ILE 81 16.949 7.031 0.748 1506 1HG1 ILE 81 1HG1 ILE 81 14.828 5.233 1.956 1507 2HG1 ILE 81 2HG1 ILE 81 14.705 6.978 1.866 1508 1HG2 ILE 81 1HG2 ILE 81 17.310 4.171 1.651 1509 2HG2 ILE 81 2HG2 ILE 81 16.828 4.605 -0.006 1510 3HG2 ILE 81 3HG2 ILE 81 18.387 5.167 0.643 1511 1HD1 ILE 81 1HD1 ILE 81 14.715 4.962 -0.389 1512 2HD1 ILE 81 2HD1 ILE 81 13.590 6.308 -0.091 1513 3HD1 ILE 81 3HD1 ILE 81 15.229 6.637 -0.701 1514 H ALA 82 H ALA 82 18.705 8.642 2.766 1515 HA ALA 82 HA ALA 82 21.146 7.060 2.659 1516 1HB ALA 82 1HB ALA 82 21.002 10.073 2.574 1517 2HB ALA 82 2HB ALA 82 22.147 8.973 1.769 1518 3HB ALA 82 3HB ALA 82 20.479 9.120 1.165 1519 H HIS 83 H HIS 83 19.326 7.322 5.100 1520 HA HIS 83 HA HIS 83 21.123 8.788 6.862 1521 1HB HIS 83 1HB HIS 83 18.437 8.857 6.725 1522 2HB HIS 83 2HB HIS 83 18.611 7.542 7.869 1523 HD1 HIS 83 HD1 HIS 83 19.216 8.133 10.270 1524 HD2 HIS 83 HD2 HIS 83 19.589 11.377 7.636 1525 HE1 HIS 83 HE1 HIS 83 19.621 10.191 11.723 1526 HE2 HIS 83 HE2 HIS 83 19.896 12.143 10.047 1527 HA PRO 84 HA PRO 84 22.798 5.072 8.321 1528 1HB PRO 84 1HB PRO 84 23.911 5.921 10.668 1529 2HB PRO 84 2HB PRO 84 24.674 6.150 9.108 1530 1HG PRO 84 1HG PRO 84 23.287 8.137 10.801 1531 2HG PRO 84 2HG PRO 84 24.403 8.410 9.478 1532 1HD PRO 84 1HD PRO 84 21.549 8.690 9.401 1533 2HD PRO 84 2HD PRO 84 22.655 8.850 8.051 1534 H ALA 85 H ALA 85 20.918 6.897 10.664 1535 HA ALA 85 HA ALA 85 20.469 4.806 12.421 1536 1HB ALA 85 1HB ALA 85 19.828 7.455 12.279 1537 2HB ALA 85 2HB ALA 85 18.240 6.716 11.959 1538 3HB ALA 85 3HB ALA 85 19.119 6.323 13.455 1539 H HIS 86 H HIS 86 18.832 5.732 9.355 1540 HA HIS 86 HA HIS 86 16.798 3.772 9.684 1541 1HB HIS 86 1HB HIS 86 16.148 5.610 8.418 1542 2HB HIS 86 2HB HIS 86 17.648 5.663 7.514 1543 HD1 HIS 86 HD1 HIS 86 14.666 3.267 7.870 1544 HD2 HIS 86 HD2 HIS 86 17.406 4.631 5.001 1545 HE1 HIS 86 HE1 HIS 86 13.984 2.188 5.660 1546 HE2 HIS 86 HE2 HIS 86 15.671 3.107 3.926 1547 H VAL 87 H VAL 87 19.961 4.008 7.997 1548 HA VAL 87 HA VAL 87 19.716 1.633 6.539 1549 HB VAL 87 HB VAL 87 22.013 3.308 7.521 1550 1HG1 VAL 87 1HG1 VAL 87 22.981 1.569 5.518 1551 2HG1 VAL 87 2HG1 VAL 87 23.454 1.629 7.233 1552 3HG1 VAL 87 3HG1 VAL 87 22.148 0.540 6.707 1553 1HG2 VAL 87 1HG2 VAL 87 22.051 4.218 5.416 1554 2HG2 VAL 87 2HG2 VAL 87 21.416 2.745 4.643 1555 3HG2 VAL 87 3HG2 VAL 87 20.319 3.826 5.536 1556 H GLU 88 H GLU 88 21.076 2.355 9.814 1557 HA GLU 88 HA GLU 88 21.933 -0.237 10.287 1558 1HB GLU 88 1HB GLU 88 22.267 2.111 11.564 1559 2HB GLU 88 2HB GLU 88 20.983 1.473 12.572 1560 1HG GLU 88 1HG GLU 88 22.590 0.318 13.689 1561 2HG GLU 88 2HG GLU 88 22.690 -0.727 12.286 1562 H PHE 89 H PHE 89 18.779 1.400 10.739 1563 HA PHE 89 HA PHE 89 17.653 -0.732 12.247 1564 1HB PHE 89 1HB PHE 89 16.597 1.382 12.530 1565 2HB PHE 89 2HB PHE 89 16.837 1.831 10.854 1566 HD1 PHE 89 HD1 PHE 89 14.928 -0.687 12.850 1567 HD2 PHE 89 HD2 PHE 89 14.977 1.913 9.497 1568 HE1 PHE 89 HE1 PHE 89 12.544 -1.290 12.347 1569 HE2 PHE 89 HE2 PHE 89 12.593 1.310 8.994 1570 HZ PHE 89 HZ PHE 89 11.405 -0.284 10.425 1571 H ALA 90 H ALA 90 17.450 0.371 8.799 1572 HA ALA 90 HA ALA 90 15.647 -1.646 8.026 1573 1HB ALA 90 1HB ALA 90 17.618 0.105 6.510 1574 2HB ALA 90 2HB ALA 90 16.452 -0.980 5.715 1575 3HB ALA 90 3HB ALA 90 15.870 0.367 6.723 1576 H THR 91 H THR 91 19.244 -1.377 8.059 1577 HA THR 91 HA THR 91 19.753 -3.759 6.680 1578 HB THR 91 HB THR 91 21.327 -2.183 8.783 1579 HG1 THR 91 HG1 THR 91 20.826 -1.048 6.803 1580 1HG2 THR 91 1HG2 THR 91 22.806 -3.649 6.687 1581 2HG2 THR 91 2HG2 THR 91 23.126 -3.564 8.436 1582 3HG2 THR 91 3HG2 THR 91 21.955 -4.745 7.802 1583 H ILE 92 H ILE 92 19.315 -3.103 10.203 1584 HA ILE 92 HA ILE 92 19.924 -5.657 11.074 1585 HB ILE 92 HB ILE 92 18.254 -3.405 12.125 1586 1HG1 ILE 92 1HG1 ILE 92 20.661 -4.709 13.389 1587 2HG1 ILE 92 2HG1 ILE 92 20.843 -3.533 12.103 1588 1HG2 ILE 92 1HG2 ILE 92 18.559 -6.126 13.424 1589 2HG2 ILE 92 2HG2 ILE 92 17.948 -4.664 14.234 1590 3HG2 ILE 92 3HG2 ILE 92 17.049 -5.364 12.866 1591 1HD1 ILE 92 1HD1 ILE 92 20.668 -1.915 13.679 1592 2HD1 ILE 92 2HD1 ILE 92 18.955 -2.366 13.852 1593 3HD1 ILE 92 3HD1 ILE 92 20.180 -3.099 14.915 1594 H PHE 93 H PHE 93 16.753 -4.236 10.048 1595 HA PHE 93 HA PHE 93 15.254 -6.526 10.529 1596 1HB PHE 93 1HB PHE 93 14.814 -3.940 9.756 1597 2HB PHE 93 2HB PHE 93 14.738 -4.681 8.170 1598 HD1 PHE 93 HD1 PHE 93 12.521 -3.240 9.776 1599 HD2 PHE 93 HD2 PHE 93 13.497 -7.334 9.232 1600 HE1 PHE 93 HE1 PHE 93 10.125 -3.865 10.182 1601 HE2 PHE 93 HE2 PHE 93 11.100 -7.958 9.638 1602 HZ PHE 93 HZ PHE 93 9.443 -6.216 10.109 1603 H LEU 94 H LEU 94 17.003 -5.395 7.570 1604 HA LEU 94 HA LEU 94 16.093 -7.383 5.866 1605 1HB LEU 94 1HB LEU 94 18.635 -5.765 5.939 1606 2HB LEU 94 2HB LEU 94 18.262 -6.883 4.642 1607 HG LEU 94 HG LEU 94 16.214 -4.815 5.323 1608 1HD1 LEU 94 1HD1 LEU 94 18.951 -4.217 4.347 1609 2HD1 LEU 94 2HD1 LEU 94 17.606 -3.434 3.482 1610 3HD1 LEU 94 3HD1 LEU 94 17.793 -3.200 5.237 1611 1HD2 LEU 94 1HD2 LEU 94 15.618 -4.981 3.052 1612 2HD2 LEU 94 2HD2 LEU 94 17.163 -5.750 2.613 1613 3HD2 LEU 94 3HD2 LEU 94 15.963 -6.648 3.573 1614 H GLY 95 H GLY 95 18.401 -7.464 8.530 1615 1HA GLY 95 1HA GLY 95 19.890 -9.723 7.785 1616 2HA GLY 95 2HA GLY 95 19.631 -9.125 9.412 1617 H SER 96 H SER 96 16.808 -9.347 9.663 1618 HA SER 96 HA SER 96 16.492 -12.232 9.360 1619 1HB SER 96 1HB SER 96 15.685 -10.391 11.643 1620 2HB SER 96 2HB SER 96 14.980 -11.984 11.450 1621 HG SER 96 HG SER 96 17.106 -12.916 11.609 1622 H LEU 97 H LEU 97 15.685 -10.865 7.201 1623 HA LEU 97 HA LEU 97 12.805 -10.448 7.612 1624 1HB LEU 97 1HB LEU 97 13.629 -8.374 6.998 1625 2HB LEU 97 2HB LEU 97 14.815 -9.044 5.895 1626 HG LEU 97 HG LEU 97 12.132 -9.707 5.016 1627 1HD1 LEU 97 1HD1 LEU 97 11.556 -7.313 4.361 1628 2HD1 LEU 97 2HD1 LEU 97 11.283 -7.776 6.058 1629 3HD1 LEU 97 3HD1 LEU 97 12.709 -6.805 5.618 1630 1HD2 LEU 97 1HD2 LEU 97 14.381 -9.632 3.760 1631 2HD2 LEU 97 2HD2 LEU 97 12.923 -9.045 2.926 1632 3HD2 LEU 97 3HD2 LEU 97 14.080 -7.884 3.619 1633 H ASP 98 H ASP 98 11.357 -11.439 6.149 1634 HA ASP 98 HA ASP 98 12.498 -13.761 4.923 1635 1HB ASP 98 1HB ASP 98 10.030 -13.104 6.128 1636 2HB ASP 98 2HB ASP 98 9.635 -13.273 4.429 1637 H LYS 99 H LYS 99 10.181 -11.103 3.962 1638 HA LYS 99 HA LYS 99 11.371 -11.189 1.283 1639 1HB LYS 99 1HB LYS 99 8.440 -11.219 2.021 1640 2HB LYS 99 2HB LYS 99 9.002 -10.685 0.450 1641 1HG LYS 99 1HG LYS 99 10.367 -13.143 1.010 1642 2HG LYS 99 2HG LYS 99 8.687 -13.398 1.440 1643 1HD LYS 99 1HD LYS 99 9.371 -12.049 -1.188 1644 2HD LYS 99 2HD LYS 99 9.485 -13.792 -1.056 1645 1HE LYS 99 1HE LYS 99 6.970 -12.672 0.066 1646 2HE LYS 99 2HE LYS 99 7.163 -12.386 -1.652 1647 1HZ LYS 99 1HZ LYS 99 7.894 -15.021 -0.987 1648 2HZ LYS 99 2HZ LYS 99 6.377 -14.707 -0.471 1649 3HZ LYS 99 3HZ LYS 99 6.763 -14.502 -2.045 1650 H VAL 100 H VAL 100 11.176 -9.129 0.091 1651 HA VAL 100 HA VAL 100 10.390 -6.832 1.648 1652 HB VAL 100 HB VAL 100 12.520 -6.938 2.552 1653 1HG1 VAL 100 1HG1 VAL 100 13.782 -7.509 -0.142 1654 2HG1 VAL 100 2HG1 VAL 100 14.517 -7.636 1.475 1655 3HG1 VAL 100 3HG1 VAL 100 13.262 -8.795 0.974 1656 1HG2 VAL 100 1HG2 VAL 100 13.310 -4.899 1.987 1657 2HG2 VAL 100 2HG2 VAL 100 13.480 -5.325 0.267 1658 3HG2 VAL 100 3HG2 VAL 100 11.891 -4.849 0.913 1659 H LEU 101 H LEU 101 9.324 -5.510 0.271 1660 HA LEU 101 HA LEU 101 10.257 -5.449 -2.504 1661 1HB LEU 101 1HB LEU 101 7.836 -6.620 -1.571 1662 2HB LEU 101 2HB LEU 101 7.420 -5.153 -2.433 1663 HG LEU 101 HG LEU 101 7.468 -7.308 -3.774 1664 1HD1 LEU 101 1HD1 LEU 101 7.945 -6.178 -5.717 1665 2HD1 LEU 101 2HD1 LEU 101 7.695 -4.824 -4.589 1666 3HD1 LEU 101 3HD1 LEU 101 9.346 -5.332 -5.017 1667 1HD2 LEU 101 1HD2 LEU 101 9.722 -7.968 -2.658 1668 2HD2 LEU 101 2HD2 LEU 101 9.441 -8.357 -4.372 1669 3HD2 LEU 101 3HD2 LEU 101 10.447 -6.957 -3.931 1670 H VAL 102 H VAL 102 10.553 -3.408 -3.258 1671 HA VAL 102 HA VAL 102 9.462 -1.259 -1.581 1672 HB VAL 102 HB VAL 102 11.333 0.082 -2.459 1673 1HG1 VAL 102 1HG1 VAL 102 11.624 -0.953 -0.311 1674 2HG1 VAL 102 2HG1 VAL 102 12.050 -2.512 -1.057 1675 3HG1 VAL 102 3HG1 VAL 102 13.151 -1.121 -1.209 1676 1HG2 VAL 102 1HG2 VAL 102 13.059 -2.019 -3.372 1677 2HG2 VAL 102 2HG2 VAL 102 11.558 -2.053 -4.328 1678 3HG2 VAL 102 3HG2 VAL 102 12.520 -0.558 -4.234 1679 H ILE 103 H ILE 103 7.788 -0.161 -2.449 1680 HA ILE 103 HA ILE 103 7.836 0.335 -5.314 1681 HB ILE 103 HB ILE 103 5.506 -0.960 -3.895 1682 1HG1 ILE 103 1HG1 ILE 103 7.399 -2.490 -4.420 1683 2HG1 ILE 103 2HG1 ILE 103 5.907 -2.890 -5.249 1684 1HG2 ILE 103 1HG2 ILE 103 4.826 -1.032 -6.490 1685 2HG2 ILE 103 2HG2 ILE 103 4.357 0.289 -5.393 1686 3HG2 ILE 103 3HG2 ILE 103 5.755 0.486 -6.477 1687 1HD1 ILE 103 1HD1 ILE 103 7.428 -1.017 -6.871 1688 2HD1 ILE 103 2HD1 ILE 103 8.452 -2.401 -6.419 1689 3HD1 ILE 103 3HD1 ILE 103 6.910 -2.673 -7.266 1690 H ASP 104 H ASP 104 6.631 2.224 -5.926 1691 HA ASP 104 HA ASP 104 6.052 3.877 -3.600 1692 1HB ASP 104 1HB ASP 104 7.730 4.347 -5.780 1693 2HB ASP 104 2HB ASP 104 6.272 5.198 -6.249 1694 H TYR 105 H TYR 105 4.014 5.022 -3.562 1695 HA TYR 105 HA TYR 105 2.232 4.553 -5.840 1696 1HB TYR 105 1HB TYR 105 1.421 2.906 -4.329 1697 2HB TYR 105 2HB TYR 105 2.092 3.727 -2.934 1698 HD1 TYR 105 HD1 TYR 105 0.212 3.714 -1.488 1699 HD2 TYR 105 HD2 TYR 105 -0.187 5.239 -5.465 1700 HE1 TYR 105 HE1 TYR 105 -2.094 4.619 -0.917 1701 HE2 TYR 105 HE2 TYR 105 -2.492 6.139 -4.881 1702 HH TYR 105 HH TYR 105 -3.964 6.438 -3.330 1703 H LYS 106 H LYS 106 1.483 6.481 -6.548 1704 HA LYS 106 HA LYS 106 1.209 8.603 -4.534 1705 1HB LYS 106 1HB LYS 106 2.726 8.546 -6.937 1706 2HB LYS 106 2HB LYS 106 1.380 9.633 -7.213 1707 1HG LYS 106 1HG LYS 106 2.152 10.346 -4.642 1708 2HG LYS 106 2HG LYS 106 3.690 9.917 -5.364 1709 1HD LYS 106 1HD LYS 106 2.082 11.514 -7.225 1710 2HD LYS 106 2HD LYS 106 2.273 12.349 -5.696 1711 1HE LYS 106 1HE LYS 106 4.660 12.340 -5.845 1712 2HE LYS 106 2HE LYS 106 4.673 11.070 -7.052 1713 1HZ LYS 106 1HZ LYS 106 4.797 12.730 -8.487 1714 2HZ LYS 106 2HZ LYS 106 3.214 13.016 -8.203 1715 3HZ LYS 106 3HZ LYS 106 4.354 13.867 -7.402 1716 HA PRO 107 HA PRO 107 -2.970 8.763 -5.595 1717 1HB PRO 107 1HB PRO 107 -3.616 11.348 -4.987 1718 2HB PRO 107 2HB PRO 107 -3.464 10.089 -3.778 1719 1HG PRO 107 1HG PRO 107 -1.597 12.294 -4.401 1720 2HG PRO 107 2HG PRO 107 -1.682 11.303 -2.958 1721 1HD PRO 107 1HD PRO 107 0.226 11.074 -5.087 1722 2HD PRO 107 2HD PRO 107 0.068 10.012 -3.703 1723 H THR 108 H THR 108 -3.095 8.254 -7.755 1724 HA THR 108 HA THR 108 -3.216 10.667 -9.443 1725 HB THR 108 HB THR 108 -1.977 7.918 -9.915 1726 HG1 THR 108 HG1 THR 108 -0.781 9.815 -9.018 1727 1HG2 THR 108 1HG2 THR 108 -3.481 9.282 -11.862 1728 2HG2 THR 108 2HG2 THR 108 -1.825 9.881 -12.120 1729 3HG2 THR 108 3HG2 THR 108 -2.161 8.135 -12.192 1730 H SER 109 H SER 109 -5.509 10.671 -8.678 1731 HA SER 109 HA SER 109 -7.091 8.502 -9.654 1732 1HB SER 109 1HB SER 109 -8.997 10.076 -8.858 1733 2HB SER 109 2HB SER 109 -7.921 9.414 -7.643 1734 HG SER 109 HG SER 109 -6.929 11.374 -7.365 1735 H VAL 110 H VAL 110 -9.010 8.939 -11.141 1736 HA VAL 110 HA VAL 110 -8.113 10.696 -13.291 1737 HB VAL 110 HB VAL 110 -10.106 8.429 -13.147 1738 1HG1 VAL 110 1HG1 VAL 110 -11.082 9.779 -14.769 1739 2HG1 VAL 110 2HG1 VAL 110 -9.518 10.408 -15.340 1740 3HG1 VAL 110 3HG1 VAL 110 -10.007 8.743 -15.738 1741 1HG2 VAL 110 1HG2 VAL 110 -7.665 7.855 -13.098 1742 2HG2 VAL 110 2HG2 VAL 110 -8.541 7.206 -14.505 1743 3HG2 VAL 110 3HG2 VAL 110 -7.499 8.638 -14.687 1744 H SER 111 H SER 111 -9.421 12.355 -14.149 1745 HA SER 111 HA SER 111 -11.113 13.545 -12.252 1746 1HB SER 111 1HB SER 111 -11.597 14.855 -14.671 1747 2HB SER 111 2HB SER 111 -10.379 15.292 -13.489 1748 HG SER 111 HG SER 111 -10.065 14.206 -16.018 1749 H LEU 112 H LEU 112 -13.386 13.654 -12.163 1750 HA LEU 112 HA LEU 112 -14.865 12.401 -14.335 1751 1HB LEU 112 1HB LEU 112 -16.172 11.060 -12.724 1752 2HB LEU 112 2HB LEU 112 -14.509 10.542 -12.918 1753 HG LEU 112 HG LEU 112 -14.429 12.306 -10.746 1754 1HD1 LEU 112 1HD1 LEU 112 -16.941 10.629 -10.683 1755 2HD1 LEU 112 2HD1 LEU 112 -16.142 11.235 -9.212 1756 3HD1 LEU 112 3HD1 LEU 112 -16.767 12.381 -10.423 1757 1HD2 LEU 112 1HD2 LEU 112 -13.068 10.599 -10.293 1758 2HD2 LEU 112 2HD2 LEU 112 -14.502 9.781 -9.627 1759 3HD2 LEU 112 3HD2 LEU 112 -14.000 9.471 -11.307 Start of MODEL 14 1 1H GLY 1 1H GLY 1 -7.149 23.982 1.688 2 1HA GLY 1 1HA GLY 1 -7.447 21.754 0.283 3 2HA GLY 1 2HA GLY 1 -8.016 21.888 1.935 4 H SER 2 H SER 2 -9.753 20.382 1.548 5 HA SER 2 HA SER 2 -12.094 21.670 0.665 6 1HB SER 2 1HB SER 2 -10.669 20.414 -1.387 7 2HB SER 2 2HB SER 2 -11.842 19.196 -0.927 8 HG SER 2 HG SER 2 -13.040 20.362 -2.322 9 H HIS 3 H HIS 3 -10.572 18.383 1.040 10 HA HIS 3 HA HIS 3 -12.868 17.650 2.692 11 1HB HIS 3 1HB HIS 3 -11.601 16.332 0.579 12 2HB HIS 3 2HB HIS 3 -11.026 15.495 2.008 13 HD1 HIS 3 HD1 HIS 3 -13.371 14.813 -0.345 14 HD2 HIS 3 HD2 HIS 3 -13.766 15.385 3.792 15 HE1 HIS 3 HE1 HIS 3 -15.536 13.646 0.334 16 HE2 HIS 3 HE2 HIS 3 -15.697 13.985 2.894 17 H MET 4 H MET 4 -12.577 17.866 4.849 18 HA MET 4 HA MET 4 -10.190 18.474 6.010 19 1HB MET 4 1HB MET 4 -12.902 17.973 6.791 20 2HB MET 4 2HB MET 4 -11.926 16.948 7.825 21 1HG MET 4 1HG MET 4 -11.432 18.761 9.099 22 2HG MET 4 2HG MET 4 -10.562 19.449 7.743 23 1HE MET 4 1HE MET 4 -12.780 22.414 9.027 24 2HE MET 4 2HE MET 4 -12.227 21.089 10.079 25 3HE MET 4 3HE MET 4 -11.136 21.757 8.842 26 H GLU 5 H GLU 5 -9.280 17.038 7.992 27 HA GLU 5 HA GLU 5 -8.291 14.688 6.699 28 1HB GLU 5 1HB GLU 5 -7.397 16.505 8.758 29 2HB GLU 5 2HB GLU 5 -7.362 14.879 9.410 30 1HG GLU 5 1HG GLU 5 -5.336 14.728 8.358 31 2HG GLU 5 2HG GLU 5 -6.288 14.427 6.918 32 H GLU 6 H GLU 6 -9.035 12.625 7.004 33 HA GLU 6 HA GLU 6 -10.957 12.294 9.163 34 1HB GLU 6 1HB GLU 6 -10.576 10.884 6.500 35 2HB GLU 6 2HB GLU 6 -11.551 10.170 7.769 36 1HG GLU 6 1HG GLU 6 -13.258 11.683 7.495 37 2HG GLU 6 2HG GLU 6 -12.164 13.034 7.274 38 H ALA 7 H ALA 7 -10.323 11.154 10.940 39 HA ALA 7 HA ALA 7 -7.960 9.443 10.636 40 1HB ALA 7 1HB ALA 7 -7.262 10.539 12.467 41 2HB ALA 7 2HB ALA 7 -8.804 11.423 12.563 42 3HB ALA 7 3HB ALA 7 -8.630 9.846 13.371 43 H LYS 8 H LYS 8 -7.959 7.348 11.757 44 HA LYS 8 HA LYS 8 -8.886 5.486 12.565 45 1HB LYS 8 1HB LYS 8 -10.507 7.156 13.749 46 2HB LYS 8 2HB LYS 8 -11.659 6.658 12.527 47 1HG LYS 8 1HG LYS 8 -12.114 4.830 13.787 48 2HG LYS 8 2HG LYS 8 -10.506 4.236 13.423 49 1HD LYS 8 1HD LYS 8 -9.575 5.195 15.424 50 2HD LYS 8 2HD LYS 8 -10.973 6.220 15.682 51 1HE LYS 8 1HE LYS 8 -12.378 4.294 16.230 52 2HE LYS 8 2HE LYS 8 -11.123 3.172 15.745 53 1HZ LYS 8 1HZ LYS 8 -10.328 5.079 17.733 54 2HZ LYS 8 2HZ LYS 8 -11.470 4.020 18.225 55 3HZ LYS 8 3HZ LYS 8 -10.041 3.473 17.655 56 H GLY 9 H GLY 9 -11.071 7.148 10.187 57 1HA GLY 9 1HA GLY 9 -10.650 4.882 8.368 58 2HA GLY 9 2HA GLY 9 -12.289 5.298 8.828 59 HA PRO 10 HA PRO 10 -12.768 4.741 6.973 60 1HB PRO 10 1HB PRO 10 -12.892 4.296 4.280 61 2HB PRO 10 2HB PRO 10 -14.143 5.139 5.170 62 1HG PRO 10 1HG PRO 10 -12.084 6.251 3.364 63 2HG PRO 10 2HG PRO 10 -13.575 6.989 3.915 64 1HD PRO 10 1HD PRO 10 -10.926 7.560 4.858 65 2HD PRO 10 2HD PRO 10 -12.426 8.211 5.488 66 H VAL 11 H VAL 11 -12.299 2.579 5.480 67 HA VAL 11 HA VAL 11 -9.488 2.154 6.120 68 HB VAL 11 HB VAL 11 -11.863 0.372 5.627 69 1HG1 VAL 11 1HG1 VAL 11 -8.974 -0.527 5.902 70 2HG1 VAL 11 2HG1 VAL 11 -10.406 -1.582 5.830 71 3HG1 VAL 11 3HG1 VAL 11 -9.950 -0.603 4.415 72 1HG2 VAL 11 1HG2 VAL 11 -11.817 -0.060 7.857 73 2HG2 VAL 11 2HG2 VAL 11 -10.042 0.033 7.952 74 3HG2 VAL 11 3HG2 VAL 11 -11.011 1.526 7.914 75 H LYS 12 H LYS 12 -7.922 1.790 4.586 76 HA LYS 12 HA LYS 12 -8.832 2.030 1.815 77 1HB LYS 12 1HB LYS 12 -6.985 3.511 3.166 78 2HB LYS 12 2HB LYS 12 -5.952 2.290 2.451 79 1HG LYS 12 1HG LYS 12 -6.427 2.952 0.266 80 2HG LYS 12 2HG LYS 12 -8.043 3.500 0.663 81 1HD LYS 12 1HD LYS 12 -6.496 5.248 2.159 82 2HD LYS 12 2HD LYS 12 -5.464 4.982 0.768 83 1HE LYS 12 1HE LYS 12 -8.413 5.748 0.545 84 2HE LYS 12 2HE LYS 12 -7.110 6.919 0.532 85 1HZ LYS 12 1HZ LYS 12 -6.346 5.086 -1.293 86 2HZ LYS 12 2HZ LYS 12 -7.959 5.174 -1.530 87 3HZ LYS 12 3HZ LYS 12 -7.045 6.524 -1.626 88 H HIS 13 H HIS 13 -8.995 0.181 0.677 89 HA HIS 13 HA HIS 13 -7.555 -2.131 1.657 90 1HB HIS 13 1HB HIS 13 -9.438 -3.141 1.065 91 2HB HIS 13 2HB HIS 13 -10.056 -1.660 0.361 92 HD1 HIS 13 HD1 HIS 13 -9.627 -4.992 -0.587 93 HD2 HIS 13 HD2 HIS 13 -8.564 -1.369 -2.414 94 HE1 HIS 13 HE1 HIS 13 -9.333 -5.503 -3.069 95 HE2 HIS 13 HE2 HIS 13 -8.735 -3.228 -4.148 96 H VAL 14 H VAL 14 -5.981 -3.273 0.470 97 HA VAL 14 HA VAL 14 -4.909 -1.749 -1.798 98 HB VAL 14 HB VAL 14 -3.643 -3.473 0.322 99 1HG1 VAL 14 1HG1 VAL 14 -2.464 -2.601 -2.331 100 2HG1 VAL 14 2HG1 VAL 14 -1.479 -3.099 -0.934 101 3HG1 VAL 14 3HG1 VAL 14 -2.609 -4.252 -1.683 102 1HG2 VAL 14 1HG2 VAL 14 -4.110 -0.848 0.395 103 2HG2 VAL 14 2HG2 VAL 14 -2.630 -1.564 1.077 104 3HG2 VAL 14 3HG2 VAL 14 -2.593 -0.809 -0.535 105 H LEU 15 H LEU 15 -4.843 -2.693 -3.791 106 HA LEU 15 HA LEU 15 -5.209 -5.594 -3.894 107 1HB LEU 15 1HB LEU 15 -7.367 -5.079 -4.346 108 2HB LEU 15 2HB LEU 15 -6.989 -3.486 -4.973 109 HG LEU 15 HG LEU 15 -6.131 -4.546 -7.062 110 1HD1 LEU 15 1HD1 LEU 15 -5.581 -6.750 -6.042 111 2HD1 LEU 15 2HD1 LEU 15 -7.323 -7.107 -5.969 112 3HD1 LEU 15 3HD1 LEU 15 -6.530 -6.865 -7.544 113 1HD2 LEU 15 1HD2 LEU 15 -8.791 -5.647 -7.155 114 2HD2 LEU 15 2HD2 LEU 15 -8.788 -4.125 -6.233 115 3HD2 LEU 15 3HD2 LEU 15 -8.150 -4.160 -7.894 116 H LEU 16 H LEU 16 -3.496 -6.446 -4.933 117 HA LEU 16 HA LEU 16 -2.354 -4.843 -7.112 118 1HB LEU 16 1HB LEU 16 -0.153 -5.632 -6.490 119 2HB LEU 16 2HB LEU 16 -0.896 -4.712 -5.197 120 HG LEU 16 HG LEU 16 -1.553 -7.404 -4.674 121 1HD1 LEU 16 1HD1 LEU 16 1.086 -8.028 -4.468 122 2HD1 LEU 16 2HD1 LEU 16 0.014 -8.572 -5.781 123 3HD1 LEU 16 3HD1 LEU 16 1.061 -7.152 -6.018 124 1HD2 LEU 16 1HD2 LEU 16 -1.182 -6.426 -2.709 125 2HD2 LEU 16 2HD2 LEU 16 0.546 -6.761 -2.976 126 3HD2 LEU 16 3HD2 LEU 16 -0.137 -5.181 -3.434 127 H ALA 17 H ALA 17 -2.067 -5.893 -9.045 128 HA ALA 17 HA ALA 17 -2.080 -8.783 -9.080 129 1HB ALA 17 1HB ALA 17 -4.020 -8.981 -10.507 130 2HB ALA 17 2HB ALA 17 -4.503 -8.072 -9.056 131 3HB ALA 17 3HB ALA 17 -4.206 -7.213 -10.586 132 H SER 18 H SER 18 -1.166 -9.620 -11.025 133 HA SER 18 HA SER 18 -0.096 -7.521 -12.746 134 1HB SER 18 1HB SER 18 1.505 -8.887 -11.160 135 2HB SER 18 2HB SER 18 1.288 -10.183 -12.319 136 HG SER 18 HG SER 18 2.206 -7.513 -12.976 137 H PHE 19 H PHE 19 -0.083 -7.946 -15.026 138 HA PHE 19 HA PHE 19 -2.013 -9.941 -15.807 139 1HB PHE 19 1HB PHE 19 -0.310 -7.961 -17.432 140 2HB PHE 19 2HB PHE 19 -1.771 -8.748 -17.995 141 HD1 PHE 19 HD1 PHE 19 -0.409 -5.980 -16.115 142 HD2 PHE 19 HD2 PHE 19 -3.972 -8.105 -17.010 143 HE1 PHE 19 HE1 PHE 19 -1.773 -4.043 -15.285 144 HE2 PHE 19 HE2 PHE 19 -5.335 -6.168 -16.179 145 HZ PHE 19 HZ PHE 19 -4.220 -4.160 -15.326 146 H LYS 20 H LYS 20 -1.400 -12.004 -16.241 147 HA LYS 20 HA LYS 20 1.152 -12.919 -16.388 148 1HB LYS 20 1HB LYS 20 -0.935 -14.268 -16.143 149 2HB LYS 20 2HB LYS 20 -1.239 -14.067 -17.856 150 1HG LYS 20 1HG LYS 20 0.669 -15.346 -18.481 151 2HG LYS 20 2HG LYS 20 1.439 -15.142 -16.920 152 1HD LYS 20 1HD LYS 20 -1.213 -16.606 -17.123 153 2HD LYS 20 2HD LYS 20 0.279 -17.442 -17.504 154 1HE LYS 20 1HE LYS 20 0.506 -15.916 -14.995 155 2HE LYS 20 2HE LYS 20 -0.817 -17.063 -14.934 156 1HZ LYS 20 1HZ LYS 20 1.948 -17.564 -14.897 157 2HZ LYS 20 2HZ LYS 20 0.714 -18.585 -14.576 158 3HZ LYS 20 3HZ LYS 20 1.244 -18.402 -16.110 159 H ASP 21 H ASP 21 2.227 -13.986 -18.394 160 HA ASP 21 HA ASP 21 2.430 -11.868 -20.333 161 1HB ASP 21 1HB ASP 21 4.125 -14.103 -19.354 162 2HB ASP 21 2HB ASP 21 4.230 -13.856 -21.086 163 H GLY 22 H GLY 22 0.921 -12.063 -22.013 164 1HA GLY 22 1HA GLY 22 0.957 -13.769 -24.040 165 2HA GLY 22 2HA GLY 22 0.056 -14.713 -22.870 166 H VAL 23 H VAL 23 -0.967 -12.030 -21.647 167 HA VAL 23 HA VAL 23 -3.291 -11.904 -23.340 168 HB VAL 23 HB VAL 23 -3.324 -11.996 -20.841 169 1HG1 VAL 23 1HG1 VAL 23 -1.440 -9.978 -20.985 170 2HG1 VAL 23 2HG1 VAL 23 -2.921 -9.106 -20.521 171 3HG1 VAL 23 3HG1 VAL 23 -2.339 -10.464 -19.527 172 1HG2 VAL 23 1HG2 VAL 23 -5.084 -10.880 -22.524 173 2HG2 VAL 23 2HG2 VAL 23 -5.322 -10.895 -20.760 174 3HG2 VAL 23 3HG2 VAL 23 -4.683 -9.438 -21.559 175 H SER 24 H SER 24 -3.887 -10.236 -24.700 176 HA SER 24 HA SER 24 -1.961 -8.729 -25.852 177 1HB SER 24 1HB SER 24 -4.882 -7.891 -25.611 178 2HB SER 24 2HB SER 24 -3.771 -7.466 -26.898 179 HG SER 24 HG SER 24 -5.058 -9.965 -26.365 180 HA PRO 25 HA PRO 25 -1.309 -5.387 -23.139 181 1HB PRO 25 1HB PRO 25 -0.278 -3.510 -24.837 182 2HB PRO 25 2HB PRO 25 0.669 -4.828 -24.177 183 1HG PRO 25 1HG PRO 25 -0.416 -4.511 -26.909 184 2HG PRO 25 2HG PRO 25 0.860 -5.575 -26.351 185 1HD PRO 25 1HD PRO 25 -1.842 -6.312 -26.970 186 2HD PRO 25 2HD PRO 25 -0.599 -7.351 -26.303 187 H GLU 26 H GLU 26 -3.046 -4.614 -26.082 188 HA GLU 26 HA GLU 26 -4.054 -2.210 -25.175 189 1HB GLU 26 1HB GLU 26 -5.809 -2.561 -26.946 190 2HB GLU 26 2HB GLU 26 -4.171 -2.800 -27.522 191 1HG GLU 26 1HG GLU 26 -4.404 -5.146 -27.648 192 2HG GLU 26 2HG GLU 26 -5.696 -5.188 -26.465 193 H LYS 27 H LYS 27 -5.054 -5.586 -24.612 194 HA LYS 27 HA LYS 27 -7.629 -5.080 -23.673 195 1HB LYS 27 1HB LYS 27 -6.448 -7.297 -24.313 196 2HB LYS 27 2HB LYS 27 -5.867 -7.309 -22.661 197 1HG LYS 27 1HG LYS 27 -7.855 -8.183 -22.014 198 2HG LYS 27 2HG LYS 27 -8.625 -6.672 -22.455 199 1HD LYS 27 1HD LYS 27 -8.285 -7.922 -24.932 200 2HD LYS 27 2HD LYS 27 -8.637 -9.272 -23.872 201 1HE LYS 27 1HE LYS 27 -10.579 -7.670 -22.975 202 2HE LYS 27 2HE LYS 27 -10.362 -6.872 -24.520 203 1HZ LYS 27 1HZ LYS 27 -11.988 -8.756 -24.432 204 2HZ LYS 27 2HZ LYS 27 -10.897 -8.819 -25.645 205 3HZ LYS 27 3HZ LYS 27 -10.714 -9.773 -24.333 206 H ILE 28 H ILE 28 -4.406 -4.844 -22.148 207 HA ILE 28 HA ILE 28 -5.263 -4.694 -19.505 208 HB ILE 28 HB ILE 28 -2.869 -3.455 -20.866 209 1HG1 ILE 28 1HG1 ILE 28 -2.995 -6.045 -19.309 210 2HG1 ILE 28 2HG1 ILE 28 -3.229 -5.979 -21.045 211 1HG2 ILE 28 1HG2 ILE 28 -3.772 -3.479 -18.049 212 2HG2 ILE 28 2HG2 ILE 28 -2.069 -3.919 -18.325 213 3HG2 ILE 28 3HG2 ILE 28 -2.691 -2.356 -18.908 214 1HD1 ILE 28 1HD1 ILE 28 -0.938 -4.452 -20.750 215 2HD1 ILE 28 2HD1 ILE 28 -0.741 -5.669 -19.466 216 3HD1 ILE 28 3HD1 ILE 28 -0.959 -6.185 -21.155 217 H GLU 29 H GLU 29 -4.962 -2.200 -22.084 218 HA GLU 29 HA GLU 29 -5.539 -0.068 -20.372 219 1HB GLU 29 1HB GLU 29 -4.733 -0.375 -23.023 220 2HB GLU 29 2HB GLU 29 -6.348 0.283 -23.194 221 1HG GLU 29 1HG GLU 29 -4.917 1.686 -21.067 222 2HG GLU 29 2HG GLU 29 -3.967 1.701 -22.539 223 H GLU 30 H GLU 30 -7.558 -2.088 -22.595 224 HA GLU 30 HA GLU 30 -9.899 -0.672 -22.207 225 1HB GLU 30 1HB GLU 30 -9.186 -3.434 -23.158 226 2HB GLU 30 2HB GLU 30 -10.867 -3.121 -22.776 227 1HG GLU 30 1HG GLU 30 -9.931 -0.865 -24.282 228 2HG GLU 30 2HG GLU 30 -9.357 -2.297 -25.113 229 H LEU 31 H LEU 31 -8.212 -3.062 -20.217 230 HA LEU 31 HA LEU 31 -10.476 -3.721 -18.621 231 1HB LEU 31 1HB LEU 31 -7.622 -4.390 -18.766 232 2HB LEU 31 2HB LEU 31 -8.258 -4.344 -17.133 233 HG LEU 31 HG LEU 31 -10.083 -5.795 -18.834 234 1HD1 LEU 31 1HD1 LEU 31 -8.410 -6.419 -20.328 235 2HD1 LEU 31 2HD1 LEU 31 -7.173 -6.535 -19.053 236 3HD1 LEU 31 3HD1 LEU 31 -8.452 -7.767 -19.167 237 1HD2 LEU 31 1HD2 LEU 31 -10.306 -6.322 -16.629 238 2HD2 LEU 31 2HD2 LEU 31 -9.225 -7.644 -17.132 239 3HD2 LEU 31 3HD2 LEU 31 -8.559 -6.215 -16.304 240 H ILE 32 H ILE 32 -7.669 -1.464 -18.338 241 HA ILE 32 HA ILE 32 -8.424 -0.547 -15.775 242 HB ILE 32 HB ILE 32 -6.614 0.573 -17.913 243 1HG1 ILE 32 1HG1 ILE 32 -6.088 -1.002 -15.378 244 2HG1 ILE 32 2HG1 ILE 32 -5.856 -1.550 -17.026 245 1HG2 ILE 32 1HG2 ILE 32 -7.588 2.313 -16.344 246 2HG2 ILE 32 2HG2 ILE 32 -6.720 1.480 -15.032 247 3HG2 ILE 32 3HG2 ILE 32 -5.813 2.190 -16.389 248 1HD1 ILE 32 1HD1 ILE 32 -4.180 0.315 -17.365 249 2HD1 ILE 32 2HD1 ILE 32 -4.351 0.713 -15.639 250 3HD1 ILE 32 3HD1 ILE 32 -3.694 -0.868 -16.127 251 H LYS 33 H LYS 33 -8.908 0.712 -19.136 252 HA LYS 33 HA LYS 33 -10.191 3.051 -18.455 253 1HB LYS 33 1HB LYS 33 -10.447 3.274 -20.676 254 2HB LYS 33 2HB LYS 33 -9.444 1.841 -20.767 255 1HG LYS 33 1HG LYS 33 -11.486 0.403 -20.803 256 2HG LYS 33 2HG LYS 33 -12.499 1.828 -20.686 257 1HD LYS 33 1HD LYS 33 -10.493 1.895 -22.897 258 2HD LYS 33 2HD LYS 33 -11.727 0.662 -23.061 259 1HE LYS 33 1HE LYS 33 -12.468 3.536 -22.387 260 2HE LYS 33 2HE LYS 33 -12.214 3.036 -24.048 261 1HZ LYS 33 1HZ LYS 33 -14.337 2.325 -22.242 262 2HZ LYS 33 2HZ LYS 33 -14.370 2.526 -23.862 263 3HZ LYS 33 3HZ LYS 33 -13.819 1.128 -23.224 264 H GLY 34 H GLY 34 -11.365 -0.315 -18.497 265 1HA GLY 34 1HA GLY 34 -14.131 0.346 -18.282 266 2HA GLY 34 2HA GLY 34 -13.376 -1.209 -17.991 267 H TYR 35 H TYR 35 -11.647 -0.870 -15.911 268 HA TYR 35 HA TYR 35 -13.159 -0.983 -13.677 269 1HB TYR 35 1HB TYR 35 -10.967 -1.449 -13.059 270 2HB TYR 35 2HB TYR 35 -10.380 -0.680 -14.521 271 HD1 TYR 35 HD1 TYR 35 -8.728 0.885 -14.118 272 HD2 TYR 35 HD2 TYR 35 -11.951 0.539 -11.326 273 HE1 TYR 35 HE1 TYR 35 -7.731 2.763 -12.723 274 HE2 TYR 35 HE2 TYR 35 -10.944 2.418 -9.941 275 HH TYR 35 HH TYR 35 -7.830 3.430 -10.272 276 H ALA 36 H ALA 36 -11.775 1.964 -15.213 277 HA ALA 36 HA ALA 36 -12.497 3.676 -13.074 278 1HB ALA 36 1HB ALA 36 -12.031 5.450 -14.815 279 2HB ALA 36 2HB ALA 36 -10.709 4.282 -14.577 280 3HB ALA 36 3HB ALA 36 -11.778 4.139 -15.993 281 H ASN 37 H ASN 37 -14.093 2.459 -16.032 282 HA ASN 37 HA ASN 37 -16.201 4.330 -15.865 283 1HB ASN 37 1HB ASN 37 -15.276 2.645 -17.829 284 2HB ASN 37 2HB ASN 37 -16.631 1.697 -17.251 285 1HD2 ASN 37 1HD2 ASN 37 -18.604 2.163 -17.911 286 2HD2 ASN 37 2HD2 ASN 37 -19.095 3.575 -18.786 287 H LEU 38 H LEU 38 -15.442 1.074 -14.621 288 HA LEU 38 HA LEU 38 -18.045 0.263 -13.988 289 1HB LEU 38 1HB LEU 38 -15.288 -0.568 -13.410 290 2HB LEU 38 2HB LEU 38 -16.435 -0.970 -12.147 291 HG LEU 38 HG LEU 38 -16.299 -2.854 -13.570 292 1HD1 LEU 38 1HD1 LEU 38 -18.810 -1.586 -14.624 293 2HD1 LEU 38 2HD1 LEU 38 -18.525 -3.248 -14.054 294 3HD1 LEU 38 3HD1 LEU 38 -18.626 -1.910 -12.884 295 1HD2 LEU 38 1HD2 LEU 38 -16.460 -2.854 -15.943 296 2HD2 LEU 38 2HD2 LEU 38 -16.935 -1.139 -15.979 297 3HD2 LEU 38 3HD2 LEU 38 -15.284 -1.594 -15.497 298 H VAL 39 H VAL 39 -15.496 1.961 -12.050 299 HA VAL 39 HA VAL 39 -17.096 2.169 -9.748 300 HB VAL 39 HB VAL 39 -15.411 3.876 -9.095 301 1HG1 VAL 39 1HG1 VAL 39 -13.396 2.154 -9.578 302 2HG1 VAL 39 2HG1 VAL 39 -14.664 1.854 -8.365 303 3HG1 VAL 39 3HG1 VAL 39 -14.777 1.104 -9.976 304 1HG2 VAL 39 1HG2 VAL 39 -15.105 4.574 -11.599 305 2HG2 VAL 39 2HG2 VAL 39 -13.715 4.626 -10.489 306 3HG2 VAL 39 3HG2 VAL 39 -13.898 3.267 -11.623 307 H ASN 40 H ASN 40 -16.762 4.094 -12.730 308 HA ASN 40 HA ASN 40 -17.952 6.400 -11.787 309 1HB ASN 40 1HB ASN 40 -16.775 6.303 -13.958 310 2HB ASN 40 2HB ASN 40 -17.931 5.142 -14.579 311 1HD2 ASN 40 1HD2 ASN 40 -18.461 6.469 -16.297 312 2HD2 ASN 40 2HD2 ASN 40 -19.456 7.877 -16.139 313 H LEU 41 H LEU 41 -19.204 3.238 -12.825 314 HA LEU 41 HA LEU 41 -21.914 4.203 -13.077 315 1HB LEU 41 1HB LEU 41 -20.390 1.838 -13.815 316 2HB LEU 41 2HB LEU 41 -21.930 1.423 -13.089 317 HG LEU 41 HG LEU 41 -22.169 1.523 -15.480 318 1HD1 LEU 41 1HD1 LEU 41 -23.517 4.075 -14.763 319 2HD1 LEU 41 2HD1 LEU 41 -24.165 2.599 -15.517 320 3HD1 LEU 41 3HD1 LEU 41 -23.880 2.650 -13.761 321 1HD2 LEU 41 1HD2 LEU 41 -20.277 3.546 -15.389 322 2HD2 LEU 41 2HD2 LEU 41 -21.171 2.990 -16.825 323 3HD2 LEU 41 3HD2 LEU 41 -21.768 4.381 -15.888 324 H ILE 42 H ILE 42 -20.106 1.867 -10.959 325 HA ILE 42 HA ILE 42 -22.097 1.271 -9.216 326 HB ILE 42 HB ILE 42 -19.166 1.715 -8.644 327 1HG1 ILE 42 1HG1 ILE 42 -20.317 -1.002 -8.989 328 2HG1 ILE 42 2HG1 ILE 42 -20.206 -0.024 -10.438 329 1HG2 ILE 42 1HG2 ILE 42 -21.124 0.033 -7.063 330 2HG2 ILE 42 2HG2 ILE 42 -19.421 0.383 -6.682 331 3HG2 ILE 42 3HG2 ILE 42 -20.634 1.683 -6.609 332 1HD1 ILE 42 1HD1 ILE 42 -18.090 -1.395 -9.026 333 2HD1 ILE 42 2HD1 ILE 42 -17.999 -0.501 -10.562 334 3HD1 ILE 42 3HD1 ILE 42 -17.748 0.352 -9.020 335 H GLU 43 H GLU 43 -23.365 2.372 -7.816 336 HA GLU 43 HA GLU 43 -22.994 5.156 -7.592 337 1HB GLU 43 1HB GLU 43 -25.105 3.314 -7.224 338 2HB GLU 43 2HB GLU 43 -24.854 4.016 -5.638 339 1HG GLU 43 1HG GLU 43 -24.763 6.311 -7.007 340 2HG GLU 43 2HG GLU 43 -25.634 5.389 -8.216 341 HA PRO 44 HA PRO 44 -21.810 3.997 -3.150 342 1HB PRO 44 1HB PRO 44 -21.464 1.377 -2.454 343 2HB PRO 44 2HB PRO 44 -22.959 2.250 -2.185 344 1HG PRO 44 1HG PRO 44 -22.346 0.215 -4.240 345 2HG PRO 44 2HG PRO 44 -23.910 0.778 -3.685 346 1HD PRO 44 1HD PRO 44 -22.600 1.491 -6.135 347 2HD PRO 44 2HD PRO 44 -24.109 2.141 -5.525 348 H MET 45 H MET 45 -19.979 5.100 -3.930 349 HA MET 45 HA MET 45 -17.685 3.400 -3.689 350 1HB MET 45 1HB MET 45 -18.683 3.818 -6.244 351 2HB MET 45 2HB MET 45 -17.595 5.184 -6.103 352 1HG MET 45 1HG MET 45 -16.182 3.502 -6.972 353 2HG MET 45 2HG MET 45 -15.832 3.431 -5.256 354 1HE MET 45 1HE MET 45 -15.575 0.053 -6.943 355 2HE MET 45 2HE MET 45 -14.776 1.492 -6.266 356 3HE MET 45 3HE MET 45 -15.346 0.198 -5.184 357 H LYS 46 H LYS 46 -16.987 4.594 -1.897 358 HA LYS 46 HA LYS 46 -17.201 7.271 -1.499 359 1HB LYS 46 1HB LYS 46 -16.011 5.131 -0.215 360 2HB LYS 46 2HB LYS 46 -14.643 6.164 -0.575 361 1HG LYS 46 1HG LYS 46 -15.447 6.934 1.539 362 2HG LYS 46 2HG LYS 46 -16.019 8.121 0.385 363 1HD LYS 46 1HD LYS 46 -18.120 6.357 0.326 364 2HD LYS 46 2HD LYS 46 -17.569 6.113 1.971 365 1HE LYS 46 1HE LYS 46 -17.504 8.880 1.779 366 2HE LYS 46 2HE LYS 46 -18.867 8.494 0.746 367 1HZ LYS 46 1HZ LYS 46 -18.834 7.028 3.193 368 2HZ LYS 46 2HZ LYS 46 -18.963 8.642 3.408 369 3HZ LYS 46 3HZ LYS 46 -20.056 7.850 2.488 370 H ALA 47 H ALA 47 -14.135 5.715 -2.682 371 HA ALA 47 HA ALA 47 -13.893 7.551 -4.827 372 1HB ALA 47 1HB ALA 47 -12.548 8.144 -2.206 373 2HB ALA 47 2HB ALA 47 -11.655 8.468 -3.712 374 3HB ALA 47 3HB ALA 47 -13.222 9.260 -3.418 375 H PHE 48 H PHE 48 -11.909 7.107 -6.093 376 HA PHE 48 HA PHE 48 -10.718 4.537 -5.321 377 1HB PHE 48 1HB PHE 48 -12.492 4.872 -7.347 378 2HB PHE 48 2HB PHE 48 -11.088 5.496 -8.190 379 HD1 PHE 48 HD1 PHE 48 -8.945 3.922 -8.034 380 HD2 PHE 48 HD2 PHE 48 -12.953 2.620 -7.534 381 HE1 PHE 48 HE1 PHE 48 -8.258 1.581 -8.623 382 HE2 PHE 48 HE2 PHE 48 -12.266 0.279 -8.123 383 HZ PHE 48 HZ PHE 48 -9.927 -0.213 -8.661 384 H HIS 49 H HIS 49 -8.491 4.357 -5.515 385 HA HIS 49 HA HIS 49 -7.102 6.445 -6.968 386 1HB HIS 49 1HB HIS 49 -7.300 6.351 -4.079 387 2HB HIS 49 2HB HIS 49 -5.634 6.148 -4.582 388 HD1 HIS 49 HD1 HIS 49 -7.780 8.741 -3.586 389 HD2 HIS 49 HD2 HIS 49 -5.124 8.312 -6.804 390 HE1 HIS 49 HE1 HIS 49 -7.237 11.103 -4.385 391 HE2 HIS 49 HE2 HIS 49 -5.559 10.776 -6.327 392 H TRP 50 H TRP 50 -5.127 5.747 -7.841 393 HA TRP 50 HA TRP 50 -4.352 3.004 -7.137 394 1HB TRP 50 1HB TRP 50 -4.103 2.378 -9.383 395 2HB TRP 50 2HB TRP 50 -5.698 3.090 -9.246 396 HD1 TRP 50 HD1 TRP 50 -6.049 5.527 -10.474 397 HE1 TRP 50 HE1 TRP 50 -4.814 6.778 -12.442 398 HE3 TRP 50 HE3 TRP 50 -1.835 2.685 -10.335 399 HZ2 TRP 50 HZ2 TRP 50 -2.270 6.446 -13.692 400 HZ3 TRP 50 HZ3 TRP 50 -0.023 3.215 -11.964 401 HH2 TRP 50 HH2 TRP 50 -0.191 5.021 -13.602 402 H GLY 51 H GLY 51 -2.058 2.628 -7.269 403 1HA GLY 51 1HA GLY 51 -0.385 4.944 -7.938 404 2HA GLY 51 2HA GLY 51 -0.296 4.292 -6.315 405 H LYS 52 H LYS 52 1.487 4.319 -8.956 406 HA LYS 52 HA LYS 52 2.220 1.487 -8.706 407 1HB LYS 52 1HB LYS 52 2.752 1.413 -11.060 408 2HB LYS 52 2HB LYS 52 1.080 1.894 -10.853 409 1HG LYS 52 1HG LYS 52 1.586 4.216 -11.312 410 2HG LYS 52 2HG LYS 52 3.311 3.944 -11.171 411 1HD LYS 52 1HD LYS 52 1.624 2.540 -13.286 412 2HD LYS 52 2HD LYS 52 2.342 4.114 -13.566 413 1HE LYS 52 1HE LYS 52 4.229 2.087 -12.465 414 2HE LYS 52 2HE LYS 52 3.605 1.701 -14.056 415 1HZ LYS 52 1HZ LYS 52 5.575 3.493 -13.460 416 2HZ LYS 52 2HZ LYS 52 4.875 3.261 -14.918 417 3HZ LYS 52 3HZ LYS 52 4.305 4.416 -13.913 418 H ASP 53 H ASP 53 4.519 1.040 -8.919 419 HA ASP 53 HA ASP 53 6.093 2.599 -7.440 420 1HB ASP 53 1HB ASP 53 8.003 1.572 -9.026 421 2HB ASP 53 2HB ASP 53 7.104 0.572 -7.902 422 H VAL 54 H VAL 54 7.670 4.297 -7.860 423 HA VAL 54 HA VAL 54 7.313 5.595 -10.472 424 HB VAL 54 HB VAL 54 7.877 7.680 -9.289 425 1HG1 VAL 54 1HG1 VAL 54 5.553 6.287 -7.928 426 2HG1 VAL 54 2HG1 VAL 54 5.734 8.020 -8.294 427 3HG1 VAL 54 3HG1 VAL 54 5.508 6.850 -9.616 428 1HG2 VAL 54 1HG2 VAL 54 7.346 6.936 -6.589 429 2HG2 VAL 54 2HG2 VAL 54 8.644 5.880 -7.197 430 3HG2 VAL 54 3HG2 VAL 54 8.827 7.648 -7.274 431 H SER 55 H SER 55 9.034 5.386 -11.797 432 HA SER 55 HA SER 55 11.054 4.744 -12.413 433 1HB SER 55 1HB SER 55 11.251 7.263 -10.847 434 2HB SER 55 2HB SER 55 12.787 6.462 -11.110 435 HG SER 55 HG SER 55 11.175 7.833 -12.912 436 H ILE 56 H ILE 56 10.537 2.717 -10.884 437 HA ILE 56 HA ILE 56 12.446 2.620 -8.681 438 HB ILE 56 HB ILE 56 9.929 1.900 -8.644 439 1HG1 ILE 56 1HG1 ILE 56 10.595 0.083 -6.953 440 2HG1 ILE 56 2HG1 ILE 56 12.256 0.464 -7.359 441 1HG2 ILE 56 1HG2 ILE 56 10.673 0.215 -10.620 442 2HG2 ILE 56 2HG2 ILE 56 10.910 -0.836 -9.203 443 3HG2 ILE 56 3HG2 ILE 56 9.321 -0.093 -9.504 444 1HD1 ILE 56 1HD1 ILE 56 11.510 2.970 -6.925 445 2HD1 ILE 56 2HD1 ILE 56 10.183 2.207 -6.017 446 3HD1 ILE 56 3HD1 ILE 56 11.873 1.903 -5.548 447 H GLU 57 H GLU 57 12.329 2.066 -12.006 448 HA GLU 57 HA GLU 57 13.357 0.686 -13.385 449 1HB GLU 57 1HB GLU 57 15.362 1.896 -11.552 450 2HB GLU 57 2HB GLU 57 15.964 0.547 -12.495 451 1HG GLU 57 1HG GLU 57 15.043 1.666 -14.582 452 2HG GLU 57 2HG GLU 57 14.602 3.048 -13.599 453 H ASN 58 H ASN 58 11.894 -1.072 -12.166 454 HA ASN 58 HA ASN 58 11.704 -3.174 -11.661 455 1HB ASN 58 1HB ASN 58 13.786 -3.355 -13.271 456 2HB ASN 58 2HB ASN 58 14.721 -3.588 -11.807 457 1HD2 ASN 58 1HD2 ASN 58 15.276 -5.669 -12.422 458 2HD2 ASN 58 2HD2 ASN 58 14.183 -7.009 -12.326 459 H LEU 59 H LEU 59 11.150 -3.420 -9.486 460 HA LEU 59 HA LEU 59 13.093 -4.061 -7.574 461 1HB LEU 59 1HB LEU 59 12.963 -1.339 -7.977 462 2HB LEU 59 2HB LEU 59 11.881 -1.574 -6.618 463 HG LEU 59 HG LEU 59 13.723 -2.800 -5.434 464 1HD1 LEU 59 1HD1 LEU 59 15.978 -2.710 -6.219 465 2HD1 LEU 59 2HD1 LEU 59 14.976 -3.404 -7.517 466 3HD1 LEU 59 3HD1 LEU 59 15.514 -1.710 -7.617 467 1HD2 LEU 59 1HD2 LEU 59 13.167 -0.180 -5.467 468 2HD2 LEU 59 2HD2 LEU 59 14.471 -0.885 -4.482 469 3HD2 LEU 59 3HD2 LEU 59 14.850 -0.118 -6.043 470 H HIS 60 H HIS 60 10.656 -5.110 -8.732 471 HA HIS 60 HA HIS 60 9.154 -5.339 -6.254 472 1HB HIS 60 1HB HIS 60 7.013 -5.152 -7.458 473 2HB HIS 60 2HB HIS 60 7.927 -3.657 -7.455 474 HD1 HIS 60 HD1 HIS 60 6.940 -6.509 -9.766 475 HD2 HIS 60 HD2 HIS 60 8.610 -2.666 -9.967 476 HE1 HIS 60 HE1 HIS 60 7.004 -5.886 -12.239 477 HE2 HIS 60 HE2 HIS 60 7.989 -3.494 -12.295 478 H GLN 61 H GLN 61 7.795 -7.331 -6.208 479 HA GLN 61 HA GLN 61 9.241 -9.426 -7.480 480 1HB GLN 61 1HB GLN 61 6.741 -9.593 -5.742 481 2HB GLN 61 2HB GLN 61 7.824 -10.916 -6.129 482 1HG GLN 61 1HG GLN 61 8.700 -8.389 -4.653 483 2HG GLN 61 2HG GLN 61 8.213 -9.866 -3.845 484 1HE2 GLN 61 1HE2 GLN 61 10.781 -8.386 -3.979 485 2HE2 GLN 61 2HE2 GLN 61 11.983 -9.529 -4.478 486 H GLY 62 H GLY 62 6.393 -7.525 -8.135 487 1HA GLY 62 1HA GLY 62 5.863 -8.024 -10.624 488 2HA GLY 62 2HA GLY 62 5.305 -9.549 -9.965 489 H TYR 63 H TYR 63 5.103 -6.158 -8.673 490 HA TYR 63 HA TYR 63 2.355 -6.601 -7.959 491 1HB TYR 63 1HB TYR 63 4.491 -4.416 -7.816 492 2HB TYR 63 2HB TYR 63 2.831 -3.988 -7.450 493 HD1 TYR 63 HD1 TYR 63 1.989 -4.289 -5.282 494 HD2 TYR 63 HD2 TYR 63 5.518 -6.400 -6.465 495 HE1 TYR 63 HE1 TYR 63 2.314 -5.099 -2.894 496 HE2 TYR 63 HE2 TYR 63 5.830 -7.203 -4.073 497 HH TYR 63 HH TYR 63 5.080 -7.171 -2.054 498 H THR 64 H THR 64 4.208 -4.685 -10.389 499 HA THR 64 HA THR 64 3.567 -3.727 -12.292 500 HB THR 64 HB THR 64 0.809 -4.976 -12.062 501 HG1 THR 64 HG1 THR 64 3.474 -6.113 -12.188 502 1HG2 THR 64 1HG2 THR 64 0.871 -4.935 -14.365 503 2HG2 THR 64 2HG2 THR 64 2.168 -3.735 -14.151 504 3HG2 THR 64 3HG2 THR 64 2.575 -5.448 -14.408 505 H HIS 65 H HIS 65 0.643 -3.756 -10.136 506 HA HIS 65 HA HIS 65 0.881 -0.941 -9.795 507 1HB HIS 65 1HB HIS 65 -1.516 -1.942 -11.354 508 2HB HIS 65 2HB HIS 65 -1.211 -0.294 -10.842 509 HD1 HIS 65 HD1 HIS 65 0.228 -2.935 -13.195 510 HD2 HIS 65 HD2 HIS 65 0.278 1.218 -12.608 511 HE1 HIS 65 HE1 HIS 65 1.425 -1.942 -15.218 512 HE2 HIS 65 HE2 HIS 65 1.376 0.616 -14.827 513 H ILE 66 H ILE 66 -1.438 -0.219 -8.682 514 HA ILE 66 HA ILE 66 -2.406 -2.411 -7.042 515 HB ILE 66 HB ILE 66 -1.042 0.036 -5.915 516 1HG1 ILE 66 1HG1 ILE 66 -0.321 -2.870 -6.100 517 2HG1 ILE 66 2HG1 ILE 66 0.670 -1.453 -6.385 518 1HG2 ILE 66 1HG2 ILE 66 -3.127 -0.497 -4.703 519 2HG2 ILE 66 2HG2 ILE 66 -2.527 -2.150 -4.432 520 3HG2 ILE 66 3HG2 ILE 66 -1.669 -0.764 -3.718 521 1HD1 ILE 66 1HD1 ILE 66 1.379 -2.414 -4.279 522 2HD1 ILE 66 2HD1 ILE 66 0.488 -0.921 -3.897 523 3HD1 ILE 66 3HD1 ILE 66 -0.299 -2.504 -3.692 524 H PHE 67 H PHE 67 -4.560 -2.181 -6.531 525 HA PHE 67 HA PHE 67 -5.770 0.324 -7.460 526 1HB PHE 67 1HB PHE 67 -6.589 -2.616 -7.284 527 2HB PHE 67 2HB PHE 67 -7.837 -1.389 -7.373 528 HD1 PHE 67 HD1 PHE 67 -8.778 -1.621 -9.480 529 HD2 PHE 67 HD2 PHE 67 -4.550 -1.552 -9.123 530 HE1 PHE 67 HE1 PHE 67 -8.568 -1.588 -11.981 531 HE2 PHE 67 HE2 PHE 67 -4.340 -1.519 -11.624 532 HZ PHE 67 HZ PHE 67 -6.351 -1.537 -13.023 533 H GLU 68 H GLU 68 -6.158 1.677 -5.759 534 HA GLU 68 HA GLU 68 -7.074 0.407 -3.302 535 1HB GLU 68 1HB GLU 68 -5.760 3.118 -3.769 536 2HB GLU 68 2HB GLU 68 -6.389 2.596 -2.219 537 1HG GLU 68 1HG GLU 68 -4.830 0.698 -2.157 538 2HG GLU 68 2HG GLU 68 -4.291 1.030 -3.791 539 H SER 69 H SER 69 -9.219 0.591 -2.831 540 HA SER 69 HA SER 69 -10.588 2.886 -4.003 541 1HB SER 69 1HB SER 69 -11.506 0.005 -3.692 542 2HB SER 69 2HB SER 69 -12.654 1.309 -3.920 543 HG SER 69 HG SER 69 -11.544 0.018 -5.855 544 H THR 70 H THR 70 -11.727 4.173 -2.561 545 HA THR 70 HA THR 70 -11.541 3.474 0.235 546 HB THR 70 HB THR 70 -12.721 5.915 -1.194 547 HG1 THR 70 HG1 THR 70 -10.495 6.686 -0.653 548 1HG2 THR 70 1HG2 THR 70 -13.021 5.348 1.450 549 2HG2 THR 70 2HG2 THR 70 -11.364 5.996 1.492 550 3HG2 THR 70 3HG2 THR 70 -12.697 7.000 0.871 551 H PHE 71 H PHE 71 -13.045 2.518 1.454 552 HA PHE 71 HA PHE 71 -15.748 2.409 0.309 553 1HB PHE 71 1HB PHE 71 -14.136 0.472 2.077 554 2HB PHE 71 2HB PHE 71 -15.818 0.214 1.658 555 HD1 PHE 71 HD1 PHE 71 -12.539 -0.591 0.799 556 HD2 PHE 71 HD2 PHE 71 -16.293 0.295 -0.970 557 HE1 PHE 71 HE1 PHE 71 -11.836 -1.787 -1.292 558 HE2 PHE 71 HE2 PHE 71 -15.590 -0.901 -3.061 559 HZ PHE 71 HZ PHE 71 -13.369 -1.928 -3.197 560 H GLU 72 H GLU 72 -17.544 2.502 1.808 561 HA GLU 72 HA GLU 72 -17.469 4.438 3.617 562 1HB GLU 72 1HB GLU 72 -19.458 3.009 2.745 563 2HB GLU 72 2HB GLU 72 -19.148 1.953 4.108 564 1HG GLU 72 1HG GLU 72 -19.886 3.501 5.666 565 2HG GLU 72 2HG GLU 72 -19.290 4.872 4.751 566 H SER 73 H SER 73 -16.828 0.937 4.285 567 HA SER 73 HA SER 73 -15.035 1.630 6.335 568 1HB SER 73 1HB SER 73 -16.954 1.990 7.732 569 2HB SER 73 2HB SER 73 -17.774 0.570 7.113 570 HG SER 73 HG SER 73 -16.114 -0.756 8.135 571 H LYS 74 H LYS 74 -17.206 -1.220 6.505 572 HA LYS 74 HA LYS 74 -15.207 -2.806 5.084 573 1HB LYS 74 1HB LYS 74 -14.472 -3.152 7.284 574 2HB LYS 74 2HB LYS 74 -16.098 -3.179 7.938 575 1HG LYS 74 1HG LYS 74 -15.265 -5.470 7.870 576 2HG LYS 74 2HG LYS 74 -16.544 -5.317 6.682 577 1HD LYS 74 1HD LYS 74 -14.534 -4.718 5.032 578 2HD LYS 74 2HD LYS 74 -13.559 -5.537 6.236 579 1HE LYS 74 1HE LYS 74 -15.412 -7.434 6.051 580 2HE LYS 74 2HE LYS 74 -15.786 -6.668 4.520 581 1HZ LYS 74 1HZ LYS 74 -13.186 -7.757 5.339 582 2HZ LYS 74 2HZ LYS 74 -14.164 -8.322 4.159 583 3HZ LYS 74 3HZ LYS 74 -13.407 -6.886 3.975 584 H GLU 75 H GLU 75 -18.459 -2.640 6.659 585 HA GLU 75 HA GLU 75 -19.514 -4.865 5.478 586 1HB GLU 75 1HB GLU 75 -20.728 -2.258 6.435 587 2HB GLU 75 2HB GLU 75 -21.743 -3.493 5.718 588 1HG GLU 75 1HG GLU 75 -20.984 -5.147 7.396 589 2HG GLU 75 2HG GLU 75 -19.860 -3.985 8.073 590 H ALA 76 H ALA 76 -18.893 -1.628 4.149 591 HA ALA 76 HA ALA 76 -20.574 -1.910 1.886 592 1HB ALA 76 1HB ALA 76 -18.432 -0.122 1.338 593 2HB ALA 76 2HB ALA 76 -20.084 0.282 1.863 594 3HB ALA 76 3HB ALA 76 -18.800 0.038 3.072 595 H VAL 77 H VAL 77 -17.142 -2.665 2.645 596 HA VAL 77 HA VAL 77 -16.261 -3.167 0.078 597 HB VAL 77 HB VAL 77 -15.526 -4.412 2.732 598 1HG1 VAL 77 1HG1 VAL 77 -14.559 -5.959 1.343 599 2HG1 VAL 77 2HG1 VAL 77 -14.416 -4.818 -0.016 600 3HG1 VAL 77 3HG1 VAL 77 -13.276 -4.725 1.348 601 1HG2 VAL 77 1HG2 VAL 77 -13.737 -2.486 1.352 602 2HG2 VAL 77 2HG2 VAL 77 -15.257 -1.820 1.997 603 3HG2 VAL 77 3HG2 VAL 77 -14.124 -2.663 3.081 604 H ALA 78 H ALA 78 -18.218 -5.154 2.325 605 HA ALA 78 HA ALA 78 -18.011 -7.531 0.812 606 1HB ALA 78 1HB ALA 78 -20.194 -7.997 2.204 607 2HB ALA 78 2HB ALA 78 -18.631 -7.842 3.041 608 3HB ALA 78 3HB ALA 78 -19.770 -6.474 3.023 609 H GLU 79 H GLU 79 -20.197 -4.686 0.799 610 HA GLU 79 HA GLU 79 -22.089 -5.843 -0.898 611 1HB GLU 79 1HB GLU 79 -22.154 -3.669 0.613 612 2HB GLU 79 2HB GLU 79 -21.555 -2.866 -0.825 613 1HG GLU 79 1HG GLU 79 -23.722 -4.629 -1.595 614 2HG GLU 79 2HG GLU 79 -24.254 -3.661 -0.235 615 H TYR 80 H TYR 80 -18.998 -4.146 -1.420 616 HA TYR 80 HA TYR 80 -19.388 -3.608 -4.163 617 1HB TYR 80 1HB TYR 80 -17.697 -2.592 -2.529 618 2HB TYR 80 2HB TYR 80 -16.891 -4.146 -2.435 619 HD1 TYR 80 HD1 TYR 80 -18.231 -2.456 -5.487 620 HD2 TYR 80 HD2 TYR 80 -14.756 -3.681 -3.312 621 HE1 TYR 80 HE1 TYR 80 -16.761 -1.816 -7.461 622 HE2 TYR 80 HE2 TYR 80 -13.298 -3.037 -5.292 623 HH TYR 80 HH TYR 80 -13.234 -2.027 -7.224 624 H ILE 81 H ILE 81 -17.613 -6.243 -2.399 625 HA ILE 81 HA ILE 81 -16.860 -7.581 -4.748 626 HB ILE 81 HB ILE 81 -17.122 -8.493 -1.884 627 1HG1 ILE 81 1HG1 ILE 81 -14.605 -7.826 -3.421 628 2HG1 ILE 81 2HG1 ILE 81 -15.496 -6.616 -2.518 629 1HG2 ILE 81 1HG2 ILE 81 -17.266 -10.433 -3.333 630 2HG2 ILE 81 2HG2 ILE 81 -15.825 -9.902 -4.233 631 3HG2 ILE 81 3HG2 ILE 81 -15.681 -10.385 -2.526 632 1HD1 ILE 81 1HD1 ILE 81 -14.864 -7.467 -0.478 633 2HD1 ILE 81 2HD1 ILE 81 -14.960 -9.153 -1.039 634 3HD1 ILE 81 3HD1 ILE 81 -13.530 -8.167 -1.427 635 H ALA 82 H ALA 82 -19.850 -7.422 -2.893 636 HA ALA 82 HA ALA 82 -20.906 -9.860 -3.957 637 1HB ALA 82 1HB ALA 82 -22.923 -9.192 -2.785 638 2HB ALA 82 2HB ALA 82 -21.524 -8.847 -1.740 639 3HB ALA 82 3HB ALA 82 -22.326 -7.524 -2.620 640 H HIS 83 H HIS 83 -20.560 -6.531 -5.000 641 HA HIS 83 HA HIS 83 -22.777 -6.366 -6.674 642 1HB HIS 83 1HB HIS 83 -20.814 -4.673 -5.877 643 2HB HIS 83 2HB HIS 83 -20.272 -5.009 -7.509 644 HD1 HIS 83 HD1 HIS 83 -21.656 -4.046 -9.468 645 HD2 HIS 83 HD2 HIS 83 -23.317 -3.294 -5.691 646 HE1 HIS 83 HE1 HIS 83 -23.504 -2.324 -9.830 647 HE2 HIS 83 HE2 HIS 83 -24.524 -1.943 -7.483 648 HA PRO 84 HA PRO 84 -21.618 -9.070 -9.859 649 1HB PRO 84 1HB PRO 84 -23.477 -8.374 -11.736 650 2HB PRO 84 2HB PRO 84 -23.818 -9.466 -10.409 651 1HG PRO 84 1HG PRO 84 -24.637 -6.646 -10.744 652 2HG PRO 84 2HG PRO 84 -25.300 -7.861 -9.670 653 1HD PRO 84 1HD PRO 84 -23.542 -5.711 -8.951 654 2HD PRO 84 2HD PRO 84 -24.113 -6.993 -7.902 655 H ALA 85 H ALA 85 -21.996 -5.674 -10.594 656 HA ALA 85 HA ALA 85 -20.724 -5.689 -13.051 657 1HB ALA 85 1HB ALA 85 -21.993 -3.834 -11.672 658 2HB ALA 85 2HB ALA 85 -20.362 -3.440 -11.075 659 3HB ALA 85 3HB ALA 85 -20.713 -3.369 -12.818 660 H HIS 86 H HIS 86 -19.378 -5.371 -9.704 661 HA HIS 86 HA HIS 86 -16.730 -5.066 -10.590 662 1HB HIS 86 1HB HIS 86 -17.238 -4.263 -8.443 663 2HB HIS 86 2HB HIS 86 -18.027 -5.751 -7.961 664 HD1 HIS 86 HD1 HIS 86 -14.679 -6.024 -9.635 665 HD2 HIS 86 HD2 HIS 86 -16.247 -5.957 -5.745 666 HE1 HIS 86 HE1 HIS 86 -12.798 -6.795 -8.093 667 HE2 HIS 86 HE2 HIS 86 -13.804 -6.681 -5.712 668 H VAL 87 H VAL 87 -18.804 -7.876 -9.809 669 HA VAL 87 HA VAL 87 -16.701 -9.759 -9.788 670 HB VAL 87 HB VAL 87 -19.547 -9.665 -9.450 671 1HG1 VAL 87 1HG1 VAL 87 -20.137 -11.868 -10.406 672 2HG1 VAL 87 2HG1 VAL 87 -19.721 -10.678 -11.663 673 3HG1 VAL 87 3HG1 VAL 87 -18.547 -11.935 -11.204 674 1HG2 VAL 87 1HG2 VAL 87 -18.087 -12.166 -8.831 675 2HG2 VAL 87 2HG2 VAL 87 -17.398 -10.683 -8.128 676 3HG2 VAL 87 3HG2 VAL 87 -19.088 -11.128 -7.787 677 H GLU 88 H GLU 88 -18.808 -8.342 -12.315 678 HA GLU 88 HA GLU 88 -18.205 -10.172 -14.296 679 1HB GLU 88 1HB GLU 88 -19.968 -8.216 -14.178 680 2HB GLU 88 2HB GLU 88 -18.693 -7.240 -14.880 681 1HG GLU 88 1HG GLU 88 -19.663 -8.011 -16.838 682 2HG GLU 88 2HG GLU 88 -18.508 -9.305 -16.587 683 H PHE 89 H PHE 89 -16.602 -7.089 -13.307 684 HA PHE 89 HA PHE 89 -14.697 -7.175 -15.395 685 1HB PHE 89 1HB PHE 89 -15.466 -5.158 -14.030 686 2HB PHE 89 2HB PHE 89 -14.712 -5.858 -12.611 687 HD1 PHE 89 HD1 PHE 89 -12.655 -5.016 -12.029 688 HD2 PHE 89 HD2 PHE 89 -13.753 -5.013 -16.128 689 HE1 PHE 89 HE1 PHE 89 -10.500 -3.864 -12.605 690 HE2 PHE 89 HE2 PHE 89 -11.599 -3.861 -16.704 691 HZ PHE 89 HZ PHE 89 -9.998 -3.301 -14.936 692 H ALA 90 H ALA 90 -14.595 -8.017 -11.864 693 HA ALA 90 HA ALA 90 -11.916 -8.768 -11.826 694 1HB ALA 90 1HB ALA 90 -12.668 -8.604 -9.688 695 2HB ALA 90 2HB ALA 90 -14.330 -9.057 -10.134 696 3HB ALA 90 3HB ALA 90 -13.098 -10.319 -9.893 697 H THR 91 H THR 91 -14.914 -10.537 -12.709 698 HA THR 91 HA THR 91 -13.720 -13.087 -12.843 699 HB THR 91 HB THR 91 -16.201 -11.805 -14.094 700 HG1 THR 91 HG1 THR 91 -16.358 -12.078 -11.832 701 1HG2 THR 91 1HG2 THR 91 -16.836 -14.414 -14.010 702 2HG2 THR 91 2HG2 THR 91 -16.055 -13.722 -15.451 703 3HG2 THR 91 3HG2 THR 91 -15.084 -14.614 -14.255 704 H ILE 92 H ILE 92 -13.888 -10.350 -15.119 705 HA ILE 92 HA ILE 92 -12.966 -11.921 -17.316 706 HB ILE 92 HB ILE 92 -13.545 -9.044 -16.783 707 1HG1 ILE 92 1HG1 ILE 92 -14.412 -10.933 -18.990 708 2HG1 ILE 92 2HG1 ILE 92 -15.300 -10.665 -17.503 709 1HG2 ILE 92 1HG2 ILE 92 -12.670 -8.381 -18.957 710 2HG2 ILE 92 2HG2 ILE 92 -11.367 -9.000 -17.914 711 3HG2 ILE 92 3HG2 ILE 92 -12.024 -10.020 -19.217 712 1HD1 ILE 92 1HD1 ILE 92 -15.257 -8.145 -18.102 713 2HD1 ILE 92 2HD1 ILE 92 -14.719 -8.663 -19.718 714 3HD1 ILE 92 3HD1 ILE 92 -16.300 -9.192 -19.095 715 H PHE 93 H PHE 93 -11.492 -9.509 -15.048 716 HA PHE 93 HA PHE 93 -8.940 -9.639 -16.155 717 1HB PHE 93 1HB PHE 93 -10.144 -8.074 -14.363 718 2HB PHE 93 2HB PHE 93 -9.624 -9.270 -13.193 719 HD1 PHE 93 HD1 PHE 93 -6.957 -9.972 -13.881 720 HD2 PHE 93 HD2 PHE 93 -8.841 -6.185 -14.225 721 HE1 PHE 93 HE1 PHE 93 -4.720 -8.844 -13.721 722 HE2 PHE 93 HE2 PHE 93 -6.605 -5.057 -14.065 723 HZ PHE 93 HZ PHE 93 -4.571 -6.400 -13.815 724 H LEU 94 H LEU 94 -10.361 -11.352 -13.280 725 HA LEU 94 HA LEU 94 -8.075 -12.790 -12.647 726 1HB LEU 94 1HB LEU 94 -9.369 -13.861 -11.119 727 2HB LEU 94 2HB LEU 94 -10.310 -12.408 -11.390 728 HG LEU 94 HG LEU 94 -11.674 -13.779 -13.072 729 1HD1 LEU 94 1HD1 LEU 94 -10.740 -15.756 -13.583 730 2HD1 LEU 94 2HD1 LEU 94 -9.821 -15.839 -12.061 731 3HD1 LEU 94 3HD1 LEU 94 -11.536 -16.313 -12.092 732 1HD2 LEU 94 1HD2 LEU 94 -12.436 -13.076 -10.811 733 2HD2 LEU 94 2HD2 LEU 94 -13.147 -14.612 -11.364 734 3HD2 LEU 94 3HD2 LEU 94 -11.830 -14.621 -10.167 735 H GLY 95 H GLY 95 -10.432 -13.163 -15.243 736 1HA GLY 95 1HA GLY 95 -10.025 -15.889 -15.816 737 2HA GLY 95 2HA GLY 95 -10.621 -14.658 -16.911 738 H SER 96 H SER 96 -7.955 -13.095 -16.158 739 HA SER 96 HA SER 96 -6.047 -14.764 -17.504 740 1HB SER 96 1HB SER 96 -5.556 -12.764 -19.115 741 2HB SER 96 2HB SER 96 -6.882 -13.845 -19.496 742 HG SER 96 HG SER 96 -6.988 -11.187 -18.395 743 H LEU 97 H LEU 97 -5.922 -14.076 -14.874 744 HA LEU 97 HA LEU 97 -4.040 -11.819 -14.836 745 1HB LEU 97 1HB LEU 97 -5.057 -10.949 -13.077 746 2HB LEU 97 2HB LEU 97 -6.416 -11.968 -13.509 747 HG LEU 97 HG LEU 97 -6.072 -12.233 -11.183 748 1HD1 LEU 97 1HD1 LEU 97 -4.720 -14.727 -11.601 749 2HD1 LEU 97 2HD1 LEU 97 -6.447 -14.413 -11.307 750 3HD1 LEU 97 3HD1 LEU 97 -5.813 -14.411 -12.970 751 1HD2 LEU 97 1HD2 LEU 97 -3.293 -11.880 -11.845 752 2HD2 LEU 97 2HD2 LEU 97 -4.108 -11.762 -10.268 753 3HD2 LEU 97 3HD2 LEU 97 -3.502 -13.335 -10.841 754 H ASP 98 H ASP 98 -2.083 -12.090 -13.677 755 HA ASP 98 HA ASP 98 -1.246 -14.800 -13.610 756 1HB ASP 98 1HB ASP 98 0.417 -13.286 -14.351 757 2HB ASP 98 2HB ASP 98 0.031 -12.102 -13.119 758 H LYS 99 H LYS 99 -0.575 -12.198 -11.166 759 HA LYS 99 HA LYS 99 -1.497 -14.058 -9.086 760 1HB LYS 99 1HB LYS 99 0.942 -12.273 -9.153 761 2HB LYS 99 2HB LYS 99 0.280 -12.894 -7.654 762 1HG LYS 99 1HG LYS 99 0.991 -15.042 -8.068 763 2HG LYS 99 2HG LYS 99 0.601 -14.956 -9.774 764 1HD LYS 99 1HD LYS 99 2.967 -15.077 -9.763 765 2HD LYS 99 2HD LYS 99 2.654 -13.368 -9.992 766 1HE LYS 99 1HE LYS 99 3.911 -12.946 -8.151 767 2HE LYS 99 2HE LYS 99 2.674 -13.718 -7.179 768 1HZ LYS 99 1HZ LYS 99 4.589 -14.903 -6.752 769 2HZ LYS 99 2HZ LYS 99 3.829 -15.854 -7.840 770 3HZ LYS 99 3HZ LYS 99 5.085 -14.922 -8.308 771 H VAL 100 H VAL 100 -2.381 -13.019 -7.133 772 HA VAL 100 HA VAL 100 -3.031 -10.220 -7.359 773 HB VAL 100 HB VAL 100 -4.836 -10.850 -8.628 774 1HG1 VAL 100 1HG1 VAL 100 -5.138 -13.362 -6.946 775 2HG1 VAL 100 2HG1 VAL 100 -6.150 -12.906 -8.338 776 3HG1 VAL 100 3HG1 VAL 100 -4.424 -13.269 -8.574 777 1HG2 VAL 100 1HG2 VAL 100 -6.508 -10.061 -7.361 778 2HG2 VAL 100 2HG2 VAL 100 -6.442 -11.455 -6.257 779 3HG2 VAL 100 3HG2 VAL 100 -5.344 -10.076 -6.014 780 H LEU 101 H LEU 101 -3.173 -9.304 -5.340 781 HA LEU 101 HA LEU 101 -3.503 -11.160 -3.096 782 1HB LEU 101 1HB LEU 101 -1.274 -9.239 -3.628 783 2HB LEU 101 2HB LEU 101 -1.789 -9.510 -1.975 784 HG LEU 101 HG LEU 101 0.029 -10.962 -2.338 785 1HD1 LEU 101 1HD1 LEU 101 -0.837 -13.045 -1.769 786 2HD1 LEU 101 2HD1 LEU 101 -2.132 -11.917 -1.298 787 3HD1 LEU 101 3HD1 LEU 101 -2.269 -12.849 -2.808 788 1HD2 LEU 101 1HD2 LEU 101 -0.800 -10.935 -5.032 789 2HD2 LEU 101 2HD2 LEU 101 0.656 -11.687 -4.337 790 3HD2 LEU 101 3HD2 LEU 101 -0.840 -12.637 -4.511 791 H VAL 102 H VAL 102 -5.178 -10.566 -1.833 792 HA VAL 102 HA VAL 102 -6.028 -7.762 -2.026 793 HB VAL 102 HB VAL 102 -7.705 -10.082 -1.092 794 1HG1 VAL 102 1HG1 VAL 102 -8.913 -8.211 -0.574 795 2HG1 VAL 102 2HG1 VAL 102 -8.157 -7.229 -1.851 796 3HG1 VAL 102 3HG1 VAL 102 -9.425 -8.407 -2.268 797 1HG2 VAL 102 1HG2 VAL 102 -6.796 -10.618 -3.342 798 2HG2 VAL 102 2HG2 VAL 102 -8.559 -10.373 -3.345 799 3HG2 VAL 102 3HG2 VAL 102 -7.482 -9.094 -3.955 800 H ILE 103 H ILE 103 -5.533 -6.524 -0.299 801 HA ILE 103 HA ILE 103 -5.805 -7.696 2.338 802 HB ILE 103 HB ILE 103 -3.225 -6.431 1.406 803 1HG1 ILE 103 1HG1 ILE 103 -3.587 -8.744 0.566 804 2HG1 ILE 103 2HG1 ILE 103 -2.209 -8.585 1.636 805 1HG2 ILE 103 1HG2 ILE 103 -3.513 -5.772 3.641 806 2HG2 ILE 103 2HG2 ILE 103 -4.197 -7.346 4.113 807 3HG2 ILE 103 3HG2 ILE 103 -2.467 -7.210 3.717 808 1HD1 ILE 103 1HD1 ILE 103 -3.334 -9.639 3.453 809 2HD1 ILE 103 2HD1 ILE 103 -4.934 -9.395 2.712 810 3HD1 ILE 103 3HD1 ILE 103 -3.809 -10.593 2.028 811 H ASP 104 H ASP 104 -5.833 -5.991 4.046 812 HA ASP 104 HA ASP 104 -6.916 -3.570 2.867 813 1HB ASP 104 1HB ASP 104 -7.132 -4.685 5.704 814 2HB ASP 104 2HB ASP 104 -7.912 -3.217 5.149 815 H TYR 105 H TYR 105 -6.012 -1.515 3.441 816 HA TYR 105 HA TYR 105 -3.687 -1.624 5.243 817 1HB TYR 105 1HB TYR 105 -2.775 -1.303 3.049 818 2HB TYR 105 2HB TYR 105 -4.223 -0.507 2.467 819 HD1 TYR 105 HD1 TYR 105 -1.647 0.127 5.137 820 HD2 TYR 105 HD2 TYR 105 -3.952 1.718 1.902 821 HE1 TYR 105 HE1 TYR 105 -0.534 2.392 5.448 822 HE2 TYR 105 HE2 TYR 105 -2.831 3.977 2.224 823 HH TYR 105 HH TYR 105 -1.628 5.200 3.647 824 H LYS 106 H LYS 106 -4.188 -0.519 7.071 825 HA LYS 106 HA LYS 106 -5.626 2.014 6.705 826 1HB LYS 106 1HB LYS 106 -7.257 0.571 7.620 827 2HB LYS 106 2HB LYS 106 -6.119 -0.175 8.724 828 1HG LYS 106 1HG LYS 106 -6.192 2.720 9.145 829 2HG LYS 106 2HG LYS 106 -7.808 2.051 9.244 830 1HD LYS 106 1HD LYS 106 -5.698 0.476 10.656 831 2HD LYS 106 2HD LYS 106 -6.015 2.063 11.329 832 1HE LYS 106 1HE LYS 106 -7.923 1.305 12.291 833 2HE LYS 106 2HE LYS 106 -8.563 0.856 10.723 834 1HZ LYS 106 1HZ LYS 106 -7.483 -1.239 10.894 835 2HZ LYS 106 2HZ LYS 106 -6.713 -0.820 12.272 836 3HZ LYS 106 3HZ LYS 106 -8.336 -1.006 12.268 837 HA PRO 107 HA PRO 107 -1.931 3.300 8.665 838 1HB PRO 107 1HB PRO 107 -2.241 5.978 8.216 839 2HB PRO 107 2HB PRO 107 -1.502 4.892 7.057 840 1HG PRO 107 1HG PRO 107 -4.196 6.107 7.002 841 2HG PRO 107 2HG PRO 107 -3.291 5.383 5.687 842 1HD PRO 107 1HD PRO 107 -5.480 4.205 7.117 843 2HD PRO 107 2HD PRO 107 -4.501 3.438 5.883 844 H THR 108 H THR 108 -1.458 3.505 10.764 845 HA THR 108 HA THR 108 -3.578 4.819 12.335 846 HB THR 108 HB THR 108 -1.820 2.379 12.840 847 HG1 THR 108 HG1 THR 108 -4.095 1.660 13.342 848 1HG2 THR 108 1HG2 THR 108 -2.401 4.300 14.820 849 2HG2 THR 108 2HG2 THR 108 -3.727 3.120 14.966 850 3HG2 THR 108 3HG2 THR 108 -2.037 2.582 15.114 851 H SER 109 H SER 109 -3.068 6.570 13.511 852 HA SER 109 HA SER 109 -0.394 7.521 13.257 853 1HB SER 109 1HB SER 109 -3.029 8.602 14.158 854 2HB SER 109 2HB SER 109 -1.624 9.326 14.914 855 HG SER 109 HG SER 109 -1.018 9.174 12.312 856 H VAL 110 H VAL 110 1.194 7.587 14.866 857 HA VAL 110 HA VAL 110 0.414 6.388 17.434 858 HB VAL 110 HB VAL 110 2.822 6.115 15.677 859 1HG1 VAL 110 1HG1 VAL 110 4.044 5.091 17.618 860 2HG1 VAL 110 2HG1 VAL 110 3.836 6.855 17.726 861 3HG1 VAL 110 3HG1 VAL 110 2.801 5.777 18.692 862 1HG2 VAL 110 1HG2 VAL 110 0.799 4.350 16.967 863 2HG2 VAL 110 2HG2 VAL 110 1.570 4.238 15.366 864 3HG2 VAL 110 3HG2 VAL 110 2.453 3.709 16.818 865 H SER 111 H SER 111 1.074 7.403 19.350 866 HA SER 111 HA SER 111 1.488 10.170 19.099 867 1HB SER 111 1HB SER 111 2.089 9.292 21.768 868 2HB SER 111 2HB SER 111 0.647 10.104 21.191 869 HG SER 111 HG SER 111 -0.434 8.218 21.062 870 H LEU 112 H LEU 112 3.401 11.310 19.000 871 HA LEU 112 HA LEU 112 5.812 9.959 19.961 872 1HB LEU 112 1HB LEU 112 7.029 10.785 17.979 873 2HB LEU 112 2HB LEU 112 5.855 9.530 17.637 874 HG LEU 112 HG LEU 112 4.311 11.664 17.120 875 1HD1 LEU 112 1HD1 LEU 112 5.469 13.569 17.207 876 2HD1 LEU 112 2HD1 LEU 112 7.034 12.721 17.241 877 3HD1 LEU 112 3HD1 LEU 112 6.227 13.038 15.686 878 1HD2 LEU 112 1HD2 LEU 112 6.257 10.207 15.338 879 2HD2 LEU 112 2HD2 LEU 112 4.501 9.975 15.516 880 3HD2 LEU 112 3HD2 LEU 112 5.129 11.426 14.698 881 1H GLY 1 1H GLY 1 17.419 30.193 13.455 882 1HA GLY 1 1HA GLY 1 15.425 30.230 11.978 883 2HA GLY 1 2HA GLY 1 15.880 28.623 12.508 884 H SER 2 H SER 2 13.282 30.699 12.155 885 HA SER 2 HA SER 2 11.922 29.926 14.553 886 1HB SER 2 1HB SER 2 10.926 31.443 12.099 887 2HB SER 2 2HB SER 2 10.040 31.262 13.600 888 HG SER 2 HG SER 2 12.447 32.198 14.309 889 H HIS 3 H HIS 3 11.814 29.260 11.004 890 HA HIS 3 HA HIS 3 10.950 26.646 11.366 891 1HB HIS 3 1HB HIS 3 8.849 28.106 11.968 892 2HB HIS 3 2HB HIS 3 8.699 28.279 10.230 893 HD1 HIS 3 HD1 HIS 3 9.132 25.389 12.728 894 HD2 HIS 3 HD2 HIS 3 7.210 26.289 9.110 895 HE1 HIS 3 HE1 HIS 3 7.753 23.330 12.120 896 H MET 4 H MET 4 10.582 25.554 9.239 897 HA MET 4 HA MET 4 10.777 26.954 6.859 898 1HB MET 4 1HB MET 4 13.231 26.924 8.196 899 2HB MET 4 2HB MET 4 13.372 25.503 7.180 900 1HG MET 4 1HG MET 4 12.593 27.014 5.216 901 2HG MET 4 2HG MET 4 12.854 28.373 6.290 902 1HE MET 4 1HE MET 4 15.832 27.680 7.881 903 2HE MET 4 2HE MET 4 16.392 28.886 6.698 904 3HE MET 4 3HE MET 4 14.751 29.001 7.378 905 H GLU 5 H GLU 5 9.281 25.491 6.032 906 HA GLU 5 HA GLU 5 10.306 22.784 5.744 907 1HB GLU 5 1HB GLU 5 8.191 23.434 7.439 908 2HB GLU 5 2HB GLU 5 7.363 22.943 5.974 909 1HG GLU 5 1HG GLU 5 7.730 20.779 6.536 910 2HG GLU 5 2HG GLU 5 9.449 21.043 6.316 911 H GLU 6 H GLU 6 10.333 22.141 3.627 912 HA GLU 6 HA GLU 6 8.753 23.765 1.801 913 1HB GLU 6 1HB GLU 6 11.446 22.507 1.670 914 2HB GLU 6 2HB GLU 6 10.503 22.356 0.201 915 1HG GLU 6 1HG GLU 6 10.323 24.712 -0.085 916 2HG GLU 6 2HG GLU 6 10.692 25.043 1.596 917 H ALA 7 H ALA 7 6.907 22.839 1.036 918 HA ALA 7 HA ALA 7 6.597 19.974 1.288 919 1HB ALA 7 1HB ALA 7 4.264 20.735 0.285 920 2HB ALA 7 2HB ALA 7 4.672 21.066 1.985 921 3HB ALA 7 3HB ALA 7 4.830 22.353 0.765 922 H LYS 8 H LYS 8 5.311 18.950 -0.710 923 HA LYS 8 HA LYS 8 6.146 19.968 -3.252 924 1HB LYS 8 1HB LYS 8 7.951 18.276 -1.895 925 2HB LYS 8 2HB LYS 8 7.182 17.270 -3.105 926 1HG LYS 8 1HG LYS 8 8.181 18.376 -4.842 927 2HG LYS 8 2HG LYS 8 7.879 19.952 -4.138 928 1HD LYS 8 1HD LYS 8 9.842 19.848 -2.765 929 2HD LYS 8 2HD LYS 8 10.008 18.117 -2.979 930 1HE LYS 8 1HE LYS 8 10.607 18.411 -5.350 931 2HE LYS 8 2HE LYS 8 10.281 20.131 -5.260 932 1HZ LYS 8 1HZ LYS 8 12.552 19.925 -4.985 933 2HZ LYS 8 2HZ LYS 8 12.022 20.136 -3.454 934 3HZ LYS 8 3HZ LYS 8 12.447 18.647 -3.973 935 H GLY 9 H GLY 9 5.305 16.773 -1.726 936 1HA GLY 9 1HA GLY 9 3.355 16.262 -3.790 937 2HA GLY 9 2HA GLY 9 3.772 15.242 -2.427 938 HA PRO 10 HA PRO 10 3.928 15.401 -0.432 939 1HB PRO 10 1HB PRO 10 2.677 14.000 1.553 940 2HB PRO 10 2HB PRO 10 3.419 15.567 1.808 941 1HG PRO 10 1HG PRO 10 0.550 14.887 1.593 942 2HG PRO 10 2HG PRO 10 1.289 16.331 2.257 943 1HD PRO 10 1HD PRO 10 0.011 16.077 -0.298 944 2HD PRO 10 2HD PRO 10 0.852 17.486 0.318 945 H VAL 11 H VAL 11 4.708 13.223 -0.551 946 HA VAL 11 HA VAL 11 2.927 11.699 -2.309 947 HB VAL 11 HB VAL 11 5.886 11.994 -2.015 948 1HG1 VAL 11 1HG1 VAL 11 4.541 9.552 -3.223 949 2HG1 VAL 11 2HG1 VAL 11 6.274 9.947 -3.321 950 3HG1 VAL 11 3HG1 VAL 11 5.532 9.583 -1.745 951 1HG2 VAL 11 1HG2 VAL 11 4.300 13.145 -3.743 952 2HG2 VAL 11 2HG2 VAL 11 5.855 12.472 -4.288 953 3HG2 VAL 11 3HG2 VAL 11 4.347 11.568 -4.567 954 H LYS 12 H LYS 12 2.330 9.581 -1.813 955 HA LYS 12 HA LYS 12 2.921 8.812 0.948 956 1HB LYS 12 1HB LYS 12 0.599 8.409 -0.897 957 2HB LYS 12 2HB LYS 12 0.916 7.182 0.313 958 1HG LYS 12 1HG LYS 12 1.144 9.312 1.932 959 2HG LYS 12 2HG LYS 12 0.164 10.081 0.700 960 1HD LYS 12 1HD LYS 12 -1.145 7.644 1.056 961 2HD LYS 12 2HD LYS 12 -0.585 8.002 2.677 962 1HE LYS 12 1HE LYS 12 -1.939 9.873 2.891 963 2HE LYS 12 2HE LYS 12 -1.807 10.301 1.197 964 1HZ LYS 12 1HZ LYS 12 -3.983 9.522 1.637 965 2HZ LYS 12 2HZ LYS 12 -3.247 8.390 0.719 966 3HZ LYS 12 3HZ LYS 12 -3.447 8.139 2.320 967 H HIS 13 H HIS 13 4.420 7.272 1.291 968 HA HIS 13 HA HIS 13 5.166 5.632 -0.992 969 1HB HIS 13 1HB HIS 13 7.026 6.719 -0.039 970 2HB HIS 13 2HB HIS 13 6.515 6.370 1.600 971 HD1 HIS 13 HD1 HIS 13 8.595 5.068 -1.148 972 HD2 HIS 13 HD2 HIS 13 6.838 3.547 2.343 973 HE1 HIS 13 HE1 HIS 13 9.764 2.852 -0.667 974 HE2 HIS 13 HE2 HIS 13 8.680 1.991 1.520 975 H VAL 14 H VAL 14 4.493 3.553 -1.174 976 HA VAL 14 HA VAL 14 3.414 2.318 1.265 977 HB VAL 14 HB VAL 14 2.664 2.040 -1.647 978 1HG1 VAL 14 1HG1 VAL 14 1.491 0.464 0.664 979 2HG1 VAL 14 2HG1 VAL 14 1.132 0.292 -1.071 980 3HG1 VAL 14 3HG1 VAL 14 2.731 -0.175 -0.443 981 1HG2 VAL 14 1HG2 VAL 14 0.866 2.738 0.682 982 2HG2 VAL 14 2HG2 VAL 14 1.790 3.976 -0.203 983 3HG2 VAL 14 3HG2 VAL 14 0.586 2.983 -1.058 984 H LEU 15 H LEU 15 4.701 0.770 2.109 985 HA LEU 15 HA LEU 15 6.201 -0.881 0.208 986 1HB LEU 15 1HB LEU 15 8.034 0.183 0.877 987 2HB LEU 15 2HB LEU 15 7.241 0.909 2.260 988 HG LEU 15 HG LEU 15 7.470 -1.399 3.386 989 1HD1 LEU 15 1HD1 LEU 15 8.005 -2.821 1.582 990 2HD1 LEU 15 2HD1 LEU 15 9.310 -1.751 1.016 991 3HD1 LEU 15 3HD1 LEU 15 9.502 -2.663 2.533 992 1HD2 LEU 15 1HD2 LEU 15 9.101 -0.425 4.540 993 2HD2 LEU 15 2HD2 LEU 15 10.221 -0.501 3.159 994 3HD2 LEU 15 3HD2 LEU 15 9.094 0.868 3.317 995 H LEU 16 H LEU 16 5.916 -3.037 0.521 996 HA LEU 16 HA LEU 16 4.601 -3.796 3.035 997 1HB LEU 16 1HB LEU 16 4.409 -5.604 0.718 998 2HB LEU 16 2HB LEU 16 3.214 -5.168 1.924 999 HG LEU 16 HG LEU 16 3.096 -2.888 0.697 1000 1HD1 LEU 16 1HD1 LEU 16 4.920 -4.399 -1.043 1001 2HD1 LEU 16 2HD1 LEU 16 3.549 -3.646 -1.894 1002 3HD1 LEU 16 3HD1 LEU 16 4.641 -2.646 -0.905 1003 1HD2 LEU 16 1HD2 LEU 16 1.699 -4.198 -1.202 1004 2HD2 LEU 16 2HD2 LEU 16 1.903 -5.506 -0.012 1005 3HD2 LEU 16 3HD2 LEU 16 1.132 -3.976 0.471 1006 H ALA 17 H ALA 17 5.669 -5.157 4.381 1007 HA ALA 17 HA ALA 17 7.777 -6.818 3.229 1008 1HB ALA 17 1HB ALA 17 8.970 -6.030 5.544 1009 2HB ALA 17 2HB ALA 17 9.263 -5.252 3.970 1010 3HB ALA 17 3HB ALA 17 8.101 -4.537 5.113 1011 H SER 18 H SER 18 8.188 -8.744 4.453 1012 HA SER 18 HA SER 18 6.249 -9.153 6.592 1013 1HB SER 18 1HB SER 18 6.853 -11.666 5.341 1014 2HB SER 18 2HB SER 18 5.306 -10.850 5.445 1015 HG SER 18 HG SER 18 6.011 -9.568 3.529 1016 H PHE 19 H PHE 19 7.000 -10.380 8.398 1017 HA PHE 19 HA PHE 19 9.901 -10.688 8.440 1018 1HB PHE 19 1HB PHE 19 7.646 -10.581 10.527 1019 2HB PHE 19 2HB PHE 19 9.306 -10.919 10.976 1020 HD1 PHE 19 HD1 PHE 19 10.623 -9.153 11.655 1021 HD2 PHE 19 HD2 PHE 19 7.352 -8.371 9.067 1022 HE1 PHE 19 HE1 PHE 19 11.079 -6.690 11.821 1023 HE2 PHE 19 HE2 PHE 19 7.809 -5.908 9.233 1024 HZ PHE 19 HZ PHE 19 9.667 -5.097 10.608 1025 H LYS 20 H LYS 20 10.704 -12.689 8.028 1026 HA LYS 20 HA LYS 20 9.001 -14.969 8.738 1027 1HB LYS 20 1HB LYS 20 9.999 -16.182 6.988 1028 2HB LYS 20 2HB LYS 20 9.672 -14.597 6.317 1029 1HG LYS 20 1HG LYS 20 11.881 -14.197 5.945 1030 2HG LYS 20 2HG LYS 20 12.312 -14.647 7.583 1031 1HD LYS 20 1HD LYS 20 13.349 -16.429 6.590 1032 2HD LYS 20 2HD LYS 20 11.742 -17.124 6.538 1033 1HE LYS 20 1HE LYS 20 11.566 -15.733 4.251 1034 2HE LYS 20 2HE LYS 20 13.315 -15.813 4.315 1035 1HZ LYS 20 1HZ LYS 20 12.514 -18.328 4.903 1036 2HZ LYS 20 2HZ LYS 20 11.461 -17.869 3.742 1037 3HZ LYS 20 3HZ LYS 20 13.068 -17.816 3.455 1038 H ASP 21 H ASP 21 11.143 -16.908 8.639 1039 HA ASP 21 HA ASP 21 12.864 -17.682 9.764 1040 1HB ASP 21 1HB ASP 21 13.430 -14.998 9.967 1041 2HB ASP 21 2HB ASP 21 13.177 -15.385 11.657 1042 H GLY 22 H GLY 22 10.101 -18.029 10.467 1043 1HA GLY 22 1HA GLY 22 8.724 -18.661 12.131 1044 2HA GLY 22 2HA GLY 22 10.176 -19.242 12.921 1045 H VAL 23 H VAL 23 10.037 -15.804 12.197 1046 HA VAL 23 HA VAL 23 10.162 -15.193 14.980 1047 HB VAL 23 HB VAL 23 10.569 -13.872 12.403 1048 1HG1 VAL 23 1HG1 VAL 23 8.646 -12.539 13.196 1049 2HG1 VAL 23 2HG1 VAL 23 9.514 -12.206 14.714 1050 3HG1 VAL 23 3HG1 VAL 23 10.153 -11.592 13.170 1051 1HG2 VAL 23 1HG2 VAL 23 11.828 -12.739 14.801 1052 2HG2 VAL 23 2HG2 VAL 23 12.065 -14.496 14.639 1053 3HG2 VAL 23 3HG2 VAL 23 12.563 -13.405 13.323 1054 H SER 24 H SER 24 8.496 -14.805 16.346 1055 HA SER 24 HA SER 24 5.895 -15.145 15.538 1056 1HB SER 24 1HB SER 24 7.323 -14.339 17.989 1057 2HB SER 24 2HB SER 24 5.735 -13.606 17.874 1058 HG SER 24 HG SER 24 6.157 -16.432 17.442 1059 HA PRO 25 HA PRO 25 4.583 -11.190 14.276 1060 1HB PRO 25 1HB PRO 25 2.074 -10.910 15.323 1061 2HB PRO 25 2HB PRO 25 2.417 -11.877 13.903 1062 1HG PRO 25 1HG PRO 25 1.826 -12.773 16.657 1063 2HG PRO 25 2HG PRO 25 1.750 -13.689 15.165 1064 1HD PRO 25 1HD PRO 25 3.810 -13.820 17.156 1065 2HD PRO 25 2HD PRO 25 3.791 -14.648 15.612 1066 H GLU 26 H GLU 26 4.266 -11.685 17.713 1067 HA GLU 26 HA GLU 26 3.905 -9.059 18.410 1068 1HB GLU 26 1HB GLU 26 4.101 -11.423 19.763 1069 2HB GLU 26 2HB GLU 26 5.648 -10.717 20.186 1070 1HG GLU 26 1HG GLU 26 4.561 -8.700 21.064 1071 2HG GLU 26 2HG GLU 26 2.998 -9.229 20.475 1072 H LYS 27 H LYS 27 6.904 -10.897 17.664 1073 HA LYS 27 HA LYS 27 8.746 -9.029 18.542 1074 1HB LYS 27 1HB LYS 27 8.861 -11.506 17.436 1075 2HB LYS 27 2HB LYS 27 9.390 -10.543 16.072 1076 1HG LYS 27 1HG LYS 27 11.431 -10.286 17.019 1077 2HG LYS 27 2HG LYS 27 10.706 -9.492 18.403 1078 1HD LYS 27 1HD LYS 27 10.112 -12.211 18.821 1079 2HD LYS 27 2HD LYS 27 11.732 -12.245 18.154 1080 1HE LYS 27 1HE LYS 27 12.642 -10.970 19.927 1081 2HE LYS 27 2HE LYS 27 11.099 -10.249 20.340 1082 1HZ LYS 27 1HZ LYS 27 10.690 -12.892 20.693 1083 2HZ LYS 27 2HZ LYS 27 12.221 -12.694 21.228 1084 3HZ LYS 27 3HZ LYS 27 11.009 -11.814 21.878 1085 H ILE 28 H ILE 28 6.641 -9.085 15.687 1086 HA ILE 28 HA ILE 28 8.066 -7.169 14.200 1087 HB ILE 28 HB ILE 28 5.959 -8.841 13.769 1088 1HG1 ILE 28 1HG1 ILE 28 6.773 -6.452 12.087 1089 2HG1 ILE 28 2HG1 ILE 28 7.603 -7.995 12.129 1090 1HG2 ILE 28 1HG2 ILE 28 3.980 -7.628 13.301 1091 2HG2 ILE 28 2HG2 ILE 28 4.481 -7.157 14.943 1092 3HG2 ILE 28 3HG2 ILE 28 4.784 -6.063 13.572 1093 1HD1 ILE 28 1HD1 ILE 28 6.163 -8.834 10.601 1094 2HD1 ILE 28 2HD1 ILE 28 4.795 -8.509 11.693 1095 3HD1 ILE 28 3HD1 ILE 28 5.332 -7.260 10.544 1096 H GLU 29 H GLU 29 5.626 -6.995 16.809 1097 HA GLU 29 HA GLU 29 5.035 -4.304 16.479 1098 1HB GLU 29 1HB GLU 29 4.334 -6.420 18.257 1099 2HB GLU 29 2HB GLU 29 4.900 -5.106 19.270 1100 1HG GLU 29 1HG GLU 29 3.314 -3.794 17.367 1101 2HG GLU 29 2HG GLU 29 2.444 -5.291 17.637 1102 H GLU 30 H GLU 30 7.584 -6.032 18.342 1103 HA GLU 30 HA GLU 30 8.491 -3.945 19.838 1104 1HB GLU 30 1HB GLU 30 9.593 -6.508 18.822 1105 2HB GLU 30 2HB GLU 30 10.815 -5.319 19.227 1106 1HG GLU 30 1HG GLU 30 8.708 -5.404 21.272 1107 2HG GLU 30 2HG GLU 30 9.415 -6.989 21.030 1108 H LEU 31 H LEU 31 9.155 -4.773 16.405 1109 HA LEU 31 HA LEU 31 11.167 -2.789 16.104 1110 1HB LEU 31 1HB LEU 31 9.823 -4.817 14.474 1111 2HB LEU 31 2HB LEU 31 10.214 -3.359 13.585 1112 HG LEU 31 HG LEU 31 12.055 -4.752 13.254 1113 1HD1 LEU 31 1HD1 LEU 31 12.483 -2.361 14.254 1114 2HD1 LEU 31 2HD1 LEU 31 13.160 -3.282 15.618 1115 3HD1 LEU 31 3HD1 LEU 31 13.831 -3.492 13.983 1116 1HD2 LEU 31 1HD2 LEU 31 12.677 -6.438 14.573 1117 2HD2 LEU 31 2HD2 LEU 31 12.840 -5.381 15.996 1118 3HD2 LEU 31 3HD2 LEU 31 11.248 -6.046 15.559 1119 H ILE 32 H ILE 32 7.662 -3.030 15.210 1120 HA ILE 32 HA ILE 32 7.494 -0.507 14.057 1121 HB ILE 32 HB ILE 32 5.442 -2.245 15.423 1122 1HG1 ILE 32 1HG1 ILE 32 6.324 -3.359 13.525 1123 2HG1 ILE 32 2HG1 ILE 32 4.773 -2.701 13.044 1124 1HG2 ILE 32 1HG2 ILE 32 4.861 0.229 15.355 1125 2HG2 ILE 32 2HG2 ILE 32 4.837 0.071 13.582 1126 3HG2 ILE 32 3HG2 ILE 32 3.713 -0.886 14.576 1127 1HD1 ILE 32 1HD1 ILE 32 7.547 -1.766 12.284 1128 2HD1 ILE 32 2HD1 ILE 32 6.141 -2.080 11.239 1129 3HD1 ILE 32 3HD1 ILE 32 6.190 -0.614 12.247 1130 H LYS 33 H LYS 33 7.396 -1.599 17.459 1131 HA LYS 33 HA LYS 33 6.463 0.869 18.478 1132 1HB LYS 33 1HB LYS 33 7.469 -1.704 19.539 1133 2HB LYS 33 2HB LYS 33 7.756 -0.317 20.570 1134 1HG LYS 33 1HG LYS 33 5.028 -0.906 19.338 1135 2HG LYS 33 2HG LYS 33 5.511 -1.536 20.900 1136 1HD LYS 33 1HD LYS 33 5.562 1.438 20.214 1137 2HD LYS 33 2HD LYS 33 4.187 0.652 20.963 1138 1HE LYS 33 1HE LYS 33 5.208 0.535 23.013 1139 2HE LYS 33 2HE LYS 33 6.743 0.039 22.329 1140 1HZ LYS 33 1HZ LYS 33 7.252 2.111 23.003 1141 2HZ LYS 33 2HZ LYS 33 6.714 2.506 21.513 1142 3HZ LYS 33 3HZ LYS 33 5.744 2.708 22.811 1143 H GLY 34 H GLY 34 9.681 -0.529 17.742 1144 1HA GLY 34 1HA GLY 34 11.156 1.560 19.011 1145 2HA GLY 34 2HA GLY 34 11.757 0.350 17.895 1146 H TYR 35 H TYR 35 10.268 0.775 15.573 1147 HA TYR 35 HA TYR 35 11.598 2.701 14.246 1148 1HB TYR 35 1HB TYR 35 9.357 0.953 13.938 1149 2HB TYR 35 2HB TYR 35 8.714 2.531 13.531 1150 HD1 TYR 35 HD1 TYR 35 9.983 -0.304 12.102 1151 HD2 TYR 35 HD2 TYR 35 10.576 3.931 11.987 1152 HE1 TYR 35 HE1 TYR 35 10.968 -0.499 9.766 1153 HE2 TYR 35 HE2 TYR 35 11.558 3.723 9.651 1154 HH TYR 35 HH TYR 35 11.196 1.890 7.704 1155 H ALA 36 H ALA 36 8.709 3.132 16.318 1156 HA ALA 36 HA ALA 36 8.126 5.750 15.467 1157 1HB ALA 36 1HB ALA 36 7.208 5.556 18.066 1158 2HB ALA 36 2HB ALA 36 6.329 4.997 16.623 1159 3HB ALA 36 3HB ALA 36 7.306 3.850 17.571 1160 H ASN 37 H ASN 37 10.194 4.365 18.080 1161 HA ASN 37 HA ASN 37 10.830 6.914 19.101 1162 1HB ASN 37 1HB ASN 37 11.137 4.256 19.945 1163 2HB ASN 37 2HB ASN 37 12.788 4.736 19.607 1164 1HD2 ASN 37 1HD2 ASN 37 13.021 4.425 21.921 1165 2HD2 ASN 37 2HD2 ASN 37 12.658 5.721 23.012 1166 H LEU 38 H LEU 38 12.209 4.580 16.749 1167 HA LEU 38 HA LEU 38 14.726 5.859 16.519 1168 1HB LEU 38 1HB LEU 38 13.836 3.442 15.889 1169 2HB LEU 38 2HB LEU 38 13.569 4.197 14.330 1170 HG LEU 38 HG LEU 38 16.194 4.918 15.146 1171 1HD1 LEU 38 1HD1 LEU 38 16.445 3.198 16.693 1172 2HD1 LEU 38 2HD1 LEU 38 15.494 2.048 15.724 1173 3HD1 LEU 38 3HD1 LEU 38 17.130 2.512 15.200 1174 1HD2 LEU 38 1HD2 LEU 38 15.664 2.765 13.130 1175 2HD2 LEU 38 2HD2 LEU 38 15.048 4.410 12.840 1176 3HD2 LEU 38 3HD2 LEU 38 16.793 4.140 13.068 1177 H VAL 39 H VAL 39 11.631 5.978 14.653 1178 HA VAL 39 HA VAL 39 12.642 7.823 12.759 1179 HB VAL 39 HB VAL 39 10.684 6.185 12.589 1180 1HG1 VAL 39 1HG1 VAL 39 8.787 8.292 13.373 1181 2HG1 VAL 39 2HG1 VAL 39 8.742 6.537 13.667 1182 3HG1 VAL 39 3HG1 VAL 39 9.693 7.595 14.737 1183 1HG2 VAL 39 1HG2 VAL 39 9.975 7.303 10.742 1184 2HG2 VAL 39 2HG2 VAL 39 9.724 8.829 11.623 1185 3HG2 VAL 39 3HG2 VAL 39 11.364 8.347 11.126 1186 H ASN 40 H ASN 40 11.295 8.048 16.018 1187 HA ASN 40 HA ASN 40 10.457 10.693 15.859 1188 1HB ASN 40 1HB ASN 40 9.718 9.335 17.727 1189 2HB ASN 40 2HB ASN 40 11.359 8.908 18.165 1190 1HD2 ASN 40 1HD2 ASN 40 12.703 10.401 19.177 1191 2HD2 ASN 40 2HD2 ASN 40 12.101 11.808 19.989 1192 H LEU 41 H LEU 41 13.581 9.193 15.838 1193 HA LEU 41 HA LEU 41 14.901 11.543 16.952 1194 1HB LEU 41 1HB LEU 41 15.397 8.772 17.027 1195 2HB LEU 41 2HB LEU 41 16.667 9.459 16.034 1196 HG LEU 41 HG LEU 41 16.127 10.911 18.558 1197 1HD1 LEU 41 1HD1 LEU 41 16.201 9.185 19.948 1198 2HD1 LEU 41 2HD1 LEU 41 16.426 8.047 18.598 1199 3HD1 LEU 41 3HD1 LEU 41 17.839 8.822 19.354 1200 1HD2 LEU 41 1HD2 LEU 41 18.834 9.944 17.898 1201 2HD2 LEU 41 2HD2 LEU 41 18.080 10.985 16.667 1202 3HD2 LEU 41 3HD2 LEU 41 18.262 11.571 18.337 1203 H ILE 42 H ILE 42 14.885 9.472 13.973 1204 HA ILE 42 HA ILE 42 16.641 10.830 12.443 1205 HB ILE 42 HB ILE 42 13.993 9.621 11.643 1206 1HG1 ILE 42 1HG1 ILE 42 15.364 8.006 12.764 1207 2HG1 ILE 42 2HG1 ILE 42 15.401 7.662 11.046 1208 1HG2 ILE 42 1HG2 ILE 42 16.334 9.976 9.789 1209 2HG2 ILE 42 2HG2 ILE 42 14.623 9.667 9.410 1210 3HG2 ILE 42 3HG2 ILE 42 15.129 11.269 9.999 1211 1HD1 ILE 42 1HD1 ILE 42 17.669 7.608 11.340 1212 2HD1 ILE 42 2HD1 ILE 42 17.544 9.382 11.264 1213 3HD1 ILE 42 3HD1 ILE 42 17.591 8.560 12.842 1214 H GLU 43 H GLU 43 16.879 13.024 12.474 1215 HA GLU 43 HA GLU 43 14.898 14.832 12.873 1216 1HB GLU 43 1HB GLU 43 17.669 14.854 12.074 1217 2HB GLU 43 2HB GLU 43 16.808 15.999 11.065 1218 1HG GLU 43 1HG GLU 43 15.760 16.949 13.205 1219 2HG GLU 43 2HG GLU 43 16.853 15.925 14.116 1220 HA PRO 44 HA PRO 44 14.301 15.073 8.176 1221 1HB PRO 44 1HB PRO 44 15.549 13.282 6.533 1222 2HB PRO 44 2HB PRO 44 16.189 14.877 6.873 1223 1HG PRO 44 1HG PRO 44 17.092 12.260 7.907 1224 2HG PRO 44 2HG PRO 44 17.950 13.787 7.886 1225 1HD PRO 44 1HD PRO 44 16.676 12.566 10.147 1226 2HD PRO 44 2HD PRO 44 17.434 14.146 10.098 1227 H MET 45 H MET 45 12.225 14.517 8.856 1228 HA MET 45 HA MET 45 11.190 12.372 7.472 1229 1HB MET 45 1HB MET 45 12.546 11.383 9.632 1230 2HB MET 45 2HB MET 45 11.023 11.737 10.422 1231 1HG MET 45 1HG MET 45 10.183 9.799 9.592 1232 2HG MET 45 2HG MET 45 10.314 10.465 7.976 1233 1HE MET 45 1HE MET 45 11.475 7.000 9.440 1234 2HE MET 45 2HE MET 45 10.184 7.776 8.491 1235 3HE MET 45 3HE MET 45 11.522 6.946 7.661 1236 H LYS 46 H LYS 46 9.510 13.778 6.931 1237 HA LYS 46 HA LYS 46 8.293 15.601 8.536 1238 1HB LYS 46 1HB LYS 46 7.800 14.338 5.995 1239 2HB LYS 46 2HB LYS 46 6.284 14.506 6.857 1240 1HG LYS 46 1HG LYS 46 6.305 16.649 6.062 1241 2HG LYS 46 2HG LYS 46 7.421 16.960 7.377 1242 1HD LYS 46 1HD LYS 46 9.111 17.383 5.924 1243 2HD LYS 46 2HD LYS 46 8.896 15.827 5.146 1244 1HE LYS 46 1HE LYS 46 8.144 16.948 3.319 1245 2HE LYS 46 2HE LYS 46 6.695 17.322 4.231 1246 1HZ LYS 46 1HZ LYS 46 8.406 19.134 3.292 1247 2HZ LYS 46 2HZ LYS 46 7.360 19.407 4.516 1248 3HZ LYS 46 3HZ LYS 46 8.912 19.015 4.840 1249 H ALA 47 H ALA 47 6.911 12.307 7.845 1250 HA ALA 47 HA ALA 47 6.345 11.915 10.619 1251 1HB ALA 47 1HB ALA 47 3.771 11.628 9.575 1252 2HB ALA 47 2HB ALA 47 4.338 12.945 10.631 1253 3HB ALA 47 3HB ALA 47 4.352 13.153 8.863 1254 H PHE 48 H PHE 48 6.106 9.720 11.050 1255 HA PHE 48 HA PHE 48 5.883 8.002 8.681 1256 1HB PHE 48 1HB PHE 48 8.217 8.027 9.472 1257 2HB PHE 48 2HB PHE 48 7.709 7.932 11.147 1258 HD1 PHE 48 HD1 PHE 48 8.250 6.042 8.067 1259 HD2 PHE 48 HD2 PHE 48 7.007 5.813 12.118 1260 HE1 PHE 48 HE1 PHE 48 8.479 3.544 7.996 1261 HE2 PHE 48 HE2 PHE 48 7.235 3.314 12.046 1262 HZ PHE 48 HZ PHE 48 7.968 2.210 9.986 1263 H HIS 49 H HIS 49 4.087 6.748 8.800 1264 HA HIS 49 HA HIS 49 3.225 5.966 11.490 1265 1HB HIS 49 1HB HIS 49 0.919 6.026 10.686 1266 2HB HIS 49 2HB HIS 49 1.688 7.597 10.568 1267 HD1 HIS 49 HD1 HIS 49 1.687 8.721 8.301 1268 HD2 HIS 49 HD2 HIS 49 0.685 4.654 8.093 1269 HE1 HIS 49 HE1 HIS 49 0.943 8.291 5.899 1270 HE2 HIS 49 HE2 HIS 49 0.393 5.764 5.818 1271 H TRP 50 H TRP 50 1.878 3.876 11.453 1272 HA TRP 50 HA TRP 50 2.951 2.090 9.377 1273 1HB TRP 50 1HB TRP 50 3.273 0.375 10.978 1274 2HB TRP 50 2HB TRP 50 4.092 1.812 11.557 1275 HD1 TRP 50 HD1 TRP 50 2.161 3.330 13.312 1276 HE1 TRP 50 HE1 TRP 50 0.890 2.395 15.427 1277 HE3 TRP 50 HE3 TRP 50 2.516 -1.572 12.010 1278 HZ2 TRP 50 HZ2 TRP 50 0.191 -0.231 16.299 1279 HZ3 TRP 50 HZ3 TRP 50 1.513 -3.258 13.549 1280 HH2 TRP 50 HH2 TRP 50 0.381 -2.655 15.629 1281 H GLY 51 H GLY 51 1.429 0.719 8.424 1282 1HA GLY 51 1HA GLY 51 -1.348 1.050 9.387 1283 2HA GLY 51 2HA GLY 51 -0.878 0.834 7.713 1284 H LYS 52 H LYS 52 -2.551 -0.776 9.843 1285 HA LYS 52 HA LYS 52 -1.142 -3.324 9.476 1286 1HB LYS 52 1HB LYS 52 -2.225 -4.130 11.424 1287 2HB LYS 52 2HB LYS 52 -1.593 -2.547 11.826 1288 1HG LYS 52 1HG LYS 52 -3.674 -1.676 12.177 1289 2HG LYS 52 2HG LYS 52 -4.317 -2.387 10.710 1290 1HD LYS 52 1HD LYS 52 -3.936 -3.805 13.389 1291 2HD LYS 52 2HD LYS 52 -5.465 -3.336 12.673 1292 1HE LYS 52 1HE LYS 52 -4.567 -4.820 10.616 1293 2HE LYS 52 2HE LYS 52 -3.599 -5.568 11.870 1294 1HZ LYS 52 1HZ LYS 52 -6.413 -5.712 11.441 1295 2HZ LYS 52 2HZ LYS 52 -5.424 -6.751 12.223 1296 3HZ LYS 52 3HZ LYS 52 -6.015 -5.443 13.002 1297 H ASP 53 H ASP 53 -2.312 -5.144 8.666 1298 HA ASP 53 HA ASP 53 -4.699 -4.308 7.220 1299 1HB ASP 53 1HB ASP 53 -2.981 -6.734 6.577 1300 2HB ASP 53 2HB ASP 53 -4.145 -5.942 5.534 1301 H VAL 54 H VAL 54 -6.313 -6.211 6.868 1302 HA VAL 54 HA VAL 54 -6.385 -7.821 9.318 1303 HB VAL 54 HB VAL 54 -8.800 -7.961 8.882 1304 1HG1 VAL 54 1HG1 VAL 54 -8.045 -6.237 10.379 1305 2HG1 VAL 54 2HG1 VAL 54 -7.618 -5.169 9.020 1306 3HG1 VAL 54 3HG1 VAL 54 -9.325 -5.551 9.350 1307 1HG2 VAL 54 1HG2 VAL 54 -8.640 -7.690 6.395 1308 2HG2 VAL 54 2HG2 VAL 54 -9.879 -6.667 7.161 1309 3HG2 VAL 54 3HG2 VAL 54 -8.328 -5.956 6.652 1310 H SER 55 H SER 55 -6.734 -10.073 9.205 1311 HA SER 55 HA SER 55 -7.468 -11.483 7.027 1312 1HB SER 55 1HB SER 55 -4.792 -10.442 6.671 1313 2HB SER 55 2HB SER 55 -4.692 -12.185 6.827 1314 HG SER 55 HG SER 55 -6.343 -12.351 5.136 1315 H ILE 56 H ILE 56 -6.688 -13.907 7.222 1316 HA ILE 56 HA ILE 56 -6.181 -14.423 10.070 1317 HB ILE 56 HB ILE 56 -7.517 -16.420 9.847 