NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
10066 | 1p6t | 5813 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 H1 MET 1 2.077 -22.642 9.568 2 2H MET 1 H2 MET 1 2.160 -24.239 10.038 3 3H MET 1 H3 MET 1 3.254 -23.103 10.589 4 HA MET 1 HA MET 1 4.258 -24.466 8.935 5 1HB MET 1 2HB MET 1 1.738 -24.081 7.626 6 2HB MET 1 3HB MET 1 2.900 -23.180 6.658 7 1HG MET 1 2HG MET 1 2.737 -25.434 5.822 8 2HG MET 1 3HG MET 1 4.333 -25.242 6.557 9 1HE MET 1 1HE MET 1 3.571 -29.004 7.233 10 2HE MET 1 2HE MET 1 3.202 -28.050 5.778 11 3HE MET 1 3HE MET 1 4.758 -27.830 6.619 12 H LEU 2 H LEU 2 5.363 -23.144 6.870 13 HA LEU 2 HA LEU 2 6.197 -20.522 7.972 14 1HB LEU 2 2HB LEU 2 7.946 -20.523 6.426 15 2HB LEU 2 3HB LEU 2 7.971 -22.086 7.212 16 HG LEU 2 HG LEU 2 6.605 -21.787 4.498 17 1HD1 LEU 2 1HD1 LEU 2 9.591 -22.091 4.977 18 2HD1 LEU 2 2HD1 LEU 2 8.762 -22.235 3.411 19 3HD1 LEU 2 3HD1 LEU 2 8.777 -20.683 4.258 20 1HD2 LEU 2 1HD2 LEU 2 7.496 -24.098 4.196 21 2HD2 LEU 2 2HD2 LEU 2 8.145 -24.057 5.845 22 3HD2 LEU 2 3HD2 LEU 2 6.392 -24.009 5.560 23 H SER 3 H SER 3 6.617 -19.048 5.796 24 HA SER 3 HA SER 3 5.758 -17.832 4.092 25 1HB SER 3 2HB SER 3 3.011 -19.072 4.195 26 2HB SER 3 3HB SER 3 3.858 -18.297 2.853 27 HG SER 3 HG SER 3 4.243 -20.844 3.985 28 H GLU 4 H GLU 4 4.558 -15.814 4.149 29 HA GLU 4 HA GLU 4 2.944 -15.298 6.570 30 1HB GLU 4 2HB GLU 4 5.358 -14.785 7.148 31 2HB GLU 4 3HB GLU 4 5.308 -13.508 5.917 32 1HG GLU 4 2HG GLU 4 3.305 -12.536 7.160 33 2HG GLU 4 3HG GLU 4 3.549 -13.772 8.404 34 H GLN 5 H GLN 5 1.351 -15.389 5.034 35 HA GLN 5 HA GLN 5 0.941 -13.849 2.731 36 1HB GLN 5 2HB GLN 5 -0.910 -14.714 5.012 37 2HB GLN 5 3HB GLN 5 -1.503 -13.987 3.521 38 1HG GLN 5 2HG GLN 5 0.215 -16.536 3.585 39 2HG GLN 5 3HG GLN 5 -1.554 -16.513 3.550 40 1HE2 GLN 5 1HE2 GLN 5 1.006 -16.953 1.380 41 2HE2 GLN 5 2HE2 GLN 5 0.084 -16.423 0.012 42 H LYS 6 H LYS 6 0.622 -11.677 2.386 43 HA LYS 6 HA LYS 6 0.291 -9.916 4.782 44 1HB LYS 6 2HB LYS 6 0.676 -8.104 3.527 45 2HB LYS 6 3HB LYS 6 1.975 -9.216 3.036 46 1HG LYS 6 2HG LYS 6 0.641 -9.600 0.881 47 2HG LYS 6 3HG LYS 6 -0.602 -8.500 1.482 48 1HD LYS 6 2HD LYS 6 0.605 -7.078 0.159 49 2HD LYS 6 3HD LYS 6 1.197 -6.718 1.761 50 1HE LYS 6 2HE LYS 6 3.019 -8.542 1.200 51 2HE LYS 6 3HE LYS 6 2.485 -8.347 -0.477 52 1HZ LYS 6 1HZ LYS 6 4.327 -6.932 -0.089 53 2HZ LYS 6 2HZ LYS 6 3.016 -5.938 -0.180 54 3HZ LYS 6 3HZ LYS 6 3.672 -6.308 1.275 55 H GLU 7 H GLU 7 -1.399 -8.430 4.746 56 HA GLU 7 HA GLU 7 -3.762 -8.855 3.051 57 1HB GLU 7 2HB GLU 7 -3.602 -7.072 5.499 58 2HB GLU 7 3HB GLU 7 -4.966 -7.983 4.844 59 1HG GLU 7 2HG GLU 7 -4.490 -9.133 6.784 60 2HG GLU 7 3HG GLU 7 -3.576 -10.094 5.629 61 H ILE 8 H ILE 8 -4.201 -7.062 1.701 62 HA ILE 8 HA ILE 8 -2.857 -4.477 2.380 63 HB ILE 8 HB ILE 8 -2.032 -5.915 0.267 64 1HG1 ILE 8 2HG1 ILE 8 -1.689 -3.621 -0.938 65 2HG1 ILE 8 3HG1 ILE 8 -2.371 -2.948 0.558 66 1HG2 ILE 8 1HG2 ILE 8 -3.113 -5.334 -1.816 67 2HG2 ILE 8 2HG2 ILE 8 -4.243 -6.148 -0.722 68 3HG2 ILE 8 3HG2 ILE 8 -4.337 -4.382 -0.970 69 1HD1 ILE 8 1HD1 ILE 8 0.086 -3.103 0.743 70 2HD1 ILE 8 2HD1 ILE 8 -0.629 -4.303 1.832 71 3HD1 ILE 8 3HD1 ILE 8 0.046 -4.800 0.263 72 H ALA 9 H ALA 9 -4.453 -2.934 2.844 73 HA ALA 9 HA ALA 9 -7.212 -3.547 1.829 74 1HB ALA 9 1HB ALA 9 -7.029 -3.963 4.229 75 2HB ALA 9 2HB ALA 9 -6.350 -2.340 4.484 76 3HB ALA 9 3HB ALA 9 -8.021 -2.525 3.910 77 H MET 10 H MET 10 -7.637 -2.094 0.219 78 HA MET 10 HA MET 10 -6.780 0.756 0.550 79 1HB MET 10 2HB MET 10 -6.356 -1.105 -1.820 80 2HB MET 10 3HB MET 10 -6.154 0.650 -1.910 81 1HG MET 10 2HG MET 10 -4.216 0.634 -0.569 82 2HG MET 10 3HG MET 10 -4.580 -0.909 0.162 83 1HE MET 10 1HE MET 10 -3.060 -0.775 -4.174 84 2HE MET 10 2HE MET 10 -4.751 -0.425 -3.758 85 3HE MET 10 3HE MET 10 -3.462 0.706 -3.271 86 H GLN 11 H GLN 11 -8.069 2.217 -0.731 87 HA GLN 11 HA GLN 11 -10.826 1.283 -1.225 88 1HB GLN 11 2HB GLN 11 -10.255 3.361 0.148 89 2HB GLN 11 3HB GLN 11 -9.804 4.129 -1.373 90 1HG GLN 11 2HG GLN 11 -12.135 3.553 -2.259 91 2HG GLN 11 3HG GLN 11 -12.511 2.981 -0.624 92 1HE2 GLN 11 1HE2 GLN 11 -13.835 4.475 0.341 93 2HE2 GLN 11 2HE2 GLN 11 -13.506 6.199 0.344 94 H VAL 12 H VAL 12 -11.648 1.042 -3.258 95 HA VAL 12 HA VAL 12 -10.147 2.031 -5.604 96 HB VAL 12 HB VAL 12 -9.864 -0.384 -5.355 97 1HG1 VAL 12 1HG1 VAL 12 -12.897 -0.578 -5.455 98 2HG1 VAL 12 2HG1 VAL 12 -11.766 -1.937 -5.456 99 3HG1 VAL 12 3HG1 VAL 12 -11.924 -0.919 -4.015 100 1HG2 VAL 12 1HG2 VAL 12 -11.866 0.285 -7.537 101 2HG2 VAL 12 2HG2 VAL 12 -10.106 0.556 -7.616 102 3HG2 VAL 12 3HG2 VAL 12 -10.757 -1.095 -7.515 103 H SER 13 H SER 13 -11.430 2.902 -7.235 104 HA SER 13 HA SER 13 -14.289 3.473 -6.516 105 1HB SER 13 2HB SER 13 -12.485 5.067 -8.330 106 2HB SER 13 3HB SER 13 -14.071 5.528 -7.693 107 HG SER 13 HG SER 13 -11.745 5.076 -6.110 108 H GLY 14 H GLY 14 -15.616 3.941 -8.480 109 1HA GLY 14 2HA GLY 14 -16.252 3.595 -10.704 110 2HA GLY 14 3HA GLY 14 -14.857 2.546 -10.986 111 H MET 15 H MET 15 -15.945 1.525 -8.068 112 HA MET 15 HA MET 15 -17.088 -0.884 -9.186 113 1HB MET 15 2HB MET 15 -17.009 0.107 -6.314 114 2HB MET 15 3HB MET 15 -17.577 -1.488 -6.833 115 1HG MET 15 2HG MET 15 -15.291 -1.801 -7.951 116 2HG MET 15 3HG MET 15 -14.765 -0.399 -7.011 117 1HE MET 15 1HE MET 15 -14.955 -0.361 -4.295 118 2HE MET 15 2HE MET 15 -16.596 -1.046 -4.248 119 3HE MET 15 3HE MET 15 -15.288 -1.815 -3.327 120 H THR 16 H THR 16 -19.119 -1.182 -9.911 121 HA THR 16 HA THR 16 -21.426 0.317 -9.052 122 HB THR 16 HB THR 16 -21.295 -2.487 -10.243 123 HG1 THR 16 1HG THR 16 -21.022 0.077 -11.389 124 1HG2 THR 16 1HG2 THR 16 -23.573 -1.900 -9.570 125 2HG2 THR 16 2HG2 THR 16 -23.439 -0.323 -10.382 126 3HG2 THR 16 3HG2 THR 16 -23.427 -1.825 -11.331 127 H CYS 17 H CYS 17 -19.522 -2.151 -7.569 128 HA CYS 17 HA CYS 17 -19.579 -2.977 -5.456 129 1HB CYS 17 2HB CYS 17 -21.853 -0.981 -5.025 130 2HB CYS 17 3HB CYS 17 -21.214 -2.043 -3.780 131 HG CYS 17 HG CYS 17 -20.171 0.256 -3.401 132 H ALA 18 H ALA 18 -20.413 -4.448 -7.399 133 HA ALA 18 HA ALA 18 -21.918 -6.498 -6.083 134 1HB ALA 18 1HB ALA 18 -23.712 -6.692 -7.834 135 2HB ALA 18 2HB ALA 18 -23.865 -5.228 -6.858 136 3HB ALA 18 3HB ALA 18 -23.206 -5.114 -8.494 137 H ALA 19 H ALA 19 -22.248 -6.650 -9.476 138 HA ALA 19 HA ALA 19 -20.463 -8.723 -9.883 139 1HB ALA 19 1HB ALA 19 -21.425 -6.658 -11.904 140 2HB ALA 19 2HB ALA 19 -20.741 -8.253 -12.280 141 3HB ALA 19 3HB ALA 19 -22.289 -8.137 -11.421 142 H CYS 20 H CYS 20 -19.738 -5.208 -9.949 143 HA CYS 20 HA CYS 20 -17.305 -5.374 -11.448 144 1HB CYS 20 2HB CYS 20 -18.427 -3.390 -9.415 145 2HB CYS 20 3HB CYS 20 -16.880 -3.152 -10.240 146 HG CYS 20 HG CYS 20 -17.761 -3.187 -12.650 147 H ALA 21 H ALA 21 -18.013 -5.093 -7.983 148 HA ALA 21 HA ALA 21 -15.402 -5.337 -6.961 149 1HB ALA 21 1HB ALA 21 -17.519 -4.556 -5.796 150 2HB ALA 21 2HB ALA 21 -18.024 -6.254 -5.673 151 3HB ALA 21 3HB ALA 21 -16.559 -5.680 -4.859 152 H ALA 22 H ALA 22 -17.958 -7.827 -7.467 153 HA ALA 22 HA ALA 22 -16.361 -10.055 -6.681 154 1HB ALA 22 1HB ALA 22 -18.023 -11.407 -7.897 155 2HB ALA 22 2HB ALA 22 -18.823 -10.135 -6.950 156 3HB ALA 22 3HB ALA 22 -18.640 -9.954 -8.710 157 H ARG 23 H ARG 23 -16.628 -8.431 -9.885 158 HA ARG 23 HA ARG 23 -15.162 -10.388 -11.338 159 1HB ARG 23 2HB ARG 23 -16.017 -7.531 -11.772 160 2HB ARG 23 3HB ARG 23 -14.593 -8.032 -12.650 161 1HG ARG 23 2HG ARG 23 -17.259 -9.485 -12.739 162 2HG ARG 23 3HG ARG 23 -16.642 -8.335 -13.941 163 1HD ARG 23 2HD ARG 23 -14.501 -10.099 -13.646 164 2HD ARG 23 3HD ARG 23 -15.860 -11.191 -13.497 165 HE ARG 23 HE ARG 23 -14.857 -9.823 -15.851 166 1HH1 ARG 23 2HH2 ARG 23 -17.851 -10.972 -14.434 167 2HH1 ARG 23 1HH2 ARG 23 -18.660 -11.291 -15.940 168 1HH2 ARG 23 2HH1 ARG 23 -15.886 -10.175 -17.897 169 2HH2 ARG 23 1HH1 ARG 23 -17.502 -10.792 -17.967 170 H ILE 24 H ILE 24 -14.167 -7.447 -9.485 171 HA ILE 24 HA ILE 24 -11.426 -7.674 -10.207 172 HB ILE 24 HB ILE 24 -12.706 -6.477 -7.733 173 1HG1 ILE 24 2HG1 ILE 24 -11.609 -5.110 -10.263 174 2HG1 ILE 24 3HG1 ILE 24 -13.304 -5.541 -10.136 175 1HG2 ILE 24 1HG2 ILE 24 -10.686 -5.247 -7.429 176 2HG2 ILE 24 2HG2 ILE 24 -10.378 -6.980 -7.364 177 3HG2 ILE 24 3HG2 ILE 24 -9.949 -6.064 -8.836 178 1HD1 ILE 24 1HD1 ILE 24 -13.127 -3.261 -9.572 179 2HD1 ILE 24 2HD1 ILE 24 -13.499 -4.133 -8.079 180 3HD1 ILE 24 3HD1 ILE 24 -11.835 -3.549 -8.400 181 H GLU 25 H GLU 25 -13.119 -8.816 -7.165 182 HA GLU 25 HA GLU 25 -10.836 -10.116 -6.217 183 1HB GLU 25 2HB GLU 25 -13.739 -10.930 -5.737 184 2HB GLU 25 3HB GLU 25 -12.347 -11.280 -4.704 185 1HG GLU 25 2HG GLU 25 -13.668 -8.609 -5.194 186 2HG GLU 25 3HG GLU 25 -13.391 -9.448 -3.680 187 H LYS 26 H LYS 26 -13.340 -11.479 -8.397 188 HA LYS 26 HA LYS 26 -12.243 -14.107 -8.446 189 1HB LYS 26 2HB LYS 26 -14.490 -13.684 -9.105 190 2HB LYS 26 3HB LYS 26 -13.997 -12.558 -10.381 191 1HG LYS 26 2HG LYS 26 -13.301 -14.164 -11.797 192 2HG LYS 26 3HG LYS 26 -12.776 -15.262 -10.519 193 1HD LYS 26 2HD LYS 26 -15.727 -14.698 -10.975 194 2HD LYS 26 3HD LYS 26 -14.907 -15.880 -11.991 195 1HE LYS 26 2HE LYS 26 -14.938 -16.013 -8.929 196 2HE LYS 26 3HE LYS 26 -16.112 -16.834 -9.964 197 1HZ LYS 26 1HZ LYS 26 -14.327 -18.074 -10.955 198 2HZ LYS 26 2HZ LYS 26 -13.206 -17.320 -10.012 199 3HZ LYS 26 3HZ LYS 26 -14.340 -18.291 -9.330 200 H GLY 27 H GLY 27 -11.633 -11.182 -10.454 201 1HA GLY 27 2HA GLY 27 -9.852 -12.392 -12.335 202 2HA GLY 27 3HA GLY 27 -9.956 -10.674 -11.903 203 H LEU 28 H LEU 28 -9.360 -10.822 -9.148 204 HA LEU 28 HA LEU 28 -6.488 -11.047 -9.261 205 1HB LEU 28 2HB LEU 28 -8.525 -10.254 -7.165 206 2HB LEU 28 3HB LEU 28 -6.881 -10.612 -6.665 207 HG LEU 28 HG LEU 28 -7.283 -8.152 -7.066 208 1HD1 LEU 28 1HD1 LEU 28 -5.178 -9.307 -8.927 209 2HD1 LEU 28 2HD1 LEU 28 -5.214 -7.740 -8.099 210 3HD1 LEU 28 3HD1 LEU 28 -5.036 -9.232 -7.164 211 1HD2 LEU 28 1HD2 LEU 28 -7.719 -8.896 -9.955 212 2HD2 LEU 28 2HD2 LEU 28 -8.776 -8.044 -8.835 213 3HD2 LEU 28 3HD2 LEU 28 -7.281 -7.285 -9.355 214 H LYS 29 H LYS 29 -9.063 -13.106 -7.878 215 HA LYS 29 HA LYS 29 -7.368 -15.046 -6.738 216 1HB LYS 29 2HB LYS 29 -10.211 -14.931 -7.497 217 2HB LYS 29 3HB LYS 29 -9.513 -16.505 -7.843 218 1HG LYS 29 2HG LYS 29 -10.233 -16.809 -5.669 219 2HG LYS 29 3HG LYS 29 -8.532 -16.433 -5.449 220 1HD LYS 29 2HD LYS 29 -9.391 -14.915 -3.908 221 2HD LYS 29 3HD LYS 29 -9.453 -13.927 -5.363 222 1HE LYS 29 2HE LYS 29 -11.636 -13.604 -4.605 223 2HE LYS 29 3HE LYS 29 -11.892 -14.999 -5.640 224 1HZ LYS 29 1HZ LYS 29 -12.916 -15.266 -3.497 225 2HZ LYS 29 2HZ LYS 29 -11.688 -16.358 -3.595 226 3HZ LYS 29 3HZ LYS 29 -11.520 -14.987 -2.697 227 H ARG 30 H ARG 30 -7.584 -14.283 -10.113 228 HA ARG 30 HA ARG 30 -6.814 -16.838 -11.141 229 1HB ARG 30 2HB ARG 30 -7.390 -14.411 -12.273 230 2HB ARG 30 3HB ARG 30 -5.639 -14.361 -12.347 231 1HG ARG 30 2HG ARG 30 -6.212 -15.356 -14.385 232 2HG ARG 30 3HG ARG 30 -5.902 -16.790 -13.388 233 1HD ARG 30 2HD ARG 30 -8.402 -16.861 -12.890 234 2HD ARG 30 3HD ARG 30 -8.589 -15.472 -13.987 235 HE ARG 30 HE ARG 30 -7.227 -17.744 -15.200 236 1HH1 ARG 30 2HH2 ARG 30 -10.400 -16.419 -14.437 237 2HH1 ARG 30 1HH2 ARG 30 -11.248 -17.268 -15.694 238 1HH2 ARG 30 2HH1 ARG 30 -8.328 -18.938 -16.860 239 2HH2 ARG 30 1HH1 ARG 30 -10.035 -18.757 -17.085 240 H MET 31 H MET 31 -5.066 -14.408 -9.277 241 HA MET 31 HA MET 31 -2.421 -15.206 -10.173 242 1HB MET 31 2HB MET 31 -3.481 -13.462 -7.933 243 2HB MET 31 3HB MET 31 -1.756 -13.719 -8.174 244 1HG MET 31 2HG MET 31 -3.458 -12.780 -10.496 245 2HG MET 31 3HG MET 31 -2.937 -11.646 -9.261 246 1HE MET 31 1HE MET 31 -2.219 -11.350 -12.367 247 2HE MET 31 2HE MET 31 -1.750 -10.184 -11.095 248 3HE MET 31 3HE MET 31 -0.527 -10.812 -12.227 249 HA PRO 32 HA PRO 32 -2.012 -18.625 -7.383 250 1HB PRO 32 2HB PRO 32 0.699 -18.845 -7.084 251 2HB PRO 32 3HB PRO 32 -0.156 -19.218 -8.604 252 1HG PRO 32 2HG PRO 32 1.251 -16.644 -7.870 253 2HG PRO 32 3HG PRO 32 1.414 -17.585 -9.376 254 1HD PRO 32 2HD PRO 32 -0.238 -15.426 -9.213 255 2HD PRO 32 3HD PRO 32 -0.713 -16.874 -10.151 256 H GLY 33 H GLY 33 -0.091 -15.677 -6.425 257 1HA GLY 33 2HA GLY 33 0.335 -16.514 -3.765 258 2HA GLY 33 3HA GLY 33 0.438 -14.856 -4.373 259 H VAL 34 H VAL 34 -2.284 -14.771 -5.339 260 HA VAL 34 HA VAL 34 -3.687 -13.683 -3.138 261 HB VAL 34 HB VAL 34 -4.642 -14.582 -5.857 262 1HG1 VAL 34 1HG1 VAL 34 -6.084 -13.102 -3.617 263 2HG1 VAL 34 2HG1 VAL 34 -6.633 -13.136 -5.307 264 3HG1 VAL 34 3HG1 VAL 34 -6.581 -14.633 -4.371 265 1HG2 VAL 34 1HG2 VAL 34 -4.098 -11.845 -4.585 266 2HG2 VAL 34 2HG2 VAL 34 -3.038 -12.644 -5.759 267 3HG2 VAL 34 3HG2 VAL 34 -4.659 -12.118 -6.238 268 H THR 35 H THR 35 -3.821 -14.772 -1.393 269 HA THR 35 HA THR 35 -4.576 -17.560 -1.404 270 HB THR 35 HB THR 35 -3.811 -15.615 0.756 271 HG1 THR 35 1HG THR 35 -2.264 -16.488 -0.799 272 1HG2 THR 35 1HG2 THR 35 -4.517 -18.563 1.024 273 2HG2 THR 35 2HG2 THR 35 -3.629 -17.612 2.235 274 3HG2 THR 35 3HG2 THR 35 -5.302 -17.189 1.841 275 H ASP 36 H ASP 36 -5.832 -14.330 -0.439 276 HA ASP 36 HA ASP 36 -8.517 -15.326 -0.947 277 1HB ASP 36 2HB ASP 36 -8.029 -15.684 1.548 278 2HB ASP 36 3HB ASP 36 -7.982 -13.929 1.705 279 H ALA 37 H ALA 37 -10.012 -13.446 -1.095 280 HA ALA 37 HA ALA 37 -8.789 -10.848 -1.659 281 1HB ALA 37 1HB ALA 37 -9.090 -10.740 -4.002 282 2HB ALA 37 2HB ALA 37 -8.314 -12.304 -3.742 283 3HB ALA 37 3HB ALA 37 -10.063 -12.205 -4.036 284 H ASN 38 H ASN 38 -10.259 -9.468 -0.854 285 HA ASN 38 HA ASN 38 -13.149 -10.135 -1.007 286 1HB ASN 38 2HB ASN 38 -11.572 -9.459 1.521 287 2HB ASN 38 3HB ASN 38 -13.337 -9.448 1.399 288 1HD2 ASN 38 1HD2 ASN 38 -10.464 -11.537 1.158 289 2HD2 ASN 38 2HD2 ASN 38 -11.325 -13.062 1.234 290 H VAL 39 H VAL 39 -14.473 -8.280 -0.516 291 HA VAL 39 HA VAL 39 -13.247 -5.618 -0.819 292 HB VAL 39 HB VAL 39 -13.297 -6.474 -3.070 293 1HG1 VAL 39 1HG1 VAL 39 -16.307 -6.870 -2.884 294 2HG1 VAL 39 2HG1 VAL 39 -15.210 -7.252 -4.226 295 3HG1 VAL 39 3HG1 VAL 39 -15.144 -8.196 -2.747 296 1HG2 VAL 39 1HG2 VAL 39 -13.808 -4.092 -2.628 297 2HG2 VAL 39 2HG2 VAL 39 -14.522 -4.713 -4.123 298 3HG2 VAL 39 3HG2 VAL 39 -15.544 -4.470 -2.686 299 H ASN 40 H ASN 40 -13.992 -4.727 0.848 300 HA ASN 40 HA ASN 40 -16.658 -5.373 1.897 301 1HB ASN 40 2HB ASN 40 -14.363 -4.908 3.172 302 2HB ASN 40 3HB ASN 40 -14.828 -3.220 3.019 303 1HD2 ASN 40 1HD2 ASN 40 -16.698 -2.497 4.251 304 2HD2 ASN 40 2HD2 ASN 40 -17.490 -3.573 5.412 305 H LEU 41 H LEU 41 -17.370 -4.725 -0.303 306 HA LEU 41 HA LEU 41 -17.260 -2.170 -1.371 307 1HB LEU 41 2HB LEU 41 -19.258 -2.806 -2.674 308 2HB LEU 41 3HB LEU 41 -17.980 -4.009 -2.658 309 HG LEU 41 HG LEU 41 -19.460 -5.042 -0.708 310 1HD1 LEU 41 1HD1 LEU 41 -21.612 -3.728 -2.406 311 2HD1 LEU 41 2HD1 LEU 41 -21.833 -4.779 -1.005 312 3HD1 LEU 41 3HD1 LEU 41 -21.182 -3.149 -0.789 313 1HD2 LEU 41 1HD2 LEU 41 -20.099 -5.238 -3.680 314 2HD2 LEU 41 2HD2 LEU 41 -18.882 -6.182 -2.795 315 3HD2 LEU 41 3HD2 LEU 41 -20.605 -6.417 -2.450 316 H ALA 42 H ALA 42 -19.121 -3.224 1.311 317 HA ALA 42 HA ALA 42 -21.077 -1.191 1.453 318 1HB ALA 42 1HB ALA 42 -21.082 -3.222 2.879 319 2HB ALA 42 2HB ALA 42 -19.607 -2.663 3.697 320 3HB ALA 42 3HB ALA 42 -21.124 -1.756 3.880 321 H THR 43 H THR 43 -17.627 -1.251 2.388 322 HA THR 43 HA THR 43 -17.690 1.660 2.976 323 HB THR 43 HB THR 43 -15.761 1.120 4.420 324 HG1 THR 43 1HG THR 43 -15.111 -0.957 4.687 325 1HG2 THR 43 1HG2 THR 43 -18.040 -0.802 5.108 326 2HG2 THR 43 2HG2 THR 43 -17.044 0.162 6.207 327 3HG2 THR 43 3HG2 THR 43 -18.251 0.947 5.155 328 H GLU 44 H GLU 44 -17.350 -0.053 0.400 329 HA GLU 44 HA GLU 44 -16.092 -0.178 -1.455 330 1HB GLU 44 2HB GLU 44 -15.535 2.710 -0.695 331 2HB GLU 44 3HB GLU 44 -15.357 2.010 -2.311 332 1HG GLU 44 2HG GLU 44 -17.761 1.442 -2.356 333 2HG GLU 44 3HG GLU 44 -17.979 2.155 -0.748 334 H THR 45 H THR 45 -14.593 -1.365 0.677 335 HA THR 45 HA THR 45 -11.783 -0.400 0.131 336 HB THR 45 HB THR 45 -13.052 -1.454 2.640 337 HG1 THR 45 1HG THR 45 -11.200 0.604 2.502 338 1HG2 THR 45 1HG2 THR 45 -10.096 -1.248 1.887 339 2HG2 THR 45 2HG2 THR 45 -10.716 -1.451 3.538 340 3HG2 THR 45 3HG2 THR 45 -10.988 -2.717 2.327 341 H VAL 46 H VAL 46 -10.725 -1.737 -1.171 342 HA VAL 46 HA VAL 46 -11.556 -4.559 -1.469 343 HB VAL 46 HB VAL 46 -11.290 -3.455 -3.527 344 1HG1 VAL 46 1HG1 VAL 46 -9.132 -2.528 -4.322 345 2HG1 VAL 46 2HG1 VAL 46 -9.851 -1.549 -3.047 346 3HG1 VAL 46 3HG1 VAL 46 -8.479 -2.619 -2.681 347 1HG2 VAL 46 1HG2 VAL 46 -8.804 -5.115 -3.073 348 2HG2 VAL 46 2HG2 VAL 46 -10.439 -5.796 -3.227 349 3HG2 VAL 46 3HG2 VAL 46 -9.710 -4.917 -4.586 350 H ASN 47 H ASN 47 -10.530 -6.091 -0.311 351 HA ASN 47 HA ASN 47 -7.972 -5.425 0.990 352 1HB ASN 47 2HB ASN 47 -9.714 -5.307 2.639 353 2HB ASN 47 3HB ASN 47 -10.310 -6.916 2.160 354 1HD2 ASN 47 1HD2 ASN 47 -9.902 -7.015 4.684 355 2HD2 ASN 47 2HD2 ASN 47 -8.323 -7.657 5.104 356 H VAL 48 H VAL 48 -6.465 -6.774 0.273 357 HA VAL 48 HA VAL 48 -7.306 -9.415 -0.893 358 HB VAL 48 HB VAL 48 -5.109 -7.786 -2.175 359 1HG1 VAL 48 1HG1 VAL 48 -5.594 -9.283 -4.071 360 2HG1 VAL 48 2HG1 VAL 48 -5.251 -10.248 -2.624 361 3HG1 VAL 48 3HG1 VAL 48 -6.922 -10.028 -3.166 362 1HG2 VAL 48 1HG2 VAL 48 -6.791 -7.190 -3.943 363 2HG2 VAL 48 2HG2 VAL 48 -8.080 -7.751 -2.857 364 3HG2 VAL 48 3HG2 VAL 48 -7.051 -6.368 -2.402 365 H ILE 49 H ILE 49 -6.099 -11.143 -0.331 366 HA ILE 49 HA ILE 49 -3.866 -10.605 1.508 367 HB ILE 49 HB ILE 49 -6.122 -12.594 1.679 368 1HG1 ILE 49 2HG1 ILE 49 -5.268 -10.653 3.847 369 2HG1 ILE 49 3HG1 ILE 49 -6.256 -10.057 2.516 370 1HG2 ILE 49 1HG2 ILE 49 -5.075 -13.401 3.798 371 2HG2 ILE 49 2HG2 ILE 49 -4.075 -13.766 2.395 372 3HG2 ILE 49 3HG2 ILE 49 -3.647 -12.410 3.456 373 1HD1 ILE 49 1HD1 ILE 49 -8.006 -11.683 2.975 374 2HD1 ILE 49 2HD1 ILE 49 -7.065 -12.354 4.328 375 3HD1 ILE 49 3HD1 ILE 49 -7.656 -10.682 4.396 376 H TYR 50 H TYR 50 -1.932 -11.525 0.835 377 HA TYR 50 HA TYR 50 -1.901 -13.887 -0.881 378 1HB TYR 50 2HB TYR 50 -0.767 -12.639 -2.789 379 2HB TYR 50 3HB TYR 50 -2.452 -12.202 -2.559 380 HD1 TYR 50 HD1 TYR 50 0.911 -10.843 -2.602 381 HD2 TYR 50 HD2 TYR 50 -3.206 -10.167 -1.529 382 HE1 TYR 50 HE1 TYR 50 1.291 -8.387 -2.604 383 HE2 TYR 50 HE2 TYR 50 -2.793 -7.760 -1.383 384 HH TYR 50 HH TYR 50 -1.295 -6.086 -1.687 385 H ASP 51 H ASP 51 0.473 -14.403 -1.541 386 HA ASP 51 HA ASP 51 2.218 -13.702 0.725 387 1HB ASP 51 2HB ASP 51 2.057 -15.978 -1.042 388 2HB ASP 51 3HB ASP 51 3.651 -15.281 -1.193 389 HA PRO 52 HA PRO 52 4.305 -10.599 -1.866 390 1HB PRO 52 2HB PRO 52 6.301 -9.796 -0.146 391 2HB PRO 52 3HB PRO 52 4.602 -9.402 0.082 392 1HG PRO 52 2HG PRO 52 6.139 -11.696 1.327 393 2HG PRO 52 3HG PRO 52 5.134 -10.491 2.182 394 1HD PRO 52 2HD PRO 52 4.204 -12.940 1.502 395 2HD PRO 52 3HD PRO 52 3.132 -11.519 1.423 396 H ALA 53 H ALA 53 4.785 -13.230 -2.662 397 HA ALA 53 HA ALA 53 7.530 -12.944 -3.607 398 1HB ALA 53 1HB ALA 53 7.945 -14.003 -1.352 399 2HB ALA 53 2HB ALA 53 6.877 -15.346 -1.839 400 3HB ALA 53 3HB ALA 53 8.405 -15.066 -2.698 401 H GLU 54 H GLU 54 4.886 -13.180 -4.605 402 HA GLU 54 HA GLU 54 5.433 -15.109 -6.731 403 1HB GLU 54 2HB GLU 54 2.854 -15.215 -5.076 404 2HB GLU 54 3HB GLU 54 3.099 -15.983 -6.653 405 1HG GLU 54 2HG GLU 54 5.119 -17.185 -5.579 406 2HG GLU 54 3HG GLU 54 4.420 -16.697 -4.023 407 H THR 55 H THR 55 3.201 -12.613 -5.321 408 HA THR 55 HA THR 55 2.131 -12.019 -7.994 409 HB THR 55 HB THR 55 1.183 -11.931 -5.111 410 HG1 THR 55 1HG THR 55 1.324 -13.911 -6.441 411 1HG2 THR 55 1HG2 THR 55 0.128 -10.030 -6.257 412 2HG2 THR 55 2HG2 THR 55 -0.247 -11.106 -7.625 413 3HG2 THR 55 3HG2 THR 55 -0.970 -11.402 -6.009 414 H GLY 56 H GLY 56 1.980 -9.937 -5.105 415 1HA GLY 56 2HA GLY 56 3.726 -8.306 -4.608 416 2HA GLY 56 3HA GLY 56 3.954 -8.040 -6.337 417 H THR 57 H THR 57 2.610 -6.753 -3.740 418 HA THR 57 HA THR 57 0.125 -5.737 -4.159 419 HB THR 57 HB THR 57 1.457 -5.147 -2.202 420 HG1 THR 57 1HG THR 57 -0.287 -3.753 -2.922 421 1HG2 THR 57 1HG2 THR 57 3.053 -3.301 -3.985 422 2HG2 THR 57 2HG2 THR 57 3.190 -3.576 -2.241 423 3HG2 THR 57 3HG2 THR 57 3.584 -4.891 -3.371 424 H ALA 58 H ALA 58 2.983 -4.567 -5.955 425 HA ALA 58 HA ALA 58 1.620 -2.553 -7.428 426 1HB ALA 58 1HB ALA 58 4.056 -4.202 -8.212 427 2HB ALA 58 2HB ALA 58 3.523 -2.687 -8.973 428 3HB ALA 58 3HB ALA 58 4.060 -2.684 -7.282 429 H ALA 59 H ALA 59 1.952 -6.094 -8.027 430 HA ALA 59 HA ALA 59 0.779 -5.932 -10.689 431 1HB ALA 59 1HB ALA 59 2.288 -7.750 -10.071 432 2HB ALA 59 2HB ALA 59 1.112 -8.310 -8.849 433 3HB ALA 59 3HB ALA 59 0.679 -8.322 -10.573 434 H ILE 60 H ILE 60 -0.292 -6.522 -7.343 435 HA ILE 60 HA ILE 60 -2.959 -7.338 -7.882 436 HB ILE 60 HB ILE 60 -2.000 -5.644 -5.561 437 1HG1 ILE 60 2HG1 ILE 60 -0.846 -8.004 -6.045 438 2HG1 ILE 60 3HG1 ILE 60 -1.217 -7.407 -4.442 439 1HG2 ILE 60 1HG2 ILE 60 -4.449 -7.386 -5.745 440 2HG2 ILE 60 2HG2 ILE 60 -3.826 -6.588 -4.283 441 3HG2 ILE 60 3HG2 ILE 60 -4.397 -5.616 -5.646 442 1HD1 ILE 60 1HD1 ILE 60 -1.725 -9.718 -4.654 443 2HD1 ILE 60 2HD1 ILE 60 -3.191 -8.810 -4.311 444 3HD1 ILE 60 3HD1 ILE 60 -2.882 -9.402 -5.974 445 H GLN 61 H GLN 61 -1.622 -4.046 -7.202 446 HA GLN 61 HA GLN 61 -4.063 -2.707 -7.800 447 1HB GLN 61 2HB GLN 61 -3.045 -0.736 -7.531 448 2HB GLN 61 3HB GLN 61 -1.939 -1.763 -6.617 449 1HG GLN 61 2HG GLN 61 -0.369 -1.722 -8.535 450 2HG GLN 61 3HG GLN 61 -1.508 -0.768 -9.492 451 1HE2 GLN 61 1HE2 GLN 61 -1.811 1.429 -9.010 452 2HE2 GLN 61 2HE2 GLN 61 -0.734 2.253 -7.847 453 H GLU 62 H GLU 62 -1.258 -3.623 -9.916 454 HA GLU 62 HA GLU 62 -2.236 -2.313 -12.194 455 1HB GLU 62 2HB GLU 62 0.007 -3.221 -12.096 456 2HB GLU 62 3HB GLU 62 -0.614 -4.884 -12.010 457 1HG GLU 62 2HG GLU 62 -1.429 -4.851 -14.207 458 2HG GLU 62 3HG GLU 62 -1.382 -3.067 -14.270 459 H LYS 63 H LYS 63 -3.233 -5.532 -10.808 460 HA LYS 63 HA LYS 63 -4.675 -6.239 -13.170 461 1HB LYS 63 2HB LYS 63 -3.727 -7.755 -11.325 462 2HB LYS 63 3HB LYS 63 -5.062 -7.182 -10.330 463 1HG LYS 63 2HG LYS 63 -5.920 -9.119 -11.113 464 2HG LYS 63 3HG LYS 63 -6.556 -8.019 -12.337 465 1HD LYS 63 2HD LYS 63 -4.135 -9.877 -12.508 466 2HD LYS 63 3HD LYS 63 -5.731 -10.168 -13.217 467 1HE LYS 63 2HE LYS 63 -5.370 -8.041 -14.618 468 2HE LYS 63 3HE LYS 63 -3.687 -8.055 -14.041 469 1HZ LYS 63 1HZ LYS 63 -3.466 -10.253 -15.010 470 2HZ LYS 63 2HZ LYS 63 -5.002 -10.174 -15.598 471 3HZ LYS 63 3HZ LYS 63 -3.859 -9.127 -16.137 472 H ILE 64 H ILE 64 -5.546 -4.605 -10.083 473 HA ILE 64 HA ILE 64 -8.329 -4.271 -10.576 474 HB ILE 64 HB ILE 64 -6.340 -2.483 -9.108 475 1HG1 ILE 64 2HG1 ILE 64 -8.483 -4.354 -8.002 476 2HG1 ILE 64 3HG1 ILE 64 -6.847 -4.936 -8.309 477 1HG2 ILE 64 1HG2 ILE 64 -9.370 -2.376 -9.186 478 2HG2 ILE 64 2HG2 ILE 64 -8.352 -1.495 -8.027 479 3HG2 ILE 64 3HG2 ILE 64 -8.234 -1.118 -9.736 480 1HD1 ILE 64 1HD1 ILE 64 -5.918 -3.337 -6.714 481 2HD1 ILE 64 2HD1 ILE 64 -7.535 -2.690 -6.371 482 3HD1 ILE 64 3HD1 ILE 64 -7.145 -4.366 -5.965 483 H GLU 65 H GLU 65 -5.533 -2.192 -11.475 484 HA GLU 65 HA GLU 65 -7.046 -0.230 -12.826 485 1HB GLU 65 2HB GLU 65 -4.150 -1.077 -13.214 486 2HB GLU 65 3HB GLU 65 -4.881 0.395 -13.867 487 1HG GLU 65 2HG GLU 65 -5.407 1.204 -11.606 488 2HG GLU 65 3HG GLU 65 -4.814 -0.263 -10.876 489 H LYS 66 H LYS 66 -5.421 -3.153 -14.207 490 HA LYS 66 HA LYS 66 -6.361 -2.840 -16.869 491 1HB LYS 66 2HB LYS 66 -5.315 -5.145 -15.272 492 2HB LYS 66 3HB LYS 66 -6.231 -5.478 -16.743 493 1HG LYS 66 2HG LYS 66 -4.006 -5.346 -17.419 494 2HG LYS 66 3HG LYS 66 -4.808 -3.914 -18.039 495 1HD LYS 66 2HD LYS 66 -3.830 -2.578 -16.165 496 2HD LYS 66 3HD LYS 66 -3.043 -4.049 -15.565 497 1HE LYS 66 2HE LYS 66 -1.636 -4.230 -17.519 498 2HE LYS 66 3HE LYS 66 -2.571 -2.996 -18.385 499 1HZ LYS 66 1HZ LYS 66 -0.719 -2.603 -16.134 500 2HZ LYS 66 2HZ LYS 66 -0.580 -2.039 -17.624 501 3HZ LYS 66 3HZ LYS 66 -1.749 -1.412 -16.641 502 H LEU 67 H LEU 67 -8.049 -4.206 -13.987 503 HA LEU 67 HA LEU 67 -10.258 -5.217 -15.515 504 1HB LEU 67 2HB LEU 67 -9.587 -4.798 -12.668 505 2HB LEU 67 3HB LEU 67 -11.285 -4.721 -13.036 506 HG LEU 67 HG LEU 67 -10.075 -7.026 -14.396 507 1HD1 LEU 67 1HD1 LEU 67 -9.786 -6.750 -11.400 508 2HD1 LEU 67 2HD1 LEU 67 -9.782 -8.310 -12.269 509 3HD1 LEU 67 3HD1 LEU 67 -8.559 -7.081 -12.634 510 1HD2 LEU 67 1HD2 LEU 67 -12.506 -6.635 -14.110 511 2HD2 LEU 67 2HD2 LEU 67 -11.986 -8.153 -13.350 512 3HD2 LEU 67 3HD2 LEU 67 -12.313 -6.726 -12.345 513 H GLY 68 H GLY 68 -9.293 -1.974 -14.928 514 1HA GLY 68 2HA GLY 68 -10.231 -0.212 -16.099 515 2HA GLY 68 3HA GLY 68 -11.780 -1.049 -16.239 516 H TYR 69 H TYR 69 -9.774 -0.461 -13.353 517 HA TYR 69 HA TYR 69 -11.814 1.416 -12.223 518 1HB TYR 69 2HB TYR 69 -10.437 -0.871 -10.778 519 2HB TYR 69 3HB TYR 69 -11.521 0.304 -10.042 520 HD1 TYR 69 HD1 TYR 69 -11.284 -2.582 -12.308 521 HD2 TYR 69 HD2 TYR 69 -13.971 0.188 -10.421 522 HE1 TYR 69 HE1 TYR 69 -13.249 -3.900 -13.130 523 HE2 TYR 69 HE2 TYR 69 -15.907 -1.126 -11.247 524 HH TYR 69 HH TYR 69 -15.445 -4.043 -13.270 525 H HIS 70 H HIS 70 -10.715 2.381 -10.068 526 HA HIS 70 HA HIS 70 -7.834 2.844 -10.503 527 1HB HIS 70 2HB HIS 70 -9.819 4.781 -11.279 528 2HB HIS 70 3HB HIS 70 -9.084 5.370 -9.795 529 HD1 HIS 70 1HD HIS 70 -8.048 4.315 -13.358 530 HD2 HIS 70 2HD HIS 70 -6.579 6.274 -9.933 531 HE1 HIS 70 1HE HIS 70 -5.840 5.421 -14.031 532 H VAL 71 H VAL 71 -6.718 3.261 -8.633 533 HA VAL 71 HA VAL 71 -8.174 2.721 -6.112 534 HB VAL 71 HB VAL 71 -5.987 2.116 -5.263 535 1HG1 VAL 71 1HG1 VAL 71 -7.451 0.414 -6.274 536 2HG1 VAL 71 2HG1 VAL 71 -6.655 0.655 -7.845 537 3HG1 VAL 71 3HG1 VAL 71 -5.735 0.016 -6.471 538 1HG2 VAL 71 1HG2 VAL 71 -4.899 2.468 -8.101 539 2HG2 VAL 71 2HG2 VAL 71 -4.515 3.529 -6.731 540 3HG2 VAL 71 3HG2 VAL 71 -4.033 1.832 -6.697 541 H VAL 72 H VAL 72 -8.189 4.124 -4.437 542 HA VAL 72 HA VAL 72 -7.582 6.923 -5.159 543 HB VAL 72 HB VAL 72 -8.854 5.751 -2.664 544 1HG1 VAL 72 1HG1 VAL 72 -8.114 8.135 -2.378 545 2HG1 VAL 72 2HG1 VAL 72 -8.985 8.564 -3.861 546 3HG1 VAL 72 3HG1 VAL 72 -9.870 8.004 -2.429 547 1HG2 VAL 72 1HG2 VAL 72 -10.124 6.709 -5.254 548 2HG2 VAL 72 2HG2 VAL 72 -10.196 5.067 -4.570 549 3HG2 VAL 72 3HG2 VAL 72 -11.018 6.397 -3.756 550 H THR 73 H THR 73 -5.222 5.997 -5.253 551 HA THR 73 HA THR 73 -3.928 6.063 -2.558 552 HB THR 73 HB THR 73 -2.821 4.460 -4.861 553 HG1 THR 73 1HG THR 73 -5.186 4.006 -3.464 554 1HG2 THR 73 1HG2 THR 73 -2.013 3.039 -3.105 555 2HG2 THR 73 2HG2 THR 73 -1.689 4.698 -2.591 556 3HG2 THR 73 3HG2 THR 73 -3.061 3.802 -1.894 557 H GLU 74 H GLU 74 -2.165 7.430 -2.360 558 HA GLU 74 HA GLU 74 -1.367 8.948 -4.799 559 1HB GLU 74 2HB GLU 74 -2.423 9.945 -2.141 560 2HB GLU 74 3HB GLU 74 -1.279 10.935 -3.053 561 1HG GLU 74 2HG GLU 74 -3.739 9.876 -4.462 562 2HG GLU 74 3HG GLU 74 -3.820 11.312 -3.432 563 H LYS 75 H LYS 75 0.609 9.621 -4.935 564 HA LYS 75 HA LYS 75 2.703 8.399 -3.263 565 1HB LYS 75 2HB LYS 75 4.209 8.940 -4.978 566 2HB LYS 75 3HB LYS 75 2.764 8.229 -5.689 567 1HG LYS 75 2HG LYS 75 2.004 10.673 -6.114 568 2HG LYS 75 3HG LYS 75 3.708 11.077 -5.821 569 1HD LYS 75 2HD LYS 75 4.378 9.374 -7.533 570 2HD LYS 75 3HD LYS 75 2.655 9.126 -7.903 571 1HE LYS 75 2HE LYS 75 2.460 11.575 -8.456 572 2HE LYS 75 3HE LYS 75 4.195 11.766 -8.149 573 1HZ LYS 75 1HZ LYS 75 2.995 10.061 -10.231 574 2HZ LYS 75 2HZ LYS 75 3.736 11.509 -10.474 575 3HZ LYS 75 3HZ LYS 75 4.611 10.220 -9.946 576 H ALA 76 H ALA 76 2.348 9.511 -1.306 577 HA ALA 76 HA ALA 76 2.699 12.478 -1.330 578 1HB ALA 76 1HB ALA 76 2.293 12.324 1.059 579 2HB ALA 76 2HB ALA 76 1.022 11.469 0.163 580 3HB ALA 76 3HB ALA 76 2.303 10.542 0.973 581 H GLU 77 H GLU 77 4.776 13.472 -0.934 582 HA GLU 77 HA GLU 77 6.996 11.596 -0.539 583 1HB GLU 77 2HB GLU 77 6.936 14.550 -1.166 584 2HB GLU 77 3HB GLU 77 8.346 13.453 -1.100 585 1HG GLU 77 2HG GLU 77 7.389 12.150 -3.003 586 2HG GLU 77 3HG GLU 77 6.061 13.321 -3.119 587 H PHE 78 H PHE 78 8.191 11.489 1.255 588 HA PHE 78 HA PHE 78 7.849 13.452 3.482 589 1HB PHE 78 2HB PHE 78 7.673 10.437 3.486 590 2HB PHE 78 3HB PHE 78 8.190 11.352 4.891 591 HD1 PHE 78 HD1 PHE 78 5.313 11.077 2.449 592 HD2 PHE 78 HD2 PHE 78 6.541 12.184 6.435 593 HE1 PHE 78 HE1 PHE 78 2.960 11.433 3.109 594 HE2 PHE 78 HE2 PHE 78 4.253 12.616 7.034 595 HZ PHE 78 HZ PHE 78 2.422 12.299 5.362 596 H ASP 79 H ASP 79 9.627 13.452 4.874 597 HA ASP 79 HA ASP 79 12.306 12.999 3.661 598 1HB ASP 79 2HB ASP 79 11.788 15.341 3.708 599 2HB ASP 79 3HB ASP 79 11.081 15.238 5.316 600 H ILE 80 H ILE 80 13.873 12.036 5.164 601 HA ILE 80 HA ILE 80 12.605 10.896 7.638 602 HB ILE 80 HB ILE 80 14.802 9.783 5.918 603 1HG1 ILE 80 2HG1 ILE 80 11.864 9.073 5.622 604 2HG1 ILE 80 3HG1 ILE 80 12.831 10.010 4.466 605 1HG2 ILE 80 1HG2 ILE 80 14.278 7.657 7.066 606 2HG2 ILE 80 2HG2 ILE 80 14.561 8.905 8.270 607 3HG2 ILE 80 3HG2 ILE 80 12.901 8.421 7.886 608 1HD1 ILE 80 1HD1 ILE 80 13.179 7.130 5.156 609 2HD1 ILE 80 2HD1 ILE 80 12.944 7.933 3.586 610 3HD1 ILE 80 3HD1 ILE 80 14.482 8.125 4.424 611 H GLU 81 H GLU 81 13.772 11.090 9.590 612 HA GLU 81 HA GLU 81 16.434 12.499 9.409 613 1HB GLU 81 2HB GLU 81 13.855 13.255 10.610 614 2HB GLU 81 3HB GLU 81 15.165 13.158 11.783 615 1HG GLU 81 2HG GLU 81 16.547 14.640 10.484 616 2HG GLU 81 3HG GLU 81 15.114 15.001 9.481 617 H GLY 82 H GLY 82 16.106 9.712 9.460 618 1HA GLY 82 2HA GLY 82 17.059 8.972 12.250 619 2HA GLY 82 3HA GLY 82 15.915 7.997 11.334 620 H MET 83 H MET 83 17.013 7.994 8.804 621 HA MET 83 HA MET 83 18.883 5.929 9.129 622 1HB MET 83 2HB MET 83 18.893 5.768 6.756 623 2HB MET 83 3HB MET 83 17.256 6.234 7.214 624 1HG MET 83 2HG MET 83 19.400 8.097 6.067 625 2HG MET 83 3HG MET 83 18.031 7.390 5.239 626 1HE MET 83 1HE MET 83 19.416 10.359 6.795 627 2HE MET 83 2HE MET 83 18.039 