1318 1HG1 ILE 56 1HG1 ILE 56 -8.767 -15.902 7.285 1319 2HG1 ILE 56 2HG1 ILE 56 -7.041 -16.130 7.084 1320 1HG2 ILE 56 1HG2 ILE 56 -8.890 -13.900 8.877 1321 2HG2 ILE 56 2HG2 ILE 56 -9.737 -15.355 9.455 1322 3HG2 ILE 56 3HG2 ILE 56 -8.678 -14.445 10.558 1323 1HD1 ILE 56 1HD1 ILE 56 -9.039 -18.033 8.363 1324 2HD1 ILE 56 2HD1 ILE 56 -7.972 -18.326 6.968 1325 3HD1 ILE 56 3HD1 ILE 56 -7.285 -18.211 8.606 1326 H GLU 57 H GLU 57 -4.457 -14.099 7.435 1327 HA GLU 57 HA GLU 57 -2.561 -14.907 6.747 1328 1HB GLU 57 1HB GLU 57 -2.710 -16.884 9.066 1329 2HB GLU 57 2HB GLU 57 -1.278 -16.533 8.118 1330 1HG GLU 57 1HG GLU 57 -1.005 -15.149 10.015 1331 2HG GLU 57 2HG GLU 57 -1.648 -14.044 8.817 1332 H ASN 58 H ASN 58 -4.041 -15.594 4.919 1333 HA ASN 58 HA ASN 58 -3.694 -18.433 4.548 1334 1HB ASN 58 1HB ASN 58 -6.124 -17.752 5.400 1335 2HB ASN 58 2HB ASN 58 -6.347 -17.171 3.761 1336 1HD2 ASN 58 1HD2 ASN 58 -7.235 -18.541 2.435 1337 2HD2 ASN 58 2HD2 ASN 58 -7.124 -20.269 2.468 1338 H LEU 59 H LEU 59 -5.074 -15.342 3.196 1339 HA LEU 59 HA LEU 59 -3.715 -15.979 0.669 1340 1HB LEU 59 1HB LEU 59 -6.403 -14.769 1.230 1341 2HB LEU 59 2HB LEU 59 -5.553 -14.393 -0.256 1342 HG LEU 59 HG LEU 59 -5.918 -17.272 0.495 1343 1HD1 LEU 59 1HD1 LEU 59 -8.113 -15.615 0.523 1344 2HD1 LEU 59 2HD1 LEU 59 -8.098 -16.214 -1.153 1345 3HD1 LEU 59 3HD1 LEU 59 -8.130 -17.366 0.203 1346 1HD2 LEU 59 1HD2 LEU 59 -5.955 -17.604 -1.898 1347 2HD2 LEU 59 2HD2 LEU 59 -5.976 -15.846 -2.178 1348 3HD2 LEU 59 3HD2 LEU 59 -4.543 -16.615 -1.454 1349 H HIS 60 H HIS 60 -1.762 -14.965 1.420 1350 HA HIS 60 HA HIS 60 -1.715 -12.209 0.851 1351 1HB HIS 60 1HB HIS 60 -1.155 -11.275 2.964 1352 2HB HIS 60 2HB HIS 60 -2.665 -12.143 3.157 1353 HD1 HIS 60 HD1 HIS 60 0.717 -11.867 4.548 1354 HD2 HIS 60 HD2 HIS 60 -2.316 -14.765 4.482 1355 HE1 HIS 60 HE1 HIS 60 1.276 -13.529 6.401 1356 HE2 HIS 60 HE2 HIS 60 -0.652 -15.255 6.348 1357 H GLN 61 H GLN 61 0.511 -11.396 0.748 1358 HA GLN 61 HA GLN 61 2.363 -13.639 0.618 1359 1HB GLN 61 1HB GLN 61 1.733 -11.533 -1.218 1360 2HB GLN 61 2HB GLN 61 3.374 -11.251 -0.674 1361 1HG GLN 61 1HG GLN 61 3.280 -12.742 -2.685 1362 2HG GLN 61 2HG GLN 61 4.050 -13.518 -1.315 1363 1HE2 GLN 61 1HE2 GLN 61 1.128 -13.269 -3.234 1364 2HE2 GLN 61 2HE2 GLN 61 0.416 -14.785 -2.794 1365 H GLY 62 H GLY 62 1.458 -11.488 2.842 1366 1HA GLY 62 1HA GLY 62 2.815 -11.255 4.792 1367 2HA GLY 62 2HA GLY 62 4.222 -11.032 3.772 1368 H TYR 63 H TYR 63 1.602 -9.457 2.290 1369 HA TYR 63 HA TYR 63 2.695 -6.906 2.758 1370 1HB TYR 63 1HB TYR 63 -0.106 -7.800 1.832 1371 2HB TYR 63 2HB TYR 63 0.639 -6.259 1.454 1372 HD1 TYR 63 HD1 TYR 63 3.450 -7.863 1.064 1373 HD2 TYR 63 HD2 TYR 63 -0.473 -8.075 -0.629 1374 HE1 TYR 63 HE1 TYR 63 4.416 -8.856 -1.068 1375 HE2 TYR 63 HE2 TYR 63 0.506 -9.067 -2.755 1376 HH TYR 63 HH TYR 63 2.335 -9.501 -3.859 1377 H THR 64 H THR 64 0.551 -8.901 4.624 1378 HA THR 64 HA THR 64 -1.288 -7.349 5.755 1379 HB THR 64 HB THR 64 -0.847 -8.676 7.839 1380 HG1 THR 64 HG1 THR 64 1.587 -9.127 6.269 1381 1HG2 THR 64 1HG2 THR 64 -1.141 -9.803 5.188 1382 2HG2 THR 64 2HG2 THR 64 -0.028 -10.837 6.116 1383 3HG2 THR 64 3HG2 THR 64 -1.661 -10.503 6.740 1384 H HIS 65 H HIS 65 2.225 -6.902 6.105 1385 HA HIS 65 HA HIS 65 1.631 -4.621 7.842 1386 1HB HIS 65 1HB HIS 65 3.943 -6.513 7.645 1387 2HB HIS 65 2HB HIS 65 4.259 -4.866 8.154 1388 HD1 HIS 65 HD1 HIS 65 1.565 -7.450 9.096 1389 HD2 HIS 65 HD2 HIS 65 4.254 -4.763 10.870 1390 HE1 HIS 65 HE1 HIS 65 1.226 -7.658 11.617 1391 HE2 HIS 65 HE2 HIS 65 2.943 -6.024 12.654 1392 H ILE 66 H ILE 66 2.185 -2.554 7.192 1393 HA ILE 66 HA ILE 66 3.672 -2.357 4.672 1394 HB ILE 66 HB ILE 66 1.006 -1.180 5.380 1395 1HG1 ILE 66 1HG1 ILE 66 2.146 -2.722 3.046 1396 2HG1 ILE 66 2HG1 ILE 66 0.854 -3.192 4.131 1397 1HG2 ILE 66 1HG2 ILE 66 1.198 0.470 3.651 1398 2HG2 ILE 66 2HG2 ILE 66 2.550 0.687 4.788 1399 3HG2 ILE 66 3HG2 ILE 66 2.828 -0.100 3.216 1400 1HD1 ILE 66 1HD1 ILE 66 -0.360 -1.024 3.256 1401 2HD1 ILE 66 2HD1 ILE 66 0.805 -1.130 1.914 1402 3HD1 ILE 66 3HD1 ILE 66 -0.322 -2.472 2.221 1403 H PHE 67 H PHE 67 4.846 -0.330 4.406 1404 HA PHE 67 HA PHE 67 5.207 1.073 6.958 1405 1HB PHE 67 1HB PHE 67 7.187 0.043 4.848 1406 2HB PHE 67 2HB PHE 67 7.662 1.246 6.031 1407 HD1 PHE 67 HD1 PHE 67 6.300 -2.200 5.741 1408 HD2 PHE 67 HD2 PHE 67 8.410 0.589 8.144 1409 HE1 PHE 67 HE1 PHE 67 6.847 -4.023 7.377 1410 HE2 PHE 67 HE2 PHE 67 8.958 -1.234 9.780 1411 HZ PHE 67 HZ PHE 67 8.170 -3.519 9.377 1412 H GLU 68 H GLU 68 4.353 3.085 6.648 1413 HA GLU 68 HA GLU 68 4.797 4.284 4.036 1414 1HB GLU 68 1HB GLU 68 2.450 4.023 5.345 1415 2HB GLU 68 2HB GLU 68 2.963 5.538 6.060 1416 1HG GLU 68 1HG GLU 68 2.022 6.486 4.201 1417 2HG GLU 68 2HG GLU 68 3.523 6.038 3.415 1418 H SER 69 H SER 69 6.324 5.866 3.839 1419 HA SER 69 HA SER 69 7.010 7.289 6.290 1420 1HB SER 69 1HB SER 69 9.324 7.386 4.749 1421 2HB SER 69 2HB SER 69 9.060 6.337 6.128 1422 HG SER 69 HG SER 69 9.153 4.672 4.801 1423 H THR 70 H THR 70 6.520 9.439 6.076 1424 HA THR 70 HA THR 70 6.027 10.517 3.449 1425 HB THR 70 HB THR 70 5.935 11.752 6.254 1426 HG1 THR 70 HG1 THR 70 4.050 10.466 4.408 1427 1HG2 THR 70 1HG2 THR 70 4.062 13.094 4.935 1428 2HG2 THR 70 2HG2 THR 70 5.758 13.615 4.796 1429 3HG2 THR 70 3HG2 THR 70 5.016 12.646 3.500 1430 H PHE 71 H PHE 71 7.414 11.554 2.164 1431 HA PHE 71 HA PHE 71 9.763 12.740 3.453 1432 1HB PHE 71 1HB PHE 71 9.486 10.964 0.962 1433 2HB PHE 71 2HB PHE 71 10.923 11.927 1.244 1434 HD1 PHE 71 HD1 PHE 71 9.827 8.739 1.408 1435 HD2 PHE 71 HD2 PHE 71 11.673 11.609 3.930 1436 HE1 PHE 71 HE1 PHE 71 10.792 6.890 2.805 1437 HE2 PHE 71 HE2 PHE 71 12.638 9.760 5.327 1438 HZ PHE 71 HZ PHE 71 12.186 7.423 4.748 1439 H GLU 72 H GLU 72 10.540 14.672 2.502 1440 HA GLU 72 HA GLU 72 8.624 16.226 1.276 1441 1HB GLU 72 1HB GLU 72 10.620 17.782 0.817 1442 2HB GLU 72 2HB GLU 72 10.340 17.338 2.489 1443 1HG GLU 72 1HG GLU 72 12.223 15.966 2.598 1444 2HG GLU 72 2HG GLU 72 12.152 15.542 0.899 1445 H SER 73 H SER 73 11.072 14.027 -0.040 1446 HA SER 73 HA SER 73 9.853 13.852 -2.478 1447 1HB SER 73 1HB SER 73 11.704 15.003 -3.887 1448 2HB SER 73 2HB SER 73 10.475 16.022 -3.165 1449 HG SER 73 HG SER 73 12.895 15.494 -1.714 1450 H LYS 74 H LYS 74 11.275 12.569 -4.080 1451 HA LYS 74 HA LYS 74 12.432 10.433 -2.857 1452 1HB LYS 74 1HB LYS 74 13.171 9.767 -5.004 1453 2HB LYS 74 2HB LYS 74 11.684 10.660 -5.253 1454 1HG LYS 74 1HG LYS 74 13.006 12.711 -5.809 1455 2HG LYS 74 2HG LYS 74 14.494 11.823 -5.553 1456 1HD LYS 74 1HD LYS 74 14.332 10.692 -7.554 1457 2HD LYS 74 2HD LYS 74 12.593 10.512 -7.435 1458 1HE LYS 74 1HE LYS 74 13.015 12.005 -9.291 1459 2HE LYS 74 2HE LYS 74 12.359 12.984 -7.994 1460 1HZ LYS 74 1HZ LYS 74 14.729 13.364 -9.269 1461 2HZ LYS 74 2HZ LYS 74 14.224 14.130 -7.918 1462 3HZ LYS 74 3HZ LYS 74 15.163 12.799 -7.799 1463 H GLU 75 H GLU 75 13.839 13.613 -3.597 1464 HA GLU 75 HA GLU 75 16.489 12.963 -3.445 1465 1HB GLU 75 1HB GLU 75 14.948 15.468 -2.683 1466 2HB GLU 75 2HB GLU 75 16.694 15.402 -2.545 1467 1HG GLU 75 1HG GLU 75 16.330 14.378 -5.088 1468 2HG GLU 75 2HG GLU 75 14.990 15.503 -4.987 1469 H ALA 76 H ALA 76 14.045 13.314 -0.879 1470 HA ALA 76 HA ALA 76 15.968 13.389 1.236 1471 1HB ALA 76 1HB ALA 76 13.959 13.197 2.661 1472 2HB ALA 76 2HB ALA 76 13.743 14.442 1.408 1473 3HB ALA 76 3HB ALA 76 12.970 12.850 1.223 1474 H VAL 77 H VAL 77 13.961 10.922 -0.440 1475 HA VAL 77 HA VAL 77 14.272 8.822 1.290 1476 HB VAL 77 HB VAL 77 14.198 8.891 -1.731 1477 1HG1 VAL 77 1HG1 VAL 77 14.613 6.662 0.074 1478 2HG1 VAL 77 2HG1 VAL 77 13.080 6.479 -0.811 1479 3HG1 VAL 77 3HG1 VAL 77 14.603 6.695 -1.706 1480 1HG2 VAL 77 1HG2 VAL 77 12.006 8.468 0.329 1481 2HG2 VAL 77 2HG2 VAL 77 12.257 9.930 -0.655 1482 3HG2 VAL 77 3HG2 VAL 77 11.806 8.397 -1.439 1483 H ALA 78 H ALA 78 16.631 10.367 -0.860 1484 HA ALA 78 HA ALA 78 18.492 8.218 -0.781 1485 1HB ALA 78 1HB ALA 78 18.553 9.760 -2.622 1486 2HB ALA 78 2HB ALA 78 18.664 11.160 -1.529 1487 3HB ALA 78 3HB ALA 78 20.034 10.032 -1.673 1488 H GLU 79 H GLU 79 17.753 11.082 1.216 1489 HA GLU 79 HA GLU 79 20.172 10.971 2.648 1490 1HB GLU 79 1HB GLU 79 18.356 12.895 2.367 1491 2HB GLU 79 2HB GLU 79 17.643 12.166 3.792 1492 1HG GLU 79 1HG GLU 79 19.619 12.548 5.114 1493 2HG GLU 79 2HG GLU 79 20.602 12.874 3.700 1494 H TYR 80 H TYR 80 16.951 9.467 2.968 1495 HA TYR 80 HA TYR 80 17.267 8.600 5.634 1496 1HB TYR 80 1HB TYR 80 15.181 8.815 4.051 1497 2HB TYR 80 2HB TYR 80 15.725 7.334 3.290 1498 HD1 TYR 80 HD1 TYR 80 15.798 8.147 6.933 1499 HD2 TYR 80 HD2 TYR 80 13.987 5.832 3.824 1500 HE1 TYR 80 HE1 TYR 80 14.538 6.785 8.671 1501 HE2 TYR 80 HE2 TYR 80 12.734 4.478 5.573 1502 HH TYR 80 HH TYR 80 13.508 4.133 8.478 1503 H ILE 81 H ILE 81 17.667 6.897 2.446 1504 HA ILE 81 HA ILE 81 18.502 4.486 3.574 1505 HB ILE 81 HB ILE 81 19.090 5.661 0.854 1506 1HG1 ILE 81 1HG1 ILE 81 16.895 3.695 1.441 1507 2HG1 ILE 81 2HG1 ILE 81 16.631 5.401 1.741 1508 1HG2 ILE 81 1HG2 ILE 81 20.552 3.758 1.472 1509 2HG2 ILE 81 2HG2 ILE 81 19.100 2.763 1.737 1510 3HG2 ILE 81 3HG2 ILE 81 19.462 3.396 0.113 1511 1HD1 ILE 81 1HD1 ILE 81 17.884 4.721 -0.892 1512 2HD1 ILE 81 2HD1 ILE 81 16.183 4.243 -0.674 1513 3HD1 ILE 81 3HD1 ILE 81 16.658 5.950 -0.500 1514 H ALA 82 H ALA 82 20.187 7.534 2.864 1515 HA ALA 82 HA ALA 82 22.797 6.455 3.044 1516 1HB ALA 82 1HB ALA 82 23.474 8.797 3.104 1517 2HB ALA 82 2HB ALA 82 22.171 8.593 1.909 1518 3HB ALA 82 3HB ALA 82 21.814 9.299 3.504 1519 H HIS 83 H HIS 83 20.331 7.496 5.363 1520 HA HIS 83 HA HIS 83 21.976 8.020 7.527 1521 1HB HIS 83 1HB HIS 83 19.293 8.082 7.023 1522 2HB HIS 83 2HB HIS 83 19.391 6.697 8.093 1523 HD1 HIS 83 HD1 HIS 83 19.994 7.122 10.577 1524 HD2 HIS 83 HD2 HIS 83 19.992 10.584 8.209 1525 HE1 HIS 83 HE1 HIS 83 20.105 9.094 12.193 1526 HE2 HIS 83 HE2 HIS 83 20.156 11.191 10.678 1527 HA PRO 84 HA PRO 84 23.471 4.041 8.420 1528 1HB PRO 84 1HB PRO 84 24.740 4.596 10.776 1529 2HB PRO 84 2HB PRO 84 25.460 4.894 9.207 1530 1HG PRO 84 1HG PRO 84 24.309 6.835 11.116 1531 2HG PRO 84 2HG PRO 84 25.394 7.129 9.771 1532 1HD PRO 84 1HD PRO 84 22.573 7.644 9.845 1533 2HD PRO 84 2HD PRO 84 23.636 7.828 8.464 1534 H ALA 85 H ALA 85 21.598 5.823 10.748 1535 HA ALA 85 HA ALA 85 21.123 3.677 12.477 1536 1HB ALA 85 1HB ALA 85 20.693 6.265 12.670 1537 2HB ALA 85 2HB ALA 85 19.111 5.865 11.959 1538 3HB ALA 85 3HB ALA 85 19.606 5.127 13.502 1539 H HIS 86 H HIS 86 19.542 4.791 9.447 1540 HA HIS 86 HA HIS 86 17.409 2.932 9.695 1541 1HB HIS 86 1HB HIS 86 16.923 4.878 8.483 1542 2HB HIS 86 2HB HIS 86 18.399 4.787 7.542 1543 HD1 HIS 86 HD1 HIS 86 16.306 1.681 7.877 1544 HD2 HIS 86 HD2 HIS 86 16.894 4.799 5.133 1545 HE1 HIS 86 HE1 HIS 86 15.169 0.951 5.712 1546 HE2 HIS 86 HE2 HIS 86 15.517 2.930 4.082 1547 H VAL 87 H VAL 87 20.533 3.083 7.890 1548 HA VAL 87 HA VAL 87 20.182 0.739 6.438 1549 HB VAL 87 HB VAL 87 22.475 2.423 7.334 1550 1HG1 VAL 87 1HG1 VAL 87 23.701 0.502 7.578 1551 2HG1 VAL 87 2HG1 VAL 87 22.674 -0.432 6.464 1552 3HG1 VAL 87 3HG1 VAL 87 23.861 0.727 5.820 1553 1HG2 VAL 87 1HG2 VAL 87 21.047 2.935 5.325 1554 2HG2 VAL 87 2HG2 VAL 87 22.786 2.778 4.983 1555 3HG2 VAL 87 3HG2 VAL 87 21.676 1.448 4.574 1556 H GLU 88 H GLU 88 21.632 1.331 9.701 1557 HA GLU 88 HA GLU 88 22.418 -1.271 10.134 1558 1HB GLU 88 1HB GLU 88 22.743 1.027 11.486 1559 2HB GLU 88 2HB GLU 88 21.416 0.390 12.436 1560 1HG GLU 88 1HG GLU 88 23.057 -0.710 13.591 1561 2HG GLU 88 2HG GLU 88 22.996 -1.850 12.262 1562 H PHE 89 H PHE 89 19.256 0.356 10.553 1563 HA PHE 89 HA PHE 89 18.097 -1.834 11.959 1564 1HB PHE 89 1HB PHE 89 17.556 0.888 11.306 1565 2HB PHE 89 2HB PHE 89 16.322 0.000 10.434 1566 HD1 PHE 89 HD1 PHE 89 17.883 -0.343 13.818 1567 HD2 PHE 89 HD2 PHE 89 14.315 0.004 11.548 1568 HE1 PHE 89 HE1 PHE 89 16.527 -0.525 15.922 1569 HE2 PHE 89 HE2 PHE 89 12.959 -0.178 13.652 1570 HZ PHE 89 HZ PHE 89 14.081 -0.441 15.814 1571 H ALA 90 H ALA 90 17.978 -0.575 8.563 1572 HA ALA 90 HA ALA 90 16.118 -2.376 7.590 1573 1HB ALA 90 1HB ALA 90 16.547 -1.269 5.670 1574 2HB ALA 90 2HB ALA 90 17.691 -0.291 6.621 1575 3HB ALA 90 3HB ALA 90 18.272 -1.706 5.710 1576 H THR 91 H THR 91 19.591 -2.726 8.320 1577 HA THR 91 HA THR 91 19.907 -5.170 6.897 1578 HB THR 91 HB THR 91 21.502 -3.878 9.174 1579 HG1 THR 91 HG1 THR 91 22.629 -3.002 7.300 1580 1HG2 THR 91 1HG2 THR 91 22.273 -5.930 7.032 1581 2HG2 THR 91 2HG2 THR 91 23.414 -5.127 8.137 1582 3HG2 THR 91 3HG2 THR 91 22.188 -6.245 8.781 1583 H ILE 92 H ILE 92 18.964 -4.291 10.241 1584 HA ILE 92 HA ILE 92 19.091 -6.971 11.166 1585 HB ILE 92 HB ILE 92 17.964 -4.393 12.207 1586 1HG1 ILE 92 1HG1 ILE 92 19.993 -6.153 13.554 1587 2HG1 ILE 92 2HG1 ILE 92 20.480 -5.152 12.200 1588 1HG2 ILE 92 1HG2 ILE 92 16.474 -5.478 13.450 1589 2HG2 ILE 92 2HG2 ILE 92 17.099 -7.065 12.942 1590 3HG2 ILE 92 3HG2 ILE 92 17.845 -6.213 14.315 1591 1HD1 ILE 92 1HD1 ILE 92 20.782 -3.552 13.812 1592 2HD1 ILE 92 2HD1 ILE 92 19.023 -3.330 13.652 1593 3HD1 ILE 92 3HD1 ILE 92 19.676 -4.355 14.952 1594 H PHE 93 H PHE 93 16.625 -4.899 9.621 1595 HA PHE 93 HA PHE 93 14.438 -6.560 10.189 1596 1HB PHE 93 1HB PHE 93 15.243 -4.305 8.367 1597 2HB PHE 93 2HB PHE 93 13.907 -5.268 7.768 1598 HD1 PHE 93 HD1 PHE 93 11.773 -4.629 8.359 1599 HD2 PHE 93 HD2 PHE 93 14.988 -3.591 10.928 1600 HE1 PHE 93 HE1 PHE 93 10.190 -3.342 9.821 1601 HE2 PHE 93 HE2 PHE 93 13.404 -2.304 12.390 1602 HZ PHE 93 HZ PHE 93 11.024 -2.195 11.819 1603 H LEU 94 H LEU 94 16.479 -6.208 7.197 1604 HA LEU 94 HA LEU 94 15.217 -8.201 5.751 1605 1HB LEU 94 1HB LEU 94 16.933 -7.981 4.232 1606 2HB LEU 94 2HB LEU 94 16.879 -6.415 5.018 1607 HG LEU 94 HG LEU 94 18.751 -7.490 6.563 1608 1HD1 LEU 94 1HD1 LEU 94 19.510 -9.477 5.942 1609 2HD1 LEU 94 2HD1 LEU 94 18.394 -9.500 4.555 1610 3HD1 LEU 94 3HD1 LEU 94 20.015 -8.785 4.381 1611 1HD2 LEU 94 1HD2 LEU 94 18.961 -5.465 5.171 1612 2HD2 LEU 94 2HD2 LEU 94 20.437 -6.460 5.157 1613 3HD2 LEU 94 3HD2 LEU 94 19.332 -6.487 3.762 1614 H GLY 95 H GLY 95 17.433 -8.367 8.477 1615 1HA GLY 95 1HA GLY 95 18.538 -10.900 8.091 1616 2HA GLY 95 2HA GLY 95 18.273 -10.103 9.629 1617 H SER 96 H SER 96 15.252 -9.889 8.900 1618 HA SER 96 HA SER 96 14.538 -12.680 9.023 1619 1HB SER 96 1HB SER 96 13.928 -10.659 11.215 1620 2HB SER 96 2HB SER 96 12.979 -12.117 11.009 1621 HG SER 96 HG SER 96 15.799 -11.917 11.612 1622 H LEU 97 H LEU 97 14.222 -10.894 6.875 1623 HA LEU 97 HA LEU 97 11.347 -10.301 7.017 1624 1HB LEU 97 1HB LEU 97 13.451 -8.535 6.561 1625 2HB LEU 97 2HB LEU 97 12.816 -8.865 4.961 1626 HG LEU 97 HG LEU 97 10.492 -8.397 6.241 1627 1HD1 LEU 97 1HD1 LEU 97 12.536 -6.719 7.721 1628 2HD1 LEU 97 2HD1 LEU 97 10.772 -6.484 7.773 1629 3HD1 LEU 97 3HD1 LEU 97 11.489 -7.983 8.410 1630 1HD2 LEU 97 1HD2 LEU 97 11.249 -5.830 5.572 1631 2HD2 LEU 97 2HD2 LEU 97 12.334 -6.840 4.587 1632 3HD2 LEU 97 3HD2 LEU 97 10.571 -7.049 4.465 1633 H ASP 98 H ASP 98 10.109 -11.571 5.750 1634 HA ASP 98 HA ASP 98 11.226 -13.542 4.186 1635 1HB ASP 98 1HB ASP 98 9.070 -14.185 4.511 1636 2HB ASP 98 2HB ASP 98 8.572 -12.544 4.874 1637 H LYS 99 H LYS 99 9.338 -10.571 3.203 1638 HA LYS 99 HA LYS 99 11.084 -10.260 0.910 1639 1HB LYS 99 1HB LYS 99 8.102 -10.734 0.643 1640 2HB LYS 99 2HB LYS 99 9.107 -10.068 -0.628 1641 1HG LYS 99 1HG LYS 99 10.615 -12.235 -0.077 1642 2HG LYS 99 2HG LYS 99 9.088 -12.857 0.516 1643 1HD LYS 99 1HD LYS 99 9.313 -11.576 -2.236 1644 2HD LYS 99 2HD LYS 99 9.680 -13.271 -1.988 1645 1HE LYS 99 1HE LYS 99 7.151 -12.601 -0.687 1646 2HE LYS 99 2HE LYS 99 7.110 -12.099 -2.365 1647 1HZ LYS 99 1HZ LYS 99 7.914 -14.778 -1.463 1648 2HZ LYS 99 2HZ LYS 99 6.434 -14.397 -2.038 1649 3HZ LYS 99 3HZ LYS 99 7.740 -14.295 -3.014 1650 H VAL 100 H VAL 100 10.784 -8.103 -0.123 1651 HA VAL 100 HA VAL 100 9.194 -6.216 1.370 1652 HB VAL 100 HB VAL 100 10.904 -5.894 2.808 1653 1HG1 VAL 100 1HG1 VAL 100 13.259 -6.346 2.392 1654 2HG1 VAL 100 2HG1 VAL 100 12.276 -7.738 1.880 1655 3HG1 VAL 100 3HG1 VAL 100 12.931 -6.615 0.664 1656 1HG2 VAL 100 1HG2 VAL 100 11.835 -3.854 2.371 1657 2HG2 VAL 100 2HG2 VAL 100 12.376 -4.322 0.741 1658 3HG2 VAL 100 3HG2 VAL 100 10.668 -3.911 1.027 1659 H LEU 101 H LEU 101 8.320 -4.815 -0.071 1660 HA LEU 101 HA LEU 101 9.857 -4.288 -2.508 1661 1HB LEU 101 1HB LEU 101 6.994 -5.198 -2.297 1662 2HB LEU 101 2HB LEU 101 7.595 -4.327 -3.694 1663 HG LEU 101 HG LEU 101 7.704 -6.569 -4.323 1664 1HD1 LEU 101 1HD1 LEU 101 9.963 -5.113 -4.318 1665 2HD1 LEU 101 2HD1 LEU 101 10.511 -6.510 -3.360 1666 3HD1 LEU 101 3HD1 LEU 101 9.855 -6.755 -4.996 1667 1HD2 LEU 101 1HD2 LEU 101 7.521 -8.159 -2.787 1668 2HD2 LEU 101 2HD2 LEU 101 9.255 -7.963 -2.434 1669 3HD2 LEU 101 3HD2 LEU 101 8.047 -7.047 -1.501 1670 H VAL 102 H VAL 102 9.995 -2.148 -3.012 1671 HA VAL 102 HA VAL 102 8.434 -0.351 -1.312 1672 HB VAL 102 HB VAL 102 10.127 1.303 -1.874 1673 1HG1 VAL 102 1HG1 VAL 102 12.182 -0.218 -1.020 1674 2HG1 VAL 102 2HG1 VAL 102 10.861 0.324 0.043 1675 3HG1 VAL 102 3HG1 VAL 102 10.831 -1.316 -0.649 1676 1HG2 VAL 102 1HG2 VAL 102 11.155 1.095 -3.857 1677 2HG2 VAL 102 2HG2 VAL 102 12.233 -0.062 -3.041 1678 3HG2 VAL 102 3HG2 VAL 102 10.819 -0.651 -3.947 1679 H ILE 103 H ILE 103 6.789 0.833 -2.152 1680 HA ILE 103 HA ILE 103 6.830 1.396 -5.005 1681 HB ILE 103 HB ILE 103 4.392 0.184 -3.720 1682 1HG1 ILE 103 1HG1 ILE 103 6.313 -1.423 -3.689 1683 2HG1 ILE 103 2HG1 ILE 103 4.932 -1.944 -4.633 1684 1HG2 ILE 103 1HG2 ILE 103 5.186 0.740 -6.589 1685 2HG2 ILE 103 2HG2 ILE 103 3.742 -0.175 -6.094 1686 3HG2 ILE 103 3HG2 ILE 103 3.907 1.540 -5.645 1687 1HD1 ILE 103 1HD1 ILE 103 7.003 -0.376 -6.120 1688 2HD1 ILE 103 2HD1 ILE 103 7.477 -2.005 -5.582 1689 3HD1 ILE 103 3HD1 ILE 103 6.060 -1.794 -6.639 1690 H ASP 104 H ASP 104 5.974 3.401 -5.495 1691 HA ASP 104 HA ASP 104 5.193 4.925 -3.163 1692 1HB ASP 104 1HB ASP 104 6.997 5.576 -5.002 1693 2HB ASP 104 2HB ASP 104 5.602 6.067 -5.942 1694 H TYR 105 H TYR 105 3.084 5.816 -2.992 1695 HA TYR 105 HA TYR 105 1.287 5.253 -5.254 1696 1HB TYR 105 1HB TYR 105 0.502 3.938 -3.428 1697 2HB TYR 105 2HB TYR 105 1.209 5.010 -2.236 1698 HD1 TYR 105 HD1 TYR 105 -1.277 5.626 -4.984 1699 HD2 TYR 105 HD2 TYR 105 -0.462 5.714 -0.785 1700 HE1 TYR 105 HE1 TYR 105 -3.558 6.664 -4.556 1701 HE2 TYR 105 HE2 TYR 105 -2.745 6.752 -0.371 1702 HH TYR 105 HH TYR 105 -4.632 8.021 -2.893 1703 H LYS 106 H LYS 106 0.791 7.096 -6.334 1704 HA LYS 106 HA LYS 106 0.460 9.517 -4.701 1705 1HB LYS 106 1HB LYS 106 1.963 9.004 -7.166 1706 2HB LYS 106 2HB LYS 106 0.869 10.365 -7.308 1707 1HG LYS 106 1HG LYS 106 1.811 11.265 -5.119 1708 2HG LYS 106 2HG LYS 106 2.989 9.968 -5.146 1709 1HD LYS 106 1HD LYS 106 4.310 11.157 -6.550 1710 2HD LYS 106 2HD LYS 106 3.026 11.221 -7.741 1711 1HE LYS 106 1HE LYS 106 2.951 13.102 -5.362 1712 2HE LYS 106 2HE LYS 106 3.995 13.470 -6.721 1713 1HZ LYS 106 1HZ LYS 106 1.090 13.264 -6.673 1714 2HZ LYS 106 2HZ LYS 106 2.027 14.451 -7.290 1715 3HZ LYS 106 3HZ LYS 106 1.887 13.027 -8.078 1716 HA PRO 107 HA PRO 107 -3.611 9.635 -6.126 1717 1HB PRO 107 1HB PRO 107 -4.195 12.299 -5.952 1718 2HB PRO 107 2HB PRO 107 -4.195 11.226 -4.567 1719 1HG PRO 107 1HG PRO 107 -2.192 13.260 -5.335 1720 2HG PRO 107 2HG PRO 107 -2.436 12.493 -3.779 1721 1HD PRO 107 1HD PRO 107 -0.372 11.899 -5.679 1722 2HD PRO 107 2HD PRO 107 -0.687 11.055 -4.176 1723 H THR 108 H THR 108 -3.863 8.894 -8.161 1724 HA THR 108 HA THR 108 -3.889 11.010 -10.167 1725 HB THR 108 HB THR 108 -2.161 8.489 -10.235 1726 HG1 THR 108 HG1 THR 108 -1.801 11.368 -10.692 1727 1HG2 THR 108 1HG2 THR 108 -2.263 8.496 -12.516 1728 2HG2 THR 108 2HG2 THR 108 -3.531 9.743 -12.445 1729 3HG2 THR 108 3HG2 THR 108 -1.817 10.220 -12.527 1730 H SER 109 H SER 109 -6.182 10.233 -9.128 1731 HA SER 109 HA SER 109 -7.117 7.913 -10.531 1732 1HB SER 109 1HB SER 109 -9.346 8.664 -9.407 1733 2HB SER 109 2HB SER 109 -8.058 8.067 -8.380 1734 HG SER 109 HG SER 109 -7.583 10.135 -7.683 1735 H VAL 110 H VAL 110 -9.129 8.046 -11.922 1736 HA VAL 110 HA VAL 110 -8.928 10.400 -13.623 1737 HB VAL 110 HB VAL 110 -10.174 7.669 -13.945 1738 1HG1 VAL 110 1HG1 VAL 110 -10.880 8.262 -16.152 1739 2HG1 VAL 110 2HG1 VAL 110 -11.524 9.497 -15.045 1740 3HG1 VAL 110 3HG1 VAL 110 -10.095 9.856 -16.045 1741 1HG2 VAL 110 1HG2 VAL 110 -7.958 8.941 -15.569 1742 2HG2 VAL 110 2HG2 VAL 110 -7.647 7.984 -14.101 1743 3HG2 VAL 110 3HG2 VAL 110 -8.443 7.230 -15.503 1744 H SER 111 H SER 111 -10.690 11.766 -14.089 1745 HA SER 111 HA SER 111 -12.513 12.015 -11.969 1746 1HB SER 111 1HB SER 111 -13.422 13.542 -14.207 1747 2HB SER 111 2HB SER 111 -12.558 14.114 -12.794 1748 HG SER 111 HG SER 111 -11.321 14.660 -14.615 1749 H LEU 112 H LEU 112 -14.657 11.336 -11.794 1750 HA LEU 112 HA LEU 112 -15.527 9.376 -13.680 1751 1HB LEU 112 1HB LEU 112 -17.079 10.550 -11.378 1752 2HB LEU 112 2HB LEU 112 -17.334 9.010 -12.175 1753 HG LEU 112 HG LEU 112 -14.872 9.712 -10.553 1754 1HD1 LEU 112 1HD1 LEU 112 -17.294 8.073 -9.757 1755 2HD1 LEU 112 2HD1 LEU 112 -15.805 8.275 -8.802 1756 3HD1 LEU 112 3HD1 LEU 112 -16.851 9.678 -9.127 1757 1HD2 LEU 112 1HD2 LEU 112 -15.797 7.166 -11.889 1758 2HD2 LEU 112 2HD2 LEU 112 -14.265 8.045 -12.106 1759 3HD2 LEU 112 3HD2 LEU 112 -14.591 7.187 -10.581 Start of MODEL 15 1 1H GLY 1 1H GLY 1 -29.230 17.622 -0.760 2 1HA GLY 1 1HA GLY 1 -27.969 16.472 1.082 3 2HA GLY 1 2HA GLY 1 -27.100 17.758 0.269 4 H SER 2 H SER 2 -27.011 16.653 3.132 5 HA SER 2 HA SER 2 -26.659 19.156 4.352 6 1HB SER 2 1HB SER 2 -29.289 18.203 4.521 7 2HB SER 2 2HB SER 2 -28.586 17.702 6.045 8 HG SER 2 HG SER 2 -29.355 20.211 5.240 9 H HIS 3 H HIS 3 -24.842 18.800 5.571 10 HA HIS 3 HA HIS 3 -23.334 17.812 6.819 11 1HB HIS 3 1HB HIS 3 -25.724 16.217 7.766 12 2HB HIS 3 2HB HIS 3 -24.125 16.038 8.461 13 HD1 HIS 3 HD1 HIS 3 -27.103 17.568 9.340 14 HD2 HIS 3 HD2 HIS 3 -23.189 19.042 9.022 15 HE1 HIS 3 HE1 HIS 3 -27.010 19.669 10.786 16 HE2 HIS 3 HE2 HIS 3 -24.567 20.498 10.595 17 H MET 4 H MET 4 -21.752 16.172 6.643 18 HA MET 4 HA MET 4 -22.273 13.648 5.659 19 1HB MET 4 1HB MET 4 -22.794 14.994 3.552 20 2HB MET 4 2HB MET 4 -21.148 15.593 3.567 21 1HG MET 4 1HG MET 4 -20.292 13.631 2.738 22 2HG MET 4 2HG MET 4 -21.302 12.639 3.770 23 1HE MET 4 1HE MET 4 -22.439 14.409 -0.315 24 2HE MET 4 2HE MET 4 -22.382 15.474 1.110 25 3HE MET 4 3HE MET 4 -20.911 14.630 0.570 26 H GLU 5 H GLU 5 -20.783 13.132 7.333 27 HA GLU 5 HA GLU 5 -18.456 14.294 7.904 28 1HB GLU 5 1HB GLU 5 -19.718 11.852 8.509 29 2HB GLU 5 2HB GLU 5 -18.143 11.373 7.907 30 1HG GLU 5 1HG GLU 5 -17.508 11.763 10.086 31 2HG GLU 5 2HG GLU 5 -17.355 13.414 9.517 32 H GLU 6 H GLU 6 -16.348 14.404 7.102 33 HA GLU 6 HA GLU 6 -16.048 13.277 4.443 34 1HB GLU 6 1HB GLU 6 -15.709 15.828 5.134 35 2HB GLU 6 2HB GLU 6 -14.122 15.276 5.631 36 1HG GLU 6 1HG GLU 6 -14.066 14.128 3.238 37 2HG GLU 6 2HG GLU 6 -15.344 15.266 2.857 38 H ALA 7 H ALA 7 -14.876 11.423 4.249 39 HA ALA 7 HA ALA 7 -13.363 9.851 4.614 40 1HB ALA 7 1HB ALA 7 -11.174 10.488 5.214 41 2HB ALA 7 2HB ALA 7 -11.870 11.976 4.527 42 3HB ALA 7 3HB ALA 7 -11.747 11.783 6.293 43 H LYS 8 H LYS 8 -14.373 8.304 5.836 44 HA LYS 8 HA LYS 8 -14.972 8.818 8.591 45 1HB LYS 8 1HB LYS 8 -15.613 6.775 6.558 46 2HB LYS 8 2HB LYS 8 -15.455 6.150 8.187 47 1HG LYS 8 1HG LYS 8 -16.964 8.688 8.102 48 2HG LYS 8 2HG LYS 8 -17.709 7.439 7.125 49 1HD LYS 8 1HD LYS 8 -18.355 6.233 8.953 50 2HD LYS 8 2HD LYS 8 -16.788 6.392 9.722 51 1HE LYS 8 1HE LYS 8 -17.382 8.716 10.449 52 2HE LYS 8 2HE LYS 8 -18.949 8.555 9.682 53 1HZ LYS 8 1HZ LYS 8 -19.685 7.335 11.361 54 2HZ LYS 8 2HZ LYS 8 -18.342 6.411 11.453 55 3HZ LYS 8 3HZ LYS 8 -18.389 7.860 12.204 56 H GLY 9 H GLY 9 -13.107 6.135 6.996 57 1HA GLY 9 1HA GLY 9 -11.756 5.339 9.293 58 2HA GLY 9 2HA GLY 9 -11.251 5.047 7.641 59 HA PRO 10 HA PRO 10 -11.355 6.802 6.076 60 1HB PRO 10 1HB PRO 10 -9.499 7.376 4.154 61 2HB PRO 10 2HB PRO 10 -10.622 8.563 4.787 62 1HG PRO 10 1HG PRO 10 -7.735 8.262 5.344 63 2HG PRO 10 2HG PRO 10 -8.765 9.653 5.613 64 1HD PRO 10 1HD PRO 10 -7.821 7.808 7.596 65 2HD PRO 10 2HD PRO 10 -8.944 9.131 7.844 66 H VAL 11 H VAL 11 -11.718 4.938 4.950 67 HA VAL 11 HA VAL 11 -9.573 2.985 5.363 68 HB VAL 11 HB VAL 11 -12.555 2.860 5.165 69 1HG1 VAL 11 1HG1 VAL 11 -12.239 0.301 5.015 70 2HG1 VAL 11 2HG1 VAL 11 -12.098 1.254 3.518 71 3HG1 VAL 11 3HG1 VAL 11 -10.632 0.679 4.348 72 1HG2 VAL 11 1HG2 VAL 11 -12.294 1.396 7.124 73 2HG2 VAL 11 2HG2 VAL 11 -10.524 1.520 6.984 74 3HG2 VAL 11 3HG2 VAL 11 -11.489 2.964 7.371 75 H LYS 12 H LYS 12 -8.543 2.030 3.642 76 HA LYS 12 HA LYS 12 -9.651 2.597 0.989 77 1HB LYS 12 1HB LYS 12 -6.809 3.071 1.920 78 2HB LYS 12 2HB LYS 12 -7.256 2.954 0.230 79 1HG LYS 12 1HG LYS 12 -9.058 4.775 0.787 80 2HG LYS 12 2HG LYS 12 -8.151 5.030 2.264 81 1HD LYS 12 1HD LYS 12 -6.056 5.225 0.679 82 2HD LYS 12 2HD LYS 12 -7.233 5.447 -0.601 83 1HE LYS 12 1HE LYS 12 -7.364 7.111 1.943 84 2HE LYS 12 2HE LYS 12 -6.312 7.573 0.620 85 1HZ LYS 12 1HZ LYS 12 -8.911 8.183 0.807 86 2HZ LYS 12 2HZ LYS 12 -8.042 8.227 -0.575 87 3HZ LYS 12 3HZ LYS 12 -8.951 6.917 -0.224 88 H HIS 13 H HIS 13 -9.650 0.862 -0.393 89 HA HIS 13 HA HIS 13 -8.642 -1.607 0.760 90 1HB HIS 13 1HB HIS 13 -11.018 -1.387 -0.018 91 2HB HIS 13 2HB HIS 13 -10.424 -1.198 -1.656 92 HD1 HIS 13 HD1 HIS 13 -11.101 -3.758 0.967 93 HD2 HIS 13 HD2 HIS 13 -9.240 -3.571 -2.788 94 HE1 HIS 13 HE1 HIS 13 -10.808 -6.172 0.193 95 HE2 HIS 13 HE2 HIS 13 -9.710 -5.991 -2.143 96 H VAL 14 H VAL 14 -6.709 -2.421 0.139 97 HA VAL 14 HA VAL 14 -5.548 -1.343 -2.317 98 HB VAL 14 HB VAL 14 -4.361 -2.779 0.064 99 1HG1 VAL 14 1HG1 VAL 14 -3.357 -2.606 -2.596 100 2HG1 VAL 14 2HG1 VAL 14 -2.378 -1.522 -1.578 101 3HG1 VAL 14 3HG1 VAL 14 -2.546 -3.240 -1.143 102 1HG2 VAL 14 1HG2 VAL 14 -3.906 0.071 -0.864 103 2HG2 VAL 14 2HG2 VAL 14 -5.116 -0.384 0.359 104 3HG2 VAL 14 3HG2 VAL 14 -3.388 -0.681 0.663 105 H LEU 15 H LEU 15 -5.540 -2.549 -4.140 106 HA LEU 15 HA LEU 15 -5.558 -5.456 -3.819 107 1HB LEU 15 1HB LEU 15 -7.778 -3.913 -4.628 108 2HB LEU 15 2HB LEU 15 -7.152 -4.668 -6.080 109 HG LEU 15 HG LEU 15 -7.809 -6.199 -3.552 110 1HD1 LEU 15 1HD1 LEU 15 -9.971 -6.228 -4.063 111 2HD1 LEU 15 2HD1 LEU 15 -9.640 -4.944 -5.250 112 3HD1 LEU 15 3HD1 LEU 15 -9.632 -6.649 -5.759 113 1HD2 LEU 15 1HD2 LEU 15 -7.860 -8.135 -5.167 114 2HD2 LEU 15 2HD2 LEU 15 -7.126 -7.050 -6.372 115 3HD2 LEU 15 3HD2 LEU 15 -6.256 -7.423 -4.864 116 H LEU 16 H LEU 16 -3.812 -6.267 -4.834 117 HA LEU 16 HA LEU 16 -2.707 -4.672 -7.031 118 1HB LEU 16 1HB LEU 16 -0.611 -5.870 -6.565 119 2HB LEU 16 2HB LEU 16 -1.175 -4.884 -5.231 120 HG LEU 16 HG LEU 16 -2.149 -7.608 -4.974 121 1HD1 LEU 16 1HD1 LEU 16 -0.366 -8.619 -5.951 122 2HD1 LEU 16 2HD1 LEU 16 0.718 -7.233 -5.681 123 3HD1 LEU 16 3HD1 LEU 16 0.338 -8.339 -4.340 124 1HD2 LEU 16 1HD2 LEU 16 -0.465 -7.130 -2.862 125 2HD2 LEU 16 2HD2 LEU 16 -0.932 -5.485 -3.353 126 3HD2 LEU 16 3HD2 LEU 16 -2.185 -6.680 -2.939 127 H ALA 17 H ALA 17 -2.108 -5.703 -9.009 128 HA ALA 17 HA ALA 17 -2.846 -8.481 -9.330 129 1HB ALA 17 1HB ALA 17 -4.995 -7.440 -9.693 130 2HB ALA 17 2HB ALA 17 -4.274 -6.199 -10.746 131 3HB ALA 17 3HB ALA 17 -4.338 -7.894 -11.283 132 H SER 18 H SER 18 -1.740 -9.454 -11.069 133 HA SER 18 HA SER 18 -0.019 -7.619 -12.542 134 1HB SER 18 1HB SER 18 1.188 -10.252 -12.238 135 2HB SER 18 2HB SER 18 1.851 -8.680 -11.835 136 HG SER 18 HG SER 18 1.533 -10.252 -10.009 137 H PHE 19 H PHE 19 0.264 -8.104 -14.769 138 HA PHE 19 HA PHE 19 -1.616 -10.085 -15.772 139 1HB PHE 19 1HB PHE 19 0.109 -7.889 -17.068 140 2HB PHE 19 2HB PHE 19 -1.072 -8.844 -17.942 141 HD1 PHE 19 HD1 PHE 19 -0.533 -5.931 -15.949 142 HD2 PHE 19 HD2 PHE 19 -3.517 -8.667 -17.221 143 HE1 PHE 19 HE1 PHE 19 -2.313 -4.258 -15.370 144 HE2 PHE 19 HE2 PHE 19 -5.297 -6.994 -16.642 145 HZ PHE 19 HZ PHE 19 -4.673 -4.810 -15.723 146 H LYS 20 H LYS 20 -0.921 -12.083 -16.352 147 HA LYS 20 HA LYS 20 1.567 -13.045 -16.151 148 1HB LYS 20 1HB LYS 20 -0.611 -13.809 -18.110 149 2HB LYS 20 2HB LYS 20 0.850 -14.750 -17.889 150 1HG LYS 20 1HG LYS 20 -0.508 -14.015 -15.346 151 2HG LYS 20 2HG LYS 20 -1.467 -15.041 -16.393 152 1HD LYS 20 1HD LYS 20 1.427 -15.779 -15.972 153 2HD LYS 20 2HD LYS 20 0.312 -16.065 -14.651 154 1HE LYS 20 1HE LYS 20 -0.969 -16.985 -17.062 155 2HE LYS 20 2HE LYS 20 0.667 -17.613 -17.072 156 1HZ LYS 20 1HZ LYS 20 -1.443 -18.076 -15.129 157 2HZ LYS 20 2HZ LYS 20 -0.428 -19.147 -15.828 158 3HZ LYS 20 3HZ LYS 20 0.109 -18.173 -14.632 159 H ASP 21 H ASP 21 3.248 -13.656 -17.765 160 HA ASP 21 HA ASP 21 3.957 -11.354 -19.224 161 1HB ASP 21 1HB ASP 21 5.638 -12.806 -18.139 162 2HB ASP 21 2HB ASP 21 5.142 -14.167 -19.124 163 H GLY 22 H GLY 22 3.059 -10.903 -21.242 164 1HA GLY 22 1HA GLY 22 3.092 -11.601 -23.565 165 2HA GLY 22 2HA GLY 22 2.560 -13.190 -23.051 166 H VAL 23 H VAL 23 1.327 -10.188 -21.555 167 HA VAL 23 HA VAL 23 -1.302 -10.861 -22.653 168 HB VAL 23 HB VAL 23 -0.483 -9.186 -20.271 169 1HG1 VAL 23 1HG1 VAL 23 -3.278 -10.123 -20.523 170 2HG1 VAL 23 2HG1 VAL 23 -2.632 -8.564 -19.956 171 3HG1 VAL 23 3HG1 VAL 23 -2.785 -8.883 -21.700 172 1HG2 VAL 23 1HG2 VAL 23 -0.339 -11.874 -20.400 173 2HG2 VAL 23 2HG2 VAL 23 -0.787 -10.990 -18.921 174 3HG2 VAL 23 3HG2 VAL 23 -2.053 -11.693 -19.956 175 H SER 24 H SER 24 -2.487 -9.383 -23.865 176 HA SER 24 HA SER 24 -1.005 -7.492 -25.254 177 1HB SER 24 1HB SER 24 -4.040 -7.591 -25.000 178 2HB SER 24 2HB SER 24 -3.119 -6.903 -26.322 179 HG SER 24 HG SER 24 -4.008 -9.419 -26.100 180 HA PRO 25 HA PRO 25 -1.372 -4.078 -22.566 181 1HB PRO 25 1HB PRO 25 -0.585 -2.071 -24.247 182 2HB PRO 25 2HB PRO 25 0.544 -3.118 -23.411 183 1HG PRO 25 1HG PRO 25 -0.247 -3.144 -26.259 184 2HG PRO 25 2HG PRO 25 1.156 -3.872 -25.503 185 1HD PRO 25 1HD PRO 25 -1.220 -5.223 -26.371 186 2HD PRO 25 2HD PRO 25 0.132 -5.931 -25.511 187 H GLU 26 H GLU 26 -2.920 -3.907 -25.692 188 HA GLU 26 HA GLU 26 -4.494 -1.721 -25.156 189 1HB GLU 26 1HB GLU 26 -4.243 -3.694 -27.200 190 2HB GLU 26 2HB GLU 26 -5.938 -3.673 -26.755 191 1HG GLU 26 1HG GLU 26 -5.639 -1.028 -26.872 192 2HG GLU 26 2HG GLU 26 -4.241 -1.419 -27.853 193 H LYS 27 H LYS 27 -4.705 -5.066 -24.032 194 HA LYS 27 HA LYS 27 -7.445 -4.882 -23.248 195 1HB LYS 27 1HB LYS 27 -6.079 -6.980 -23.878 196 2HB LYS 27 2HB LYS 27 -5.432 -6.899 -22.252 197 1HG LYS 27 1HG LYS 27 -7.493 -7.376 -21.248 198 2HG LYS 27 2HG LYS 27 -8.421 -6.683 -22.563 199 1HD LYS 27 1HD LYS 27 -7.566 -8.644 -24.019 200 2HD LYS 27 2HD LYS 27 -6.976 -9.367 -22.536 201 1HE LYS 27 1HE LYS 27 -9.180 -9.591 -21.624 202 2HE LYS 27 2HE LYS 27 -9.865 -8.446 -22.760 203 1HZ LYS 27 1HZ LYS 27 -9.966 -9.996 -24.357 204 2HZ LYS 27 2HZ LYS 27 -8.599 -10.767 -23.907 205 3HZ LYS 27 3HZ LYS 27 -9.993 -11.037 -23.099 206 H ILE 28 H ILE 28 -4.245 -4.269 -21.789 207 HA ILE 28 HA ILE 28 -5.099 -4.155 -19.132 208 HB ILE 28 HB ILE 28 -2.804 -2.819 -20.565 209 1HG1 ILE 28 1HG1 ILE 28 -2.590 -5.199 -18.745 210 2HG1 ILE 28 2HG1 ILE 28 -3.105 -5.426 -20.405 211 1HG2 ILE 28 1HG2 ILE 28 -3.798 -2.343 -17.931 212 2HG2 ILE 28 2HG2 ILE 28 -2.250 -3.214 -17.805 213 3HG2 ILE 28 3HG2 ILE 28 -2.341 -1.688 -18.717 214 1HD1 ILE 28 1HD1 ILE 28 -0.432 -4.822 -19.356 215 2HD1 ILE 28 2HD1 ILE 28 -0.904 -5.430 -20.961 216 3HD1 ILE 28 3HD1 ILE 28 -0.914 -3.680 -20.634 217 H GLU 29 H GLU 29 -4.808 -1.609 -21.690 218 HA GLU 29 HA GLU 29 -5.721 0.415 -19.979 219 1HB GLU 29 1HB GLU 29 -5.928 1.745 -22.084 220 2HB GLU 29 2HB GLU 29 -4.377 0.942 -21.946 221 1HG GLU 29 1HG GLU 29 -5.112 -0.855 -23.462 222 2HG GLU 29 2HG GLU 29 -6.739 -0.206 -23.505 223 H GLU 30 H GLU 30 -7.291 -1.841 -22.285 224 HA GLU 30 HA GLU 30 -9.744 -0.580 -22.380 225 1HB GLU 30 1HB GLU 30 -8.690 -3.320 -22.947 226 2HB GLU 30 2HB GLU 30 -10.423 -3.205 -22.710 227 1HG GLU 30 1HG GLU 30 -9.747 -0.995 -24.370 228 2HG GLU 30 2HG GLU 30 -8.815 -2.341 -24.995 229 H LEU 31 H LEU 31 -8.354 -2.953 -20.061 230 HA LEU 31 HA LEU 31 -10.795 -3.309 -18.653 231 1HB LEU 31 1HB LEU 31 -7.981 -4.177 -18.428 232 2HB LEU 31 2HB LEU 31 -8.861 -4.078 -16.915 233 HG LEU 31 HG LEU 31 -10.597 -5.418 -18.675 234 1HD1 LEU 31 1HD1 LEU 31 -7.736 -6.330 -19.027 235 2HD1 LEU 31 2HD1 LEU 31 -9.144 -7.369 -19.352 236 3HD1 LEU 31 3HD1 LEU 31 -8.912 -5.869 -20.281 237 1HD2 LEU 31 1HD2 LEU 31 -9.903 -7.416 -17.196 238 2HD2 LEU 31 2HD2 LEU 31 -8.870 -6.239 -16.349 239 3HD2 LEU 31 3HD2 LEU 31 -10.632 -5.990 -16.419 240 H ILE 32 H ILE 32 -7.786 -1.366 -18.104 241 HA ILE 32 HA ILE 32 -8.643 -0.246 -15.696 242 HB ILE 32 HB ILE 32 -6.659 0.613 -17.792 243 1HG1 ILE 32 1HG1 ILE 32 -6.167 -0.424 -14.994 244 2HG1 ILE 32 2HG1 ILE 32 -6.323 -1.488 -16.377 245 1HG2 ILE 32 1HG2 ILE 32 -7.539 2.026 -15.303 246 2HG2 ILE 32 2HG2 ILE 32 -5.823 2.074 -15.773 247 3HG2 ILE 32 3HG2 ILE 32 -7.069 2.683 -16.889 248 1HD1 ILE 32 1HD1 ILE 32 -3.958 -1.013 -16.041 249 2HD1 ILE 32 2HD1 ILE 32 -4.481 -0.185 -17.528 250 3HD1 ILE 32 3HD1 ILE 32 -4.269 0.740 -16.021 251 H LYS 33 H LYS 33 -9.330 0.523 -19.103 252 HA LYS 33 HA LYS 33 -10.368 3.098 -18.613 253 1HB LYS 33 1HB LYS 33 -10.314 1.155 -20.869 254 2HB LYS 33 2HB LYS 33 -11.578 2.368 -20.908 255 1HG LYS 33 1HG LYS 33 -8.674 3.114 -20.376 256 2HG LYS 33 2HG LYS 33 -9.296 2.966 -22.007 257 1HD LYS 33 1HD LYS 33 -10.571 4.757 -19.889 258 2HD LYS 33 2HD LYS 33 -9.364 5.326 -21.024 259 1HE LYS 33 1HE LYS 33 -10.882 5.472 -22.719 260 2HE LYS 33 2HE LYS 33 -11.498 3.861 -22.411 261 1HZ LYS 33 1HZ LYS 33 -12.577 6.333 -21.628 262 2HZ LYS 33 2HZ LYS 33 -13.261 4.851 -21.575 263 3HZ LYS 33 3HZ LYS 33 -12.362 5.381 -20.319 264 H GLY 34 H GLY 34 -11.809 -0.206 -18.763 265 1HA GLY 34 1HA GLY 34 -14.486 0.700 -18.399 266 2HA GLY 34 2HA GLY 34 -13.883 -0.939 -18.254 267 H TYR 35 H TYR 35 -11.800 -0.331 -16.240 268 HA TYR 35 HA TYR 35 -13.272 -0.755 -13.932 269 1HB TYR 35 1HB TYR 35 -10.659 -0.871 -14.766 270 2HB TYR 35 2HB TYR 35 -10.584 0.673 -13.940 271 HD1 TYR 35 HD1 TYR 35 -9.597 -2.471 -13.461 272 HD2 TYR 35 HD2 TYR 35 -12.215 0.332 -11.566 273 HE1 TYR 35 HE1 TYR 35 -9.283 -3.668 -11.240 274 HE2 TYR 35 HE2 TYR 35 -11.892 -0.874 -9.351 275 HH TYR 35 HH TYR 35 -11.141 -2.711 -8.398 276 H ALA 36 H ALA 36 -11.656 2.277 -15.115 277 HA ALA 36 HA ALA 36 -12.357 3.865 -12.960 278 1HB ALA 36 1HB ALA 36 -10.742 4.719 -14.434 279 2HB ALA 36 2HB ALA 36 -11.726 4.363 -15.874 280 3HB ALA 36 3HB ALA 36 -12.174 5.710 -14.800 281 H ASN 37 H ASN 37 -14.196 2.852 -15.861 282 HA ASN 37 HA ASN 37 -16.279 4.691 -15.400 283 1HB ASN 37 1HB ASN 37 -15.603 2.585 -17.328 284 2HB ASN 37 2HB ASN 37 -17.293 2.467 -16.879 285 1HD2 ASN 37 1HD2 ASN 37 -18.695 3.718 -17.859 286 2HD2 ASN 37 2HD2 ASN 37 -18.357 5.144 -18.782 287 H LEU 38 H LEU 38 -15.576 1.237 -14.631 288 HA LEU 38 HA LEU 38 -18.126 0.590 -13.657 289 1HB LEU 38 1HB LEU 38 -15.567 -0.642 -13.979 290 2HB LEU 38 2HB LEU 38 -16.126 -0.945 -12.346 291 HG LEU 38 HG LEU 38 -18.264 -1.387 -14.262 292 1HD1 LEU 38 1HD1 LEU 38 -16.200 -3.477 -14.638 293 2HD1 LEU 38 2HD1 LEU 38 -17.419 -2.838 -15.767 294 3HD1 LEU 38 3HD1 LEU 38 -15.915 -1.932 -15.473 295 1HD2 LEU 38 1HD2 LEU 38 -17.747 -2.219 -11.788 296 2HD2 LEU 38 2HD2 LEU 38 -18.748 -3.159 -12.921 297 3HD2 LEU 38 3HD2 LEU 38 -17.039 -3.591 -12.674 298 H VAL 39 H VAL 39 -15.379 2.361 -12.315 299 HA VAL 39 HA VAL 39 -15.964 2.050 -9.608 300 HB VAL 39 HB VAL 39 -14.625 4.229 -11.210 301 1HG1 VAL 39 1HG1 VAL 39 -13.903 5.304 -9.235 302 2HG1 VAL 39 2HG1 VAL 39 -15.646 5.028 -9.001 303 3HG1 VAL 39 3HG1 VAL 39 -14.461 3.967 -8.201 304 1HG2 VAL 39 1HG2 VAL 39 -13.807 1.664 -10.057 305 2HG2 VAL 39 2HG2 VAL 39 -13.008 2.678 -11.282 306 3HG2 VAL 39 3HG2 VAL 39 -12.765 3.015 -9.552 307 H ASN 40 H ASN 40 -17.154 4.386 -12.089 308 HA ASN 40 HA ASN 40 -18.812 5.624 -10.103 309 1HB ASN 40 1HB ASN 40 -19.600 6.970 -12.181 310 2HB ASN 40 2HB ASN 40 -17.920 7.161 -11.719 311 1HD2 ASN 40 1HD2 ASN 40 -20.129 5.435 -13.858 312 2HD2 ASN 40 2HD2 ASN 40 -19.015 5.128 -15.149 313 H LEU 41 H LEU 41 -18.890 2.851 -12.054 314 HA LEU 41 HA LEU 41 -21.630 3.005 -12.885 315 1HB LEU 41 1HB LEU 41 -19.659 1.796 -14.012 316 2HB LEU 41 2HB LEU 41 -19.907 0.541 -12.814 317 HG LEU 41 HG LEU 41 -22.272 1.436 -14.411 318 1HD1 LEU 41 1HD1 LEU 41 -21.209 -0.672 -15.891 319 2HD1 LEU 41 2HD1 LEU 41 -21.310 1.038 -16.375 320 3HD1 LEU 41 3HD1 LEU 41 -19.830 0.416 -15.607 321 1HD2 LEU 41 1HD2 LEU 41 -22.072 -1.370 -14.230 322 2HD2 LEU 41 2HD2 LEU 41 -21.577 -0.728 -12.645 323 3HD2 LEU 41 3HD2 LEU 41 -23.159 -0.285 -13.330 324 H ILE 42 H ILE 42 -19.736 1.661 -10.168 325 HA ILE 42 HA ILE 42 -21.891 0.125 -9.144 326 HB ILE 42 HB ILE 42 -19.439 1.136 -7.705 327 1HG1 ILE 42 1HG1 ILE 42 -19.281 -1.585 -8.730 328 2HG1 ILE 42 2HG1 ILE 42 -19.477 -0.425 -10.029 329 1HG2 ILE 42 1HG2 ILE 42 -19.885 -0.346 -6.051 330 2HG2 ILE 42 2HG2 ILE 42 -21.557 -0.079 -6.599 331 3HG2 ILE 42 3HG2 ILE 42 -20.660 -1.515 -7.146 332 1HD1 ILE 42 1HD1 ILE 42 -17.616 0.958 -8.843 333 2HD1 ILE 42 2HD1 ILE 42 -17.294 -0.529 -7.919 334 3HD1 ILE 42 3HD1 ILE 42 -17.126 -0.529 -9.691 335 H GLU 43 H GLU 43 -20.280 2.644 -7.174 336 HA GLU 43 HA GLU 43 -22.034 4.628 -7.187 337 1HB GLU 43 1HB GLU 43 -23.367 2.280 -6.130 338 2HB GLU 43 2HB GLU 43 -23.248 3.484 -4.862 339 1HG GLU 43 1HG GLU 43 -24.007 5.093 -6.941 340 2HG GLU 43 2HG GLU 43 -24.754 3.592 -7.450 341 HA PRO 44 HA PRO 44 -19.949 4.386 -2.950 342 1HB PRO 44 1HB PRO 44 -19.022 2.010 -1.970 343 2HB PRO 44 2HB PRO 44 -20.602 2.658 -1.576 344 1HG PRO 44 1HG PRO 44 -19.912 0.440 -3.405 345 2HG PRO 44 2HG PRO 44 -21.460 0.822 -2.678 346 1HD PRO 44 1HD PRO 44 -20.665 1.327 -5.388 347 2HD PRO 44 2HD PRO 44 -22.168 1.812 -4.629 348 H MET 45 H MET 45 -18.669 5.382 -4.803 349 HA MET 45 HA MET 45 -15.984 4.658 -4.249 350 1HB MET 45 1HB MET 45 -17.359 3.620 -6.643 351 2HB MET 45 2HB MET 45 -15.997 4.623 -7.101 352 1HG MET 45 1HG MET 45 -14.483 3.060 -6.408 353 2HG MET 45 2HG MET 45 -15.297 2.834 -4.873 354 1HE MET 45 1HE MET 45 -13.988 0.362 -6.930 355 2HE MET 45 2HE MET 45 -15.133 0.009 -8.246 356 3HE MET 45 3HE MET 45 -14.381 1.618 -8.129 357 H LYS 46 H LYS 46 -16.103 6.901 -3.498 358 HA LYS 46 HA LYS 46 -16.945 9.054 -4.920 359 1HB LYS 46 1HB LYS 46 -15.545 8.591 -2.559 360 2HB LYS 46 2HB LYS 46 -14.444 9.579 -3.499 361 1HG LYS 46 1HG LYS 46 -15.675 11.385 -2.889 362 2HG LYS 46 2HG LYS 46 -16.951 10.787 -3.931 363 1HD LYS 46 1HD LYS 46 -18.267 10.359 -2.136 364 2HD LYS 46 2HD LYS 46 -17.053 9.287 -1.466 365 1HE LYS 46 1HE LYS 46 -16.947 10.830 0.226 366 2HE LYS 46 2HE LYS 46 -15.917 11.719 -0.878 367 1HZ LYS 46 1HZ LYS 46 -18.643 12.230 -0.129 368 2HZ LYS 46 2HZ LYS 46 -17.461 13.278 -0.545 369 3HZ LYS 46 3HZ LYS 46 -18.298 12.488 -1.704 370 H ALA 47 H ALA 47 -13.510 7.852 -4.873 371 HA ALA 47 HA ALA 47 -13.348 8.518 -7.703 372 1HB ALA 47 1HB ALA 47 -11.105 9.661 -7.172 373 2HB ALA 47 2HB ALA 47 -12.583 10.570 -6.779 374 3HB ALA 47 3HB ALA 47 -11.676 9.745 -5.488 375 H PHE 48 H PHE 48 -11.435 7.498 -8.734 376 HA PHE 48 HA PHE 48 -10.712 5.081 -7.249 377 1HB PHE 48 1HB PHE 48 -11.948 5.065 -9.533 378 2HB PHE 48 2HB PHE 48 -10.516 5.789 -10.236 379 HD1 PHE 48 HD1 PHE 48 -9.328 4.278 -11.492 380 HD2 PHE 48 HD2 PHE 48 -11.105 2.944 -7.877 381 HE1 PHE 48 HE1 PHE 48 -8.352 1.994 -11.855 382 HE2 PHE 48 HE2 PHE 48 -10.129 0.660 -8.240 383 HZ PHE 48 HZ PHE 48 -8.764 0.213 -10.224 384 H HIS 49 H HIS 49 -8.732 5.161 -6.299 385 HA HIS 49 HA HIS 49 -6.678 6.712 -7.694 386 1HB HIS 49 1HB HIS 49 -7.487 6.512 -4.904 387 2HB HIS 49 2HB HIS 49 -5.782 6.155 -5.099 388 HD1 HIS 49 HD1 HIS 49 -7.796 8.909 -4.317 389 HD2 HIS 49 HD2 HIS 49 -4.668 8.362 -7.058 390 HE1 HIS 49 HE1 HIS 49 -6.890 11.236 -4.841 391 HE2 HIS 49 HE2 HIS 49 -4.935 10.831 -6.488 392 H TRP 50 H TRP 50 -4.785 5.718 -8.345 393 HA TRP 50 HA TRP 50 -4.264 3.022 -7.385 394 1HB TRP 50 1HB TRP 50 -4.250 1.980 -9.464 395 2HB TRP 50 2HB TRP 50 -5.751 2.883 -9.426 396 HD1 TRP 50 HD1 TRP 50 -5.475 5.468 -10.759 397 HE1 TRP 50 HE1 TRP 50 -4.361 6.027 -13.085 398 HE3 TRP 50 HE3 TRP 50 -2.589 1.287 -10.975 399 HZ2 TRP 50 HZ2 TRP 50 -2.441 4.687 -14.717 400 HZ3 TRP 50 HZ3 TRP 50 -1.124 0.989 -12.969 401 HH2 TRP 50 HH2 TRP 50 -1.020 2.605 -14.799 402 H GLY 51 H GLY 51 -2.004 2.335 -8.186 403 1HA GLY 51 1HA GLY 51 -0.290 4.505 -9.071 404 2HA GLY 51 2HA GLY 51 -0.039 3.977 -7.419 405 H LYS 52 H LYS 52 1.403 3.675 -10.245 406 HA LYS 52 HA LYS 52 1.790 0.772 -10.041 407 1HB LYS 52 1HB LYS 52 2.415 0.776 -12.347 408 2HB LYS 52 2HB LYS 52 0.894 1.633 -12.203 409 1HG LYS 52 1HG LYS 52 2.406 3.790 -12.002 410 2HG LYS 52 2HG LYS 52 3.663 2.778 -12.684 411 1HD LYS 52 1HD LYS 52 0.932 3.310 -13.946 412 2HD LYS 52 2HD LYS 52 2.447 4.026 -14.458 413 1HE LYS 52 1HE LYS 52 2.033 1.006 -14.386 414 2HE LYS 52 2HE LYS 52 1.618 1.967 -15.791 415 1HZ LYS 52 1HZ LYS 52 4.256 1.550 -14.611 416 2HZ LYS 52 2HZ LYS 52 3.779 1.317 -16.156 417 3HZ LYS 52 3HZ LYS 52 3.978 2.834 -15.582 418 H ASP 53 H ASP 53 3.880 -0.067 -9.799 419 HA ASP 53 HA ASP 53 5.597 1.219 -8.237 420 1HB ASP 53 1HB ASP 53 7.401 -0.302 -9.286 421 2HB ASP 53 2HB ASP 53 5.978 -1.095 -8.638 422 H VAL 54 H VAL 54 7.217 2.815 -8.481 423 HA VAL 54 HA VAL 54 7.362 4.092 -11.070 424 HB VAL 54 HB VAL 54 8.776 5.723 -9.751 425 1HG1 VAL 54 1HG1 VAL 54 6.208 5.587 -8.284 426 2HG1 VAL 54 2HG1 VAL 54 6.902 6.894 -9.272 427 3HG1 VAL 54 3HG1 VAL 54 6.078 5.526 -10.058 428 1HG2 VAL 54 1HG2 VAL 54 9.088 5.544 -7.474 429 2HG2 VAL 54 2HG2 VAL 54 7.687 4.469 -7.252 430 3HG2 VAL 54 3HG2 VAL 54 9.194 3.833 -7.955 431 H SER 55 H SER 55 9.656 4.860 -11.777 432 HA SER 55 HA SER 55 11.105 2.571 -12.347 433 1HB SER 55 1HB SER 55 11.227 5.428 -12.945 434 2HB SER 55 2HB SER 55 12.839 4.792 -12.687 435 HG SER 55 HG SER 55 12.646 4.171 -14.738 436 H ILE 56 H ILE 56 11.487 1.593 -10.208 437 HA ILE 56 HA ILE 56 13.529 3.012 -8.652 438 HB ILE 56 HB ILE 56 11.346 2.455 -7.565 439 1HG1 ILE 56 1HG1 ILE 56 12.653 1.168 -5.607 440 2HG1 ILE 56 2HG1 ILE 56 14.040 1.657 -6.561 441 1HG2 ILE 56 1HG2 ILE 56 12.265 -0.329 -8.216 442 2HG2 ILE 56 2HG2 ILE 56 11.284 -0.022 -6.763 443 3HG2 ILE 56 3HG2 ILE 56 10.650 0.404 -8.371 444 1HD1 ILE 56 1HD1 ILE 56 12.620 3.255 -4.729 445 2HD1 ILE 56 2HD1 ILE 56 13.840 3.817 -5.897 446 3HD1 ILE 56 3HD1 ILE 56 12.113 3.853 -6.327 447 H GLU 57 H GLU 57 13.461 1.057 -11.201 448 HA GLU 57 HA GLU 57 14.966 -0.258 -12.074 449 1HB GLU 57 1HB GLU 57 16.446 0.926 -10.024 450 2HB GLU 57 2HB GLU 57 16.687 -0.785 -9.732 451 1HG GLU 57 1HG GLU 57 16.992 -0.689 -12.473 452 2HG GLU 57 2HG GLU 57 17.596 0.894 -12.025 453 H ASN 58 H ASN 58 15.736 -2.615 -11.982 454 HA ASN 58 HA ASN 58 13.778 -4.288 -11.447 455 1HB ASN 58 1HB ASN 58 15.518 -6.103 -11.243 456 2HB ASN 58 2HB ASN 58 15.858 -4.998 -12.560 457 1HD2 ASN 58 1HD2 ASN 58 16.972 -6.418 -9.708 458 2HD2 ASN 58 2HD2 ASN 58 18.439 -5.524 -9.482 459 H LEU 59 H LEU 59 12.582 -4.215 -9.501 460 HA LEU 59 HA LEU 59 13.735 -5.353 -7.193 461 1HB LEU 59 1HB LEU 59 14.335 -2.694 -7.406 462 2HB LEU 59 2HB LEU 59 12.853 -2.643 -6.472 463 HG LEU 59 HG LEU 59 14.580 -2.678 -4.888 464 1HD1 LEU 59 1HD1 LEU 59 12.721 -4.720 -4.966 465 2HD1 LEU 59 2HD1 LEU 59 14.251 -5.571 -4.647 466 3HD1 LEU 59 3HD1 LEU 59 13.723 -4.258 -3.569 467 1HD2 LEU 59 1HD2 LEU 59 15.856 -4.893 -6.510 468 2HD2 LEU 59 2HD2 LEU 59 16.461 -3.238 -6.257 469 3HD2 LEU 59 3HD2 LEU 59 16.408 -4.384 -4.896 470 H HIS 60 H HIS 60 11.694 -6.268 -8.685 471 HA HIS 60 HA HIS 60 9.472 -5.886 -6.879 472 1HB HIS 60 1HB HIS 60 7.853 -5.430 -8.595 473 2HB HIS 60 2HB HIS 60 9.106 -4.205 -8.645 474 HD1 HIS 60 HD1 HIS 60 7.589 -6.980 -10.649 475 HD2 HIS 60 HD2 HIS 60 10.795 -4.292 -10.952 476 HE1 HIS 60 HE1 HIS 60 8.375 -7.075 -13.075 477 HE2 HIS 60 HE2 HIS 60 10.310 -5.363 -13.212 478 H GLN 61 H GLN 61 7.962 -7.688 -6.928 479 HA GLN 61 HA GLN 61 9.274 -10.042 -7.982 480 1HB GLN 61 1HB GLN 61 7.435 -9.453 -5.713 481 2HB GLN 61 2HB GLN 61 7.151 -10.987 -6.512 482 1HG GLN 61 1HG GLN 61 8.796 -11.148 -4.610 483 2HG GLN 61 2HG GLN 61 9.451 -11.702 -6.138 484 1HE2 GLN 61 1HE2 GLN 61 9.930 -9.765 -3.483 485 2HE2 GLN 61 2HE2 GLN 61 11.202 -8.739 -4.057 486 H GLY 62 H GLY 62 6.970 -7.806 -8.956 487 1HA GLY 62 1HA GLY 62 6.023 -8.240 -11.152 488 2HA GLY 62 2HA GLY 62 5.565 -9.835 -10.589 489 H TYR 63 H TYR 63 5.290 -6.510 -9.134 490 HA TYR 63 HA TYR 63 2.619 -7.142 -8.251 491 1HB TYR 63 1HB TYR 63 4.836 -5.205 -7.829 492 2HB TYR 63 2HB TYR 63 3.292 -4.380 -7.907 493 HD1 TYR 63 HD1 TYR 63 5.475 -6.455 -5.899 494 HD2 TYR 63 HD2 TYR 63 1.462 -5.020 -6.281 495 HE1 TYR 63 HE1 TYR 63 5.020 -7.057 -3.471 496 HE2 TYR 63 HE2 TYR 63 1.021 -5.628 -3.852 497 HH TYR 63 HH TYR 63 1.934 -6.234 -1.957 498 H THR 64 H THR 64 4.242 -5.027 -10.674 499 HA THR 64 HA THR 64 3.431 -4.090 -12.531 500 HB THR 64 HB THR 64 0.656 -5.185 -11.941 501 HG1 THR 64 HG1 THR 64 3.141 -6.479 -12.814 502 1HG2 THR 64 1HG2 THR 64 2.380 -5.078 -14.472 503 2HG2 THR 64 2HG2 THR 64 0.691 -5.632 -14.375 504 3HG2 THR 64 3HG2 THR 64 1.084 -3.920 -14.087 505 H HIS 65 H HIS 65 0.909 -3.948 -9.926 506 HA HIS 65 HA HIS 65 1.337 -1.336 -9.284 507 1HB HIS 65 1HB HIS 65 -0.725 -0.315 -10.472 508 2HB HIS 65 2HB HIS 65 0.799 -0.422 -11.330 509 HD1 HIS 65 HD1 HIS 65 0.809 -1.679 -13.525 510 HD2 HIS 65 HD2 HIS 65 -2.644 -2.406 -11.256 511 HE1 HIS 65 HE1 HIS 65 -0.760 -3.024 -15.022 512 HE2 HIS 65 HE2 HIS 65 -2.841 -3.487 -13.555 513 H ILE 66 H ILE 66 -0.825 -0.352 -8.238 514 HA ILE 66 HA ILE 66 -2.530 -2.530 -7.319 515 HB ILE 66 HB ILE 66 -2.197 -2.072 -5.026 516 1HG1 ILE 66 1HG1 ILE 66 -0.070 -0.298 -4.766 517 2HG1 ILE 66 2HG1 ILE 66 -1.070 0.445 -5.998 518 1HG2 ILE 66 1HG2 ILE 66 0.641 -2.068 -5.988 519 2HG2 ILE 66 2HG2 ILE 66 -0.134 -3.041 -4.715 520 3HG2 ILE 66 3HG2 ILE 66 -0.437 -3.413 -6.429 521 1HD1 ILE 66 1HD1 ILE 66 -2.276 1.249 -4.233 522 2HD1 ILE 66 2HD1 ILE 66 -2.988 -0.381 -4.187 523 3HD1 ILE 66 3HD1 ILE 66 -1.627 0.026 -3.115 524 H PHE 67 H PHE 67 -4.646 -1.922 -7.220 525 HA PHE 67 HA PHE 67 -5.158 0.915 -7.700 526 1HB PHE 67 1HB PHE 67 -6.908 -1.609 -7.909 527 2HB PHE 67 2HB PHE 67 -7.386 -0.015 -8.459 528 HD1 PHE 67 HD1 PHE 67 -5.791 -3.069 -9.353 529 HD2 PHE 67 HD2 PHE 67 -5.980 1.058 -10.326 530 HE1 PHE 67 HE1 PHE 67 -4.817 -3.557 -11.614 531 HE2 PHE 67 HE2 PHE 67 -5.006 0.569 -12.587 532 HZ PHE 67 HZ PHE 67 -4.436 -1.732 -13.204 533 H GLU 68 H GLU 68 -5.982 2.173 -6.098 534 HA GLU 68 HA GLU 68 -7.066 0.751 -3.800 535 1HB GLU 68 1HB GLU 68 -5.854 3.539 -4.034 536 2HB GLU 68 2HB GLU 68 -6.587 2.916 -2.569 537 1HG GLU 68 1HG GLU 68 -4.951 1.057 -2.498 538 2HG GLU 68 2HG GLU 68 -4.257 1.575 -4.022 539 H SER 69 H SER 69 -9.145 1.227 -3.018 540 HA SER 69 HA SER 69 -10.640 3.054 -4.729 541 1HB SER 69 1HB SER 69 -11.372 0.697 -4.904 542 2HB SER 69 2HB SER 69 -11.597 0.614 -3.168 543 HG SER 69 HG SER 69 -13.589 1.016 -4.418 544 H THR 70 H THR 70 -11.718 4.776 -3.757 545 HA THR 70 HA THR 70 -11.168 5.228 -0.965 546 HB THR 70 HB THR 70 -12.389 7.421 -1.573 547 HG1 THR 70 HG1 THR 70 -13.529 6.174 -3.369 548 1HG2 THR 70 1HG2 THR 70 -10.073 6.472 -3.338 549 2HG2 THR 70 2HG2 THR 70 -10.646 8.156 -3.275 550 3HG2 THR 70 3HG2 THR 70 -9.942 7.400 -1.825 551 H PHE 71 H PHE 71 -12.418 4.757 0.729 552 HA PHE 71 HA PHE 71 -15.268 4.351 0.183 553 1HB PHE 71 1HB PHE 71 -13.226 2.683 1.755 554 2HB PHE 71 2HB PHE 71 -14.946 2.505 2.041 555 HD1 PHE 71 HD1 PHE 71 -16.123 2.566 -0.601 556 HD2 PHE 71 HD2 PHE 71 -12.480 0.794 0.662 557 HE1 PHE 71 HE1 PHE 71 -16.267 0.923 -2.493 558 HE2 PHE 71 HE2 PHE 71 -12.624 -0.850 -1.229 559 HZ PHE 71 HZ PHE 71 -14.516 -0.766 -2.784 560 H GLU 72 H GLU 72 -16.470 4.166 2.458 561 HA GLU 72 HA GLU 72 -15.221 5.642 4.533 562 1HB GLU 72 1HB GLU 72 -17.027 7.466 4.509 563 2HB GLU 72 2HB GLU 72 -15.776 7.596 3.288 564 1HG GLU 72 1HG GLU 72 -17.335 6.359 1.680 565 2HG GLU 72 2HG GLU 72 -18.590 6.479 2.897 566 H SER 73 H SER 73 -16.391 3.009 4.196 567 HA SER 73 HA SER 73 -17.924 2.905 6.469 568 1HB SER 73 1HB SER 73 -19.800 3.886 5.386 569 2HB SER 73 2HB SER 73 -19.515 3.014 3.892 570 HG SER 73 HG SER 73 -21.320 2.224 5.321 571 H LYS 74 H LYS 74 -17.229 0.923 7.175 572 HA LYS 74 HA LYS 74 -16.058 -0.970 5.556 573 1HB LYS 74 1HB LYS 74 -16.174 -2.436 7.491 574 2HB LYS 74 2HB LYS 74 -15.730 -0.813 7.978 575 1HG LYS 74 1HG LYS 74 -18.185 -0.384 8.525 576 2HG LYS 74 2HG LYS 74 -18.501 -2.077 8.200 577 1HD LYS 74 1HD LYS 74 -16.446 -1.121 10.246 578 2HD LYS 74 2HD LYS 74 -18.107 -1.496 10.658 579 1HE LYS 74 1HE LYS 74 -17.132 -3.712 9.121 580 2HE LYS 74 2HE LYS 74 -15.875 -3.319 10.277 581 1HZ LYS 74 1HZ LYS 74 -17.657 -4.853 11.057 582 2HZ LYS 74 2HZ LYS 74 -17.368 -3.579 12.036 583 3HZ LYS 74 3HZ LYS 74 -18.684 -3.584 11.070 584 H GLU 75 H GLU 75 -19.484 -0.536 6.527 585 HA GLU 75 HA GLU 75 -20.350 -2.996 5.574 586 1HB GLU 75 1HB GLU 75 -21.794 -0.342 5.958 587 2HB GLU 75 2HB GLU 75 -22.625 -1.820 5.514 588 1HG GLU 75 1HG GLU 75 -21.370 -2.850 7.608 589 2HG GLU 75 2HG GLU 75 -21.161 -1.178 8.091 590 H ALA 76 H ALA 76 -19.852 0.195 4.015 591 HA ALA 76 HA ALA 76 -21.172 -0.449 1.609 592 1HB ALA 76 1HB ALA 76 -19.920 1.543 0.762 593 2HB ALA 76 2HB ALA 76 -20.754 1.851 2.304 594 3HB ALA 76 3HB ALA 76 -18.996 1.572 2.284 595 H VAL 77 H VAL 77 -17.842 -0.902 2.860 596 HA VAL 77 HA VAL 77 -16.736 -1.649 0.371 597 HB VAL 77 HB VAL 77 -15.819 -2.378 3.157 598 1HG1 VAL 77 1HG1 VAL 77 -13.916 -3.125 2.234 599 2HG1 VAL 77 2HG1 VAL 77 -14.807 -3.140 0.694 600 3HG1 VAL 77 3HG1 VAL 77 -13.805 -1.735 1.128 601 1HG2 VAL 77 1HG2 VAL 77 -16.105 0.224 1.943 602 2HG2 VAL 77 2HG2 VAL 77 -15.524 -0.206 3.569 603 3HG2 VAL 77 3HG2 VAL 77 -14.382 -0.137 2.206 604 H ALA 78 H ALA 78 -18.594 -3.315 2.898 605 HA ALA 78 HA ALA 78 -17.892 -5.936 2.126 606 1HB ALA 78 1HB ALA 78 -19.211 -4.775 4.222 607 2HB ALA 78 2HB ALA 78 -20.575 -5.454 3.301 608 3HB ALA 78 3HB ALA 78 -19.257 -6.515 3.853 609 H GLU 79 H GLU 79 -20.627 -3.716 1.286 610 HA GLU 79 HA GLU 79 -21.886 -5.587 -0.358 611 1HB GLU 79 1HB GLU 79 -22.046 -2.565 -0.110 612 2HB GLU 79 2HB GLU 79 -22.997 -3.426 -1.304 613 1HG GLU 79 1HG GLU 79 -23.027 -4.183 1.649 614 2HG GLU 79 2HG GLU 79 -24.123 -2.990 0.980 615 H TYR 80 H TYR 80 -19.287 -3.199 -0.863 616 HA TYR 80 HA TYR 80 -19.364 -3.101 -3.651 617 1HB TYR 80 1HB TYR 80 -17.989 -1.509 -2.505 618 2HB TYR 80 2HB TYR 80 -17.412 -2.701 -1.357 619 HD1 TYR 80 HD1 TYR 80 -17.260 -2.198 -5.083 620 HD2 TYR 80 HD2 TYR 80 -15.154 -3.179 -1.491 621 HE1 TYR 80 HE1 TYR 80 -15.101 -2.435 -6.405 622 HE2 TYR 80 HE2 TYR 80 -13.002 -3.412 -2.825 623 HH TYR 80 HH TYR 80 -12.910 -3.796 -6.042 624 H ILE 81 H ILE 81 -17.581 -5.282 -1.375 625 HA ILE 81 HA ILE 81 -16.291 -6.672 -3.488 626 HB ILE 81 HB ILE 81 -16.697 -7.389 -0.582 627 1HG1 ILE 81 1HG1 ILE 81 -14.175 -6.261 -1.776 628 2HG1 ILE 81 2HG1 ILE 81 -15.470 -5.189 -1.280 629 1HG2 ILE 81 1HG2 ILE 81 -15.638 -8.918 -2.761 630 2HG2 ILE 81 2HG2 ILE 81 -14.318 -8.509 -1.638 631 3HG2 ILE 81 3HG2 ILE 81 -15.769 -9.348 -1.039 632 1HD1 ILE 81 1HD1 ILE 81 -14.505 -5.304 0.785 633 2HD1 ILE 81 2HD1 ILE 81 -15.303 -6.890 0.902 634 3HD1 ILE 81 3HD1 ILE 81 -13.605 -6.785 0.378 635 H ALA 82 H ALA 82 -19.397 -6.911 -1.796 636 HA ALA 82 HA ALA 82 -19.895 -9.518 -2.988 637 1HB ALA 82 1HB ALA 82 -21.128 -7.808 -0.848 638 2HB ALA 82 2HB ALA 82 -22.159 -8.993 -1.685 639 3HB ALA 82 3HB ALA 82 -20.701 -9.535 -0.820 640 H HIS 83 H HIS 83 -19.439 -7.488 -4.893 641 HA HIS 83 HA HIS 83 -22.162 -6.910 -5.803 642 1HB HIS 83 1HB HIS 83 -20.252 -5.092 -5.348 643 2HB HIS 83 2HB HIS 83 -19.790 -5.530 -6.981 644 HD1 HIS 83 HD1 HIS 83 -20.756 -3.922 -8.615 645 HD2 HIS 83 HD2 HIS 83 -23.370 -4.660 -5.418 646 HE1 HIS 83 HE1 HIS 83 -22.853 -2.542 -9.072 647 HE2 HIS 83 HE2 HIS 83 -24.443 -3.079 -7.103 648 HA PRO 84 HA PRO 84 -21.389 -9.713 -9.017 649 1HB PRO 84 1HB PRO 84 -23.498 -9.123 -10.652 650 2HB PRO 84 2HB PRO 84 -23.635 -10.164 -9.249 651 1HG PRO 84 1HG PRO 84 -24.548 -7.372 -9.581 652 2HG PRO 84 2HG PRO 84 -25.036 -8.551 -8.380 653 1HD PRO 84 1HD PRO 84 -23.242 -6.347 -7.992 654 2HD PRO 84 2HD PRO 84 -23.640 -7.593 -6.825 655 H ALA 85 H ALA 85 -21.823 -6.338 -9.744 656 HA ALA 85 HA ALA 85 -20.906 -6.456 -12.380 657 1HB ALA 85 1HB ALA 85 -21.095 -4.171 -12.284 658 2HB ALA 85 2HB ALA 85 -22.011 -4.563 -10.809 659 3HB ALA 85 3HB ALA 85 -20.306 -4.063 -10.692 660 H HIS 86 H HIS 86 -19.203 -5.992 -9.224 661 HA HIS 86 HA HIS 86 -16.677 -5.710 -10.487 662 1HB HIS 86 1HB HIS 86 -16.772 -4.633 -8.453 663 2HB HIS 86 2HB HIS 86 -17.701 -5.905 -7.685 664 HD1 HIS 86 HD1 HIS 86 -16.224 -8.265 -7.336 665 HD2 HIS 86 HD2 HIS 86 -14.129 -4.656 -7.763 666 HE1 HIS 86 HE1 HIS 86 -13.885 -8.682 -6.404 667 HE2 HIS 86 HE2 HIS 86 -12.628 -6.446 -6.744 668 H VAL 87 H VAL 87 -18.583 -8.384 -9.052 669 HA VAL 87 HA VAL 87 -16.500 -10.260 -9.005 670 HB VAL 87 HB VAL 87 -19.485 -10.302 -8.928 671 1HG1 VAL 87 1HG1 VAL 87 -19.357 -12.823 -8.673 672 2HG1 VAL 87 2HG1 VAL 87 -19.137 -12.198 -10.325 673 3HG1 VAL 87 3HG1 VAL 87 -17.726 -12.727 -9.379 674 1HG2 VAL 87 1HG2 VAL 87 -17.633 -11.712 -7.029 675 2HG2 VAL 87 2HG2 VAL 87 -17.770 -9.938 -6.969 676 3HG2 VAL 87 3HG2 VAL 87 -19.213 -10.952 -6.725 677 H GLU 88 H GLU 88 -19.056 -9.507 -11.464 678 HA GLU 88 HA GLU 88 -18.364 -11.471 -13.238 679 1HB GLU 88 1HB GLU 88 -20.320 -9.665 -13.183 680 2HB GLU 88 2HB GLU 88 -19.248 -8.760 -14.233 681 1HG GLU 88 1HG GLU 88 -20.270 -9.974 -15.893 682 2HG GLU 88 2HG GLU 88 -19.094 -11.196 -15.452 683 H PHE 89 H PHE 89 -17.006 -8.173 -12.764 684 HA PHE 89 HA PHE 89 -15.320 -8.353 -15.052 685 1HB PHE 89 1HB PHE 89 -16.273 -6.426 -13.200 686 2HB PHE 89 2HB PHE 89 -14.570 -6.544 -12.802 687 HD1 PHE 89 HD1 PHE 89 -13.004 -5.350 -14.044 688 HD2 PHE 89 HD2 PHE 89 -16.857 -6.017 -15.692 689 HE1 PHE 89 HE1 PHE 89 -12.452 -3.819 -15.955 690 HE2 PHE 89 HE2 PHE 89 -16.305 -4.486 -17.603 691 HZ PHE 89 HZ PHE 89 -14.109 -3.405 -17.711 692 H ALA 90 H ALA 90 -14.933 -8.805 -11.488 693 HA ALA 90 HA ALA 90 -12.166 -9.101 -11.495 694 1HB ALA 90 1HB ALA 90 -12.736 -10.466 -9.351 695 2HB ALA 90 2HB ALA 90 -13.206 -8.750 -9.414 696 3HB ALA 90 3HB ALA 90 -14.423 -10.017 -9.701 697 H THR 91 H THR 91 -14.852 -11.452 -12.011 698 HA THR 91 HA THR 91 -13.238 -13.746 -12.062 699 HB THR 91 HB THR 91 -15.923 -13.083 -13.383 700 HG1 THR 91 HG1 THR 91 -16.222 -12.979 -11.163 701 1HG2 THR 91 1HG2 THR 91 -16.342 -15.491 -13.327 702 2HG2 THR 91 2HG2 THR 91 -14.815 -15.241 -14.207 703 3HG2 THR 91 3HG2 THR 91 -14.787 -15.789 -12.514 704 H ILE 92 H ILE 92 -14.170 -11.403 -14.623 705 HA ILE 92 HA ILE 92 -13.148 -12.882 -16.753 706 HB ILE 92 HB ILE 92 -13.805 -10.013 -16.248 707 1HG1 ILE 92 1HG1 ILE 92 -15.529 -11.778 -16.767 708 2HG1 ILE 92 2HG1 ILE 92 -15.534 -10.377 -17.820 709 1HG2 ILE 92 1HG2 ILE 92 -13.240 -9.571 -18.675 710 2HG2 ILE 92 2HG2 ILE 92 -11.859 -9.712 -17.562 711 3HG2 ILE 92 3HG2 ILE 92 -12.280 -11.068 -18.635 712 1HD1 ILE 92 1HD1 ILE 92 -15.607 -12.853 -18.822 713 2HD1 ILE 92 2HD1 ILE 92 -14.706 -11.560 -19.651 714 3HD1 ILE 92 3HD1 ILE 92 -13.841 -12.735 -18.631 715 H PHE 93 H PHE 93 -11.621 -10.656 -14.393 716 HA PHE 93 HA PHE 93 -9.153 -10.528 -15.756 717 1HB PHE 93 1HB PHE 93 -10.433 -9.277 -13.633 718 2HB PHE 93 2HB PHE 93 -9.342 -10.326 -12.750 719 HD1 PHE 93 HD1 PHE 93 -9.519 -7.163 -13.212 720 HD2 PHE 93 HD2 PHE 93 -6.993 -10.268 -14.621 721 HE1 PHE 93 HE1 PHE 93 -7.662 -5.505 -13.537 722 HE2 PHE 93 HE2 PHE 93 -5.137 -8.611 -14.946 723 HZ PHE 93 HZ PHE 93 -5.493 -6.249 -14.401 724 H LEU 94 H LEU 94 -10.463 -12.590 -13.094 725 HA LEU 94 HA LEU 94 -8.094 -13.863 -12.435 726 1HB LEU 94 1HB LEU 94 -11.001 -14.532 -12.214 727 2HB LEU 94 2HB LEU 94 -9.811 -15.761 -11.836 728 HG LEU 94 HG LEU 94 -9.386 -13.126 -10.541 729 1HD1 LEU 94 1HD1 LEU 94 -11.093 -13.961 -8.725 730 2HD1 LEU 94 2HD1 LEU 94 -11.637 -12.989 -10.114 731 3HD1 LEU 94 3HD1 LEU 94 -11.863 -14.755 -10.120 732 1HD2 LEU 94 1HD2 LEU 94 -8.471 -15.767 -10.238 733 2HD2 LEU 94 2HD2 LEU 94 -8.095 -14.356 -9.222 734 3HD2 LEU 94 3HD2 LEU 94 -9.456 -15.421 -8.797 735 H GLY 95 H GLY 95 -10.192 -14.161 -15.253 736 1HA GLY 95 1HA GLY 95 -9.512 -16.738 -16.101 737 2HA GLY 95 2HA GLY 95 -10.043 -15.410 -17.114 738 H SER 96 H SER 96 -7.847 -13.562 -16.440 739 HA SER 96 HA SER 96 -5.554 -15.049 -17.413 740 1HB SER 96 1HB SER 96 -6.741 -12.549 -18.683 741 2HB SER 96 2HB SER 96 -5.094 -13.065 -18.987 742 HG SER 96 HG SER 96 -6.400 -15.267 -19.428 743 H LEU 97 H LEU 97 -5.627 -14.504 -14.814 744 HA LEU 97 HA LEU 97 -4.154 -11.977 -14.522 745 1HB LEU 97 1HB LEU 97 -6.161 -11.681 -13.371 746 2HB LEU 97 2HB LEU 97 -6.171 -13.321 -12.753 747 HG LEU 97 HG LEU 97 -3.850 -11.770 -11.845 748 1HD1 LEU 97 1HD1 LEU 97 -5.927 -10.131 -12.071 749 2HD1 LEU 97 2HD1 LEU 97 -6.385 -10.903 -10.534 750 3HD1 LEU 97 3HD1 LEU 97 -4.819 -10.070 -10.679 751 1HD2 LEU 97 1HD2 LEU 97 -4.164 -12.915 -9.870 752 2HD2 LEU 97 2HD2 LEU 97 -5.929 -13.014 -10.076 753 3HD2 LEU 97 3HD2 LEU 97 -4.860 -14.048 -11.053 754 H ASP 98 H ASP 98 -2.147 -12.046 -13.542 755 HA ASP 98 HA ASP 98 -0.957 -14.602 -13.446 756 1HB ASP 98 1HB ASP 98 0.291 -12.596 -14.169 757 2HB ASP 98 2HB ASP 98 0.036 -11.838 -12.610 758 H LYS 99 H LYS 99 -1.442 -11.914 -11.020 759 HA LYS 99 HA LYS 99 -2.059 -13.846 -8.979 760 1HB LYS 99 1HB LYS 99 0.484 -12.205 -8.862 761 2HB LYS 99 2HB LYS 99 -0.264 -12.918 -7.447 762 1HG LYS 99 1HG LYS 99 -0.210 -15.168 -8.754 763 2HG LYS 99 2HG LYS 99 0.865 -14.361 -9.878 764 1HD LYS 99 1HD LYS 99 1.326 -14.833 -6.901 765 2HD LYS 99 2HD LYS 99 2.240 -15.508 -8.235 766 1HE LYS 99 1HE LYS 99 2.433 -12.758 -8.703 767 2HE LYS 99 2HE LYS 99 2.471 -12.847 -6.954 768 1HZ LYS 99 1HZ LYS 99 4.513 -13.620 -7.066 769 2HZ LYS 99 2HZ LYS 99 4.082 -14.863 -8.034 770 3HZ LYS 99 3HZ LYS 99 4.512 -13.430 -8.688 771 H VAL 100 H VAL 100 -2.967 -12.808 -7.050 772 HA VAL 100 HA VAL 100 -3.427 -9.956 -7.265 773 HB VAL 100 HB VAL 100 -5.218 -10.730 -8.606 774 1HG1 VAL 100 1HG1 VAL 100 -5.281 -13.066 -8.190 775 2HG1 VAL 100 2HG1 VAL 100 -5.638 -12.828 -6.462 776 3HG1 VAL 100 3HG1 VAL 100 -6.869 -12.439 -7.688 777 1HG2 VAL 100 1HG2 VAL 100 -7.152 -10.517 -6.642 778 2HG2 VAL 100 2HG2 VAL 100 -5.749 -9.703 -5.910 779 3HG2 VAL 100 3HG2 VAL 100 -6.369 -9.161 -7.488 780 H LEU 101 H LEU 101 -3.631 -9.004 -5.250 781 HA LEU 101 HA LEU 101 -3.971 -10.838 -2.992 782 1HB LEU 101 1HB LEU 101 -1.745 -8.880 -3.474 783 2HB LEU 101 2HB LEU 101 -2.235 -9.296 -1.844 784 HG LEU 101 HG LEU 101 -0.460 -10.731 -2.245 785 1HD1 LEU 101 1HD1 LEU 101 -1.335 -12.820 -1.940 786 2HD1 LEU 101 2HD1 LEU 101 -2.794 -11.836 -1.673 787 3HD1 LEU 101 3HD1 LEU 101 -2.535 -12.635 -3.242 788 1HD2 LEU 101 1HD2 LEU 101 -1.151 -10.367 -4.997 789 2HD2 LEU 101 2HD2 LEU 101 0.353 -11.003 -4.288 790 3HD2 LEU 101 3HD2 LEU 101 -0.989 -12.109 -4.668 791 H VAL 102 H VAL 102 -5.552 -10.181 -1.630 792 HA VAL 102 HA VAL 102 -6.503 -7.433 -1.987 793 HB VAL 102 HB VAL 102 -8.209 -8.947 -2.490 794 1HG1 VAL 102 1HG1 VAL 102 -8.848 -10.788 -0.806 795 2HG1 VAL 102 2HG1 VAL 102 -7.397 -11.044 -1.805 796 3HG1 VAL 102 3HG1 VAL 102 -7.230 -10.529 -0.109 797 1HG2 VAL 102 1HG2 VAL 102 -8.959 -8.618 0.379 798 2HG2 VAL 102 2HG2 VAL 102 -8.561 -7.146 -0.539 799 3HG2 VAL 102 3HG2 VAL 102 -9.866 -8.218 -1.099 800 H ILE 103 H ILE 103 -5.914 -5.983 -0.465 801 HA ILE 103 HA ILE 103 -5.829 -6.877 2.297 802 HB ILE 103 HB ILE 103 -3.483 -5.602 0.888 803 1HG1 ILE 103 1HG1 ILE 103 -3.777 -8.070 0.587 804 2HG1 ILE 103 2HG1 ILE 103 -2.280 -7.599 1.367 805 1HG2 ILE 103 1HG2 ILE 103 -3.501 -4.516 2.942 806 2HG2 ILE 103 2HG2 ILE 103 -4.123 -5.941 3.808 807 3HG2 ILE 103 3HG2 ILE 103 -2.439 -5.915 3.232 808 1HD1 ILE 103 1HD1 ILE 103 -2.867 -8.541 3.386 809 2HD1 ILE 103 2HD1 ILE 103 -4.584 -8.112 3.204 810 3HD1 ILE 103 3HD1 ILE 103 -3.926 -9.529 2.352 811 H ASP 104 H ASP 104 -6.121 -5.136 3.814 812 HA ASP 104 HA ASP 104 -7.393 -2.886 2.519 813 1HB ASP 104 1HB ASP 104 -8.524 -4.256 4.359 814 2HB ASP 104 2HB ASP 104 -7.327 -3.635 5.478 815 H TYR 105 H TYR 105 -6.970 -0.651 3.512 816 HA TYR 105 HA TYR 105 -4.218 -0.493 4.548 817 1HB TYR 105 1HB TYR 105 -4.399 0.381 2.248 818 2HB TYR 105 2HB TYR 105 -5.922 1.170 2.606 819 HD1 TYR 105 HD1 TYR 105 -2.273 1.401 2.867 820 HD2 TYR 105 HD2 TYR 105 -5.981 3.296 3.847 821 HE1 TYR 105 HE1 TYR 105 -1.040 3.564 3.382 822 HE2 TYR 105 HE2 TYR 105 -4.736 5.452 4.358 823 HH TYR 105 HH TYR 105 -2.815 6.421 4.530 824 H LYS 106 H LYS 106 -4.253 0.062 6.670 825 HA LYS 106 HA LYS 106 -6.183 2.135 7.440 826 1HB LYS 106 1HB LYS 106 -6.327 -0.503 8.251 827 2HB LYS 106 2HB LYS 106 -5.443 0.245 9.565 828 1HG LYS 106 1HG LYS 106 -7.909 1.624 8.476 829 2HG LYS 106 2HG LYS 106 -8.103 0.259 9.557 830 1HD LYS 106 1HD LYS 106 -6.424 1.497 11.129 831 2HD LYS 106 2HD LYS 106 -6.710 2.904 10.124 832 1HE LYS 106 1HE LYS 106 -8.642 3.326 11.232 833 2HE LYS 106 2HE LYS 106 -9.282 1.770 10.741 834 1HZ LYS 106 1HZ LYS 106 -7.647 1.042 12.677 835 2HZ LYS 106 2HZ LYS 106 -8.056 2.525 13.225 836 3HZ LYS 106 3HZ LYS 106 -9.217 1.415 12.930 837 HA PRO 107 HA PRO 107 -2.272 3.869 8.464 838 1HB PRO 107 1HB PRO 107 -3.100 6.472 8.536 839 2HB PRO 107 2HB PRO 107 -2.549 5.682 7.072 840 1HG PRO 107 1HG PRO 107 -5.309 6.363 7.885 841 2HG PRO 107 2HG PRO 107 -4.699 5.975 6.289 842 1HD PRO 107 1HD PRO 107 -6.205 4.250 8.016 843 2HD PRO 107 2HD PRO 107 -5.496 3.826 6.471 844 H THR 108 H THR 108 -1.815 3.036 10.452 845 HA THR 108 HA THR 108 -3.333 4.264 12.642 846 HB THR 108 HB THR 108 -1.706 1.707 12.293 847 HG1 THR 108 HG1 THR 108 -3.917 1.030 13.178 848 1HG2 THR 108 1HG2 THR 108 -1.637 3.146 14.664 849 2HG2 THR 108 2HG2 THR 108 -3.124 2.191 14.870 850 3HG2 THR 108 3HG2 THR 108 -1.574 1.370 14.573 851 H SER 109 H SER 109 -2.496 6.078 13.457 852 HA SER 109 HA SER 109 0.293 6.566 13.150 853 1HB SER 109 1HB SER 109 -2.079 8.093 14.214 854 2HB SER 109 2HB SER 109 -0.476 8.634 14.671 855 HG SER 109 HG SER 109 -1.321 8.193 11.934 856 H VAL 110 H VAL 110 1.887 6.562 14.790 857 HA VAL 110 HA VAL 110 0.999 5.360 17.317 858 HB VAL 110 HB VAL 110 3.562 5.206 15.739 859 1HG1 VAL 110 1HG1 VAL 110 4.505 3.879 17.615 860 2HG1 VAL 110 2HG1 VAL 110 4.224 5.583 18.046 861 3HG1 VAL 110 3HG1 VAL 110 3.097 4.326 18.608 862 1HG2 VAL 110 1HG2 VAL 110 1.324 3.364 16.420 863 2HG2 VAL 110 2HG2 VAL 110 2.325 3.465 14.951 864 3HG2 VAL 110 3HG2 VAL 110 2.963 2.671 16.411 865 H SER 111 H SER 111 1.653 6.277 19.294 866 HA SER 111 HA SER 111 2.068 9.050 19.173 867 1HB SER 111 1HB SER 111 2.664 7.942 21.793 868 2HB SER 111 2HB SER 111 1.307 8.936 21.299 869 HG SER 111 HG SER 111 0.993 6.561 22.104 870 H LEU 112 H LEU 112 3.988 10.147 18.987 871 HA LEU 112 HA LEU 112 6.409 8.719 19.841 872 1HB LEU 112 1HB LEU 112 7.602 9.725 17.992 873 2HB LEU 112 2HB LEU 112 6.290 8.705 17.435 874 HG LEU 112 HG LEU 112 5.070 11.160 17.494 875 1HD1 LEU 112 1HD1 LEU 112 6.589 12.779 17.646 876 2HD1 LEU 112 2HD1 LEU 112 7.940 11.635 17.457 877 3HD1 LEU 112 3HD1 LEU 112 7.130 12.301 16.018 878 1HD2 LEU 112 1HD2 LEU 112 4.596 10.359 15.482 879 2HD2 LEU 112 2HD2 LEU 112 6.188 10.922 14.917 880 3HD2 LEU 112 3HD2 LEU 112 5.999 9.265 15.539 881 1H GLY 1 1H GLY 1 4.776 36.587 6.602 882 1HA GLY 1 1HA GLY 1 6.617 35.248 5.636 883 2HA GLY 1 2HA GLY 1 6.043 33.912 6.614 884 H SER 2 H SER 2 4.856 36.308 4.155 885 HA SER 2 HA SER 2 2.601 34.858 3.482 886 1HB SER 2 1HB SER 2 4.258 36.849 1.876 887 2HB SER 2 2HB SER 2 2.706 36.239 1.339 888 HG SER 2 HG SER 2 2.059 38.017 2.419 889 H HIS 3 H HIS 3 5.969 34.859 2.183 890 HA HIS 3 HA HIS 3 5.684 33.390 -0.054 891 1HB HIS 3 1HB HIS 3 7.850 33.332 2.054 892 2HB HIS 3 2HB HIS 3 7.986 32.450 0.546 893 HD1 HIS 3 HD1 HIS 3 6.972 34.471 -1.507 894 HD2 HIS 3 HD2 HIS 3 9.463 35.507 1.704 895 HE1 HIS 3 HE1 HIS 3 8.146 36.634 -2.182 896 H MET 4 H MET 4 5.753 31.120 -0.600 897 HA MET 4 HA MET 4 5.264 29.322 1.610 898 1HB MET 4 1HB MET 4 3.228 30.322 -0.222 899 2HB MET 4 2HB MET 4 3.449 28.610 -0.525 900 1HG MET 4 1HG MET 4 2.487 28.014 1.466 901 2HG MET 4 2HG MET 4 3.376 29.228 2.364 902 1HE MET 4 1HE MET 4 1.466 32.181 2.662 903 2HE MET 4 2HE MET 4 1.185 30.834 3.791 904 3HE MET 4 3HE MET 4 2.804 31.090 3.095 905 H GLU 5 H GLU 5 5.552 27.019 1.013 906 HA GLU 5 HA GLU 5 7.393 26.841 -1.216 907 1HB GLU 5 1HB GLU 5 7.445 25.829 1.409 908 2HB GLU 5 2HB GLU 5 7.096 24.422 0.425 909 1HG GLU 5 1HG GLU 5 9.429 24.430 0.333 910 2HG GLU 5 2HG GLU 5 9.053 25.344 -1.114 911 H GLU 6 H GLU 6 7.276 24.915 -2.679 912 HA GLU 6 HA GLU 6 4.480 24.206 -3.070 913 1HB GLU 6 1HB GLU 6 6.791 24.693 -4.925 914 2HB GLU 6 2HB GLU 6 5.612 23.495 -5.420 915 1HG GLU 6 1HG GLU 6 4.381 25.976 -4.358 916 2HG GLU 6 2HG GLU 6 5.370 26.250 -5.779 917 H ALA 7 H ALA 7 3.848 22.114 -2.725 918 HA ALA 7 HA ALA 7 5.907 20.199 -2.052 919 1HB ALA 7 1HB ALA 7 3.682 20.655 -0.798 920 2HB ALA 7 2HB ALA 7 2.917 19.723 -2.107 921 3HB ALA 7 3HB ALA 7 4.150 18.960 -1.075 922 H LYS 8 H LYS 8 6.416 18.339 -3.221 923 HA LYS 8 HA LYS 8 5.431 18.365 -5.965 924 1HB LYS 8 1HB LYS 8 7.933 17.581 -4.612 925 2HB LYS 8 2HB LYS 8 7.409 16.464 -5.855 926 1HG LYS 8 1HG LYS 8 8.640 17.997 -7.127 927 2HG LYS 8 2HG LYS 8 7.021 18.645 -7.302 928 1HD LYS 8 1HD LYS 8 8.096 20.592 -6.661 929 2HD LYS 8 2HD LYS 8 7.692 19.987 -5.067 930 1HE LYS 8 1HE LYS 8 10.055 18.697 -5.381 931 2HE LYS 8 2HE LYS 8 10.361 20.044 -6.459 932 1HZ LYS 8 1HZ LYS 8 9.198 20.782 -3.951 933 2HZ LYS 8 2HZ LYS 8 10.689 20.129 -3.828 934 3HZ LYS 8 3HZ LYS 8 10.451 21.451 -4.756 935 H GLY 9 H GLY 9 3.737 17.507 -3.676 936 1HA GLY 9 1HA GLY 9 2.583 15.236 -4.804 937 2HA GLY 9 2HA GLY 9 3.651 14.687 -3.528 938 HA PRO 10 HA PRO 10 4.336 15.316 -1.765 939 1HB PRO 10 1HB PRO 10 4.145 14.190 0.718 940 2HB PRO 10 2HB PRO 10 4.493 15.888 0.460 941 1HG PRO 10 1HG PRO 10 1.973 14.628 1.352 942 2HG PRO 10 2HG PRO 10 2.473 16.301 1.493 943 1HD PRO 10 1HD PRO 10 0.604 15.222 -0.396 944 2HD PRO 10 2HD PRO 10 1.192 16.871 -0.329 945 H VAL 11 H VAL 11 5.588 13.351 -1.762 946 HA VAL 11 HA VAL 11 3.884 11.208 -2.751 947 HB VAL 11 HB VAL 11 6.774 11.958 -2.971 948 1HG1 VAL 11 1HG1 VAL 11 5.642 9.186 -3.084 949 2HG1 VAL 11 2HG1 VAL 11 6.901 9.643 -4.257 950 3HG1 VAL 11 3HG1 VAL 11 7.229 9.751 -2.511 951 1HG2 VAL 11 1HG2 VAL 11 6.332 12.240 -5.180 952 2HG2 VAL 11 2HG2 VAL 11 5.208 10.861 -5.246 953 3HG2 VAL 11 3HG2 VAL 11 4.663 12.424 -4.592 954 H LYS 12 H LYS 12 3.681 9.209 -1.753 955 HA LYS 12 HA LYS 12 4.978 9.029 0.877 956 1HB LYS 12 1HB LYS 12 3.036 7.663 1.555 957 2HB LYS 12 2HB LYS 12 2.594 9.299 1.111 958 1HG LYS 12 1HG LYS 12 1.648 8.619 -0.968 959 2HG LYS 12 2HG LYS 12 2.505 7.091 -0.970 960 1HD LYS 12 1HD LYS 12 0.718 6.101 0.006 961 2HD LYS 12 2HD LYS 12 0.945 7.108 1.422 962 1HE LYS 12 1HE LYS 12 -0.332 8.585 -0.791 963 2HE LYS 12 2HE LYS 12 -1.258 7.173 -0.323 964 1HZ LYS 12 1HZ LYS 12 -0.887 8.019 2.024 965 2HZ LYS 12 2HZ LYS 12 -0.474 9.442 1.338 966 3HZ LYS 12 3HZ LYS 12 -1.965 8.821 1.096 967 H HIS 13 H HIS 13 6.296 7.307 1.283 968 HA HIS 13 HA HIS 13 6.673 5.482 -0.939 969 1HB HIS 13 1HB HIS 13 8.688 6.451 -0.203 970 2HB HIS 13 2HB HIS 13 8.293 6.228 1.490 971 HD1 HIS 13 HD1 HIS 13 10.536 4.924 -0.866 972 HD2 HIS 13 HD2 HIS 13 7.941 3.126 1.895 973 HE1 HIS 13 HE1 HIS 13 11.425 2.564 -0.482 974 HE2 HIS 13 HE2 HIS 13 9.822 1.527 1.265 975 H VAL 14 H VAL 14 5.698 3.525 -0.973 976 HA VAL 14 HA VAL 14 4.648 2.524 1.565 977 HB VAL 14 HB VAL 14 4.023 1.865 -1.319 978 1HG1 VAL 14 1HG1 VAL 14 2.902 0.035 -0.686 979 2HG1 VAL 14 2HG1 VAL 14 3.732 0.175 0.882 980 3HG1 VAL 14 3HG1 VAL 14 2.118 0.893 0.662 981 1HG2 VAL 14 1HG2 VAL 14 2.150 3.183 -1.152 982 2HG2 VAL 14 2HG2 VAL 14 2.029 2.987 0.613 983 3HG2 VAL 14 3HG2 VAL 14 3.249 4.082 -0.080 984 H LEU 15 H LEU 15 5.661 0.884 2.600 985 HA LEU 15 HA LEU 15 7.371 -0.850 0.963 986 1HB LEU 15 1HB LEU 15 9.179 -0.276 2.073 987 2HB LEU 15 2HB LEU 15 8.265 1.024 2.811 988 HG LEU 15 HG LEU 15 7.603 -0.642 4.628 989 1HD1 LEU 15 1HD1 LEU 15 8.041 -2.775 4.026 990 2HD1 LEU 15 2HD1 LEU 15 9.418 -2.323 2.992 991 3HD1 LEU 15 3HD1 LEU 15 9.623 -2.414 4.758 992 1HD2 LEU 15 1HD2 LEU 15 9.878 0.994 4.297 993 2HD2 LEU 15 2HD2 LEU 15 9.124 0.449 5.815 994 3HD2 LEU 15 3HD2 LEU 15 10.438 -0.502 5.081 995 H LEU 16 H LEU 16 6.777 -2.945 1.083 996 HA LEU 16 HA LEU 16 5.214 -3.721 3.447 997 1HB LEU 16 1HB LEU 16 4.556 -5.551 1.542 998 2HB LEU 16 2HB LEU 16 3.606 -4.149 1.991 999 HG LEU 16 HG LEU 16 5.671 -4.021 -0.208 1000 1HD1 LEU 16 1HD1 LEU 16 4.455 -5.376 -1.476 1001 2HD1 LEU 16 2HD1 LEU 16 3.198 -5.513 -0.223 1002 3HD1 LEU 16 3HD1 LEU 16 3.138 -4.182 -1.404 1003 1HD2 LEU 16 1HD2 LEU 16 3.718 -2.188 0.963 1004 2HD2 LEU 16 2HD2 LEU 16 5.134 -1.861 -0.064 1005 3HD2 LEU 16 3HD2 LEU 16 3.583 -2.317 -0.807 1006 H ALA 17 H ALA 17 5.922 -5.451 4.637 1007 HA ALA 17 HA ALA 17 7.777 -7.316 3.477 1008 1HB ALA 17 1HB ALA 17 9.084 -5.202 4.259 1009 2HB ALA 17 2HB ALA 17 8.727 -5.780 5.904 1010 3HB ALA 17 3HB ALA 17 9.663 -6.800 4.786 1011 H SER 18 H SER 18 7.895 -9.261 4.710 1012 HA SER 18 HA SER 18 6.077 -9.259 6.992 1013 1HB SER 18 1HB SER 18 5.568 -10.514 4.607 1014 2HB SER 18 2HB SER 18 6.410 -11.796 5.454 1015 HG SER 18 HG SER 18 4.041 -11.754 5.774 1016 H PHE 19 H PHE 19 6.703 -10.570 8.801 1017 HA PHE 19 HA PHE 19 9.534 -11.102 8.875 1018 1HB PHE 19 1HB PHE 19 7.235 -11.435 10.896 1019 2HB PHE 19 2HB PHE 19 8.935 -11.541 11.310 1020 HD1 PHE 19 HD1 PHE 19 6.137 -9.373 10.951 1021 HD2 PHE 19 HD2 PHE 19 10.380 -9.452 10.899 1022 HE1 PHE 19 HE1 PHE 19 6.189 -6.900 11.377 1023 HE2 PHE 19 HE2 PHE 19 10.431 -6.979 11.325 1024 HZ PHE 19 HZ PHE 19 8.335 -5.733 11.559 1025 H LYS 20 H LYS 20 10.346 -13.033 8.218 1026 HA LYS 20 HA LYS 20 8.608 -15.376 8.539 1027 1HB LYS 20 1HB LYS 20 9.713 -16.359 6.683 1028 2HB LYS 20 2HB LYS 20 9.296 -14.724 6.213 1029 1HG LYS 20 1HG LYS 20 11.506 -14.008 6.186 1030 2HG LYS 20 2HG LYS 20 11.987 -15.078 7.487 1031 1HD LYS 20 1HD LYS 20 11.129 -16.571 5.092 1032 2HD LYS 20 2HD LYS 20 12.455 -15.480 4.743 1033 1HE LYS 20 1HE LYS 20 12.739 -17.044 7.275 1034 2HE LYS 20 2HE LYS 20 12.771 -17.999 5.806 1035 1HZ LYS 20 1HZ LYS 20 14.590 -15.888 6.637 1036 2HZ LYS 20 2HZ LYS 20 14.932 -17.367 6.034 1037 3HZ LYS 20 3HZ LYS 20 14.401 -16.183 5.042 1038 H ASP 21 H ASP 21 10.831 -17.250 8.169 1039 HA ASP 21 HA ASP 21 12.355 -18.311 9.294 1040 1HB ASP 21 1HB ASP 21 13.446 -15.937 9.365 1041 2HB ASP 21 2HB ASP 21 12.874 -15.858 11.020 1042 H GLY 22 H GLY 22 13.012 -18.800 11.847 1043 1HA GLY 22 1HA GLY 22 10.476 -19.282 13.167 1044 2HA GLY 22 2HA GLY 22 12.056 -19.892 13.617 1045 H VAL 23 H VAL 23 11.500 -16.435 12.922 1046 HA VAL 23 HA VAL 23 12.496 -15.743 15.501 1047 HB VAL 23 HB VAL 23 12.656 -14.596 13.121 1048 1HG1 VAL 23 1HG1 VAL 23 10.162 -14.215 13.056 1049 2HG1 VAL 23 2HG1 VAL 23 10.376 -13.035 14.370 1050 3HG1 VAL 23 3HG1 VAL 23 11.155 -12.762 12.793 1051 1HG2 VAL 23 1HG2 VAL 23 13.570 -12.714 14.170 1052 2HG2 VAL 23 2HG2 VAL 23 12.400 -12.771 15.511 1053 3HG2 VAL 23 3HG2 VAL 23 13.699 -13.984 15.411 1054 H SER 24 H SER 24 11.343 -15.630 17.351 1055 HA SER 24 HA SER 24 8.740 -16.242 17.563 1056 1HB SER 24 1HB SER 24 9.976 -14.188 19.419 1057 2HB SER 24 2HB SER 24 8.860 -15.479 19.816 1058 HG SER 24 HG SER 24 11.674 -15.604 19.313 1059 HA PRO 25 HA PRO 25 6.491 -12.728 16.325 1060 1HB PRO 25 1HB PRO 25 4.173 -12.996 17.748 1061 2HB PRO 25 2HB PRO 25 4.510 -13.901 16.285 1062 1HG PRO 25 1HG PRO 25 4.564 -14.828 19.091 1063 2HG PRO 25 2HG PRO 25 4.476 -15.780 17.622 1064 1HD PRO 25 1HD PRO 25 6.788 -15.381 19.273 1065 2HD PRO 25 2HD PRO 25 6.726 -16.235 17.744 1066 H GLU 26 H GLU 26 6.724 -13.184 19.785 1067 HA GLU 26 HA GLU 26 5.958 -10.614 20.452 1068 1HB GLU 26 1HB GLU 26 6.827 -12.935 21.795 1069 2HB GLU 26 2HB GLU 26 8.006 -11.717 22.241 1070 1HG GLU 26 1HG GLU 26 6.342 -10.269 23.170 1071 2HG GLU 26 2HG GLU 26 5.033 -11.095 22.347 1072 H LYS 27 H LYS 27 9.002 -11.943 19.211 1073 HA LYS 27 HA LYS 27 10.617 -9.749 19.992 1074 1HB LYS 27 1HB LYS 27 11.550 -11.960 19.563 1075 2HB LYS 27 2HB LYS 27 11.010 -11.906 17.898 1076 1HG LYS 27 1HG LYS 27 12.929 -10.852 17.319 1077 2HG LYS 27 2HG LYS 27 12.477 -9.491 18.326 1078 1HD LYS 27 1HD LYS 27 13.551 -10.508 20.289 1079 2HD LYS 27 2HD LYS 27 13.864 -11.988 19.404 1080 1HE LYS 27 1HE LYS 27 15.822 -11.138 18.640 1081 2HE LYS 27 2HE LYS 27 14.964 -9.830 17.851 1082 1HZ LYS 27 1HZ LYS 27 16.424 -8.877 19.389 1083 2HZ LYS 27 2HZ LYS 27 14.945 -8.729 20.066 1084 3HZ LYS 27 3HZ LYS 27 15.978 -9.875 20.602 1085 H ILE 28 H ILE 28 8.435 -10.462 17.286 1086 HA ILE 28 HA ILE 28 9.420 -8.557 15.498 1087 HB ILE 28 HB ILE 28 6.654 -9.710 15.864 1088 1HG1 ILE 28 1HG1 ILE 28 8.844 -10.497 13.923 1089 2HG1 ILE 28 2HG1 ILE 28 8.529 -11.324 15.435 1090 1HG2 ILE 28 1HG2 ILE 28 7.739 -8.370 13.381 1091 2HG2 ILE 28 2HG2 ILE 28 6.075 -8.910 13.714 1092 3HG2 ILE 28 3HG2 ILE 28 6.754 -7.522 14.597 1093 1HD1 ILE 28 1HD1 ILE 28 5.988 -11.163 14.270 1094 2HD1 ILE 28 2HD1 ILE 28 7.065 -11.472 12.888 1095 3HD1 ILE 28 3HD1 ILE 28 7.047 -12.593 14.270 1096 H GLU 29 H GLU 29 7.059 -8.363 18.209 1097 HA GLU 29 HA GLU 29 6.235 -5.775 17.658 1098 1HB GLU 29 1HB GLU 29 5.660 -7.759 19.560 1099 2HB GLU 29 2HB GLU 29 6.291 -6.438 20.525 1100 1HG GLU 29 1HG GLU 29 4.490 -5.380 18.493 1101 2HG GLU 29 2HG GLU 29 3.686 -6.665 19.372 1102 H GLU 30 H GLU 30 9.029 -7.102 19.467 1103 HA GLU 30 HA GLU 30 9.756 -4.766 20.746 1104 1HB GLU 30 1HB GLU 30 11.014 -7.371 20.084 1105 2HB GLU 30 2HB GLU 30 12.161 -6.063 20.297 1106 1HG GLU 30 1HG GLU 30 10.158 -5.874 22.384 1107 2HG GLU 30 2HG GLU 30 10.746 -7.524 22.328 1108 H LEU 31 H LEU 31 10.360 -5.975 17.432 1109 HA LEU 31 HA LEU 31 12.278 -3.954 16.831 1110 1HB LEU 31 1HB LEU 31 10.817 -6.075 15.306 1111 2HB LEU 31 2HB LEU 31 11.646 -4.802 14.434 1112 HG LEU 31 HG LEU 31 13.411 -5.877 16.442 1113 1HD1 LEU 31 1HD1 LEU 31 12.703 -8.004 16.527 1114 2HD1 LEU 31 2HD1 LEU 31 11.727 -7.850 15.046 1115 3HD1 LEU 31 3HD1 LEU 31 13.478 -8.144 14.930 1116 1HD2 LEU 31 1HD2 LEU 31 14.668 -6.509 14.248 1117 2HD2 LEU 31 2HD2 LEU 31 13.382 -5.567 13.456 1118 3HD2 LEU 31 3HD2 LEU 31 14.429 -4.797 14.672 1119 H ILE 32 H ILE 32 8.753 -4.464 16.235 1120 HA ILE 32 HA ILE 32 8.387 -2.183 14.678 1121 HB ILE 32 HB ILE 32 6.530 -3.764 16.451 1122 1HG1 ILE 32 1HG1 ILE 32 6.792 -3.714 13.432 1123 2HG1 ILE 32 2HG1 ILE 32 7.591 -4.886 14.461 1124 1HG2 ILE 32 1HG2 ILE 32 4.989 -2.185 16.247 1125 2HG2 ILE 32 2HG2 ILE 32 6.099 -1.175 15.291 1126 3HG2 ILE 32 3HG2 ILE 32 5.061 -2.370 14.478 1127 1HD1 ILE 32 1HD1 ILE 32 5.375 -5.594 15.378 1128 2HD1 ILE 32 2HD1 ILE 32 4.577 -4.426 14.298 1129 3HD1 ILE 32 3HD1 ILE 32 5.467 -5.806 13.613 1130 H LYS 33 H LYS 33 8.105 -2.711 18.250 1131 HA LYS 33 HA LYS 33 7.259 -0.175 18.912 1132 1HB LYS 33 1HB LYS 33 7.504 -0.884 21.040 1133 2HB LYS 33 2HB LYS 33 7.736 -2.443 20.276 1134 1HG LYS 33 1HG LYS 33 10.282 -1.722 20.161 1135 2HG LYS 33 2HG LYS 33 9.833 -0.558 21.392 1136 1HD LYS 33 1HD LYS 33 8.859 -3.346 21.862 1137 2HD LYS 33 2HD LYS 33 10.599 -3.143 21.927 1138 1HE LYS 33 1HE LYS 33 10.159 -1.134 23.509 1139 2HE LYS 33 2HE LYS 33 8.503 -1.699 23.604 1140 1HZ LYS 33 1HZ LYS 33 10.767 -3.474 24.155 1141 2HZ LYS 33 2HZ LYS 33 10.084 -2.555 25.319 1142 3HZ LYS 33 3HZ LYS 33 9.198 -3.693 24.553 1143 H GLY 34 H GLY 34 10.496 -1.394 18.034 1144 1HA GLY 34 1HA GLY 34 11.938 0.892 18.905 1145 2HA GLY 34 2HA GLY 34 12.477 -0.348 17.790 1146 H TYR 35 H TYR 35 10.797 -0.227 15.632 1147 HA TYR 35 HA TYR 35 11.730 1.691 14.036 1148 1HB TYR 35 1HB TYR 35 10.231 0.438 12.777 1149 2HB TYR 35 2HB TYR 35 9.462 -0.131 14.245 1150 HD1 TYR 35 HD1 TYR 35 9.587 3.140 12.390 1151 HD2 TYR 35 HD2 TYR 35 7.167 0.140 14.246 1152 HE1 TYR 35 HE1 TYR 35 7.493 4.462 11.812 1153 HE2 TYR 35 HE2 TYR 35 5.081 1.472 13.663 1154 HH TYR 35 HH TYR 35 4.945 4.442 13.086 1155 H ALA 36 H ALA 36 8.807 2.033 16.153 1156 HA ALA 36 HA ALA 36 8.162 4.615 15.297 1157 1HB ALA 36 1HB ALA 36 6.677 3.033 16.542 1158 2HB ALA 36 2HB ALA 36 7.662 3.303 17.999 1159 3HB ALA 36 3HB ALA 36 6.746 4.650 17.282 1160 H ASN 37 H ASN 37 10.199 3.390 18.028 1161 HA ASN 37 HA ASN 37 10.728 5.867 19.108 1162 1HB ASN 37 1HB ASN 37 11.517 3.172 19.550 1163 2HB ASN 37 2HB ASN 37 13.023 4.028 19.279 1164 1HD2 ASN 37 1HD2 ASN 37 10.477 3.364 21.419 1165 2HD2 ASN 37 2HD2 ASN 37 10.911 4.416 22.725 1166 H LEU 38 H LEU 38 12.099 4.049 16.354 1167 HA LEU 38 HA LEU 38 14.466 5.558 16.089 1168 1HB LEU 38 1HB LEU 38 14.250 3.342 15.177 1169 2HB LEU 38 2HB LEU 38 12.911 3.836 14.159 1170 HG LEU 38 HG LEU 38 14.862 5.573 13.337 1171 1HD1 LEU 38 1HD1 LEU 38 16.797 4.863 14.252 1172 2HD1 LEU 38 2HD1 LEU 38 16.190 3.214 14.539 1173 3HD1 LEU 38 3HD1 LEU 38 16.748 3.688 12.916 1174 1HD2 LEU 38 1HD2 LEU 38 13.453 4.427 11.807 1175 2HD2 LEU 38 2HD2 LEU 38 15.128 3.991 11.392 1176 3HD2 LEU 38 3HD2 LEU 38 14.104 2.840 12.285 1177 H VAL 39 H VAL 39 11.094 5.964 14.998 1178 HA VAL 39 HA VAL 39 11.619 7.952 13.087 1179 HB VAL 39 HB VAL 39 9.176 7.310 14.748 1180 1HG1 VAL 39 1HG1 VAL 39 9.360 9.683 13.703 1181 2HG1 VAL 39 2HG1 VAL 39 9.118 8.843 12.152 1182 3HG1 VAL 39 3HG1 VAL 39 7.881 8.733 13.428 1183 1HG2 VAL 39 1HG2 VAL 39 9.055 5.509 13.432 1184 2HG2 VAL 39 2HG2 VAL 39 8.766 6.611 12.064 1185 3HG2 VAL 39 3HG2 VAL 39 10.420 6.068 12.435 1186 H ASN 40 H ASN 40 11.286 7.955 16.634 1187 HA ASN 40 HA ASN 40 10.907 10.714 16.858 1188 1HB ASN 40 1HB ASN 40 10.381 9.115 18.694 1189 2HB ASN 40 2HB ASN 40 12.071 8.673 18.825 1190 1HD2 ASN 40 1HD2 ASN 40 12.890 9.460 20.602 1191 2HD2 ASN 40 2HD2 ASN 40 12.681 11.056 21.241 1192 H LEU 41 H LEU 41 13.615 8.697 16.046 1193 HA LEU 41 HA LEU 41 15.592 10.570 17.042 1194 1HB LEU 41 1HB LEU 41 15.574 7.804 15.970 1195 2HB LEU 41 2HB LEU 41 17.010 8.759 15.656 1196 HG LEU 41 HG LEU 41 16.047 8.800 18.460 1197 1HD1 LEU 41 1HD1 LEU 41 15.869 6.609 18.755 1198 2HD1 LEU 41 2HD1 LEU 41 16.343 6.291 17.070 1199 3HD1 LEU 41 3HD1 LEU 41 17.590 6.453 18.330 1200 1HD2 LEU 41 1HD2 LEU 41 18.215 9.213 18.950 1201 2HD2 LEU 41 2HD2 LEU 41 18.830 8.078 17.724 1202 3HD2 LEU 41 3HD2 LEU 41 18.268 9.695 17.237 1203 H ILE 42 H ILE 42 14.658 9.101 13.848 1204 HA ILE 42 HA ILE 42 16.222 10.718 12.279 1205 HB ILE 42 HB ILE 42 13.528 9.473 11.731 1206 1HG1 ILE 42 1HG1 ILE 42 15.386 7.944 12.422 1207 2HG1 ILE 42 2HG1 ILE 42 14.729 7.626 10.829 1208 1HG2 ILE 42 1HG2 ILE 42 13.994 11.309 10.156 1209 2HG2 ILE 42 2HG2 ILE 42 15.547 10.546 9.741 1210 3HG2 ILE 42 3HG2 ILE 42 14.018 9.714 9.367 1211 1HD1 ILE 42 1HD1 ILE 42 16.971 9.565 10.804 1212 2HD1 ILE 42 2HD1 ILE 42 17.418 7.947 11.395 1213 3HD1 ILE 42 3HD1 ILE 42 16.692 8.135 9.781 1214 H GLU 43 H GLU 43 16.337 12.882 12.074 1215 HA GLU 43 HA GLU 43 14.458 14.546 13.243 1216 1HB GLU 43 1HB GLU 43 16.976 14.791 11.826 1217 2HB GLU 43 2HB GLU 43 15.869 16.013 11.233 1218 1HG GLU 43 1HG GLU 43 15.416 16.759 13.568 1219 2HG GLU 43 2HG GLU 43 16.483 15.513 14.185 1220 HA PRO 44 HA PRO 44 12.844 15.212 8.836 1221 1HB PRO 44 1HB PRO 44 13.767 13.667 6.778 1222 2HB PRO 44 2HB PRO 44 14.409 15.255 7.147 1223 1HG PRO 44 1HG PRO 44 15.606 12.604 7.674 1224 2HG PRO 44 2HG PRO 44 16.386 14.172 7.638 1225 1HD PRO 44 1HD PRO 44 15.676 12.662 9.971 1226 2HD PRO 44 2HD PRO 44 16.350 14.279 9.934 1227 H MET 45 H MET 45 10.787 14.653 9.147 1228 HA MET 45 HA MET 45 9.889 12.275 8.093 1229 1HB MET 45 1HB MET 45 11.104 11.910 10.638 1230 2HB MET 45 2HB MET 45 9.386 11.938 10.987 1231 1HG MET 45 1HG MET 45 9.027 9.910 9.985 1232 2HG MET 45 2HG MET 45 10.018 10.315 8.598 1233 1HE MET 45 1HE MET 45 9.966 7.829 9.071 1234 2HE MET 45 2HE MET 45 11.639 7.243 9.233 1235 3HE MET 45 3HE MET 45 10.510 7.099 10.601 1236 H LYS 46 H LYS 46 7.939 13.032 7.395 1237 HA LYS 46 HA LYS 46 6.627 15.141 8.787 1238 1HB LYS 46 1HB LYS 46 6.566 13.951 6.187 1239 2HB LYS 46 2HB LYS 46 4.935 13.927 6.827 1240 1HG LYS 46 1HG LYS 46 4.844 16.096 6.108 1241 2HG LYS 46 2HG LYS 46 5.722 16.455 7.582 1242 1HD LYS 46 1HD LYS 46 7.501 17.172 6.377 1243 2HD LYS 46 2HD LYS 46 7.653 15.596 5.626 1244 1HE LYS 46 1HE LYS 46 7.098 16.619 3.669 1245 2HE LYS 46 2HE LYS 46 5.458 16.684 4.284 1246 1HZ LYS 46 1HZ LYS 46 6.749 18.784 5.447 1247 2HZ LYS 46 2HZ LYS 46 7.278 18.791 3.902 1248 3HZ LYS 46 3HZ LYS 46 5.677 18.861 4.217 1249 H ALA 47 H ALA 47 5.255 11.943 7.764 1250 HA ALA 47 HA ALA 47 4.311 11.558 10.493 1251 1HB ALA 47 1HB ALA 47 2.367 12.577 9.765 1252 2HB ALA 47 2HB ALA 47 2.622 12.099 8.069 1253 3HB ALA 47 3HB ALA 47 2.043 10.903 9.254 1254 H PHE 48 H PHE 48 4.007 9.352 11.025 1255 HA PHE 48 HA PHE 48 4.665 7.481 8.866 1256 1HB PHE 48 1HB PHE 48 6.521 8.163 10.635 1257 2HB PHE 48 2HB PHE 48 5.556 7.269 11.793 1258 HD1 PHE 48 HD1 PHE 48 8.397 6.977 10.040 1259 HD2 PHE 48 HD2 PHE 48 4.739 4.876 10.506 1260 HE1 PHE 48 HE1 PHE 48 9.530 4.849 9.341 1261 HE2 PHE 48 HE2 PHE 48 5.872 2.748 9.808 1262 HZ PHE 48 HZ PHE 48 8.254 2.760 9.233 1263 H HIS 49 H HIS 49 2.942 6.151 8.582 1264 HA HIS 49 HA HIS 49 1.616 5.210 11.013 1265 1HB HIS 49 1HB HIS 49 -0.540 5.463 10.058 1266 2HB HIS 49 2HB HIS 49 0.284 6.999 9.883 1267 HD1 HIS 49 HD1 HIS 49 0.099 8.029 7.617 1268 HD2 HIS 49 HD2 HIS 49 -0.304 3.856 7.486 1269 HE1 HIS 49 HE1 HIS 49 -0.416 7.437 5.189 1270 HE2 HIS 49 HE2 HIS 49 -0.598 4.856 5.161 1271 H TRP 50 H TRP 50 1.345 3.009 11.109 1272 HA TRP 50 HA TRP 50 2.136 1.541 8.690 1273 1HB TRP 50 1HB TRP 50 2.967 -0.174 10.069 1274 2HB TRP 50 2HB TRP 50 3.593 1.335 10.705 1275 HD1 TRP 50 HD1 TRP 50 1.830 2.321 12.875 1276 HE1 TRP 50 HE1 TRP 50 0.950 0.992 14.979 1277 HE3 TRP 50 HE3 TRP 50 2.461 -2.310 10.871 1278 HZ2 TRP 50 HZ2 TRP 50 0.624 -1.784 15.556 1279 HZ3 TRP 50 HZ3 TRP 50 1.837 -4.276 12.271 1280 HH2 TRP 50 HH2 TRP 50 0.947 -4.068 14.538 1281 H GLY 51 H GLY 51 0.705 0.011 7.845 1282 1HA GLY 51 1HA GLY 51 -1.918 -0.154 9.203 1283 2HA GLY 51 2HA GLY 51 -1.678 -0.180 7.468 1284 H LYS 52 H LYS 52 -3.009 -2.209 9.184 1285 HA LYS 52 HA LYS 52 -1.285 -4.470 8.465 1286 1HB LYS 52 1HB LYS 52 -1.254 -3.979 10.940 1287 2HB LYS 52 2HB LYS 52 -2.970 -4.331 10.980 1288 1HG LYS 52 1HG LYS 52 -1.737 -6.483 9.545 1289 2HG LYS 52 2HG LYS 52 -0.734 -6.188 10.951 1290 1HD LYS 52 1HD LYS 52 -2.836 -6.253 12.385 1291 2HD LYS 52 2HD LYS 52 -3.743 -6.712 10.957 1292 1HE LYS 52 1HE LYS 52 -2.266 -8.728 10.683 1293 2HE LYS 52 2HE LYS 52 -1.391 -8.274 12.132 1294 1HZ LYS 52 1HZ LYS 52 -3.329 -8.575 13.411 1295 2HZ LYS 52 2HZ LYS 52 -4.290 -8.736 12.101 1296 3HZ LYS 52 3HZ LYS 52 -3.201 -9.899 12.463 1297 H ASP 53 H ASP 53 -2.321 -6.185 7.452 1298 HA ASP 53 HA ASP 53 -4.621 -5.623 6.097 1299 1HB ASP 53 1HB ASP 53 -3.163 -7.375 5.318 1300 2HB ASP 53 2HB ASP 53 -3.253 -8.235 6.842 1301 H VAL 54 H VAL 54 -6.786 -6.851 6.283 1302 HA VAL 54 HA VAL 54 -7.452 -7.216 9.120 1303 HB VAL 54 HB VAL 54 -9.817 -6.770 8.177 1304 1HG1 VAL 54 1HG1 VAL 54 -7.891 -5.175 9.371 1305 2HG1 VAL 54 2HG1 VAL 54 -8.406 -4.210 7.966 1306 3HG1 VAL 54 3HG1 VAL 54 -9.609 -4.762 9.156 1307 1HG2 VAL 54 1HG2 VAL 54 -8.961 -6.922 5.771 1308 2HG2 VAL 54 2HG2 VAL 54 -10.024 -5.549 6.164 1309 3HG2 VAL 54 3HG2 VAL 54 -8.266 -5.304 6.032 1310 H SER 55 H SER 55 -9.421 -8.771 9.396 1311 HA SER 55 HA SER 55 -8.705 -11.255 8.894 1312 1HB SER 55 1HB SER 55 -11.025 -9.981 9.828 1313 2HB SER 55 2HB SER 55 -11.614 -10.986 8.518 1314 HG SER 55 HG SER 55 -11.279 -11.860 10.894 1315 H ILE 56 H ILE 56 -7.837 -11.867 6.897 1316 HA ILE 56 HA ILE 56 -9.654 -11.599 4.602 1317 HB ILE 56 HB ILE 56 -7.533 -10.241 4.566 1318 1HG1 ILE 56 1HG1 ILE 56 -6.949 -11.094 2.187 1319 2HG1 ILE 56 2HG1 ILE 56 -8.248 -12.244 2.428 1320 1HG2 ILE 56 1HG2 ILE 56 -6.288 -12.995 4.381 1321 2HG2 ILE 56 2HG2 ILE 56 -5.464 -11.486 3.919 1322 3HG2 ILE 56 3HG2 ILE 56 -5.981 -11.738 5.603 1323 1HD1 ILE 56 1HD1 ILE 56 -9.721 -10.221 3.095 1324 2HD1 ILE 56 2HD1 ILE 56 -8.419 -9.208 2.426 1325 3HD1 ILE 56 3HD1 ILE 56 -9.277 -10.363 1.377 1326 H GLU 57 H GLU 57 -8.954 -13.704 6.920 1327 HA GLU 57 HA GLU 57 -9.124 -15.865 7.087 1328 1HB GLU 57 1HB GLU 57 -10.263 -15.376 4.454 1329 2HB GLU 57 2HB GLU 57 -9.428 -16.916 4.458 1330 1HG GLU 57 1HG GLU 57 -10.675 -17.402 6.690 1331 2HG GLU 57 2HG GLU 57 -11.676 -16.015 6.305 1332 H ASN 58 H ASN 58 -7.556 -15.409 3.828 1333 HA ASN 58 HA ASN 58 -5.003 -15.803 4.674 1334 1HB ASN 58 1HB ASN 58 -6.403 -18.244 4.880 1335 2HB ASN 58 2HB ASN 58 -5.570 -18.387 3.345 1336 1HD2 ASN 58 1HD2 ASN 58 -4.478 -20.120 4.535 1337 2HD2 ASN 58 2HD2 ASN 58 -3.063 -19.755 5.465 1338 H LEU 59 H LEU 59 -4.539 -14.351 2.948 1339 HA LEU 59 HA LEU 59 -4.214 -15.439 0.387 1340 1HB LEU 59 1HB LEU 59 -6.814 -14.886 0.733 1341 2HB LEU 59 2HB LEU 59 -6.267 -13.300 0.228 1342 HG LEU 59 HG LEU 59 -5.342 -14.264 -1.843 1343 1HD1 LEU 59 1HD1 LEU 59 -6.644 -16.804 -1.881 1344 2HD1 LEU 59 2HD1 LEU 59 -4.913 -16.427 -2.051 1345 3HD1 LEU 59 3HD1 LEU 59 -5.605 -16.721 -0.438 1346 1HD2 LEU 59 1HD2 LEU 59 -8.144 -15.283 -1.796 1347 2HD2 LEU 59 2HD2 LEU 59 -7.870 -13.572 -1.389 1348 3HD2 LEU 59 3HD2 LEU 59 -7.326 -14.212 -2.959 1349 H HIS 60 H HIS 60 -2.125 -14.601 1.187 1350 HA HIS 60 HA HIS 60 -1.636 -12.053 0.096 1351 1HB HIS 60 1HB HIS 60 -0.940 -10.859 2.091 1352 2HB HIS 60 2HB HIS 60 -2.642 -11.271 2.175 1353 HD1 HIS 60 HD1 HIS 60 0.616 -11.804 3.898 1354 HD2 HIS 60 HD2 HIS 60 -3.283 -13.341 4.083 1355 HE1 HIS 60 HE1 HIS 60 0.455 -13.084 6.100 1356 HE2 HIS 60 HE2 HIS 60 -1.978 -13.959 6.183 1357 H GLN 61 H GLN 61 0.742 -11.502 0.256 1358 HA GLN 61 HA GLN 61 2.200 -14.009 0.432 1359 1HB GLN 61 1HB GLN 61 3.179 -11.437 -0.860 1360 2HB GLN 61 2HB GLN 61 3.785 -13.062 -1.112 1361 1HG GLN 61 1HG GLN 61 1.033 -12.020 -1.933 1362 2HG GLN 61 2HG GLN 61 2.366 -12.376 -3.013 1363 1HE2 GLN 61 1HE2 GLN 61 0.062 -13.553 -3.546 1364 2HE2 GLN 61 2HE2 GLN 61 0.063 -15.242 -3.162 1365 H GLY 62 H GLY 62 1.497 -11.318 2.295 1366 1HA GLY 62 1HA GLY 62 2.565 -11.327 4.483 1367 2HA GLY 62 2HA GLY 62 4.112 -11.469 3.672 1368 H TYR 63 H TYR 63 1.478 -9.443 2.367 1369 HA TYR 63 HA TYR 63 3.207 -7.127 2.685 1370 1HB TYR 63 1HB TYR 63 0.478 -7.611 1.333 1371 2HB TYR 63 2HB TYR 63 1.467 -6.183 1.097 1372 HD1 TYR 63 HD1 TYR 63 4.164 -7.308 0.712 1373 HD2 TYR 63 HD2 TYR 63 0.382 -8.692 -0.732 1374 HE1 TYR 63 HE1 TYR 63 5.319 -8.440 -1.250 1375 HE2 TYR 63 HE2 TYR 63 1.550 -9.819 -2.689 1376 HH TYR 63 HH TYR 63 4.802 -10.400 -2.754 1377 H THR 64 H THR 64 0.502 -8.650 4.232 1378 HA THR 64 HA THR 64 -1.208 -6.806 5.048 1379 HB THR 64 HB THR 64 -1.303 -8.066 7.185 1380 HG1 THR 64 HG1 THR 64 0.610 -9.633 7.375 1381 1HG2 THR 64 1HG2 THR 64 -1.767 -10.158 6.283 1382 2HG2 THR 64 2HG2 THR 64 -1.613 -9.270 4.748 1383 3HG2 THR 64 3HG2 THR 64 -0.238 -10.212 5.374 1384 H HIS 65 H HIS 65 2.245 -6.858 5.963 1385 HA HIS 65 HA HIS 65 1.796 -4.557 7.668 1386 1HB HIS 65 1HB HIS 65 4.141 -6.382 7.153 1387 2HB HIS 65 2HB HIS 65 4.348 -4.857 7.991 1388 HD1 HIS 65 HD1 HIS 65 1.605 -7.522 8.371 1389 HD2 HIS 65 HD2 HIS 65 4.515 -5.517 10.631 1390 HE1 HIS 65 HE1 HIS 65 1.310 -8.312 10.779 1391 HE2 HIS 65 HE2 HIS 65 3.160 -7.087 12.111 1392 H ILE 66 H ILE 66 2.202 -2.471 7.063 1393 HA ILE 66 HA ILE 66 3.916 -2.025 4.760 1394 HB ILE 66 HB ILE 66 1.041 -1.111 4.895 1395 1HG1 ILE 66 1HG1 ILE 66 2.490 -3.211 3.323 1396 2HG1 ILE 66 2HG1 ILE 66 0.919 -3.278 4.097 1397 1HG2 ILE 66 1HG2 ILE 66 2.992 0.450 3.963 1398 2HG2 ILE 66 2HG2 ILE 66 2.755 -0.566 2.521 1399 3HG2 ILE 66 3HG2 ILE 66 1.389 0.356 3.195 1400 1HD1 ILE 66 1HD1 ILE 66 1.680 -1.972 1.473 1401 2HD1 ILE 66 2HD1 ILE 66 0.357 -3.113 1.815 1402 3HD1 ILE 66 3HD1 ILE 66 0.237 -1.422 2.359 1403 H PHE 67 H PHE 67 4.964 -0.009 4.814 1404 HA PHE 67 HA PHE 67 4.336 1.601 7.187 1405 1HB PHE 67 1HB PHE 67 6.999 0.777 5.887 1406 2HB PHE 67 2HB PHE 67 6.902 2.013 7.125 1407 HD1 PHE 67 HD1 PHE 67 5.128 0.959 9.118 1408 HD2 PHE 67 HD2 PHE 67 7.993 -1.105 6.764 1409 HE1 PHE 67 HE1 PHE 67 5.317 -0.805 10.894 1410 HE2 PHE 67 HE2 PHE 67 8.182 -2.869 8.540 1411 HZ PHE 67 HZ PHE 67 6.841 -2.697 10.584 1412 H GLU 68 H GLU 68 3.492 3.510 6.488 1413 HA GLU 68 HA GLU 68 4.480 4.526 3.957 1414 1HB GLU 68 1HB GLU 68 1.937 4.772 5.498 1415 2HB GLU 68 2HB GLU 68 2.440 6.222 4.654 1416 1HG GLU 68 1HG GLU 68 1.203 5.138 2.986 1417 2HG GLU 68 2HG GLU 68 2.827 4.603 2.601 1418 H SER 69 H SER 69 5.857 6.262 3.871 1419 HA SER 69 HA SER 69 6.059 7.838 6.317 1420 1HB SER 69 1HB SER 69 8.020 6.263 5.892 1421 2HB SER 69 2HB SER 69 8.365 7.175 4.436 1422 HG SER 69 HG SER 69 8.324 9.117 6.035 1423 H THR 70 H THR 70 5.477 9.945 5.954 1424 HA THR 70 HA THR 70 5.306 10.883 3.218 1425 HB THR 70 HB THR 70 4.515 12.044 5.940 1426 HG1 THR 70 HG1 THR 70 2.401 11.422 4.970 1427 1HG2 THR 70 1HG2 THR 70 3.581 13.883 4.862 1428 2HG2 THR 70 2HG2 THR 70 4.927 13.601 3.732 1429 3HG2 THR 70 3HG2 THR 70 3.302 12.979 3.355 1430 H PHE 71 H PHE 71 6.628 12.288 2.196 1431 HA PHE 71 HA PHE 71 8.711 13.523 3.849 1432 1HB PHE 71 1HB PHE 71 8.884 12.177 1.086 1433 2HB PHE 71 2HB PHE 71 10.215 13.047 1.823 1434 HD1 PHE 71 HD1 PHE 71 8.629 9.895 1.478 1435 HD2 PHE 71 HD2 PHE 71 11.035 12.180 4.123 1436 HE1 PHE 71 HE1 PHE 71 9.373 7.788 2.621 1437 HE2 PHE 71 HE2 PHE 71 11.779 10.073 5.267 1438 HZ PHE 71 HZ PHE 71 10.939 7.903 4.502 1439 H GLU 72 H GLU 72 9.784 15.417 2.709 1440 HA GLU 72 HA GLU 72 7.814 17.169 1.862 1441 1HB GLU 72 1HB GLU 72 10.427 17.375 2.744 1442 2HB GLU 72 2HB GLU 72 10.597 17.828 1.060 1443 1HG GLU 72 1HG GLU 72 9.638 19.851 1.435 1444 2HG GLU 72 2HG GLU 72 8.226 19.108 2.161 1445 H SER 73 H SER 73 10.517 15.591 0.008 1446 HA SER 73 HA SER 73 8.789 15.502 -2.275 1447 1HB SER 73 1HB SER 73 11.354 17.140 -2.241 1448 2HB SER 73 2HB SER 73 10.644 16.551 -3.731 1449 HG SER 73 HG SER 73 8.582 17.652 -2.630 1450 H LYS 74 H LYS 74 9.974 14.280 -4.144 1451 HA LYS 74 HA LYS 74 10.895 11.871 -3.212 1452 1HB LYS 74 1HB LYS 74 11.470 11.387 -5.507 1453 2HB LYS 74 2HB LYS 74 9.964 12.281 -5.456 1454 1HG LYS 74 1HG LYS 74 11.674 14.381 -5.671 1455 2HG LYS 74 2HG LYS 74 12.665 13.158 -6.441 1456 1HD LYS 74 1HD LYS 74 9.755 13.502 -7.243 1457 2HD LYS 74 2HD LYS 74 10.986 14.555 -7.911 1458 1HE LYS 74 1HE LYS 74 11.838 12.910 -9.261 1459 2HE LYS 74 2HE LYS 74 11.761 11.699 -7.997 1460 1HZ LYS 74 1HZ LYS 74 9.789 11.018 -8.714 1461 2HZ LYS 74 2HZ LYS 74 9.200 12.523 -8.946 1462 3HZ LYS 74 3HZ LYS 74 10.120 11.820 -10.098 1463 H GLU 75 H GLU 75 12.613 14.922 -3.719 1464 HA GLU 75 HA GLU 75 15.173 13.849 -3.854 1465 1HB GLU 75 1HB GLU 75 14.415 16.561 -2.692 1466 2HB GLU 75 2HB GLU 75 15.940 16.118 -3.434 1467 1HG GLU 75 1HG GLU 75 14.522 15.569 -5.565 1468 2HG GLU 75 2HG GLU 75 13.236 16.465 -4.782 1469 H ALA 76 H ALA 76 13.098 14.901 -1.099 1470 HA ALA 76 HA ALA 76 15.114 14.533 0.854 1471 1HB ALA 76 1HB ALA 76 12.229 14.293 1.578 1472 2HB ALA 76 2HB ALA 76 13.508 15.302 2.294 1473 3HB ALA 76 3HB ALA 76 12.726 15.802 0.776 1474 H VAL 77 H VAL 77 12.719 12.448 -0.757 1475 HA VAL 77 HA VAL 77 12.652 10.367 1.067 1476 HB VAL 77 HB VAL 77 12.434 10.416 -1.947 1477 1HG1 VAL 77 1HG1 VAL 77 12.710 8.169 -1.728 1478 2HG1 VAL 77 2HG1 VAL 77 12.265 8.169 -0.005 1479 3HG1 VAL 77 3HG1 VAL 77 10.996 8.243 -1.252 1480 1HG2 VAL 77 1HG2 VAL 77 9.974 10.220 -1.409 1481 2HG2 VAL 77 2HG2 VAL 77 10.393 10.538 0.291 1482 3HG2 VAL 77 3HG2 VAL 77 10.730 11.765 -0.953 1483 H ALA 78 H ALA 78 15.166 11.427 -1.187 1484 HA ALA 78 HA ALA 78 16.590 8.956 -1.139 1485 1HB ALA 78 1HB ALA 78 16.590 10.914 -2.882 1486 2HB ALA 78 2HB ALA 78 17.791 11.649 -1.792 1487 3HB ALA 78 3HB ALA 78 18.113 10.062 -2.531 1488 H GLU 79 H GLU 79 16.666 12.071 0.662 1489 HA GLU 79 HA GLU 79 19.032 11.705 1.970 1490 1HB GLU 79 1HB GLU 79 16.578 13.304 2.348 1491 2HB GLU 79 2HB GLU 79 17.402 12.962 3.856 1492 1HG GLU 79 1HG GLU 79 18.675 14.785 3.298 1493 2HG GLU 79 2HG GLU 79 19.554 13.639 2.305 1494 H TYR 80 H TYR 80 15.742 10.459 2.758 1495 HA TYR 80 HA TYR 80 16.586 9.287 5.220 1496 1HB TYR 80 1HB TYR 80 14.242 10.069 4.569 1497 2HB TYR 80 2HB TYR 80 14.202 8.847 3.314 1498 HD1 TYR 80 HD1 TYR 80 14.566 9.213 7.022 1499 HD2 TYR 80 HD2 TYR 80 13.310 6.731 3.772 1500 HE1 TYR 80 HE1 TYR 80 13.580 7.545 8.668 1501 HE2 TYR 80 HE2 TYR 80 12.328 5.071 5.428 1502 HH TYR 80 HH TYR 80 11.745 4.755 7.524 1503 H ILE 81 H ILE 81 16.167 8.196 1.821 1504 HA ILE 81 HA ILE 81 16.433 5.454 2.389 1505 HB ILE 81 HB ILE 81 16.650 7.169 -0.058 1506 1HG1 ILE 81 1HG1 ILE 81 14.796 4.861 0.577 1507 2HG1 ILE 81 2HG1 ILE 81 14.443 6.521 1.013 1508 1HG2 ILE 81 1HG2 ILE 81 16.724 4.779 -1.210 1509 2HG2 ILE 81 2HG2 ILE 81 18.206 5.670 -0.787 1510 3HG2 ILE 81 3HG2 ILE 81 17.619 4.366 0.272 1511 1HD1 ILE 81 1HD1 ILE 81 14.982 7.020 -1.538 1512 2HD1 ILE 81 2HD1 ILE 81 14.647 5.283 -1.735 1513 3HD1 ILE 81 3HD1 ILE 81 13.394 6.361 -1.075 1514 H ALA 82 H ALA 82 18.665 8.102 2.438 1515 HA ALA 82 HA ALA 82 20.910 6.218 2.243 1516 1HB ALA 82 1HB ALA 82 21.864 7.778 0.942 1517 2HB ALA 82 2HB ALA 82 20.413 8.797 1.100 1518 3HB ALA 82 3HB ALA 82 21.747 8.962 2.266 1519 H HIS 83 H HIS 83 19.190 6.322 4.570 1520 HA HIS 83 HA HIS 83 20.904 7.751 6.460 1521 1HB HIS 83 1HB HIS 83 18.200 7.878 6.184 1522 2HB HIS 83 2HB HIS 83 18.330 6.599 7.375 1523 HD1 HIS 83 HD1 HIS 83 19.154 7.229 9.751 1524 HD2 HIS 83 HD2 HIS 83 19.088 10.447 7.061 1525 HE1 HIS 83 HE1 HIS 83 19.473 9.338 11.151 1526 HE2 HIS 83 HE2 HIS 83 19.478 11.277 9.438 1527 HA PRO 84 HA PRO 84 22.358 3.876 7.759 1528 1HB PRO 84 1HB PRO 84 23.691 4.643 10.018 1529 2HB PRO 84 2HB PRO 84 24.373 4.780 8.409 1530 1HG PRO 84 1HG PRO 84 23.288 6.909 10.150 1531 2HG PRO 84 2HG PRO 84 24.340 7.060 8.756 1532 1HD PRO 84 1HD PRO 84 21.526 7.609 8.850 1533 2HD PRO 84 2HD PRO 84 22.554 7.647 7.432 1534 H ALA 85 H ALA 85 20.680 5.903 10.064 1535 HA ALA 85 HA ALA 85 20.192 3.913 11.946 1536 1HB ALA 85 1HB ALA 85 18.239 6.132 11.320 1537 2HB ALA 85 2HB ALA 85 18.726 5.475 12.900 1538 3HB ALA 85 3HB ALA 85 19.848 6.506 11.981 1539 H HIS 86 H HIS 86 18.373 4.934 8.995 1540 HA HIS 86 HA HIS 86 16.296 3.060 9.469 1541 1HB HIS 86 1HB HIS 86 15.564 4.854 8.238 1542 2HB HIS 86 2HB HIS 86 17.049 4.986 7.317 1543 HD1 HIS 86 HD1 HIS 86 17.360 3.269 5.289 1544 HD2 HIS 86 HD2 HIS 86 13.563 3.303 7.072 1545 HE1 HIS 86 HE1 HIS 86 15.796 2.074 3.664 1546 HE2 HIS 86 HE2 HIS 86 13.490 2.078 4.839 1547 H VAL 87 H VAL 87 19.374 3.118 7.644 1548 HA VAL 87 HA VAL 87 18.888 0.761 6.185 1549 HB VAL 87 HB VAL 87 21.240 2.460 6.890 1550 1HG1 VAL 87 1HG1 VAL 87 22.181 0.253 7.161 1551 2HG1 VAL 87 2HG1 VAL 87 21.431 -0.302 5.645 1552 3HG1 VAL 87 3HG1 VAL 87 22.726 0.918 5.602 1553 1HG2 VAL 87 1HG2 VAL 87 20.815 1.562 4.120 1554 2HG2 VAL 87 2HG2 VAL 87 19.433 2.441 4.817 1555 3HG2 VAL 87 3HG2 VAL 87 21.042 3.201 4.775 1556 H GLU 88 H GLU 88 20.452 1.456 9.366 1557 HA GLU 88 HA GLU 88 21.348 -1.105 9.824 1558 1HB GLU 88 1HB GLU 88 21.751 1.149 11.112 1559 2HB GLU 88 2HB GLU 88 20.341 0.694 12.047 1560 1HG GLU 88 1HG GLU 88 21.478 -0.919 13.193 1561 2HG GLU 88 2HG GLU 88 22.220 -1.555 11.739 1562 H PHE 89 H PHE 89 18.182 0.466 10.568 1563 HA PHE 89 HA PHE 89 17.143 -1.753 11.958 1564 1HB PHE 89 1HB PHE 89 16.477 0.929 11.272 1565 2HB PHE 89 2HB PHE 89 15.247 -0.018 10.459 1566 HD1 PHE 89 HD1 PHE 89 16.353 1.327 13.587 1567 HD2 PHE 89 HD2 PHE 89 13.858 -1.631 11.846 1568 HE1 PHE 89 HE1 PHE 89 15.075 1.139 15.739 1569 HE2 PHE 89 HE2 PHE 89 12.580 -1.819 13.998 1570 HZ PHE 89 HZ PHE 89 13.204 -0.432 15.919 1571 H ALA 90 H ALA 90 16.928 -0.622 8.530 1572 HA ALA 90 HA ALA 90 15.109 -2.619 7.736 1573 1HB ALA 90 1HB ALA 90 15.195 -0.789 6.306 1574 2HB ALA 90 2HB ALA 90 16.969 -0.668 6.394 1575 3HB ALA 90 3HB ALA 90 16.211 -1.955 5.424 1576 H THR 91 H THR 91 18.643 -2.477 8.144 1577 HA THR 91 HA THR 91 19.218 -4.789 6.614 1578 HB THR 91 HB THR 91 20.676 -3.284 8.847 1579 HG1 THR 91 HG1 THR 91 20.777 -3.496 5.919 1580 1HG2 THR 91 1HG2 THR 91 21.383 -5.746 7.299 1581 2HG2 THR 91 2HG2 THR 91 22.609 -4.457 7.274 1582 3HG2 THR 91 3HG2 THR 91 22.066 -5.138 8.826 1583 H ILE 92 H ILE 92 18.475 -4.237 10.094 1584 HA ILE 92 HA ILE 92 18.942 -6.937 10.794 1585 HB ILE 92 HB ILE 92 17.573 -4.609 12.115 1586 1HG1 ILE 92 1HG1 ILE 92 20.020 -6.105 13.046 1587 2HG1 ILE 92 2HG1 ILE 92 20.138 -4.856 11.823 1588 1HG2 ILE 92 1HG2 ILE 92 16.344 -6.119 13.244 1589 2HG2 ILE 92 2HG2 ILE 92 17.413 -7.476 12.818 1590 3HG2 ILE 92 3HG2 ILE 92 17.856 -6.378 14.147 1591 1HD1 ILE 92 1HD1 ILE 92 20.483 -4.053 14.215 1592 2HD1 ILE 92 2HD1 ILE 92 19.225 -3.177 13.312 1593 3HD1 ILE 92 3HD1 ILE 92 18.765 -4.412 14.509 1594 H PHE 93 H PHE 93 16.179 -5.093 9.514 1595 HA PHE 93 HA PHE 93 14.262 -7.093 10.116 1596 1HB PHE 93 1HB PHE 93 14.561 -4.501 8.651 1597 2HB PHE 93 2HB PHE 93 13.374 -5.561 7.918 1598 HD1 PHE 93 HD1 PHE 93 11.199 -5.286 8.604 1599 HD2 PHE 93 HD2 PHE 93 14.312 -4.404 11.350 1600 HE1 PHE 93 HE1 PHE 93 9.498 -4.553 10.298 1601 HE2 PHE 93 HE2 PHE 93 12.611 -3.671 13.044 1602 HZ PHE 93 HZ PHE 93 10.224 -3.755 12.498 1603 H LEU 94 H LEU 94 16.077 -6.132 7.124 1604 HA LEU 94 HA LEU 94 14.905 -7.972 5.426 1605 1HB LEU 94 1HB LEU 94 16.343 -7.175 3.923 1606 2HB LEU 94 2HB LEU 94 16.664 -5.973 5.157 1607 HG LEU 94 HG LEU 94 18.535 -7.641 5.929 1608 1HD1 LEU 94 1HD1 LEU 94 18.770 -9.490 4.726 1609 2HD1 LEU 94 2HD1 LEU 94 17.542 -8.945 3.558 1610 3HD1 LEU 94 3HD1 LEU 94 19.247 -8.481 3.339 1611 1HD2 LEU 94 1HD2 LEU 94 19.191 -6.284 3.346 1612 2HD2 LEU 94 2HD2 LEU 94 18.608 -5.301 4.711 1613 3HD2 LEU 94 3HD2 LEU 94 20.072 -6.298 4.893 1614 H GLY 95 H GLY 95 17.233 -8.387 8.036 1615 1HA GLY 95 1HA GLY 95 18.449 -10.775 7.243 1616 2HA GLY 95 2HA GLY 95 18.230 -10.211 8.888 1617 H SER 96 H SER 96 15.399 -10.134 9.101 1618 HA SER 96 HA SER 96 14.761 -12.946 8.655 1619 1HB SER 96 1HB SER 96 15.103 -11.734 11.119 1620 2HB SER 96 2HB SER 96 13.372 -11.577 10.896 1621 HG SER 96 HG SER 96 13.994 -14.085 10.146 1622 H LEU 97 H LEU 97 14.100 -11.400 6.583 1623 HA LEU 97 HA LEU 97 11.281 -10.707 7.044 1624 1HB LEU 97 1HB LEU 97 13.470 -9.254 5.718 1625 2HB LEU 97 2HB LEU 97 11.985 -9.333 4.792 1626 HG LEU 97 HG LEU 97 12.183 -8.316 7.640 1627 1HD1 LEU 97 1HD1 LEU 97 11.839 -6.070 6.619 1628 2HD1 LEU 97 2HD1 LEU 97 13.403 -6.817 6.213 1629 3HD1 LEU 97 3HD1 LEU 97 12.085 -6.805 5.017 1630 1HD2 LEU 97 1HD2 LEU 97 9.891 -7.276 6.713 1631 2HD2 LEU 97 2HD2 LEU 97 9.921 -8.787 5.774 1632 3HD2 LEU 97 3HD2 LEU 97 9.984 -8.843 7.552 1633 H ASP 98 H ASP 98 9.781 -11.765 5.819 1634 HA ASP 98 HA ASP 98 10.581 -14.016 4.429 1635 1HB ASP 98 1HB ASP 98 8.346 -14.454 4.449 1636 2HB ASP 98 2HB ASP 98 8.199 -12.985 5.393 1637 H LYS 99 H LYS 99 9.282 -10.794 3.336 1638 HA LYS 99 HA LYS 99 10.860 -10.946 0.944 1639 1HB LYS 99 1HB LYS 99 7.841 -11.129 0.804 1640 2HB LYS 99 2HB LYS 99 8.835 -10.605 -0.541 1641 1HG LYS 99 1HG LYS 99 10.168 -12.796 -0.247 1642 2HG LYS 99 2HG LYS 99 8.914 -13.311 0.864 1643 1HD LYS 99 1HD LYS 99 8.396 -12.442 -2.019 1644 2HD LYS 99 2HD LYS 99 8.566 -14.111 -1.512 1645 1HE LYS 99 1HE LYS 99 6.620 -12.627 0.146 1646 2HE LYS 99 2HE LYS 99 6.180 -12.635 -1.550 1647 1HZ LYS 99 1HZ LYS 99 7.002 -15.174 -1.014 1648 2HZ LYS 99 2HZ LYS 99 6.119 -14.757 0.296 1649 3HZ LYS 99 3HZ LYS 99 5.459 -14.671 -1.195 1650 H VAL 100 H VAL 100 10.939 -8.866 -0.172 1651 HA VAL 100 HA VAL 100 9.680 -6.687 1.312 1652 HB VAL 100 HB VAL 100 12.504 -6.326 0.466 1653 1HG1 VAL 100 1HG1 VAL 100 10.679 -5.308 2.638 1654 2HG1 VAL 100 2HG1 VAL 100 12.444 -5.118 2.769 1655 3HG1 VAL 100 3HG1 VAL 100 11.571 -4.401 1.393 1656 1HG2 VAL 100 1HG2 VAL 100 13.178 -7.194 2.809 1657 2HG2 VAL 100 2HG2 VAL 100 11.650 -8.104 2.750 1658 3HG2 VAL 100 3HG2 VAL 100 12.899 -8.383 1.514 1659 H LEU 101 H LEU 101 8.684 -5.298 -0.061 1660 HA LEU 101 HA LEU 101 9.744 -5.141 -2.787 1661 1HB LEU 101 1HB LEU 101 6.979 -5.854 -1.904 1662 2HB LEU 101 2HB LEU 101 7.187 -4.914 -3.368 1663 HG LEU 101 HG LEU 101 7.051 -7.119 -4.112 1664 1HD1 LEU 101 1HD1 LEU 101 9.156 -5.722 -4.807 1665 2HD1 LEU 101 2HD1 LEU 101 10.041 -6.990 -3.925 1666 3HD1 LEU 101 3HD1 LEU 101 8.998 -7.425 -5.300 1667 1HD2 LEU 101 1HD2 LEU 101 7.346 -8.082 -1.785 1668 2HD2 LEU 101 2HD2 LEU 101 8.017 -9.037 -3.128 1669 3HD2 LEU 101 3HD2 LEU 101 9.097 -8.065 -2.100 1670 H VAL 102 H VAL 102 10.141 -3.078 -3.391 1671 HA VAL 102 HA VAL 102 9.042 -0.989 -1.668 1672 HB VAL 102 HB VAL 102 11.376 -0.898 -1.732 1673 1HG1 VAL 102 1HG1 VAL 102 12.031 -2.357 -3.443 1674 2HG1 VAL 102 2HG1 VAL 102 11.103 -1.478 -4.682 1675 3HG1 VAL 102 3HG1 VAL 102 12.592 -0.767 -4.013 1676 1HG2 VAL 102 1HG2 VAL 102 10.784 1.056 -3.945 1677 2HG2 VAL 102 2HG2 VAL 102 10.021 1.250 -2.348 1678 3HG2 VAL 102 3HG2 VAL 102 11.795 1.257 -2.494 1679 H ILE 103 H ILE 103 7.307 0.139 -2.364 1680 HA ILE 103 HA ILE 103 7.088 0.634 -5.229 1681 HB ILE 103 HB ILE 103 4.695 -0.273 -3.657 1682 1HG1 ILE 103 1HG1 ILE 103 6.416 -2.061 -3.555 1683 2HG1 ILE 103 2HG1 ILE 103 4.976 -2.522 -4.440 1684 1HG2 ILE 103 1HG2 ILE 103 4.497 -0.963 -6.364 1685 2HG2 ILE 103 2HG2 ILE 103 3.664 0.363 -5.517 1686 3HG2 ILE 103 3HG2 ILE 103 5.211 0.668 -6.344 1687 1HD1 ILE 103 1HD1 ILE 103 7.036 -1.265 -6.156 1688 2HD1 ILE 103 2HD1 ILE 103 7.572 -2.774 -5.380 1689 3HD1 ILE 103 3HD1 ILE 103 6.114 -2.768 -6.402 1690 H ASP 104 H ASP 104 5.806 2.535 -5.736 1691 HA ASP 104 HA ASP 104 5.523 4.237 -3.385 1692 1HB ASP 104 1HB ASP 104 7.308 4.790 -5.200 1693 2HB ASP 104 2HB ASP 104 5.958 5.193 -6.243 1694 H TYR 105 H TYR 105 3.477 5.235 -3.126 1695 HA TYR 105 HA TYR 105 1.554 4.776 -5.307 1696 1HB TYR 105 1HB TYR 105 0.980 3.462 -3.328 1697 2HB TYR 105 2HB TYR 105 1.481 4.745 -2.244 1698 HD1 TYR 105 HD1 TYR 105 -0.543 4.837 -0.956 1699 HD2 TYR 105 HD2 TYR 105 -0.675 5.306 -5.206 1700 HE1 TYR 105 HE1 TYR 105 -2.950 5.641 -0.800 1701 HE2 TYR 105 HE2 TYR 105 -3.082 6.108 -5.036 1702 HH TYR 105 HH TYR 105 -5.016 5.561 -2.936 1703 H LYS 106 H LYS 106 1.046 6.633 -6.350 1704 HA LYS 106 HA LYS 106 0.941 9.069 -4.708 1705 1HB LYS 106 1HB LYS 106 1.976 8.622 -7.506 1706 2HB LYS 106 2HB LYS 106 1.431 10.203 -6.985 1707 1HG LYS 106 1HG LYS 106 3.192 10.484 -5.499 1708 2HG LYS 106 2HG LYS 106 3.283 8.778 -5.108 1709 1HD LYS 106 1HD LYS 106 5.253 9.118 -6.360 1710 2HD LYS 106 2HD LYS 106 4.154 8.461 -7.556 1711 1HE LYS 106 1HE LYS 106 3.547 10.896 -8.160 1712 2HE LYS 106 2HE LYS 106 4.888 11.394 -7.147 1713 1HZ LYS 106 1HZ LYS 106 6.337 10.732 -8.672 1714 2HZ LYS 106 2HZ LYS 106 5.562 9.332 -8.999 1715 3HZ LYS 106 3HZ LYS 106 5.086 10.717 -9.721 1716 HA PRO 107 HA PRO 107 -3.161 9.423 -5.998 1717 1HB PRO 107 1HB PRO 107 -3.583 12.118 -5.838 1718 2HB PRO 107 2HB PRO 107 -3.595 11.062 -4.440 1719 1HG PRO 107 1HG PRO 107 -1.507 12.967 -5.305 1720 2HG PRO 107 2HG PRO 107 -1.739 12.233 -3.730 1721 1HD PRO 107 1HD PRO 107 0.217 11.499 -5.695 1722 2HD PRO 107 2HD PRO 107 -0.091 10.691 -4.171 1723 H THR 108 H THR 108 -2.921 8.530 -8.094 1724 HA THR 108 HA THR 108 -3.010 10.673 -10.116 1725 HB THR 108 HB THR 108 -1.481 8.070 -9.947 1726 HG1 THR 108 HG1 THR 108 0.081 9.575 -10.713 1727 1HG2 THR 108 1HG2 THR 108 -2.997 9.013 -12.321 1728 2HG2 THR 108 2HG2 THR 108 -1.244 8.886 -12.607 1729 3HG2 THR 108 3HG2 THR 108 -2.162 7.462 -12.060 1730 H SER 109 H SER 109 -5.361 10.651 -9.538 1731 HA SER 109 HA SER 109 -6.773 8.292 -10.262 1732 1HB SER 109 1HB SER 109 -8.796 9.852 -9.950 1733 2HB SER 109 2HB SER 109 -7.786 9.584 -8.543 1734 HG SER 109 HG SER 109 -6.941 11.748 -10.108 1735 H VAL 110 H VAL 110 -8.515 8.316 -11.994 1736 HA VAL 110 HA VAL 110 -7.497 9.766 -14.324 1737 HB VAL 110 HB VAL 110 -9.153 7.265 -13.987 1738 1HG1 VAL 110 1HG1 VAL 110 -10.167 8.077 -15.886 1739 2HG1 VAL 110 2HG1 VAL 110 -8.735 9.007 -16.390 1740 3HG1 VAL 110 3HG1 VAL 110 -8.771 7.240 -16.607 1741 1HG2 VAL 110 1HG2 VAL 110 -7.186 6.369 -15.409 1742 2HG2 VAL 110 2HG2 VAL 110 -6.345 7.860 -14.921 1743 3HG2 VAL 110 3HG2 VAL 110 -6.900 6.705 -13.685 1744 H SER 111 H SER 111 -8.845 11.097 -15.573 1745 HA SER 111 HA SER 111 -10.943 12.277 -14.129 1746 1HB SER 111 1HB SER 111 -9.565 13.597 -15.654 1747 2HB SER 111 2HB SER 111 -10.011 12.586 -17.014 1748 HG SER 111 HG SER 111 -12.190 13.721 -15.627 1749 H LEU 112 H LEU 112 -13.224 12.199 -14.509 1750 HA LEU 112 HA LEU 112 -14.058 10.053 -16.335 1751 1HB LEU 112 1HB LEU 112 -15.895 9.607 -14.735 1752 2HB LEU 112 2HB LEU 112 -14.294 9.201 -14.149 1753 HG LEU 112 HG LEU 112 -14.498 11.684 -13.120 1754 1HD1 LEU 112 1HD1 LEU 112 -17.155 11.090 -14.020 1755 2HD1 LEU 112 2HD1 LEU 112 -17.138 11.164 -12.241 1756 3HD1 LEU 112 3HD1 LEU 112 -16.540 12.543 -13.196 1757 1HD2 LEU 112 1HD2 LEU 112 -15.695 9.224 -11.817 1758 2HD2 LEU 112 2HD2 LEU 112 -13.954 9.574 -11.937 1759 3HD2 LEU 112 3HD2 LEU 112 -15.017 10.653 -11.001 Start of MODEL 16 1 1H GLY 1 1H GLY 1 -20.735 24.326 20.604 2 1HA GLY 1 1HA GLY 1 -19.917 22.243 19.995 3 2HA GLY 1 2HA GLY 1 -21.384 21.906 19.097 4 H SER 2 H SER 2 -19.064 21.309 17.810 5 HA SER 2 HA SER 2 -19.098 23.281 15.714 6 1HB SER 2 1HB SER 2 -16.789 22.803 17.510 7 2HB SER 2 2HB SER 2 -16.385 22.689 15.809 8 HG SER 2 HG SER 2 -17.838 24.843 15.839 9 H HIS 3 H HIS 3 -17.087 20.414 16.728 10 HA HIS 3 HA HIS 3 -18.362 18.714 14.866 11 1HB HIS 3 1HB HIS 3 -16.710 18.445 13.217 12 2HB HIS 3 2HB HIS 3 -16.950 20.175 13.365 13 HD1 HIS 3 HD1 HIS 3 -14.581 17.573 14.921 14 HD2 HIS 3 HD2 HIS 3 -14.583 21.512 13.478 15 HE1 HIS 3 HE1 HIS 3 -12.177 18.405 15.112 16 HE2 HIS 3 HE2 HIS 3 -12.230 20.811 14.161 17 H MET 4 H MET 4 -17.812 16.522 15.254 18 HA MET 4 HA MET 4 -16.054 16.223 17.559 19 1HB MET 4 1HB MET 4 -18.548 14.804 16.564 20 2HB MET 4 2HB MET 4 -17.421 13.895 17.550 21 1HG MET 4 1HG MET 4 -17.894 15.108 19.466 22 2HG MET 4 2HG MET 4 -18.113 16.612 18.594 23 1HE MET 4 1HE MET 4 -20.028 13.808 20.466 24 2HE MET 4 2HE MET 4 -19.705 15.486 20.963 25 3HE MET 4 3HE MET 4 -21.372 14.965 20.618 26 H GLU 5 H GLU 5 -14.846 14.072 17.680 27 HA GLU 5 HA GLU 5 -13.423 13.755 15.281 28 1HB GLU 5 1HB GLU 5 -12.318 11.841 16.618 29 2HB GLU 5 2HB GLU 5 -12.172 13.460 17.273 30 1HG GLU 5 1HG GLU 5 -14.637 12.232 18.234 31 2HG GLU 5 2HG GLU 5 -13.284 11.164 18.551 32 H GLU 6 H GLU 6 -14.275 12.729 13.518 33 HA GLU 6 HA GLU 6 -15.951 10.412 14.063 34 1HB GLU 6 1HB GLU 6 -15.940 12.528 11.953 35 2HB GLU 6 2HB GLU 6 -16.346 10.914 11.404 36 1HG GLU 6 1HG GLU 6 -17.865 11.043 13.692 37 2HG GLU 6 2HG GLU 6 -17.855 12.734 13.235 38 H ALA 7 H ALA 7 -14.960 8.459 13.836 39 HA ALA 7 HA ALA 7 -12.528 8.331 12.257 40 1HB ALA 7 1HB ALA 7 -13.821 6.792 14.450 41 2HB ALA 7 2HB ALA 7 -12.893 5.831 13.273 42 3HB ALA 7 3HB ALA 7 -12.102 7.153 14.164 43 H LYS 8 H LYS 8 -14.210 8.886 10.373 44 HA LYS 8 HA LYS 8 -15.069 6.291 9.295 45 1HB LYS 8 1HB LYS 8 -16.399 9.001 9.037 46 2HB LYS 8 2HB LYS 8 -16.819 7.613 8.054 47 1HG LYS 8 1HG LYS 8 -16.715 6.952 10.930 48 2HG LYS 8 2HG LYS 8 -17.867 8.227 10.586 49 1HD LYS 8 1HD LYS 8 -18.697 6.678 8.641 50 2HD LYS 8 2HD LYS 8 -17.799 5.408 9.448 51 1HE LYS 8 1HE LYS 8 -19.280 5.289 11.216 52 2HE LYS 8 2HE LYS 8 -19.555 7.019 11.244 53 1HZ LYS 8 1HZ LYS 8 -21.366 5.407 10.394 54 2HZ LYS 8 2HZ LYS 8 -21.162 6.857 9.670 55 3HZ LYS 8 3HZ LYS 8 -20.558 5.507 8.978 56 H GLY 9 H GLY 9 -12.471 6.826 8.930 57 1HA GLY 9 1HA GLY 9 -11.404 6.541 6.776 58 2HA GLY 9 2HA GLY 9 -12.367 7.872 6.164 59 HA PRO 10 HA PRO 10 -10.876 8.177 4.889 60 1HB PRO 10 1HB PRO 10 -8.460 8.470 3.647 61 2HB PRO 10 2HB PRO 10 -9.653 9.751 3.737 62 1HG PRO 10 1HG PRO 10 -7.133 9.455 5.255 63 2HG PRO 10 2HG PRO 10 -8.107 10.892 5.013 64 1HD PRO 10 1HD PRO 10 -7.983 9.282 7.383 65 2HD PRO 10 2HD PRO 10 -9.041 10.649 7.099 66 H VAL 11 H VAL 11 -10.415 6.360 3.441 67 HA VAL 11 HA VAL 11 -8.678 4.418 4.771 68 HB VAL 11 HB VAL 11 -11.604 4.247 4.267 69 1HG1 VAL 11 1HG1 VAL 11 -11.100 2.525 2.784 70 2HG1 VAL 11 2HG1 VAL 11 -9.654 2.024 3.693 71 3HG1 VAL 11 3HG1 VAL 11 -11.276 1.662 4.331 72 1HG2 VAL 11 1HG2 VAL 11 -11.250 2.616 6.283 73 2HG2 VAL 11 2HG2 VAL 11 -9.645 3.381 6.380 74 3HG2 VAL 11 3HG2 VAL 11 -11.114 4.374 6.533 75 H LYS 12 H LYS 12 -7.470 3.176 3.356 76 HA LYS 12 HA LYS 12 -8.155 3.429 0.519 77 1HB LYS 12 1HB LYS 12 -5.380 3.795 1.688 78 2HB LYS 12 2HB LYS 12 -5.782 3.771 -0.017 79 1HG LYS 12 1HG LYS 12 -5.754 6.078 0.446 80 2HG LYS 12 2HG LYS 12 -7.462 5.704 0.564 81 1HD LYS 12 1HD LYS 12 -7.498 6.392 2.722 82 2HD LYS 12 2HD LYS 12 -6.283 5.204 3.148 83 1HE LYS 12 1HE LYS 12 -4.697 7.070 1.909 84 2HE LYS 12 2HE LYS 12 -5.959 8.115 2.532 85 1HZ LYS 12 1HZ LYS 12 -5.589 6.858 4.686 86 2HZ LYS 12 2HZ LYS 12 -4.184 6.346 4.030 87 3HZ LYS 12 3HZ LYS 12 -4.452 7.943 4.244 88 H HIS 13 H HIS 13 -8.072 1.524 -0.601 89 HA HIS 13 HA HIS 13 -7.158 -0.773 0.953 90 1HB HIS 13 1HB HIS 13 -9.566 -0.537 0.063 91 2HB HIS 13 2HB HIS 13 -8.886 -0.862 -1.520 92 HD1 HIS 13 HD1 HIS 13 -9.198 -2.495 1.917 93 HD2 HIS 13 HD2 HIS 13 -8.454 -3.531 -2.079 94 HE1 HIS 13 HE1 HIS 13 -9.200 -5.046 1.827 95 HE2 HIS 13 HE2 HIS 13 -8.793 -5.622 -0.662 96 H VAL 14 H VAL 14 -5.612 -2.213 0.135 97 HA VAL 14 HA VAL 14 -4.247 -1.233 -2.273 98 HB VAL 14 HB VAL 14 -3.194 -2.860 0.050 99 1HG1 VAL 14 1HG1 VAL 14 -2.069 -2.085 -2.586 100 2HG1 VAL 14 2HG1 VAL 14 -0.997 -1.862 -1.182 101 3HG1 VAL 14 3HG1 VAL 14 -1.685 -3.467 -1.531 102 1HG2 VAL 14 1HG2 VAL 14 -2.798 0.072 -0.639 103 2HG2 VAL 14 2HG2 VAL 14 -3.716 -0.578 0.741 104 3HG2 VAL 14 3HG2 VAL 14 -1.954 -0.812 0.655 105 H LEU 15 H LEU 15 -4.609 -2.418 -4.069 106 HA LEU 15 HA LEU 15 -4.929 -5.309 -3.699 107 1HB LEU 15 1HB LEU 15 -7.014 -3.661 -4.289 108 2HB LEU 15 2HB LEU 15 -6.455 -4.075 -5.898 109 HG LEU 15 HG LEU 15 -8.155 -5.622 -5.354 110 1HD1 LEU 15 1HD1 LEU 15 -5.532 -6.457 -5.896 111 2HD1 LEU 15 2HD1 LEU 15 -6.155 -7.595 -4.677 112 3HD1 LEU 15 3HD1 LEU 15 -7.043 -7.347 -6.200 113 1HD2 LEU 15 1HD2 LEU 15 -7.991 -7.083 -3.292 114 2HD2 LEU 15 2HD2 LEU 15 -6.748 -5.956 -2.699 115 3HD2 LEU 15 3HD2 LEU 15 -8.401 -5.374 -3.014 116 H LEU 16 H LEU 16 -3.547 -6.494 -4.919 117 HA LEU 16 HA LEU 16 -2.309 -5.105 -7.194 118 1HB LEU 16 1HB LEU 16 -0.211 -5.973 -6.662 119 2HB LEU 16 2HB LEU 16 -0.848 -5.316 -5.168 120 HG LEU 16 HG LEU 16 -1.504 -8.139 -5.429 121 1HD1 LEU 16 1HD1 LEU 16 1.410 -7.877 -5.002 122 2HD1 LEU 16 2HD1 LEU 16 0.468 -9.161 -5.797 123 3HD1 LEU 16 3HD1 LEU 16 0.851 -7.662 -6.678 124 1HD2 LEU 16 1HD2 LEU 16 -1.659 -7.539 -3.267 125 2HD2 LEU 16 2HD2 LEU 16 0.078 -7.925 -3.235 126 3HD2 LEU 16 3HD2 LEU 16 -0.456 -6.237 -3.426 127 H ALA 17 H ALA 17 -2.079 -6.287 -9.102 128 HA ALA 17 HA ALA 17 -2.735 -9.103 -9.058 129 1HB ALA 17 1HB ALA 17 -4.959 -8.197 -9.198 130 2HB ALA 17 2HB ALA 17 -4.461 -7.002 -10.419 131 3HB ALA 17 3HB ALA 17 -4.510 -8.732 -10.835 132 H SER 18 H SER 18 -1.834 -10.203 -10.833 133 HA SER 18 HA SER 18 -0.328 -8.459 -12.624 134 1HB SER 18 1HB SER 18 0.614 -11.264 -12.214 135 2HB SER 18 2HB SER 18 1.544 -9.794 -12.427 136 HG SER 18 HG SER 18 1.331 -10.994 -10.180 137 H PHE 19 H PHE 19 -0.387 -8.955 -14.864 138 HA PHE 19 HA PHE 19 -2.530 -10.759 -15.601 139 1HB PHE 19 1HB PHE 19 -0.711 -8.761 -17.072 140 2HB PHE 19 2HB PHE 19 -1.973 -9.664 -17.886 141 HD1 PHE 19 HD1 PHE 19 -1.463 -7.296 -15.056 142 HD2 PHE 19 HD2 PHE 19 -4.117 -8.777 -18.017 143 HE1 PHE 19 HE1 PHE 19 -3.123 -5.511 -14.460 144 HE2 PHE 19 HE2 PHE 19 -5.778 -6.991 -17.421 145 HZ PHE 19 HZ PHE 19 -5.261 -5.379 -15.650 146 H LYS 20 H LYS 20 -2.097 -12.864 -16.042 147 HA LYS 20 HA LYS 20 0.425 -13.932 -16.240 148 1HB LYS 20 1HB LYS 20 -0.697 -15.935 -17.103 149 2HB LYS 20 2HB LYS 20 -1.550 -15.250 -15.734 150 1HG LYS 20 1HG LYS 20 -3.085 -14.051 -17.372 151 2HG LYS 20 2HG LYS 20 -2.289 -14.907 -18.678 152 1HD LYS 20 1HD LYS 20 -3.540 -16.381 -16.324 153 2HD LYS 20 2HD LYS 20 -4.476 -15.941 -17.738 154 1HE LYS 20 1HE LYS 20 -1.863 -17.337 -18.243 155 2HE LYS 20 2HE LYS 20 -3.140 -18.302 -17.529 156 1HZ LYS 20 1HZ LYS 20 -2.891 -17.718 -20.143 157 2HZ LYS 20 2HZ LYS 20 -4.242 -18.297 -19.430 158 3HZ LYS 20 3HZ LYS 20 -4.069 -16.691 -19.671 159 H ASP 21 H ASP 21 1.493 -14.981 -18.149 160 HA ASP 21 HA ASP 21 1.654 -13.033 -20.212 161 1HB ASP 21 1HB ASP 21 3.146 -15.468 -19.344 162 2HB ASP 21 2HB ASP 21 3.194 -15.163 -21.069 163 H GLY 22 H GLY 22 0.179 -13.087 -21.917 164 1HA GLY 22 1HA GLY 22 -0.134 -14.909 -23.816 165 2HA GLY 22 2HA GLY 22 -1.162 -15.592 -22.572 166 H VAL 23 H VAL 23 -1.689 -12.714 -21.520 167 HA VAL 23 HA VAL 23 -3.963 -12.273 -23.236 168 HB VAL 23 HB VAL 23 -3.958 -12.253 -20.708 169 1HG1 VAL 23 1HG1 VAL 23 -2.916 -9.428 -20.960 170 2HG1 VAL 23 2HG1 VAL 23 -3.140 -10.412 -19.494 171 3HG1 VAL 23 3HG1 VAL 23 -1.833 -10.802 -20.637 172 1HG2 VAL 23 1HG2 VAL 23 -5.314 -9.923 -20.776 173 2HG2 VAL 23 2HG2 VAL 23 -5.190 -10.244 -22.522 174 3HG2 VAL 23 3HG2 VAL 23 -5.949 -11.444 -21.449 175 H SER 24 H SER 24 -4.279 -10.550 -24.634 176 HA SER 24 HA SER 24 -1.954 -9.335 -25.603 177 1HB SER 24 1HB SER 24 -4.877 -9.270 -26.207 178 2HB SER 24 2HB SER 24 -3.981 -7.849 -26.705 179 HG SER 24 HG SER 24 -4.161 -9.833 -28.216 180 HA PRO 25 HA PRO 25 -1.906 -5.641 -23.303 181 1HB PRO 25 1HB PRO 25 -0.901 -3.813 -25.069 182 2HB PRO 25 2HB PRO 25 0.099 -4.974 -24.219 183 1HG PRO 25 1HG PRO 25 -0.756 -4.986 -27.048 184 2HG PRO 25 2HG PRO 25 0.555 -5.870 -26.294 185 1HD PRO 25 1HD PRO 25 -2.000 -6.919 -27.068 186 2HD PRO 25 2HD PRO 25 -0.732 -7.773 -26.210 187 H GLU 26 H GLU 26 -3.521 -5.404 -26.384 188 HA GLU 26 HA GLU 26 -4.758 -2.999 -25.947 189 1HB GLU 26 1HB GLU 26 -4.954 -5.204 -27.801 190 2HB GLU 26 2HB GLU 26 -6.578 -4.726 -27.348 191 1HG GLU 26 1HG GLU 26 -6.212 -2.441 -28.049 192 2HG GLU 26 2HG GLU 26 -4.480 -2.676 -28.169 193 H LYS 27 H LYS 27 -5.346 -6.173 -24.529 194 HA LYS 27 HA LYS 27 -8.007 -5.573 -23.676 195 1HB LYS 27 1HB LYS 27 -6.681 -7.875 -24.093 196 2HB LYS 27 2HB LYS 27 -6.402 -7.719 -22.371 197 1HG LYS 27 1HG LYS 27 -8.617 -8.059 -21.839 198 2HG LYS 27 2HG LYS 27 -9.200 -7.137 -23.210 199 1HD LYS 27 1HD LYS 27 -8.070 -9.307 -24.491 200 2HD LYS 27 2HD LYS 27 -8.609 -10.052 -22.999 201 1HE LYS 27 1HE LYS 27 -10.905 -9.092 -23.367 202 2HE LYS 27 2HE LYS 27 -10.359 -8.391 -24.877 203 1HZ LYS 27 1HZ LYS 27 -11.360 -10.866 -24.574 204 2HZ LYS 27 2HZ LYS 27 -10.516 -10.345 -25.872 205 3HZ LYS 27 3HZ LYS 27 -9.756 -11.158 -24.676 206 H ILE 28 H ILE 28 -4.702 -5.136 -22.453 207 HA ILE 28 HA ILE 28 -5.372 -4.753 -19.761 208 HB ILE 28 HB ILE 28 -3.070 -3.653 -21.379 209 1HG1 ILE 28 1HG1 ILE 28 -3.242 -6.196 -19.736 210 2HG1 ILE 28 2HG1 ILE 28 -3.327 -6.127 -21.485 211 1HG2 ILE 28 1HG2 ILE 28 -3.640 -3.739 -18.427 212 2HG2 ILE 28 2HG2 ILE 28 -1.968 -3.776 -19.036 213 3HG2 ILE 28 3HG2 ILE 28 -3.027 -2.400 -19.427 214 1HD1 ILE 28 1HD1 ILE 28 -0.979 -5.418 -19.693 215 2HD1 ILE 28 2HD1 ILE 28 -1.041 -6.597 -21.026 216 3HD1 ILE 28 3HD1 ILE 28 -1.062 -4.853 -21.379 217 H GLU 29 H GLU 29 -4.947 -2.420 -22.506 218 HA GLU 29 HA GLU 29 -5.516 -0.179 -20.992 219 1HB GLU 29 1HB GLU 29 -5.951 0.912 -23.205 220 2HB GLU 29 2HB GLU 29 -4.457 -0.004 -23.176 221 1HG GLU 29 1HG GLU 29 -5.350 -1.764 -24.494 222 2HG GLU 29 2HG GLU 29 -7.008 -1.350 -24.106 223 H GLU 30 H GLU 30 -7.597 -2.619 -22.522 224 HA GLU 30 HA GLU 30 -9.933 -1.047 -22.400 225 1HB GLU 30 1HB GLU 30 -9.203 -3.843 -23.104 226 2HB GLU 30 2HB GLU 30 -10.828 -3.657 -22.475 227 1HG GLU 30 1HG GLU 30 -10.233 -1.515 -24.374 228 2HG GLU 30 2HG GLU 30 -9.924 -3.076 -25.109 229 H LEU 31 H LEU 31 -8.281 -3.366 -20.230 230 HA LEU 31 HA LEU 31 -10.436 -3.678 -18.442 231 1HB LEU 31 1HB LEU 31 -7.672 -4.505 -18.695 232 2HB LEU 31 2HB LEU 31 -8.044 -4.060 -17.041 233 HG LEU 31 HG LEU 31 -8.434 -6.375 -17.185 234 1HD1 LEU 31 1HD1 LEU 31 -10.338 -6.282 -16.051 235 2HD1 LEU 31 2HD1 LEU 31 -10.536 -4.603 -16.606 236 3HD1 LEU 31 3HD1 LEU 31 -11.265 -5.937 -17.531 237 1HD2 LEU 31 1HD2 LEU 31 -8.433 -6.860 -19.472 238 2HD2 LEU 31 2HD2 LEU 31 -10.071 -7.301 -18.932 239 3HD2 LEU 31 3HD2 LEU 31 -9.801 -5.772 -19.803 240 H ILE 32 H ILE 32 -7.843 -1.261 -18.841 241 HA ILE 32 HA ILE 32 -8.345 -0.056 -16.299 242 HB ILE 32 HB ILE 32 -6.796 0.900 -18.709 243 1HG1 ILE 32 1HG1 ILE 32 -5.682 -0.295 -16.167 244 2HG1 ILE 32 2HG1 ILE 32 -6.096 -1.284 -17.553 245 1HG2 ILE 32 1HG2 ILE 32 -7.611 2.664 -17.055 246 2HG2 ILE 32 2HG2 ILE 32 -6.518 1.902 -15.876 247 3HG2 ILE 32 3HG2 ILE 32 -5.862 2.596 -17.378 248 1HD1 ILE 32 1HD1 ILE 32 -4.312 -0.541 -18.788 249 2HD1 ILE 32 2HD1 ILE 32 -4.477 1.131 -18.202 250 3HD1 ILE 32 3HD1 ILE 32 -3.653 -0.086 -17.198 251 H LYS 33 H LYS 33 -9.031 0.819 -19.755 252 HA LYS 33 HA LYS 33 -10.458 3.128 -19.164 253 1HB LYS 33 1HB LYS 33 -10.759 3.259 -21.400 254 2HB LYS 33 2HB LYS 33 -9.539 2.002 -21.417 255 1HG LYS 33 1HG LYS 33 -11.538 0.323 -21.244 256 2HG LYS 33 2HG LYS 33 -12.553 1.684 -21.677 257 1HD LYS 33 1HD LYS 33 -10.112 1.145 -23.369 258 2HD LYS 33 2HD LYS 33 -11.487 0.074 -23.547 259 1HE LYS 33 1HE LYS 33 -12.514 2.761 -23.501 260 2HE LYS 33 2HE LYS 33 -11.143 2.754 -24.593 261 1HZ LYS 33 1HZ LYS 33 -13.680 1.548 -24.916 262 2HZ LYS 33 2HZ LYS 33 -12.540 1.876 -26.038 263 3HZ LYS 33 3HZ LYS 33 -12.476 0.481 -25.192 264 H GLY 34 H GLY 34 -11.364 -0.318 -19.126 265 1HA GLY 34 1HA GLY 34 -14.159 0.016 -19.094 266 2HA GLY 34 2HA GLY 34 -13.255 -1.365 -18.507 267 H TYR 35 H TYR 35 -11.765 -0.479 -16.394 268 HA TYR 35 HA TYR 35 -13.454 -0.460 -14.281 269 1HB TYR 35 1HB TYR 35 -10.689 -0.139 -14.903 270 2HB TYR 35 2HB TYR 35 -11.068 1.301 -13.980 271 HD1 TYR 35 HD1 TYR 35 -9.605 -1.711 -13.594 272 HD2 TYR 35 HD2 TYR 35 -12.838 0.510 -11.885 273 HE1 TYR 35 HE1 TYR 35 -9.379 -3.030 -11.432 274 HE2 TYR 35 HE2 TYR 35 -12.600 -0.816 -9.729 275 HH TYR 35 HH TYR 35 -10.423 -3.560 -9.532 276 H ALA 36 H ALA 36 -12.725 2.220 -16.449 277 HA ALA 36 HA ALA 36 -13.454 4.287 -14.652 278 1HB ALA 36 1HB ALA 36 -12.032 4.421 -16.782 279 2HB ALA 36 2HB ALA 36 -13.565 4.357 -17.685 280 3HB ALA 36 3HB ALA 36 -13.249 5.700 -16.561 281 H ASN 37 H ASN 37 -15.174 2.262 -17.078 282 HA ASN 37 HA ASN 37 -17.558 3.744 -16.850 283 1HB ASN 37 1HB ASN 37 -16.927 2.295 -18.833 284 2HB ASN 37 2HB ASN 37 -17.124 0.872 -17.830 285 1HD2 ASN 37 1HD2 ASN 37 -18.693 3.503 -19.470 286 2HD2 ASN 37 2HD2 ASN 37 -20.324 2.930 -19.373 287 H LEU 38 H LEU 38 -16.124 0.792 -15.373 288 HA LEU 38 HA LEU 38 -18.450 -0.125 -14.103 289 1HB LEU 38 1HB LEU 38 -15.550 -0.660 -14.019 290 2HB LEU 38 2HB LEU 38 -16.418 -1.038 -12.545 291 HG LEU 38 HG LEU 38 -16.085 -2.811 -14.487 292 1HD1 LEU 38 1HD1 LEU 38 -17.593 -2.668 -12.204 293 2HD1 LEU 38 2HD1 LEU 38 -18.819 -3.037 -13.441 294 3HD1 LEU 38 3HD1 LEU 38 -17.412 -4.107 -13.236 295 1HD2 LEU 38 1HD2 LEU 38 -17.597 -2.859 -16.192 296 2HD2 LEU 38 2HD2 LEU 38 -18.834 -1.963 -15.278 297 3HD2 LEU 38 3HD2 LEU 38 -17.449 -1.097 -15.986 298 H VAL 39 H VAL 39 -15.743 2.017 -13.009 299 HA VAL 39 HA VAL 39 -16.901 2.406 -10.446 300 HB VAL 39 HB VAL 39 -14.454 2.605 -11.266 301 1HG1 VAL 39 1HG1 VAL 39 -15.369 4.512 -12.918 302 2HG1 VAL 39 2HG1 VAL 39 -14.957 5.532 -11.519 303 3HG1 VAL 39 3HG1 VAL 39 -13.710 4.510 -12.273 304 1HG2 VAL 39 1HG2 VAL 39 -14.688 4.903 -9.559 305 2HG2 VAL 39 2HG2 VAL 39 -15.892 3.687 -9.068 306 3HG2 VAL 39 3HG2 VAL 39 -14.168 3.250 -9.152 307 H ASN 40 H ASN 40 -17.169 3.941 -13.644 308 HA ASN 40 HA ASN 40 -18.262 6.334 -12.750 309 1HB ASN 40 1HB ASN 40 -17.462 6.206 -15.029 310 2HB ASN 40 2HB ASN 40 -18.430 4.786 -15.374 311 1HD2 ASN 40 1HD2 ASN 40 -20.418 4.990 -16.157 312 2HD2 ASN 40 2HD2 ASN 40 -21.280 6.475 -16.384 313 H LEU 41 H LEU 41 -19.495 3.050 -13.137 314 HA LEU 41 HA LEU 41 -22.259 3.975 -12.993 315 1HB LEU 41 1HB LEU 41 -21.210 2.130 -14.583 316 2HB LEU 41 2HB LEU 41 -21.495 1.100 -13.194 317 HG LEU 41 HG LEU 41 -23.777 2.804 -14.046 318 1HD1 LEU 41 1HD1 LEU 41 -23.605 2.249 -16.207 319 2HD1 LEU 41 2HD1 LEU 41 -22.413 0.966 -15.888 320 3HD1 LEU 41 3HD1 LEU 41 -24.150 0.638 -15.682 321 1HD2 LEU 41 1HD2 LEU 41 -24.265 -0.036 -13.718 322 2HD2 LEU 41 2HD2 LEU 41 -23.374 0.637 -12.332 323 3HD2 LEU 41 3HD2 LEU 41 -24.929 1.351 -12.822 324 H ILE 42 H ILE 42 -19.959 1.703 -11.339 325 HA ILE 42 HA ILE 42 -21.614 1.059 -9.230 326 HB ILE 42 HB ILE 42 -18.609 1.276 -9.394 327 1HG1 ILE 42 1HG1 ILE 42 -20.308 -1.219 -9.525 328 2HG1 ILE 42 2HG1 ILE 42 -19.917 -0.290 -10.958 329 1HG2 ILE 42 1HG2 ILE 42 -18.492 -0.119 -7.421 330 2HG2 ILE 42 2HG2 ILE 42 -19.390 1.373 -7.052 331 3HG2 ILE 42 3HG2 ILE 42 -20.268 -0.155 -7.301 332 1HD1 ILE 42 1HD1 ILE 42 -17.613 -0.915 -9.153 333 2HD1 ILE 42 2HD1 ILE 42 -18.339 -2.293 -10.015 334 3HD1 ILE 42 3HD1 ILE 42 -17.696 -0.909 -10.931 335 H GLU 43 H GLU 43 -22.681 2.411 -7.892 336 HA GLU 43 HA GLU 43 -21.933 5.061 -7.566 337 1HB GLU 43 1HB GLU 43 -24.165 3.533 -6.998 338 2HB GLU 43 2HB GLU 43 -23.560 3.865 -5.387 339 1HG GLU 43 1HG GLU 43 -23.389 6.345 -6.114 340 2HG GLU 43 2HG GLU 43 -24.312 5.894 -7.534 341 HA PRO 44 HA PRO 44 -20.116 3.577 -3.438 342 1HB PRO 44 1HB PRO 44 -19.791 0.903 -2.980 343 2HB PRO 44 2HB PRO 44 -21.172 1.814 -2.402 344 1HG PRO 44 1HG PRO 44 -21.021 -0.093 -4.655 345 2HG PRO 44 2HG PRO 44 -22.437 0.490 -3.804 346 1HD PRO 44 1HD PRO 44 -21.528 1.323 -6.394 347 2HD PRO 44 2HD PRO 44 -22.876 1.987 -5.492 348 H MET 45 H MET 45 -18.177 4.476 -3.778 349 HA MET 45 HA MET 45 -16.010 2.862 -4.085 350 1HB MET 45 1HB MET 45 -17.387 3.133 -6.560 351 2HB MET 45 2HB MET 45 -16.042 4.249 -6.694 352 1HG MET 45 1HG MET 45 -14.438 2.558 -6.610 353 2HG MET 45 2HG MET 45 -15.414 1.529 -5.581 354 1HE MET 45 1HE MET 45 -14.275 0.750 -9.425 355 2HE MET 45 2HE MET 45 -13.659 0.901 -7.762 356 3HE MET 45 3HE MET 45 -14.547 -0.561 -8.253 357 H LYS 46 H LYS 46 -17.581 5.997 -4.743 358 HA LYS 46 HA LYS 46 -16.974 8.068 -4.273 359 1HB LYS 46 1HB LYS 46 -14.733 6.771 -2.695 360 2HB LYS 46 2HB LYS 46 -15.121 8.479 -2.654 361 1HG LYS 46 1HG LYS 46 -17.466 6.700 -2.222 362 2HG LYS 46 2HG LYS 46 -16.229 6.555 -0.989 363 1HD LYS 46 1HD LYS 46 -17.102 9.317 -1.864 364 2HD LYS 46 2HD LYS 46 -18.138 8.405 -0.784 365 1HE LYS 46 1HE LYS 46 -16.010 8.036 0.674 366 2HE LYS 46 2HE LYS 46 -15.262 9.284 -0.302 367 1HZ LYS 46 1HZ LYS 46 -16.582 10.857 0.579 368 2HZ LYS 46 2HZ LYS 46 -17.872 9.876 0.782 369 3HZ LYS 46 3HZ LYS 46 -16.633 9.825 1.844 370 H ALA 47 H ALA 47 -13.794 6.349 -4.686 371 HA ALA 47 HA ALA 47 -13.461 7.514 -7.278 372 1HB ALA 47 1HB ALA 47 -12.753 9.488 -6.266 373 2HB ALA 47 2HB ALA 47 -12.087 8.646 -4.846 374 3HB ALA 47 3HB ALA 47 -11.218 8.597 -6.399 375 H PHE 48 H PHE 48 -11.800 6.449 -8.451 376 HA PHE 48 HA PHE 48 -10.358 4.395 -6.943 377 1HB PHE 48 1HB PHE 48 -12.146 3.161 -7.973 378 2HB PHE 48 2HB PHE 48 -12.212 4.237 -9.354 379 HD1 PHE 48 HD1 PHE 48 -10.263 1.506 -7.803 380 HD2 PHE 48 HD2 PHE 48 -10.958 3.787 -11.313 381 HE1 PHE 48 HE1 PHE 48 -8.875 -0.111 -9.129 382 HE2 PHE 48 HE2 PHE 48 -9.571 2.170 -12.639 383 HZ PHE 48 HZ PHE 48 -8.545 0.240 -11.531 384 H HIS 49 H HIS 49 -8.217 4.807 -7.207 385 HA HIS 49 HA HIS 49 -7.395 5.731 -9.864 386 1HB HIS 49 1HB HIS 49 -5.420 6.727 -8.422 387 2HB HIS 49 2HB HIS 49 -6.913 7.609 -8.679 388 HD1 HIS 49 HD1 HIS 49 -8.478 7.971 -6.640 389 HD2 HIS 49 HD2 HIS 49 -5.039 5.729 -5.778 390 HE1 HIS 49 HE1 HIS 49 -8.340 7.824 -4.097 391 HE2 HIS 49 HE2 HIS 49 -6.238 6.390 -3.629 392 H TRP 50 H TRP 50 -5.019 5.168 -10.335 393 HA TRP 50 HA TRP 50 -4.459 2.519 -9.184 394 1HB TRP 50 1HB TRP 50 -3.402 1.988 -11.360 395 2HB TRP 50 2HB TRP 50 -5.139 2.210 -11.432 396 HD1 TRP 50 HD1 TRP 50 -5.786 4.983 -12.217 397 HE1 TRP 50 HE1 TRP 50 -4.820 6.372 -14.242 398 HE3 TRP 50 HE3 TRP 50 -1.548 2.227 -12.767 399 HZ2 TRP 50 HZ2 TRP 50 -2.446 6.166 -15.812 400 HZ3 TRP 50 HZ3 TRP 50 0.041 2.888 -14.570 401 HH2 TRP 50 HH2 TRP 50 -0.352 4.783 -16.063 402 H GLY 51 H GLY 51 -1.970 2.012 -9.510 403 1HA GLY 51 1HA GLY 51 -0.260 4.351 -9.443 404 2HA GLY 51 2HA GLY 51 -0.436 3.524 -7.909 405 H LYS 52 H LYS 52 1.765 3.805 -10.183 406 HA LYS 52 HA LYS 52 2.409 0.939 -10.188 407 1HB LYS 52 1HB LYS 52 1.770 1.547 -12.428 408 2HB LYS 52 2HB LYS 52 2.789 2.971 -12.401 409 1HG LYS 52 1HG LYS 52 4.799 1.439 -12.058 410 2HG LYS 52 2HG LYS 52 3.731 0.069 -12.285 411 1HD LYS 52 1HD LYS 52 3.098 1.626 -14.491 412 2HD LYS 52 2HD LYS 52 4.802 1.985 -14.293 413 1HE LYS 52 1HE LYS 52 4.214 -0.897 -13.989 414 2HE LYS 52 2HE LYS 52 3.737 -0.279 -15.557 415 1HZ LYS 52 1HZ LYS 52 6.127 -1.042 -15.194 416 2HZ LYS 52 2HZ LYS 52 5.877 0.336 -16.033 417 3HZ LYS 52 3HZ LYS 52 6.356 0.405 -14.473 418 H ASP 53 H ASP 53 4.697 0.426 -10.016 419 HA ASP 53 HA ASP 53 5.962 1.773 -8.060 420 1HB ASP 53 1HB ASP 53 8.115 0.739 -9.324 421 2HB ASP 53 2HB ASP 53 6.982 -0.259 -8.434 422 H VAL 54 H VAL 54 7.630 3.422 -8.000 423 HA VAL 54 HA VAL 54 7.930 4.883 -10.532 424 HB VAL 54 HB VAL 54 8.449 6.807 -8.912 425 1HG1 VAL 54 1HG1 VAL 54 6.220 6.117 -10.256 426 2HG1 VAL 54 2HG1 VAL 54 5.583 6.068 -8.595 427 3HG1 VAL 54 3HG1 VAL 54 6.325 7.561 -9.220 428 1HG2 VAL 54 1HG2 VAL 54 7.455 6.674 -6.697 429 2HG2 VAL 54 2HG2 VAL 54 6.938 4.998 -6.997 430 3HG2 VAL 54 3HG2 VAL 54 8.671 5.388 -6.889 431 H SER 55 H SER 55 9.903 4.677 -11.442 432 HA SER 55 HA SER 55 11.991 4.016 -11.641 433 1HB SER 55 1HB SER 55 11.849 6.508 -10.508 434 2HB SER 55 2HB SER 55 12.881 5.704 -9.343 435 HG SER 55 HG SER 55 14.288 6.501 -10.877 436 H ILE 56 H ILE 56 11.146 1.849 -10.586 437 HA ILE 56 HA ILE 56 12.663 1.391 -8.112 438 HB ILE 56 HB ILE 56 10.249 -0.106 -9.136 439 1HG1 ILE 56 1HG1 ILE 56 9.743 2.249 -8.497 440 2HG1 ILE 56 2HG1 ILE 56 8.930 1.049 -7.513 441 1HG2 ILE 56 1HG2 ILE 56 11.396 -1.627 -7.817 442 2HG2 ILE 56 2HG2 ILE 56 11.998 -0.373 -6.706 443 3HG2 ILE 56 3HG2 ILE 56 10.287 -0.861 -6.654 444 1HD1 ILE 56 1HD1 ILE 56 10.059 1.646 -5.611 445 2HD1 ILE 56 2HD1 ILE 56 11.597 1.869 -6.479 446 3HD1 ILE 56 3HD1 ILE 56 10.369 3.158 -6.497 447 H GLU 57 H GLU 57 12.457 0.829 -11.496 448 HA GLU 57 HA GLU 57 13.466 -0.518 -12.872 449 1HB GLU 57 1HB GLU 57 15.396 0.323 -11.006 450 2HB GLU 57 2HB GLU 57 15.689 -1.397 -11.165 451 1HG GLU 57 1HG GLU 57 15.565 -1.009 -13.738 452 2HG GLU 57 2HG GLU 57 15.680 0.700 -13.371 453 H ASN 58 H ASN 58 15.012 -2.897 -12.618 454 HA ASN 58 HA ASN 58 12.944 -4.720 -12.177 455 1HB ASN 58 1HB ASN 58 15.942 -4.983 -12.667 456 2HB ASN 58 2HB ASN 58 14.961 -6.406 -12.381 457 1HD2 ASN 58 1HD2 ASN 58 16.358 -5.953 -14.731 458 2HD2 ASN 58 2HD2 ASN 58 15.256 -5.739 -16.050 459 H LEU 59 H LEU 59 12.378 -4.218 -9.874 460 HA LEU 59 HA LEU 59 14.181 -5.610 -8.037 461 1HB LEU 59 1HB LEU 59 13.190 -2.805 -7.865 462 2HB LEU 59 2HB LEU 59 13.285 -3.737 -6.385 463 HG LEU 59 HG LEU 59 15.687 -3.683 -8.169 464 1HD1 LEU 59 1HD1 LEU 59 16.159 -1.564 -6.480 465 2HD1 LEU 59 2HD1 LEU 59 15.743 -1.451 -8.207 466 3HD1 LEU 59 3HD1 LEU 59 14.468 -1.303 -6.972 467 1HD2 LEU 59 1HD2 LEU 59 15.112 -4.016 -5.242 468 2HD2 LEU 59 2HD2 LEU 59 16.053 -5.048 -6.344 469 3HD2 LEU 59 3HD2 LEU 59 16.726 -3.499 -5.784 470 H HIS 60 H HIS 60 10.909 -4.208 -8.670 471 HA HIS 60 HA HIS 60 9.486 -5.294 -6.679 472 1HB HIS 60 1HB HIS 60 7.570 -5.247 -8.147 473 2HB HIS 60 2HB HIS 60 8.585 -3.849 -8.443 474 HD1 HIS 60 HD1 HIS 60 7.092 -6.799 -10.107 475 HD2 HIS 60 HD2 HIS 60 10.107 -4.000 -10.926 476 HE1 HIS 60 HE1 HIS 60 7.584 -6.988 -12.603 477 HE2 HIS 60 HE2 HIS 60 9.404 -5.206 -13.058 478 H GLN 61 H GLN 61 7.976 -7.257 -6.689 479 HA GLN 61 HA GLN 61 9.606 -9.526 -7.436 480 1HB GLN 61 1HB GLN 61 7.733 -8.899 -5.271 481 2HB GLN 61 2HB GLN 61 7.344 -10.438 -6.014 482 1HG GLN 61 1HG GLN 61 8.985 -10.660 -4.126 483 2HG GLN 61 2HG GLN 61 9.612 -11.274 -5.643 484 1HE2 GLN 61 1HE2 GLN 61 10.090 -9.191 -3.050 485 2HE2 GLN 61 2HE2 GLN 61 11.451 -8.289 -3.629 486 H GLY 62 H GLY 62 6.670 -7.810 -8.303 487 1HA GLY 62 1HA GLY 62 6.159 -8.653 -10.712 488 2HA GLY 62 2HA GLY 62 5.653 -10.090 -9.846 489 H TYR 63 H TYR 63 5.351 -6.573 -8.992 490 HA TYR 63 HA TYR 63 2.578 -7.025 -8.312 491 1HB TYR 63 1HB TYR 63 4.762 -4.932 -8.067 492 2HB TYR 63 2HB TYR 63 3.116 -4.332 -8.015 493 HD1 TYR 63 HD1 TYR 63 1.645 -4.841 -6.130 494 HD2 TYR 63 HD2 TYR 63 5.645 -6.353 -6.269 495 HE1 TYR 63 HE1 TYR 63 1.515 -5.433 -3.661 496 HE2 TYR 63 HE2 TYR 63 5.501 -6.941 -3.800 497 HH TYR 63 HH TYR 63 3.622 -5.715 -1.764 498 H THR 64 H THR 64 4.537 -5.177 -10.717 499 HA THR 64 HA THR 64 3.985 -4.269 -12.671 500 HB THR 64 HB THR 64 2.483 -5.495 -13.976 501 HG1 THR 64 HG1 THR 64 0.391 -6.125 -12.940 502 1HG2 THR 64 1HG2 THR 64 2.021 -7.357 -11.656 503 2HG2 THR 64 2HG2 THR 64 2.525 -7.733 -13.322 504 3HG2 THR 64 3HG2 THR 64 3.711 -7.102 -12.154 505 H HIS 65 H HIS 65 0.912 -4.398 -10.739 506 HA HIS 65 HA HIS 65 0.986 -1.554 -10.495 507 1HB HIS 65 1HB HIS 65 -1.106 -2.859 -12.253 508 2HB HIS 65 2HB HIS 65 -1.264 -1.247 -11.585 509 HD1 HIS 65 HD1 HIS 65 0.945 -3.229 -13.976 510 HD2 HIS 65 HD2 HIS 65 0.043 0.748 -12.994 511 HE1 HIS 65 HE1 HIS 65 2.080 -1.781 -15.744 512 HE2 HIS 65 HE2 HIS 65 1.444 0.648 -15.120 513 H ILE 66 H ILE 66 -1.286 -0.866 -9.410 514 HA ILE 66 HA ILE 66 -2.394 -3.021 -7.840 515 HB ILE 66 HB ILE 66 -1.686 -2.382 -5.766 516 1HG1 ILE 66 1HG1 ILE 66 -0.335 -0.033 -5.674 517 2HG1 ILE 66 2HG1 ILE 66 -1.472 0.329 -6.957 518 1HG2 ILE 66 1HG2 ILE 66 0.648 -1.744 -7.589 519 2HG2 ILE 66 2HG2 ILE 66 0.769 -2.065 -5.843 520 3HG2 ILE 66 3HG2 ILE 66 0.191 -3.339 -6.944 521 1HD1 ILE 66 1HD1 ILE 66 -3.085 -0.961 -5.083 522 2HD1 ILE 66 2HD1 ILE 66 -1.958 -0.028 -4.070 523 3HD1 ILE 66 3HD1 ILE 66 -2.950 0.802 -5.293 524 H PHE 67 H PHE 67 -4.517 -2.611 -7.284 525 HA PHE 67 HA PHE 67 -5.530 -0.043 -8.242 526 1HB PHE 67 1HB PHE 67 -6.715 -2.809 -7.621 527 2HB PHE 67 2HB PHE 67 -7.738 -1.439 -8.005 528 HD1 PHE 67 HD1 PHE 67 -7.043 -4.238 -9.437 529 HD2 PHE 67 HD2 PHE 67 -6.120 -0.161 -10.162 530 HE1 PHE 67 HE1 PHE 67 -6.785 -4.732 -11.884 531 HE2 PHE 67 HE2 PHE 67 -5.862 -0.654 -12.610 532 HZ PHE 67 HZ PHE 67 -6.197 -2.934 -13.441 533 H GLU 68 H GLU 68 -6.057 1.501 -6.775 534 HA GLU 68 HA GLU 68 -6.627 0.554 -4.076 535 1HB GLU 68 1HB GLU 68 -4.582 2.086 -4.544 536 2HB GLU 68 2HB GLU 68 -5.746 3.369 -4.806 537 1HG GLU 68 1HG GLU 68 -5.766 3.703 -2.562 538 2HG GLU 68 2HG GLU 68 -6.604 2.172 -2.404 539 H SER 69 H SER 69 -8.549 1.183 -3.061 540 HA SER 69 HA SER 69 -10.250 2.924 -4.668 541 1HB SER 69 1HB SER 69 -10.795 0.347 -4.542 542 2HB SER 69 2HB SER 69 -11.367 0.711 -2.926 543 HG SER 69 HG SER 69 -12.913 0.842 -4.892 544 H THR 70 H THR 70 -11.299 4.584 -3.540 545 HA THR 70 HA THR 70 -10.590 4.795 -0.707 546 HB THR 70 HB THR 70 -11.435 6.752 -2.894 547 HG1 THR 70 HG1 THR 70 -9.268 7.569 -1.974 548 1HG2 THR 70 1HG2 THR 70 -12.465 7.768 -0.995 549 2HG2 THR 70 2HG2 THR 70 -11.245 7.113 0.123 550 3HG2 THR 70 3HG2 THR 70 -10.821 8.449 -0.974 551 H PHE 71 H PHE 71 -12.015 4.569 0.909 552 HA PHE 71 HA PHE 71 -14.849 4.679 0.173 553 1HB PHE 71 1HB PHE 71 -13.377 2.701 2.017 554 2HB PHE 71 2HB PHE 71 -15.110 2.709 1.762 555 HD1 PHE 71 HD1 PHE 71 -15.750 2.628 -0.874 556 HD2 PHE 71 HD2 PHE 71 -12.185 1.114 0.860 557 HE1 PHE 71 HE1 PHE 71 -15.471 1.062 -2.816 558 HE2 PHE 71 HE2 PHE 71 -11.906 -0.452 -1.082 559 HZ PHE 71 HZ PHE 71 -13.552 -0.459 -2.896 560 H GLU 72 H GLU 72 -16.258 4.786 2.264 561 HA GLU 72 HA GLU 72 -14.821 6.433 4.199 562 1HB GLU 72 1HB GLU 72 -16.909 7.772 4.456 563 2HB GLU 72 2HB GLU 72 -16.253 7.869 2.834 564 1HG GLU 72 1HG GLU 72 -18.081 5.598 3.042 565 2HG GLU 72 2HG GLU 72 -18.876 7.061 3.586 566 H SER 73 H SER 73 -15.661 3.447 3.974 567 HA SER 73 HA SER 73 -16.156 3.058 6.636 568 1HB SER 73 1HB SER 73 -18.520 3.893 5.386 569 2HB SER 73 2HB SER 73 -18.685 2.149 5.422 570 HG SER 73 HG SER 73 -19.311 2.452 7.448 571 H LYS 74 H LYS 74 -16.031 0.791 7.146 572 HA LYS 74 HA LYS 74 -14.926 -0.790 5.087 573 1HB LYS 74 1HB LYS 74 -14.723 -2.492 6.799 574 2HB LYS 74 2HB LYS 74 -14.238 -0.936 7.442 575 1HG LYS 74 1HG LYS 74 -16.286 -0.678 8.676 576 2HG LYS 74 2HG LYS 74 -17.087 -1.951 7.776 577 1HD LYS 74 1HD LYS 74 -14.626 -2.504 9.485 578 2HD LYS 74 2HD LYS 74 -16.242 -2.528 10.163 579 1HE LYS 74 1HE LYS 74 -16.326 -4.076 7.740 580 2HE LYS 74 2HE LYS 74 -14.902 -4.586 8.625 581 1HZ LYS 74 1HZ LYS 74 -16.147 -5.391 10.288 582 2HZ LYS 74 2HZ LYS 74 -17.302 -4.241 10.181 583 3HZ LYS 74 3HZ LYS 74 -17.302 -5.497 9.138 584 H GLU 75 H GLU 75 -18.183 -0.316 6.394 585 HA GLU 75 HA GLU 75 -19.235 -2.720 5.432 586 1HB GLU 75 1HB GLU 75 -20.519 -0.051 6.142 587 2HB GLU 75 2HB GLU 75 -21.457 -1.458 5.681 588 1HG GLU 75 1HG GLU 75 -20.401 -2.760 7.553 589 2HG GLU 75 2HG GLU 75 -19.497 -1.334 8.023 590 H ALA 76 H ALA 76 -18.724 0.526 4.015 591 HA ALA 76 HA ALA 76 -20.361 0.246 1.782 592 1HB ALA 76 1HB ALA 76 -19.263 2.173 1.003 593 2HB ALA 76 2HB ALA 76 -19.074 2.289 2.769 594 3HB ALA 76 3HB ALA 76 -17.719 1.719 1.764 595 H VAL 77 H VAL 77 -16.923 -0.691 2.383 596 HA VAL 77 HA VAL 77 -16.244 -1.451 -0.160 597 HB VAL 77 HB VAL 77 -15.483 -2.566 2.540 598 1HG1 VAL 77 1HG1 VAL 77 -14.729 -3.458 -0.176 599 2HG1 VAL 77 2HG1 VAL 77 -13.364 -3.163 0.927 600 3HG1 VAL 77 3HG1 VAL 77 -14.643 -4.314 1.382 601 1HG2 VAL 77 1HG2 VAL 77 -14.757 -0.201 1.018 602 2HG2 VAL 77 2HG2 VAL 77 -14.361 -0.641 2.697 603 3HG2 VAL 77 3HG2 VAL 77 -13.331 -1.210 1.362 604 H ALA 78 H ALA 78 -18.330 -3.069 2.235 605 HA ALA 78 HA ALA 78 -18.366 -5.579 0.950 606 1HB ALA 78 1HB ALA 78 -20.489 -4.308 2.721 607 2HB ALA 78 2HB ALA 78 -20.203 -6.044 2.453 608 3HB ALA 78 3HB ALA 78 -19.003 -5.071 3.337 609 H GLU 79 H GLU 79 -20.488 -2.649 0.799 610 HA GLU 79 HA GLU 79 -22.390 -3.712 -0.857 611 1HB GLU 79 1HB GLU 79 -21.774 -1.190 0.254 612 2HB GLU 79 2HB GLU 79 -21.831 -0.903 -1.474 613 1HG GLU 79 1HG GLU 79 -24.092 -1.307 -1.607 614 2HG GLU 79 2HG GLU 79 -24.029 -2.636 -0.467 615 H TYR 80 H TYR 80 -19.185 -2.272 -1.603 616 HA TYR 80 HA TYR 80 -19.621 -2.313 -4.427 617 1HB TYR 80 1HB TYR 80 -18.028 -0.721 -3.578 618 2HB TYR 80 2HB TYR 80 -17.407 -1.847 -2.388 619 HD1 TYR 80 HD1 TYR 80 -15.152 -2.245 -2.732 620 HD2 TYR 80 HD2 TYR 80 -17.735 -1.981 -6.132 621 HE1 TYR 80 HE1 TYR 80 -13.198 -2.782 -4.267 622 HE2 TYR 80 HE2 TYR 80 -15.772 -2.518 -7.656 623 HH TYR 80 HH TYR 80 -13.342 -3.938 -7.028 624 H ILE 81 H ILE 81 -18.088 -4.452 -1.981 625 HA ILE 81 HA ILE 81 -16.944 -6.164 -3.951 626 HB ILE 81 HB ILE 81 -17.288 -6.234 -0.973 627 1HG1 ILE 81 1HG1 ILE 81 -14.928 -6.079 -2.863 628 2HG1 ILE 81 2HG1 ILE 81 -15.506 -4.841 -1.765 629 1HG2 ILE 81 1HG2 ILE 81 -16.122 -8.380 -0.891 630 2HG2 ILE 81 2HG2 ILE 81 -17.686 -8.527 -1.728 631 3HG2 ILE 81 3HG2 ILE 81 -16.174 -8.488 -2.667 632 1HD1 ILE 81 1HD1 ILE 81 -14.198 -7.494 -1.048 633 2HD1 ILE 81 2HD1 ILE 81 -13.623 -5.851 -0.674 634 3HD1 ILE 81 3HD1 ILE 81 -15.059 -6.502 0.153 635 H ALA 82 H ALA 82 -20.105 -5.715 -2.546 636 HA ALA 82 HA ALA 82 -20.905 -8.412 -3.335 637 1HB ALA 82 1HB ALA 82 -22.464 -6.238 -1.881 638 2HB ALA 82 2HB ALA 82 -22.920 -7.950 -2.057 639 3HB ALA 82 3HB ALA 82 -21.505 -7.503 -1.074 640 H HIS 83 H HIS 83 -20.076 -6.555 -5.394 641 HA HIS 83 HA HIS 83 -22.670 -5.897 -6.582 642 1HB HIS 83 1HB HIS 83 -20.616 -4.204 -6.147 643 2HB HIS 83 2HB HIS 83 -20.150 -4.803 -7.726 644 HD1 HIS 83 HD1 HIS 83 -21.192 -3.643 -9.687 645 HD2 HIS 83 HD2 HIS 83 -23.423 -3.133 -6.172 646 HE1 HIS 83 HE1 HIS 83 -23.081 -2.028 -10.267 647 HE2 HIS 83 HE2 HIS 83 -24.449 -1.797 -8.083 648 HA PRO 84 HA PRO 84 -21.856 -9.079 -9.416 649 1HB PRO 84 1HB PRO 84 -23.865 -8.593 -11.204 650 2HB PRO 84 2HB PRO 84 -24.104 -9.478 -9.710 651 1HG PRO 84 1HG PRO 84 -24.896 -6.708 -10.370 652 2HG PRO 84 2HG PRO 84 -25.482 -7.740 -9.080 653 1HD PRO 84 1HD PRO 84 -23.626 -5.566 -8.831 654 2HD PRO 84 2HD PRO 84 -24.123 -6.671 -7.564 655 H ALA 85 H ALA 85 -22.281 -5.822 -10.630 656 HA ALA 85 HA ALA 85 -21.205 -6.234 -13.144 657 1HB ALA 85 1HB ALA 85 -22.333 -4.161 -11.900 658 2HB ALA 85 2HB ALA 85 -20.633 -3.700 -11.639 659 3HB ALA 85 3HB ALA 85 -21.249 -3.928 -13.293 660 H HIS 86 H HIS 86 -19.580 -5.326 -10.030 661 HA HIS 86 HA HIS 86 -17.018 -5.268 -11.177 662 1HB HIS 86 1HB HIS 86 -17.135 -4.059 -9.234 663 2HB HIS 86 2HB HIS 86 -18.175 -5.218 -8.430 664 HD1 HIS 86 HD1 HIS 86 -17.048 -7.188 -7.157 665 HD2 HIS 86 HD2 HIS 86 -14.346 -4.589 -9.038 666 HE1 HIS 86 HE1 HIS 86 -14.740 -7.763 -6.232 667 HE2 HIS 86 HE2 HIS 86 -13.116 -6.171 -7.465 668 H VAL 87 H VAL 87 -19.046 -7.819 -9.709 669 HA VAL 87 HA VAL 87 -16.990 -9.714 -9.422 670 HB VAL 87 HB VAL 87 -19.814 -9.491 -9.024 671 1HG1 VAL 87 1HG1 VAL 87 -20.553 -11.744 -9.600 672 2HG1 VAL 87 2HG1 VAL 87 -20.019 -10.877 -11.061 673 3HG1 VAL 87 3HG1 VAL 87 -18.965 -12.104 -10.319 674 1HG2 VAL 87 1HG2 VAL 87 -17.498 -11.012 -7.969 675 2HG2 VAL 87 2HG2 VAL 87 -18.777 -10.119 -7.111 676 3HG2 VAL 87 3HG2 VAL 87 -19.094 -11.761 -7.720 677 H GLU 88 H GLU 88 -19.163 -8.774 -12.117 678 HA GLU 88 HA GLU 88 -18.550 -10.962 -13.723 679 1HB GLU 88 1HB GLU 88 -20.396 -9.028 -13.876 680 2HB GLU 88 2HB GLU 88 -19.212 -8.280 -14.929 681 1HG GLU 88 1HG GLU 88 -19.877 -9.628 -16.623 682 2HG GLU 88 2HG GLU 88 -19.347 -11.028 -15.713 683 H PHE 89 H PHE 89 -17.069 -7.703 -13.328 684 HA PHE 89 HA PHE 89 -15.236 -8.098 -15.473 685 1HB PHE 89 1HB PHE 89 -16.145 -6.064 -13.592 686 2HB PHE 89 2HB PHE 89 -14.399 -6.151 -13.469 687 HD1 PHE 89 HD1 PHE 89 -16.573 -6.594 -16.462 688 HD2 PHE 89 HD2 PHE 89 -13.624 -4.235 -14.527 689 HE1 PHE 89 HE1 PHE 89 -16.357 -5.175 -18.521 690 HE2 PHE 89 HE2 PHE 89 -13.408 -2.816 -16.586 691 HZ PHE 89 HZ PHE 89 -14.777 -3.303 -18.559 692 H ALA 90 H ALA 90 -15.206 -8.501 -11.903 693 HA ALA 90 HA ALA 90 -12.417 -8.891 -11.712 694 1HB ALA 90 1HB ALA 90 -13.575 -8.242 -9.749 695 2HB ALA 90 2HB ALA 90 -14.809 -9.509 -9.955 696 3HB ALA 90 3HB ALA 90 -13.153 -9.950 -9.475 697 H THR 91 H THR 91 -15.221 -10.982 -12.433 698 HA THR 91 HA THR 91 -13.763 -13.418 -12.121 699 HB THR 91 HB THR 91 -16.426 -12.661 -13.429 700 HG1 THR 91 HG1 THR 91 -15.459 -13.863 -10.933 701 1HG2 THR 91 1HG2 THR 91 -16.980 -15.019 -13.410 702 2HG2 THR 91 2HG2 THR 91 -15.408 -14.900 -14.236 703 3HG2 THR 91 3HG2 THR 91 -15.484 -15.427 -12.537 704 H ILE 92 H ILE 92 -14.742 -11.381 -14.942 705 HA ILE 92 HA ILE 92 -13.694 -13.074 -16.878 706 HB ILE 92 HB ILE 92 -14.339 -10.155 -16.730 707 1HG1 ILE 92 1HG1 ILE 92 -15.443 -12.261 -18.590 708 2HG1 ILE 92 2HG1 ILE 92 -16.046 -12.073 -16.956 709 1HG2 ILE 92 1HG2 ILE 92 -13.073 -11.548 -19.105 710 2HG2 ILE 92 2HG2 ILE 92 -13.818 -9.932 -19.127 711 3HG2 ILE 92 3HG2 ILE 92 -12.366 -10.230 -18.141 712 1HD1 ILE 92 1HD1 ILE 92 -16.138 -9.473 -17.704 713 2HD1 ILE 92 2HD1 ILE 92 -16.311 -10.230 -19.306 714 3HD1 ILE 92 3HD1 ILE 92 -17.479 -10.602 -18.015 715 H PHE 93 H PHE 93 -12.179 -10.557 -14.820 716 HA PHE 93 HA PHE 93 -9.709 -10.634 -16.215 717 1HB PHE 93 1HB PHE 93 -10.620 -8.742 -14.778 718 2HB PHE 93 2HB PHE 93 -10.524 -9.782 -13.370 719 HD1 PHE 93 HD1 PHE 93 -9.179 -7.827 -12.451 720 HD2 PHE 93 HD2 PHE 93 -7.810 -10.253 -15.653 721 HE1 PHE 93 HE1 PHE 93 -6.829 -7.049 -12.036 722 HE2 PHE 93 HE2 PHE 93 -5.460 -9.474 -15.238 723 HZ PHE 93 HZ PHE 93 -4.997 -7.882 -13.435 724 H LEU 94 H LEU 94 -11.070 -12.244 -13.294 725 HA LEU 94 HA LEU 94 -8.696 -13.342 -12.360 726 1HB LEU 94 1HB LEU 94 -11.581 -13.726 -11.972 727 2HB LEU 94 2HB LEU 94 -10.627 -15.168 -11.681 728 HG LEU 94 HG LEU 94 -10.074 -12.492 -10.373 729 1HD1 LEU 94 1HD1 LEU 94 -11.529 -12.914 -8.720 730 2HD1 LEU 94 2HD1 LEU 94 -12.311 -13.983 -9.909 731 3HD1 LEU 94 3HD1 LEU 94 -11.179 -14.659 -8.713 732 1HD2 LEU 94 1HD2 LEU 94 -8.334 -13.433 -9.311 733 2HD2 LEU 94 2HD2 LEU 94 -9.166 -14.993 -9.102 734 3HD2 LEU 94 3HD2 LEU 94 -8.378 -14.605 -10.650 735 H GLY 95 H GLY 95 -10.875 -14.280 -15.018 736 1HA GLY 95 1HA GLY 95 -9.935 -16.905 -15.391 737 2HA GLY 95 2HA GLY 95 -10.730 -15.891 -16.579 738 H SER 96 H SER 96 -8.528 -13.741 -16.076 739 HA SER 96 HA SER 96 -6.384 -15.139 -17.464 740 1HB SER 96 1HB SER 96 -7.922 -12.703 -18.317 741 2HB SER 96 2HB SER 96 -6.198 -12.705 -18.633 742 HG SER 96 HG SER 96 -7.765 -13.664 -20.307 743 H LEU 97 H LEU 97 -6.364 -14.739 -14.707 744 HA LEU 97 HA LEU 97 -4.579 -12.423 -14.413 745 1HB LEU 97 1HB LEU 97 -6.474 -11.973 -13.124 746 2HB LEU 97 2HB LEU 97 -6.618 -13.630 -12.570 747 HG LEU 97 HG LEU 97 -4.088 -12.414 -11.752 748 1HD1 LEU 97 1HD1 LEU 97 -6.479 -11.213 -10.391 749 2HD1 LEU 97 2HD1 LEU 97 -4.782 -10.673 -10.404 750 3HD1 LEU 97 3HD1 LEU 97 -5.798 -10.450 -11.848 751 1HD2 LEU 97 1HD2 LEU 97 -5.370 -14.543 -10.945 752 2HD2 LEU 97 2HD2 LEU 97 -4.465 -13.547 -9.780 753 3HD2 LEU 97 3HD2 LEU 97 -6.234 -13.391 -9.898 754 H ASP 98 H ASP 98 -2.651 -12.716 -13.155 755 HA ASP 98 HA ASP 98 -1.780 -15.466 -13.269 756 1HB ASP 98 1HB ASP 98 -0.184 -14.036 -14.268 757 2HB ASP 98 2HB ASP 98 -0.430 -12.768 -13.083 758 H LYS 99 H LYS 99 -1.590 -12.577 -11.043 759 HA LYS 99 HA LYS 99 -1.999 -14.383 -8.790 760 1HB LYS 99 1HB LYS 99 0.323 -12.453 -9.053 761 2HB LYS 99 2HB LYS 99 -0.173 -13.188 -7.543 762 1HG LYS 99 1HG LYS 99 -0.032 -15.436 -9.066 763 2HG LYS 99 2HG LYS 99 1.128 -14.453 -9.938 764 1HD LYS 99 1HD LYS 99 1.203 -15.146 -6.965 765 2HD LYS 99 2HD LYS 99 2.298 -15.731 -8.201 766 1HE LYS 99 1HE LYS 99 2.438 -12.930 -8.466 767 2HE LYS 99 2HE LYS 99 2.336 -13.176 -6.734 768 1HZ LYS 99 1HZ LYS 99 4.145 -14.800 -6.976 769 2HZ LYS 99 2HZ LYS 99 4.287 -14.403 -8.553 770 3HZ LYS 99 3HZ LYS 99 4.588 -13.286 -7.400 771 H VAL 100 H VAL 100 -2.848 -13.286 -6.880 772 HA VAL 100 HA VAL 100 -3.582 -10.514 -7.203 773 HB VAL 100 HB VAL 100 -5.398 -11.349 -8.391 774 1HG1 VAL 100 1HG1 VAL 100 -6.616 -13.349 -7.947 775 2HG1 VAL 100 2HG1 VAL 100 -4.890 -13.767 -7.823 776 3HG1 VAL 100 3HG1 VAL 100 -5.859 -13.540 -6.347 777 1HG2 VAL 100 1HG2 VAL 100 -7.045 -11.591 -6.049 778 2HG2 VAL 100 2HG2 VAL 100 -5.808 -10.344 -5.766 779 3HG2 VAL 100 3HG2 VAL 100 -6.888 -10.222 -7.176 780 H LEU 101 H LEU 101 -3.475 -9.525 -5.240 781 HA LEU 101 HA LEU 101 -3.805 -11.232 -2.883 782 1HB LEU 101 1HB LEU 101 -1.462 -9.543 -3.645 783 2HB LEU 101 2HB LEU 101 -1.907 -9.654 -1.954 784 HG LEU 101 HG LEU 101 -1.864 -12.306 -3.033 785 1HD1 LEU 101 1HD1 LEU 101 -0.132 -12.435 -4.413 786 2HD1 LEU 101 2HD1 LEU 101 -0.077 -10.656 -4.441 787 3HD1 LEU 101 3HD1 LEU 101 0.913 -11.558 -3.269 788 1HD2 LEU 101 1HD2 LEU 101 -0.142 -12.643 -1.305 789 2HD2 LEU 101 2HD2 LEU 101 -0.056 -10.882 -1.061 790 3HD2 LEU 101 3HD2 LEU 101 -1.559 -11.760 -0.688 791 H VAL 102 H VAL 102 -4.869 -10.258 -1.147 792 HA VAL 102 HA VAL 102 -6.007 -7.639 -1.798 793 HB VAL 102 HB VAL 102 -6.948 -9.727 0.176 794 1HG1 VAL 102 1HG1 VAL 102 -7.576 -7.155 0.306 795 2HG1 VAL 102 2HG1 VAL 102 -8.707 -7.601 -0.994 796 3HG1 VAL 102 3HG1 VAL 102 -8.796 -8.421 0.584 797 1HG2 VAL 102 1HG2 VAL 102 -8.655 -9.366 -2.142 798 2HG2 VAL 102 2HG2 VAL 102 -7.019 -9.870 -2.630 799 3HG2 VAL 102 3HG2 VAL 102 -7.945 -10.855 -1.473 800 H ILE 103 H ILE 103 -5.421 -5.871 -0.636 801 HA ILE 103 HA ILE 103 -4.353 -6.301 2.040 802 HB ILE 103 HB ILE 103 -2.893 -4.907 -0.202 803 1HG1 ILE 103 1HG1 ILE 103 -1.047 -6.482 0.683 804 2HG1 ILE 103 2HG1 ILE 103 -2.342 -7.351 1.481 805 1HG2 ILE 103 1HG2 ILE 103 -3.038 -3.933 2.351 806 2HG2 ILE 103 2HG2 ILE 103 -1.604 -4.983 2.439 807 3HG2 ILE 103 3HG2 ILE 103 -1.681 -3.682 1.227 808 1HD1 ILE 103 1HD1 ILE 103 -1.542 -7.501 -1.273 809 2HD1 ILE 103 2HD1 ILE 103 -2.844 -8.399 -0.458 810 3HD1 ILE 103 3HD1 ILE 103 -3.189 -6.829 -1.222 811 H ASP 104 H ASP 104 -4.776 -4.588 3.465 812 HA ASP 104 HA ASP 104 -6.347 -2.449 2.255 813 1HB ASP 104 1HB ASP 104 -7.736 -4.013 3.612 814 2HB ASP 104 2HB ASP 104 -6.679 -3.772 4.989 815 H TYR 105 H TYR 105 -5.889 -0.310 3.068 816 HA TYR 105 HA TYR 105 -3.623 -0.188 4.943 817 1HB TYR 105 1HB TYR 105 -3.432 0.516 2.415 818 2HB TYR 105 2HB TYR 105 -4.552 1.810 2.793 819 HD1 TYR 105 HD1 TYR 105 -3.768 3.138 5.094 820 HD2 TYR 105 HD2 TYR 105 -1.213 1.150 2.297 821 HE1 TYR 105 HE1 TYR 105 -1.821 4.602 5.821 822 HE2 TYR 105 HE2 TYR 105 0.726 2.621 3.033 823 HH TYR 105 HH TYR 105 0.499 4.637 5.825 824 H LYS 106 H LYS 106 -4.133 0.646 6.900 825 HA LYS 106 HA LYS 106 -6.259 2.669 6.956 826 1HB LYS 106 1HB LYS 106 -5.843 0.352 8.864 827 2HB LYS 106 2HB LYS 106 -6.888 1.717 9.201 828 1HG LYS 106 1HG LYS 106 -7.867 1.112 6.763 829 2HG LYS 106 2HG LYS 106 -7.219 -0.469 7.151 830 1HD LYS 106 1HD LYS 106 -9.321 -0.703 8.102 831 2HD LYS 106 2HD LYS 106 -8.472 -0.045 9.486 832 1HE LYS 106 1HE LYS 106 -9.296 2.204 9.028 833 2HE LYS 106 2HE LYS 106 -9.931 1.719 7.469 834 1HZ LYS 106 1HZ LYS 106 -11.780 1.517 8.697 835 2HZ LYS 106 2HZ LYS 106 -11.195 0.024 9.008 836 3HZ LYS 106 3HZ LYS 106 -10.998 1.223 10.100 837 HA PRO 107 HA PRO 107 -3.213 4.990 8.964 838 1HB PRO 107 1HB PRO 107 -4.745 7.047 9.905 839 2HB PRO 107 2HB PRO 107 -4.162 6.964 8.255 840 1HG PRO 107 1HG PRO 107 -6.887 6.463 9.284 841 2HG PRO 107 2HG PRO 107 -6.379 6.801 7.642 842 1HD PRO 107 1HD PRO 107 -7.111 4.246 8.720 843 2HD PRO 107 2HD PRO 107 -6.493 4.567 7.112 844 H THR 108 H THR 108 -2.244 3.895 10.585 845 HA THR 108 HA THR 108 -3.520 4.328 13.182 846 HB THR 108 HB THR 108 -2.736 1.659 11.921 847 HG1 THR 108 HG1 THR 108 -5.016 2.720 13.437 848 1HG2 THR 108 1HG2 THR 108 -2.320 2.416 14.655 849 2HG2 THR 108 2HG2 THR 108 -3.826 1.468 14.614 850 3HG2 THR 108 3HG2 THR 108 -2.317 0.768 13.982 851 H SER 109 H SER 109 -1.888 6.031 13.280 852 HA SER 109 HA SER 109 0.829 5.199 13.202 853 1HB SER 109 1HB SER 109 -0.468 7.804 14.120 854 2HB SER 109 2HB SER 109 1.262 7.564 13.970 855 HG SER 109 HG SER 109 -0.646 8.043 11.992 856 H VAL 110 H VAL 110 2.328 5.564 15.128 857 HA VAL 110 HA VAL 110 0.990 4.568 17.525 858 HB VAL 110 HB VAL 110 2.889 3.337 16.455 859 1HG1 VAL 110 1HG1 VAL 110 5.087 4.139 16.460 860 2HG1 VAL 110 2HG1 VAL 110 4.134 5.553 15.949 861 3HG1 VAL 110 3HG1 VAL 110 4.718 5.431 17.626 862 1HG2 VAL 110 1HG2 VAL 110 3.042 4.293 19.318 863 2HG2 VAL 110 2HG2 VAL 110 2.420 2.750 18.685 864 3HG2 VAL 110 3HG2 VAL 110 4.170 3.077 18.671 865 H SER 111 H SER 111 0.931 5.711 19.440 866 HA SER 111 HA SER 111 1.427 8.477 19.223 867 1HB SER 111 1HB SER 111 1.043 7.649 21.969 868 2HB SER 111 2HB SER 111 -0.052 8.538 20.929 869 HG SER 111 HG SER 111 -0.799 6.377 21.785 870 H LEU 112 H LEU 112 3.333 9.541 19.622 871 HA LEU 112 HA LEU 112 5.232 8.222 21.430 872 1HB LEU 112 1HB LEU 112 7.049 9.041 19.976 873 2HB LEU 112 2HB LEU 112 6.051 7.797 19.252 874 HG LEU 112 HG LEU 112 4.917 10.272 18.468 875 1HD1 LEU 112 1HD1 LEU 112 6.944 11.429 19.069 876 2HD1 LEU 112 2HD1 LEU 112 7.933 10.247 18.179 877 3HD1 LEU 112 3HD1 LEU 112 6.831 11.331 17.296 878 1HD2 LEU 112 1HD2 LEU 112 6.563 8.210 16.982 879 2HD2 LEU 112 2HD2 LEU 112 4.791 8.282 17.138 880 3HD2 LEU 112 3HD2 LEU 112 5.654 9.528 16.204 881 1H GLY 1 1H GLY 1 13.157 34.177 5.874 882 1HA GLY 1 1HA GLY 1 10.821 33.472 6.637 883 2HA GLY 1 2HA GLY 1 11.488 32.677 5.225 884 H SER 2 H SER 2 11.046 32.403 8.786 885 HA SER 2 HA SER 2 11.918 29.692 8.768 886 1HB SER 2 1HB SER 2 11.335 29.734 11.164 887 2HB SER 2 2HB SER 2 12.291 31.139 10.735 888 HG SER 2 HG SER 2 10.274 32.369 10.585 889 H HIS 3 H HIS 3 8.857 31.529 8.655 890 HA HIS 3 HA HIS 3 7.354 29.048 8.872 891 1HB HIS 3 1HB HIS 3 5.502 30.319 9.412 892 2HB HIS 3 2HB HIS 3 6.810 31.224 10.148 893 HD1 HIS 3 HD1 HIS 3 3.906 31.705 8.089 894 HD2 HIS 3 HD2 HIS 3 7.722 33.438 8.261 895 HE1 HIS 3 HE1 HIS 3 3.730 33.944 6.877 896 H MET 4 H MET 4 7.308 27.923 6.975 897 HA MET 4 HA MET 4 5.915 28.956 4.823 898 1HB MET 4 1HB MET 4 8.350 30.092 4.736 899 2HB MET 4 2HB MET 4 8.836 28.541 4.081 900 1HG MET 4 1HG MET 4 6.402 29.889 2.898 901 2HG MET 4 2HG MET 4 7.983 30.518 2.480 902 1HE MET 4 1HE MET 4 9.418 29.292 0.372 903 2HE MET 4 2HE MET 4 9.932 28.967 2.045 904 3HE MET 4 3HE MET 4 9.826 27.633 0.872 905 H GLU 5 H GLU 5 5.066 26.797 5.642 906 HA GLU 5 HA GLU 5 6.393 24.467 5.563 907 1HB GLU 5 1HB GLU 5 4.145 23.423 4.999 908 2HB GLU 5 2HB GLU 5 4.126 24.536 6.353 909 1HG GLU 5 1HG GLU 5 3.626 25.779 3.681 910 2HG GLU 5 2HG GLU 5 2.386 24.668 4.229 911 H GLU 6 H GLU 6 6.878 22.836 4.004 912 HA GLU 6 HA GLU 6 6.860 23.880 1.287 913 1HB GLU 6 1HB GLU 6 8.968 22.901 2.799 914 2HB GLU 6 2HB GLU 6 8.523 21.491 1.857 915 1HG GLU 6 1HG GLU 6 8.449 23.684 0.036 916 2HG GLU 6 2HG GLU 6 9.900 23.915 0.992 917 H ALA 7 H ALA 7 5.307 23.048 -0.033 918 HA ALA 7 HA ALA 7 4.293 20.375 0.622 919 1HB ALA 7 1HB ALA 7 2.291 21.066 -0.609 920 2HB ALA 7 2HB ALA 7 2.679 22.269 0.644 921 3HB ALA 7 3HB ALA 7 3.072 22.601 -1.060 922 H LYS 8 H LYS 8 4.386 18.711 -0.883 923 HA LYS 8 HA LYS 8 5.602 19.409 -3.461 924 1HB LYS 8 1HB LYS 8 7.044 18.226 -1.529 925 2HB LYS 8 2HB LYS 8 6.290 16.795 -2.202 926 1HG LYS 8 1HG LYS 8 7.622 18.866 -3.991 927 2HG LYS 8 2HG LYS 8 8.550 17.585 -3.237 928 1HD LYS 8 1HD LYS 8 6.961 15.898 -4.278 929 2HD LYS 8 2HD LYS 8 6.174 17.217 -5.121 930 1HE LYS 8 1HE LYS 8 8.923 17.601 -5.658 931 2HE LYS 8 2HE LYS 8 8.708 15.863 -5.746 932 1HZ LYS 8 1HZ LYS 8 6.712 16.416 -7.167 933 2HZ LYS 8 2HZ LYS 8 7.329 17.923 -7.295 934 3HZ LYS 8 3HZ LYS 8 8.183 16.642 -7.839 935 H GLY 9 H GLY 9 4.286 16.444 -1.825 936 1HA GLY 9 1HA GLY 9 2.707 15.913 -4.231 937 2HA GLY 9 2HA GLY 9 3.053 14.805 -2.919 938 HA PRO 10 HA PRO 10 3.199 15.257 -0.778 939 1HB PRO 10 1HB PRO 10 2.078 13.877 1.298 940 2HB PRO 10 2HB PRO 10 2.573 15.554 1.418 941 1HG PRO 10 