11.374 7.241 628 3HE MET 83 3HE MET 83 18.593 10.129 8.361 629 H THR 84 H THR 84 20.874 5.744 7.920 630 HA THR 84 HA THR 84 22.695 7.795 7.467 631 HB THR 84 HB THR 84 22.675 8.511 9.739 632 HG1 THR 84 1HG THR 84 24.728 8.301 8.936 633 1HG2 THR 84 1HG2 THR 84 23.010 7.139 11.682 634 2HG2 THR 84 2HG2 THR 84 21.576 6.549 10.844 635 3HG2 THR 84 3HG2 THR 84 23.117 5.662 10.724 636 H CYS 85 H CYS 85 22.329 4.549 9.001 637 HA CYS 85 HA CYS 85 24.932 3.770 7.826 638 1HB CYS 85 2HB CYS 85 24.333 3.399 10.238 639 2HB CYS 85 3HB CYS 85 23.143 2.187 9.713 640 HG CYS 85 HG CYS 85 24.862 0.695 8.417 641 H ALA 86 H ALA 86 22.846 4.180 5.969 642 HA ALA 86 HA ALA 86 21.304 3.283 4.529 643 1HB ALA 86 1HB ALA 86 22.381 1.764 2.948 644 2HB ALA 86 2HB ALA 86 23.514 3.016 3.484 645 3HB ALA 86 3HB ALA 86 23.633 1.369 4.148 646 H ALA 87 H ALA 87 20.962 2.109 7.244 647 HA ALA 87 HA ALA 87 19.915 -0.621 6.586 648 1HB ALA 87 1HB ALA 87 21.744 -0.567 8.194 649 2HB ALA 87 2HB ALA 87 20.853 0.581 9.219 650 3HB ALA 87 3HB ALA 87 20.228 -1.065 8.970 651 H CYS 88 H CYS 88 19.221 2.318 8.600 652 HA CYS 88 HA CYS 88 16.654 1.551 9.420 653 1HB CYS 88 2HB CYS 88 17.503 4.375 8.753 654 2HB CYS 88 3HB CYS 88 16.289 3.879 9.924 655 HG CYS 88 HG CYS 88 17.979 2.585 11.498 656 H ALA 89 H ALA 89 17.827 3.256 6.504 657 HA ALA 89 HA ALA 89 15.306 3.887 5.352 658 1HB ALA 89 1HB ALA 89 17.966 3.265 3.995 659 2HB ALA 89 2HB ALA 89 16.564 4.036 3.225 660 3HB ALA 89 3HB ALA 89 17.396 4.857 4.556 661 H ASN 90 H ASN 90 17.373 0.951 5.011 662 HA ASN 90 HA ASN 90 15.645 -0.280 3.106 663 1HB ASN 90 2HB ASN 90 17.853 -1.321 4.905 664 2HB ASN 90 3HB ASN 90 16.785 -2.451 4.071 665 1HD2 ASN 90 1HD2 ASN 90 19.593 -0.407 3.614 666 2HD2 ASN 90 2HD2 ASN 90 19.675 -0.675 1.895 667 H ARG 91 H ARG 91 15.849 -0.533 6.678 668 HA ARG 91 HA ARG 91 13.695 -2.429 6.834 669 1HB ARG 91 2HB ARG 91 15.226 -0.764 8.797 670 2HB ARG 91 3HB ARG 91 13.542 -1.023 9.220 671 1HG ARG 91 2HG ARG 91 14.205 -3.581 8.499 672 2HG ARG 91 3HG ARG 91 15.774 -3.015 9.070 673 1HD ARG 91 2HD ARG 91 14.912 -2.651 11.273 674 2HD ARG 91 3HD ARG 91 13.228 -2.607 10.689 675 HE ARG 91 HE ARG 91 14.369 -5.150 10.103 676 1HH1 ARG 91 2HH2 ARG 91 13.248 -3.288 12.866 677 2HH1 ARG 91 1HH2 ARG 91 12.473 -4.617 13.671 678 1HH2 ARG 91 2HH1 ARG 91 13.298 -6.949 11.098 679 2HH2 ARG 91 1HH1 ARG 91 12.529 -6.764 12.638 680 H ILE 92 H ILE 92 13.668 1.166 6.998 681 HA ILE 92 HA ILE 92 10.915 1.277 7.560 682 HB ILE 92 HB ILE 92 12.912 3.076 7.614 683 1HG1 ILE 92 2HG1 ILE 92 9.981 3.753 7.423 684 2HG1 ILE 92 3HG1 ILE 92 10.827 3.126 8.850 685 1HG2 ILE 92 1HG2 ILE 92 11.268 4.063 5.251 686 2HG2 ILE 92 2HG2 ILE 92 12.667 4.844 6.013 687 3HG2 ILE 92 3HG2 ILE 92 12.887 3.371 5.099 688 1HD1 ILE 92 1HD1 ILE 92 11.320 5.804 7.500 689 2HD1 ILE 92 2HD1 ILE 92 10.737 5.481 9.130 690 3HD1 ILE 92 3HD1 ILE 92 12.411 5.084 8.715 691 H GLU 93 H GLU 93 12.684 0.978 4.479 692 HA GLU 93 HA GLU 93 10.518 1.479 2.720 693 1HB GLU 93 2HB GLU 93 12.934 1.323 2.102 694 2HB GLU 93 3HB GLU 93 12.921 -0.410 2.404 695 1HG GLU 93 2HG GLU 93 10.771 0.515 0.597 696 2HG GLU 93 3HG GLU 93 12.407 0.821 0.013 697 H LYS 94 H LYS 94 11.872 -1.535 4.087 698 HA LYS 94 HA LYS 94 9.852 -3.231 3.023 699 1HB LYS 94 2HB LYS 94 11.728 -3.606 5.386 700 2HB LYS 94 3HB LYS 94 10.808 -4.914 4.643 701 1HG LYS 94 2HG LYS 94 12.758 -3.169 3.058 702 2HG LYS 94 3HG LYS 94 13.293 -4.590 3.936 703 1HD LYS 94 2HD LYS 94 11.168 -4.588 1.740 704 2HD LYS 94 3HD LYS 94 12.889 -4.839 1.476 705 1HE LYS 94 2HE LYS 94 12.822 -6.807 3.077 706 2HE LYS 94 3HE LYS 94 11.060 -6.631 3.156 707 1HZ LYS 94 1HZ LYS 94 12.626 -7.184 0.725 708 2HZ LYS 94 2HZ LYS 94 11.716 -8.272 1.555 709 3HZ LYS 94 3HZ LYS 94 10.991 -7.010 0.782 710 H ARG 95 H ARG 95 9.904 -1.321 5.971 711 HA ARG 95 HA ARG 95 7.451 -2.567 7.045 712 1HB ARG 95 2HB ARG 95 8.925 0.010 7.642 713 2HB ARG 95 3HB ARG 95 7.420 -0.423 8.442 714 1HG ARG 95 2HG ARG 95 9.819 -2.319 8.467 715 2HG ARG 95 3HG ARG 95 9.684 -0.936 9.543 716 1HD ARG 95 2HD ARG 95 8.825 -2.672 10.833 717 2HD ARG 95 3HD ARG 95 7.386 -1.808 10.252 718 HE ARG 95 HE ARG 95 8.110 -3.982 8.494 719 1HH1 ARG 95 2HH2 ARG 95 6.534 -3.261 11.567 720 2HH1 ARG 95 1HH2 ARG 95 5.692 -4.772 11.691 721 1HH2 ARG 95 2HH1 ARG 95 7.057 -6.056 8.659 722 2HH2 ARG 95 1HH1 ARG 95 6.017 -6.403 10.001 723 H LEU 96 H LEU 96 8.051 0.722 5.796 724 HA LEU 96 HA LEU 96 5.445 1.621 5.610 725 1HB LEU 96 2HB LEU 96 7.858 2.388 4.070 726 2HB LEU 96 3HB LEU 96 6.286 3.149 3.852 727 HG LEU 96 HG LEU 96 7.596 3.040 6.638 728 1HD1 LEU 96 1HD1 LEU 96 8.240 5.337 6.162 729 2HD1 LEU 96 2HD1 LEU 96 8.956 4.238 4.958 730 3HD1 LEU 96 3HD1 LEU 96 7.524 5.206 4.531 731 1HD2 LEU 96 1HD2 LEU 96 6.046 4.950 7.019 732 2HD2 LEU 96 2HD2 LEU 96 5.277 4.617 5.453 733 3HD2 LEU 96 3HD2 LEU 96 5.188 3.435 6.778 734 H ASN 97 H ASN 97 7.313 -0.239 3.234 735 HA ASN 97 HA ASN 97 6.033 -0.563 0.963 736 1HB ASN 97 2HB ASN 97 7.418 -2.374 2.766 737 2HB ASN 97 3HB ASN 97 6.077 -3.250 2.086 738 1HD2 ASN 97 1HD2 ASN 97 8.935 -1.339 1.244 739 2HD2 ASN 97 2HD2 ASN 97 9.271 -2.169 -0.243 740 H LYS 98 H LYS 98 4.679 -1.879 4.011 741 HA LYS 98 HA LYS 98 1.988 -1.834 2.848 742 1HB LYS 98 2HB LYS 98 1.498 -4.117 2.818 743 2HB LYS 98 3HB LYS 98 2.954 -3.897 1.884 744 1HG LYS 98 2HG LYS 98 3.955 -5.487 3.069 745 2HG LYS 98 3HG LYS 98 3.931 -4.429 4.474 746 1HD LYS 98 2HD LYS 98 1.317 -5.442 4.459 747 2HD LYS 98 3HD LYS 98 2.240 -6.780 3.794 748 1HE LYS 98 2HE LYS 98 3.197 -5.541 6.376 749 2HE LYS 98 3HE LYS 98 1.650 -6.380 6.400 750 1HZ LYS 98 1HZ LYS 98 2.662 -8.355 5.587 751 2HZ LYS 98 2HZ LYS 98 4.154 -7.650 5.539 752 3HZ LYS 98 3HZ LYS 98 3.378 -7.880 6.968 753 H ILE 99 H ILE 99 2.534 -0.262 4.838 754 HA ILE 99 HA ILE 99 2.263 -1.459 7.424 755 HB ILE 99 HB ILE 99 1.739 1.309 6.362 756 1HG1 ILE 99 2HG1 ILE 99 4.064 0.366 6.748 757 2HG1 ILE 99 3HG1 ILE 99 3.682 1.902 7.541 758 1HG2 ILE 99 1HG2 ILE 99 0.083 1.230 8.066 759 2HG2 ILE 99 2HG2 ILE 99 1.143 0.340 9.179 760 3HG2 ILE 99 3HG2 ILE 99 1.491 2.032 8.768 761 1HD1 ILE 99 1HD1 ILE 99 4.994 0.433 8.994 762 2HD1 ILE 99 2HD1 ILE 99 3.408 0.755 9.701 763 3HD1 ILE 99 3HD1 ILE 99 3.741 -0.814 8.934 764 H GLU 100 H GLU 100 -0.282 -0.210 5.216 765 HA GLU 100 HA GLU 100 -2.031 -2.334 6.132 766 1HB GLU 100 2HB GLU 100 -2.270 0.141 7.543 767 2HB GLU 100 3HB GLU 100 -3.603 0.145 6.392 768 1HG GLU 100 2HG GLU 100 -4.127 -2.237 7.190 769 2HG GLU 100 3HG GLU 100 -2.998 -1.909 8.523 770 H GLY 101 H GLY 101 -2.430 0.879 4.653 771 1HA GLY 101 2HA GLY 101 -3.452 -0.376 2.126 772 2HA GLY 101 3HA GLY 101 -4.082 1.124 2.847 773 H VAL 102 H VAL 102 -0.790 -0.140 2.384 774 HA VAL 102 HA VAL 102 -0.017 2.302 0.863 775 HB VAL 102 HB VAL 102 1.821 0.360 2.292 776 1HG1 VAL 102 1HG1 VAL 102 3.392 2.368 1.938 777 2HG1 VAL 102 2HG1 VAL 102 2.909 1.475 0.487 778 3HG1 VAL 102 3HG1 VAL 102 2.162 3.034 0.878 779 1HG2 VAL 102 1HG2 VAL 102 0.776 3.054 3.247 780 2HG2 VAL 102 2HG2 VAL 102 0.460 1.479 3.990 781 3HG2 VAL 102 3HG2 VAL 102 2.101 2.145 3.989 782 H ALA 103 H ALA 103 0.308 2.009 -1.260 783 HA ALA 103 HA ALA 103 0.201 -0.700 -2.374 784 1HB ALA 103 1HB ALA 103 0.481 2.036 -3.640 785 2HB ALA 103 2HB ALA 103 0.385 0.505 -4.538 786 3HB ALA 103 3HB ALA 103 -0.988 1.038 -3.557 787 H ASN 104 H ASN 104 2.484 2.073 -2.016 788 HA ASN 104 HA ASN 104 4.781 0.235 -2.268 789 1HB ASN 104 2HB ASN 104 4.487 2.581 -4.209 790 2HB ASN 104 3HB ASN 104 5.873 1.507 -4.043 791 1HD2 ASN 104 1HD2 ASN 104 2.529 1.767 -5.265 792 2HD2 ASN 104 2HD2 ASN 104 2.592 0.262 -6.138 793 H ALA 105 H ALA 105 6.809 1.377 -1.867 794 HA ALA 105 HA ALA 105 6.623 3.983 -0.550 795 1HB ALA 105 1HB ALA 105 5.784 2.512 1.229 796 2HB ALA 105 2HB ALA 105 7.301 1.583 1.160 797 3HB ALA 105 3HB ALA 105 7.318 3.288 1.657 798 HA PRO 106 HA PRO 106 10.838 2.694 -2.162 799 1HB PRO 106 2HB PRO 106 11.214 4.516 -4.179 800 2HB PRO 106 3HB PRO 106 10.375 2.951 -4.393 801 1HG PRO 106 2HG PRO 106 9.150 5.660 -3.905 802 2HG PRO 106 3HG PRO 106 8.677 4.467 -5.145 803 1HD PRO 106 2HD PRO 106 7.316 4.663 -2.790 804 2HD PRO 106 3HD PRO 106 7.636 3.075 -3.538 805 H VAL 107 H VAL 107 12.629 3.519 -1.273 806 HA VAL 107 HA VAL 107 12.552 6.184 0.025 807 HB VAL 107 HB VAL 107 14.265 5.340 1.507 808 1HG1 VAL 107 1HG1 VAL 107 12.943 3.695 2.744 809 2HG1 VAL 107 2HG1 VAL 107 11.901 4.969 2.107 810 3HG1 VAL 107 3HG1 VAL 107 11.929 3.384 1.323 811 1HG2 VAL 107 1HG2 VAL 107 15.475 3.756 0.067 812 2HG2 VAL 107 2HG2 VAL 107 14.923 2.957 1.542 813 3HG2 VAL 107 3HG2 VAL 107 14.062 2.681 0.020 814 H ASN 108 H ASN 108 14.296 7.619 -0.239 815 HA ASN 108 HA ASN 108 16.150 7.086 -2.535 816 1HB ASN 108 2HB ASN 108 15.011 9.688 -1.454 817 2HB ASN 108 3HB ASN 108 16.236 9.588 -2.711 818 1HD2 ASN 108 1HD2 ASN 108 15.640 8.866 -4.858 819 2HD2 ASN 108 2HD2 ASN 108 13.951 8.895 -5.324 820 H PHE 109 H PHE 109 18.233 7.128 -2.044 821 HA PHE 109 HA PHE 109 19.102 8.070 0.634 822 1HB PHE 109 2HB PHE 109 19.717 5.800 -0.856 823 2HB PHE 109 3HB PHE 109 21.083 6.852 -1.185 824 HD1 PHE 109 HD1 PHE 109 22.691 7.349 0.605 825 HD2 PHE 109 HD2 PHE 109 18.973 5.380 1.512 826 HE1 PHE 109 HE1 PHE 109 23.396 7.104 2.959 827 HE2 PHE 109 HE2 PHE 109 19.614 5.261 3.874 828 HZ PHE 109 HZ PHE 109 21.869 6.073 4.616 829 H ALA 110 H ALA 110 18.548 9.550 -2.165 830 HA ALA 110 HA ALA 110 21.092 11.008 -2.490 831 1HB ALA 110 1HB ALA 110 19.767 10.416 -4.474 832 2HB ALA 110 2HB ALA 110 18.387 11.352 -3.856 833 3HB ALA 110 3HB ALA 110 19.902 12.174 -4.287 834 H LEU 111 H LEU 111 17.709 11.688 -1.543 835 HA LEU 111 HA LEU 111 18.628 14.145 -0.096 836 1HB LEU 111 2HB LEU 111 15.841 14.304 -0.516 837 2HB LEU 111 3HB LEU 111 17.098 15.343 -1.136 838 HG LEU 111 HG LEU 111 16.242 12.800 -2.589 839 1HD1 LEU 111 1HD1 LEU 111 14.747 14.244 -3.923 840 2HD1 LEU 111 2HD1 LEU 111 14.241 14.132 -2.231 841 3HD1 LEU 111 3HD1 LEU 111 15.067 15.595 -2.811 842 1HD2 LEU 111 1HD2 LEU 111 18.400 14.002 -3.306 843 2HD2 LEU 111 2HD2 LEU 111 17.140 13.984 -4.550 844 3HD2 LEU 111 3HD2 LEU 111 17.426 15.448 -3.589 845 H GLU 112 H GLU 112 17.939 11.024 0.581 846 HA GLU 112 HA GLU 112 17.214 9.930 2.415 847 1HB GLU 112 2HB GLU 112 17.818 12.630 3.686 848 2HB GLU 112 3HB GLU 112 17.527 11.153 4.578 849 1HG GLU 112 2HG GLU 112 19.448 10.048 3.580 850 2HG GLU 112 3HG GLU 112 19.684 11.356 2.413 851 H THR 113 H THR 113 15.243 10.557 0.750 852 HA THR 113 HA THR 113 12.918 11.373 2.427 853 HB THR 113 HB THR 113 11.844 11.864 0.167 854 HG1 THR 113 1HG THR 113 13.186 10.802 -1.234 855 1HG2 THR 113 1HG2 THR 113 13.023 14.018 -0.152 856 2HG2 THR 113 2HG2 THR 113 12.691 13.700 1.556 857 3HG2 THR 113 3HG2 THR 113 14.323 13.451 0.917 858 H VAL 114 H VAL 114 10.903 10.286 1.920 859 HA VAL 114 HA VAL 114 11.134 7.728 0.479 860 HB VAL 114 HB VAL 114 11.204 7.003 2.769 861 1HG1 VAL 114 1HG1 VAL 114 8.583 8.411 3.338 862 2HG1 VAL 114 2HG1 VAL 114 9.594 7.494 4.460 863 3HG1 VAL 114 3HG1 VAL 114 10.160 9.056 3.849 864 1HG2 VAL 114 1HG2 VAL 114 9.793 5.736 1.132 865 2HG2 VAL 114 2HG2 VAL 114 9.331 5.519 2.824 866 3HG2 VAL 114 3HG2 VAL 114 8.368 6.574 1.778 867 H THR 115 H THR 115 9.614 7.556 -1.036 868 HA THR 115 HA THR 115 7.307 9.458 -0.990 869 HB THR 115 HB THR 115 8.106 7.363 -3.031 870 HG1 THR 115 1HG THR 115 8.557 10.161 -2.941 871 1HG2 THR 115 1HG2 THR 115 6.540 8.594 -4.494 872 2HG2 THR 115 2HG2 THR 115 5.708 7.902 -3.089 873 3HG2 THR 115 3HG2 THR 115 6.080 9.641 -3.131 874 H VAL 116 H VAL 116 5.479 8.696 0.029 875 HA VAL 116 HA VAL 116 5.228 5.742 0.456 876 HB VAL 116 HB VAL 116 5.503 6.954 2.532 877 1HG1 VAL 116 1HG1 VAL 116 3.872 8.482 3.416 878 2HG1 VAL 116 2HG1 VAL 116 4.485 9.117 1.893 879 3HG1 VAL 116 3HG1 VAL 116 2.881 8.380 1.957 880 1HG2 VAL 116 1HG2 VAL 116 2.729 5.794 2.121 881 2HG2 VAL 116 2HG2 VAL 116 4.210 4.889 2.492 882 3HG2 VAL 116 3HG2 VAL 116 3.538 6.019 3.682 883 H GLU 117 H GLU 117 3.871 4.871 -0.942 884 HA GLU 117 HA GLU 117 1.954 6.589 -2.412 885 1HB GLU 117 2HB GLU 117 3.949 5.199 -3.450 886 2HB GLU 117 3HB GLU 117 2.857 3.826 -3.242 887 1HG GLU 117 2HG GLU 117 2.194 6.365 -4.771 888 2HG GLU 117 3HG GLU 117 2.803 4.878 -5.509 889 H TYR 118 H TYR 118 0.162 6.546 -1.023 890 HA TYR 118 HA TYR 118 -0.922 3.896 -0.291 891 1HB TYR 118 2HB TYR 118 -0.769 4.132 2.017 892 2HB TYR 118 3HB TYR 118 0.807 4.707 1.498 893 HD1 TYR 118 HD1 TYR 118 -2.144 5.385 3.414 894 HD2 TYR 118 HD2 TYR 118 0.988 7.349 1.210 895 HE1 TYR 118 HE1 TYR 118 -2.596 7.473 4.636 896 HE2 TYR 118 HE2 TYR 118 0.600 9.428 2.523 897 HH TYR 118 HH TYR 118 -2.237 9.785 4.582 898 H ASN 119 H ASN 119 -2.866 4.130 1.121 899 HA ASN 119 HA ASN 119 -4.674 5.906 -0.328 900 1HB ASN 119 2HB ASN 119 -4.853 3.366 -0.042 901 2HB ASN 119 3HB ASN 119 -5.467 3.698 1.579 902 1HD2 ASN 119 1HD2 ASN 119 -6.289 3.327 -1.664 903 2HD2 ASN 119 2HD2 ASN 119 -7.801 4.206 -1.693 904 HA PRO 120 HA PRO 120 -4.483 8.367 3.484 905 1HB PRO 120 2HB PRO 120 -5.396 10.751 2.595 906 2HB PRO 120 3HB PRO 120 -3.831 10.076 2.059 907 1HG PRO 120 2HG PRO 120 -6.498 9.870 0.625 908 2HG PRO 120 3HG PRO 120 -4.945 10.453 -0.046 909 1HD PRO 120 2HD PRO 120 -5.780 7.887 -0.355 910 2HD PRO 120 3HD PRO 120 -4.051 8.275 -0.104 911 H LYS 121 H LYS 121 -7.193 6.942 2.217 912 HA LYS 121 HA LYS 121 -9.153 8.207 4.126 913 1HB LYS 121 2HB LYS 121 -10.766 7.669 2.808 914 2HB LYS 121 3HB LYS 121 -9.521 7.668 1.577 915 1HG LYS 121 2HG LYS 121 -10.640 5.743 1.147 916 2HG LYS 121 3HG LYS 121 -9.302 5.108 2.082 917 1HD LYS 121 2HD LYS 121 -10.753 5.057 4.118 918 2HD LYS 121 3HD LYS 121 -12.049 5.797 3.191 919 1HE LYS 121 2HE LYS 121 -12.144 3.785 1.692 920 2HE LYS 121 3HE LYS 121 -10.629 3.209 2.361 921 1HZ LYS 121 1HZ LYS 121 -12.478 1.966 3.109 922 2HZ LYS 121 2HZ LYS 121 -11.657 2.646 4.332 923 3HZ LYS 121 3HZ LYS 121 -13.144 3.277 3.875 924 H GLU 122 H GLU 122 -7.464 5.208 3.290 925 HA GLU 122 HA GLU 122 -8.604 3.782 5.525 926 1HB GLU 122 2HB GLU 122 -7.471 3.047 3.118 927 2HB GLU 122 3HB GLU 122 -6.144 2.704 4.243 928 1HG GLU 122 2HG GLU 122 -7.435 0.720 3.965 929 2HG GLU 122 3HG GLU 122 -7.824 1.291 5.574 930 H ALA 123 H ALA 123 -5.459 5.434 4.912 931 HA ALA 123 HA ALA 123 -4.911 5.300 7.854 932 1HB ALA 123 1HB ALA 123 -2.535 4.925 7.390 933 2HB ALA 123 2HB ALA 123 -3.505 3.603 6.724 934 3HB ALA 123 3HB ALA 123 -2.864 4.860 5.645 935 H SER 124 H SER 124 -2.899 6.987 8.198 936 HA SER 124 HA SER 124 -2.975 9.300 6.441 937 1HB SER 124 2HB SER 124 -4.360 9.369 9.147 938 2HB SER 124 3HB SER 124 -3.757 10.826 8.349 939 HG SER 124 HG SER 124 -5.390 9.139 6.827 940 H VAL 125 H VAL 125 -1.388 10.882 7.084 941 HA VAL 125 HA VAL 125 1.000 10.217 7.783 942 HB VAL 125 HB VAL 125 -0.193 12.788 8.931 943 1HG1 VAL 125 1HG1 VAL 125 2.535 11.854 8.052 944 2HG1 VAL 125 2HG1 VAL 125 2.138 13.585 8.173 945 3HG1 VAL 125 3HG1 VAL 125 2.054 12.556 9.599 946 1HG2 VAL 125 1HG2 VAL 125 -1.049 12.822 6.737 947 2HG2 VAL 125 2HG2 VAL 125 0.470 13.701 6.595 948 3HG2 VAL 125 3HG2 VAL 125 0.367 12.007 6.056 949 H SER 126 H SER 126 -1.365 10.960 10.435 950 HA SER 126 HA SER 126 0.414 10.795 12.572 951 1HB SER 126 2HB SER 126 -2.453 9.747 12.517 952 2HB SER 126 3HB SER 126 -1.556 10.375 13.913 953 HG SER 126 HG SER 126 -2.575 12.170 13.204 954 H ASP 127 H ASP 127 -1.105 8.111 10.752 955 HA ASP 127 HA ASP 127 -0.291 5.987 12.540 956 1HB ASP 127 2HB ASP 127 -2.077 5.505 11.031 957 2HB ASP 127 3HB ASP 127 -1.156 6.081 9.628 958 H LEU 128 H LEU 128 1.056 7.608 9.687 959 HA LEU 128 HA LEU 128 3.314 5.870 9.303 960 1HB LEU 128 2HB LEU 128 3.045 8.824 8.583 961 2HB LEU 128 3HB LEU 128 4.264 7.712 8.010 962 HG LEU 128 HG LEU 128 1.273 7.544 7.421 963 1HD1 LEU 128 1HD1 LEU 128 2.555 9.318 6.230 964 2HD1 LEU 128 2HD1 LEU 128 3.728 8.094 5.709 965 3HD1 LEU 128 3HD1 LEU 128 2.048 8.028 5.121 966 1HD2 LEU 128 1HD2 LEU 128 2.023 5.712 5.822 967 2HD2 LEU 128 2HD2 LEU 128 3.594 5.724 6.653 968 3HD2 LEU 128 3HD2 LEU 128 2.114 5.254 7.525 969 H LYS 129 H LYS 129 2.932 8.975 10.995 970 HA LYS 129 HA LYS 129 5.579 9.093 12.063 971 1HB LYS 129 2HB LYS 129 2.941 10.301 12.993 972 2HB LYS 129 3HB LYS 129 4.502 10.658 13.746 973 1HG LYS 129 2HG LYS 129 5.314 11.127 11.288 974 2HG LYS 129 3HG LYS 129 3.611 11.252 10.892 975 1HD LYS 129 2HD LYS 129 5.177 12.964 12.900 976 2HD LYS 129 3HD LYS 129 4.786 13.387 11.238 977 1HE LYS 129 2HE LYS 129 3.234 14.576 12.492 978 2HE LYS 129 3HE LYS 129 2.330 13.234 11.791 979 1HZ LYS 129 1HZ LYS 129 1.773 13.516 14.093 980 2HZ LYS 129 2HZ LYS 129 2.563 12.083 13.925 981 3HZ LYS 129 3HZ LYS 129 3.343 13.380 14.563 982 H GLU 130 H GLU 130 2.556 7.777 13.565 983 HA GLU 130 HA GLU 130 3.854 6.865 15.906 984 1HB GLU 130 2HB GLU 130 1.284 6.105 14.494 985 2HB GLU 130 3HB GLU 130 1.829 5.182 15.885 986 1HG GLU 130 2HG GLU 130 2.027 7.305 17.214 987 2HG GLU 130 3HG GLU 130 1.348 8.192 15.837 988 H ALA 131 H ALA 131 3.509 5.224 12.754 989 HA ALA 131 HA ALA 131 4.562 2.705 13.595 990 1HB ALA 131 1HB ALA 131 4.904 2.320 11.182 991 2HB ALA 131 2HB ALA 131 3.295 2.993 11.515 992 3HB ALA 131 3HB ALA 131 4.570 4.030 10.848 993 H VAL 132 H VAL 132 6.155 5.553 11.987 994 HA VAL 132 HA VAL 132 8.707 4.288 12.002 995 HB VAL 132 HB VAL 132 7.848 7.165 11.542 996 1HG1 VAL 132 1HG1 VAL 132 10.204 7.329 10.566 997 2HG1 VAL 132 2HG1 VAL 132 10.125 7.229 12.316 998 3HG1 VAL 132 3HG1 VAL 132 10.539 5.780 11.367 999 1HG2 VAL 132 1HG2 VAL 132 7.047 5.661 9.801 1000 2HG2 VAL 132 2HG2 VAL 132 8.518 6.399 9.162 1001 3HG2 VAL 132 3HG2 VAL 132 8.565 4.755 9.789 1002 H ASP 133 H ASP 133 7.035 6.435 14.319 1003 HA ASP 133 HA ASP 133 9.140 6.867 16.059 1004 1HB ASP 133 2HB ASP 133 6.130 6.523 16.404 1005 2HB ASP 133 3HB ASP 133 7.181 6.754 17.790 1006 H LYS 134 H LYS 134 7.118 4.014 15.470 1007 HA LYS 134 HA LYS 134 8.043 2.533 17.807 1008 1HB LYS 134 2HB LYS 134 5.961 2.221 15.827 1009 2HB LYS 134 3HB LYS 134 7.041 0.857 15.664 1010 1HG LYS 134 2HG LYS 134 5.797 -0.067 17.226 1011 2HG LYS 134 3HG LYS 134 6.739 0.832 18.395 1012 1HD LYS 134 2HD LYS 134 4.079 1.751 17.138 1013 2HD LYS 134 3HD LYS 134 4.217 0.853 18.640 1014 1HE LYS 134 2HE LYS 134 3.835 3.141 19.180 1015 2HE LYS 134 3HE LYS 134 5.464 2.698 19.710 1016 1HZ LYS 134 1HZ LYS 134 4.900 4.128 17.174 1017 2HZ LYS 134 2HZ LYS 134 5.269 4.883 18.584 1018 3HZ LYS 134 3HZ LYS 134 6.348 3.875 17.875 1019 H LEU 135 H LEU 135 8.862 2.649 14.320 1020 HA LEU 135 HA LEU 135 11.013 0.728 14.488 1021 1HB LEU 135 2HB LEU 135 10.318 2.971 12.591 1022 2HB LEU 135 3HB LEU 135 11.924 2.287 12.527 1023 HG LEU 135 HG LEU 135 10.300 1.323 10.898 1024 1HD1 LEU 135 1HD1 LEU 135 12.390 0.214 11.403 1025 2HD1 LEU 135 2HD1 LEU 135 11.696 -0.580 12.830 1026 3HD1 LEU 135 3HD1 LEU 135 11.124 -1.004 11.214 1027 1HD2 LEU 135 1HD2 LEU 135 8.694 -0.340 11.622 1028 2HD2 LEU 135 2HD2 LEU 135 9.132 -0.118 13.320 1029 3HD2 LEU 135 3HD2 LEU 135 8.338 1.193 12.415 1030 H GLY 136 H GLY 136 10.781 4.091 15.447 1031 1HA GLY 136 2HA GLY 136 12.059 4.979 17.202 1032 2HA GLY 136 3HA GLY 136 13.331 3.777 16.938 1033 H TYR 137 H TYR 137 11.697 5.864 14.529 1034 HA TYR 137 HA TYR 137 14.129 7.558 14.253 1035 1HB TYR 137 2HB TYR 137 12.509 6.456 11.938 1036 2HB TYR 137 3HB TYR 137 13.903 7.489 11.814 1037 HD1 TYR 137 HD1 TYR 137 16.005 6.346 13.373 1038 HD2 TYR 137 HD2 TYR 137 12.872 4.253 11.270 1039 HE1 TYR 137 HE1 TYR 137 17.210 4.216 13.688 1040 HE2 TYR 137 HE2 TYR 137 14.127 2.137 11.521 1041 HH TYR 137 HH TYR 137 15.853 1.094 12.735 1042 H LYS 138 H LYS 138 13.295 9.522 12.655 1043 HA LYS 138 HA LYS 138 10.558 10.275 13.529 1044 1HB LYS 138 2HB LYS 138 11.520 12.631 13.533 1045 2HB LYS 138 3HB LYS 138 11.950 11.595 14.911 1046 1HG LYS 138 2HG LYS 138 14.122 11.106 13.971 1047 2HG LYS 138 3HG LYS 138 13.698 11.895 12.481 1048 1HD LYS 138 2HD LYS 138 13.761 14.042 13.391 1049 2HD LYS 138 3HD LYS 138 13.455 13.477 15.023 1050 1HE LYS 138 2HE LYS 138 15.701 12.673 15.337 1051 2HE LYS 138 3HE LYS 138 16.140 12.995 13.667 1052 1HZ LYS 138 1HZ LYS 138 15.446 15.101 15.557 1053 2HZ LYS 138 2HZ LYS 138 16.949 14.715 14.999 1054 3HZ LYS 138 3HZ LYS 138 15.831 15.286 13.962 1055 H LEU 139 H LEU 139 9.394 11.218 11.932 1056 HA LEU 139 HA LEU 139 10.537 10.980 9.238 1057 1HB LEU 139 2HB LEU 139 8.855 9.198 10.419 1058 2HB LEU 139 3HB LEU 139 7.628 10.333 9.910 1059 HG LEU 139 HG LEU 139 7.955 8.357 8.479 1060 1HD1 LEU 139 1HD1 LEU 139 6.894 10.251 7.543 1061 2HD1 LEU 139 2HD1 LEU 139 8.472 10.960 7.079 1062 3HD1 LEU 139 3HD1 LEU 139 7.897 9.447 6.320 1063 1HD2 LEU 139 1HD2 LEU 139 10.529 9.588 7.452 1064 2HD2 LEU 139 2HD2 LEU 139 10.511 8.267 8.634 1065 3HD2 LEU 139 3HD2 LEU 139 9.804 8.026 7.029 1066 H LYS 140 H LYS 140 9.905 12.666 7.811 1067 HA LYS 140 HA LYS 140 8.445 14.998 9.019 1068 1HB LYS 140 2HB LYS 140 11.037 14.681 7.502 1069 2HB LYS 140 3HB LYS 140 10.164 16.202 7.405 1070 1HG LYS 140 2HG LYS 140 10.798 15.092 10.148 1071 2HG LYS 140 3HG LYS 140 12.124 15.696 9.149 1072 1HD LYS 140 2HD LYS 140 10.852 17.837 8.780 1073 2HD LYS 140 3HD LYS 140 9.649 17.279 9.972 1074 1HE LYS 140 2HE LYS 140 11.512 17.091 11.665 1075 2HE LYS 140 3HE LYS 140 12.657 17.645 10.425 1076 1HZ LYS 140 1HZ LYS 140 11.579 19.721 10.340 1077 2HZ LYS 140 2HZ LYS 140 10.439 19.263 11.445 1078 3HZ LYS 140 3HZ LYS 140 12.023 19.384 11.886 1079 H LEU 141 H LEU 141 7.360 16.311 7.356 1080 HA LEU 141 HA LEU 141 6.518 14.755 4.985 1081 1HB LEU 141 2HB LEU 141 5.564 17.493 5.880 1082 2HB LEU 141 3HB LEU 141 4.825 16.338 4.765 1083 HG LEU 141 HG LEU 141 4.870 14.777 6.982 1084 1HD1 LEU 141 1HD1 LEU 141 5.845 16.467 8.532 1085 2HD1 LEU 141 2HD1 LEU 141 4.569 17.612 8.076 1086 3HD1 LEU 141 3HD1 LEU 141 4.173 16.122 8.950 1087 1HD2 LEU 141 1HD2 LEU 141 2.501 15.605 7.363 1088 2HD2 LEU 141 2HD2 LEU 141 2.882 16.927 6.264 1089 3HD2 LEU 141 3HD2 LEU 141 2.882 15.257 5.661 1090 H LYS 142 H LYS 142 7.020 15.502 2.815 1091 HA LYS 142 HA LYS 142 9.217 17.490 2.663 1092 1HB LYS 142 2HB LYS 142 7.989 15.535 0.773 1093 2HB LYS 142 3HB LYS 142 8.422 17.074 0.081 1094 1HG LYS 142 2HG LYS 142 10.729 16.484 1.510 1095 2HG LYS 142 3HG LYS 142 10.201 14.895 0.966 1096 1HD LYS 142 2HD LYS 142 10.413 17.372 -0.820 1097 2HD LYS 142 3HD LYS 142 11.729 16.185 -0.627 1098 1HE LYS 142 2HE LYS 142 10.340 14.420 -1.571 1099 2HE LYS 142 3HE LYS 142 8.938 15.526 -1.588 1100 1HZ LYS 142 1HZ LYS 142 9.782 16.701 -3.322 1101 2HZ LYS 142 2HZ LYS 142 11.292 15.980 -3.267 1102 3HZ LYS 142 3HZ LYS 142 9.936 15.130 -3.687 1103 H GLY 143 H GLY 143 8.032 19.149 3.708 1104 1HA GLY 143 2HA GLY 143 7.377 21.352 3.354 1105 2HA GLY 143 3HA GLY 143 6.996 20.984 1.669 1106 H GLU 144 H GLU 144 5.089 19.113 1.727 1107 HA GLU 144 HA GLU 144 2.864 18.763 1.909 1108 1HB GLU 144 2HB GLU 144 3.733 18.380 4.373 1109 2HB GLU 144 3HB GLU 144 2.916 19.905 4.706 1110 1HG GLU 144 2HG GLU 144 0.912 18.597 3.381 1111 2HG GLU 144 3HG GLU 144 1.801 17.199 3.995 1112 H GLN 145 H GLN 145 3.678 21.324 0.828 1113 HA GLN 145 HA GLN 145 1.277 22.886 0.930 1114 1HB GLN 145 2HB GLN 145 3.290 23.377 3.040 1115 2HB GLN 145 3HB GLN 145 3.024 24.818 2.070 1116 1HG GLN 145 2HG GLN 145 0.819 25.050 2.679 1117 2HG GLN 145 3HG GLN 145 0.572 23.349 3.027 1118 1HE2 GLN 145 1HE2 GLN 145 0.366 22.873 5.163 1119 2HE2 GLN 145 2HE2 GLN 145 1.106 23.801 6.458 1120 H ASP 146 H ASP 146 4.804 23.122 0.578 1121 HA ASP 146 HA ASP 146 6.149 23.941 -1.021 1122 1HB ASP 146 2HB ASP 146 4.927 22.401 -2.531 1123 2HB ASP 146 3HB ASP 146 3.805 23.710 -2.955 1124 H SER 147 H SER 147 5.428 25.557 0.685 1125 HA SER 147 HA SER 147 5.184 27.672 1.369 1126 1HB SER 147 2HB SER 147 5.648 28.448 -1.544 1127 2HB SER 147 3HB SER 147 5.875 29.479 -0.124 1128 HG SER 147 HG SER 147 7.447 27.893 0.597 1129 H ILE 148 H ILE 148 2.722 26.226 0.074 1130 HA ILE 148 HA ILE 148 1.030 28.565 -0.502 1131 HB ILE 148 HB ILE 148 0.318 25.651 -0.160 1132 1HG1 ILE 148 2HG1 ILE 148 1.763 26.232 -2.165 1133 2HG1 ILE 148 3HG1 ILE 148 0.188 25.547 -2.544 1134 1HG2 ILE 148 1HG2 ILE 148 -1.800 26.358 -1.395 1135 2HG2 ILE 148 2HG2 ILE 148 -1.721 26.812 0.298 1136 3HG2 ILE 148 3HG2 ILE 148 -1.399 28.031 -0.946 1137 1HD1 ILE 148 1HD1 ILE 148 0.791 27.365 -4.058 1138 2HD1 ILE 148 2HD1 ILE 148 -0.652 27.806 -3.140 1139 3HD1 ILE 148 3HD1 ILE 148 0.930 28.504 -2.716 1140 H GLU 149 H GLU 149 1.806 29.630 1.442 1141 HA GLU 149 HA GLU 149 -0.286 29.297 3.566 1142 1HB GLU 149 2HB GLU 149 2.492 30.550 3.747 1143 2HB GLU 149 3HB GLU 149 1.208 30.798 4.941 1144 1HG GLU 149 2HG GLU 149 1.116 28.366 5.384 1145 2HG GLU 149 3HG GLU 149 2.412 28.093 4.207 1146 H GLY 150 H GLY 150 -1.759 30.958 3.540 1147 1HA GLY 150 2HA GLY 150 -1.297 33.238 1.623 1148 2HA GLY 150 3HA GLY 150 -2.819 32.360 1.793 1149 H ARG 151 H ARG 151 -3.786 32.340 4.064 1150 HA ARG 151 HA ARG 151 -2.862 34.184 6.006 1151 1HB ARG 151 2HB ARG 151 -5.739 34.387 4.964 1152 2HB ARG 151 3HB ARG 151 -5.125 35.054 6.475 1153 1HG ARG 151 2HG ARG 151 -4.848 36.978 5.348 1154 2HG ARG 151 3HG ARG 151 -3.372 36.234 4.753 1155 1HD ARG 151 2HD ARG 151 -4.544 37.116 2.864 1156 2HD ARG 151 3HD ARG 151 -4.729 35.346 2.787 1157 HE ARG 151 HE ARG 151 -6.905 36.384 4.266 1158 1HH1 ARG 151 2HH2 ARG 151 -5.696 36.425 0.970 1159 2HH1 ARG 151 1HH2 ARG 151 -7.227 36.750 0.214 1160 1HH2 ARG 151 2HH1 ARG 151 -8.974 36.847 3.328 1161 2HH2 ARG 151 1HH1 ARG 151 -9.148 36.989 1.610 Start of MODEL 2 1 1H MET 1 H1 MET 1 -2.352 -27.788 5.681 2 2H MET 1 H2 MET 1 -3.773 -27.830 4.879 3 3H MET 1 H3 MET 1 -2.435 -27.129 4.171 4 HA MET 1 HA MET 1 -3.633 -25.305 4.891 5 1HB MET 1 2HB MET 1 -4.443 -25.316 7.366 6 2HB MET 1 3HB MET 1 -5.408 -26.099 6.117 7 1HG MET 1 2HG MET 1 -3.449 -27.660 7.830 8 2HG MET 1 3HG MET 1 -5.120 -27.383 8.307 9 1HE MET 1 1HE MET 1 -3.231 -30.174 7.481 10 2HE MET 1 2HE MET 1 -4.707 -30.202 8.479 11 3HE MET 1 3HE MET 1 -4.605 -31.199 7.010 12 H LEU 2 H LEU 2 -1.578 -24.286 4.688 13 HA LEU 2 HA LEU 2 -0.446 -23.382 7.105 14 1HB LEU 2 2HB LEU 2 0.665 -25.820 6.517 15 2HB LEU 2 3HB LEU 2 1.625 -24.829 5.439 16 HG LEU 2 HG LEU 2 2.789 -25.167 7.490 17 1HD1 LEU 2 1HD1 LEU 2 1.766 -22.309 7.673 18 2HD1 LEU 2 2HD1 LEU 2 3.324 -22.946 8.202 19 3HD1 LEU 2 3HD1 LEU 2 2.954 -22.871 6.471 20 1HD2 LEU 2 1HD2 LEU 2 0.828 -25.687 8.927 21 2HD2 LEU 2 2HD2 LEU 2 1.981 -24.579 9.691 22 3HD2 LEU 2 3HD2 LEU 2 0.460 -23.955 9.041 23 H SER 3 H SER 3 0.241 -21.294 6.569 24 HA SER 3 HA SER 3 1.352 -20.422 4.097 25 1HB SER 3 2HB SER 3 -1.659 -20.121 4.590 26 2HB SER 3 3HB SER 3 -0.741 -19.033 3.556 27 HG SER 3 HG SER 3 -0.404 -21.704 2.985 28 H GLU 4 H GLU 4 1.385 -17.915 4.238 29 HA GLU 4 HA GLU 4 0.847 -16.733 6.860 30 1HB GLU 4 2HB GLU 4 3.592 -17.473 5.913 31 2HB GLU 4 3HB GLU 4 3.433 -15.821 6.505 32 1HG GLU 4 2HG GLU 4 2.408 -18.117 8.186 33 2HG GLU 4 3HG GLU 4 4.098 -17.596 8.209 34 H GLN 5 H GLN 5 -0.681 -16.119 5.058 35 HA GLN 5 HA GLN 5 0.337 -14.330 3.001 36 1HB GLN 5 2HB GLN 5 -2.566 -14.872 3.646 37 2HB GLN 5 3HB GLN 5 -1.852 -14.464 2.088 38 1HG GLN 5 2HG GLN 5 -1.792 -17.081 3.603 39 2HG GLN 5 3HG GLN 5 -2.474 -16.743 2.034 40 1HE2 GLN 5 1HE2 GLN 5 -1.231 -17.255 0.192 41 2HE2 GLN 5 2HE2 GLN 5 0.516 -17.647 0.341 42 H LYS 6 H LYS 6 -0.631 -12.130 2.687 43 HA LYS 6 HA LYS 6 -1.254 -10.836 5.348 44 1HB LYS 6 2HB LYS 6 -0.228 -8.844 4.566 45 2HB LYS 6 3HB LYS 6 0.888 -10.214 4.807 46 1HG LYS 6 2HG LYS 6 1.151 -10.534 2.432 47 2HG LYS 6 3HG LYS 6 -0.190 -9.452 2.048 48 1HD LYS 6 2HD LYS 6 1.947 -8.349 1.692 49 2HD LYS 6 3HD LYS 6 0.947 -7.521 2.894 50 1HE LYS 6 2HE LYS 6 2.941 -9.598 3.833 51 2HE LYS 6 3HE LYS 6 3.577 -8.043 3.312 52 1HZ LYS 6 1HZ LYS 6 2.187 -6.931 4.940 53 2HZ LYS 6 2HZ LYS 6 1.569 -8.364 5.440 54 3HZ LYS 6 3HZ LYS 6 3.153 -8.039 5.671 55 H GLU 7 H GLU 7 -2.980 -9.626 5.520 56 HA GLU 7 HA GLU 7 -4.791 -9.240 3.260 57 1HB GLU 7 2HB GLU 7 -5.510 -9.854 5.631 58 2HB GLU 7 3HB GLU 7 -5.061 -8.206 6.107 59 1HG GLU 7 2HG GLU 7 -6.693 -7.257 4.565 60 2HG GLU 7 3HG GLU 7 -7.064 -8.858 3.902 61 H ILE 8 H ILE 8 -4.508 -7.512 1.992 62 HA ILE 8 HA ILE 8 -3.495 -4.923 3.184 63 HB ILE 8 HB ILE 8 -2.033 -5.512 1.430 64 1HG1 ILE 8 2HG1 ILE 8 -3.983 -3.532 0.207 65 2HG1 ILE 8 3HG1 ILE 8 -2.825 -3.155 1.503 66 1HG2 ILE 8 1HG2 ILE 8 -3.170 -7.223 0.297 67 2HG2 ILE 8 2HG2 ILE 8 -4.473 -6.158 -0.276 68 3HG2 ILE 8 3HG2 ILE 8 -2.849 -5.942 -0.888 69 1HD1 ILE 8 1HD1 ILE 8 -2.183 -3.980 -1.363 70 2HD1 ILE 8 2HD1 ILE 8 -1.744 -2.503 -0.514 71 3HD1 ILE 8 3HD1 ILE 8 -0.982 -4.022 -0.048 72 H ALA 9 H ALA 9 -5.273 -3.824 3.923 73 HA ALA 9 HA ALA 9 -7.803 -3.981 2.406 74 1HB ALA 9 1HB ALA 9 -7.133 -2.756 5.117 75 2HB ALA 9 2HB ALA 9 -8.745 -2.875 4.382 76 3HB ALA 9 3HB ALA 9 -7.872 -4.349 4.857 77 H MET 10 H MET 10 -8.182 -2.355 0.956 78 HA MET 10 HA MET 10 -7.116 0.366 1.453 79 1HB MET 10 2HB MET 10 -6.407 -1.290 -0.985 80 2HB MET 10 3HB MET 10 -6.351 0.472 -0.955 81 1HG MET 10 2HG MET 10 -4.824 0.317 1.084 82 2HG MET 10 3HG MET 10 -4.784 -1.428 0.840 83 1HE MET 10 1HE MET 10 -3.753 2.040 -0.366 84 2HE MET 10 2HE MET 10 -2.818 1.705 -1.836 85 3HE MET 10 3HE MET 10 -4.581 1.514 -1.856 86 H GLN 11 H GLN 11 -8.194 1.993 0.046 87 HA GLN 11 HA GLN 11 -10.923 1.148 -0.780 88 1HB GLN 11 2HB GLN 11 -9.690 3.850 -0.209 89 2HB GLN 11 3HB GLN 11 -11.249 3.652 -1.028 90 1HG GLN 11 2HG GLN 11 -12.168 2.402 0.841 91 2HG GLN 11 3HG GLN 11 -10.614 2.410 1.661 92 1HE2 GLN 11 1HE2 GLN 11 -10.943 3.616 3.442 93 2HE2 GLN 11 2HE2 GLN 11 -11.746 5.190 3.464 94 H VAL 12 H VAL 12 -11.761 1.565 -2.811 95 HA VAL 12 HA VAL 12 -9.949 2.223 -5.002 96 HB VAL 12 HB VAL 12 -9.575 -0.154 -4.520 97 1HG1 VAL 12 1HG1 VAL 12 -11.381 -1.786 -4.588 98 2HG1 VAL 12 2HG1 VAL 12 -11.683 -0.651 -3.269 99 3HG1 VAL 12 3HG1 VAL 12 -12.597 -0.506 -4.770 100 1HG2 VAL 12 1HG2 VAL 12 -11.407 0.185 -6.909 101 2HG2 VAL 12 2HG2 VAL 12 -9.663 0.539 -6.866 102 3HG2 VAL 12 3HG2 VAL 12 -10.238 -1.128 -6.657 103 H SER 13 H SER 13 -11.074 2.875 -6.829 104 HA SER 13 HA SER 13 -13.949 3.553 -6.365 105 1HB SER 13 2HB SER 13 -11.951 4.732 -8.298 106 2HB SER 13 3HB SER 13 -13.546 5.367 -7.868 107 HG SER 13 HG SER 13 -12.601 5.420 -5.622 108 H GLY 14 H GLY 14 -15.157 3.819 -8.484 109 1HA GLY 14 2HA GLY 14 -15.749 3.150 -10.624 110 2HA GLY 14 3HA GLY 14 -14.367 2.061 -10.719 111 H MET 15 H MET 15 -15.384 1.225 -7.793 112 HA MET 15 HA MET 15 -16.798 -1.130 -8.523 113 1HB MET 15 2HB MET 15 -16.219 0.356 -5.965 114 2HB MET 15 3HB MET 15 -17.463 -0.898 -5.949 115 1HG MET 15 2HG MET 15 -15.374 -1.795 -5.292 116 2HG MET 15 3HG MET 15 -15.970 -2.565 -6.772 117 1HE MET 15 1HE MET 15 -13.587 -3.797 -6.754 118 2HE MET 15 2HE MET 15 -12.064 -2.884 -6.618 119 3HE MET 15 3HE MET 15 -13.250 -2.861 -5.298 120 H THR 16 H THR 16 -18.605 -0.715 -9.828 121 HA THR 16 HA THR 16 -20.728 1.011 -9.000 122 HB THR 16 HB THR 16 -21.103 -1.279 -10.942 123 HG1 THR 16 1HG THR 16 -20.115 0.218 -12.479 124 1HG2 THR 16 1HG2 THR 16 -22.375 0.453 -12.181 125 2HG2 THR 16 2HG2 THR 16 -22.996 0.297 -10.533 126 3HG2 THR 16 3HG2 THR 16 -21.943 1.662 -10.956 127 H CYS 17 H CYS 17 -19.768 -2.082 -7.907 128 HA CYS 17 HA CYS 17 -20.545 -3.261 -6.138 129 1HB CYS 17 2HB CYS 17 -22.765 -1.166 -5.900 130 2HB CYS 17 3HB CYS 17 -22.424 -2.454 -4.765 131 HG CYS 17 HG CYS 17 -20.359 -0.073 -5.766 132 H ALA 18 H ALA 18 -21.407 -3.556 -8.986 133 HA ALA 18 HA ALA 18 -23.152 -5.866 -8.543 134 1HB ALA 18 1HB ALA 18 -24.766 -4.087 -9.122 135 2HB ALA 18 2HB ALA 18 -23.775 -3.607 -10.514 136 3HB ALA 18 3HB ALA 18 -24.568 -5.196 -10.495 137 H ALA 19 H ALA 19 -21.727 -7.357 -9.333 138 HA ALA 19 HA ALA 19 -20.299 -8.469 -10.622 139 1HB ALA 19 1HB ALA 19 -20.966 -6.535 -12.867 140 2HB ALA 19 2HB ALA 19 -20.248 -8.147 -13.004 141 3HB ALA 19 3HB ALA 19 -21.911 -7.973 -12.414 142 H CYS 20 H CYS 20 -19.604 -4.957 -10.516 143 HA CYS 20 HA CYS 20 -17.161 -5.009 -11.893 144 1HB CYS 20 2HB CYS 20 -18.264 -3.163 -9.718 145 2HB CYS 20 3HB CYS 20 -16.729 -2.893 -10.548 146 HG CYS 20 HG CYS 20 -18.296 -1.329 -11.752 147 H ALA 21 H ALA 21 -17.760 -4.995 -8.393 148 HA ALA 21 HA ALA 21 -15.121 -5.381 -7.505 149 1HB ALA 21 1HB ALA 21 -17.679 -6.367 -6.170 150 2HB ALA 21 2HB ALA 21 -16.129 -5.929 -5.421 151 3HB ALA 21 3HB ALA 21 -17.124 -4.677 -6.150 152 H ALA 22 H ALA 22 -17.685 -7.753 -8.303 153 HA ALA 22 HA ALA 22 -16.222 -10.125 -7.617 154 1HB ALA 22 1HB ALA 22 -18.676 -10.051 -7.951 155 2HB ALA 22 2HB ALA 22 -18.425 -9.769 -9.690 156 3HB ALA 22 3HB ALA 22 -17.893 -11.291 -8.950 157 H ARG 23 H ARG 23 -16.351 -8.218 -10.645 158 HA ARG 23 HA ARG 23 -14.828 -10.051 -12.196 159 1HB ARG 23 2HB ARG 23 -15.690 -7.184 -12.406 160 2HB ARG 23 3HB ARG 23 -14.180 -7.550 -13.220 161 1HG ARG 23 2HG ARG 23 -16.798 -9.019 -13.651 162 2HG ARG 23 3HG ARG 23 -16.089 -7.775 -14.700 163 1HD ARG 23 2HD ARG 23 -13.974 -9.591 -14.358 164 2HD ARG 23 3HD ARG 23 -15.352 -10.660 -14.438 165 HE ARG 23 HE ARG 23 -14.092 -9.152 -16.558 166 1HH1 ARG 23 2HH2 ARG 23 -17.289 -10.159 -15.534 167 2HH1 ARG 23 1HH2 ARG 23 -17.984 -10.219 -17.127 168 1HH2 ARG 23 2HH1 ARG 23 -14.964 -9.152 -18.705 169 2HH2 ARG 23 1HH1 ARG 23 -16.610 -9.607 -18.978 170 H ILE 24 H ILE 24 -13.882 -7.331 -10.037 171 HA ILE 24 HA ILE 24 -11.084 -7.606 -10.620 172 HB ILE 24 HB ILE 24 -12.612 -6.343 -8.342 173 1HG1 ILE 24 2HG1 ILE 24 -10.997 -5.010 -10.568 174 2HG1 ILE 24 3HG1 ILE 24 -12.669 -5.491 -10.865 175 1HG2 ILE 24 1HG2 ILE 24 -10.495 -5.183 -7.795 176 2HG2 ILE 24 2HG2 ILE 24 -10.462 -6.915 -7.471 177 3HG2 ILE 24 3HG2 ILE 24 -9.646 -6.275 -8.919 178 1HD1 ILE 24 1HD1 ILE 24 -12.621 -3.195 -10.223 179 2HD1 ILE 24 2HD1 ILE 24 -13.452 -4.133 -8.989 180 3HD1 ILE 24 3HD1 ILE 24 -11.774 -3.555 -8.724 181 H GLU 25 H GLU 25 -13.139 -8.910 -7.912 182 HA GLU 25 HA GLU 25 -11.075 -10.296 -6.590 183 1HB GLU 25 2HB GLU 25 -14.028 -10.962 -6.925 184 2HB GLU 25 3HB GLU 25 -12.941 -11.830 -5.835 185 1HG GLU 25 2HG GLU 25 -12.455 -9.784 -4.582 186 2HG GLU 25 3HG GLU 25 -13.508 -8.836 -5.634 187 H LYS 26 H LYS 26 -13.245 -11.505 -9.248 188 HA LYS 26 HA LYS 26 -11.993 -14.027 -9.383 189 1HB LYS 26 2HB LYS 26 -14.237 -13.645 -10.144 190 2HB LYS 26 3HB LYS 26 -13.687 -12.543 -11.418 191 1HG LYS 26 2HG LYS 26 -12.595 -14.231 -12.611 192 2HG LYS 26 3HG LYS 26 -12.447 -15.287 -11.207 193 1HD LYS 26 2HD LYS 26 -13.944 -16.347 -12.655 194 2HD LYS 26 3HD LYS 26 -14.856 -15.791 -11.244 195 1HE LYS 26 2HE LYS 26 -15.827 -13.951 -12.517 196 2HE LYS 26 3HE LYS 26 -14.743 -14.253 -13.888 197 1HZ LYS 26 1HZ LYS 26 -16.821 -16.124 -12.949 198 2HZ LYS 26 2HZ LYS 26 -16.940 -15.151 -14.266 199 3HZ LYS 26 3HZ LYS 26 -15.825 -16.355 -14.238 200 H GLY 27 H GLY 27 -11.400 -10.965 -11.105 201 1HA GLY 27 2HA GLY 27 -9.423 -11.826 -12.946 202 2HA GLY 27 3HA GLY 27 -9.611 -10.195 -12.269 203 H LEU 28 H LEU 28 -9.230 -10.766 -9.532 204 HA LEU 28 HA LEU 28 -6.371 -10.931 -9.345 205 1HB LEU 28 2HB LEU 28 -8.638 -10.506 -7.450 206 2HB LEU 28 3HB LEU 28 -7.112 -11.102 -6.804 207 HG LEU 28 HG LEU 28 -7.387 -8.447 -8.351 208 1HD1 LEU 28 1HD1 LEU 28 -6.964 -7.532 -6.182 209 2HD1 LEU 28 2HD1 LEU 28 -8.405 -8.573 -6.129 210 3HD1 LEU 28 3HD1 LEU 28 -6.856 -9.181 -5.501 211 1HD2 LEU 28 1HD2 LEU 28 -5.170 -9.318 -8.834 212 2HD2 LEU 28 2HD2 LEU 28 -5.155 -8.063 -7.626 213 3HD2 LEU 28 3HD2 LEU 28 -4.960 -9.777 -7.134 214 H LYS 29 H LYS 29 -9.017 -13.212 -8.534 215 HA LYS 29 HA LYS 29 -7.390 -15.238 -7.472 216 1HB LYS 29 2HB LYS 29 -10.154 -15.029 -8.283 217 2HB LYS 29 3HB LYS 29 -9.484 -16.458 -9.052 218 1HG LYS 29 2HG LYS 29 -10.185 -17.355 -7.047 219 2HG LYS 29 3HG LYS 29 -8.498 -17.022 -6.696 220 1HD LYS 29 2HD LYS 29 -9.265 -15.876 -4.858 221 2HD LYS 29 3HD LYS 29 -9.673 -14.608 -6.003 222 1HE LYS 29 2HE LYS 29 -11.711 -14.848 -4.921 223 2HE LYS 29 3HE LYS 29 -11.950 -15.936 -6.290 224 1HZ LYS 29 1HZ LYS 29 -12.624 -16.989 -4.286 225 2HZ LYS 29 2HZ LYS 29 -11.232 -17.739 -4.733 226 3HZ LYS 29 3HZ LYS 29 -11.235 -16.637 -3.498 227 H ARG 30 H ARG 30 -7.471 -14.147 -10.748 228 HA ARG 30 HA ARG 30 -6.488 -16.463 -12.058 229 1HB ARG 30 2HB ARG 30 -7.225 -14.006 -12.899 230 2HB ARG 30 3HB ARG 30 -5.497 -13.700 -12.766 231 1HG ARG 30 2HG ARG 30 -5.782 -14.405 -15.006 232 2HG ARG 30 3HG ARG 30 -5.254 -15.896 -14.205 233 1HD ARG 30 2HD ARG 30 -7.737 -16.465 -13.907 234 2HD ARG 30 3HD ARG 30 -8.106 -15.040 -14.904 235 HE ARG 30 HE ARG 30 -6.260 -16.665 -16.315 236 1HH1 ARG 30 2HH2 ARG 30 -9.579 -16.786 -15.167 237 2HH1 ARG 30 1HH2 ARG 30 -10.148 -17.903 -16.371 238 1HH2 ARG 30 2HH1 ARG 30 -6.963 -18.175 -17.947 239 2HH2 ARG 30 1HH1 ARG 30 -8.610 -18.704 -17.995 240 H MET 31 H MET 31 -4.914 -14.248 -9.815 241 HA MET 31 HA MET 31 -2.198 -14.992 -10.620 242 1HB MET 31 2HB MET 31 -3.282 -13.401 -8.281 243 2HB MET 31 3HB MET 31 -1.573 -13.531 -8.677 244 1HG MET 31 2HG MET 31 -3.451 -12.419 -10.783 245 2HG MET 31 3HG MET 31 -3.073 -11.466 -9.363 246 1HE MET 31 1HE MET 31 -0.013 -12.457 -12.653 247 2HE MET 31 2HE MET 31 -0.700 -13.782 -11.701 248 3HE MET 31 3HE MET 31 -1.754 -12.802 -12.758 249 HA PRO 32 HA PRO 32 -2.072 -18.508 -7.953 250 1HB PRO 32 2HB PRO 32 0.602 -18.753 -7.368 251 2HB PRO 32 3HB PRO 32 -0.104 -19.094 -8.971 252 1HG PRO 32 2HG PRO 32 1.252 -16.551 -8.053 253 2HG PRO 32 3HG PRO 32 1.534 -17.460 -9.562 254 1HD PRO 32 2HD PRO 32 -0.101 -15.288 -9.518 255 2HD PRO 32 3HD PRO 32 -0.518 -16.721 -10.502 256 H GLY 33 H GLY 33 -0.186 -15.654 -6.629 257 1HA GLY 33 2HA GLY 33 -0.052 -16.751 -4.014 258 2HA GLY 33 3HA GLY 33 0.269 -15.078 -4.496 259 H VAL 34 H VAL 34 -2.526 -14.952 -5.712 260 HA VAL 34 HA VAL 34 -3.955 -13.772 -3.528 261 HB VAL 34 HB VAL 34 -4.769 -14.622 -6.313 262 1HG1 VAL 34 1HG1 VAL 34 -6.437 -13.287 -4.135 263 2HG1 VAL 34 2HG1 VAL 34 -6.856 -13.291 -5.859 264 3HG1 VAL 34 3HG1 VAL 34 -6.794 -14.812 -4.976 265 1HG2 VAL 34 1HG2 VAL 34 -3.233 -12.639 -6.009 266 2HG2 VAL 34 2HG2 VAL 34 -4.818 -12.171 -6.641 267 3HG2 VAL 34 3HG2 VAL 34 -4.442 -11.911 -4.933 268 H THR 35 H THR 35 -4.336 -14.837 -1.785 269 HA THR 35 HA THR 35 -4.945 -17.704 -1.918 270 HB THR 35 HB THR 35 -4.581 -15.857 0.447 271 HG1 THR 35 1HG THR 35 -2.770 -16.392 -1.251 272 1HG2 THR 35 1HG2 THR 35 -5.788 -17.938 0.998 273 2HG2 THR 35 2HG2 THR 35 -4.566 -18.904 0.147 274 3HG2 THR 35 3HG2 THR 35 -4.151 -18.057 1.642 275 H ASP 36 H ASP 36 -6.360 -14.540 -0.729 276 HA ASP 36 HA ASP 36 -8.806 -15.501 -1.856 277 1HB ASP 36 2HB ASP 36 -8.942 -16.351 0.545 278 2HB ASP 36 3HB ASP 36 -8.886 -14.668 1.077 279 H ALA 37 H ALA 37 -10.331 -13.777 -2.143 280 HA ALA 37 HA ALA 37 -9.086 -11.043 -2.060 281 1HB ALA 37 1HB ALA 37 -8.833 -11.891 -4.370 282 2HB ALA 37 2HB ALA 37 -10.574 -12.247 -4.434 283 3HB ALA 37 3HB ALA 37 -10.012 -10.570 -4.277 284 H ASN 38 H ASN 38 -10.481 -9.640 -0.995 285 HA ASN 38 HA ASN 38 -13.374 -10.359 -0.934 286 1HB ASN 38 2HB ASN 38 -11.745 -9.301 1.410 287 2HB ASN 38 3HB ASN 38 -13.445 -9.760 1.417 288 1HD2 ASN 38 1HD2 ASN 38 -12.663 -12.340 -0.238 289 2HD2 ASN 38 2HD2 ASN 38 -12.029 -13.385 1.019 290 H VAL 39 H VAL 39 -14.748 -8.545 -0.622 291 HA VAL 39 HA VAL 39 -13.593 -5.841 -0.756 292 HB VAL 39 HB VAL 39 -13.650 -6.721 -3.057 293 1HG1 VAL 39 1HG1 VAL 39 -15.904 -8.070 -2.530 294 2HG1 VAL 39 2HG1 VAL 39 -16.651 -6.597 -3.152 295 3HG1 VAL 39 3HG1 VAL 39 -15.493 -7.518 -4.144 296 1HG2 VAL 39 1HG2 VAL 39 -14.683 -4.770 -4.057 297 2HG2 VAL 39 2HG2 VAL 39 -15.632 -4.460 -2.587 298 3HG2 VAL 39 3HG2 VAL 39 -13.865 -4.303 -2.563 299 H ASN 40 H ASN 40 -14.435 -4.916 0.897 300 HA ASN 40 HA ASN 40 -17.266 -5.340 1.688 301 1HB ASN 40 2HB ASN 40 -14.850 -3.924 2.832 302 2HB ASN 40 3HB ASN 40 -16.451 -3.291 3.212 303 1HD2 ASN 40 1HD2 ASN 40 -17.622 -4.162 4.827 304 2HD2 ASN 40 2HD2 ASN 40 -17.243 -5.705 5.575 305 H LEU 41 H LEU 41 -17.764 -4.803 -0.605 306 HA LEU 41 HA LEU 41 -17.683 -2.166 -1.627 307 1HB LEU 41 2HB LEU 41 -19.578 -2.777 -2.979 308 2HB LEU 41 3HB LEU 41 -18.430 -4.105 -2.893 309 HG LEU 41 HG LEU 41 -20.104 -4.860 -0.922 310 1HD1 LEU 41 1HD1 LEU 41 -21.615 -2.819 -1.263 311 2HD1 LEU 41 2HD1 LEU 41 -21.940 -3.436 -2.887 312 3HD1 LEU 41 3HD1 LEU 41 -22.432 -4.377 -1.470 313 1HD2 LEU 41 1HD2 LEU 41 -20.567 -5.209 -3.920 314 2HD2 LEU 41 2HD2 LEU 41 -19.518 -6.209 -2.888 315 3HD2 LEU 41 3HD2 LEU 41 -21.275 -6.243 -2.653 316 H ALA 42 H ALA 42 -19.489 -3.467 0.990 317 HA ALA 42 HA ALA 42 -21.517 -1.564 1.307 318 1HB ALA 42 1HB ALA 42 -21.391 -3.704 2.585 319 2HB ALA 42 2HB ALA 42 -19.956 -3.097 3.447 320 3HB ALA 42 3HB ALA 42 -21.531 -2.313 3.683 321 H THR 43 H THR 43 -18.046 -1.411 2.073 322 HA THR 43 HA THR 43 -18.398 1.446 2.823 323 HB THR 43 HB THR 43 -16.445 1.117 4.353 324 HG1 THR 43 1HG THR 43 -15.754 -0.899 4.794 325 1HG2 THR 43 1HG2 THR 43 -17.697 0.093 6.193 326 2HG2 THR 43 2HG2 THR 43 -18.782 1.128 5.245 327 3HG2 THR 43 3HG2 THR 43 -18.847 -0.636 5.061 328 H GLU 44 H GLU 44 -17.858 -0.094 0.247 329 HA GLU 44 HA GLU 44 -16.357 -0.187 -1.479 330 1HB GLU 44 2HB GLU 44 -16.169 2.732 -0.643 331 2HB GLU 44 3HB GLU 44 -15.474 2.090 -2.135 332 1HG GLU 44 2HG GLU 44 -17.684 1.300 -2.882 333 2HG GLU 44 3HG GLU 44 -18.427 1.965 -1.416 334 H THR 45 H THR 45 -15.053 -1.551 0.368 335 HA THR 45 HA THR 45 -12.252 -0.473 0.374 336 HB THR 45 HB THR 45 -13.944 -1.530 2.662 337 HG1 THR 45 1HG THR 45 -14.035 0.726 2.171 338 1HG2 THR 45 1HG2 THR 45 -11.832 -1.150 4.020 339 2HG2 THR 45 2HG2 THR 45 -11.854 -2.578 2.977 340 3HG2 THR 45 3HG2 THR 45 -10.932 -1.133 2.485 341 H VAL 46 H VAL 46 -10.984 -1.875 -0.697 342 HA VAL 46 HA VAL 46 -11.886 -4.667 -1.143 343 HB VAL 46 HB VAL 46 -11.384 -3.530 -3.156 344 1HG1 VAL 46 1HG1 VAL 46 -9.870 -1.698 -2.413 345 2HG1 VAL 46 2HG1 VAL 46 -8.602 -2.876 -2.039 346 3HG1 VAL 46 3HG1 VAL 46 -9.134 -2.635 -3.707 347 1HG2 VAL 46 1HG2 VAL 46 -9.672 -4.962 -4.084 348 2HG2 VAL 46 2HG2 VAL 46 -9.023 -5.292 -2.468 349 3HG2 VAL 46 3HG2 VAL 46 -10.643 -5.887 -2.917 350 H ASN 47 H ASN 47 -10.887 -6.337 -0.143 351 HA ASN 47 HA ASN 47 -8.410 -5.779 1.421 352 1HB ASN 47 2HB ASN 47 -10.835 -7.379 2.283 353 2HB ASN 47 3HB ASN 47 -9.241 -7.501 3.036 354 1HD2 ASN 47 1HD2 ASN 47 -9.828 -6.724 5.087 355 2HD2 ASN 47 2HD2 ASN 47 -10.390 -5.068 5.336 356 H VAL 48 H VAL 48 -6.884 -6.871 0.337 357 HA VAL 48 HA VAL 48 -7.675 -9.519 -0.911 358 HB VAL 48 HB VAL 48 -5.229 -8.001 -1.772 359 1HG1 VAL 48 1HG1 VAL 48 -5.641 -10.489 -2.297 360 2HG1 VAL 48 2HG1 VAL 48 -7.057 -9.975 -3.215 361 3HG1 VAL 48 3HG1 VAL 48 -5.434 -9.443 -3.704 362 1HG2 VAL 48 1HG2 VAL 48 -8.065 -7.693 -2.848 363 2HG2 VAL 48 2HG2 VAL 48 -7.012 -6.413 -2.189 364 3HG2 VAL 48 3HG2 VAL 48 -6.598 -7.194 -3.717 365 H ILE 49 H ILE 49 -6.722 -11.358 -0.179 366 HA ILE 49 HA ILE 49 -4.493 -11.076 1.734 367 HB ILE 49 HB ILE 49 -6.652 -13.197 1.564 368 1HG1 ILE 49 2HG1 ILE 49 -6.067 -11.223 3.809 369 2HG1 ILE 49 3HG1 ILE 49 -7.260 -10.885 2.548 370 1HG2 ILE 49 1HG2 ILE 49 -4.259 -12.874 3.444 371 2HG2 ILE 49 2HG2 ILE 49 -5.545 -14.079 3.645 372 3HG2 ILE 49 3HG2 ILE 49 -4.482 -14.166 2.248 373 1HD1 ILE 49 1HD1 ILE 49 -8.387 -11.728 4.487 374 2HD1 ILE 49 2HD1 ILE 49 -8.536 -12.893 3.158 375 3HD1 ILE 49 3HD1 ILE 49 -7.408 -13.202 4.502 376 H TYR 50 H TYR 50 -2.586 -11.646 0.735 377 HA TYR 50 HA TYR 50 -2.610 -14.039 -0.990 378 1HB TYR 50 2HB TYR 50 -1.286 -12.858 -2.780 379 2HB TYR 50 3HB TYR 50 -2.926 -12.246 -2.607 380 HD1 TYR 50 HD1 TYR 50 0.637 -11.409 -1.774 381 HD2 TYR 50 HD2 TYR 50 -3.433 -10.069 -2.176 382 HE1 TYR 50 HE1 TYR 50 1.327 -9.109 -1.145 383 HE2 TYR 50 HE2 TYR 50 -2.706 -7.786 -1.853 384 HH TYR 50 HH TYR 50 -1.076 -6.671 -0.355 385 H ASP 51 H ASP 51 -0.521 -14.723 -1.666 386 HA ASP 51 HA ASP 51 1.282 -14.860 0.563 387 1HB ASP 51 2HB ASP 51 0.687 -16.604 -1.403 388 2HB ASP 51 3HB ASP 51 1.951 -15.778 -2.283 389 HA PRO 52 HA PRO 52 3.452 -11.270 -1.208 390 1HB PRO 52 2HB PRO 52 5.003 -10.532 0.910 391 2HB PRO 52 3HB PRO 52 3.221 -10.450 1.007 392 1HG PRO 52 2HG PRO 52 5.003 -12.718 1.972 393 2HG PRO 52 3HG PRO 52 3.770 -11.843 2.924 394 1HD PRO 52 2HD PRO 52 3.249 -14.208 1.639 395 2HD PRO 52 3HD PRO 52 2.009 -12.929 1.797 396 H ALA 53 H ALA 53 4.247 -13.944 -1.951 397 HA ALA 53 HA ALA 53 7.027 -13.492 -2.649 398 1HB ALA 53 1HB ALA 53 6.361 -15.810 -0.778 399 2HB ALA 53 2HB ALA 53 7.943 -15.479 -1.509 400 3HB ALA 53 3HB ALA 53 7.283 -14.363 -0.296 401 H GLU 54 H GLU 54 4.499 -13.989 -3.883 402 HA GLU 54 HA GLU 54 5.465 -15.966 -5.813 403 1HB GLU 54 2HB GLU 54 2.607 -16.053 -4.704 404 2HB GLU 54 3HB GLU 54 3.141 -16.804 -6.209 405 1HG GLU 54 2HG GLU 54 4.890 -18.066 -4.800 406 2HG GLU 54 3HG GLU 54 3.931 -17.573 -3.392 407 H THR 55 H THR 55 2.976 -13.475 -4.935 408 HA THR 55 HA THR 55 2.715 -12.793 -7.824 409 HB THR 55 HB THR 55 0.863 -12.710 -5.432 410 HG1 THR 55 1HG THR 55 1.010 -14.084 -7.894 411 1HG2 THR 55 1HG2 THR 55 0.435 -11.558 -8.218 412 2HG2 THR 55 2HG2 THR 55 -0.824 -11.848 -6.987 413 3HG2 THR 55 3HG2 THR 55 0.468 -10.681 -6.664 414 H GLY 56 H GLY 56 1.885 -10.764 -4.968 415 1HA GLY 56 2HA GLY 56 3.697 -9.311 -4.066 416 2HA GLY 56 3HA GLY 56 4.149 -8.936 -5.736 417 H THR 57 H THR 57 2.651 -7.649 -3.281 418 HA THR 57 HA THR 57 0.185 -6.762 -3.734 419 HB THR 57 HB THR 57 1.789 -6.159 -1.886 420 HG1 THR 57 1HG THR 57 -0.206 -5.439 -1.781 421 1HG2 THR 57 1HG2 THR 57 2.872 -4.023 -1.875 422 2HG2 THR 57 2HG2 THR 57 3.529 -4.969 -3.224 423 3HG2 THR 57 3HG2 THR 57 2.341 -3.664 -3.514 424 H ALA 58 H ALA 58 2.988 -5.365 -5.428 425 HA ALA 58 HA ALA 58 1.691 -3.302 -6.810 426 1HB ALA 58 1HB ALA 58 4.077 -4.984 -7.689 427 2HB ALA 58 2HB ALA 58 3.608 -3.408 -8.361 428 3HB ALA 58 3HB ALA 58 4.130 -3.525 -6.670 429 H ALA 59 H ALA 59 1.939 -6.792 -7.646 430 HA ALA 59 HA ALA 59 0.847 -6.478 -10.311 431 1HB ALA 59 1HB ALA 59 0.667 -8.868 -10.280 432 2HB ALA 59 2HB ALA 59 2.245 -8.390 -9.602 433 3HB ALA 59 3HB ALA 59 0.934 -8.919 -8.520 434 H ILE 60 H ILE 60 -0.441 -6.803 -7.045 435 HA ILE 60 HA ILE 60 -3.063 -7.708 -7.820 436 HB ILE 60 HB ILE 60 -2.469 -6.139 -5.346 437 1HG1 ILE 60 2HG1 ILE 60 -0.706 -7.962 -5.467 438 2HG1 ILE 60 3HG1 ILE 60 -1.790 -8.086 -4.117 439 1HG2 ILE 60 1HG2 ILE 60 -4.429 -8.344 -5.541 440 2HG2 ILE 60 2HG2 ILE 60 -4.059 -7.314 -4.168 441 3HG2 ILE 60 3HG2 ILE 60 -4.778 -6.598 -5.628 442 1HD1 ILE 60 1HD1 ILE 60 -1.288 -10.245 -5.151 443 2HD1 ILE 60 2HD1 ILE 60 -3.011 -9.911 -5.180 444 3HD1 ILE 60 3HD1 ILE 60 -2.050 -9.703 -6.669 445 H GLN 61 H GLN 61 -1.583 -4.539 -6.889 446 HA GLN 61 HA GLN 61 -3.930 -3.042 -7.565 447 1HB GLN 61 2HB GLN 61 -2.816 -1.103 -7.212 448 2HB GLN 61 3HB GLN 61 -1.987 -2.230 -6.132 449 1HG GLN 61 2HG GLN 61 -0.132 -2.382 -7.700 450 2HG GLN 61 3HG GLN 61 -0.927 -1.297 -8.851 451 1HE2 GLN 61 1HE2 GLN 61 -1.688 0.871 -7.516 452 2HE2 GLN 61 2HE2 GLN 61 -0.340 1.532 -6.603 453 H GLU 62 H GLU 62 -1.107 -4.097 -9.544 454 HA GLU 62 HA GLU 62 -1.728 -2.686 -11.895 455 1HB GLU 62 2HB GLU 62 0.330 -4.086 -11.466 456 2HB GLU 62 3HB GLU 62 -0.676 -5.530 -11.682 457 1HG GLU 62 2HG GLU 62 -1.245 -4.646 -14.001 458 2HG GLU 62 3HG GLU 62 0.038 -3.447 -13.753 459 H LYS 63 H LYS 63 -3.070 -5.788 -10.618 460 HA LYS 63 HA LYS 63 -4.658 -6.325 -12.853 461 1HB LYS 63 2HB LYS 63 -4.424 -7.285 -10.071 462 2HB LYS 63 3HB LYS 63 -6.051 -7.439 -10.701 463 1HG LYS 63 2HG LYS 63 -3.583 -8.421 -12.233 464 2HG LYS 63 3HG LYS 63 -4.389 -9.376 -11.000 465 1HD LYS 63 2HD LYS 63 -5.488 -10.195 -12.761 466 2HD LYS 63 3HD LYS 63 -6.590 -8.885 -12.308 467 1HE LYS 63 2HE LYS 63 -5.758 -7.499 -14.176 468 2HE LYS 63 3HE LYS 63 -4.471 -8.675 -14.511 469 1HZ LYS 63 1HZ LYS 63 -7.372 -9.078 -14.808 470 2HZ LYS 63 2HZ LYS 63 -6.288 -8.867 -16.023 471 3HZ LYS 63 3HZ LYS 63 -6.229 -10.230 -15.103 472 H ILE 64 H ILE 64 -5.443 -4.466 -9.864 473 HA ILE 64 HA ILE 64 -8.145 -3.872 -10.536 474 HB ILE 64 HB ILE 64 -6.100 -2.211 -8.999 475 1HG1 ILE 64 2HG1 ILE 64 -8.253 -4.151 -8.014 476 2HG1 ILE 64 3HG1 ILE 64 -6.533 -4.526 -8.086 477 1HG2 ILE 64 1HG2 ILE 64 -9.132 -2.019 -9.026 478 2HG2 ILE 64 2HG2 ILE 64 -8.030 -1.075 -8.002 479 3HG2 ILE 64 3HG2 ILE 64 -8.007 -0.834 -9.736 480 1HD1 ILE 64 1HD1 ILE 64 -6.978 -3.953 -5.845 481 2HD1 ILE 64 2HD1 ILE 64 -6.093 -2.584 -6.541 482 3HD1 ILE 64 3HD1 ILE 64 -7.852 -2.481 -6.284 483 H GLU 65 H GLU 65 -5.068 -2.226 -11.419 484 HA GLU 65 HA GLU 65 -6.338 -0.143 -12.924 485 1HB GLU 65 2HB GLU 65 -3.530 -1.310 -13.138 486 2HB GLU 65 3HB GLU 65 -4.109 0.104 -14.018 487 1HG GLU 65 2HG GLU 65 -4.787 1.109 -11.759 488 2HG GLU 65 3HG GLU 65 -3.897 -0.211 -10.991 489 H LYS 66 H LYS 66 -4.929 -3.232 -14.069 490 HA LYS 66 HA LYS 66 -5.584 -2.985 -16.803 491 1HB LYS 66 2HB LYS 66 -5.138 -5.332 -14.977 492 2HB LYS 66 3HB LYS 66 -5.674 -5.566 -16.652 493 1HG LYS 66 2HG LYS 66 -3.785 -4.255 -17.495 494 2HG LYS 66 3HG LYS 66 -3.193 -3.988 -15.834 495 1HD LYS 66 2HD LYS 66 -2.718 -6.305 -15.525 496 2HD LYS 66 3HD LYS 66 -3.752 -6.770 -16.890 497 1HE LYS 66 2HE LYS 66 -1.476 -7.104 -17.574 498 2HE LYS 66 3HE LYS 66 -2.162 -5.764 -18.503 499 1HZ LYS 66 1HZ LYS 66 -1.001 -4.272 -16.912 500 2HZ LYS 66 2HZ LYS 66 -0.362 -5.592 -16.180 501 3HZ LYS 66 3HZ LYS 66 0.050 -5.263 -17.714 502 H LEU 67 H LEU 67 -7.613 -4.272 -14.114 503 HA LEU 67 HA LEU 67 -9.858 -4.983 -15.728 504 1HB LEU 67 2HB LEU 67 -9.298 -4.369 -12.836 505 2HB LEU 67 3HB LEU 67 -10.963 -4.379 -13.349 506 HG LEU 67 HG LEU 67 -9.949 -6.489 -12.378 507 1HD1 LEU 67 1HD1 LEU 67 -11.594 -6.578 -14.948 508 2HD1 LEU 67 2HD1 LEU 67 -11.525 -7.862 -13.720 509 3HD1 LEU 67 3HD1 LEU 67 -12.219 -6.283 -13.313 510 1HD2 LEU 67 1HD2 LEU 67 -7.996 -6.753 -13.854 511 2HD2 LEU 67 2HD2 LEU 67 -9.083 -8.146 -13.882 512 3HD2 LEU 67 3HD2 LEU 67 -9.072 -7.012 -15.242 513 H GLY 68 H GLY 68 -8.625 -1.827 -14.944 514 1HA GLY 68 2HA GLY 68 -9.272 0.056 -16.127 515 2HA GLY 68 3HA GLY 68 -10.876 -0.616 -16.434 516 H TYR 69 H TYR 69 -9.130 -0.400 -13.304 517 HA TYR 69 HA TYR 69 -11.144 1.585 -12.300 518 1HB TYR 69 2HB TYR 69 -10.070 -0.886 -10.905 519 2HB TYR 69 3HB TYR 69 -11.094 0.332 -10.158 520 HD1 TYR 69 HD1 TYR 69 -10.964 -2.182 -12.898 521 HD2 TYR 69 HD2 TYR 69 -13.457 -0.007 -10.181 522 HE1 TYR 69 HE1 TYR 69 -12.968 -3.381 -13.779 523 HE2 TYR 69 HE2 TYR 69 -15.432 -1.212 -11.013 524 HH TYR 69 HH TYR 69 -15.207 -3.707 -13.568 525 H HIS 70 H HIS 70 -10.266 2.388 -10.030 526 HA HIS 70 HA HIS 70 -7.347 2.900 -10.151 527 1HB HIS 70 2HB HIS 70 -9.572 4.930 -10.416 528 2HB HIS 70 3HB HIS 70 -8.149 5.354 -9.481 529 HD1 HIS 70 1HD HIS 70 -5.885 5.787 -10.820 530 HD2 HIS 70 2HD HIS 70 -9.149 4.456 -13.125 531 HE1 HIS 70 1HE HIS 70 -5.222 6.077 -13.265 532 H VAL 71 H VAL 71 -6.444 3.297 -8.173 533 HA VAL 71 HA VAL 71 -8.016 2.417 -5.834 534 HB VAL 71 HB VAL 71 -5.832 2.136 -4.800 535 1HG1 VAL 71 1HG1 VAL 71 -6.929 0.277 -5.974 536 2HG1 VAL 71 2HG1 VAL 71 -6.094 0.716 -7.481 537 3HG1 VAL 71 3HG1 VAL 71 -5.163 0.161 -6.077 538 1HG2 VAL 71 1HG2 VAL 71 -4.521 3.839 -6.139 539 2HG2 VAL 71 2HG2 VAL 71 -3.757 2.246 -6.067 540 3HG2 VAL 71 3HG2 VAL 71 -4.602 2.749 -7.535 541 H VAL 72 H VAL 72 -8.166 3.626 -3.922 542 HA VAL 72 HA VAL 72 -8.058 6.556 -4.361 543 HB VAL 72 HB VAL 72 -8.977 4.883 -2.013 544 1HG1 VAL 72 1HG1 VAL 72 -8.454 7.237 -1.321 545 2HG1 VAL 72 2HG1 VAL 72 -9.436 7.842 -2.667 546 3HG1 VAL 72 3HG1 VAL 72 -10.196 6.972 -1.320 547 1HG2 VAL 72 1HG2 VAL 72 -10.676 6.222 -4.142 548 2HG2 VAL 72 2HG2 VAL 72 -10.416 4.472 -3.975 549 3HG2 VAL 72 3HG2 VAL 72 -11.264 5.357 -2.700 550 H THR 73 H THR 73 -5.638 6.272 -4.650 551 HA THR 73 HA THR 73 -4.279 6.392 -2.010 552 HB THR 73 HB THR 73 -2.923 4.861 -4.209 553 HG1 THR 73 1HG THR 73 -4.035 2.995 -3.709 554 1HG2 THR 73 1HG2 THR 73 -3.350 4.140 -1.316 555 2HG2 THR 73 2HG2 THR 73 -1.924 3.787 -2.311 556 3HG2 THR 73 3HG2 THR 73 -2.230 5.442 -1.733 557 H GLU 74 H GLU 74 -2.708 7.894 -1.849 558 HA GLU 74 HA GLU 74 -2.112 9.534 -4.279 559 1HB GLU 74 2HB GLU 74 -2.520 10.303 -1.359 560 2HB GLU 74 3HB GLU 74 -1.989 11.415 -2.628 561 1HG GLU 74 2HG GLU 74 -4.642 9.903 -2.800 562 2HG GLU 74 3HG GLU 74 -4.463 11.499 -2.061 563 H LYS 75 H LYS 75 0.017 10.015 -4.631 564 HA LYS 75 HA LYS 75 2.060 8.601 -3.040 565 1HB LYS 75 2HB LYS 75 3.476 8.832 -4.814 566 2HB LYS 75 3HB LYS 75 1.901 8.549 -5.551 567 1HG LYS 75 2HG LYS 75 1.776 11.116 -5.842 568 2HG LYS 75 3HG LYS 75 3.508 11.087 -5.440 569 1HD LYS 75 2HD LYS 75 3.646 9.183 -7.257 570 2HD LYS 75 3HD LYS 75 2.135 9.872 -7.852 571 1HE LYS 75 2HE LYS 75 4.829 11.291 -7.478 572 2HE LYS 75 3HE LYS 75 4.095 10.839 -9.023 573 1HZ LYS 75 1HZ LYS 75 2.318 12.442 -8.540 574 2HZ LYS 75 2HZ LYS 75 3.008 12.844 -7.120 575 3HZ LYS 75 3HZ LYS 75 3.782 13.190 -8.484 576 H ALA 76 H ALA 76 2.032 9.638 -1.091 577 HA ALA 76 HA ALA 76 2.374 12.619 -1.066 578 1HB ALA 76 1HB ALA 76 2.100 10.608 1.187 579 2HB ALA 76 2HB ALA 76 2.259 12.369 1.386 580 3HB ALA 76 3HB ALA 76 0.845 11.693 0.551 581 H GLU 77 H GLU 77 4.417 13.611 -0.943 582 HA GLU 77 HA GLU 77 6.748 11.862 -0.559 583 1HB GLU 77 2HB GLU 77 6.462 14.837 -1.169 584 2HB GLU 77 3HB GLU 77 7.987 14.070 -0.708 585 1HG GLU 77 2HG GLU 77 7.681 12.451 -2.641 586 2HG GLU 77 3HG GLU 77 6.380 13.520 -3.206 587 H PHE 78 H PHE 78 7.560 11.388 1.332 588 HA PHE 78 HA PHE 78 7.368 13.293 3.630 589 1HB PHE 78 2HB PHE 78 7.317 10.303 3.483 590 2HB PHE 78 3HB PHE 78 7.993 11.117 4.890 591 HD1 PHE 78 1HD PHE 78 6.540 11.690 6.670 592 HD2 PHE 78 2HD PHE 78 4.883 11.301 2.717 593 HE1 PHE 78 1HE PHE 78 4.297 11.425 7.644 594 HE2 PHE 78 2HE PHE 78 2.609 11.358 3.682 595 HZ PHE 78 HZ PHE 78 2.305 11.371 6.138 596 H ASP 79 H ASP 79 9.161 13.658 4.752 597 HA ASP 79 HA ASP 79 11.785 13.308 3.378 598 1HB ASP 79 2HB ASP 79 10.644 15.642 3.823 599 2HB ASP 79 3HB ASP 79 10.846 15.312 5.483 600 H ILE 80 H ILE 80 13.553 12.390 4.749 601 HA ILE 80 HA ILE 80 12.539 11.231 7.333 602 HB ILE 80 HB ILE 80 14.593 10.075 5.465 603 1HG1 ILE 80 2HG1 ILE 80 11.625 9.384 5.389 604 2HG1 ILE 80 3HG1 ILE 80 12.464 10.350 4.162 605 1HG2 ILE 80 1HG2 ILE 80 12.772 8.843 7.585 606 2HG2 ILE 80 2HG2 ILE 80 14.036 7.986 6.684 607 3HG2 ILE 80 3HG2 ILE 80 14.482 9.254 7.821 608 1HD1 ILE 80 1HD1 ILE 80 13.001 7.479 4.790 609 2HD1 ILE 80 2HD1 ILE 80 12.454 8.249 3.293 610 3HD1 ILE 80 3HD1 ILE 80 14.106 8.533 3.853 611 H GLU 81 H GLU 81 13.781 11.793 9.183 612 HA GLU 81 HA GLU 81 16.687 12.373 8.626 613 1HB GLU 81 2HB GLU 81 14.915 13.333 10.796 614 2HB GLU 81 3HB GLU 81 16.658 13.714 10.640 615 1HG GLU 81 2HG GLU 81 15.747 14.830 8.355 616 2HG GLU 81 3HG GLU 81 14.242 14.891 9.293 617 H GLY 82 H GLY 82 18.005 10.921 9.626 618 1HA GLY 82 2HA GLY 82 18.287 10.105 12.045 619 2HA GLY 82 3HA GLY 82 16.896 9.076 11.714 620 H MET 83 H MET 83 17.835 8.654 8.836 621 HA MET 83 HA MET 83 19.114 6.379 8.922 622 1HB MET 83 2HB MET 83 19.164 8.603 6.853 623 2HB MET 83 3HB MET 83 19.621 6.940 6.457 624 1HG MET 83 2HG MET 83 17.476 6.179 6.463 625 2HG MET 83 3HG MET 83 16.873 7.346 7.628 626 1HE MET 83 1HE MET 83 18.488 7.131 4.045 627 2HE MET 83 2HE MET 83 17.778 8.559 3.266 628 3HE MET 83 3HE MET 83 18.975 8.759 4.555 629 H THR 84 H THR 84 20.732 6.802 10.607 630 HA THR 84 HA THR 84 23.322 7.785 9.715 631 HB THR 84 HB THR 84 22.617 7.932 12.017 632 HG1 THR 84 1HG THR 84 24.827 7.746 11.582 633 1HG2 THR 84 1HG2 THR 84 21.236 5.943 12.329 634 2HG2 THR 84 2HG2 THR 84 22.647 4.891 12.113 635 3HG2 THR 84 3HG2 THR 84 22.546 5.982 13.506 636 H CYS 85 H CYS 85 22.387 6.152 7.685 637 HA CYS 85 HA CYS 85 23.294 4.706 6.255 638 1HB CYS 85 2HB CYS 85 25.490 5.614 7.117 639 2HB CYS 85 3HB CYS 85 25.610 4.200 8.179 640 HG CYS 85 HG CYS 85 27.112 3.860 6.102 641 H ALA 86 H ALA 86 24.836 2.253 7.751 642 HA ALA 86 HA ALA 86 24.326 0.127 8.102 643 1HB ALA 86 1HB ALA 86 21.994 1.255 9.720 644 2HB ALA 86 2HB ALA 86 22.574 -0.421 9.749 645 3HB ALA 86 3HB ALA 86 23.628 0.895 10.295 646 H ALA 87 H ALA 87 21.048 1.367 7.876 647 HA ALA 87 HA ALA 87 20.350 0.803 5.270 648 1HB ALA 87 1HB ALA 87 19.043 -1.418 5.607 649 2HB ALA 87 2HB ALA 87 20.786 -1.573 5.541 650 3HB ALA 87 3HB ALA 87 19.949 -1.606 7.108 651 H CYS 88 H CYS 88 19.701 2.886 7.327 652 HA CYS 88 HA CYS 88 17.306 2.082 8.734 653 1HB CYS 88 2HB CYS 88 18.520 4.718 7.929 654 2HB CYS 88 3HB CYS 88 17.203 4.564 9.122 655 HG CYS 88 HG CYS 88 20.302 3.376 9.251 656 H ALA 89 H ALA 89 17.921 3.990 5.763 657 HA ALA 89 HA ALA 89 15.190 4.514 5.123 658 1HB ALA 89 1HB ALA 89 17.691 4.196 3.453 659 2HB ALA 89 2HB ALA 89 16.127 4.501 2.703 660 3HB ALA 89 3HB ALA 89 16.788 5.675 3.850 661 H ASN 90 H ASN 90 17.288 1.720 4.317 662 HA ASN 90 HA ASN 90 15.364 0.389 2.722 663 1HB ASN 90 2HB ASN 90 17.902 -0.384 4.102 664 2HB ASN 90 3HB ASN 90 16.816 -1.708 3.662 665 1HD2 ASN 90 1HD2 ASN 90 19.431 0.052 2.501 666 2HD2 ASN 90 2HD2 ASN 90 19.136 -0.225 0.796 667 H ARG 91 H ARG 91 16.058 0.121 6.233 668 HA ARG 91 HA ARG 91 14.038 -1.796 6.855 669 1HB ARG 91 2HB ARG 91 15.337 0.481 8.422 670 2HB ARG 91 3HB ARG 91 14.053 -0.477 9.100 671 1HG ARG 91 2HG ARG 91 15.768 -2.468 8.162 672 2HG ARG 91 3HG ARG 91 16.894 -1.180 8.595 673 1HD ARG 91 2HD ARG 91 16.549 -2.630 10.516 674 2HD ARG 91 3HD ARG 91 15.827 -1.037 10.848 675 HE ARG 91 HE ARG 91 13.921 -2.852 9.663 676 1HH1 ARG 91 2HH2 ARG 91 15.520 -2.181 12.733 677 2HH1 ARG 91 1HH2 ARG 91 14.237 -2.787 13.730 678 1HH2 ARG 91 2HH1 ARG 91 12.213 -3.709 10.939 679 2HH2 ARG 91 1HH1 ARG 91 12.318 -3.708 12.673 680 H ILE 92 H ILE 92 13.891 1.773 6.793 681 HA ILE 92 HA ILE 92 11.154 1.935 7.477 682 HB ILE 92 HB ILE 92 13.291 3.724 6.823 683 1HG1 ILE 92 2HG1 ILE 92 10.540 4.238 7.926 684 2HG1 ILE 92 3HG1 ILE 92 11.941 3.662 8.855 685 1HG2 ILE 92 1HG2 ILE 92 12.237 5.502 5.614 686 2HG2 ILE 92 2HG2 ILE 92 12.276 4.062 4.615 687 3HG2 ILE 92 3HG2 ILE 92 10.749 4.565 5.404 688 1HD1 ILE 92 1HD1 ILE 92 13.187 5.761 8.125 689 2HD1 ILE 92 2HD1 ILE 92 11.621 6.387 7.542 690 3HD1 ILE 92 3HD1 ILE 92 11.845 6.003 9.247 691 H GLU 93 H GLU 93 12.697 1.473 4.306 692 HA GLU 93 HA GLU 93 10.421 1.825 2.662 693 1HB GLU 93 2HB GLU 93 12.839 1.666 1.831 694 2HB GLU 93 3HB GLU 93 12.823 -0.038 2.240 695 1HG GLU 93 2HG GLU 93 10.573 -0.014 0.781 696 2HG GLU 93 3HG GLU 93 11.363 1.383 0.065 697 H LYS 94 H LYS 94 12.070 -1.144 3.821 698 HA LYS 94 HA LYS 94 10.170 -2.984 2.974 699 1HB LYS 94 2HB LYS 94 12.102 -2.984 5.335 700 2HB LYS 94 3HB LYS 94 11.148 -4.412 4.932 701 1HG LYS 94 2HG LYS 94 13.006 -3.026 2.937 702 2HG LYS 94 3HG LYS 94 13.499 -4.346 3.997 703 1HD LYS 94 2HD LYS 94 11.066 -5.209 2.757 704 2HD LYS 94 3HD LYS 94 12.009 -4.414 1.483 705 1HE LYS 94 2HE LYS 94 13.962 -5.864 2.029 706 2HE LYS 94 3HE LYS 94 13.051 -6.615 3.354 707 1HZ LYS 94 1HZ LYS 94 13.047 -7.968 1.391 708 2HZ LYS 94 2HZ LYS 94 11.517 -7.482 1.737 709 3HZ LYS 94 3HZ LYS 94 12.347 -6.776 0.500 710 H ARG 95 H ARG 95 10.126 -1.016 5.910 711 HA ARG 95 HA ARG 95 7.780 -2.393 7.041 712 1HB ARG 95 2HB ARG 95 9.027 0.332 7.512 713 2HB ARG 95 3HB ARG 95 7.622 -0.246 8.398 714 1HG ARG 95 2HG ARG 95 10.180 -1.923 8.291 715 2HG ARG 95 3HG ARG 95 10.057 -0.498 9.294 716 1HD ARG 95 2HD ARG 95 9.379 -2.029 10.826 717 2HD ARG 95 3HD ARG 95 7.788 -1.623 10.155 718 HE ARG 95 HE ARG 95 8.796 -3.764 8.633 719 1HH1 ARG 95 2HH2 ARG 95 7.694 -3.106 11.908 720 2HH1 ARG 95 1HH2 ARG 95 7.540 -4.763 12.393 721 1HH2 ARG 95 2HH1 ARG 95 8.643 -6.025 9.242 722 2HH2 ARG 95 1HH1 ARG 95 8.075 -6.462 10.819 723 H LEU 96 H LEU 96 8.138 0.882 5.617 724 HA LEU 96 HA LEU 96 5.434 1.581 5.555 725 1HB LEU 96 2HB LEU 96 7.742 2.492 3.884 726 2HB LEU 96 3HB LEU 96 6.105 3.158 3.785 727 HG LEU 96 HG LEU 96 7.833 3.207 6.324 728 1HD1 LEU 96 1HD1 LEU 96 7.818 5.625 5.856 729 2HD1 LEU 96 2HD1 LEU 96 8.506 4.716 4.493 730 3HD1 LEU 96 3HD1 LEU 96 6.834 5.328 4.398 731 1HD2 LEU 96 1HD2 LEU 96 5.594 3.105 7.122 732 2HD2 LEU 96 2HD2 LEU 96 5.964 4.820 7.045 733 3HD2 LEU 96 3HD2 LEU 96 4.980 4.071 5.764 734 H ASN 97 H ASN 97 7.370 -0.087 3.127 735 HA ASN 97 HA ASN 97 6.046 -0.268 0.853 736 1HB ASN 97 2HB ASN 97 7.988 -1.817 2.002 737 2HB ASN 97 3HB ASN 97 6.683 -2.959 2.043 738 1HD2 ASN 97 1HD2 ASN 97 9.280 -1.802 0.222 739 2HD2 ASN 97 2HD2 ASN 97 8.750 -2.363 -1.342 740 H LYS 98 H LYS 98 5.021 -2.049 3.773 741 HA LYS 98 HA LYS 98 2.293 -1.886 3.034 742 1HB LYS 98 2HB LYS 98 1.749 -4.335 3.001 743 2HB LYS 98 3HB LYS 98 2.302 -3.562 1.532 744 1HG LYS 98 2HG LYS 98 4.508 -4.686 3.168 745 2HG LYS 98 3HG LYS 98 3.328 -5.879 2.627 746 1HD LYS 98 2HD LYS 98 3.623 -5.327 0.287 747 2HD LYS 98 3HD LYS 98 4.462 -3.848 0.687 748 1HE LYS 98 2HE LYS 98 6.217 -5.175 0.044 749 2HE LYS 98 3HE LYS 98 6.266 -5.243 1.811 750 1HZ LYS 98 1HZ LYS 98 5.147 -7.405 1.621 751 2HZ LYS 98 2HZ LYS 98 5.147 -7.278 -0.024 752 3HZ LYS 98 3HZ LYS 98 6.565 -7.404 0.789 753 H ILE 99 H ILE 99 2.722 -0.814 5.110 754 HA ILE 99 HA ILE 99 2.750 -2.500 7.507 755 HB ILE 99 HB ILE 99 1.995 0.425 7.098 756 1HG1 ILE 99 2HG1 ILE 99 4.479 -1.026 8.105 757 2HG1 ILE 99 3HG1 ILE 99 4.307 0.045 6.708 758 1HG2 ILE 99 1HG2 ILE 99 0.789 -0.577 9.070 759 2HG2 ILE 99 2HG2 ILE 99 2.361 -1.087 9.720 760 3HG2 ILE 99 3HG2 ILE 99 1.964 0.636 9.521 761 1HD1 ILE 99 1HD1 ILE 99 4.213 0.847 9.638 762 2HD1 ILE 99 2HD1 ILE 99 5.458 1.230 8.451 763 3HD1 ILE 99 3HD1 ILE 99 3.835 1.945 8.287 764 H GLU 100 H GLU 100 0.153 -0.319 6.381 765 HA GLU 100 HA GLU 100 -1.825 -2.548 6.619 766 1HB GLU 100 2HB GLU 100 -1.838 0.163 7.861 767 2HB GLU 100 3HB GLU 100 -3.333 -0.262 7.014 768 1HG GLU 100 2HG GLU 100 -3.531 -2.347 8.237 769 2HG GLU 100 3HG GLU 100 -2.097 -1.922 9.198 770 H GLY 101 H GLY 101 -2.806 0.572 5.398 771 1HA GLY 101 2HA GLY 101 -3.444 -0.786 2.865 772 2HA GLY 101 3HA GLY 101 -4.099 0.738 3.485 773 H VAL 102 H VAL 102 -0.829 -0.538 2.765 774 HA VAL 102 HA VAL 102 -0.179 2.001 1.317 775 HB VAL 102 HB VAL 102 1.830 0.097 2.479 776 1HG1 VAL 102 1HG1 VAL 102 2.829 1.406 0.817 777 2HG1 VAL 102 2HG1 VAL 102 1.888 2.849 1.215 778 3HG1 VAL 102 3HG1 VAL 102 3.172 2.335 2.288 779 1HG2 VAL 102 1HG2 VAL 102 0.637 2.573 3.775 780 2HG2 VAL 102 2HG2 VAL 102 0.514 0.908 4.363 781 3HG2 VAL 102 3HG2 VAL 102 2.082 1.721 4.337 782 H ALA 103 H ALA 103 0.098 1.923 -0.799 783 HA ALA 103 HA ALA 103 -0.035 -0.650 -2.192 784 1HB ALA 103 1HB ALA 103 0.243 2.209 -3.210 785 2HB ALA 103 2HB ALA 103 0.198 0.764 -4.232 786 3HB ALA 103 3HB ALA 103 -1.209 1.181 -3.252 787 H ASN 104 H ASN 104 2.226 2.106 -1.701 788 HA ASN 104 HA ASN 104 4.552 0.340 -2.024 789 1HB ASN 104 2HB ASN 104 4.262 2.689 -3.947 790 2HB ASN 104 3HB ASN 104 5.600 1.551 -3.840 791 1HD2 ASN 104 1HD2 ASN 104 2.678 2.239 -5.446 792 2HD2 ASN 104 2HD2 ASN 104 2.362 0.596 -6.063 793 H ALA 105 H ALA 105 6.565 1.589 -1.783 794 HA ALA 105 HA ALA 105 6.381 4.213 -0.559 795 1HB ALA 105 1HB ALA 105 7.204 1.915 1.226 796 2HB ALA 105 2HB ALA 105 7.212 3.643 1.639 797 3HB ALA 105 3HB ALA 105 5.673 2.815 1.334 798 HA PRO 106 HA PRO 106 10.520 2.888 -2.375 799 1HB PRO 106 2HB PRO 106 10.756 4.639 -4.472 800 2HB PRO 106 3HB PRO 106 9.902 3.071 -4.584 801 1HG PRO 106 2HG PRO 106 8.707 5.794 -4.069 802 2HG PRO 106 3HG PRO 106 8.166 4.589 -5.272 803 1HD PRO 106 2HD PRO 106 6.928 4.784 -2.867 804 2HD PRO 106 3HD PRO 106 7.258 3.189 -3.586 805 H VAL 107 H VAL 107 12.394 3.801 -1.685 806 HA VAL 107 HA VAL 107 12.295 6.497 -0.447 807 HB VAL 107 HB VAL 107 13.974 4.099 0.408 808 1HG1 VAL 107 1HG1 VAL 107 14.095 5.451 2.556 809 2HG1 VAL 107 2HG1 VAL 107 14.922 6.207 1.181 810 3HG1 VAL 107 3HG1 VAL 107 13.324 6.782 1.696 811 1HG2 VAL 107 1HG2 VAL 107 11.636 3.492 0.773 812 2HG2 VAL 107 2HG2 VAL 107 12.399 3.875 2.316 813 3HG2 VAL 107 3HG2 VAL 107 11.322 5.044 1.545 814 H ASN 108 H ASN 108 14.134 7.848 -0.718 815 HA ASN 108 HA ASN 108 16.128 6.948 -2.773 816 1HB ASN 108 2HB ASN 108 15.144 9.704 -2.011 817 2HB ASN 108 3HB ASN 108 16.534 9.377 -3.048 818 1HD2 ASN 108 1HD2 ASN 108 16.216 8.653 -5.233 819 2HD2 ASN 108 2HD2 ASN 108 14.614 8.605 -5.942 820 H PHE 109 H PHE 109 18.224 7.228 -2.333 821 HA PHE 109 HA PHE 109 19.020 7.836 0.448 822 1HB PHE 109 2HB PHE 109 19.675 5.821 -1.383 823 2HB PHE 109 3HB PHE 109 21.039 6.911 -1.514 824 HD1 PHE 109 1HD PHE 109 19.125 4.625 0.640 825 HD2 PHE 109 2HD PHE 109 22.404 7.424 0.573 826 HE1 PHE 109 1HE PHE 109 19.765 3.933 2.898 827 HE2 PHE 109 2HE PHE 109 22.936 6.852 2.895 828 HZ PHE 109 HZ PHE 109 21.685 5.037 4.069 829 H ALA 110 H ALA 110 18.473 9.756 -2.010 830 HA ALA 110 HA ALA 110 21.144 11.158 -2.106 831 1HB ALA 110 1HB ALA 110 20.382 12.035 -4.271 832 2HB ALA 110 2HB ALA 110 20.431 10.260 -4.276 833 3HB ALA 110 3HB ALA 110 18.873 11.107 -4.142 834 H LEU 111 H LEU 111 17.612 11.585 -2.127 835 HA LEU 111 HA LEU 111 17.814 14.375 -1.221 836 1HB LEU 111 2HB LEU 111 15.378 12.657 -1.706 837 2HB LEU 111 3HB LEU 111 15.467 14.430 -1.669 838 HG LEU 111 HG LEU 111 16.492 12.486 -3.784 839 1HD1 LEU 111 1HD1 LEU 111 14.866 13.613 -5.225 840 2HD1 LEU 111 2HD1 LEU 111 14.073 12.951 -3.785 841 3HD1 LEU 111 3HD1 LEU 111 14.401 14.694 -3.894 842 1HD2 LEU 111 1HD2 LEU 111 18.138 14.340 -3.634 843 2HD2 LEU 111 2HD2 LEU 111 17.157 14.515 -5.094 844 3HD2 LEU 111 3HD2 LEU 111 16.819 15.530 -3.676 845 H GLU 112 H GLU 112 17.478 11.187 0.120 846 HA GLU 112 HA GLU 112 16.911 10.288 2.051 847 1HB GLU 112 2HB GLU 112 17.399 13.016 3.305 848 2HB GLU 112 3HB GLU 112 17.284 11.465 4.140 849 1HG GLU 112 2HG GLU 112 19.210 10.630 2.671 850 2HG GLU 112 3HG GLU 112 19.411 12.300 2.112 851 H THR 113 H THR 113 14.924 10.374 0.598 852 HA THR 113 HA THR 113 12.580 11.506 2.070 853 HB THR 113 HB THR 113 11.670 12.089 -0.164 854 HG1 THR 113 1HG THR 113 13.016 10.484 -1.291 855 1HG2 THR 113 1HG2 THR 113 14.463 13.215 0.232 856 2HG2 THR 113 2HG2 THR 113 13.175 13.958 -0.689 857 3HG2 THR 113 3HG2 THR 113 13.067 13.757 1.106 858 H VAL 114 H VAL 114 10.662 10.329 1.814 859 HA VAL 114 HA VAL 114 10.770 7.854 0.179 860 HB VAL 114 HB VAL 114 10.921 7.019 2.397 861 1HG1 VAL 114 1HG1 VAL 114 8.373 8.425 3.206 862 2HG1 VAL 114 2HG1 VAL 114 9.470 7.474 4.213 863 3HG1 VAL 114 3HG1 VAL 114 9.979 9.063 3.619 864 1HG2 VAL 114 1HG2 VAL 114 9.017 5.576 2.451 865 2HG2 VAL 114 2HG2 VAL 114 7.999 6.742 1.590 866 3HG2 VAL 114 3HG2 VAL 114 9.327 5.928 0.749 867 H THR 115 H THR 115 9.250 7.781 -1.326 868 HA THR 115 HA THR 115 6.956 9.681 -1.183 869 HB THR 115 HB THR 115 7.668 7.546 -3.226 870 HG1 THR 115 1HG THR 115 8.417 9.310 -4.443 871 1HG2 THR 115 1HG2 THR 115 5.714 9.888 -3.335 872 2HG2 THR 115 2HG2 THR 115 6.057 8.739 -4.650 873 3HG2 THR 115 3HG2 THR 115 5.276 8.172 -3.167 874 H VAL 116 H VAL 116 5.191 8.906 -0.041 875 HA VAL 116 HA VAL 116 4.983 5.939 0.390 876 HB VAL 116 HB VAL 116 5.339 7.202 2.445 877 1HG1 VAL 116 1HG1 VAL 116 4.148 9.296 1.897 878 2HG1 VAL 116 2HG1 VAL 116 2.600 8.448 2.015 879 3HG1 VAL 116 3HG1 VAL 116 3.645 8.592 3.427 880 1HG2 VAL 116 1HG2 VAL 116 3.429 6.169 3.670 881 2HG2 VAL 116 2HG2 VAL 116 2.660 5.810 2.114 882 3HG2 VAL 116 3HG2 VAL 116 4.216 5.068 2.527 883 H GLU 117 H GLU 117 3.560 5.019 -0.941 884 HA GLU 117 HA GLU 117 1.269 6.633 -1.970 885 1HB GLU 117 2HB GLU 117 2.657 4.083 -2.930 886 2HB GLU 117 3HB GLU 117 1.074 4.589 -3.527 887 1HG GLU 117 2HG GLU 117 1.957 6.646 -4.382 888 2HG GLU 117 3HG GLU 117 3.580 6.300 -3.738 889 H TYR 118 H TYR 118 -0.129 6.410 -0.167 890 HA TYR 118 HA TYR 118 -1.040 3.679 0.442 891 1HB TYR 118 2HB TYR 118 -0.821 3.912 2.781 892 2HB TYR 118 3HB TYR 118 0.753 4.454 2.201 893 HD1 TYR 118 HD1 TYR 118 0.746 7.178 1.666 894 HD2 TYR 118 HD2 TYR 118 -1.906 5.156 4.385 895 HE1 TYR 118 HE1 TYR 118 0.333 9.308 2.836 896 HE2 TYR 118 HE2 TYR 118 -2.281 7.280 5.584 897 HH TYR 118 HH TYR 118 -0.726 10.339 4.585 898 H ASN 119 H ASN 119 -3.122 3.664 1.521 899 HA ASN 119 HA ASN 119 -4.805 5.667 0.288 900 1HB ASN 119 2HB ASN 119 -5.620 3.410 0.469 901 2HB ASN 119 3HB ASN 119 -5.453 3.437 2.237 902 1HD2 ASN 119 1HD2 ASN 119 -7.956 2.835 2.029 903 2HD2 ASN 119 2HD2 ASN 119 -8.987 4.209 1.915 904 HA PRO 120 HA PRO 120 -4.227 8.237 4.014 905 1HB PRO 120 2HB PRO 120 -5.076 10.629 3.098 906 2HB PRO 120 3HB PRO 120 -3.607 9.871 2.422 907 1HG PRO 120 2HG PRO 120 -6.422 9.713 1.291 908 2HG PRO 120 3HG PRO 120 -4.943 10.250 0.436 909 1HD PRO 120 2HD PRO 120 -5.860 7.684 0.291 910 2HD PRO 120 3HD PRO 120 -4.125 8.076 0.305 911 H LYS 121 H LYS 121 -6.861 6.637 3.053 912 HA LYS 121 HA LYS 121 -8.706 8.066 4.951 913 1HB LYS 121 2HB LYS 121 -9.316 5.782 3.082 914 2HB LYS 121 3HB LYS 121 -10.461 6.736 4.030 915 1HG LYS 121 2HG LYS 121 -8.751 7.739 1.712 916 2HG LYS 121 3HG LYS 121 -10.460 7.314 1.639 917 1HD LYS 121 2HD LYS 121 -10.948 9.055 3.378 918 2HD LYS 121 3HD LYS 121 -9.253 9.556 3.344 919 1HE LYS 121 2HE LYS 121 -11.193 9.625 0.973 920 2HE LYS 121 3HE LYS 121 -10.723 11.019 1.955 921 1HZ LYS 121 1HZ LYS 121 -9.447 10.908 -0.061 922 2HZ LYS 121 2HZ LYS 121 -8.457 10.694 1.236 923 3HZ LYS 121 3HZ LYS 121 -8.892 9.405 0.305 924 H GLU 122 H GLU 122 -7.647 4.710 4.150 925 HA GLU 122 HA GLU 122 -8.418 3.526 6.553 926 1HB GLU 122 2HB GLU 122 -6.303 2.893 4.502 927 2HB GLU 122 3HB GLU 122 -6.163 2.112 6.075 928 1HG GLU 122 2HG GLU 122 -7.283 0.663 4.560 929 2HG GLU 122 3HG GLU 122 -8.357 1.055 5.870 930 H ALA 123 H ALA 123 -5.284 5.080 5.776 931 HA ALA 123 HA ALA 123 -4.682 5.306 8.705 932 1HB ALA 123 1HB ALA 123 -3.294 3.545 7.680 933 2HB ALA 123 2HB ALA 123 -2.743 4.690 6.443 934 3HB ALA 123 3HB ALA 123 -2.311 4.938 8.146 935 H SER 124 H SER 124 -2.603 7.014 8.693 936 HA SER 124 HA SER 124 -3.000 9.222 6.852 937 1HB SER 124 2HB SER 124 -3.666 10.841 8.633 938 2HB SER 124 3HB SER 124 -4.914 9.629 8.312 939 HG SER 124 HG SER 124 -4.174 8.479 10.135 940 H VAL 125 H VAL 125 -1.502 11.033 7.496 941 HA VAL 125 HA VAL 125 1.099 10.555 7.900 942 HB VAL 125 HB VAL 125 -0.330 12.861 9.325 943 1HG1 VAL 125 1HG1 VAL 125 2.455 12.616 8.211 944 2HG1 VAL 125 2HG1 VAL 125 1.701 14.140 8.712 945 3HG1 VAL 125 3HG1 VAL 125 1.944 12.857 9.894 946 1HG2 VAL 125 1HG2 VAL 125 0.041 14.113 7.128 947 2HG2 VAL 125 2HG2 VAL 125 0.375 12.553 6.363 948 3HG2 VAL 125 3HG2 VAL 125 -1.223 12.895 7.053 949 H SER 126 H SER 126 -1.170 10.955 10.703 950 HA SER 126 HA SER 126 0.607 10.703 12.767 951 1HB SER 126 2HB SER 126 -2.152 9.417 12.624 952 2HB SER 126 3HB SER 126 -1.324 10.066 14.058 953 HG SER 126 HG SER 126 -2.861 11.549 13.102 954 H ASP 127 H ASP 127 -0.844 7.997 10.867 955 HA ASP 127 HA ASP 127 0.151 5.855 12.536 956 1HB ASP 127 2HB ASP 127 -1.650 5.384 10.989 957 2HB ASP 127 3HB ASP 127 -0.712 6.005 9.615 958 H LEU 128 H LEU 128 1.271 7.486 9.612 959 HA LEU 128 HA LEU 128 3.601 5.912 9.133 960 1HB LEU 128 2HB LEU 128 2.922 8.768 8.379 961 2HB LEU 128 3HB LEU 128 4.270 7.869 7.720 962 HG LEU 128 HG LEU 128 1.335 7.004 7.465 963 1HD1 LEU 128 1HD1 LEU 128 3.266 8.452 5.642 964 2HD1 LEU 128 2HD1 LEU 128 1.759 7.700 5.067 965 3HD1 LEU 128 3HD1 LEU 128 1.692 9.031 6.238 966 1HD2 LEU 128 1HD2 LEU 128 2.224 5.493 5.702 967 2HD2 LEU 128 2HD2 LEU 128 3.875 5.999 6.122 968 3HD2 LEU 128 3HD2 LEU 128 2.887 5.065 7.275 969 H LYS 129 H LYS 129 3.125 8.961 10.876 970 HA LYS 129 HA LYS 129 5.825 9.428 11.668 971 1HB LYS 129 2HB LYS 129 3.198 10.139 13.042 972 2HB LYS 129 3HB LYS 129 4.764 10.816 13.461 973 1HG LYS 129 2HG LYS 129 4.277 11.043 10.569 974 2HG LYS 129 3HG LYS 129 2.923 11.706 11.494 975 1HD LYS 129 2HD LYS 129 4.205 13.308 12.557 976 2HD LYS 129 3HD LYS 129 5.747 12.467 12.207 977 1HE LYS 129 2HE LYS 129 5.265 12.950 9.715 978 2HE LYS 129 3HE LYS 129 3.993 14.052 10.281 979 1HZ LYS 129 1HZ LYS 129 6.880 14.179 10.828 980 2HZ LYS 129 2HZ LYS 129 5.997 15.222 9.913 981 3HZ LYS 129 3HZ LYS 129 5.772 15.185 11.546 982 H GLU 130 H GLU 130 3.117 7.723 13.328 983 HA GLU 130 HA GLU 130 4.602 7.035 15.639 984 1HB GLU 130 2HB GLU 130 2.080 7.121 15.145 985 2HB GLU 130 3HB GLU 130 2.227 5.482 14.514 986 1HG GLU 130 2HG GLU 130 3.265 6.177 17.303 987 2HG GLU 130 3HG GLU 130 1.527 6.084 17.007 988 H ALA 131 H ALA 131 4.071 5.314 12.561 989 HA ALA 131 HA ALA 131 5.424 2.914 13.175 990 1HB ALA 131 1HB ALA 131 5.226 4.354 10.492 991 2HB ALA 131 2HB ALA 131 5.676 2.660 10.748 992 3HB ALA 131 3HB ALA 131 4.040 3.217 11.161 993 H VAL 132 H VAL 132 6.802 5.988 11.589 994 HA VAL 132 HA VAL 132 9.383 4.802 11.630 995 HB VAL 132 HB VAL 132 8.298 7.554 11.169 996 1HG1 VAL 132 1HG1 VAL 132 10.713 8.060 10.354 997 2HG1 VAL 132 2HG1 VAL 132 10.431 8.046 12.090 998 3HG1 VAL 132 3HG1 VAL 132 11.189 6.641 11.309 999 1HG2 VAL 132 1HG2 VAL 132 9.174 6.870 8.834 1000 2HG2 VAL 132 2HG2 VAL 132 9.560 5.306 9.531 1001 3HG2 VAL 132 3HG2 VAL 132 7.880 5.839 9.459 1002 H ASP 133 H ASP 133 7.602 6.704 14.021 1003 HA ASP 133 HA ASP 133 9.713 7.297 15.707 1004 1HB ASP 133 2HB ASP 133 7.284 7.966 16.001 1005 2HB ASP 133 3HB ASP 133 6.965 6.369 16.669 1006 H LYS 134 H LYS 134 7.627 4.399 15.632 1007 HA LYS 134 HA LYS 134 9.051 2.818 17.517 1008 1HB LYS 134 2HB LYS 134 7.252 2.142 15.173 1009 2HB LYS 134 3HB LYS 134 8.015 0.889 16.151 1010 1HG LYS 134 2HG LYS 134 6.971 1.665 18.174 1011 2HG LYS 134 3HG LYS 134 6.368 3.129 17.360 1012 1HD LYS 134 2HD LYS 134 4.958 1.836 15.905 1013 2HD LYS 134 3HD LYS 134 5.545 0.289 16.559 1014 1HE LYS 134 2HE LYS 134 4.414 0.605 18.647 1015 2HE LYS 134 3HE LYS 134 4.395 2.364 18.434 1016 1HZ LYS 134 1HZ LYS 134 2.494 0.496 17.239 1017 2HZ LYS 134 2HZ LYS 134 2.329 2.021 17.956 1018 3HZ LYS 134 3HZ LYS 134 2.910 1.948 16.513 1019 H LEU 135 H LEU 135 9.605 3.136 13.971 1020 HA LEU 135 HA LEU 135 11.766 1.219 13.927 1021 1HB LEU 135 2HB LEU 135 10.900 3.465 12.141 1022 2HB LEU 135 3HB LEU 135 12.528 2.878 11.949 1023 HG LEU 135 HG LEU 135 10.846 1.865 10.413 1024 1HD1 LEU 135 1HD1 LEU 135 12.429 -0.044 12.197 1025 2HD1 LEU 135 2HD1 LEU 135 11.846 -0.396 10.566 1026 3HD1 LEU 135 3HD1 LEU 135 13.048 0.876 10.813 1027 1HD2 LEU 135 1HD2 LEU 135 9.271 0.234 11.179 1028 2HD2 LEU 135 2HD2 LEU 135 9.975 0.177 12.804 1029 3HD2 LEU 135 3HD2 LEU 135 9.076 1.597 12.243 1030 H GLY 136 H GLY 136 11.639 4.565 15.014 1031 1HA GLY 136 2HA GLY 136 13.106 5.403 16.609 1032 2HA GLY 136 3HA GLY 136 14.332 4.205 16.186 1033 H TYR 137 H TYR 137 12.522 6.427 14.033 1034 HA TYR 137 HA TYR 137 14.864 8.207 13.750 1035 1HB TYR 137 2HB TYR 137 13.311 7.303 11.308 1036 2HB TYR 137 3HB TYR 137 14.790 8.232 11.356 1037 HD1 TYR 137 HD1 TYR 137 13.440 5.026 10.774 1038 HD2 TYR 137 HD2 TYR 137 16.831 6.925 12.640 1039 HE1 TYR 137 HE1 TYR 137 14.627 2.863 10.826 1040 HE2 TYR 137 HE2 TYR 137 17.972 4.744 12.777 1041 HH TYR 137 HH TYR 137 16.352 1.715 11.807 1042 H LYS 138 H LYS 138 13.755 10.236 12.226 1043 HA LYS 138 HA LYS 138 10.967 10.536 13.283 1044 1HB LYS 138 2HB LYS 138 11.325 12.843 13.624 1045 2HB LYS 138 3HB LYS 138 12.552 11.937 14.529 1046 1HG LYS 138 2HG LYS 138 14.144 12.322 12.597 1047 2HG LYS 138 3HG LYS 138 12.890 13.356 11.868 1048 1HD LYS 138 2HD LYS 138 12.972 14.534 14.198 1049 2HD LYS 138 3HD LYS 138 14.602 13.782 14.296 1050 1HE LYS 138 2HE LYS 138 15.212 14.750 12.182 1051 2HE LYS 138 3HE LYS 138 13.587 15.480 11.965 1052 1HZ LYS 138 1HZ LYS 138 15.831 16.214 13.714 1053 2HZ LYS 138 2HZ LYS 138 15.207 16.944 12.367 1054 3HZ LYS 138 3HZ LYS 138 14.342 16.959 13.794 1055 H LEU 139 H LEU 139 9.478 11.052 11.842 1056 HA LEU 139 HA LEU 139 10.308 11.156 9.007 1057 1HB LEU 139 2HB LEU 139 8.711 9.416 10.222 1058 2HB LEU 139 3HB LEU 139 7.485 10.630 9.887 1059 HG LEU 139 HG LEU 139 8.037 10.441 7.487 1060 1HD1 LEU 139 1HD1 LEU 139 9.464 8.444 6.741 1061 2HD1 LEU 139 2HD1 LEU 139 10.225 9.978 7.146 1062 3HD1 LEU 139 3HD1 LEU 139 10.277 8.657 8.307 1063 1HD2 LEU 139 1HD2 LEU 139 7.225 8.011 8.969 1064 2HD2 LEU 139 2HD2 LEU 139 6.255 9.209 8.122 1065 3HD2 LEU 139 3HD2 LEU 139 7.240 8.069 7.187 1066 H LYS 140 H LYS 140 9.839 12.893 7.780 1067 HA LYS 140 HA LYS 140 8.446 15.271 8.942 1068 1HB LYS 140 2HB LYS 140 11.101 14.877 7.553 1069 2HB LYS 140 3HB LYS 140 10.252 16.413 7.377 1070 1HG LYS 140 2HG LYS 140 10.809 15.291 10.143 1071 2HG LYS 140 3HG LYS 140 12.115 15.976 9.164 1072 1HD LYS 140 2HD LYS 140 10.696 18.041 8.799 1073 2HD LYS 140 3HD LYS 140 9.601 17.439 10.064 1074 1HE LYS 140 2HE LYS 140 11.453 17.493 11.699 1075 2HE LYS 140 3HE LYS 140 12.622 17.853 10.414 1076 1HZ LYS 140 1HZ LYS 140 11.543 19.940 10.048 1077 2HZ LYS 140 2HZ LYS 140 10.464 19.660 11.262 1078 3HZ LYS 140 3HZ LYS 140 12.068 19.819 11.596 1079 H LEU 141 H LEU 141 7.873 16.764 6.949 1080 HA LEU 141 HA LEU 141 6.771 15.052 4.773 1081 1HB LEU 141 2HB LEU 141 5.812 17.799 5.526 1082 2HB LEU 141 3HB LEU 141 5.037 16.510 4.591 1083 HG LEU 141 HG LEU 141 3.835 16.642 6.499 1084 1HD1 LEU 141 1HD1 LEU 141 3.936 14.555 7.589 1085 2HD1 LEU 141 2HD1 LEU 141 4.512 14.307 5.932 1086 3HD1 LEU 141 3HD1 LEU 141 5.666 14.364 7.283 1087 1HD2 LEU 141 1HD2 LEU 141 4.528 16.771 8.780 1088 2HD2 LEU 141 2HD2 LEU 141 6.243 16.701 8.334 1089 3HD2 LEU 141 3HD2 LEU 141 5.244 18.082 7.839 1090 H LYS 142 H LYS 142 6.866 16.026 2.588 1091 HA LYS 142 HA LYS 142 9.183 17.773 2.150 1092 1HB LYS 142 2HB LYS 142 7.524 16.040 0.556 1093 2HB LYS 142 3HB LYS 142 7.496 17.593 -0.199 1094 1HG LYS 142 2HG LYS 142 9.202 16.498 -1.242 1095 2HG LYS 142 3HG LYS 142 10.004 17.685 -0.220 1096 1HD LYS 142 2HD LYS 142 9.542 14.940 0.911 1097 2HD LYS 142 3HD LYS 142 10.667 14.998 -0.434 1098 1HE LYS 142 2HE LYS 142 10.965 16.742 2.076 1099 2HE LYS 142 3HE LYS 142 11.562 15.085 1.914 1100 1HZ LYS 142 1HZ LYS 142 12.467 17.428 0.425 1101 2HZ LYS 142 2HZ LYS 142 13.175 16.574 1.680 1102 3HZ LYS 142 3HZ LYS 142 13.002 15.878 0.179 1103 H GLY 143 H GLY 143 8.389 19.365 3.693 1104 1HA GLY 143 2HA GLY 143 7.890 21.614 3.912 1105 2HA GLY 143 3HA GLY 143 7.290 21.670 2.250 1106 H GLU 144 H GLU 144 5.293 19.960 2.064 1107 HA GLU 144 HA GLU 144 3.072 19.831 2.325 1108 1HB GLU 144 2HB GLU 144 4.060 18.376 4.111 1109 2HB GLU 144 3HB GLU 144 3.628 19.610 5.301 1110 1HG GLU 144 2HG GLU 144 1.314 18.999 3.629 1111 2HG GLU 144 3HG GLU 144 2.048 17.477 4.146 1112 H GLN 145 H GLN 145 3.761 22.284 1.888 1113 HA GLN 145 HA GLN 145 1.763 24.042 2.964 1114 1HB GLN 145 2HB GLN 145 4.454 24.003 4.243 1115 2HB GLN 145 3HB GLN 145 3.997 25.593 3.651 1116 1HG GLN 145 2HG GLN 145 2.081 24.010 5.395 1117 2HG GLN 145 3HG GLN 145 3.385 24.978 6.073 1118 1HE2 GLN 145 1HE2 GLN 145 3.328 27.287 5.869 1119 2HE2 GLN 145 2HE2 GLN 145 1.837 28.098 5.416 1120 H ASP 146 H ASP 146 5.047 23.919 1.545 1121 HA ASP 146 HA ASP 146 4.225 25.902 -0.534 1122 1HB ASP 146 2HB ASP 146 6.899 25.409 0.854 1123 2HB ASP 146 3HB ASP 146 6.681 26.475 -0.540 1124 H SER 147 H SER 147 4.977 22.730 -0.117 1125 HA SER 147 HA SER 147 5.479 22.250 -2.989 1126 1HB SER 147 2HB SER 147 7.473 20.770 -2.206 1127 2HB SER 147 3HB SER 147 7.710 22.523 -2.300 1128 HG SER 147 HG SER 147 8.342 21.312 -0.263 1129 H ILE 148 H ILE 148 3.313 21.806 -1.091 1130 HA ILE 148 HA ILE 148 2.943 19.279 -0.087 1131 HB ILE 148 HB ILE 148 0.906 20.861 -1.714 1132 1HG1 ILE 148 2HG1 ILE 148 1.323 20.794 1.302 1133 2HG1 ILE 148 3HG1 ILE 148 1.892 22.103 0.256 1134 1HG2 ILE 148 1HG2 ILE 148 -0.801 19.569 -0.461 1135 2HG2 ILE 148 2HG2 ILE 148 0.207 18.481 -1.391 1136 3HG2 ILE 148 3HG2 ILE 148 0.482 18.651 0.352 1137 1HD1 ILE 148 1HD1 ILE 148 -0.117 22.837 1.237 1138 2HD1 ILE 148 2HD1 ILE 148 -0.478 22.494 -0.465 1139 3HD1 ILE 148 3HD1 ILE 148 -0.988 21.361 0.813 1140 H GLU 149 H GLU 149 1.920 20.048 -3.464 1141 HA GLU 149 HA GLU 149 3.265 18.047 -4.812 1142 1HB GLU 149 2HB GLU 149 0.890 17.020 -3.429 1143 2HB GLU 149 3HB GLU 149 0.609 16.979 -5.165 1144 1HG GLU 149 2HG GLU 149 3.144 15.835 -3.927 1145 2HG GLU 149 3HG GLU 149 1.649 14.912 -4.097 1146 H GLY 150 H GLY 150 2.228 17.845 -7.046 1147 1HA GLY 150 2HA GLY 150 1.190 20.510 -7.938 1148 2HA GLY 150 3HA GLY 150 1.855 19.216 -8.944 1149 H ARG 151 H ARG 151 -1.008 20.402 -7.306 1150 HA ARG 151 HA ARG 151 -2.710 18.127 -7.873 1151 1HB ARG 151 2HB ARG 151 -3.117 20.067 -6.165 1152 2HB ARG 151 3HB ARG 151 -3.618 21.002 -7.587 1153 1HG ARG 151 2HG ARG 151 -5.104 18.787 -8.031 1154 2HG ARG 151 3HG ARG 151 -4.885 18.587 -6.287 1155 1HD ARG 151 2HD ARG 151 -5.828 20.914 -5.987 1156 2HD ARG 151 3HD ARG 151 -6.023 20.992 -7.761 1157 HE ARG 151 HE ARG 151 -7.265 18.651 -6.576 1158 1HH1 ARG 151 2HH2 ARG 151 -7.782 22.064 -7.264 1159 2HH1 ARG 151 1HH2 ARG 151 -9.515 21.967 -7.340 1160 1HH2 ARG 151 2HH1 ARG 151 -9.563 18.470 -6.632 1161 2HH2 ARG 151 1HH1 ARG 151 -10.553 19.858 -6.946 Start of MODEL 3 1 1H MET 1 H1 MET 1 -0.647 -22.789 12.394 2 2H MET 1 H2 MET 1 -1.446 -21.682 13.355 3 3H MET 1 H3 MET 1 -2.116 -22.239 11.941 4 HA MET 1 HA MET 1 -1.259 -20.162 11.344 5 1HB MET 1 2HB MET 1 1.250 -21.152 12.783 6 2HB MET 1 3HB MET 1 1.195 -19.730 11.733 7 1HG MET 1 2HG MET 1 -0.392 -18.618 13.223 8 2HG MET 1 3HG MET 1 -0.491 -20.052 14.251 9 1HE MET 1 1HE MET 1 1.779 -17.089 13.059 10 2HE MET 1 2HE MET 1 3.246 -17.356 14.024 11 3HE MET 1 3HE MET 1 2.854 -18.465 12.699 12 H LEU 2 H LEU 2 -0.244 -20.002 9.187 13 HA LEU 2 HA LEU 2 1.497 -21.980 8.173 14 1HB LEU 2 2HB LEU 2 -1.179 -22.890 8.298 15 2HB LEU 2 3HB LEU 2 -1.029 -22.338 6.645 16 HG LEU 2 HG LEU 2 1.036 -24.180 7.929 17 1HD1 LEU 2 1HD1 LEU 2 -1.511 -24.979 6.469 18 2HD1 LEU 2 2HD1 LEU 2 -0.184 -26.073 6.925 19 3HD1 LEU 2 3HD1 LEU 2 -1.131 -25.264 8.183 20 1HD2 LEU 2 1HD2 LEU 2 1.662 -23.056 5.781 21 2HD2 LEU 2 2HD2 LEU 2 1.482 -24.807 5.584 22 3HD2 LEU 2 3HD2 LEU 2 0.197 -23.718 5.025 23 H SER 3 H SER 3 2.591 -20.833 6.698 24 HA SER 3 HA SER 3 3.161 -19.529 5.000 25 1HB SER 3 2HB SER 3 0.222 -19.085 4.376 26 2HB SER 3 3HB SER 3 1.609 -18.860 3.300 27 HG SER 3 HG SER 3 0.626 -20.893 2.965 28 H GLU 4 H GLU 4 4.040 -17.532 5.139 29 HA GLU 4 HA GLU 4 2.841 -15.501 6.853 30 1HB GLU 4 2HB GLU 4 5.490 -16.186 5.977 31 2HB GLU 4 3HB GLU 4 5.176 -14.546 5.431 32 1HG GLU 4 2HG GLU 4 6.149 -14.450 7.619 33 2HG GLU 4 3HG GLU 4 4.460 -13.951 7.764 34 H GLN 5 H GLN 5 0.991 -15.894 5.210 35 HA GLN 5 HA GLN 5 0.784 -14.288 2.830 36 1HB GLN 5 2HB GLN 5 -1.112 -15.409 4.943 37 2HB GLN 5 3HB GLN 5 -1.721 -14.367 3.661 38 1HG GLN 5 2HG GLN 5 -0.021 -16.829 3.050 39 2HG GLN 5 3HG GLN 5 -1.781 -16.912 3.242 40 1HE2 GLN 5 1HE2 GLN 5 0.440 -16.828 0.805 41 2HE2 GLN 5 2HE2 GLN 5 -0.608 -16.084 -0.388 42 H LYS 6 H LYS 6 -0.286 -12.179 2.687 43 HA LYS 6 HA LYS 6 -0.528 -10.733 5.259 44 1HB LYS 6 2HB LYS 6 0.819 -8.902 4.633 45 2HB LYS 6 3HB LYS 6 1.774 -10.352 4.376 46 1HG LYS 6 2HG LYS 6 2.240 -9.088 2.515 47 2HG LYS 6 3HG LYS 6 1.046 -10.237 1.885 48 1HD LYS 6 2HD LYS 6 -0.503 -8.580 1.467 49 2HD LYS 6 3HD LYS 6 -0.135 -7.759 3.000 50 1HE LYS 6 2HE LYS 6 1.916 -6.834 2.047 51 2HE LYS 6 3HE LYS 6 1.525 -7.582 0.476 52 1HZ LYS 6 1HZ LYS 6 -0.275 -5.708 1.887 53 2HZ LYS 6 2HZ LYS 6 0.829 -5.184 0.777 54 3HZ LYS 6 3HZ LYS 6 -0.345 -6.221 0.306 55 H GLU 7 H GLU 7 -1.977 -9.112 5.255 56 HA GLU 7 HA GLU 7 -3.911 -9.067 3.034 57 1HB GLU 7 2HB GLU 7 -5.362 -7.922 4.660 58 2HB GLU 7 3HB GLU 7 -4.894 -9.549 5.163 59 1HG GLU 7 2HG GLU 7 -3.430 -7.092 6.211 60 2HG GLU 7 3HG GLU 7 -4.915 -7.706 6.939 61 H ILE 8 H ILE 8 -4.580 -7.135 2.091 62 HA ILE 8 HA ILE 8 -3.452 -4.607 3.166 63 HB ILE 8 HB ILE 8 -2.013 -4.880 1.439 64 1HG1 ILE 8 2HG1 ILE 8 -3.391 -2.725 1.368 65 2HG1 ILE 8 3HG1 ILE 8 -2.218 -3.139 0.114 66 1HG2 ILE 8 1HG2 ILE 8 -2.802 -6.821 0.304 67 2HG2 ILE 8 2HG2 ILE 8 -4.219 -5.961 -0.335 68 3HG2 ILE 8 3HG2 ILE 8 -2.587 -5.533 -0.894 69 1HD1 ILE 8 1HD1 ILE 8 -4.277 -2.182 -0.865 70 2HD1 ILE 8 2HD1 ILE 8 -3.994 -3.808 -1.447 71 3HD1 ILE 8 3HD1 ILE 8 -5.238 -3.503 -0.219 72 H ALA 9 H ALA 9 -5.087 -3.330 3.697 73 HA ALA 9 HA ALA 9 -7.724 -3.670 2.384 74 1HB ALA 9 1HB ALA 9 -7.748 -3.973 4.825 75 2HB ALA 9 2HB ALA 9 -6.902 -2.427 5.050 76 3HB ALA 9 3HB ALA 9 -8.551 -2.448 4.391 77 H MET 10 H MET 10 -8.227 -2.084 0.938 78 HA MET 10 HA MET 10 -7.418 0.664 1.515 79 1HB MET 10 2HB MET 10 -6.410 -0.797 -0.957 80 2HB MET 10 3HB MET 10 -6.727 0.929 -1.000 81 1HG MET 10 2HG MET 10 -5.194 1.020 1.151 82 2HG MET 10 3HG MET 10 -4.587 -0.510 0.557 83 1HE MET 10 1HE MET 10 -4.949 0.167 -2.657 84 2HE MET 10 2HE MET 10 -3.411 0.923 -3.096 85 3HE MET 10 3HE MET 10 -3.404 -0.570 -2.140 86 H GLN 11 H GLN 11 -8.473 2.213 -0.113 87 HA GLN 11 HA GLN 11 -11.179 1.216 -0.771 88 1HB GLN 11 2HB GLN 11 -9.973 3.923 -0.277 89 2HB GLN 11 3HB GLN 11 -11.387 3.791 -1.352 90 1HG GLN 11 2HG GLN 11 -12.709 2.748 0.352 91 2HG GLN 11 3HG GLN 11 -11.306 2.535 1.397 92 1HE2 GLN 11 1HE2 GLN 11 -11.261 3.961 3.058 93 2HE2 GLN 11 2HE2 GLN 11 -12.064 5.536 3.055 94 H VAL 12 H VAL 12 -11.994 1.209 -2.828 95 HA VAL 12 HA VAL 12 -10.084 1.532 -5.087 96 HB VAL 12 HB VAL 12 -10.326 -0.812 -4.688 97 1HG1 VAL 12 1HG1 VAL 12 -12.309 -0.907 -3.244 98 2HG1 VAL 12 2HG1 VAL 12 -13.324 -0.320 -4.577 99 3HG1 VAL 12 3HG1 VAL 12 -12.572 -1.927 -4.664 100 1HG2 VAL 12 1HG2 VAL 12 -11.321 -1.605 -6.728 101 2HG2 VAL 12 2HG2 VAL 12 -12.290 -0.131 -6.893 102 3HG2 VAL 12 3HG2 VAL 12 -10.517 -0.057 -7.052 103 H SER 13 H SER 13 -11.081 2.345 -7.004 104 HA SER 13 HA SER 13 -13.670 3.774 -6.523 105 1HB SER 13 2HB SER 13 -11.566 4.361 -8.598 106 2HB SER 13 3HB SER 13 -12.908 5.384 -8.041 107 HG SER 13 HG SER 13 -10.834 5.992 -7.116 108 H GLY 14 H GLY 14 -14.892 4.193 -8.575 109 1HA GLY 14 2HA GLY 14 -15.704 3.695 -10.670 110 2HA GLY 14 3HA GLY 14 -14.364 2.578 -10.939 111 H MET 15 H MET 15 -15.496 1.564 -8.044 112 HA MET 15 HA MET 15 -16.736 -0.741 -8.988 113 1HB MET 15 2HB MET 15 -15.844 0.284 -6.466 114 2HB MET 15 3HB MET 15 -17.555 -0.055 -6.246 115 1HG MET 15 2HG MET 15 -16.914 -2.303 -7.518 116 2HG MET 15 3HG MET 15 -15.317 -1.930 -6.869 117 1HE MET 15 1HE MET 15 -16.128 -0.551 -4.089 118 2HE MET 15 2HE MET 15 -16.157 -1.956 -2.994 119 3HE MET 15 3HE MET 15 -14.890 -1.830 -4.213 120 H THR 16 H THR 16 -18.417 -0.411 -10.350 121 HA THR 16 HA THR 16 -20.479 1.575 -9.773 122 HB THR 16 HB THR 16 -20.266 -0.485 -11.999 123 HG1 THR 16 1HG THR 16 -18.523 1.196 -11.683 124 1HG2 THR 16 1HG2 THR 16 -21.900 2.075 -11.761 125 2HG2 THR 16 2HG2 THR 16 -21.698 1.118 -13.243 126 3HG2 THR 16 3HG2 THR 16 -22.544 0.420 -11.851 127 H CYS 17 H CYS 17 -19.960 -1.799 -9.101 128 HA CYS 17 HA CYS 17 -22.238 -2.047 -7.476 129 1HB CYS 17 2HB CYS 17 -23.236 -2.185 -9.974 130 2HB CYS 17 3HB CYS 17 -22.607 -3.834 -9.902 131 HG CYS 17 HG CYS 17 -23.958 -4.603 -7.872 132 H ALA 18 H ALA 18 -22.425 -4.365 -6.684 133 HA ALA 18 HA ALA 18 -20.200 -5.710 -5.969 134 1HB ALA 18 1HB ALA 18 -21.584 -7.731 -5.776 135 2HB ALA 18 2HB ALA 18 -22.497 -6.305 -5.250 136 3HB ALA 18 3HB ALA 18 -22.811 -7.022 -6.844 137 H ALA 19 H ALA 19 -21.809 -6.209 -9.139 138 HA ALA 19 HA ALA 19 -20.310 -8.339 -10.108 139 1HB ALA 19 1HB ALA 19 -20.840 -7.455 -12.350 140 2HB ALA 19 2HB ALA 19 -22.244 -7.358 -11.270 141 3HB ALA 19 3HB ALA 19 -21.302 -5.896 -11.637 142 H CYS 20 H CYS 20 -19.322 -4.915 -9.909 143 HA CYS 20 HA CYS 20 -17.032 -5.138 -11.695 144 1HB CYS 20 2HB CYS 20 -17.757 -3.111 -9.522 145 2HB CYS 20 3HB CYS 20 -16.369 -2.984 -10.599 146 HG CYS 20 HG CYS 20 -19.548 -3.271 -11.413 147 H ALA 21 H ALA 21 -17.505 -4.892 -8.207 148 HA ALA 21 HA ALA 21 -14.965 -5.485 -7.214 149 1HB ALA 21 1HB ALA 21 -16.134 -5.307 -5.314 150 2HB ALA 21 2HB ALA 21 -17.652 -5.298 -6.206 151 3HB ALA 21 3HB ALA 21 -17.000 -6.829 -5.622 152 H ALA 22 H ALA 22 -17.571 -7.843 -7.810 153 HA ALA 22 HA ALA 22 -16.160 -10.198 -7.300 154 1HB ALA 22 1HB ALA 22 -17.948 -11.309 -8.552 155 2HB ALA 22 2HB ALA 22 -18.606 -10.043 -7.496 156 3HB ALA 22 3HB ALA 22 -18.457 -9.755 -9.246 157 H ARG 23 H ARG 23 -16.308 -8.270 -10.334 158 HA ARG 23 HA ARG 23 -14.969 -10.216 -11.926 159 1HB ARG 23 2HB ARG 23 -15.748 -7.340 -12.157 160 2HB ARG 23 3HB ARG 23 -14.248 -7.726 -12.981 161 1HG ARG 23 2HG ARG 23 -16.907 -9.165 -13.373 162 2HG ARG 23 3HG ARG 23 -16.182 -7.940 -14.429 163 1HD ARG 23 2HD ARG 23 -14.089 -9.708 -14.160 164 2HD ARG 23 3HD ARG 23 -15.453 -10.830 -14.068 165 HE ARG 23 HE ARG 23 -15.994 -9.135 -16.240 166 1HH1 ARG 23 2HH2 ARG 23 -13.498 -11.453 -15.374 167 2HH1 ARG 23 1HH2 ARG 23 -13.048 -11.842 -17.009 168 1HH2 ARG 23 2HH1 ARG 23 -15.401 -9.569 -18.430 169 2HH2 ARG 23 1HH1 ARG 23 -14.172 -10.733 -18.793 170 H ILE 24 H ILE 24 -13.790 -7.490 -9.861 171 HA ILE 24 HA ILE 24 -11.041 -7.907 -10.575 172 HB ILE 24 HB ILE 24 -12.226 -6.706 -8.064 173 1HG1 ILE 24 2HG1 ILE 24 -11.079 -5.216 -10.485 174 2HG1 ILE 24 3HG1 ILE 24 -12.793 -5.611 -10.433 175 1HG2 ILE 24 1HG2 ILE 24 -9.463 -6.525 -9.211 176 2HG2 ILE 24 2HG2 ILE 24 -10.102 -5.621 -7.803 177 3HG2 ILE 24 3HG2 ILE 24 -9.986 -7.369 -7.731 178 1HD1 ILE 24 1HD1 ILE 24 -13.055 -4.369 -8.314 179 2HD1 ILE 24 2HD1 ILE 24 -11.352 -3.857 -8.415 180 3HD1 ILE 24 3HD1 ILE 24 -12.506 -3.359 -9.660 181 H GLU 25 H GLU 25 -13.086 -9.072 -7.811 182 HA GLU 25 HA GLU 25 -11.102 -10.535 -6.478 183 1HB GLU 25 2HB GLU 25 -14.085 -11.046 -6.735 184 2HB GLU 25 3HB GLU 25 -13.031 -11.906 -5.611 185 1HG GLU 25 2HG