1HG PRO 10 -0.155 14.438 1.186 942 2HG PRO 10 2HG PRO 10 0.337 16.031 1.725 943 1HD PRO 10 1HD PRO 10 -0.776 15.352 -0.829 944 2HD PRO 10 2HD PRO 10 -0.177 16.921 -0.331 945 H VAL 11 H VAL 11 4.338 13.286 -0.812 946 HA VAL 11 HA VAL 11 2.837 11.318 -2.373 947 HB VAL 11 HB VAL 11 5.637 12.256 -2.245 948 1HG1 VAL 11 1HG1 VAL 11 6.263 10.125 -1.572 949 2HG1 VAL 11 2HG1 VAL 11 4.913 9.341 -2.426 950 3HG1 VAL 11 3HG1 VAL 11 6.298 9.976 -3.345 951 1HG2 VAL 11 1HG2 VAL 11 5.445 11.471 -4.702 952 2HG2 VAL 11 2HG2 VAL 11 3.711 11.274 -4.352 953 3HG2 VAL 11 3HG2 VAL 11 4.477 12.872 -4.185 954 H LYS 12 H LYS 12 2.612 9.180 -1.685 955 HA LYS 12 HA LYS 12 3.484 8.724 1.083 956 1HB LYS 12 1HB LYS 12 0.964 8.063 -0.392 957 2HB LYS 12 2HB LYS 12 1.514 6.955 0.849 958 1HG LYS 12 1HG LYS 12 0.631 8.335 2.415 959 2HG LYS 12 2HG LYS 12 1.829 9.539 1.984 960 1HD LYS 12 1HD LYS 12 0.301 10.832 0.889 961 2HD LYS 12 2HD LYS 12 -0.377 9.460 0.035 962 1HE LYS 12 1HE LYS 12 -1.430 8.862 2.407 963 2HE LYS 12 2HE LYS 12 -1.129 10.552 2.759 964 1HZ LYS 12 1HZ LYS 12 -2.845 9.424 0.683 965 2HZ LYS 12 2HZ LYS 12 -3.222 10.515 1.838 966 3HZ LYS 12 3HZ LYS 12 -2.301 10.960 0.565 967 H HIS 13 H HIS 13 4.840 7.036 1.496 968 HA HIS 13 HA HIS 13 5.624 5.475 -0.828 969 1HB HIS 13 1HB HIS 13 7.261 6.779 0.650 970 2HB HIS 13 2HB HIS 13 6.981 5.554 1.872 971 HD1 HIS 13 HD1 HIS 13 8.361 5.922 -1.660 972 HD2 HIS 13 HD2 HIS 13 8.386 3.189 1.523 973 HE1 HIS 13 HE1 HIS 13 10.056 4.118 -2.280 974 HE2 HIS 13 HE2 HIS 13 10.067 2.497 -0.263 975 H VAL 14 H VAL 14 5.345 3.257 -0.977 976 HA VAL 14 HA VAL 14 3.965 2.026 1.309 977 HB VAL 14 HB VAL 14 3.499 1.880 -1.651 978 1HG1 VAL 14 1HG1 VAL 14 2.640 -0.217 0.372 979 2HG1 VAL 14 2HG1 VAL 14 2.086 -0.114 -1.316 980 3HG1 VAL 14 3HG1 VAL 14 3.798 -0.446 -0.960 981 1HG2 VAL 14 1HG2 VAL 14 1.389 1.868 0.489 982 2HG2 VAL 14 2HG2 VAL 14 2.249 3.380 0.108 983 3HG2 VAL 14 3HG2 VAL 14 1.333 2.532 -1.162 984 H LEU 15 H LEU 15 5.201 0.533 2.312 985 HA LEU 15 HA LEU 15 7.025 -1.020 0.618 986 1HB LEU 15 1HB LEU 15 7.965 0.907 2.184 987 2HB LEU 15 2HB LEU 15 7.810 -0.335 3.411 988 HG LEU 15 HG LEU 15 9.108 -1.490 1.131 989 1HD1 LEU 15 1HD1 LEU 15 10.055 1.255 1.885 990 2HD1 LEU 15 2HD1 LEU 15 11.233 0.008 1.408 991 3HD1 LEU 15 3HD1 LEU 15 9.938 0.485 0.284 992 1HD2 LEU 15 1HD2 LEU 15 9.184 -1.955 3.706 993 2HD2 LEU 15 2HD2 LEU 15 10.613 -2.267 2.691 994 3HD2 LEU 15 3HD2 LEU 15 10.528 -0.788 3.677 995 H LEU 16 H LEU 16 6.427 -3.112 0.641 996 HA LEU 16 HA LEU 16 4.972 -4.043 3.009 997 1HB LEU 16 1HB LEU 16 5.052 -5.522 0.412 998 2HB LEU 16 2HB LEU 16 3.829 -5.531 1.668 999 HG LEU 16 HG LEU 16 3.498 -3.011 0.943 1000 1HD1 LEU 16 1HD1 LEU 16 5.180 -4.147 -1.212 1001 2HD1 LEU 16 2HD1 LEU 16 3.751 -3.225 -1.738 1002 3HD1 LEU 16 3HD1 LEU 16 4.963 -2.462 -0.680 1003 1HD2 LEU 16 1HD2 LEU 16 2.307 -5.534 0.169 1004 2HD2 LEU 16 2HD2 LEU 16 1.539 -3.967 0.517 1005 3HD2 LEU 16 3HD2 LEU 16 2.136 -4.320 -1.122 1006 H ALA 17 H ALA 17 5.774 -5.688 4.266 1007 HA ALA 17 HA ALA 17 8.167 -7.051 3.265 1008 1HB ALA 17 1HB ALA 17 9.305 -5.635 4.657 1009 2HB ALA 17 2HB ALA 17 7.869 -5.282 5.648 1010 3HB ALA 17 3HB ALA 17 8.770 -6.797 5.894 1011 H SER 18 H SER 18 8.347 -9.223 3.918 1012 HA SER 18 HA SER 18 6.009 -10.169 5.385 1013 1HB SER 18 1HB SER 18 6.576 -12.390 4.123 1014 2HB SER 18 2HB SER 18 5.760 -11.108 3.250 1015 HG SER 18 HG SER 18 7.572 -12.017 2.057 1016 H PHE 19 H PHE 19 6.365 -11.504 7.181 1017 HA PHE 19 HA PHE 19 9.152 -11.765 7.969 1018 1HB PHE 19 1HB PHE 19 6.391 -12.023 9.276 1019 2HB PHE 19 2HB PHE 19 7.827 -12.548 10.132 1020 HD1 PHE 19 HD1 PHE 19 9.194 -10.997 11.259 1021 HD2 PHE 19 HD2 PHE 19 6.232 -9.594 8.564 1022 HE1 PHE 19 HE1 PHE 19 9.571 -8.650 12.066 1023 HE2 PHE 19 HE2 PHE 19 6.609 -7.247 9.371 1024 HZ PHE 19 HZ PHE 19 8.275 -6.803 11.112 1025 H LYS 20 H LYS 20 10.208 -13.624 7.471 1026 HA LYS 20 HA LYS 20 8.991 -15.889 6.482 1027 1HB LYS 20 1HB LYS 20 11.222 -16.979 7.142 1028 2HB LYS 20 2HB LYS 20 11.257 -15.641 6.011 1029 1HG LYS 20 1HG LYS 20 12.150 -14.140 7.585 1030 2HG LYS 20 2HG LYS 20 11.494 -15.014 8.955 1031 1HD LYS 20 1HD LYS 20 13.563 -15.921 9.212 1032 2HD LYS 20 2HD LYS 20 13.207 -16.898 7.802 1033 1HE LYS 20 1HE LYS 20 14.000 -14.370 6.768 1034 2HE LYS 20 2HE LYS 20 15.113 -14.695 8.082 1035 1HZ LYS 20 1HZ LYS 20 14.807 -17.053 6.700 1036 2HZ LYS 20 2HZ LYS 20 15.007 -15.895 5.566 1037 3HZ LYS 20 3HZ LYS 20 16.126 -16.091 6.739 1038 H ASP 21 H ASP 21 8.877 -18.098 7.466 1039 HA ASP 21 HA ASP 21 7.501 -17.875 9.932 1040 1HB ASP 21 1HB ASP 21 7.551 -19.664 7.747 1041 2HB ASP 21 2HB ASP 21 8.191 -20.608 9.077 1042 H GLY 22 H GLY 22 8.402 -18.230 11.980 1043 1HA GLY 22 1HA GLY 22 9.779 -19.668 13.352 1044 2HA GLY 22 2HA GLY 22 11.001 -19.638 12.096 1045 H VAL 23 H VAL 23 9.154 -16.696 12.823 1046 HA VAL 23 HA VAL 23 11.623 -15.532 13.879 1047 HB VAL 23 HB VAL 23 9.137 -14.190 12.801 1048 1HG1 VAL 23 1HG1 VAL 23 10.112 -12.192 13.198 1049 2HG1 VAL 23 2HG1 VAL 23 11.070 -13.099 14.393 1050 3HG1 VAL 23 3HG1 VAL 23 11.736 -12.782 12.773 1051 1HG2 VAL 23 1HG2 VAL 23 11.760 -14.413 11.325 1052 2HG2 VAL 23 2HG2 VAL 23 10.511 -15.674 11.185 1053 3HG2 VAL 23 3HG2 VAL 23 10.146 -14.002 10.698 1054 H SER 24 H SER 24 11.768 -14.849 15.974 1055 HA SER 24 HA SER 24 9.810 -15.678 17.761 1056 1HB SER 24 1HB SER 24 12.141 -13.741 18.086 1057 2HB SER 24 2HB SER 24 11.172 -14.316 19.428 1058 HG SER 24 HG SER 24 12.660 -16.008 17.604 1059 HA PRO 25 HA PRO 25 7.185 -12.211 17.893 1060 1HB PRO 25 1HB PRO 25 6.159 -12.363 20.422 1061 2HB PRO 25 2HB PRO 25 5.589 -13.355 19.095 1062 1HG PRO 25 1HG PRO 25 7.309 -14.119 21.375 1063 2HG PRO 25 2HG PRO 25 6.393 -15.153 20.296 1064 1HD PRO 25 1HD PRO 25 9.223 -14.692 20.239 1065 2HD PRO 25 2HD PRO 25 8.291 -15.633 19.091 1066 H GLU 26 H GLU 26 9.388 -12.466 20.604 1067 HA GLU 26 HA GLU 26 9.115 -9.852 21.436 1068 1HB GLU 26 1HB GLU 26 11.310 -11.922 21.668 1069 2HB GLU 26 2HB GLU 26 11.589 -10.298 22.263 1070 1HG GLU 26 1HG GLU 26 9.693 -10.443 23.790 1071 2HG GLU 26 2HG GLU 26 9.150 -11.945 23.067 1072 H LYS 27 H LYS 27 10.895 -11.298 18.727 1073 HA LYS 27 HA LYS 27 12.529 -8.994 18.288 1074 1HB LYS 27 1HB LYS 27 12.737 -11.607 17.600 1075 2HB LYS 27 2HB LYS 27 12.083 -10.961 16.108 1076 1HG LYS 27 1HG LYS 27 13.907 -9.422 15.837 1077 2HG LYS 27 2HG LYS 27 14.420 -9.603 17.502 1078 1HD LYS 27 1HD LYS 27 14.493 -12.231 16.449 1079 2HD LYS 27 2HD LYS 27 15.123 -11.224 15.160 1080 1HE LYS 27 1HE LYS 27 16.516 -10.109 17.173 1081 2HE LYS 27 2HE LYS 27 16.218 -11.656 17.940 1082 1HZ LYS 27 1HZ LYS 27 17.749 -12.551 16.661 1083 2HZ LYS 27 2HZ LYS 27 17.012 -12.058 15.289 1084 3HZ LYS 27 3HZ LYS 27 18.098 -11.087 16.027 1085 H ILE 28 H ILE 28 9.355 -10.218 17.214 1086 HA ILE 28 HA ILE 28 9.097 -8.384 15.073 1087 HB ILE 28 HB ILE 28 7.256 -10.204 16.582 1088 1HG1 ILE 28 1HG1 ILE 28 8.014 -10.080 13.650 1089 2HG1 ILE 28 2HG1 ILE 28 8.844 -11.063 14.840 1090 1HG2 ILE 28 1HG2 ILE 28 5.648 -9.402 14.583 1091 2HG2 ILE 28 2HG2 ILE 28 5.609 -8.700 16.218 1092 3HG2 ILE 28 3HG2 ILE 28 6.494 -7.871 14.915 1093 1HD1 ILE 28 1HD1 ILE 28 6.219 -11.492 13.548 1094 2HD1 ILE 28 2HD1 ILE 28 7.317 -12.669 14.307 1095 3HD1 ILE 28 3HD1 ILE 28 6.188 -11.728 15.312 1096 H GLU 29 H GLU 29 7.866 -8.457 18.484 1097 HA GLU 29 HA GLU 29 6.591 -5.997 18.279 1098 1HB GLU 29 1HB GLU 29 6.573 -6.079 20.783 1099 2HB GLU 29 2HB GLU 29 6.022 -7.571 20.046 1100 1HG GLU 29 1HG GLU 29 7.528 -8.547 21.475 1101 2HG GLU 29 2HG GLU 29 8.694 -8.125 20.237 1102 H GLU 30 H GLU 30 9.958 -6.939 18.863 1103 HA GLU 30 HA GLU 30 10.772 -4.548 20.042 1104 1HB GLU 30 1HB GLU 30 12.014 -6.988 18.961 1105 2HB GLU 30 2HB GLU 30 13.005 -5.569 18.683 1106 1HG GLU 30 1HG GLU 30 11.859 -5.600 21.401 1107 2HG GLU 30 2HG GLU 30 12.827 -7.026 21.080 1108 H LEU 31 H LEU 31 10.533 -5.676 16.634 1109 HA LEU 31 HA LEU 31 11.876 -3.474 15.516 1110 1HB LEU 31 1HB LEU 31 10.283 -5.769 14.603 1111 2HB LEU 31 2HB LEU 31 10.174 -4.362 13.565 1112 HG LEU 31 HG LEU 31 11.910 -5.813 12.757 1113 1HD1 LEU 31 1HD1 LEU 31 13.567 -4.246 12.395 1114 2HD1 LEU 31 2HD1 LEU 31 12.194 -3.224 12.883 1115 3HD1 LEU 31 3HD1 LEU 31 13.479 -3.606 14.053 1116 1HD2 LEU 31 1HD2 LEU 31 14.012 -5.868 14.480 1117 2HD2 LEU 31 2HD2 LEU 31 12.642 -5.976 15.611 1118 3HD2 LEU 31 3HD2 LEU 31 12.812 -7.171 14.302 1119 H ILE 32 H ILE 32 8.463 -4.114 16.424 1120 HA ILE 32 HA ILE 32 7.405 -1.839 15.171 1121 HB ILE 32 HB ILE 32 6.433 -3.447 17.535 1122 1HG1 ILE 32 1HG1 ILE 32 5.782 -3.645 14.579 1123 2HG1 ILE 32 2HG1 ILE 32 6.758 -4.776 15.495 1124 1HG2 ILE 32 1HG2 ILE 32 4.248 -2.494 17.132 1125 2HG2 ILE 32 2HG2 ILE 32 5.423 -1.192 17.439 1126 3HG2 ILE 32 3HG2 ILE 32 4.881 -1.528 15.777 1127 1HD1 ILE 32 1HD1 ILE 32 4.491 -5.664 15.323 1128 2HD1 ILE 32 2HD1 ILE 32 4.783 -5.193 17.015 1129 3HD1 ILE 32 3HD1 ILE 32 3.808 -4.146 15.956 1130 H LYS 33 H LYS 33 8.450 -2.450 18.594 1131 HA LYS 33 HA LYS 33 7.970 0.200 19.403 1132 1HB LYS 33 1HB LYS 33 8.443 -0.615 21.431 1133 2HB LYS 33 2HB LYS 33 8.509 -2.182 20.650 1134 1HG LYS 33 1HG LYS 33 10.952 -1.939 20.296 1135 2HG LYS 33 2HG LYS 33 10.914 -0.325 20.979 1136 1HD LYS 33 1HD LYS 33 10.037 -1.323 23.145 1137 2HD LYS 33 2HD LYS 33 10.242 -2.918 22.448 1138 1HE LYS 33 1HE LYS 33 12.684 -2.468 22.130 1139 2HE LYS 33 2HE LYS 33 12.481 -0.870 22.818 1140 1HZ LYS 33 1HZ LYS 33 11.396 -2.359 24.704 1141 2HZ LYS 33 2HZ LYS 33 12.497 -3.422 24.134 1142 3HZ LYS 33 3HZ LYS 33 12.980 -1.962 24.684 1143 H GLY 34 H GLY 34 10.805 -1.516 18.026 1144 1HA GLY 34 1HA GLY 34 12.747 0.426 18.483 1145 2HA GLY 34 2HA GLY 34 12.737 -0.744 17.178 1146 H TYR 35 H TYR 35 10.391 0.023 15.756 1147 HA TYR 35 HA TYR 35 11.398 2.102 14.189 1148 1HB TYR 35 1HB TYR 35 9.494 0.114 14.040 1149 2HB TYR 35 2HB TYR 35 8.436 1.465 14.393 1150 HD1 TYR 35 HD1 TYR 35 9.428 3.689 12.879 1151 HD2 TYR 35 HD2 TYR 35 9.369 -0.449 11.796 1152 HE1 TYR 35 HE1 TYR 35 9.428 4.326 10.417 1153 HE2 TYR 35 HE2 TYR 35 9.370 0.201 9.338 1154 HH TYR 35 HH TYR 35 9.841 3.519 8.352 1155 H ALA 36 H ALA 36 9.159 2.054 16.975 1156 HA ALA 36 HA ALA 36 8.175 4.675 16.561 1157 1HB ALA 36 1HB ALA 36 6.748 3.618 17.974 1158 2HB ALA 36 2HB ALA 36 8.008 2.514 18.574 1159 3HB ALA 36 3HB ALA 36 7.870 4.156 19.246 1160 H ASN 37 H ASN 37 10.877 3.229 18.466 1161 HA ASN 37 HA ASN 37 11.557 5.598 19.748 1162 1HB ASN 37 1HB ASN 37 12.330 3.269 20.394 1163 2HB ASN 37 2HB ASN 37 13.368 3.246 18.982 1164 1HD2 ASN 37 1HD2 ASN 37 15.210 3.027 20.219 1165 2HD2 ASN 37 2HD2 ASN 37 15.908 4.324 21.131 1166 H LEU 38 H LEU 38 12.601 3.990 16.680 1167 HA LEU 38 HA LEU 38 14.727 5.628 16.039 1168 1HB LEU 38 1HB LEU 38 12.898 3.796 14.625 1169 2HB LEU 38 2HB LEU 38 13.683 4.993 13.613 1170 HG LEU 38 HG LEU 38 14.996 3.000 13.573 1171 1HD1 LEU 38 1HD1 LEU 38 17.102 3.866 14.011 1172 2HD1 LEU 38 2HD1 LEU 38 16.100 5.329 13.853 1173 3HD1 LEU 38 3HD1 LEU 38 16.560 4.735 15.467 1174 1HD2 LEU 38 1HD2 LEU 38 16.050 2.153 15.745 1175 2HD2 LEU 38 2HD2 LEU 38 14.787 3.088 16.581 1176 3HD2 LEU 38 3HD2 LEU 38 14.333 1.780 15.462 1177 H VAL 39 H VAL 39 11.222 6.183 15.875 1178 HA VAL 39 HA VAL 39 11.404 8.441 14.167 1179 HB VAL 39 HB VAL 39 9.321 7.230 15.958 1180 1HG1 VAL 39 1HG1 VAL 39 8.458 9.288 16.288 1181 2HG1 VAL 39 2HG1 VAL 39 9.419 10.014 14.978 1182 3HG1 VAL 39 3HG1 VAL 39 7.915 9.141 14.599 1183 1HG2 VAL 39 1HG2 VAL 39 8.120 7.230 13.661 1184 2HG2 VAL 39 2HG2 VAL 39 9.734 7.561 12.987 1185 3HG2 VAL 39 3HG2 VAL 39 9.449 6.076 13.927 1186 H ASN 40 H ASN 40 11.664 7.846 17.672 1187 HA ASN 40 HA ASN 40 11.389 10.566 18.352 1188 1HB ASN 40 1HB ASN 40 11.165 8.351 19.817 1189 2HB ASN 40 2HB ASN 40 12.892 8.536 20.046 1190 1HD2 ASN 40 1HD2 ASN 40 12.554 8.870 22.254 1191 2HD2 ASN 40 2HD2 ASN 40 12.000 10.381 22.895 1192 H LEU 41 H LEU 41 13.827 8.706 16.820 1193 HA LEU 41 HA LEU 41 16.003 10.333 17.891 1194 1HB LEU 41 1HB LEU 41 15.746 7.659 16.693 1195 2HB LEU 41 2HB LEU 41 17.125 8.577 16.121 1196 HG LEU 41 HG LEU 41 17.782 7.180 17.973 1197 1HD1 LEU 41 1HD1 LEU 41 19.068 8.714 19.080 1198 2HD1 LEU 41 2HD1 LEU 41 18.534 9.698 17.696 1199 3HD1 LEU 41 3HD1 LEU 41 17.729 9.871 19.274 1200 1HD2 LEU 41 1HD2 LEU 41 15.635 6.884 19.064 1201 2HD2 LEU 41 2HD2 LEU 41 16.844 7.465 20.234 1202 3HD2 LEU 41 3HD2 LEU 41 15.630 8.588 19.577 1203 H ILE 42 H ILE 42 14.788 9.172 14.663 1204 HA ILE 42 HA ILE 42 16.227 11.058 13.205 1205 HB ILE 42 HB ILE 42 13.665 9.605 12.536 1206 1HG1 ILE 42 1HG1 ILE 42 16.430 8.816 11.644 1207 2HG1 ILE 42 2HG1 ILE 42 15.829 8.312 13.211 1208 1HG2 ILE 42 1HG2 ILE 42 14.200 10.024 10.210 1209 2HG2 ILE 42 2HG2 ILE 42 14.055 11.564 11.089 1210 3HG2 ILE 42 3HG2 ILE 42 15.663 10.923 10.678 1211 1HD1 ILE 42 1HD1 ILE 42 13.995 7.926 10.861 1212 2HD1 ILE 42 2HD1 ILE 42 15.407 6.850 10.994 1213 3HD1 ILE 42 3HD1 ILE 42 14.210 6.915 12.310 1214 H GLU 43 H GLU 43 16.105 13.228 13.360 1215 HA GLU 43 HA GLU 43 13.949 14.491 14.577 1216 1HB GLU 43 1HB GLU 43 16.538 15.184 13.795 1217 2HB GLU 43 2HB GLU 43 15.543 16.188 12.758 1218 1HG GLU 43 1HG GLU 43 14.339 17.098 14.706 1219 2HG GLU 43 2HG GLU 43 15.174 15.998 15.784 1220 HA PRO 44 HA PRO 44 12.656 15.562 10.138 1221 1HB PRO 44 1HB PRO 44 13.871 14.327 8.024 1222 2HB PRO 44 2HB PRO 44 14.344 15.909 8.611 1223 1HG PRO 44 1HG PRO 44 15.714 13.314 8.967 1224 2HG PRO 44 2HG PRO 44 16.359 14.932 9.164 1225 1HD PRO 44 1HD PRO 44 15.592 13.124 11.255 1226 2HD PRO 44 2HD PRO 44 16.127 14.782 11.446 1227 H MET 45 H MET 45 11.384 13.953 11.695 1228 HA MET 45 HA MET 45 10.480 11.903 9.826 1229 1HB MET 45 1HB MET 45 11.837 11.194 11.995 1230 2HB MET 45 2HB MET 45 10.369 11.601 12.861 1231 1HG MET 45 1HG MET 45 9.436 9.613 12.285 1232 2HG MET 45 2HG MET 45 9.631 9.981 10.583 1233 1HE MET 45 1HE MET 45 10.744 6.507 10.817 1234 2HE MET 45 2HE MET 45 9.618 7.758 10.239 1235 3HE MET 45 3HE MET 45 11.158 7.486 9.390 1236 H LYS 46 H LYS 46 8.821 13.409 9.100 1237 HA LYS 46 HA LYS 46 7.147 14.908 10.562 1238 1HB LYS 46 1HB LYS 46 6.603 13.224 8.111 1239 2HB LYS 46 2HB LYS 46 5.409 14.321 8.775 1240 1HG LYS 46 1HG LYS 46 7.790 15.847 8.693 1241 2HG LYS 46 2HG LYS 46 7.815 14.926 7.202 1242 1HD LYS 46 1HD LYS 46 5.121 15.898 7.614 1243 2HD LYS 46 2HD LYS 46 6.225 17.241 7.834 1244 1HE LYS 46 1HE LYS 46 5.687 17.177 5.481 1245 2HE LYS 46 2HE LYS 46 7.335 16.599 5.629 1246 1HZ LYS 46 1HZ LYS 46 5.151 14.677 5.708 1247 2HZ LYS 46 2HZ LYS 46 5.634 15.275 4.268 1248 3HZ LYS 46 3HZ LYS 46 6.692 14.465 5.212 1249 H ALA 47 H ALA 47 5.631 11.888 9.388 1250 HA ALA 47 HA ALA 47 5.051 11.124 12.141 1251 1HB ALA 47 1HB ALA 47 2.601 10.755 11.081 1252 2HB ALA 47 2HB ALA 47 3.075 12.266 11.894 1253 3HB ALA 47 3HB ALA 47 3.110 12.163 10.117 1254 H PHE 48 H PHE 48 4.795 8.886 12.399 1255 HA PHE 48 HA PHE 48 5.467 7.361 10.001 1256 1HB PHE 48 1HB PHE 48 6.965 7.065 11.921 1257 2HB PHE 48 2HB PHE 48 5.617 6.965 13.038 1258 HD1 PHE 48 HD1 PHE 48 6.361 5.168 9.846 1259 HD2 PHE 48 HD2 PHE 48 5.605 4.877 14.011 1260 HE1 PHE 48 HE1 PHE 48 6.410 2.664 9.680 1261 HE2 PHE 48 HE2 PHE 48 5.654 2.373 13.846 1262 HZ PHE 48 HZ PHE 48 6.055 1.296 11.682 1263 H HIS 49 H HIS 49 3.842 6.323 8.958 1264 HA HIS 49 HA HIS 49 1.457 5.703 10.523 1265 1HB HIS 49 1HB HIS 49 1.915 6.754 7.883 1266 2HB HIS 49 2HB HIS 49 1.032 5.246 7.752 1267 HD1 HIS 49 HD1 HIS 49 0.274 8.625 7.777 1268 HD2 HIS 49 HD2 HIS 49 -1.148 5.421 10.080 1269 HE1 HIS 49 HE1 HIS 49 -1.992 9.355 8.696 1270 HE2 HIS 49 HE2 HIS 49 -2.841 7.325 10.057 1271 H TRP 50 H TRP 50 0.873 3.611 10.947 1272 HA TRP 50 HA TRP 50 2.153 1.509 9.373 1273 1HB TRP 50 1HB TRP 50 3.273 0.546 11.049 1274 2HB TRP 50 2HB TRP 50 3.288 2.170 11.707 1275 HD1 TRP 50 HD1 TRP 50 1.547 2.647 13.797 1276 HE1 TRP 50 HE1 TRP 50 0.410 1.097 15.605 1277 HE3 TRP 50 HE3 TRP 50 2.331 -1.719 11.310 1278 HZ2 TRP 50 HZ2 TRP 50 -0.024 -1.718 15.788 1279 HZ3 TRP 50 HZ3 TRP 50 1.519 -3.822 12.373 1280 HH2 TRP 50 HH2 TRP 50 0.377 -3.869 14.534 1281 H GLY 51 H GLY 51 1.021 -0.679 9.990 1282 1HA GLY 51 1HA GLY 51 -1.394 -0.828 11.313 1283 2HA GLY 51 2HA GLY 51 -1.786 -0.294 9.691 1284 H LYS 52 H LYS 52 -2.843 -2.677 10.271 1285 HA LYS 52 HA LYS 52 -0.997 -4.604 9.040 1286 1HB LYS 52 1HB LYS 52 -2.292 -6.353 10.277 1287 2HB LYS 52 2HB LYS 52 -1.337 -5.292 11.293 1288 1HG LYS 52 1HG LYS 52 -3.380 -3.910 11.757 1289 2HG LYS 52 2HG LYS 52 -4.331 -4.989 10.755 1290 1HD LYS 52 1HD LYS 52 -2.815 -5.801 13.282 1291 2HD LYS 52 2HD LYS 52 -4.546 -5.549 13.176 1292 1HE LYS 52 1HE LYS 52 -4.321 -7.341 11.171 1293 2HE LYS 52 2HE LYS 52 -2.882 -7.801 12.057 1294 1HZ LYS 52 1HZ LYS 52 -5.649 -8.004 12.852 1295 2HZ LYS 52 2HZ LYS 52 -4.407 -9.024 13.137 1296 3HZ LYS 52 3HZ LYS 52 -4.574 -7.671 14.035 1297 H ASP 53 H ASP 53 -1.591 -5.346 7.071 1298 HA ASP 53 HA ASP 53 -3.934 -4.349 5.912 1299 1HB ASP 53 1HB ASP 53 -2.723 -4.875 4.072 1300 2HB ASP 53 2HB ASP 53 -1.542 -5.682 5.084 1301 H VAL 54 H VAL 54 -5.886 -5.525 5.327 1302 HA VAL 54 HA VAL 54 -6.422 -7.778 7.050 1303 HB VAL 54 HB VAL 54 -8.716 -7.492 6.261 1304 1HG1 VAL 54 1HG1 VAL 54 -9.149 -5.331 7.266 1305 2HG1 VAL 54 2HG1 VAL 54 -7.824 -6.129 8.146 1306 3HG1 VAL 54 3HG1 VAL 54 -7.465 -4.824 6.991 1307 1HG2 VAL 54 1HG2 VAL 54 -8.839 -5.132 4.870 1308 2HG2 VAL 54 2HG2 VAL 54 -7.386 -5.889 4.175 1309 3HG2 VAL 54 3HG2 VAL 54 -8.941 -6.754 4.144 1310 H SER 55 H SER 55 -5.998 -9.831 6.442 1311 HA SER 55 HA SER 55 -5.824 -10.318 3.584 1312 1HB SER 55 1HB SER 55 -4.473 -12.261 4.141 1313 2HB SER 55 2HB SER 55 -3.846 -10.880 5.019 1314 HG SER 55 HG SER 55 -4.125 -12.016 6.802 1315 H ILE 56 H ILE 56 -6.622 -12.580 2.863 1316 HA ILE 56 HA ILE 56 -9.241 -12.982 4.064 1317 HB ILE 56 HB ILE 56 -8.910 -12.579 1.612 1318 1HG1 ILE 56 1HG1 ILE 56 -10.399 -14.681 1.026 1319 2HG1 ILE 56 2HG1 ILE 56 -10.397 -14.917 2.762 1320 1HG2 ILE 56 1HG2 ILE 56 -7.377 -15.123 1.896 1321 2HG2 ILE 56 2HG2 ILE 56 -8.362 -14.893 0.432 1322 3HG2 ILE 56 3HG2 ILE 56 -7.091 -13.717 0.843 1323 1HD1 ILE 56 1HD1 ILE 56 -11.118 -12.476 3.008 1324 2HD1 ILE 56 2HD1 ILE 56 -11.335 -12.447 1.242 1325 3HD1 ILE 56 3HD1 ILE 56 -12.316 -13.546 2.241 1326 H GLU 57 H GLU 57 -6.365 -13.906 5.027 1327 HA GLU 57 HA GLU 57 -5.453 -15.661 5.940 1328 1HB GLU 57 1HB GLU 57 -8.286 -15.697 6.721 1329 2HB GLU 57 2HB GLU 57 -7.567 -17.292 6.824 1330 1HG GLU 57 1HG GLU 57 -6.341 -16.724 8.654 1331 2HG GLU 57 2HG GLU 57 -5.731 -15.272 7.885 1332 H ASN 58 H ASN 58 -5.011 -16.132 3.458 1333 HA ASN 58 HA ASN 58 -4.894 -18.803 3.131 1334 1HB ASN 58 1HB ASN 58 -7.568 -17.908 2.587 1335 2HB ASN 58 2HB ASN 58 -6.849 -18.264 1.029 1336 1HD2 ASN 58 1HD2 ASN 58 -8.389 -19.978 0.912 1337 2HD2 ASN 58 2HD2 ASN 58 -8.090 -21.505 1.672 1338 H LEU 59 H LEU 59 -5.449 -15.582 1.670 1339 HA LEU 59 HA LEU 59 -3.421 -16.234 -0.353 1340 1HB LEU 59 1HB LEU 59 -6.122 -15.462 -0.743 1341 2HB LEU 59 2HB LEU 59 -5.126 -14.094 -1.199 1342 HG LEU 59 HG LEU 59 -3.796 -15.672 -2.670 1343 1HD1 LEU 59 1HD1 LEU 59 -5.387 -17.698 -3.344 1344 2HD1 LEU 59 2HD1 LEU 59 -4.154 -17.836 -2.067 1345 3HD1 LEU 59 3HD1 LEU 59 -5.857 -17.557 -1.633 1346 1HD2 LEU 59 1HD2 LEU 59 -6.438 -14.531 -3.076 1347 2HD2 LEU 59 2HD2 LEU 59 -5.021 -14.556 -4.153 1348 3HD2 LEU 59 3HD2 LEU 59 -6.149 -15.933 -4.135 1349 H HIS 60 H HIS 60 -1.926 -15.532 1.407 1350 HA HIS 60 HA HIS 60 -1.682 -12.632 1.289 1351 1HB HIS 60 1HB HIS 60 -1.504 -12.317 3.566 1352 2HB HIS 60 2HB HIS 60 -2.797 -13.495 3.459 1353 HD1 HIS 60 HD1 HIS 60 0.613 -12.982 4.831 1354 HD2 HIS 60 HD2 HIS 60 -2.024 -16.186 4.221 1355 HE1 HIS 60 HE1 HIS 60 1.500 -14.916 6.240 1356 HE2 HIS 60 HE2 HIS 60 -0.191 -16.838 5.867 1357 H GLN 61 H GLN 61 0.428 -11.920 1.017 1358 HA GLN 61 HA GLN 61 2.369 -14.079 0.813 1359 1HB GLN 61 1HB GLN 61 1.751 -11.727 -0.818 1360 2HB GLN 61 2HB GLN 61 3.447 -11.751 -0.377 1361 1HG GLN 61 1HG GLN 61 2.937 -12.992 -2.520 1362 2HG GLN 61 2HG GLN 61 3.755 -13.970 -1.317 1363 1HE2 GLN 61 1HE2 GLN 61 1.000 -13.562 -3.264 1364 2HE2 GLN 61 2HE2 GLN 61 0.059 -14.912 -2.722 1365 H GLY 62 H GLY 62 1.349 -11.969 3.080 1366 1HA GLY 62 1HA GLY 62 2.584 -11.725 5.084 1367 2HA GLY 62 2HA GLY 62 4.067 -11.609 4.158 1368 H TYR 63 H TYR 63 1.717 -9.898 2.436 1369 HA TYR 63 HA TYR 63 2.915 -7.423 2.893 1370 1HB TYR 63 1HB TYR 63 0.115 -8.263 1.913 1371 2HB TYR 63 2HB TYR 63 0.808 -6.679 1.629 1372 HD1 TYR 63 HD1 TYR 63 3.681 -7.732 1.058 1373 HD2 TYR 63 HD2 TYR 63 -0.183 -8.854 -0.397 1374 HE1 TYR 63 HE1 TYR 63 4.731 -8.583 -1.096 1375 HE2 TYR 63 HE2 TYR 63 0.880 -9.701 -2.545 1376 HH TYR 63 HH TYR 63 4.139 -10.276 -2.838 1377 H THR 64 H THR 64 0.593 -9.201 4.776 1378 HA THR 64 HA THR 64 -1.115 -7.448 5.841 1379 HB THR 64 HB THR 64 -0.866 -8.797 7.943 1380 HG1 THR 64 HG1 THR 64 1.446 -9.807 6.443 1381 1HG2 THR 64 1HG2 THR 64 -1.746 -10.641 6.915 1382 2HG2 THR 64 2HG2 THR 64 -1.363 -9.870 5.356 1383 3HG2 THR 64 3HG2 THR 64 -0.195 -10.983 6.110 1384 H HIS 65 H HIS 65 2.412 -7.338 6.209 1385 HA HIS 65 HA HIS 65 2.026 -4.985 7.911 1386 1HB HIS 65 1HB HIS 65 4.313 -6.960 7.753 1387 2HB HIS 65 2HB HIS 65 4.433 -5.423 8.586 1388 HD1 HIS 65 HD1 HIS 65 2.516 -8.710 8.740 1389 HD2 HIS 65 HD2 HIS 65 3.344 -5.369 11.137 1390 HE1 HIS 65 HE1 HIS 65 1.650 -9.272 11.074 1391 HE2 HIS 65 HE2 HIS 65 2.236 -7.204 12.514 1392 H ILE 66 H ILE 66 2.416 -3.055 6.955 1393 HA ILE 66 HA ILE 66 4.445 -2.981 4.857 1394 HB ILE 66 HB ILE 66 3.031 -1.694 3.396 1395 1HG1 ILE 66 1HG1 ILE 66 0.436 -2.156 4.539 1396 2HG1 ILE 66 2HG1 ILE 66 1.430 -1.324 5.718 1397 1HG2 ILE 66 1HG2 ILE 66 2.127 -3.504 2.421 1398 2HG2 ILE 66 2HG2 ILE 66 2.920 -4.389 3.747 1399 3HG2 ILE 66 3HG2 ILE 66 1.198 -3.956 3.871 1400 1HD1 ILE 66 1HD1 ILE 66 0.686 0.515 4.526 1401 2HD1 ILE 66 2HD1 ILE 66 2.125 0.131 3.550 1402 3HD1 ILE 66 3HD1 ILE 66 0.515 -0.405 3.012 1403 H PHE 67 H PHE 67 5.778 -1.220 5.012 1404 HA PHE 67 HA PHE 67 5.105 0.648 7.158 1405 1HB PHE 67 1HB PHE 67 7.682 -0.100 5.651 1406 2HB PHE 67 2HB PHE 67 7.631 1.117 6.911 1407 HD1 PHE 67 HD1 PHE 67 8.075 -2.329 6.203 1408 HD2 PHE 67 HD2 PHE 67 6.800 0.349 9.238 1409 HE1 PHE 67 HE1 PHE 67 8.469 -4.103 7.934 1410 HE2 PHE 67 HE2 PHE 67 7.194 -1.425 10.969 1411 HZ PHE 67 HZ PHE 67 8.024 -3.630 10.297 1412 H GLU 68 H GLU 68 4.686 2.779 6.740 1413 HA GLU 68 HA GLU 68 5.402 3.713 4.074 1414 1HB GLU 68 1HB GLU 68 3.005 3.293 4.053 1415 2HB GLU 68 2HB GLU 68 2.783 4.143 5.569 1416 1HG GLU 68 1HG GLU 68 4.125 5.745 3.443 1417 2HG GLU 68 2HG GLU 68 2.476 5.284 3.070 1418 H SER 69 H SER 69 6.293 5.794 3.968 1419 HA SER 69 HA SER 69 6.430 7.173 6.534 1420 1HB SER 69 1HB SER 69 8.595 6.039 5.744 1421 2HB SER 69 2HB SER 69 8.619 7.183 4.417 1422 HG SER 69 HG SER 69 9.006 7.636 7.211 1423 H THR 70 H THR 70 5.993 9.400 6.490 1424 HA THR 70 HA THR 70 5.071 10.421 3.910 1425 HB THR 70 HB THR 70 4.737 11.534 6.744 1426 HG1 THR 70 HG1 THR 70 3.769 9.433 6.566 1427 1HG2 THR 70 1HG2 THR 70 3.089 11.888 4.184 1428 2HG2 THR 70 2HG2 THR 70 2.743 12.628 5.766 1429 3HG2 THR 70 3HG2 THR 70 4.189 13.119 4.851 1430 H PHE 71 H PHE 71 6.096 11.946 2.754 1431 HA PHE 71 HA PHE 71 8.251 13.384 4.126 1432 1HB PHE 71 1HB PHE 71 8.201 12.223 1.276 1433 2HB PHE 71 2HB PHE 71 9.557 13.072 1.992 1434 HD1 PHE 71 HD1 PHE 71 8.489 9.953 1.112 1435 HD2 PHE 71 HD2 PHE 71 10.173 11.965 4.447 1436 HE1 PHE 71 HE1 PHE 71 9.402 7.776 1.963 1437 HE2 PHE 71 HE2 PHE 71 11.087 9.787 5.299 1438 HZ PHE 71 HZ PHE 71 10.690 7.719 4.047 1439 H GLU 72 H GLU 72 9.033 15.287 2.591 1440 HA GLU 72 HA GLU 72 7.077 16.286 0.826 1441 1HB GLU 72 1HB GLU 72 6.909 17.051 3.659 1442 2HB GLU 72 2HB GLU 72 7.121 18.448 2.624 1443 1HG GLU 72 1HG GLU 72 5.047 18.222 1.661 1444 2HG GLU 72 2HG GLU 72 5.164 16.475 1.572 1445 H SER 73 H SER 73 9.281 16.013 -0.251 1446 HA SER 73 HA SER 73 10.401 18.476 -0.669 1447 1HB SER 73 1HB SER 73 11.372 18.268 1.594 1448 2HB SER 73 2HB SER 73 12.077 16.719 1.178 1449 HG SER 73 HG SER 73 13.005 18.260 -0.717 1450 H LYS 74 H LYS 74 10.680 14.925 -0.593 1451 HA LYS 74 HA LYS 74 11.240 13.470 -2.162 1452 1HB LYS 74 1HB LYS 74 9.996 14.795 -3.757 1453 2HB LYS 74 2HB LYS 74 11.339 15.900 -3.970 1454 1HG LYS 74 1HG LYS 74 11.851 14.552 -5.753 1455 2HG LYS 74 2HG LYS 74 12.604 13.542 -4.536 1456 1HD LYS 74 1HD LYS 74 10.356 12.337 -4.280 1457 2HD LYS 74 2HD LYS 74 9.787 13.240 -5.670 1458 1HE LYS 74 1HE LYS 74 11.616 12.286 -7.065 1459 2HE LYS 74 2HE LYS 74 12.246 11.423 -5.676 1460 1HZ LYS 74 1HZ LYS 74 10.079 10.744 -7.347 1461 2HZ LYS 74 2HZ LYS 74 10.877 9.817 -6.265 1462 3HZ LYS 74 3HZ LYS 74 9.621 10.742 -5.780 1463 H GLU 75 H GLU 75 13.288 16.434 -2.667 1464 HA GLU 75 HA GLU 75 15.574 14.906 -3.160 1465 1HB GLU 75 1HB GLU 75 15.229 17.824 -2.345 1466 2HB GLU 75 2HB GLU 75 16.763 17.130 -2.831 1467 1HG GLU 75 1HG GLU 75 15.742 16.461 -5.032 1468 2HG GLU 75 2HG GLU 75 14.234 17.209 -4.544 1469 H ALA 76 H ALA 76 14.004 16.114 -0.223 1470 HA ALA 76 HA ALA 76 16.309 15.791 1.433 1471 1HB ALA 76 1HB ALA 76 14.231 17.331 1.729 1472 2HB ALA 76 2HB ALA 76 13.433 15.875 2.371 1473 3HB ALA 76 3HB ALA 76 14.891 16.515 3.167 1474 H VAL 77 H VAL 77 13.605 13.790 0.280 1475 HA VAL 77 HA VAL 77 13.562 11.820 2.179 1476 HB VAL 77 HB VAL 77 12.299 12.285 -0.124 1477 1HG1 VAL 77 1HG1 VAL 77 12.864 10.892 -1.902 1478 2HG1 VAL 77 2HG1 VAL 77 14.455 11.437 -1.317 1479 3HG1 VAL 77 3HG1 VAL 77 13.854 9.819 -0.883 1480 1HG2 VAL 77 1HG2 VAL 77 11.793 9.591 0.146 1481 2HG2 VAL 77 2HG2 VAL 77 12.462 10.015 1.740 1482 3HG2 VAL 77 3HG2 VAL 77 11.043 10.886 1.110 1483 H ALA 78 H ALA 78 15.979 12.501 -0.354 1484 HA ALA 78 HA ALA 78 17.292 10.057 -0.346 1485 1HB ALA 78 1HB ALA 78 18.491 11.175 -1.881 1486 2HB ALA 78 2HB ALA 78 17.603 12.656 -1.451 1487 3HB ALA 78 3HB ALA 78 19.134 12.267 -0.631 1488 H GLU 79 H GLU 79 17.533 12.912 1.833 1489 HA GLU 79 HA GLU 79 19.769 11.946 3.205 1490 1HB GLU 79 1HB GLU 79 17.667 14.051 3.741 1491 2HB GLU 79 2HB GLU 79 18.788 13.619 5.016 1492 1HG GLU 79 1HG GLU 79 19.740 14.357 2.217 1493 2HG GLU 79 2HG GLU 79 19.475 15.569 3.455 1494 H TYR 80 H TYR 80 16.217 11.622 3.665 1495 HA TYR 80 HA TYR 80 16.424 10.349 6.192 1496 1HB TYR 80 1HB TYR 80 14.252 10.134 4.024 1497 2HB TYR 80 2HB TYR 80 14.006 10.003 5.754 1498 HD1 TYR 80 HD1 TYR 80 16.058 12.503 6.119 1499 HD2 TYR 80 HD2 TYR 80 12.402 11.815 4.007 1500 HE1 TYR 80 HE1 TYR 80 15.520 14.985 6.229 1501 HE2 TYR 80 HE2 TYR 80 11.876 14.299 4.123 1502 HH TYR 80 HH TYR 80 12.562 16.207 5.776 1503 H ILE 81 H ILE 81 16.147 9.215 2.777 1504 HA ILE 81 HA ILE 81 15.938 6.481 3.559 1505 HB ILE 81 HB ILE 81 15.251 7.861 1.363 1506 1HG1 ILE 81 1HG1 ILE 81 15.841 5.083 0.670 1507 2HG1 ILE 81 2HG1 ILE 81 15.123 5.228 2.261 1508 1HG2 ILE 81 1HG2 ILE 81 16.664 7.342 -0.507 1509 2HG2 ILE 81 2HG2 ILE 81 17.636 8.185 0.723 1510 3HG2 ILE 81 3HG2 ILE 81 17.782 6.422 0.529 1511 1HD1 ILE 81 1HD1 ILE 81 13.161 5.240 1.063 1512 2HD1 ILE 81 2HD1 ILE 81 13.528 6.973 0.893 1513 3HD1 ILE 81 3HD1 ILE 81 13.950 5.842 -0.415 1514 H ALA 82 H ALA 82 18.515 8.800 3.195 1515 HA ALA 82 HA ALA 82 20.474 6.625 3.037 1516 1HB ALA 82 1HB ALA 82 22.025 8.296 2.279 1517 2HB ALA 82 2HB ALA 82 20.511 8.553 1.378 1518 3HB ALA 82 3HB ALA 82 20.926 9.617 2.743 1519 H HIS 83 H HIS 83 19.028 6.806 5.441 1520 HA HIS 83 HA HIS 83 20.867 8.235 7.206 1521 1HB HIS 83 1HB HIS 83 18.183 8.385 7.140 1522 2HB HIS 83 2HB HIS 83 18.345 7.024 8.232 1523 HD1 HIS 83 HD1 HIS 83 18.763 7.572 10.648 1524 HD2 HIS 83 HD2 HIS 83 19.692 10.773 8.101 1525 HE1 HIS 83 HE1 HIS 83 19.333 9.547 12.160 1526 HE2 HIS 83 HE2 HIS 83 19.948 11.468 10.539 1527 HA PRO 84 HA PRO 84 22.467 4.435 8.521 1528 1HB PRO 84 1HB PRO 84 23.602 5.161 10.899 1529 2HB PRO 84 2HB PRO 84 24.365 5.443 9.347 1530 1HG PRO 84 1HG PRO 84 23.019 7.379 11.129 1531 2HG PRO 84 2HG PRO 84 24.137 7.689 9.816 1532 1HD PRO 84 1HD PRO 84 21.288 8.024 9.761 1533 2HD PRO 84 2HD PRO 84 22.393 8.223 8.415 1534 H ALA 85 H ALA 85 20.436 6.187 10.749 1535 HA ALA 85 HA ALA 85 20.013 4.068 12.518 1536 1HB ALA 85 1HB ALA 85 19.346 6.711 12.396 1537 2HB ALA 85 2HB ALA 85 17.777 5.961 12.018 1538 3HB ALA 85 3HB ALA 85 18.615 5.554 13.534 1539 H HIS 86 H HIS 86 18.260 5.128 9.533 1540 HA HIS 86 HA HIS 86 16.347 3.054 9.755 1541 1HB HIS 86 1HB HIS 86 15.438 4.702 8.516 1542 2HB HIS 86 2HB HIS 86 16.984 5.259 7.909 1543 HD1 HIS 86 HD1 HIS 86 13.996 4.051 6.594 1544 HD2 HIS 86 HD2 HIS 86 17.995 2.933 6.000 1545 HE1 HIS 86 HE1 HIS 86 14.073 2.834 4.352 1546 HE2 HIS 86 HE2 HIS 86 16.564 2.220 4.016 1547 H VAL 87 H VAL 87 19.509 3.477 8.131 1548 HA VAL 87 HA VAL 87 19.324 1.190 6.511 1549 HB VAL 87 HB VAL 87 21.452 3.036 7.478 1550 1HG1 VAL 87 1HG1 VAL 87 22.970 1.448 5.919 1551 2HG1 VAL 87 2HG1 VAL 87 22.890 1.287 7.690 1552 3HG1 VAL 87 3HG1 VAL 87 21.918 0.215 6.654 1553 1HG2 VAL 87 1HG2 VAL 87 19.881 3.150 5.341 1554 2HG2 VAL 87 2HG2 VAL 87 21.574 3.698 5.281 1555 3HG2 VAL 87 3HG2 VAL 87 21.136 2.091 4.654 1556 H GLU 88 H GLU 88 20.741 1.776 9.794 1557 HA GLU 88 HA GLU 88 21.622 -0.845 10.099 1558 1HB GLU 88 1HB GLU 88 22.062 1.434 11.455 1559 2HB GLU 88 2HB GLU 88 20.807 0.788 12.494 1560 1HG GLU 88 1HG GLU 88 22.269 -0.669 13.431 1561 2HG GLU 88 2HG GLU 88 22.642 -1.357 11.863 1562 H PHE 89 H PHE 89 18.528 0.814 10.857 1563 HA PHE 89 HA PHE 89 17.442 -1.323 12.339 1564 1HB PHE 89 1HB PHE 89 16.652 1.054 12.406 1565 2HB PHE 89 2HB PHE 89 16.276 1.001 10.695 1566 HD1 PHE 89 HD1 PHE 89 14.365 -0.399 9.900 1567 HD2 PHE 89 HD2 PHE 89 15.113 0.243 14.028 1568 HE1 PHE 89 HE1 PHE 89 12.024 -1.127 10.438 1569 HE2 PHE 89 HE2 PHE 89 12.772 -0.486 14.565 1570 HZ PHE 89 HZ PHE 89 11.255 -1.162 12.764 1571 H ALA 90 H ALA 90 17.366 -0.378 8.863 1572 HA ALA 90 HA ALA 90 15.490 -2.418 8.186 1573 1HB ALA 90 1HB ALA 90 15.656 -1.545 6.024 1574 2HB ALA 90 2HB ALA 90 16.060 -0.131 7.027 1575 3HB ALA 90 3HB ALA 90 17.356 -1.063 6.238 1576 H THR 91 H THR 91 19.028 -2.093 8.430 1577 HA THR 91 HA THR 91 19.736 -4.307 6.874 1578 HB THR 91 HB THR 91 20.986 -2.765 9.187 1579 HG1 THR 91 HG1 THR 91 21.536 -3.254 6.343 1580 1HG2 THR 91 1HG2 THR 91 22.476 -4.771 7.446 1581 2HG2 THR 91 2HG2 THR 91 23.030 -3.978 8.941 1582 3HG2 THR 91 3HG2 THR 91 21.799 -5.262 9.017 1583 H ILE 92 H ILE 92 18.891 -4.041 10.372 1584 HA ILE 92 HA ILE 92 19.412 -6.758 10.896 1585 HB ILE 92 HB ILE 92 18.025 -4.509 12.283 1586 1HG1 ILE 92 1HG1 ILE 92 20.229 -6.352 13.234 1587 2HG1 ILE 92 2HG1 ILE 92 20.537 -4.908 12.289 1588 1HG2 ILE 92 1HG2 ILE 92 17.876 -6.436 14.179 1589 2HG2 ILE 92 2HG2 ILE 92 16.518 -5.947 13.136 1590 3HG2 ILE 92 3HG2 ILE 92 17.485 -7.383 12.723 1591 1HD1 ILE 92 1HD1 ILE 92 19.095 -5.007 14.980 1592 2HD1 ILE 92 2HD1 ILE 92 20.744 -4.402 14.689 1593 3HD1 ILE 92 3HD1 ILE 92 19.345 -3.534 14.012 1594 H PHE 93 H PHE 93 16.570 -4.933 9.718 1595 HA PHE 93 HA PHE 93 14.740 -7.045 10.054 1596 1HB PHE 93 1HB PHE 93 14.554 -4.412 9.554 1597 2HB PHE 93 2HB PHE 93 14.666 -4.901 7.875 1598 HD1 PHE 93 HD1 PHE 93 12.743 -5.832 10.944 1599 HD2 PHE 93 HD2 PHE 93 12.690 -5.234 6.743 1600 HE1 PHE 93 HE1 PHE 93 10.274 -6.284 10.911 1601 HE2 PHE 93 HE2 PHE 93 10.221 -5.686 6.710 1602 HZ PHE 93 HZ PHE 93 9.043 -6.205 8.794 1603 H LEU 94 H LEU 94 16.660 -5.859 7.211 1604 HA LEU 94 HA LEU 94 15.643 -7.669 5.375 1605 1HB LEU 94 1HB LEU 94 17.115 -6.754 3.963 1606 2HB LEU 94 2HB LEU 94 17.257 -5.561 5.240 1607 HG LEU 94 HG LEU 94 19.228 -6.998 6.103 1608 1HD1 LEU 94 1HD1 LEU 94 19.560 -8.924 5.036 1609 2HD1 LEU 94 2HD1 LEU 94 18.489 -8.458 3.692 1610 3HD1 LEU 94 3HD1 LEU 94 20.196 -7.954 3.686 1611 1HD2 LEU 94 1HD2 LEU 94 20.441 -5.321 5.304 1612 2HD2 LEU 94 2HD2 LEU 94 20.271 -5.921 3.637 1613 3HD2 LEU 94 3HD2 LEU 94 19.038 -4.835 4.322 1614 H GLY 95 H GLY 95 17.933 -8.065 8.033 1615 1HA GLY 95 1HA GLY 95 19.264 -10.373 7.156 1616 2HA GLY 95 2HA GLY 95 19.037 -9.859 8.816 1617 H SER 96 H SER 96 16.195 -9.898 9.028 1618 HA SER 96 HA SER 96 15.694 -12.736 8.566 1619 1HB SER 96 1HB SER 96 14.094 -12.336 10.655 1620 2HB SER 96 2HB SER 96 15.795 -12.692 10.881 1621 HG SER 96 HG SER 96 15.873 -10.852 11.964 1622 H LEU 97 H LEU 97 15.039 -11.062 6.510 1623 HA LEU 97 HA LEU 97 12.155 -10.630 6.876 1624 1HB LEU 97 1HB LEU 97 13.192 -8.516 6.625 1625 2HB LEU 97 2HB LEU 97 14.195 -9.074 5.300 1626 HG LEU 97 HG LEU 97 11.518 -9.482 4.477 1627 1HD1 LEU 97 1HD1 LEU 97 10.884 -7.939 6.324 1628 2HD1 LEU 97 2HD1 LEU 97 11.883 -6.678 5.562 1629 3HD1 LEU 97 3HD1 LEU 97 10.468 -7.333 4.703 1630 1HD2 LEU 97 1HD2 LEU 97 12.170 -8.320 2.621 1631 2HD2 LEU 97 2HD2 LEU 97 13.073 -7.104 3.556 1632 3HD2 LEU 97 3HD2 LEU 97 13.764 -8.725 3.303 1633 H ASP 98 H ASP 98 10.789 -11.720 5.524 1634 HA ASP 98 HA ASP 98 11.881 -13.791 4.006 1635 1HB ASP 98 1HB ASP 98 9.634 -13.872 5.073 1636 2HB ASP 98 2HB ASP 98 9.074 -12.587 4.023 1637 H LYS 99 H LYS 99 9.900 -10.861 3.090 1638 HA LYS 99 HA LYS 99 11.514 -10.526 0.717 1639 1HB LYS 99 1HB LYS 99 8.550 -11.146 0.555 1640 2HB LYS 99 2HB LYS 99 9.493 -10.478 -0.762 1641 1HG LYS 99 1HG LYS 99 11.090 -12.501 -0.443 1642 2HG LYS 99 2HG LYS 99 9.847 -13.188 0.583 1643 1HD LYS 99 1HD LYS 99 9.514 -12.381 -2.344 1644 2HD LYS 99 2HD LYS 99 9.609 -14.020 -1.733 1645 1HE LYS 99 1HE LYS 99 7.546 -12.766 -0.218 1646 2HE LYS 99 2HE LYS 99 7.293 -12.246 -1.872 1647 1HZ LYS 99 1HZ LYS 99 6.970 -14.827 -0.742 1648 2HZ LYS 99 2HZ LYS 99 6.355 -14.216 -2.126 1649 3HZ LYS 99 3HZ LYS 99 7.853 -14.867 -2.116 1650 H VAL 100 H VAL 100 11.109 -8.403 -0.316 1651 HA VAL 100 HA VAL 100 9.468 -6.577 1.215 1652 HB VAL 100 HB VAL 100 11.392 -6.392 2.530 1653 1HG1 VAL 100 1HG1 VAL 100 13.171 -6.093 0.100 1654 2HG1 VAL 100 2HG1 VAL 100 13.641 -6.382 1.792 1655 3HG1 VAL 100 3HG1 VAL 100 12.843 -7.670 0.858 1656 1HG2 VAL 100 1HG2 VAL 100 12.338 -4.142 1.947 1657 2HG2 VAL 100 2HG2 VAL 100 11.455 -4.229 0.404 1658 3HG2 VAL 100 3HG2 VAL 100 10.559 -4.215 1.942 1659 H LEU 101 H LEU 101 8.562 -5.059 -0.119 1660 HA LEU 101 HA LEU 101 9.845 -4.675 -2.724 1661 1HB LEU 101 1HB LEU 101 7.012 -5.495 -2.154 1662 2HB LEU 101 2HB LEU 101 7.411 -4.585 -3.598 1663 HG LEU 101 HG LEU 101 7.417 -6.787 -4.328 1664 1HD1 LEU 101 1HD1 LEU 101 9.539 -7.137 -5.159 1665 2HD1 LEU 101 2HD1 LEU 101 9.614 -5.420 -4.695 1666 3HD1 LEU 101 3HD1 LEU 101 10.334 -6.659 -3.640 1667 1HD2 LEU 101 1HD2 LEU 101 8.052 -8.690 -3.160 1668 2HD2 LEU 101 2HD2 LEU 101 9.147 -7.791 -2.082 1669 3HD2 LEU 101 3HD2 LEU 101 7.384 -7.643 -1.885 1670 H VAL 102 H VAL 102 10.079 -2.558 -3.264 1671 HA VAL 102 HA VAL 102 8.804 -0.639 -1.467 1672 HB VAL 102 HB VAL 102 10.509 0.900 -2.241 1673 1HG1 VAL 102 1HG1 VAL 102 11.850 0.077 -0.661 1674 2HG1 VAL 102 2HG1 VAL 102 10.962 -1.463 -0.743 1675 3HG1 VAL 102 3HG1 VAL 102 12.404 -1.212 -1.755 1676 1HG2 VAL 102 1HG2 VAL 102 11.230 0.623 -4.352 1677 2HG2 VAL 102 2HG2 VAL 102 12.384 -0.538 -3.653 1678 3HG2 VAL 102 3HG2 VAL 102 10.854 -1.117 -4.354 1679 H ILE 103 H ILE 103 6.990 0.368 -2.141 1680 HA ILE 103 HA ILE 103 6.794 1.021 -4.978 1681 HB ILE 103 HB ILE 103 4.644 -0.409 -3.410 1682 1HG1 ILE 103 1HG1 ILE 103 6.557 -1.836 -4.160 1683 2HG1 ILE 103 2HG1 ILE 103 5.002 -2.287 -4.830 1684 1HG2 ILE 103 1HG2 ILE 103 4.660 0.904 -6.122 1685 2HG2 ILE 103 2HG2 ILE 103 3.552 -0.436 -5.740 1686 3HG2 ILE 103 3HG2 ILE 103 3.486 1.070 -4.794 1687 1HD1 ILE 103 1HD1 ILE 103 5.519 -1.144 -6.946 1688 2HD1 ILE 103 2HD1 ILE 103 7.050 -0.538 -6.269 1689 3HD1 ILE 103 3HD1 ILE 103 6.828 -2.282 -6.547 1690 H ASP 104 H ASP 104 5.595 2.928 -5.403 1691 HA ASP 104 HA ASP 104 5.277 4.528 -3.016 1692 1HB ASP 104 1HB ASP 104 6.619 5.306 -5.051 1693 2HB ASP 104 2HB ASP 104 5.114 5.370 -5.946 1694 H TYR 105 H TYR 105 3.284 6.024 -2.959 1695 HA TYR 105 HA TYR 105 0.986 4.682 -4.216 1696 1HB TYR 105 1HB TYR 105 1.077 4.444 -1.742 1697 2HB TYR 105 2HB TYR 105 1.474 6.141 -1.551 1698 HD1 TYR 105 HD1 TYR 105 -0.274 7.888 -1.948 1699 HD2 TYR 105 HD2 TYR 105 -1.202 3.711 -1.971 1700 HE1 TYR 105 HE1 TYR 105 -2.743 8.427 -1.667 1701 HE2 TYR 105 HE2 TYR 105 -3.667 4.264 -1.690 1702 HH TYR 105 HH TYR 105 -5.157 5.820 -1.570 1703 H LYS 106 H LYS 106 0.265 5.895 -5.901 1704 HA LYS 106 HA LYS 106 0.053 8.781 -5.414 1705 1HB LYS 106 1HB LYS 106 1.165 7.346 -7.822 1706 2HB LYS 106 2HB LYS 106 0.460 8.943 -7.971 1707 1HG LYS 106 1HG LYS 106 2.671 8.251 -5.981 1708 2HG LYS 106 2HG LYS 106 2.972 8.930 -7.569 1709 1HD LYS 106 1HD LYS 106 0.964 10.581 -6.392 1710 2HD LYS 106 2HD LYS 106 2.138 10.285 -5.124 1711 1HE LYS 106 1HE LYS 106 2.685 11.442 -7.895 1712 2HE LYS 106 2HE LYS 106 2.833 12.272 -6.359 1713 1HZ LYS 106 1HZ LYS 106 4.945 11.634 -6.582 1714 2HZ LYS 106 2HZ LYS 106 4.432 10.212 -5.965 1715 3HZ LYS 106 3HZ LYS 106 4.616 10.382 -7.578 1716 HA PRO 107 HA PRO 107 -4.065 7.528 -6.312 1717 1HB PRO 107 1HB PRO 107 -5.298 9.699 -5.200 1718 2HB PRO 107 2HB PRO 107 -4.880 8.262 -4.288 1719 1HG PRO 107 1HG PRO 107 -3.560 10.907 -4.286 1720 2HG PRO 107 2HG PRO 107 -3.439 9.619 -3.104 1721 1HD PRO 107 1HD PRO 107 -1.494 10.308 -5.097 1722 2HD PRO 107 2HD PRO 107 -1.427 8.949 -3.991 1723 H THR 108 H THR 108 -3.680 7.589 -8.576 1724 HA THR 108 HA THR 108 -4.314 10.229 -9.705 1725 HB THR 108 HB THR 108 -2.683 7.825 -10.580 1726 HG1 THR 108 HG1 THR 108 -1.238 9.644 -10.916 1727 1HG2 THR 108 1HG2 THR 108 -4.389 9.493 -12.325 1728 2HG2 THR 108 2HG2 THR 108 -2.660 9.663 -12.709 1729 3HG2 THR 108 3HG2 THR 108 -3.424 8.056 -12.740 1730 H SER 109 H SER 109 -6.549 10.282 -9.543 1731 HA SER 109 HA SER 109 -7.958 8.024 -10.658 1732 1HB SER 109 1HB SER 109 -8.656 10.370 -8.933 1733 2HB SER 109 2HB SER 109 -9.929 9.781 -9.983 1734 HG SER 109 HG SER 109 -10.248 8.257 -8.523 1735 H VAL 110 H VAL 110 -9.553 8.305 -12.409 1736 HA VAL 110 HA VAL 110 -8.683 10.378 -14.262 1737 HB VAL 110 HB VAL 110 -10.225 7.801 -14.516 1738 1HG1 VAL 110 1HG1 VAL 110 -11.418 9.089 -16.043 1739 2HG1 VAL 110 2HG1 VAL 110 -10.006 10.085 -16.468 1740 3HG1 VAL 110 3HG1 VAL 110 -10.119 8.407 -17.051 1741 1HG2 VAL 110 1HG2 VAL 110 -8.378 7.196 -16.033 1742 2HG2 VAL 110 2HG2 VAL 110 -7.619 8.779 -15.735 1743 3HG2 VAL 110 3HG2 VAL 110 -7.788 7.608 -14.405 1744 H SER 111 H SER 111 -10.100 11.918 -15.166 1745 HA SER 111 HA SER 111 -12.177 12.683 -13.440 1746 1HB SER 111 1HB SER 111 -12.489 14.085 -15.879 1747 2HB SER 111 2HB SER 111 -11.662 14.641 -14.438 1748 HG SER 111 HG SER 111 -10.586 14.080 -16.841 1749 H LEU 112 H LEU 112 -14.338 12.135 -13.488 1750 HA LEU 112 HA LEU 112 -15.205 10.209 -15.387 1751 1HB LEU 112 1HB LEU 112 -16.748 11.746 -13.293 1752 2HB LEU 112 2HB LEU 112 -17.329 10.349 -14.177 1753 HG LEU 112 HG LEU 112 -14.890 10.271 -12.388 1754 1HD1 LEU 112 1HD1 LEU 112 -17.793 9.771 -11.719 1755 2HD1 LEU 112 2HD1 LEU 112 -16.449 9.107 -10.760 1756 3HD1 LEU 112 3HD1 LEU 112 -16.642 10.869 -10.922 1757 1HD2 LEU 112 1HD2 LEU 112 -16.559 8.157 -13.753 1758 2HD2 LEU 112 2HD2 LEU 112 -14.811 8.463 -13.895 1759 3HD2 LEU 112 3HD2 LEU 112 -15.478 7.795 -12.386 Start of MODEL 17 1 1H GLY 1 1H GLY 1 -19.720 23.187 23.506 2 1HA GLY 1 1HA GLY 1 -22.407 22.738 22.561 3 2HA GLY 1 2HA GLY 1 -21.304 23.277 21.311 4 H SER 2 H SER 2 -19.966 21.792 20.329 5 HA SER 2 HA SER 2 -19.618 19.273 21.751 6 1HB SER 2 1HB SER 2 -21.338 19.009 19.974 7 2HB SER 2 2HB SER 2 -20.213 19.619 18.778 8 HG SER 2 HG SER 2 -20.409 17.074 19.902 9 H HIS 3 H HIS 3 -17.612 18.101 21.168 10 HA HIS 3 HA HIS 3 -15.518 19.969 20.554 11 1HB HIS 3 1HB HIS 3 -15.623 17.117 21.519 12 2HB HIS 3 2HB HIS 3 -14.117 17.816 20.962 13 HD1 HIS 3 HD1 HIS 3 -16.393 17.694 23.873 14 HD2 HIS 3 HD2 HIS 3 -13.213 20.092 22.554 15 HE1 HIS 3 HE1 HIS 3 -15.618 19.034 25.902 16 HE2 HIS 3 HE2 HIS 3 -13.628 20.448 25.043 17 H MET 4 H MET 4 -13.652 19.024 19.064 18 HA MET 4 HA MET 4 -14.556 19.081 16.517 19 1HB MET 4 1HB MET 4 -12.061 18.105 17.909 20 2HB MET 4 2HB MET 4 -12.234 17.654 16.224 21 1HG MET 4 1HG MET 4 -12.704 20.146 15.732 22 2HG MET 4 2HG MET 4 -12.206 20.478 17.379 23 1HE MET 4 1HE MET 4 -10.761 17.955 14.505 24 2HE MET 4 2HE MET 4 -11.377 19.509 13.894 25 3HE MET 4 3HE MET 4 -9.631 19.165 13.852 26 H GLU 5 H GLU 5 -14.498 17.377 14.773 27 HA GLU 5 HA GLU 5 -15.920 15.091 15.729 28 1HB GLU 5 1HB GLU 5 -15.897 16.621 13.355 29 2HB GLU 5 2HB GLU 5 -15.263 15.060 12.874 30 1HG GLU 5 1HG GLU 5 -17.457 14.435 12.736 31 2HG GLU 5 2HG GLU 5 -17.363 14.275 14.478 32 H GLU 6 H GLU 6 -15.345 12.844 14.788 33 HA GLU 6 HA GLU 6 -12.490 12.517 15.171 34 1HB GLU 6 1HB GLU 6 -14.912 10.804 15.607 35 2HB GLU 6 2HB GLU 6 -13.436 9.971 15.162 36 1HG GLU 6 1HG GLU 6 -12.443 10.387 17.183 37 2HG GLU 6 2HG GLU 6 -12.992 12.051 17.219 38 H ALA 7 H ALA 7 -11.166 12.127 13.449 39 HA ALA 7 HA ALA 7 -12.378 11.724 10.868 40 1HB ALA 7 1HB ALA 7 -10.601 13.072 10.478 41 2HB ALA 7 2HB ALA 7 -9.798 12.600 11.996 42 3HB ALA 7 3HB ALA 7 -9.633 11.579 10.547 43 H LYS 8 H LYS 8 -13.186 9.678 10.555 44 HA LYS 8 HA LYS 8 -11.463 7.453 11.367 45 1HB LYS 8 1HB LYS 8 -14.192 7.918 11.734 46 2HB LYS 8 2HB LYS 8 -14.135 6.755 10.424 47 1HG LYS 8 1HG LYS 8 -12.785 5.211 11.744 48 2HG LYS 8 2HG LYS 8 -12.534 6.410 12.998 49 1HD LYS 8 1HD LYS 8 -15.383 6.123 12.586 50 2HD LYS 8 2HD LYS 8 -14.693 4.521 12.751 51 1HE LYS 8 1HE LYS 8 -13.462 5.390 14.840 52 2HE LYS 8 2HE LYS 8 -14.434 6.843 14.715 53 1HZ LYS 8 1HZ LYS 8 -15.161 4.517 15.907 54 2HZ LYS 8 2HZ LYS 8 -16.146 5.775 15.569 55 3HZ LYS 8 3HZ LYS 8 -16.030 4.525 14.524 56 H GLY 9 H GLY 9 -13.650 8.449 8.635 57 1HA GLY 9 1HA GLY 9 -11.943 6.859 6.834 58 2HA GLY 9 2HA GLY 9 -13.605 7.334 6.545 59 HA PRO 10 HA PRO 10 -13.220 7.157 4.622 60 1HB PRO 10 1HB PRO 10 -12.119 7.171 2.121 61 2HB PRO 10 2HB PRO 10 -13.622 7.983 2.511 62 1HG PRO 10 1HG PRO 10 -10.948 9.155 2.049 63 2HG PRO 10 2HG PRO 10 -12.513 9.943 2.016 64 1HD PRO 10 1HD PRO 10 -10.568 10.077 4.120 65 2HD PRO 10 2HD PRO 10 -12.178 10.768 4.136 66 H VAL 11 H VAL 11 -12.465 5.029 3.644 67 HA VAL 11 HA VAL 11 -9.865 4.524 4.896 68 HB VAL 11 HB VAL 11 -12.371 2.968 4.486 69 1HG1 VAL 11 1HG1 VAL 11 -10.924 1.489 3.330 70 2HG1 VAL 11 2HG1 VAL 11 -9.595 1.759 4.484 71 3HG1 VAL 11 3HG1 VAL 11 -11.040 0.849 4.987 72 1HG2 VAL 11 1HG2 VAL 11 -11.422 4.126 6.652 73 2HG2 VAL 11 2HG2 VAL 11 -12.214 2.535 6.749 74 3HG2 VAL 11 3HG2 VAL 11 -10.438 2.646 6.761 75 H LYS 12 H LYS 12 -8.160 3.636 3.725 76 HA LYS 12 HA LYS 12 -8.625 3.547 0.831 77 1HB LYS 12 1HB LYS 12 -6.166 4.204 2.469 78 2HB LYS 12 2HB LYS 12 -6.098 3.868 0.751 79 1HG LYS 12 1HG LYS 12 -6.412 6.153 0.616 80 2HG LYS 12 2HG LYS 12 -8.098 5.681 0.689 81 1HD LYS 12 1HD LYS 12 -8.330 6.909 2.579 82 2HD LYS 12 2HD LYS 12 -7.237 5.813 3.399 83 1HE LYS 12 1HE LYS 12 -5.292 7.158 2.750 84 2HE LYS 12 2HE LYS 12 -6.276 8.169 1.711 85 1HZ LYS 12 1HZ LYS 12 -6.478 7.972 4.634 86 2HZ LYS 12 2HZ LYS 12 -5.942 9.253 3.775 87 3HZ LYS 12 3HZ LYS 12 -7.516 8.823 3.705 88 H HIS 13 H HIS 13 -8.294 1.670 -0.293 89 HA HIS 13 HA HIS 13 -7.300 -0.571 1.311 90 1HB HIS 13 1HB HIS 13 -9.773 -0.338 0.223 91 2HB HIS 13 2HB HIS 13 -8.931 -1.101 -1.112 92 HD1 HIS 13 HD1 HIS 13 -9.898 -1.701 2.507 93 HD2 HIS 13 HD2 HIS 13 -8.304 -3.801 -0.755 94 HE1 HIS 13 HE1 HIS 13 -9.912 -4.165 3.168 95 HE2 HIS 13 HE2 HIS 13 -8.973 -5.411 1.104 96 H VAL 14 H VAL 14 -5.353 -1.373 0.714 97 HA VAL 14 HA VAL 14 -4.378 -0.622 -1.940 98 HB VAL 14 HB VAL 14 -2.980 -1.540 0.578 99 1HG1 VAL 14 1HG1 VAL 14 -1.815 -0.817 -2.132 100 2HG1 VAL 14 2HG1 VAL 14 -0.872 -1.052 -0.640 101 3HG1 VAL 14 3HG1 VAL 14 -1.779 -2.413 -1.344 102 1HG2 VAL 14 1HG2 VAL 14 -3.971 0.876 0.262 103 2HG2 VAL 14 2HG2 VAL 14 -2.338 0.652 0.935 104 3HG2 VAL 14 3HG2 VAL 14 -2.542 1.106 -0.774 105 H LEU 15 H LEU 15 -4.417 -2.114 -3.534 106 HA LEU 15 HA LEU 15 -4.151 -4.918 -2.741 107 1HB LEU 15 1HB LEU 15 -6.170 -5.477 -3.408 108 2HB LEU 15 2HB LEU 15 -6.555 -3.771 -3.512 109 HG LEU 15 HG LEU 15 -5.495 -4.005 -5.930 110 1HD1 LEU 15 1HD1 LEU 15 -6.592 -6.796 -5.574 111 2HD1 LEU 15 2HD1 LEU 15 -5.717 -6.110 -6.964 112 3HD1 LEU 15 3HD1 LEU 15 -4.859 -6.417 -5.435 113 1HD2 LEU 15 1HD2 LEU 15 -7.761 -3.265 -5.481 114 2HD2 LEU 15 2HD2 LEU 15 -7.752 -4.440 -6.819 115 3HD2 LEU 15 3HD2 LEU 15 -8.282 -4.944 -5.196 116 H LEU 16 H LEU 16 -2.921 -6.177 -4.151 117 HA LEU 16 HA LEU 16 -1.846 -4.715 -6.462 118 1HB LEU 16 1HB LEU 16 -0.045 -4.681 -5.058 119 2HB LEU 16 2HB LEU 16 -0.475 -6.184 -4.266 120 HG LEU 16 HG LEU 16 1.594 -6.340 -5.605 121 1HD1 LEU 16 1HD1 LEU 16 1.212 -8.506 -6.022 122 2HD1 LEU 16 2HD1 LEU 16 -0.416 -8.185 -5.378 123 3HD1 LEU 16 3HD1 LEU 16 -0.134 -8.160 -7.135 124 1HD2 LEU 16 1HD2 LEU 16 -0.169 -5.253 -7.706 125 2HD2 LEU 16 2HD2 LEU 16 1.594 -5.127 -7.495 126 3HD2 LEU 16 3HD2 LEU 16 0.886 -6.591 -8.220 127 H ALA 17 H ALA 17 -1.914 -5.770 -8.407 128 HA ALA 17 HA ALA 17 -2.452 -8.641 -8.349 129 1HB ALA 17 1HB ALA 17 -4.286 -8.380 -9.945 130 2HB ALA 17 2HB ALA 17 -4.634 -7.439 -8.474 131 3HB ALA 17 3HB ALA 17 -4.068 -6.614 -9.945 132 H SER 18 H SER 18 -1.576 -9.764 -10.126 133 HA SER 18 HA SER 18 -0.113 -8.059 -11.985 134 1HB SER 18 1HB SER 18 1.144 -9.515 -10.081 135 2HB SER 18 2HB SER 18 0.984 -10.769 -11.294 136 HG SER 18 HG SER 18 2.834 -8.843 -11.199 137 H PHE 19 H PHE 19 -0.582 -8.478 -14.124 138 HA PHE 19 HA PHE 19 -2.447 -10.556 -14.706 139 1HB PHE 19 1HB PHE 19 -0.839 -8.458 -16.265 140 2HB PHE 19 2HB PHE 19 -1.898 -9.577 -17.100 141 HD1 PHE 19 HD1 PHE 19 -1.754 -6.694 -14.853 142 HD2 PHE 19 HD2 PHE 19 -4.311 -9.383 -16.912 143 HE1 PHE 19 HE1 PHE 19 -3.698 -5.160 -14.443 144 HE2 PHE 19 HE2 PHE 19 -6.255 -7.849 -16.502 145 HZ PHE 19 HZ PHE 19 -5.925 -5.756 -15.272 146 H LYS 20 H LYS 20 -1.889 -12.656 -15.023 147 HA LYS 20 HA LYS 20 0.652 -13.617 -15.198 148 1HB LYS 20 1HB LYS 20 -1.294 -14.993 -14.700 149 2HB LYS 20 2HB LYS 20 -1.911 -14.780 -16.326 150 1HG LYS 20 1HG LYS 20 0.083 -15.922 -17.265 151 2HG LYS 20 2HG LYS 20 0.777 -16.072 -15.663 152 1HD LYS 20 1HD LYS 20 -1.957 -17.234 -16.333 153 2HD LYS 20 2HD LYS 20 -0.482 -18.134 -16.620 154 1HE LYS 20 1HE LYS 20 -0.431 -16.997 -13.933 155 2HE LYS 20 2HE LYS 20 -1.917 -17.896 -14.166 156 1HZ LYS 20 1HZ LYS 20 -0.800 -19.791 -14.204 157 2HZ LYS 20 2HZ LYS 20 0.362 -19.237 -15.210 158 3HZ LYS 20 3HZ LYS 20 0.477 -18.968 -13.603 159 H ASP 21 H ASP 21 1.747 -14.733 -17.088 160 HA ASP 21 HA ASP 21 2.073 -12.814 -19.111 161 1HB ASP 21 1HB ASP 21 3.540 -14.955 -18.079 162 2HB ASP 21 2HB ASP 21 3.087 -15.547 -19.665 163 H GLY 22 H GLY 22 0.797 -12.637 -20.959 164 1HA GLY 22 1HA GLY 22 0.185 -14.198 -22.909 165 2HA GLY 22 2HA GLY 22 -0.854 -14.955 -21.718 166 H VAL 23 H VAL 23 -1.281 -12.264 -20.310 167 HA VAL 23 HA VAL 23 -3.538 -11.498 -21.905 168 HB VAL 23 HB VAL 23 -2.411 -10.633 -19.244 169 1HG1 VAL 23 1HG1 VAL 23 -4.551 -9.387 -20.912 170 2HG1 VAL 23 2HG1 VAL 23 -4.848 -9.539 -19.164 171 3HG1 VAL 23 3HG1 VAL 23 -3.424 -8.647 -19.751 172 1HG2 VAL 23 1HG2 VAL 23 -3.422 -12.671 -18.873 173 2HG2 VAL 23 2HG2 VAL 23 -4.800 -11.572 -18.622 174 3HG2 VAL 23 3HG2 VAL 23 -4.622 -12.438 -20.167 175 H SER 24 H SER 24 -3.654 -9.848 -23.352 176 HA SER 24 HA SER 24 -1.332 -8.578 -24.152 177 1HB SER 24 1HB SER 24 -4.020 -7.339 -24.715 178 2HB SER 24 2HB SER 24 -2.659 -7.565 -25.795 179 HG SER 24 HG SER 24 -4.753 -9.339 -25.130 180 HA PRO 25 HA PRO 25 -1.192 -5.141 -21.485 181 1HB PRO 25 1HB PRO 25 0.285 -3.373 -22.955 182 2HB PRO 25 2HB PRO 25 0.995 -4.693 -22.047 183 1HG PRO 25 1HG PRO 25 0.594 -4.457 -24.966 184 2HG PRO 25 2HG PRO 25 1.658 -5.538 -24.088 185 1HD PRO 25 1HD PRO 25 -0.854 -6.212 -25.300 186 2HD PRO 25 2HD PRO 25 0.154 -7.262 -24.324 187 H GLU 26 H GLU 26 -2.197 -4.476 -24.769 188 HA GLU 26 HA GLU 26 -3.241 -1.984 -24.282 189 1HB GLU 26 1HB GLU 26 -3.501 -4.082 -26.351 190 2HB GLU 26 2HB GLU 26 -4.924 -3.067 -26.218 191 1HG GLU 26 1HG GLU 26 -3.212 -1.062 -26.217 192 2HG GLU 26 2HG GLU 26 -2.073 -2.235 -26.849 193 H LYS 27 H LYS 27 -4.458 -5.216 -23.488 194 HA LYS 27 HA LYS 27 -7.139 -4.345 -23.027 195 1HB LYS 27 1HB LYS 27 -6.010 -6.750 -23.538 196 2HB LYS 27 2HB LYS 27 -6.127 -6.853 -21.793 197 1HG LYS 27 1HG LYS 27 -8.545 -5.799 -23.226 198 2HG LYS 27 2HG LYS 27 -8.182 -7.497 -23.462 199 1HD LYS 27 1HD LYS 27 -8.381 -7.996 -21.135 200 2HD LYS 27 2HD LYS 27 -8.202 -6.317 -20.664 201 1HE LYS 27 1HE LYS 27 -10.496 -6.419 -20.479 202 2HE LYS 27 2HE LYS 27 -10.437 -6.076 -22.196 203 1HZ LYS 27 1HZ LYS 27 -11.747 -8.085 -21.358 204 2HZ LYS 27 2HZ LYS 27 -10.844 -8.252 -22.708 205 3HZ LYS 27 3HZ LYS 27 -10.301 -8.839 -21.284 206 H ILE 28 H ILE 28 -4.120 -4.650 -21.157 207 HA ILE 28 HA ILE 28 -5.245 -4.509 -18.612 208 HB ILE 28 HB ILE 28 -2.562 -3.580 -19.639 209 1HG1 ILE 28 1HG1 ILE 28 -3.191 -6.170 -18.218 210 2HG1 ILE 28 2HG1 ILE 28 -3.292 -6.026 -19.961 211 1HG2 ILE 28 1HG2 ILE 28 -3.383 -2.654 -17.380 212 2HG2 ILE 28 2HG2 ILE 28 -3.181 -4.319 -16.785 213 3HG2 ILE 28 3HG2 ILE 28 -1.784 -3.434 -17.446 214 1HD1 ILE 28 1HD1 ILE 28 -1.067 -6.497 -19.978 215 2HD1 ILE 28 2HD1 ILE 28 -0.828 -4.834 -19.391 216 3HD1 ILE 28 3HD1 ILE 28 -0.912 -6.183 -18.233 217 H GLU 29 H GLU 29 -4.137 -1.927 -20.893 218 HA GLU 29 HA GLU 29 -4.732 0.144 -19.119 219 1HB GLU 29 1HB GLU 29 -4.532 1.595 -21.154 220 2HB GLU 29 2HB GLU 29 -3.187 0.487 -20.967 221 1HG GLU 29 1HG GLU 29 -4.074 -1.017 -22.658 222 2HG GLU 29 2HG GLU 29 -5.609 -0.173 -22.697 223 H GLU 30 H GLU 30 -6.657 -1.773 -21.391 224 HA GLU 30 HA GLU 30 -8.762 0.050 -21.635 225 1HB GLU 30 1HB GLU 30 -8.220 -2.779 -22.335 226 2HB GLU 30 2HB GLU 30 -9.911 -2.446 -22.020 227 1HG GLU 30 1HG GLU 30 -9.220 -0.261 -23.573 228 2HG GLU 30 2HG GLU 30 -8.179 -1.498 -24.249 229 H LEU 31 H LEU 31 -7.854 -2.379 -19.206 230 HA LEU 31 HA LEU 31 -10.408 -2.493 -17.973 231 1HB LEU 31 1HB LEU 31 -7.879 -3.777 -17.760 232 2HB LEU 31 2HB LEU 31 -8.293 -3.160 -16.173 233 HG LEU 31 HG LEU 31 -9.032 -5.467 -16.463 234 1HD1 LEU 31 1HD1 LEU 31 -10.295 -3.970 -14.976 235 2HD1 LEU 31 2HD1 LEU 31 -11.380 -3.555 -16.325 236 3HD1 LEU 31 3HD1 LEU 31 -11.329 -5.222 -15.705 237 1HD2 LEU 31 1HD2 LEU 31 -11.104 -4.660 -18.470 238 2HD2 LEU 31 2HD2 LEU 31 -9.452 -5.035 -19.018 239 3HD2 LEU 31 3HD2 LEU 31 -10.396 -6.258 -18.133 240 H ILE 32 H ILE 32 -7.333 -0.698 -17.320 241 HA ILE 32 HA ILE 32 -8.201 0.567 -15.010 242 HB ILE 32 HB ILE 32 -6.194 1.334 -17.123 243 1HG1 ILE 32 1HG1 ILE 32 -5.804 0.226 -14.329 244 2HG1 ILE 32 2HG1 ILE 32 -5.820 -0.753 -15.782 245 1HG2 ILE 32 1HG2 ILE 32 -7.042 3.354 -15.959 246 2HG2 ILE 32 2HG2 ILE 32 -6.558 2.627 -14.408 247 3HG2 ILE 32 3HG2 ILE 32 -5.325 3.016 -15.631 248 1HD1 ILE 32 1HD1 ILE 32 -3.905 1.566 -15.246 249 2HD1 ILE 32 2HD1 ILE 32 -3.501 -0.163 -15.126 250 3HD1 ILE 32 3HD1 ILE 32 -3.913 0.547 -16.706 251 H LYS 33 H LYS 33 -8.486 1.522 -18.485 252 HA LYS 33 HA LYS 33 -9.688 3.998 -17.962 253 1HB LYS 33 1HB LYS 33 -9.590 4.222 -20.187 254 2HB LYS 33 2HB LYS 33 -8.691 2.719 -20.163 255 1HG LYS 33 1HG LYS 33 -10.819 1.438 -20.465 256 2HG LYS 33 2HG LYS 33 -11.723 2.939 -20.483 257 1HD LYS 33 1HD LYS 33 -10.511 3.686 -22.511 258 2HD LYS 33 2HD LYS 33 -9.506 2.251 -22.470 259 1HE LYS 33 1HE LYS 33 -11.119 1.541 -23.989 260 2HE LYS 33 2HE LYS 33 -11.859 0.979 -22.504 261 1HZ LYS 33 1HZ LYS 33 -13.506 2.164 -23.563 262 2HZ LYS 33 2HZ LYS 33 -12.950 3.251 -22.478 263 3HZ LYS 33 3HZ LYS 33 -12.516 3.369 -24.048 264 H GLY 34 H GLY 34 -10.913 0.662 -18.104 265 1HA GLY 34 1HA GLY 34 -13.676 1.412 -18.253 266 2HA GLY 34 2HA GLY 34 -13.010 -0.175 -17.922 267 H TYR 35 H TYR 35 -11.520 0.069 -15.643 268 HA TYR 35 HA TYR 35 -13.219 -0.127 -13.592 269 1HB TYR 35 1HB TYR 35 -10.383 0.456 -14.115 270 2HB TYR 35 2HB TYR 35 -10.885 1.340 -12.687 271 HD1 TYR 35 HD1 TYR 35 -12.305 -0.136 -10.941 272 HD2 TYR 35 HD2 TYR 35 -9.556 -1.693 -13.826 273 HE1 TYR 35 HE1 TYR 35 -12.022 -2.243 -9.546 274 HE2 TYR 35 HE2 TYR 35 -9.283 -3.794 -12.422 275 HH TYR 35 HH TYR 35 -9.563 -4.269 -9.822 276 H ALA 36 H ALA 36 -11.677 2.962 -14.698 277 HA ALA 36 HA ALA 36 -12.757 4.567 -12.702 278 1HB ALA 36 1HB ALA 36 -12.125 6.400 -14.150 279 2HB ALA 36 2HB ALA 36 -10.898 5.121 -14.315 280 3HB ALA 36 3HB ALA 36 -12.132 5.338 -15.579 281 H ASN 37 H ASN 37 -14.017 3.586 -15.942 282 HA ASN 37 HA ASN 37 -16.266 5.216 -15.807 283 1HB ASN 37 1HB ASN 37 -15.188 3.834 -17.807 284 2HB ASN 37 2HB ASN 37 -16.233 2.540 -17.256 285 1HD2 ASN 37 1HD2 ASN 37 -17.396 2.601 -19.173 286 2HD2 ASN 37 2HD2 ASN 37 -18.566 3.828 -19.530 287 H LEU 38 H LEU 38 -15.515 1.833 -14.807 288 HA LEU 38 HA LEU 38 -18.183 1.143 -14.168 289 1HB LEU 38 1HB LEU 38 -16.319 -0.420 -14.739 290 2HB LEU 38 2HB LEU 38 -15.606 -0.079 -13.174 291 HG LEU 38 HG LEU 38 -18.161 -0.805 -12.467 292 1HD1 LEU 38 1HD1 LEU 38 -17.735 -1.783 -15.147 293 2HD1 LEU 38 2HD1 LEU 38 -17.896 -3.141 -14.007 294 3HD1 LEU 38 3HD1 LEU 38 -19.174 -1.905 -14.106 295 1HD2 LEU 38 1HD2 LEU 38 -15.482 -1.878 -12.296 296 2HD2 LEU 38 2HD2 LEU 38 -16.826 -1.972 -11.132 297 3HD2 LEU 38 3HD2 LEU 38 -16.683 -3.186 -12.426 298 H VAL 39 H VAL 39 -15.484 2.722 -12.449 299 HA VAL 39 HA VAL 39 -16.625 2.473 -9.877 300 HB VAL 39 HB VAL 39 -14.548 4.296 -11.090 301 1HG1 VAL 39 1HG1 VAL 39 -14.802 5.642 -9.319 302 2HG1 VAL 39 2HG1 VAL 39 -15.911 4.505 -8.516 303 3HG1 VAL 39 3HG1 VAL 39 -14.151 4.310 -8.335 304 1HG2 VAL 39 1HG2 VAL 39 -13.667 2.477 -9.006 305 2HG2 VAL 39 2HG2 VAL 39 -14.479 1.598 -10.324 306 3HG2 VAL 39 3HG2 VAL 39 -13.091 2.653 -10.681 307 H ASN 40 H ASN 40 -17.000 4.744 -12.599 308 HA ASN 40 HA ASN 40 -18.299 6.703 -11.053 309 1HB ASN 40 1HB ASN 40 -17.211 7.247 -13.216 310 2HB ASN 40 2HB ASN 40 -18.281 6.151 -14.067 311 1HD2 ASN 40 1HD2 ASN 40 -19.418 7.443 -15.336 312 2HD2 ASN 40 2HD2 ASN 40 -20.400 8.777 -14.830 313 H LEU 41 H LEU 41 -19.222 3.804 -12.940 314 HA LEU 41 HA LEU 41 -22.005 4.398 -12.985 315 1HB LEU 41 1HB LEU 41 -20.303 2.019 -13.651 316 2HB LEU 41 2HB LEU 41 -22.047 1.867 -13.573 317 HG LEU 41 HG LEU 41 -20.970 4.096 -15.232 318 1HD1 LEU 41 1HD1 LEU 41 -19.455 2.640 -16.137 319 2HD1 LEU 41 2HD1 LEU 41 -20.447 1.205 -15.786 320 3HD1 LEU 41 3HD1 LEU 41 -20.878 2.274 -17.142 321 1HD2 LEU 41 1HD2 LEU 41 -22.925 2.467 -16.530 322 2HD2 LEU 41 2HD2 LEU 41 -23.446 2.751 -14.852 323 3HD2 LEU 41 3HD2 LEU 41 -23.078 4.131 -15.914 324 H ILE 42 H ILE 42 -20.116 1.808 -11.263 325 HA ILE 42 HA ILE 42 -22.038 0.883 -9.634 326 HB ILE 42 HB ILE 42 -19.118 1.376 -9.078 327 1HG1 ILE 42 1HG1 ILE 42 -19.686 -0.126 -10.966 328 2HG1 ILE 42 2HG1 ILE 42 -18.827 -0.935 -9.670 329 1HG2 ILE 42 1HG2 ILE 42 -20.416 1.219 -6.958 330 2HG2 ILE 42 2HG2 ILE 42 -20.988 -0.386 -7.474 331 3HG2 ILE 42 3HG2 ILE 42 -19.252 -0.107 -7.195 332 1HD1 ILE 42 1HD1 ILE 42 -20.545 -2.373 -9.320 333 2HD1 ILE 42 2HD1 ILE 42 -21.717 -1.039 -9.212 334 3HD1 ILE 42 3HD1 ILE 42 -21.287 -1.718 -10.799 335 H GLU 43 H GLU 43 -23.511 1.848 -8.354 336 HA GLU 43 HA GLU 43 -23.426 4.491 -7.687 337 1HB GLU 43 1HB GLU 43 -25.103 2.197 -7.141 338 2HB GLU 43 2HB GLU 43 -24.922 3.118 -5.661 339 1HG GLU 43 1HG GLU 43 -25.507 4.596 -8.236 340 2HG GLU 43 2HG GLU 43 -26.814 3.748 -7.433 341 HA PRO 44 HA PRO 44 -21.643 3.213 -3.486 342 1HB PRO 44 1HB PRO 44 -20.868 0.631 -3.038 343 2HB PRO 44 2HB PRO 44 -22.436 1.256 -2.568 344 1HG PRO 44 1HG PRO 44 -21.752 -0.524 -4.827 345 2HG PRO 44 2HG PRO 44 -23.316 -0.235 -4.092 346 1HD PRO 44 1HD PRO 44 -22.367 0.826 -6.582 347 2HD PRO 44 2HD PRO 44 -23.884 1.206 -5.791 348 H MET 45 H MET 45 -20.083 4.624 -4.389 349 HA MET 45 HA MET 45 -17.560 3.249 -4.500 350 1HB MET 45 1HB MET 45 -18.983 4.318 -6.858 351 2HB MET 45 2HB MET 45 -17.425 5.096 -6.661 352 1HG MET 45 1HG MET 45 -17.898 2.077 -6.779 353 2HG MET 45 2HG MET 45 -17.235 3.056 -8.073 354 1HE MET 45 1HE MET 45 -14.034 1.287 -7.130 355 2HE MET 45 2HE MET 45 -15.524 0.443 -6.643 356 3HE MET 45 3HE MET 45 -15.476 1.353 -8.172 357 H LYS 46 H LYS 46 -15.777 4.601 -3.937 358 HA LYS 46 HA LYS 46 -16.621 7.166 -2.824 359 1HB LYS 46 1HB LYS 46 -14.119 5.526 -2.317 360 2HB LYS 46 2HB LYS 46 -14.550 7.017 -1.505 361 1HG LYS 46 1HG LYS 46 -16.315 4.525 -1.494 362 2HG LYS 46 2HG LYS 46 -15.153 4.890 -0.234 363 1HD LYS 46 1HD LYS 46 -16.598 6.325 0.765 364 2HD LYS 46 2HD LYS 46 -16.772 7.250 -0.713 365 1HE LYS 46 1HE LYS 46 -18.271 4.992 -1.306 366 2HE LYS 46 2HE LYS 46 -18.544 5.143 0.418 367 1HZ LYS 46 1HZ LYS 46 -19.905 6.492 -1.366 368 2HZ LYS 46 2HZ LYS 46 -19.637 7.063 0.140 369 3HZ LYS 46 3HZ LYS 46 -18.716 7.581 -1.105 370 H ALA 47 H ALA 47 -13.568 5.902 -4.338 371 HA ALA 47 HA ALA 47 -13.693 7.718 -6.491 372 1HB ALA 47 1HB ALA 47 -11.427 8.512 -4.742 373 2HB ALA 47 2HB ALA 47 -12.466 9.506 -5.790 374 3HB ALA 47 3HB ALA 47 -13.039 9.014 -4.178 375 H PHE 48 H PHE 48 -11.956 7.338 -7.991 376 HA PHE 48 HA PHE 48 -10.563 4.848 -7.388 377 1HB PHE 48 1HB PHE 48 -12.067 5.338 -9.474 378 2HB PHE 48 2HB PHE 48 -10.819 6.452 -9.997 379 HD1 PHE 48 HD1 PHE 48 -11.420 2.887 -9.155 380 HD2 PHE 48 HD2 PHE 48 -8.953 5.678 -11.189 381 HE1 PHE 48 HE1 PHE 48 -10.200 0.997 -10.270 382 HE2 PHE 48 HE2 PHE 48 -7.734 3.788 -12.304 383 HZ PHE 48 HZ PHE 48 -8.372 1.471 -11.831 384 H HIS 49 H HIS 49 -8.491 4.974 -6.677 385 HA HIS 49 HA HIS 49 -6.975 7.345 -7.466 386 1HB HIS 49 1HB HIS 49 -7.320 5.956 -4.983 387 2HB HIS 49 2HB HIS 49 -5.635 5.834 -5.451 388 HD1 HIS 49 HD1 HIS 49 -6.860 7.620 -3.060 389 HD2 HIS 49 HD2 HIS 49 -5.589 8.983 -6.818 390 HE1 HIS 49 HE1 HIS 49 -6.301 10.093 -2.772 391 HE2 HIS 49 HE2 HIS 49 -5.473 10.862 -5.100 392 H TRP 50 H TRP 50 -4.540 6.923 -7.781 393 HA TRP 50 HA TRP 50 -4.291 4.495 -9.409 394 1HB TRP 50 1HB TRP 50 -3.370 7.277 -9.696 395 2HB TRP 50 2HB TRP 50 -2.159 6.066 -10.069 396 HD1 TRP 50 HD1 TRP 50 -5.828 6.881 -11.147 397 HE1 TRP 50 HE1 TRP 50 -6.223 6.201 -13.666 398 HE3 TRP 50 HE3 TRP 50 -1.232 4.827 -11.860 399 HZ2 TRP 50 HZ2 TRP 50 -4.604 4.909 -15.630 400 HZ3 TRP 50 HZ3 TRP 50 -0.720 3.878 -14.107 401 HH2 TRP 50 HH2 TRP 50 -2.318 3.896 -15.956 402 H GLY 51 H GLY 51 -1.879 3.678 -9.429 403 1HA GLY 51 1HA GLY 51 -0.221 4.190 -7.201 404 2HA GLY 51 2HA GLY 51 -1.221 2.789 -6.870 405 H LYS 52 H LYS 52 1.041 4.203 -9.310 406 HA LYS 52 HA LYS 52 1.641 1.462 -10.169 407 1HB LYS 52 1HB LYS 52 2.217 2.297 -12.281 408 2HB LYS 52 2HB LYS 52 0.756 3.163 -11.849 409 1HG LYS 52 1HG LYS 52 1.927 5.176 -11.376 410 2HG LYS 52 2HG LYS 52 3.458 4.352 -11.155 411 1HD LYS 52 1HD LYS 52 1.983 4.667 -13.813 412 2HD LYS 52 2HD LYS 52 3.391 5.584 -13.317 413 1HE LYS 52 1HE LYS 52 4.211 2.928 -12.943 414 2HE LYS 52 2HE LYS 52 3.229 2.835 -14.391 415 1HZ LYS 52 1HZ LYS 52 4.595 4.933 -15.011 416 2HZ LYS 52 2HZ LYS 52 5.674 4.327 -13.946 417 3HZ LYS 52 3HZ LYS 52 5.220 3.442 -15.241 418 H ASP 53 H ASP 53 3.783 0.711 -10.156 419 HA ASP 53 HA ASP 53 5.375 1.853 -8.165 420 1HB ASP 53 1HB ASP 53 7.049 0.130 -8.885 421 2HB ASP 53 2HB ASP 53 5.452 -0.543 -8.620 422 H VAL 54 H VAL 54 7.068 3.364 -8.368 423 HA VAL 54 HA VAL 54 7.438 4.573 -10.946 424 HB VAL 54 HB VAL 54 9.045 6.002 -9.569 425 1HG1 VAL 54 1HG1 VAL 54 6.369 6.186 -8.282 426 2HG1 VAL 54 2HG1 VAL 54 7.329 7.426 -9.125 427 3HG1 VAL 54 3HG1 VAL 54 6.403 6.229 -10.061 428 1HG2 VAL 54 1HG2 VAL 54 9.214 4.158 -7.768 429 2HG2 VAL 54 2HG2 VAL 54 9.080 5.850 -7.230 430 3HG2 VAL 54 3HG2 VAL 54 7.654 4.785 -7.182 431 H SER 55 H SER 55 9.614 4.911 -11.909 432 HA SER 55 HA SER 55 10.851 2.631 -12.513 433 1HB SER 55 1HB SER 55 11.609 5.506 -12.564 434 2HB SER 55 2HB SER 55 12.969 4.404 -12.638 435 HG SER 55 HG SER 55 12.496 4.113 -14.697 436 H ILE 56 H ILE 56 11.339 1.144 -10.868 437 HA ILE 56 HA ILE 56 12.926 2.087 -8.623 438 HB ILE 56 HB ILE 56 10.874 0.609 -8.426 439 1HG1 ILE 56 1HG1 ILE 56 12.083 -0.889 -6.693 440 2HG1 ILE 56 2HG1 ILE 56 13.533 -0.016 -7.146 441 1HG2 ILE 56 1HG2 ILE 56 12.168 -1.900 -8.645 442 2HG2 ILE 56 2HG2 ILE 56 10.780 -1.284 -9.573 443 3HG2 ILE 56 3HG2 ILE 56 12.435 -1.036 -10.178 444 1HD1 ILE 56 1HD1 ILE 56 10.997 1.070 -5.883 445 2HD1 ILE 56 2HD1 ILE 56 12.681 1.242 -5.331 446 3HD1 ILE 56 3HD1 ILE 56 12.114 2.149 -6.754 447 H GLU 57 H GLU 57 13.758 1.685 -11.637 448 HA GLU 57 HA GLU 57 15.637 1.228 -12.635 449 1HB GLU 57 1HB GLU 57 16.452 1.174 -9.817 450 2HB GLU 57 2HB GLU 57 17.425 0.080 -10.781 451 1HG GLU 57 1HG GLU 57 17.011 2.613 -12.197 452 2HG GLU 57 2HG GLU 57 17.691 2.899 -10.607 453 H ASN 58 H ASN 58 15.524 -1.327 -10.039 454 HA ASN 58 HA ASN 58 14.558 -3.262 -11.802 455 1HB ASN 58 1HB ASN 58 17.115 -2.901 -12.453 456 2HB ASN 58 2HB ASN 58 17.437 -3.808 -10.989 457 1HD2 ASN 58 1HD2 ASN 58 18.072 -4.584 -13.640 458 2HD2 ASN 58 2HD2 ASN 58 17.224 -6.047 -14.016 459 H LEU 59 H LEU 59 13.277 -3.109 -9.673 460 HA LEU 59 HA LEU 59 14.148 -5.170 -7.905 461 1HB LEU 59 1HB LEU 59 15.252 -2.841 -7.245 462 2HB LEU 59 2HB LEU 59 13.691 -2.591 -6.488 463 HG LEU 59 HG LEU 59 15.212 -3.448 -4.850 464 1HD1 LEU 59 1HD1 LEU 59 13.083 -5.366 -5.767 465 2HD1 LEU 59 2HD1 LEU 59 14.088 -5.722 -4.341 466 3HD1 LEU 59 3HD1 LEU 59 13.085 -4.252 -4.378 467 1HD2 LEU 59 1HD2 LEU 59 15.710 -5.798 -6.699 468 2HD2 LEU 59 2HD2 LEU 59 16.845 -4.468 -6.364 469 3HD2 LEU 59 3HD2 LEU 59 16.373 -5.583 -5.060 470 H HIS 60 H HIS 60 12.160 -5.935 -9.010 471 HA HIS 60 HA HIS 60 9.870 -5.131 -7.435 472 1HB HIS 60 1HB HIS 60 8.432 -4.708 -9.272 473 2HB HIS 60 2HB HIS 60 9.855 -3.709 -9.491 474 HD1 HIS 60 HD1 HIS 60 7.993 -6.597 -11.001 475 HD2 HIS 60 HD2 HIS 60 11.513 -4.424 -11.696 476 HE1 HIS 60 HE1 HIS 60 8.780 -7.240 -13.341 477 HE2 HIS 60 HE2 HIS 60 10.916 -5.832 -13.733 478 H GLN 61 H GLN 61 8.491 -6.855 -6.993 479 HA GLN 61 HA GLN 61 9.551 -9.403 -7.728 480 1HB GLN 61 1HB GLN 61 7.890 -8.312 -5.613 481 2HB GLN 61 2HB GLN 61 7.085 -9.700 -6.316 482 1HG GLN 61 1HG GLN 61 8.427 -10.846 -4.829 483 2HG GLN 61 2HG GLN 61 9.575 -10.749 -6.150 484 1HE2 GLN 61 1HE2 GLN 61 10.902 -8.707 -6.220 485 2HE2 GLN 61 2HE2 GLN 61 11.554 -8.119 -4.727 486 H GLY 62 H GLY 62 7.085 -7.201 -8.840 487 1HA GLY 62 1HA GLY 62 6.359 -7.859 -11.142 488 2HA GLY 62 2HA GLY 62 5.827 -9.364 -10.419 489 H TYR 63 H TYR 63 5.624 -6.003 -9.082 490 HA TYR 63 HA TYR 63 2.886 -6.427 -8.379 491 1HB TYR 63 1HB TYR 63 4.994 -4.208 -8.318 492 2HB TYR 63 2HB TYR 63 3.337 -3.813 -7.905 493 HD1 TYR 63 HD1 TYR 63 2.525 -4.184 -5.724 494 HD2 TYR 63 HD2 TYR 63 6.154 -6.079 -6.965 495 HE1 TYR 63 HE1 TYR 63 2.942 -4.962 -3.340 496 HE2 TYR 63 HE2 TYR 63 6.559 -6.851 -4.577 497 HH TYR 63 HH TYR 63 5.508 -7.202 -2.599 498 H THR 64 H THR 64 4.690 -4.559 -10.879 499 HA THR 64 HA THR 64 4.015 -3.576 -12.756 500 HB THR 64 HB THR 64 2.368 -4.723 -13.997 501 HG1 THR 64 HG1 THR 64 1.046 -5.455 -11.510 502 1HG2 THR 64 1HG2 THR 64 3.861 -6.361 -12.305 503 2HG2 THR 64 2HG2 THR 64 2.191 -6.840 -11.917 504 3HG2 THR 64 3HG2 THR 64 2.783 -6.952 -13.592 505 H HIS 65 H HIS 65 1.045 -3.794 -10.675 506 HA HIS 65 HA HIS 65 1.116 -0.979 -10.281 507 1HB HIS 65 1HB HIS 65 -1.040 -2.132 -12.071 508 2HB HIS 65 2HB HIS 65 -1.097 -0.537 -11.347 509 HD1 HIS 65 HD1 HIS 65 0.883 -2.548 -13.898 510 HD2 HIS 65 HD2 HIS 65 0.352 1.430 -12.677 511 HE1 HIS 65 HE1 HIS 65 2.072 -1.103 -15.632 512 HE2 HIS 65 HE2 HIS 65 1.665 1.332 -14.859 513 H ILE 66 H ILE 66 -1.082 -0.329 -9.091 514 HA ILE 66 HA ILE 66 -2.084 -2.621 -7.590 515 HB ILE 66 HB ILE 66 -1.737 -1.496 -5.472 516 1HG1 ILE 66 1HG1 ILE 66 0.186 0.499 -6.456 517 2HG1 ILE 66 2HG1 ILE 66 -1.465 0.819 -6.949 518 1HG2 ILE 66 1HG2 ILE 66 1.019 -1.409 -6.534 519 2HG2 ILE 66 2HG2 ILE 66 0.322 -2.361 -5.201 520 3HG2 ILE 66 3HG2 ILE 66 0.108 -2.897 -6.885 521 1HD1 ILE 66 1HD1 ILE 66 -2.030 1.478 -4.856 522 2HD1 ILE 66 2HD1 ILE 66 -1.413 -0.041 -4.162 523 3HD1 ILE 66 3HD1 ILE 66 -0.311 1.334 -4.414 524 H PHE 67 H PHE 67 -4.244 -2.436 -7.013 525 HA PHE 67 HA PHE 67 -5.555 -0.061 -8.100 526 1HB PHE 67 1HB PHE 67 -6.446 -2.893 -7.297 527 2HB PHE 67 2HB PHE 67 -7.579 -1.673 -7.843 528 HD1 PHE 67 HD1 PHE 67 -6.626 -4.496 -8.998 529 HD2 PHE 67 HD2 PHE 67 -5.923 -0.442 -10.035 530 HE1 PHE 67 HE1 PHE 67 -6.212 -5.177 -11.378 531 HE2 PHE 67 HE2 PHE 67 -5.509 -1.122 -12.415 532 HZ PHE 67 HZ PHE 67 -5.658 -3.481 -13.058 533 H GLU 68 H GLU 68 -6.009 1.514 -6.636 534 HA GLU 68 HA GLU 68 -6.458 0.667 -3.900 535 1HB GLU 68 1HB GLU 68 -4.767 2.486 -4.488 536 2HB GLU 68 2HB GLU 68 -6.113 3.501 -4.966 537 1HG GLU 68 1HG GLU 68 -7.100 3.205 -2.651 538 2HG GLU 68 2HG GLU 68 -5.671 2.300 -2.192 539 H SER 69 H SER 69 -8.561 0.247 -3.377 540 HA SER 69 HA SER 69 -10.568 1.875 -4.719 541 1HB SER 69 1HB SER 69 -10.377 -0.894 -4.481 542 2HB SER 69 2HB SER 69 -11.509 -0.488 -3.206 543 HG SER 69 HG SER 69 -12.993 -0.305 -4.726 544 H THR 70 H THR 70 -11.677 3.366 -3.495 545 HA THR 70 HA THR 70 -11.298 3.235 -0.592 546 HB THR 70 HB THR 70 -12.130 5.466 -2.520 547 HG1 THR 70 HG1 THR 70 -9.856 4.775 -2.483 548 1HG2 THR 70 1HG2 THR 70 -11.161 6.134 0.207 549 2HG2 THR 70 2HG2 THR 70 -12.501 6.851 -0.719 550 3HG2 THR 70 3HG2 THR 70 -12.758 5.347 0.199 551 H PHE 71 H PHE 71 -12.903 2.818 0.815 552 HA PHE 71 HA PHE 71 -15.620 2.825 -0.286 553 1HB PHE 71 1HB PHE 71 -14.315 0.816 1.646 554 2HB PHE 71 2HB PHE 71 -15.960 0.715 1.051 555 HD1 PHE 71 HD1 PHE 71 -16.124 0.709 -1.623 556 HD2 PHE 71 HD2 PHE 71 -12.729 -0.500 0.617 557 HE1 PHE 71 HE1 PHE 71 -15.337 -0.675 -3.563 558 HE2 PHE 71 HE2 PHE 71 -11.942 -1.884 -1.323 559 HZ PHE 71 HZ PHE 71 -13.255 -1.955 -3.390 560 H GLU 72 H GLU 72 -17.278 2.617 1.640 561 HA GLU 72 HA GLU 72 -16.585 4.742 3.415 562 1HB GLU 72 1HB GLU 72 -18.922 3.974 2.199 563 2HB GLU 72 2HB GLU 72 -19.161 3.287 3.793 564 1HG GLU 72 1HG GLU 72 -19.126 5.379 4.862 565 2HG GLU 72 2HG GLU 72 -18.140 6.121 3.618 566 H SER 73 H SER 73 -17.723 1.304 3.759 567 HA SER 73 HA SER 73 -16.073 1.112 6.109 568 1HB SER 73 1HB SER 73 -19.067 1.076 6.136 569 2HB SER 73 2HB SER 73 -18.275 -0.155 7.099 570 HG SER 73 HG SER 73 -18.514 2.566 7.570 571 H LYS 74 H LYS 74 -16.144 -1.306 6.932 572 HA LYS 74 HA LYS 74 -15.470 -2.938 4.777 573 1HB LYS 74 1HB LYS 74 -14.579 -3.188 7.055 574 2HB LYS 74 2HB LYS 74 -16.157 -3.677 7.637 575 1HG LYS 74 1HG LYS 74 -16.045 -5.771 6.636 576 2HG LYS 74 2HG LYS 74 -15.098 -5.196 5.278 577 1HD LYS 74 1HD LYS 74 -13.704 -6.646 6.687 578 2HD LYS 74 2HD LYS 74 -13.088 -5.007 6.753 579 1HE LYS 74 1HE LYS 74 -14.415 -4.664 8.901 580 2HE LYS 74 2HE LYS 74 -14.846 -6.362 8.853 581 1HZ LYS 74 1HZ LYS 74 -12.928 -6.770 9.815 582 2HZ LYS 74 2HZ LYS 74 -12.121 -6.221 8.506 583 3HZ LYS 74 3HZ LYS 74 -12.468 -5.205 9.736 584 H GLU 75 H GLU 75 -18.546 -2.271 6.405 585 HA GLU 75 HA GLU 75 -19.856 -4.566 5.497 586 1HB GLU 75 1HB GLU 75 -20.890 -1.834 6.365 587 2HB GLU 75 2HB GLU 75 -21.946 -3.186 6.005 588 1HG GLU 75 1HG GLU 75 -20.492 -4.528 7.720 589 2HG GLU 75 2HG GLU 75 -19.883 -2.966 8.229 590 H ALA 76 H ALA 76 -19.310 -1.295 4.129 591 HA ALA 76 HA ALA 76 -21.139 -1.539 2.009 592 1HB ALA 76 1HB ALA 76 -19.432 0.404 3.082 593 2HB ALA 76 2HB ALA 76 -18.789 0.110 1.448 594 3HB ALA 76 3HB ALA 76 -20.489 0.591 1.663 595 H VAL 77 H VAL 77 -17.728 -2.524 2.495 596 HA VAL 77 HA VAL 77 -17.036 -3.025 -0.122 597 HB VAL 77 HB VAL 77 -16.278 -4.484 2.417 598 1HG1 VAL 77 1HG1 VAL 77 -15.188 -4.610 -0.389 599 2HG1 VAL 77 2HG1 VAL 77 -14.120 -4.884 1.008 600 3HG1 VAL 77 3HG1 VAL 77 -15.536 -5.932 0.751 601 1HG2 VAL 77 1HG2 VAL 77 -14.627 -2.911 2.770 602 2HG2 VAL 77 2HG2 VAL 77 -14.559 -2.434 1.056 603 3HG2 VAL 77 3HG2 VAL 77 -15.913 -1.894 2.077 604 H ALA 78 H ALA 78 -18.827 -5.084 2.243 605 HA ALA 78 HA ALA 78 -18.962 -7.368 0.677 606 1HB ALA 78 1HB ALA 78 -21.188 -6.440 2.504 607 2HB ALA 78 2HB ALA 78 -20.574 -8.088 2.236 608 3HB ALA 78 3HB ALA 78 -19.602 -6.915 3.157 609 H GLU 79 H GLU 79 -20.915 -4.356 0.689 610 HA GLU 79 HA GLU 79 -22.911 -5.342 -0.986 611 1HB GLU 79 1HB GLU 79 -22.625 -3.095 0.493 612 2HB GLU 79 2HB GLU 79 -22.193 -2.428 -1.069 613 1HG GLU 79 1HG GLU 79 -24.313 -2.982 -2.030 614 2HG GLU 79 2HG GLU 79 -24.693 -4.127 -0.759 615 H TYR 80 H TYR 80 -19.819 -3.581 -1.600 616 HA TYR 80 HA TYR 80 -20.255 -3.387 -4.401 617 1HB TYR 80 1HB TYR 80 -18.763 -1.924 -2.956 618 2HB TYR 80 2HB TYR 80 -17.775 -3.319 -2.570 619 HD1 TYR 80 HD1 TYR 80 -19.075 -1.645 -5.679 620 HD2 TYR 80 HD2 TYR 80 -15.749 -3.443 -3.677 621 HE1 TYR 80 HE1 TYR 80 -17.594 -1.159 -7.688 622 HE2 TYR 80 HE2 TYR 80 -14.279 -2.951 -5.693 623 HH TYR 80 HH TYR 80 -14.408 -2.496 -7.942 624 H ILE 81 H ILE 81 -18.743 -5.771 -2.207 625 HA ILE 81 HA ILE 81 -17.465 -7.182 -4.335 626 HB ILE 81 HB ILE 81 -17.996 -7.861 -1.442 627 1HG1 ILE 81 1HG1 ILE 81 -16.446 -5.900 -2.131 628 2HG1 ILE 81 2HG1 ILE 81 -15.883 -7.064 -0.949 629 1HG2 ILE 81 1HG2 ILE 81 -17.705 -9.973 -2.258 630 2HG2 ILE 81 2HG2 ILE 81 -16.735 -9.430 -3.648 631 3HG2 ILE 81 3HG2 ILE 81 -16.003 -9.504 -2.028 632 1HD1 ILE 81 1HD1 ILE 81 -14.220 -7.822 -2.313 633 2HD1 ILE 81 2HD1 ILE 81 -15.293 -7.877 -3.732 634 3HD1 ILE 81 3HD1 ILE 81 -14.522 -6.344 -3.259 635 H ALA 82 H ALA 82 -20.616 -7.227 -2.688 636 HA ALA 82 HA ALA 82 -21.353 -9.783 -3.722 637 1HB ALA 82 1HB ALA 82 -22.246 -8.775 -1.615 638 2HB ALA 82 2HB ALA 82 -23.065 -7.532 -2.591 639 3HB ALA 82 3HB ALA 82 -23.528 -9.243 -2.757 640 H HIS 83 H HIS 83 -21.655 -6.355 -4.712 641 HA HIS 83 HA HIS 83 -23.598 -6.425 -6.547 642 1HB HIS 83 1HB HIS 83 -21.636 -4.673 -5.863 643 2HB HIS 83 2HB HIS 83 -21.103 -5.118 -7.472 644 HD1 HIS 83 HD1 HIS 83 -22.452 -4.238 -9.476 645 HD2 HIS 83 HD2 HIS 83 -24.192 -3.349 -5.764 646 HE1 HIS 83 HE1 HIS 83 -24.322 -2.566 -9.944 647 HE2 HIS 83 HE2 HIS 83 -25.389 -2.100 -7.634 648 HA PRO 84 HA PRO 84 -22.398 -9.347 -9.517 649 1HB PRO 84 1HB PRO 84 -24.239 -8.794 -11.460 650 2HB PRO 84 2HB PRO 84 -24.592 -9.789 -10.061 651 1HG PRO 84 1HG PRO 84 -25.412 -7.002 -10.609 652 2HG PRO 84 2HG PRO 84 -26.085 -8.138 -9.457 653 1HD PRO 84 1HD PRO 84 -24.340 -5.937 -8.877 654 2HD PRO 84 2HD PRO 84 -24.919 -7.141 -7.744 655 H ALA 85 H ALA 85 -22.823 -6.028 -10.553 656 HA ALA 85 HA ALA 85 -21.482 -6.239 -12.964 657 1HB ALA 85 1HB ALA 85 -21.425 -3.875 -12.903 658 2HB ALA 85 2HB ALA 85 -22.850 -4.304 -11.927 659 3HB ALA 85 3HB ALA 85 -21.331 -3.835 -11.126 660 H HIS 86 H HIS 86 -20.267 -5.763 -9.605 661 HA HIS 86 HA HIS 86 -17.582 -5.438 -10.474 662 1HB HIS 86 1HB HIS 86 -17.836 -4.404 -8.473 663 2HB HIS 86 2HB HIS 86 -19.060 -5.524 -7.911 664 HD1 HIS 86 HD1 HIS 86 -17.895 -8.114 -7.453 665 HD2 HIS 86 HD2 HIS 86 -15.528 -4.674 -7.060 666 HE1 HIS 86 HE1 HIS 86 -15.902 -8.779 -6.005 667 HE2 HIS 86 HE2 HIS 86 -14.456 -6.640 -5.844 668 H VAL 87 H VAL 87 -19.625 -8.137 -9.261 669 HA VAL 87 HA VAL 87 -17.585 -9.996 -8.924 670 HB VAL 87 HB VAL 87 -20.534 -10.071 -9.394 671 1HG1 VAL 87 1HG1 VAL 87 -20.242 -12.009 -10.563 672 2HG1 VAL 87 2HG1 VAL 87 -18.646 -12.335 -9.845 673 3HG1 VAL 87 3HG1 VAL 87 -20.126 -12.678 -8.918 674 1HG2 VAL 87 1HG2 VAL 87 -18.729 -10.152 -7.158 675 2HG2 VAL 87 2HG2 VAL 87 -20.507 -10.065 -7.165 676 3HG2 VAL 87 3HG2 VAL 87 -19.692 -11.648 -7.190 677 H GLU 88 H GLU 88 -19.518 -9.040 -11.813 678 HA GLU 88 HA GLU 88 -18.631 -11.041 -13.473 679 1HB GLU 88 1HB GLU 88 -20.465 -9.201 -13.799 680 2HB GLU 88 2HB GLU 88 -19.165 -8.216 -14.442 681 1HG GLU 88 1HG GLU 88 -19.812 -9.228 -16.416 682 2HG GLU 88 2HG GLU 88 -18.672 -10.445 -15.878 683 H PHE 89 H PHE 89 -17.254 -7.759 -12.811 684 HA PHE 89 HA PHE 89 -15.179 -7.941 -14.667 685 1HB PHE 89 1HB PHE 89 -16.014 -6.366 -12.257 686 2HB PHE 89 2HB PHE 89 -14.281 -6.362 -12.519 687 HD1 PHE 89 HD1 PHE 89 -13.479 -4.560 -13.691 688 HD2 PHE 89 HD2 PHE 89 -17.356 -6.012 -14.625 689 HE1 PHE 89 HE1 PHE 89 -13.743 -2.750 -15.411 690 HE2 PHE 89 HE2 PHE 89 -17.620 -4.202 -16.344 691 HZ PHE 89 HZ PHE 89 -15.810 -2.593 -16.716 692 H ALA 90 H ALA 90 -15.263 -8.629 -11.101 693 HA ALA 90 HA ALA 90 -12.597 -9.319 -10.841 694 1HB ALA 90 1HB ALA 90 -14.031 -10.934 -9.051 695 2HB ALA 90 2HB ALA 90 -13.427 -9.287 -8.747 696 3HB ALA 90 3HB ALA 90 -15.090 -9.530 -9.332 697 H THR 91 H THR 91 -15.460 -11.260 -11.853 698 HA THR 91 HA THR 91 -14.131 -13.737 -11.898 699 HB THR 91 HB THR 91 -16.562 -12.650 -13.415 700 HG1 THR 91 HG1 THR 91 -17.043 -12.689 -11.216 701 1HG2 THR 91 1HG2 THR 91 -15.600 -14.857 -14.325 702 2HG2 THR 91 2HG2 THR 91 -15.865 -15.542 -12.703 703 3HG2 THR 91 3HG2 THR 91 -17.249 -14.972 -13.666 704 H ILE 92 H ILE 92 -14.445 -11.111 -14.322 705 HA ILE 92 HA ILE 92 -13.257 -12.644 -16.390 706 HB ILE 92 HB ILE 92 -13.923 -9.749 -15.977 707 1HG1 ILE 92 1HG1 ILE 92 -14.863 -11.611 -18.158 708 2HG1 ILE 92 2HG1 ILE 92 -15.615 -11.611 -16.575 709 1HG2 ILE 92 1HG2 ILE 92 -12.556 -10.873 -18.436 710 2HG2 ILE 92 2HG2 ILE 92 -13.105 -9.200 -18.176 711 3HG2 ILE 92 3HG2 ILE 92 -11.768 -9.860 -17.203 712 1HD1 ILE 92 1HD1 ILE 92 -15.249 -9.078 -18.234 713 2HD1 ILE 92 2HD1 ILE 92 -16.720 -10.079 -18.280 714 3HD1 ILE 92 3HD1 ILE 92 -16.238 -9.274 -16.767 715 H PHE 93 H PHE 93 -12.064 -10.176 -14.033 716 HA PHE 93 HA PHE 93 -9.441 -10.165 -15.029 717 1HB PHE 93 1HB PHE 93 -10.922 -8.680 -13.292 718 2HB PHE 93 2HB PHE 93 -10.174 -9.731 -12.107 719 HD1 PHE 93 HD1 PHE 93 -9.926 -6.605 -13.191 720 HD2 PHE 93 HD2 PHE 93 -7.458 -10.052 -12.997 721 HE1 PHE 93 HE1 PHE 93 -7.885 -5.144 -13.184 722 HE2 PHE 93 HE2 PHE 93 -5.417 -8.591 -12.990 723 HZ PHE 93 HZ PHE 93 -5.655 -6.154 -13.084 724 H LEU 94 H LEU 94 -10.956 -11.850 -12.187 725 HA LEU 94 HA LEU 94 -8.614 -13.149 -11.400 726 1HB LEU 94 1HB LEU 94 -9.897 -14.132 -9.818 727 2HB LEU 94 2HB LEU 94 -10.912 -12.764 -10.227 728 HG LEU 94 HG LEU 94 -12.057 -14.436 -11.889 729 1HD1 LEU 94 1HD1 LEU 94 -10.169 -16.156 -10.564 730 2HD1 LEU 94 2HD1 LEU 94 -11.831 -16.688 -10.209 731 3HD1 LEU 94 3HD1 LEU 94 -11.292 -16.517 -11.897 732 1HD2 LEU 94 1HD2 LEU 94 -12.485 -14.639 -8.895 733 2HD2 LEU 94 2HD2 LEU 94 -13.140 -13.374 -9.962 734 3HD2 LEU 94 3HD2 LEU 94 -13.659 -15.064 -10.163 735 H GLY 95 H GLY 95 -10.928 -13.748 -13.995 736 1HA GLY 95 1HA GLY 95 -10.500 -16.476 -14.420 737 2HA GLY 95 2HA GLY 95 -10.996 -15.298 -15.620 738 H SER 96 H SER 96 -8.668 -13.552 -15.489 739 HA SER 96 HA SER 96 -6.616 -15.402 -16.421 740 1HB SER 96 1HB SER 96 -7.367 -12.722 -17.673 741 2HB SER 96 2HB SER 96 -6.039 -13.740 -18.193 742 HG SER 96 HG SER 96 -8.504 -15.081 -18.048 743 H LEU 97 H LEU 97 -6.421 -14.744 -13.839 744 HA LEU 97 HA LEU 97 -4.573 -12.459 -13.786 745 1HB LEU 97 1HB LEU 97 -6.348 -11.766 -12.488 746 2HB LEU 97 2HB LEU 97 -6.680 -13.373 -11.873 747 HG LEU 97 HG LEU 97 -4.046 -12.340 -11.071 748 1HD1 LEU 97 1HD1 LEU 97 -4.661 -10.567 -9.713 749 2HD1 LEU 97 2HD1 LEU 97 -5.624 -10.281 -11.183 750 3HD1 LEU 97 3HD1 LEU 97 -6.387 -11.000 -9.744 751 1HD2 LEU 97 1HD2 LEU 97 -4.373 -13.775 -9.408 752 2HD2 LEU 97 2HD2 LEU 97 -5.904 -12.994 -8.946 753 3HD2 LEU 97 3HD2 LEU 97 -5.891 -14.251 -10.206 754 H ASP 98 H ASP 98 -2.628 -12.703 -12.549 755 HA ASP 98 HA ASP 98 -1.822 -15.463 -12.466 756 1HB ASP 98 1HB ASP 98 -0.454 -13.512 -13.478 757 2HB ASP 98 2HB ASP 98 -0.152 -12.993 -11.831 758 H LYS 99 H LYS 99 -1.656 -12.478 -10.370 759 HA LYS 99 HA LYS 99 -2.246 -14.106 -8.052 760 1HB LYS 99 1HB LYS 99 -0.272 -13.084 -6.820 761 2HB LYS 99 2HB LYS 99 0.087 -14.369 -7.956 762 1HG LYS 99 1HG LYS 99 0.762 -12.735 -9.673 763 2HG LYS 99 2HG LYS 99 0.263 -11.401 -8.653 764 1HD LYS 99 1HD LYS 99 2.165 -13.241 -7.315 765 2HD LYS 99 2HD LYS 99 2.829 -12.491 -8.753 766 1HE LYS 99 1HE LYS 99 1.952 -10.240 -7.804 767 2HE LYS 99 2HE LYS 99 1.676 -11.096 -6.300 768 1HZ LYS 99 1HZ LYS 99 3.788 -10.446 -5.985 769 2HZ LYS 99 2HZ LYS 99 4.134 -11.834 -6.772 770 3HZ LYS 99 3HZ LYS 99 4.175 -10.411 -7.572 771 H VAL 100 H VAL 100 -3.065 -12.848 -6.274 772 HA VAL 100 HA VAL 100 -3.386 -10.002 -6.803 773 HB VAL 100 HB VAL 100 -5.347 -10.727 -7.805 774 1HG1 VAL 100 1HG1 VAL 100 -6.742 -12.538 -7.111 775 2HG1 VAL 100 2HG1 VAL 100 -5.062 -13.127 -7.063 776 3HG1 VAL 100 3HG1 VAL 100 -5.893 -12.682 -5.553 777 1HG2 VAL 100 1HG2 VAL 100 -6.354 -10.468 -4.972 778 2HG2 VAL 100 2HG2 VAL 100 -5.599 -9.094 -5.816 779 3HG2 VAL 100 3HG2 VAL 100 -7.068 -9.850 -6.481 780 H LEU 101 H LEU 101 -3.335 -8.777 -4.935 781 HA LEU 101 HA LEU 101 -3.486 -10.268 -2.417 782 1HB LEU 101 1HB LEU 101 -1.212 -10.127 -2.574 783 2HB LEU 101 2HB LEU 101 -1.241 -8.631 -3.486 784 HG LEU 101 HG LEU 101 -0.299 -8.426 -1.189 785 1HD1 LEU 101 1HD1 LEU 101 -2.702 -6.694 -1.096 786 2HD1 LEU 101 2HD1 LEU 101 -0.973 -6.278 -1.025 787 3HD1 LEU 101 3HD1 LEU 101 -1.739 -6.633 -2.592 788 1HD2 LEU 101 1HD2 LEU 101 -1.888 -10.063 -0.143 789 2HD2 LEU 101 2HD2 LEU 101 -1.666 -8.545 0.760 790 3HD2 LEU 101 3HD2 LEU 101 -3.138 -8.797 -0.209 791 H VAL 102 H VAL 102 -5.101 -9.450 -1.208 792 HA VAL 102 HA VAL 102 -5.887 -6.682 -1.739 793 HB VAL 102 HB VAL 102 -7.661 -8.204 -2.056 794 1HG1 VAL 102 1HG1 VAL 102 -7.330 -10.245 -1.143 795 2HG1 VAL 102 2HG1 VAL 102 -6.485 -9.588 0.280 796 3HG1 VAL 102 3HG1 VAL 102 -8.264 -9.579 0.218 797 1HG2 VAL 102 1HG2 VAL 102 -7.886 -6.115 -0.387 798 2HG2 VAL 102 2HG2 VAL 102 -9.257 -7.174 -0.794 799 3HG2 VAL 102 3HG2 VAL 102 -8.370 -7.414 0.730 800 H ILE 103 H ILE 103 -5.267 -5.123 -0.341 801 HA ILE 103 HA ILE 103 -4.903 -5.903 2.454 802 HB ILE 103 HB ILE 103 -2.918 -4.400 0.750 803 1HG1 ILE 103 1HG1 ILE 103 -3.072 -7.023 0.867 804 2HG1 ILE 103 2HG1 ILE 103 -1.522 -6.205 0.911 805 1HG2 ILE 103 1HG2 ILE 103 -3.098 -4.695 3.753 806 2HG2 ILE 103 2HG2 ILE 103 -1.590 -4.285 2.901 807 3HG2 ILE 103 3HG2 ILE 103 -2.998 -3.202 2.789 808 1HD1 ILE 103 1HD1 ILE 103 -1.172 -6.665 3.162 809 2HD1 ILE 103 2HD1 ILE 103 -2.911 -6.661 3.541 810 3HD1 ILE 103 3HD1 ILE 103 -2.181 -8.067 2.729 811 H ASP 104 H ASP 104 -5.366 -4.232 3.967 812 HA ASP 104 HA ASP 104 -6.854 -2.065 2.724 813 1HB ASP 104 1HB ASP 104 -8.187 -3.459 4.232 814 2HB ASP 104 2HB ASP 104 -6.983 -3.329 5.498 815 H TYR 105 H TYR 105 -6.272 0.107 3.236 816 HA TYR 105 HA TYR 105 -3.961 0.390 5.037 817 1HB TYR 105 1HB TYR 105 -3.617 0.811 2.545 818 2HB TYR 105 2HB TYR 105 -4.933 1.968 2.572 819 HD1 TYR 105 HD1 TYR 105 -1.433 1.588 2.763 820 HD2 TYR 105 HD2 TYR 105 -4.640 3.963 4.306 821 HE1 TYR 105 HE1 TYR 105 0.206 3.449 3.324 822 HE2 TYR 105 HE2 TYR 105 -2.990 5.816 4.862 823 HH TYR 105 HH TYR 105 0.442 5.303 4.629 824 H LYS 106 H LYS 106 -4.585 1.271 6.948 825 HA LYS 106 HA LYS 106 -6.551 3.449 6.792 826 1HB LYS 106 1HB LYS 106 -6.984 0.993 7.983 827 2HB LYS 106 2HB LYS 106 -6.460 1.978 9.334 828 1HG LYS 106 1HG LYS 106 -8.205 3.603 8.966 829 2HG LYS 106 2HG LYS 106 -8.568 2.969 7.373 830 1HD LYS 106 1HD LYS 106 -9.959 1.368 8.209 831 2HD LYS 106 2HD LYS 106 -8.803 0.883 9.433 832 1HE LYS 106 1HE LYS 106 -10.293 3.501 9.764 833 2HE LYS 106 2HE LYS 106 -11.111 1.998 10.141 834 1HZ LYS 106 1HZ LYS 106 -10.119 2.350 12.099 835 2HZ LYS 106 2HZ LYS 106 -8.837 1.621 11.398 836 3HZ LYS 106 3HZ LYS 106 -8.900 3.250 11.490 837 HA PRO 107 HA PRO 107 -3.351 5.683 8.671 838 1HB PRO 107 1HB PRO 107 -4.704 7.998 9.198 839 2HB PRO 107 2HB PRO 107 -4.013 7.627 7.631 840 1HG PRO 107 1HG PRO 107 -6.847 7.557 8.471 841 2HG PRO 107 2HG PRO 107 -6.183 7.611 6.850 842 1HD PRO 107 1HD PRO 107 -7.280 5.319 8.180 843 2HD PRO 107 2HD PRO 107 -6.511 5.348 6.606 844 H THR 108 H THR 108 -2.868 4.401 10.452 845 HA THR 108 HA THR 108 -4.097 5.497 12.880 846 HB THR 108 HB THR 108 -4.088 2.654 11.856 847 HG1 THR 108 HG1 THR 108 -6.128 3.583 11.986 848 1HG2 THR 108 1HG2 THR 108 -2.987 2.116 13.885 849 2HG2 THR 108 2HG2 THR 108 -3.642 3.542 14.725 850 3HG2 THR 108 3HG2 THR 108 -4.692 2.143 14.394 851 H SER 109 H SER 109 -2.048 6.775 12.715 852 HA SER 109 HA SER 109 0.348 5.293 13.097 853 1HB SER 109 1HB SER 109 1.273 7.678 13.537 854 2HB SER 109 2HB SER 109 0.664 7.321 11.933 855 HG SER 109 HG SER 109 -0.068 9.396 12.994 856 H VAL 110 H VAL 110 1.797 5.699 15.054 857 HA VAL 110 HA VAL 110 0.130 5.636 17.449 858 HB VAL 110 HB VAL 110 2.957 4.753 16.854 859 1HG1 VAL 110 1HG1 VAL 110 2.800 3.741 19.201 860 2HG1 VAL 110 2HG1 VAL 110 3.066 5.498 19.093 861 3HG1 VAL 110 3HG1 VAL 110 1.446 4.865 19.473 862 1HG2 VAL 110 1HG2 VAL 110 0.604 3.064 17.734 863 2HG2 VAL 110 2HG2 VAL 110 0.971 3.383 16.022 864 3HG2 VAL 110 3HG2 VAL 110 2.155 2.532 17.043 865 H SER 111 H SER 111 0.481 7.029 19.220 866 HA SER 111 HA SER 111 1.464 9.556 18.477 867 1HB SER 111 1HB SER 111 1.184 9.545 21.278 868 2HB SER 111 2HB SER 111 -0.013 10.065 20.109 869 HG SER 111 HG SER 111 0.215 7.564 21.480 870 H LEU 112 H LEU 112 3.464 10.510 18.879 871 HA LEU 112 HA LEU 112 5.444 8.766 20.135 872 1HB LEU 112 1HB LEU 112 5.850 11.232 18.440 873 2HB LEU 112 2HB LEU 112 7.090 10.127 19.000 874 HG LEU 112 HG LEU 112 4.846 9.091 17.290 875 1HD1 LEU 112 1HD1 LEU 112 6.007 9.641 15.262 876 2HD1 LEU 112 2HD1 LEU 112 5.734 11.139 16.184 877 3HD1 LEU 112 3HD1 LEU 112 7.346 10.383 16.170 878 1HD2 LEU 112 1HD2 LEU 112 6.097 7.300 17.975 879 2HD2 LEU 112 2HD2 LEU 112 6.952 7.729 16.474 880 3HD2 LEU 112 3HD2 LEU 112 7.609 8.235 18.049 881 1H GLY 1 1H GLY 1 5.251 25.059 13.814 882 1HA GLY 1 1HA GLY 1 2.911 23.494 14.019 883 2HA GLY 1 2HA GLY 1 3.724 23.994 12.550 884 H SER 2 H SER 2 3.930 21.604 15.263 885 HA SER 2 HA SER 2 5.703 19.953 13.803 886 1HB SER 2 1HB SER 2 4.614 20.096 16.480 887 2HB SER 2 2HB SER 2 4.389 18.466 15.876 888 HG SER 2 HG SER 2 6.699 18.454 15.311 889 H HIS 3 H HIS 3 2.172 19.987 14.562 890 HA HIS 3 HA HIS 3 1.798 17.585 12.998 891 1HB HIS 3 1HB HIS 3 0.057 19.271 14.780 892 2HB HIS 3 2HB HIS 3 -0.674 18.143 13.656 893 HD1 HIS 3 HD1 HIS 3 2.176 17.944 16.235 894 HD2 HIS 3 HD2 HIS 3 -1.116 15.743 14.853 895 HE1 HIS 3 HE1 HIS 3 2.094 15.819 17.646 896 H MET 4 H MET 4 2.739 18.781 11.052 897 HA MET 4 HA MET 4 0.611 20.359 9.824 898 1HB MET 4 1HB MET 4 3.639 20.521 9.764 899 2HB MET 4 2HB MET 4 2.773 21.025 8.327 900 1HG MET 4 1HG MET 4 1.345 22.534 9.851 901 2HG MET 4 2HG MET 4 2.467 22.159 11.144 902 1HE MET 4 1HE MET 4 2.477 24.550 7.576 903 2HE MET 4 2HE MET 4 1.319 24.283 8.901 904 3HE MET 4 3HE MET 4 2.502 25.608 9.008 905 H GLU 5 H GLU 5 -0.407 18.330 9.102 906 HA GLU 5 HA GLU 5 1.087 16.580 7.461 907 1HB GLU 5 1HB GLU 5 -1.460 16.593 8.759 908 2HB GLU 5 2HB GLU 5 -1.775 16.337 7.054 909 1HG GLU 5 1HG GLU 5 -0.816 14.255 7.054 910 2HG GLU 5 2HG GLU 5 0.529 14.765 8.056 911 H GLU 6 H GLU 6 1.171 16.431 5.197 912 HA GLU 6 HA GLU 6 0.098 18.773 3.852 913 1HB GLU 6 1HB GLU 6 2.560 17.172 3.600 914 2HB GLU 6 2HB GLU 6 1.790 17.454 2.051 915 1HG GLU 6 1HG GLU 6 1.592 19.956 3.260 916 2HG GLU 6 2HG GLU 6 3.131 19.379 3.869 917 H ALA 7 H ALA 7 -1.763 18.506 2.705 918 HA ALA 7 HA ALA 7 -2.770 15.896 2.192 919 1HB ALA 7 1HB ALA 7 -4.625 17.174 1.124 920 2HB ALA 7 2HB ALA 7 -4.237 17.771 2.756 921 3HB ALA 7 3HB ALA 7 -3.680 18.669 1.324 922 H LYS 8 H LYS 8 -3.849 15.837 -0.291 923 HA LYS 8 HA LYS 8 -3.246 15.072 -2.299 924 1HB LYS 8 1HB LYS 8 -1.962 17.815 -2.458 925 2HB LYS 8 2HB LYS 8 -2.478 16.831 -3.812 926 1HG LYS 8 1HG LYS 8 -4.606 17.218 -1.787 927 2HG LYS 8 2HG LYS 8 -4.047 18.723 -2.490 928 1HD LYS 8 1HD LYS 8 -4.480 17.882 -4.765 929 2HD LYS 8 2HD LYS 8 -4.882 16.294 -4.143 930 1HE LYS 8 1HE LYS 8 -6.989 16.939 -3.465 931 2HE LYS 8 2HE LYS 8 -6.448 18.516 -2.923 932 1HZ LYS 8 1HZ LYS 8 -6.328 18.104 -5.759 933 2HZ LYS 8 2HZ LYS 8 -7.836 18.116 -5.132 934 3HZ LYS 8 3HZ LYS 8 -6.851 19.400 -4.915 935 H GLY 9 H GLY 9 -1.817 13.463 -1.088 936 1HA GLY 9 1HA GLY 9 0.089 12.276 -1.026 937 2HA GLY 9 2HA GLY 9 0.610 13.165 -2.444 938 HA PRO 10 HA PRO 10 1.423 14.627 -3.125 939 1HB PRO 10 1HB PRO 10 3.950 15.266 -3.947 940 2HB PRO 10 2HB PRO 10 2.738 16.469 -3.553 941 1HG PRO 10 1HG PRO 10 5.092 15.626 -1.977 942 2HG PRO 10 2HG PRO 10 4.130 17.082 -1.820 943 1HD PRO 10 1HD PRO 10 4.030 14.769 -0.127 944 2HD PRO 10 2HD PRO 10 2.990 16.176 -0.041 945 H VAL 11 H VAL 11 4.438 13.242 -1.905 946 HA VAL 11 HA VAL 11 3.725 10.836 -3.422 947 HB VAL 11 HB VAL 11 6.453 12.129 -3.234 948 1HG1 VAL 11 1HG1 VAL 11 6.651 10.195 -5.156 949 2HG1 VAL 11 2HG1 VAL 11 7.157 9.997 -3.461 950 3HG1 VAL 11 3HG1 VAL 11 5.559 9.416 -3.986 951 1HG2 VAL 11 1HG2 VAL 11 6.252 12.487 -5.643 952 2HG2 VAL 11 2HG2 VAL 11 4.626 11.762 -5.633 953 3HG2 VAL 11 3HG2 VAL 11 4.922 13.296 -4.779 954 H LYS 12 H LYS 12 3.716 9.021 -2.184 955 HA LYS 12 HA LYS 12 5.086 9.224 0.408 956 1HB LYS 12 1HB LYS 12 2.457 7.908 -0.315 957 2HB LYS 12 2HB LYS 12 3.308 7.587 1.182 958 1HG LYS 12 1HG LYS 12 3.238 10.005 1.766 959 2HG LYS 12 2HG LYS 12 2.445 10.365 0.245 960 1HD LYS 12 1HD LYS 12 0.650 8.594 1.045 961 2HD LYS 12 2HD LYS 12 1.342 8.856 2.634 962 1HE LYS 12 1HE LYS 12 0.208 10.808 2.857 963 2HE LYS 12 2HE LYS 12 0.932 11.439 1.391 964 1HZ LYS 12 1HZ LYS 12 -1.234 11.364 0.806 965 2HZ LYS 12 2HZ LYS 12 -0.812 9.868 0.307 966 3HZ LYS 12 3HZ LYS 12 -1.596 10.065 1.726 967 H HIS 13 H HIS 13 6.597 7.687 0.881 968 HA HIS 13 HA HIS 13 7.139 5.782 -1.219 969 1HB HIS 13 1HB HIS 13 9.036 6.970 -0.473 970 2HB HIS 13 2HB HIS 13 8.634 6.742 1.217 971 HD1 HIS 13 HD1 HIS 13 10.694 5.356 -1.449 972 HD2 HIS 13 HD2 HIS 13 8.907 3.885 2.049 973 HE1 HIS 13 HE1 HIS 13 11.887 3.168 -0.903 974 HE2 HIS 13 HE2 HIS 13 10.783 2.339 1.285 975 H VAL 14 H VAL 14 6.208 3.803 -1.202 976 HA VAL 14 HA VAL 14 5.375 2.748 1.401 977 HB VAL 14 HB VAL 14 4.375 2.551 -1.395 978 1HG1 VAL 14 1HG1 VAL 14 3.026 0.508 -0.705 979 2HG1 VAL 14 2HG1 VAL 14 4.750 0.230 -1.049 980 3HG1 VAL 14 3HG1 VAL 14 4.181 0.312 0.635 981 1HG2 VAL 14 1HG2 VAL 14 2.358 3.165 -0.485 982 2HG2 VAL 14 2HG2 VAL 14 2.677 2.346 1.063 983 3HG2 VAL 14 3HG2 VAL 14 3.463 3.902 0.700 984 H LEU 15 H LEU 15 6.238 0.862 2.206 985 HA LEU 15 HA LEU 15 7.983 -0.650 0.410 986 1HB LEU 15 1HB LEU 15 9.372 0.930 1.662 987 2HB LEU 15 2HB LEU 15 8.729 0.319 3.173 988 HG LEU 15 HG LEU 15 10.913 -0.605 2.827 989 1HD1 LEU 15 1HD1 LEU 15 8.875 -2.056 3.628 990 2HD1 LEU 15 2HD1 LEU 15 9.189 -2.950 2.121 991 3HD1 LEU 15 3HD1 LEU 15 10.470 -2.796 3.348 992 1HD2 LEU 15 1HD2 LEU 15 10.580 -0.362 0.208 993 2HD2 LEU 15 2HD2 LEU 15 11.747 -1.511 0.906 994 3HD2 LEU 15 3HD2 LEU 15 10.158 -2.085 0.347 995 H LEU 16 H LEU 16 7.207 -2.681 0.320 996 HA LEU 16 HA LEU 16 5.820 -3.668 2.710 997 1HB LEU 16 1HB LEU 16 5.442 -5.178 0.247 998 2HB LEU 16 2HB LEU 16 4.270 -4.584 1.407 999 HG LEU 16 HG LEU 16 4.746 -2.255 0.272 1000 1HD1 LEU 16 1HD1 LEU 16 6.153 -2.280 -1.443 1001 2HD1 LEU 16 2HD1 LEU 16 6.271 -4.055 -1.388 1002 3HD1 LEU 16 3HD1 LEU 16 4.980 -3.277 -2.336 1003 1HD2 LEU 16 1HD2 LEU 16 2.639 -2.532 -0.358 1004 2HD2 LEU 16 2HD2 LEU 16 3.132 -3.650 -1.653 1005 3HD2 LEU 16 3HD2 LEU 16 2.793 -4.273 -0.020 1006 H ALA 17 H ALA 17 6.465 -5.586 3.680 1007 HA ALA 17 HA ALA 17 8.340 -7.306 2.386 1008 1HB ALA 17 1HB ALA 17 10.282 -6.813 3.552 1009 2HB ALA 17 2HB ALA 17 9.598 -5.180 3.366 1010 3HB ALA 17 3HB ALA 17 9.407 -6.055 4.904 1011 H SER 18 H SER 18 8.692 -9.276 3.654 1012 HA SER 18 HA SER 18 6.735 -9.480 5.808 1013 1HB SER 18 1HB SER 18 6.451 -10.749 3.456 1014 2HB SER 18 2HB SER 18 7.539 -11.900 4.206 1015 HG SER 18 HG SER 18 5.193 -12.302 4.546 1016 H PHE 19 H PHE 19 7.404 -10.553 7.717 1017 HA PHE 19 HA PHE 19 10.241 -10.769 8.029 1018 1HB PHE 19 1HB PHE 19 7.706 -11.103 9.705 1019 2HB PHE 19 2HB PHE 19 9.242 -11.613 10.377 1020 HD1 PHE 19 HD1 PHE 19 10.984 -9.963 10.891 1021 HD2 PHE 19 HD2 PHE 19 7.188 -8.763 9.421 1022 HE1 PHE 19 HE1 PHE 19 11.443 -7.607 11.626 1023 HE2 PHE 19 HE2 PHE 19 7.648 -6.408 10.156 1024 HZ PHE 19 HZ PHE 19 9.770 -5.858 11.251 1025 H LYS 20 H LYS 20 11.372 -12.559 7.448 1026 HA LYS 20 HA LYS 20 9.947 -15.098 7.377 1027 1HB LYS 20 1HB LYS 20 11.599 -13.949 5.560 1028 2HB LYS 20 2HB LYS 20 12.763 -14.904 6.456 1029 1HG LYS 20 1HG LYS 20 10.577 -16.651 6.142 1030 2HG LYS 20 2HG LYS 20 10.639 -15.793 4.616 1031 1HD LYS 20 1HD LYS 20 13.298 -16.668 5.637 1032 2HD LYS 20 2HD LYS 20 12.204 -17.983 5.254 1033 1HE LYS 20 1HE LYS 20 11.778 -16.682 3.005 1034 2HE LYS 20 2HE LYS 20 13.241 -15.804 3.406 1035 1HZ LYS 20 1HZ LYS 20 13.360 -18.683 3.606 1036 2HZ LYS 20 2HZ LYS 20 13.275 -18.058 2.100 1037 3HZ LYS 20 3HZ LYS 20 14.496 -17.627 3.095 1038 H ASP 21 H ASP 21 12.387 -16.702 7.693 1039 HA ASP 21 HA ASP 21 13.550 -17.691 9.232 1040 1HB ASP 21 1HB ASP 21 14.069 -15.011 9.711 1041 2HB ASP 21 2HB ASP 21 13.483 -15.527 11.280 1042 H GLY 22 H GLY 22 13.419 -18.452 11.684 1043 1HA GLY 22 1HA GLY 22 10.614 -18.861 12.308 1044 2HA GLY 22 2HA GLY 22 12.003 -19.641 13.039 1045 H VAL 23 H VAL 23 11.798 -16.096 12.629 1046 HA VAL 23 HA VAL 23 12.191 -15.746 15.435 1047 HB VAL 23 HB VAL 23 12.943 -14.386 13.255 1048 1HG1 VAL 23 1HG1 VAL 23 11.706 -12.371 12.920 1049 2HG1 VAL 23 2HG1 VAL 23 10.542 -13.714 12.823 1050 3HG1 VAL 23 3HG1 VAL 23 10.634 -12.720 14.297 1051 1HG2 VAL 23 1HG2 VAL 23 13.828 -12.781 14.701 1052 2HG2 VAL 23 2HG2 VAL 23 12.417 -12.831 15.784 1053 3HG2 VAL 23 3HG2 VAL 23 13.573 -14.184 15.767 1054 H SER 24 H SER 24 10.686 -15.391 17.002 1055 HA SER 24 HA SER 24 8.062 -15.933 16.564 1056 1HB SER 24 1HB SER 24 8.969 -14.038 18.756 1057 2HB SER 24 2HB SER 24 7.682 -15.226 18.819 1058 HG SER 24 HG SER 24 9.335 -16.912 18.642 1059 HA PRO 25 HA PRO 25 6.308 -12.239 15.078 1060 1HB PRO 25 1HB PRO 25 3.768 -12.312 16.085 1061 2HB PRO 25 2HB PRO 25 4.273 -13.243 14.688 1062 1HG PRO 25 1HG PRO 25 3.774 -14.169 17.451 1063 2HG PRO 25 2HG PRO 25 3.859 -15.111 15.976 1064 1HD PRO 25 1HD PRO 25 5.882 -14.904 17.998 1065 2HD PRO 25 2HD PRO 25 6.011 -15.752 16.470 1066 H GLU 26 H GLU 26 6.053 -12.718 18.517 1067 HA GLU 26 HA GLU 26 5.273 -10.176 19.177 1068 1HB GLU 26 1HB GLU 26 6.677 -12.427 20.546 1069 2HB GLU 26 2HB GLU 26 6.877 -10.854 21.293 1070 1HG GLU 26 1HG GLU 26 4.531 -10.580 21.642 1071 2HG GLU 26 2HG GLU 26 4.116 -11.808 20.463 1072 H LYS 27 H LYS 27 8.380 -11.407 18.035 1073 HA LYS 27 HA LYS 27 9.901 -9.187 18.977 1074 1HB LYS 27 1HB LYS 27 10.792 -11.496 18.542 1075 2HB LYS 27 2HB LYS 27 10.593 -11.207 16.826 1076 1HG LYS 27 1HG LYS 27 12.059 -9.081 18.349 1077 2HG LYS 27 2HG LYS 27 12.884 -10.620 18.196 1078 1HD LYS 27 1HD LYS 27 12.522 -10.536 15.702 1079 2HD LYS 27 2HD LYS 27 11.766 -8.965 15.882 1080 1HE LYS 27 1HE LYS 27 13.801 -7.966 15.850 1081 2HE LYS 27 2HE LYS 27 14.272 -8.852 17.287 1082 1HZ LYS 27 1HZ LYS 27 14.861 -9.416 14.533 1083 2HZ LYS 27 2HZ LYS 27 15.743 -9.724 15.873 1084 3HZ LYS 27 3HZ LYS 27 14.525 -10.725 15.450 1085 H ILE 28 H ILE 28 7.972 -9.984 16.100 1086 HA ILE 28 HA ILE 28 9.038 -8.045 14.396 1087 HB ILE 28 HB ILE 28 6.759 -9.852 14.497 1088 1HG1 ILE 28 1HG1 ILE 28 7.298 -9.613 11.909 1089 2HG1 ILE 28 2HG1 ILE 28 8.759 -8.851 12.506 1090 1HG2 ILE 28 1HG2 ILE 28 6.409 -7.215 13.046 1091 2HG2 ILE 28 2HG2 ILE 28 5.373 -8.651 12.862 1092 3HG2 ILE 28 3HG2 ILE 28 5.450 -7.804 14.425 1093 1HD1 ILE 28 1HD1 ILE 28 9.634 -10.886 12.957 1094 2HD1 ILE 28 2HD1 ILE 28 8.312 -11.196 14.108 1095 3HD1 ILE 28 3HD1 ILE 28 8.130 -11.657 12.398 1096 H GLU 29 H GLU 29 6.248 -7.950 16.706 1097 HA GLU 29 HA GLU 29 5.578 -5.323 16.113 1098 1HB GLU 29 1HB GLU 29 4.325 -5.421 18.290 1099 2HB GLU 29 2HB GLU 29 4.001 -6.785 17.238 1100 1HG GLU 29 1HG GLU 29 5.447 -8.244 18.519 1101 2HG GLU 29 2HG GLU 29 6.143 -6.899 19.402 1102 H GLU 30 H GLU 30 8.024 -6.778 18.242 1103 HA GLU 30 HA GLU 30 8.459 -4.592 19.875 1104 1HB GLU 30 1HB GLU 30 9.890 -7.090 19.147 1105 2HB GLU 30 2HB GLU 30 10.943 -5.799 19.691 1106 1HG GLU 30 1HG GLU 30 8.649 -5.843 21.438 1107 2HG GLU 30 2HG GLU 30 9.220 -7.492 21.274 1108 H LEU 31 H LEU 31 9.810 -5.501 16.659 1109 HA LEU 31 HA LEU 31 11.727 -3.464 16.554 1110 1HB LEU 31 1HB LEU 31 10.704 -5.554 14.883 1111 2HB LEU 31 2HB LEU 31 10.807 -4.078 13.944 1112 HG LEU 31 HG LEU 31 13.085 -5.318 15.513 1113 1HD1 LEU 31 1HD1 LEU 31 12.781 -5.194 12.508 1114 2HD1 LEU 31 2HD1 LEU 31 13.985 -6.092 13.464 1115 3HD1 LEU 31 3HD1 LEU 31 12.277 -6.594 13.485 1116 1HD2 LEU 31 1HD2 LEU 31 13.713 -3.123 15.486 1117 2HD2 LEU 31 2HD2 LEU 31 14.349 -3.638 13.905 1118 3HD2 LEU 31 3HD2 LEU 31 12.804 -2.759 13.999 1119 H ILE 32 H ILE 32 8.252 -3.620 15.634 1120 HA ILE 32 HA ILE 32 8.238 -1.063 14.430 1121 HB ILE 32 HB ILE 32 6.035 -2.810 15.528 1122 1HG1 ILE 32 1HG1 ILE 32 6.858 -2.352 12.651 1123 2HG1 ILE 32 2HG1 ILE 32 7.459 -3.682 13.620 1124 1HG2 ILE 32 1HG2 ILE 32 5.657 -0.514 13.610 1125 2HG2 ILE 32 2HG2 ILE 32 4.434 -1.417 14.536 1126 3HG2 ILE 32 3HG2 ILE 32 5.540 -0.301 15.373 1127 1HD1 ILE 32 1HD1 ILE 32 5.399 -4.765 13.684 1128 2HD1 ILE 32 2HD1 ILE 32 4.479 -3.247 13.552 1129 3HD1 ILE 32 3HD1 ILE 32 5.261 -3.942 12.112 1130 H LYS 33 H LYS 33 7.907 -2.291 17.753 1131 HA LYS 33 HA LYS 33 6.760 0.017 18.851 1132 1HB LYS 33 1HB LYS 33 7.988 -2.481 19.801 1133 2HB LYS 33 2HB LYS 33 8.225 -1.128 20.889 1134 1HG LYS 33 1HG LYS 33 5.472 -1.524 19.721 1135 2HG LYS 33 2HG LYS 33 5.997 -2.636 20.970 1136 1HD LYS 33 1HD LYS 33 6.003 0.409 21.228 1137 2HD LYS 33 2HD LYS 33 4.779 -0.650 21.899 1138 1HE LYS 33 1HE LYS 33 6.077 -1.158 23.699 1139 2HE LYS 33 2HE LYS 33 7.449 -1.559 22.685 1140 1HZ LYS 33 1HZ LYS 33 8.285 0.489 22.903 1141 2HZ LYS 33 2HZ LYS 33 6.837 1.243 22.899 1142 3HZ LYS 33 3HZ LYS 33 7.385 0.537 24.265 1143 H GLY 34 H GLY 34 10.163 -0.999 18.254 1144 1HA GLY 34 1HA GLY 34 11.282 1.303 19.540 1145 2HA GLY 34 2HA GLY 34 12.109 0.120 18.545 1146 H TYR 35 H TYR 35 10.665 0.270 16.115 1147 HA TYR 35 HA TYR 35 11.900 2.205 14.726 1148 1HB TYR 35 1HB TYR 35 9.620 0.394 14.524 1149 2HB TYR 35 2HB TYR 35 9.143 1.914 13.795 1150 HD1 TYR 35 HD1 TYR 35 10.767 2.915 12.006 1151 HD2 TYR 35 HD2 TYR 35 10.844 -1.169 13.279 1152 HE1 TYR 35 HE1 TYR 35 11.984 2.265 9.870 1153 HE2 TYR 35 HE2 TYR 35 12.061 -1.805 11.139 1154 HH TYR 35 HH TYR 35 13.655 0.206 9.308 1155 H ALA 36 H ALA 36 8.680 2.520 16.356 1156 HA ALA 36 HA ALA 36 8.089 5.067 15.451 1157 1HB ALA 36 1HB ALA 36 6.694 3.310 16.775 1158 2HB ALA 36 2HB ALA 36 7.393 4.075 18.222 1159 3HB ALA 36 3HB ALA 36 6.407 5.038 17.095 1160 H ASN 37 H ASN 37 10.111 3.934 18.203 1161 HA ASN 37 HA ASN 37 10.462 6.506 19.255 1162 1HB ASN 37 1HB ASN 37 10.837 4.437 20.589 1163 2HB ASN 37 2HB ASN 37 12.149 3.963 19.528 1164 1HD2 ASN 37 1HD2 ASN 37 14.082 4.344 20.265 1165 2HD2 ASN 37 2HD2 ASN 37 14.577 5.620 21.326 1166 H LEU 38 H LEU 38 12.153 4.421 16.868 1167 HA LEU 38 HA LEU 38 14.498 5.978 16.698 1168 1HB LEU 38 1HB LEU 38 14.246 3.589 16.049 1169 2HB LEU 38 2HB LEU 38 13.297 4.094 14.665 1170 HG LEU 38 HG LEU 38 15.631 5.604 14.445 1171 1HD1 LEU 38 1HD1 LEU 38 16.604 2.806 14.873 1172 2HD1 LEU 38 2HD1 LEU 38 17.489 4.350 14.926 1173 3HD1 LEU 38 3HD1 LEU 38 16.426 3.887 16.276 1174 1HD2 LEU 38 1HD2 LEU 38 15.809 4.610 12.398 1175 2HD2 LEU 38 2HD2 LEU 38 15.438 2.985 13.022 1176 3HD2 LEU 38 3HD2 LEU 38 14.131 4.172 12.797 1177 H VAL 39 H VAL 39 11.358 5.949 14.930 1178 HA VAL 39 HA VAL 39 12.090 7.810 12.984 1179 HB VAL 39 HB VAL 39 9.461 6.995 14.217 1180 1HG1 VAL 39 1HG1 VAL 39 10.024 9.037 12.070 1181 2HG1 VAL 39 2HG1 VAL 39 8.511 8.098 12.067 1182 3HG1 VAL 39 3HG1 VAL 39 8.913 9.134 13.458 1183 1HG2 VAL 39 1HG2 VAL 39 9.897 5.197 12.936 1184 2HG2 VAL 39 2HG2 VAL 39 9.452 6.250 11.571 1185 3HG2 VAL 39 3HG2 VAL 39 11.164 6.041 12.013 1186 H ASN 40 H ASN 40 11.089 8.126 16.387 1187 HA ASN 40 HA ASN 40 10.437 10.824 16.262 1188 1HB ASN 40 1HB ASN 40 9.798 9.397 18.178 1189 2HB ASN 40 2HB ASN 40 11.481 9.093 18.562 1190 1HD2 ASN 40 1HD2 ASN 40 12.265 10.213 20.161 1191 2HD2 ASN 40 2HD2 ASN 40 11.787 11.795 20.678 1192 H LEU 41 H LEU 41 13.471 8.994 16.430 1193 HA LEU 41 HA LEU 41 15.042 11.210 17.345 1194 1HB LEU 41 1HB LEU 41 15.316 8.429 17.186 1195 2HB LEU 41 2HB LEU 41 16.515 9.065 16.077 1196 HG LEU 41 HG LEU 41 17.448 8.694 18.302 1197 1HD1 LEU 41 1HD1 LEU 41 17.873 10.854 16.714 1198 2HD1 LEU 41 2HD1 LEU 41 17.473 11.647 18.257 1199 3HD1 LEU 41 3HD1 LEU 41 18.812 10.477 18.178 1200 1HD2 LEU 41 1HD2 LEU 41 15.982 10.941 19.559 1201 2HD2 LEU 41 2HD2 LEU 41 15.062 9.437 19.317 1202 3HD2 LEU 41 3HD2 LEU 41 16.575 9.414 20.255 1203 H ILE 42 H ILE 42 14.532 9.452 14.217 1204 HA ILE 42 HA ILE 42 16.272 10.941 12.692 1205 HB ILE 42 HB ILE 42 13.655 9.626 11.965 1206 1HG1 ILE 42 1HG1 ILE 42 16.421 8.551 11.447 1207 2HG1 ILE 42 2HG1 ILE 42 15.643 8.301 12.997 1208 1HG2 ILE 42 1HG2 ILE 42 15.875 10.599 10.145 1209 2HG2 ILE 42 2HG2 ILE 42 14.458 9.642 9.651 1210 3HG2 ILE 42 3HG2 ILE 42 14.242 11.293 10.281 1211 1HD1 ILE 42 1HD1 ILE 42 13.685 7.717 10.982 1212 2HD1 ILE 42 2HD1 ILE 42 15.194 6.892 10.522 1213 3HD1 ILE 42 3HD1 ILE 42 14.462 6.587 12.116 1214 H GLU 43 H GLU 43 16.414 13.110 12.518 1215 HA GLU 43 HA GLU 43 14.341 14.796 13.229 1216 1HB GLU 43 1HB GLU 43 17.054 15.045 12.610 1217 2HB GLU 43 2HB GLU 43 16.280 15.957 11.331 1218 1HG GLU 43 1HG GLU 43 14.975 17.241 13.051 1219 2HG GLU 43 2HG GLU 43 15.783 16.343 14.321 1220 HA PRO 44 HA PRO 44 13.575 15.175 8.560 1221 1HB PRO 44 1HB PRO 44 14.772 13.425 6.836 1222 2HB PRO 44 2HB PRO 44 15.412 15.020 7.181 1223 1HG PRO 44 1HG PRO 44 16.375 12.391 8.130 1224 2HG PRO 44 2HG PRO 44 17.220 13.926 8.105 1225 1HD PRO 44 1HD PRO 44 16.044 12.652 10.390 1226 2HD PRO 44 2HD PRO 44 16.787 14.239 10.341 1227 H MET 45 H MET 45 11.483 14.662 9.010 1228 HA MET 45 HA MET 45 10.554 12.367 7.777 1229 1HB MET 45 1HB MET 45 11.716 11.609 10.109 1230 2HB MET 45 2HB MET 45 10.176 12.118 10.775 1231 1HG MET 45 1HG MET 45 9.247 10.153 10.123 1232 2HG MET 45 2HG MET 45 9.572 10.554 8.449 1233 1HE MET 45 1HE MET 45 10.302 7.423 8.070 1234 2HE MET 45 2HE MET 45 10.595 6.917 9.751 1235 3HE MET 45 3HE MET 45 9.218 7.978 9.368 1236 H LYS 46 H LYS 46 8.141 12.079 8.122 1237 HA LYS 46 HA LYS 46 6.996 14.625 9.035 1238 1HB LYS 46 1HB LYS 46 6.282 12.806 6.737 1239 2HB LYS 46 2HB LYS 46 5.112 13.926 7.404 1240 1HG LYS 46 1HG LYS 46 7.812 15.087 6.852 1241 2HG LYS 46 2HG LYS 46 6.914 14.579 5.435 1242 1HD LYS 46 1HD LYS 46 5.660 16.324 7.595 1243 2HD LYS 46 2HD LYS 46 6.549 17.011 6.251 1244 1HE LYS 46 1HE LYS 46 4.262 15.050 5.803 1245 2HE LYS 46 2HE LYS 46 3.969 16.768 5.991 1246 1HZ LYS 46 1HZ LYS 46 4.460 15.701 3.678 1247 2HZ LYS 46 2HZ LYS 46 4.954 17.217 4.030 1248 3HZ LYS 46 3HZ LYS 46 6.013 15.976 4.103 1249 H ALA 47 H ALA 47 5.778 11.270 8.363 1250 HA ALA 47 HA ALA 47 5.141 10.917 11.142 1251 1HB ALA 47 1HB ALA 47 3.149 12.026 10.859 1252 2HB ALA 47 2HB ALA 47 3.101 11.720 9.107 1253 3HB ALA 47 3HB ALA 47 2.650 10.431 10.248 1254 H PHE 48 H PHE 48 4.555 8.693 11.606 1255 HA PHE 48 HA PHE 48 5.419 6.926 9.447 1256 1HB PHE 48 1HB PHE 48 6.259 7.166 12.026 1257 2HB PHE 48 2HB PHE 48 4.877 6.133 12.336 1258 HD1 PHE 48 HD1 PHE 48 7.774 6.284 9.975 1259 HD2 PHE 48 HD2 PHE 48 5.271 3.869 12.406 1260 HE1 PHE 48 HE1 PHE 48 9.150 4.268 9.389 1261 HE2 PHE 48 HE2 PHE 48 6.647 1.853 11.821 1262 HZ PHE 48 HZ PHE 48 8.570 2.077 10.319 1263 H HIS 49 H HIS 49 3.865 5.895 8.291 1264 HA HIS 49 HA HIS 49 1.384 5.270 9.722 1265 1HB HIS 49 1HB HIS 49 1.856 6.659 7.202 1266 2HB HIS 49 2HB HIS 49 0.801 5.277 6.989 1267 HD1 HIS 49 HD1 HIS 49 0.612 8.755 7.702 1268 HD2 HIS 49 HD2 HIS 49 -1.365 5.369 9.192 1269 HE1 HIS 49 HE1 HIS 49 -1.540 9.601 8.781 1270 HE2 HIS 49 HE2 HIS 49 -2.738 7.470 9.630 1271 H TRP 50 H TRP 50 0.276 3.263 8.979 1272 HA TRP 50 HA TRP 50 1.970 1.415 7.513 1273 1HB TRP 50 1HB TRP 50 2.001 -0.264 9.193 1274 2HB TRP 50 2HB TRP 50 2.683 1.203 9.867 1275 HD1 TRP 50 HD1 TRP 50 0.690 2.701 11.393 1276 HE1 TRP 50 HE1 TRP 50 -1.028 1.821 13.192 1277 HE3 TRP 50 HE3 TRP 50 0.751 -2.143 9.847 1278 HZ2 TRP 50 HZ2 TRP 50 -2.143 -0.746 13.755 1279 HZ3 TRP 50 HZ3 TRP 50 -0.681 -3.772 11.076 1280 HH2 TRP 50 HH2 TRP 50 -2.094 -3.141 12.968 1281 H GLY 51 H GLY 51 0.652 -0.669 7.093 1282 1HA GLY 51 1HA GLY 51 -2.186 -0.545 7.485 1283 2HA GLY 51 2HA GLY 51 -1.719 -0.122 5.850 1284 H LYS 52 H LYS 52 -2.456 -2.689 7.968 1285 HA LYS 52 HA LYS 52 -1.226 -4.596 6.101 1286 1HB LYS 52 1HB LYS 52 -0.031 -5.190 7.924 1287 2HB LYS 52 2HB LYS 52 -1.156 -4.458 9.050 1288 1HG LYS 52 1HG LYS 52 -2.031 -6.926 7.539 1289 2HG LYS 52 2HG LYS 52 -0.912 -7.118 8.874 1290 1HD LYS 52 1HD LYS 52 -2.601 -5.632 10.229 1291 2HD LYS 52 2HD LYS 52 -3.733 -5.987 8.939 1292 1HE LYS 52 1HE LYS 52 -4.037 -8.149 9.634 1293 2HE LYS 52 2HE LYS 52 -2.325 -8.402 9.910 1294 1HZ LYS 52 1HZ LYS 52 -2.576 -7.097 11.956 1295 2HZ LYS 52 2HZ LYS 52 -4.189 -7.023 11.712 1296 3HZ LYS 52 3HZ LYS 52 -3.467 -8.465 11.967 1297 H ASP 53 H ASP 53 -2.508 -6.402 5.479 1298 HA ASP 53 HA ASP 53 -5.025 -5.971 4.855 1299 1HB ASP 53 1HB ASP 53 -5.256 -8.626 5.334 1300 2HB ASP 53 2HB ASP 53 -4.335 -7.988 3.987 1301 H VAL 54 H VAL 54 -6.862 -5.477 6.062 1302 HA VAL 54 HA VAL 54 -6.864 -6.133 8.884 1303 HB VAL 54 HB VAL 54 -8.797 -4.670 8.973 1304 1HG1 VAL 54 1HG1 VAL 54 -7.323 -3.007 9.144 1305 2HG1 VAL 54 2HG1 VAL 54 -6.168 -3.910 8.135 1306 3HG1 VAL 54 3HG1 VAL 54 -7.342 -2.808 7.376 1307 1HG2 VAL 54 1HG2 VAL 54 -8.833 -5.146 6.074 1308 2HG2 VAL 54 2HG2 VAL 54 -10.144 -4.656 7.175 1309 3HG2 VAL 54 3HG2 VAL 54 -9.029 -3.433 6.518 1310 H SER 55 H SER 55 -7.675 -8.030 9.596 1311 HA SER 55 HA SER 55 -8.621 -10.019 9.432 1312 1HB SER 55 1HB SER 55 -10.455 -8.003 10.034 1313 2HB SER 55 2HB SER 55 -11.299 -8.929 8.809 1314 HG SER 55 HG SER 55 -11.566 -9.642 11.116 1315 H ILE 56 H ILE 56 -7.405 -9.681 7.008 1316 HA ILE 56 HA ILE 56 -9.467 -10.449 5.062 1317 HB ILE 56 HB ILE 56 -7.559 -8.422 4.944 1318 1HG1 ILE 56 1HG1 ILE 56 -8.339 -8.409 2.469 1319 2HG1 ILE 56 2HG1 ILE 56 -9.376 -9.743 2.934 1320 1HG2 ILE 56 1HG2 ILE 56 -5.953 -8.974 3.338 1321 2HG2 ILE 56 2HG2 ILE 56 -5.941 -10.356 4.460 1322 3HG2 ILE 56 3HG2 ILE 56 -6.776 -10.488 2.893 1323 1HD1 ILE 56 1HD1 ILE 56 -9.412 -6.884 3.935 1324 2HD1 ILE 56 2HD1 ILE 56 -10.755 -7.867 3.303 1325 3HD1 ILE 56 3HD1 ILE 56 -10.105 -8.189 4.928 1326 H GLU 57 H GLU 57 -7.574 -11.859 7.243 1327 HA GLU 57 HA GLU 57 -5.776 -13.437 6.015 1328 1HB GLU 57 1HB GLU 57 -6.167 -15.061 7.848 1329 2HB GLU 57 2HB GLU 57 -6.142 -13.414 8.446 1330 1HG GLU 57 1HG GLU 57 -8.785 -13.562 8.007 1331 2HG GLU 57 2HG GLU 57 -8.492 -15.285 8.136 1332 H ASN 58 H ASN 58 -6.277 -14.159 3.918 1333 HA ASN 58 HA ASN 58 -7.606 -16.563 3.740 1334 1HB ASN 58 1HB ASN 58 -9.677 -15.165 3.987 1335 2HB ASN 58 2HB ASN 58 -9.187 -14.189 2.617 1336 1HD2 ASN 58 1HD2 ASN 58 -10.512 -14.622 1.022 1337 2HD2 ASN 58 2HD2 ASN 58 -10.950 -16.187 0.423 1338 H LEU 59 H LEU 59 -7.254 -13.442 1.878 1339 HA LEU 59 HA LEU 59 -5.738 -14.956 -0.133 1340 1HB LEU 59 1HB LEU 59 -8.156 -13.503 -0.429 1341 2HB LEU 59 2HB LEU 59 -6.898 -12.576 -1.222 1342 HG LEU 59 HG LEU 59 -7.993 -14.051 -2.801 1343 1HD1 LEU 59 1HD1 LEU 59 -5.159 -14.907 -2.159 1344 2HD1 LEU 59 2HD1 LEU 59 -6.016 -15.270 -3.676 1345 3HD1 LEU 59 3HD1 LEU 59 -5.670 -13.582 -3.231 1346 1HD2 LEU 59 1HD2 LEU 59 -8.882 -15.838 -1.640 1347 2HD2 LEU 59 2HD2 LEU 59 -7.512 -16.595 -2.487 1348 3HD2 LEU 59 3HD2 LEU 59 -7.367 -16.167 -0.765 1349 H HIS 60 H HIS 60 -3.654 -14.530 0.518 1350 HA HIS 60 HA HIS 60 -2.798 -11.819 0.170 1351 1HB HIS 60 1HB HIS 60 -1.739 -11.588 2.350 1352 2HB HIS 60 2HB HIS 60 -3.478 -11.739 2.503 1353 HD1 HIS 60 HD1 HIS 60 -0.279 -13.705 3.076 1354 HD2 HIS 60 HD2 HIS 60 -4.367 -13.921 3.995 1355 HE1 HIS 60 HE1 HIS 60 -0.532 -15.593 4.774 1356 HE2 HIS 60 HE2 HIS 60 -3.056 -15.642 5.342 1357 H GLN 61 H GLN 61 -0.690 -11.747 -0.598 1358 HA GLN 61 HA GLN 61 0.387 -14.223 -1.385 1359 1HB GLN 61 1HB GLN 61 0.941 -11.351 -1.826 1360 2HB GLN 61 2HB GLN 61 2.390 -12.337 -1.817 1361 1HG GLN 61 1HG GLN 61 1.769 -12.519 -4.061 1362 2HG GLN 61 2HG GLN 61 0.986 -13.941 -3.399 1363 1HE2 GLN 61 1HE2 GLN 61 -1.234 -13.331 -2.315 1364 2HE2 GLN 61 2HE2 GLN 61 -2.322 -12.436 -3.324 1365 H GLY 62 H GLY 62 0.693 -12.209 1.446 1366 1HA GLY 62 1HA GLY 62 1.679 -13.341 3.362 1367 2HA GLY 62 2HA GLY 62 3.007 -13.830 2.328 1368 H TYR 63 H TYR 63 1.452 -10.612 2.116 1369 HA TYR 63 HA TYR 63 3.928 -9.291 2.330 1370 1HB TYR 63 1HB TYR 63 0.941 -8.647 2.378 1371 2HB TYR 63 2HB TYR 63 2.072 -7.354 2.727 1372 HD1 TYR 63 HD1 TYR 63 1.407 -9.994 0.146 1373 HD2 TYR 63 HD2 TYR 63 2.910 -6.074 0.968 1374 HE1 TYR 63 HE1 TYR 63 1.713 -9.582 -2.344 1375 HE2 TYR 63 HE2 TYR 63 3.211 -5.675 -1.525 1376 HH TYR 63 HH TYR 63 3.384 -7.960 -3.706 1377 H THR 64 H THR 64 1.226 -9.893 4.645 1378 HA THR 64 HA THR 64 1.230 -9.883 6.880 1379 HB THR 64 HB THR 64 4.138 -9.000 6.945 1380 HG1 THR 64 HG1 THR 64 4.548 -10.822 5.762 1381 1HG2 THR 64 1HG2 THR 64 2.995 -11.376 8.403 1382 2HG2 THR 64 2HG2 THR 64 4.225 -10.207 8.942 1383 3HG2 THR 64 3HG2 THR 64 2.501 -9.764 8.975 1384 H HIS 65 H HIS 65 3.388 -7.183 5.763 1385 HA HIS 65 HA HIS 65 1.380 -5.298 6.473 1386 1HB HIS 65 1HB HIS 65 3.922 -5.261 8.118 1387 2HB HIS 65 2HB HIS 65 2.576 -4.143 8.227 1388 HD1 HIS 65 HD1 HIS 65 3.386 -7.816 8.881 1389 HD2 HIS 65 HD2 HIS 65 0.559 -4.908 9.952 1390 HE1 HIS 65 HE1 HIS 65 1.951 -8.856 10.717 1391 HE2 HIS 65 HE2 HIS 65 0.268 -7.003 11.372 1392 H ILE 66 H ILE 66 2.376 -2.960 6.190 1393 HA ILE 66 HA ILE 66 4.651 -2.981 4.394 1394 HB ILE 66 HB ILE 66 2.944 -3.394 2.821 1395 1HG1 ILE 66 1HG1 ILE 66 4.628 -1.539 2.372 1396 2HG1 ILE 66 2HG1 ILE 66 3.200 -1.578 1.358 1397 1HG2 ILE 66 1HG2 ILE 66 1.338 -1.574 4.528 1398 2HG2 ILE 66 2HG2 ILE 66 1.038 -1.497 2.775 1399 3HG2 ILE 66 3HG2 ILE 66 0.866 -3.043 3.640 1400 1HD1 ILE 66 1HD1 ILE 66 2.636 0.512 2.010 1401 2HD1 ILE 66 2HD1 ILE 66 2.612 0.000 3.715 1402 3HD1 ILE 66 3HD1 ILE 66 4.127 0.579 2.981 1403 H PHE 67 H PHE 67 5.861 -1.118 4.574 1404 HA PHE 67 HA PHE 67 4.813 0.818 6.495 1405 1HB PHE 67 1HB PHE 67 7.607 0.212 5.353 1406 2HB PHE 67 2HB PHE 67 7.300 1.420 6.585 1407 HD1 PHE 67 HD1 PHE 67 5.529 0.133 8.457 1408 HD2 PHE 67 HD2 PHE 67 8.785 -1.527 6.301 1409 HE1 PHE 67 HE1 PHE 67 5.821 -1.611 10.240 1410 HE2 PHE 67 HE2 PHE 67 9.077 -3.270 8.083 1411 HZ PHE 67 HZ PHE 67 7.592 -3.291 10.031 1412 H GLU 68 H GLU 68 4.334 2.896 5.906 1413 HA GLU 68 HA GLU 68 5.253 3.692 3.254 1414 1HB GLU 68 1HB GLU 68 2.809 3.192 3.288 1415 2HB GLU 68 2HB GLU 68 2.584 4.367 4.569 1416 1HG GLU 68 1HG GLU 68 4.001 5.316 2.091 1417 2HG GLU 68 2HG GLU 68 2.286 4.987 1.944 1418 H SER 69 H SER 69 6.520 5.502 3.252 1419 HA SER 69 HA SER 69 6.362 7.153 5.650 1420 1HB SER 69 1HB SER 69 8.714 7.801 5.151 1421 2HB SER 69 2HB SER 69 8.545 6.074 5.394 1422 HG SER 69 HG SER 69 8.690 5.716 3.155 1423 H THR 70 H THR 70 5.529 9.191 5.367 1424 HA THR 70 HA THR 70 5.194 10.142 2.631 1425 HB THR 70 HB THR 70 4.089 11.040 5.344 1426 HG1 THR 70 HG1 THR 70 2.194 9.987 4.343 1427 1HG2 THR 70 1HG2 THR 70 2.414 12.271 3.914 1428 2HG2 THR 70 2HG2 THR 70 4.053 12.946 3.758 1429 3HG2 THR 70 3HG2 THR 70 3.400 11.891 2.482 1430 H PHE 71 H PHE 71 6.468 11.606 1.690 1431 HA PHE 71 HA PHE 71 8.006 13.347 3.476 1432 1HB PHE 71 1HB PHE 71 8.805 11.422 1.289 1433 2HB PHE 71 2HB PHE 71 9.631 12.968 1.261 1434 HD1 PHE 71 HD1 PHE 71 11.644 13.070 2.364 1435 HD2 PHE 71 HD2 PHE 71 8.694 10.370 3.785 1436 HE1 PHE 71 HE1 PHE 71 13.240 12.249 4.119 1437 HE2 PHE 71 HE2 PHE 71 10.290 9.550 5.540 1438 HZ PHE 71 HZ PHE 71 12.543 10.499 5.686 1439 H GLU 72 H GLU 72 9.057 15.208 2.084 1440 HA GLU 72 HA GLU 72 7.216 15.920 -0.051 1441 1HB GLU 72 1HB GLU 72 7.127 18.258 0.823 1442 2HB GLU 72 2HB GLU 72 6.404 17.103 1.925 1443 1HG GLU 72 1HG GLU 72 9.269 17.376 2.466 1444 2HG GLU 72 2HG GLU 72 8.489 18.944 2.499 1445 H SER 73 H SER 73 9.657 14.777 -0.582 1446 HA SER 73 HA SER 73 10.843 16.576 -2.223 1447 1HB SER 73 1HB SER 73 11.792 17.923 -0.562 1448 2HB SER 73 2HB SER 73 12.022 16.586 0.548 1449 HG SER 73 HG SER 73 14.031 17.390 -0.420 1450 H LYS 74 H LYS 74 11.274 14.963 -3.700 1451 HA LYS 74 HA LYS 74 11.766 12.343 -3.157 1452 1HB LYS 74 1HB LYS 74 11.210 12.963 -5.361 1453 2HB LYS 74 2HB LYS 74 12.526 14.113 -5.477 1454 1HG LYS 74 1HG LYS 74 14.084 12.495 -5.984 1455 2HG LYS 74 2HG LYS 74 13.393 11.330 -4.872 1456 1HD LYS 74 1HD LYS 74 11.823 10.545 -6.439 1457 2HD LYS 74 2HD LYS 74 11.816 12.045 -7.346 1458 1HE LYS 74 1HE LYS 74 13.883 11.552 -8.429 1459 2HE LYS 74 2HE LYS 74 14.340 10.362 -7.226 1460 1HZ LYS 74 1HZ LYS 74 13.017 9.908 -9.579 1461 2HZ LYS 74 2HZ LYS 74 13.326 8.821 -8.400 1462 3HZ LYS 74 3HZ LYS 74 11.910 9.634 -8.411 1463 H GLU 75 H GLU 75 14.067 15.092 -3.211 1464 HA GLU 75 HA GLU 75 16.350 13.495 -3.055 1465 1HB GLU 75 1HB GLU 75 15.788 16.394 -2.329 1466 2HB GLU 75 2HB GLU 75 17.385 15.692 -2.161 1467 1HG GLU 75 1HG GLU 75 17.285 15.013 -4.606 1468 2HG GLU 75 2HG GLU 75 15.756 15.858 -4.740 1469 H ALA 76 H ALA 76 14.249 15.072 -0.578 1470 HA ALA 76 HA ALA 76 15.826 14.480 1.637 1471 1HB ALA 76 1HB ALA 76 13.928 16.076 1.590 1472 2HB ALA 76 2HB ALA 76 12.797 14.714 1.408 1473 3HB ALA 76 3HB ALA 76 13.754 14.884 2.899 1474 H VAL 77 H VAL 77 13.333 12.579 -0.135 1475 HA VAL 77 HA VAL 77 13.150 10.492 1.705 1476 HB VAL 77 HB VAL 77 12.780 10.546 -1.297 1477 1HG1 VAL 77 1HG1 VAL 77 11.835 8.456 -1.242 1478 2HG1 VAL 77 2HG1 VAL 77 13.051 8.265 0.042 1479 3HG1 VAL 77 3HG1 VAL 77 11.354 8.593 0.466 1480 1HG2 VAL 77 1HG2 VAL 77 10.801 11.541 -0.971 1481 2HG2 VAL 77 2HG2 VAL 77 10.381 10.441 0.364 1482 3HG2 VAL 77 3HG2 VAL 77 11.359 11.894 0.683 1483 H ALA 78 H ALA 78 15.601 11.366 -0.692 1484 HA ALA 78 HA ALA 78 16.800 8.779 -0.765 1485 1HB ALA 78 1HB ALA 78 18.699 10.654 -1.574 1486 2HB ALA 78 2HB ALA 78 17.536 9.815 -2.629 1487 3HB ALA 78 3HB ALA 78 17.147 11.426 -1.979 1488 H GLU 79 H GLU 79 17.312 11.863 1.030 1489 HA GLU 79 HA GLU 79 19.675 11.018 2.248 1490 1HB GLU 79 1HB GLU 79 18.057 13.354 2.194 1491 2HB GLU 79 2HB GLU 79 18.168 12.904 3.884 1492 1HG GLU 79 1HG GLU 79 20.629 13.024 2.092 1493 2HG GLU 79 2HG GLU 79 20.035 14.438 2.941 1494 H TYR 80 H TYR 80 16.206 10.664 3.050 1495 HA TYR 80 HA TYR 80 16.645 9.753 5.702 1496 1HB TYR 80 1HB TYR 80 14.469 10.620 5.143 1497 2HB TYR 80 2HB TYR 80 14.465 9.836 3.576 1498 HD1 TYR 80 HD1 TYR 80 12.894 8.159 3.323 1499 HD2 TYR 80 HD2 TYR 80 14.664 8.750 7.173 1500 HE1 TYR 80 HE1 TYR 80 11.470 6.280 4.274 1501 HE2 TYR 80 HE2 TYR 80 13.234 6.868 8.111 1502 HH TYR 80 HH TYR 80 12.122 4.754 7.050 1503 H ILE 81 H ILE 81 16.334 8.191 2.481 1504 HA ILE 81 HA ILE 81 16.221 5.566 3.601 1505 HB ILE 81 HB ILE 81 15.437 6.636 1.271 1506 1HG1 ILE 81 1HG1 ILE 81 16.186 3.786 1.029 1507 2HG1 ILE 81 2HG1 ILE 81 15.310 4.193 2.491 1508 1HG2 ILE 81 1HG2 ILE 81 17.670 7.031 0.417 1509 2HG2 ILE 81 2HG2 ILE 81 18.098 5.320 0.660 1510 3HG2 ILE 81 3HG2 ILE 81 16.865 5.767 -0.544 1511 1HD1 ILE 81 1HD1 ILE 81 13.813 5.591 0.699 1512 2HD1 ILE 81 2HD1 ILE 81 14.403 4.286 -0.357 1513 3HD1 ILE 81 3HD1 ILE 81 13.486 3.892 1.117 1514 H ALA 82 H ALA 82 18.695 7.914 3.016 1515 HA ALA 82 HA ALA 82 20.739 5.814 2.978 1516 1HB ALA 82 1HB ALA 82 22.157 7.373 1.953 1517 2HB ALA 82 2HB ALA 82 20.572 7.773 1.250 1518 3HB ALA 82 3HB ALA 82 21.236 8.766 2.569 1519 H HIS 83 H HIS 83 19.170 6.322 5.369 1520 HA HIS 83 HA HIS 83 20.997 7.873 7.015 1521 1HB HIS 83 1HB HIS 83 18.314 7.880 6.959 1522 2HB HIS 83 2HB HIS 83 18.543 6.599 8.133 1523 HD1 HIS 83 HD1 HIS 83 19.065 7.288 10.509 1524 HD2 HIS 83 HD2 HIS 83 19.568 10.423 7.767 1525 HE1 HIS 83 HE1 HIS 83 19.499 9.387 11.894 1526 HE2 HIS 83 HE2 HIS 83 19.854 11.269 10.154 1527 HA PRO 84 HA PRO 84 22.816 4.282 8.604 1528 1HB PRO 84 1HB PRO 84 23.903 5.247 10.918 1529 2HB PRO 84 2HB PRO 84 24.650 5.459 9.347 1530 1HG PRO 84 1HG PRO 84 23.190 7.438 10.987 1531 2HG PRO 84 2HG PRO 84 24.289 7.716 9.651 1532 1HD PRO 84 1HD PRO 84 21.426 7.878 9.581 1533 2HD PRO 84 2HD PRO 84 22.518 8.042 8.221 1534 H ALA 85 H ALA 85 20.712 6.078 10.736 1535 HA ALA 85 HA ALA 85 20.405 4.086 12.654 1536 1HB ALA 85 1HB ALA 85 19.655 6.606 12.533 1537 2HB ALA 85 2HB ALA 85 18.160 5.930 11.843 1538 3HB ALA 85 3HB ALA 85 18.690 5.441 13.471 1539 H HIS 86 H HIS 86 18.595 4.768 9.594 1540 HA HIS 86 HA HIS 86 16.766 2.676 9.965 1541 1HB HIS 86 1HB HIS 86 16.064 4.322 8.496 1542 2HB HIS 86 2HB HIS 86 17.612 4.423 7.682 1543 HD1 HIS 86 HD1 HIS 86 16.897 3.950 5.298 1544 HD2 HIS 86 HD2 HIS 86 15.516 1.065 8.012 1545 HE1 HIS 86 HE1 HIS 86 15.876 2.079 3.895 1546 HE2 HIS 86 HE2 HIS 86 15.094 0.311 5.615 1547 H VAL 87 H VAL 87 20.044 2.893 8.569 1548 HA VAL 87 HA VAL 87 19.990 0.413 7.251 1549 HB VAL 87 HB VAL 87 21.899 2.509 7.949 1550 1HG1 VAL 87 1HG1 VAL 87 23.017 0.734 9.182 1551 2HG1 VAL 87 2HG1 VAL 87 22.895 -0.356 7.780 1552 3HG1 VAL 87 3HG1 VAL 87 23.920 1.096 7.692 1553 1HG2 VAL 87 1HG2 VAL 87 22.842 1.441 5.681 1554 2HG2 VAL 87 2HG2 VAL 87 21.200 0.756 5.637 1555 3HG2 VAL 87 3HG2 VAL 87 21.426 2.520 5.715 1556 H GLU 88 H GLU 88 20.990 1.441 10.569 1557 HA GLU 88 HA GLU 88 22.029 -0.944 11.384 1558 1HB GLU 88 1HB GLU 88 21.851 1.403 12.563 1559 2HB GLU 88 2HB GLU 88 20.362 0.775 13.243 1560 1HG GLU 88 1HG GLU 88 21.922 0.139 14.876 1561 2HG GLU 88 2HG GLU 88 21.821 -1.318 13.909 1562 H PHE 89 H PHE 89 18.597 0.198 11.437 1563 HA PHE 89 HA PHE 89 17.625 -2.127 12.708 1564 1HB PHE 89 1HB PHE 89 16.665 0.348 11.303 1565 2HB PHE 89 2HB PHE 89 15.539 -0.992 11.214 1566 HD1 PHE 89 HD1 PHE 89 13.828 -0.705 12.722 1567 HD2 PHE 89 HD2 PHE 89 17.774 0.291 13.925 1568 HE1 PHE 89 HE1 PHE 89 12.988 -0.153 15.022 1569 HE2 PHE 89 HE2 PHE 89 16.933 0.843 16.225 1570 HZ PHE 89 HZ PHE 89 14.550 0.614 16.746 1571 H ALA 90 H ALA 90 17.877 -1.051 9.266 1572 HA ALA 90 HA ALA 90 16.431 -3.105 8.119 1573 1HB ALA 90 1HB ALA 90 17.319 -2.325 6.114 1574 2HB ALA 90 2HB ALA 90 17.562 -0.914 7.172 1575 3HB ALA 90 3HB ALA 90 18.921 -2.009 6.823 1576 H THR 91 H THR 91 19.737 -3.017 9.453 1577 HA THR 91 HA THR 91 20.614 -5.428 8.267 1578 HB THR 91 HB THR 91 21.456 -3.851 10.754 1579 HG1 THR 91 HG1 THR 91 21.617 -2.887 8.556 1580 1HG2 THR 91 1HG2 THR 91 23.432 -5.525 9.284 1581 2HG2 THR 91 2HG2 THR 91 23.254 -5.267 11.036 1582 3HG2 THR 91 3HG2 THR 91 22.233 -6.464 10.205 1583 H ILE 92 H ILE 92 18.892 -4.664 11.327 1584 HA ILE 92 HA ILE 92 19.037 -7.376 12.211 1585 HB ILE 92 HB ILE 92 17.637 -4.889 13.144 1586 1HG1 ILE 92 1HG1 ILE 92 19.516 -6.569 14.765 1587 2HG1 ILE 92 2HG1 ILE 92 20.174 -5.563 13.491 1588 1HG2 ILE 92 1HG2 ILE 92 16.924 -7.674 13.745 1589 2HG2 ILE 92 2HG2 ILE 92 17.249 -6.677 15.183 1590 3HG2 ILE 92 3HG2 ILE 92 16.015 -6.167 14.007 1591 1HD1 ILE 92 1HD1 ILE 92 19.984 -4.501 15.840 1592 2HD1 ILE 92 2HD1 ILE 92 19.341 -3.551 14.479 1593 3HD1 ILE 92 3HD1 ILE 92 18.230 -4.444 15.545 1594 H PHE 93 H PHE 93 16.834 -5.370 10.271 1595 HA PHE 93 HA PHE 93 14.630 -7.124 10.454 1596 1HB PHE 93 1HB PHE 93 15.239 -4.575 9.477 1597 2HB PHE 93 2HB PHE 93 15.108 -5.479 7.982 1598 HD1 PHE 93 HD1 PHE 93 13.332 -3.467 10.111 1599 HD2 PHE 93 HD2 PHE 93 12.934 -7.155 8.049 1600 HE1 PHE 93 HE1 PHE 93 10.833 -3.245 10.195 1601 HE2 PHE 93 HE2 PHE 93 10.436 -6.933 8.134 1602 HZ PHE 93 HZ PHE 93 9.415 -4.981 9.206 1603 H LEU 94 H LEU 94 17.138 -6.568 7.880 1604 HA LEU 94 HA LEU 94 16.221 -8.505 6.136 1605 1HB LEU 94 1HB LEU 94 18.016 -7.970 4.916 1606 2HB LEU 94 2HB LEU 94 18.103 -6.631 6.043 1607 HG LEU 94 HG LEU 94 19.666 -8.236 7.415 1608 1HD1 LEU 94 1HD1 LEU 94 21.025 -9.458 5.406 1609 2HD1 LEU 94 2HD1 LEU 94 19.826 -10.260 6.449 1610 3HD1 LEU 94 3HD1 LEU 94 19.347 -9.655 4.845 1611 1HD2 LEU 94 1HD2 LEU 94 20.263 -6.065 6.331 1612 2HD2 LEU 94 2HD2 LEU 94 21.586 -7.254 6.376 1613 3HD2 LEU 94 3HD2 LEU 94 20.693 -6.973 4.862 1614 H GLY 95 H GLY 95 17.925 -8.779 9.207 1615 1HA GLY 95 1HA GLY 95 19.132 -11.271 8.917 1616 2HA GLY 95 2HA GLY 95 18.561 -10.563 10.415 1617 H SER 96 H SER 96 15.726 -10.336 9.607 1618 HA SER 96 HA SER 96 15.058 -13.142 9.258 1619 1HB SER 96 1HB SER 96 13.600 -13.191 11.131 1620 2HB SER 96 2HB SER 96 15.048 -12.403 11.727 1621 HG SER 96 HG SER 96 13.609 -10.394 10.810 1622 H LEU 97 H LEU 97 14.973 -11.426 7.139 1623 HA LEU 97 HA LEU 97 12.131 -10.696 6.970 1624 1HB LEU 97 1HB LEU 97 13.624 -8.749 7.005 1625 2HB LEU 97 2HB LEU 97 14.496 -9.383 5.623 1626 HG LEU 97 HG LEU 97 12.040 -9.347 4.546 1627 1HD1 LEU 97 1HD1 LEU 97 11.444 -8.235 6.962 1628 2HD1 LEU 97 2HD1 LEU 97 11.742 -6.786 5.972 1629 3HD1 LEU 97 3HD1 LEU 97 10.520 -7.975 5.463 1630 1HD2 LEU 97 1HD2 LEU 97 14.394 -7.853 4.320 1631 2HD2 LEU 97 2HD2 LEU 97 13.035 -7.914 3.172 1632 3HD2 LEU 97 3HD2 LEU 97 13.086 -6.650 4.424 1633 H ASP 98 H ASP 98 11.022 -11.237 5.029 1634 HA ASP 98 HA ASP 98 12.256 -13.479 3.716 1635 1HB ASP 98 1HB ASP 98 9.998 -13.891 4.360 1636 2HB ASP 98 2HB ASP 98 9.462 -12.306 3.838 1637 H LYS 99 H LYS 99 9.879 -11.156 2.306 1638 HA LYS 99 HA LYS 99 11.868 -10.515 0.239 1639 1HB LYS 99 1HB LYS 99 10.061 -10.422 -1.372 1640 2HB LYS 99 2HB LYS 99 10.093 -11.993 -0.597 1641 1HG LYS 99 1HG LYS 99 7.963 -11.722 0.129 1642 2HG LYS 99 2HG LYS 99 8.409 -10.260 0.987 1643 1HD LYS 99 1HD LYS 99 8.361 -9.375 -1.649 1644 2HD LYS 99 2HD LYS 99 7.078 -10.570 -1.650 1645 1HE LYS 99 1HE LYS 99 7.106 -8.709 0.697 1646 2HE LYS 99 2HE LYS 99 6.733 -7.971 -0.848 1647 1HZ LYS 99 1HZ LYS 99 4.710 -8.757 -0.532 1648 2HZ LYS 99 2HZ LYS 99 5.282 -10.259 -0.824 1649 3HZ LYS 99 3HZ LYS 99 5.154 -9.718 0.712 1650 H VAL 100 H VAL 100 11.515 -8.342 -0.807 1651 HA VAL 100 HA VAL 100 9.994 -6.458 0.753 1652 HB VAL 100 HB VAL 100 11.783 -6.252 2.152 1653 1HG1 VAL 100 1HG1 VAL 100 13.604 -6.858 -0.200 1654 2HG1 VAL 100 2HG1 VAL 100 14.176 -6.426 1.429 1655 3HG1 VAL 100 3HG1 VAL 100 13.232 -7.916 1.183 1656 1HG2 VAL 100 1HG2 VAL 100 13.165 -4.449 0.273 1657 2HG2 VAL 100 2HG2 VAL 100 11.409 -4.184 0.389 1658 3HG2 VAL 100 3HG2 VAL 100 12.419 -4.111 1.853 1659 H LEU 101 H LEU 101 9.156 -4.946 -0.609 1660 HA LEU 101 HA LEU 101 10.593 -4.492 -3.121 1661 1HB LEU 101 1HB LEU 101 8.392 -6.073 -3.004 1662 2HB LEU 101 2HB LEU 101 7.644 -4.509 -3.257 1663 HG LEU 101 HG LEU 101 8.136 -5.891 -5.323 1664 1HD1 LEU 101 1HD1 LEU 101 9.552 -3.280 -5.619 1665 2HD1 LEU 101 2HD1 LEU 101 8.274 -4.015 -6.615 1666 3HD1 LEU 101 3HD1 LEU 101 7.865 -3.269 -5.052 1667 1HD2 LEU 101 1HD2 LEU 101 10.202 -6.488 -5.941 1668 2HD2 LEU 101 2HD2 LEU 101 10.905 -4.922 -5.468 1669 3HD2 LEU 101 3HD2 LEU 101 10.636 -6.183 -4.241 1670 H VAL 102 H VAL 102 10.551 -2.361 -3.872 1671 HA VAL 102 HA VAL 102 9.498 -0.466 -1.911 1672 HB VAL 102 HB VAL 102 11.403 0.025 -4.202 1673 1HG1 VAL 102 1HG1 VAL 102 10.380 1.625 -1.892 1674 2HG1 VAL 102 2HG1 VAL 102 12.072 1.861 -2.393 1675 3HG1 VAL 102 3HG1 VAL 102 10.753 2.126 -3.558 1676 1HG2 VAL 102 1HG2 VAL 102 13.240 -0.199 -2.610 1677 2HG2 VAL 102 2HG2 VAL 102 12.094 -0.623 -1.316 1678 3HG2 VAL 102 3HG2 VAL 102 12.314 -1.717 -2.703 1679 H ILE 103 H ILE 103 7.613 0.557 -2.320 1680 HA ILE 103 HA ILE 103 6.924 0.995 -5.134 1681 HB ILE 103 HB ILE 103 5.063 -0.047 -2.994 1682 1HG1 ILE 103 1HG1 ILE 103 6.653 -1.738 -3.865 1683 2HG1 ILE 103 2HG1 ILE 103 4.980 -2.096 -4.243 1684 1HG2 ILE 103 1HG2 ILE 103 3.680 1.285 -4.271 1685 2HG2 ILE 103 2HG2 ILE 103 4.609 1.013 -5.765 1686 3HG2 ILE 103 3HG2 ILE 103 3.563 -0.275 -5.121 1687 1HD1 ILE 103 1HD1 ILE 103 6.450 -2.467 -6.211 1688 2HD1 ILE 103 2HD1 ILE 103 5.270 -1.173 -6.529 1689 3HD1 ILE 103 3HD1 ILE 103 6.960 -0.762 -6.149 1690 H ASP 104 H ASP 104 5.786 2.940 -5.555 1691 HA ASP 104 HA ASP 104 5.865 4.751 -3.276 1692 1HB ASP 104 1HB ASP 104 7.326 5.279 -5.275 1693 2HB ASP 104 2HB ASP 104 5.883 5.390 -6.263 1694 H TYR 105 H TYR 105 4.096 6.534 -3.392 1695 HA TYR 105 HA TYR 105 1.650 5.424 -4.597 1696 1HB TYR 105 1HB TYR 105 1.528 5.268 -2.165 1697 2HB TYR 105 2HB TYR 105 2.370 6.790 -1.952 1698 HD1 TYR 105 HD1 TYR 105 -0.873 5.240 -2.819 1699 HD2 TYR 105 HD2 TYR 105 1.185 8.896 -1.979 1700 HE1 TYR 105 HE1 TYR 105 -3.098 6.444 -2.571 1701 HE2 TYR 105 HE2 TYR 105 -1.047 10.088 -1.734 1702 HH TYR 105 HH TYR 105 -4.092 8.343 -2.283 1703 H LYS 106 H LYS 106 1.068 6.649 -6.322 1704 HA LYS 106 HA LYS 106 1.311 9.557 -5.989 1705 1HB LYS 106 1HB LYS 106 3.043 8.581 -7.532 1706 2HB LYS 106 2HB LYS 106 1.745 8.042 -8.577 1707 1HG LYS 106 1HG LYS 106 2.232 10.117 -9.536 1708 2HG LYS 106 2HG LYS 106 0.938 10.564 -8.442 1709 1HD LYS 106 1HD LYS 106 3.211 10.738 -6.815 1710 2HD LYS 106 2HD LYS 106 3.802 11.302 -8.366 1711 1HE LYS 106 1HE LYS 106 1.155 12.431 -7.768 1712 2HE LYS 106 2HE LYS 106 2.298 12.790 -6.489 1713 1HZ LYS 106 1HZ LYS 106 3.216 14.274 -7.802 1714 2HZ LYS 106 2HZ LYS 106 3.568 13.150 -8.933 1715 3HZ LYS 106 3HZ LYS 106 2.144 13.947 -8.991 1716 HA PRO 107 HA PRO 107 -2.984 9.042 -6.674 1717 1HB PRO 107 1HB PRO 107 -3.737 11.550 -5.892 1718 2HB PRO 107 2HB PRO 107 -3.545 10.215 -4.773 1719 1HG PRO 107 1HG PRO 107 -1.761 12.530 -5.220 1720 2HG PRO 107 2HG PRO 107 -1.819 11.436 -3.852 1721 1HD PRO 107 1HD PRO 107 0.114 11.433 -5.970 1722 2HD PRO 107 2HD PRO 107 -0.013 10.270 -4.666 1723 H THR 108 H THR 108 -3.788 8.868 -8.659 1724 HA THR 108 HA THR 108 -3.643 11.319 -10.259 1725 HB THR 108 HB THR 108 -2.790 8.515 -11.155 1726 HG1 THR 108 HG1 THR 108 -1.233 9.723 -9.853 1727 1HG2 THR 108 1HG2 THR 108 -3.708 10.802 -12.676 1728 2HG2 THR 108 2HG2 THR 108 -1.948 10.654 -12.894 1729 3HG2 THR 108 3HG2 THR 108 -3.012 9.284 -13.293 1730 H SER 109 H SER 109 -5.887 11.358 -9.305 1731 HA SER 109 HA SER 109 -7.652 9.363 -10.302 1732 1HB SER 109 1HB SER 109 -7.703 11.340 -8.265 1733 2HB SER 109 2HB SER 109 -8.972 11.800 -9.382 1734 HG SER 109 HG SER 109 -9.963 9.763 -9.130 1735 H VAL 110 H VAL 110 -9.125 9.548 -12.045 1736 HA VAL 110 HA VAL 110 -8.500 11.708 -13.892 1737 HB VAL 110 HB VAL 110 -9.970 9.082 -14.152 1738 1HG1 VAL 110 1HG1 VAL 110 -9.919 9.638 -16.643 1739 2HG1 VAL 110 2HG1 VAL 110 -11.107 10.518 -15.653 1740 3HG1 VAL 110 3HG1 VAL 110 -9.600 11.320 -16.157 1741 1HG2 VAL 110 1HG2 VAL 110 -7.307 10.080 -15.213 1742 2HG2 VAL 110 2HG2 VAL 110 -7.578 8.801 -14.005 1743 3HG2 VAL 110 3HG2 VAL 110 -8.076 8.549 -15.695 1744 H SER 111 H SER 111 -10.072 13.145 -14.724 1745 HA SER 111 HA SER 111 -12.087 13.776 -12.877 1746 1HB SER 111 1HB SER 111 -12.667 15.164 -15.253 1747 2HB SER 111 2HB SER 111 -11.715 15.753 -13.905 1748 HG SER 111 HG SER 111 -10.451 15.925 -15.792 1749 H LEU 112 H LEU 112 -14.247 13.183 -12.833 1750 HA LEU 112 HA LEU 112 -15.144 11.500 -15.058 1751 1HB LEU 112 1HB LEU 112 -16.186 11.658 -12.227 1752 2HB LEU 112 2HB LEU 112 -16.727 10.553 -13.475 1753 HG LEU 112 HG LEU 112 -13.843 10.558 -12.616 1754 1HD1 LEU 112 1HD1 LEU 112 -15.282 10.433 -10.572 1755 2HD1 LEU 112 2HD1 LEU 112 -16.004 8.948 -11.237 1756 3HD1 LEU 112 3HD1 LEU 112 -14.266 8.999 -10.855 1757 1HD2 LEU 112 1HD2 LEU 112 -14.728 7.964 -13.100 1758 2HD2 LEU 112 2HD2 LEU 112 -15.553 8.950 -14.331 1759 3HD2 LEU 112 3HD2 LEU 112 -13.779 8.995 -14.197 Start of MODEL 18 1 1H GLY 1 1H GLY 1 -25.495 23.427 2.946 2 1HA GLY 1 1HA GLY 1 -23.987 23.577 5.077 3 2HA GLY 1 2HA GLY 1 -24.432 21.886 5.201 4 H SER 2 H SER 2 -21.742 23.013 4.736 5 HA SER 2 HA SER 2 -21.248 21.641 2.223 6 1HB SER 2 1HB SER 2 -19.855 24.227 3.042 7 2HB SER 2 2HB SER 2 -19.595 23.333 1.558 8 HG SER 2 HG SER 2 -21.295 24.292 0.683 9 H HIS 3 H HIS 3 -19.502 23.340 4.939 10 HA HIS 3 HA HIS 3 -17.707 22.764 6.085 11 1HB HIS 3 1HB HIS 3 -19.589 21.364 7.052 12 2HB HIS 3 2HB HIS 3 -18.944 20.003 6.156 13 HD1 HIS 3 HD1 HIS 3 -18.222 22.224 9.110 14 HD2 HIS 3 HD2 HIS 3 -16.536 18.912 7.167 15 HE1 HIS 3 HE1 HIS 3 -16.421 21.319 10.674 16 HE2 HIS 3 HE2 HIS 3 -15.457 19.253 9.450 17 H MET 4 H MET 4 -16.148 23.090 4.402 18 HA MET 4 HA MET 4 -15.518 20.923 2.683 19 1HB MET 4 1HB MET 4 -14.852 23.760 3.020 20 2HB MET 4 2HB MET 4 -13.383 22.843 2.755 21 1HG MET 4 1HG MET 4 -14.324 21.856 0.687 22 2HG MET 4 2HG MET 4 -15.860 22.651 0.973 23 1HE MET 4 1HE MET 4 -15.289 26.308 0.444 24 2HE MET 4 2HE MET 4 -16.290 25.090 -0.383 25 3HE MET 4 3HE MET 4 -16.118 25.046 1.388 26 H GLU 5 H GLU 5 -15.207 19.348 4.565 27 HA GLU 5 HA GLU 5 -13.234 19.599 6.414 28 1HB GLU 5 1HB GLU 5 -13.200 17.043 6.366 29 2HB GLU 5 2HB GLU 5 -14.773 17.780 6.597 30 1HG GLU 5 1HG GLU 5 -15.298 17.494 4.191 31 2HG GLU 5 2HG GLU 5 -13.695 16.851 3.893 32 H GLU 6 H GLU 6 -11.191 17.963 6.415 33 HA GLU 6 HA GLU 6 -9.709 18.740 4.044 34 1HB GLU 6 1HB GLU 6 -8.873 17.965 6.861 35 2HB GLU 6 2HB GLU 6 -7.709 18.045 5.554 36 1HG GLU 6 1HG GLU 6 -7.551 20.281 5.881 37 2HG GLU 6 2HG GLU 6 -9.213 20.447 5.348 38 H ALA 7 H ALA 7 -9.536 17.215 2.463 39 HA ALA 7 HA ALA 7 -10.319 14.612 2.666 40 1HB ALA 7 1HB ALA 7 -8.860 14.292 0.621 41 2HB ALA 7 2HB ALA 7 -9.968 15.683 0.536 42 3HB ALA 7 3HB ALA 7 -8.241 15.939 0.886 43 H LYS 8 H LYS 8 -9.119 12.571 2.765 44 HA LYS 8 HA LYS 8 -6.416 12.608 3.665 45 1HB LYS 8 1HB LYS 8 -8.627 12.442 5.651 46 2HB LYS 8 2HB LYS 8 -7.314 11.298 5.844 47 1HG LYS 8 1HG LYS 8 -5.920 13.636 5.323 48 2HG LYS 8 2HG LYS 8 -7.313 14.255 6.187 49 1HD LYS 8 1HD LYS 8 -6.882 12.758 8.085 50 2HD LYS 8 2HD LYS 8 -5.608 11.936 7.206 51 1HE LYS 8 1HE LYS 8 -4.309 13.415 8.441 52 2HE LYS 8 2HE LYS 8 -4.580 14.404 7.020 53 1HZ LYS 8 1HZ LYS 8 -6.562 15.281 8.224 54 2HZ LYS 8 2HZ LYS 8 -6.019 14.532 9.570 55 3HZ LYS 8 3HZ LYS 8 -5.121 15.701 8.867 56 H GLY 9 H GLY 9 -9.366 10.530 4.128 57 1HA GLY 9 1HA GLY 9 -8.267 8.631 2.191 58 2HA GLY 9 2HA GLY 9 -8.483 8.076 3.839 59 HA PRO 10 HA PRO 10 -9.759 8.518 5.383 60 1HB PRO 10 1HB PRO 10 -11.352 6.852 6.851 61 2HB PRO 10 2HB PRO 10 -11.620 8.580 6.736 62 1HG PRO 10 1HG PRO 10 -13.108 6.383 5.433 63 2HG PRO 10 2HG PRO 10 -13.599 8.047 5.678 64 1HD PRO 10 1HD PRO 10 -12.671 6.874 3.231 65 2HD PRO 10 2HD PRO 10 -13.051 8.563 3.506 66 H VAL 11 H VAL 11 -11.079 5.467 4.200 67 HA VAL 11 HA VAL 11 -8.469 4.294 4.870 68 HB VAL 11 HB VAL 11 -11.276 3.335 5.094 69 1HG1 VAL 11 1HG1 VAL 11 -10.556 0.970 5.033 70 2HG1 VAL 11 2HG1 VAL 11 -10.381 1.770 3.453 71 3HG1 VAL 11 3HG1 VAL 11 -8.948 1.486 4.470 72 1HG2 VAL 11 1HG2 VAL 11 -9.990 2.047 7.013 73 2HG2 VAL 11 2HG2 VAL 11 -8.754 3.293 6.715 74 3HG2 VAL 11 3HG2 VAL 11 -10.404 3.770 7.180 75 H LYS 12 H LYS 12 -7.325 3.232 3.261 76 HA LYS 12 HA LYS 12 -8.649 3.115 0.644 77 1HB LYS 12 1HB LYS 12 -5.929 4.235 1.336 78 2HB LYS 12 2HB LYS 12 -6.315 3.676 -0.279 79 1HG LYS 12 1HG LYS 12 -8.342 5.218 -0.257 80 2HG LYS 12 2HG LYS 12 -7.787 5.850 1.280 81 1HD LYS 12 1HD LYS 12 -5.591 5.851 -0.644 82 2HD LYS 12 2HD LYS 12 -6.978 6.676 -1.325 83 1HE LYS 12 1HE LYS 12 -6.676 7.480 1.452 84 2HE LYS 12 2HE LYS 12 -5.136 7.665 0.636 85 1HZ LYS 12 1HZ LYS 12 -6.424 9.618 0.347 86 2HZ LYS 12 2HZ LYS 12 -6.327 8.882 -1.107 87 3HZ LYS 12 3HZ LYS 12 -7.705 8.790 -0.236 88 H HIS 13 H HIS 13 -8.591 1.133 -0.290 89 HA HIS 13 HA HIS 13 -6.983 -0.868 1.070 90 1HB HIS 13 1HB HIS 13 -9.340 -1.354 0.826 91 2HB HIS 13 2HB HIS 13 -9.273 -1.071 -0.902 92 HD1 HIS 13 HD1 HIS 13 -9.110 -3.742 1.540 93 HD2 HIS 13 HD2 HIS 13 -7.456 -3.058 -2.253 94 HE1 HIS 13 HE1 HIS 13 -8.376 -6.021 0.659 95 HE2 HIS 13 HE2 HIS 13 -7.418 -5.544 -1.697 96 H VAL 14 H VAL 14 -5.404 -2.133 0.023 97 HA VAL 14 HA VAL 14 -4.621 -1.083 -2.607 98 HB VAL 14 HB VAL 14 -3.014 -2.147 -0.285 99 1HG1 VAL 14 1HG1 VAL 14 -2.214 -3.070 -2.486 100 2HG1 VAL 14 2HG1 VAL 14 -1.923 -1.396 -3.015 101 3HG1 VAL 14 3HG1 VAL 14 -1.027 -2.060 -1.627 102 1HG2 VAL 14 1HG2 VAL 14 -3.563 0.178 -0.044 103 2HG2 VAL 14 2HG2 VAL 14 -1.856 0.070 -0.539 104 3HG2 VAL 14 3HG2 VAL 14 -3.101 0.520 -1.729 105 H LEU 15 H LEU 15 -4.542 -2.486 -4.310 106 HA LEU 15 HA LEU 15 -4.748 -5.339 -3.643 107 1HB LEU 15 1HB LEU 15 -6.923 -4.463 -4.319 108 2HB LEU 15 2HB LEU 15 -6.232 -3.833 -5.802 109 HG LEU 15 HG LEU 15 -5.571 -6.573 -5.779 110 1HD1 LEU 15 1HD1 LEU 15 -8.173 -6.047 -4.463 111 2HD1 LEU 15 2HD1 LEU 15 -8.173 -7.281 -5.745 112 3HD1 LEU 15 3HD1 LEU 15 -7.082 -7.448 -4.349 113 1HD2 LEU 15 1HD2 LEU 15 -7.693 -6.357 -7.511 114 2HD2 LEU 15 2HD2 LEU 15 -7.128 -4.675 -7.381 115 3HD2 LEU 15 3HD2 LEU 15 -6.000 -5.957 -7.884 116 H LEU 16 H LEU 16 -3.346 -6.685 -4.714 117 HA LEU 16 HA LEU 16 -1.574 -5.344 -6.628 118 1HB LEU 16 1HB LEU 16 -1.042 -7.832 -5.005 119 2HB LEU 16 2HB LEU 16 0.098 -6.957 -6.008 120 HG LEU 16 HG LEU 16 0.650 -6.344 -3.825 121 1HD1 LEU 16 1HD1 LEU 16 0.602 -4.398 -5.225 122 2HD1 LEU 16 2HD1 LEU 16 -1.143 -4.180 -4.953 123 3HD1 LEU 16 3HD1 LEU 16 0.002 -3.945 -3.611 124 1HD2 LEU 16 1HD2 LEU 16 -1.938 -7.073 -3.173 125 2HD2 LEU 16 2HD2 LEU 16 -0.710 -6.423 -2.061 126 3HD2 LEU 16 3HD2 LEU 16 -1.895 -5.330 -2.816 127 H ALA 17 H ALA 17 -0.995 -6.433 -8.593 128 HA ALA 17 HA ALA 17 -2.253 -8.919 -9.231 129 1HB ALA 17 1HB ALA 17 -3.993 -6.918 -9.462 130 2HB ALA 17 2HB ALA 17 -3.127 -6.647 -10.993 131 3HB ALA 17 3HB ALA 17 -3.914 -8.213 -10.680 132 H SER 18 H SER 18 -1.245 -9.892 -11.026 133 HA SER 18 HA SER 18 0.781 -8.221 -12.291 134 1HB SER 18 1HB SER 18 1.358 -10.241 -10.506 135 2HB SER 18 2HB SER 18 1.401 -11.121 -12.021 136 HG SER 18 HG SER 18 3.437 -9.937 -11.163 137 H PHE 19 H PHE 19 0.112 -7.989 -14.399 138 HA PHE 19 HA PHE 19 -1.687 -9.735 -15.628 139 1HB PHE 19 1HB PHE 19 0.269 -7.538 -16.435 140 2HB PHE 19 2HB PHE 19 -0.548 -8.428 -17.705 141 HD1 PHE 19 HD1 PHE 19 -3.194 -8.629 -17.323 142 HD2 PHE 19 HD2 PHE 19 -0.715 -5.588 -15.707 143 HE1 PHE 19 HE1 PHE 19 -5.189 -7.123 -17.095 144 HE2 PHE 19 HE2 PHE 19 -2.710 -4.082 -15.479 145 HZ PHE 19 HZ PHE 19 -4.923 -4.868 -16.176 146 H LYS 20 H LYS 20 -1.330 -11.800 -16.280 147 HA LYS 20 HA LYS 20 1.097 -13.041 -16.367 148 1HB LYS 20 1HB LYS 20 -1.624 -13.629 -17.089 149 2HB LYS 20 2HB LYS 20 -0.560 -14.261 -18.329 150 1HG LYS 20 1HG LYS 20 0.795 -15.433 -16.609 151 2HG LYS 20 2HG LYS 20 -0.193 -14.748 -15.334 152 1HD LYS 20 1HD LYS 20 -1.932 -16.021 -17.278 153 2HD LYS 20 2HD LYS 20 -0.666 -17.148 -16.834 154 1HE LYS 20 1HE LYS 20 -1.238 -16.315 -14.351 155 2HE LYS 20 2HE LYS 20 -2.768 -15.869 -15.079 156 1HZ LYS 20 1HZ LYS 20 -1.597 -18.513 -14.795 157 2HZ LYS 20 2HZ LYS 20 -3.123 -18.020 -14.486 158 3HZ LYS 20 3HZ LYS 20 -2.634 -18.245 -16.028 159 H ASP 21 H ASP 21 1.918 -14.152 -18.589 160 HA ASP 21 HA ASP 21 2.596 -11.858 -20.225 161 1HB ASP 21 1HB ASP 21 4.105 -13.974 -19.133 162 2HB ASP 21 2HB ASP 21 3.969 -14.397 -20.828 163 H GLY 22 H GLY 22 0.963 -11.725 -21.828 164 1HA GLY 22 1HA GLY 22 0.942 -13.262 -24.056 165 2HA GLY 22 2HA GLY 22 -0.170 -14.107 -22.998 166 H VAL 23 H VAL 23 -0.965 -11.543 -21.576 167 HA VAL 23 HA VAL 23 -3.049 -10.840 -23.408 168 HB VAL 23 HB VAL 23 -3.285 -11.167 -20.934 169 1HG1 VAL 23 1HG1 VAL 23 -1.152 -9.838 -20.429 170 2HG1 VAL 23 2HG1 VAL 23 -2.145 -8.379 -20.656 171 3HG1 VAL 23 3HG1 VAL 23 -2.559 -9.548 -19.378 172 1HG2 VAL 23 1HG2 VAL 23 -4.520 -8.720 -20.808 173 2HG2 VAL 23 2HG2 VAL 23 -4.351 -8.954 -22.564 174 3HG2 VAL 23 3HG2 VAL 23 -5.199 -10.172 -21.582 175 H SER 24 H SER 24 -3.240 -9.012 -24.660 176 HA SER 24 HA SER 24 -0.919 -7.645 -25.289 177 1HB SER 24 1HB SER 24 -3.853 -7.260 -25.900 178 2HB SER 24 2HB SER 24 -2.721 -6.007 -26.366 179 HG SER 24 HG SER 24 -3.061 -8.611 -27.401 180 HA PRO 25 HA PRO 25 -0.932 -4.320 -22.482 181 1HB PRO 25 1HB PRO 25 0.125 -2.259 -23.932 182 2HB PRO 25 2HB PRO 25 1.099 -3.538 -23.233 183 1HG PRO 25 1HG PRO 25 0.325 -3.131 -26.057 184 2HG PRO 25 2HG PRO 25 1.614 -4.123 -25.404 185 1HD PRO 25 1HD PRO 25 -0.920 -5.034 -26.394 186 2HD PRO 25 2HD PRO 25 0.321 -6.010 -25.635 187 H GLU 26 H GLU 26 -2.407 -3.556 -25.558 188 HA GLU 26 HA GLU 26 -3.683 -1.267 -24.747 189 1HB GLU 26 1HB GLU 26 -5.103 -1.570 -26.684 190 2HB GLU 26 2HB GLU 26 -3.501 -2.142 -27.102 191 1HG GLU 26 1HG GLU 26 -4.394 -4.497 -26.311 192 2HG GLU 26 2HG GLU 26 -5.983 -3.777 -26.486 193 H LYS 27 H LYS 27 -4.397 -4.683 -24.108 194 HA LYS 27 HA LYS 27 -7.078 -4.206 -23.258 195 1HB LYS 27 1HB LYS 27 -5.859 -6.387 -24.149 196 2HB LYS 27 2HB LYS 27 -5.513 -6.629 -22.449 197 1HG LYS 27 1HG LYS 27 -7.583 -7.669 -22.543 198 2HG LYS 27 2HG LYS 27 -8.116 -6.042 -22.170 199 1HD LYS 27 1HD LYS 27 -8.765 -5.597 -24.418 200 2HD LYS 27 2HD LYS 27 -7.773 -6.890 -25.063 201 1HE LYS 27 1HE LYS 27 -9.924 -7.697 -23.127 202 2HE LYS 27 2HE LYS 27 -10.460 -7.130 -24.696 203 1HZ LYS 27 1HZ LYS 27 -8.357 -8.825 -25.167 204 2HZ LYS 27 2HZ LYS 27 -9.271 -9.575 -24.041 205 3HZ LYS 27 3HZ LYS 27 -9.938 -9.111 -25.458 206 H ILE 28 H ILE 28 -3.833 -4.310 -21.762 207 HA ILE 28 HA ILE 28 -4.662 -4.452 -19.109 208 HB ILE 28 HB ILE 28 -2.217 -3.457 -20.523 209 1HG1 ILE 28 1HG1 ILE 28 -2.441 -5.636 -18.449 210 2HG1 ILE 28 2HG1 ILE 28 -2.860 -5.933 -20.125 211 1HG2 ILE 28 1HG2 ILE 28 -2.510 -1.944 -18.621 212 2HG2 ILE 28 2HG2 ILE 28 -2.658 -3.340 -17.527 213 3HG2 ILE 28 3HG2 ILE 28 -1.126 -3.036 -18.381 214 1HD1 ILE 28 1HD1 ILE 28 -0.214 -4.625 -19.416 215 2HD1 ILE 28 2HD1 ILE 28 -0.404 -6.394 -19.365 216 3HD1 ILE 28 3HD1 ILE 28 -0.654 -5.516 -20.893 217 H GLU 29 H GLU 29 -3.983 -1.593 -21.233 218 HA GLU 29 HA GLU 29 -4.629 0.253 -19.248 219 1HB GLU 29 1HB GLU 29 -4.727 1.880 -21.153 220 2HB GLU 29 2HB GLU 29 -3.275 0.899 -21.162 221 1HG GLU 29 1HG GLU 29 -4.030 -0.440 -22.978 222 2HG GLU 29 2HG GLU 29 -5.710 -0.011 -22.725 223 H GLU 30 H GLU 30 -6.551 -1.641 -21.543 224 HA GLU 30 HA GLU 30 -8.827 -0.009 -21.435 225 1HB GLU 30 1HB GLU 30 -8.033 -2.566 -22.615 226 2HB GLU 30 2HB GLU 30 -9.666 -2.655 -21.986 227 1HG GLU 30 1HG GLU 30 -9.258 -0.112 -23.371 228 2HG GLU 30 2HG GLU 30 -8.820 -1.447 -24.419 229 H LEU 31 H LEU 31 -7.752 -2.952 -19.631 230 HA LEU 31 HA LEU 31 -10.080 -3.354 -18.187 231 1HB LEU 31 1HB LEU 31 -7.185 -3.998 -17.731 232 2HB LEU 31 2HB LEU 31 -8.378 -4.356 -16.498 233 HG LEU 31 HG LEU 31 -9.144 -5.321 -19.167 234 1HD1 LEU 31 1HD1 LEU 31 -6.486 -5.525 -18.831 235 2HD1 LEU 31 2HD1 LEU 31 -7.003 -6.995 -17.971 236 3HD1 LEU 31 3HD1 LEU 31 -7.465 -6.750 -19.673 237 1HD2 LEU 31 1HD2 LEU 31 -9.401 -7.458 -17.748 238 2HD2 LEU 31 2HD2 LEU 31 -9.062 -6.400 -16.357 239 3HD2 LEU 31 3HD2 LEU 31 -10.465 -6.073 -17.402 240 H ILE 32 H ILE 32 -7.401 -1.034 -17.764 241 HA ILE 32 HA ILE 32 -8.256 -0.249 -15.158 242 HB ILE 32 HB ILE 32 -6.341 0.981 -17.141 243 1HG1 ILE 32 1HG1 ILE 32 -5.773 -0.616 -14.629 244 2HG1 ILE 32 2HG1 ILE 32 -5.783 -1.300 -16.243 245 1HG2 ILE 32 1HG2 ILE 32 -5.749 2.598 -15.633 246 2HG2 ILE 32 2HG2 ILE 32 -7.491 2.469 -15.291 247 3HG2 ILE 32 3HG2 ILE 32 -6.313 1.661 -14.229 248 1HD1 ILE 32 1HD1 ILE 32 -3.658 0.121 -14.932 249 2HD1 ILE 32 2HD1 ILE 32 -3.659 -0.594 -16.562 250 3HD1 ILE 32 3HD1 ILE 32 -4.181 1.092 -16.329 251 H LYS 33 H LYS 33 -8.590 1.045 -18.517 252 HA LYS 33 HA LYS 33 -9.935 3.373 -17.808 253 1HB LYS 33 1HB LYS 33 -9.653 3.701 -19.986 254 2HB LYS 33 2HB LYS 33 -9.113 2.045 -20.174 255 1HG LYS 33 1HG LYS 33 -11.405 1.265 -20.544 256 2HG LYS 33 2HG LYS 33 -12.061 2.836 -20.130 257 1HD LYS 33 1HD LYS 33 -11.221 3.852 -22.126 258 2HD LYS 33 2HD LYS 33 -10.082 2.552 -22.417 259 1HE LYS 33 1HE LYS 33 -11.681 1.820 -23.896 260 2HE LYS 33 2HE LYS 33 -12.410 1.119 -22.465 261 1HZ LYS 33 1HZ LYS 33 -13.145 3.564 -23.860 262 2HZ LYS 33 2HZ LYS 33 -14.100 2.344 -23.345 263 3HZ LYS 33 3HZ LYS 33 -13.500 3.420 -22.273 264 H GLY 34 H GLY 34 -11.151 0.061 -18.605 265 1HA GLY 34 1HA GLY 34 -13.877 0.631 -18.491 266 2HA GLY 34 2HA GLY 34 -13.127 -0.925 -18.195 267 H TYR 35 H TYR 35 -11.465 -0.056 -15.910 268 HA TYR 35 HA TYR 35 -13.297 -0.532 -13.853 269 1HB TYR 35 1HB TYR 35 -10.569 -0.579 -14.274 270 2HB TYR 35 2HB TYR 35 -10.683 0.953 -13.431 271 HD1 TYR 35 HD1 TYR 35 -9.692 -2.170 -12.829 272 HD2 TYR 35 HD2 TYR 35 -12.670 0.529 -11.363 273 HE1 TYR 35 HE1 TYR 35 -9.712 -3.392 -10.600 274 HE2 TYR 35 HE2 TYR 35 -12.680 -0.702 -9.138 275 HH TYR 35 HH TYR 35 -10.313 -2.661 -8.153 276 H ALA 36 H ALA 36 -11.996 2.477 -15.285 277 HA ALA 36 HA ALA 36 -12.846 4.158 -13.176 278 1HB ALA 36 1HB ALA 36 -12.714 5.432 -15.794 279 2HB ALA 36 2HB ALA 36 -11.667 5.655 -14.372 280 3HB ALA 36 3HB ALA 36 -11.324 4.351 -15.534 281 H ASN 37 H ASN 37 -14.380 2.719 -16.041 282 HA ASN 37 HA ASN 37 -16.579 4.499 -15.978 283 1HB ASN 37 1HB ASN 37 -15.557 2.681 -17.818 284 2HB ASN 37 2HB ASN 37 -16.958 1.810 -17.224 285 1HD2 ASN 37 1HD2 ASN 37 -16.952 2.492 -19.786 286 2HD2 ASN 37 2HD2 ASN 37 -18.050 3.785 -20.135 287 H LEU 38 H LEU 38 -15.817 1.132 -14.887 288 HA LEU 38 HA LEU 38 -18.386 0.453 -14.036 289 1HB LEU 38 1HB LEU 38 -15.615 -0.522 -13.504 290 2HB LEU 38 2HB LEU 38 -16.916 -1.091 -12.478 291 HG LEU 38 HG LEU 38 -17.897 -1.402 -15.085 292 1HD1 LEU 38 1HD1 LEU 38 -15.914 -2.993 -15.864 293 2HD1 LEU 38 2HD1 LEU 38 -15.991 -1.275 -16.324 294 3HD1 LEU 38 3HD1 LEU 38 -14.943 -1.791 -14.982 295 1HD2 LEU 38 1HD2 LEU 38 -16.610 -3.732 -13.762 296 2HD2 LEU 38 2HD2 LEU 38 -17.846 -2.851 -12.833 297 3HD2 LEU 38 3HD2 LEU 38 -18.251 -3.541 -14.423 298 H VAL 39 H VAL 39 -15.580 1.919 -12.276 299 HA VAL 39 HA VAL 39 -16.923 2.076 -9.816 300 HB VAL 39 HB VAL 39 -15.113 3.647 -9.239 301 1HG1 VAL 39 1HG1 VAL 39 -14.465 1.463 -8.839 302 2HG1 VAL 39 2HG1 VAL 39 -14.544 1.008 -10.558 303 3HG1 VAL 39 3HG1 VAL 39 -13.193 2.002 -9.962 304 1HG2 VAL 39 1HG2 VAL 39 -14.519 4.969 -10.997 305 2HG2 VAL 39 2HG2 VAL 39 -13.293 3.697 -11.213 306 3HG2 VAL 39 3HG2 VAL 39 -14.774 3.682 -12.199 307 H ASN 40 H ASN 40 -16.919 4.068 -12.751 308 HA ASN 40 HA ASN 40 -17.984 6.345 -11.495 309 1HB ASN 40 1HB ASN 40 -16.865 6.617 -13.633 310 2HB ASN 40 2HB ASN 40 -17.856 5.386 -14.391 311 1HD2 ASN 40 1HD2 ASN 40 -19.134 6.259 -15.822 312 2HD2 ASN 40 2HD2 ASN 40 -20.073 7.705 -15.652 313 H LEU 41 H LEU 41 -19.222 3.237 -12.203 314 HA LEU 41 HA LEU 41 -21.947 4.222 -12.600 315 1HB LEU 41 1HB LEU 41 -20.650 1.533 -13.021 316 2HB LEU 41 2HB LEU 41 -22.386 1.771 -13.066 317 HG LEU 41 HG LEU 41 -20.518 3.341 -14.847 318 1HD1 LEU 41 1HD1 LEU 41 -21.055 1.680 -16.631 319 2HD1 LEU 41 2HD1 LEU 41 -20.018 1.047 -15.330 320 3HD1 LEU 41 3HD1 LEU 41 -21.746 0.624 -15.375 321 1HD2 LEU 41 1HD2 LEU 41 -23.110 3.800 -14.333 322 2HD2 LEU 41 2HD2 LEU 41 -22.359 4.109 -15.917 323 3HD2 LEU 41 3HD2 LEU 41 -23.284 2.612 -15.647 324 H ILE 42 H ILE 42 -20.046 1.857 -10.604 325 HA ILE 42 HA ILE 42 -22.066 1.220 -8.845 326 HB ILE 42 HB ILE 42 -19.071 1.329 -8.571 327 1HG1 ILE 42 1HG1 ILE 42 -19.852 -0.316 -10.139 328 2HG1 ILE 42 2HG1 ILE 42 -19.302 -1.134 -8.691 329 1HG2 ILE 42 1HG2 ILE 42 -20.128 1.661 -6.344 330 2HG2 ILE 42 2HG2 ILE 42 -20.995 0.122 -6.566 331 3HG2 ILE 42 3HG2 ILE 42 -19.217 0.139 -6.486 332 1HD1 ILE 42 1HD1 ILE 42 -21.996 -1.040 -9.873 333 2HD1 ILE 42 2HD1 ILE 42 -21.314 -2.193 -8.701 334 3HD1 ILE 42 3HD1 ILE 42 -22.001 -0.650 -8.136 335 H GLU 43 H GLU 43 -23.389 2.752 -7.965 336 HA GLU 43 HA GLU 43 -22.805 5.310 -7.438 337 1HB GLU 43 1HB GLU 43 -24.935 3.576 -6.928 338 2HB GLU 43 2HB GLU 43 -24.490 4.123 -5.324 339 1HG GLU 43 1HG GLU 43 -24.458 6.528 -6.395 340 2HG GLU 43 2HG GLU 43 -25.364 5.796 -7.704 341 HA PRO 44 HA PRO 44 -21.199 4.088 -3.143 342 1HB PRO 44 1HB PRO 44 -20.764 1.457 -2.544 343 2HB PRO 44 2HB PRO 44 -22.231 2.309 -2.106 344 1HG PRO 44 1HG PRO 44 -21.812 0.325 -4.257 345 2HG PRO 44 2HG PRO 44 -23.316 0.859 -3.535 346 1HD PRO 44 1HD PRO 44 -22.266 1.638 -6.088 347 2HD PRO 44 2HD PRO 44 -23.711 2.260 -5.315 348 H MET 45 H MET 45 -19.616 5.151 -4.647 349 HA MET 45 HA MET 45 -17.146 3.936 -4.118 350 1HB MET 45 1HB MET 45 -18.317 2.831 -6.337 351 2HB MET 45 2HB MET 45 -17.567 4.223 -7.094 352 1HG MET 45 1HG MET 45 -15.433 3.404 -6.800 353 2HG MET 45 2HG MET 45 -15.783 2.771 -5.204 354 1HE MET 45 1HE MET 45 -14.074 1.322 -6.197 355 2HE MET 45 2HE MET 45 -14.840 -0.213 -5.719 356 3HE MET 45 3HE MET 45 -14.323 0.037 -7.404 357 H LYS 46 H LYS 46 -16.256 5.840 -3.391 358 HA LYS 46 HA LYS 46 -16.912 8.358 -4.278 359 1HB LYS 46 1HB LYS 46 -14.987 7.138 -2.509 360 2HB LYS 46 2HB LYS 46 -14.214 8.421 -3.417 361 1HG LYS 46 1HG LYS 46 -15.135 9.807 -1.849 362 2HG LYS 46 2HG LYS 46 -16.605 9.633 -2.787 363 1HD LYS 46 1HD LYS 46 -17.588 8.754 -0.941 364 2HD LYS 46 2HD LYS 46 -16.577 7.338 -1.149 365 1HE LYS 46 1HE LYS 46 -15.477 7.830 0.771 366 2HE LYS 46 2HE LYS 46 -14.937 9.348 0.083 367 1HZ LYS 46 1HZ LYS 46 -17.668 9.265 1.008 368 2HZ LYS 46 2HZ LYS 46 -16.513 9.217 2.163 369 3HZ LYS 46 3HZ LYS 46 -16.568 10.468 1.114 370 H ALA 47 H ALA 47 -13.758 6.713 -5.026 371 HA ALA 47 HA ALA 47 -14.025 7.159 -7.806 372 1HB ALA 47 1HB ALA 47 -12.730 9.251 -6.121 373 2HB ALA 47 2HB ALA 47 -11.857 8.772 -7.597 374 3HB ALA 47 3HB ALA 47 -13.523 9.389 -7.709 375 H PHE 48 H PHE 48 -12.210 6.230 -8.979 376 HA PHE 48 HA PHE 48 -10.387 4.746 -7.221 377 1HB PHE 48 1HB PHE 48 -11.867 3.073 -8.060 378 2HB PHE 48 2HB PHE 48 -12.200 3.972 -9.527 379 HD1 PHE 48 HD1 PHE 48 -10.473 4.004 -11.356 380 HD2 PHE 48 HD2 PHE 48 -10.171 1.423 -8.002 381 HE1 PHE 48 HE1 PHE 48 -8.842 2.566 -12.610 382 HE2 PHE 48 HE2 PHE 48 -8.540 -0.016 -9.255 383 HZ PHE 48 HZ PHE 48 -7.895 0.573 -11.544 384 H HIS 49 H HIS 49 -8.229 4.803 -7.778 385 HA HIS 49 HA HIS 49 -7.610 5.885 -10.422 386 1HB HIS 49 1HB HIS 49 -5.663 7.075 -9.203 387 2HB HIS 49 2HB HIS 49 -7.260 7.796 -9.182 388 HD1 HIS 49 HD1 HIS 49 -8.288 8.268 -6.919 389 HD2 HIS 49 HD2 HIS 49 -4.984 5.694 -6.691 390 HE1 HIS 49 HE1 HIS 49 -7.790 7.964 -4.436 391 HE2 HIS 49 HE2 HIS 49 -5.785 6.330 -4.357 392 H TRP 50 H TRP 50 -5.247 5.437 -11.024 393 HA TRP 50 HA TRP 50 -4.438 2.874 -9.826 394 1HB TRP 50 1HB TRP 50 -3.668 2.165 -12.003 395 2HB TRP 50 2HB TRP 50 -5.383 2.523 -12.032 396 HD1 TRP 50 HD1 TRP 50 -5.866 5.248 -13.013 397 HE1 TRP 50 HE1 TRP 50 -4.858 6.436 -15.142 398 HE3 TRP 50 HE3 TRP 50 -1.811 2.210 -13.433 399 HZ2 TRP 50 HZ2 TRP 50 -2.529 5.981 -16.728 400 HZ3 TRP 50 HZ3 TRP 50 -0.219 2.651 -15.300 401 HH2 TRP 50 HH2 TRP 50 -0.526 4.460 -16.914 402 H GLY 51 H GLY 51 -1.964 2.495 -10.388 403 1HA GLY 51 1HA GLY 51 -0.409 4.927 -10.621 404 2HA GLY 51 2HA GLY 51 -0.382 4.192 -9.031 405 H LYS 52 H LYS 52 1.874 4.467 -10.901 406 HA LYS 52 HA LYS 52 2.397 1.613 -11.365 407 1HB LYS 52 1HB LYS 52 2.211 2.622 -13.508 408 2HB LYS 52 2HB LYS 52 3.144 4.025 -13.026 409 1HG LYS 52 1HG LYS 52 5.175 2.633 -12.766 410 2HG LYS 52 2HG LYS 52 4.260 1.183 -13.127 411 1HD LYS 52 1HD LYS 52 3.704 2.942 -15.282 412 2HD LYS 52 2HD LYS 52 5.417 3.145 -14.971 413 1HE LYS 52 1HE LYS 52 5.050 0.361 -14.799 414 2HE LYS 52 2HE LYS 52 3.987 0.831 -16.111 415 1HZ LYS 52 1HZ LYS 52 5.715 1.459 -17.367 416 2HZ LYS 52 2HZ LYS 52 6.608 2.025 -16.123 417 3HZ LYS 52 3HZ LYS 52 6.555 0.422 -16.427 418 H ASP 53 H ASP 53 4.490 0.835 -10.800 419 HA ASP 53 HA ASP 53 5.563 2.195 -8.583 420 1HB ASP 53 1HB ASP 53 6.969 0.287 -8.332 421 2HB ASP 53 2HB ASP 53 5.481 -0.343 -9.009 422 H VAL 54 H VAL 54 7.761 3.105 -8.418 423 HA VAL 54 HA VAL 54 8.802 3.953 -11.024 424 HB VAL 54 HB VAL 54 9.924 5.725 -9.643 425 1HG1 VAL 54 1HG1 VAL 54 6.910 5.788 -9.362 426 2HG1 VAL 54 2HG1 VAL 54 8.027 7.149 -9.626 427 3HG1 VAL 54 3HG1 VAL 54 7.737 5.969 -10.928 428 1HG2 VAL 54 1HG2 VAL 54 9.117 4.138 -7.492 429 2HG2 VAL 54 2HG2 VAL 54 9.801 5.779 -7.410 430 3HG2 VAL 54 3HG2 VAL 54 8.036 5.550 -7.430 431 H SER 55 H SER 55 10.562 2.886 -11.748 432 HA SER 55 HA SER 55 11.928 1.112 -10.064 433 1HB SER 55 1HB SER 55 11.615 0.928 -12.592 434 2HB SER 55 2HB SER 55 12.836 2.171 -12.775 435 HG SER 55 HG SER 55 14.353 0.776 -11.651 436 H ILE 56 H ILE 56 13.396 1.695 -8.510 437 HA ILE 56 HA ILE 56 14.966 4.123 -9.018 438 HB ILE 56 HB ILE 56 13.370 4.114 -7.088 439 1HG1 ILE 56 1HG1 ILE 56 15.551 4.653 -5.479 440 2HG1 ILE 56 2HG1 ILE 56 16.221 4.822 -7.089 441 1HG2 ILE 56 1HG2 ILE 56 13.515 2.693 -5.325 442 2HG2 ILE 56 2HG2 ILE 56 14.146 1.607 -6.586 443 3HG2 ILE 56 3HG2 ILE 56 15.271 2.462 -5.503 444 1HD1 ILE 56 1HD1 ILE 56 14.169 6.275 -7.657 445 2HD1 ILE 56 2HD1 ILE 56 13.826 6.284 -5.910 446 3HD1 ILE 56 3HD1 ILE 56 15.345 6.981 -6.522 447 H GLU 57 H GLU 57 15.016 0.689 -8.864 448 HA GLU 57 HA GLU 57 17.594 0.461 -9.613 449 1HB GLU 57 1HB GLU 57 17.550 1.194 -6.878 450 2HB GLU 57 2HB GLU 57 17.903 -0.523 -6.877 451 1HG GLU 57 1HG GLU 57 19.862 -0.248 -8.221 452 2HG GLU 57 2HG GLU 57 19.377 1.346 -8.765 453 H ASN 58 H ASN 58 15.070 -0.700 -10.153 454 HA ASN 58 HA ASN 58 13.989 -2.582 -10.340 455 1HB ASN 58 1HB ASN 58 16.405 -3.003 -11.399 456 2HB ASN 58 2HB ASN 58 16.596 -4.118 -10.061 457 1HD2 ASN 58 1HD2 ASN 58 16.783 -5.344 -12.274 458 2HD2 ASN 58 2HD2 ASN 58 15.358 -6.193 -12.772 459 H LEU 59 H LEU 59 12.932 -2.549 -8.211 460 HA LEU 59 HA LEU 59 13.892 -4.677 -6.478 461 1HB LEU 59 1HB LEU 59 14.147 -1.881 -5.868 462 2HB LEU 59 2HB LEU 59 13.004 -2.616 -4.762 463 HG LEU 59 HG LEU 59 15.241 -4.372 -4.950 464 1HD1 LEU 59 1HD1 LEU 59 16.353 -1.837 -3.921 465 2HD1 LEU 59 2HD1 LEU 59 17.130 -3.158 -4.828 466 3HD1 LEU 59 3HD1 LEU 59 16.168 -1.933 -5.689 467 1HD2 LEU 59 1HD2 LEU 59 14.234 -4.513 -2.932 468 2HD2 LEU 59 2HD2 LEU 59 15.466 -3.307 -2.490 469 3HD2 LEU 59 3HD2 LEU 59 13.813 -2.784 -2.893 470 H HIS 60 H HIS 60 12.151 -5.944 -7.225 471 HA HIS 60 HA HIS 60 9.724 -5.448 -5.873 472 1HB HIS 60 1HB HIS 60 8.237 -5.188 -7.765 473 2HB HIS 60 2HB HIS 60 9.389 -3.868 -7.711 474 HD1 HIS 60 HD1 HIS 60 8.497 -6.947 -9.716 475 HD2 HIS 60 HD2 HIS 60 11.138 -3.694 -9.905 476 HE1 HIS 60 HE1 HIS 60 9.496 -6.973 -12.064 477 HE2 HIS 60 HE2 HIS 60 11.069 -4.920 -12.138 478 H GLN 61 H GLN 61 8.146 -7.277 -6.266 479 HA GLN 61 HA GLN 61 9.713 -9.646 -6.821 480 1HB GLN 61 1HB GLN 61 7.772 -8.961 -4.853 481 2HB GLN 61 2HB GLN 61 7.021 -10.186 -5.856 482 1HG GLN 61 1HG GLN 61 8.331 -11.145 -3.928 483 2HG GLN 61 2HG GLN 61 8.863 -11.737 -5.489 484 1HE2 GLN 61 1HE2 GLN 61 9.594 -9.762 -2.736 485 2HE2 GLN 61 2HE2 GLN 61 11.264 -9.451 -3.074 486 H GLY 62 H GLY 62 7.133 -7.649 -8.106 487 1HA GLY 62 1HA GLY 62 6.925 -8.202 -10.579 488 2HA GLY 62 2HA GLY 62 6.379 -9.770 -10.017 489 H TYR 63 H TYR 63 5.744 -6.468 -8.656 490 HA TYR 63 HA TYR 63 2.930 -7.106 -8.538 491 1HB TYR 63 1HB TYR 63 4.713 -4.693 -7.831 492 2HB TYR 63 2HB TYR 63 3.001 -4.745 -7.460 493 HD1 TYR 63 HD1 TYR 63 6.258 -5.455 -6.253 494 HD2 TYR 63 HD2 TYR 63 2.199 -6.780 -5.996 495 HE1 TYR 63 HE1 TYR 63 6.765 -6.602 -4.041 496 HE2 TYR 63 HE2 TYR 63 2.719 -7.923 -3.785 497 HH TYR 63 HH TYR 63 4.333 -8.598 -2.448 498 H THR 64 H THR 64 5.160 -4.954 -10.355 499 HA THR 64 HA THR 64 4.873 -3.800 -12.236 500 HB THR 64 HB THR 64 3.471 -4.759 -13.841 501 HG1 THR 64 HG1 THR 64 1.316 -4.595 -13.357 502 1HG2 THR 64 1HG2 THR 64 3.382 -7.058 -13.496 503 2HG2 THR 64 2HG2 THR 64 4.410 -6.650 -12.102 504 3HG2 THR 64 3HG2 THR 64 2.660 -6.883 -11.879 505 H HIS 65 H HIS 65 1.637 -3.994 -10.600 506 HA HIS 65 HA HIS 65 1.802 -1.184 -10.072 507 1HB HIS 65 1HB HIS 65 -0.311 -2.238 -11.973 508 2HB HIS 65 2HB HIS 65 -0.318 -0.644 -11.246 509 HD1 HIS 65 HD1 HIS 65 1.957 -2.752 -13.501 510 HD2 HIS 65 HD2 HIS 65 0.983 1.255 -12.730 511 HE1 HIS 65 HE1 HIS 65 3.206 -1.364 -15.241 512 HE2 HIS 65 HE2 HIS 65 2.526 1.083 -14.750 513 H ILE 66 H ILE 66 -0.461 -0.505 -9.003 514 HA ILE 66 HA ILE 66 -1.604 -2.792 -7.607 515 HB ILE 66 HB ILE 66 -1.266 -1.859 -5.445 516 1HG1 ILE 66 1HG1 ILE 66 0.495 0.227 -5.558 517 2HG1 ILE 66 2HG1 ILE 66 -0.506 0.566 -6.955 518 1HG2 ILE 66 1HG2 ILE 66 0.619 -3.138 -6.756 519 2HG2 ILE 66 2HG2 ILE 66 1.474 -1.583 -6.621 520 3HG2 ILE 66 3HG2 ILE 66 0.937 -2.433 -5.153 521 1HD1 ILE 66 1HD1 ILE 66 -2.286 -0.239 -4.863 522 2HD1 ILE 66 2HD1 ILE 66 -1.140 0.926 -4.158 523 3HD1 ILE 66 3HD1 ILE 66 -2.108 1.380 -5.582 524 H PHE 67 H PHE 67 -3.785 -2.555 -7.191 525 HA PHE 67 HA PHE 67 -4.934 -0.071 -8.215 526 1HB PHE 67 1HB PHE 67 -6.037 -2.879 -7.603 527 2HB PHE 67 2HB PHE 67 -7.016 -1.581 -8.257 528 HD1 PHE 67 HD1 PHE 67 -5.681 -0.420 -10.403 529 HD2 PHE 67 HD2 PHE 67 -5.475 -4.471 -9.156 530 HE1 PHE 67 HE1 PHE 67 -5.034 -1.104 -12.730 531 HE2 PHE 67 HE2 PHE 67 -4.828 -5.155 -11.483 532 HZ PHE 67 HZ PHE 67 -4.615 -3.463 -13.242 533 H GLU 68 H GLU 68 -5.897 1.374 -6.859 534 HA GLU 68 HA GLU 68 -6.502 0.379 -4.182 535 1HB GLU 68 1HB GLU 68 -5.226 2.943 -5.126 536 2HB GLU 68 2HB GLU 68 -6.197 2.987 -3.667 537 1HG GLU 68 1HG GLU 68 -4.783 0.877 -2.947 538 2HG GLU 68 2HG GLU 68 -3.672 1.389 -4.201 539 H SER 69 H SER 69 -8.532 0.879 -3.297 540 HA SER 69 HA SER 69 -10.258 2.421 -5.073 541 1HB SER 69 1HB SER 69 -10.692 -0.100 -5.007 542 2HB SER 69 2HB SER 69 -11.141 0.088 -3.323 543 HG SER 69 HG SER 69 -12.392 1.811 -5.223 544 H THR 70 H THR 70 -11.804 3.828 -4.038 545 HA THR 70 HA THR 70 -11.150 4.351 -1.221 546 HB THR 70 HB THR 70 -12.400 6.100 -3.407 547 HG1 THR 70 HG1 THR 70 -9.826 6.119 -2.000 548 1HG2 THR 70 1HG2 THR 70 -13.077 6.893 -1.159 549 2HG2 THR 70 2HG2 THR 70 -11.403 6.726 -0.577 550 3HG2 THR 70 3HG2 THR 70 -11.801 7.956 -1.801 551 H PHE 71 H PHE 71 -12.606 4.104 0.378 552 HA PHE 71 HA PHE 71 -15.372 3.617 -0.469 553 1HB PHE 71 1HB PHE 71 -13.660 2.243 1.691 554 2HB PHE 71 2HB PHE 71 -15.362 1.910 1.438 555 HD1 PHE 71 HD1 PHE 71 -12.056 0.994 0.558 556 HD2 PHE 71 HD2 PHE 71 -16.036 1.046 -0.914 557 HE1 PHE 71 HE1 PHE 71 -11.462 -0.781 -1.115 558 HE2 PHE 71 HE2 PHE 71 -15.441 -0.729 -2.586 559 HZ PHE 71 HZ PHE 71 -13.161 -1.621 -2.667 560 H GLU 72 H GLU 72 -17.018 4.272 1.040 561 HA GLU 72 HA GLU 72 -16.377 6.603 2.400 562 1HB GLU 72 1HB GLU 72 -18.653 5.742 1.434 563 2HB GLU 72 2HB GLU 72 -18.849 4.941 2.980 564 1HG GLU 72 1HG GLU 72 -19.146 6.923 4.137 565 2HG GLU 72 2HG GLU 72 -18.018 7.809 3.130 566 H SER 73 H SER 73 -16.705 3.189 3.439 567 HA SER 73 HA SER 73 -15.124 3.646 5.682 568 1HB SER 73 1HB SER 73 -17.637 4.522 6.225 569 2HB SER 73 