GLU 25 -12.431 -9.847 -4.460 186 2HG GLU 25 3HG GLU 25 -13.393 -8.875 -5.574 187 H LYS 26 H LYS 26 -13.357 -11.692 -9.095 188 HA LYS 26 HA LYS 26 -12.284 -14.300 -9.096 189 1HB LYS 26 2HB LYS 26 -14.513 -13.756 -9.836 190 2HB LYS 26 3HB LYS 26 -13.885 -12.830 -11.215 191 1HG LYS 26 2HG LYS 26 -13.100 -14.702 -12.298 192 2HG LYS 26 3HG LYS 26 -12.867 -15.631 -10.817 193 1HD LYS 26 2HD LYS 26 -14.606 -16.732 -11.918 194 2HD LYS 26 3HD LYS 26 -15.316 -15.887 -10.535 195 1HE LYS 26 2HE LYS 26 -16.093 -14.066 -12.094 196 2HE LYS 26 3HE LYS 26 -15.390 -14.962 -13.454 197 1HZ LYS 26 1HZ LYS 26 -16.906 -16.778 -12.934 198 2HZ LYS 26 2HZ LYS 26 -17.583 -15.898 -11.720 199 3HZ LYS 26 3HZ LYS 26 -17.723 -15.394 -13.276 200 H GLY 27 H GLY 27 -11.513 -11.361 -10.984 201 1HA GLY 27 2HA GLY 27 -9.513 -12.449 -12.698 202 2HA GLY 27 3HA GLY 27 -9.629 -10.775 -12.120 203 H LEU 28 H LEU 28 -9.442 -11.335 -9.315 204 HA LEU 28 HA LEU 28 -6.619 -11.427 -8.988 205 1HB LEU 28 2HB LEU 28 -8.968 -10.862 -7.339 206 2HB LEU 28 3HB LEU 28 -7.739 -11.736 -6.450 207 HG LEU 28 HG LEU 28 -7.058 -9.198 -8.066 208 1HD1 LEU 28 1HD1 LEU 28 -7.810 -9.535 -5.181 209 2HD1 LEU 28 2HD1 LEU 28 -7.190 -8.052 -5.955 210 3HD1 LEU 28 3HD1 LEU 28 -8.764 -8.728 -6.433 211 1HD2 LEU 28 1HD2 LEU 28 -5.702 -10.721 -5.761 212 2HD2 LEU 28 2HD2 LEU 28 -5.170 -10.822 -7.451 213 3HD2 LEU 28 3HD2 LEU 28 -5.110 -9.283 -6.592 214 H LYS 29 H LYS 29 -9.235 -13.700 -8.091 215 HA LYS 29 HA LYS 29 -7.683 -15.730 -6.916 216 1HB LYS 29 2HB LYS 29 -10.416 -15.550 -8.059 217 2HB LYS 29 3HB LYS 29 -9.686 -17.143 -8.160 218 1HG LYS 29 2HG LYS 29 -10.854 -17.153 -6.148 219 2HG LYS 29 3HG LYS 29 -9.152 -17.072 -5.720 220 1HD LYS 29 2HD LYS 29 -9.492 -15.159 -4.518 221 2HD LYS 29 3HD LYS 29 -10.138 -14.367 -5.942 222 1HE LYS 29 2HE LYS 29 -11.913 -14.173 -4.458 223 2HE LYS 29 3HE LYS 29 -12.387 -15.570 -5.425 224 1HZ LYS 29 1HZ LYS 29 -11.429 -16.925 -3.533 225 2HZ LYS 29 2HZ LYS 29 -11.259 -15.520 -2.690 226 3HZ LYS 29 3HZ LYS 29 -12.731 -15.999 -3.119 227 H ARG 30 H ARG 30 -7.786 -14.805 -10.248 228 HA ARG 30 HA ARG 30 -6.899 -17.160 -11.509 229 1HB ARG 30 2HB ARG 30 -7.634 -14.810 -12.395 230 2HB ARG 30 3HB ARG 30 -5.952 -14.360 -12.212 231 1HG ARG 30 2HG ARG 30 -5.321 -15.461 -14.081 232 2HG ARG 30 3HG ARG 30 -6.231 -16.916 -13.671 233 1HD ARG 30 2HD ARG 30 -8.319 -15.928 -14.539 234 2HD ARG 30 3HD ARG 30 -7.528 -14.369 -14.729 235 HE ARG 30 HE ARG 30 -6.690 -14.960 -16.730 236 1HH1 ARG 30 2HH2 ARG 30 -7.534 -17.941 -15.061 237 2HH1 ARG 30 1HH2 ARG 30 -7.329 -18.974 -16.443 238 1HH2 ARG 30 2HH1 ARG 30 -6.411 -16.281 -18.598 239 2HH2 ARG 30 1HH1 ARG 30 -6.664 -17.990 -18.505 240 H MET 31 H MET 31 -5.164 -14.940 -9.374 241 HA MET 31 HA MET 31 -2.483 -15.614 -10.361 242 1HB MET 31 2HB MET 31 -3.638 -13.932 -8.128 243 2HB MET 31 3HB MET 31 -1.916 -14.264 -8.194 244 1HG MET 31 2HG MET 31 -3.189 -13.343 -10.754 245 2HG MET 31 3HG MET 31 -3.032 -12.169 -9.460 246 1HE MET 31 1HE MET 31 -1.576 -11.788 -12.310 247 2HE MET 31 2HE MET 31 -1.453 -10.632 -10.942 248 3HE MET 31 3HE MET 31 0.017 -11.214 -11.759 249 HA PRO 32 HA PRO 32 -1.800 -19.059 -7.710 250 1HB PRO 32 2HB PRO 32 0.901 -19.101 -7.396 251 2HB PRO 32 3HB PRO 32 0.101 -19.395 -8.964 252 1HG PRO 32 2HG PRO 32 1.351 -16.819 -7.988 253 2HG PRO 32 3HG PRO 32 1.549 -17.607 -9.573 254 1HD PRO 32 2HD PRO 32 -0.233 -15.565 -9.161 255 2HD PRO 32 3HD PRO 32 -0.556 -16.892 -10.314 256 H GLY 33 H GLY 33 0.002 -16.089 -6.564 257 1HA GLY 33 2HA GLY 33 0.358 -17.178 -3.944 258 2HA GLY 33 3HA GLY 33 0.658 -15.515 -4.467 259 H VAL 34 H VAL 34 -2.400 -15.753 -5.364 260 HA VAL 34 HA VAL 34 -3.388 -14.158 -3.181 261 HB VAL 34 HB VAL 34 -4.032 -14.002 -5.633 262 1HG1 VAL 34 1HG1 VAL 34 -5.470 -15.512 -6.653 263 2HG1 VAL 34 2HG1 VAL 34 -4.400 -16.585 -5.757 264 3HG1 VAL 34 3HG1 VAL 34 -6.010 -16.230 -5.122 265 1HG2 VAL 34 1HG2 VAL 34 -6.386 -13.450 -5.194 266 2HG2 VAL 34 2HG2 VAL 34 -6.306 -14.279 -3.626 267 3HG2 VAL 34 3HG2 VAL 34 -5.324 -12.828 -3.917 268 H THR 35 H THR 35 -4.271 -14.780 -1.299 269 HA THR 35 HA THR 35 -5.034 -17.628 -1.033 270 HB THR 35 HB THR 35 -4.654 -15.459 0.995 271 HG1 THR 35 1HG THR 35 -2.887 -16.698 0.217 272 1HG2 THR 35 1HG2 THR 35 -5.210 -17.240 2.682 273 2HG2 THR 35 2HG2 THR 35 -6.634 -16.733 1.756 274 3HG2 THR 35 3HG2 THR 35 -5.814 -18.266 1.366 275 H ASP 36 H ASP 36 -6.293 -14.233 -0.558 276 HA ASP 36 HA ASP 36 -8.729 -15.086 -1.835 277 1HB ASP 36 2HB ASP 36 -8.991 -15.838 0.612 278 2HB ASP 36 3HB ASP 36 -8.960 -14.129 1.055 279 H ALA 37 H ALA 37 -10.324 -13.325 -1.904 280 HA ALA 37 HA ALA 37 -9.159 -10.597 -1.927 281 1HB ALA 37 1HB ALA 37 -8.827 -11.509 -4.217 282 2HB ALA 37 2HB ALA 37 -10.554 -11.905 -4.310 283 3HB ALA 37 3HB ALA 37 -10.037 -10.208 -4.191 284 H ASN 38 H ASN 38 -10.603 -9.374 -0.782 285 HA ASN 38 HA ASN 38 -13.483 -10.144 -0.810 286 1HB ASN 38 2HB ASN 38 -11.953 -9.084 1.587 287 2HB ASN 38 3HB ASN 38 -13.619 -9.666 1.546 288 1HD2 ASN 38 1HD2 ASN 38 -13.241 -12.129 0.106 289 2HD2 ASN 38 2HD2 ASN 38 -12.257 -13.187 1.100 290 H VAL 39 H VAL 39 -14.896 -8.295 -0.571 291 HA VAL 39 HA VAL 39 -13.767 -5.587 -0.460 292 HB VAL 39 HB VAL 39 -13.483 -6.348 -2.831 293 1HG1 VAL 39 1HG1 VAL 39 -15.201 -7.046 -4.184 294 2HG1 VAL 39 2HG1 VAL 39 -15.721 -7.780 -2.671 295 3HG1 VAL 39 3HG1 VAL 39 -16.478 -6.282 -3.188 296 1HG2 VAL 39 1HG2 VAL 39 -15.586 -4.177 -2.517 297 2HG2 VAL 39 2HG2 VAL 39 -13.844 -3.945 -2.289 298 3HG2 VAL 39 3HG2 VAL 39 -14.465 -4.399 -3.879 299 H ASN 40 H ASN 40 -15.107 -4.184 0.274 300 HA ASN 40 HA ASN 40 -17.940 -4.991 0.909 301 1HB ASN 40 2HB ASN 40 -15.796 -3.538 2.488 302 2HB ASN 40 3HB ASN 40 -17.500 -3.151 2.744 303 1HD2 ASN 40 1HD2 ASN 40 -18.961 -4.672 3.633 304 2HD2 ASN 40 2HD2 ASN 40 -18.343 -6.092 4.455 305 H LEU 41 H LEU 41 -18.516 -4.156 -1.228 306 HA LEU 41 HA LEU 41 -18.099 -1.470 -2.033 307 1HB LEU 41 2HB LEU 41 -19.764 -1.802 -3.632 308 2HB LEU 41 3HB LEU 41 -19.055 -3.390 -3.400 309 HG LEU 41 HG LEU 41 -21.191 -3.327 -1.558 310 1HD1 LEU 41 1HD1 LEU 41 -22.054 -2.069 -4.207 311 2HD1 LEU 41 2HD1 LEU 41 -23.128 -2.578 -2.891 312 3HD1 LEU 41 3HD1 LEU 41 -22.013 -1.221 -2.650 313 1HD2 LEU 41 1HD2 LEU 41 -22.261 -4.903 -3.103 314 2HD2 LEU 41 2HD2 LEU 41 -21.146 -4.387 -4.386 315 3HD2 LEU 41 3HD2 LEU 41 -20.523 -5.238 -2.953 316 H ALA 42 H ALA 42 -19.916 -2.661 0.587 317 HA ALA 42 HA ALA 42 -21.853 -0.573 0.857 318 1HB ALA 42 1HB ALA 42 -22.016 -2.749 2.028 319 2HB ALA 42 2HB ALA 42 -20.555 -2.360 2.967 320 3HB ALA 42 3HB ALA 42 -22.033 -1.398 3.179 321 H THR 43 H THR 43 -18.421 -0.901 1.752 322 HA THR 43 HA THR 43 -18.414 1.945 2.690 323 HB THR 43 HB THR 43 -16.461 1.204 4.112 324 HG1 THR 43 1HG THR 43 -17.550 -1.377 3.937 325 1HG2 THR 43 1HG2 THR 43 -17.901 0.289 5.897 326 2HG2 THR 43 2HG2 THR 43 -18.744 1.598 5.048 327 3HG2 THR 43 3HG2 THR 43 -19.175 -0.088 4.722 328 H GLU 44 H GLU 44 -17.509 -0.082 0.214 329 HA GLU 44 HA GLU 44 -16.365 0.159 -1.609 330 1HB GLU 44 2HB GLU 44 -17.004 2.744 -1.088 331 2HB GLU 44 3HB GLU 44 -15.245 2.881 -1.074 332 1HG GLU 44 2HG GLU 44 -15.218 1.756 -3.327 333 2HG GLU 44 3HG GLU 44 -16.990 1.688 -3.289 334 H THR 45 H THR 45 -15.168 -1.192 0.644 335 HA THR 45 HA THR 45 -12.309 -0.342 0.574 336 HB THR 45 HB THR 45 -14.170 -1.491 2.666 337 HG1 THR 45 1HG THR 45 -12.181 0.510 2.965 338 1HG2 THR 45 1HG2 THR 45 -12.291 -2.982 2.818 339 2HG2 THR 45 2HG2 THR 45 -11.159 -1.622 2.604 340 3HG2 THR 45 3HG2 THR 45 -12.147 -1.756 4.085 341 H VAL 46 H VAL 46 -11.079 -1.719 -0.586 342 HA VAL 46 HA VAL 46 -11.958 -4.506 -1.089 343 HB VAL 46 HB VAL 46 -11.412 -3.335 -3.109 344 1HG1 VAL 46 1HG1 VAL 46 -10.007 -1.477 -2.384 345 2HG1 VAL 46 2HG1 VAL 46 -8.715 -2.587 -1.874 346 3HG1 VAL 46 3HG1 VAL 46 -9.133 -2.439 -3.578 347 1HG2 VAL 46 1HG2 VAL 46 -9.654 -4.742 -3.994 348 2HG2 VAL 46 2HG2 VAL 46 -9.049 -5.065 -2.361 349 3HG2 VAL 46 3HG2 VAL 46 -10.642 -5.690 -2.860 350 H ASN 47 H ASN 47 -10.931 -6.122 -0.041 351 HA ASN 47 HA ASN 47 -8.463 -5.512 1.511 352 1HB ASN 47 2HB ASN 47 -10.798 -7.287 2.308 353 2HB ASN 47 3HB ASN 47 -9.246 -7.218 3.154 354 1HD2 ASN 47 1HD2 ASN 47 -11.663 -6.751 4.502 355 2HD2 ASN 47 2HD2 ASN 47 -11.705 -5.055 4.954 356 H VAL 48 H VAL 48 -6.888 -6.600 0.382 357 HA VAL 48 HA VAL 48 -7.632 -9.247 -0.859 358 HB VAL 48 HB VAL 48 -5.230 -7.663 -1.756 359 1HG1 VAL 48 1HG1 VAL 48 -5.603 -9.048 -3.782 360 2HG1 VAL 48 2HG1 VAL 48 -5.608 -10.124 -2.376 361 3HG1 VAL 48 3HG1 VAL 48 -7.128 -9.650 -3.104 362 1HG2 VAL 48 1HG2 VAL 48 -7.006 -6.070 -2.111 363 2HG2 VAL 48 2HG2 VAL 48 -6.615 -6.821 -3.661 364 3HG2 VAL 48 3HG2 VAL 48 -8.075 -7.331 -2.786 365 H ILE 49 H ILE 49 -6.477 -11.056 -0.279 366 HA ILE 49 HA ILE 49 -4.192 -10.662 1.555 367 HB ILE 49 HB ILE 49 -6.290 -12.855 1.792 368 1HG1 ILE 49 2HG1 ILE 49 -6.523 -11.492 4.113 369 2HG1 ILE 49 3HG1 ILE 49 -6.076 -10.134 3.083 370 1HG2 ILE 49 1HG2 ILE 49 -3.966 -12.035 3.592 371 2HG2 ILE 49 2HG2 ILE 49 -5.131 -13.334 3.915 372 3HG2 ILE 49 3HG2 ILE 49 -4.011 -13.478 2.560 373 1HD1 ILE 49 1HD1 ILE 49 -8.044 -10.705 1.594 374 2HD1 ILE 49 2HD1 ILE 49 -8.422 -12.049 2.687 375 3HD1 ILE 49 3HD1 ILE 49 -8.512 -10.378 3.268 376 H TYR 50 H TYR 50 -2.350 -11.536 0.744 377 HA TYR 50 HA TYR 50 -2.428 -13.917 -0.985 378 1HB TYR 50 2HB TYR 50 -1.335 -12.697 -2.894 379 2HB TYR 50 3HB TYR 50 -2.983 -12.148 -2.598 380 HD1 TYR 50 HD1 TYR 50 0.596 -11.154 -2.233 381 HD2 TYR 50 HD2 TYR 50 -3.527 -9.980 -1.866 382 HE1 TYR 50 HE1 TYR 50 1.284 -8.805 -1.828 383 HE2 TYR 50 HE2 TYR 50 -2.860 -7.618 -1.866 384 HH TYR 50 HH TYR 50 -0.589 -6.102 -1.970 385 H ASP 51 H ASP 51 -0.107 -14.357 -1.794 386 HA ASP 51 HA ASP 51 1.582 -14.088 0.552 387 1HB ASP 51 2HB ASP 51 1.243 -16.170 -1.275 388 2HB ASP 51 3HB ASP 51 2.748 -15.468 -1.816 389 HA PRO 52 HA PRO 52 3.621 -10.686 -1.539 390 1HB PRO 52 2HB PRO 52 5.244 -9.788 0.475 391 2HB PRO 52 3HB PRO 52 3.462 -9.702 0.591 392 1HG PRO 52 2HG PRO 52 5.293 -11.858 1.714 393 2HG PRO 52 3HG PRO 52 4.045 -10.940 2.601 394 1HD PRO 52 2HD PRO 52 3.591 -13.409 1.517 395 2HD PRO 52 3HD PRO 52 2.312 -12.168 1.589 396 H ALA 53 H ALA 53 4.535 -13.404 -2.092 397 HA ALA 53 HA ALA 53 7.214 -12.795 -3.005 398 1HB ALA 53 1HB ALA 53 6.821 -15.061 -0.990 399 2HB ALA 53 2HB ALA 53 8.333 -14.679 -1.837 400 3HB ALA 53 3HB ALA 53 7.685 -13.541 -0.636 401 H GLU 54 H GLU 54 4.652 -13.519 -4.040 402 HA GLU 54 HA GLU 54 5.648 -15.495 -5.960 403 1HB GLU 54 2HB GLU 54 2.906 -15.690 -4.613 404 2HB GLU 54 3HB GLU 54 3.316 -16.427 -6.168 405 1HG GLU 54 2HG GLU 54 5.237 -17.606 -4.951 406 2HG GLU 54 3HG GLU 54 4.487 -17.081 -3.439 407 H THR 55 H THR 55 3.014 -13.208 -5.023 408 HA THR 55 HA THR 55 2.372 -12.848 -7.890 409 HB THR 55 HB THR 55 0.890 -12.468 -5.286 410 HG1 THR 55 1HG THR 55 -0.464 -13.968 -6.340 411 1HG2 THR 55 1HG2 THR 55 0.213 -11.453 -8.061 412 2HG2 THR 55 2HG2 THR 55 -1.039 -11.874 -6.868 413 3HG2 THR 55 3HG2 THR 55 0.166 -10.628 -6.485 414 H GLY 56 H GLY 56 1.925 -10.446 -5.252 415 1HA GLY 56 2HA GLY 56 3.823 -8.801 -4.988 416 2HA GLY 56 3HA GLY 56 3.734 -8.565 -6.735 417 H THR 57 H THR 57 2.774 -7.265 -3.925 418 HA THR 57 HA THR 57 0.136 -6.495 -4.163 419 HB THR 57 HB THR 57 1.738 -5.995 -2.313 420 HG1 THR 57 1HG THR 57 0.213 -3.739 -3.031 421 1HG2 THR 57 1HG2 THR 57 2.369 -3.447 -3.840 422 2HG2 THR 57 2HG2 THR 57 2.928 -3.948 -2.238 423 3HG2 THR 57 3HG2 THR 57 3.437 -4.865 -3.675 424 H ALA 58 H ALA 58 2.941 -5.067 -5.817 425 HA ALA 58 HA ALA 58 1.636 -2.993 -7.173 426 1HB ALA 58 1HB ALA 58 3.560 -3.079 -8.714 427 2HB ALA 58 2HB ALA 58 4.074 -3.196 -7.020 428 3HB ALA 58 3HB ALA 58 4.040 -4.653 -8.043 429 H ALA 59 H ALA 59 1.933 -6.500 -8.035 430 HA ALA 59 HA ALA 59 0.896 -6.088 -10.721 431 1HB ALA 59 1HB ALA 59 1.064 -8.603 -9.047 432 2HB ALA 59 2HB ALA 59 0.722 -8.484 -10.789 433 3HB ALA 59 3HB ALA 59 2.317 -7.992 -10.164 434 H ILE 60 H ILE 60 -0.395 -7.012 -7.530 435 HA ILE 60 HA ILE 60 -3.055 -7.632 -8.402 436 HB ILE 60 HB ILE 60 -1.826 -6.964 -5.772 437 1HG1 ILE 60 2HG1 ILE 60 -3.014 -9.456 -7.072 438 2HG1 ILE 60 3HG1 ILE 60 -1.317 -9.053 -6.925 439 1HG2 ILE 60 1HG2 ILE 60 -4.024 -7.601 -4.747 440 2HG2 ILE 60 2HG2 ILE 60 -3.884 -5.990 -5.421 441 3HG2 ILE 60 3HG2 ILE 60 -4.763 -7.219 -6.330 442 1HD1 ILE 60 1HD1 ILE 60 -1.496 -9.044 -4.492 443 2HD1 ILE 60 2HD1 ILE 60 -3.202 -9.582 -4.627 444 3HD1 ILE 60 3HD1 ILE 60 -1.903 -10.626 -5.193 445 H GLN 61 H GLN 61 -1.679 -4.575 -7.003 446 HA GLN 61 HA GLN 61 -4.079 -3.096 -7.440 447 1HB GLN 61 2HB GLN 61 -2.982 -1.198 -6.840 448 2HB GLN 61 3HB GLN 61 -2.056 -2.450 -5.996 449 1HG GLN 61 2HG GLN 61 -0.366 -2.352 -7.779 450 2HG GLN 61 3HG GLN 61 -1.240 -1.046 -8.586 451 1HE2 GLN 61 1HE2 GLN 61 -1.213 1.058 -7.588 452 2HE2 GLN 61 2HE2 GLN 61 -0.065 1.411 -6.313 453 H GLU 62 H GLU 62 -1.278 -3.842 -9.603 454 HA GLU 62 HA GLU 62 -2.127 -2.133 -11.702 455 1HB GLU 62 2HB GLU 62 0.099 -3.081 -11.541 456 2HB GLU 62 3HB GLU 62 -0.524 -4.723 -11.769 457 1HG GLU 62 2HG GLU 62 -0.686 -4.482 -14.013 458 2HG GLU 62 3HG GLU 62 -1.370 -2.848 -13.830 459 H LYS 63 H LYS 63 -3.165 -5.471 -10.771 460 HA LYS 63 HA LYS 63 -4.601 -5.909 -13.152 461 1HB LYS 63 2HB LYS 63 -3.818 -7.602 -11.403 462 2HB LYS 63 3HB LYS 63 -5.160 -7.074 -10.392 463 1HG LYS 63 2HG LYS 63 -5.739 -9.088 -11.603 464 2HG LYS 63 3HG LYS 63 -6.773 -7.737 -12.049 465 1HD LYS 63 2HD LYS 63 -6.074 -9.191 -13.996 466 2HD LYS 63 3HD LYS 63 -5.770 -7.479 -14.199 467 1HE LYS 63 2HE LYS 63 -3.897 -8.854 -15.029 468 2HE LYS 63 3HE LYS 63 -3.388 -7.734 -13.768 469 1HZ LYS 63 1HZ LYS 63 -3.953 -10.595 -13.362 470 2HZ LYS 63 2HZ LYS 63 -2.463 -9.890 -13.434 471 3HZ LYS 63 3HZ LYS 63 -3.483 -9.528 -12.195 472 H ILE 64 H ILE 64 -5.556 -4.432 -10.018 473 HA ILE 64 HA ILE 64 -8.313 -4.004 -10.625 474 HB ILE 64 HB ILE 64 -6.313 -2.403 -8.980 475 1HG1 ILE 64 2HG1 ILE 64 -8.750 -3.879 -7.969 476 2HG1 ILE 64 3HG1 ILE 64 -7.367 -4.869 -8.433 477 1HG2 ILE 64 1HG2 ILE 64 -8.267 -1.264 -7.964 478 2HG2 ILE 64 2HG2 ILE 64 -8.017 -0.815 -9.651 479 3HG2 ILE 64 3HG2 ILE 64 -9.303 -1.968 -9.215 480 1HD1 ILE 64 1HD1 ILE 64 -5.977 -3.917 -6.769 481 2HD1 ILE 64 2HD1 ILE 64 -7.128 -2.605 -6.419 482 3HD1 ILE 64 3HD1 ILE 64 -7.517 -4.283 -5.990 483 H GLU 65 H GLU 65 -5.387 -2.047 -11.459 484 HA GLU 65 HA GLU 65 -6.853 -0.033 -12.839 485 1HB GLU 65 2HB GLU 65 -4.102 -1.058 -13.571 486 2HB GLU 65 3HB GLU 65 -4.831 0.487 -14.024 487 1HG GLU 65 2HG GLU 65 -4.844 1.078 -11.560 488 2HG GLU 65 3HG GLU 65 -3.939 -0.396 -11.254 489 H LYS 66 H LYS 66 -5.296 -2.974 -14.150 490 HA LYS 66 HA LYS 66 -6.100 -2.387 -16.845 491 1HB LYS 66 2HB LYS 66 -4.861 -4.769 -15.512 492 2HB LYS 66 3HB LYS 66 -5.529 -4.896 -17.147 493 1HG LYS 66 2HG LYS 66 -3.306 -4.319 -17.541 494 2HG LYS 66 3HG LYS 66 -4.185 -2.829 -17.799 495 1HD LYS 66 2HD LYS 66 -3.597 -2.396 -15.246 496 2HD LYS 66 3HD LYS 66 -2.392 -3.656 -15.514 497 1HE LYS 66 2HE LYS 66 -1.176 -2.228 -17.001 498 2HE LYS 66 3HE LYS 66 -2.585 -1.193 -17.302 499 1HZ LYS 66 1HZ LYS 66 -0.844 -1.241 -14.933 500 2HZ LYS 66 2HZ LYS 66 -1.109 -0.017 -15.927 501 3HZ LYS 66 3HZ LYS 66 -2.252 -0.414 -14.846 502 H LEU 67 H LEU 67 -7.740 -4.063 -14.224 503 HA LEU 67 HA LEU 67 -9.914 -5.113 -15.808 504 1HB LEU 67 2HB LEU 67 -9.440 -4.453 -12.901 505 2HB LEU 67 3HB LEU 67 -11.057 -4.807 -13.441 506 HG LEU 67 HG LEU 67 -9.361 -6.646 -12.480 507 1HD1 LEU 67 1HD1 LEU 67 -10.928 -8.323 -13.375 508 2HD1 LEU 67 2HD1 LEU 67 -11.774 -6.889 -12.776 509 3HD1 LEU 67 3HD1 LEU 67 -11.561 -7.122 -14.524 510 1HD2 LEU 67 1HD2 LEU 67 -9.220 -7.185 -15.476 511 2HD2 LEU 67 2HD2 LEU 67 -7.860 -6.577 -14.512 512 3HD2 LEU 67 3HD2 LEU 67 -8.565 -8.158 -14.155 513 H GLY 68 H GLY 68 -9.053 -1.860 -15.067 514 1HA GLY 68 2HA GLY 68 -9.988 -0.109 -16.278 515 2HA GLY 68 3HA GLY 68 -11.535 -0.952 -16.417 516 H TYR 69 H TYR 69 -9.500 -0.392 -13.534 517 HA TYR 69 HA TYR 69 -11.551 1.449 -12.368 518 1HB TYR 69 2HB TYR 69 -10.231 -0.907 -10.990 519 2HB TYR 69 3HB TYR 69 -11.313 0.245 -10.222 520 HD1 TYR 69 HD1 TYR 69 -11.082 -2.639 -12.477 521 HD2 TYR 69 HD2 TYR 69 -13.735 0.294 -10.805 522 HE1 TYR 69 HE1 TYR 69 -13.040 -3.847 -13.441 523 HE2 TYR 69 HE2 TYR 69 -15.676 -0.892 -11.793 524 HH TYR 69 HH TYR 69 -15.268 -3.784 -13.847 525 H HIS 70 H HIS 70 -10.495 2.230 -10.118 526 HA HIS 70 HA HIS 70 -7.612 2.744 -10.401 527 1HB HIS 70 2HB HIS 70 -9.772 4.874 -10.287 528 2HB HIS 70 3HB HIS 70 -8.272 5.134 -9.405 529 HD1 HIS 70 1HD HIS 70 -9.515 6.288 -12.463 530 HD2 HIS 70 2HD HIS 70 -5.954 4.462 -11.168 531 HE1 HIS 70 1HE HIS 70 -7.680 7.023 -14.079 532 H VAL 71 H VAL 71 -6.756 3.525 -8.287 533 HA VAL 71 HA VAL 71 -8.190 2.273 -6.002 534 HB VAL 71 HB VAL 71 -5.917 2.041 -5.064 535 1HG1 VAL 71 1HG1 VAL 71 -6.274 0.652 -7.750 536 2HG1 VAL 71 2HG1 VAL 71 -5.266 0.101 -6.401 537 3HG1 VAL 71 3HG1 VAL 71 -7.027 0.162 -6.217 538 1HG2 VAL 71 1HG2 VAL 71 -4.719 3.788 -6.398 539 2HG2 VAL 71 2HG2 VAL 71 -3.925 2.211 -6.437 540 3HG2 VAL 71 3HG2 VAL 71 -4.861 2.755 -7.836 541 H VAL 72 H VAL 72 -8.370 3.483 -4.084 542 HA VAL 72 HA VAL 72 -8.071 6.419 -4.414 543 HB VAL 72 HB VAL 72 -9.214 4.701 -2.201 544 1HG1 VAL 72 1HG1 VAL 72 -9.332 7.725 -2.618 545 2HG1 VAL 72 2HG1 VAL 72 -10.181 6.824 -1.345 546 3HG1 VAL 72 3HG1 VAL 72 -8.416 6.897 -1.340 547 1HG2 VAL 72 1HG2 VAL 72 -10.592 6.324 -4.377 548 2HG2 VAL 72 2HG2 VAL 72 -10.616 4.555 -4.202 549 3HG2 VAL 72 3HG2 VAL 72 -11.422 5.571 -3.003 550 H THR 73 H THR 73 -5.745 6.338 -4.586 551 HA THR 73 HA THR 73 -4.366 5.987 -2.004 552 HB THR 73 HB THR 73 -3.308 4.628 -4.512 553 HG1 THR 73 1HG THR 73 -5.204 3.678 -2.629 554 1HG2 THR 73 1HG2 THR 73 -1.834 4.973 -2.495 555 2HG2 THR 73 2HG2 THR 73 -3.063 4.075 -1.543 556 3HG2 THR 73 3HG2 THR 73 -2.153 3.256 -2.824 557 H GLU 74 H GLU 74 -2.749 7.471 -1.734 558 HA GLU 74 HA GLU 74 -2.269 9.319 -4.024 559 1HB GLU 74 2HB GLU 74 -2.754 9.828 -1.063 560 2HB GLU 74 3HB GLU 74 -1.952 11.017 -2.094 561 1HG GLU 74 2HG GLU 74 -4.710 9.878 -2.717 562 2HG GLU 74 3HG GLU 74 -4.418 11.402 -1.864 563 H LYS 75 H LYS 75 -0.328 9.815 -4.480 564 HA LYS 75 HA LYS 75 1.992 8.529 -3.180 565 1HB LYS 75 2HB LYS 75 3.254 9.173 -5.103 566 2HB LYS 75 3HB LYS 75 1.787 8.312 -5.560 567 1HG LYS 75 2HG LYS 75 0.746 10.662 -5.922 568 2HG LYS 75 3HG LYS 75 2.437 11.205 -5.934 569 1HD LYS 75 2HD LYS 75 2.957 9.659 -7.784 570 2HD LYS 75 3HD LYS 75 1.350 8.942 -7.682 571 1HE LYS 75 2HE LYS 75 1.455 10.502 -9.568 572 2HE LYS 75 3HE LYS 75 0.265 11.011 -8.364 573 1HZ LYS 75 1HZ LYS 75 1.593 12.854 -9.132 574 2HZ LYS 75 2HZ LYS 75 1.857 12.607 -7.534 575 3HZ LYS 75 3HZ LYS 75 2.983 12.131 -8.635 576 H ALA 76 H ALA 76 1.965 9.651 -1.226 577 HA ALA 76 HA ALA 76 2.462 12.625 -1.352 578 1HB ALA 76 1HB ALA 76 2.479 12.480 1.137 579 2HB ALA 76 2HB ALA 76 0.951 12.000 0.382 580 3HB ALA 76 3HB ALA 76 2.041 10.763 1.014 581 H GLU 77 H GLU 77 4.444 13.355 0.087 582 HA GLU 77 HA GLU 77 6.647 11.381 -0.043 583 1HB GLU 77 2HB GLU 77 6.993 14.303 -0.792 584 2HB GLU 77 3HB GLU 77 8.209 13.004 -0.646 585 1HG GLU 77 2HG GLU 77 7.056 11.838 -2.569 586 2HG GLU 77 3HG GLU 77 6.154 13.345 -2.838 587 H PHE 78 H PHE 78 7.791 11.282 1.769 588 HA PHE 78 HA PHE 78 7.532 13.477 3.774 589 1HB PHE 78 2HB PHE 78 7.663 10.481 4.255 590 2HB PHE 78 3HB PHE 78 7.734 11.697 5.518 591 HD1 PHE 78 1HD PHE 78 5.414 13.498 4.136 592 HD2 PHE 78 2HD PHE 78 5.765 9.379 5.398 593 HE1 PHE 78 1HE PHE 78 2.992 13.236 3.938 594 HE2 PHE 78 2HE PHE 78 3.306 9.192 5.370 595 HZ PHE 78 HZ PHE 78 1.940 11.035 4.413 596 H ASP 79 H ASP 79 9.331 14.035 4.796 597 HA ASP 79 HA ASP 79 11.923 13.373 3.536 598 1HB ASP 79 2HB ASP 79 11.542 15.703 3.756 599 2HB ASP 79 3HB ASP 79 10.826 15.548 5.355 600 H ILE 80 H ILE 80 13.762 12.697 5.032 601 HA ILE 80 HA ILE 80 12.712 11.201 7.425 602 HB ILE 80 HB ILE 80 14.868 10.294 5.541 603 1HG1 ILE 80 2HG1 ILE 80 12.144 8.995 5.606 604 2HG1 ILE 80 3HG1 ILE 80 12.482 10.320 4.477 605 1HG2 ILE 80 1HG2 ILE 80 13.286 8.905 7.751 606 2HG2 ILE 80 2HG2 ILE 80 14.543 8.128 6.774 607 3HG2 ILE 80 3HG2 ILE 80 14.963 9.437 7.875 608 1HD1 ILE 80 1HD1 ILE 80 12.905 8.166 3.471 609 2HD1 ILE 80 2HD1 ILE 80 14.318 9.240 3.502 610 3HD1 ILE 80 3HD1 ILE 80 14.218 7.872 4.627 611 H GLU 81 H GLU 81 13.919 11.416 9.270 612 HA GLU 81 HA GLU 81 16.543 12.867 9.042 613 1HB GLU 81 2HB GLU 81 14.541 12.662 11.282 614 2HB GLU 81 3HB GLU 81 16.165 13.347 11.495 615 1HG GLU 81 2HG GLU 81 15.745 15.057 9.845 616 2HG GLU 81 3HG GLU 81 14.196 14.341 9.404 617 H GLY 82 H GLY 82 18.339 11.955 9.567 618 1HA GLY 82 2HA GLY 82 19.754 10.636 10.923 619 2HA GLY 82 3HA GLY 82 18.471 9.439 11.162 620 H MET 83 H MET 83 17.744 8.270 9.220 621 HA MET 83 HA MET 83 18.303 6.657 7.759 622 1HB MET 83 2HB MET 83 19.628 8.848 6.180 623 2HB MET 83 3HB MET 83 18.947 7.341 5.543 624 1HG MET 83 2HG MET 83 16.861 8.064 5.533 625 2HG MET 83 3HG MET 83 16.997 8.992 7.024 626 1HE MET 83 1HE MET 83 18.432 12.382 6.048 627 2HE MET 83 2HE MET 83 17.917 11.281 7.325 628 3HE MET 83 3HE MET 83 19.479 11.036 6.499 629 H THR 84 H THR 84 20.816 7.042 6.027 630 HA THR 84 HA THR 84 22.996 6.308 5.983 631 HB THR 84 HB THR 84 24.396 8.170 6.703 632 HG1 THR 84 1HG THR 84 22.033 9.217 7.909 633 1HG2 THR 84 1HG2 THR 84 23.357 9.901 5.352 634 2HG2 THR 84 2HG2 THR 84 23.089 8.324 4.591 635 3HG2 THR 84 3HG2 THR 84 21.774 9.130 5.471 636 H CYS 85 H CYS 85 22.274 4.417 7.459 637 HA CYS 85 HA CYS 85 24.541 4.058 9.251 638 1HB CYS 85 2HB CYS 85 22.258 4.846 10.537 639 2HB CYS 85 3HB CYS 85 21.948 3.104 10.436 640 HG CYS 85 HG CYS 85 24.394 2.489 11.433 641 H ALA 86 H ALA 86 23.609 1.461 10.157 642 HA ALA 86 HA ALA 86 24.461 -0.214 8.200 643 1HB ALA 86 1HB ALA 86 23.273 -2.005 9.431 644 2HB ALA 86 2HB ALA 86 24.087 -0.878 10.533 645 3HB ALA 86 3HB ALA 86 22.326 -0.782 10.304 646 H ALA 87 H ALA 87 21.032 0.725 8.720 647 HA ALA 87 HA ALA 87 20.345 0.417 5.945 648 1HB ALA 87 1HB ALA 87 18.836 -1.622 6.272 649 2HB ALA 87 2HB ALA 87 20.545 -1.998 6.388 650 3HB ALA 87 3HB ALA 87 19.570 -1.839 7.861 651 H CYS 88 H CYS 88 19.821 2.663 7.715 652 HA CYS 88 HA CYS 88 17.384 2.279 9.121 653 1HB CYS 88 2HB CYS 88 18.914 4.657 8.024 654 2HB CYS 88 3HB CYS 88 17.449 4.875 9.026 655 HG CYS 88 HG CYS 88 19.728 5.318 10.336 656 H ALA 89 H ALA 89 17.995 4.003 5.993 657 HA ALA 89 HA ALA 89 15.254 4.423 5.398 658 1HB ALA 89 1HB ALA 89 17.195 5.570 4.281 659 2HB ALA 89 2HB ALA 89 17.469 4.058 3.366 660 3HB ALA 89 3HB ALA 89 15.951 4.951 3.179 661 H ASN 90 H ASN 90 17.396 1.650 4.868 662 HA ASN 90 HA ASN 90 15.575 0.209 3.152 663 1HB ASN 90 2HB ASN 90 18.100 -0.397 4.610 664 2HB ASN 90 3HB ASN 90 17.038 -1.780 4.294 665 1HD2 ASN 90 1HD2 ASN 90 17.972 -2.842 2.553 666 2HD2 ASN 90 2HD2 ASN 90 18.392 -2.023 1.057 667 H ARG 91 H ARG 91 16.150 0.151 6.697 668 HA ARG 91 HA ARG 91 14.208 -1.821 7.350 669 1HB ARG 91 2HB ARG 91 15.510 0.490 8.828 670 2HB ARG 91 3HB ARG 91 14.178 -0.363 9.563 671 1HG ARG 91 2HG ARG 91 15.407 -2.534 9.221 672 2HG ARG 91 3HG ARG 91 16.794 -1.597 8.651 673 1HD ARG 91 2HD ARG 91 16.320 -0.254 10.945 674 2HD ARG 91 3HD ARG 91 15.619 -1.783 11.447 675 HE ARG 91 HE ARG 91 18.366 -1.038 11.258 676 1HH1 ARG 91 2HH2 ARG 91 16.333 -3.819 10.588 677 2HH1 ARG 91 1HH2 ARG 91 17.574 -5.015 10.824 678 1HH2 ARG 91 2HH1 ARG 91 20.051 -2.576 11.632 679 2HH2 ARG 91 1HH1 ARG 91 19.753 -4.269 11.431 680 H ILE 92 H ILE 92 13.912 1.793 7.249 681 HA ILE 92 HA ILE 92 11.083 1.629 7.770 682 HB ILE 92 HB ILE 92 10.967 3.972 6.986 683 1HG1 ILE 92 2HG1 ILE 92 13.838 4.424 7.177 684 2HG1 ILE 92 3HG1 ILE 92 13.280 3.567 5.718 685 1HG2 ILE 92 1HG2 ILE 92 12.885 3.255 9.203 686 2HG2 ILE 92 2HG2 ILE 92 12.090 4.840 8.977 687 3HG2 ILE 92 3HG2 ILE 92 11.119 3.395 9.297 688 1HD1 ILE 92 1HD1 ILE 92 12.169 6.213 6.666 689 2HD1 ILE 92 2HD1 ILE 92 13.287 5.952 5.307 690 3HD1 ILE 92 3HD1 ILE 92 11.646 5.296 5.229 691 H GLU 93 H GLU 93 12.906 1.449 4.676 692 HA GLU 93 HA GLU 93 10.731 1.808 2.937 693 1HB GLU 93 2HB GLU 93 13.150 1.667 2.191 694 2HB GLU 93 3HB GLU 93 13.186 -0.014 2.677 695 1HG GLU 93 2HG GLU 93 11.016 -0.018 1.006 696 2HG GLU 93 3HG GLU 93 12.012 1.248 0.295 697 H LYS 94 H LYS 94 12.230 -1.236 4.180 698 HA LYS 94 HA LYS 94 10.302 -2.976 3.100 699 1HB LYS 94 2HB LYS 94 12.157 -3.220 5.505 700 2HB LYS 94 3HB LYS 94 10.939 -4.448 5.172 701 1HG LYS 94 2HG LYS 94 12.822 -5.309 4.156 702 2HG LYS 94 3HG LYS 94 11.843 -4.671 2.829 703 1HD LYS 94 2HD LYS 94 13.319 -2.575 2.910 704 2HD LYS 94 3HD LYS 94 14.282 -3.392 4.150 705 1HE LYS 94 2HE LYS 94 15.435 -3.627 2.083 706 2HE LYS 94 3HE LYS 94 14.762 -5.225 2.453 707 1HZ LYS 94 1HZ LYS 94 12.990 -4.722 0.873 708 2HZ LYS 94 2HZ LYS 94 13.551 -3.214 0.647 709 3HZ LYS 94 3HZ LYS 94 14.444 -4.491 0.124 710 H ARG 95 H ARG 95 10.142 -0.995 6.011 711 HA ARG 95 HA ARG 95 7.717 -2.343 6.987 712 1HB ARG 95 2HB ARG 95 9.103 0.258 7.724 713 2HB ARG 95 3HB ARG 95 7.618 -0.285 8.502 714 1HG ARG 95 2HG ARG 95 10.036 -2.113 8.348 715 2HG ARG 95 3HG ARG 95 9.909 -0.867 9.589 716 1HD ARG 95 2HD ARG 95 7.862 -1.790 10.467 717 2HD ARG 95 3HD ARG 95 7.716 -2.925 9.106 718 HE ARG 95 HE ARG 95 10.201 -3.355 10.424 719 1HH1 ARG 95 2HH2 ARG 95 6.745 -3.803 10.927 720 2HH1 ARG 95 1HH2 ARG 95 6.885 -5.274 11.835 721 1HH2 ARG 95 2HH1 ARG 95 10.447 -5.329 11.626 722 2HH2 ARG 95 1HH1 ARG 95 9.057 -6.150 12.254 723 H LEU 96 H LEU 96 8.211 0.983 5.801 724 HA LEU 96 HA LEU 96 5.594 1.809 5.426 725 1HB LEU 96 2HB LEU 96 8.147 2.517 4.039 726 2HB LEU 96 3HB LEU 96 6.604 3.145 3.470 727 HG LEU 96 HG LEU 96 6.865 3.410 6.402 728 1HD1 LEU 96 1HD1 LEU 96 8.355 5.436 6.136 729 2HD1 LEU 96 2HD1 LEU 96 9.093 3.834 6.031 730 3HD1 LEU 96 3HD1 LEU 96 8.825 4.776 4.549 731 1HD2 LEU 96 1HD2 LEU 96 5.943 5.621 5.896 732 2HD2 LEU 96 2HD2 LEU 96 6.272 5.413 4.167 733 3HD2 LEU 96 3HD2 LEU 96 5.040 4.409 4.963 734 H ASN 97 H ASN 97 7.613 -0.005 3.148 735 HA ASN 97 HA ASN 97 6.367 -0.249 0.834 736 1HB ASN 97 2HB ASN 97 8.294 -1.714 1.932 737 2HB ASN 97 3HB ASN 97 7.016 -2.847 2.269 738 1HD2 ASN 97 1HD2 ASN 97 8.804 -1.019 -0.221 739 2HD2 ASN 97 2HD2 ASN 97 8.513 -2.156 -1.523 740 H LYS 98 H LYS 98 5.153 -1.867 3.790 741 HA LYS 98 HA LYS 98 2.446 -1.787 2.831 742 1HB LYS 98 2HB LYS 98 2.002 -4.258 3.039 743 2HB LYS 98 3HB LYS 98 2.731 -3.707 1.547 744 1HG LYS 98 2HG LYS 98 4.625 -4.551 3.720 745 2HG LYS 98 3HG LYS 98 3.700 -5.847 3.005 746 1HD LYS 98 2HD LYS 98 5.026 -3.852 1.196 747 2HD LYS 98 3HD LYS 98 6.065 -5.022 1.989 748 1HE LYS 98 2HE LYS 98 3.659 -6.087 0.517 749 2HE LYS 98 3HE LYS 98 4.870 -5.265 -0.467 750 1HZ LYS 98 1HZ LYS 98 5.498 -7.501 1.330 751 2HZ LYS 98 2HZ LYS 98 5.350 -7.594 -0.309 752 3HZ LYS 98 3HZ LYS 98 6.547 -6.691 0.350 753 H ILE 99 H ILE 99 2.986 -0.440 4.842 754 HA ILE 99 HA ILE 99 2.999 -1.760 7.405 755 HB ILE 99 HB ILE 99 2.043 0.965 6.469 756 1HG1 ILE 99 2HG1 ILE 99 4.496 0.370 6.588 757 2HG1 ILE 99 3HG1 ILE 99 3.988 1.835 7.428 758 1HG2 ILE 99 1HG2 ILE 99 1.937 1.598 8.918 759 2HG2 ILE 99 2HG2 ILE 99 0.607 0.609 8.335 760 3HG2 ILE 99 3HG2 ILE 99 1.894 -0.140 9.294 761 1HD1 ILE 99 1HD1 ILE 99 4.063 0.611 9.600 762 2HD1 ILE 99 2HD1 ILE 99 4.632 -0.841 8.739 763 3HD1 ILE 99 3HD1 ILE 99 5.607 0.642 8.759 764 H GLU 100 H GLU 100 0.307 -0.281 5.602 765 HA GLU 100 HA GLU 100 -1.494 -2.479 6.234 766 1HB GLU 100 2HB GLU 100 -1.558 0.055 7.760 767 2HB GLU 100 3HB GLU 100 -3.105 -0.232 6.970 768 1HG GLU 100 2HG GLU 100 -1.839 -2.439 8.560 769 2HG GLU 100 3HG GLU 100 -2.846 -1.173 9.273 770 H GLY 101 H GLY 101 -2.908 0.605 5.324 771 1HA GLY 101 2HA GLY 101 -3.498 -0.495 2.690 772 2HA GLY 101 3HA GLY 101 -4.105 1.007 3.411 773 H VAL 102 H VAL 102 -0.881 -0.332 2.624 774 HA VAL 102 HA VAL 102 -0.152 2.204 1.196 775 HB VAL 102 HB VAL 102 1.794 0.282 2.470 776 1HG1 VAL 102 1HG1 VAL 102 2.717 1.587 0.637 777 2HG1 VAL 102 2HG1 VAL 102 1.982 3.077 1.263 778 3HG1 VAL 102 3HG1 VAL 102 3.293 2.323 2.138 779 1HG2 VAL 102 1HG2 VAL 102 0.743 2.918 3.579 780 2HG2 VAL 102 2HG2 VAL 102 0.465 1.315 4.279 781 3HG2 VAL 102 3HG2 VAL 102 2.103 1.987 4.226 782 H ALA 103 H ALA 103 0.208 2.057 -0.873 783 HA ALA 103 HA ALA 103 0.021 -0.535 -2.252 784 1HB ALA 103 1HB ALA 103 -1.134 1.224 -3.348 785 2HB ALA 103 2HB ALA 103 0.222 2.357 -3.159 786 3HB ALA 103 3HB ALA 103 0.361 0.990 -4.266 787 H ASN 104 H ASN 104 2.321 2.198 -1.780 788 HA ASN 104 HA ASN 104 4.623 0.402 -2.108 789 1HB ASN 104 2HB ASN 104 4.269 2.708 -4.082 790 2HB ASN 104 3HB ASN 104 5.666 1.653 -3.940 791 1HD2 ASN 104 1HD2 ASN 104 2.762 2.149 -5.613 792 2HD2 ASN 104 2HD2 ASN 104 2.584 0.498 -6.238 793 H ALA 105 H ALA 105 6.657 1.622 -1.874 794 HA ALA 105 HA ALA 105 6.523 4.304 -0.836 795 1HB ALA 105 1HB ALA 105 7.326 3.879 1.426 796 2HB ALA 105 2HB ALA 105 5.734 3.137 1.173 797 3HB ALA 105 3HB ALA 105 7.198 2.126 1.167 798 HA PRO 106 HA PRO 106 10.684 2.929 -2.406 799 1HB PRO 106 2HB PRO 106 11.033 4.705 -4.459 800 2HB PRO 106 3HB PRO 106 10.175 3.146 -4.619 801 1HG PRO 106 2HG PRO 106 9.010 5.884 -4.247 802 2HG PRO 106 3HG PRO 106 8.459 4.611 -5.365 803 1HD PRO 106 2HD PRO 106 7.243 5.059 -2.932 804 2HD PRO 106 3HD PRO 106 7.364 3.432 -3.651 805 H VAL 107 H VAL 107 12.332 3.657 -1.237 806 HA VAL 107 HA VAL 107 12.338 6.355 -0.066 807 HB VAL 107 HB VAL 107 14.133 5.546 1.325 808 1HG1 VAL 107 1HG1 VAL 107 11.868 3.506 1.245 809 2HG1 VAL 107 2HG1 VAL 107 12.905 3.908 2.633 810 3HG1 VAL 107 3HG1 VAL 107 11.782 5.100 1.997 811 1HG2 VAL 107 1HG2 VAL 107 15.305 4.002 -0.207 812 2HG2 VAL 107 2HG2 VAL 107 14.881 3.201 1.306 813 3HG2 VAL 107 3HG2 VAL 107 13.931 2.879 -0.153 814 H ASN 108 H ASN 108 14.126 7.821 -0.321 815 HA ASN 108 HA ASN 108 15.949 7.287 -2.640 816 1HB ASN 108 2HB ASN 108 14.811 9.880 -1.526 817 2HB ASN 108 3HB ASN 108 16.150 9.783 -2.670 818 1HD2 ASN 108 1HD2 ASN 108 12.915 10.478 -2.653 819 2HD2 ASN 108 2HD2 ASN 108 12.552 9.935 -4.276 820 H PHE 109 H PHE 109 18.089 7.638 -2.288 821 HA PHE 109 HA PHE 109 18.983 8.337 0.473 822 1HB PHE 109 2HB PHE 109 19.616 6.151 -1.184 823 2HB PHE 109 3HB PHE 109 20.993 7.223 -1.368 824 HD1 PHE 109 1HD PHE 109 22.580 7.470 0.460 825 HD2 PHE 109 2HD PHE 109 18.774 5.572 1.146 826 HE1 PHE 109 1HE PHE 109 23.386 6.649 2.647 827 HE2 PHE 109 2HE PHE 109 19.538 4.852 3.371 828 HZ PHE 109 HZ PHE 109 21.894 5.262 4.090 829 H ALA 110 H ALA 110 18.497 9.857 -2.407 830 HA ALA 110 HA ALA 110 21.014 11.457 -2.389 831 1HB ALA 110 1HB ALA 110 20.241 10.592 -4.558 832 2HB ALA 110 2HB ALA 110 18.660 11.375 -4.333 833 3HB ALA 110 3HB ALA 110 20.128 12.362 -4.499 834 H LEU 111 H LEU 111 17.465 11.734 -2.239 835 HA LEU 111 HA LEU 111 17.569 14.578 -1.585 836 1HB LEU 111 2HB LEU 111 15.181 12.733 -1.551 837 2HB LEU 111 3HB LEU 111 15.190 14.490 -1.721 838 HG LEU 111 HG LEU 111 16.061 12.383 -3.749 839 1HD1 LEU 111 1HD1 LEU 111 14.259 13.321 -5.102 840 2HD1 LEU 111 2HD1 LEU 111 13.631 12.829 -3.519 841 3HD1 LEU 111 3HD1 LEU 111 13.922 14.546 -3.861 842 1HD2 LEU 111 1HD2 LEU 111 16.312 15.426 -3.963 843 2HD2 LEU 111 2HD2 LEU 111 17.661 14.270 -3.947 844 3HD2 LEU 111 3HD2 LEU 111 16.532 14.282 -5.303 845 H GLU 112 H GLU 112 17.354 11.552 0.180 846 HA GLU 112 HA GLU 112 17.342 11.032 2.328 847 1HB GLU 112 2HB GLU 112 17.504 14.039 2.895 848 2HB GLU 112 3HB GLU 112 17.507 12.812 4.109 849 1HG GLU 112 2HG GLU 112 19.530 11.761 3.114 850 2HG GLU 112 3HG GLU 112 19.510 12.943 1.797 851 H THR 113 H THR 113 15.100 10.881 0.804 852 HA THR 113 HA THR 113 12.909 11.473 2.686 853 HB THR 113 HB THR 113 11.586 12.649 1.148 854 HG1 THR 113 1HG THR 113 13.606 12.055 -0.732 855 1HG2 THR 113 1HG2 THR 113 13.517 14.035 2.191 856 2HG2 THR 113 2HG2 THR 113 14.326 13.844 0.631 857 3HG2 THR 113 3HG2 THR 113 12.800 14.705 0.724 858 H VAL 114 H VAL 114 10.838 10.504 1.846 859 HA VAL 114 HA VAL 114 11.190 8.154 0.091 860 HB VAL 114 HB VAL 114 11.364 7.230 2.277 861 1HG1 VAL 114 1HG1 VAL 114 8.843 8.715 3.120 862 2HG1 VAL 114 2HG1 VAL 114 9.756 7.551 4.094 863 3HG1 VAL 114 3HG1 VAL 114 10.488 9.097 3.663 864 1HG2 VAL 114 1HG2 VAL 114 9.775 6.057 0.701 865 2HG2 VAL 114 2HG2 VAL 114 9.508 5.721 2.418 866 3HG2 VAL 114 3HG2 VAL 114 8.440 6.844 1.577 867 H THR 115 H THR 115 9.572 7.863 -1.364 868 HA THR 115 HA THR 115 7.238 9.674 -1.287 869 HB THR 115 HB THR 115 7.989 7.435 -3.176 870 HG1 THR 115 1HG THR 115 8.573 10.220 -3.344 871 1HG2 THR 115 1HG2 THR 115 5.615 8.064 -3.309 872 2HG2 THR 115 2HG2 THR 115 6.080 9.771 -3.480 873 3HG2 THR 115 3HG2 THR 115 6.499 8.596 -4.748 874 H VAL 116 H VAL 116 5.217 8.842 -0.693 875 HA VAL 116 HA VAL 116 5.032 6.018 0.279 876 HB VAL 116 HB VAL 116 5.403 7.235 2.234 877 1HG1 VAL 116 1HG1 VAL 116 3.971 9.331 2.736 878 2HG1 VAL 116 2HG1 VAL 116 5.383 9.507 1.689 879 3HG1 VAL 116 3HG1 VAL 116 3.752 9.434 1.006 880 1HG2 VAL 116 1HG2 VAL 116 3.327 7.149 3.463 881 2HG2 VAL 116 2HG2 VAL 116 2.375 7.178 1.976 882 3HG2 VAL 116 3HG2 VAL 116 3.401 5.774 2.347 883 H GLU 117 H GLU 117 3.693 5.109 -1.179 884 HA GLU 117 HA GLU 117 1.365 6.657 -2.207 885 1HB GLU 117 2HB GLU 117 2.857 4.182 -3.105 886 2HB GLU 117 3HB GLU 117 1.151 4.390 -3.523 887 1HG GLU 117 2HG GLU 117 1.525 6.455 -4.586 888 2HG GLU 117 3HG GLU 117 3.272 6.439 -4.211 889 H TYR 118 H TYR 118 -0.198 6.549 -0.637 890 HA TYR 118 HA TYR 118 -1.062 3.860 0.185 891 1HB TYR 118 2HB TYR 118 -0.808 4.128 2.466 892 2HB TYR 118 3HB TYR 118 0.696 4.838 1.894 893 HD1 TYR 118 HD1 TYR 118 0.123 7.595 1.226 894 HD2 TYR 118 HD2 TYR 118 -1.634 5.164 4.333 895 HE1 TYR 118 HE1 TYR 118 -0.474 9.615 2.457 896 HE2 TYR 118 HE2 TYR 118 -2.180 7.196 5.600 897 HH TYR 118 HH TYR 118 -1.532 10.479 4.340 898 H ASN 119 H ASN 119 -3.084 3.914 1.426 899 HA ASN 119 HA ASN 119 -4.958 5.785 0.128 900 1HB ASN 119 2HB ASN 119 -5.612 3.513 0.128 901 2HB ASN 119 3HB ASN 119 -5.280 3.349 1.866 902 1HD2 ASN 119 1HD2 ASN 119 -7.477 2.509 1.883 903 2HD2 ASN 119 2HD2 ASN 119 -8.791 3.594 2.179 904 HA PRO 120 HA PRO 120 -4.380 8.088 3.989 905 1HB PRO 120 2HB PRO 120 -5.174 10.552 3.209 906 2HB PRO 120 3HB PRO 120 -3.732 9.801 2.475 907 1HG PRO 120 2HG PRO 120 -6.560 9.773 1.360 908 2HG PRO 120 3HG PRO 120 -5.069 10.307 0.525 909 1HD PRO 120 2HD PRO 120 -6.071 7.762 0.276 910 2HD PRO 120 3HD PRO 120 -4.323 8.112 0.268 911 H LYS 121 H LYS 121 -7.086 6.621 2.944 912 HA LYS 121 HA LYS 121 -8.867 8.009 4.911 913 1HB LYS 121 2HB LYS 121 -9.569 5.802 2.980 914 2HB LYS 121 3HB LYS 121 -10.655 6.842 3.918 915 1HG LYS 121 2HG LYS 121 -8.922 7.582 1.524 916 2HG LYS 121 3HG LYS 121 -10.676 7.472 1.593 917 1HD LYS 121 2HD LYS 121 -10.638 9.387 3.290 918 2HD LYS 121 3HD LYS 121 -8.894 9.508 2.998 919 1HE LYS 121 2HE LYS 121 -9.667 9.607 0.426 920 2HE LYS 121 3HE LYS 121 -11.202 10.131 1.134 921 1HZ LYS 121 1HZ LYS 121 -9.807 11.983 0.597 922 2HZ LYS 121 2HZ LYS 121 -9.937 11.906 2.237 923 3HZ LYS 121 3HZ LYS 121 -8.559 11.398 1.490 924 H GLU 122 H GLU 122 -7.951 4.673 3.906 925 HA GLU 122 HA GLU 122 -8.809 3.394 6.232 926 1HB GLU 122 2HB GLU 122 -6.921 2.703 4.000 927 2HB GLU 122 3HB GLU 122 -6.750 1.794 5.475 928 1HG GLU 122 2HG GLU 122 -8.146 0.586 3.947 929 2HG GLU 122 3HG GLU 122 -8.970 0.948 5.446 930 H ALA 123 H ALA 123 -5.627 4.855 5.501 931 HA ALA 123 HA ALA 123 -4.960 4.776 8.409 932 1HB ALA 123 1HB ALA 123 -3.602 3.058 7.259 933 2HB ALA 123 2HB ALA 123 -3.035 4.281 6.100 934 3HB ALA 123 3HB ALA 123 -2.599 4.406 7.820 935 H SER 124 H SER 124 -2.987 6.456 8.647 936 HA SER 124 HA SER 124 -3.260 8.787 6.896 937 1HB SER 124 2HB SER 124 -5.134 9.138 8.416 938 2HB SER 124 3HB SER 124 -4.086 8.872 9.828 939 HG SER 124 HG SER 124 -4.461 11.132 9.185 940 H VAL 125 H VAL 125 -1.624 10.361 7.461 941 HA VAL 125 HA VAL 125 0.944 9.369 7.735 942 HB VAL 125 HB VAL 125 0.103 12.160 8.664 943 1HG1 VAL 125 1HG1 VAL 125 2.649 11.043 7.422 944 2HG1 VAL 125 2HG1 VAL 125 2.328 12.770 7.677 945 3HG1 VAL 125 3HG1 VAL 125 2.449 11.680 9.059 946 1HG2 VAL 125 1HG2 VAL 125 0.560 12.743 6.181 947 2HG2 VAL 125 2HG2 VAL 125 0.321 11.008 5.876 948 3HG2 VAL 125 3HG2 VAL 125 -0.988 11.989 6.559 949 H SER 126 H SER 126 -1.184 10.522 10.399 950 HA SER 126 HA SER 126 0.651 10.401 12.487 951 1HB SER 126 2HB SER 126 -2.296 9.682 12.537 952 2HB SER 126 3HB SER 126 -1.298 10.127 13.939 953 HG SER 126 HG SER 126 -2.444 11.937 12.968 954 H ASP 127 H ASP 127 -1.071 7.636 10.969 955 HA ASP 127 HA ASP 127 -0.332 5.664 12.945 956 1HB ASP 127 2HB ASP 127 -2.110 5.170 11.377 957 2HB ASP 127 3HB ASP 127 -1.049 5.474 9.986 958 H LEU 128 H LEU 128 1.032 6.807 9.896 959 HA LEU 128 HA LEU 128 3.317 5.086 9.847 960 1HB LEU 128 2HB LEU 128 2.713 7.728 8.485 961 2HB LEU 128 3HB LEU 128 4.200 6.843 8.208 962 HG LEU 128 HG LEU 128 1.393 5.735 7.750 963 1HD1 LEU 128 1HD1 LEU 128 3.527 6.722 5.832 964 2HD1 LEU 128 2HD1 LEU 128 2.011 5.922 5.349 965 3HD1 LEU 128 3HD1 LEU 128 1.952 7.492 6.168 966 1HD2 LEU 128 1HD2 LEU 128 4.176 4.562 7.308 967 2HD2 LEU 128 2HD2 LEU 128 2.803 3.834 8.174 968 3HD2 LEU 128 3HD2 LEU 128 2.752 3.974 6.421 969 H LYS 129 H LYS 129 2.818 8.339 11.206 970 HA LYS 129 HA LYS 129 5.533 8.627 12.092 971 1HB LYS 129 2HB LYS 129 3.024 9.967 13.121 972 2HB LYS 129 3HB LYS 129 4.686 10.339 13.618 973 1HG LYS 129 2HG LYS 129 5.175 10.501 11.044 974 2HG LYS 129 3HG LYS 129 3.455 10.717 10.855 975 1HD LYS 129 2HD LYS 129 5.124 12.456 12.750 976 2HD LYS 129 3HD LYS 129 5.121 12.738 11.017 977 1HE LYS 129 2HE LYS 129 3.557 14.242 12.094 978 2HE LYS 129 3HE LYS 129 2.752 13.175 10.946 979 1HZ LYS 129 1HZ LYS 129 2.776 12.824 13.877 980 2HZ LYS 129 2HZ LYS 129 1.497 13.335 12.972 981 3HZ LYS 129 3HZ LYS 129 2.066 11.804 12.803 982 H GLU 130 H GLU 130 2.630 7.145 13.734 983 HA GLU 130 HA GLU 130 4.040 6.594 16.143 984 1HB GLU 130 2HB GLU 130 1.549 6.502 15.594 985 2HB GLU 130 3HB GLU 130 1.827 4.908 14.892 986 1HG GLU 130 2HG GLU 130 2.563 5.675 17.767 987 2HG GLU 130 3HG GLU 130 0.994 5.050 17.244 988 H ALA 131 H ALA 131 3.656 4.738 13.110 989 HA ALA 131 HA ALA 131 4.957 2.385 13.963 990 1HB ALA 131 1HB ALA 131 4.730 3.531 11.144 991 2HB ALA 131 2HB ALA 131 5.109 1.851 11.569 992 3HB ALA 131 3HB ALA 131 3.515 2.527 11.963 993 H VAL 132 H VAL 132 6.277 5.234 12.126 994 HA VAL 132 HA VAL 132 8.853 4.059 11.977 995 HB VAL 132 HB VAL 132 7.812 5.657 10.386 996 1HG1 VAL 132 1HG1 VAL 132 7.574 7.946 10.818 997 2HG1 VAL 132 2HG1 VAL 132 7.201 7.248 12.370 998 3HG1 VAL 132 3HG1 VAL 132 8.793 7.942 12.123 999 1HG2 VAL 132 1HG2 VAL 132 10.543 6.633 11.359 1000 2HG2 VAL 132 2HG2 VAL 132 10.318 5.048 10.616 1001 3HG2 VAL 132 3HG2 VAL 132 9.958 6.492 9.684 1002 H ASP 133 H ASP 133 7.272 6.229 14.375 1003 HA ASP 133 HA ASP 133 9.593 6.912 15.759 1004 1HB ASP 133 2HB ASP 133 6.711 6.777 16.395 1005 2HB ASP 133 3HB ASP 133 7.701 6.319 17.766 1006 H LYS 134 H LYS 134 7.631 3.945 15.867 1007 HA LYS 134 HA LYS 134 9.338 2.562 17.713 1008 1HB LYS 134 2HB LYS 134 6.907 2.016 16.189 1009 2HB LYS 134 3HB LYS 134 7.988 0.643 16.067 1010 1HG LYS 134 2HG LYS 134 7.540 -0.020 18.182 1011 2HG LYS 134 3HG LYS 134 7.869 1.574 18.852 1012 1HD LYS 134 2HD LYS 134 5.626 1.169 19.394 1013 2HD LYS 134 3HD LYS 134 5.606 2.347 18.076 1014 1HE LYS 134 2HE LYS 134 5.319 0.208 16.525 1015 2HE LYS 134 3HE LYS 134 4.916 -0.620 18.039 1016 1HZ LYS 134 1HZ LYS 134 3.284 1.489 18.186 1017 2HZ LYS 134 2HZ LYS 134 3.471 1.515 16.636 1018 3HZ LYS 134 3HZ LYS 134 2.856 0.149 17.296 1019 H LEU 135 H LEU 135 10.022 3.381 14.465 1020 HA LEU 135 HA LEU 135 12.070 1.232 14.222 1021 1HB LEU 135 2HB LEU 135 10.992 3.353 12.369 1022 2HB LEU 135 3HB LEU 135 12.610 2.752 12.122 1023 HG LEU 135 HG LEU 135 10.883 1.656 10.739 1024 1HD1 LEU 135 1HD1 LEU 135 11.830 -0.518 10.849 1025 2HD1 LEU 135 2HD1 LEU 135 13.094 0.641 11.294 1026 3HD1 LEU 135 3HD1 LEU 135 12.293 -0.324 12.553 1027 1HD2 LEU 135 1HD2 LEU 135 9.414 -0.056 11.669 1028 2HD2 LEU 135 2HD2 LEU 135 9.945 0.325 13.311 1029 3HD2 LEU 135 3HD2 LEU 135 9.048 1.528 12.355 1030 H GLY 136 H GLY 136 11.726 4.249 15.795 1031 1HA GLY 136 2HA GLY 136 13.325 5.134 17.184 1032 2HA GLY 136 3HA GLY 136 14.614 4.277 16.335 1033 H TYR 137 H TYR 137 13.128 5.523 13.775 1034 HA TYR 137 HA TYR 137 14.894 7.916 13.709 1035 1HB TYR 137 2HB TYR 137 13.248 6.772 11.461 1036 2HB TYR 137 3HB TYR 137 14.650 7.844 11.351 1037 HD1 TYR 137 HD1 TYR 137 14.136 5.124 9.942 1038 HD2 TYR 137 HD2 TYR 137 16.492 6.300 13.343 1039 HE1 TYR 137 HE1 TYR 137 15.301 2.938 9.904 1040 HE2 TYR 137 HE2 TYR 137 17.682 4.147 13.254 1041 HH TYR 137 HH TYR 137 17.605 2.012 12.483 1042 H LYS 138 H LYS 138 13.152 9.250 11.699 1043 HA LYS 138 HA LYS 138 10.546 9.384 12.714 1044 1HB LYS 138 2HB LYS 138 10.386 11.776 13.165 1045 2HB LYS 138 3HB LYS 138 11.197 10.874 14.415 1046 1HG LYS 138 2HG LYS 138 12.551 12.493 12.214 1047 2HG LYS 138 3HG LYS 138 12.176 13.150 13.783 1048 1HD LYS 138 2HD LYS 138 14.197 10.933 13.208 1049 2HD LYS 138 3HD LYS 138 14.505 12.594 13.606 1050 1HE LYS 138 2HE LYS 138 14.027 12.400 15.840 1051 2HE LYS 138 3HE LYS 138 12.896 11.063 15.650 1052 1HZ LYS 138 1HZ LYS 138 15.779 10.731 15.288 1053 2HZ LYS 138 2HZ LYS 138 14.965 10.432 16.685 1054 3HZ LYS 138 3HZ LYS 138 14.621 9.548 15.361 1055 H LEU 139 H LEU 139 9.197 10.582 11.243 1056 HA LEU 139 HA LEU 139 10.467 11.093 8.598 1057 1HB LEU 139 2HB LEU 139 7.589 10.404 9.228 1058 2HB LEU 139 3HB LEU 139 8.259 10.744 7.625 1059 HG LEU 139 HG LEU 139 9.074 8.442 9.419 1060 1HD1 LEU 139 1HD1 LEU 139 7.487 8.482 6.833 1061 2HD1 LEU 139 2HD1 LEU 139 7.831 7.047 7.831 1062 3HD1 LEU 139 3HD1 LEU 139 6.754 8.319 8.447 1063 1HD2 LEU 139 1HD2 LEU 139 10.959 8.958 8.036 1064 2HD2 LEU 139 2HD2 LEU 139 10.157 7.522 7.386 1065 3HD2 LEU 139 3HD2 LEU 139 9.925 9.097 6.588 1066 H LYS 140 H LYS 140 9.800 12.921 7.533 1067 HA LYS 140 HA LYS 140 8.446 15.114 9.069 1068 1HB LYS 140 2HB LYS 140 11.027 15.013 7.489 1069 2HB LYS 140 3HB LYS 140 10.218 16.548 7.809 1070 1HG LYS 140 2HG LYS 140 10.843 14.684 10.132 1071 2HG LYS 140 3HG LYS 140 12.177 15.508 9.340 1072 1HD LYS 140 2HD LYS 140 9.746 17.049 10.294 1073 2HD LYS 140 3HD LYS 140 11.100 16.634 11.376 1074 1HE LYS 140 2HE LYS 140 12.721 17.749 9.947 1075 2HE LYS 140 3HE LYS 140 11.512 18.108 8.719 1076 1HZ LYS 140 1HZ LYS 140 11.524 19.152 11.465 1077 2HZ LYS 140 2HZ LYS 140 11.999 19.971 10.120 1078 3HZ LYS 140 3HZ LYS 140 10.420 19.535 10.293 1079 H LEU 141 H LEU 141 7.803 16.878 7.353 1080 HA LEU 141 HA LEU 141 6.590 15.499 5.009 1081 1HB LEU 141 2HB LEU 141 6.141 18.260 6.203 1082 2HB LEU 141 3HB LEU 141 5.298 17.540 4.841 1083 HG LEU 141 HG LEU 141 3.878 17.442 6.716 1084 1HD1 LEU 141 1HD1 LEU 141 3.316 15.101 6.891 1085 2HD1 LEU 141 2HD1 LEU 141 3.883 15.421 5.244 1086 3HD1 LEU 141 3HD1 LEU 141 4.950 14.610 6.415 1087 1HD2 LEU 141 1HD2 LEU 141 4.281 16.505 8.842 1088 2HD2 LEU 141 2HD2 LEU 141 5.835 15.818 8.372 1089 3HD2 LEU 141 3HD2 LEU 141 5.645 17.584 8.510 1090 H LYS 142 H LYS 142 7.161 16.027 2.867 1091 HA LYS 142 HA LYS 142 9.500 17.809 2.498 1092 1HB LYS 142 2HB LYS 142 7.809 16.198 0.557 1093 2HB LYS 142 3HB LYS 142 9.029 17.382 0.068 1094 1HG LYS 142 2HG LYS 142 10.745 16.093 1.449 1095 2HG LYS 142 3HG LYS 142 9.508 14.842 1.633 1096 1HD LYS 142 2HD LYS 142 10.820 14.180 -0.265 1097 2HD LYS 142 3HD LYS 142 9.308 14.775 -0.881 1098 1HE LYS 142 2HE LYS 142 11.419 16.860 -0.767 1099 2HE LYS 142 3HE LYS 142 11.790 15.473 -1.800 1100 1HZ LYS 142 1HZ LYS 142 9.644 15.758 -2.880 1101 2HZ LYS 142 2HZ LYS 142 9.358 17.106 -2.031 1102 3HZ LYS 142 3HZ LYS 142 10.623 17.067 -3.092 1103 H GLY 143 H GLY 143 8.446 19.667 3.457 1104 1HA GLY 143 2HA GLY 143 7.882 21.858 2.954 1105 2HA GLY 143 3HA GLY 143 7.391 21.383 1.322 1106 H GLU 144 H GLU 144 5.403 19.760 1.410 1107 HA GLU 144 HA GLU 144 3.115 19.952 1.414 1108 1HB GLU 144 2HB GLU 144 3.899 19.591 4.310 1109 2HB GLU 144 3HB GLU 144 2.194 19.673 3.862 1110 1HG GLU 144 2HG GLU 144 3.972 17.742 2.356 1111 2HG GLU 144 3HG GLU 144 3.335 17.342 3.962 1112 H GLN 145 H GLN 145 3.999 22.244 0.803 1113 HA GLN 145 HA GLN 145 1.980 24.168 1.470 1114 1HB GLN 145 2HB GLN 145 4.641 24.348 2.839 1115 2HB GLN 145 3HB GLN 145 4.105 25.831 2.060 1116 1HG GLN 145 2HG GLN 145 2.095 24.425 3.813 1117 2HG GLN 145 3HG GLN 145 3.452 25.235 4.584 1118 1HE2 GLN 145 1HE2 GLN 145 3.586 27.530 4.506 1119 2HE2 GLN 145 2HE2 GLN 145 2.232 28.495 3.942 1120 H ASP 146 H ASP 146 5.352 23.835 0.354 1121 HA ASP 146 HA ASP 146 4.750 25.512 -2.018 1122 1HB ASP 146 2HB ASP 146 7.249 25.023 -0.362 1123 2HB ASP 146 3HB ASP 146 7.344 25.665 -2.007 1124 H SER 147 H SER 147 5.754 22.454 -1.077 1125 HA SER 147 HA SER 147 6.326 21.605 -3.895 1126 1HB SER 147 2HB SER 147 7.038 20.113 -1.356 1127 2HB SER 147 3HB SER 147 7.608 19.815 -3.010 1128 HG SER 147 HG SER 147 9.149 21.027 -1.795 1129 H ILE 148 H ILE 148 3.625 21.935 -2.452 1130 HA ILE 148 HA ILE 148 2.494 19.260 -2.378 1131 HB ILE 148 HB ILE 148 1.179 21.983 -2.679 1132 1HG1 ILE 148 2HG1 ILE 148 1.346 20.086 -0.294 1133 2HG1 ILE 148 3HG1 ILE 148 2.435 21.452 -0.546 1134 1HG2 ILE 148 1HG2 ILE 148 -0.373 20.408 -3.571 1135 2HG2 ILE 148 2HG2 ILE 148 -0.004 19.189 -2.327 1136 3HG2 ILE 148 3HG2 ILE 148 -0.914 20.659 -1.941 1137 1HD1 ILE 148 1HD1 ILE 148 -0.572 21.655 -0.096 1138 2HD1 ILE 148 2HD1 ILE 148 0.708 22.119 1.003 1139 3HD1 ILE 148 3HD1 ILE 148 0.496 23.015 -0.513 1140 H GLU 149 H GLU 149 3.606 18.455 -4.265 1141 HA GLU 149 HA GLU 149 3.033 19.500 -6.873 1142 1HB GLU 149 2HB GLU 149 5.137 18.303 -5.934 1143 2HB GLU 149 3HB GLU 149 4.305 16.799 -6.346 1144 1HG GLU 149 2HG GLU 149 4.155 17.580 -8.711 1145 2HG GLU 149 3HG GLU 149 4.921 19.115 -8.250 1146 H GLY 150 H GLY 150 0.587 19.261 -6.172 1147 1HA GLY 150 2HA GLY 150 -0.835 17.857 -8.058 1148 2HA GLY 150 3HA GLY 150 -0.712 16.717 -6.694 1149 H ARG 151 H ARG 151 -3.221 18.250 -7.663 1150 HA ARG 151 HA ARG 151 -3.899 19.597 -5.150 1151 1HB ARG 151 2HB ARG 151 -2.794 21.143 -6.927 1152 2HB ARG 151 3HB ARG 151 -4.242 20.906 -7.893 1153 1HG ARG 151 2HG ARG 151 -4.232 22.030 -5.037 1154 2HG ARG 151 3HG ARG 151 -3.972 23.017 -6.474 1155 1HD ARG 151 2HD ARG 151 -6.247 23.300 -5.961 1156 2HD ARG 151 3HD ARG 151 -6.170 22.217 -7.384 1157 HE ARG 151 HE ARG 151 -6.197 20.446 -5.338 1158 1HH1 ARG 151 2HH2 ARG 151 -8.488 23.009 -6.089 1159 2HH1 ARG 151 1HH2 ARG 151 -9.878 21.993 -5.816 1160 1HH2 ARG 151 2HH1 ARG 151 -7.769 19.154 -5.272 1161 2HH2 ARG 151 1HH1 ARG 151 -9.468 19.636 -5.184 Start of MODEL 4 1 1H MET 1 H1 MET 1 9.159 -18.293 0.032 2 2H MET 1 H2 MET 1 9.414 -19.829 -0.515 3 3H MET 1 H3 MET 1 8.039 -19.455 0.318 4 HA MET 1 HA MET 1 9.501 -20.675 1.715 5 1HB MET 1 2HB MET 1 11.441 -18.474 0.931 6 2HB MET 1 3HB MET 1 11.550 -19.245 2.517 7 1HG MET 1 2HG MET 1 11.738 -21.458 1.499 8 2HG MET 1 3HG MET 1 11.719 -20.733 -0.120 9 1HE MET 1 1HE MET 1 13.953 -22.755 1.171 10 2HE MET 1 2HE MET 1 13.961 -22.202 -0.524 11 3HE MET 1 3HE MET 1 15.420 -22.030 0.479 12 H LEU 2 H LEU 2 9.928 -17.106 2.086 13 HA LEU 2 HA LEU 2 8.837 -17.258 4.746 14 1HB LEU 2 2HB LEU 2 10.749 -15.830 3.707 15 2HB LEU 2 3HB LEU 2 9.487 -14.691 3.253 16 HG LEU 2 HG LEU 2 9.940 -15.746 6.096 17 1HD1 LEU 2 1HD1 LEU 2 11.979 -14.630 5.310 18 2HD1 LEU 2 2HD1 LEU 2 11.031 -13.209 4.816 19 3HD1 LEU 2 3HD1 LEU 2 11.155 -13.652 6.534 20 1HD2 LEU 2 1HD2 LEU 2 8.460 -13.282 5.057 21 2HD2 LEU 2 2HD2 LEU 2 7.721 -14.736 5.765 22 3HD2 LEU 2 3HD2 LEU 2 8.738 -13.688 6.763 23 H SER 3 H SER 3 6.801 -18.253 3.788 24 HA SER 3 HA SER 3 4.949 -16.669 2.307 25 1HB SER 3 2HB SER 3 4.553 -19.220 3.918 26 2HB SER 3 3HB SER 3 3.456 -18.585 2.674 27 HG SER 3 HG SER 3 5.014 -18.857 1.147 28 H GLU 4 H GLU 4 5.400 -14.896 4.138 29 HA GLU 4 HA GLU 4 3.318 -14.934 6.261 30 1HB GLU 4 2HB GLU 4 5.646 -13.092 5.655 31 2HB GLU 4 3HB GLU 4 4.303 -12.606 6.699 32 1HG GLU 4 2HG GLU 4 4.648 -14.506 8.183 33 2HG GLU 4 3HG GLU 4 5.950 -15.127 7.165 34 H GLN 5 H GLN 5 1.805 -15.250 4.644 35 HA GLN 5 HA GLN 5 0.723 -13.391 2.822 36 1HB GLN 5 2HB GLN 5 -0.580 -15.090 4.992 37 2HB GLN 5 3HB GLN 5 -1.517 -14.236 3.770 38 1HG GLN 5 2HG GLN 5 0.727 -16.198 3.047 39 2HG GLN 5 3HG GLN 5 -0.955 -16.703 3.291 40 1HE2 GLN 5 1HE2 GLN 5 0.913 -16.522 0.781 41 2HE2 GLN 5 2HE2 GLN 5 -0.224 -15.841 -0.364 42 H LYS 6 H LYS 6 -0.742 -11.616 3.088 43 HA LYS 6 HA LYS 6 -1.066 -10.381 5.694 44 1HB LYS 6 2HB LYS 6 0.290 -8.555 5.485 45 2HB LYS 6 3HB LYS 6 1.318 -9.753 4.714 46 1HG LYS 6 2HG LYS 6 -0.388 -7.585 3.409 47 2HG LYS 6 3HG LYS 6 1.363 -7.692 3.501 48 1HD LYS 6 2HD LYS 6 0.425 -10.101 2.182 49 2HD LYS 6 3HD LYS 6 -0.432 -8.754 1.449 50 1HE LYS 6 2HE LYS 6 2.568 -8.965 1.873 51 2HE LYS 6 3HE LYS 6 1.732 -9.433 0.378 52 1HZ LYS 6 1HZ LYS 6 1.709 -6.706 1.525 53 2HZ LYS 6 2HZ LYS 6 2.600 -7.191 0.222 54 3HZ LYS 6 3HZ LYS 6 0.968 -7.180 0.137 55 H GLU 7 H GLU 7 -2.575 -8.702 5.607 56 HA GLU 7 HA GLU 7 -4.340 -8.737 3.256 57 1HB GLU 7 2HB GLU 7 -4.898 -7.603 6.035 58 2HB GLU 7 3HB GLU 7 -6.033 -8.182 4.817 59 1HG GLU 7 2HG GLU 7 -6.057 -9.964 6.273 60 2HG GLU 7 3HG GLU 7 -4.740 -10.518 5.239 61 H ILE 8 H ILE 8 -3.990 -7.082 1.837 62 HA ILE 8 HA ILE 8 -3.293 -4.354 2.939 63 HB ILE 8 HB ILE 8 -1.811 -4.846 1.274 64 1HG1 ILE 8 2HG1 ILE 8 -2.927 -2.578 1.079 65 2HG1 ILE 8 3HG1 ILE 8 -1.996 -3.187 -0.283 66 1HG2 ILE 8 1HG2 ILE 8 -4.099 -5.958 -0.361 67 2HG2 ILE 8 2HG2 ILE 8 -2.543 -5.493 -1.059 68 3HG2 ILE 8 3HG2 ILE 8 -2.614 -6.731 0.233 69 1HD1 ILE 8 1HD1 ILE 8 -4.225 -3.899 -1.373 70 2HD1 ILE 8 2HD1 ILE 8 -5.016 -2.913 -0.126 71 3HD1 ILE 8 3HD1 ILE 8 -3.862 -2.194 -1.241 72 H ALA 9 H ALA 9 -4.961 -3.101 3.393 73 HA ALA 9 HA ALA 9 -7.570 -3.482 2.029 74 1HB ALA 9 1HB ALA 9 -7.621 -3.656 4.487 75 2HB ALA 9 2HB ALA 9 -6.799 -2.089 4.636 76 3HB ALA 9 3HB ALA 9 -8.437 -2.167 3.963 77 H MET 10 H MET 10 -8.040 -2.000 0.462 78 HA MET 10 HA MET 10 -7.164 0.820 0.846 79 1HB MET 10 2HB MET 10 -6.428 -0.888 -1.541 80 2HB MET 10 3HB MET 10 -6.778 0.820 -1.757 81 1HG MET 10 2HG MET 10 -5.064 1.216 0.195 82 2HG MET 10 3HG MET 10 -4.516 -0.401 -0.171 83 1HE MET 10 1HE MET 10 -3.631 0.451 -4.126 84 2HE MET 10 2HE MET 10 -3.735 -0.921 -3.015 85 3HE MET 10 3HE MET 10 -5.215 -0.066 -3.522 86 H GLN 11 H GLN 11 -8.389 2.323 -0.588 87 HA GLN 11 HA GLN 11 -11.138 1.348 -1.129 88 1HB GLN 11 2HB GLN 11 -9.911 4.101 -0.936 89 2HB GLN 11 3HB GLN 11 -11.519 3.818 -1.621 90 1HG GLN 11 2HG GLN 11 -12.261 2.761 0.478 91 2HG GLN 11 3HG GLN 11 -10.672 3.044 1.198 92 1HE2 GLN 11 1HE2 GLN 11 -12.623 4.084 2.619 93 2HE2 GLN 11 2HE2 GLN 11 -12.796 5.819 2.372 94 H VAL 12 H VAL 12 -11.985 1.176 -3.121 95 HA VAL 12 HA VAL 12 -10.408 1.942 -5.502 96 HB VAL 12 HB VAL 12 -10.107 -0.431 -5.215 97 1HG1 VAL 12 1HG1 VAL 12 -12.032 -2.007 -5.108 98 2HG1 VAL 12 2HG1 VAL 12 -11.945 -0.981 -3.662 99 3HG1 VAL 12 3HG1 VAL 12 -13.128 -0.637 -4.927 100 1HG2 VAL 12 1HG2 VAL 12 -12.339 0.003 -7.236 101 2HG2 VAL 12 2HG2 VAL 12 -10.628 0.412 -7.503 102 3HG2 VAL 12 3HG2 VAL 12 -11.118 -1.280 -7.254 103 H SER 13 H SER 13 -11.626 2.891 -7.078 104 HA SER 13 HA SER 13 -14.473 3.516 -6.436 105 1HB SER 13 2HB SER 13 -12.572 4.830 -8.375 106 2HB SER 13 3HB SER 13 -14.151 5.435 -7.842 107 HG SER 13 HG SER 13 -12.380 6.429 -6.696 108 H GLY 14 H GLY 14 -15.830 3.871 -8.424 109 1HA GLY 14 2HA GLY 14 -16.626 3.299 -10.524 110 2HA GLY 14 3HA GLY 14 -15.166 2.363 -10.863 111 H MET 15 H MET 15 -16.175 1.481 -7.800 112 HA MET 15 HA MET 15 -17.173 -1.091 -8.687 113 1HB MET 15 2HB MET 15 -17.108 0.206 -5.941 114 2HB MET 15 3HB MET 15 -17.734 -1.416 -6.280 115 1HG MET 15 2HG MET 15 -15.428 -1.842 -7.440 116 2HG MET 15 3HG MET 15 -14.893 -0.439 -6.506 117 1HE MET 15 1HE MET 15 -15.633 -1.810 -2.846 118 2HE MET 15 2HE MET 15 -15.208 -0.369 -3.802 119 3HE MET 15 3HE MET 15 -16.871 -1.003 -3.834 120 H THR 16 H THR 16 -19.024 -1.009 -9.866 121 HA THR 16 HA THR 16 -21.331 0.458 -9.212 122 HB THR 16 HB THR 16 -21.193 -2.190 -10.714 123 HG1 THR 16 1HG THR 16 -20.441 0.438 -11.480 124 1HG2 THR 16 1HG2 THR 16 -22.886 -1.111 -12.181 125 2HG2 THR 16 2HG2 THR 16 -23.478 -1.336 -10.528 126 3HG2 THR 16 3HG2 THR 16 -22.956 0.275 -11.070 127 H CYS 17 H CYS 17 -20.124 -2.449 -7.762 128 HA CYS 17 HA CYS 17 -20.814 -3.622 -5.955 129 1HB CYS 17 2HB CYS 17 -21.693 -1.792 -4.762 130 2HB CYS 17 3HB CYS 17 -23.173 -1.708 -5.741 131 HG CYS 17 HG CYS 17 -23.685 -2.691 -3.398 132 H ALA 18 H ALA 18 -20.958 -5.479 -6.909 133 HA ALA 18 HA ALA 18 -22.591 -7.350 -7.213 134 1HB ALA 18 1HB ALA 18 -23.844 -7.301 -9.378 135 2HB ALA 18 2HB ALA 18 -24.469 -6.164 -8.197 136 3HB ALA 18 3HB ALA 18 -23.462 -5.570 -9.541 137 H ALA 19 H ALA 19 -22.129 -6.905 -10.517 138 HA ALA 19 HA ALA 19 -20.134 -8.826 -10.621 139 1HB ALA 19 1HB ALA 19 -20.878 -6.787 -12.751 140 2HB ALA 19 2HB ALA 19 -20.020 -8.321 -13.012 141 3HB ALA 19 3HB ALA 19 -21.701 -8.336 -12.447 142 H CYS 20 H CYS 20 -19.667 -5.288 -10.333 143 HA CYS 20 HA CYS 20 -17.126 -5.203 -11.634 144 1HB CYS 20 2HB CYS 20 -18.603 -3.375 -9.688 145 2HB CYS 20 3HB CYS 20 -16.983 -2.992 -10.289 146 HG CYS 20 HG CYS 20 -18.713 -1.659 -11.731 147 H ALA 21 H ALA 21 -18.039 -5.141 -8.201 148 HA ALA 21 HA ALA 21 -15.425 -5.255 -7.126 149 1HB ALA 21 1HB ALA 21 -17.870 -6.419 -5.755 150 2HB ALA 21 2HB ALA 21 -16.514 -5.471 -5.094 151 3HB ALA 21 3HB ALA 21 -17.733 -4.671 -6.054 152 H ALA 22 H ALA 22 -17.843 -7.815 -7.810 153 HA ALA 22 HA ALA 22 -16.293 -10.073 -7.071 154 1HB ALA 22 1HB ALA 22 -17.863 -11.336 -8.454 155 2HB ALA 22 2HB ALA 22 -18.724 -10.114 -7.495 156 3HB ALA 22 3HB ALA 22 -18.427 -9.840 -9.228 157 H ARG 23 H ARG 23 -16.316 -8.217 -10.157 158 HA ARG 23 HA ARG 23 -14.766 -10.106 -11.600 159 1HB ARG 23 2HB ARG 23 -15.666 -7.266 -11.968 160 2HB ARG 23 3HB ARG 23 -14.132 -7.624 -12.711 161 1HG ARG 23 2HG ARG 23 -16.681 -9.220 -13.182 162 2HG ARG 23 3HG ARG 23 -15.987 -7.973 -14.236 163 1HD ARG 23 2HD ARG 23 -13.799 -9.581 -13.817 164 2HD ARG 23 3HD ARG 23 -15.082 -10.797 -13.767 165 HE ARG 23 HE ARG 23 -15.696 -9.275 -15.996 166 1HH1 ARG 23 2HH2 ARG 23 -12.857 -11.088 -14.982 167 2HH1 ARG 23 1HH2 ARG 23 -12.246 -11.359 -16.587 168 1HH2 ARG 23 2HH1 ARG 23 -14.904 -9.568 -18.145 169 2HH2 ARG 23 1HH1 ARG 23 -13.461 -10.478 -18.435 170 H ILE 24 H ILE 24 -13.904 -7.305 -9.517 171 HA ILE 24 HA ILE 24 -11.086 -7.539 -10.049 172 HB ILE 24 HB ILE 24 -12.579 -6.361 -7.686 173 1HG1 ILE 24 2HG1 ILE 24 -11.165 -4.844 -9.918 174 2HG1 ILE 24 3HG1 ILE 24 -12.813 -5.395 -10.199 175 1HG2 ILE 24 1HG2 ILE 24 -9.700 -6.070 -8.511 176 2HG2 ILE 24 2HG2 ILE 24 -10.512 -5.174 -7.206 177 3HG2 ILE 24 3HG2 ILE 24 -10.321 -6.923 -7.074 178 1HD1 ILE 24 1HD1 ILE 24 -12.061 -3.661 -7.830 179 2HD1 ILE 24 2HD1 ILE 24 -12.675 -3.073 -9.374 180 3HD1 ILE 24 3HD1 ILE 24 -13.697 -4.129 -8.387 181 H GLU 25 H GLU 25 -13.227 -8.762 -7.348 182 HA GLU 25 HA GLU 25 -11.194 -10.085 -5.958 183 1HB GLU 25 2HB GLU 25 -14.126 -10.849 -6.295 184 2HB GLU 25 3HB GLU 25 -13.031 -11.610 -5.132 185 1HG GLU 25 2HG GLU 25 -12.644 -9.476 -3.999 186 2HG GLU 25 3HG GLU 25 -13.685 -8.632 -5.157 187 H LYS 26 H LYS 26 -13.291 -11.460 -8.545 188 HA LYS 26 HA LYS 26 -11.999 -13.963 -8.564 189 1HB LYS 26 2HB LYS 26 -14.275 -13.327 -9.587 190 2HB LYS 26 3HB LYS 26 -13.344 -12.765 -10.988 191 1HG LYS 26 2HG LYS 26 -12.135 -15.159 -10.553 192 2HG LYS 26 3HG LYS 26 -13.686 -15.555 -9.847 193 1HD LYS 26 2HD LYS 26 -13.566 -14.340 -12.635 194 2HD LYS 26 3HD LYS 26 -13.017 -16.004 -12.403 195 1HE LYS 26 2HE LYS 26 -15.196 -16.617 -11.376 196 2HE LYS 26 3HE LYS 26 -15.797 -14.976 -11.674 197 1HZ LYS 26 1HZ LYS 26 -14.901 -16.889 -13.743 198 2HZ LYS 26 2HZ LYS 26 -16.462 -16.556 -13.370 199 3HZ LYS 26 3HZ LYS 26 -15.514 -15.388 -14.029 200 H GLY 27 H GLY 27 -11.447 -11.035 -10.565 201 1HA GLY 27 2HA GLY 27 -9.536 -12.044 -12.366 202 2HA GLY 27 3HA GLY 27 -9.684 -10.358 -11.833 203 H LEU 28 H LEU 28 -9.113 -10.545 -9.123 204 HA LEU 28 HA LEU 28 -6.236 -10.865 -9.185 205 1HB LEU 28 2HB LEU 28 -8.311 -10.092 -7.084 206 2HB LEU 28 3HB LEU 28 -6.657 -10.423 -6.598 207 HG LEU 28 HG LEU 28 -7.162 -7.974 -6.939 208 1HD1 LEU 28 1HD1 LEU 28 -4.860 -8.967 -7.025 209 2HD1 LEU 28 2HD1 LEU 28 -4.991 -9.045 -8.790 210 3HD1 LEU 28 3HD1 LEU 28 -5.074 -7.477 -7.969 211 1HD2 LEU 28 1HD2 LEU 28 -8.603 -8.106 -8.918 212 2HD2 LEU 28 2HD2 LEU 28 -7.294 -6.971 -9.053 213 3HD2 LEU 28 3HD2 LEU 28 -7.202 -8.538 -9.908 214 H LYS 29 H LYS 29 -8.944 -12.757 -7.809 215 HA LYS 29 HA LYS 29 -7.341 -14.631 -6.539 216 1HB LYS 29 2HB LYS 29 -9.877 -14.289 -6.405 217 2HB LYS 29 3HB LYS 29 -9.993 -15.456 -7.721 218 1HG LYS 29 2HG LYS 29 -9.416 -17.217 -6.309 219 2HG LYS 29 3HG LYS 29 -8.204 -16.276 -5.472 220 1HD LYS 29 2HD LYS 29 -9.647 -16.492 -3.727 221 2HD LYS 29 3HD LYS 29 -10.173 -14.959 -4.370 222 1HE LYS 29 2HE LYS 29 -12.190 -16.068 -4.037 223 2HE LYS 29 3HE LYS 29 -11.913 -16.353 -5.762 224 1HZ LYS 29 1HZ LYS 29 -12.549 -18.359 -4.601 225 2HZ LYS 29 2HZ LYS 29 -10.994 -18.526 -5.121 226 3HZ LYS 29 3HZ LYS 29 -11.308 -18.202 -3.538 227 H ARG 30 H ARG 30 -7.753 -14.128 -9.883 228 HA ARG 30 HA ARG 30 -7.043 -16.692 -10.892 229 1HB ARG 30 2HB ARG 30 -8.034 -14.465 -11.941 230 2HB ARG 30 3HB ARG 30 -6.348 -14.097 -12.291 231 1HG ARG 30 2HG ARG 30 -6.145 -16.113 -13.662 232 2HG ARG 30 3HG ARG 30 -7.689 -16.732 -13.055 233 1HD ARG 30 2HD ARG 30 -8.757 -15.822 -14.798 234 2HD ARG 30 3HD ARG 30 -8.410 -14.245 -14.127 235 HE ARG 30 HE ARG 30 -6.890 -13.837 -15.761 236 1HH1 ARG 30 2HH2 ARG 30 -7.286 -17.312 -15.539 237 2HH1 ARG 30 1HH2 ARG 30 -6.651 -17.678 -17.117 238 1HH2 ARG 30 2HH1 ARG 30 -6.041 -14.245 -17.890 239 2HH2 ARG 30 1HH1 ARG 30 -5.885 -15.870 -18.467 240 H MET 31 H MET 31 -5.074 -14.292 -9.278 241 HA MET 31 HA MET 31 -2.538 -14.977 -10.587 242 1HB MET 31 2HB MET 31 -3.231 -13.514 -8.021 243 2HB MET 31 3HB MET 31 -1.611 -13.591 -8.693 244 1HG MET 31 2HG MET 31 -3.660 -12.616 -10.631 245 2HG MET 31 3HG MET 31 -3.479 -11.635 -9.192 246 1HE MET 31 1HE MET 31 -1.793 -12.934 -12.478 247 2HE MET 31 2HE MET 31 -0.128 -12.334 -12.304 248 3HE MET 31 3HE MET 31 -0.700 -13.651 -11.270 249 HA PRO 32 HA PRO 32 -1.673 -18.539 -8.119 250 1HB PRO 32 2HB PRO 32 1.040 -18.603 -7.880 251 2HB PRO 32 3HB PRO 32 0.189 -18.866 -9.425 252 1HG PRO 32 2HG PRO 32 1.486 -16.322 -8.435 253 2HG PRO 32 3HG PRO 32 1.618 -17.067 -10.048 254 1HD PRO 32 2HD PRO 32 -0.111 -15.019 -9.505 255 2HD PRO 32 3HD PRO 32 -0.522 -16.304 -10.681 256 H GLY 33 H GLY 33 0.114 -15.600 -6.924 257 1HA GLY 33 2HA GLY 33 0.656 -16.729 -4.358 258 2HA GLY 33 3HA GLY 33 0.756 -15.020 -4.820 259 H VAL 34 H VAL 34 -2.265 -15.427 -5.635 260 HA VAL 34 HA VAL 34 -3.202 -14.002 -3.356 261 HB VAL 34 HB VAL 34 -3.929 -13.736 -5.723 262 1HG1 VAL 34 1HG1 VAL 34 -4.241 -16.343 -5.903 263 2HG1 VAL 34 2HG1 VAL 34 -5.859 -16.024 -5.302 264 3HG1 VAL 34 3HG1 VAL 34 -5.277 -15.254 -6.808 265 1HG2 VAL 34 1HG2 VAL 34 -6.559 -14.003 -4.499 266 2HG2 VAL 34 2HG2 VAL 34 -5.405 -13.336 -3.347 267 3HG2 VAL 34 3HG2 VAL 34 -5.629 -12.557 -4.916 268 H THR 35 H THR 35 -4.119 -14.652 -1.515 269 HA THR 35 HA THR 35 -4.704 -17.544 -1.226 270 HB THR 35 HB THR 35 -4.185 -15.397 0.818 271 HG1 THR 35 1HG THR 35 -2.538 -16.673 -0.465 272 1HG2 THR 35 1HG2 THR 35 -5.933 -16.853 1.751 