2HB SER 73 -17.853 2.828 6.618 570 HG SER 73 HG SER 73 -16.567 3.013 8.351 571 H LYS 74 H LYS 74 -15.247 1.529 7.185 572 HA LYS 74 HA LYS 74 -14.803 -0.648 5.492 573 1HB LYS 74 1HB LYS 74 -14.332 -1.865 7.467 574 2HB LYS 74 2HB LYS 74 -13.790 -0.224 7.759 575 1HG LYS 74 1HG LYS 74 -16.127 0.183 8.830 576 2HG LYS 74 2HG LYS 74 -16.321 -1.558 8.800 577 1HD LYS 74 1HD LYS 74 -13.748 -0.517 9.948 578 2HD LYS 74 2HD LYS 74 -15.196 -0.233 10.892 579 1HE LYS 74 1HE LYS 74 -14.211 -2.948 9.891 580 2HE LYS 74 2HE LYS 74 -14.148 -2.377 11.547 581 1HZ LYS 74 1HZ LYS 74 -16.068 -3.556 11.536 582 2HZ LYS 74 2HZ LYS 74 -16.675 -2.083 11.175 583 3HZ LYS 74 3HZ LYS 74 -16.461 -3.190 9.993 584 H GLU 75 H GLU 75 -17.688 0.567 7.172 585 HA GLU 75 HA GLU 75 -19.151 -1.793 7.030 586 1HB GLU 75 1HB GLU 75 -20.007 1.128 7.151 587 2HB GLU 75 2HB GLU 75 -21.143 -0.202 7.260 588 1HG GLU 75 1HG GLU 75 -19.550 -1.091 9.170 589 2HG GLU 75 2HG GLU 75 -18.931 0.548 9.197 590 H ALA 76 H ALA 76 -18.629 0.917 4.737 591 HA ALA 76 HA ALA 76 -20.621 0.038 2.908 592 1HB ALA 76 1HB ALA 76 -19.833 1.825 1.549 593 2HB ALA 76 2HB ALA 76 -19.639 2.392 3.225 594 3HB ALA 76 3HB ALA 76 -18.226 1.805 2.316 595 H VAL 77 H VAL 77 -17.151 -0.591 3.466 596 HA VAL 77 HA VAL 77 -16.486 -1.668 1.018 597 HB VAL 77 HB VAL 77 -15.579 -2.164 3.842 598 1HG1 VAL 77 1HG1 VAL 77 -15.263 -4.268 2.578 599 2HG1 VAL 77 2HG1 VAL 77 -14.340 -3.374 1.346 600 3HG1 VAL 77 3HG1 VAL 77 -13.717 -3.498 3.009 601 1HG2 VAL 77 1HG2 VAL 77 -14.929 -0.304 1.710 602 2HG2 VAL 77 2HG2 VAL 77 -14.443 -0.288 3.422 603 3HG2 VAL 77 3HG2 VAL 77 -13.488 -1.208 2.235 604 H ALA 78 H ALA 78 -18.589 -2.888 3.567 605 HA ALA 78 HA ALA 78 -18.452 -5.614 2.766 606 1HB ALA 78 1HB ALA 78 -20.851 -4.519 4.174 607 2HB ALA 78 2HB ALA 78 -19.865 -5.955 4.542 608 3HB ALA 78 3HB ALA 78 -19.281 -4.335 4.992 609 H GLU 79 H GLU 79 -20.660 -2.826 2.115 610 HA GLU 79 HA GLU 79 -22.494 -4.286 0.645 611 1HB GLU 79 1HB GLU 79 -22.639 -1.875 1.604 612 2HB GLU 79 2HB GLU 79 -21.826 -1.365 0.139 613 1HG GLU 79 1HG GLU 79 -24.091 -1.152 -0.461 614 2HG GLU 79 2HG GLU 79 -23.687 -2.726 -1.118 615 H TYR 80 H TYR 80 -19.411 -2.681 -0.242 616 HA TYR 80 HA TYR 80 -19.748 -2.897 -3.030 617 1HB TYR 80 1HB TYR 80 -18.059 -1.401 -2.205 618 2HB TYR 80 2HB TYR 80 -17.554 -2.521 -0.955 619 HD1 TYR 80 HD1 TYR 80 -17.725 -2.586 -4.714 620 HD2 TYR 80 HD2 TYR 80 -15.387 -3.284 -1.201 621 HE1 TYR 80 HE1 TYR 80 -15.765 -3.321 -6.156 622 HE2 TYR 80 HE2 TYR 80 -13.434 -4.017 -2.655 623 HH TYR 80 HH TYR 80 -12.632 -4.037 -4.709 624 H ILE 81 H ILE 81 -18.047 -4.968 -0.585 625 HA ILE 81 HA ILE 81 -17.201 -6.842 -2.529 626 HB ILE 81 HB ILE 81 -17.396 -6.929 0.479 627 1HG1 ILE 81 1HG1 ILE 81 -14.970 -6.648 -1.314 628 2HG1 ILE 81 2HG1 ILE 81 -15.815 -5.290 -0.600 629 1HG2 ILE 81 1HG2 ILE 81 -15.962 -8.923 0.377 630 2HG2 ILE 81 2HG2 ILE 81 -17.555 -9.204 -0.366 631 3HG2 ILE 81 3HG2 ILE 81 -16.126 -8.944 -1.395 632 1HD1 ILE 81 1HD1 ILE 81 -14.100 -5.717 0.963 633 2HD1 ILE 81 2HD1 ILE 81 -15.493 -6.566 1.675 634 3HD1 ILE 81 3HD1 ILE 81 -14.251 -7.482 0.788 635 H ALA 82 H ALA 82 -20.235 -6.151 -1.010 636 HA ALA 82 HA ALA 82 -21.195 -8.870 -1.449 637 1HB ALA 82 1HB ALA 82 -23.054 -8.238 -0.109 638 2HB ALA 82 2HB ALA 82 -21.644 -7.479 0.668 639 3HB ALA 82 3HB ALA 82 -22.736 -6.502 -0.343 640 H HIS 83 H HIS 83 -20.351 -6.875 -3.618 641 HA HIS 83 HA HIS 83 -22.960 -6.594 -4.911 642 1HB HIS 83 1HB HIS 83 -21.055 -4.692 -4.506 643 2HB HIS 83 2HB HIS 83 -20.581 -5.276 -6.088 644 HD1 HIS 83 HD1 HIS 83 -21.990 -4.561 -8.089 645 HD2 HIS 83 HD2 HIS 83 -23.747 -3.589 -4.406 646 HE1 HIS 83 HE1 HIS 83 -23.985 -3.062 -8.622 647 HE2 HIS 83 HE2 HIS 83 -25.057 -2.542 -6.325 648 HA PRO 84 HA PRO 84 -21.700 -9.801 -7.554 649 1HB PRO 84 1HB PRO 84 -23.762 -9.700 -9.345 650 2HB PRO 84 2HB PRO 84 -23.868 -10.533 -7.807 651 1HG PRO 84 1HG PRO 84 -25.051 -7.941 -8.596 652 2HG PRO 84 2HG PRO 84 -25.480 -8.979 -7.251 653 1HD PRO 84 1HD PRO 84 -23.955 -6.553 -7.129 654 2HD PRO 84 2HD PRO 84 -24.285 -7.651 -5.804 655 H ALA 85 H ALA 85 -22.559 -6.689 -8.898 656 HA ALA 85 HA ALA 85 -21.465 -7.065 -11.411 657 1HB ALA 85 1HB ALA 85 -21.130 -4.393 -10.153 658 2HB ALA 85 2HB ALA 85 -21.959 -4.854 -11.659 659 3HB ALA 85 3HB ALA 85 -22.776 -5.067 -10.092 660 H HIS 86 H HIS 86 -19.947 -5.909 -8.332 661 HA HIS 86 HA HIS 86 -17.420 -5.539 -9.526 662 1HB HIS 86 1HB HIS 86 -17.525 -4.294 -7.644 663 2HB HIS 86 2HB HIS 86 -18.611 -5.402 -6.829 664 HD1 HIS 86 HD1 HIS 86 -14.911 -5.403 -7.877 665 HD2 HIS 86 HD2 HIS 86 -17.399 -6.681 -4.752 666 HE1 HIS 86 HE1 HIS 86 -13.375 -6.420 -6.112 667 HE2 HIS 86 HE2 HIS 86 -14.956 -7.138 -4.192 668 H VAL 87 H VAL 87 -19.052 -8.242 -7.818 669 HA VAL 87 HA VAL 87 -16.785 -9.852 -7.528 670 HB VAL 87 HB VAL 87 -19.720 -10.118 -7.383 671 1HG1 VAL 87 1HG1 VAL 87 -19.562 -12.626 -7.214 672 2HG1 VAL 87 2HG1 VAL 87 -19.370 -11.974 -8.859 673 3HG1 VAL 87 3HG1 VAL 87 -17.942 -12.511 -7.942 674 1HG2 VAL 87 1HG2 VAL 87 -18.797 -9.802 -5.302 675 2HG2 VAL 87 2HG2 VAL 87 -18.823 -11.581 -5.360 676 3HG2 VAL 87 3HG2 VAL 87 -17.313 -10.701 -5.697 677 H GLU 88 H GLU 88 -19.244 -9.552 -10.161 678 HA GLU 88 HA GLU 88 -18.318 -11.639 -11.686 679 1HB GLU 88 1HB GLU 88 -20.412 -10.007 -11.902 680 2HB GLU 88 2HB GLU 88 -19.363 -9.124 -12.992 681 1HG GLU 88 1HG GLU 88 -19.901 -10.593 -14.630 682 2HG GLU 88 2HG GLU 88 -19.056 -11.844 -13.739 683 H PHE 89 H PHE 89 -17.338 -8.159 -11.628 684 HA PHE 89 HA PHE 89 -15.539 -8.382 -13.777 685 1HB PHE 89 1HB PHE 89 -16.688 -6.359 -12.415 686 2HB PHE 89 2HB PHE 89 -15.266 -6.486 -11.398 687 HD1 PHE 89 HD1 PHE 89 -13.949 -4.640 -11.846 688 HD2 PHE 89 HD2 PHE 89 -15.637 -6.775 -15.101 689 HE1 PHE 89 HE1 PHE 89 -12.669 -3.199 -13.454 690 HE2 PHE 89 HE2 PHE 89 -14.357 -5.334 -16.710 691 HZ PHE 89 HZ PHE 89 -12.889 -3.564 -15.867 692 H ALA 90 H ALA 90 -15.177 -8.627 -10.190 693 HA ALA 90 HA ALA 90 -12.421 -8.713 -10.086 694 1HB ALA 90 1HB ALA 90 -13.937 -10.505 -8.254 695 2HB ALA 90 2HB ALA 90 -12.778 -9.206 -7.885 696 3HB ALA 90 3HB ALA 90 -14.463 -8.805 -8.295 697 H THR 91 H THR 91 -14.830 -11.323 -10.721 698 HA THR 91 HA THR 91 -12.928 -13.410 -10.764 699 HB THR 91 HB THR 91 -15.711 -13.113 -12.013 700 HG1 THR 91 HG1 THR 91 -16.143 -13.215 -9.844 701 1HG2 THR 91 1HG2 THR 91 -15.682 -15.669 -11.525 702 2HG2 THR 91 2HG2 THR 91 -14.774 -15.125 -12.956 703 3HG2 THR 91 3HG2 THR 91 -13.911 -15.513 -11.449 704 H ILE 92 H ILE 92 -14.114 -11.109 -13.229 705 HA ILE 92 HA ILE 92 -12.831 -12.515 -15.356 706 HB ILE 92 HB ILE 92 -14.209 -9.862 -15.068 707 1HG1 ILE 92 1HG1 ILE 92 -15.661 -11.790 -15.160 708 2HG1 ILE 92 2HG1 ILE 92 -15.799 -10.880 -16.651 709 1HG2 ILE 92 1HG2 ILE 92 -12.593 -9.237 -16.616 710 2HG2 ILE 92 2HG2 ILE 92 -12.537 -10.851 -17.366 711 3HG2 ILE 92 3HG2 ILE 92 -13.940 -9.790 -17.640 712 1HD1 ILE 92 1HD1 ILE 92 -15.621 -13.116 -17.400 713 2HD1 ILE 92 2HD1 ILE 92 -13.958 -12.505 -17.572 714 3HD1 ILE 92 3HD1 ILE 92 -14.392 -13.525 -16.179 715 H PHE 93 H PHE 93 -11.985 -9.982 -13.014 716 HA PHE 93 HA PHE 93 -9.687 -9.110 -14.439 717 1HB PHE 93 1HB PHE 93 -11.274 -8.398 -12.183 718 2HB PHE 93 2HB PHE 93 -9.731 -8.834 -11.478 719 HD1 PHE 93 HD1 PHE 93 -11.086 -6.778 -14.287 720 HD2 PHE 93 HD2 PHE 93 -8.130 -7.187 -11.271 721 HE1 PHE 93 HE1 PHE 93 -10.181 -4.511 -14.868 722 HE2 PHE 93 HE2 PHE 93 -7.224 -4.919 -11.852 723 HZ PHE 93 HZ PHE 93 -8.260 -3.608 -13.643 724 H LEU 94 H LEU 94 -10.242 -11.249 -11.557 725 HA LEU 94 HA LEU 94 -7.560 -11.817 -11.104 726 1HB LEU 94 1HB LEU 94 -8.322 -13.157 -9.479 727 2HB LEU 94 2HB LEU 94 -9.811 -12.284 -9.785 728 HG LEU 94 HG LEU 94 -10.250 -14.279 -11.480 729 1HD1 LEU 94 1HD1 LEU 94 -8.927 -15.992 -9.475 730 2HD1 LEU 94 2HD1 LEU 94 -9.087 -16.185 -11.238 731 3HD1 LEU 94 3HD1 LEU 94 -7.830 -15.117 -10.570 732 1HD2 LEU 94 1HD2 LEU 94 -10.611 -14.916 -8.565 733 2HD2 LEU 94 2HD2 LEU 94 -11.453 -13.531 -9.301 734 3HD2 LEU 94 3HD2 LEU 94 -11.721 -15.174 -9.932 735 H GLY 95 H GLY 95 -9.896 -13.072 -13.471 736 1HA GLY 95 1HA GLY 95 -8.330 -15.357 -14.201 737 2HA GLY 95 2HA GLY 95 -9.719 -14.695 -15.039 738 H SER 96 H SER 96 -8.359 -11.910 -15.008 739 HA SER 96 HA SER 96 -6.938 -12.377 -17.457 740 1HB SER 96 1HB SER 96 -7.539 -9.734 -16.059 741 2HB SER 96 2HB SER 96 -7.031 -9.938 -17.723 742 HG SER 96 HG SER 96 -9.355 -9.623 -17.499 743 H LEU 97 H LEU 97 -6.371 -11.205 -14.106 744 HA LEU 97 HA LEU 97 -3.584 -10.682 -14.714 745 1HB LEU 97 1HB LEU 97 -5.286 -10.301 -12.253 746 2HB LEU 97 2HB LEU 97 -3.557 -10.016 -12.279 747 HG LEU 97 HG LEU 97 -5.267 -8.052 -12.617 748 1HD1 LEU 97 1HD1 LEU 97 -2.798 -8.303 -14.357 749 2HD1 LEU 97 2HD1 LEU 97 -3.582 -6.794 -13.830 750 3HD1 LEU 97 3HD1 LEU 97 -2.812 -7.862 -12.632 751 1HD2 LEU 97 1HD2 LEU 97 -5.743 -7.542 -14.955 752 2HD2 LEU 97 2HD2 LEU 97 -5.000 -9.080 -15.456 753 3HD2 LEU 97 3HD2 LEU 97 -6.485 -9.087 -14.475 754 H ASP 98 H ASP 98 -1.827 -11.837 -13.804 755 HA ASP 98 HA ASP 98 -2.168 -14.546 -13.697 756 1HB ASP 98 1HB ASP 98 -0.017 -13.109 -13.976 757 2HB ASP 98 2HB ASP 98 0.035 -13.040 -12.225 758 H LYS 99 H LYS 99 -1.233 -12.338 -10.938 759 HA LYS 99 HA LYS 99 -2.718 -14.143 -9.156 760 1HB LYS 99 1HB LYS 99 -1.073 -13.651 -7.422 761 2HB LYS 99 2HB LYS 99 -0.312 -14.376 -8.824 762 1HG LYS 99 1HG LYS 99 0.882 -12.475 -9.333 763 2HG LYS 99 2HG LYS 99 -0.441 -11.404 -8.916 764 1HD LYS 99 1HD LYS 99 0.044 -12.016 -6.440 765 2HD LYS 99 2HD LYS 99 1.531 -12.740 -7.017 766 1HE LYS 99 1HE LYS 99 2.165 -10.522 -6.432 767 2HE LYS 99 2HE LYS 99 2.013 -10.468 -8.177 768 1HZ LYS 99 1HZ LYS 99 -0.404 -9.911 -6.738 769 2HZ LYS 99 2HZ LYS 99 0.780 -8.805 -6.534 770 3HZ LYS 99 3HZ LYS 99 0.236 -9.152 -8.035 771 H VAL 100 H VAL 100 -3.590 -13.041 -7.172 772 HA VAL 100 HA VAL 100 -3.879 -10.183 -7.367 773 HB VAL 100 HB VAL 100 -5.604 -10.639 -8.854 774 1HG1 VAL 100 1HG1 VAL 100 -6.152 -12.806 -9.090 775 2HG1 VAL 100 2HG1 VAL 100 -5.809 -13.176 -7.383 776 3HG1 VAL 100 3HG1 VAL 100 -7.383 -12.486 -7.845 777 1HG2 VAL 100 1HG2 VAL 100 -7.756 -10.418 -7.431 778 2HG2 VAL 100 2HG2 VAL 100 -6.651 -10.387 -6.036 779 3HG2 VAL 100 3HG2 VAL 100 -6.518 -9.145 -7.303 780 H LEU 101 H LEU 101 -3.764 -9.406 -5.324 781 HA LEU 101 HA LEU 101 -4.808 -11.120 -3.190 782 1HB LEU 101 1HB LEU 101 -2.076 -9.878 -3.393 783 2HB LEU 101 2HB LEU 101 -2.800 -10.246 -1.840 784 HG LEU 101 HG LEU 101 -1.448 -12.088 -2.286 785 1HD1 LEU 101 1HD1 LEU 101 -2.893 -13.840 -2.120 786 2HD1 LEU 101 2HD1 LEU 101 -4.045 -12.502 -1.892 787 3HD1 LEU 101 3HD1 LEU 101 -3.901 -13.291 -3.481 788 1HD2 LEU 101 1HD2 LEU 101 -0.668 -12.558 -4.306 789 2HD2 LEU 101 2HD2 LEU 101 -2.287 -13.058 -4.851 790 3HD2 LEU 101 3HD2 LEU 101 -1.784 -11.357 -4.998 791 H VAL 102 H VAL 102 -5.999 -10.044 -1.650 792 HA VAL 102 HA VAL 102 -6.341 -7.186 -2.153 793 HB VAL 102 HB VAL 102 -8.387 -7.543 -0.723 794 1HG1 VAL 102 1HG1 VAL 102 -8.002 -8.936 -3.378 795 2HG1 VAL 102 2HG1 VAL 102 -9.590 -8.860 -2.578 796 3HG1 VAL 102 3HG1 VAL 102 -8.754 -7.358 -3.040 797 1HG2 VAL 102 1HG2 VAL 102 -8.991 -9.563 0.110 798 2HG2 VAL 102 2HG2 VAL 102 -8.313 -10.459 -1.270 799 3HG2 VAL 102 3HG2 VAL 102 -7.242 -9.882 0.029 800 H ILE 103 H ILE 103 -5.426 -5.720 -0.814 801 HA ILE 103 HA ILE 103 -4.939 -6.553 1.946 802 HB ILE 103 HB ILE 103 -2.892 -5.097 0.278 803 1HG1 ILE 103 1HG1 ILE 103 -3.326 -7.448 -0.524 804 2HG1 ILE 103 2HG1 ILE 103 -1.684 -7.108 -0.017 805 1HG2 ILE 103 1HG2 ILE 103 -1.440 -5.956 2.244 806 2HG2 ILE 103 2HG2 ILE 103 -2.490 -4.540 2.495 807 3HG2 ILE 103 3HG2 ILE 103 -2.991 -6.138 3.098 808 1HD1 ILE 103 1HD1 ILE 103 -1.856 -8.395 1.929 809 2HD1 ILE 103 2HD1 ILE 103 -3.621 -8.188 2.032 810 3HD1 ILE 103 3HD1 ILE 103 -2.924 -9.300 0.829 811 H ASP 104 H ASP 104 -5.390 -4.978 3.460 812 HA ASP 104 HA ASP 104 -6.547 -2.581 2.333 813 1HB ASP 104 1HB ASP 104 -7.462 -4.260 4.273 814 2HB ASP 104 2HB ASP 104 -6.580 -3.135 5.286 815 H TYR 105 H TYR 105 -5.681 -0.495 2.807 816 HA TYR 105 HA TYR 105 -3.231 -0.502 4.440 817 1HB TYR 105 1HB TYR 105 -2.621 -0.006 2.163 818 2HB TYR 105 2HB TYR 105 -4.158 0.767 1.829 819 HD1 TYR 105 HD1 TYR 105 -4.372 3.114 1.933 820 HD2 TYR 105 HD2 TYR 105 -0.960 1.232 3.700 821 HE1 TYR 105 HE1 TYR 105 -3.300 5.389 2.302 822 HE2 TYR 105 HE2 TYR 105 0.100 3.514 4.063 823 HH TYR 105 HH TYR 105 -1.657 6.475 3.209 824 H LYS 106 H LYS 106 -3.619 0.444 6.382 825 HA LYS 106 HA LYS 106 -5.265 2.875 6.333 826 1HB LYS 106 1HB LYS 106 -6.703 1.322 7.332 827 2HB LYS 106 2HB LYS 106 -5.408 0.507 8.186 828 1HG LYS 106 1HG LYS 106 -5.662 1.868 9.981 829 2HG LYS 106 2HG LYS 106 -5.422 3.292 8.989 830 1HD LYS 106 1HD LYS 106 -8.056 2.241 8.423 831 2HD LYS 106 2HD LYS 106 -7.871 2.331 10.163 832 1HE LYS 106 1HE LYS 106 -6.805 4.751 9.497 833 2HE LYS 106 2HE LYS 106 -7.891 4.546 8.137 834 1HZ LYS 106 1HZ LYS 106 -9.699 4.546 9.498 835 2HZ LYS 106 2HZ LYS 106 -8.891 4.026 10.818 836 3HZ LYS 106 3HZ LYS 106 -8.732 5.573 10.322 837 HA PRO 107 HA PRO 107 -1.694 4.549 8.125 838 1HB PRO 107 1HB PRO 107 -2.646 7.045 8.700 839 2HB PRO 107 2HB PRO 107 -2.063 6.584 7.113 840 1HG PRO 107 1HG PRO 107 -4.849 6.959 8.028 841 2HG PRO 107 2HG PRO 107 -4.227 6.921 6.390 842 1HD PRO 107 1HD PRO 107 -5.642 4.821 7.739 843 2HD PRO 107 2HD PRO 107 -4.919 4.742 6.144 844 H THR 108 H THR 108 -1.324 3.235 9.894 845 HA THR 108 HA THR 108 -2.776 4.101 12.297 846 HB THR 108 HB THR 108 -1.420 1.530 11.388 847 HG1 THR 108 HG1 THR 108 -3.594 1.161 11.221 848 1HG2 THR 108 1HG2 THR 108 -0.963 0.915 13.538 849 2HG2 THR 108 2HG2 THR 108 -1.383 2.557 14.083 850 3HG2 THR 108 3HG2 THR 108 -2.638 1.297 14.003 851 H SER 109 H SER 109 -1.473 6.090 12.385 852 HA SER 109 HA SER 109 1.314 5.745 12.838 853 1HB SER 109 1HB SER 109 -0.258 7.839 11.983 854 2HB SER 109 2HB SER 109 0.020 8.302 13.651 855 HG SER 109 HG SER 109 2.393 7.790 13.116 856 H VAL 110 H VAL 110 2.425 6.322 14.881 857 HA VAL 110 HA VAL 110 0.753 5.627 17.178 858 HB VAL 110 HB VAL 110 3.718 5.492 16.635 859 1HG1 VAL 110 1HG1 VAL 110 3.476 4.252 19.025 860 2HG1 VAL 110 2HG1 VAL 110 3.928 5.964 18.846 861 3HG1 VAL 110 3HG1 VAL 110 2.244 5.522 19.215 862 1HG2 VAL 110 1HG2 VAL 110 1.594 3.676 16.218 863 2HG2 VAL 110 2HG2 VAL 110 3.342 3.363 16.090 864 3HG2 VAL 110 3HG2 VAL 110 2.497 3.074 17.629 865 H SER 111 H SER 111 0.703 6.932 19.054 866 HA SER 111 HA SER 111 0.995 9.670 18.512 867 1HB SER 111 1HB SER 111 0.746 9.312 21.320 868 2HB SER 111 2HB SER 111 -0.523 9.712 20.180 869 HG SER 111 HG SER 111 -1.191 7.623 20.092 870 H LEU 112 H LEU 112 2.773 10.979 18.791 871 HA LEU 112 HA LEU 112 5.210 9.834 19.655 872 1HB LEU 112 1HB LEU 112 4.559 12.747 19.209 873 2HB LEU 112 2HB LEU 112 6.146 12.003 19.214 874 HG LEU 112 HG LEU 112 3.986 11.348 17.194 875 1HD1 LEU 112 1HD1 LEU 112 4.610 13.701 17.003 876 2HD1 LEU 112 2HD1 LEU 112 6.329 13.250 16.915 877 3HD1 LEU 112 3HD1 LEU 112 5.214 12.761 15.617 878 1HD2 LEU 112 1HD2 LEU 112 6.926 10.648 17.360 879 2HD2 LEU 112 2HD2 LEU 112 5.532 9.541 17.380 880 3HD2 LEU 112 3HD2 LEU 112 5.932 10.441 15.898 881 1H GLY 1 1H GLY 1 19.084 19.513 4.143 882 1HA GLY 1 1HA GLY 1 19.371 20.765 6.146 883 2HA GLY 1 2HA GLY 1 20.871 19.914 6.457 884 H SER 2 H SER 2 22.224 20.014 4.020 885 HA SER 2 HA SER 2 23.211 22.608 4.094 886 1HB SER 2 1HB SER 2 24.488 21.867 2.017 887 2HB SER 2 2HB SER 2 24.681 20.839 3.423 888 HG SER 2 HG SER 2 22.668 20.290 1.431 889 H HIS 3 H HIS 3 20.777 20.959 2.066 890 HA HIS 3 HA HIS 3 19.582 23.332 1.290 891 1HB HIS 3 1HB HIS 3 20.162 23.056 -1.239 892 2HB HIS 3 2HB HIS 3 21.214 23.978 -0.184 893 HD1 HIS 3 HD1 HIS 3 23.635 23.402 -0.366 894 HD2 HIS 3 HD2 HIS 3 21.167 20.192 -1.462 895 HE1 HIS 3 HE1 HIS 3 25.192 21.539 -1.149 896 H MET 4 H MET 4 17.491 22.757 0.954 897 HA MET 4 HA MET 4 17.064 19.997 0.110 898 1HB MET 4 1HB MET 4 15.910 21.728 2.202 899 2HB MET 4 2HB MET 4 14.650 21.081 1.171 900 1HG MET 4 1HG MET 4 15.506 18.768 1.549 901 2HG MET 4 2HG MET 4 16.803 19.399 2.545 902 1HE MET 4 1HE MET 4 14.470 17.219 3.280 903 2HE MET 4 2HE MET 4 15.843 17.597 4.348 904 3HE MET 4 3HE MET 4 14.180 17.655 4.981 905 H GLU 5 H GLU 5 15.393 19.538 -1.459 906 HA GLU 5 HA GLU 5 14.784 21.889 -3.064 907 1HB GLU 5 1HB GLU 5 15.954 19.447 -3.775 908 2HB GLU 5 2HB GLU 5 14.298 19.266 -4.319 909 1HG GLU 5 1HG GLU 5 15.057 20.378 -6.179 910 2HG GLU 5 2HG GLU 5 14.771 21.805 -5.203 911 H GLU 6 H GLU 6 12.619 22.072 -4.033 912 HA GLU 6 HA GLU 6 10.659 20.755 -2.332 913 1HB GLU 6 1HB GLU 6 10.412 23.298 -3.999 914 2HB GLU 6 2HB GLU 6 9.143 22.630 -2.992 915 1HG GLU 6 1HG GLU 6 10.408 23.007 -0.967 916 2HG GLU 6 2HG GLU 6 11.885 23.318 -1.858 917 H ALA 7 H ALA 7 9.525 19.092 -3.227 918 HA ALA 7 HA ALA 7 9.538 18.854 -6.127 919 1HB ALA 7 1HB ALA 7 10.212 16.883 -4.941 920 2HB ALA 7 2HB ALA 7 8.824 16.993 -3.833 921 3HB ALA 7 3HB ALA 7 8.567 16.571 -5.542 922 H LYS 8 H LYS 8 7.201 17.497 -6.652 923 HA LYS 8 HA LYS 8 5.281 19.639 -6.334 924 1HB LYS 8 1HB LYS 8 5.588 17.260 -8.130 925 2HB LYS 8 2HB LYS 8 3.984 17.923 -7.888 926 1HG LYS 8 1HG LYS 8 5.933 20.068 -8.327 927 2HG LYS 8 2HG LYS 8 5.990 18.905 -9.636 928 1HD LYS 8 1HD LYS 8 3.221 19.297 -9.086 929 2HD LYS 8 2HD LYS 8 3.939 20.895 -9.037 930 1HE LYS 8 1HE LYS 8 5.009 20.462 -11.276 931 2HE LYS 8 2HE LYS 8 4.237 18.889 -11.325 932 1HZ LYS 8 1HZ LYS 8 2.493 19.906 -12.165 933 2HZ LYS 8 2HZ LYS 8 2.257 20.694 -10.755 934 3HZ LYS 8 3HZ LYS 8 3.140 21.388 -11.940 935 H GLY 9 H GLY 9 5.149 16.016 -6.018 936 1HA GLY 9 1HA GLY 9 4.010 14.705 -4.594 937 2HA GLY 9 2HA GLY 9 4.242 15.960 -3.393 938 HA PRO 10 HA PRO 10 3.045 14.924 -2.221 939 1HB PRO 10 1HB PRO 10 1.063 13.381 -1.144 940 2HB PRO 10 2HB PRO 10 1.404 15.015 -0.609 941 1HG PRO 10 1HG PRO 10 -0.827 14.042 -2.287 942 2HG PRO 10 2HG PRO 10 -0.695 15.548 -1.401 943 1HD PRO 10 1HD PRO 10 -0.377 15.187 -4.228 944 2HD PRO 10 2HD PRO 10 -0.132 16.670 -3.327 945 H VAL 11 H VAL 11 3.529 12.595 -1.543 946 HA VAL 11 HA VAL 11 3.005 10.843 -3.821 947 HB VAL 11 HB VAL 11 5.588 11.983 -2.985 948 1HG1 VAL 11 1HG1 VAL 11 6.004 9.820 -2.060 949 2HG1 VAL 11 2HG1 VAL 11 5.275 9.006 -3.465 950 3HG1 VAL 11 3HG1 VAL 11 6.819 9.874 -3.642 951 1HG2 VAL 11 1HG2 VAL 11 4.715 10.566 -5.525 952 2HG2 VAL 11 2HG2 VAL 11 4.542 12.310 -5.217 953 3HG2 VAL 11 3HG2 VAL 11 6.162 11.579 -5.307 954 H LYS 12 H LYS 12 2.787 8.662 -3.257 955 HA LYS 12 HA LYS 12 2.901 8.175 -0.363 956 1HB LYS 12 1HB LYS 12 1.014 7.203 -2.507 957 2HB LYS 12 2HB LYS 12 1.209 6.322 -1.005 958 1HG LYS 12 1HG LYS 12 -0.467 7.743 -0.305 959 2HG LYS 12 2HG LYS 12 0.889 8.798 0.044 960 1HD LYS 12 1HD LYS 12 0.432 10.215 -1.729 961 2HD LYS 12 2HD LYS 12 -0.140 8.921 -2.763 962 1HE LYS 12 1HE LYS 12 -2.320 9.039 -1.957 963 2HE LYS 12 2HE LYS 12 -1.820 9.527 -0.350 964 1HZ LYS 12 1HZ LYS 12 -1.050 11.549 -2.025 965 2HZ LYS 12 2HZ LYS 12 -2.554 11.143 -2.516 966 3HZ LYS 12 3HZ LYS 12 -2.291 11.572 -0.963 967 H HIS 13 H HIS 13 4.326 6.683 0.372 968 HA HIS 13 HA HIS 13 5.688 5.113 -1.680 969 1HB HIS 13 1HB HIS 13 7.321 6.326 -0.597 970 2HB HIS 13 2HB HIS 13 6.499 6.282 0.950 971 HD1 HIS 13 HD1 HIS 13 9.290 4.799 -0.801 972 HD2 HIS 13 HD2 HIS 13 6.575 3.493 2.117 973 HE1 HIS 13 HE1 HIS 13 10.351 2.757 0.299 974 HE2 HIS 13 HE2 HIS 13 8.662 2.031 2.120 975 H VAL 14 H VAL 14 4.969 3.062 -1.921 976 HA VAL 14 HA VAL 14 3.800 1.779 0.443 977 HB VAL 14 HB VAL 14 3.480 1.215 -2.511 978 1HG1 VAL 14 1HG1 VAL 14 2.281 -0.134 -0.074 979 2HG1 VAL 14 2HG1 VAL 14 1.633 -0.313 -1.722 980 3HG1 VAL 14 3HG1 VAL 14 3.283 -0.868 -1.349 981 1HG2 VAL 14 1HG2 VAL 14 1.429 2.283 -0.549 982 2HG2 VAL 14 2HG2 VAL 14 2.395 3.311 -1.633 983 3HG2 VAL 14 3HG2 VAL 14 1.267 2.114 -2.313 984 H LEU 15 H LEU 15 5.081 0.360 1.495 985 HA LEU 15 HA LEU 15 6.897 -1.252 -0.133 986 1HB LEU 15 1HB LEU 15 8.206 0.602 0.727 987 2HB LEU 15 2HB LEU 15 7.654 0.278 2.358 988 HG LEU 15 HG LEU 15 9.363 -1.578 0.678 989 1HD1 LEU 15 1HD1 LEU 15 10.672 0.321 1.285 990 2HD1 LEU 15 2HD1 LEU 15 10.060 0.289 2.956 991 3HD1 LEU 15 3HD1 LEU 15 11.125 -1.012 2.374 992 1HD2 LEU 15 1HD2 LEU 15 9.667 -2.628 3.059 993 2HD2 LEU 15 2HD2 LEU 15 8.090 -1.868 3.376 994 3HD2 LEU 15 3HD2 LEU 15 8.259 -3.051 2.057 995 H LEU 16 H LEU 16 6.418 -3.351 0.187 996 HA LEU 16 HA LEU 16 5.112 -4.033 2.720 997 1HB LEU 16 1HB LEU 16 4.083 -5.828 1.613 998 2HB LEU 16 2HB LEU 16 3.897 -4.423 0.582 999 HG LEU 16 HG LEU 16 6.240 -5.618 -0.348 1000 1HD1 LEU 16 1HD1 LEU 16 4.409 -7.908 -0.471 1001 2HD1 LEU 16 2HD1 LEU 16 6.169 -7.849 -0.210 1002 3HD1 LEU 16 3HD1 LEU 16 5.057 -7.585 1.155 1003 1HD2 LEU 16 1HD2 LEU 16 3.915 -4.659 -1.385 1004 2HD2 LEU 16 2HD2 LEU 16 5.173 -5.503 -2.321 1005 3HD2 LEU 16 3HD2 LEU 16 3.753 -6.398 -1.728 1006 H ALA 17 H ALA 17 6.052 -5.442 4.150 1007 HA ALA 17 HA ALA 17 8.449 -6.848 3.227 1008 1HB ALA 17 1HB ALA 17 9.649 -6.163 5.242 1009 2HB ALA 17 2HB ALA 17 9.113 -4.720 4.349 1010 3HB ALA 17 3HB ALA 17 8.233 -5.242 5.805 1011 H SER 18 H SER 18 8.743 -8.893 4.170 1012 HA SER 18 HA SER 18 6.604 -9.649 6.005 1013 1HB SER 18 1HB SER 18 7.714 -11.061 3.574 1014 2HB SER 18 2HB SER 18 7.074 -12.021 4.893 1015 HG SER 18 HG SER 18 5.170 -11.665 3.983 1016 H PHE 19 H PHE 19 7.212 -10.925 7.808 1017 HA PHE 19 HA PHE 19 10.084 -11.046 8.242 1018 1HB PHE 19 1HB PHE 19 7.563 -11.446 9.957 1019 2HB PHE 19 2HB PHE 19 9.179 -11.632 10.608 1020 HD1 PHE 19 HD1 PHE 19 6.908 -9.175 9.007 1021 HD2 PHE 19 HD2 PHE 19 10.389 -9.765 11.361 1022 HE1 PHE 19 HE1 PHE 19 6.993 -6.715 9.498 1023 HE2 PHE 19 HE2 PHE 19 10.474 -7.305 11.852 1024 HZ PHE 19 HZ PHE 19 8.775 -5.809 10.914 1025 H LYS 20 H LYS 20 11.154 -12.897 7.749 1026 HA LYS 20 HA LYS 20 9.613 -15.387 7.836 1027 1HB LYS 20 1HB LYS 20 11.299 -14.294 5.878 1028 2HB LYS 20 2HB LYS 20 12.245 -15.571 6.615 1029 1HG LYS 20 1HG LYS 20 10.264 -17.132 6.327 1030 2HG LYS 20 2HG LYS 20 9.427 -15.852 5.471 1031 1HD LYS 20 1HD LYS 20 10.437 -17.227 3.776 1032 2HD LYS 20 2HD LYS 20 11.399 -15.764 3.845 1033 1HE LYS 20 1HE LYS 20 13.263 -16.909 4.478 1034 2HE LYS 20 2HE LYS 20 12.405 -17.742 5.759 1035 1HZ LYS 20 1HZ LYS 20 12.189 -19.516 4.485 1036 2HZ LYS 20 2HZ LYS 20 11.649 -18.673 3.194 1037 3HZ LYS 20 3HZ LYS 20 13.254 -18.842 3.446 1038 H ASP 21 H ASP 21 11.934 -17.110 7.984 1039 HA ASP 21 HA ASP 21 13.301 -18.027 9.403 1040 1HB ASP 21 1HB ASP 21 13.898 -15.348 9.742 1041 2HB ASP 21 2HB ASP 21 13.445 -15.793 11.376 1042 H GLY 22 H GLY 22 13.433 -18.640 11.926 1043 1HA GLY 22 1HA GLY 22 10.705 -19.083 12.808 1044 2HA GLY 22 2HA GLY 22 12.174 -19.774 13.468 1045 H VAL 23 H VAL 23 11.761 -16.269 12.858 1046 HA VAL 23 HA VAL 23 12.413 -15.713 15.580 1047 HB VAL 23 HB VAL 23 12.833 -14.461 13.241 1048 1HG1 VAL 23 1HG1 VAL 23 11.463 -12.525 12.962 1049 2HG1 VAL 23 2HG1 VAL 23 10.368 -13.923 13.076 1050 3HG1 VAL 23 3HG1 VAL 23 10.584 -12.846 14.476 1051 1HG2 VAL 23 1HG2 VAL 23 13.853 -12.792 14.478 1052 2HG2 VAL 23 2HG2 VAL 23 12.544 -12.733 15.683 1053 3HG2 VAL 23 3HG2 VAL 23 13.701 -14.086 15.691 1054 H SER 24 H SER 24 11.041 -15.496 17.272 1055 HA SER 24 HA SER 24 8.421 -16.137 17.117 1056 1HB SER 24 1HB SER 24 10.190 -14.821 19.096 1057 2HB SER 24 2HB SER 24 8.498 -14.412 19.298 1058 HG SER 24 HG SER 24 9.726 -16.651 20.091 1059 HA PRO 25 HA PRO 25 6.316 -12.568 15.788 1060 1HB PRO 25 1HB PRO 25 3.969 -12.632 17.187 1061 2HB PRO 25 2HB PRO 25 4.275 -13.634 15.783 1062 1HG PRO 25 1HG PRO 25 4.244 -14.403 18.637 1063 2HG PRO 25 2HG PRO 25 4.123 -15.430 17.222 1064 1HD PRO 25 1HD PRO 25 6.432 -15.062 18.883 1065 2HD PRO 25 2HD PRO 25 6.343 -15.997 17.403 1066 H GLU 26 H GLU 26 6.641 -12.846 19.240 1067 HA GLU 26 HA GLU 26 5.890 -10.291 19.883 1068 1HB GLU 26 1HB GLU 26 6.792 -12.473 21.267 1069 2HB GLU 26 2HB GLU 26 8.200 -11.437 21.391 1070 1HG GLU 26 1HG GLU 26 6.223 -9.618 21.955 1071 2HG GLU 26 2HG GLU 26 5.469 -11.080 22.559 1072 H LYS 27 H LYS 27 8.938 -11.557 18.518 1073 HA LYS 27 HA LYS 27 10.514 -9.300 19.025 1074 1HB LYS 27 1HB LYS 27 11.441 -11.485 18.452 1075 2HB LYS 27 2HB LYS 27 10.707 -11.418 16.863 1076 1HG LYS 27 1HG LYS 27 12.239 -9.878 16.055 1077 2HG LYS 27 2HG LYS 27 12.403 -9.063 17.598 1078 1HD LYS 27 1HD LYS 27 13.411 -11.872 17.555 1079 2HD LYS 27 2HD LYS 27 14.294 -10.760 16.528 1080 1HE LYS 27 1HE LYS 27 15.336 -9.861 18.331 1081 2HE LYS 27 2HE LYS 27 13.795 -9.434 19.048 1082 1HZ LYS 27 1HZ LYS 27 15.502 -11.614 19.654 1083 2HZ LYS 27 2HZ LYS 27 14.301 -10.958 20.546 1084 3HZ LYS 27 3HZ LYS 27 13.958 -12.097 19.426 1085 H ILE 28 H ILE 28 8.077 -10.074 16.548 1086 HA ILE 28 HA ILE 28 8.794 -8.042 14.749 1087 HB ILE 28 HB ILE 28 7.107 -10.153 14.726 1088 1HG1 ILE 28 1HG1 ILE 28 6.902 -7.759 12.877 1089 2HG1 ILE 28 2HG1 ILE 28 8.188 -8.948 12.817 1090 1HG2 ILE 28 1HG2 ILE 28 5.193 -7.837 14.583 1091 2HG2 ILE 28 2HG2 ILE 28 4.860 -9.578 14.748 1092 3HG2 ILE 28 3HG2 ILE 28 5.514 -8.662 16.127 1093 1HD1 ILE 28 1HD1 ILE 28 6.767 -10.666 12.076 1094 2HD1 ILE 28 2HD1 ILE 28 5.315 -9.892 12.754 1095 3HD1 ILE 28 3HD1 ILE 28 6.062 -9.241 11.275 1096 H GLU 29 H GLU 29 6.870 -8.125 17.750 1097 HA GLU 29 HA GLU 29 5.695 -5.609 17.326 1098 1HB GLU 29 1HB GLU 29 5.474 -7.713 19.201 1099 2HB GLU 29 2HB GLU 29 6.001 -6.335 20.147 1100 1HG GLU 29 1HG GLU 29 4.033 -5.299 18.381 1101 2HG GLU 29 2HG GLU 29 3.393 -6.840 18.915 1102 H GLU 30 H GLU 30 8.570 -6.771 19.198 1103 HA GLU 30 HA GLU 30 9.219 -4.361 20.333 1104 1HB GLU 30 1HB GLU 30 10.915 -6.740 19.491 1105 2HB GLU 30 2HB GLU 30 11.608 -5.367 20.333 1106 1HG GLU 30 1HG GLU 30 9.897 -5.687 22.173 1107 2HG GLU 30 2HG GLU 30 9.321 -7.122 21.347 1108 H LEU 31 H LEU 31 10.099 -5.749 17.120 1109 HA LEU 31 HA LEU 31 11.852 -3.658 16.422 1110 1HB LEU 31 1HB LEU 31 10.878 -6.104 15.319 1111 2HB LEU 31 2HB LEU 31 10.688 -4.845 14.114 1112 HG LEU 31 HG LEU 31 13.284 -5.460 15.550 1113 1HD1 LEU 31 1HD1 LEU 31 13.959 -6.818 13.826 1114 2HD1 LEU 31 2HD1 LEU 31 12.227 -7.219 13.910 1115 3HD1 LEU 31 3HD1 LEU 31 12.821 -6.099 12.661 1116 1HD2 LEU 31 1HD2 LEU 31 13.712 -4.131 13.091 1117 2HD2 LEU 31 2HD2 LEU 31 12.441 -3.231 13.954 1118 3HD2 LEU 31 3HD2 LEU 31 14.010 -3.530 14.739 1119 H ILE 32 H ILE 32 8.322 -4.166 16.159 1120 HA ILE 32 HA ILE 32 7.919 -1.939 14.444 1121 HB ILE 32 HB ILE 32 6.184 -3.768 16.058 1122 1HG1 ILE 32 1HG1 ILE 32 6.187 -3.108 13.101 1123 2HG1 ILE 32 2HG1 ILE 32 7.138 -4.398 13.809 1124 1HG2 ILE 32 1HG2 ILE 32 4.242 -2.458 14.933 1125 2HG2 ILE 32 2HG2 ILE 32 4.951 -1.846 16.447 1126 3HG2 ILE 32 3HG2 ILE 32 5.404 -1.110 14.891 1127 1HD1 ILE 32 1HD1 ILE 32 4.485 -4.600 12.947 1128 2HD1 ILE 32 2HD1 ILE 32 5.333 -5.768 13.990 1129 3HD1 ILE 32 3HD1 ILE 32 4.339 -4.483 14.717 1130 H LYS 33 H LYS 33 7.454 -2.514 17.998 1131 HA LYS 33 HA LYS 33 6.583 0.019 18.632 1132 1HB LYS 33 1HB LYS 33 6.695 -0.709 20.767 1133 2HB LYS 33 2HB LYS 33 6.954 -2.263 20.001 1134 1HG LYS 33 1HG LYS 33 9.486 -1.718 20.077 1135 2HG LYS 33 2HG LYS 33 9.068 -0.383 21.133 1136 1HD LYS 33 1HD LYS 33 7.769 -2.891 21.975 1137 2HD LYS 33 2HD LYS 33 9.513 -3.052 21.912 1138 1HE LYS 33 1HE LYS 33 8.285 -0.617 23.241 1139 2HE LYS 33 2HE LYS 33 8.350 -2.136 24.113 1140 1HZ LYS 33 1HZ LYS 33 10.714 -0.966 22.833 1141 2HZ LYS 33 2HZ LYS 33 10.299 -0.643 24.379 1142 3HZ LYS 33 3HZ LYS 33 10.670 -2.170 23.935 1143 H GLY 34 H GLY 34 9.847 -1.193 17.889 1144 1HA GLY 34 1HA GLY 34 11.209 1.130 18.868 1145 2HA GLY 34 2HA GLY 34 11.862 -0.160 17.878 1146 H TYR 35 H TYR 35 10.434 -0.171 15.555 1147 HA TYR 35 HA TYR 35 11.506 1.726 13.996 1148 1HB TYR 35 1HB TYR 35 9.298 -0.198 14.008 1149 2HB TYR 35 2HB TYR 35 8.757 1.236 13.157 1150 HD1 TYR 35 HD1 TYR 35 12.091 -0.492 13.266 1151 HD2 TYR 35 HD2 TYR 35 8.787 0.801 10.876 1152 HE1 TYR 35 HE1 TYR 35 13.293 -1.277 11.168 1153 HE2 TYR 35 HE2 TYR 35 10.000 0.011 8.785 1154 HH TYR 35 HH TYR 35 13.007 -0.399 8.496 1155 H ALA 36 H ALA 36 8.378 2.000 15.789 1156 HA ALA 36 HA ALA 36 7.683 4.494 14.703 1157 1HB ALA 36 1HB ALA 36 6.189 4.556 16.772 1158 2HB ALA 36 2HB ALA 36 6.003 3.129 15.724 1159 3HB ALA 36 3HB ALA 36 6.926 3.005 17.241 1160 H ASN 37 H ASN 37 9.513 3.493 17.653 1161 HA ASN 37 HA ASN 37 9.748 6.022 18.718 1162 1HB ASN 37 1HB ASN 37 10.345 4.123 20.086 1163 2HB ASN 37 2HB ASN 37 11.470 3.510 18.890 1164 1HD2 ASN 37 1HD2 ASN 37 10.862 5.969 21.303 1165 2HD2 ASN 37 2HD2 ASN 37 12.497 6.489 21.543 1166 H LEU 38 H LEU 38 11.602 4.213 16.229 1167 HA LEU 38 HA LEU 38 13.827 5.908 16.122 1168 1HB LEU 38 1HB LEU 38 13.294 3.521 15.131 1169 2HB LEU 38 2HB LEU 38 12.826 4.445 13.718 1170 HG LEU 38 HG LEU 38 15.228 5.572 14.163 1171 1HD1 LEU 38 1HD1 LEU 38 16.660 4.429 15.427 1172 2HD1 LEU 38 2HD1 LEU 38 15.252 3.535 16.047 1173 3HD1 LEU 38 3HD1 LEU 38 16.198 2.877 14.690 1174 1HD2 LEU 38 1HD2 LEU 38 15.823 4.605 12.212 1175 2HD2 LEU 38 2HD2 LEU 38 15.409 2.965 12.766 1176 3HD2 LEU 38 3HD2 LEU 38 14.126 4.069 12.215 1177 H VAL 39 H VAL 39 10.577 6.018 14.625 1178 HA VAL 39 HA VAL 39 11.156 8.038 12.772 1179 HB VAL 39 HB VAL 39 8.565 7.311 14.154 1180 1HG1 VAL 39 1HG1 VAL 39 8.428 8.331 11.408 1181 2HG1 VAL 39 2HG1 VAL 39 7.477 8.774 12.845 1182 3HG1 VAL 39 3HG1 VAL 39 9.068 9.521 12.566 1183 1HG2 VAL 39 1HG2 VAL 39 8.573 5.423 12.970 1184 2HG2 VAL 39 2HG2 VAL 39 8.726 6.356 11.462 1185 3HG2 VAL 39 3HG2 VAL 39 10.185 5.827 12.333 1186 H ASN 40 H ASN 40 10.338 8.044 16.249 1187 HA ASN 40 HA ASN 40 9.758 10.771 16.369 1188 1HB ASN 40 1HB ASN 40 9.051 9.254 18.164 1189 2HB ASN 40 2HB ASN 40 10.705 8.763 18.474 1190 1HD2 ASN 40 1HD2 ASN 40 11.881 9.824 19.906 1191 2HD2 ASN 40 2HD2 ASN 40 11.463 11.315 20.682 1192 H LEU 41 H LEU 41 12.710 8.829 16.279 1193 HA LEU 41 HA LEU 41 14.367 10.928 17.360 1194 1HB LEU 41 1HB LEU 41 14.531 8.134 17.071 1195 2HB LEU 41 2HB LEU 41 15.790 8.792 16.046 1196 HG LEU 41 HG LEU 41 16.654 8.281 18.256 1197 1HD1 LEU 41 1HD1 LEU 41 17.545 10.226 16.963 1198 2HD1 LEU 41 2HD1 LEU 41 16.500 11.289 17.938 1199 3HD1 LEU 41 3HD1 LEU 41 17.784 10.339 18.724 1200 1HD2 LEU 41 1HD2 LEU 41 14.896 10.398 19.480 1201 2HD2 LEU 41 2HD2 LEU 41 14.365 8.702 19.367 1202 3HD2 LEU 41 3HD2 LEU 41 15.841 9.114 20.273 1203 H ILE 42 H ILE 42 13.774 9.316 14.172 1204 HA ILE 42 HA ILE 42 15.588 10.910 12.758 1205 HB ILE 42 HB ILE 42 13.110 9.483 11.787 1206 1HG1 ILE 42 1HG1 ILE 42 15.852 8.316 11.564 1207 2HG1 ILE 42 2HG1 ILE 42 15.066 8.258 13.129 1208 1HG2 ILE 42 1HG2 ILE 42 14.298 9.409 9.622 1209 2HG2 ILE 42 2HG2 ILE 42 13.909 11.067 10.141 1210 3HG2 ILE 42 3HG2 ILE 42 15.570 10.450 10.306 1211 1HD1 ILE 42 1HD1 ILE 42 13.424 7.462 10.737 1212 2HD1 ILE 42 2HD1 ILE 42 14.686 6.337 11.293 1213 3HD1 ILE 42 3HD1 ILE 42 13.383 6.831 12.401 1214 H GLU 43 H GLU 43 15.368 13.096 13.398 1215 HA GLU 43 HA GLU 43 13.175 14.536 13.737 1216 1HB GLU 43 1HB GLU 43 15.894 15.071 13.252 1217 2HB GLU 43 2HB GLU 43 15.058 16.023 12.041 1218 1HG GLU 43 1HG GLU 43 14.031 16.072 14.885 1219 2HG GLU 43 2HG GLU 43 15.474 16.987 14.499 1220 HA PRO 44 HA PRO 44 12.645 15.120 9.057 1221 1HB PRO 44 1HB PRO 44 14.122 13.617 7.317 1222 2HB PRO 44 2HB PRO 44 14.566 15.244 7.793 1223 1HG PRO 44 1HG PRO 44 15.748 12.674 8.652 1224 2HG PRO 44 2HG PRO 44 16.424 14.287 8.769 1225 1HD PRO 44 1HD PRO 44 15.260 12.755 10.896 1226 2HD PRO 44 2HD PRO 44 15.830 14.410 10.986 1227 H MET 45 H MET 45 10.660 14.237 9.749 1228 HA MET 45 HA MET 45 9.895 12.111 8.143 1229 1HB MET 45 1HB MET 45 11.336 11.024 10.103 1230 2HB MET 45 2HB MET 45 9.922 11.331 11.091 1231 1HG MET 45 1HG MET 45 8.623 9.744 9.986 1232 2HG MET 45 2HG MET 45 9.425 9.994 8.448 1233 1HE MET 45 1HE MET 45 9.696 6.342 9.355 1234 2HE MET 45 2HE MET 45 8.876 7.647 8.466 1235 3HE MET 45 3HE MET 45 10.468 7.065 7.923 1236 H LYS 46 H LYS 46 8.061 13.330 7.664 1237 HA LYS 46 HA LYS 46 6.614 14.859 9.412 1238 1HB LYS 46 1HB LYS 46 6.485 14.198 6.740 1239 2HB LYS 46 2HB LYS 46 5.003 13.498 7.358 1240 1HG LYS 46 1HG LYS 46 4.057 15.553 7.454 1241 2HG LYS 46 2HG LYS 46 5.279 16.072 8.598 1242 1HD LYS 46 1HD LYS 46 6.107 17.467 7.016 1243 2HD LYS 46 2HD LYS 46 6.596 16.065 6.084 1244 1HE LYS 46 1HE LYS 46 5.179 16.907 4.492 1245 2HE LYS 46 2HE LYS 46 3.924 16.149 5.451 1246 1HZ LYS 46 1HZ LYS 46 3.174 18.257 5.395 1247 2HZ LYS 46 2HZ LYS 46 4.102 18.401 6.731 1248 3HZ LYS 46 3HZ LYS 46 4.652 18.942 5.292 1249 H ALA 47 H ALA 47 5.768 11.481 8.353 1250 HA ALA 47 HA ALA 47 5.070 10.782 11.034 1251 1HB ALA 47 1HB ALA 47 2.981 11.586 9.037 1252 2HB ALA 47 2HB ALA 47 2.646 10.181 10.077 1253 3HB ALA 47 3HB ALA 47 2.995 11.766 10.808 1254 H PHE 48 H PHE 48 4.708 8.479 11.235 1255 HA PHE 48 HA PHE 48 5.246 7.010 8.755 1256 1HB PHE 48 1HB PHE 48 7.334 6.893 9.897 1257 2HB PHE 48 2HB PHE 48 6.588 7.070 11.473 1258 HD1 PHE 48 HD1 PHE 48 7.153 4.663 8.716 1259 HD2 PHE 48 HD2 PHE 48 6.070 5.181 12.786 1260 HE1 PHE 48 HE1 PHE 48 7.329 2.185 9.078 1261 HE2 PHE 48 HE2 PHE 48 6.246 2.703 13.148 1262 HZ PHE 48 HZ PHE 48 6.873 1.235 11.290 1263 H HIS 49 H HIS 49 3.594 5.629 8.337 1264 HA HIS 49 HA HIS 49 2.399 4.276 10.627 1265 1HB HIS 49 1HB HIS 49 0.165 4.639 9.817 1266 2HB HIS 49 2HB HIS 49 0.954 6.186 10.051 1267 HD1 HIS 49 HD1 HIS 49 0.919 7.780 8.103 1268 HD2 HIS 49 HD2 HIS 49 0.092 3.830 6.957 1269 HE1 HIS 49 HE1 HIS 49 0.265 7.873 5.638 1270 HE2 HIS 49 HE2 HIS 49 -0.179 5.411 4.977 1271 H TRP 50 H TRP 50 1.245 2.244 9.980 1272 HA TRP 50 HA TRP 50 2.136 1.247 7.375 1273 1HB TRP 50 1HB TRP 50 2.733 -0.913 8.481 1274 2HB TRP 50 2HB TRP 50 3.829 0.421 8.779 1275 HD1 TRP 50 HD1 TRP 50 2.685 1.840 11.276 1276 HE1 TRP 50 HE1 TRP 50 2.415 0.727 13.653 1277 HE3 TRP 50 HE3 TRP 50 2.642 -2.961 9.602 1278 HZ2 TRP 50 HZ2 TRP 50 2.218 -1.977 14.546 1279 HZ3 TRP 50 HZ3 TRP 50 2.407 -4.778 11.292 1280 HH2 TRP 50 HH2 TRP 50 2.200 -4.348 13.689 1281 H GLY 51 H GLY 51 0.939 -0.992 7.007 1282 1HA GLY 51 1HA GLY 51 -1.654 -1.088 8.356 1283 2HA GLY 51 2HA GLY 51 -1.653 -0.755 6.635 1284 H LYS 52 H LYS 52 -2.524 -3.169 8.375 1285 HA LYS 52 HA LYS 52 -0.932 -5.179 6.940 1286 1HB LYS 52 1HB LYS 52 -0.478 -5.722 9.114 1287 2HB LYS 52 2HB LYS 52 -1.980 -5.060 9.725 1288 1HG LYS 52 1HG LYS 52 -3.233 -6.981 9.124 1289 2HG LYS 52 2HG LYS 52 -2.062 -7.496 7.927 1290 1HD LYS 52 1HD LYS 52 -0.718 -8.546 9.482 1291 2HD LYS 52 2HD LYS 52 -1.005 -7.331 10.712 1292 1HE LYS 52 1HE LYS 52 -2.439 -8.779 11.713 1293 2HE LYS 52 2HE LYS 52 -3.526 -8.560 10.356 1294 1HZ LYS 52 1HZ LYS 52 -1.509 -10.643 10.721 1295 2HZ LYS 52 2HZ LYS 52 -3.108 -10.814 10.434 1296 3HZ LYS 52 3HZ LYS 52 -2.113 -10.311 9.241 1297 H ASP 53 H ASP 53 -2.048 -6.881 5.877 1298 HA ASP 53 HA ASP 53 -4.326 -6.151 4.600 1299 1HB ASP 53 1HB ASP 53 -4.509 -8.524 3.927 1300 2HB ASP 53 2HB ASP 53 -2.842 -7.988 3.867 1301 H VAL 54 H VAL 54 -6.077 -5.466 5.944 1302 HA VAL 54 HA VAL 54 -6.994 -7.382 7.960 1303 HB VAL 54 HB VAL 54 -8.388 -5.374 8.674 1304 1HG1 VAL 54 1HG1 VAL 54 -6.812 -4.931 10.231 1305 2HG1 VAL 54 2HG1 VAL 54 -5.912 -6.239 9.425 1306 3HG1 VAL 54 3HG1 VAL 54 -5.571 -4.541 9.016 1307 1HG2 VAL 54 1HG2 VAL 54 -7.956 -3.242 7.871 1308 2HG2 VAL 54 2HG2 VAL 54 -6.365 -3.693 7.215 1309 3HG2 VAL 54 3HG2 VAL 54 -7.850 -4.216 6.386 1310 H SER 55 H SER 55 -8.693 -8.667 7.477 1311 HA SER 55 HA SER 55 -11.047 -7.923 6.508 1312 1HB SER 55 1HB SER 55 -9.078 -8.090 4.293 1313 2HB SER 55 2HB SER 55 -10.539 -9.017 4.010 1314 HG SER 55 HG SER 55 -11.140 -6.525 5.060 1315 H ILE 56 H ILE 56 -8.819 -10.431 5.087 1316 HA ILE 56 HA ILE 56 -10.535 -12.453 6.351 1317 HB ILE 56 HB ILE 56 -8.810 -12.807 3.905 1318 1HG1 ILE 56 1HG1 ILE 56 -10.406 -11.094 3.348 1319 2HG1 ILE 56 2HG1 ILE 56 -10.892 -12.595 2.584 1320 1HG2 ILE 56 1HG2 ILE 56 -10.358 -14.579 5.574 1321 2HG2 ILE 56 2HG2 ILE 56 -11.009 -14.558 3.918 1322 3HG2 ILE 56 3HG2 ILE 56 -9.296 -14.952 4.196 1323 1HD1 ILE 56 1HD1 ILE 56 -12.321 -12.924 4.808 1324 2HD1 ILE 56 2HD1 ILE 56 -12.151 -11.155 4.918 1325 3HD1 ILE 56 3HD1 ILE 56 -12.925 -11.888 3.493 1326 H GLU 57 H GLU 57 -7.544 -10.859 6.508 1327 HA GLU 57 HA GLU 57 -5.593 -11.322 7.375 1328 1HB GLU 57 1HB GLU 57 -7.648 -12.218 9.225 1329 2HB GLU 57 2HB GLU 57 -6.206 -13.190 9.441 1330 1HG GLU 57 1HG GLU 57 -4.845 -11.055 9.576 1331 2HG GLU 57 2HG GLU 57 -6.336 -10.138 9.488 1332 H ASN 58 H ASN 58 -6.310 -13.020 5.116 1333 HA ASN 58 HA ASN 58 -4.295 -14.945 5.447 1334 1HB ASN 58 1HB ASN 58 -7.069 -15.771 5.965 1335 2HB ASN 58 2HB ASN 58 -6.418 -16.643 4.591 1336 1HD2 ASN 58 1HD2 ASN 58 -6.966 -18.207 6.540 1337 2HD2 ASN 58 2HD2 ASN 58 -5.596 -18.710 7.473 1338 H LEU 59 H LEU 59 -4.908 -16.674 3.295 1339 HA LEU 59 HA LEU 59 -5.220 -16.831 1.101 1340 1HB LEU 59 1HB LEU 59 -7.026 -14.763 1.796 1341 2HB LEU 59 2HB LEU 59 -6.187 -14.238 0.350 1342 HG LEU 59 HG LEU 59 -8.160 -15.342 -0.355 1343 1HD1 LEU 59 1HD1 LEU 59 -5.934 -17.367 -0.700 1344 2HD1 LEU 59 2HD1 LEU 59 -7.336 -17.101 -1.765 1345 3HD1 LEU 59 3HD1 LEU 59 -6.075 -15.851 -1.623 1346 1HD2 LEU 59 1HD2 LEU 59 -7.505 -17.254 1.814 1347 2HD2 LEU 59 2HD2 LEU 59 -9.077 -16.642 1.247 1348 3HD2 LEU 59 3HD2 LEU 59 -8.253 -17.940 0.352 1349 H HIS 60 H HIS 60 -4.187 -13.484 2.057 1350 HA HIS 60 HA HIS 60 -2.689 -12.739 0.020 1351 1HB HIS 60 1HB HIS 60 -1.263 -11.541 1.563 1352 2HB HIS 60 2HB HIS 60 -2.926 -11.494 2.114 1353 HD1 HIS 60 HD1 HIS 60 0.455 -12.908 2.991 1354 HD2 HIS 60 HD2 HIS 60 -3.438 -12.832 4.552 1355 HE1 HIS 60 HE1 HIS 60 0.628 -13.772 5.386 1356 HE2 HIS 60 HE2 HIS 60 -1.786 -13.651 6.311 1357 H GLN 61 H GLN 61 -0.599 -13.089 -0.865 1358 HA GLN 61 HA GLN 61 0.244 -15.770 -0.654 1359 1HB GLN 61 1HB GLN 61 0.833 -13.414 -2.331 1360 2HB GLN 61 2HB GLN 61 2.250 -14.401 -2.038 1361 1HG GLN 61 1HG GLN 61 0.931 -15.093 -4.083 1362 2HG GLN 61 2HG GLN 61 1.166 -16.386 -2.923 1363 1HE2 GLN 61 1HE2 GLN 61 -1.042 -14.571 -4.705 1364 2HE2 GLN 61 2HE2 GLN 61 -2.526 -15.128 -4.006 1365 H GLY 62 H GLY 62 1.063 -12.766 0.957 1366 1HA GLY 62 1HA GLY 62 2.329 -13.523 3.091 1367 2HA GLY 62 2HA GLY 62 3.607 -13.859 1.940 1368 H TYR 63 H TYR 63 1.178 -11.188 2.437 1369 HA TYR 63 HA TYR 63 3.232 -9.264 1.727 1370 1HB TYR 63 1HB TYR 63 0.224 -9.387 2.261 1371 2HB TYR 63 2HB TYR 63 1.008 -7.820 2.280 1372 HD1 TYR 63 HD1 TYR 63 2.111 -6.949 0.200 1373 HD2 TYR 63 HD2 TYR 63 -0.233 -10.528 0.200 1374 HE1 TYR 63 HE1 TYR 63 1.904 -6.822 -2.331 1375 HE2 TYR 63 HE2 TYR 63 -0.432 -10.389 -2.331 1376 HH TYR 63 HH TYR 63 0.183 -9.357 -4.128 1377 H THR 64 H THR 64 1.271 -10.326 4.544 1378 HA THR 64 HA THR 64 1.560 -9.985 6.727 1379 HB THR 64 HB THR 64 4.117 -8.427 6.267 1380 HG1 THR 64 HG1 THR 64 3.547 -11.280 5.862 1381 1HG2 THR 64 1HG2 THR 64 2.945 -9.709 8.482 1382 2HG2 THR 64 2HG2 THR 64 4.133 -10.895 7.890 1383 3HG2 THR 64 3HG2 THR 64 4.660 -9.255 8.337 1384 H HIS 65 H HIS 65 2.893 -6.993 5.154 1385 HA HIS 65 HA HIS 65 0.598 -5.506 5.707 1386 1HB HIS 65 1HB HIS 65 2.318 -4.112 7.436 1387 2HB HIS 65 2HB HIS 65 0.816 -4.922 7.833 1388 HD1 HIS 65 HD1 HIS 65 0.945 -7.119 9.155 1389 HD2 HIS 65 HD2 HIS 65 4.695 -5.657 7.973 1390 HE1 HIS 65 HE1 HIS 65 2.682 -8.515 10.400 1391 HE2 HIS 65 HE2 HIS 65 4.966 -7.606 9.591 1392 H ILE 66 H ILE 66 1.660 -2.924 5.916 1393 HA ILE 66 HA ILE 66 3.759 -2.779 3.907 1394 HB ILE 66 HB ILE 66 0.925 -1.954 3.527 1395 1HG1 ILE 66 1HG1 ILE 66 3.022 -2.804 1.517 1396 2HG1 ILE 66 2HG1 ILE 66 2.057 -3.948 2.429 1397 1HG2 ILE 66 1HG2 ILE 66 1.632 -0.276 1.827 1398 2HG2 ILE 66 2HG2 ILE 66 1.981 0.202 3.505 1399 3HG2 ILE 66 3HG2 ILE 66 3.292 -0.394 2.459 1400 1HD1 ILE 66 1HD1 ILE 66 0.780 -3.688 0.475 1401 2HD1 ILE 66 2HD1 ILE 66 0.006 -2.517 1.569 1402 3HD1 ILE 66 3HD1 ILE 66 1.161 -1.955 0.337 1403 H PHE 67 H PHE 67 4.825 -0.675 3.865 1404 HA PHE 67 HA PHE 67 4.184 0.939 6.229 1405 1HB PHE 67 1HB PHE 67 6.919 0.135 5.065 1406 2HB PHE 67 2HB PHE 67 6.700 1.168 6.464 1407 HD1 PHE 67 HD1 PHE 67 6.596 -2.263 5.225 1408 HD2 PHE 67 HD2 PHE 67 5.991 0.232 8.604 1409 HE1 PHE 67 HE1 PHE 67 6.625 -4.280 6.719 1410 HE2 PHE 67 HE2 PHE 67 6.020 -1.785 10.098 1411 HZ PHE 67 HZ PHE 67 6.337 -4.017 9.138 1412 H GLU 68 H GLU 68 3.644 2.975 5.619 1413 HA GLU 68 HA GLU 68 5.039 4.018 3.279 1414 1HB GLU 68 1HB GLU 68 2.624 3.462 2.820 1415 2HB GLU 68 2HB GLU 68 2.150 4.600 4.066 1416 1HG GLU 68 1HG GLU 68 4.050 5.738 2.087 1417 2HG GLU 68 2HG GLU 68 2.531 5.224 1.380 1418 H SER 69 H SER 69 5.861 6.126 3.448 1419 HA SER 69 HA SER 69 5.323 7.417 6.008 1420 1HB SER 69 1HB SER 69 7.582 6.540 6.083 1421 2HB SER 69 2HB SER 69 7.947 7.160 4.486 1422 HG SER 69 HG SER 69 7.952 9.282 5.272 1423 H THR 70 H THR 70 4.500 9.478 5.818 1424 HA THR 70 HA THR 70 4.240 10.596 3.177 1425 HB THR 70 HB THR 70 2.918 12.324 4.513 1426 HG1 THR 70 HG1 THR 70 4.374 11.832 6.440 1427 1HG2 THR 70 1HG2 THR 70 1.092 10.879 5.068 1428 2HG2 THR 70 2HG2 THR 70 1.940 10.003 3.771 1429 3HG2 THR 70 3HG2 THR 70 2.179 9.528 5.470 1430 H PHE 71 H PHE 71 5.543 12.008 2.196 1431 HA PHE 71 HA PHE 71 7.306 13.585 3.926 1432 1HB PHE 71 1HB PHE 71 7.830 11.669 1.658 1433 2HB PHE 71 2HB PHE 71 8.734 13.168 1.572 1434 HD1 PHE 71 HD1 PHE 71 10.289 13.774 3.432 1435 HD2 PHE 71 HD2 PHE 71 8.407 9.976 3.225 1436 HE1 PHE 71 HE1 PHE 71 11.974 12.851 5.047 1437 HE2 PHE 71 HE2 PHE 71 10.093 9.053 4.840 1438 HZ PHE 71 HZ PHE 71 11.856 10.502 5.732 1439 H GLU 72 H GLU 72 8.418 15.390 2.469 1440 HA GLU 72 HA GLU 72 6.524 16.287 0.467 1441 1HB GLU 72 1HB GLU 72 6.704 17.398 3.097 1442 2HB GLU 72 2HB GLU 72 7.425 18.570 2.011 1443 1HG GLU 72 1HG GLU 72 5.430 19.036 0.966 1444 2HG GLU 72 2HG GLU 72 4.913 17.362 0.976 1445 H SER 73 H SER 73 9.134 15.049 0.209 1446 HA SER 73 HA SER 73 10.292 16.859 -1.532 1447 1HB SER 73 1HB SER 73 11.227 18.131 0.223 1448 2HB SER 73 2HB SER 73 11.511 16.725 1.230 1449 HG SER 73 HG SER 73 13.082 17.800 -0.865 1450 H LYS 74 H LYS 74 10.590 15.214 -3.022 1451 HA LYS 74 HA LYS 74 11.113 12.586 -2.443 1452 1HB LYS 74 1HB LYS 74 11.597 12.326 -4.762 1453 2HB LYS 74 2HB LYS 74 10.346 13.545 -4.622 1454 1HG LYS 74 1HG LYS 74 12.033 15.349 -4.860 1455 2HG LYS 74 2HG LYS 74 13.324 14.165 -4.907 1456 1HD LYS 74 1HD LYS 74 11.031 14.188 -6.920 1457 2HD LYS 74 2HD LYS 74 12.534 15.050 -7.184 1458 1HE LYS 74 1HE LYS 74 13.156 12.339 -6.356 1459 2HE LYS 74 2HE LYS 74 11.988 12.271 -7.660 1460 1HZ LYS 74 1HZ LYS 74 13.431 13.754 -8.917 1461 2HZ LYS 74 2HZ LYS 74 14.534 13.735 -7.713 1462 3HZ LYS 74 3HZ LYS 74 14.191 12.362 -8.528 1463 H GLU 75 H GLU 75 13.340 15.367 -2.694 1464 HA GLU 75 HA GLU 75 15.665 13.823 -2.781 1465 1HB GLU 75 1HB GLU 75 15.064 16.701 -2.036 1466 2HB GLU 75 2HB GLU 75 16.689 16.063 -1.883 1467 1HG GLU 75 1HG GLU 75 16.277 15.210 -4.374 1468 2HG GLU 75 2HG GLU 75 15.032 16.443 -4.388 1469 H ALA 76 H ALA 76 13.595 15.053 -0.142 1470 HA ALA 76 HA ALA 76 15.447 14.539 1.933 1471 1HB ALA 76 1HB ALA 76 12.413 14.655 2.092 1472 2HB ALA 76 2HB ALA 76 13.586 15.013 3.382 1473 3HB ALA 76 3HB ALA 76 13.446 16.099 1.979 1474 H VAL 77 H VAL 77 12.972 12.631 0.195 1475 HA VAL 77 HA VAL 77 12.733 10.526 1.969 1476 HB VAL 77 HB VAL 77 12.457 10.860 -0.997 1477 1HG1 VAL 77 1HG1 VAL 77 11.342 8.457 -0.759 1478 2HG1 VAL 77 2HG1 VAL 77 13.068 8.653 -1.148 1479 3HG1 VAL 77 3HG1 VAL 77 12.568 8.282 0.519 1480 1HG2 VAL 77 1HG2 VAL 77 10.077 10.328 -0.452 1481 2HG2 VAL 77 2HG2 VAL 77 10.528 10.261 1.269 1482 3HG2 VAL 77 3HG2 VAL 77 10.691 11.786 0.364 1483 H ALA 78 H ALA 78 15.366 11.461 -0.204 1484 HA ALA 78 HA ALA 78 16.633 8.912 -0.182 1485 1HB ALA 78 1HB ALA 78 18.365 11.221 -0.666 1486 2HB ALA 78 2HB ALA 78 17.907 9.894 -1.761 1487 3HB ALA 78 3HB ALA 78 16.850 11.317 -1.596 1488 H GLU 79 H GLU 79 16.917 11.982 1.693 1489 HA GLU 79 HA GLU 79 19.174 11.267 3.102 1490 1HB GLU 79 1HB GLU 79 17.351 13.425 3.042 1491 2HB GLU 79 2HB GLU 79 17.301 12.854 4.698 1492 1HG GLU 79 1HG GLU 79 20.053 12.819 3.986 1493 2HG GLU 79 2HG GLU 79 19.427 14.312 3.314 1494 H TYR 80 H TYR 80 15.675 10.669 3.742 1495 HA TYR 80 HA TYR 80 16.060 9.535 6.293 1496 1HB TYR 80 1HB TYR 80 13.855 10.285 5.663 1497 2HB TYR 80 2HB TYR 80 13.990 9.602 4.055 1498 HD1 TYR 80 HD1 TYR 80 12.553 7.844 3.624 1499 HD2 TYR 80 HD2 TYR 80 14.110 8.299 7.583 1500 HE1 TYR 80 HE1 TYR 80 11.234 5.808 4.385 1501 HE2 TYR 80 HE2 TYR 80 12.786 6.261 8.330 1502 HH TYR 80 HH TYR 80 11.473 4.088 6.206 1503 H ILE 81 H ILE 81 15.852 8.155 2.960 1504 HA ILE 81 HA ILE 81 15.986 5.475 3.901 1505 HB ILE 81 HB ILE 81 16.213 6.795 1.209 1506 1HG1 ILE 81 1HG1 ILE 81 14.124 5.038 2.525 1507 2HG1 ILE 81 2HG1 ILE 81 13.986 6.746 2.156 1508 1HG2 ILE 81 1HG2 ILE 81 16.443 3.836 1.821 1509 2HG2 ILE 81 2HG2 ILE 81 16.236 4.548 0.203 1510 3HG2 ILE 81 3HG2 ILE 81 17.710 4.886 1.142 1511 1HD1 ILE 81 1HD1 ILE 81 12.828 5.516 0.412 1512 2HD1 ILE 81 2HD1 ILE 81 14.318 6.180 -0.299 1513 3HD1 ILE 81 3HD1 ILE 81 14.237 4.460 0.153 1514 H ALA 82 H ALA 82 18.290 8.044 3.259 1515 HA ALA 82 HA ALA 82 20.486 6.120 3.200 1516 1HB ALA 82 1HB ALA 82 20.568 9.143 2.887 1517 2HB ALA 82 2HB ALA 82 21.822 7.964 2.431 1518 3HB ALA 82 3HB ALA 82 20.287 8.024 1.531 1519 H HIS 83 H HIS 83 18.784 6.535 5.608 1520 HA HIS 83 HA HIS 83 20.601 7.997 7.343 1521 1HB HIS 83 1HB HIS 83 17.948 8.105 7.251 1522 2HB HIS 83 2HB HIS 83 18.074 6.714 8.310 1523 HD1 HIS 83 HD1 HIS 83 18.608 7.143 10.754 1524 HD2 HIS 83 HD2 HIS 83 19.199 10.520 8.337 1525 HE1 HIS 83 HE1 HIS 83 19.056 9.089 12.342 1526 HE2 HIS 83 HE2 HIS 83 19.465 11.125 10.798 1527 HA PRO 84 HA PRO 84 22.342 4.321 8.822 1528 1HB PRO 84 1HB PRO 84 23.436 5.195 11.168 1529 2HB PRO 84 2HB PRO 84 24.196 5.437 9.608 1530 1HG PRO 84 1HG PRO 84 22.768 7.397 11.298 1531 2HG PRO 84 2HG PRO 84 23.879 7.692 9.976 1532 1HD PRO 84 1HD PRO 84 21.021 7.914 9.896 1533 2HD PRO 84 2HD PRO 84 22.124 8.095 8.547 1534 H ALA 85 H ALA 85 20.368 6.108 11.104 1535 HA ALA 85 HA ALA 85 19.979 4.053 12.912 1536 1HB ALA 85 1HB ALA 85 19.250 6.638 12.757 1537 2HB ALA 85 2HB ALA 85 17.708 5.893 12.271 1538 3HB ALA 85 3HB ALA 85 18.439 5.484 13.841 1539 H HIS 86 H HIS 86 18.371 4.791 9.780 1540 HA HIS 86 HA HIS 86 16.426 2.750 10.127 1541 1HB HIS 86 1HB HIS 86 15.650 4.391 8.736 1542 2HB HIS 86 2HB HIS 86 17.215 4.681 8.001 1543 HD1 HIS 86 HD1 HIS 86 15.032 1.515 8.106 1544 HD2 HIS 86 HD2 HIS 86 16.944 4.052 5.366 1545 HE1 HIS 86 HE1 HIS 86 14.630 0.507 5.797 1546 HE2 HIS 86 HE2 HIS 86 15.781 2.138 4.151 1547 H VAL 87 H VAL 87 19.692 3.016 8.720 1548 HA VAL 87 HA VAL 87 19.572 0.565 7.310 1549 HB VAL 87 HB VAL 87 21.675 2.516 8.149 1550 1HG1 VAL 87 1HG1 VAL 87 22.278 -0.200 6.929 1551 2HG1 VAL 87 2HG1 VAL 87 23.443 1.123 7.178 1552 3HG1 VAL 87 3HG1 VAL 87 22.697 0.319 8.580 1553 1HG2 VAL 87 1HG2 VAL 87 20.747 1.382 5.491 1554 2HG2 VAL 87 2HG2 VAL 87 20.437 3.011 6.137 1555 3HG2 VAL 87 3HG2 VAL 87 22.091 2.534 5.684 1556 H GLU 88 H GLU 88 20.661 1.570 10.596 1557 HA GLU 88 HA GLU 88 21.826 -0.801 11.316 1558 1HB GLU 88 1HB GLU 88 21.659 1.526 12.535 1559 2HB GLU 88 2HB GLU 88 20.221 0.857 13.281 1560 1HG GLU 88 1HG GLU 88 21.790 -1.221 13.806 1561 2HG GLU 88 2HG GLU 88 23.091 -0.080 13.533 1562 H PHE 89 H PHE 89 18.378 0.262 11.552 1563 HA PHE 89 HA PHE 89 17.541 -2.133 12.817 1564 1HB PHE 89 1HB PHE 89 16.443 0.391 11.619 1565 2HB PHE 89 2HB PHE 89 15.334 -0.963 11.535 1566 HD1 PHE 89 HD1 PHE 89 17.554 0.745 14.005 1567 HD2 PHE 89 HD2 PHE 89 13.913 -1.323 13.317 1568 HE1 PHE 89 HE1 PHE 89 16.870 1.156 16.385 1569 HE2 PHE 89 HE2 PHE 89 13.229 -0.912 15.697 1570 HZ PHE 89 HZ PHE 89 14.716 0.323 17.203 1571 H ALA 90 H ALA 90 17.245 -0.831 9.437 1572 HA ALA 90 HA ALA 90 15.881 -2.978 8.368 1573 1HB ALA 90 1HB ALA 90 17.809 -0.925 7.258 1574 2HB ALA 90 2HB ALA 90 17.083 -2.169 6.212 1575 3HB ALA 90 3HB ALA 90 16.041 -1.012 7.075 1576 H THR 91 H THR 91 19.318 -2.569 9.212 1577 HA THR 91 HA THR 91 20.264 -4.780 7.721 1578 HB THR 91 HB THR 91 21.296 -3.211 10.137 1579 HG1 THR 91 HG1 THR 91 21.043 -2.212 7.953 1580 1HG2 THR 91 1HG2 THR 91 23.481 -4.193 9.710 1581 2HG2 THR 91 2HG2 THR 91 22.348 -5.552 9.906 1582 3HG2 THR 91 3HG2 THR 91 22.874 -5.058 8.278 1583 H ILE 92 H ILE 92 18.841 -4.413 10.981 1584 HA ILE 92 HA ILE 92 19.501 -7.094 11.714 1585 HB ILE 92 HB ILE 92 17.891 -4.863 12.899 1586 1HG1 ILE 92 1HG1 ILE 92 20.092 -6.426 14.223 1587 2HG1 ILE 92 2HG1 ILE 92 20.487 -5.215 13.020 1588 1HG2 ILE 92 1HG2 ILE 92 17.425 -6.359 14.848 1589 2HG2 ILE 92 2HG2 ILE 92 16.513 -6.758 13.373 1590 3HG2 ILE 92 3HG2 ILE 92 17.922 -7.740 13.840 1591 1HD1 ILE 92 1HD1 ILE 92 18.554 -3.974 14.676 1592 2HD1 ILE 92 2HD1 ILE 92 19.636 -4.847 15.786 1593 3HD1 ILE 92 3HD1 ILE 92 20.304 -3.652 14.649 1594 H PHE 93 H PHE 93 16.670 -5.354 10.347 1595 HA PHE 93 HA PHE 93 14.806 -7.368 10.606 1596 1HB PHE 93 1HB PHE 93 14.798 -4.850 9.693 1597 2HB PHE 93 2HB PHE 93 15.131 -5.588 8.139 1598 HD1 PHE 93 HD1 PHE 93 12.596 -4.340 10.094 1599 HD2 PHE 93 HD2 PHE 93 13.478 -7.714 7.677 1600 HE1 PHE 93 HE1 PHE 93 10.141 -4.740 9.758 1601 HE2 PHE 93 HE2 PHE 93 11.023 -8.114 7.340 1602 HZ PHE 93 HZ PHE 93 9.384 -6.623 8.385 1603 H LEU 94 H LEU 94 17.352 -6.849 8.114 1604 HA LEU 94 HA LEU 94 16.467 -8.733 6.284 1605 1HB LEU 94 1HB LEU 94 18.372 -8.284 5.191 1606 2HB LEU 94 2HB LEU 94 18.397 -6.926 6.298 1607 HG LEU 94 HG LEU 94 19.812 -8.561 7.811 1608 1HD1 LEU 94 1HD1 LEU 94 21.303 -9.984 6.360 1609 2HD1 LEU 94 2HD1 LEU 94 19.635 -10.571 6.558 1610 3HD1 LEU 94 3HD1 LEU 94 20.119 -9.758 5.050 1611 1HD2 LEU 94 1HD2 LEU 94 21.609 -7.304 7.258 1612 2HD2 LEU 94 2HD2 LEU 94 21.409 -7.578 5.511 1613 3HD2 LEU 94 3HD2 LEU 94 20.388 -6.383 6.347 1614 H GLY 95 H GLY 95 18.050 -9.075 9.431 1615 1HA GLY 95 1HA GLY 95 19.106 -11.647 9.159 1616 2HA GLY 95 2HA GLY 95 18.590 -10.883 10.650 1617 H SER 96 H SER 96 15.798 -10.542 9.144 1618 HA SER 96 HA SER 96 14.933 -13.253 9.021 1619 1HB SER 96 1HB SER 96 14.184 -11.456 11.346 1620 2HB SER 96 2HB SER 96 13.076 -12.699 10.798 1621 HG SER 96 HG SER 96 15.025 -14.198 11.016 1622 H LEU 97 H LEU 97 14.887 -11.699 6.893 1623 HA LEU 97 HA LEU 97 12.183 -10.551 6.815 1624 1HB LEU 97 1HB LEU 97 12.932 -8.722 5.815 1625 2HB LEU 97 2HB LEU 97 14.493 -9.180 6.467 1626 HG LEU 97 HG LEU 97 14.967 -10.373 4.297 1627 1HD1 LEU 97 1HD1 LEU 97 13.257 -8.981 2.552 1628 2HD1 LEU 97 2HD1 LEU 97 13.302 -10.731 2.876 1629 3HD1 LEU 97 3HD1 LEU 97 12.210 -9.681 3.810 1630 1HD2 LEU 97 1HD2 LEU 97 16.164 -8.487 4.185 1631 2HD2 LEU 97 2HD2 LEU 97 14.905 -7.929 3.058 1632 3HD2 LEU 97 3HD2 LEU 97 14.822 -7.480 4.779 1633 H ASP 98 H ASP 98 10.760 -11.530 5.469 1634 HA ASP 98 HA ASP 98 11.688 -13.783 4.021 1635 1HB ASP 98 1HB ASP 98 9.515 -13.905 5.090 1636 2HB ASP 98 2HB ASP 98 8.983 -12.418 4.331 1637 H LYS 99 H LYS 99 9.973 -10.661 3.225 1638 HA LYS 99 HA LYS 99 11.445 -10.499 0.747 1639 1HB LYS 99 1HB LYS 99 9.363 -10.230 -0.608 1640 2HB LYS 99 2HB LYS 99 9.651 -11.861 -0.036 1641 1HG LYS 99 1HG LYS 99 7.890 -11.790 1.507 1642 2HG LYS 99 2HG LYS 99 7.989 -10.053 1.710 1643 1HD LYS 99 1HD LYS 99 6.102 -10.083 0.389 1644 2HD LYS 99 2HD LYS 99 7.280 -10.106 -0.909 1645 1HE LYS 99 1HE LYS 99 7.115 -12.529 -1.129 1646 2HE LYS 99 2HE LYS 99 6.171 -12.659 0.342 1647 1HZ LYS 99 1HZ LYS 99 4.675 -12.724 -1.427 1648 2HZ LYS 99 2HZ LYS 99 4.509 -11.221 -0.812 1649 3HZ LYS 99 3HZ LYS 99 5.346 -11.448 -2.195 1650 H VAL 100 H VAL 100 11.360 -8.340 -0.181 1651 HA VAL 100 HA VAL 100 9.910 -6.339 1.306 1652 HB VAL 100 HB VAL 100 12.005 -5.039 1.736 1653 1HG1 VAL 100 1HG1 VAL 100 10.778 -6.273 3.507 1654 2HG1 VAL 100 2HG1 VAL 100 11.816 -7.688 3.209 1655 3HG1 VAL 100 3HG1 VAL 100 12.528 -6.175 3.820 1656 1HG2 VAL 100 1HG2 VAL 100 13.293 -7.681 0.998 1657 2HG2 VAL 100 2HG2 VAL 100 13.593 -6.074 0.293 1658 3HG2 VAL 100 3HG2 VAL 100 14.114 -6.428 1.958 1659 H LEU 101 H LEU 101 8.952 -5.250 -0.329 1660 HA LEU 101 HA LEU 101 10.659 -4.549 -2.608 1661 1HB LEU 101 1HB LEU 101 7.762 -5.360 -2.831 1662 2HB LEU 101 2HB LEU 101 8.862 -4.964 -4.136 1663 HG LEU 101 HG LEU 101 8.613 -7.319 -4.130 1664 1HD1 LEU 101 1HD1 LEU 101 11.176 -7.453 -2.727 1665 2HD1 LEU 101 2HD1 LEU 101 10.776 -7.775 -4.431 1666 3HD1 LEU 101 3HD1 LEU 101 11.079 -6.107 -3.888 1667 1HD2 LEU 101 1HD2 LEU 101 9.642 -8.130 -1.582 1668 2HD2 LEU 101 2HD2 LEU 101 8.272 -7.021 -1.335 1669 3HD2 LEU 101 3HD2 LEU 101 8.065 -8.484 -2.327 1670 H VAL 102 H VAL 102 10.622 -2.409 -3.151 1671 HA VAL 102 HA VAL 102 8.732 -0.766 -1.626 1672 HB VAL 102 HB VAL 102 11.107 -0.414 -1.173 1673 1HG1 VAL 102 1HG1 VAL 102 11.804 0.903 -3.679 1674 2HG1 VAL 102 2HG1 VAL 102 12.695 -0.324 -2.747 1675 3HG1 VAL 102 3HG1 VAL 102 11.448 -0.826 -3.913 1676 1HG2 VAL 102 1HG2 VAL 102 9.449 1.466 -1.081 1677 2HG2 VAL 102 2HG2 VAL 102 11.127 1.984 -1.371 1678 3HG2 VAL 102 3HG2 VAL 102 9.966 1.935 -2.718 1679 H ILE 103 H ILE 103 7.144 0.324 -2.685 1680 HA ILE 103 HA ILE 103 7.528 0.853 -5.524 1681 HB ILE 103 HB ILE 103 5.122 -0.581 -4.393 1682 1HG1 ILE 103 1HG1 ILE 103 7.220 -1.956 -4.648 1683 2HG1 ILE 103 2HG1 ILE 103 5.828 -2.519 -5.552 1684 1HG2 ILE 103 1HG2 ILE 103 4.922 -0.715 -7.116 1685 2HG2 ILE 103 2HG2 ILE 103 4.062 0.447 -6.078 1686 3HG2 ILE 103 3HG2 ILE 103 5.578 0.922 -6.880 1687 1HD1 ILE 103 1HD1 ILE 103 8.088 -2.443 -6.806 1688 2HD1 ILE 103 2HD1 ILE 103 6.691 -1.706 -7.628 1689 3HD1 ILE 103 3HD1 ILE 103 7.891 -0.674 -6.814 1690 H ASP 104 H ASP 104 6.383 2.697 -6.274 1691 HA ASP 104 HA ASP 104 5.490 4.349 -4.068 1692 1HB ASP 104 1HB ASP 104 7.269 5.205 -5.618 1693 2HB ASP 104 2HB ASP 104 6.158 5.058 -6.965 1694 H TYR 105 H TYR 105 3.350 5.253 -4.071 1695 HA TYR 105 HA TYR 105 1.613 4.296 -6.248 1696 1HB TYR 105 1HB TYR 105 0.835 3.173 -4.305 1697 2HB TYR 105 2HB TYR 105 1.519 4.376 -3.229 1698 HD1 TYR 105 HD1 TYR 105 -0.950 4.747 -6.029 1699 HD2 TYR 105 HD2 TYR 105 -0.204 5.088 -1.830 1700 HE1 TYR 105 HE1 TYR 105 -3.255 5.767 -5.694 1701 HE2 TYR 105 HE2 TYR 105 -2.511 6.106 -1.509 1702 HH TYR 105 HH TYR 105 -4.128 7.361 -2.883 1703 H LYS 106 H LYS 106 0.507 5.829 -7.377 1704 HA LYS 106 HA LYS 106 0.287 8.474 -6.124 1705 1HB LYS 106 1HB LYS 106 1.531 7.701 -8.699 1706 2HB LYS 106 2HB LYS 106 0.452 9.079 -8.774 1707 1HG LYS 106 1HG LYS 106 1.692 10.154 -6.884 1708 2HG LYS 106 2HG LYS 106 2.769 8.775 -6.804 1709 1HD LYS 106 1HD LYS 106 4.077 9.719 -8.394 1710 2HD LYS 106 2HD LYS 106 2.756 9.597 -9.539 1711 1HE LYS 106 1HE LYS 106 3.077 11.908 -7.567 1712 2HE LYS 106 2HE LYS 106 3.656 11.955 -9.220 1713 1HZ LYS 106 1HZ LYS 106 1.026 12.274 -8.258 1714 2HZ LYS 106 2HZ LYS 106 1.633 12.621 -9.734 1715 3HZ LYS 106 3HZ LYS 106 1.079 11.119 -9.411 1716 HA PRO 107 HA PRO 107 -3.889 7.693 -7.066 1717 1HB PRO 107 1HB PRO 107 -4.941 9.960 -5.961 1718 2HB PRO 107 2HB PRO 107 -4.584 8.518 -5.032 1719 1HG PRO 107 1HG PRO 107 -3.098 11.072 -5.134 1720 2HG PRO 107 2HG PRO 107 -3.018 9.803 -3.929 1721 1HD PRO 107 1HD PRO 107 -1.105 10.325 -6.001 1722 2HD PRO 107 2HD PRO 107 -1.085 8.988 -4.869 1723 H THR 108 H THR 108 -3.780 7.646 -9.316 1724 HA THR 108 HA THR 108 -4.307 10.304 -10.474 1725 HB THR 108 HB THR 108 -2.682 7.903 -11.394 1726 HG1 THR 108 HG1 THR 108 -1.316 9.515 -10.703 1727 1HG2 THR 108 1HG2 THR 108 -3.249 8.268 -13.576 1728 2HG2 THR 108 2HG2 THR 108 -4.405 9.529 -13.085 1729 3HG2 THR 108 3HG2 THR 108 -2.705 9.954 -13.397 1730 H SER 109 H SER 109 -6.457 10.517 -10.703 1731 HA SER 109 HA SER 109 -7.857 8.166 -11.701 1732 1HB SER 109 1HB SER 109 -9.842 9.930 -10.965 1733 2HB SER 109 2HB SER 109 -9.208 8.658 -9.940 1734 HG SER 109 HG SER 109 -9.063 10.547 -8.734 1735 H VAL 110 H VAL 110 -9.673 8.636 -13.304 1736 HA VAL 110 HA VAL 110 -8.710 10.620 -15.205 1737 HB VAL 110 HB VAL 110 -10.621 8.289 -15.386 1738 1HG1 VAL 110 1HG1 VAL 110 -11.595 9.700 -16.936 1739 2HG1 VAL 110 2HG1 VAL 110 -10.061 10.515 -17.324 1740 3HG1 VAL 110 3HG1 VAL 110 -10.379 8.875 -17.939 1741 1HG2 VAL 110 1HG2 VAL 110 -7.873 8.801 -16.574 1742 2HG2 VAL 110 2HG2 VAL 110 -8.286 7.634 -15.295 1743 3HG2 VAL 110 3HG2 VAL 110 -8.904 7.399 -16.948 1744 H SER 111 H SER 111 -10.015 12.309 -16.021 1745 HA SER 111 HA SER 111 -11.853 13.301 -14.145 1746 1HB SER 111 1HB SER 111 -12.104 14.630 -16.701 1747 2HB SER 111 2HB SER 111 -11.386 15.231 -15.220 1748 HG SER 111 HG SER 111 -9.536 15.126 -16.289 1749 H LEU 112 H LEU 112 -14.008 12.811 -13.961 1750 HA LEU 112 HA LEU 112 -15.234 11.318 -16.126 1751 1HB LEU 112 1HB LEU 112 -16.393 11.992 -13.426 1752 2HB LEU 112 2HB LEU 112 -16.928 10.758 -14.549 1753 HG LEU 112 HG LEU 112 -14.124 10.528 -13.582 1754 1HD1 LEU 112 1HD1 LEU 112 -14.666 9.661 -11.435 1755 2HD1 LEU 112 2HD1 LEU 112 -15.454 11.252 -11.571 1756 3HD1 LEU 112 3HD1 LEU 112 -16.413 9.764 -11.758 1757 1HD2 LEU 112 1HD2 LEU 112 -16.362 8.724 -14.409 1758 2HD2 LEU 112 2HD2 LEU 112 -14.658 8.751 -14.923 1759 3HD2 LEU 112 3HD2 LEU 112 -15.096 8.088 -13.330 Start of MODEL 19 1 1H GLY 1 1H GLY 1 2.794 6.268 24.953 2 1HA GLY 1 1HA GLY 1 0.848 4.513 26.302 3 2HA GLY 1 2HA GLY 1 1.940 5.644 27.075 4 H SER 2 H SER 2 -0.800 5.531 24.697 5 HA SER 2 HA SER 2 -2.048 7.659 26.122 6 1HB SER 2 1HB SER 2 -1.111 8.062 23.248 7 2HB SER 2 2HB SER 2 -2.307 9.080 24.024 8 HG SER 2 HG SER 2 0.402 9.234 24.186 9 H HIS 3 H HIS 3 -4.295 8.119 25.126 10 HA HIS 3 HA HIS 3 -5.467 5.614 24.485 11 1HB HIS 3 1HB HIS 3 -7.557 6.763 24.640 12 2HB HIS 3 2HB HIS 3 -6.522 7.324 25.939 13 HD1 HIS 3 HD1 HIS 3 -5.823 9.811 25.945 14 HD2 HIS 3 HD2 HIS 3 -8.084 8.696 22.592 15 HE1 HIS 3 HE1 HIS 3 -6.487 11.980 24.776 16 HE2 HIS 3 HE2 HIS 3 -7.827 11.229 22.695 17 H MET 4 H MET 4 -6.821 5.188 22.556 18 HA MET 4 HA MET 4 -5.515 6.333 20.238 19 1HB MET 4 1HB MET 4 -6.916 3.775 20.944 20 2HB MET 4 2HB MET 4 -7.202 4.332 19.307 21 1HG MET 4 1HG MET 4 -5.059 3.860 18.638 22 2HG MET 4 2HG MET 4 -4.353 4.524 20.098 23 1HE MET 4 1HE MET 4 -2.669 1.479 20.745 24 2HE MET 4 2HE MET 4 -2.767 3.249 20.582 25 3HE MET 4 3HE MET 4 -3.285 2.464 22.093 26 H GLU 5 H GLU 5 -6.543 7.709 18.825 27 HA GLU 5 HA GLU 5 -8.973 8.817 19.570 28 1HB GLU 5 1HB GLU 5 -6.918 9.457 17.813 29 2HB GLU 5 2HB GLU 5 -8.241 9.119 16.715 30 1HG GLU 5 1HG GLU 5 -9.560 10.634 18.583 31 2HG GLU 5 2HG GLU 5 -7.953 11.319 18.723 32 H GLU 6 H GLU 6 -11.048 8.827 18.358 33 HA GLU 6 HA GLU 6 -11.551 6.162 17.335 34 1HB GLU 6 1HB GLU 6 -13.267 8.318 18.575 35 2HB GLU 6 2HB GLU 6 -14.026 7.107 17.562 36 1HG GLU 6 1HG GLU 6 -14.082 5.777 19.404 37 2HG GLU 6 2HG GLU 6 -12.355 5.569 19.191 38 H ALA 7 H ALA 7 -11.622 5.859 15.155 39 HA ALA 7 HA ALA 7 -12.939 7.824 13.511 40 1HB ALA 7 1HB ALA 7 -10.299 7.167 12.390 41 2HB ALA 7 2HB ALA 7 -11.133 8.736 12.502 42 3HB ALA 7 3HB ALA 7 -10.204 8.121 13.890 43 H LYS 8 H LYS 8 -13.916 6.835 11.760 44 HA LYS 8 HA LYS 8 -13.162 4.028 11.327 45 1HB LYS 8 1HB LYS 8 -15.892 5.298 11.548 46 2HB LYS 8 2HB LYS 8 -15.654 3.788 10.691 47 1HG LYS 8 1HG LYS 8 -14.538 2.845 12.764 48 2HG LYS 8 2HG LYS 8 -14.923 4.332 13.607 49 1HD LYS 8 1HD LYS 8 -17.106 2.742 12.214 50 2HD LYS 8 2HD LYS 8 -16.566 2.291 13.819 51 1HE LYS 8 1HE LYS 8 -17.859 3.919 14.724 52 2HE LYS 8 2HE LYS 8 -16.960 5.138 13.843 53 1HZ LYS 8 1HZ LYS 8 -18.426 4.475 11.908 54 2HZ LYS 8 2HZ LYS 8 -19.383 3.736 13.006 55 3HZ LYS 8 3HZ LYS 8 -19.119 5.345 13.104 56 H GLY 9 H GLY 9 -11.804 6.022 9.972 57 1HA GLY 9 1HA GLY 9 -11.554 5.494 7.487 58 2HA GLY 9 2HA GLY 9 -13.153 6.197 7.355 59 HA PRO 10 HA PRO 10 -12.349 6.754 5.532 60 1HB PRO 10 1HB PRO 10 -10.802 7.695 3.485 61 2HB PRO 10 2HB PRO 10 -12.347 8.398 3.920 62 1HG PRO 10 1HG PRO 10 -9.627 9.432 4.441 63 2HG PRO 10 2HG PRO 10 -11.154 10.292 4.478 64 1HD PRO 10 1HD PRO 10 -9.633 9.396 6.739 65 2HD PRO 10 2HD PRO 10 -11.214 10.151 6.772 66 H VAL 11 H VAL 11 -11.822 4.768 4.676 67 HA VAL 11 HA VAL 11 -9.193 3.895 5.580 68 HB VAL 11 HB VAL 11 -11.797 2.591 4.904 69 1HG1 VAL 11 1HG1 VAL 11 -10.592 1.109 3.629 70 2HG1 VAL 11 2HG1 VAL 11 -9.082 1.388 4.529 71 3HG1 VAL 11 3HG1 VAL 11 -10.366 0.379 5.237 72 1HG2 VAL 11 1HG2 VAL 11 -10.813 3.331 7.254 73 2HG2 VAL 11 2HG2 VAL 11 -11.752 1.830 7.071 74 3HG2 VAL 11 3HG2 VAL 11 -9.975 1.765 7.132 75 H LYS 12 H LYS 12 -7.589 3.136 4.193 76 HA LYS 12 HA LYS 12 -8.148 3.613 1.350 77 1HB LYS 12 1HB LYS 12 -5.984 4.435 3.112 78 2HB LYS 12 2HB LYS 12 -5.370 3.540 1.736 79 1HG LYS 12 1HG LYS 12 -5.467 5.725 0.877 80 2HG LYS 12 2HG LYS 12 -6.984 5.055 0.311 81 1HD LYS 12 1HD LYS 12 -8.175 6.578 1.499 82 2HD LYS 12 2HD LYS 12 -7.362 6.131 2.985 83 1HE LYS 12 1HE LYS 12 -5.682 7.769 2.728 84 2HE LYS 12 2HE LYS 12 -5.875 7.848 0.988 85 1HZ LYS 12 1HZ LYS 12 -6.895 9.628 2.603 86 2HZ LYS 12 2HZ LYS 12 -7.599 9.251 1.179 87 3HZ LYS 12 3HZ LYS 12 -8.168 8.605 2.567 88 H HIS 13 H HIS 13 -8.679 1.706 0.403 89 HA HIS 13 HA HIS 13 -7.424 -0.705 1.383 90 1HB HIS 13 1HB HIS 13 -9.596 -1.232 1.023 91 2HB HIS 13 2HB HIS 13 -9.816 -0.005 -0.209 92 HD1 HIS 13 HD1 HIS 13 -9.797 -3.545 0.127 93 HD2 HIS 13 HD2 HIS 13 -8.269 -0.887 -2.736 94 HE1 HIS 13 HE1 HIS 13 -9.450 -4.909 -2.001 95 HE2 HIS 13 HE2 HIS 13 -8.561 -3.210 -3.740 96 H VAL 14 H VAL 14 -5.882 -1.909 0.289 97 HA VAL 14 HA VAL 14 -5.059 -0.838 -2.319 98 HB VAL 14 HB VAL 14 -3.336 -1.669 0.021 99 1HG1 VAL 14 1HG1 VAL 14 -2.451 -0.868 -2.772 100 2HG1 VAL 14 2HG1 VAL 14 -1.397 -1.266 -1.394 101 3HG1 VAL 14 3HG1 VAL 14 -2.426 -2.524 -2.120 102 1HG2 VAL 14 1HG2 VAL 14 -2.957 0.516 0.422 103 2HG2 VAL 14 2HG2 VAL 14 -2.889 0.927 -1.309 104 3HG2 VAL 14 3HG2 VAL 14 -4.463 0.775 -0.491 105 H LEU 15 H LEU 15 -4.814 -2.353 -3.916 106 HA LEU 15 HA LEU 15 -4.694 -5.151 -3.065 107 1HB LEU 15 1HB LEU 15 -7.005 -4.749 -3.514 108 2HB LEU 15 2HB LEU 15 -6.639 -3.931 -5.020 109 HG LEU 15 HG LEU 15 -5.622 -6.690 -4.906 110 1HD1 LEU 15 1HD1 LEU 15 -8.500 -6.109 -4.355 111 2HD1 LEU 15 2HD1 LEU 15 -8.097 -7.457 -5.446 112 3HD1 LEU 15 3HD1 LEU 15 -7.464 -7.439 -3.782 113 1HD2 LEU 15 1HD2 LEU 15 -7.127 -6.590 -7.111 114 2HD2 LEU 15 2HD2 LEU 15 -6.922 -4.842 -6.843 115 3HD2 LEU 15 3HD2 LEU 15 -5.494 -5.889 -7.026 116 H LEU 16 H LEU 16 -3.299 -6.416 -4.263 117 HA LEU 16 HA LEU 16 -2.048 -5.057 -6.548 118 1HB LEU 16 1HB LEU 16 -0.542 -7.042 -4.912 119 2HB LEU 16 2HB LEU 16 0.046 -5.708 -5.885 120 HG LEU 16 HG LEU 16 -1.141 -4.228 -4.052 121 1HD1 LEU 16 1HD1 LEU 16 -2.106 -5.392 -2.419 122 2HD1 LEU 16 2HD1 LEU 16 -1.334 -6.911 -2.936 123 3HD1 LEU 16 3HD1 LEU 16 -0.464 -5.791 -1.861 124 1HD2 LEU 16 1HD2 LEU 16 1.519 -5.637 -3.767 125 2HD2 LEU 16 2HD2 LEU 16 1.185 -4.030 -4.458 126 3HD2 LEU 16 3HD2 LEU 16 0.999 -4.304 -2.709 127 H ALA 17 H ALA 17 -1.836 -6.223 -8.441 128 HA ALA 17 HA ALA 17 -2.260 -9.075 -8.384 129 1HB ALA 17 1HB ALA 17 -4.366 -7.133 -9.143 130 2HB ALA 17 2HB ALA 17 -4.072 -8.421 -10.336 131 3HB ALA 17 3HB ALA 17 -4.503 -8.841 -8.661 132 H SER 18 H SER 18 -1.722 -10.062 -10.485 133 HA SER 18 HA SER 18 -0.273 -8.191 -12.187 134 1HB SER 18 1HB SER 18 1.084 -9.829 -10.596 135 2HB SER 18 2HB SER 18 0.683 -11.034 -11.805 136 HG SER 18 HG SER 18 2.484 -8.888 -11.939 137 H PHE 19 H PHE 19 -0.363 -8.640 -14.462 138 HA PHE 19 HA PHE 19 -2.584 -10.352 -15.177 139 1HB PHE 19 1HB PHE 19 -0.749 -8.338 -16.596 140 2HB PHE 19 2HB PHE 19 -1.971 -9.236 -17.473 141 HD1 PHE 19 HD1 PHE 19 -1.398 -6.623 -14.964 142 HD2 PHE 19 HD2 PHE 19 -4.312 -8.701 -17.243 143 HE1 PHE 19 HE1 PHE 19 -3.105 -4.881 -14.369 144 HE2 PHE 19 HE2 PHE 19 -6.019 -6.960 -16.648 145 HZ PHE 19 HZ PHE 19 -5.395 -5.071 -15.218 146 H LYS 20 H LYS 20 -2.232 -12.467 -15.649 147 HA LYS 20 HA LYS 20 0.412 -13.191 -16.662 148 1HB LYS 20 1HB LYS 20 -1.329 -14.329 -14.729 149 2HB LYS 20 2HB LYS 20 -1.277 -15.448 -16.076 150 1HG LYS 20 1HG LYS 20 1.183 -15.498 -16.014 151 2HG LYS 20 2HG LYS 20 1.218 -14.240 -14.795 152 1HD LYS 20 1HD LYS 20 1.534 -16.532 -13.825 153 2HD LYS 20 2HD LYS 20 0.146 -15.701 -13.151 154 1HE LYS 20 1HE LYS 20 -1.405 -17.058 -14.296 155 2HE LYS 20 2HE LYS 20 -0.275 -17.458 -15.575 156 1HZ LYS 20 1HZ LYS 20 -0.750 -19.204 -13.845 157 2HZ LYS 20 2HZ LYS 20 0.822 -18.946 -14.204 158 3HZ LYS 20 3HZ LYS 20 0.189 -18.342 -12.825 159 H ASP 21 H ASP 21 -0.517 -15.699 -17.850 160 HA ASP 21 HA ASP 21 -1.185 -16.489 -19.754 161 1HB ASP 21 1HB ASP 21 -3.198 -14.201 -19.609 162 2HB ASP 21 2HB ASP 21 -3.232 -15.407 -20.880 163 H GLY 22 H GLY 22 -1.495 -15.825 -22.256 164 1HA GLY 22 1HA GLY 22 0.627 -13.942 -22.866 165 2HA GLY 22 2HA GLY 22 -0.197 -15.026 -23.968 166 H VAL 23 H VAL 23 -1.939 -12.879 -21.697 167 HA VAL 23 HA VAL 23 -3.385 -11.736 -23.875 168 HB VAL 23 HB VAL 23 -3.959 -12.293 -21.314 169 1HG1 VAL 23 1HG1 VAL 23 -4.111 -10.308 -19.960 170 2HG1 VAL 23 2HG1 VAL 23 -2.427 -10.480 -20.509 171 3HG1 VAL 23 3HG1 VAL 23 -3.500 -9.293 -21.289 172 1HG2 VAL 23 1HG2 VAL 23 -6.030 -11.199 -21.651 173 2HG2 VAL 23 2HG2 VAL 23 -5.301 -9.967 -22.709 174 3HG2 VAL 23 3HG2 VAL 23 -5.461 -11.646 -23.278 175 H SER 24 H SER 24 -2.752 -10.044 -25.101 176 HA SER 24 HA SER 24 -0.420 -8.796 -24.950 177 1HB SER 24 1HB SER 24 -3.112 -7.981 -26.001 178 2HB SER 24 2HB SER 24 -1.877 -6.739 -25.943 179 HG SER 24 HG SER 24 -1.199 -7.580 -27.789 180 HA PRO 25 HA PRO 25 -0.518 -5.968 -21.644 181 1HB PRO 25 1HB PRO 25 1.070 -3.924 -22.519 182 2HB PRO 25 2HB PRO 25 1.707 -5.434 -21.898 183 1HG PRO 25 1HG PRO 25 1.554 -4.500 -24.698 184 2HG PRO 25 2HG PRO 25 2.544 -5.777 -24.019 185 1HD PRO 25 1HD PRO 25 0.148 -6.101 -25.562 186 2HD PRO 25 2HD PRO 25 1.074 -7.369 -24.786 187 H GLU 26 H GLU 26 -1.287 -4.565 -24.747 188 HA GLU 26 HA GLU 26 -2.346 -2.218 -23.804 189 1HB GLU 26 1HB GLU 26 -1.939 -3.217 -26.256 190 2HB GLU 26 2HB GLU 26 -3.642 -3.611 -26.141 191 1HG GLU 26 1HG GLU 26 -4.074 -1.177 -25.484 192 2HG GLU 26 2HG GLU 26 -2.390 -0.843 -25.839 193 H LYS 27 H LYS 27 -3.592 -5.517 -23.693 194 HA LYS 27 HA LYS 27 -6.315 -4.850 -23.371 195 1HB LYS 27 1HB LYS 27 -5.329 -7.078 -24.075 196 2HB LYS 27 2HB LYS 27 -4.898 -7.342 -22.397 197 1HG LYS 27 1HG LYS 27 -7.081 -7.695 -21.743 198 2HG LYS 27 2HG LYS 27 -7.717 -6.470 -22.823 199 1HD LYS 27 1HD LYS 27 -6.767 -8.400 -24.604 200 2HD LYS 27 2HD LYS 27 -7.362 -9.376 -23.275 201 1HE LYS 27 1HE LYS 27 -9.567 -8.770 -23.626 202 2HE LYS 27 2HE LYS 27 -9.158 -7.133 -24.098 203 1HZ LYS 27 1HZ LYS 27 -8.183 -9.028 -25.954 204 2HZ LYS 27 2HZ LYS 27 -9.800 -9.161 -25.768 205 3HZ LYS 27 3HZ LYS 27 -9.144 -7.732 -26.208 206 H ILE 28 H ILE 28 -3.491 -4.930 -21.230 207 HA ILE 28 HA ILE 28 -4.925 -5.026 -18.810 208 HB ILE 28 HB ILE 28 -2.181 -3.922 -19.424 209 1HG1 ILE 28 1HG1 ILE 28 -2.688 -6.640 -18.262 210 2HG1 ILE 28 2HG1 ILE 28 -2.866 -6.413 -19.990 211 1HG2 ILE 28 1HG2 ILE 28 -2.162 -4.922 -16.850 212 2HG2 ILE 28 2HG2 ILE 28 -2.244 -3.205 -17.313 213 3HG2 ILE 28 3HG2 ILE 28 -3.739 -4.103 -16.957 214 1HD1 ILE 28 1HD1 ILE 28 -0.599 -6.944 -19.867 215 2HD1 ILE 28 2HD1 ILE 28 -0.513 -5.169 -19.758 216 3HD1 ILE 28 3HD1 ILE 28 -0.395 -6.158 -18.283 217 H GLU 29 H GLU 29 -3.542 -2.286 -20.744 218 HA GLU 29 HA GLU 29 -4.528 -0.351 -18.986 219 1HB GLU 29 1HB GLU 29 -3.577 1.187 -20.444 220 2HB GLU 29 2HB GLU 29 -2.684 -0.253 -20.889 221 1HG GLU 29 1HG GLU 29 -3.355 0.375 -23.009 222 2HG GLU 29 2HG GLU 29 -4.762 -0.578 -22.581 223 H GLU 30 H GLU 30 -5.929 -2.171 -21.673 224 HA GLU 30 HA GLU 30 -8.009 -0.365 -22.201 225 1HB GLU 30 1HB GLU 30 -7.411 -3.240 -22.878 226 2HB GLU 30 2HB GLU 30 -9.040 -2.652 -23.144 227 1HG GLU 30 1HG GLU 30 -7.485 -0.591 -24.205 228 2HG GLU 30 2HG GLU 30 -6.545 -2.013 -24.610 229 H LEU 31 H LEU 31 -7.527 -3.058 -19.907 230 HA LEU 31 HA LEU 31 -10.275 -3.204 -19.169 231 1HB LEU 31 1HB LEU 31 -7.713 -4.448 -18.346 232 2HB LEU 31 2HB LEU 31 -8.979 -4.394 -17.135 233 HG LEU 31 HG LEU 31 -10.178 -5.319 -19.545 234 1HD1 LEU 31 1HD1 LEU 31 -8.451 -6.243 -20.640 235 2HD1 LEU 31 2HD1 LEU 31 -7.393 -6.223 -19.209 236 3HD1 LEU 31 3HD1 LEU 31 -8.587 -7.527 -19.415 237 1HD2 LEU 31 1HD2 LEU 31 -10.006 -7.520 -17.948 238 2HD2 LEU 31 2HD2 LEU 31 -9.755 -6.211 -16.769 239 3HD2 LEU 31 3HD2 LEU 31 -11.220 -6.229 -17.780 240 H ILE 32 H ILE 32 -7.316 -1.578 -17.916 241 HA ILE 32 HA ILE 32 -8.455 -0.640 -15.553 242 HB ILE 32 HB ILE 32 -6.134 0.161 -17.266 243 1HG1 ILE 32 1HG1 ILE 32 -6.468 -1.037 -14.506 244 2HG1 ILE 32 2HG1 ILE 32 -5.820 -1.810 -15.939 245 1HG2 ILE 32 1HG2 ILE 32 -7.003 1.610 -14.749 246 2HG2 ILE 32 2HG2 ILE 32 -5.489 1.866 -15.650 247 3HG2 ILE 32 3HG2 ILE 32 -7.052 2.267 -16.403 248 1HD1 ILE 32 1HD1 ILE 32 -4.045 0.123 -15.924 249 2HD1 ILE 32 2HD1 ILE 32 -4.567 0.365 -14.239 250 3HD1 ILE 32 3HD1 ILE 32 -3.878 -1.197 -14.741 251 H LYS 33 H LYS 33 -8.272 0.792 -18.868 252 HA LYS 33 HA LYS 33 -9.416 3.230 -18.252 253 1HB LYS 33 1HB LYS 33 -9.284 3.588 -20.469 254 2HB LYS 33 2HB LYS 33 -8.384 2.085 -20.477 255 1HG LYS 33 1HG LYS 33 -10.690 0.904 -20.766 256 2HG LYS 33 2HG LYS 33 -11.329 2.495 -21.130 257 1HD LYS 33 1HD LYS 33 -8.959 2.260 -22.691 258 2HD LYS 33 2HD LYS 33 -9.763 0.709 -22.832 259 1HE LYS 33 1HE LYS 33 -11.926 2.004 -23.356 260 2HE LYS 33 2HE LYS 33 -10.944 3.452 -23.459 261 1HZ LYS 33 1HZ LYS 33 -9.619 1.675 -24.989 262 2HZ LYS 33 2HZ LYS 33 -11.180 1.317 -25.310 263 3HZ LYS 33 3HZ LYS 33 -10.626 2.836 -25.544 264 H GLY 34 H GLY 34 -10.873 0.008 -18.756 265 1HA GLY 34 1HA GLY 34 -13.562 0.951 -18.929 266 2HA GLY 34 2HA GLY 34 -13.019 -0.694 -18.666 267 H TYR 35 H TYR 35 -11.593 -0.636 -16.309 268 HA TYR 35 HA TYR 35 -13.423 -0.833 -14.352 269 1HB TYR 35 1HB TYR 35 -10.588 -0.740 -14.721 270 2HB TYR 35 2HB TYR 35 -10.889 0.459 -13.478 271 HD1 TYR 35 HD1 TYR 35 -9.813 -2.721 -13.809 272 HD2 TYR 35 HD2 TYR 35 -12.912 -0.592 -11.766 273 HE1 TYR 35 HE1 TYR 35 -9.930 -4.558 -12.055 274 HE2 TYR 35 HE2 TYR 35 -13.018 -2.436 -10.020 275 HH TYR 35 HH TYR 35 -11.684 -5.433 -10.481 276 H ALA 36 H ALA 36 -11.718 2.174 -15.379 277 HA ALA 36 HA ALA 36 -12.603 3.785 -13.287 278 1HB ALA 36 1HB ALA 36 -10.809 4.515 -14.690 279 2HB ALA 36 2HB ALA 36 -11.793 4.337 -16.162 280 3HB ALA 36 3HB ALA 36 -12.162 5.631 -14.997 281 H ASN 37 H ASN 37 -14.081 2.891 -16.450 282 HA ASN 37 HA ASN 37 -16.247 4.658 -16.098 283 1HB ASN 37 1HB ASN 37 -15.271 2.790 -18.111 284 2HB ASN 37 2HB ASN 37 -16.979 2.496 -17.853 285 1HD2 ASN 37 1HD2 ASN 37 -17.250 3.254 -20.016 286 2HD2 ASN 37 2HD2 ASN 37 -17.346 4.947 -20.367 287 H LEU 38 H LEU 38 -15.430 1.308 -15.219 288 HA LEU 38 HA LEU 38 -18.089 0.446 -14.741 289 1HB LEU 38 1HB LEU 38 -16.187 -1.035 -15.269 290 2HB LEU 38 2HB LEU 38 -15.458 -0.639 -13.725 291 HG LEU 38 HG LEU 38 -17.861 -1.500 -12.850 292 1HD1 LEU 38 1HD1 LEU 38 -18.566 -3.468 -14.117 293 2HD1 LEU 38 2HD1 LEU 38 -18.708 -1.985 -15.092 294 3HD1 LEU 38 3HD1 LEU 38 -17.354 -3.107 -15.370 295 1HD2 LEU 38 1HD2 LEU 38 -15.982 -3.707 -13.452 296 2HD2 LEU 38 2HD2 LEU 38 -15.295 -2.304 -12.599 297 3HD2 LEU 38 3HD2 LEU 38 -16.684 -3.175 -11.906 298 H VAL 39 H VAL 39 -15.405 1.695 -12.656 299 HA VAL 39 HA VAL 39 -16.957 1.541 -10.293 300 HB VAL 39 HB VAL 39 -15.126 2.833 -9.321 301 1HG1 VAL 39 1HG1 VAL 39 -14.692 0.392 -10.952 302 2HG1 VAL 39 2HG1 VAL 39 -13.225 1.230 -10.394 303 3HG1 VAL 39 3HG1 VAL 39 -14.436 0.676 -9.214 304 1HG2 VAL 39 1HG2 VAL 39 -13.132 3.235 -10.995 305 2HG2 VAL 39 2HG2 VAL 39 -14.436 3.312 -12.204 306 3HG2 VAL 39 3HG2 VAL 39 -14.431 4.440 -10.827 307 H ASN 40 H ASN 40 -16.511 3.926 -12.892 308 HA ASN 40 HA ASN 40 -17.450 6.129 -11.511 309 1HB ASN 40 1HB ASN 40 -16.348 6.379 -13.683 310 2HB ASN 40 2HB ASN 40 -17.542 5.368 -14.472 311 1HD2 ASN 40 1HD2 ASN 40 -17.982 7.009 -15.948 312 2HD2 ASN 40 2HD2 ASN 40 -18.953 8.389 -15.556 313 H LEU 41 H LEU 41 -19.011 3.294 -12.942 314 HA LEU 41 HA LEU 41 -21.621 4.522 -13.013 315 1HB LEU 41 1HB LEU 41 -20.325 2.177 -14.099 316 2HB LEU 41 2HB LEU 41 -21.837 1.744 -13.326 317 HG LEU 41 HG LEU 41 -21.899 4.093 -15.157 318 1HD1 LEU 41 1HD1 LEU 41 -20.563 1.863 -16.059 319 2HD1 LEU 41 2HD1 LEU 41 -22.230 1.572 -16.612 320 3HD1 LEU 41 3HD1 LEU 41 -21.387 3.069 -17.075 321 1HD2 LEU 41 1HD2 LEU 41 -24.090 3.736 -15.070 322 2HD2 LEU 41 2HD2 LEU 41 -23.900 2.029 -15.541 323 3HD2 LEU 41 3HD2 LEU 41 -23.770 2.501 -13.829 324 H ILE 42 H ILE 42 -19.941 1.888 -11.165 325 HA ILE 42 HA ILE 42 -21.916 1.143 -9.494 326 HB ILE 42 HB ILE 42 -18.978 1.552 -8.960 327 1HG1 ILE 42 1HG1 ILE 42 -20.358 -1.091 -9.301 328 2HG1 ILE 42 2HG1 ILE 42 -20.001 -0.126 -10.719 329 1HG2 ILE 42 1HG2 ILE 42 -20.982 0.069 -7.237 330 2HG2 ILE 42 2HG2 ILE 42 -19.219 0.120 -7.002 331 3HG2 ILE 42 3HG2 ILE 42 -20.183 1.606 -6.826 332 1HD1 ILE 42 1HD1 ILE 42 -18.224 -1.861 -9.511 333 2HD1 ILE 42 2HD1 ILE 42 -17.753 -0.512 -10.572 334 3HD1 ILE 42 3HD1 ILE 42 -17.740 -0.301 -8.805 335 H GLU 43 H GLU 43 -23.439 2.545 -8.710 336 HA GLU 43 HA GLU 43 -23.180 5.113 -8.096 337 1HB GLU 43 1HB GLU 43 -25.050 3.033 -7.537 338 2HB GLU 43 2HB GLU 43 -24.801 3.879 -6.023 339 1HG GLU 43 1HG GLU 43 -24.993 6.009 -7.762 340 2HG GLU 43 2HG GLU 43 -26.041 4.851 -8.559 341 HA PRO 44 HA PRO 44 -21.591 4.056 -3.752 342 1HB PRO 44 1HB PRO 44 -20.898 1.486 -3.134 343 2HB PRO 44 2HB PRO 44 -22.463 2.175 -2.749 344 1HG PRO 44 1HG PRO 44 -21.758 0.251 -4.880 345 2HG PRO 44 2HG PRO 44 -23.335 0.620 -4.212 346 1HD PRO 44 1HD PRO 44 -22.285 1.511 -6.728 347 2HD PRO 44 2HD PRO 44 -23.815 1.973 -6.008 348 H MET 45 H MET 45 -20.012 5.356 -4.884 349 HA MET 45 HA MET 45 -17.480 4.136 -4.527 350 1HB MET 45 1HB MET 45 -18.301 3.393 -6.878 351 2HB MET 45 2HB MET 45 -18.215 5.079 -7.350 352 1HG MET 45 1HG MET 45 -16.087 4.371 -7.998 353 2HG MET 45 2HG MET 45 -15.736 4.924 -6.373 354 1HE MET 45 1HE MET 45 -13.509 2.522 -5.719 355 2HE MET 45 2HE MET 45 -13.621 2.042 -7.429 356 3HE MET 45 3HE MET 45 -13.766 3.756 -6.975 357 H LYS 46 H LYS 46 -16.283 5.736 -3.599 358 HA LYS 46 HA LYS 46 -17.146 8.443 -3.801 359 1HB LYS 46 1HB LYS 46 -15.802 6.962 -1.928 360 2HB LYS 46 2HB LYS 46 -14.491 7.883 -2.637 361 1HG LYS 46 1HG LYS 46 -15.144 9.706 -1.463 362 2HG LYS 46 2HG LYS 46 -16.667 9.713 -2.330 363 1HD LYS 46 1HD LYS 46 -17.716 9.196 -0.389 364 2HD LYS 46 2HD LYS 46 -16.940 7.625 -0.435 365 1HE LYS 46 1HE LYS 46 -15.063 8.407 0.890 366 2HE LYS 46 2HE LYS 46 -15.543 10.082 0.710 367 1HZ LYS 46 1HZ LYS 46 -17.657 8.600 1.792 368 2HZ LYS 46 2HZ LYS 46 -16.312 8.345 2.682 369 3HZ LYS 46 3HZ LYS 46 -16.858 9.866 2.444 370 H ALA 47 H ALA 47 -13.979 6.844 -4.613 371 HA ALA 47 HA ALA 47 -13.913 8.122 -7.156 372 1HB ALA 47 1HB ALA 47 -11.613 9.258 -6.322 373 2HB ALA 47 2HB ALA 47 -13.175 10.111 -6.280 374 3HB ALA 47 3HB ALA 47 -12.537 9.350 -4.804 375 H PHE 48 H PHE 48 -12.034 7.394 -8.416 376 HA PHE 48 HA PHE 48 -11.013 4.890 -7.311 377 1HB PHE 48 1HB PHE 48 -12.305 5.298 -9.609 378 2HB PHE 48 2HB PHE 48 -10.788 5.978 -10.165 379 HD1 PHE 48 HD1 PHE 48 -12.252 2.885 -8.710 380 HD2 PHE 48 HD2 PHE 48 -9.115 4.584 -11.009 381 HE1 PHE 48 HE1 PHE 48 -11.437 0.585 -9.297 382 HE2 PHE 48 HE2 PHE 48 -8.300 2.284 -11.596 383 HZ PHE 48 HZ PHE 48 -9.471 0.312 -10.733 384 H HIS 49 H HIS 49 -8.932 4.765 -6.621 385 HA HIS 49 HA HIS 49 -7.079 6.752 -7.723 386 1HB HIS 49 1HB HIS 49 -7.795 6.142 -4.971 387 2HB HIS 49 2HB HIS 49 -6.078 5.923 -5.238 388 HD1 HIS 49 HD1 HIS 49 -8.381 8.452 -4.251 389 HD2 HIS 49 HD2 HIS 49 -5.002 8.397 -6.737 390 HE1 HIS 49 HE1 HIS 49 -7.591 10.871 -4.437 391 HE2 HIS 49 HE2 HIS 49 -5.481 10.767 -5.932 392 H TRP 50 H TRP 50 -4.974 6.028 -8.269 393 HA TRP 50 HA TRP 50 -4.470 3.174 -7.916 394 1HB TRP 50 1HB TRP 50 -3.988 2.784 -10.195 395 2HB TRP 50 2HB TRP 50 -5.593 3.483 -10.109 396 HD1 TRP 50 HD1 TRP 50 -5.726 6.205 -10.854 397 HE1 TRP 50 HE1 TRP 50 -4.391 7.598 -12.654 398 HE3 TRP 50 HE3 TRP 50 -1.832 2.959 -11.245 399 HZ2 TRP 50 HZ2 TRP 50 -1.911 7.195 -14.009 400 HZ3 TRP 50 HZ3 TRP 50 0.005 3.533 -12.829 401 HH2 TRP 50 HH2 TRP 50 0.007 5.568 -14.183 402 H GLY 51 H GLY 51 -2.223 2.717 -7.739 403 1HA GLY 51 1HA GLY 51 -0.370 4.966 -8.100 404 2HA GLY 51 2HA GLY 51 -0.504 4.236 -6.513 405 H LYS 52 H LYS 52 1.166 4.140 -9.450 406 HA LYS 52 HA LYS 52 1.894 1.324 -9.050 407 1HB LYS 52 1HB LYS 52 2.517 1.248 -11.363 408 2HB LYS 52 2HB LYS 52 0.892 1.895 -11.251 409 1HG LYS 52 1HG LYS 52 1.606 4.121 -11.723 410 2HG LYS 52 2HG LYS 52 3.273 3.778 -11.306 411 1HD LYS 52 1HD LYS 52 1.919 2.371 -13.639 412 2HD LYS 52 2HD LYS 52 2.643 3.954 -13.838 413 1HE LYS 52 1HE LYS 52 4.421 2.059 -12.420 414 2HE LYS 52 2HE LYS 52 3.988 1.506 -14.025 415 1HZ LYS 52 1HZ LYS 52 5.954 2.993 -13.882 416 2HZ LYS 52 2HZ LYS 52 4.820 3.472 -14.955 417 3HZ LYS 52 3HZ LYS 52 4.951 4.228 -13.513 418 H ASP 53 H ASP 53 4.190 0.768 -9.206 419 HA ASP 53 HA ASP 53 5.758 2.150 -7.566 420 1HB ASP 53 1HB ASP 53 7.723 1.114 -8.911 421 2HB ASP 53 2HB ASP 53 6.529 0.016 -8.245 422 H VAL 54 H VAL 54 7.399 3.820 -7.782 423 HA VAL 54 HA VAL 54 7.215 5.318 -10.303 424 HB VAL 54 HB VAL 54 7.733 7.292 -8.987 425 1HG1 VAL 54 1HG1 VAL 54 5.516 6.101 -7.389 426 2HG1 VAL 54 2HG1 VAL 54 5.589 7.635 -8.289 427 3HG1 VAL 54 3HG1 VAL 54 5.333 6.104 -9.160 428 1HG2 VAL 54 1HG2 VAL 54 8.943 6.936 -7.120 429 2HG2 VAL 54 2HG2 VAL 54 7.362 6.699 -6.338 430 3HG2 VAL 54 3HG2 VAL 54 8.299 5.292 -6.894 431 H SER 55 H SER 55 8.984 5.160 -11.570 432 HA SER 55 HA SER 55 11.004 4.541 -12.176 433 1HB SER 55 1HB SER 55 11.253 6.800 -10.260 434 2HB SER 55 2HB SER 55 12.756 5.954 -10.570 435 HG SER 55 HG SER 55 12.572 6.387 -12.795 436 H ILE 56 H ILE 56 10.312 2.351 -10.987 437 HA ILE 56 HA ILE 56 12.111 1.836 -8.746 438 HB ILE 56 HB ILE 56 9.692 1.309 -8.566 439 1HG1 ILE 56 1HG1 ILE 56 10.313 -1.285 -8.027 440 2HG1 ILE 56 2HG1 ILE 56 11.920 -0.591 -8.111 441 1HG2 ILE 56 1HG2 ILE 56 9.173 0.639 -10.811 442 2HG2 ILE 56 2HG2 ILE 56 10.334 -0.708 -10.732 443 3HG2 ILE 56 3HG2 ILE 56 8.868 -0.737 -9.724 444 1HD1 ILE 56 1HD1 ILE 56 9.843 0.946 -6.571 445 2HD1 ILE 56 2HD1 ILE 56 10.484 -0.546 -5.842 446 3HD1 ILE 56 3HD1 ILE 56 11.590 0.783 -6.268 447 H GLU 57 H GLU 57 12.131 1.778 -12.101 448 HA GLU 57 HA GLU 57 13.413 0.850 -13.586 449 1HB GLU 57 1HB GLU 57 15.062 -0.051 -11.184 450 2HB GLU 57 2HB GLU 57 15.602 -0.189 -12.846 451 1HG GLU 57 1HG GLU 57 15.473 2.252 -13.148 452 2HG GLU 57 2HG GLU 57 14.761 2.450 -11.559 453 H ASN 58 H ASN 58 13.985 -1.675 -11.051 454 HA ASN 58 HA ASN 58 12.051 -3.395 -12.177 455 1HB ASN 58 1HB ASN 58 14.738 -3.465 -13.279 456 2HB ASN 58 2HB ASN 58 14.477 -4.949 -12.384 457 1HD2 ASN 58 1HD2 ASN 58 14.818 -4.893 -15.119 458 2HD2 ASN 58 2HD2 ASN 58 13.361 -5.376 -15.921 459 H LEU 59 H LEU 59 11.454 -3.409 -9.878 460 HA LEU 59 HA LEU 59 12.891 -5.366 -8.368 461 1HB LEU 59 1HB LEU 59 13.371 -2.529 -7.912 462 2HB LEU 59 2HB LEU 59 12.754 -3.333 -6.482 463 HG LEU 59 HG LEU 59 15.173 -4.249 -8.061 464 1HD1 LEU 59 1HD1 LEU 59 15.750 -3.307 -5.394 465 2HD1 LEU 59 2HD1 LEU 59 16.442 -2.804 -6.955 466 3HD1 LEU 59 3HD1 LEU 59 14.956 -2.034 -6.351 467 1HD2 LEU 59 1HD2 LEU 59 14.479 -6.170 -7.012 468 2HD2 LEU 59 2HD2 LEU 59 15.533 -5.466 -5.762 469 3HD2 LEU 59 3HD2 LEU 59 13.766 -5.297 -5.634 470 H HIS 60 H HIS 60 10.887 -6.479 -8.598 471 HA HIS 60 HA HIS 60 9.052 -5.852 -6.544 472 1HB HIS 60 1HB HIS 60 7.056 -5.559 -7.994 473 2HB HIS 60 2HB HIS 60 8.178 -4.213 -8.040 474 HD1 HIS 60 HD1 HIS 60 7.227 -7.275 -10.125 475 HD2 HIS 60 HD2 HIS 60 9.033 -3.514 -10.562 476 HE1 HIS 60 HE1 HIS 60 7.572 -6.934 -12.630 477 HE2 HIS 60 HE2 HIS 60 8.634 -4.584 -12.840 478 H GLN 61 H GLN 61 7.532 -7.614 -6.193 479 HA GLN 61 HA GLN 61 8.638 -10.064 -7.031 480 1HB GLN 61 1HB GLN 61 6.845 -9.130 -5.000 481 2HB GLN 61 2HB GLN 61 6.004 -10.393 -5.877 482 1HG GLN 61 1HG GLN 61 7.368 -11.273 -3.955 483 2HG GLN 61 2HG GLN 61 7.819 -11.979 -5.495 484 1HE2 GLN 61 1HE2 GLN 61 8.727 -9.892 -2.889 485 2HE2 GLN 61 2HE2 GLN 61 10.387 -9.643 -3.317 486 H GLY 62 H GLY 62 6.258 -7.890 -8.334 487 1HA GLY 62 1HA GLY 62 5.804 -8.533 -10.722 488 2HA GLY 62 2HA GLY 62 5.178 -10.032 -10.063 489 H TYR 63 H TYR 63 4.867 -6.692 -8.706 490 HA TYR 63 HA TYR 63 2.009 -7.096 -8.520 491 1HB TYR 63 1HB TYR 63 4.030 -4.899 -7.758 492 2HB TYR 63 2HB TYR 63 2.324 -4.774 -7.377 493 HD1 TYR 63 HD1 TYR 63 5.101 -5.088 -5.686 494 HD2 TYR 63 HD2 TYR 63 1.694 -7.544 -6.502 495 HE1 TYR 63 HE1 TYR 63 5.488 -6.358 -3.517 496 HE2 TYR 63 HE2 TYR 63 2.092 -8.805 -4.331 497 HH TYR 63 HH TYR 63 3.146 -8.439 -2.206 498 H THR 64 H THR 64 4.377 -5.330 -10.491 499 HA THR 64 HA THR 64 4.156 -4.016 -12.271 500 HB THR 64 HB THR 64 2.466 -4.656 -13.834 501 HG1 THR 64 HG1 THR 64 0.419 -5.572 -12.830 502 1HG2 THR 64 1HG2 THR 64 1.940 -7.088 -13.403 503 2HG2 THR 64 2HG2 THR 64 3.668 -6.722 -13.183 504 3HG2 THR 64 3HG2 THR 64 2.610 -6.910 -11.764 505 H HIS 65 H HIS 65 0.887 -3.917 -10.689 506 HA HIS 65 HA HIS 65 1.367 -1.111 -10.161 507 1HB HIS 65 1HB HIS 65 -1.006 -2.074 -11.784 508 2HB HIS 65 2HB HIS 65 -0.802 -0.452 -11.153 509 HD1 HIS 65 HD1 HIS 65 1.261 -2.831 -13.362 510 HD2 HIS 65 HD2 HIS 65 0.252 1.226 -13.017 511 HE1 HIS 65 HE1 HIS 65 2.361 -1.650 -15.339 512 HE2 HIS 65 HE2 HIS 65 1.660 0.830 -15.103 513 H ILE 66 H ILE 66 -0.887 -0.282 -9.017 514 HA ILE 66 HA ILE 66 -1.726 -2.446 -7.226 515 HB ILE 66 HB ILE 66 -0.131 -0.140 -6.585 516 1HG1 ILE 66 1HG1 ILE 66 -1.181 -2.478 -4.966 517 2HG1 ILE 66 2HG1 ILE 66 0.342 -2.405 -5.830 518 1HG2 ILE 66 1HG2 ILE 66 -2.828 -0.314 -5.220 519 2HG2 ILE 66 2HG2 ILE 66 -1.429 0.577 -4.575 520 3HG2 ILE 66 3HG2 ILE 66 -2.153 1.061 -6.128 521 1HD1 ILE 66 1HD1 ILE 66 1.211 -1.678 -3.850 522 2HD1 ILE 66 2HD1 ILE 66 0.477 -0.113 -4.271 523 3HD1 ILE 66 3HD1 ILE 66 -0.392 -1.246 -3.208 524 H PHE 67 H PHE 67 -3.852 -2.108 -6.246 525 HA PHE 67 HA PHE 67 -5.435 -0.141 -7.743 526 1HB PHE 67 1HB PHE 67 -5.874 -3.083 -7.008 527 2HB PHE 67 2HB PHE 67 -7.247 -2.054 -7.363 528 HD1 PHE 67 HD1 PHE 67 -3.916 -2.832 -8.880 529 HD2 PHE 67 HD2 PHE 67 -8.059 -2.163 -9.509 530 HE1 PHE 67 HE1 PHE 67 -3.616 -3.278 -11.332 531 HE2 PHE 67 HE2 PHE 67 -7.759 -2.608 -11.961 532 HZ PHE 67 HZ PHE 67 -5.541 -3.161 -12.843 533 H GLU 68 H GLU 68 -6.460 1.301 -6.443 534 HA GLU 68 HA GLU 68 -7.105 0.370 -3.757 535 1HB GLU 68 1HB GLU 68 -6.129 3.168 -4.476 536 2HB GLU 68 2HB GLU 68 -6.528 2.595 -2.869 537 1HG GLU 68 1HG GLU 68 -4.301 2.101 -2.712 538 2HG GLU 68 2HG GLU 68 -4.711 0.675 -3.645 539 H SER 69 H SER 69 -9.195 0.804 -3.066 540 HA SER 69 HA SER 69 -10.726 2.581 -4.798 541 1HB SER 69 1HB SER 69 -11.585 -0.093 -3.612 542 2HB SER 69 2HB SER 69 -12.703 1.038 -4.348 543 HG SER 69 HG SER 69 -11.590 0.826 -6.357 544 H THR 70 H THR 70 -11.733 4.228 -3.686 545 HA THR 70 HA THR 70 -11.552 4.207 -0.800 546 HB THR 70 HB THR 70 -12.619 6.288 -2.780 547 HG1 THR 70 HG1 THR 70 -10.447 6.613 -3.072 548 1HG2 THR 70 1HG2 THR 70 -11.525 6.549 0.071 549 2HG2 THR 70 2HG2 THR 70 -12.047 7.892 -0.975 550 3HG2 THR 70 3HG2 THR 70 -13.240 6.716 -0.373 551 H PHE 71 H PHE 71 -13.105 3.697 0.617 552 HA PHE 71 HA PHE 71 -15.830 3.523 -0.459 553 1HB PHE 71 1HB PHE 71 -14.375 1.746 1.591 554 2HB PHE 71 2HB PHE 71 -16.040 1.524 1.091 555 HD1 PHE 71 HD1 PHE 71 -13.110 -0.010 0.802 556 HD2 PHE 71 HD2 PHE 71 -16.002 1.724 -1.775 557 HE1 PHE 71 HE1 PHE 71 -12.352 -1.512 -1.061 558 HE2 PHE 71 HE2 PHE 71 -15.244 0.222 -3.637 559 HZ PHE 71 HZ PHE 71 -13.428 -1.378 -3.258 560 H GLU 72 H GLU 72 -17.500 3.444 1.429 561 HA GLU 72 HA GLU 72 -16.863 5.684 3.091 562 1HB GLU 72 1HB GLU 72 -19.162 4.847 1.832 563 2HB GLU 72 2HB GLU 72 -19.465 4.281 3.463 564 1HG GLU 72 1HG GLU 72 -19.893 6.389 4.184 565 2HG GLU 72 2HG GLU 72 -18.346 6.960 3.589 566 H SER 73 H SER 73 -17.602 2.175 3.426 567 HA SER 73 HA SER 73 -16.109 2.030 5.781 568 1HB SER 73 1HB SER 73 -18.726 2.924 6.236 569 2HB SER 73 2HB SER 73 -18.833 1.204 6.555 570 HG SER 73 HG SER 73 -16.714 1.677 7.856 571 H LYS 74 H LYS 74 -16.274 -0.290 6.735 572 HA LYS 74 HA LYS 74 -15.911 -2.147 4.781 573 1HB LYS 74 1HB LYS 74 -15.887 -3.768 6.504 574 2HB LYS 74 2HB LYS 74 -15.287 -2.285 7.219 575 1HG LYS 74 1HG LYS 74 -17.645 -1.821 8.067 576 2HG LYS 74 2HG LYS 74 -18.116 -3.403 7.480 577 1HD LYS 74 1HD LYS 74 -15.747 -3.097 9.358 578 2HD LYS 74 2HD LYS 74 -17.381 -3.154 9.989 579 1HE LYS 74 1HE LYS 74 -16.409 -5.284 8.051 580 2HE LYS 74 2HE LYS 74 -16.025 -5.399 9.757 581 1HZ LYS 74 1HZ LYS 74 -18.488 -5.070 10.102 582 2HZ LYS 74 2HZ LYS 74 -18.671 -5.393 8.511 583 3HZ LYS 74 3HZ LYS 74 -18.017 -6.514 9.503 584 H GLU 75 H GLU 75 -18.956 -1.380 6.574 585 HA GLU 75 HA GLU 75 -20.489 -3.368 5.500 586 1HB GLU 75 1HB GLU 75 -21.341 -0.531 6.231 587 2HB GLU 75 2HB GLU 75 -22.428 -1.894 6.048 588 1HG GLU 75 1HG GLU 75 -21.048 -3.098 7.853 589 2HG GLU 75 2HG GLU 75 -20.215 -1.581 8.124 590 H ALA 76 H ALA 76 -19.531 -0.193 4.142 591 HA ALA 76 HA ALA 76 -21.319 -0.345 1.936 592 1HB ALA 76 1HB ALA 76 -19.983 1.660 3.120 593 2HB ALA 76 2HB ALA 76 -18.805 1.281 1.840 594 3HB ALA 76 3HB ALA 76 -20.473 1.730 1.410 595 H VAL 77 H VAL 77 -17.940 -1.331 2.619 596 HA VAL 77 HA VAL 77 -17.122 -1.813 0.023 597 HB VAL 77 HB VAL 77 -16.430 -3.175 2.631 598 1HG1 VAL 77 1HG1 VAL 77 -15.008 -4.548 1.585 599 2HG1 VAL 77 2HG1 VAL 77 -15.811 -4.090 0.063 600 3HG1 VAL 77 3HG1 VAL 77 -14.350 -3.223 0.595 601 1HG2 VAL 77 1HG2 VAL 77 -15.815 -0.934 2.859 602 2HG2 VAL 77 2HG2 VAL 77 -14.322 -1.703 2.268 603 3HG2 VAL 77 3HG2 VAL 77 -15.352 -0.781 1.147 604 H ALA 78 H ALA 78 -19.294 -3.626 2.178 605 HA ALA 78 HA ALA 78 -19.207 -6.059 0.776 606 1HB ALA 78 1HB ALA 78 -20.052 -5.764 3.090 607 2HB ALA 78 2HB ALA 78 -21.426 -4.826 2.459 608 3HB ALA 78 3HB ALA 78 -21.257 -6.548 2.040 609 H GLU 79 H GLU 79 -21.143 -3.046 0.433 610 HA GLU 79 HA GLU 79 -22.979 -4.041 -1.362 611 1HB GLU 79 1HB GLU 79 -21.992 -1.367 -0.517 612 2HB GLU 79 2HB GLU 79 -22.702 -1.398 -2.119 613 1HG GLU 79 1HG GLU 79 -24.702 -1.205 -1.036 614 2HG GLU 79 2HG GLU 79 -24.530 -2.918 -0.708 615 H TYR 80 H TYR 80 -19.784 -2.419 -1.920 616 HA TYR 80 HA TYR 80 -19.882 -2.397 -4.690 617 1HB TYR 80 1HB TYR 80 -18.192 -1.204 -3.339 618 2HB TYR 80 2HB TYR 80 -17.697 -2.688 -2.549 619 HD1 TYR 80 HD1 TYR 80 -15.633 -3.515 -3.183 620 HD2 TYR 80 HD2 TYR 80 -17.981 -1.415 -6.078 621 HE1 TYR 80 HE1 TYR 80 -13.786 -3.809 -4.904 622 HE2 TYR 80 HE2 TYR 80 -16.125 -1.716 -7.790 623 HH TYR 80 HH TYR 80 -13.066 -2.475 -7.015 624 H ILE 81 H ILE 81 -18.461 -4.878 -2.447 625 HA ILE 81 HA ILE 81 -17.679 -6.586 -4.543 626 HB ILE 81 HB ILE 81 -18.125 -7.028 -1.593 627 1HG1 ILE 81 1HG1 ILE 81 -15.442 -7.015 -2.910 628 2HG1 ILE 81 2HG1 ILE 81 -16.252 -5.476 -2.694 629 1HG2 ILE 81 1HG2 ILE 81 -16.791 -9.104 -1.897 630 2HG2 ILE 81 2HG2 ILE 81 -18.395 -9.163 -2.667 631 3HG2 ILE 81 3HG2 ILE 81 -16.941 -8.900 -3.659 632 1HD1 ILE 81 1HD1 ILE 81 -14.819 -6.006 -0.743 633 2HD1 ILE 81 2HD1 ILE 81 -16.532 -5.941 -0.266 634 3HD1 ILE 81 3HD1 ILE 81 -15.727 -7.514 -0.480 635 H ALA 82 H ALA 82 -20.754 -5.797 -3.160 636 HA ALA 82 HA ALA 82 -21.911 -8.337 -3.998 637 1HB ALA 82 1HB ALA 82 -23.918 -7.500 -2.856 638 2HB ALA 82 2HB ALA 82 -22.500 -7.373 -1.788 639 3HB ALA 82 3HB ALA 82 -23.134 -5.923 -2.601 640 H HIS 83 H HIS 83 -20.704 -6.292 -5.886 641 HA HIS 83 HA HIS 83 -23.151 -5.532 -7.294 642 1HB HIS 83 1HB HIS 83 -21.071 -3.950 -6.595 643 2HB HIS 83 2HB HIS 83 -20.512 -4.482 -8.169 644 HD1 HIS 83 HD1 HIS 83 -21.610 -3.458 -10.232 645 HD2 HIS 83 HD2 HIS 83 -23.577 -2.480 -6.658 646 HE1 HIS 83 HE1 HIS 83 -23.321 -1.660 -10.826 647 HE2 HIS 83 HE2 HIS 83 -24.536 -1.139 -8.601 648 HA PRO 84 HA PRO 84 -22.202 -8.561 -10.243 649 1HB PRO 84 1HB PRO 84 -23.876 -7.789 -12.261 650 2HB PRO 84 2HB PRO 84 -24.409 -8.725 -10.878 651 1HG PRO 84 1HG PRO 84 -24.849 -5.859 -11.457 652 2HG PRO 84 2HG PRO 84 -25.706 -6.897 -10.335 653 1HD PRO 84 1HD PRO 84 -23.723 -4.930 -9.682 654 2HD PRO 84 2HD PRO 84 -24.497 -6.047 -8.574 655 H ALA 85 H ALA 85 -22.058 -5.205 -11.174 656 HA ALA 85 HA ALA 85 -20.690 -5.589 -13.572 657 1HB ALA 85 1HB ALA 85 -20.112 -3.204 -11.854 658 2HB ALA 85 2HB ALA 85 -20.543 -3.291 -13.578 659 3HB ALA 85 3HB ALA 85 -21.802 -3.485 -12.335 660 H HIS 86 H HIS 86 -19.555 -5.220 -10.164 661 HA HIS 86 HA HIS 86 -16.822 -5.297 -10.927 662 1HB HIS 86 1HB HIS 86 -17.076 -4.174 -8.955 663 2HB HIS 86 2HB HIS 86 -18.386 -5.195 -8.398 664 HD1 HIS 86 HD1 HIS 86 -14.595 -5.127 -8.642 665 HD2 HIS 86 HD2 HIS 86 -17.635 -7.321 -6.761 666 HE1 HIS 86 HE1 HIS 86 -13.436 -6.657 -6.960 667 HE2 HIS 86 HE2 HIS 86 -15.359 -7.941 -5.797 668 H VAL 87 H VAL 87 -19.294 -7.663 -9.869 669 HA VAL 87 HA VAL 87 -17.519 -9.784 -9.408 670 HB VAL 87 HB VAL 87 -20.443 -9.442 -9.897 671 1HG1 VAL 87 1HG1 VAL 87 -20.280 -11.396 -11.144 672 2HG1 VAL 87 2HG1 VAL 87 -18.919 -12.022 -10.183 673 3HG1 VAL 87 3HG1 VAL 87 -20.564 -12.023 -9.503 674 1HG2 VAL 87 1HG2 VAL 87 -19.016 -10.928 -7.679 675 2HG2 VAL 87 2HG2 VAL 87 -19.262 -9.165 -7.651 676 3HG2 VAL 87 3HG2 VAL 87 -20.666 -10.259 -7.685 677 H GLU 88 H GLU 88 -19.199 -8.551 -12.337 678 HA GLU 88 HA GLU 88 -18.547 -10.720 -13.946 679 1HB GLU 88 1HB GLU 88 -20.217 -8.724 -14.307 680 2HB GLU 88 2HB GLU 88 -18.838 -7.892 -14.998 681 1HG GLU 88 1HG GLU 88 -18.746 -9.274 -16.856 682 2HG GLU 88 2HG GLU 88 -19.278 -10.689 -15.970 683 H PHE 89 H PHE 89 -16.893 -7.567 -13.310 684 HA PHE 89 HA PHE 89 -14.835 -7.973 -15.170 685 1HB PHE 89 1HB PHE 89 -15.769 -5.950 -13.560 686 2HB PHE 89 2HB PHE 89 -14.434 -6.484 -12.558 687 HD1 PHE 89 HD1 PHE 89 -15.377 -4.392 -15.232 688 HD2 PHE 89 HD2 PHE 89 -12.118 -6.679 -13.764 689 HE1 PHE 89 HE1 PHE 89 -13.792 -3.018 -16.610 690 HE2 PHE 89 HE2 PHE 89 -10.533 -5.304 -15.141 691 HZ PHE 89 HZ PHE 89 -11.389 -3.490 -16.548 692 H ALA 90 H ALA 90 -15.039 -8.545 -11.592 693 HA ALA 90 HA ALA 90 -12.434 -9.391 -11.232 694 1HB ALA 90 1HB ALA 90 -14.997 -9.466 -9.812 695 2HB ALA 90 2HB ALA 90 -13.985 -10.885 -9.455 696 3HB ALA 90 3HB ALA 90 -13.350 -9.246 -9.175 697 H THR 91 H THR 91 -15.265 -11.034 -12.626 698 HA THR 91 HA THR 91 -14.086 -13.640 -12.504 699 HB THR 91 HB THR 91 -16.443 -12.497 -14.097 700 HG1 THR 91 HG1 THR 91 -16.201 -14.013 -11.596 701 1HG2 THR 91 1HG2 THR 91 -15.975 -15.360 -13.144 702 2HG2 THR 91 2HG2 THR 91 -17.230 -14.774 -14.262 703 3HG2 THR 91 3HG2 THR 91 -15.529 -14.830 -14.784 704 H ILE 92 H ILE 92 -14.235 -10.976 -14.893 705 HA ILE 92 HA ILE 92 -13.120 -12.551 -16.976 706 HB ILE 92 HB ILE 92 -13.642 -9.630 -16.536 707 1HG1 ILE 92 1HG1 ILE 92 -14.668 -11.514 -18.672 708 2HG1 ILE 92 2HG1 ILE 92 -15.466 -11.292 -17.128 709 1HG2 ILE 92 1HG2 ILE 92 -12.845 -9.193 -18.829 710 2HG2 ILE 92 2HG2 ILE 92 -11.534 -9.689 -17.731 711 3HG2 ILE 92 3HG2 ILE 92 -12.199 -10.850 -18.906 712 1HD1 ILE 92 1HD1 ILE 92 -14.765 -8.747 -18.490 713 2HD1 ILE 92 2HD1 ILE 92 -15.942 -9.755 -19.366 714 3HD1 ILE 92 3HD1 ILE 92 -16.283 -9.234 -17.699 715 H PHE 93 H PHE 93 -11.857 -10.538 -14.318 716 HA PHE 93 HA PHE 93 -9.236 -10.350 -15.331 717 1HB PHE 93 1HB PHE 93 -10.806 -9.396 -13.188 718 2HB PHE 93 2HB PHE 93 -9.672 -10.455 -12.373 719 HD1 PHE 93 HD1 PHE 93 -8.159 -9.079 -11.288 720 HD2 PHE 93 HD2 PHE 93 -9.182 -8.213 -15.314 721 HE1 PHE 93 HE1 PHE 93 -6.428 -7.262 -11.338 722 HE2 PHE 93 HE2 PHE 93 -7.451 -6.397 -15.364 723 HZ PHE 93 HZ PHE 93 -6.094 -5.943 -13.375 724 H LEU 94 H LEU 94 -10.745 -12.496 -12.813 725 HA LEU 94 HA LEU 94 -8.466 -13.947 -12.238 726 1HB LEU 94 1HB LEU 94 -9.812 -15.207 -10.951 727 2HB LEU 94 2HB LEU 94 -10.882 -13.841 -11.199 728 HG LEU 94 HG LEU 94 -11.650 -15.366 -13.288 729 1HD1 LEU 94 1HD1 LEU 94 -11.862 -17.733 -12.202 730 2HD1 LEU 94 2HD1 LEU 94 -10.379 -17.277 -13.074 731 3HD1 LEU 94 3HD1 LEU 94 -10.413 -17.236 -11.295 732 1HD2 LEU 94 1HD2 LEU 94 -13.621 -15.550 -12.189 733 2HD2 LEU 94 2HD2 LEU 94 -12.866 -16.153 -10.694 734 3HD2 LEU 94 3HD2 LEU 94 -12.824 -14.415 -11.075 735 H GLY 95 H GLY 95 -10.567 -13.976 -15.061 736 1HA GLY 95 1HA GLY 95 -10.103 -16.550 -16.027 737 2HA GLY 95 2HA GLY 95 -10.482 -15.132 -16.985 738 H SER 96 H SER 96 -8.224 -13.475 -16.426 739 HA SER 96 HA SER 96 -6.015 -15.150 -17.305 740 1HB SER 96 1HB SER 96 -7.352 -12.974 -18.788 741 2HB SER 96 2HB SER 96 -5.622 -12.728 -18.647 742 HG SER 96 HG SER 96 -6.713 -15.267 -19.476 743 H LEU 97 H LEU 97 -6.301 -14.439 -14.663 744 HA LEU 97 HA LEU 97 -4.454 -12.170 -14.387 745 1HB LEU 97 1HB LEU 97 -6.368 -11.382 -13.405 746 2HB LEU 97 2HB LEU 97 -6.884 -12.963 -12.853 747 HG LEU 97 HG LEU 97 -4.395 -12.060 -11.582 748 1HD1 LEU 97 1HD1 LEU 97 -6.882 -10.533 -10.817 749 2HD1 LEU 97 2HD1 LEU 97 -5.196 -10.255 -10.319 750 3HD1 LEU 97 3HD1 LEU 97 -5.702 -9.897 -11.988 751 1HD2 LEU 97 1HD2 LEU 97 -5.418 -12.911 -9.606 752 2HD2 LEU 97 2HD2 LEU 97 -7.035 -12.878 -10.349 753 3HD2 LEU 97 3HD2 LEU 97 -5.811 -14.032 -10.932 754 H ASP 98 H ASP 98 -2.586 -12.484 -13.195 755 HA ASP 98 HA ASP 98 -1.799 -15.155 -12.884 756 1HB ASP 98 1HB ASP 98 -0.047 -13.650 -13.375 757 2HB ASP 98 2HB ASP 98 -0.626 -12.446 -12.241 758 H LYS 99 H LYS 99 -1.338 -12.626 -10.342 759 HA LYS 99 HA LYS 99 -2.800 -14.335 -8.460 760 1HB LYS 99 1HB LYS 99 -1.060 -13.842 -6.765 761 2HB LYS 99 2HB LYS 99 -0.474 -14.814 -8.100 762 1HG LYS 99 1HG LYS 99 1.177 -13.286 -8.391 763 2HG LYS 99 2HG LYS 99 -0.042 -12.161 -8.956 764 1HD LYS 99 1HD LYS 99 0.413 -10.851 -7.163 765 2HD LYS 99 2HD LYS 99 -0.272 -12.094 -6.135 766 1HE LYS 99 1HE LYS 99 1.774 -12.659 -5.317 767 2HE LYS 99 2HE LYS 99 2.436 -12.847 -6.929 768 1HZ LYS 99 1HZ LYS 99 3.524 -10.986 -6.559 769 2HZ LYS 99 2HZ LYS 99 2.118 -10.156 -6.557 770 3HZ LYS 99 3HZ LYS 99 2.745 -10.703 -5.152 771 H VAL 100 H VAL 100 -3.611 -13.140 -6.540 772 HA VAL 100 HA VAL 100 -3.612 -10.267 -6.747 773 HB VAL 100 HB VAL 100 -5.350 -10.615 -8.273 774 1HG1 VAL 100 1HG1 VAL 100 -6.933 -12.298 -8.268 775 2HG1 VAL 100 2HG1 VAL 100 -5.559 -13.120 -7.491 776 3HG1 VAL 100 3HG1 VAL 100 -6.893 -12.483 -6.499 777 1HG2 VAL 100 1HG2 VAL 100 -6.725 -9.167 -7.276 778 2HG2 VAL 100 2HG2 VAL 100 -7.324 -10.423 -6.165 779 3HG2 VAL 100 3HG2 VAL 100 -5.871 -9.484 -5.747 780 H LEU 101 H LEU 101 -3.682 -9.388 -4.719 781 HA LEU 101 HA LEU 101 -4.734 -11.095 -2.585 782 1HB LEU 101 1HB LEU 101 -2.061 -10.815 -3.018 783 2HB LEU 101 2HB LEU 101 -2.358 -9.483 -1.919 784 HG LEU 101 HG LEU 101 -1.631 -11.630 -0.844 785 1HD1 LEU 101 1HD1 LEU 101 -2.478 -10.566 0.911 786 2HD1 LEU 101 2HD1 LEU 101 -3.779 -9.850 -0.071 787 3HD1 LEU 101 3HD1 LEU 101 -3.992 -11.464 0.648 788 1HD2 LEU 101 1HD2 LEU 101 -2.669 -13.567 -1.174 789 2HD2 LEU 101 2HD2 LEU 101 -4.260 -12.857 -0.809 790 3HD2 LEU 101 3HD2 LEU 101 -3.603 -12.765 -2.460 791 H VAL 102 H VAL 102 -5.791 -9.985 -0.908 792 HA VAL 102 HA VAL 102 -6.338 -7.186 -1.564 793 HB VAL 102 HB VAL 102 -8.218 -8.768 -1.516 794 1HG1 VAL 102 1HG1 VAL 102 -7.353 -10.334 0.168 795 2HG1 VAL 102 2HG1 VAL 102 -7.540 -9.091 1.428 796 3HG1 VAL 102 3HG1 VAL 102 -8.976 -9.747 0.604 797 1HG2 VAL 102 1HG2 VAL 102 -8.609 -6.410 -1.001 798 2HG2 VAL 102 2HG2 VAL 102 -9.691 -7.449 -0.043 799 3HG2 VAL 102 3HG2 VAL 102 -8.262 -6.711 0.719 800 H ILE 103 H ILE 103 -5.641 -5.558 -0.256 801 HA ILE 103 HA ILE 103 -4.867 -6.262 2.468 802 HB ILE 103 HB ILE 103 -3.080 -4.741 0.568 803 1HG1 ILE 103 1HG1 ILE 103 -3.187 -7.131 -0.008 804 2HG1 ILE 103 2HG1 ILE 103 -1.610 -6.661 0.594 805 1HG2 ILE 103 1HG2 ILE 103 -3.238 -4.657 3.361 806 2HG2 ILE 103 2HG2 ILE 103 -1.857 -5.721 3.003 807 3HG2 ILE 103 3HG2 ILE 103 -1.908 -4.073 2.332 808 1HD1 ILE 103 1HD1 ILE 103 -1.748 -8.128 2.316 809 2HD1 ILE 103 2HD1 ILE 103 -3.333 -7.483 2.807 810 3HD1 ILE 103 3HD1 ILE 103 -3.236 -8.756 1.566 811 H ASP 104 H ASP 104 -5.080 -4.536 3.964 812 HA ASP 104 HA ASP 104 -6.338 -2.180 2.795 813 1HB ASP 104 1HB ASP 104 -7.632 -4.025 4.365 814 2HB ASP 104 2HB ASP 104 -7.021 -2.951 5.607 815 H TYR 105 H TYR 105 -5.478 -0.200 3.561 816 HA TYR 105 HA TYR 105 -3.538 -0.417 5.765 817 1HB TYR 105 1HB TYR 105 -2.284 0.100 3.788 818 2HB TYR 105 2HB TYR 105 -3.638 0.922 3.038 819 HD1 TYR 105 HD1 TYR 105 -3.678 3.258 2.973 820 HD2 TYR 105 HD2 TYR 105 -1.218 1.299 5.874 821 HE1 TYR 105 HE1 TYR 105 -2.688 5.498 3.657 822 HE2 TYR 105 HE2 TYR 105 -0.236 3.545 6.548 823 HH TYR 105 HH TYR 105 -0.656 5.789 6.460 824 H LYS 106 H LYS 106 -4.258 0.592 7.569 825 HA LYS 106 HA LYS 106 -5.951 2.958 7.161 826 1HB LYS 106 1HB LYS 106 -7.067 2.428 9.229 827 2HB LYS 106 2HB LYS 106 -7.132 1.035 8.169 828 1HG LYS 106 1HG LYS 106 -4.973 0.227 9.400 829 2HG LYS 106 2HG LYS 106 -5.347 1.450 10.598 830 1HD LYS 106 1HD LYS 106 -7.444 -0.575 9.730 831 2HD LYS 106 2HD LYS 106 -6.266 -0.975 10.964 832 1HE LYS 106 1HE LYS 106 -7.252 1.594 11.686 833 2HE LYS 106 2HE LYS 106 -8.664 0.687 11.180 834 1HZ LYS 106 1HZ LYS 106 -8.401 -0.783 12.851 835 2HZ LYS 106 2HZ LYS 106 -6.773 -0.663 12.905 836 3HZ LYS 106 3HZ LYS 106 -7.700 0.500 13.579 837 HA PRO 107 HA PRO 107 -2.919 5.212 9.245 838 1HB PRO 107 1HB PRO 107 -4.368 7.306 10.238 839 2HB PRO 107 2HB PRO 107 -3.835 7.214 8.571 840 1HG PRO 107 1HG PRO 107 -6.542 6.782 9.677 841 2HG PRO 107 2HG PRO 107 -6.072 7.113 8.021 842 1HD PRO 107 1HD PRO 107 -6.842 4.575 9.112 843 2HD PRO 107 2HD PRO 107 -6.261 4.885 7.488 844 H THR 108 H THR 108 -1.873 4.219 10.863 845 HA THR 108 HA THR 108 -3.107 4.609 13.482 846 HB THR 108 HB THR 108 -2.255 1.934 12.260 847 HG1 THR 108 HG1 THR 108 -4.646 3.083 13.524 848 1HG2 THR 108 1HG2 THR 108 -1.587 2.325 14.763 849 2HG2 THR 108 2HG2 THR 108 -3.338 2.392 15.073 850 3HG2 THR 108 3HG2 THR 108 -2.609 0.914 14.401 851 H SER 109 H SER 109 -1.418 6.356 13.296 852 HA SER 109 HA SER 109 1.256 5.298 13.543 853 1HB SER 109 1HB SER 109 1.772 7.861 13.698 854 2HB SER 109 2HB SER 109 1.283 7.188 12.156 855 HG SER 109 HG SER 109 0.159 9.234 13.301 856 H VAL 110 H VAL 110 2.668 6.155 15.378 857 HA VAL 110 HA VAL 110 1.110 6.062 17.834 858 HB VAL 110 HB VAL 110 4.048 5.759 17.202 859 1HG1 VAL 110 1HG1 VAL 110 2.619 5.807 19.872 860 2HG1 VAL 110 2HG1 VAL 110 4.209 5.041 19.639 861 3HG1 VAL 110 3HG1 VAL 110 4.009 6.785 19.343 862 1HG2 VAL 110 1HG2 VAL 110 2.439 3.628 18.528 863 2HG2 VAL 110 2HG2 VAL 110 2.121 3.935 16.804 864 3HG2 VAL 110 3HG2 VAL 110 3.761 3.501 17.343 865 H SER 111 H SER 111 1.098 7.712 19.381 866 HA SER 111 HA SER 111 1.530 10.282 18.336 867 1HB SER 111 1HB SER 111 1.244 10.498 21.145 868 2HB SER 111 2HB SER 111 -0.009 10.692 19.934 869 HG SER 111 HG SER 111 -0.871 9.017 20.991 870 H LEU 112 H LEU 112 3.349 11.569 18.437 871 HA LEU 112 HA LEU 112 5.771 10.523 19.313 872 1HB LEU 112 1HB LEU 112 5.076 13.433 18.914 873 2HB LEU 112 2HB LEU 112 6.669 12.706 18.853 874 HG LEU 112 HG LEU 112 4.610 11.683 16.945 875 1HD1 LEU 112 1HD1 LEU 112 4.251 14.081 16.805 876 2HD1 LEU 112 2HD1 LEU 112 5.999 14.356 16.609 877 3HD1 LEU 112 3HD1 LEU 112 5.087 13.493 15.347 878 1HD2 LEU 112 1HD2 LEU 112 7.577 12.251 16.689 879 2HD2 LEU 112 2HD2 LEU 112 6.836 10.670 17.037 880 3HD2 LEU 112 3HD2 LEU 112 6.546 11.464 15.470 881 1H GLY 1 1H GLY 1 20.239 30.064 -4.915 882 1HA GLY 1 1HA GLY 1 17.687 30.405 -3.598 883 2HA GLY 1 2HA GLY 1 18.498 31.521 -4.677 884 H SER 2 H SER 2 16.476 28.568 -4.502 885 HA SER 2 HA SER 2 16.170 28.477 -7.329 886 1HB SER 2 1HB SER 2 14.654 26.605 -6.887 887 2HB SER 2 2HB SER 2 16.103 26.429 -5.918 888 HG SER 2 HG SER 2 13.473 27.251 -5.077 889 H HIS 3 H HIS 3 14.319 29.619 -4.463 890 HA HIS 3 HA HIS 3 12.550 30.899 -4.254 891 1HB HIS 3 1HB HIS 3 13.371 31.789 -7.027 892 2HB HIS 3 2HB HIS 3 12.053 32.532 -6.143 893 HD1 HIS 3 HD1 HIS 3 14.518 34.211 -6.904 894 HD2 HIS 3 HD2 HIS 3 14.108 32.199 -3.247 895 HE1 HIS 3 HE1 HIS 3 16.061 35.401 -5.256 896 H MET 4 H MET 4 10.226 31.171 -4.876 897 HA MET 4 HA MET 4 8.331 30.165 -5.300 898 1HB MET 4 1HB MET 4 9.822 30.298 -7.916 899 2HB MET 4 2HB MET 4 8.361 29.331 -7.920 900 1HG MET 4 1HG MET 4 7.273 31.308 -8.293 901 2HG MET 4 2HG MET 4 7.494 31.594 -6.578 902 1HE MET 4 1HE MET 4 8.433 35.092 -7.565 903 2HE MET 4 2HE MET 4 7.052 33.981 -7.398 904 3HE MET 4 3HE MET 4 8.237 34.131 -6.079 905 H GLU 5 H GLU 5 8.197 28.315 -4.011 906 HA GLU 5 HA GLU 5 9.381 25.909 -5.122 907 1HB GLU 5 1HB GLU 5 9.243 26.956 -2.495 908 2HB GLU 5 2HB GLU 5 8.145 25.590 -2.491 909 1HG GLU 5 1HG GLU 5 10.211 24.581 -1.965 910 2HG GLU 5 2HG GLU 5 10.075 24.284 -3.687 911 H GLU 6 H GLU 6 8.097 24.474 -6.197 912 HA GLU 6 HA GLU 6 5.256 24.887 -6.029 913 1HB GLU 6 1HB GLU 6 6.763 24.447 -8.175 914 2HB GLU 6 2HB GLU 6 6.556 22.762 -7.740 915 1HG GLU 6 1HG GLU 6 4.065 23.080 -7.735 916 2HG GLU 6 2HG GLU 6 4.286 24.755 -8.200 917 H ALA 7 H ALA 7 3.947 23.710 -4.700 918 HA ALA 7 HA ALA 7 4.953 21.764 -2.990 919 1HB ALA 7 1HB ALA 7 2.097 22.322 -3.890 920 2HB ALA 7 2HB ALA 7 2.564 21.387 -2.449 921 3HB ALA 7 3HB ALA 7 2.949 23.122 -2.548 922 H LYS 8 H LYS 8 4.846 19.482 -2.976 923 HA LYS 8 HA LYS 8 3.699 18.158 -5.268 924 1HB LYS 8 1HB LYS 8 6.652 18.464 -4.885 925 2HB LYS 8 2HB LYS 8 6.046 16.928 -5.472 926 1HG LYS 8 1HG LYS 8 4.599 18.646 -7.052 927 2HG LYS 8 2HG LYS 8 6.044 19.606 -6.805 928 1HD LYS 8 1HD LYS 8 7.462 17.744 -7.619 929 2HD LYS 8 2HD LYS 8 6.057 16.709 -7.776 930 1HE LYS 8 1HE LYS 8 5.707 19.275 -9.193 931 2HE LYS 8 2HE LYS 8 7.105 18.389 -9.769 932 1HZ LYS 8 1HZ LYS 8 4.566 17.004 -9.393 933 2HZ LYS 8 2HZ LYS 8 4.826 17.878 -10.748 934 3HZ LYS 8 3HZ LYS 8 5.804 16.621 -10.386 935 H GLY 9 H GLY 9 3.095 18.336 -2.424 936 1HA GLY 9 1HA GLY 9 3.215 15.489 -1.828 937 2HA GLY 9 2HA GLY 9 4.024 16.546 -0.688 938 HA PRO 10 HA PRO 10 3.449 15.413 0.772 939 1HB PRO 10 1HB PRO 10 2.104 13.736 2.459 940 2HB PRO 10 2HB PRO 10 2.715 15.303 2.952 941 1HG PRO 10 1HG PRO 10 -0.070 14.498 2.372 942 2HG PRO 10 2HG PRO 10 0.508 15.897 3.256 943 1HD PRO 10 1HD PRO 10 -0.497 15.859 0.570 944 2HD PRO 10 2HD PRO 10 0.187 17.234 1.414 945 H VAL 11 H VAL 11 4.378 13.310 0.502 946 HA VAL 11 HA VAL 11 2.849 11.872 -1.547 947 HB VAL 11 HB VAL 11 5.661 12.606 -1.174 948 1HG1 VAL 11 1HG1 VAL 11 6.432 10.488 -2.395 949 2HG1 VAL 11 2HG1 VAL 11 6.098 10.345 -0.652 950 3HG1 VAL 11 3HG1 VAL 11 4.910 9.752 -1.838 951 1HG2 VAL 11 1HG2 VAL 11 5.681 12.661 -3.537 952 2HG2 VAL 11 2HG2 VAL 11 4.288 11.560 -3.659 953 3HG2 VAL 11 3HG2 VAL 11 4.058 13.224 -3.071 954 H LYS 12 H LYS 12 2.462 9.648 -1.339 955 HA LYS 12 HA LYS 12 3.119 8.580 1.318 956 1HB LYS 12 1HB LYS 12 0.658 8.310 -0.403 957 2HB LYS 12 2HB LYS 12 1.044 7.105 0.809 958 1HG LYS 12 1HG LYS 12 -0.028 8.471 2.283 959 2HG LYS 12 2HG LYS 12 1.418 9.461 2.232 960 1HD LYS 12 1HD LYS 12 0.329 11.145 1.163 961 2HD LYS 12 2HD LYS 12 -0.276 10.057 -0.071 962 1HE LYS 12 1HE LYS 12 -1.943 9.280 1.875 963 2HE LYS 12 2HE LYS 12 -1.557 10.849 2.551 964 1HZ LYS 12 1HZ LYS 12 -2.174 11.803 0.388 965 2HZ LYS 12 2HZ LYS 12 -2.664 10.330 -0.118 966 3HZ LYS 12 3HZ LYS 12 -3.420 11.056 1.134 967 H HIS 13 H HIS 13 4.215 6.655 1.446 968 HA HIS 13 HA HIS 13 4.708 5.333 -1.123 969 1HB HIS 13 1HB HIS 13 6.847 5.883 -0.844 970 2HB HIS 13 2HB HIS 13 6.562 6.483 0.777 971 HD1 HIS 13 HD1 HIS 13 8.588 4.108 -0.853 972 HD2 HIS 13 HD2 HIS 13 6.239 3.974 2.620 973 HE1 HIS 13 HE1 HIS 13 9.482 2.166 0.540 974 HE2 HIS 13 HE2 HIS 13 8.035 2.168 2.686 975 H VAL 14 H VAL 14 4.498 3.093 -1.182 976 HA VAL 14 HA VAL 14 3.587 1.897 1.343 977 HB VAL 14 HB VAL 14 2.870 1.240 -1.521 978 1HG1 VAL 14 1HG1 VAL 14 2.478 -0.219 1.034 979 2HG1 VAL 14 2HG1 VAL 14 1.053 -0.103 -0.026 980 3HG1 VAL 14 3HG1 VAL 14 2.561 -0.825 -0.637 981 1HG2 VAL 14 1HG2 VAL 14 1.920 3.351 -0.251 982 2HG2 VAL 14 2HG2 VAL 14 0.851 2.311 -1.222 983 3HG2 VAL 14 3HG2 VAL 14 0.892 2.138 0.549 984 H LEU 15 H LEU 15 4.823 0.300 2.197 985 HA LEU 15 HA LEU 15 6.602 -1.131 0.368 986 1HB LEU 15 1HB LEU 15 8.010 0.537 1.277 987 2HB LEU 15 2HB LEU 15 7.371 0.315 2.894 988 HG LEU 15 HG LEU 15 8.613 -2.100 1.736 989 1HD1 LEU 15 1HD1 LEU 15 10.483 0.110 2.573 990 2HD1 LEU 15 2HD1 LEU 15 10.849 -1.422 1.744 991 3HD1 LEU 15 3HD1 LEU 15 10.003 -0.119 0.874 992 1HD2 LEU 15 1HD2 LEU 15 9.563 -2.294 3.965 993 2HD2 LEU 15 2HD2 LEU 15 8.991 -0.659 4.375 994 3HD2 LEU 15 3HD2 LEU 15 7.817 -1.959 4.058 995 H LEU 16 H LEU 16 6.166 -3.260 0.497 996 HA LEU 16 HA LEU 16 5.010 -4.211 3.021 997 1HB LEU 16 1HB LEU 16 3.794 -5.792 1.830 998 2HB LEU 16 2HB LEU 16 3.633 -4.306 0.915 999 HG LEU 16 HG LEU 16 5.768 -5.411 -0.353 1000 1HD1 LEU 16 1HD1 LEU 16 5.971 -7.471 0.660 1001 2HD1 LEU 16 2HD1 LEU 16 4.215 -7.659 0.886 1002 3HD1 LEU 16 3HD1 LEU 16 4.930 -7.856 -0.732 1003 1HD2 LEU 16 1HD2 LEU 16 3.027 -4.908 -0.886 1004 2HD2 LEU 16 2HD2 LEU 16 4.370 -5.083 -2.041 1005 3HD2 LEU 16 3HD2 LEU 16 3.417 -6.508 -1.560 1006 H ALA 17 H ALA 17 6.161 -5.618 4.246 1007 HA ALA 17 HA ALA 17 8.364 -7.030 2.920 1008 1HB ALA 17 1HB ALA 17 9.682 -6.605 5.047 1009 2HB ALA 17 2HB ALA 17 9.397 -5.167 4.038 1010 3HB ALA 17 3HB ALA 17 8.425 -5.432 5.505 1011 H SER 18 H SER 18 8.825 -9.118 3.790 1012 HA SER 18 HA SER 18 6.800 -10.014 5.689 1013 1HB SER 18 1HB SER 18 6.789 -10.793 3.114 1014 2HB SER 18 2HB SER 18 7.983 -11.935 3.695 1015 HG SER 18 HG SER 18 5.330 -12.145 3.888 1016 H PHE 19 H PHE 19 7.533 -11.354 7.391 1017 HA PHE 19 HA PHE 19 10.433 -11.493 7.614 1018 1HB PHE 19 1HB PHE 19 8.016 -11.802 9.480 1019 2HB PHE 19 2HB PHE 19 9.635 -12.185 10.030 1020 HD1 PHE 19 HD1 PHE 19 7.284 -9.539 9.278 1021 HD2 PHE 19 HD2 PHE 19 11.341 -10.383 10.192 1022 HE1 PHE 19 HE1 PHE 19 7.651 -7.128 9.874 1023 HE2 PHE 19 HE2 PHE 19 11.708 -7.972 10.788 1024 HZ PHE 19 HZ PHE 19 9.859 -6.374 10.622 1025 H LYS 20 H LYS 20 11.462 -13.356 7.084 1026 HA LYS 20 HA LYS 20 10.212 -15.664 6.318 1027 1HB LYS 20 1HB LYS 20 12.824 -14.715 6.503 1028 2HB LYS 20 2HB LYS 20 12.831 -16.137 7.528 1029 1HG LYS 20 1HG LYS 20 11.797 -17.471 5.673 1030 2HG LYS 20 2HG LYS 20 11.811 -16.049 4.648 1031 1HD LYS 20 1HD LYS 20 14.437 -16.080 5.429 1032 2HD LYS 20 2HD LYS 20 14.087 -17.795 5.509 1033 1HE LYS 20 1HE LYS 20 12.906 -17.078 3.089 1034 2HE LYS 20 2HE LYS 20 14.307 -16.026 3.136 1035 1HZ LYS 20 1HZ LYS 20 14.192 -18.867 2.879 1036 2HZ LYS 20 2HZ LYS 20 15.349 -17.823 2.392 1037 3HZ LYS 20 3HZ LYS 20 15.326 -18.354 3.936 1038 H ASP 21 H ASP 21 10.877 -17.906 7.559 1039 HA ASP 21 HA ASP 21 9.428 -17.647 10.039 1040 1HB ASP 21 1HB ASP 21 9.153 -19.431 8.034 1041 2HB ASP 21 2HB ASP 21 10.380 -20.291 8.942 1042 H GLY 22 H GLY 22 10.512 -17.778 12.019 1043 1HA GLY 22 1HA GLY 22 12.234 -19.316 13.117 1044 2HA GLY 22 2HA GLY 22 13.340 -18.612 11.954 1045 H VAL 23 H VAL 23 11.700 -15.973 12.099 1046 HA VAL 23 HA VAL 23 13.234 -14.890 14.286 1047 HB VAL 23 HB VAL 23 11.500 -13.743 12.105 1048 1HG1 VAL 23 1HG1 VAL 23 12.444 -11.497 12.977 1049 2HG1 VAL 23 2HG1 VAL 23 11.059 -12.221 13.829 1050 3HG1 VAL 23 3HG1 VAL 23 12.698 -12.367 14.509 1051 1HG2 VAL 23 1HG2 VAL 23 14.135 -12.657 12.194 1052 2HG2 VAL 23 2HG2 VAL 23 14.270 -14.426 12.337 1053 3HG2 VAL 23 3HG2 VAL 23 13.408 -13.708 10.955 1054 H SER 24 H SER 24 12.492 -14.583 16.322 1055 HA SER 24 HA SER 24 10.136 -15.556 17.191 1056 1HB SER 24 1HB SER 24 12.082 -13.524 18.237 1057 2HB SER 24 2HB SER 24 10.536 -13.630 19.055 1058 HG SER 24 HG SER 24 12.603 -15.166 19.520 1059 HA PRO 25 HA PRO 25 7.099 -12.607 16.184 1060 1HB PRO 25 1HB PRO 25 5.272 -12.916 18.192 1061 2HB PRO 25 2HB PRO 25 5.389 -14.008 16.827 1062 1HG PRO 25 1HG PRO 25 6.274 -14.427 19.616 1063 2HG PRO 25 2HG PRO 25 5.990 -15.620 18.364 1064 1HD PRO 25 1HD PRO 25 8.535 -14.658 19.274 1065 2HD PRO 25 2HD PRO 25 8.246 -15.762 17.944 1066 H GLU 26 H GLU 26 8.272 -12.427 19.469 1067 HA GLU 26 HA GLU 26 7.265 -9.898 19.974 1068 1HB GLU 26 1HB GLU 26 8.953 -11.821 21.274 1069 2HB GLU 26 2HB GLU 26 9.781 -10.279 21.342 1070 1HG GLU 26 1HG GLU 26 7.732 -9.209 22.287 1071 2HG GLU 26 2HG GLU 26 6.883 -10.740 22.196 1072 H LYS 27 H LYS 27 10.187 -11.036 18.269 1073 HA LYS 27 HA LYS 27 11.641 -8.679 18.282 1074 1HB LYS 27 1HB LYS 27 12.369 -10.992 17.550 1075 2HB LYS 27 2HB LYS 27 11.538 -10.706 16.034 1076 1HG LYS 27 1HG LYS 27 13.785 -10.040 15.606 1077 2HG LYS 27 2HG LYS 27 12.924 -8.531 15.838 1078 1HD LYS 27 1HD LYS 27 14.730 -8.149 17.248 1079 2HD LYS 27 2HD LYS 27 13.630 -8.887 18.396 1080 1HE LYS 27 1HE LYS 27 14.801 -10.916 18.440 1081 2HE LYS 27 2HE LYS 27 15.415 -10.727 16.809 1082 1HZ LYS 27 1HZ LYS 27 16.384 -8.650 18.400 1083 2HZ LYS 27 2HZ LYS 27 16.681 -10.066 19.159 1084 3HZ LYS 27 3HZ LYS 27 17.224 -9.825 17.638 1085 H ILE 28 H ILE 28 8.879 -9.754 16.266 1086 HA ILE 28 HA ILE 28 9.062 -7.716 14.363 1087 HB ILE 28 HB ILE 28 6.806 -9.444 15.355 1088 1HG1 ILE 28 1HG1 ILE 28 8.208 -9.471 12.676 1089 2HG1 ILE 28 2HG1 ILE 28 8.796 -10.384 14.052 1090 1HG2 ILE 28 1HG2 ILE 28 5.394 -8.647 13.604 1091 2HG2 ILE 28 2HG2 ILE 28 5.947 -7.235 14.536 1092 3HG2 ILE 28 3HG2 ILE 28 6.681 -7.602 12.956 1093 1HD1 ILE 28 1HD1 ILE 28 5.901 -10.748 13.658 1094 2HD1 ILE 28 2HD1 ILE 28 6.849 -11.232 12.232 1095 3HD1 ILE 28 3HD1 ILE 28 7.185 -11.970 13.817 1096 H GLU 29 H GLU 29 7.366 -7.931 17.543 1097 HA GLU 29 HA GLU 29 6.145 -5.434 17.279 1098 1HB GLU 29 1HB GLU 29 6.061 -7.569 19.089 1099 2HB GLU 29 2HB GLU 29 6.726 -6.262 20.049 1100 1HG GLU 29 1HG GLU 29 4.516 -5.289 18.393 1101 2HG GLU 29 2HG GLU 29 4.002 -6.663 19.352 1102 H GLU 30 H GLU 30 9.203 -6.543 18.863 1103 HA GLU 30 HA GLU 30 9.875 -4.159 20.027 1104 1HB GLU 30 1HB GLU 30 11.281 -6.642 19.210 1105 2HB GLU 30 2HB GLU 30 12.327 -5.241 19.325 1106 1HG GLU 30 1HG GLU 30 10.476 -5.330 21.594 1107 2HG GLU 30 2HG GLU 30 11.364 -6.835 21.466 1108 H LEU 31 H LEU 31 10.250 -5.295 16.653 1109 HA LEU 31 HA LEU 31 11.983 -3.229 15.840 1110 1HB LEU 31 1HB LEU 31 10.664 -5.510 14.712 1111 2HB LEU 31 2HB LEU 31 10.415 -4.131 13.660 1112 HG LEU 31 HG LEU 31 12.353 -5.234 12.881 1113 1HD1 LEU 31 1HD1 LEU 31 12.426 -2.698 13.145 1114 2HD1 LEU 31 2HD1 LEU 31 13.515 -2.984 14.524 1115 3HD1 LEU 31 3HD1 LEU 31 13.977 -3.535 12.896 1116 1HD2 LEU 31 1HD2 LEU 31 13.574 -5.117 15.648 1117 2HD2 LEU 31 2HD2 LEU 31 12.738 -6.541 14.985 1118 3HD2 LEU 31 3HD2 LEU 31 14.215 -5.932 14.201 1119 H ILE 32 H ILE 32 8.390 -3.662 15.676 1120 HA ILE 32 HA ILE 32 7.949 -1.166 14.455 1121 HB ILE 32 HB ILE 32 6.132 -2.964 16.062 1122 1HG1 ILE 32 1HG1 ILE 32 6.307 -2.687 13.056 1123 2HG1 ILE 32 2HG1 ILE 32 7.243 -3.871 13.947 1124 1HG2 ILE 32 1HG2 ILE 32 5.198 -0.893 14.091 1125 2HG2 ILE 32 2HG2 ILE 32 4.292 -1.724 15.378 1126 3HG2 ILE 32 3HG2 ILE 32 5.486 -0.471 15.796 1127 1HD1 ILE 32 1HD1 ILE 32 4.200 -3.618 13.955 1128 2HD1 ILE 32 2HD1 ILE 32 5.153 -4.893 13.159 1129 3HD1 ILE 32 3HD1 ILE 32 5.123 -4.782 14.935 1130 H LYS 33 H LYS 33 7.884 -2.299 17.889 1131 HA LYS 33 HA LYS 33 7.019 0.053 19.031 1132 1HB LYS 33 1HB LYS 33 8.381 -2.401 19.891 1133 2HB LYS 33 2HB LYS 33 8.792 -1.009 20.873 1134 1HG LYS 33 1HG LYS 33 5.921 -1.781 20.175 1135 2HG LYS 33 2HG LYS 33 6.728 -2.302 21.641 1136 1HD LYS 33 1HD LYS 33 6.407 0.630 20.846 1137 2HD LYS 33 2HD LYS 33 5.288 -0.214 21.897 1138 1HE LYS 33 1HE LYS 33 7.701 -0.833 23.100 1139 2HE LYS 33 2HE LYS 33 8.046 0.763 22.464 1140 1HZ LYS 33 1HZ LYS 33 6.068 -0.020 24.435 1141 2HZ LYS 33 2HZ LYS 33 7.078 1.264 24.432 1142 3HZ LYS 33 3HZ LYS 33 5.740 1.276 23.496 1143 H GLY 34 H GLY 34 10.307 -0.947 17.966 1144 1HA GLY 34 1HA GLY 34 11.589 1.386 19.013 1145 2HA GLY 34 2HA GLY 34 12.256 0.199 17.910 1146 H TYR 35 H TYR 35 10.392 0.315 15.761 1147 HA TYR 35 HA TYR 35 11.378 2.256 14.171 1148 1HB TYR 35 1HB TYR 35 9.529 0.234 14.030 1149 2HB TYR 35 2HB TYR 35 8.412 1.582 14.089 1150 HD1 TYR 35 HD1 TYR 35 10.078 3.583 12.494 1151 HD2 TYR 35 HD2 TYR 35 9.146 -0.538 11.820 1152 HE1 TYR 35 HE1 TYR 35 10.361 3.921 9.990 1153 HE2 TYR 35 HE2 TYR 35 9.432 -0.186 9.319 1154 HH TYR 35 HH TYR 35 10.069 1.181 7.757 1155 H ALA 36 H ALA 36 8.525 2.524 16.372 1156 HA ALA 36 HA ALA 36 7.733 5.063 15.518 1157 1HB ALA 36 1HB ALA 36 6.631 5.095 17.820 1158 2HB ALA 36 2HB ALA 36 6.232 3.700 16.789 1159 3HB ALA 36 3HB ALA 36 7.407 3.520 18.115 1160 H ASN 37 H ASN 37 10.184 3.927 17.877 1161 HA ASN 37 HA ASN 37 10.620 6.483 18.953 1162 1HB ASN 37 1HB ASN 37 11.435 3.855 19.530 1163 2HB ASN 37 2HB ASN 37 12.928 4.617 19.020 1164 1HD2 ASN 37 1HD2 ASN 37 10.911 4.024 21.566 1165 2HD2 ASN 37 2HD2 ASN 37 11.425 5.240 22.688 1166 H LEU 38 H LEU 38 12.072 4.457 16.343 1167 HA LEU 38 HA LEU 38 14.317 6.013 15.834 1168 1HB LEU 38 1HB LEU 38 12.899 3.797 14.651 1169 2HB LEU 38 2HB LEU 38 13.445 4.900 13.404 1170 HG LEU 38 HG LEU 38 15.694 4.683 14.971 1171 1HD1 LEU 38 1HD1 LEU 38 16.047 2.316 15.441 1172 2HD1 LEU 38 2HD1 LEU 38 14.665 2.951 16.365 1173 3HD1 LEU 38 3HD1 LEU 38 14.384 1.950 14.920 1174 1HD2 LEU 38 1HD2 LEU 38 15.427 2.641 12.844 1175 2HD2 LEU 38 2HD2 LEU 38 15.053 4.316 12.373 1176 3HD2 LEU 38 3HD2 LEU 38 16.642 3.921 13.072 1177 H VAL 39 H VAL 39 10.975 6.148 14.446 1178 HA VAL 39 HA VAL 39 11.506 8.251 12.689 1179 HB VAL 39 HB VAL 39 8.967 7.342 14.055 1180 1HG1 VAL 39 1HG1 VAL 39 8.710 8.717 11.470 1181 2HG1 VAL 39 2HG1 VAL 39 7.766 8.900 12.968 1182 3HG1 VAL 39 3HG1 VAL 39 9.312 9.763 12.779 1183 1HG2 VAL 39 1HG2 VAL 39 10.572 6.153 12.037 1184 2HG2 VAL 39 2HG2 VAL 39 8.967 5.642 12.614 1185 3HG2 VAL 39 3HG2 VAL 39 9.102 6.767 11.242 1186 H ASN 40 H ASN 40 10.650 8.134 16.164 1187 HA ASN 40 HA ASN 40 10.015 10.814 16.417 1188 1HB ASN 40 1HB ASN 40 9.489 9.201 18.191 1189 2HB ASN 40 2HB ASN 40 11.180 8.794 18.398 1190 1HD2 ASN 40 1HD2 ASN 40 11.774 9.476 20.312 1191 2HD2 ASN 40 2HD2 ASN 40 11.525 11.053 20.984 1192 H LEU 41 H LEU 41 13.078 8.999 16.266 1193 HA LEU 41 HA LEU 41 14.648 11.203 17.248 1194 1HB LEU 41 1HB LEU 41 15.064 8.375 16.524 1195 2HB LEU 41 2HB LEU 41 16.416 9.435 16.178 1196 HG LEU 41 HG LEU 41 16.631 8.370 18.367 1197 1HD1 LEU 41 1HD1 LEU 41 16.539 10.739 19.694 1198 2HD1 LEU 41 2HD1 LEU 41 17.844 10.249 18.587 1199 3HD1 LEU 41 3HD1 LEU 41 16.530 11.298 18.004 1200 1HD2 LEU 41 1HD2 LEU 41 15.041 9.290 20.203 1201 2HD2 LEU 41 2HD2 LEU 41 13.933 9.607 18.846 1202 3HD2 LEU 41 3HD2 LEU 41 14.497 7.949 19.166 1203 H ILE 42 H ILE 42 14.266 9.427 14.100 1204 HA ILE 42 HA ILE 42 15.901 10.980 12.575 1205 HB ILE 42 HB ILE 42 13.301 9.607 11.905 1206 1HG1 ILE 42 1HG1 ILE 42 16.040 8.672 11.109 1207 2HG1 ILE 42 2HG1 ILE 42 15.491 8.404 12.752 1208 1HG2 ILE 42 1HG2 ILE 42 13.884 9.782 9.564 1209 2HG2 ILE 42 2HG2 ILE 42 13.765 11.409 10.276 1210 3HG2 ILE 42 3HG2 ILE 42 15.363 10.688 9.964 1211 1HD1 ILE 42 1HD1 ILE 42 13.304 7.706 11.038 1212 2HD1 ILE 42 2HD1 ILE 42 14.769 6.956 10.360 1213 3HD1 ILE 42 3HD1 ILE 42 14.295 6.621 12.043 1214 H GLU 43 H GLU 43 16.014 13.177 12.764 1215 HA GLU 43 HA GLU 43 13.903 14.799 13.390 1216 1HB GLU 43 1HB GLU 43 16.623 15.114 12.931 1217 2HB GLU 43 2HB GLU 43 15.928 16.034 11.612 1218 1HG GLU 43 1HG GLU 43 14.396 17.141 13.393 1219 2HG GLU 43 2HG GLU 43 15.445 16.416 14.595 1220 HA PRO 44 HA PRO 44 13.297 15.405 8.721 1221 1HB PRO 44 1HB PRO 44 14.580 13.761 6.955 1222 2HB PRO 44 2HB PRO 44 15.184 15.343 7.403 1223 1HG PRO 44 1HG PRO 44 16.150 12.682 8.252 1224 2HG PRO 44 2HG PRO 44 16.974 14.226 8.335 1225 1HD PRO 44 1HD PRO 44 15.736 12.822 10.508 1226 2HD PRO 44 2HD PRO 44 16.457 14.418 10.567 1227 H MET 45 H MET 45 11.238 14.753 9.373 1228 HA MET 45 HA MET 45 10.294 12.625 7.858 1229 1HB MET 45 1HB MET 45 11.575 11.637 10.061 1230 2HB MET 45 2HB MET 45 10.016 11.961 10.794 1231 1HG MET 45 1HG MET 45 9.525 9.848 10.014 1232 2HG MET 45 2HG MET 45 9.159 10.709 8.532 1233 1HE MET 45 1HE MET 45 10.929 7.475 9.450 1234 2HE MET 45 2HE MET 45 9.533 7.947 8.452 1235 3HE MET 45 3HE MET 45 11.011 7.328 7.678 1236 H LYS 46 H LYS 46 8.133 13.013 7.504 1237 HA LYS 46 HA LYS 46 6.929 15.166 8.942 1238 1HB LYS 46 1HB LYS 46 6.678 14.032 6.399 1239 2HB LYS 46 2HB LYS 46 5.159 13.655 7.186 1240 1HG LYS 46 1HG LYS 46 4.511 15.779 6.706 1241 2HG LYS 46 2HG LYS 46 5.616 16.309 7.958 1242 1HD LYS 46 1HD LYS 46 6.591 17.506 6.264 1243 2HD LYS 46 2HD LYS 46 7.384 15.989 5.890 1244 1HE LYS 46 1HE LYS 46 6.362 15.948 3.867 1245 2HE LYS 46 2HE LYS 46 4.798 15.883 4.654 1246 1HZ LYS 46 1HZ LYS 46 5.689 17.922 3.172 1247 2HZ LYS 46 2HZ LYS 46 4.462 18.022 4.245 1248 3HZ LYS 46 3HZ LYS 46 5.968 18.481 4.680 1249 H ALA 47 H ALA 47 6.017 11.682 8.421 1250 HA ALA 47 HA ALA 47 5.414 11.331 11.162 1251 1HB ALA 47 1HB ALA 47 2.901 10.891 10.642 1252 2HB ALA 47 2HB ALA 47 3.435 12.574 10.869 1253 3HB ALA 47 3HB ALA 47 3.167 11.939 9.228 1254 H PHE 48 H PHE 48 5.091 9.106 11.638 1255 HA PHE 48 HA PHE 48 5.659 7.391 9.343 1256 1HB PHE 48 1HB PHE 48 7.165 7.425 11.386 1257 2HB PHE 48 2HB PHE 48 5.792 7.019 12.397 1258 HD1 PHE 48 HD1 PHE 48 7.412 5.680 9.300 1259 HD2 PHE 48 HD2 PHE 48 5.671 4.829 13.075 1260 HE1 PHE 48 HE1 PHE 48 7.890 3.238 8.970 1261 HE2 PHE 48 HE2 PHE 48 6.149 2.388 12.745 1262 HZ PHE 48 HZ PHE 48 7.253 1.621 10.697 1263 H HIS 49 H HIS 49 3.951 6.352 8.438 1264 HA HIS 49 HA HIS 49 1.674 5.797 10.181 1265 1HB HIS 49 1HB HIS 49 1.958 6.740 7.456 1266 2HB HIS 49 2HB HIS 49 0.991 5.279 7.496 1267 HD1 HIS 49 HD1 HIS 49 0.247 8.561 7.197 1268 HD2 HIS 49 HD2 HIS 49 -0.777 5.826 10.208 1269 HE1 HIS 49 HE1 HIS 49 -1.835 9.498 8.336 1270 HE2 HIS 49 HE2 HIS 49 -2.448 7.748 10.141 1271 H TRP 50 H TRP 50 0.965 3.702 10.542 1272 HA TRP 50 HA TRP 50 2.154 1.571 8.965 1273 1HB TRP 50 1HB TRP 50 3.306 0.524 10.611 1274 2HB TRP 50 2HB TRP 50 3.587 2.193 11.066 1275 HD1 TRP 50 HD1 TRP 50 2.266 3.078 13.309 1276 HE1 TRP 50 HE1 TRP 50 1.214 1.873 15.408 1277 HE3 TRP 50 HE3 TRP 50 2.103 -1.557 11.225 1278 HZ2 TRP 50 HZ2 TRP 50 0.449 -0.823 15.949 1279 HZ3 TRP 50 HZ3 TRP 50 1.190 -3.420 12.606 1280 HH2 TRP 50 HH2 TRP 50 0.380 -3.111 14.892 1281 H GLY 51 H GLY 51 1.074 -0.604 9.775 1282 1HA GLY 51 1HA GLY 51 -1.214 -0.705 11.291 1283 2HA GLY 51 2HA GLY 51 -1.752 -0.188 9.706 1284 H LYS 52 H LYS 52 -2.675 -2.614 10.613 1285 HA LYS 52 HA LYS 52 -0.991 -4.565 9.207 1286 1HB LYS 52 1HB LYS 52 -1.216 -5.172 11.508 1287 2HB LYS 52 2HB LYS 52 -2.944 -4.880 11.497 1288 1HG LYS 52 1HG LYS 52 -3.126 -6.713 9.697 1289 2HG LYS 52 2HG LYS 52 -1.445 -7.089 10.021 1290 1HD LYS 52 1HD LYS 52 -2.287 -7.170 12.564 1291 2HD LYS 52 2HD LYS 52 -3.849 -7.444 11.817 1292 1HE LYS 52 1HE LYS 52 -2.986 -9.406 10.604 1293 2HE LYS 52 2HE LYS 52 -1.357 -9.088 11.166 1294 1HZ LYS 52 1HZ LYS 52 -2.720 -9.185 13.449 1295 2HZ LYS 52 2HZ LYS 52 -3.548 -10.277 12.561 1296 3HZ LYS 52 3HZ LYS 52 -1.942 -10.461 12.793 1297 H ASP 53 H ASP 53 -1.881 -5.819 7.553 1298 HA ASP 53 HA ASP 53 -4.123 -4.627 6.307 1299 1HB ASP 53 1HB ASP 53 -3.759 -6.437 4.591 1300 2HB ASP 53 2HB ASP 53 -2.321 -5.492 4.926 1301 H VAL 54 H VAL 54 -6.195 -5.714 5.871 1302 HA VAL 54 HA VAL 54 -6.757 -7.848 7.803 1303 HB VAL 54 HB VAL 54 -9.140 -7.108 7.415 1304 1HG1 VAL 54 1HG1 VAL 54 -7.611 -6.451 9.359 1305 2HG1 VAL 54 2HG1 VAL 54 -7.405 -4.892 8.526 1306 3HG1 VAL 54 3HG1 VAL 54 -9.023 -5.410 9.056 1307 1HG2 VAL 54 1HG2 VAL 54 -9.662 -5.124 6.304 1308 2HG2 VAL 54 2HG2 VAL 54 -7.981 -4.541 6.341 1309 3HG2 VAL 54 3HG2 VAL 54 -8.440 -5.864 5.242 1310 H SER 55 H SER 55 -6.896 -9.868 6.991 1311 HA SER 55 HA SER 55 -7.865 -10.075 4.249 1312 1HB SER 55 1HB SER 55 -5.286 -10.622 4.954 1313 2HB SER 55 2HB SER 55 -6.005 -12.189 5.263 1314 HG SER 55 HG SER 55 -6.985 -11.365 2.892 1315 H ILE 56 H ILE 56 -8.042 -12.893 4.100 1316 HA ILE 56 HA ILE 56 -10.094 -13.380 6.132 1317 HB ILE 56 HB ILE 56 -10.757 -13.331 3.743 1318 1HG1 ILE 56 1HG1 ILE 56 -11.593 -15.959 4.028 1319 2HG1 ILE 56 2HG1 ILE 56 -11.264 -15.473 5.679 1320 1HG2 ILE 56 1HG2 ILE 56 -9.901 -15.919 2.935 1321 2HG2 ILE 56 2HG2 ILE 56 -9.544 -14.342 2.190 1322 3HG2 ILE 56 3HG2 ILE 56 -8.462 -15.001 3.440 1323 1HD1 ILE 56 1HD1 ILE 56 -13.415 -14.598 3.867 1324 2HD1 ILE 56 2HD1 ILE 56 -13.319 -14.500 5.641 1325 3HD1 ILE 56 3HD1 ILE 56 -12.570 -13.234 4.638 1326 H GLU 57 H GLU 57 -6.859 -13.940 5.574 1327 HA GLU 57 HA GLU 57 -5.511 -15.204 6.795 1328 1HB GLU 57 1HB GLU 57 -7.709 -15.727 8.223 1329 2HB GLU 57 2HB GLU 57 -7.593 -17.290 7.439 1330 1HG GLU 57 1HG GLU 57 -4.966 -16.426 8.409 1331 2HG GLU 57 2HG GLU 57 -6.140 -16.407 9.710 1332 H ASN 58 H ASN 58 -8.006 -16.822 4.766 1333 HA ASN 58 HA ASN 58 -5.988 -18.703 3.893 1334 1HB ASN 58 1HB ASN 58 -8.625 -19.104 4.478 1335 2HB ASN 58 2HB ASN 58 -8.788 -18.731 2.773 1336 1HD2 ASN 58 1HD2 ASN 58 -9.318 -21.214 4.080 1337 2HD2 ASN 58 2HD2 ASN 58 -8.283 -22.426 3.403 1338 H LEU 59 H LEU 59 -5.572 -15.977 3.128 1339 HA LEU 59 HA LEU 59 -5.423 -16.224 0.333 1340 1HB LEU 59 1HB LEU 59 -7.882 -15.141 1.350 1341 2HB LEU 59 2HB LEU 59 -7.004 -13.889 0.495 1342 HG LEU 59 HG LEU 59 -7.371 -16.583 -0.787 1343 1HD1 LEU 59 1HD1 LEU 59 -9.413 -14.638 -1.550 1344 2HD1 LEU 59 2HD1 LEU 59 -9.557 -16.370 -1.167 1345 3HD1 LEU 59 3HD1 LEU 59 -9.555 -15.166 0.144 1346 1HD2 LEU 59 1HD2 LEU 59 -6.715 -15.578 -2.693 1347 2HD2 LEU 59 2HD2 LEU 59 -7.575 -14.064 -2.324 1348 3HD2 LEU 59 3HD2 LEU 59 -5.993 -14.393 -1.578 1349 H HIS 60 H HIS 60 -3.243 -15.748 0.703 1350 HA HIS 60 HA HIS 60 -2.662 -12.988 0.867 1351 1HB HIS 60 1HB HIS 60 -1.477 -12.866 2.913 1352 2HB HIS 60 2HB HIS 60 -3.055 -13.533 3.280 1353 HD1 HIS 60 HD1 HIS 60 0.600 -14.402 3.237 1354 HD2 HIS 60 HD2 HIS 60 -3.060 -16.243 4.141 1355 HE1 HIS 60 HE1 HIS 60 1.172 -16.568 4.459 1356 HE2 HIS 60 HE2 HIS 60 -1.117 -17.627 5.037 1357 H GLN 61 H GLN 61 -0.408 -12.558 0.324 1358 HA GLN 61 HA GLN 61 0.787 -14.916 -0.890 1359 1HB GLN 61 1HB GLN 61 1.182 -11.954 -1.500 1360 2HB GLN 61 2HB GLN 61 2.034 -13.253 -2.311 1361 1HG GLN 61 1HG GLN 61 -0.998 -12.870 -2.279 1362 2HG GLN 61 2HG GLN 61 0.059 -12.499 -3.626 1363 1HE2 GLN 61 1HE2 GLN 61 -2.186 -14.496 -2.995 1364 2HE2 GLN 61 2HE2 GLN 61 -1.601 -16.017 -3.582 1365 H GLY 62 H GLY 62 1.017 -12.867 1.811 1366 1HA GLY 62 1HA GLY 62 2.692 -13.547 3.435 1367 2HA GLY 62 2HA GLY 62 3.878 -13.544 2.145 1368 H TYR 63 H TYR 63 1.279 -11.094 2.457 1369 HA TYR 63 HA TYR 63 3.175 -8.987 2.329 1370 1HB TYR 63 1HB TYR 63 0.175 -9.346 2.877 1371 2HB TYR 63 2HB TYR 63 0.891 -7.747 2.918 1372 HD1 TYR 63 HD1 TYR 63 1.712 -6.678 0.860 1373 HD2 TYR 63 HD2 TYR 63 -0.118 -10.544 0.771 1374 HE1 TYR 63 HE1 TYR 63 1.422 -6.491 -1.659 1375 HE2 TYR 63 HE2 TYR 63 -0.401 -10.344 -1.747 1376 HH TYR 63 HH TYR 63 0.776 -7.466 -3.471 1377 H THR 64 H THR 64 1.173 -10.466 4.940 1378 HA THR 64 HA THR 64 1.249 -10.265 7.153 1379 HB THR 64 HB THR 64 3.418 -10.263 8.112 1380 HG1 THR 64 HG1 THR 64 4.861 -8.661 7.463 1381 1HG2 THR 64 1HG2 THR 64 4.952 -11.329 6.569 1382 2HG2 THR 64 2HG2 THR 64 3.326 -11.854 6.071 1383 3HG2 THR 64 3HG2 THR 64 4.164 -10.572 5.164 1384 H HIS 65 H HIS 65 3.122 -7.375 5.999 1385 HA HIS 65 HA HIS 65 0.975 -5.688 6.864 1386 1HB HIS 65 1HB HIS 65 3.634 -5.640 8.318 1387 2HB HIS 65 2HB HIS 65 2.430 -4.371 8.419 1388 HD1 HIS 65 HD1 HIS 65 2.704 -8.129 9.124 1389 HD2 HIS 65 HD2 HIS 65 0.577 -4.747 10.402 1390 HE1 HIS 65 HE1 HIS 65 1.295 -8.881 11.113 1391 HE2 HIS 65 HE2 HIS 65 0.052 -6.748 11.890 1392 H ILE 66 H ILE 66 2.148 -3.221 6.792 1393 HA ILE 66 HA ILE 66 3.990 -3.122 4.575 1394 HB ILE 66 HB ILE 66 2.576 -1.812 3.139 1395 1HG1 ILE 66 1HG1 ILE 66 -0.027 -2.065 3.942 1396 2HG1 ILE 66 2HG1 ILE 66 0.774 -1.810 5.480 1397 1HG2 ILE 66 1HG2 ILE 66 1.052 -3.542 2.373 1398 2HG2 ILE 66 2HG2 ILE 66 2.606 -4.257 2.867 1399 3HG2 ILE 66 3HG2 ILE 66 1.187 -4.386 3.935 1400 1HD1 ILE 66 1HD1 ILE 66 1.954 0.020 3.608 1401 2HD1 ILE 66 2HD1 ILE 66 0.186 0.127 3.431 1402 3HD1 ILE 66 3HD1 ILE 66 0.939 0.397 5.021 1403 H PHE 67 H PHE 67 5.298 -1.330 4.716 1404 HA PHE 67 HA PHE 67 4.670 0.459 6.939 1405 1HB PHE 67 1HB PHE 67 7.186 -0.251 5.321 1406 2HB PHE 67 2HB PHE 67 7.187 1.005 6.542 1407 HD1 PHE 67 HD1 PHE 67 5.621 -0.176 8.707 1408 HD2 PHE 67 HD2 PHE 67 8.486 -1.978 6.147 1409 HE1 PHE 67 HE1 PHE 67 6.118 -1.892 10.471 1410 HE2 PHE 67 HE2 PHE 67 8.983 -3.693 7.911 1411 HZ PHE 67 HZ PHE 67 7.793 -3.630 10.052 1412 H GLU 68 H GLU 68 4.072 2.546 6.570 1413 HA GLU 68 HA GLU 68 4.697 3.595 3.920 1414 1HB GLU 68 1HB GLU 68 2.263 3.026 4.202 1415 2HB GLU 68 2HB GLU 68 2.175 4.147 5.546 1416 1HG GLU 68 1HG GLU 68 3.352 5.712 3.563 1417 2HG GLU 68 2HG GLU 68 2.266 4.700 2.631 1418 H SER 69 H SER 69 6.198 5.196 4.127 1419 HA SER 69 HA SER 69 6.022 6.809 6.550 1420 1HB SER 69 1HB SER 69 8.524 7.348 5.569 1421 2HB SER 69 2HB SER 69 8.181 6.111 6.762 1422 HG SER 69 HG SER 69 9.306 5.028 5.184 1423 H THR 70 H THR 70 5.639 9.006 6.321 1424 HA THR 70 HA THR 70 5.261 9.975 3.604 1425 HB THR 70 HB THR 70 4.133 11.858 4.833 1426 HG1 THR 70 HG1 THR 70 4.081 11.459 7.231 1427 1HG2 THR 70 1HG2 THR 70 2.335 10.572 5.930 1428 2HG2 THR 70 2HG2 THR 70 2.812 9.730 4.436 1429 3HG2 THR 70 3HG2 THR 70 3.380 9.134 6.014 1430 H PHE 71 H PHE 71 6.650 11.216 2.511 1431 HA PHE 71 HA PHE 71 8.709 12.574 4.100 1432 1HB PHE 71 1HB PHE 71 8.827 10.975 1.480 1433 2HB PHE 71 2HB PHE 71 10.122 12.061 1.943 1434 HD1 PHE 71 HD1 PHE 71 9.116 8.751 1.986 1435 HD2 PHE 71 HD2 PHE 71 10.956 11.648 4.481 1436 HE1 PHE 71 HE1 PHE 71 10.170 6.917 3.338 1437 HE2 PHE 71 HE2 PHE 71 12.010 9.815 5.833 1438 HZ PHE 71 HZ PHE 71 11.605 7.471 5.245 1439 H GLU 72 H GLU 72 9.874 14.303 2.634 1440 HA GLU 72 HA GLU 72 7.803 16.006 1.735 1441 1HB GLU 72 1HB GLU 72 10.076 16.581 2.920 1442 2HB GLU 72 2HB GLU 72 10.762 16.513 1.309 1443 1HG GLU 72 1HG GLU 72 10.134 18.704 1.159 1444 2HG GLU 72 2HG GLU 72 8.530 18.070 0.849 1445 H SER 73 H SER 73 10.564 14.250 0.179 1446 HA SER 73 HA SER 73 9.084 13.870 -2.160 1447 1HB SER 73 1HB SER 73 11.129 15.247 -3.423 1448 2HB SER 73 2HB SER 73 9.494 15.840 -3.207 1449 HG SER 73 HG SER 73 11.766 16.881 -2.210 1450 H LYS 74 H LYS 74 10.744 13.010 -3.991 1451 HA LYS 74 HA LYS 74 11.968 10.789 -3.028 1452 1HB LYS 74 1HB LYS 74 12.969 10.560 -5.180 1453 2HB LYS 74 2HB LYS 74 11.401 11.308 -5.406 1454 1HG LYS 74 1HG LYS 74 13.632 13.238 -4.985 1455 2HG LYS 74 2HG LYS 74 13.772 12.281 -6.446 1456 1HD LYS 74 1HD LYS 74 11.292 13.881 -5.651 1457 2HD LYS 74 2HD LYS 74 12.503 14.426 -6.794 1458 1HE LYS 74 1HE LYS 74 11.325 13.371 -8.424 1459 2HE LYS 74 2HE LYS 74 11.827 11.848 -7.716 1460 1HZ LYS 74 1HZ LYS 74 9.694 11.537 -7.313 1461 2HZ LYS 74 2HZ LYS 74 9.777 12.682 -6.152 1462 3HZ LYS 74 3HZ LYS 74 9.287 13.080 -7.658 1463 H GLU 75 H GLU 75 13.132 14.125 -3.002 1464 HA GLU 75 HA GLU 75 15.830 13.587 -2.729 1465 1HB GLU 75 1HB GLU 75 14.282 15.906 -1.494 1466 2HB GLU 75 2HB GLU 75 15.996 15.878 -1.859 1467 1HG GLU 75 1HG GLU 75 14.979 15.215 -4.321 1468 2HG GLU 75 2HG GLU 75 13.666 16.201 -3.707 1469 H ALA 76 H ALA 76 13.197 13.949 -0.272 1470 HA ALA 76 HA ALA 76 14.890 13.653 1.954 1471 1HB ALA 76 1HB ALA 76 11.975 12.856 1.900 1472 2HB ALA 76 2HB ALA 76 12.897 13.666 3.190 1473 3HB ALA 76 3HB ALA 76 12.450 14.562 1.719 1474 H VAL 77 H VAL 77 13.002 11.354 -0.081 1475 HA VAL 77 HA VAL 77 13.262 9.099 1.458 1476 HB VAL 77 HB VAL 77 13.254 9.489 -1.537 1477 1HG1 VAL 77 1HG1 VAL 77 14.097 7.338 -1.423 1478 2HG1 VAL 77 2HG1 VAL 77 13.277 6.980 0.116 1479 3HG1 VAL 77 3HG1 VAL 77 12.345 7.027 -1.400 1480 1HG2 VAL 77 1HG2 VAL 77 11.273 10.277 -0.177 1481 2HG2 VAL 77 2HG2 VAL 77 10.908 9.057 -1.421 1482 3HG2 VAL 77 3HG2 VAL 77 11.013 8.579 0.290 1483 H ALA 78 H ALA 78 15.623 10.665 -0.754 1484 HA ALA 78 HA ALA 78 17.504 8.557 -0.607 1485 1HB ALA 78 1HB ALA 78 18.139 9.802 -2.377 1486 2HB ALA 78 2HB ALA 78 17.233 11.220 -1.797 1487 3HB ALA 78 3HB ALA 78 18.882 10.914 -1.202 1488 H GLU 79 H GLU 79 17.007 11.658 1.179 1489 HA GLU 79 HA GLU 79 19.338 11.503 2.653 1490 1HB GLU 79 1HB GLU 79 16.956 13.136 2.561 1491 2HB GLU 79 2HB GLU 79 17.293 12.751 4.237 1492 1HG GLU 79 1HG GLU 79 19.833 13.342 3.291 1493 2HG GLU 79 2HG GLU 79 18.846 14.428 2.333 1494 H TYR 80 H TYR 80 16.130 9.989 3.070 1495 HA TYR 80 HA TYR 80 16.616 9.133 5.744 1496 1HB TYR 80 1HB TYR 80 14.374 9.507 4.559 1497 2HB TYR 80 2HB TYR 80 14.748 8.173 3.486 1498 HD1 TYR 80 HD1 TYR 80 14.602 8.824 7.187 1499 HD2 TYR 80 HD2 TYR 80 13.750 6.140 3.967 1500 HE1 TYR 80 HE1 TYR 80 13.519 7.201 8.817 1501 HE2 TYR 80 HE2 TYR 80 12.670 4.526 5.608 1502 HH TYR 80 HH TYR 80 11.493 5.108 8.193 1503 H ILE 81 H ILE 81 17.057 7.745 2.460 1504 HA ILE 81 HA ILE 81 17.619 5.135 3.423 1505 HB ILE 81 HB ILE 81 17.971 6.542 0.788 1506 1HG1 ILE 81 1HG1 ILE 81 16.179 4.225 1.555 1507 2HG1 ILE 81 2HG1 ILE 81 15.679 5.902 1.645 1508 1HG2 ILE 81 1HG2 ILE 81 19.718 5.073 0.560 1509 2HG2 ILE 81 2HG2 ILE 81 18.999 3.867 1.655 1510 3HG2 ILE 81 3HG2 ILE 81 18.362 4.062 0.004 1511 1HD1 ILE 81 1HD1 ILE 81 15.171 5.852 -0.558 1512 2HD1 ILE 81 2HD1 ILE 81 16.884 5.542 -0.931 1513 3HD1 ILE 81 3HD1 ILE 81 15.769 4.179 -0.669 1514 H ALA 82 H ALA 82 19.436 8.133 3.018 1515 HA ALA 82 HA ALA 82 21.985 6.805 3.120 1516 1HB ALA 82 1HB ALA 82 22.787 8.832 2.483 1517 2HB ALA 82 2HB ALA 82 21.080 9.213 2.153 1518 3HB ALA 82 3HB ALA 82 21.819 9.705 3.695 1519 H HIS 83 H HIS 83 19.573 8.098 5.343 1520 HA HIS 83 HA HIS 83 21.144 8.720 7.502 1521 1HB HIS 83 1HB HIS 83 18.467 8.633 6.958 1522 2HB HIS 83 2HB HIS 83 18.612 7.315 8.103 1523 HD1 HIS 83 HD1 HIS 83 19.510 7.929 10.540 1524 HD2 HIS 83 HD2 HIS 83 18.685 11.197 8.043 1525 HE1 HIS 83 HE1 HIS 83 19.413 9.980 12.055 1526 HE2 HIS 83 HE2 HIS 83 18.958 11.964 10.457 1527 HA PRO 84 HA PRO 84 22.795 4.857 8.606 1528 1HB PRO 84 1HB PRO 84 24.008 5.580 10.945 1529 2HB PRO 84 2HB PRO 84 24.736 5.831 9.371 1530 1HG PRO 84 1HG PRO 84 23.479 7.813 11.169 1531 2HG PRO 84 2HG PRO 84 24.568 8.086 9.823 1532 1HD PRO 84 1HD PRO 84 21.727 8.483 9.840 1533 2HD PRO 84 2HD PRO 84 22.800 8.644 8.464 1534 H ALA 85 H ALA 85 20.902 6.677 10.910 1535 HA ALA 85 HA ALA 85 20.474 4.622 12.720 1536 1HB ALA 85 1HB ALA 85 18.182 6.417 12.243 1537 2HB ALA 85 2HB ALA 85 19.164 6.182 13.709 1538 3HB ALA 85 3HB ALA 85 19.734 7.269 12.420 1539 H HIS 86 H HIS 86 18.836 5.456 9.624 1540 HA HIS 86 HA HIS 86 16.848 3.457 9.969 1541 1HB HIS 86 1HB HIS 86 16.025 5.050 8.592 1542 2HB HIS 86 2HB HIS 86 17.597 5.476 7.947 1543 HD1 HIS 86 HD1 HIS 86 14.513 3.854 7.002 1544 HD2 HIS 86 HD2 HIS 86 18.558 3.363 6.006 1545 HE1 HIS 86 HE1 HIS 86 14.556 2.540 4.815 1546 HE2 HIS 86 HE2 HIS 86 17.065 2.317 4.225 1547 H VAL 87 H VAL 87 20.032 3.713 8.329 1548 HA VAL 87 HA VAL 87 19.873 1.336 6.886 1549 HB VAL 87 HB VAL 87 22.034 3.126 7.905 1550 1HG1 VAL 87 1HG1 VAL 87 23.076 1.008 8.294 1551 2HG1 VAL 87 2HG1 VAL 87 22.488 0.362 6.743 1552 3HG1 VAL 87 3HG1 VAL 87 23.726 1.641 6.763 1553 1HG2 VAL 87 1HG2 VAL 87 21.254 2.132 5.142 1554 2HG2 VAL 87 2HG2 VAL 87 20.838 3.710 5.854 1555 3HG2 VAL 87 3HG2 VAL 87 22.536 3.315 5.498 1556 H GLU 88 H GLU 88 20.752 2.049 10.291 1557 HA GLU 88 HA GLU 88 21.780 -0.472 10.842 1558 1HB GLU 88 1HB GLU 88 21.758 1.836 12.192 1559 2HB GLU 88 2HB GLU 88 20.353 1.127 12.963 1560 1HG GLU 88 1HG GLU 88 22.024 0.308 14.361 1561 2HG GLU 88 2HG GLU 88 21.931 -1.009 13.209 1562 H PHE 89 H PHE 89 18.458 0.905 10.994 1563 HA PHE 89 HA PHE 89 17.359 -1.438 12.182 1564 1HB PHE 89 1HB PHE 89 16.664 1.252 11.712 1565 2HB PHE 89 2HB PHE 89 15.643 0.408 10.563 1566 HD1 PHE 89 HD1 PHE 89 13.494 0.208 11.348 1567 HD2 PHE 89 HD2 PHE 89 16.698 -0.289 14.085 1568 HE1 PHE 89 HE1 PHE 89 11.852 -0.298 13.178 1569 HE2 PHE 89 HE2 PHE 89 15.057 -0.795 15.915 1570 HZ PHE 89 HZ PHE 89 12.653 -0.794 15.439 1571 H ALA 90 H ALA 90 17.876 -0.204 8.870 1572 HA ALA 90 HA ALA 90 16.125 -2.101 7.662 1573 1HB ALA 90 1HB ALA 90 16.362 -0.452 6.138 1574 2HB ALA 90 2HB ALA 90 17.870 0.130 6.884 1575 3HB ALA 90 3HB ALA 90 17.915 -1.217 5.722 1576 H THR 91 H THR 91 19.648 -1.858 8.366 1577 HA THR 91 HA THR 91 20.366 -4.181 6.932 1578 HB THR 91 HB THR 91 21.657 -2.662 9.258 1579 HG1 THR 91 HG1 THR 91 22.762 -1.720 7.390 1580 1HG2 THR 91 1HG2 THR 91 23.788 -3.641 8.287 1581 2HG2 THR 91 2HG2 THR 91 22.748 -4.865 9.054 1582 3HG2 THR 91 3HG2 THR 91 22.784 -4.713 7.281 1583 H ILE 92 H ILE 92 19.138 -3.615 10.237 1584 HA ILE 92 HA ILE 92 19.748 -6.230 11.135 1585 HB ILE 92 HB ILE 92 18.136 -3.916 12.109 1586 1HG1 ILE 92 1HG1 ILE 92 20.205 -5.517 13.605 1587 2HG1 ILE 92 2HG1 ILE 92 20.685 -4.330 12.409 1588 1HG2 ILE 92 1HG2 ILE 92 17.643 -5.409 14.165 1589 2HG2 ILE 92 2HG2 ILE 92 16.594 -5.537 12.733 1590 3HG2 ILE 92 3HG2 ILE 92 17.848 -6.765 13.031 1591 1HD1 ILE 92 1HD1 ILE 92 19.407 -3.927 15.083 1592 2HD1 ILE 92 2HD1 ILE 92 20.594 -2.916 14.225 1593 3HD1 ILE 92 3HD1 ILE 92 18.872 -2.835 13.782 1594 H PHE 93 H PHE 93 16.960 -4.669 9.511 1595 HA PHE 93 HA PHE 93 15.207 -6.842 9.863 1596 1HB PHE 93 1HB PHE 93 14.246 -4.731 9.270 1597 2HB PHE 93 2HB PHE 93 15.513 -4.376 8.113 1598 HD1 PHE 93 HD1 PHE 93 12.474 -6.414 8.654 1599 HD2 PHE 93 HD2 PHE 93 15.258 -4.913 5.825 1600 HE1 PHE 93 HE1 PHE 93 10.978 -7.165 6.784 1601 HE2 PHE 93 HE2 PHE 93 13.761 -5.663 3.955 1602 HZ PHE 93 HZ PHE 93 11.640 -6.780 4.457 1603 H LEU 94 H LEU 94 17.440 -5.850 7.192 1604 HA LEU 94 HA LEU 94 16.673 -7.817 5.389 1605 1HB LEU 94 1HB LEU 94 19.213 -6.258 5.806 1606 2HB LEU 94 2HB LEU 94 19.061 -7.441 4.522 1607 HG LEU 94 HG LEU 94 17.199 -5.075 4.860 1608 1HD1 LEU 94 1HD1 LEU 94 19.333 -4.132 4.444 1609 2HD1 LEU 94 2HD1 LEU 94 19.721 -5.361 3.217 1610 3HD1 LEU 94 3HD1 LEU 94 18.471 -4.138 2.887 1611 1HD2 LEU 94 1HD2 LEU 94 17.091 -5.774 2.238 1612 2HD2 LEU 94 2HD2 LEU 94 17.329 -7.364 3.000 1613 3HD2 LEU 94 3HD2 LEU 94 15.954 -6.343 3.483 1614 H GLY 95 H GLY 95 18.593 -7.956 8.344 1615 1HA GLY 95 1HA GLY 95 20.086 -10.267 7.859 1616 2HA GLY 95 2HA GLY 95 19.569 -9.668 9.423 1617 H SER 96 H SER 96 16.634 -9.774 8.587 1618 HA SER 96 HA SER 96 16.294 -12.627 8.287 1619 1HB SER 96 1HB SER 96 15.781 -11.087 10.770 1620 2HB SER 96 2HB SER 96 14.418 -12.060 10.253 1621 HG SER 96 HG SER 96 16.360 -12.975 11.665 1622 H LEU 97 H LEU 97 15.761 -11.189 6.176 1623 HA LEU 97 HA LEU 97 12.906 -10.512 6.349 1624 1HB LEU 97 1HB LEU 97 13.255 -8.600 5.299 1625 2HB LEU 97 2HB LEU 97 14.944 -8.809 5.720 1626 HG LEU 97 HG LEU 97 14.749 -8.196 3.397 1627 1HD1 LEU 97 1HD1 LEU 97 16.533 -9.451 3.011 1628 2HD1 LEU 97 2HD1 LEU 97 16.057 -10.549 4.329 1629 3HD1 LEU 97 3HD1 LEU 97 15.488 -10.850 2.669 1630 1HD2 LEU 97 1HD2 LEU 97 13.139 -8.884 2.029 1631 2HD2 LEU 97 2HD2 LEU 97 13.523 -10.597 2.326 1632 3HD2 LEU 97 3HD2 LEU 97 12.417 -9.730 3.418 1633 H ASP 98 H ASP 98 11.511 -11.489 4.902 1634 HA ASP 98 HA ASP 98 12.682 -13.686 3.468 1635 1HB ASP 98 1HB ASP 98 10.571 -13.849 4.906 1636 2HB ASP 98 2HB ASP 98 9.749 -12.873 3.705 1637 H LYS 99 H LYS 99 10.340 -10.949 2.878 1638 HA LYS 99 HA LYS 99 11.504 -10.532 0.269 1639 1HB LYS 99 1HB LYS 99 8.611 -11.380 0.592 1640 2HB LYS 99 2HB LYS 99 9.277 -10.668 -0.864 1641 1HG LYS 99 1HG LYS 99 11.087 -12.580 -0.690 1642 2HG LYS 99 2HG LYS 99 9.946 -13.348 0.396 1643 1HD LYS 99 1HD LYS 99 9.288 -12.435 -2.445 1644 2HD LYS 99 2HD LYS 99 9.678 -14.084 -1.996 1645 1HE LYS 99 1HE LYS 99 7.638 -13.268 -0.181 1646 2HE LYS 99 2HE LYS 99 7.135 -12.666 -1.748 1647 1HZ LYS 99 1HZ LYS 99 6.448 -14.959 -1.272 1648 2HZ LYS 99 2HZ LYS 99 7.326 -14.833 -2.643 1649 3HZ LYS 99 3HZ LYS 99 8.011 -15.430 -1.286 1650 H VAL 100 H VAL 100 11.007 -8.424 -0.584 1651 HA VAL 100 HA VAL 100 9.299 -6.719 0.990 1652 HB VAL 100 HB VAL 100 11.195 -6.516 2.357 1653 1HG1 VAL 100 1HG1 VAL 100 13.311 -6.891 1.725 1654 2HG1 VAL 100 2HG1 VAL 100 12.650 -7.345 0.136 1655 3HG1 VAL 100 3HG1 VAL 100 13.219 -5.682 0.421 1656 1HG2 VAL 100 1HG2 VAL 100 10.409 -4.323 0.651 1657 2HG2 VAL 100 2HG2 VAL 100 10.871 -4.309 2.370 1658 3HG2 VAL 100 3HG2 VAL 100 12.120 -4.156 1.111 1659 H LEU 101 H LEU 101 8.385 -5.164 -0.304 1660 HA LEU 101 HA LEU 101 9.694 -4.688 -2.883 1661 1HB LEU 101 1HB LEU 101 6.787 -5.349 -2.406 1662 2HB LEU 101 2HB LEU 101 7.403 -4.667 -3.898 1663 HG LEU 101 HG LEU 101 7.209 -6.963 -4.313 1664 1HD1 LEU 101 1HD1 LEU 101 10.068 -7.171 -3.594 1665 2HD1 LEU 101 2HD1 LEU 101 9.251 -7.379 -5.162 1666 3HD1 LEU 101 3HD1 LEU 101 9.619 -5.745 -4.560 1667 1HD2 LEU 101 1HD2 LEU 101 7.284 -8.596 -2.792 1668 2HD2 LEU 101 2HD2 LEU 101 8.863 -8.067 -2.163 1669 3HD2 LEU 101 3HD2 LEU 101 7.369 -7.291 -1.584 1670 H VAL 102 H VAL 102 9.880 -2.556 -3.405 1671 HA VAL 102 HA VAL 102 8.635 -0.687 -1.536 1672 HB VAL 102 HB VAL 102 10.867 -0.310 -3.543 1673 1HG1 VAL 102 1HG1 VAL 102 11.291 1.804 -2.425 1674 2HG1 VAL 102 2HG1 VAL 102 9.607 1.759 -2.999 1675 3HG1 VAL 102 3HG1 VAL 102 9.967 1.499 -1.276 1676 1HG2 VAL 102 1HG2 VAL 102 11.536 -0.153 -0.690 1677 2HG2 VAL 102 2HG2 VAL 102 10.972 -1.764 -1.194 1678 3HG2 VAL 102 3HG2 VAL 102 12.358 -1.009 -2.017 1679 H ILE 103 H ILE 103 6.932 0.558 -2.137 1680 HA ILE 103 HA ILE 103 6.581 1.107 -4.973 1681 HB ILE 103 HB ILE 103 4.458 -0.173 -3.248 1682 1HG1 ILE 103 1HG1 ILE 103 6.238 -1.719 -4.067 1683 2HG1 ILE 103 2HG1 ILE 103 4.630 -2.092 -4.656 1684 1HG2 ILE 103 1HG2 ILE 103 3.405 -0.198 -5.714 1685 2HG2 ILE 103 2HG2 ILE 103 3.131 1.120 -4.549 1686 3HG2 ILE 103 3HG2 ILE 103 4.359 1.301 -5.825 1687 1HD1 ILE 103 1HD1 ILE 103 6.663 -0.449 -6.231 1688 2HD1 ILE 103 2HD1 ILE 103 6.418 -2.199 -6.438 1689 3HD1 ILE 103 3HD1 ILE 103 5.101 -1.066 -6.821 1690 H ASP 104 H ASP 104 5.462 3.065 -5.383 1691 HA ASP 104 HA ASP 104 5.240 4.686 -2.983 1692 1HB ASP 104 1HB ASP 104 6.367 5.119 -5.585 1693 2HB ASP 104 2HB ASP 104 4.977 6.180 -5.466 1694 H TYR 105 H TYR 105 3.340 6.206 -2.865 1695 HA TYR 105 HA TYR 105 1.096 5.348 -4.560 1696 1HB TYR 105 1HB TYR 105 1.018 4.370 -2.234 1697 2HB TYR 105 2HB TYR 105 1.293 5.958 -1.545 1698 HD1 TYR 105 HD1 TYR 105 -1.172 3.600 -2.639 1699 HD2 TYR 105 HD2 TYR 105 -0.505 7.768 -1.942 1700 HE1 TYR 105 HE1 TYR 105 -3.682 3.988 -2.515 1701 HE2 TYR 105 HE2 TYR 105 -3.017 8.142 -1.820 1702 HH TYR 105 HH TYR 105 -5.268 5.433 -2.302 1703 H LYS 106 H LYS 106 0.519 7.059 -5.803 1704 HA LYS 106 HA LYS 106 0.506 9.682 -4.482 1705 1HB LYS 106 1HB LYS 106 2.375 9.659 -5.993 1706 2HB LYS 106 2HB LYS 106 1.407 8.981 -7.286 1707 1HG LYS 106 1HG LYS 106 1.178 11.170 -7.933 1708 2HG LYS 106 2HG LYS 106 -0.090 11.199 -6.723 1709 1HD LYS 106 1HD LYS 106 1.066 12.870 -5.707 1710 2HD LYS 106 2HD LYS 106 2.226 11.653 -5.211 1711 1HE LYS 106 1HE LYS 106 3.770 12.810 -6.418 1712 2HE LYS 106 2HE LYS 106 2.988 12.174 -7.851 1713 1HZ LYS 106 1HZ LYS 106 2.902 14.423 -8.158 1714 2HZ LYS 106 2HZ LYS 106 1.424 14.153 -7.518 1715 3HZ LYS 106 3HZ LYS 106 2.615 14.773 -6.589 1716 HA PRO 107 HA PRO 107 -3.663 9.597 -5.646 1717 1HB PRO 107 1HB PRO 107 -4.341 12.167 -5.011 1718 2HB PRO 107 2HB PRO 107 -4.261 10.877 -3.828 1719 1HG PRO 107 1HG PRO 107 -2.359 13.093 -4.285 1720 2HG PRO 107 2HG PRO 107 -2.529 12.066 -2.875 1721 1HD PRO 107 1HD PRO 107 -0.500 11.886 -4.894 1722 2HD PRO 107 2HD PRO 107 -0.740 10.789 -3.549 1723 H THR 108 H THR 108 -3.527 9.130 -7.841 1724 HA THR 108 HA THR 108 -3.781 11.583 -9.446 1725 HB THR 108 HB THR 108 -1.967 9.171 -9.789 1726 HG1 THR 108 HG1 THR 108 -1.875 12.064 -10.293 1727 1HG2 THR 108 1HG2 THR 108 -1.789 10.760 -12.123 1728 2HG2 THR 108 2HG2 THR 108 -2.413 9.095 -12.034 1729 3HG2 THR 108 3HG2 THR 108 -3.533 10.473 -11.913 1730 H SER 109 H SER 109 -6.092 11.296 -9.138 1731 HA SER 109 HA SER 109 -7.211 8.892 -10.193 1732 1HB SER 109 1HB SER 109 -9.401 10.263 -9.820 1733 2HB SER 109 2HB SER 109 -8.481 9.760 -8.417 1734 HG SER 109 HG SER 109 -8.904 11.926 -8.077 1735 H VAL 110 H VAL 110 -8.908 8.986 -11.981 1736 HA VAL 110 HA VAL 110 -7.911 10.738 -14.090 1737 HB VAL 110 HB VAL 110 -9.546 8.203 -14.053 1738 1HG1 VAL 110 1HG1 VAL 110 -9.096 10.181 -16.269 1739 2HG1 VAL 110 2HG1 VAL 110 -9.191 8.444 -16.645 1740 3HG1 VAL 110 3HG1 VAL 110 -10.558 9.258 -15.846 1741 1HG2 VAL 110 1HG2 VAL 110 -7.513 7.274 -14.118 1742 2HG2 VAL 110 2HG2 VAL 110 -7.351 7.940 -15.761 1743 3HG2 VAL 110 3HG2 VAL 110 -6.724 8.850 -14.366 1744 H SER 111 H SER 111 -9.263 12.160 -15.249 1745 HA SER 111 HA SER 111 -11.378 13.196 -13.718 1746 1HB SER 111 1HB SER 111 -11.594 14.284 -16.305 1747 2HB SER 111 2HB SER 111 -10.738 14.982 -14.945 1748 HG SER 111 HG SER 111 -9.711 14.000 -17.262 1749 H LEU 112 H LEU 112 -13.593 12.842 -13.873 1750 HA LEU 112 HA LEU 112 -14.451 11.094 -16.074 1751 1HB LEU 112 1HB LEU 112 -16.081 10.130 -14.533 1752 2HB LEU 112 2HB LEU 112 -14.424 9.837 -14.043 1753 HG LEU 112 HG LEU 112 -14.962 12.091 -12.611 1754 1HD1 LEU 112 1HD1 LEU 112 -17.579 10.642 -13.008 1755 2HD1 LEU 112 2HD1 LEU 112 -17.239 11.608 -11.552 1756 3HD1 LEU 112 3HD1 LEU 112 -17.226 12.380 -13.156 1757 1HD2 LEU 112 1HD2 LEU 112 -14.597 10.763 -10.830 1758 2HD2 LEU 112 2HD2 LEU 112 -15.854 9.594 -11.301 1759 3HD2 LEU 112 3HD2 LEU 112 -14.250 9.536 -12.072 Start of MODEL 20 1 1H GLY 1 1H GLY 1 -22.083 -2.422 23.071 2 1HA GLY 1 1HA GLY 1 -21.389 -4.663 24.552 3 2HA GLY 1 2HA GLY 1 -19.982 -4.253 23.591 4 H SER 2 H SER 2 -18.731 -3.586 25.418 5 HA SER 2 HA SER 2 -19.811 -1.496 27.053 6 1HB SER 2 1HB SER 2 -18.219 -3.507 27.722 7 2HB SER 2 2HB SER 2 -16.941 -2.445 27.166 8 HG SER 2 HG SER 2 -17.147 -1.954 29.324 9 H HIS 3 H HIS 3 -16.852 -1.967 24.977 10 HA HIS 3 HA HIS 3 -16.825 0.939 24.624 11 1HB HIS 3 1HB HIS 3 -14.774 -0.955 25.302 12 2HB HIS 3 2HB HIS 3 -14.383 -0.236 23.753 13 HD1 HIS 3 HD1 HIS 3 -13.933 2.359 23.695 14 HD2 HIS 3 HD2 HIS 3 -14.619 0.777 27.519 15 HE1 HIS 3 HE1 HIS 3 -13.198 4.153 25.353 16 HE2 HIS 3 HE2 HIS 3 -13.694 3.146 27.684 17 H MET 4 H MET 4 -18.047 1.342 22.815 18 HA MET 4 HA MET 4 -18.316 -0.438 20.722 19 1HB MET 4 1HB MET 4 -18.864 2.475 21.252 20 2HB MET 4 2HB MET 4 -18.832 2.010 19.562 21 1HG MET 4 1HG MET 4 -20.357 0.087 21.200 22 2HG MET 4 2HG MET 4 -21.004 1.711 21.328 23 1HE MET 4 1HE MET 4 -23.314 -0.016 18.748 24 2HE MET 4 2HE MET 4 -22.221 -1.189 19.521 25 3HE MET 4 3HE MET 4 -22.922 0.139 20.478 26 H GLU 5 H GLU 5 -17.636 -0.054 18.386 27 HA GLU 5 HA GLU 5 -14.827 0.220 18.346 28 1HB GLU 5 1HB GLU 5 -16.815 -0.979 16.728 29 2HB GLU 5 2HB GLU 5 -16.080 0.237 15.703 30 1HG GLU 5 1HG GLU 5 -13.791 -0.700 16.480 31 2HG GLU 5 2HG GLU 5 -14.684 -2.046 17.159 32 H GLU 6 H GLU 6 -13.536 1.892 17.505 33 HA GLU 6 HA GLU 6 -14.943 4.390 17.224 34 1HB GLU 6 1HB GLU 6 -12.088 3.572 17.741 35 2HB GLU 6 2HB GLU 6 -12.386 5.163 17.070 36 1HG GLU 6 1HG GLU 6 -13.341 5.957 19.010 37 2HG GLU 6 2HG GLU 6 -14.165 4.448 19.349 38 H ALA 7 H ALA 7 -15.549 5.116 15.235 39 HA ALA 7 HA ALA 7 -14.754 3.837 12.877 40 1HB ALA 7 1HB ALA 7 -16.744 4.883 12.529 41 2HB ALA 7 2HB ALA 7 -16.389 6.171 13.706 42 3HB ALA 7 3HB ALA 7 -15.722 6.262 12.058 43 H LYS 8 H LYS 8 -12.457 3.747 12.780 44 HA LYS 8 HA LYS 8 -11.062 6.297 12.755 45 1HB LYS 8 1HB LYS 8 -10.145 3.414 12.793 46 2HB LYS 8 2HB LYS 8 -9.041 4.753 12.553 47 1HG LYS 8 1HG LYS 8 -10.586 5.554 14.769 48 2HG LYS 8 2HG LYS 8 -10.353 3.836 15.026 49 1HD LYS 8 1HD LYS 8 -8.138 4.096 15.505 50 2HD LYS 8 2HD LYS 8 -7.873 5.132 14.117 51 1HE LYS 8 1HE LYS 8 -8.421 7.104 15.304 52 2HE LYS 8 2HE LYS 8 -9.371 6.245 16.501 53 1HZ LYS 8 1HZ LYS 8 -7.209 6.961 17.320 54 2HZ LYS 8 2HZ LYS 8 -7.374 5.338 17.405 55 3HZ LYS 8 3HZ LYS 8 -6.454 6.005 16.232 56 H GLY 9 H GLY 9 -12.886 6.236 10.708 57 1HA GLY 9 1HA GLY 9 -11.634 5.188 8.312 58 2HA GLY 9 2HA GLY 9 -13.158 6.043 8.443 59 HA PRO 10 HA PRO 10 -12.958 6.303 6.467 60 1HB PRO 10 1HB PRO 10 -12.079 6.787 3.925 61 2HB PRO 10 2HB PRO 10 -13.336 7.729 4.699 62 1HG PRO 10 1HG PRO 10 -10.517 8.461 4.195 63 2HG PRO 10 2HG PRO 10 -11.873 9.507 4.565 64 1HD PRO 10 1HD PRO 10 -9.787 8.700 6.361 65 2HD PRO 10 2HD PRO 10 -11.204 9.651 6.760 66 H VAL 11 H VAL 11 -12.814 4.354 5.064 67 HA VAL 11 HA VAL 11 -10.254 3.093 5.711 68 HB VAL 11 HB VAL 11 -13.065 2.156 5.317 69 1HG1 VAL 11 1HG1 VAL 11 -12.032 -0.229 5.338 70 2HG1 VAL 11 2HG1 VAL 11 -12.107 0.663 3.800 71 3HG1 VAL 11 3HG1 VAL 11 -10.575 0.571 4.701 72 1HG2 VAL 11 1HG2 VAL 11 -12.019 2.662 7.572 73 2HG2 VAL 11 2HG2 VAL 11 -12.724 1.038 7.393 74 3HG2 VAL 11 3HG2 VAL 11 -10.960 1.257 7.303 75 H LYS 12 H LYS 12 -8.958 2.140 4.117 76 HA LYS 12 HA LYS 12 -9.865 2.599 1.363 77 1HB LYS 12 1HB LYS 12 -7.353 3.467 2.722 78 2HB LYS 12 2HB LYS 12 -7.220 2.898 1.070 79 1HG LYS 12 1HG LYS 12 -7.762 5.067 0.547 80 2HG LYS 12 2HG LYS 12 -9.406 4.513 0.802 81 1HD LYS 12 1HD LYS 12 -9.383 6.376 2.204 82 2HD LYS 12 2HD LYS 12 -8.921 5.129 3.345 83 1HE LYS 12 1HE LYS 12 -6.452 5.813 2.324 84 2HE LYS 12 2HE LYS 12 -7.286 7.349 2.196 85 1HZ LYS 12 1HZ LYS 12 -7.930 6.313 4.656 86 2HZ LYS 12 2HZ LYS 12 -6.321 6.084 4.491 87 3HZ LYS 12 3HZ LYS 12 -6.951 7.583 4.343 88 H HIS 13 H HIS 13 -9.675 0.869 -0.002 89 HA HIS 13 HA HIS 13 -8.560 -1.533 1.214 90 1HB HIS 13 1HB HIS 13 -10.630 -2.173 0.562 91 2HB HIS 13 2HB HIS 13 -10.752 -0.944 -0.681 92 HD1 HIS 13 HD1 HIS 13 -10.461 -4.501 -0.315 93 HD2 HIS 13 HD2 HIS 13 -8.954 -1.686 -3.035 94 HE1 HIS 13 HE1 HIS 13 -9.790 -5.810 -2.400 95 HE2 HIS 13 HE2 HIS 13 -8.922 -4.020 -4.055 96 H VAL 14 H VAL 14 -6.613 -2.310 0.572 97 HA VAL 14 HA VAL 14 -5.532 -1.206 -1.925 98 HB VAL 14 HB VAL 14 -4.173 -2.249 0.566 99 1HG1 VAL 14 1HG1 VAL 14 -2.782 -2.879 -1.263 100 2HG1 VAL 14 2HG1 VAL 14 -3.026 -1.317 -2.079 101 3HG1 VAL 14 3HG1 VAL 14 -2.076 -1.397 -0.576 102 1HG2 VAL 14 1HG2 VAL 14 -3.474 0.017 0.949 103 2HG2 VAL 14 2HG2 VAL 14 -4.154 0.548 -0.608 104 3HG2 VAL 14 3HG2 VAL 14 -5.237 0.022 0.703 105 H LEU 15 H LEU 15 -5.465 -2.576 -3.623 106 HA LEU 15 HA LEU 15 -5.189 -5.432 -3.000 107 1HB LEU 15 1HB LEU 15 -7.428 -5.247 -3.593 108 2HB LEU 15 2HB LEU 15 -7.118 -4.038 -4.822 109 HG LEU 15 HG LEU 15 -6.132 -6.881 -5.098 110 1HD1 LEU 15 1HD1 LEU 15 -8.834 -6.133 -4.961 111 2HD1 LEU 15 2HD1 LEU 15 -8.478 -6.335 -6.693 112 3HD1 LEU 15 3HD1 LEU 15 -8.156 -7.667 -5.558 113 1HD2 LEU 15 1HD2 LEU 15 -6.101 -4.455 -6.757 114 2HD2 LEU 15 2HD2 LEU 15 -5.074 -5.907 -6.814 115 3HD2 LEU 15 3HD2 LEU 15 -6.670 -5.914 -7.603 116 H LEU 16 H LEU 16 -3.464 -6.390 -3.952 117 HA LEU 16 HA LEU 16 -2.103 -4.818 -6.016 118 1HB LEU 16 1HB LEU 16 -0.853 -7.087 -4.517 119 2HB LEU 16 2HB LEU 16 -0.093 -5.716 -5.300 120 HG LEU 16 HG LEU 16 -1.615 -4.505 -3.336 121 1HD1 LEU 16 1HD1 LEU 16 -1.780 -7.080 -2.568 122 2HD1 LEU 16 2HD1 LEU 16 -0.260 -6.621 -1.763 123 3HD1 LEU 16 3HD1 LEU 16 -1.753 -5.710 -1.431 124 1HD2 LEU 16 1HD2 LEU 16 1.235 -5.366 -2.865 125 2HD2 LEU 16 2HD2 LEU 16 0.810 -4.174 -4.116 126 3HD2 LEU 16 3HD2 LEU 16 0.427 -3.847 -2.409 127 H ALA 17 H ALA 17 -2.021 -5.553 -8.081 128 HA ALA 17 HA ALA 17 -2.583 -8.398 -8.501 129 1HB ALA 17 1HB ALA 17 -4.090 -7.819 -10.346 130 2HB ALA 17 2HB ALA 17 -4.670 -7.085 -8.832 131 3HB ALA 17 3HB ALA 17 -3.829 -6.085 -10.041 132 H SER 18 H SER 18 -1.475 -9.323 -10.274 133 HA SER 18 HA SER 18 0.391 -7.486 -11.557 134 1HB SER 18 1HB SER 18 0.997 -10.389 -10.858 135 2HB SER 18 2HB SER 18 2.122 -9.195 -11.475 136 HG SER 18 HG SER 18 2.560 -8.896 -9.392 137 H PHE 19 H PHE 19 0.752 -7.824 -13.809 138 HA PHE 19 HA PHE 19 -1.241 -9.549 -15.042 139 1HB PHE 19 1HB PHE 19 0.668 -7.328 -15.978 140 2HB PHE 19 2HB PHE 19 -0.362 -8.200 -17.096 141 HD1 PHE 19 HD1 PHE 19 -2.890 -8.091 -16.717 142 HD2 PHE 19 HD2 PHE 19 -0.152 -5.472 -14.806 143 HE1 PHE 19 HE1 PHE 19 -4.755 -6.476 -16.259 144 HE2 PHE 19 HE2 PHE 19 -2.017 -3.856 -14.348 145 HZ PHE 19 HZ PHE 19 -4.297 -4.377 -15.080 146 H LYS 20 H LYS 20 -0.658 -11.578 -15.641 147 HA LYS 20 HA LYS 20 2.000 -12.438 -15.643 148 1HB LYS 20 1HB LYS 20 1.093 -14.516 -16.564 149 2HB LYS 20 2HB LYS 20 0.127 -13.931 -15.224 150 1HG LYS 20 1HG LYS 20 -1.148 -12.687 -17.320 151 2HG LYS 20 2HG LYS 20 -0.574 -14.135 -18.122 152 1HD LYS 20 1HD LYS 20 -1.924 -14.410 -15.430 153 2HD LYS 20 2HD LYS 20 -2.919 -14.115 -16.841 154 1HE LYS 20 1HE LYS 20 -0.857 -16.223 -17.241 155 2HE LYS 20 2HE LYS 20 -2.043 -16.613 -16.011 156 1HZ LYS 20 1HZ LYS 20 -2.457 -16.123 -18.843 157 2HZ LYS 20 2HZ LYS 20 -3.078 -17.298 -17.894 158 3HZ LYS 20 3HZ LYS 20 -3.676 -15.781 -17.812 159 H ASP 21 H ASP 21 2.701 -13.781 -17.837 160 HA ASP 21 HA ASP 21 2.945 -11.634 -19.765 161 1HB ASP 21 1HB ASP 21 4.748 -13.541 -18.683 162 2HB ASP 21 2HB ASP 21 4.488 -14.064 -20.335 163 H GLY 22 H GLY 22 1.665 -11.774 -21.615 164 1HA GLY 22 1HA GLY 22 1.389 -13.546 -23.486 165 2HA GLY 22 2HA GLY 22 0.445 -14.368 -22.259 166 H VAL 23 H VAL 23 -0.385 -11.644 -21.074 167 HA VAL 23 HA VAL 23 -2.725 -11.373 -22.699 168 HB VAL 23 HB VAL 23 -1.755 -9.903 -20.240 169 1HG1 VAL 23 1HG1 VAL 23 -3.320 -8.439 -21.159 170 2HG1 VAL 23 2HG1 VAL 23 -4.325 -9.757 -21.809 171 3HG1 VAL 23 3HG1 VAL 23 -4.307 -9.431 -20.059 172 1HG2 VAL 23 1HG2 VAL 23 -3.941 -11.983 -20.340 173 2HG2 VAL 23 2HG2 VAL 23 -2.233 -12.442 -20.141 174 3HG2 VAL 23 3HG2 VAL 23 -3.017 -11.388 -18.939 175 H SER 24 H SER 24 -3.279 -9.701 -24.089 176 HA SER 24 HA SER 24 -1.131 -8.309 -25.215 177 1HB SER 24 1HB SER 24 -4.129 -8.307 -25.582 178 2HB SER 24 2HB SER 24 -3.186 -7.042 -26.344 179 HG SER 24 HG SER 24 -2.733 -8.450 -27.880 180 HA PRO 25 HA PRO 25 -1.232 -4.656 -22.851 181 1HB PRO 25 1HB PRO 25 -0.147 -2.841 -24.582 182 2HB PRO 25 2HB PRO 25 0.815 -3.978 -23.658 183 1HG PRO 25 1HG PRO 25 0.126 -4.040 -26.532 184 2HG PRO 25 2HG PRO 25 1.402 -4.898 -25.691 185 1HD PRO 25 1HD PRO 25 -1.093 -5.988 -26.595 186 2HD PRO 25 2HD PRO 25 0.132 -6.814 -25.652 187 H GLU 26 H GLU 26 -2.649 -4.458 -26.034 188 HA GLU 26 HA GLU 26 -3.967 -2.069 -25.625 189 1HB GLU 26 1HB GLU 26 -3.701 -3.837 -27.707 190 2HB GLU 26 2HB GLU 26 -5.369 -4.132 -27.261 191 1HG GLU 26 1HG GLU 26 -6.070 -2.032 -27.920 192 2HG GLU 26 2HG GLU 26 -4.596 -1.251 -27.383 193 H LYS 27 H LYS 27 -4.679 -5.387 -24.563 194 HA LYS 27 HA LYS 27 -7.390 -4.831 -23.877 195 1HB LYS 27 1HB LYS 27 -5.987 -7.101 -24.358 196 2HB LYS 27 2HB LYS 27 -5.961 -7.103 -22.607 197 1HG LYS 27 1HG LYS 27 -8.222 -7.485 -22.435 198 2HG LYS 27 2HG LYS 27 -8.611 -6.412 -23.765 199 1HD LYS 27 1HD LYS 27 -7.289 -8.471 -25.081 200 2HD LYS 27 2HD LYS 27 -8.093 -9.340 -23.788 201 1HE LYS 27 1HE LYS 27 -10.277 -8.439 -24.449 202 2HE LYS 27 2HE LYS 27 -9.534 -7.358 -25.611 203 1HZ LYS 27 1HZ LYS 27 -8.588 -9.620 -26.485 204 2HZ LYS 27 2HZ LYS 27 -9.938 -10.213 -25.783 205 3HZ LYS 27 3HZ LYS 27 -10.056 -9.073 -26.947 206 H ILE 28 H ILE 28 -4.204 -4.741 -22.244 207 HA ILE 28 HA ILE 28 -5.138 -4.522 -19.637 208 HB ILE 28 HB ILE 28 -2.644 -3.463 -20.965 209 1HG1 ILE 28 1HG1 ILE 28 -2.868 -5.888 -19.189 210 2HG1 ILE 28 2HG1 ILE 28 -3.216 -5.995 -20.903 211 1HG2 ILE 28 1HG2 ILE 28 -2.062 -2.452 -19.081 212 2HG2 ILE 28 2HG2 ILE 28 -3.662 -2.828 -18.398 213 3HG2 ILE 28 3HG2 ILE 28 -2.306 -3.958 -18.164 214 1HD1 ILE 28 1HD1 ILE 28 -0.640 -5.905 -19.589 215 2HD1 ILE 28 2HD1 ILE 28 -0.998 -6.151 -21.315 216 3HD1 ILE 28 3HD1 ILE 28 -0.788 -4.503 -20.675 217 H GLU 29 H GLU 29 -4.600 -2.049 -22.203 218 HA GLU 29 HA GLU 29 -5.186 0.100 -20.505 219 1HB GLU 29 1HB GLU 29 -4.213 -0.230 -23.105 220 2HB GLU 29 2HB GLU 29 -5.770 0.531 -23.366 221 1HG GLU 29 1HG GLU 29 -4.439 1.828 -21.128 222 2HG GLU 29 2HG GLU 29 -3.341 1.767 -22.492 223 H GLU 30 H GLU 30 -7.125 -1.828 -22.873 224 HA GLU 30 HA GLU 30 -9.416 -0.312 -22.704 225 1HB GLU 30 1HB GLU 30 -8.851 -3.204 -23.397 226 2HB GLU 30 2HB GLU 30 -10.508 -2.640 -23.320 227 1HG GLU 30 1HG GLU 30 -9.361 -0.624 -24.810 228 2HG GLU 30 2HG GLU 30 -8.371 -1.985 -25.299 229 H LEU 31 H LEU 31 -8.238 -3.068 -20.700 230 HA LEU 31 HA LEU 31 -10.604 -3.300 -19.186 231 1HB LEU 31 1HB LEU 31 -8.147 -4.635 -19.456 232 2HB LEU 31 2HB LEU 31 -8.222 -4.128 -17.780 233 HG LEU 31 HG LEU 31 -10.586 -5.515 -19.013 234 1HD1 LEU 31 1HD1 LEU 31 -9.539 -7.672 -18.095 235 2HD1 LEU 31 2HD1 LEU 31 -8.947 -7.052 -19.655 236 3HD1 LEU 31 3HD1 LEU 31 -7.990 -6.798 -18.175 237 1HD2 LEU 31 1HD2 LEU 31 -10.730 -6.398 -16.632 238 2HD2 LEU 31 2HD2 LEU 31 -9.467 -5.212 -16.224 239 3HD2 LEU 31 3HD2 LEU 31 -11.033 -4.660 -16.863 240 H ILE 32 H ILE 32 -7.658 -1.290 -18.951 241 HA ILE 32 HA ILE 32 -8.198 -0.392 -16.321 242 HB ILE 32 HB ILE 32 -6.400 0.508 -18.553 243 1HG1 ILE 32 1HG1 ILE 32 -5.632 -0.441 -15.796 244 2HG1 ILE 32 2HG1 ILE 32 -6.009 -1.580 -17.073 245 1HG2 ILE 32 1HG2 ILE 32 -7.061 2.553 -17.461 246 2HG2 ILE 32 2HG2 ILE 32 -6.765 1.840 -15.857 247 3HG2 ILE 32 3HG2 ILE 32 -5.404 2.132 -16.965 248 1HD1 ILE 32 1HD1 ILE 32 -3.992 0.670 -17.457 249 2HD1 ILE 32 2HD1 ILE 32 -3.536 -0.935 -16.837 250 3HD1 ILE 32 3HD1 ILE 32 -4.223 -0.775 -18.471 251 H LYS 33 H LYS 33 -8.680 1.071 -19.609 252 HA LYS 33 HA LYS 33 -9.902 3.390 -18.703 253 1HB LYS 33 1HB LYS 33 -10.072 3.876 -20.893 254 2HB LYS 33 2HB LYS 33 -9.067 2.457 -21.102 255 1HG LYS 33 1HG LYS 33 -11.318 1.116 -21.164 256 2HG LYS 33 2HG LYS 33 -12.084 2.674 -21.404 257 1HD LYS 33 1HD LYS 33 -9.727 1.927 -23.147 258 2HD LYS 33 2HD LYS 33 -11.288 1.209 -23.489 259 1HE LYS 33 1HE LYS 33 -12.044 3.826 -23.191 260 2HE LYS 33 2HE LYS 33 -10.406 4.058 -23.768 261 1HZ LYS 33 1HZ LYS 33 -12.619 2.714 -25.105 262 2HZ LYS 33 2HZ LYS 33 -11.630 3.881 -25.677 263 3HZ LYS 33 3HZ LYS 33 -11.082 2.351 -25.520 264 H GLY 34 H GLY 34 -11.129 0.080 -19.148 265 1HA GLY 34 1HA GLY 34 -13.875 0.634 -19.145 266 2HA GLY 34 2HA GLY 34 -13.108 -0.863 -18.655 267 H TYR 35 H TYR 35 -11.644 -0.286 -16.417 268 HA TYR 35 HA TYR 35 -13.382 -0.348 -14.364 269 1HB TYR 35 1HB TYR 35 -10.542 0.291 -14.921 270 2HB TYR 35 2HB TYR 35 -11.100 1.187 -13.522 271 HD1 TYR 35 HD1 TYR 35 -12.794 -0.544 -12.026 272 HD2 TYR 35 HD2 TYR 35 -9.322 -1.575 -14.303 273 HE1 TYR 35 HE1 TYR 35 -12.446 -2.603 -10.576 274 HE2 TYR 35 HE2 TYR 35 -8.986 -3.630 -12.845 275 HH TYR 35 HH TYR 35 -10.434 -5.105 -11.454 276 H ALA 36 H ALA 36 -11.806 2.645 -15.686 277 HA ALA 36 HA ALA 36 -12.961 4.408 -13.878 278 1HB ALA 36 1HB ALA 36 -12.098 4.803 -16.772 279 2HB ALA 36 2HB ALA 36 -12.402 6.110 -15.603 280 3HB ALA 36 3HB ALA 36 -11.067 4.965 -15.330 281 H ASN 37 H ASN 37 -14.188 2.910 -16.887 282 HA ASN 37 HA ASN 37 -16.392 4.617 -17.114 283 1HB ASN 37 1HB ASN 37 -15.317 2.940 -18.850 284 2HB ASN 37 2HB ASN 37 -16.336 1.731 -18.094 285 1HD2 ASN 37 1HD2 ASN 37 -17.157 1.677 -20.339 286 2HD2 ASN 37 2HD2 ASN 37 -18.468 2.721 -20.776 287 H LEU 38 H LEU 38 -15.721 1.445 -15.538 288 HA LEU 38 HA LEU 38 -18.410 0.896 -14.862 289 1HB LEU 38 1HB LEU 38 -15.873 -0.365 -14.695 290 2HB LEU 38 2HB LEU 38 -16.551 -0.351 -13.079 291 HG LEU 38 HG LEU 38 -18.685 -1.165 -14.680 292 1HD1 LEU 38 1HD1 LEU 38 -17.305 -3.262 -15.688 293 2HD1 LEU 38 2HD1 LEU 38 -17.742 -1.810 -16.621 294 3HD1 LEU 38 3HD1 LEU 38 -16.116 -1.957 -15.913 295 1HD2 LEU 38 1HD2 LEU 38 -16.762 -2.951 -13.169 296 2HD2 LEU 38 2HD2 LEU 38 -18.028 -1.956 -12.412 297 3HD2 LEU 38 3HD2 LEU 38 -18.476 -3.264 -13.532 298 H VAL 39 H VAL 39 -15.750 2.745 -13.370 299 HA VAL 39 HA VAL 39 -16.957 2.954 -10.827 300 HB VAL 39 HB VAL 39 -14.908 4.673 -12.241 301 1HG1 VAL 39 1HG1 VAL 39 -16.265 5.485 -10.072 302 2HG1 VAL 39 2HG1 VAL 39 -15.020 4.501 -9.266 303 3HG1 VAL 39 3HG1 VAL 39 -14.541 5.851 -10.323 304 1HG2 VAL 39 1HG2 VAL 39 -13.779 3.078 -10.170 305 2HG2 VAL 39 2HG2 VAL 39 -14.775 2.010 -11.188 306 3HG2 VAL 39 3HG2 VAL 39 -13.483 2.990 -11.923 307 H ASN 40 H ASN 40 -17.313 4.655 -13.926 308 HA ASN 40 HA ASN 40 -18.543 6.924 -12.864 309 1HB ASN 40 1HB ASN 40 -17.656 6.996 -15.128 310 2HB ASN 40 2HB ASN 40 -18.596 5.600 -15.616 311 1HD2 ASN 40 1HD2 ASN 40 -20.194 6.086 -16.894 312 2HD2 ASN 40 2HD2 ASN 40 -21.205 7.491 -16.837 313 H LEU 41 H LEU 41 -19.601 3.645 -13.782 314 HA LEU 41 HA LEU 41 -22.391 4.313 -13.775 315 1HB LEU 41 1HB LEU 41 -20.826 2.300 -14.844 316 2HB LEU 41 2HB LEU 41 -21.671 1.492 -13.538 317 HG LEU 41 HG LEU 41 -22.848 1.269 -15.672 318 1HD1 LEU 41 1HD1 LEU 41 -24.318 1.057 -13.894 319 2HD1 LEU 41 2HD1 LEU 41 -24.166 2.767 -13.424 320 3HD1 LEU 41 3HD1 LEU 41 -25.086 2.324 -14.881 321 1HD2 LEU 41 1HD2 LEU 41 -22.719 2.978 -17.100 322 2HD2 LEU 41 2HD2 LEU 41 -24.062 3.695 -16.178 323 3HD2 LEU 41 3HD2 LEU 41 -22.383 4.153 -15.806 324 H ILE 42 H ILE 42 -20.328 2.127 -11.724 325 HA ILE 42 HA ILE 42 -22.134 1.653 -9.756 326 HB ILE 42 HB ILE 42 -19.146 2.031 -9.562 327 1HG1 ILE 42 1HG1 ILE 42 -19.740 0.324 -11.157 328 2HG1 ILE 42 2HG1 ILE 42 -19.098 -0.432 -9.713 329 1HG2 ILE 42 1HG2 ILE 42 -20.870 0.503 -7.610 330 2HG2 ILE 42 2HG2 ILE 42 -19.155 0.956 -7.467 331 3HG2 ILE 42 3HG2 ILE 42 -20.417 2.207 -7.365 332 1HD1 ILE 42 1HD1 ILE 42 -21.856 -0.241 -9.190 333 2HD1 ILE 42 2HD1 ILE 42 -21.762 -0.686 -10.910 334 3HD1 ILE 42 3HD1 ILE 42 -20.975 -1.707 -9.683 335 H GLU 43 H GLU 43 -23.507 3.227 -9.012 336 HA GLU 43 HA GLU 43 -22.725 5.857 -8.630 337 1HB GLU 43 1HB GLU 43 -25.057 5.358 -8.909 338 2HB GLU 43 2HB GLU 43 -25.055 4.211 -7.584 339 1HG GLU 43 1HG GLU 43 -24.566 6.087 -5.982 340 2HG GLU 43 2HG GLU 43 -24.615 7.223 -7.315 341 HA PRO 44 HA PRO 44 -22.127 4.470 -4.116 342 1HB PRO 44 1HB PRO 44 -21.764 1.812 -3.598 343 2HB PRO 44 2HB PRO 44 -23.309 2.621 -3.420 344 1HG PRO 44 1HG PRO 44 -22.416 0.779 -5.553 345 2HG PRO 44 2HG PRO 44 -24.048 1.252 -5.124 346 1HD PRO 44 1HD PRO 44 -22.518 2.199 -7.357 347 2HD PRO 44 2HD PRO 44 -24.103 2.757 -6.861 348 H MET 45 H MET 45 -20.281 5.680 -4.948 349 HA MET 45 HA MET 45 -17.958 4.398 -4.106 350 1HB MET 45 1HB MET 45 -18.564 3.489 -6.584 351 2HB MET 45 2HB MET 45 -17.829 5.002 -7.077 352 1HG MET 45 1HG MET 45 -15.764 4.109 -6.784 353 2HG MET 45 2HG MET 45 -16.105 3.845 -5.086 354 1HE MET 45 1HE MET 45 -14.630 0.620 -7.035 355 2HE MET 45 2HE MET 45 -15.081 1.826 -8.264 356 3HE MET 45 3HE MET 45 -14.234 2.337 -6.784 357 H LYS 46 H LYS 46 -17.084 6.148 -3.081 358 HA LYS 46 HA LYS 46 -17.662 8.773 -3.695 359 1HB LYS 46 1HB LYS 46 -16.566 7.619 -1.603 360 2HB LYS 46 2HB LYS 46 -15.058 7.998 -2.410 361 1HG LYS 46 1HG LYS 46 -15.229 10.209 -1.900 362 2HG LYS 46 2HG LYS 46 -16.875 10.296 -2.494 363 1HD LYS 46 1HD LYS 46 -17.649 10.366 -0.367 364 2HD LYS 46 2HD LYS 46 -16.963 8.783 -0.059 365 1HE LYS 46 1HE LYS 46 -15.032 11.080 -0.042 366 2HE LYS 46 2HE LYS 46 -16.187 11.035 1.276 367 1HZ LYS 46 1HZ LYS 46 -13.955 9.377 0.826 368 2HZ LYS 46 2HZ LYS 46 -14.852 9.552 2.179 369 3HZ LYS 46 3HZ LYS 46 -15.302 8.478 1.034 370 H ALA 47 H ALA 47 -14.573 6.985 -4.407 371 HA ALA 47 HA ALA 47 -14.447 8.025 -7.029 372 1HB ALA 47 1HB ALA 47 -13.793 10.122 -6.285 373 2HB ALA 47 2HB ALA 47 -13.017 9.478 -4.818 374 3HB ALA 47 3HB ALA 47 -12.212 9.312 -6.397 375 H PHE 48 H PHE 48 -12.601 7.135 -8.194 376 HA PHE 48 HA PHE 48 -11.050 5.210 -6.634 377 1HB PHE 48 1HB PHE 48 -12.765 3.835 -7.616 378 2HB PHE 48 2HB PHE 48 -12.886 4.851 -9.039 379 HD1 PHE 48 HD1 PHE 48 -10.912 2.212 -7.406 380 HD2 PHE 48 HD2 PHE 48 -11.471 4.492 -10.941 381 HE1 PHE 48 HE1 PHE 48 -9.423 0.630 -8.662 382 HE2 PHE 48 HE2 PHE 48 -9.981 2.909 -12.197 383 HZ PHE 48 HZ PHE 48 -8.975 0.997 -11.042 384 H HIS 49 H HIS 49 -8.901 5.423 -7.044 385 HA HIS 49 HA HIS 49 -8.182 6.537 -9.657 386 1HB HIS 49 1HB HIS 49 -6.276 7.662 -8.509 387 2HB HIS 49 2HB HIS 49 -7.856 8.292 -8.088 388 HD1 HIS 49 HD1 HIS 49 -8.348 8.498 -5.636 389 HD2 HIS 49 HD2 HIS 49 -5.242 5.788 -6.415 390 HE1 HIS 49 HE1 HIS 49 -7.431 7.788 -3.363 391 HE2 HIS 49 HE2 HIS 49 -5.562 6.082 -3.905 392 H TRP 50 H TRP 50 -6.000 5.876 -10.431 393 HA TRP 50 HA TRP 50 -5.251 3.271 -9.286 394 1HB TRP 50 1HB TRP 50 -4.691 2.517 -11.502 395 2HB TRP 50 2HB TRP 50 -6.371 3.010 -11.431 396 HD1 TRP 50 HD1 TRP 50 -6.593 5.856 -12.298 397 HE1 TRP 50 HE1 TRP 50 -5.657 6.935 -14.516 398 HE3 TRP 50 HE3 TRP 50 -3.063 2.300 -13.159 399 HZ2 TRP 50 HZ2 TRP 50 -3.591 6.197 -16.342 400 HZ3 TRP 50 HZ3 TRP 50 -1.628 2.554 -15.182 401 HH2 TRP 50 HH2 TRP 50 -1.848 4.420 -16.745 402 H GLY 51 H GLY 51 -3.046 2.974 -8.871 403 1HA GLY 51 1HA GLY 51 -1.279 5.234 -9.597 404 2HA GLY 51 2HA GLY 51 -1.280 4.504 -8.004 405 H LYS 52 H LYS 52 0.658 4.661 -10.523 406 HA LYS 52 HA LYS 52 1.213 1.780 -10.626 407 1HB LYS 52 1HB LYS 52 0.714 2.692 -12.806 408 2HB LYS 52 2HB LYS 52 1.855 4.002 -12.582 409 1HG LYS 52 1HG LYS 52 3.717 2.635 -12.899 410 2HG LYS 52 2HG LYS 52 2.924 1.212 -12.252 411 1HD LYS 52 1HD LYS 52 1.610 0.924 -14.294 412 2HD LYS 52 2HD LYS 52 2.146 2.470 -14.922 413 1HE LYS 52 1HE LYS 52 4.581 1.333 -14.538 414 2HE LYS 52 2HE LYS 52 3.644 -0.133 -14.744 415 1HZ LYS 52 1HZ LYS 52 4.580 1.036 -16.786 416 2HZ LYS 52 2HZ LYS 52 3.049 0.474 -16.859 417 3HZ LYS 52 3HZ LYS 52 3.323 2.067 -16.631 418 H ASP 53 H ASP 53 3.151 1.000 -9.869 419 HA ASP 53 HA ASP 53 4.535 2.530 -8.060 420 1HB ASP 53 1HB ASP 53 4.674 0.150 -7.882 421 2HB ASP 53 2HB ASP 53 5.157 -0.036 -9.556 422 H VAL 54 H VAL 54 7.075 2.879 -8.250 423 HA VAL 54 HA VAL 54 7.610 3.990 -10.916 424 HB VAL 54 HB VAL 54 9.216 5.460 -9.650 425 1HG1 VAL 54 1HG1 VAL 54 6.903 6.119 -10.441 426 2HG1 VAL 54 2HG1 VAL 54 6.330 5.802 -8.786 427 3HG1 VAL 54 3HG1 VAL 54 7.547 7.067 -9.079 428 1HG2 VAL 54 1HG2 VAL 54 9.522 5.296 -7.439 429 2HG2 VAL 54 2HG2 VAL 54 7.772 5.231 -7.123 430 3HG2 VAL 54 3HG2 VAL 54 8.659 3.742 -7.531 431 H SER 55 H SER 55 9.031 2.832 -12.100 432 HA SER 55 HA SER 55 10.450 0.720 -10.970 433 1HB SER 55 1HB SER 55 9.995 1.865 -13.604 434 2HB SER 55 2HB SER 55 11.691 1.457 -13.432 435 HG SER 55 HG SER 55 9.455 -0.221 -13.616 436 H ILE 56 H ILE 56 12.486 0.623 -10.044 437 HA ILE 56 HA ILE 56 14.053 3.104 -10.151 438 HB ILE 56 HB ILE 56 13.142 2.514 -7.947 439 1HG1 ILE 56 1HG1 ILE 56 15.653 2.247 -6.929 440 2HG1 ILE 56 2HG1 ILE 56 16.028 2.793 -8.551 441 1HG2 ILE 56 1HG2 ILE 56 13.954 0.567 -6.733 442 2HG2 ILE 56 2HG2 ILE 56 13.098 0.072 -8.213 443 3HG2 ILE 56 3HG2 ILE 56 14.877 0.038 -8.160 444 1HD1 ILE 56 1HD1 ILE 56 14.656 4.781 -8.297 445 2HD1 ILE 56 2HD1 ILE 56 13.984 4.180 -6.762 446 3HD1 ILE 56 3HD1 ILE 56 15.696 4.658 -6.858 447 H GLU 57 H GLU 57 13.824 -0.155 -11.198 448 HA GLU 57 HA GLU 57 16.093 -0.051 -12.679 449 1HB GLU 57 1HB GLU 57 16.772 -0.503 -9.945 450 2HB GLU 57 2HB GLU 57 16.993 -2.039 -10.759 451 1HG GLU 57 1HG GLU 57 18.122 -0.327 -12.601 452 2HG GLU 57 2HG GLU 57 18.478 0.526 -11.112 453 H ASN 58 H ASN 58 14.818 -2.613 -10.423 454 HA ASN 58 HA ASN 58 13.102 -3.767 -12.173 455 1HB ASN 58 1HB ASN 58 15.878 -4.350 -12.869 456 2HB ASN 58 2HB ASN 58 15.090 -5.832 -12.365 457 1HD2 ASN 58 1HD2 ASN 58 14.682 -6.879 -14.175 458 2HD2 ASN 58 2HD2 ASN 58 13.793 -6.284 -15.536 459 H LEU 59 H LEU 59 12.033 -4.142 -10.136 460 HA LEU 59 HA LEU 59 12.618 -6.553 -8.850 461 1HB LEU 59 1HB LEU 59 14.231 -4.438 -7.953 462 2HB LEU 59 2HB LEU 59 12.993 -4.631 -6.727 463 HG LEU 59 HG LEU 59 13.991 -7.228 -7.464 464 1HD1 LEU 59 1HD1 LEU 59 16.108 -6.729 -8.017 465 2HD1 LEU 59 2HD1 LEU 59 16.021 -5.097 -7.312 466 3HD1 LEU 59 3HD1 LEU 59 16.327 -6.503 -6.265 467 1HD2 LEU 59 1HD2 LEU 59 13.040 -7.137 -5.383 468 2HD2 LEU 59 2HD2 LEU 59 14.763 -7.010 -4.952 469 3HD2 LEU 59 3HD2 LEU 59 13.747 -5.549 -5.001 470 H HIS 60 H HIS 60 10.415 -6.895 -9.277 471 HA HIS 60 HA HIS 60 8.688 -5.852 -7.291 472 1HB HIS 60 1HB HIS 60 7.117 -4.679 -8.688 473 2HB HIS 60 2HB HIS 60 8.696 -3.933 -8.829 474 HD1 HIS 60 HD1 HIS 60 5.974 -5.320 -10.837 475 HD2 HIS 60 HD2 HIS 60 10.094 -4.712 -11.334 476 HE1 HIS 60 HE1 HIS 60 6.421 -5.468 -13.344 477 HE2 HIS 60 HE2 HIS 60 8.959 -5.032 -13.592 478 H GLN 61 H GLN 61 6.512 -6.907 -7.411 479 HA GLN 61 HA GLN 61 6.811 -9.442 -8.809 480 1HB GLN 61 1HB GLN 61 5.742 -8.644 -6.166 481 2HB GLN 61 2HB GLN 61 4.704 -9.764 -7.023 482 1HG GLN 61 1HG GLN 61 6.423 -10.909 -5.581 483 2HG GLN 61 2HG GLN 61 6.509 -11.384 -7.266 484 1HE2 GLN 61 1HE2 GLN 61 8.231 -10.383 -4.629 485 2HE2 GLN 61 2HE2 GLN 61 9.693 -9.832 -5.378 486 H GLY 62 H GLY 62 5.516 -6.510 -9.400 487 1HA GLY 62 1HA GLY 62 4.107 -6.198 -11.268 488 2HA GLY 62 2HA GLY 62 3.237 -7.664 -10.863 489 H TYR 63 H TYR 63 3.884 -6.116 -7.938 490 HA TYR 63 HA TYR 63 1.203 -5.484 -7.473 491 1HB TYR 63 1HB TYR 63 3.850 -4.525 -6.215 492 2HB TYR 63 2HB TYR 63 2.292 -4.385 -5.426 493 HD1 TYR 63 HD1 TYR 63 4.900 -5.875 -4.530 494 HD2 TYR 63 HD2 TYR 63 1.254 -7.166 -6.360 495 HE1 TYR 63 HE1 TYR 63 5.202 -8.188 -3.517 496 HE2 TYR 63 HE2 TYR 63 1.569 -9.474 -5.341 497 HH TYR 63 HH TYR 63 4.197 -10.103 -3.079 498 H THR 64 H THR 64 3.732 -3.731 -9.119 499 HA THR 64 HA THR 64 3.337 -1.129 -8.599 500 HB THR 64 HB THR 64 3.961 -0.779 -10.983 501 HG1 THR 64 HG1 THR 64 3.585 -2.533 -12.413 502 1HG2 THR 64 1HG2 THR 64 5.553 -2.112 -9.265 503 2HG2 THR 64 2HG2 THR 64 5.224 -3.458 -10.382 504 3HG2 THR 64 3HG2 THR 64 5.986 -1.967 -10.985 505 H HIS 65 H HIS 65 0.967 -3.329 -10.038 506 HA HIS 65 HA HIS 65 -0.786 -1.026 -10.448 507 1HB HIS 65 1HB HIS 65 -0.734 -3.805 -11.625 508 2HB HIS 65 2HB HIS 65 -2.170 -2.803 -11.710 509 HD1 HIS 65 HD1 HIS 65 1.546 -2.504 -12.634 510 HD2 HIS 65 HD2 HIS 65 -2.227 -1.193 -13.914 511 HE1 HIS 65 HE1 HIS 65 1.936 -1.205 -14.795 512 HE2 HIS 65 HE2 HIS 65 -0.424 -0.471 -15.563 513 H ILE 66 H ILE 66 -2.067 -0.583 -8.729 514 HA ILE 66 HA ILE 66 -3.336 -2.865 -7.414 515 HB ILE 66 HB ILE 66 -2.980 -1.817 -5.227 516 1HG1 ILE 66 1HG1 ILE 66 -0.748 -0.110 -6.076 517 2HG1 ILE 66 2HG1 ILE 66 -2.303 0.454 -6.655 518 1HG2 ILE 66 1HG2 ILE 66 -1.098 -3.237 -6.814 519 2HG2 ILE 66 2HG2 ILE 66 -0.198 -2.064 -5.822 520 3HG2 ILE 66 3HG2 ILE 66 -1.289 -3.236 -5.044 521 1HD1 ILE 66 1HD1 ILE 66 -2.703 1.305 -4.597 522 2HD1 ILE 66 2HD1 ILE 66 -2.745 -0.357 -3.962 523 3HD1 ILE 66 3HD1 ILE 66 -1.218 0.557 -3.963 524 H PHE 67 H PHE 67 -5.486 -2.521 -6.848 525 HA PHE 67 HA PHE 67 -6.568 0.003 -7.849 526 1HB PHE 67 1HB PHE 67 -7.853 -2.693 -7.100 527 2HB PHE 67 2HB PHE 67 -8.694 -1.371 -7.886 528 HD1 PHE 67 HD1 PHE 67 -6.393 -0.635 -9.795 529 HD2 PHE 67 HD2 PHE 67 -8.212 -4.332 -8.782 530 HE1 PHE 67 HE1 PHE 67 -5.754 -1.563 -12.037 531 HE2 PHE 67 HE2 PHE 67 -7.574 -5.261 -11.025 532 HZ PHE 67 HZ PHE 67 -6.352 -3.865 -12.625 533 H GLU 68 H GLU 68 -7.355 1.510 -6.452 534 HA GLU 68 HA GLU 68 -8.052 0.542 -3.791 535 1HB GLU 68 1HB GLU 68 -7.228 2.821 -2.960 536 2HB GLU 68 2HB GLU 68 -5.987 1.693 -3.469 537 1HG GLU 68 1HG GLU 68 -7.044 3.448 -5.640 538 2HG GLU 68 2HG GLU 68 -6.189 4.294 -4.365 539 H SER 69 H SER 69 -9.996 1.311 -2.934 540 HA SER 69 HA SER 69 -11.352 3.293 -4.588 541 1HB SER 69 1HB SER 69 -12.269 0.977 -4.913 542 2HB SER 69 2HB SER 69 -12.628 0.894 -3.199 543 HG SER 69 HG SER 69 -14.344 2.191 -3.444 544 H THR 70 H THR 70 -11.740 5.135 -3.420 545 HA THR 70 HA THR 70 -11.552 5.026 -0.537 546 HB THR 70 HB THR 70 -11.960 7.290 -2.562 547 HG1 THR 70 HG1 THR 70 -9.633 7.536 -1.830 548 1HG2 THR 70 1HG2 THR 70 -10.941 7.532 0.299 549 2HG2 THR 70 2HG2 THR 70 -11.488 8.828 -0.792 550 3HG2 THR 70 3HG2 THR 70 -12.673 7.714 -0.068 551 H PHE 71 H PHE 71 -13.176 4.876 0.879 552 HA PHE 71 HA PHE 71 -15.847 5.556 -0.118 553 1HB PHE 71 1HB PHE 71 -14.668 3.038 1.001 554 2HB PHE 71 2HB PHE 71 -16.159 3.512 1.791 555 HD1 PHE 71 HD1 PHE 71 -18.247 3.744 0.432 556 HD2 PHE 71 HD2 PHE 71 -14.681 2.108 -1.185 557 HE1 PHE 71 HE1 PHE 71 -19.566 2.721 -1.443 558 HE2 PHE 71 HE2 PHE 71 -16.001 1.085 -3.060 559 HZ PHE 71 HZ PHE 71 -18.427 1.404 -3.166 560 H GLU 72 H GLU 72 -17.450 5.760 1.810 561 HA GLU 72 HA GLU 72 -16.019 6.785 4.127 562 1HB GLU 72 1HB GLU 72 -16.957 8.544 2.365 563 2HB GLU 72 2HB GLU 72 -18.495 8.203 3.132 564 1HG GLU 72 1HG GLU 72 -17.955 9.481 4.927 565 2HG GLU 72 2HG GLU 72 -16.482 8.570 5.193 566 H SER 73 H SER 73 -17.509 4.228 3.437 567 HA SER 73 HA SER 73 -19.107 4.240 5.806 568 1HB SER 73 1HB SER 73 -20.306 4.217 3.088 569 2HB SER 73 2HB SER 73 -20.875 2.927 4.128 570 HG SER 73 HG SER 73 -20.759 5.612 5.138 571 H LYS 74 H LYS 74 -18.424 2.418 6.866 572 HA LYS 74 HA LYS 74 -16.844 0.480 5.692 573 1HB LYS 74 1HB LYS 74 -16.705 0.766 8.023 574 2HB LYS 74 2HB LYS 74 -18.435 0.602 8.250 575 1HG LYS 74 1HG LYS 74 -18.387 -1.721 8.090 576 2HG LYS 74 2HG LYS 74 -17.023 -1.731 6.990 577 1HD LYS 74 1HD LYS 74 -15.472 -1.180 8.824 578 2HD LYS 74 2HD LYS 74 -16.806 -0.984 9.943 579 1HE LYS 74 1HE LYS 74 -17.137 -3.266 10.178 580 2HE LYS 74 2HE LYS 74 -16.708 -3.612 8.514 581 1HZ LYS 74 1HZ LYS 74 -14.419 -3.296 9.065 582 2HZ LYS 74 2HZ LYS 74 -14.777 -2.848 10.594 583 3HZ LYS 74 3HZ LYS 74 -15.059 -4.381 10.105 584 H GLU 75 H GLU 75 -20.398 0.497 6.367 585 HA GLU 75 HA GLU 75 -20.858 -2.078 5.516 586 1HB GLU 75 1HB GLU 75 -22.600 0.410 5.588 587 2HB GLU 75 2HB GLU 75 -23.237 -1.131 5.048 588 1HG GLU 75 1HG GLU 75 -22.477 -2.163 7.231 589 2HG GLU 75 2HG GLU 75 -21.963 -0.576 7.769 590 H ALA 76 H ALA 76 -20.659 1.020 3.701 591 HA ALA 76 HA ALA 76 -21.555 -0.069 1.250 592 1HB ALA 76 1HB ALA 76 -21.647 2.331 1.801 593 2HB ALA 76 2HB ALA 76 -19.869 2.390 1.877 594 3HB ALA 76 3HB ALA 76 -20.684 2.057 0.329 595 H VAL 77 H VAL 77 -18.394 0.223 2.903 596 HA VAL 77 HA VAL 77 -16.775 -0.337 0.710 597 HB VAL 77 HB VAL 77 -16.510 -0.719 3.684 598 1HG1 VAL 77 1HG1 VAL 77 -14.949 -2.292 3.222 599 2HG1 VAL 77 2HG1 VAL 77 -14.772 -1.775 1.528 600 3HG1 VAL 77 3HG1 VAL 77 -13.937 -0.883 2.823 601 1HG2 VAL 77 1HG2 VAL 77 -15.996 1.418 1.766 602 2HG2 VAL 77 2HG2 VAL 77 -16.077 1.471 3.544 603 3HG2 VAL 77 3HG2 VAL 77 -14.555 1.027 2.735 604 H ALA 78 H ALA 78 -18.606 -2.448 2.967 605 HA ALA 78 HA ALA 78 -17.459 -4.847 1.970 606 1HB ALA 78 1HB ALA 78 -20.156 -4.793 3.273 607 2HB ALA 78 2HB ALA 78 -18.763 -5.860 3.575 608 3HB ALA 78 3HB ALA 78 -18.769 -4.200 4.219 609 H GLU 79 H GLU 79 -20.491 -2.980 1.350 610 HA GLU 79 HA GLU 79 -21.683 -4.806 -0.301 611 1HB GLU 79 1HB GLU 79 -21.905 -1.905 0.239 612 2HB GLU 79 2HB GLU 79 -22.429 -2.348 -1.373 613 1HG GLU 79 1HG GLU 79 -24.312 -3.366 -0.593 614 2HG GLU 79 2HG GLU 79 -23.420 -4.263 0.620 615 H TYR 80 H TYR 80 -19.306 -2.191 -1.068 616 HA TYR 80 HA TYR 80 -19.345 -2.476 -3.832 617 1HB TYR 80 1HB TYR 80 -18.203 -0.596 -2.847 618 2HB TYR 80 2HB TYR 80 -17.432 -1.592 -1.629 619 HD1 TYR 80 HD1 TYR 80 -15.128 -1.413 -1.823 620 HD2 TYR 80 HD2 TYR 80 -17.474 -1.765 -5.383 621 HE1 TYR 80 HE1 TYR 80 -13.007 -1.473 -3.223 622 HE2 TYR 80 HE2 TYR 80 -15.345 -1.824 -6.772 623 HH TYR 80 HH TYR 80 -12.203 -2.032 -5.244 624 H ILE 81 H ILE 81 -17.246 -4.067 -1.335 625 HA ILE 81 HA ILE 81 -15.793 -5.546 -3.251 626 HB ILE 81 HB ILE 81 -16.156 -5.785 -0.270 627 1HG1 ILE 81 1HG1 ILE 81 -13.698 -4.945 -1.812 628 2HG1 ILE 81 2HG1 ILE 81 -14.941 -3.799 -1.353 629 1HG2 ILE 81 1HG2 ILE 81 -15.613 -7.974 -0.743 630 2HG2 ILE 81 2HG2 ILE 81 -14.653 -7.543 -2.179 631 3HG2 ILE 81 3HG2 ILE 81 -14.002 -7.240 -0.551 632 1HD1 ILE 81 1HD1 ILE 81 -12.856 -4.322 0.251 633 2HD1 ILE 81 2HD1 ILE 81 -14.467 -3.963 0.917 634 3HD1 ILE 81 3HD1 ILE 81 -13.914 -5.650 0.786 635 H ALA 82 H ALA 82 -18.992 -5.814 -1.938 636 HA ALA 82 HA ALA 82 -19.107 -8.621 -2.800 637 1HB ALA 82 1HB ALA 82 -19.684 -7.948 -0.385 638 2HB ALA 82 2HB ALA 82 -21.123 -7.155 -1.070 639 3HB ALA 82 3HB ALA 82 -20.898 -8.910 -1.262 640 H HIS 83 H HIS 83 -19.035 -6.320 -4.631 641 HA HIS 83 HA HIS 83 -21.810 -6.136 -5.478 642 1HB HIS 83 1HB HIS 83 -19.945 -4.216 -5.289 643 2HB HIS 83 2HB HIS 83 -19.610 -4.739 -6.928 644 HD1 HIS 83 HD1 HIS 83 -21.104 -3.828 -8.744 645 HD2 HIS 83 HD2 HIS 83 -22.758 -3.363 -4.918 646 HE1 HIS 83 HE1 HIS 83 -23.207 -2.415 -9.042 647 HE2 HIS 83 HE2 HIS 83 -24.209 -2.209 -6.665 648 HA PRO 84 HA PRO 84 -21.156 -9.078 -8.588 649 1HB PRO 84 1HB PRO 84 -23.314 -8.577 -10.188 650 2HB PRO 84 2HB PRO 84 -23.409 -9.533 -8.722 651 1HG PRO 84 1HG PRO 84 -24.326 -6.762 -9.189 652 2HG PRO 84 2HG PRO 84 -24.778 -7.866 -7.906 653 1HD PRO 84 1HD PRO 84 -22.968 -5.650 -7.705 654 2HD PRO 84 2HD PRO 84 -23.331 -6.823 -6.455 655 H ALA 85 H ALA 85 -21.648 -5.758 -9.528 656 HA ALA 85 HA ALA 85 -20.745 -6.078 -12.166 657 1HB ALA 85 1HB ALA 85 -21.079 -3.817 -12.281 658 2HB ALA 85 2HB ALA 85 -21.934 -4.100 -10.746 659 3HB ALA 85 3HB ALA 85 -20.255 -3.508 -10.734 660 H HIS 86 H HIS 86 -19.094 -5.386 -9.039 661 HA HIS 86 HA HIS 86 -16.583 -4.932 -10.243 662 1HB HIS 86 1HB HIS 86 -16.816 -3.959 -8.156 663 2HB HIS 86 2HB HIS 86 -17.606 -5.360 -7.460 664 HD1 HIS 86 HD1 HIS 86 -14.147 -4.170 -8.530 665 HD2 HIS 86 HD2 HIS 86 -15.926 -7.141 -6.162 666 HE1 HIS 86 HE1 HIS 86 -12.246 -5.309 -7.264 667 HE2 HIS 86 HE2 HIS 86 -13.407 -7.088 -5.785 668 H VAL 87 H VAL 87 -18.307 -7.797 -8.949 669 HA VAL 87 HA VAL 87 -16.067 -9.508 -9.020 670 HB VAL 87 HB VAL 87 -18.979 -9.678 -8.613 671 1HG1 VAL 87 1HG1 VAL 87 -17.414 -12.042 -9.694 672 2HG1 VAL 87 2HG1 VAL 87 -18.967 -12.183 -8.834 673 3HG1 VAL 87 3HG1 VAL 87 -18.881 -11.302 -10.379 674 1HG2 VAL 87 1HG2 VAL 87 -16.507 -10.204 -7.197 675 2HG2 VAL 87 2HG2 VAL 87 -18.157 -9.999 -6.562 676 3HG2 VAL 87 3HG2 VAL 87 -17.602 -11.604 -7.095 677 H GLU 88 H GLU 88 -18.555 -8.510 -11.396 678 HA GLU 88 HA GLU 88 -18.134 -10.462 -13.261 679 1HB GLU 88 1HB GLU 88 -19.848 -8.479 -13.162 680 2HB GLU 88 2HB GLU 88 -18.630 -7.571 -14.036 681 1HG GLU 88 1HG GLU 88 -19.883 -8.479 -15.800 682 2HG GLU 88 2HG GLU 88 -18.584 -9.647 -15.663 683 H PHE 89 H PHE 89 -16.395 -7.329 -12.767 684 HA PHE 89 HA PHE 89 -14.675 -7.772 -14.994 685 1HB PHE 89 1HB PHE 89 -15.451 -5.699 -13.196 686 2HB PHE 89 2HB PHE 89 -13.763 -5.973 -12.811 687 HD1 PHE 89 HD1 PHE 89 -12.692 -4.091 -13.671 688 HD2 PHE 89 HD2 PHE 89 -15.433 -6.202 -16.128 689 HE1 PHE 89 HE1 PHE 89 -12.015 -2.683 -15.635 690 HE2 PHE 89 HE2 PHE 89 -14.756 -4.794 -18.093 691 HZ PHE 89 HZ PHE 89 -13.055 -3.051 -17.823 692 H ALA 90 H ALA 90 -14.381 -8.040 -11.393 693 HA ALA 90 HA ALA 90 -11.690 -8.652 -11.295 694 1HB ALA 90 1HB ALA 90 -14.102 -9.177 -9.577 695 2HB ALA 90 2HB ALA 90 -12.566 -9.979 -9.169 696 3HB ALA 90 3HB ALA 90 -12.653 -8.202 -9.234 697 H THR 91 H THR 91 -14.563 -10.845 -11.615 698 HA THR 91 HA THR 91 -13.114 -13.228 -11.668 699 HB THR 91 HB THR 91 -15.771 -12.474 -12.999 700 HG1 THR 91 HG1 THR 91 -14.999 -13.591 -10.395 701 1HG2 THR 91 1HG2 THR 91 -14.659 -15.136 -11.962 702 2HG2 THR 91 2HG2 THR 91 -16.336 -14.870 -12.498 703 3HG2 THR 91 3HG2 THR 91 -14.998 -14.747 -13.666 704 H ILE 92 H ILE 92 -13.952 -10.918 -14.291 705 HA ILE 92 HA ILE 92 -13.032 -12.575 -16.364 706 HB ILE 92 HB ILE 92 -13.666 -9.672 -16.039 707 1HG1 ILE 92 1HG1 ILE 92 -14.736 -11.731 -17.985 708 2HG1 ILE 92 2HG1 ILE 92 -15.403 -11.487 -16.383 709 1HG2 ILE 92 1HG2 ILE 92 -12.048 -9.165 -17.523 710 2HG2 ILE 92 2HG2 ILE 92 -11.900 -10.840 -18.107 711 3HG2 ILE 92 3HG2 ILE 92 -13.218 -9.802 -18.703 712 1HD1 ILE 92 1HD1 ILE 92 -15.313 -9.514 -18.693 713 2HD1 ILE 92 2HD1 ILE 92 -16.734 -10.113 -17.803 714 3HD1 ILE 92 3HD1 ILE 92 -15.607 -8.978 -17.021 715 H PHE 93 H PHE 93 -11.436 -10.453 -14.019 716 HA PHE 93 HA PHE 93 -9.012 -10.238 -15.473 717 1HB PHE 93 1HB PHE 93 -10.266 -9.162 -13.177 718 2HB PHE 93 2HB PHE 93 -8.969 -10.117 -12.488 719 HD1 PHE 93 HD1 PHE 93 -7.508 -8.467 -11.700 720 HD2 PHE 93 HD2 PHE 93 -8.919 -8.246 -15.696 721 HE1 PHE 93 HE1 PHE 93 -5.890 -6.606 -12.168 722 HE2 PHE 93 HE2 PHE 93 -7.300 -6.385 -16.164 723 HZ PHE 93 HZ PHE 93 -5.805 -5.587 -14.395 724 H LEU 94 H LEU 94 -10.100 -12.252 -12.652 725 HA LEU 94 HA LEU 94 -7.723 -13.587 -12.252 726 1HB LEU 94 1HB LEU 94 -10.595 -14.101 -11.670 727 2HB LEU 94 2HB LEU 94 -9.486 -15.449 -11.514 728 HG LEU 94 HG LEU 94 -8.683 -12.906 -10.188 729 1HD1 LEU 94 1HD1 LEU 94 -10.097 -13.396 -8.214 730 2HD1 LEU 94 2HD1 LEU 94 -11.035 -12.911 -9.646 731 3HD1 LEU 94 3HD1 LEU 94 -10.962 -14.624 -9.169 732 1HD2 LEU 94 1HD2 LEU 94 -8.205 -14.738 -8.366 733 2HD2 LEU 94 2HD2 LEU 94 -8.369 -15.852 -9.745 734 3HD2 LEU 94 3HD2 LEU 94 -7.144 -14.561 -9.784 735 H GLY 95 H GLY 95 -10.077 -13.842 -14.853 736 1HA GLY 95 1HA GLY 95 -9.563 -16.451 -15.728 737 2HA GLY 95 2HA GLY 95 -10.153 -15.118 -16.700 738 H SER 96 H SER 96 -7.582 -13.551 -15.771 739 HA SER 96 HA SER 96 -5.513 -15.033 -17.041 740 1HB SER 96 1HB SER 96 -6.886 -12.731 -18.443 741 2HB SER 96 2HB SER 96 -5.170 -12.983 -18.691 742 HG SER 96 HG SER 96 -7.320 -14.398 -19.714 743 H LEU 97 H LEU 97 -5.695 -14.133 -14.426 744 HA LEU 97 HA LEU 97 -3.964 -11.757 -14.435 745 1HB LEU 97 1HB LEU 97 -6.391 -12.349 -13.006 746 2HB LEU 97 2HB LEU 97 -5.071 -12.146 -11.871 747 HG LEU 97 HG LEU 97 -6.356 -10.067 -12.330 748 1HD1 LEU 97 1HD1 LEU 97 -4.351 -9.482 -11.437 749 2HD1 LEU 97 2HD1 LEU 97 -3.412 -10.316 -12.698 750 3HD1 LEU 97 3HD1 LEU 97 -4.157 -8.736 -13.042 751 1HD2 LEU 97 1HD2 LEU 97 -5.295 -10.491 -15.124 752 2HD2 LEU 97 2HD2 LEU 97 -6.972 -10.221 -14.593 753 3HD2 LEU 97 3HD2 LEU 97 -5.792 -8.891 -14.522 754 H ASP 98 H ASP 98 -1.976 -11.905 -13.448 755 HA ASP 98 HA ASP 98 -0.933 -14.438 -13.089 756 1HB ASP 98 1HB ASP 98 0.384 -12.374 -13.623 757 2HB ASP 98 2HB ASP 98 0.066 -11.758 -12.014 758 H LYS 99 H LYS 99 -1.327 -11.772 -10.621 759 HA LYS 99 HA LYS 99 -2.316 -13.715 -8.709 760 1HB LYS 99 1HB LYS 99 0.210 -12.106 -8.231 761 2HB LYS 99 2HB LYS 99 -0.659 -12.994 -6.996 762 1HG LYS 99 1HG LYS 99 -0.397 -15.085 -8.478 763 2HG LYS 99 2HG LYS 99 0.693 -14.144 -9.477 764 1HD LYS 99 1HD LYS 99 1.044 -14.888 -6.543 765 2HD LYS 99 2HD LYS 99 2.058 -15.361 -7.891 766 1HE LYS 99 1HE LYS 99 2.171 -12.605 -8.094 767 2HE LYS 99 2HE LYS 99 2.015 -12.804 -6.360 768 1HZ LYS 99 1HZ LYS 99 4.105 -13.439 -6.292 769 2HZ LYS 99 2HZ LYS 99 3.838 -14.676 -7.324 770 3HZ LYS 99 3HZ LYS 99 4.262 -13.208 -7.901 771 H VAL 100 H VAL 100 -3.465 -12.716 -6.936 772 HA VAL 100 HA VAL 100 -3.713 -9.844 -6.980 773 HB VAL 100 HB VAL 100 -5.316 -10.046 -8.579 774 1HG1 VAL 100 1HG1 VAL 100 -7.015 -12.123 -8.339 775 2HG1 VAL 100 2HG1 VAL 100 -5.491 -12.212 -9.254 776 3HG1 VAL 100 3HG1 VAL 100 -5.568 -12.842 -7.591 777 1HG2 VAL 100 1HG2 VAL 100 -7.205 -9.355 -7.556 778 2HG2 VAL 100 2HG2 VAL 100 -7.347 -10.842 -6.587 779 3HG2 VAL 100 3HG2 VAL 100 -6.255 -9.538 -6.062 780 H LEU 101 H LEU 101 -3.911 -9.151 -4.905 781 HA LEU 101 HA LEU 101 -5.094 -11.027 -2.991 782 1HB LEU 101 1HB LEU 101 -2.382 -9.791 -2.954 783 2HB LEU 101 2HB LEU 101 -3.241 -9.935 -1.433 784 HG LEU 101 HG LEU 101 -1.865 -11.842 -1.596 785 1HD1 LEU 101 1HD1 LEU 101 -3.396 -13.352 -0.984 786 2HD1 LEU 101 2HD1 LEU 101 -4.586 -12.072 -1.325 787 3HD1 LEU 101 3HD1 LEU 101 -4.221 -13.301 -2.560 788 1HD2 LEU 101 1HD2 LEU 101 -2.713 -13.214 -3.941 789 2HD2 LEU 101 2HD2 LEU 101 -2.259 -11.556 -4.405 790 3HD2 LEU 101 3HD2 LEU 101 -1.097 -12.586 -3.536 791 H VAL 102 H VAL 102 -6.570 -10.105 -1.628 792 HA VAL 102 HA VAL 102 -6.954 -7.229 -1.971 793 HB VAL 102 HB VAL 102 -9.184 -7.719 -0.972 794 1HG1 VAL 102 1HG1 VAL 102 -9.282 -7.538 -3.278 795 2HG1 VAL 102 2HG1 VAL 102 -8.239 -8.955 -3.544 796 3HG1 VAL 102 3HG1 VAL 102 -9.927 -9.177 -3.025 797 1HG2 VAL 102 1HG2 VAL 102 -8.417 -10.634 -1.324 798 2HG2 VAL 102 2HG2 VAL 102 -8.471 -9.791 0.243 799 3HG2 VAL 102 3HG2 VAL 102 -9.959 -9.985 -0.715 800 H ILE 103 H ILE 103 -6.254 -5.862 -0.418 801 HA ILE 103 HA ILE 103 -6.234 -6.856 2.330 802 HB ILE 103 HB ILE 103 -3.914 -5.396 1.066 803 1HG1 ILE 103 1HG1 ILE 103 -4.177 -7.708 0.182 804 2HG1 ILE 103 2HG1 ILE 103 -2.691 -7.451 1.074 805 1HG2 ILE 103 1HG2 ILE 103 -4.487 -6.431 3.835 806 2HG2 ILE 103 2HG2 ILE 103 -2.819 -6.229 3.248 807 3HG2 ILE 103 3HG2 ILE 103 -3.912 -4.826 3.324 808 1HD1 ILE 103 1HD1 ILE 103 -5.026 -8.398 2.689 809 2HD1 ILE 103 2HD1 ILE 103 -4.340 -9.561 1.529 810 3HD1 ILE 103 3HD1 ILE 103 -3.309 -8.854 2.796 811 H ASP 104 H ASP 104 -6.672 -5.261 3.899 812 HA ASP 104 HA ASP 104 -7.814 -2.883 2.726 813 1HB ASP 104 1HB ASP 104 -9.003 -4.425 4.440 814 2HB ASP 104 2HB ASP 104 -7.912 -3.764 5.641 815 H TYR 105 H TYR 105 -7.233 -0.728 3.578 816 HA TYR 105 HA TYR 105 -4.655 -0.726 5.000 817 1HB TYR 105 1HB TYR 105 -4.565 0.062 2.627 818 2HB TYR 105 2HB TYR 105 -5.969 1.080 2.879 819 HD1 TYR 105 HD1 TYR 105 -2.354 0.763 3.343 820 HD2 TYR 105 HD2 TYR 105 -5.783 3.186 4.165 821 HE1 TYR 105 HE1 TYR 105 -0.840 2.715 3.945 822 HE2 TYR 105 HE2 TYR 105 -4.257 5.130 4.764 823 HH TYR 105 HH TYR 105 -1.598 5.656 3.919 824 H LYS 106 H LYS 106 -4.937 -0.117 7.089 825 HA LYS 106 HA LYS 106 -6.849 2.064 7.558 826 1HB LYS 106 1HB LYS 106 -7.532 -0.278 8.364 827 2HB LYS 106 2HB LYS 106 -6.252 -0.128 9.550 828 1HG LYS 106 1HG LYS 106 -7.275 2.023 10.359 829 2HG LYS 106 2HG LYS 106 -8.573 1.829 9.197 830 1HD LYS 106 1HD LYS 106 -9.449 -0.097 10.304 831 2HD LYS 106 2HD LYS 106 -7.960 -0.386 11.182 832 1HE LYS 106 1HE LYS 106 -8.802 0.797 12.924 833 2HE LYS 106 2HE LYS 106 -8.760 2.239 11.928 834 1HZ LYS 106 1HZ LYS 106 -10.966 1.646 12.823 835 2HZ LYS 106 2HZ LYS 106 -10.944 1.814 11.199 836 3HZ LYS 106 3HZ LYS 106 -10.983 0.323 11.866 837 HA PRO 107 HA PRO 107 -3.290 4.015 9.091 838 1HB PRO 107 1HB PRO 107 -4.452 6.326 9.972 839 2HB PRO 107 2HB PRO 107 -3.991 6.062 8.302 840 1HG PRO 107 1HG PRO 107 -6.690 6.025 9.507 841 2HG PRO 107 2HG PRO 107 -6.242 6.188 7.821 842 1HD PRO 107 1HD PRO 107 -7.262 3.835 9.106 843 2HD PRO 107 2HD PRO 107 -6.706 3.967 7.449 844 H THR 108 H THR 108 -2.219 3.201 10.773 845 HA THR 108 HA THR 108 -3.548 3.628 13.361 846 HB THR 108 HB THR 108 -2.147 1.099 12.343 847 HG1 THR 108 HG1 THR 108 -4.849 1.790 13.265 848 1HG2 THR 108 1HG2 THR 108 -2.395 0.166 14.477 849 2HG2 THR 108 2HG2 THR 108 -2.053 1.851 14.938 850 3HG2 THR 108 3HG2 THR 108 -3.732 1.259 14.907 851 H SER 109 H SER 109 -2.084 5.630 12.922 852 HA SER 109 HA SER 109 0.688 5.097 13.268 853 1HB SER 109 1HB SER 109 0.742 7.675 13.527 854 2HB SER 109 2HB SER 109 0.238 7.026 11.979 855 HG SER 109 HG SER 109 -1.287 8.363 13.969 856 H VAL 110 H VAL 110 1.977 5.824 15.145 857 HA VAL 110 HA VAL 110 0.390 5.676 17.603 858 HB VAL 110 HB VAL 110 3.287 5.072 16.992 859 1HG1 VAL 110 1HG1 VAL 110 3.359 4.250 19.375 860 2HG1 VAL 110 2HG1 VAL 110 3.252 6.017 19.191 861 3HG1 VAL 110 3HG1 VAL 110 1.807 5.080 19.638 862 1HG2 VAL 110 1HG2 VAL 110 2.215 3.183 16.279 863 2HG2 VAL 110 2HG2 VAL 110 2.339 2.792 18.011 864 3HG2 VAL 110 3HG2 VAL 110 0.816 3.434 17.351 865 H SER 111 H SER 111 0.664 7.223 19.266 866 HA SER 111 HA SER 111 1.289 9.783 18.306 867 1HB SER 111 1HB SER 111 -0.438 9.457 20.004 868 2HB SER 111 2HB SER 111 0.713 8.729 21.107 869 HG SER 111 HG SER 111 1.539 11.249 20.253 870 H LEU 112 H LEU 112 3.076 11.161 18.816 871 HA LEU 112 HA LEU 112 5.381 9.706 19.902 872 1HB LEU 112 1HB LEU 112 5.360 12.118 18.086 873 2HB LEU 112 2HB LEU 112 6.762 11.208 18.611 874 HG LEU 112 HG LEU 112 4.531 10.070 16.905 875 1HD1 LEU 112 1HD1 LEU 112 6.143 10.231 15.032 876 2HD1 LEU 112 2HD1 LEU 112 5.641 11.818 15.663 877 3HD1 LEU 112 3HD1 LEU 112 7.238 11.156 16.086 878 1HD2 LEU 112 1HD2 LEU 112 6.426 8.366 16.418 879 2HD2 LEU 112 2HD2 LEU 112 7.130 8.967 17.939 880 3HD2 LEU 112 3HD2 LEU 112 5.506 8.237 17.937 881 1H GLY 1 1H GLY 1 11.506 23.644 11.871 882 1HA GLY 1 1HA GLY 1 8.940 22.813 12.735 883 2HA GLY 1 2HA GLY 1 8.800 24.264 11.762 884 H SER 2 H SER 2 7.796 23.236 9.971 885 HA SER 2 HA SER 2 8.918 20.912 8.848 886 1HB SER 2 1HB SER 2 6.563 21.310 8.544 887 2HB SER 2 2HB SER 2 6.838 22.916 7.899 888 HG SER 2 HG SER 2 7.699 22.025 5.986 889 H HIS 3 H HIS 3 9.045 24.445 8.131 890 HA HIS 3 HA HIS 3 10.286 25.640 6.769 891 1HB HIS 3 1HB HIS 3 12.086 23.590 7.873 892 2HB HIS 3 2HB HIS 3 12.679 24.326 6.397 893 HD1 HIS 3 HD1 HIS 3 14.578 25.350 8.023 894 HD2 HIS 3 HD2 HIS 3 10.687 26.822 8.564 895 HE1 HIS 3 HE1 HIS 3 14.809 27.503 9.374 896 H MET 4 H MET 4 11.705 25.552 4.600 897 HA MET 4 HA MET 4 11.719 25.128 2.469 898 1HB MET 4 1HB MET 4 11.199 22.353 3.606 899 2HB MET 4 2HB MET 4 11.190 22.566 1.866 900 1HG MET 4 1HG MET 4 13.451 22.150 2.112 901 2HG MET 4 2HG MET 4 13.503 23.877 2.404 902 1HE MET 4 1HE MET 4 15.878 21.762 4.942 903 2HE MET 4 2HE MET 4 15.427 21.474 3.245 904 3HE MET 4 3HE MET 4 15.962 23.091 3.761 905 H GLU 5 H GLU 5 10.353 24.775 0.513 906 HA GLU 5 HA GLU 5 7.869 25.789 0.791 907 1HB GLU 5 1HB GLU 5 8.535 23.826 -1.427 908 2HB GLU 5 2HB GLU 5 7.531 25.260 -1.516 909 1HG GLU 5 1HG GLU 5 10.548 25.061 -1.405 910 2HG GLU 5 2HG GLU 5 9.548 25.976 -2.516 911 H GLU 6 H GLU 6 5.718 24.965 0.888 912 HA GLU 6 HA GLU 6 5.559 22.468 2.234 913 1HB GLU 6 1HB GLU 6 3.198 23.020 2.530 914 2HB GLU 6 2HB GLU 6 4.166 24.443 2.860 915 1HG GLU 6 1HG GLU 6 3.732 24.759 0.160 916 2HG GLU 6 2HG GLU 6 2.263 23.921 0.618 917 H ALA 7 H ALA 7 5.511 20.531 1.186 918 HA ALA 7 HA ALA 7 3.789 20.278 -1.131 919 1HB ALA 7 1HB ALA 7 5.713 20.781 -2.361 920 2HB ALA 7 2HB ALA 7 6.796 20.013 -1.175 921 3HB ALA 7 3HB ALA 7 5.795 19.006 -2.249 922 H LYS 8 H LYS 8 4.141 17.736 -1.868 923 HA LYS 8 HA LYS 8 4.844 15.923 0.125 924 1HB LYS 8 1HB LYS 8 2.781 17.119 1.161 925 2HB LYS 8 2HB LYS 8 1.844 16.197 0.002 926 1HG LYS 8 1HG LYS 8 3.654 14.320 1.117 927 2HG LYS 8 2HG LYS 8 3.131 15.294 2.477 928 1HD LYS 8 1HD LYS 8 0.838 14.689 0.787 929 2HD LYS 8 2HD LYS 8 1.685 13.203 1.168 930 1HE LYS 8 1HE LYS 8 1.337 13.429 3.486 931 2HE LYS 8 2HE LYS 8 1.187 15.173 3.405 932 1HZ LYS 8 1HZ LYS 8 -0.924 14.863 2.274 933 2HZ LYS 8 2HZ LYS 8 -0.786 13.241 2.399 934 3HZ LYS 8 3HZ LYS 8 -0.934 14.154 3.745 935 H GLY 9 H GLY 9 2.244 16.507 -2.349 936 1HA GLY 9 1HA GLY 9 3.136 15.293 -4.500 937 2HA GLY 9 2HA GLY 9 2.818 13.883 -3.509 938 HA PRO 10 HA PRO 10 1.454 13.961 -1.663 939 1HB PRO 10 1HB PRO 10 -0.417 12.108 -0.933 940 2HB PRO 10 2HB PRO 10 -0.465 13.778 -0.403 941 1HG PRO 10 1HG PRO 10 -2.128 12.432 -2.443 942 2HG PRO 10 2HG PRO 10 -2.426 13.943 -1.606 943 1HD PRO 10 1HD PRO 10 -1.501 13.629 -4.303 944 2HD PRO 10 2HD PRO 10 -1.688 15.136 -3.428 945 H VAL 11 H VAL 11 2.778 12.213 -1.120 946 HA VAL 11 HA VAL 11 2.677 10.097 -3.151 947 HB VAL 11 HB VAL 11 4.935 11.857 -2.305 948 1HG1 VAL 11 1HG1 VAL 11 5.114 8.905 -2.756 949 2HG1 VAL 11 2HG1 VAL 11 6.390 9.940 -3.439 950 3HG1 VAL 11 3HG1 VAL 11 6.069 9.961 -1.689 951 1HG2 VAL 11 1HG2 VAL 11 4.284 10.529 -4.956 952 2HG2 VAL 11 2HG2 VAL 11 3.732 12.151 -4.473 953 3HG2 VAL 11 3HG2 VAL 11 5.471 11.822 -4.661 954 H LYS 12 H LYS 12 2.811 8.027 -2.350 955 HA LYS 12 HA LYS 12 3.572 7.775 0.468 956 1HB LYS 12 1HB LYS 12 0.957 7.225 -0.761 957 2HB LYS 12 2HB LYS 12 1.598 5.875 0.154 958 1HG LYS 12 1HG LYS 12 1.578 7.043 2.178 959 2HG LYS 12 2HG LYS 12 1.808 8.602 1.411 960 1HD LYS 12 1HD LYS 12 -0.632 7.991 0.377 961 2HD LYS 12 2HD LYS 12 -0.730 7.056 1.855 962 1HE LYS 12 1HE LYS 12 0.365 9.567 2.630 963 2HE LYS 12 2HE LYS 12 -0.916 9.951 1.497 964 1HZ LYS 12 1HZ LYS 12 -2.241 9.637 3.223 965 2HZ LYS 12 2HZ LYS 12 -2.001 8.033 3.037 966 3HZ LYS 12 3HZ LYS 12 -1.107 8.872 4.115 967 H HIS 13 H HIS 13 4.929 6.073 0.901 968 HA HIS 13 HA HIS 13 5.690 4.507 -1.432 969 1HB HIS 13 1HB HIS 13 7.656 5.311 -0.653 970 2HB HIS 13 2HB HIS 13 7.060 5.522 0.981 971 HD1 HIS 13 HD1 HIS 13 7.077 3.354 2.554 972 HD2 HIS 13 HD2 HIS 13 9.065 2.953 -1.118 973 HE1 HIS 13 HE1 HIS 13 8.536 1.271 2.755 974 HE2 HIS 13 HE2 HIS 13 9.691 1.045 0.450 975 H VAL 14 H VAL 14 5.434 2.289 -1.546 976 HA VAL 14 HA VAL 14 4.163 1.063 0.805 977 HB VAL 14 HB VAL 14 3.677 0.686 -2.149 978 1HG1 VAL 14 1HG1 VAL 14 1.879 -0.983 -1.120 979 2HG1 VAL 14 2HG1 VAL 14 3.523 -1.519 -1.539 980 3HG1 VAL 14 3HG1 VAL 14 3.114 -1.142 0.152 981 1HG2 VAL 14 1HG2 VAL 14 2.537 2.561 -0.846 982 2HG2 VAL 14 2HG2 VAL 14 1.471 1.436 -1.721 983 3HG2 VAL 14 3HG2 VAL 14 1.673 1.281 0.041 984 H LEU 15 H LEU 15 5.314 -0.542 1.745 985 HA LEU 15 HA LEU 15 7.179 -2.019 0.040 986 1HB LEU 15 1HB LEU 15 8.593 -0.448 1.057 987 2HB LEU 15 2HB LEU 15 7.786 -0.581 2.608 988 HG LEU 15 HG LEU 15 8.999 -3.097 1.650 989 1HD1 LEU 15 1HD1 LEU 15 10.996 -2.319 1.077 990 2HD1 LEU 15 2HD1 LEU 15 10.535 -0.656 1.512 991 3HD1 LEU 15 3HD1 LEU 15 11.201 -1.747 2.750 992 1HD2 LEU 15 1HD2 LEU 15 7.955 -2.680 3.906 993 2HD2 LEU 15 2HD2 LEU 15 9.598 -3.365 3.934 994 3HD2 LEU 15 3HD2 LEU 15 9.348 -1.636 4.276 995 H LEU 16 H LEU 16 7.372 -4.221 0.540 996 HA LEU 16 HA LEU 16 5.584 -5.118 2.693 997 1HB LEU 16 1HB LEU 16 4.487 -5.618 0.676 998 2HB LEU 16 2HB LEU 16 5.961 -6.156 -0.104 999 HG LEU 16 HG LEU 16 4.318 -7.958 0.536 1000 1HD1 LEU 16 1HD1 LEU 16 6.998 -8.049 0.320 1001 2HD1 LEU 16 2HD1 LEU 16 6.813 -8.636 1.990 1002 3HD1 LEU 16 3HD1 LEU 16 5.988 -9.476 0.655 1003 1HD2 LEU 16 1HD2 LEU 16 3.462 -7.434 2.615 1004 2HD2 LEU 16 2HD2 LEU 16 4.650 -8.697 3.015 1005 3HD2 LEU 16 3HD2 LEU 16 5.050 -6.983 3.279 1006 H ALA 17 H ALA 17 6.549 -6.284 4.272 1007 HA ALA 17 HA ALA 17 9.012 -7.702 3.581 1008 1HB ALA 17 1HB ALA 17 8.763 -5.321 5.245 1009 2HB ALA 17 2HB ALA 17 9.397 -6.697 6.180 1010 3HB ALA 17 3HB ALA 17 10.227 -6.171 4.696 1011 H SER 18 H SER 18 9.289 -9.654 4.709 1012 HA SER 18 HA SER 18 7.123 -10.265 6.563 1013 1HB SER 18 1HB SER 18 8.053 -11.726 4.128 1014 2HB SER 18 2HB SER 18 7.720 -12.728 5.527 1015 HG SER 18 HG SER 18 5.742 -10.805 5.104 1016 H PHE 19 H PHE 19 7.714 -11.506 8.413 1017 HA PHE 19 HA PHE 19 10.550 -11.493 8.947 1018 1HB PHE 19 1HB PHE 19 7.992 -12.209 10.497 1019 2HB PHE 19 2HB PHE 19 9.582 -12.301 11.228 1020 HD1 PHE 19 HD1 PHE 19 6.894 -10.108 10.187 1021 HD2 PHE 19 HD2 PHE 19 10.895 -10.228 11.598 1022 HE1 PHE 19 HE1 PHE 19 6.746 -7.682 10.816 1023 HE2 PHE 19 HE2 PHE 19 10.746 -7.802 12.226 1024 HZ PHE 19 HZ PHE 19 8.673 -6.558 11.827 1025 H LYS 20 H LYS 20 11.820 -13.208 8.435 1026 HA LYS 20 HA LYS 20 10.960 -15.593 7.460 1027 1HB LYS 20 1HB LYS 20 13.485 -14.742 8.860 1028 2HB LYS 20 2HB LYS 20 13.270 -16.409 8.366 1029 1HG LYS 20 1HG LYS 20 12.682 -15.526 6.023 1030 2HG LYS 20 2HG LYS 20 13.190 -13.941 6.573 1031 1HD LYS 20 1HD LYS 20 15.430 -14.502 6.583 1032 2HD LYS 20 2HD LYS 20 15.130 -16.139 7.134 1033 1HE LYS 20 1HE LYS 20 14.056 -15.664 4.424 1034 2HE LYS 20 2HE LYS 20 15.782 -15.371 4.512 1035 1HZ LYS 20 1HZ LYS 20 15.316 -17.663 4.053 1036 2HZ LYS 20 2HZ LYS 20 16.032 -17.546 5.516 1037 3HZ LYS 20 3HZ LYS 20 14.425 -17.818 5.413 1038 H ASP 21 H ASP 21 11.461 -17.838 8.594 1039 HA ASP 21 HA ASP 21 9.856 -17.761 11.000 1040 1HB ASP 21 1HB ASP 21 9.807 -20.307 10.598 1041 2HB ASP 21 2HB ASP 21 8.983 -19.310 9.416 1042 H GLY 22 H GLY 22 11.246 -17.467 12.784 1043 1HA GLY 22 1HA GLY 22 12.714 -19.365 13.947 1044 2HA GLY 22 2HA GLY 22 13.871 -18.721 12.799 1045 H VAL 23 H VAL 23 12.435 -15.974 12.976 1046 HA VAL 23 HA VAL 23 14.079 -14.986 15.094 1047 HB VAL 23 HB VAL 23 13.693 -13.880 12.891 1048 1HG1 VAL 23 1HG1 VAL 23 11.101 -14.380 13.142 1049 2HG1 VAL 23 2HG1 VAL 23 11.103 -12.776 13.914 1050 3HG1 VAL 23 3HG1 VAL 23 11.688 -12.960 12.243 1051 1HG2 VAL 23 1HG2 VAL 23 12.763 -11.882 14.888 1052 2HG2 VAL 23 2HG2 VAL 23 14.250 -12.776 15.287 1053 3HG2 VAL 23 3HG2 VAL 23 14.153 -11.837 13.777 1054 H SER 24 H SER 24 13.495 -14.359 17.148 1055 HA SER 24 HA SER 24 11.291 -15.481 18.288 1056 1HB SER 24 1HB SER 24 13.186 -13.275 19.071 1057 2HB SER 24 2HB SER 24 11.755 -13.510 20.055 1058 HG SER 24 HG SER 24 12.756 -15.964 19.648 1059 HA PRO 25 HA PRO 25 8.039 -12.727 17.410 1060 1HB PRO 25 1HB PRO 25 6.359 -13.126 19.528 1061 2HB PRO 25 2HB PRO 25 6.454 -14.219 18.162 1062 1HG PRO 25 1HG PRO 25 7.531 -14.567 20.893 1063 2HG PRO 25 2HG PRO 25 7.241 -15.782 19.665 1064 1HD PRO 25 1HD PRO 25 9.776 -14.670 20.413 1065 2HD PRO 25 2HD PRO 25 9.471 -15.798 19.107 1066 H GLU 26 H GLU 26 9.405 -12.455 20.612 1067 HA GLU 26 HA GLU 26 8.283 -10.004 21.201 1068 1HB GLU 26 1HB GLU 26 9.712 -11.728 22.629 1069 2HB GLU 26 2HB GLU 26 11.065 -10.730 22.134 1070 1HG GLU 26 1HG GLU 26 9.710 -8.698 22.969 1071 2HG GLU 26 2HG GLU 26 8.591 -9.843 23.682 1072 H LYS 27 H LYS 27 11.077 -10.926 19.196 1073 HA LYS 27 HA LYS 27 12.235 -8.355 19.084 1074 1HB LYS 27 1HB LYS 27 13.001 -10.873 18.360 1075 2HB LYS 27 2HB LYS 27 12.628 -10.185 16.792 1076 1HG LYS 27 1HG LYS 27 14.732 -9.302 16.894 1077 2HG LYS 27 2HG LYS 27 14.016 -8.098 17.948 1078 1HD LYS 27 1HD LYS 27 14.482 -9.977 19.823 1079 2HD LYS 27 2HD LYS 27 15.693 -10.499 18.668 1080 1HE LYS 27 1HE LYS 27 15.468 -7.603 19.600 1081 2HE LYS 27 2HE LYS 27 16.463 -8.782 20.432 1082 1HZ LYS 27 1HZ LYS 27 16.858 -7.566 17.855 1083 2HZ LYS 27 2HZ LYS 27 17.959 -8.052 18.960 1084 3HZ LYS 27 3HZ LYS 27 17.272 -9.143 17.958 1085 H ILE 28 H ILE 28 9.616 -10.015 17.322 1086 HA ILE 28 HA ILE 28 9.482 -8.264 15.154 1087 HB ILE 28 HB ILE 28 7.420 -10.006 16.498 1088 1HG1 ILE 28 1HG1 ILE 28 9.013 -10.404 13.948 1089 2HG1 ILE 28 2HG1 ILE 28 9.403 -11.130 15.495 1090 1HG2 ILE 28 1HG2 ILE 28 7.210 -8.243 14.072 1091 2HG2 ILE 28 2HG2 ILE 28 6.282 -9.758 14.179 1092 3HG2 ILE 28 3HG2 ILE 28 6.054 -8.487 15.404 1093 1HD1 ILE 28 1HD1 ILE 28 7.430 -11.971 13.527 1094 2HD1 ILE 28 2HD1 ILE 28 8.003 -12.831 14.976 1095 3HD1 ILE 28 3HD1 ILE 28 6.648 -11.684 15.100 1096 H GLU 29 H GLU 29 7.912 -8.212 18.408 1097 HA GLU 29 HA GLU 29 6.431 -5.907 17.853 1098 1HB GLU 29 1HB GLU 29 6.597 -7.782 19.929 1099 2HB GLU 29 2HB GLU 29 7.131 -6.296 20.689 1100 1HG GLU 29 1HG GLU 29 4.821 -5.756 18.991 1101 2HG GLU 29 2HG GLU 29 4.452 -7.073 20.087 1102 H GLU 30 H GLU 30 9.627 -6.498 19.432 1103 HA GLU 30 HA GLU 30 10.072 -3.930 20.281 1104 1HB GLU 30 1HB GLU 30 11.839 -6.256 19.535 1105 2HB GLU 30 2HB GLU 30 12.595 -4.703 19.834 1106 1HG GLU 30 1HG GLU 30 10.814 -4.905 21.969 1107 2HG GLU 30 2HG GLU 30 11.308 -6.572 21.744 1108 H LEU 31 H LEU 31 10.549 -5.456 17.068 1109 HA LEU 31 HA LEU 31 12.016 -3.339 15.946 1110 1HB LEU 31 1HB LEU 31 11.039 -5.882 15.186 1111 2HB LEU 31 2HB LEU 31 10.430 -4.739 14.006 1112 HG LEU 31 HG LEU 31 13.307 -4.473 14.684 1113 1HD1 LEU 31 1HD1 LEU 31 13.999 -6.347 13.291 1114 2HD1 LEU 31 2HD1 LEU 31 13.051 -6.914 14.687 1115 3HD1 LEU 31 3HD1 LEU 31 12.301 -6.836 13.074 1116 1HD2 LEU 31 1HD2 LEU 31 12.622 -3.025 13.009 1117 2HD2 LEU 31 2HD2 LEU 31 13.333 -4.374 12.092 1118 3HD2 LEU 31 3HD2 LEU 31 11.565 -4.236 12.245 1119 H ILE 32 H ILE 32 8.485 -4.150 15.953 1120 HA ILE 32 HA ILE 32 7.724 -1.946 14.414 1121 HB ILE 32 HB ILE 32 6.208 -3.579 16.452 1122 1HG1 ILE 32 1HG1 ILE 32 7.177 -4.842 14.539 1123 2HG1 ILE 32 2HG1 ILE 32 5.426 -4.883 14.605 1124 1HG2 ILE 32 1HG2 ILE 32 4.534 -2.442 14.425 1125 2HG2 ILE 32 2HG2 ILE 32 4.455 -2.249 16.193 1126 3HG2 ILE 32 3HG2 ILE 32 5.454 -1.142 15.220 1127 1HD1 ILE 32 1HD1 ILE 32 7.152 -3.865 12.494 1128 2HD1 ILE 32 2HD1 ILE 32 5.391 -4.125 12.472 1129 3HD1 ILE 32 3HD1 ILE 32 6.055 -2.582 13.061 1130 H LYS 33 H LYS 33 7.890 -2.437 18.001 1131 HA LYS 33 HA LYS 33 6.978 0.118 18.649 1132 1HB LYS 33 1HB LYS 33 6.972 -0.894 20.626 1133 2HB LYS 33 2HB LYS 33 7.933 -2.217 19.995 1134 1HG LYS 33 1HG LYS 33 10.016 -1.048 20.494 1135 2HG LYS 33 2HG LYS 33 9.162 0.434 20.875 1136 1HD LYS 33 1HD LYS 33 8.532 -0.297 22.974 1137 2HD LYS 33 2HD LYS 33 8.299 -1.953 22.449 1138 1HE LYS 33 1HE LYS 33 10.412 -2.556 23.062 1139 2HE LYS 33 2HE LYS 33 11.127 -1.168 22.267 1140 1HZ LYS 33 1HZ LYS 33 11.520 -0.819 24.491 1141 2HZ LYS 33 2HZ LYS 33 10.204 0.114 24.236 1142 3HZ LYS 33 3HZ LYS 33 10.047 -1.335 24.974 1143 H GLY 34 H GLY 34 10.158 -1.136 17.655 1144 1HA GLY 34 1HA GLY 34 11.610 1.207 18.441 1145 2HA GLY 34 2HA GLY 34 12.169 -0.118 17.438 1146 H TYR 35 H TYR 35 10.346 -0.144 15.311 1147 HA TYR 35 HA TYR 35 11.333 1.587 13.524 1148 1HB TYR 35 1HB TYR 35 9.179 -0.246 13.826 1149 2HB TYR 35 2HB TYR 35 8.370 1.237 13.361 1150 HD1 TYR 35 HD1 TYR 35 9.554 2.496 11.283 1151 HD2 TYR 35 HD2 TYR 35 9.828 -1.688 12.130 1152 HE1 TYR 35 HE1 TYR 35 10.118 2.032 8.847 1153 HE2 TYR 35 HE2 TYR 35 10.391 -2.138 9.692 1154 HH TYR 35 HH TYR 35 11.528 -0.611 7.797 1155 H ALA 36 H ALA 36 8.634 2.244 15.823 1156 HA ALA 36 HA ALA 36 7.993 4.758 14.709 1157 1HB ALA 36 1HB ALA 36 6.398 4.814 16.365 1158 2HB ALA 36 2HB ALA 36 6.764 3.073 16.404 1159 3HB ALA 36 3HB ALA 36 7.502 4.164 17.601 1160 H ASN 37 H ASN 37 10.095 3.666 17.442 1161 HA ASN 37 HA ASN 37 10.735 6.144 18.391 1162 1HB ASN 37 1HB ASN 37 11.352 3.932 19.448 1163 2HB ASN 37 2HB ASN 37 12.556 3.685 18.198 1164 1HD2 ASN 37 1HD2 ASN 37 14.523 4.113 18.806 1165 2HD2 ASN 37 2HD2 ASN 37 15.046 5.336 19.915 1166 H LEU 38 H LEU 38 12.105 4.179 15.691 1167 HA LEU 38 HA LEU 38 14.319 5.833 15.188 1168 1HB LEU 38 1HB LEU 38 12.933 3.571 13.906 1169 2HB LEU 38 2HB LEU 38 13.784 4.632 12.802 1170 HG LEU 38 HG LEU 38 15.081 2.641 13.616 1171 1HD1 LEU 38 1HD1 LEU 38 16.648 4.987 14.536 1172 2HD1 LEU 38 2HD1 LEU 38 17.037 3.739 13.329 1173 3HD1 LEU 38 3HD1 LEU 38 15.950 5.082 12.902 1174 1HD2 LEU 38 1HD2 LEU 38 15.471 4.117 16.211 1175 2HD2 LEU 38 2HD2 LEU 38 14.156 2.934 16.011 1176 3HD2 LEU 38 3HD2 LEU 38 15.849 2.426 15.801 1177 H VAL 39 H VAL 39 10.886 5.925 14.231 1178 HA VAL 39 HA VAL 39 11.227 7.823 12.169 1179 HB VAL 39 HB VAL 39 8.893 6.917 13.851 1180 1HG1 VAL 39 1HG1 VAL 39 8.867 8.872 11.527 1181 2HG1 VAL 39 2HG1 VAL 39 7.427 8.128 12.263 1182 3HG1 VAL 39 3HG1 VAL 39 8.449 9.227 13.220 1183 1HG2 VAL 39 1HG2 VAL 39 10.065 5.451 12.046 1184 2HG2 VAL 39 2HG2 VAL 39 8.290 5.573 12.047 1185 3HG2 VAL 39 3HG2 VAL 39 9.246 6.522 10.885 1186 H ASN 40 H ASN 40 11.035 7.976 15.701 1187 HA ASN 40 HA ASN 40 10.330 10.688 15.808 1188 1HB ASN 40 1HB ASN 40 10.024 9.151 17.737 1189 2HB ASN 40 2HB ASN 40 11.752 8.876 17.829 1190 1HD2 ASN 40 1HD2 ASN 40 12.822 10.005 19.250 1191 2HD2 ASN 40 2HD2 ASN 40 12.385 11.541 19.922 1192 H LEU 41 H LEU 41 13.341 8.807 15.479 1193 HA LEU 41 HA LEU 41 15.028 11.062 16.082 1194 1HB LEU 41 1HB LEU 41 15.301 8.183 15.728 1195 2HB LEU 41 2HB LEU 41 16.573 9.074 14.916 1196 HG LEU 41 HG LEU 41 17.252 8.422 17.159 1197 1HD1 LEU 41 1HD1 LEU 41 18.509 10.246 17.014 1198 2HD1 LEU 41 2HD1 LEU 41 17.219 11.145 16.180 1199 3HD1 LEU 41 3HD1 LEU 41 17.269 11.105 17.959 1200 1HD2 LEU 41 1HD2 LEU 41 14.593 9.156 17.857 1201 2HD2 LEU 41 2HD2 LEU 41 15.846 8.402 18.871 1202 3HD2 LEU 41 3HD2 LEU 41 15.709 10.175 18.797 1203 H ILE 42 H ILE 42 14.734 8.899 13.172 1204 HA ILE 42 HA ILE 42 16.052 10.431 11.397 1205 HB ILE 42 HB ILE 42 13.534 8.826 10.949 1206 1HG1 ILE 42 1HG1 ILE 42 15.169 7.430 11.957 1207 2HG1 ILE 42 2HG1 ILE 42 15.173 7.062 10.244 1208 1HG2 ILE 42 1HG2 ILE 42 14.005 8.778 8.647 1209 2HG2 ILE 42 2HG2 ILE 42 14.176 10.485 9.120 1210 3HG2 ILE 42 3HG2 ILE 42 15.625 9.481 8.873 1211 1HD1 ILE 42 1HD1 ILE 42 17.482 7.237 10.940 1212 2HD1 ILE 42 2HD1 ILE 42 17.120 8.691 9.980 1213 3HD1 ILE 42 3HD1 ILE 42 17.178 8.789 11.756 1214 H GLU 43 H GLU 43 15.955 12.634 11.329 1215 HA GLU 43 HA GLU 43 13.762 14.135 11.913 1216 1HB GLU 43 1HB GLU 43 16.404 14.549 10.816 1217 2HB GLU 43 2HB GLU 43 15.270 15.528 9.908 1218 1HG GLU 43 1HG GLU 43 14.358 16.437 12.077 1219 2HG GLU 43 2HG GLU 43 15.556 15.501 12.950 1220 HA PRO 44 HA PRO 44 12.696 14.077 7.289 1221 1HB PRO 44 1HB PRO 44 14.001 12.367 5.604 1222 2HB PRO 44 2HB PRO 44 14.459 14.046 5.809 1223 1HG PRO 44 1HG PRO 44 15.787 11.621 6.856 1224 2HG PRO 44 2HG PRO 44 16.436 13.239 6.683 1225 1HD PRO 44 1HD PRO 44 15.552 11.995 9.112 1226 2HD PRO 44 2HD PRO 44 16.092 13.651 8.919 1227 H MET 45 H MET 45 11.064 13.102 8.802 1228 HA MET 45 HA MET 45 10.196 10.706 7.472 1229 1HB MET 45 1HB MET 45 11.692 10.301 9.692 1230 2HB MET 45 2HB MET 45 10.186 10.672 10.506 1231 1HG MET 45 1HG MET 45 10.245 8.270 10.208 1232 2HG MET 45 2HG MET 45 9.051 8.888 9.084 1233 1HE MET 45 1HE MET 45 10.980 5.860 7.327 1234 2HE MET 45 2HE MET 45 10.625 6.085 9.057 1235 3HE MET 45 3HE MET 45 9.377 6.441 7.839 1236 H LYS 46 H LYS 46 8.385 11.863 6.704 1237 HA LYS 46 HA LYS 46 6.896 13.711 7.981 1238 1HB LYS 46 1HB LYS 46 6.543 13.132 5.669 1239 2HB LYS 46 2HB LYS 46 6.011 11.516 6.089 1240 1HG LYS 46 1HG LYS 46 3.903 12.385 6.056 1241 2HG LYS 46 2HG LYS 46 4.298 13.064 7.623 1242 1HD LYS 46 1HD LYS 46 4.789 15.203 6.727 1243 2HD LYS 46 2HD LYS 46 5.081 14.575 5.117 1244 1HE LYS 46 1HE LYS 46 2.948 15.648 4.977 1245 2HE LYS 46 2HE LYS 46 2.583 13.935 5.043 1246 1HZ LYS 46 1HZ LYS 46 1.229 15.180 6.567 1247 2HZ LYS 46 2HZ LYS 46 2.200 14.169 7.404 1248 3HZ LYS 46 3HZ LYS 46 2.541 15.764 7.343 1249 H ALA 47 H ALA 47 5.891 10.217 7.901 1250 HA ALA 47 HA ALA 47 5.555 10.082 10.694 1251 1HB ALA 47 1HB ALA 47 2.973 10.327 9.105 1252 2HB ALA 47 2HB ALA 47 3.151 10.153 10.868 1253 3HB ALA 47 3HB ALA 47 3.672 11.653 10.064 1254 H PHE 48 H PHE 48 4.752 7.935 11.341 1255 HA PHE 48 HA PHE 48 5.205 6.030 9.180 1256 1HB PHE 48 1HB PHE 48 6.350 6.207 11.603 1257 2HB PHE 48 2HB PHE 48 4.864 5.466 12.165 1258 HD1 PHE 48 HD1 PHE 48 7.299 4.909 9.377 1259 HD2 PHE 48 HD2 PHE 48 4.973 3.197 12.487 1260 HE1 PHE 48 HE1 PHE 48 8.216 2.641 8.815 1261 HE2 PHE 48 HE2 PHE 48 5.890 0.929 11.925 1262 HZ PHE 48 HZ PHE 48 7.501 0.678 10.096 1263 H HIS 49 H HIS 49 3.431 5.215 8.175 1264 HA HIS 49 HA HIS 49 0.968 5.095 9.739 1265 1HB HIS 49 1HB HIS 49 1.594 5.872 7.046 1266 2HB HIS 49 2HB HIS 49 0.514 4.493 6.993 1267 HD1 HIS 49 HD1 HIS 49 -0.190 7.564 6.267 1268 HD2 HIS 49 HD2 HIS 49 -1.241 5.493 9.760 1269 HE1 HIS 49 HE1 HIS 49 -2.236 8.757 7.217 1270 HE2 HIS 49 HE2 HIS 49 -2.868 7.407 9.332 1271 H TRP 50 H TRP 50 -0.486 3.139 9.189 1272 HA TRP 50 HA TRP 50 1.242 0.767 9.183 1273 1HB TRP 50 1HB TRP 50 -1.223 1.532 10.630 1274 2HB TRP 50 2HB TRP 50 -1.153 -0.126 10.066 1275 HD1 TRP 50 HD1 TRP 50 1.078 2.272 12.202 1276 HE1 TRP 50 HE1 TRP 50 2.368 0.918 14.064 1277 HE3 TRP 50 HE3 TRP 50 -0.563 -2.315 10.745 1278 HZ2 TRP 50 HZ2 TRP 50 2.553 -1.857 14.704 1279 HZ3 TRP 50 HZ3 TRP 50 0.220 -4.294 12.042 1280 HH2 TRP 50 HH2 TRP 50 1.724 -4.120 13.961 1281 H GLY 51 H GLY 51 -0.048 -1.236 8.230 1282 1HA GLY 51 1HA GLY 51 -2.013 -0.746 6.243 1283 2HA GLY 51 2HA GLY 51 -0.421 -0.829 5.513 1284 H LYS 52 H LYS 52 -2.239 -2.587 8.138 1285 HA LYS 52 HA LYS 52 -1.208 -5.074 6.966 1286 1HB LYS 52 1HB LYS 52 -1.363 -6.058 9.152 1287 2HB LYS 52 2HB LYS 52 -0.446 -4.570 9.270 1288 1HG LYS 52 1HG LYS 52 -2.184 -3.416 10.370 1289 2HG LYS 52 2HG LYS 52 -3.433 -4.457 9.717 1290 1HD LYS 52 1HD LYS 52 -1.337 -5.510 11.659 1291 2HD LYS 52 2HD LYS 52 -2.812 -4.751 12.226 1292 1HE LYS 52 1HE LYS 52 -2.846 -7.070 10.246 1293 2HE LYS 52 2HE LYS 52 -2.846 -7.328 11.980 1294 1HZ LYS 52 1HZ LYS 52 -5.022 -6.881 10.475 1295 2HZ LYS 52 2HZ LYS 52 -4.960 -6.728 12.099 1296 3HZ LYS 52 3HZ LYS 52 -4.776 -5.414 11.148 1297 H ASP 53 H ASP 53 -2.639 -6.743 6.443 1298 HA ASP 53 HA ASP 53 -5.141 -5.971 5.634 1299 1HB ASP 53 1HB ASP 53 -5.509 -8.295 5.118 1300 2HB ASP 53 2HB ASP 53 -3.800 -7.994 4.874 1301 H VAL 54 H VAL 54 -7.276 -6.356 6.550 1302 HA VAL 54 HA VAL 54 -7.293 -6.429 9.421 1303 HB VAL 54 HB VAL 54 -9.802 -6.218 8.981 1304 1HG1 VAL 54 1HG1 VAL 54 -8.422 -3.937 7.643 1305 2HG1 VAL 54 2HG1 VAL 54 -9.588 -3.946 8.988 1306 3HG1 VAL 54 3HG1 VAL 54 -7.884 -4.370 9.283 1307 1HG2 VAL 54 1HG2 VAL 54 -10.652 -6.116 6.891 1308 2HG2 VAL 54 2HG2 VAL 54 -9.240 -5.245 6.246 1309 3HG2 VAL 54 3HG2 VAL 54 -9.180 -7.012 6.446 1310 H SER 55 H SER 55 -8.839 -7.907 10.612 1311 HA SER 55 HA SER 55 -8.154 -10.530 10.044 1312 1HB SER 55 1HB SER 55 -9.765 -11.099 11.864 1313 2HB SER 55 2HB SER 55 -8.682 -9.796 12.312 1314 HG SER 55 HG SER 55 -11.399 -9.481 11.351 1315 H ILE 56 H ILE 56 -8.813 -10.715 7.736 1316 HA ILE 56 HA ILE 56 -11.701 -10.847 7.336 1317 HB ILE 56 HB ILE 56 -9.324 -10.631 5.517 1318 1HG1 ILE 56 1HG1 ILE 56 -10.487 -8.622 6.580 1319 2HG1 ILE 56 2HG1 ILE 56 -10.259 -8.595 4.843 1320 1HG2 ILE 56 1HG2 ILE 56 -12.079 -11.638 4.838 1321 2HG2 ILE 56 2HG2 ILE 56 -11.095 -10.756 3.645 1322 3HG2 ILE 56 3HG2 ILE 56 -10.490 -12.274 4.351 1323 1HD1 ILE 56 1HD1 ILE 56 -12.627 -8.007 5.923 1324 2HD1 ILE 56 2HD1 ILE 56 -12.526 -8.901 4.387 1325 3HD1 ILE 56 3HD1 ILE 56 -12.820 -9.777 5.909 1326 H GLU 57 H GLU 57 -9.113 -12.811 8.290 1327 HA GLU 57 HA GLU 57 -9.065 -14.958 8.706 1328 1HB GLU 57 1HB GLU 57 -11.741 -14.665 8.512 1329 2HB GLU 57 2HB GLU 57 -11.503 -15.673 7.099 1330 1HG GLU 57 1HG GLU 57 -10.456 -17.429 8.422 1331 2HG GLU 57 2HG GLU 57 -10.360 -16.394 9.833 1332 H ASN 58 H ASN 58 -7.172 -14.729 7.242 1333 HA ASN 58 HA ASN 58 -5.909 -15.449 5.634 1334 1HB ASN 58 1HB ASN 58 -6.825 -17.703 6.029 1335 2HB ASN 58 2HB ASN 58 -8.246 -17.344 5.068 1336 1HD2 ASN 58 1HD2 ASN 58 -4.915 -18.224 5.083 1337 2HD2 ASN 58 2HD2 ASN 58 -4.705 -18.512 3.388 1338 H LEU 59 H LEU 59 -5.452 -14.598 3.551 1339 HA LEU 59 HA LEU 59 -7.311 -14.402 1.491 1340 1HB LEU 59 1HB LEU 59 -7.782 -12.021 1.462 1341 2HB LEU 59 2HB LEU 59 -8.484 -12.814 2.858 1342 HG LEU 59 HG LEU 59 -5.848 -11.357 3.043 1343 1HD1 LEU 59 1HD1 LEU 59 -8.059 -10.054 2.183 1344 2HD1 LEU 59 2HD1 LEU 59 -8.269 -9.920 3.945 1345 3HD1 LEU 59 3HD1 LEU 59 -6.782 -9.313 3.178 1346 1HD2 LEU 59 1HD2 LEU 59 -7.735 -12.636 4.925 1347 2HD2 LEU 59 2HD2 LEU 59 -5.975 -12.393 5.037 1348 3HD2 LEU 59 3HD2 LEU 59 -7.085 -11.059 5.435 1349 H HIS 60 H HIS 60 -4.483 -12.915 3.159 1350 HA HIS 60 HA HIS 60 -3.276 -12.150 0.704 1351 1HB HIS 60 1HB HIS 60 -1.402 -11.484 2.066 1352 2HB HIS 60 2HB HIS 60 -2.895 -10.951 2.813 1353 HD1 HIS 60 HD1 HIS 60 -0.042 -13.373 3.277 1354 HD2 HIS 60 HD2 HIS 60 -3.493 -12.127 5.310 1355 HE1 HIS 60 HE1 HIS 60 0.139 -14.319 5.640 1356 HE2 HIS 60 HE2 HIS 60 -1.983 -13.475 6.857 1357 H GLN 61 H GLN 61 -0.874 -12.960 0.309 1358 HA GLN 61 HA GLN 61 -1.077 -15.863 0.320 1359 1HB GLN 61 1HB GLN 61 0.448 -13.949 -1.495 1360 2HB GLN 61 2HB GLN 61 0.648 -15.689 -1.557 1361 1HG GLN 61 1HG GLN 61 -1.909 -14.113 -2.087 1362 2HG GLN 61 2HG GLN 61 -0.990 -15.055 -3.245 1363 1HE2 GLN 61 1HE2 GLN 61 -3.786 -15.101 -1.913 1364 2HE2 GLN 61 2HE2 GLN 61 -4.048 -16.769 -1.526 1365 H GLY 62 H GLY 62 0.727 -13.101 1.507 1366 1HA GLY 62 1HA GLY 62 2.115 -14.355 3.463 1367 2HA GLY 62 2HA GLY 62 3.154 -14.559 2.066 1368 H TYR 63 H TYR 63 0.949 -11.798 2.861 1369 HA TYR 63 HA TYR 63 3.167 -9.986 2.434 1370 1HB TYR 63 1HB TYR 63 0.139 -9.936 2.835 1371 2HB TYR 63 2HB TYR 63 1.023 -8.438 3.049 1372 HD1 TYR 63 HD1 TYR 63 2.133 -7.343 1.139 1373 HD2 TYR 63 HD2 TYR 63 -0.141 -10.931 0.630 1374 HE1 TYR 63 HE1 TYR 63 2.060 -6.950 -1.372 1375 HE2 TYR 63 HE2 TYR 63 -0.206 -10.526 -1.879 1376 HH TYR 63 HH TYR 63 0.648 -9.356 -3.533 1377 H THR 64 H THR 64 0.929 -11.025 5.067 1378 HA THR 64 HA THR 64 1.065 -10.816 7.277 1379 HB THR 64 HB THR 64 3.946 -9.881 7.042 1380 HG1 THR 64 HG1 THR 64 2.693 -12.482 6.510 1381 1HG2 THR 64 1HG2 THR 64 3.453 -12.258 8.631 1382 2HG2 THR 64 2HG2 THR 64 4.032 -10.668 9.184 1383 3HG2 THR 64 3HG2 THR 64 2.285 -11.002 9.107 1384 H HIS 65 H HIS 65 3.189 -8.130 6.067 1385 HA HIS 65 HA HIS 65 1.188 -6.227 6.765 1386 1HB HIS 65 1HB HIS 65 3.744 -6.171 8.385 1387 2HB HIS 65 2HB HIS 65 2.384 -5.072 8.508 1388 HD1 HIS 65 HD1 HIS 65 3.107 -8.803 9.013 1389 HD2 HIS 65 HD2 HIS 65 0.545 -5.788 10.406 1390 HE1 HIS 65 HE1 HIS 65 1.748 -9.839 10.908 1391 HE2 HIS 65 HE2 HIS 65 0.231 -7.924 11.760 1392 H ILE 66 H ILE 66 2.105 -3.914 6.376 1393 HA ILE 66 HA ILE 66 4.342 -4.006 4.502 1394 HB ILE 66 HB ILE 66 3.158 -2.752 2.845 1395 1HG1 ILE 66 1HG1 ILE 66 0.439 -2.924 3.672 1396 2HG1 ILE 66 2HG1 ILE 66 1.333 -2.190 4.989 1397 1HG2 ILE 66 1HG2 ILE 66 2.790 -5.408 3.355 1398 2HG2 ILE 66 2HG2 ILE 66 1.111 -4.829 3.242 1399 3HG2 ILE 66 3HG2 ILE 66 2.238 -4.559 1.891 1400 1HD1 ILE 66 1HD1 ILE 66 0.993 -0.279 3.749 1401 2HD1 ILE 66 2HD1 ILE 66 2.459 -0.840 2.911 1402 3HD1 ILE 66 3HD1 ILE 66 0.854 -1.174 2.217 1403 H PHE 67 H PHE 67 5.652 -2.179 4.559 1404 HA PHE 67 HA PHE 67 4.967 -0.316 6.702 1405 1HB PHE 67 1HB PHE 67 7.552 -0.919 5.142 1406 2HB PHE 67 2HB PHE 67 7.459 0.172 6.510 1407 HD1 PHE 67 HD1 PHE 67 9.179 -2.376 6.123 1408 HD2 PHE 67 HD2 PHE 67 5.505 -1.640 8.113 1409 HE1 PHE 67 HE1 PHE 67 9.640 -4.290 7.680 1410 HE2 PHE 67 HE2 PHE 67 5.965 -3.554 9.671 1411 HZ PHE 67 HZ PHE 67 8.027 -4.856 9.436 1412 H GLU 68 H GLU 68 4.053 1.584 6.094 1413 HA GLU 68 HA GLU 68 4.634 2.515 3.411 1414 1HB GLU 68 1HB GLU 68 2.240 2.268 4.609 1415 2HB GLU 68 2HB GLU 68 2.627 3.873 5.197 1416 1HG GLU 68 1HG GLU 68 3.189 4.460 2.721 1417 2HG GLU 68 2HG GLU 68 2.387 2.958 2.303 1418 H SER 69 H SER 69 5.619 4.522 2.988 1419 HA SER 69 HA SER 69 6.479 5.958 5.376 1420 1HB SER 69 1HB SER 69 8.174 4.527 3.760 1421 2HB SER 69 2HB SER 69 8.235 6.088 2.966 1422 HG SER 69 HG SER 69 8.410 6.368 5.717 1423 H THR 70 H THR 70 6.083 8.169 5.340 1424 HA THR 70 HA THR 70 4.930 9.215 2.852 1425 HB THR 70 HB THR 70 4.157 11.020 4.616 1426 HG1 THR 70 HG1 THR 70 4.149 9.847 6.774 1427 1HG2 THR 70 1HG2 THR 70 2.183 9.872 4.569 1428 2HG2 THR 70 2HG2 THR 70 3.047 8.484 3.866 1429 3HG2 THR 70 3HG2 THR 70 2.866 8.618 5.631 1430 H PHE 71 H PHE 71 5.906 10.746 1.662 1431 HA PHE 71 HA PHE 71 8.330 11.908 2.843 1432 1HB PHE 71 1HB PHE 71 7.537 11.530 -0.103 1433 2HB PHE 71 2HB PHE 71 9.129 11.962 0.488 1434 HD1 PHE 71 HD1 PHE 71 9.350 9.978 2.741 1435 HD2 PHE 71 HD2 PHE 71 7.986 9.537 -1.253 1436 HE1 PHE 71 HE1 PHE 71 9.990 7.552 2.791 1437 HE2 PHE 71 HE2 PHE 71 8.626 7.110 -1.203 1438 HZ PHE 71 HZ PHE 71 9.621 6.147 0.818 1439 H GLU 72 H GLU 72 8.932 14.065 1.576 1440 HA GLU 72 HA GLU 72 6.854 15.557 0.499 1441 1HB GLU 72 1HB GLU 72 6.592 17.225 2.397 1442 2HB GLU 72 2HB GLU 72 5.847 15.664 2.680 1443 1HG GLU 72 1HG GLU 72 8.048 14.992 3.873 1444 2HG GLU 72 2HG GLU 72 8.485 16.688 3.811 1445 H SER 73 H SER 73 9.144 15.293 -0.667 1446 HA SER 73 HA SER 73 10.198 17.705 -1.030 1447 1HB SER 73 1HB SER 73 11.180 16.625 1.499 1448 2HB SER 73 2HB SER 73 12.513 16.868 0.387 1449 HG SER 73 HG SER 73 12.384 18.952 0.819 1450 H LYS 74 H LYS 74 10.587 14.215 -0.782 1451 HA LYS 74 HA LYS 74 11.446 12.724 -2.167 1452 1HB LYS 74 1HB LYS 74 10.446 13.869 -4.009 1453 2HB LYS 74 2HB LYS 74 11.681 15.111 -4.010 1454 1HG LYS 74 1HG LYS 74 12.943 13.870 -5.422 1455 2HG LYS 74 2HG LYS 74 13.045 12.596 -4.223 1456 1HD LYS 74 1HD LYS 74 10.624 11.947 -5.070 1457 2HD LYS 74 2HD LYS 74 11.037 12.910 -6.475 1458 1HE LYS 74 1HE LYS 74 12.820 11.472 -7.105 1459 2HE LYS 74 2HE LYS 74 12.982 10.800 -5.495 1460 1HZ LYS 74 1HZ LYS 74 11.877 9.305 -7.031 1461 2HZ LYS 74 2HZ LYS 74 10.897 9.688 -5.782 1462 3HZ LYS 74 3HZ LYS 74 10.660 10.372 -7.245 1463 H GLU 75 H GLU 75 13.481 15.720 -2.527 1464 HA GLU 75 HA GLU 75 15.852 14.278 -2.609 1465 1HB GLU 75 1HB GLU 75 15.263 17.183 -1.908 1466 2HB GLU 75 2HB GLU 75 16.891 16.557 -2.075 1467 1HG GLU 75 1HG GLU 75 16.330 15.800 -4.415 1468 2HG GLU 75 2HG GLU 75 14.736 16.507 -4.241 1469 H ALA 76 H ALA 76 13.818 15.425 0.053 1470 HA ALA 76 HA ALA 76 15.824 15.264 2.053 1471 1HB ALA 76 1HB ALA 76 13.705 15.236 3.538 1472 2HB ALA 76 2HB ALA 76 13.971 16.663 2.507 1473 3HB ALA 76 3HB ALA 76 12.798 15.417 2.017 1474 H VAL 77 H VAL 77 13.309 13.043 0.735 1475 HA VAL 77 HA VAL 77 13.461 11.037 2.584 1476 HB VAL 77 HB VAL 77 13.111 10.934 -0.415 1477 1HG1 VAL 77 1HG1 VAL 77 13.086 8.779 1.639 1478 2HG1 VAL 77 2HG1 VAL 77 11.781 8.753 0.429 1479 3HG1 VAL 77 3HG1 VAL 77 13.482 8.711 -0.095 1480 1HG2 VAL 77 1HG2 VAL 77 10.725 10.855 0.090 1481 2HG2 VAL 77 2HG2 VAL 77 11.071 10.902 1.835 1482 3HG2 VAL 77 3HG2 VAL 77 11.461 12.305 0.812 1483 H ALA 78 H ALA 78 15.836 12.062 0.170 1484 HA ALA 78 HA ALA 78 17.330 9.677 0.119 1485 1HB ALA 78 1HB ALA 78 19.082 11.151 -0.852 1486 2HB ALA 78 2HB ALA 78 17.490 11.416 -1.605 1487 3HB ALA 78 3HB ALA 78 18.111 12.574 -0.405 1488 H GLU 79 H GLU 79 17.501 12.693 2.108 1489 HA GLU 79 HA GLU 79 19.814 12.117 3.432 1490 1HB GLU 79 1HB GLU 79 18.080 14.171 3.491 1491 2HB GLU 79 2HB GLU 79 17.547 13.377 4.959 1492 1HG GLU 79 1HG GLU 79 19.766 13.511 5.944 1493 2HG GLU 79 2HG GLU 79 20.481 14.007 4.424 1494 H TYR 80 H TYR 80 16.446 11.022 4.093 1495 HA TYR 80 HA TYR 80 16.936 9.833 6.566 1496 1HB TYR 80 1HB TYR 80 14.661 10.121 5.840 1497 2HB TYR 80 2HB TYR 80 15.022 9.585 4.211 1498 HD1 TYR 80 HD1 TYR 80 13.548 7.824 3.781 1499 HD2 TYR 80 HD2 TYR 80 15.689 7.887 7.485 1500 HE1 TYR 80 HE1 TYR 80 12.650 5.514 4.348 1501 HE2 TYR 80 HE2 TYR 80 14.784 5.577 8.038 1502 HH TYR 80 HH TYR 80 12.900 3.765 5.678 1503 H ILE 81 H ILE 81 17.118 8.509 3.200 1504 HA ILE 81 HA ILE 81 17.739 5.893 4.056 1505 HB ILE 81 HB ILE 81 18.114 7.317 1.421 1506 1HG1 ILE 81 1HG1 ILE 81 16.019 5.255 2.089 1507 2HG1 ILE 81 2HG1 ILE 81 15.768 6.947 2.471 1508 1HG2 ILE 81 1HG2 ILE 81 18.370 4.367 2.068 1509 2HG2 ILE 81 2HG2 ILE 81 18.342 5.072 0.434 1510 3HG2 ILE 81 3HG2 ILE 81 19.674 5.461 1.549 1511 1HD1 ILE 81 1HD1 ILE 81 15.707 7.601 0.227 1512 2HD1 ILE 81 2HD1 ILE 81 16.720 6.238 -0.304 1513 3HD1 ILE 81 3HD1 ILE 81 15.012 5.965 0.116 1514 H ALA 82 H ALA 82 19.529 8.862 3.938 1515 HA ALA 82 HA ALA 82 22.067 7.410 3.907 1516 1HB ALA 82 1HB ALA 82 22.027 9.256 2.390 1517 2HB ALA 82 2HB ALA 82 21.287 10.330 3.602 1518 3HB ALA 82 3HB ALA 82 22.975 9.798 3.795 1519 H HIS 83 H HIS 83 20.253 7.046 6.140 1520 HA HIS 83 HA HIS 83 21.700 8.547 8.199 1521 1HB HIS 83 1HB HIS 83 19.015 8.549 7.773 1522 2HB HIS 83 2HB HIS 83 19.147 7.208 8.893 1523 HD1 HIS 83 HD1 HIS 83 19.362 7.776 11.343 1524 HD2 HIS 83 HD2 HIS 83 20.143 11.060 8.853 1525 HE1 HIS 83 HE1 HIS 83 19.601 9.798 12.881 1526 HE2 HIS 83 HE2 HIS 83 20.134 11.775 11.298 1527 HA PRO 84 HA PRO 84 23.297 4.696 9.391 1528 1HB PRO 84 1HB PRO 84 24.427 5.404 11.777 1529 2HB PRO 84 2HB PRO 84 25.204 5.676 10.230 1530 1HG PRO 84 1HG PRO 84 23.875 7.631 12.005 1531 2HG PRO 84 2HG PRO 84 25.006 7.926 10.699 1532 1HD PRO 84 1HD PRO 84 22.163 8.302 10.626 1533 2HD PRO 84 2HD PRO 84 23.279 8.485 9.287 1534 H ALA 85 H ALA 85 21.216 6.469 11.537 1535 HA ALA 85 HA ALA 85 20.774 4.437 13.380 1536 1HB ALA 85 1HB ALA 85 20.045 7.016 13.161 1537 2HB ALA 85 2HB ALA 85 18.532 6.261 12.605 1538 3HB ALA 85 3HB ALA 85 19.183 5.870 14.215 1539 H HIS 86 H HIS 86 19.270 5.160 10.186 1540 HA HIS 86 HA HIS 86 17.348 3.090 10.459 1541 1HB HIS 86 1HB HIS 86 16.541 4.627 9.010 1542 2HB HIS 86 2HB HIS 86 18.130 5.103 8.443 1543 HD1 HIS 86 HD1 HIS 86 15.210 3.022 7.561 1544 HD2 HIS 86 HD2 HIS 86 19.229 3.322 6.397 1545 HE1 HIS 86 HE1 HIS 86 15.410 1.763 5.350 1546 HE2 HIS 86 HE2 HIS 86 17.889 2.029 4.658 1547 H VAL 87 H VAL 87 20.546 3.466 8.831 1548 HA VAL 87 HA VAL 87 20.548 1.026 7.510 1549 HB VAL 87 HB VAL 87 22.588 2.975 8.479 1550 1HG1 VAL 87 1HG1 VAL 87 23.797 1.007 8.983 1551 2HG1 VAL 87 2HG1 VAL 87 23.193 0.163 7.537 1552 3HG1 VAL 87 3HG1 VAL 87 24.357 1.499 7.367 1553 1HG2 VAL 87 1HG2 VAL 87 21.185 2.404 6.053 1554 2HG2 VAL 87 2HG2 VAL 87 22.340 3.715 6.392 1555 3HG2 VAL 87 3HG2 VAL 87 22.924 2.155 5.766 1556 H GLU 88 H GLU 88 21.433 1.923 10.881 1557 HA GLU 88 HA GLU 88 22.564 -0.503 11.553 1558 1HB GLU 88 1HB GLU 88 22.412 1.817 12.821 1559 2HB GLU 88 2HB GLU 88 20.977 1.124 13.550 1560 1HG GLU 88 1HG GLU 88 22.780 0.570 15.032 1561 2HG GLU 88 2HG GLU 88 22.399 -0.915 14.182 1562 H PHE 89 H PHE 89 19.149 0.656 11.655 1563 HA PHE 89 HA PHE 89 18.207 -1.744 12.864 1564 1HB PHE 89 1HB PHE 89 17.330 0.912 12.197 1565 2HB PHE 89 2HB PHE 89 16.274 -0.156 11.295 1566 HD1 PHE 89 HD1 PHE 89 17.762 -0.278 14.726 1567 HD2 PHE 89 HD2 PHE 89 14.250 -0.418 12.348 1568 HE1 PHE 89 HE1 PHE 89 16.381 -0.654 16.788 1569 HE2 PHE 89 HE2 PHE 89 12.869 -0.795 14.410 1570 HZ PHE 89 HZ PHE 89 13.951 -0.908 16.605 1571 H ALA 90 H ALA 90 18.315 -0.377 9.522 1572 HA ALA 90 HA ALA 90 16.796 -2.415 8.340 1573 1HB ALA 90 1HB ALA 90 18.510 -1.481 6.373 1574 2HB ALA 90 2HB ALA 90 16.958 -0.738 6.830 1575 3HB ALA 90 3HB ALA 90 18.476 -0.132 7.535 1576 H THR 91 H THR 91 20.293 -2.045 9.084 1577 HA THR 91 HA THR 91 21.115 -4.328 7.634 1578 HB THR 91 HB THR 91 22.322 -2.758 9.971 1579 HG1 THR 91 HG1 THR 91 21.835 -1.789 7.761 1580 1HG2 THR 91 1HG2 THR 91 23.841 -4.431 7.932 1581 2HG2 THR 91 2HG2 THR 91 24.417 -3.789 9.489 1582 3HG2 THR 91 3HG2 THR 91 23.285 -5.162 9.457 1583 H ILE 92 H ILE 92 20.110 -3.809 11.055 1584 HA ILE 92 HA ILE 92 20.683 -6.472 11.807 1585 HB ILE 92 HB ILE 92 19.115 -4.207 13.000 1586 1HG1 ILE 92 1HG1 ILE 92 21.492 -5.626 14.184 1587 2HG1 ILE 92 2HG1 ILE 92 21.715 -4.422 12.931 1588 1HG2 ILE 92 1HG2 ILE 92 17.850 -5.692 14.093 1589 2HG2 ILE 92 2HG2 ILE 92 18.899 -7.061 13.652 1590 3HG2 ILE 92 3HG2 ILE 92 19.320 -6.028 15.040 1591 1HD1 ILE 92 1HD1 ILE 92 21.839 -3.129 14.893 1592 2HD1 ILE 92 2HD1 ILE 92 20.136 -2.923 14.419 1593 3HD1 ILE 92 3HD1 ILE 92 20.568 -4.070 15.710 1594 H PHE 93 H PHE 93 17.846 -4.780 10.432 1595 HA PHE 93 HA PHE 93 16.086 -6.967 10.851 1596 1HB PHE 93 1HB PHE 93 15.448 -4.532 10.551 1597 2HB PHE 93 2HB PHE 93 16.103 -4.564 8.926 1598 HD1 PHE 93 HD1 PHE 93 13.590 -6.387 11.005 1599 HD2 PHE 93 HD2 PHE 93 14.636 -4.887 7.176 1600 HE1 PHE 93 HE1 PHE 93 11.351 -7.092 10.117 1601 HE2 PHE 93 HE2 PHE 93 12.397 -5.592 6.288 1602 HZ PHE 93 HZ PHE 93 10.781 -6.686 7.769 1603 H LEU 94 H LEU 94 18.064 -5.750 8.081 1604 HA LEU 94 HA LEU 94 17.074 -7.489 6.164 1605 1HB LEU 94 1HB LEU 94 19.544 -5.877 6.546 1606 2HB LEU 94 2HB LEU 94 19.583 -7.129 5.319 1607 HG LEU 94 HG LEU 94 17.208 -5.362 5.231 1608 1HD1 LEU 94 1HD1 LEU 94 18.230 -3.397 5.228 1609 2HD1 LEU 94 2HD1 LEU 94 19.800 -4.187 5.516 1610 3HD1 LEU 94 3HD1 LEU 94 19.228 -3.925 3.851 1611 1HD2 LEU 94 1HD2 LEU 94 18.599 -5.474 2.771 1612 2HD2 LEU 94 2HD2 LEU 94 18.691 -7.098 3.494 1613 3HD2 LEU 94 3HD2 LEU 94 17.108 -6.326 3.238 1614 H GLY 95 H GLY 95 19.239 -8.012 8.903 1615 1HA GLY 95 1HA GLY 95 20.527 -10.347 8.017 1616 2HA GLY 95 2HA GLY 95 20.275 -9.849 9.678 1617 H SER 96 H SER 96 17.253 -9.707 9.266 1618 HA SER 96 HA SER 96 16.733 -12.547 8.942 1619 1HB SER 96 1HB SER 96 16.522 -10.974 11.411 1620 2HB SER 96 2HB SER 96 14.985 -11.702 10.987 1621 HG SER 96 HG SER 96 16.612 -12.994 12.332 1622 H LEU 97 H LEU 97 16.096 -11.380 6.789 1623 HA LEU 97 HA LEU 97 13.356 -10.359 7.086 1624 1HB LEU 97 1HB LEU 97 13.693 -8.801 5.457 1625 2HB LEU 97 2HB LEU 97 15.239 -8.788 6.282 1626 HG LEU 97 HG LEU 97 16.098 -10.361 4.485 1627 1HD1 LEU 97 1HD1 LEU 97 14.572 -11.306 3.167 1628 2HD1 LEU 97 2HD1 LEU 97 13.319 -10.132 3.635 1629 3HD1 LEU 97 3HD1 LEU 97 14.467 -9.736 2.334 1630 1HD2 LEU 97 1HD2 LEU 97 15.695 -7.524 4.459 1631 2HD2 LEU 97 2HD2 LEU 97 17.038 -8.479 3.787 1632 3HD2 LEU 97 3HD2 LEU 97 15.600 -8.145 2.794 1633 H ASP 98 H ASP 98 11.745 -11.325 5.873 1634 HA ASP 98 HA ASP 98 12.521 -13.820 4.696 1635 1HB ASP 98 1HB ASP 98 10.468 -13.395 6.220 1636 2HB ASP 98 2HB ASP 98 9.730 -12.603 4.842 1637 H LYS 99 H LYS 99 10.419 -10.973 3.784 1638 HA LYS 99 HA LYS 99 11.386 -11.276 1.035 1639 1HB LYS 99 1HB LYS 99 8.524 -11.113 1.982 1640 2HB LYS 99 2HB LYS 99 8.983 -10.604 0.369 1641 1HG LYS 99 1HG LYS 99 9.513 -12.763 -0.324 1642 2HG LYS 99 2HG LYS 99 10.022 -13.274 1.273 1643 1HD LYS 99 1HD LYS 99 8.007 -14.287 1.515 1644 2HD LYS 99 2HD LYS 99 7.275 -12.696 1.583 1645 1HE LYS 99 1HE LYS 99 6.156 -13.247 -0.318 1646 2HE LYS 99 2HE LYS 99 7.680 -13.085 -1.166 1647 1HZ LYS 99 1HZ LYS 99 6.812 -15.572 0.132 1648 2HZ LYS 99 2HZ LYS 99 6.584 -15.247 -1.452 1649 3HZ LYS 99 3HZ LYS 99 8.099 -15.380 -0.855 1650 H VAL 100 H VAL 100 11.146 -9.242 -0.251 1651 HA VAL 100 HA VAL 100 10.707 -6.846 1.293 1652 HB VAL 100 HB VAL 100 12.989 -5.982 0.517 1653 1HG1 VAL 100 1HG1 VAL 100 13.828 -6.343 2.619 1654 2HG1 VAL 100 2HG1 VAL 100 12.136 -6.824 2.895 1655 3HG1 VAL 100 3HG1 VAL 100 13.382 -8.066 2.626 1656 1HG2 VAL 100 1HG2 VAL 100 14.288 -7.364 -0.655 1657 2HG2 VAL 100 2HG2 VAL 100 14.431 -8.395 0.789 1658 3HG2 VAL 100 3HG2 VAL 100 13.152 -8.712 -0.408 1659 H LEU 101 H LEU 101 9.360 -5.727 -0.011 1660 HA LEU 101 HA LEU 101 10.060 -5.638 -2.855 1661 1HB LEU 101 1HB LEU 101 7.513 -6.499 -1.588 1662 2HB LEU 101 2HB LEU 101 7.396 -5.491 -3.016 1663 HG LEU 101 HG LEU 101 7.254 -7.856 -3.581 1664 1HD1 LEU 101 1HD1 LEU 101 8.572 -7.782 -5.474 1665 2HD1 LEU 101 2HD1 LEU 101 8.483 -6.062 -5.025 1666 3HD1 LEU 101 3HD1 LEU 101 9.936 -7.011 -4.630 1667 1HD2 LEU 101 1HD2 LEU 101 8.614 -9.477 -2.836 1668 2HD2 LEU 101 2HD2 LEU 101 10.079 -8.485 -3.029 1669 3HD2 LEU 101 3HD2 LEU 101 9.058 -8.293 -1.584 1670 H VAL 102 H VAL 102 10.304 -3.590 -3.577 1671 HA VAL 102 HA VAL 102 9.258 -1.473 -1.839 1672 HB VAL 102 HB VAL 102 11.413 -1.316 -3.951 1673 1HG1 VAL 102 1HG1 VAL 102 11.104 0.553 -1.614 1674 2HG1 VAL 102 2HG1 VAL 102 11.864 0.830 -3.200 1675 3HG1 VAL 102 3HG1 VAL 102 10.091 0.765 -3.063 1676 1HG2 VAL 102 1HG2 VAL 102 11.502 -2.494 -1.304 1677 2HG2 VAL 102 2HG2 VAL 102 12.760 -2.429 -2.562 1678 3HG2 VAL 102 3HG2 VAL 102 12.586 -1.085 -1.407 1679 H ILE 103 H ILE 103 7.510 -0.354 -2.523 1680 HA ILE 103 HA ILE 103 7.176 0.040 -5.383 1681 HB ILE 103 HB ILE 103 5.114 -1.282 -3.618 1682 1HG1 ILE 103 1HG1 ILE 103 6.944 -2.725 -4.559 1683 2HG1 ILE 103 2HG1 ILE 103 5.317 -3.180 -5.025 1684 1HG2 ILE 103 1HG2 ILE 103 3.553 -0.319 -4.867 1685 2HG2 ILE 103 2HG2 ILE 103 4.776 0.437 -5.916 1686 3HG2 ILE 103 3HG2 ILE 103 4.197 -1.209 -6.267 1687 1HD1 ILE 103 1HD1 ILE 103 5.565 -2.291 -7.229 1688 2HD1 ILE 103 2HD1 ILE 103 7.003 -1.347 -6.771 1689 3HD1 ILE 103 3HD1 ILE 103 7.105 -3.120 -6.895 1690 H ASP 104 H ASP 104 5.995 1.940 -5.896 1691 HA ASP 104 HA ASP 104 5.697 3.662 -3.574 1692 1HB ASP 104 1HB ASP 104 7.258 4.409 -5.375 1693 2HB ASP 104 2HB ASP 104 5.955 4.326 -6.545 1694 H TYR 105 H TYR 105 3.743 5.082 -3.501 1695 HA TYR 105 HA TYR 105 1.534 4.008 -5.125 1696 1HB TYR 105 1HB TYR 105 1.605 3.506 -2.598 1697 2HB TYR 105 2HB TYR 105 1.618 5.232 -2.296 1698 HD1 TYR 105 HD1 TYR 105 -0.399 6.557 -3.491 1699 HD2 TYR 105 HD2 TYR 105 -0.432 2.401 -2.475 1700 HE1 TYR 105 HE1 TYR 105 -2.942 6.570 -3.489 1701 HE2 TYR 105 HE2 TYR 105 -2.975 2.428 -2.476 1702 HH TYR 105 HH TYR 105 -4.754 4.273 -2.074 1703 H LYS 106 H LYS 106 0.862 5.465 -6.615 1704 HA LYS 106 HA LYS 106 0.830 8.277 -5.773 1705 1HB LYS 106 1HB LYS 106 2.701 8.023 -7.266 1706 2HB LYS 106 2HB LYS 106 1.738 7.130 -8.425 1707 1HG LYS 106 1HG LYS 106 1.295 9.117 -9.432 1708 2HG LYS 106 2HG LYS 106 0.264 9.490 -8.065 1709 1HD LYS 106 1HD LYS 106 2.738 10.121 -7.020 1710 2HD LYS 106 2HD LYS 106 2.996 10.502 -8.711 1711 1HE LYS 106 1HE LYS 106 0.422 11.474 -7.506 1712 2HE LYS 106 2HE LYS 106 1.887 12.258 -6.948 1713 1HZ LYS 106 1HZ LYS 106 2.450 12.742 -9.213 1714 2HZ LYS 106 2HZ LYS 106 1.138 11.947 -9.773 1715 3HZ LYS 106 3HZ LYS 106 0.953 13.315 -8.899 1716 HA PRO 107 HA PRO 107 -3.358 7.450 -6.818 1717 1HB PRO 107 1HB PRO 107 -4.436 9.575 -5.480 1718 2HB PRO 107 2HB PRO 107 -4.135 8.021 -4.728 1719 1HG PRO 107 1HG PRO 107 -2.623 10.545 -4.439 1720 2HG PRO 107 2HG PRO 107 -2.609 9.132 -3.402 1721 1HD PRO 107 1HD PRO 107 -0.599 9.883 -5.306 1722 2HD PRO 107 2HD PRO 107 -0.643 8.413 -4.354 1723 H THR 108 H THR 108 -4.170 7.752 -8.785 1724 HA THR 108 HA THR 108 -3.995 10.522 -9.762 1725 HB THR 108 HB THR 108 -3.207 7.902 -11.118 1726 HG1 THR 108 HG1 THR 108 -1.744 9.393 -9.810 1727 1HG2 THR 108 1HG2 THR 108 -4.669 9.792 -12.475 1728 2HG2 THR 108 2HG2 THR 108 -3.041 10.500 -12.601 1729 3HG2 THR 108 3HG2 THR 108 -3.350 8.862 -13.224 1730 H SER 109 H SER 109 -6.014 11.289 -9.797 1731 HA SER 109 HA SER 109 -8.180 9.472 -10.116 1732 1HB SER 109 1HB SER 109 -7.778 12.202 -9.197 1733 2HB SER 109 2HB SER 109 -9.096 12.165 -10.352 1734 HG SER 109 HG SER 109 -8.893 10.950 -7.789 1735 H VAL 110 H VAL 110 -9.386 9.086 -11.981 1736 HA VAL 110 HA VAL 110 -8.342 10.301 -14.411 1737 HB VAL 110 HB VAL 110 -9.916 8.519 -15.413 1738 1HG1 VAL 110 1HG1 VAL 110 -7.381 8.475 -15.250 1739 2HG1 VAL 110 2HG1 VAL 110 -7.580 7.478 -13.789 1740 3HG1 VAL 110 3HG1 VAL 110 -8.185 6.890 -15.357 1741 1HG2 VAL 110 1HG2 VAL 110 -10.928 8.231 -12.973 1742 2HG2 VAL 110 2HG2 VAL 110 -10.806 6.859 -14.101 1743 3HG2 VAL 110 3HG2 VAL 110 -9.591 7.067 -12.816 1744 H SER 111 H SER 111 -9.640 11.463 -15.890 1745 HA SER 111 HA SER 111 -11.685 12.937 -14.655 1746 1HB SER 111 1HB SER 111 -11.858 13.340 -17.454 1747 2HB SER 111 2HB SER 111 -11.027 14.350 -16.287 1748 HG SER 111 HG SER 111 -9.938 12.159 -17.826 1749 H LEU 112 H LEU 112 -13.871 12.516 -14.564 1750 HA LEU 112 HA LEU 112 -14.968 10.686 -16.564 1751 1HB LEU 112 1HB LEU 112 -16.267 9.569 -14.771 1752 2HB LEU 112 2HB LEU 112 -14.545 9.240 -14.755 1753 HG LEU 112 HG LEU 112 -14.759 11.388 -13.024 1754 1HD1 LEU 112 1HD1 LEU 112 -16.807 11.566 -12.198 1755 2HD1 LEU 112 2HD1 LEU 112 -17.372 10.250 -13.254 1756 3HD1 LEU 112 3HD1 LEU 112 -16.724 9.879 -11.639 1757 1HD2 LEU 112 1HD2 LEU 112 -14.690 9.408 -11.267 1758 2HD2 LEU 112 2HD2 LEU 112 -14.449 8.432 -12.736 1759 3HD2 LEU 112 3HD2 LEU 112 -13.319 9.751 -12.348
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