273 2HG2 THR 35 2HG2 THR 35 -5.047 -18.298 1.205 274 3HG2 THR 35 3HG2 THR 35 -4.365 -17.258 2.473 275 H ASP 36 H ASP 36 -6.048 -14.202 -0.601 276 HA ASP 36 HA ASP 36 -8.594 -15.176 -1.537 277 1HB ASP 36 2HB ASP 36 -8.609 -15.887 0.885 278 2HB ASP 36 3HB ASP 36 -8.399 -14.196 1.347 279 H ALA 37 H ALA 37 -10.161 -13.400 -1.622 280 HA ALA 37 HA ALA 37 -8.954 -10.690 -1.788 281 1HB ALA 37 1HB ALA 37 -10.327 -12.037 -4.156 282 2HB ALA 37 2HB ALA 37 -9.782 -10.346 -4.064 283 3HB ALA 37 3HB ALA 37 -8.593 -11.664 -4.043 284 H ASN 38 H ASN 38 -10.375 -9.356 -0.760 285 HA ASN 38 HA ASN 38 -13.254 -10.177 -0.628 286 1HB ASN 38 2HB ASN 38 -11.615 -8.925 1.586 287 2HB ASN 38 3HB ASN 38 -13.298 -9.447 1.660 288 1HD2 ASN 38 1HD2 ASN 38 -12.520 -12.060 0.107 289 2HD2 ASN 38 2HD2 ASN 38 -11.774 -13.018 1.376 290 H VAL 39 H VAL 39 -14.616 -8.482 -1.037 291 HA VAL 39 HA VAL 39 -13.573 -5.669 -0.869 292 HB VAL 39 HB VAL 39 -13.781 -6.792 -3.118 293 1HG1 VAL 39 1HG1 VAL 39 -16.751 -6.272 -2.985 294 2HG1 VAL 39 2HG1 VAL 39 -15.806 -7.282 -4.113 295 3HG1 VAL 39 3HG1 VAL 39 -16.124 -7.832 -2.471 296 1HG2 VAL 39 1HG2 VAL 39 -14.519 -4.826 -4.196 297 2HG2 VAL 39 2HG2 VAL 39 -15.416 -4.273 -2.751 298 3HG2 VAL 39 3HG2 VAL 39 -13.641 -4.342 -2.746 299 H ASN 40 H ASN 40 -14.285 -4.777 0.846 300 HA ASN 40 HA ASN 40 -17.018 -5.278 1.866 301 1HB ASN 40 2HB ASN 40 -14.525 -3.911 2.840 302 2HB ASN 40 3HB ASN 40 -16.047 -3.179 3.327 303 1HD2 ASN 40 1HD2 ASN 40 -17.646 -4.403 4.519 304 2HD2 ASN 40 2HD2 ASN 40 -17.095 -5.769 5.469 305 H LEU 41 H LEU 41 -17.689 -4.743 -0.380 306 HA LEU 41 HA LEU 41 -17.719 -2.098 -1.383 307 1HB LEU 41 2HB LEU 41 -19.562 -2.818 -2.773 308 2HB LEU 41 3HB LEU 41 -18.289 -4.026 -2.699 309 HG LEU 41 HG LEU 41 -19.770 -5.201 -0.958 310 1HD1 LEU 41 1HD1 LEU 41 -21.477 -3.666 -0.336 311 2HD1 LEU 41 2HD1 LEU 41 -21.691 -3.103 -2.003 312 3HD1 LEU 41 3HD1 LEU 41 -22.288 -4.698 -1.502 313 1HD2 LEU 41 1HD2 LEU 41 -20.667 -4.932 -3.851 314 2HD2 LEU 41 2HD2 LEU 41 -19.423 -6.035 -3.228 315 3HD2 LEU 41 3HD2 LEU 41 -21.115 -6.265 -2.763 316 H ALA 42 H ALA 42 -19.310 -3.370 1.369 317 HA ALA 42 HA ALA 42 -21.431 -1.504 1.654 318 1HB ALA 42 1HB ALA 42 -21.296 -2.094 4.055 319 2HB ALA 42 2HB ALA 42 -21.199 -3.549 3.040 320 3HB ALA 42 3HB ALA 42 -19.727 -2.877 3.784 321 H THR 43 H THR 43 -17.934 -1.212 2.099 322 HA THR 43 HA THR 43 -18.277 1.648 2.856 323 HB THR 43 HB THR 43 -16.230 1.351 4.306 324 HG1 THR 43 1HG THR 43 -16.919 -1.386 3.990 325 1HG2 THR 43 1HG2 THR 43 -18.545 1.445 5.269 326 2HG2 THR 43 2HG2 THR 43 -18.646 -0.323 5.163 327 3HG2 THR 43 3HG2 THR 43 -17.440 0.433 6.218 328 H GLU 44 H GLU 44 -17.546 -0.221 0.406 329 HA GLU 44 HA GLU 44 -16.270 -0.156 -1.407 330 1HB GLU 44 2HB GLU 44 -15.998 2.772 -0.647 331 2HB GLU 44 3HB GLU 44 -15.521 2.097 -2.208 332 1HG GLU 44 2HG GLU 44 -17.807 1.335 -2.648 333 2HG GLU 44 3HG GLU 44 -18.348 1.937 -1.071 334 H THR 45 H THR 45 -14.868 -1.398 0.648 335 HA THR 45 HA THR 45 -12.091 -0.345 0.410 336 HB THR 45 HB THR 45 -13.786 -1.356 2.695 337 HG1 THR 45 1HG THR 45 -11.814 0.621 2.898 338 1HG2 THR 45 1HG2 THR 45 -11.939 -2.817 2.910 339 2HG2 THR 45 2HG2 THR 45 -10.797 -1.530 2.440 340 3HG2 THR 45 3HG2 THR 45 -11.652 -1.461 4.008 341 H VAL 46 H VAL 46 -10.980 -1.703 -0.911 342 HA VAL 46 HA VAL 46 -11.781 -4.536 -1.220 343 HB VAL 46 HB VAL 46 -11.457 -3.266 -3.250 344 1HG1 VAL 46 1HG1 VAL 46 -9.743 -1.587 -2.625 345 2HG1 VAL 46 2HG1 VAL 46 -8.528 -2.877 -2.462 346 3HG1 VAL 46 3HG1 VAL 46 -9.258 -2.523 -4.029 347 1HG2 VAL 46 1HG2 VAL 46 -10.959 -5.656 -3.191 348 2HG2 VAL 46 2HG2 VAL 46 -9.920 -4.801 -4.355 349 3HG2 VAL 46 3HG2 VAL 46 -9.265 -5.284 -2.777 350 H ASN 47 H ASN 47 -10.765 -6.038 -0.072 351 HA ASN 47 HA ASN 47 -8.210 -5.384 1.299 352 1HB ASN 47 2HB ASN 47 -10.527 -7.119 2.220 353 2HB ASN 47 3HB ASN 47 -8.945 -7.064 3.013 354 1HD2 ASN 47 1HD2 ASN 47 -11.084 -6.531 4.594 355 2HD2 ASN 47 2HD2 ASN 47 -11.161 -4.810 4.926 356 H VAL 48 H VAL 48 -6.641 -6.511 0.215 357 HA VAL 48 HA VAL 48 -7.396 -9.176 -0.981 358 HB VAL 48 HB VAL 48 -5.091 -7.555 -2.023 359 1HG1 VAL 48 1HG1 VAL 48 -7.032 -9.524 -3.334 360 2HG1 VAL 48 2HG1 VAL 48 -5.533 -8.889 -4.029 361 3HG1 VAL 48 3HG1 VAL 48 -5.476 -10.006 -2.655 362 1HG2 VAL 48 1HG2 VAL 48 -8.008 -7.290 -2.861 363 2HG2 VAL 48 2HG2 VAL 48 -6.961 -5.992 -2.231 364 3HG2 VAL 48 3HG2 VAL 48 -6.627 -6.706 -3.810 365 H ILE 49 H ILE 49 -6.280 -10.981 -0.384 366 HA ILE 49 HA ILE 49 -3.981 -10.613 1.427 367 HB ILE 49 HB ILE 49 -6.033 -12.867 1.502 368 1HG1 ILE 49 2HG1 ILE 49 -6.471 -11.746 3.841 369 2HG1 ILE 49 3HG1 ILE 49 -5.884 -10.276 3.071 370 1HG2 ILE 49 1HG2 ILE 49 -4.927 -13.438 3.609 371 2HG2 ILE 49 2HG2 ILE 49 -3.757 -13.451 2.291 372 3HG2 ILE 49 3HG2 ILE 49 -3.801 -12.081 3.415 373 1HD1 ILE 49 1HD1 ILE 49 -8.341 -10.469 3.085 374 2HD1 ILE 49 2HD1 ILE 49 -7.759 -10.430 1.421 375 3HD1 ILE 49 3HD1 ILE 49 -8.250 -11.970 2.153 376 H TYR 50 H TYR 50 -2.098 -11.449 0.452 377 HA TYR 50 HA TYR 50 -2.167 -13.810 -1.274 378 1HB TYR 50 2HB TYR 50 -1.190 -12.606 -3.230 379 2HB TYR 50 3HB TYR 50 -2.825 -12.026 -2.876 380 HD1 TYR 50 HD1 TYR 50 0.763 -11.068 -2.722 381 HD2 TYR 50 HD2 TYR 50 -3.333 -9.903 -2.077 382 HE1 TYR 50 HE1 TYR 50 1.505 -8.793 -2.082 383 HE2 TYR 50 HE2 TYR 50 -2.630 -7.616 -1.736 384 HH TYR 50 HH TYR 50 -0.836 -6.301 -1.029 385 H ASP 51 H ASP 51 0.143 -14.265 -2.032 386 HA ASP 51 HA ASP 51 1.783 -13.931 0.308 387 1HB ASP 51 2HB ASP 51 1.542 -16.009 -1.439 388 2HB ASP 51 3HB ASP 51 2.954 -15.242 -2.124 389 HA PRO 52 HA PRO 52 4.093 -10.513 -1.614 390 1HB PRO 52 2HB PRO 52 5.874 -9.962 0.407 391 2HB PRO 52 3HB PRO 52 4.154 -9.555 0.470 392 1HG PRO 52 2HG PRO 52 5.549 -11.967 1.661 393 2HG PRO 52 3HG PRO 52 4.384 -10.886 2.471 394 1HD PRO 52 2HD PRO 52 3.705 -13.300 1.354 395 2HD PRO 52 3HD PRO 52 2.565 -11.923 1.393 396 H ALA 53 H ALA 53 4.680 -13.213 -2.472 397 HA ALA 53 HA ALA 53 7.407 -12.818 -3.329 398 1HB ALA 53 1HB ALA 53 7.797 -13.865 -1.047 399 2HB ALA 53 2HB ALA 53 6.782 -15.237 -1.565 400 3HB ALA 53 3HB ALA 53 8.328 -14.918 -2.377 401 H GLU 54 H GLU 54 4.836 -13.112 -4.431 402 HA GLU 54 HA GLU 54 5.526 -15.003 -6.528 403 1HB GLU 54 2HB GLU 54 2.925 -15.242 -4.947 404 2HB GLU 54 3HB GLU 54 3.147 -15.894 -6.580 405 1HG GLU 54 2HG GLU 54 5.180 -17.153 -5.604 406 2HG GLU 54 3HG GLU 54 4.494 -16.773 -4.013 407 H THR 55 H THR 55 3.104 -12.689 -5.186 408 HA THR 55 HA THR 55 2.281 -11.976 -7.954 409 HB THR 55 HB THR 55 0.901 -11.955 -5.263 410 HG1 THR 55 1HG THR 55 -0.470 -13.361 -6.474 411 1HG2 THR 55 1HG2 THR 55 -1.109 -11.238 -6.687 412 2HG2 THR 55 2HG2 THR 55 0.112 -10.009 -6.287 413 3HG2 THR 55 3HG2 THR 55 0.079 -10.745 -7.912 414 H GLY 56 H GLY 56 1.946 -9.975 -4.981 415 1HA GLY 56 2HA GLY 56 3.711 -8.445 -4.330 416 2HA GLY 56 3HA GLY 56 4.041 -8.106 -6.030 417 H THR 57 H THR 57 2.584 -6.896 -3.423 418 HA THR 57 HA THR 57 0.157 -5.818 -3.843 419 HB THR 57 HB THR 57 1.499 -5.300 -1.906 420 HG1 THR 57 1HG THR 57 -0.240 -3.853 -2.590 421 1HG2 THR 57 1HG2 THR 57 3.093 -3.346 -3.562 422 2HG2 THR 57 2HG2 THR 57 3.264 -3.781 -1.856 423 3HG2 THR 57 3HG2 THR 57 3.622 -4.990 -3.112 424 H ALA 58 H ALA 58 3.069 -4.588 -5.545 425 HA ALA 58 HA ALA 58 1.748 -2.456 -6.904 426 1HB ALA 58 1HB ALA 58 3.682 -2.589 -8.471 427 2HB ALA 58 2HB ALA 58 4.190 -2.604 -6.771 428 3HB ALA 58 3HB ALA 58 4.185 -4.113 -7.712 429 H ALA 59 H ALA 59 2.079 -5.964 -7.736 430 HA ALA 59 HA ALA 59 0.889 -5.609 -10.368 431 1HB ALA 59 1HB ALA 59 2.361 -7.500 -9.848 432 2HB ALA 59 2HB ALA 59 1.158 -8.093 -8.665 433 3HB ALA 59 3HB ALA 59 0.736 -7.996 -10.391 434 H ILE 60 H ILE 60 -0.195 -6.345 -7.055 435 HA ILE 60 HA ILE 60 -2.869 -7.102 -7.652 436 HB ILE 60 HB ILE 60 -1.929 -5.521 -5.232 437 1HG1 ILE 60 2HG1 ILE 60 -0.633 -7.682 -5.627 438 2HG1 ILE 60 3HG1 ILE 60 -1.426 -7.439 -4.098 439 1HG2 ILE 60 1HG2 ILE 60 -4.398 -7.201 -5.597 440 2HG2 ILE 60 2HG2 ILE 60 -3.776 -6.604 -4.045 441 3HG2 ILE 60 3HG2 ILE 60 -4.300 -5.459 -5.291 442 1HD1 ILE 60 1HD1 ILE 60 -2.466 -9.149 -6.373 443 2HD1 ILE 60 2HD1 ILE 60 -1.619 -9.704 -4.910 444 3HD1 ILE 60 3HD1 ILE 60 -3.220 -8.981 -4.759 445 H GLN 61 H GLN 61 -1.514 -3.888 -6.768 446 HA GLN 61 HA GLN 61 -3.962 -2.520 -7.267 447 1HB GLN 61 2HB GLN 61 -2.929 -0.590 -6.659 448 2HB GLN 61 3HB GLN 61 -1.939 -1.805 -5.856 449 1HG GLN 61 2HG GLN 61 -0.303 -0.433 -6.662 450 2HG GLN 61 3HG GLN 61 -0.406 -1.547 -8.006 451 1HE2 GLN 61 1HE2 GLN 61 -1.241 1.744 -6.899 452 2HE2 GLN 61 2HE2 GLN 61 -1.548 2.307 -8.533 453 H GLU 62 H GLU 62 -1.166 -3.312 -9.394 454 HA GLU 62 HA GLU 62 -2.003 -1.820 -11.648 455 1HB GLU 62 2HB GLU 62 0.201 -3.037 -11.337 456 2HB GLU 62 3HB GLU 62 -0.685 -4.556 -11.580 457 1HG GLU 62 2HG GLU 62 -1.442 -3.398 -13.806 458 2HG GLU 62 3HG GLU 62 -0.014 -2.393 -13.556 459 H LYS 63 H LYS 63 -3.082 -5.031 -10.354 460 HA LYS 63 HA LYS 63 -4.566 -5.690 -12.711 461 1HB LYS 63 2HB LYS 63 -3.853 -6.984 -10.232 462 2HB LYS 63 3HB LYS 63 -5.592 -6.919 -10.335 463 1HG LYS 63 2HG LYS 63 -5.116 -8.927 -11.331 464 2HG LYS 63 3HG LYS 63 -5.346 -7.878 -12.728 465 1HD LYS 63 2HD LYS 63 -2.693 -8.753 -11.470 466 2HD LYS 63 3HD LYS 63 -3.405 -9.417 -12.948 467 1HE LYS 63 2HE LYS 63 -3.207 -7.118 -14.010 468 2HE LYS 63 3HE LYS 63 -2.376 -6.566 -12.540 469 1HZ LYS 63 1HZ LYS 63 -0.815 -7.055 -14.107 470 2HZ LYS 63 2HZ LYS 63 -0.675 -8.189 -12.948 471 3HZ LYS 63 3HZ LYS 63 -1.370 -8.583 -14.405 472 H ILE 64 H ILE 64 -5.428 -4.015 -9.631 473 HA ILE 64 HA ILE 64 -8.199 -3.747 -10.214 474 HB ILE 64 HB ILE 64 -6.330 -1.826 -8.761 475 1HG1 ILE 64 2HG1 ILE 64 -8.276 -3.941 -7.702 476 2HG1 ILE 64 3HG1 ILE 64 -6.531 -4.183 -7.820 477 1HG2 ILE 64 1HG2 ILE 64 -8.447 -0.940 -7.767 478 2HG2 ILE 64 2HG2 ILE 64 -8.349 -0.657 -9.495 479 3HG2 ILE 64 3HG2 ILE 64 -9.365 -1.980 -8.873 480 1HD1 ILE 64 1HD1 ILE 64 -6.172 -2.231 -6.303 481 2HD1 ILE 64 2HD1 ILE 64 -7.929 -2.171 -6.031 482 3HD1 ILE 64 3HD1 ILE 64 -7.013 -3.609 -5.566 483 H GLU 65 H GLU 65 -5.380 -1.727 -11.256 484 HA GLU 65 HA GLU 65 -6.955 0.074 -12.799 485 1HB GLU 65 2HB GLU 65 -4.076 -0.775 -13.327 486 2HB GLU 65 3HB GLU 65 -4.928 0.605 -14.025 487 1HG GLU 65 2HG GLU 65 -5.287 1.473 -11.664 488 2HG GLU 65 3HG GLU 65 -4.181 0.211 -11.101 489 H LYS 66 H LYS 66 -5.241 -2.895 -13.949 490 HA LYS 66 HA LYS 66 -6.242 -2.673 -16.609 491 1HB LYS 66 2HB LYS 66 -5.103 -4.960 -14.999 492 2HB LYS 66 3HB LYS 66 -5.879 -5.261 -16.554 493 1HG LYS 66 2HG LYS 66 -3.819 -4.984 -17.343 494 2HG LYS 66 3HG LYS 66 -4.320 -3.301 -17.445 495 1HD LYS 66 2HD LYS 66 -3.248 -2.965 -15.161 496 2HD LYS 66 3HD LYS 66 -2.704 -4.648 -15.240 497 1HE LYS 66 2HE LYS 66 -0.803 -3.808 -16.149 498 2HE LYS 66 3HE LYS 66 -1.723 -3.722 -17.640 499 1HZ LYS 66 1HZ LYS 66 -0.612 -1.659 -17.085 500 2HZ LYS 66 2HZ LYS 66 -2.242 -1.419 -17.068 501 3HZ LYS 66 3HZ LYS 66 -1.406 -1.548 -15.655 502 H LEU 67 H LEU 67 -7.847 -4.098 -13.707 503 HA LEU 67 HA LEU 67 -9.953 -5.326 -15.230 504 1HB LEU 67 2HB LEU 67 -9.376 -4.575 -12.369 505 2HB LEU 67 3HB LEU 67 -11.017 -4.951 -12.804 506 HG LEU 67 HG LEU 67 -9.495 -6.798 -11.891 507 1HD1 LEU 67 1HD1 LEU 67 -11.808 -7.097 -12.660 508 2HD1 LEU 67 2HD1 LEU 67 -11.256 -7.242 -14.341 509 3HD1 LEU 67 3HD1 LEU 67 -10.819 -8.482 -13.146 510 1HD2 LEU 67 1HD2 LEU 67 -8.735 -7.143 -14.822 511 2HD2 LEU 67 2HD2 LEU 67 -7.622 -6.671 -13.528 512 3HD2 LEU 67 3HD2 LEU 67 -8.403 -8.248 -13.484 513 H GLY 68 H GLY 68 -9.188 -2.013 -14.732 514 1HA GLY 68 2HA GLY 68 -10.199 -0.380 -16.012 515 2HA GLY 68 3HA GLY 68 -11.688 -1.324 -16.154 516 H TYR 69 H TYR 69 -9.800 -0.489 -13.240 517 HA TYR 69 HA TYR 69 -11.974 1.319 -12.271 518 1HB TYR 69 2HB TYR 69 -10.525 -0.825 -10.680 519 2HB TYR 69 3HB TYR 69 -11.709 0.308 -10.038 520 HD1 TYR 69 HD1 TYR 69 -14.115 0.174 -10.792 521 HD2 TYR 69 HD2 TYR 69 -11.199 -2.760 -11.960 522 HE1 TYR 69 HE1 TYR 69 -15.915 -1.222 -11.757 523 HE2 TYR 69 HE2 TYR 69 -13.047 -4.213 -12.840 524 HH TYR 69 HH TYR 69 -16.359 -3.074 -13.095 525 H HIS 70 H HIS 70 -10.993 2.440 -10.163 526 HA HIS 70 HA HIS 70 -8.129 3.120 -10.574 527 1HB HIS 70 2HB HIS 70 -10.477 5.046 -10.515 528 2HB HIS 70 3HB HIS 70 -8.909 5.512 -9.865 529 HD1 HIS 70 1HD HIS 70 -8.642 3.376 -12.972 530 HD2 HIS 70 2HD HIS 70 -8.764 7.421 -11.805 531 HE1 HIS 70 1HE HIS 70 -7.841 4.744 -14.973 532 H VAL 71 H VAL 71 -7.078 3.488 -8.689 533 HA VAL 71 HA VAL 71 -8.433 2.661 -6.188 534 HB VAL 71 HB VAL 71 -6.158 2.479 -5.342 535 1HG1 VAL 71 1HG1 VAL 71 -5.470 0.511 -6.616 536 2HG1 VAL 71 2HG1 VAL 71 -7.224 0.536 -6.361 537 3HG1 VAL 71 3HG1 VAL 71 -6.545 0.965 -7.950 538 1HG2 VAL 71 1HG2 VAL 71 -4.191 2.641 -6.800 539 2HG2 VAL 71 2HG2 VAL 71 -5.182 3.078 -8.191 540 3HG2 VAL 71 3HG2 VAL 71 -5.025 4.200 -6.827 541 H VAL 72 H VAL 72 -8.330 4.020 -4.304 542 HA VAL 72 HA VAL 72 -8.299 6.889 -5.015 543 HB VAL 72 HB VAL 72 -9.184 5.383 -2.532 544 1HG1 VAL 72 1HG1 VAL 72 -8.870 7.603 -1.704 545 2HG1 VAL 72 2HG1 VAL 72 -9.466 8.333 -3.217 546 3HG1 VAL 72 3HG1 VAL 72 -10.574 7.516 -2.097 547 1HG2 VAL 72 1HG2 VAL 72 -11.482 5.821 -3.348 548 2HG2 VAL 72 2HG2 VAL 72 -10.812 6.620 -4.785 549 3HG2 VAL 72 3HG2 VAL 72 -10.577 4.878 -4.528 550 H THR 73 H THR 73 -5.829 5.210 -4.710 551 HA THR 73 HA THR 73 -4.512 6.119 -2.371 552 HB THR 73 HB THR 73 -2.849 5.097 -4.630 553 HG1 THR 73 1HG THR 73 -3.850 3.035 -4.469 554 1HG2 THR 73 1HG2 THR 73 -3.584 4.036 -1.865 555 2HG2 THR 73 2HG2 THR 73 -2.188 3.522 -2.831 556 3HG2 THR 73 3HG2 THR 73 -2.284 5.191 -2.247 557 H GLU 74 H GLU 74 -2.493 7.458 -2.276 558 HA GLU 74 HA GLU 74 -2.148 9.227 -4.621 559 1HB GLU 74 2HB GLU 74 -2.080 11.220 -3.348 560 2HB GLU 74 3HB GLU 74 -3.585 10.397 -2.936 561 1HG GLU 74 2HG GLU 74 -2.376 9.506 -0.858 562 2HG GLU 74 3HG GLU 74 -1.034 10.573 -1.269 563 H LYS 75 H LYS 75 -0.138 9.839 -5.003 564 HA LYS 75 HA LYS 75 2.094 8.482 -3.603 565 1HB LYS 75 2HB LYS 75 3.380 8.840 -5.524 566 2HB LYS 75 3HB LYS 75 1.802 8.219 -6.038 567 1HG LYS 75 2HG LYS 75 1.120 10.589 -6.545 568 2HG LYS 75 3HG LYS 75 2.825 11.040 -6.310 569 1HD LYS 75 2HD LYS 75 3.523 9.412 -8.020 570 2HD LYS 75 3HD LYS 75 1.829 8.931 -8.272 571 1HE LYS 75 2HE LYS 75 1.263 11.237 -8.993 572 2HE LYS 75 3HE LYS 75 2.936 11.752 -8.717 573 1HZ LYS 75 1HZ LYS 75 3.629 10.230 -10.431 574 2HZ LYS 75 2HZ LYS 75 2.080 9.724 -10.679 575 3HZ LYS 75 3HZ LYS 75 2.506 11.275 -11.023 576 H ALA 76 H ALA 76 2.752 9.550 -1.894 577 HA ALA 76 HA ALA 76 3.223 12.531 -2.146 578 1HB ALA 76 1HB ALA 76 1.431 12.070 -0.560 579 2HB ALA 76 2HB ALA 76 2.461 10.917 0.312 580 3HB ALA 76 3HB ALA 76 2.889 12.643 0.270 581 H GLU 77 H GLU 77 5.070 13.325 -0.805 582 HA GLU 77 HA GLU 77 7.237 11.299 -0.525 583 1HB GLU 77 2HB GLU 77 7.449 14.142 -1.604 584 2HB GLU 77 3HB GLU 77 8.800 13.172 -0.995 585 1HG GLU 77 2HG GLU 77 8.323 11.428 -2.699 586 2HG GLU 77 3HG GLU 77 7.095 12.490 -3.401 587 H PHE 78 H PHE 78 8.220 11.249 1.342 588 HA PHE 78 HA PHE 78 7.889 13.471 3.293 589 1HB PHE 78 2HB PHE 78 7.854 10.470 3.702 590 2HB PHE 78 3HB PHE 78 8.190 11.606 4.997 591 HD1 PHE 78 1HD PHE 78 6.333 12.292 6.354 592 HD2 PHE 78 2HD PHE 78 5.611 10.905 2.329 593 HE1 PHE 78 1HE PHE 78 3.947 12.866 6.571 594 HE2 PHE 78 2HE PHE 78 3.263 11.661 2.513 595 HZ PHE 78 HZ PHE 78 2.466 12.739 4.557 596 H ASP 79 H ASP 79 9.670 13.801 4.617 597 HA ASP 79 HA ASP 79 12.332 13.097 3.451 598 1HB ASP 79 2HB ASP 79 11.957 15.439 3.249 599 2HB ASP 79 3HB ASP 79 11.132 15.548 4.812 600 H ILE 80 H ILE 80 13.846 12.089 4.858 601 HA ILE 80 HA ILE 80 12.608 11.132 7.397 602 HB ILE 80 HB ILE 80 14.956 9.991 5.876 603 1HG1 ILE 80 2HG1 ILE 80 11.993 9.683 5.325 604 2HG1 ILE 80 3HG1 ILE 80 13.269 10.176 4.208 605 1HG2 ILE 80 1HG2 ILE 80 14.381 9.204 8.260 606 2HG2 ILE 80 2HG2 ILE 80 12.863 8.585 7.586 607 3HG2 ILE 80 3HG2 ILE 80 14.417 7.946 7.025 608 1HD1 ILE 80 1HD1 ILE 80 12.912 8.050 3.587 609 2HD1 ILE 80 2HD1 ILE 80 14.339 7.912 4.628 610 3HD1 ILE 80 3HD1 ILE 80 12.709 7.473 5.259 611 H GLU 81 H GLU 81 13.551 11.576 9.392 612 HA GLU 81 HA GLU 81 16.377 12.623 9.361 613 1HB GLU 81 2HB GLU 81 15.703 13.920 11.385 614 2HB GLU 81 3HB GLU 81 15.126 14.501 9.819 615 1HG GLU 81 2HG GLU 81 12.897 13.620 10.205 616 2HG GLU 81 3HG GLU 81 13.435 12.840 11.699 617 H GLY 82 H GLY 82 17.291 10.609 9.652 618 1HA GLY 82 2HA GLY 82 17.650 9.866 12.371 619 2HA GLY 82 3HA GLY 82 16.478 8.760 11.634 620 H MET 83 H MET 83 17.418 8.257 9.119 621 HA MET 83 HA MET 83 19.308 6.373 9.449 622 1HB MET 83 2HB MET 83 19.464 6.278 7.040 623 2HB MET 83 3HB MET 83 17.790 6.635 7.489 624 1HG MET 83 2HG MET 83 19.806 8.680 6.456 625 2HG MET 83 3HG MET 83 18.565 7.868 5.528 626 1HE MET 83 1HE MET 83 19.455 11.022 6.427 627 2HE MET 83 2HE MET 83 18.132 11.873 7.234 628 3HE MET 83 3HE MET 83 19.187 10.798 8.167 629 H THR 84 H THR 84 21.455 6.094 9.355 630 HA THR 84 HA THR 84 23.230 8.249 8.431 631 HB THR 84 HB THR 84 22.934 8.924 10.713 632 HG1 THR 84 1HG THR 84 25.330 7.479 10.313 633 1HG2 THR 84 1HG2 THR 84 22.040 6.888 11.744 634 2HG2 THR 84 2HG2 THR 84 23.603 6.063 11.542 635 3HG2 THR 84 3HG2 THR 84 23.458 7.460 12.627 636 H CYS 85 H CYS 85 22.549 5.890 7.224 637 HA CYS 85 HA CYS 85 23.566 4.252 6.058 638 1HB CYS 85 2HB CYS 85 25.383 5.934 5.809 639 2HB CYS 85 3HB CYS 85 26.238 5.194 7.182 640 HG CYS 85 HG CYS 85 26.448 2.838 6.199 641 H ALA 86 H ALA 86 22.352 3.561 8.359 642 HA ALA 86 HA ALA 86 23.764 0.992 8.925 643 1HB ALA 86 1HB ALA 86 22.773 0.986 11.176 644 2HB ALA 86 2HB ALA 86 23.863 2.371 10.966 645 3HB ALA 86 3HB ALA 86 22.103 2.611 10.906 646 H ALA 87 H ALA 87 22.249 1.497 6.741 647 HA ALA 87 HA ALA 87 20.450 0.874 5.511 648 1HB ALA 87 1HB ALA 87 20.346 -1.379 7.560 649 2HB ALA 87 2HB ALA 87 19.711 -1.427 5.908 650 3HB ALA 87 3HB ALA 87 21.454 -1.295 6.174 651 H CYS 88 H CYS 88 19.749 2.777 7.822 652 HA CYS 88 HA CYS 88 17.474 1.804 9.153 653 1HB CYS 88 2HB CYS 88 18.233 4.668 8.507 654 2HB CYS 88 3HB CYS 88 17.110 4.155 9.771 655 HG CYS 88 HG CYS 88 18.982 2.529 10.889 656 H ALA 89 H ALA 89 17.786 3.924 6.321 657 HA ALA 89 HA ALA 89 15.052 4.258 5.684 658 1HB ALA 89 1HB ALA 89 17.647 4.845 4.465 659 2HB ALA 89 2HB ALA 89 16.479 4.298 3.255 660 3HB ALA 89 3HB ALA 89 16.102 5.677 4.308 661 H ASN 90 H ASN 90 17.297 1.569 5.032 662 HA ASN 90 HA ASN 90 15.507 0.309 3.125 663 1HB ASN 90 2HB ASN 90 17.830 -0.904 4.648 664 2HB ASN 90 3HB ASN 90 16.993 -1.609 3.261 665 1HD2 ASN 90 1HD2 ASN 90 19.785 -1.224 3.169 666 2HD2 ASN 90 2HD2 ASN 90 20.111 0.071 2.030 667 H ARG 91 H ARG 91 16.208 -0.012 6.604 668 HA ARG 91 HA ARG 91 14.416 -2.194 7.089 669 1HB ARG 91 2HB ARG 91 16.188 -0.471 8.609 670 2HB ARG 91 3HB ARG 91 14.641 -0.453 9.424 671 1HG ARG 91 2HG ARG 91 15.695 -3.142 8.542 672 2HG ARG 91 3HG ARG 91 16.593 -2.314 9.799 673 1HD ARG 91 2HD ARG 91 13.584 -2.482 10.070 674 2HD ARG 91 3HD ARG 91 14.508 -3.932 10.387 675 HE ARG 91 HE ARG 91 14.368 -1.525 12.026 676 1HH1 ARG 91 2HH2 ARG 91 16.401 -4.275 11.199 677 2HH1 ARG 91 1HH2 ARG 91 17.262 -4.324 12.704 678 1HH2 ARG 91 2HH1 ARG 91 15.545 -1.493 14.038 679 2HH2 ARG 91 1HH1 ARG 91 16.766 -2.681 14.346 680 H ILE 92 H ILE 92 13.886 1.349 7.427 681 HA ILE 92 HA ILE 92 11.099 0.984 8.025 682 HB ILE 92 HB ILE 92 10.858 3.391 7.372 683 1HG1 ILE 92 2HG1 ILE 92 13.593 4.156 7.511 684 2HG1 ILE 92 3HG1 ILE 92 13.349 3.012 6.188 685 1HG2 ILE 92 1HG2 ILE 92 12.090 4.215 9.330 686 2HG2 ILE 92 2HG2 ILE 92 11.164 2.750 9.670 687 3HG2 ILE 92 3HG2 ILE 92 12.929 2.651 9.455 688 1HD1 ILE 92 1HD1 ILE 92 11.748 5.553 6.606 689 2HD1 ILE 92 2HD1 ILE 92 13.019 5.285 5.390 690 3HD1 ILE 92 3HD1 ILE 92 11.507 4.376 5.287 691 H GLU 93 H GLU 93 12.814 1.131 4.832 692 HA GLU 93 HA GLU 93 10.628 1.545 3.197 693 1HB GLU 93 2HB GLU 93 12.976 1.495 2.418 694 2HB GLU 93 3HB GLU 93 13.094 -0.233 2.715 695 1HG GLU 93 2HG GLU 93 10.974 0.865 0.896 696 2HG GLU 93 3HG GLU 93 12.647 0.664 0.349 697 H LYS 94 H LYS 94 12.043 -1.636 4.144 698 HA LYS 94 HA LYS 94 10.031 -3.237 3.040 699 1HB LYS 94 2HB LYS 94 11.736 -3.656 5.542 700 2HB LYS 94 3HB LYS 94 10.505 -4.813 5.053 701 1HG LYS 94 2HG LYS 94 12.398 -5.726 4.179 702 2HG LYS 94 3HG LYS 94 11.607 -4.981 2.781 703 1HD LYS 94 2HD LYS 94 13.120 -3.093 2.843 704 2HD LYS 94 3HD LYS 94 13.834 -3.618 4.368 705 1HE LYS 94 2HE LYS 94 13.926 -5.340 1.849 706 2HE LYS 94 3HE LYS 94 15.120 -4.075 2.153 707 1HZ LYS 94 1HZ LYS 94 15.734 -5.146 4.176 708 2HZ LYS 94 2HZ LYS 94 14.590 -6.315 3.993 709 3HZ LYS 94 3HZ LYS 94 15.853 -6.227 2.943 710 H ARG 95 H ARG 95 9.821 -1.231 5.909 711 HA ARG 95 HA ARG 95 7.349 -2.605 6.839 712 1HB ARG 95 2HB ARG 95 9.010 -0.313 7.844 713 2HB ARG 95 3HB ARG 95 7.310 -0.368 8.291 714 1HG ARG 95 2HG ARG 95 9.010 -2.861 8.551 715 2HG ARG 95 3HG ARG 95 9.160 -1.591 9.758 716 1HD ARG 95 2HD ARG 95 6.496 -2.848 8.965 717 2HD ARG 95 3HD ARG 95 7.484 -3.410 10.328 718 HE ARG 95 HE ARG 95 7.223 -0.705 10.784 719 1HH1 ARG 95 2HH2 ARG 95 4.900 -3.322 10.315 720 2HH1 ARG 95 1HH2 ARG 95 3.680 -2.639 11.342 721 1HH2 ARG 95 2HH1 ARG 95 5.679 0.165 12.260 722 2HH2 ARG 95 1HH1 ARG 95 4.125 -0.581 12.437 723 H LEU 96 H LEU 96 8.061 0.726 5.775 724 HA LEU 96 HA LEU 96 5.454 1.636 5.340 725 1HB LEU 96 2HB LEU 96 8.088 2.333 4.052 726 2HB LEU 96 3HB LEU 96 6.572 3.048 3.510 727 HG LEU 96 HG LEU 96 6.559 3.205 6.384 728 1HD1 LEU 96 1HD1 LEU 96 8.468 4.776 6.683 729 2HD1 LEU 96 2HD1 LEU 96 8.894 3.077 6.462 730 3HD1 LEU 96 3HD1 LEU 96 9.109 4.226 5.116 731 1HD2 LEU 96 1HD2 LEU 96 6.875 5.375 4.269 732 2HD2 LEU 96 2HD2 LEU 96 5.331 4.646 4.770 733 3HD2 LEU 96 3HD2 LEU 96 6.288 5.583 5.933 734 H ASN 97 H ASN 97 7.512 -0.102 3.039 735 HA ASN 97 HA ASN 97 6.295 -0.275 0.692 736 1HB ASN 97 2HB ASN 97 8.248 -1.582 1.550 737 2HB ASN 97 3HB ASN 97 7.133 -2.727 2.287 738 1HD2 ASN 97 1HD2 ASN 97 9.117 -2.110 -0.301 739 2HD2 ASN 97 2HD2 ASN 97 8.348 -3.094 -1.543 740 H LYS 98 H LYS 98 4.992 -1.913 3.615 741 HA LYS 98 HA LYS 98 2.355 -2.018 2.434 742 1HB LYS 98 2HB LYS 98 2.057 -4.444 2.432 743 2HB LYS 98 3HB LYS 98 3.257 -3.888 1.270 744 1HG LYS 98 2HG LYS 98 4.909 -4.397 3.381 745 2HG LYS 98 3HG LYS 98 3.626 -5.516 3.783 746 1HD LYS 98 2HD LYS 98 4.291 -6.986 2.185 747 2HD LYS 98 3HD LYS 98 4.387 -5.712 0.933 748 1HE LYS 98 2HE LYS 98 6.568 -4.976 1.926 749 2HE LYS 98 3HE LYS 98 6.518 -6.365 3.015 750 1HZ LYS 98 1HZ LYS 98 7.837 -6.743 1.039 751 2HZ LYS 98 2HZ LYS 98 6.569 -7.784 1.060 752 3HZ LYS 98 3HZ LYS 98 6.554 -6.461 0.063 753 H ILE 99 H ILE 99 2.830 -0.580 4.542 754 HA ILE 99 HA ILE 99 2.568 -1.915 7.082 755 HB ILE 99 HB ILE 99 1.754 0.840 6.111 756 1HG1 ILE 99 2HG1 ILE 99 4.173 0.255 6.392 757 2HG1 ILE 99 3HG1 ILE 99 3.609 1.660 7.302 758 1HG2 ILE 99 1HG2 ILE 99 1.498 1.408 8.581 759 2HG2 ILE 99 2HG2 ILE 99 0.169 0.528 7.838 760 3HG2 ILE 99 3HG2 ILE 99 1.324 -0.336 8.874 761 1HD1 ILE 99 1HD1 ILE 99 4.146 -1.117 8.447 762 2HD1 ILE 99 2HD1 ILE 99 5.138 0.338 8.644 763 3HD1 ILE 99 3HD1 ILE 99 3.535 0.276 9.376 764 H GLU 100 H GLU 100 -0.011 -0.273 5.270 765 HA GLU 100 HA GLU 100 -1.832 -2.572 5.660 766 1HB GLU 100 2HB GLU 100 -2.350 0.267 6.666 767 2HB GLU 100 3HB GLU 100 -3.640 -0.919 6.338 768 1HG GLU 100 2HG GLU 100 -2.588 -2.465 7.983 769 2HG GLU 100 3HG GLU 100 -1.419 -1.198 8.393 770 H GLY 101 H GLY 101 -3.194 0.472 4.736 771 1HA GLY 101 2HA GLY 101 -3.591 -0.478 2.023 772 2HA GLY 101 3HA GLY 101 -4.186 1.034 2.750 773 H VAL 102 H VAL 102 -0.941 -0.357 2.180 774 HA VAL 102 HA VAL 102 -0.120 2.166 0.812 775 HB VAL 102 HB VAL 102 1.673 0.158 2.207 776 1HG1 VAL 102 1HG1 VAL 102 2.880 1.243 0.460 777 2HG1 VAL 102 2HG1 VAL 102 2.090 2.804 0.758 778 3HG1 VAL 102 3HG1 VAL 102 3.268 2.201 1.902 779 1HG2 VAL 102 1HG2 VAL 102 0.833 2.926 3.158 780 2HG2 VAL 102 2HG2 VAL 102 0.276 1.399 3.862 781 3HG2 VAL 102 3HG2 VAL 102 1.990 1.842 3.937 782 H ALA 103 H ALA 103 0.179 1.979 -1.308 783 HA ALA 103 HA ALA 103 0.008 -0.656 -2.571 784 1HB ALA 103 1HB ALA 103 0.285 2.113 -3.771 785 2HB ALA 103 2HB ALA 103 -0.056 0.616 -4.653 786 3HB ALA 103 3HB ALA 103 -1.249 1.253 -3.500 787 H ASN 104 H ASN 104 2.321 2.055 -2.103 788 HA ASN 104 HA ASN 104 4.608 0.268 -2.508 789 1HB ASN 104 2HB ASN 104 4.071 2.621 -4.397 790 2HB ASN 104 3HB ASN 104 5.650 1.879 -4.174 791 1HD2 ASN 104 1HD2 ASN 104 2.607 1.585 -5.822 792 2HD2 ASN 104 2HD2 ASN 104 3.032 0.090 -6.642 793 H ALA 105 H ALA 105 6.619 1.400 -1.945 794 HA ALA 105 HA ALA 105 6.482 4.098 -1.005 795 1HB ALA 105 1HB ALA 105 6.974 3.779 1.359 796 2HB ALA 105 2HB ALA 105 5.419 3.024 0.977 797 3HB ALA 105 3HB ALA 105 6.871 2.019 1.182 798 HA PRO 106 HA PRO 106 10.712 2.402 -2.023 799 1HB PRO 106 2HB PRO 106 11.383 4.051 -4.117 800 2HB PRO 106 3HB PRO 106 10.451 2.535 -4.303 801 1HG PRO 106 2HG PRO 106 9.391 5.351 -4.117 802 2HG PRO 106 3HG PRO 106 8.936 4.092 -5.297 803 1HD PRO 106 2HD PRO 106 7.405 4.559 -3.083 804 2HD PRO 106 3HD PRO 106 7.669 2.904 -3.696 805 H VAL 107 H VAL 107 12.695 3.332 -1.415 806 HA VAL 107 HA VAL 107 12.581 6.009 -0.125 807 HB VAL 107 HB VAL 107 13.949 3.489 0.922 808 1HG1 VAL 107 1HG1 VAL 107 13.529 6.266 2.114 809 2HG1 VAL 107 2HG1 VAL 107 14.131 4.868 3.014 810 3HG1 VAL 107 3HG1 VAL 107 15.084 5.529 1.676 811 1HG2 VAL 107 1HG2 VAL 107 12.202 3.603 2.740 812 2HG2 VAL 107 2HG2 VAL 107 11.378 4.840 1.793 813 3HG2 VAL 107 3HG2 VAL 107 11.525 3.197 1.153 814 H ASN 108 H ASN 108 14.511 7.229 -0.185 815 HA ASN 108 HA ASN 108 16.536 6.300 -2.187 816 1HB ASN 108 2HB ASN 108 15.781 9.085 -1.245 817 2HB ASN 108 3HB ASN 108 17.034 8.697 -2.431 818 1HD2 ASN 108 1HD2 ASN 108 16.160 7.240 -4.366 819 2HD2 ASN 108 2HD2 ASN 108 14.626 7.780 -5.015 820 H PHE 109 H PHE 109 18.704 6.658 -1.701 821 HA PHE 109 HA PHE 109 19.350 7.086 1.179 822 1HB PHE 109 2HB PHE 109 19.967 4.962 -0.583 823 2HB PHE 109 3HB PHE 109 21.449 5.896 -0.499 824 HD1 PHE 109 1HD PHE 109 22.831 5.758 1.486 825 HD2 PHE 109 2HD PHE 109 18.781 4.280 1.571 826 HE1 PHE 109 1HE PHE 109 23.273 4.676 3.660 827 HE2 PHE 109 2HE PHE 109 19.193 3.243 3.749 828 HZ PHE 109 HZ PHE 109 21.466 3.393 4.812 829 H ALA 110 H ALA 110 19.286 8.851 -1.555 830 HA ALA 110 HA ALA 110 21.885 10.274 -1.067 831 1HB ALA 110 1HB ALA 110 20.100 10.215 -3.540 832 2HB ALA 110 2HB ALA 110 21.606 11.134 -3.347 833 3HB ALA 110 3HB ALA 110 21.646 9.360 -3.340 834 H LEU 111 H LEU 111 18.414 10.714 -1.832 835 HA LEU 111 HA LEU 111 18.448 13.544 -1.141 836 1HB LEU 111 2HB LEU 111 16.086 11.709 -1.525 837 2HB LEU 111 3HB LEU 111 16.113 13.468 -1.687 838 HG LEU 111 HG LEU 111 17.328 11.372 -3.542 839 1HD1 LEU 111 1HD1 LEU 111 15.750 12.292 -5.172 840 2HD1 LEU 111 2HD1 LEU 111 14.894 11.745 -3.719 841 3HD1 LEU 111 3HD1 LEU 111 15.175 13.478 -3.982 842 1HD2 LEU 111 1HD2 LEU 111 18.005 13.292 -5.000 843 2HD2 LEU 111 2HD2 LEU 111 17.547 14.422 -3.708 844 3HD2 LEU 111 3HD2 LEU 111 18.898 13.290 -3.474 845 H GLU 112 H GLU 112 18.012 10.554 0.575 846 HA GLU 112 HA GLU 112 17.325 9.968 2.624 847 1HB GLU 112 2HB GLU 112 17.662 12.903 3.381 848 2HB GLU 112 3HB GLU 112 17.600 11.527 4.473 849 1HG GLU 112 2HG GLU 112 19.660 10.585 3.449 850 2HG GLU 112 3HG GLU 112 19.741 11.945 2.315 851 H THR 113 H THR 113 15.391 10.191 0.750 852 HA THR 113 HA THR 113 13.007 11.257 2.188 853 HB THR 113 HB THR 113 12.066 11.680 -0.080 854 HG1 THR 113 1HG THR 113 13.387 10.340 -1.383 855 1HG2 THR 113 1HG2 THR 113 13.388 13.683 -0.530 856 2HG2 THR 113 2HG2 THR 113 13.222 13.488 1.232 857 3HG2 THR 113 3HG2 THR 113 14.736 13.064 0.417 858 H VAL 114 H VAL 114 11.086 10.140 1.911 859 HA VAL 114 HA VAL 114 11.191 7.474 0.597 860 HB VAL 114 HB VAL 114 11.200 6.881 2.877 861 1HG1 VAL 114 1HG1 VAL 114 9.764 7.669 4.593 862 2HG1 VAL 114 2HG1 VAL 114 10.386 9.138 3.820 863 3HG1 VAL 114 3HG1 VAL 114 8.753 8.557 3.450 864 1HG2 VAL 114 1HG2 VAL 114 8.253 6.747 2.161 865 2HG2 VAL 114 2HG2 VAL 114 9.466 5.768 1.329 866 3HG2 VAL 114 3HG2 VAL 114 9.226 5.590 3.078 867 H THR 115 H THR 115 9.708 7.222 -0.927 868 HA THR 115 HA THR 115 7.520 9.206 -1.218 869 HB THR 115 HB THR 115 8.293 6.745 -2.810 870 HG1 THR 115 1HG THR 115 8.983 8.434 -4.311 871 1HG2 THR 115 1HG2 THR 115 6.810 7.695 -4.575 872 2HG2 THR 115 2HG2 THR 115 5.899 7.283 -3.118 873 3HG2 THR 115 3HG2 THR 115 6.314 8.979 -3.452 874 H VAL 116 H VAL 116 5.363 8.552 -0.734 875 HA VAL 116 HA VAL 116 4.955 5.782 0.269 876 HB VAL 116 HB VAL 116 5.231 7.337 2.193 877 1HG1 VAL 116 1HG1 VAL 116 2.610 8.615 1.329 878 2HG1 VAL 116 2HG1 VAL 116 3.561 8.952 2.775 879 3HG1 VAL 116 3HG1 VAL 116 4.203 9.380 1.177 880 1HG2 VAL 116 1HG2 VAL 116 4.001 5.294 2.467 881 2HG2 VAL 116 2HG2 VAL 116 3.135 6.577 3.329 882 3HG2 VAL 116 3HG2 VAL 116 2.541 6.010 1.759 883 H GLU 117 H GLU 117 3.567 4.871 -1.108 884 HA GLU 117 HA GLU 117 1.630 6.600 -2.546 885 1HB GLU 117 2HB GLU 117 3.537 4.994 -3.662 886 2HB GLU 117 3HB GLU 117 2.242 3.806 -3.483 887 1HG GLU 117 2HG GLU 117 2.180 6.412 -4.985 888 2HG GLU 117 3HG GLU 117 2.125 4.791 -5.678 889 H TYR 118 H TYR 118 -0.121 6.492 -1.047 890 HA TYR 118 HA TYR 118 -1.086 3.834 -0.260 891 1HB TYR 118 2HB TYR 118 -0.782 3.997 2.025 892 2HB TYR 118 3HB TYR 118 0.770 4.567 1.424 893 HD1 TYR 118 HD1 TYR 118 -1.617 5.050 3.872 894 HD2 TYR 118 HD2 TYR 118 0.589 7.372 0.985 895 HE1 TYR 118 HE1 TYR 118 -1.733 7.016 5.359 896 HE2 TYR 118 HE2 TYR 118 0.438 9.344 2.454 897 HH TYR 118 HH TYR 118 -0.309 10.169 4.451 898 H ASN 119 H ASN 119 -3.104 3.914 0.964 899 HA ASN 119 HA ASN 119 -4.751 6.005 -0.236 900 1HB ASN 119 2HB ASN 119 -5.528 3.676 -0.277 901 2HB ASN 119 3HB ASN 119 -5.596 3.663 1.497 902 1HD2 ASN 119 1HD2 ASN 119 -8.042 3.355 1.470 903 2HD2 ASN 119 2HD2 ASN 119 -9.008 4.698 0.928 904 HA PRO 120 HA PRO 120 -4.209 8.192 3.691 905 1HB PRO 120 2HB PRO 120 -5.156 10.634 3.045 906 2HB PRO 120 3HB PRO 120 -3.670 9.998 2.290 907 1HG PRO 120 2HG PRO 120 -6.487 9.825 1.153 908 2HG PRO 120 3HG PRO 120 -5.055 10.543 0.365 909 1HD PRO 120 2HD PRO 120 -5.760 7.997 -0.115 910 2HD PRO 120 3HD PRO 120 -4.045 8.418 0.089 911 H LYS 121 H LYS 121 -6.889 6.684 2.531 912 HA LYS 121 HA LYS 121 -8.754 7.967 4.503 913 1HB LYS 121 2HB LYS 121 -9.528 5.866 2.505 914 2HB LYS 121 3HB LYS 121 -10.544 6.966 3.425 915 1HG LYS 121 2HG LYS 121 -8.669 7.692 1.127 916 2HG LYS 121 3HG LYS 121 -10.422 7.678 1.111 917 1HD LYS 121 2HD LYS 121 -10.393 9.498 2.879 918 2HD LYS 121 3HD LYS 121 -8.632 9.567 2.679 919 1HE LYS 121 2HE LYS 121 -9.077 9.886 0.146 920 2HE LYS 121 3HE LYS 121 -10.771 10.158 0.586 921 1HZ LYS 121 1HZ LYS 121 -9.988 11.989 1.989 922 2HZ LYS 121 2HZ LYS 121 -8.441 11.730 1.482 923 3HZ LYS 121 3HZ LYS 121 -9.586 12.208 0.406 924 H GLU 122 H GLU 122 -7.609 4.664 3.488 925 HA GLU 122 HA GLU 122 -8.526 3.425 5.859 926 1HB GLU 122 2HB GLU 122 -6.621 2.658 3.682 927 2HB GLU 122 3HB GLU 122 -6.289 1.954 5.254 928 1HG GLU 122 2HG GLU 122 -7.623 0.371 4.253 929 2HG GLU 122 3HG GLU 122 -8.699 1.164 5.395 930 H ALA 123 H ALA 123 -5.349 4.956 5.136 931 HA ALA 123 HA ALA 123 -4.778 5.028 8.075 932 1HB ALA 123 1HB ALA 123 -3.396 3.277 7.016 933 2HB ALA 123 2HB ALA 123 -2.796 4.460 5.835 934 3HB ALA 123 3HB ALA 123 -2.405 4.640 7.560 935 H SER 124 H SER 124 -2.768 6.710 8.268 936 HA SER 124 HA SER 124 -2.829 8.952 6.446 937 1HB SER 124 2HB SER 124 -4.283 9.108 9.125 938 2HB SER 124 3HB SER 124 -3.619 10.541 8.327 939 HG SER 124 HG SER 124 -5.247 8.870 6.782 940 H VAL 125 H VAL 125 -1.207 10.631 7.274 941 HA VAL 125 HA VAL 125 1.126 9.674 7.944 942 HB VAL 125 HB VAL 125 1.670 11.898 8.672 943 1HG1 VAL 125 1HG1 VAL 125 1.453 11.314 6.259 944 2HG1 VAL 125 2HG1 VAL 125 -0.187 11.997 6.258 945 3HG1 VAL 125 3HG1 VAL 125 1.199 13.043 6.589 946 1HG2 VAL 125 1HG2 VAL 125 0.012 13.743 8.669 947 2HG2 VAL 125 2HG2 VAL 125 -1.299 12.566 8.506 948 3HG2 VAL 125 3HG2 VAL 125 -0.296 12.593 9.973 949 H SER 126 H SER 126 -1.307 10.397 10.507 950 HA SER 126 HA SER 126 0.302 10.296 12.759 951 1HB SER 126 2HB SER 126 -2.401 8.935 12.436 952 2HB SER 126 3HB SER 126 -1.737 9.693 13.894 953 HG SER 126 HG SER 126 -1.922 11.699 12.857 954 H ASP 127 H ASP 127 -0.868 7.625 10.730 955 HA ASP 127 HA ASP 127 -0.138 5.431 12.489 956 1HB ASP 127 2HB ASP 127 -1.721 4.865 10.833 957 2HB ASP 127 3HB ASP 127 -0.823 5.686 9.547 958 H LEU 128 H LEU 128 1.266 7.000 9.688 959 HA LEU 128 HA LEU 128 3.604 5.392 9.407 960 1HB LEU 128 2HB LEU 128 3.112 8.253 8.548 961 2HB LEU 128 3HB LEU 128 4.434 7.221 8.001 962 HG LEU 128 HG LEU 128 1.453 6.682 7.533 963 1HD1 LEU 128 1HD1 LEU 128 3.677 7.477 5.627 964 2HD1 LEU 128 2HD1 LEU 128 1.958 7.220 5.224 965 3HD1 LEU 128 3HD1 LEU 128 2.433 8.583 6.252 966 1HD2 LEU 128 1HD2 LEU 128 2.564 4.530 7.633 967 2HD2 LEU 128 2HD2 LEU 128 2.388 4.932 5.926 968 3HD2 LEU 128 3HD2 LEU 128 3.961 5.145 6.723 969 H LYS 129 H LYS 129 3.048 8.541 10.969 970 HA LYS 129 HA LYS 129 5.599 9.023 12.066 971 1HB LYS 129 2HB LYS 129 2.820 9.589 13.136 972 2HB LYS 129 3HB LYS 129 4.278 10.181 13.909 973 1HG LYS 129 2HG LYS 129 3.953 10.776 10.963 974 2HG LYS 129 3HG LYS 129 2.816 11.526 12.063 975 1HD LYS 129 2HD LYS 129 5.152 12.129 13.392 976 2HD LYS 129 3HD LYS 129 5.786 11.944 11.761 977 1HE LYS 129 2HE LYS 129 5.262 14.267 12.092 978 2HE LYS 129 3HE LYS 129 4.072 13.620 10.954 979 1HZ LYS 129 1HZ LYS 129 2.524 13.451 12.815 980 2HZ LYS 129 2HZ LYS 129 3.651 14.047 13.851 981 3HZ LYS 129 3HZ LYS 129 3.058 14.994 12.646 982 H GLU 130 H GLU 130 2.794 7.158 13.607 983 HA GLU 130 HA GLU 130 4.393 6.587 15.871 984 1HB GLU 130 2HB GLU 130 1.788 6.299 15.602 985 2HB GLU 130 3HB GLU 130 2.194 4.682 15.002 986 1HG GLU 130 2HG GLU 130 3.833 4.867 17.202 987 2HG GLU 130 3HG GLU 130 2.499 5.887 17.729 988 H ALA 131 H ALA 131 3.826 4.762 12.856 989 HA ALA 131 HA ALA 131 5.111 2.353 13.593 990 1HB ALA 131 1HB ALA 131 3.678 2.558 11.615 991 2HB ALA 131 2HB ALA 131 4.812 3.697 10.867 992 3HB ALA 131 3HB ALA 131 5.295 2.013 11.113 993 H VAL 132 H VAL 132 6.394 5.310 12.011 994 HA VAL 132 HA VAL 132 9.027 4.215 11.665 995 HB VAL 132 HB VAL 132 8.012 7.054 11.470 996 1HG1 VAL 132 1HG1 VAL 132 10.079 7.419 10.122 997 2HG1 VAL 132 2HG1 VAL 132 10.475 6.902 11.761 998 3HG1 VAL 132 3HG1 VAL 132 10.581 5.746 10.436 999 1HG2 VAL 132 1HG2 VAL 132 7.440 6.609 9.275 1000 2HG2 VAL 132 2HG2 VAL 132 8.725 5.408 9.055 1001 3HG2 VAL 132 3HG2 VAL 132 7.217 4.966 9.843 1002 H ASP 133 H ASP 133 7.399 6.248 14.122 1003 HA ASP 133 HA ASP 133 9.608 6.848 15.734 1004 1HB ASP 133 2HB ASP 133 7.118 7.593 15.939 1005 2HB ASP 133 3HB ASP 133 6.918 6.141 16.934 1006 H LYS 134 H LYS 134 7.396 4.057 15.871 1007 HA LYS 134 HA LYS 134 8.792 2.529 17.773 1008 1HB LYS 134 2HB LYS 134 6.536 2.192 16.067 1009 2HB LYS 134 3HB LYS 134 7.563 0.797 15.751 1010 1HG LYS 134 2HG LYS 134 7.566 0.208 18.124 1011 2HG LYS 134 3HG LYS 134 6.801 1.762 18.535 1012 1HD LYS 134 2HD LYS 134 4.843 1.083 17.061 1013 2HD LYS 134 3HD LYS 134 5.535 -0.545 16.996 1014 1HE LYS 134 2HE LYS 134 4.725 -1.043 19.075 1015 2HE LYS 134 3HE LYS 134 5.408 0.424 19.772 1016 1HZ LYS 134 1HZ LYS 134 3.086 0.562 20.002 1017 2HZ LYS 134 2HZ LYS 134 3.427 1.628 18.796 1018 3HZ LYS 134 3HZ LYS 134 2.797 0.194 18.427 1019 H LEU 135 H LEU 135 9.292 2.613 14.224 1020 HA LEU 135 HA LEU 135 11.462 0.692 14.267 1021 1HB LEU 135 2HB LEU 135 10.412 2.702 12.317 1022 2HB LEU 135 3HB LEU 135 12.058 2.159 12.086 1023 HG LEU 135 HG LEU 135 10.318 0.917 10.776 1024 1HD1 LEU 135 1HD1 LEU 135 11.379 -1.228 11.002 1025 2HD1 LEU 135 2HD1 LEU 135 12.589 0.053 11.166 1026 3HD1 LEU 135 3HD1 LEU 135 12.009 -0.811 12.610 1027 1HD2 LEU 135 1HD2 LEU 135 9.541 -0.258 13.479 1028 2HD2 LEU 135 2HD2 LEU 135 8.522 0.666 12.355 1029 3HD2 LEU 135 3HD2 LEU 135 9.112 -0.939 11.915 1030 H GLY 136 H GLY 136 11.326 4.031 15.256 1031 1HA GLY 136 2HA GLY 136 12.884 4.761 16.843 1032 2HA GLY 136 3HA GLY 136 14.165 3.804 16.104 1033 H TYR 137 H TYR 137 11.952 5.859 14.188 1034 HA TYR 137 HA TYR 137 13.986 8.001 13.946 1035 1HB TYR 137 2HB TYR 137 12.828 6.675 11.477 1036 2HB TYR 137 3HB TYR 137 14.135 7.847 11.567 1037 HD1 TYR 137 HD1 TYR 137 16.297 7.026 12.924 1038 HD2 TYR 137 HD2 TYR 137 13.262 4.357 11.454 1039 HE1 TYR 137 HE1 TYR 137 17.928 5.179 12.950 1040 HE2 TYR 137 HE2 TYR 137 14.846 2.461 11.656 1041 HH TYR 137 HH TYR 137 18.112 2.892 13.006 1042 H LYS 138 H LYS 138 12.625 9.431 11.845 1043 HA LYS 138 HA LYS 138 9.813 9.126 12.155 1044 1HB LYS 138 2HB LYS 138 9.204 11.351 12.885 1045 2HB LYS 138 3HB LYS 138 10.022 10.463 14.159 1046 1HG LYS 138 2HG LYS 138 11.376 12.552 12.410 1047 2HG LYS 138 3HG LYS 138 10.592 12.884 13.937 1048 1HD LYS 138 2HD LYS 138 12.122 10.945 14.894 1049 2HD LYS 138 3HD LYS 138 13.097 11.262 13.440 1050 1HE LYS 138 2HE LYS 138 13.184 13.695 14.132 1051 2HE LYS 138 3HE LYS 138 12.335 13.256 15.618 1052 1HZ LYS 138 1HZ LYS 138 14.945 12.215 14.721 1053 2HZ LYS 138 2HZ LYS 138 14.724 13.361 15.883 1054 3HZ LYS 138 3HZ LYS 138 14.199 11.820 16.142 1055 H LEU 139 H LEU 139 8.628 10.575 10.746 1056 HA LEU 139 HA LEU 139 10.211 11.293 8.333 1057 1HB LEU 139 2HB LEU 139 7.268 10.557 8.519 1058 2HB LEU 139 3HB LEU 139 8.215 10.876 7.065 1059 HG LEU 139 HG LEU 139 8.464 8.516 8.941 1060 1HD1 LEU 139 1HD1 LEU 139 7.724 8.789 5.997 1061 2HD1 LEU 139 2HD1 LEU 139 7.816 7.258 6.892 1062 3HD1 LEU 139 3HD1 LEU 139 6.587 8.466 7.324 1063 1HD2 LEU 139 1HD2 LEU 139 10.165 9.242 6.528 1064 2HD2 LEU 139 2HD2 LEU 139 10.730 9.043 8.203 1065 3HD2 LEU 139 3HD2 LEU 139 10.153 7.639 7.298 1066 H LYS 140 H LYS 140 9.762 13.192 7.343 1067 HA LYS 140 HA LYS 140 7.913 15.176 8.611 1068 1HB LYS 140 2HB LYS 140 10.535 15.647 7.133 1069 2HB LYS 140 3HB LYS 140 9.444 16.900 7.751 1070 1HG LYS 140 2HG LYS 140 9.891 16.139 10.088 1071 2HG LYS 140 3HG LYS 140 10.891 14.823 9.461 1072 1HD LYS 140 2HD LYS 140 12.383 16.531 10.112 1073 2HD LYS 140 3HD LYS 140 12.397 16.448 8.356 1074 1HE LYS 140 2HE LYS 140 10.904 18.493 8.330 1075 2HE LYS 140 3HE LYS 140 10.923 18.483 10.107 1076 1HZ LYS 140 1HZ LYS 140 13.258 18.779 8.344 1077 2HZ LYS 140 2HZ LYS 140 12.560 19.985 9.230 1078 3HZ LYS 140 3HZ LYS 140 13.319 18.728 9.988 1079 H LEU 141 H LEU 141 7.253 16.815 6.853 1080 HA LEU 141 HA LEU 141 6.329 15.211 4.519 1081 1HB LEU 141 2HB LEU 141 5.185 17.817 5.577 1082 2HB LEU 141 3HB LEU 141 4.471 16.651 4.466 1083 HG LEU 141 HG LEU 141 4.955 15.061 6.700 1084 1HD1 LEU 141 1HD1 LEU 141 5.619 17.061 8.060 1085 2HD1 LEU 141 2HD1 LEU 141 4.044 17.795 7.703 1086 3HD1 LEU 141 3HD1 LEU 141 4.135 16.300 8.656 1087 1HD2 LEU 141 1HD2 LEU 141 2.480 16.654 5.964 1088 2HD2 LEU 141 2HD2 LEU 141 2.956 15.030 5.422 1089 3HD2 LEU 141 3HD2 LEU 141 2.511 15.293 7.115 1090 H LYS 142 H LYS 142 7.068 15.794 2.457 1091 HA LYS 142 HA LYS 142 8.841 18.146 2.264 1092 1HB LYS 142 2HB LYS 142 7.898 16.141 0.200 1093 2HB LYS 142 3HB LYS 142 9.070 17.446 -0.066 1094 1HG LYS 142 2HG LYS 142 10.401 16.411 1.928 1095 2HG LYS 142 3HG LYS 142 9.321 15.023 1.750 1096 1HD LYS 142 2HD LYS 142 11.092 14.366 0.400 1097 2HD LYS 142 3HD LYS 142 10.005 15.117 -0.779 1098 1HE LYS 142 2HE LYS 142 11.386 17.317 -0.290 1099 2HE LYS 142 3HE LYS 142 12.569 16.225 0.438 1100 1HZ LYS 142 1HZ LYS 142 13.053 16.633 -1.865 1101 2HZ LYS 142 2HZ LYS 142 12.615 15.053 -1.714 1102 3HZ LYS 142 3HZ LYS 142 11.553 16.113 -2.341 1103 H GLY 143 H GLY 143 7.147 19.637 2.967 1104 1HA GLY 143 2HA GLY 143 6.037 21.554 2.289 1105 2HA GLY 143 3HA GLY 143 5.930 20.945 0.630 1106 H GLU 144 H GLU 144 4.596 18.761 0.571 1107 HA GLU 144 HA GLU 144 2.377 18.341 0.137 1108 1HB GLU 144 2HB GLU 144 2.484 18.042 3.168 1109 2HB GLU 144 3HB GLU 144 1.140 17.533 2.143 1110 1HG GLU 144 2HG GLU 144 2.802 16.149 0.788 1111 2HG GLU 144 3HG GLU 144 3.958 16.407 2.105 1112 H GLN 145 H GLN 145 2.465 20.768 -0.388 1113 HA GLN 145 HA GLN 145 -0.111 21.784 0.078 1114 1HB GLN 145 2HB GLN 145 1.714 22.596 2.171 1115 2HB GLN 145 3HB GLN 145 1.532 23.972 1.097 1116 1HG GLN 145 2HG GLN 145 -0.187 24.339 2.584 1117 2HG GLN 145 3HG GLN 145 -1.049 23.523 1.277 1118 1HE2 GLN 145 1HE2 GLN 145 0.653 22.920 4.409 1119 2HE2 GLN 145 2HE2 GLN 145 -0.454 21.651 4.915 1120 H ASP 146 H ASP 146 3.260 22.798 -0.455 1121 HA ASP 146 HA ASP 146 4.334 23.984 -2.015 1122 1HB ASP 146 2HB ASP 146 3.850 22.174 -3.563 1123 2HB ASP 146 3HB ASP 146 2.294 22.918 -3.980 1124 H SER 147 H SER 147 4.186 26.059 -1.438 1125 HA SER 147 HA SER 147 3.434 28.219 -1.305 1126 1HB SER 147 2HB SER 147 2.185 27.609 -4.023 1127 2HB SER 147 3HB SER 147 2.826 29.148 -3.430 1128 HG SER 147 HG SER 147 4.270 26.750 -4.061 1129 H ILE 148 H ILE 148 1.737 26.179 -0.167 1130 HA ILE 148 HA ILE 148 -0.175 25.805 0.836 1131 HB ILE 148 HB ILE 148 -0.684 28.726 0.312 1132 1HG1 ILE 148 2HG1 ILE 148 0.046 27.260 2.887 1133 2HG1 ILE 148 3HG1 ILE 148 1.268 27.930 1.804 1134 1HG2 ILE 148 1HG2 ILE 148 -2.225 26.785 2.095 1135 2HG2 ILE 148 2HG2 ILE 148 -2.463 28.541 2.062 1136 3HG2 ILE 148 3HG2 ILE 148 -2.867 27.586 0.645 1137 1HD1 ILE 148 1HD1 ILE 148 -0.867 29.556 3.227 1138 2HD1 ILE 148 2HD1 ILE 148 0.865 29.491 3.582 1139 3HD1 ILE 148 3HD1 ILE 148 0.307 30.185 2.047 1140 H GLU 149 H GLU 149 -1.180 27.855 -1.871 1141 HA GLU 149 HA GLU 149 -2.920 27.880 -3.154 1142 1HB GLU 149 2HB GLU 149 -2.906 26.441 -4.960 1143 2HB GLU 149 3HB GLU 149 -1.249 26.667 -4.423 1144 1HG GLU 149 2HG GLU 149 -0.938 24.458 -4.270 1145 2HG GLU 149 3HG GLU 149 -2.294 24.269 -3.162 1146 H GLY 150 H GLY 150 -3.484 25.408 -0.809 1147 1HA GLY 150 2HA GLY 150 -6.315 26.090 -0.892 1148 2HA GLY 150 3HA GLY 150 -5.884 24.363 -1.018 1149 H ARG 151 H ARG 151 -7.227 25.312 1.232 1150 HA ARG 151 HA ARG 151 -5.237 25.421 3.451 1151 1HB ARG 151 2HB ARG 151 -8.289 25.467 3.495 1152 2HB ARG 151 3HB ARG 151 -7.172 25.421 4.881 1153 1HG ARG 151 2HG ARG 151 -6.161 27.580 3.726 1154 2HG ARG 151 3HG ARG 151 -7.777 27.736 3.031 1155 1HD ARG 151 2HD ARG 151 -7.323 27.312 6.045 1156 2HD ARG 151 3HD ARG 151 -7.156 28.884 5.297 1157 HE ARG 151 HE ARG 151 -9.357 29.171 5.152 1158 1HH1 ARG 151 2HH2 ARG 151 -8.898 25.704 5.618 1159 2HH1 ARG 151 1HH2 ARG 151 -10.553 25.371 6.005 1160 1HH2 ARG 151 2HH1 ARG 151 -11.529 28.791 5.769 1161 2HH2 ARG 151 1HH1 ARG 151 -12.078 27.183 6.104 Start of MODEL 5 1 1H MET 1 H1 MET 1 -0.551 -11.140 8.330 2 2H MET 1 H2 MET 1 -0.058 -10.139 7.237 3 3H MET 1 H3 MET 1 0.387 -11.714 7.088 4 HA MET 1 HA MET 1 2.242 -10.454 7.653 5 1HB MET 1 2HB MET 1 2.573 -9.032 9.367 6 2HB MET 1 3HB MET 1 0.966 -8.595 8.798 7 1HG MET 1 2HG MET 1 -0.021 -9.656 10.793 8 2HG MET 1 3HG MET 1 1.575 -10.265 11.288 9 1HE MET 1 1HE MET 1 0.983 -7.646 14.070 10 2HE MET 1 2HE MET 1 -0.247 -8.694 13.326 11 3HE MET 1 3HE MET 1 1.372 -9.342 13.706 12 H LEU 2 H LEU 2 0.366 -12.245 10.200 13 HA LEU 2 HA LEU 2 2.763 -13.802 10.869 14 1HB LEU 2 2HB LEU 2 -0.068 -13.669 11.796 15 2HB LEU 2 3HB LEU 2 0.559 -15.303 11.664 16 HG LEU 2 HG LEU 2 0.810 -14.393 13.903 17 1HD1 LEU 2 1HD1 LEU 2 3.069 -15.122 14.322 18 2HD1 LEU 2 2HD1 LEU 2 2.358 -16.147 13.065 19 3HD1 LEU 2 3HD1 LEU 2 3.537 -14.891 12.633 20 1HD2 LEU 2 1HD2 LEU 2 2.416 -12.654 14.447 21 2HD2 LEU 2 2HD2 LEU 2 2.821 -12.419 12.738 22 3HD2 LEU 2 3HD2 LEU 2 1.193 -12.018 13.330 23 H SER 3 H SER 3 3.290 -15.756 10.004 24 HA SER 3 HA SER 3 3.558 -17.302 8.401 25 1HB SER 3 2HB SER 3 0.683 -16.956 7.473 26 2HB SER 3 3HB SER 3 1.750 -18.353 7.279 27 HG SER 3 HG SER 3 0.733 -17.328 9.730 28 H GLU 4 H GLU 4 3.631 -17.519 5.970 29 HA GLU 4 HA GLU 4 4.610 -15.107 4.865 30 1HB GLU 4 2HB GLU 4 4.074 -17.882 3.717 31 2HB GLU 4 3HB GLU 4 4.978 -16.623 2.883 32 1HG GLU 4 2HG GLU 4 6.536 -18.150 3.897 33 2HG GLU 4 3HG GLU 4 6.667 -16.574 4.682 34 H GLN 5 H GLN 5 1.730 -14.702 5.415 35 HA GLN 5 HA GLN 5 0.804 -14.114 2.674 36 1HB GLN 5 2HB GLN 5 -1.215 -14.703 4.802 37 2HB GLN 5 3HB GLN 5 -1.338 -14.747 3.052 38 1HG GLN 5 2HG GLN 5 -0.299 -16.821 4.970 39 2HG GLN 5 3HG GLN 5 -1.572 -16.988 3.765 40 1HE2 GLN 5 1HE2 GLN 5 -0.373 -16.363 1.310 41 2HE2 GLN 5 2HE2 GLN 5 1.156 -17.231 1.125 42 H LYS 6 H LYS 6 -0.076 -12.064 2.490 43 HA LYS 6 HA LYS 6 -0.062 -10.365 4.954 44 1HB LYS 6 2HB LYS 6 0.572 -8.509 3.800 45 2HB LYS 6 3HB LYS 6 1.730 -9.792 3.435 46 1HG LYS 6 2HG LYS 6 0.750 -10.062 1.164 47 2HG LYS 6 3HG LYS 6 -0.646 -9.092 1.590 48 1HD LYS 6 2HD LYS 6 0.452 -7.528 0.479 49 2HD LYS 6 3HD LYS 6 0.963 -7.126 2.091 50 1HE LYS 6 2HE LYS 6 2.465 -8.822 0.041 51 2HE LYS 6 3HE LYS 6 2.788 -7.125 0.407 52 1HZ LYS 6 1HZ LYS 6 3.278 -7.871 2.713 53 2HZ LYS 6 2HZ LYS 6 3.113 -9.426 2.217 54 3HZ LYS 6 3HZ LYS 6 4.327 -8.518 1.608 55 H GLU 7 H GLU 7 -1.584 -8.659 4.916 56 HA GLU 7 HA GLU 7 -4.140 -9.099 3.507 57 1HB GLU 7 2HB GLU 7 -3.579 -7.753 6.205 58 2HB GLU 7 3HB GLU 7 -5.094 -8.374 5.560 59 1HG GLU 7 2HG GLU 7 -4.518 -10.010 7.082 60 2HG GLU 7 3HG GLU 7 -3.827 -10.699 5.614 61 H ILE 8 H ILE 8 -3.864 -7.567 1.751 62 HA ILE 8 HA ILE 8 -2.958 -4.814 2.534 63 HB ILE 8 HB ILE 8 -2.162 -6.259 0.431 64 1HG1 ILE 8 2HG1 ILE 8 -1.755 -3.913 -0.701 65 2HG1 ILE 8 3HG1 ILE 8 -2.361 -3.287 0.839 66 1HG2 ILE 8 1HG2 ILE 8 -4.380 -6.339 -0.604 67 2HG2 ILE 8 2HG2 ILE 8 -4.372 -4.561 -0.764 68 3HG2 ILE 8 3HG2 ILE 8 -3.177 -5.540 -1.631 69 1HD1 ILE 8 1HD1 ILE 8 0.078 -3.523 0.895 70 2HD1 ILE 8 2HD1 ILE 8 -0.613 -4.750 1.982 71 3HD1 ILE 8 3HD1 ILE 8 -0.036 -5.209 0.360 72 H ALA 9 H ALA 9 -4.618 -3.516 3.286 73 HA ALA 9 HA ALA 9 -7.350 -3.858 2.147 74 1HB ALA 9 1HB ALA 9 -8.066 -2.591 4.123 75 2HB ALA 9 2HB ALA 9 -7.227 -4.085 4.591 76 3HB ALA 9 3HB ALA 9 -6.392 -2.520 4.707 77 H MET 10 H MET 10 -7.850 -2.302 0.624 78 HA MET 10 HA MET 10 -6.684 0.407 0.854 79 1HB MET 10 2HB MET 10 -6.443 -1.365 -1.618 80 2HB MET 10 3HB MET 10 -6.168 0.383 -1.607 81 1HG MET 10 2HG MET 10 -4.248 0.147 -0.119 82 2HG MET 10 3HG MET 10 -4.572 -1.569 0.101 83 1HE MET 10 1HE MET 10 -4.668 0.303 -3.402 84 2HE MET 10 2HE MET 10 -3.358 1.108 -2.490 85 3HE MET 10 3HE MET 10 -2.975 0.067 -3.885 86 H GLN 11 H GLN 11 -7.832 1.840 -0.820 87 HA GLN 11 HA GLN 11 -10.715 1.085 -0.908 88 1HB GLN 11 2HB GLN 11 -9.786 3.031 0.643 89 2HB GLN 11 3HB GLN 11 -9.786 3.949 -0.875 90 1HG GLN 11 2HG GLN 11 -12.210 3.148 -1.170 91 2HG GLN 11 3HG GLN 11 -12.075 2.494 0.482 92 1HE2 GLN 11 1HE2 GLN 11 -12.677 3.860 2.128 93 2HE2 GLN 11 2HE2 GLN 11 -12.840 5.599 1.956 94 H VAL 12 H VAL 12 -11.638 1.021 -2.905 95 HA VAL 12 HA VAL 12 -10.149 2.059 -5.235 96 HB VAL 12 HB VAL 12 -9.831 -0.366 -4.935 97 1HG1 VAL 12 1HG1 VAL 12 -12.848 -0.630 -5.260 98 2HG1 VAL 12 2HG1 VAL 12 -11.678 -1.946 -5.120 99 3HG1 VAL 12 3HG1 VAL 12 -11.987 -0.897 -3.727 100 1HG2 VAL 12 1HG2 VAL 12 -9.945 0.560 -7.201 101 2HG2 VAL 12 2HG2 VAL 12 -10.614 -1.088 -7.136 102 3HG2 VAL 12 3HG2 VAL 12 -11.706 0.303 -7.226 103 H SER 13 H SER 13 -11.381 3.020 -6.814 104 HA SER 13 HA SER 13 -14.206 3.628 -6.075 105 1HB SER 13 2HB SER 13 -12.428 4.919 -8.155 106 2HB SER 13 3HB SER 13 -13.959 5.525 -7.497 107 HG SER 13 HG SER 13 -12.811 5.493 -5.395 108 H GLY 14 H GLY 14 -15.591 4.088 -8.086 109 1HA GLY 14 2HA GLY 14 -16.482 3.504 -10.131 110 2HA GLY 14 3HA GLY 14 -15.107 2.453 -10.473 111 H MET 15 H MET 15 -15.880 1.483 -7.443 112 HA MET 15 HA MET 15 -17.147 -0.864 -8.192 113 1HB MET 15 2HB MET 15 -15.638 0.033 -6.075 114 2HB MET 15 3HB MET 15 -17.234 0.050 -5.321 115 1HG MET 15 2HG MET 15 -17.429 -2.286 -6.519 116 2HG MET 15 3HG MET 15 -15.661 -2.188 -6.532 117 1HE MET 15 1HE MET 15 -15.216 -0.602 -3.745 118 2HE MET 15 2HE MET 15 -15.033 -1.947 -2.590 119 3HE MET 15 3HE MET 15 -14.251 -2.038 -4.179 120 H THR 16 H THR 16 -18.964 0.078 -9.386 121 HA THR 16 HA THR 16 -20.868 1.745 -7.957 122 HB THR 16 HB THR 16 -21.125 0.553 -10.744 123 HG1 THR 16 1HG THR 16 -19.136 1.702 -10.433 124 1HG2 THR 16 1HG2 THR 16 -22.274 3.067 -9.435 125 2HG2 THR 16 2HG2 THR 16 -22.369 2.691 -11.166 126 3HG2 THR 16 3HG2 THR 16 -23.202 1.658 -9.995 127 H CYS 17 H CYS 17 -20.494 -1.638 -8.155 128 HA CYS 17 HA CYS 17 -22.984 -2.219 -6.853 129 1HB CYS 17 2HB CYS 17 -23.864 -1.921 -9.173 130 2HB CYS 17 3HB CYS 17 -22.659 -3.088 -9.769 131 HG CYS 17 HG CYS 17 -25.063 -4.143 -9.695 132 H ALA 18 H ALA 18 -22.988 -4.488 -6.220 133 HA ALA 18 HA ALA 18 -20.634 -5.737 -5.555 134 1HB ALA 18 1HB ALA 18 -22.864 -6.403 -4.732 135 2HB ALA 18 2HB ALA 18 -23.265 -7.071 -6.331 136 3HB ALA 18 3HB ALA 18 -21.968 -7.799 -5.361 137 H ALA 19 H ALA 19 -22.339 -5.996 -8.700 138 HA ALA 19 HA ALA 19 -20.832 -8.084 -9.837 139 1HB ALA 19 1HB ALA 19 -22.851 -7.134 -10.862 140 2HB ALA 19 2HB ALA 19 -21.988 -5.615 -11.196 141 3HB ALA 19 3HB ALA 19 -21.492 -7.119 -12.002 142 H CYS 20 H CYS 20 -19.942 -4.637 -9.472 143 HA CYS 20 HA CYS 20 -17.737 -4.674 -11.366 144 1HB CYS 20 2HB CYS 20 -18.395 -2.847 -8.992 145 2HB CYS 20 3HB CYS 20 -17.039 -2.609 -10.090 146 HG CYS 20 HG CYS 20 -20.222 -2.844 -10.899 147 H ALA 21 H ALA 21 -18.049 -4.670 -7.858 148 HA ALA 21 HA ALA 21 -15.456 -5.273 -7.057 149 1HB ALA 21 1HB ALA 21 -17.740 -4.791 -5.750 150 2HB ALA 21 2HB ALA 21 -17.782 -6.555 -5.604 151 3HB ALA 21 3HB ALA 21 -16.405 -5.626 -4.977 152 H ALA 22 H ALA 22 -18.059 -7.624 -7.737 153 HA ALA 22 HA ALA 22 -16.657 -10.037 -7.374 154 1HB ALA 22 1HB ALA 22 -18.445 -11.052 -8.660 155 2HB ALA 22 2HB ALA 22 -19.096 -9.854 -7.525 156 3HB ALA 22 3HB ALA 22 -18.962 -9.460 -9.254 157 H ARG 23 H ARG 23 -16.847 -7.931 -10.289 158 HA ARG 23 HA ARG 23 -15.449 -9.814 -11.959 159 1HB ARG 23 2HB ARG 23 -16.110 -6.868 -12.085 160 2HB ARG 23 3HB ARG 23 -14.816 -7.460 -13.118 161 1HG ARG 23 2HG ARG 23 -17.626 -8.641 -13.027 162 2HG ARG 23 3HG ARG 23 -17.029 -7.457 -14.200 163 1HD ARG 23 2HD ARG 23 -15.049 -9.420 -14.278 164 2HD ARG 23 3HD ARG 23 -16.503 -10.389 -14.024 165 HE ARG 23 HE ARG 23 -17.173 -8.564 -16.036 166 1HH1 ARG 23 2HH2 ARG 23 -14.758 -11.088 -15.648 167 2HH1 ARG 23 1HH2 ARG 23 -14.547 -11.387 -17.348 168 1HH2 ARG 23 2HH1 ARG 23 -16.884 -8.869 -18.305 169 2HH2 ARG 23 1HH1 ARG 23 -15.804 -10.087 -18.896 170 H ILE 24 H ILE 24 -14.330 -7.100 -9.848 171 HA ILE 24 HA ILE 24 -11.588 -7.395 -10.592 172 HB ILE 24 HB ILE 24 -12.892 -6.280 -8.088 173 1HG1 ILE 24 2HG1 ILE 24 -11.554 -4.799 -10.402 174 2HG1 ILE 24 3HG1 ILE 24 -13.279 -5.174 -10.436 175 1HG2 ILE 24 1HG2 ILE 24 -10.711 -5.214 -7.671 176 2HG2 ILE 24 2HG2 ILE 24 -10.647 -6.967 -7.562 177 3HG2 ILE 24 3HG2 ILE 24 -10.021 -6.156 -9.020 178 1HD1 ILE 24 1HD1 ILE 24 -12.913 -2.921 -9.629 179 2HD1 ILE 24 2HD1 ILE 24 -13.672 -3.921 -8.383 180 3HD1 ILE 24 3HD1 ILE 24 -11.936 -3.500 -8.285 181 H GLU 25 H GLU 25 -13.511 -8.741 -7.894 182 HA GLU 25 HA GLU 25 -11.629 -10.312 -6.584 183 1HB GLU 25 2HB GLU 25 -14.583 -10.597 -7.250 184 2HB GLU 25 3HB GLU 25 -13.785 -11.844 -6.325 185 1HG GLU 25 2HG GLU 25 -13.705 -8.882 -5.563 186 2HG GLU 25 3HG GLU 25 -14.917 -10.022 -4.940 187 H LYS 26 H LYS 26 -13.788 -11.339 -9.266 188 HA LYS 26 HA LYS 26 -12.689 -13.910 -9.449 189 1HB LYS 26 2HB LYS 26 -14.906 -12.981 -10.401 190 2HB LYS 26 3HB LYS 26 -13.919 -12.509 -11.807 191 1HG LYS 26 2HG LYS 26 -12.983 -14.959 -11.595 192 2HG LYS 26 3HG LYS 26 -14.403 -15.294 -10.621 193 1HD LYS 26 2HD LYS 26 -14.458 -14.229 -13.490 194 2HD LYS 26 3HD LYS 26 -14.468 -15.946 -13.060 195 1HE LYS 26 2HE LYS 26 -16.566 -15.558 -11.700 196 2HE LYS 26 3HE LYS 26 -16.620 -13.905 -12.335 197 1HZ LYS 26 1HZ LYS 26 -16.728 -16.393 -13.930 198 2HZ LYS 26 2HZ LYS 26 -18.001 -15.416 -13.592 199 3HZ LYS 26 3HZ LYS 26 -16.785 -14.872 -14.555 200 H GLY 27 H GLY 27 -11.665 -10.837 -10.838 201 1HA GLY 27 2HA GLY 27 -9.834 -11.955 -12.811 202 2HA GLY 27 3HA GLY 27 -9.917 -10.286 -12.238 203 H LEU 28 H LEU 28 -9.583 -10.651 -9.475 204 HA LEU 28 HA LEU 28 -6.731 -10.886 -9.279 205 1HB LEU 28 2HB LEU 28 -8.967 -10.464 -7.359 206 2HB LEU 28 3HB LEU 28 -7.453 -11.103 -6.727 207 HG LEU 28 HG LEU 28 -7.659 -8.417 -8.235 208 1HD1 LEU 28 1HD1 LEU 28 -8.696 -8.534 -6.030 209 2HD1 LEU 28 2HD1 LEU 28 -7.177 -9.198 -5.382 210 3HD1 LEU 28 3HD1 LEU 28 -7.221 -7.542 -6.051 211 1HD2 LEU 28 1HD2 LEU 28 -5.279 -9.775 -6.919 212 2HD2 LEU 28 2HD2 LEU 28 -5.411 -9.418 -8.652 213 3HD2 LEU 28 3HD2 LEU 28 -5.422 -8.096 -7.518 214 H LYS 29 H LYS 29 -9.377 -13.077 -8.378 215 HA LYS 29 HA LYS 29 -7.731 -15.170 -7.434 216 1HB LYS 29 2HB LYS 29 -10.560 -14.753 -8.001 217 2HB LYS 29 3HB LYS 29 -10.082 -16.340 -8.571 218 1HG LYS 29 2HG LYS 29 -9.691 -17.162 -6.503 219 2HG LYS 29 3HG LYS 29 -9.045 -15.674 -5.840 220 1HD LYS 29 2HD LYS 29 -12.015 -15.948 -6.390 221 2HD LYS 29 3HD LYS 29 -11.255 -16.548 -4.901 222 1HE LYS 29 2HE LYS 29 -10.276 -14.282 -4.493 223 2HE LYS 29 3HE LYS 29 -11.183 -13.657 -5.881 224 1HZ LYS 29 1HZ LYS 29 -13.211 -14.219 -4.681 225 2HZ LYS 29 2HZ LYS 29 -12.341 -14.727 -3.365 226 3HZ LYS 29 3HZ LYS 29 -12.310 -13.167 -3.865 227 H ARG 30 H ARG 30 -7.878 -14.082 -10.675 228 HA ARG 30 HA ARG 30 -7.153 -16.485 -12.029 229 1HB ARG 30 2HB ARG 30 -7.659 -14.063 -12.895 230 2HB ARG 30 3HB ARG 30 -5.964 -13.751 -12.552 231 1HG ARG 30 2HG ARG 30 -5.745 -14.380 -14.734 232 2HG ARG 30 3HG ARG 30 -5.704 -16.016 -14.065 233 1HD ARG 30 2HD ARG 30 -8.190 -16.200 -14.489 234 2HD ARG 30 3HD ARG 30 -8.204 -14.533 -15.036 235 HE ARG 30 HE ARG 30 -7.324 -15.047 -17.056 236 1HH1 ARG 30 2HH2 ARG 30 -7.017 -17.886 -14.997 237 2HH1 ARG 30 1HH2 ARG 30 -6.816 -19.018 -16.299 238 1HH2 ARG 30 2HH1 ARG 30 -7.005 -16.496 -18.819 239 2HH2 ARG 30 1HH1 ARG 30 -6.765 -18.186 -18.530 240 H MET 31 H MET 31 -5.377 -14.334 -9.816 241 HA MET 31 HA MET 31 -2.729 -15.293 -10.597 242 1HB MET 31 2HB MET 31 -3.782 -13.415 -8.462 243 2HB MET 31 3HB MET 31 -2.073 -13.809 -8.606 244 1HG MET 31 2HG MET 31 -3.545 -12.812 -11.050 245 2HG MET 31 3HG MET 31 -3.067 -11.686 -9.788 246 1HE MET 31 1HE MET 31 -1.627 -10.273 -11.439 247 2HE MET 31 2HE MET 31 -0.351 -10.948 -12.480 248 3HE MET 31 3HE MET 31 -2.052 -11.365 -12.787 249 HA PRO 32 HA PRO 32 -2.712 -18.642 -7.735 250 1HB PRO 32 2HB PRO 32 -0.049 -19.119 -7.360 251 2HB PRO 32 3HB PRO 32 -0.892 -19.410 -8.906 252 1HG PRO 32 2HG PRO 32 0.729 -16.981 -8.123 253 2HG PRO 32 3HG PRO 32 0.853 -17.936 -9.623 254 1HD PRO 32 2HD PRO 32 -0.596 -15.631 -9.515 255 2HD PRO 32 3HD PRO 32 -1.172 -17.034 -10.464 256 H GLY 33 H GLY 33 -0.572 -15.850 -6.662 257 1HA GLY 33 2HA GLY 33 -0.279 -16.872 -4.026 258 2HA GLY 33 3HA GLY 33 0.060 -15.227 -4.579 259 H VAL 34 H VAL 34 -2.848 -15.138 -5.610 260 HA VAL 34 HA VAL 34 -4.080 -13.795 -3.412 261 HB VAL 34 HB VAL 34 -5.155 -14.887 -6.024 262 1HG1 VAL 34 1HG1 VAL 34 -7.035 -14.927 -4.471 263 2HG1 VAL 34 2HG1 VAL 34 -6.601 -13.318 -3.849 264 3HG1 VAL 34 3HG1 VAL 34 -7.186 -13.514 -5.518 265 1HG2 VAL 34 1HG2 VAL 34 -3.625 -12.911 -6.122 266 2HG2 VAL 34 2HG2 VAL 34 -5.287 -12.455 -6.534 267 3HG2 VAL 34 3HG2 VAL 34 -4.646 -12.072 -4.934 268 H THR 35 H THR 35 -4.341 -14.757 -1.561 269 HA THR 35 HA THR 35 -4.931 -17.632 -1.399 270 HB THR 35 HB THR 35 -4.469 -15.522 0.744 271 HG1 THR 35 1HG THR 35 -2.733 -16.249 -0.979 272 1HG2 THR 35 1HG2 THR 35 -5.567 -17.584 1.589 273 2HG2 THR 35 2HG2 THR 35 -4.277 -18.561 0.853 274 3HG2 THR 35 3HG2 THR 35 -3.900 -17.438 2.176 275 H ASP 36 H ASP 36 -6.336 -14.428 -0.454 276 HA ASP 36 HA ASP 36 -9.010 -15.452 -1.024 277 1HB ASP 36 2HB ASP 36 -8.474 -16.124 1.387 278 2HB ASP 36 3HB ASP 36 -8.441 -14.402 1.781 279 H ALA 37 H ALA 37 -9.751 -13.818 -2.291 280 HA ALA 37 HA ALA 37 -8.886 -11.002 -1.792 281 1HB ALA 37 1HB ALA 37 -10.363 -12.036 -4.247 282 2HB ALA 37 2HB ALA 37 -9.706 -10.436 -3.983 283 3HB ALA 37 3HB ALA 37 -8.612 -11.814 -4.157 284 H ASN 38 H ASN 38 -10.377 -9.587 -0.885 285 HA ASN 38 HA ASN 38 -13.246 -10.320 -0.935 286 1HB ASN 38 2HB ASN 38 -11.806 -9.172 1.506 287 2HB ASN 38 3HB ASN 38 -13.502 -9.643 1.399 288 1HD2 ASN 38 1HD2 ASN 38 -12.712 -12.217 -0.067 289 2HD2 ASN 38 2HD2 ASN 38 -11.987 -13.241 1.103 290 H VAL 39 H VAL 39 -14.621 -8.440 -0.722 291 HA VAL 39 HA VAL 39 -13.427 -5.794 -0.645 292 HB VAL 39 HB VAL 39 -12.941 -6.308 -2.933 293 1HG1 VAL 39 1HG1 VAL 39 -15.867 -7.039 -3.341 294 2HG1 VAL 39 2HG1 VAL 39 -14.593 -6.946 -4.580 295 3HG1 VAL 39 3HG1 VAL 39 -14.511 -8.168 -3.310 296 1HG2 VAL 39 1HG2 VAL 39 -14.153 -4.539 -4.067 297 2HG2 VAL 39 2HG2 VAL 39 -15.403 -4.548 -2.801 298 3HG2 VAL 39 3HG2 VAL 39 -13.746 -4.040 -2.414 299 H ASN 40 H ASN 40 -14.618 -4.683 0.584 300 HA ASN 40 HA ASN 40 -17.510 -5.334 0.970 301 1HB ASN 40 2HB ASN 40 -15.382 -4.042 2.631 302 2HB ASN 40 3HB ASN 40 -16.982 -3.303 2.708 303 1HD2 ASN 40 1HD2 ASN 40 -18.827 -4.498 3.444 304 2HD2 ASN 40 2HD2 ASN 40 -18.578 -5.942 4.406 305 H LEU 41 H LEU 41 -18.469 -4.491 -0.822 306 HA LEU 41 HA LEU 41 -17.913 -1.945 -1.980 307 1HB LEU 41 2HB LEU 41 -20.060 -2.116 -3.078 308 2HB LEU 41 3HB LEU 41 -19.175 -3.621 -3.225 309 HG LEU 41 HG LEU 41 -21.075 -3.536 -0.954 310 1HD1 LEU 41 1HD1 LEU 41 -22.033 -3.608 -3.840 311 2HD1 LEU 41 2HD1 LEU 41 -23.027 -3.960 -2.410 312 3HD1 LEU 41 3HD1 LEU 41 -22.377 -2.330 -2.652 313 1HD2 LEU 41 1HD2 LEU 41 -19.846 -5.628 -1.541 314 2HD2 LEU 41 2HD2 LEU 41 -21.592 -5.812 -1.731 315 3HD2 LEU 41 3HD2 LEU 41 -20.568 -5.578 -3.157 316 H ALA 42 H ALA 42 -19.679 -2.842 0.847 317 HA ALA 42 HA ALA 42 -21.365 -0.575 1.096 318 1HB ALA 42 1HB ALA 42 -20.155 -2.344 3.274 319 2HB ALA 42 2HB ALA 42 -21.521 -1.232 3.481 320 3HB ALA 42 3HB ALA 42 -21.683 -2.638 2.413 321 H THR 43 H THR 43 -17.989 -1.176 2.116 322 HA THR 43 HA THR 43 -17.707 1.686 2.914 323 HB THR 43 HB THR 43 -15.814 0.847 4.229 324 HG1 THR 43 1HG THR 43 -15.107 -1.112 3.963 325 1HG2 THR 43 1HG2 THR 43 -18.247 -0.928 4.775 326 2HG2 THR 43 2HG2 THR 43 -17.079 -0.289 5.939 327 3HG2 THR 43 3HG2 THR 43 -18.218 0.809 5.117 328 H GLU 44 H GLU 44 -17.550 0.173 0.135 329 HA GLU 44 HA GLU 44 -16.159 -0.139 -1.596 330 1HB GLU 44 2HB GLU 44 -15.442 2.727 -0.874 331 2HB GLU 44 3HB GLU 44 -15.139 1.960 -2.439 332 1HG GLU 44 2HG GLU 44 -17.572 1.562 -2.732 333 2HG GLU 44 3HG GLU 44 -17.892 2.371 -1.189 334 H THR 45 H THR 45 -14.937 -1.491 0.499 335 HA THR 45 HA THR 45 -12.084 -0.556 0.591 336 HB THR 45 HB THR 45 -13.750 -2.168 2.561 337 HG1 THR 45 1HG THR 45 -13.936 0.283 2.314 338 1HG2 THR 45 1HG2 THR 45 -11.730 -1.842 4.042 339 2HG2 THR 45 2HG2 THR 45 -11.460 -2.926 2.664 340 3HG2 THR 45 3HG2 THR 45 -10.850 -1.254 2.620 341 H VAL 46 H VAL 46 -10.813 -1.863 -0.678 342 HA VAL 46 HA VAL 46 -11.704 -4.643 -1.257 343 HB VAL 46 HB VAL 46 -11.276 -3.453 -3.254 344 1HG1 VAL 46 1HG1 VAL 46 -9.927 -1.546 -2.543 345 2HG1 VAL 46 2HG1 VAL 46 -8.561 -2.613 -2.148 346 3HG1 VAL 46 3HG1 VAL 46 -9.093 -2.427 -3.822 347 1HG2 VAL 46 1HG2 VAL 46 -9.541 -4.796 -4.255 348 2HG2 VAL 46 2HG2 VAL 46 -8.801 -5.100 -2.673 349 3HG2 VAL 46 3HG2 VAL 46 -10.398 -5.784 -3.054 350 H ASN 47 H ASN 47 -10.686 -6.275 -0.167 351 HA ASN 47 HA ASN 47 -8.157 -5.655 1.245 352 1HB ASN 47 2HB ASN 47 -9.878 -5.516 2.922 353 2HB ASN 47 3HB ASN 47 -10.563 -7.070 2.385 354 1HD2 ASN 47 1HD2 ASN 47 -10.258 -7.874 4.596 355 2HD2 ASN 47 2HD2 ASN 47 -8.649 -8.350 5.108 356 H VAL 48 H VAL 48 -6.654 -7.063 0.619 357 HA VAL 48 HA VAL 48 -7.569 -9.630 -0.640 358 HB VAL 48 HB VAL 48 -5.240 -8.076 -1.757 359 1HG1 VAL 48 1HG1 VAL 48 -5.529 -9.542 -3.638 360 2HG1 VAL 48 2HG1 VAL 48 -5.570 -10.580 -2.205 361 3HG1 VAL 48 3HG1 VAL 48 -7.076 -10.145 -3.021 362 1HG2 VAL 48 1HG2 VAL 48 -8.164 -7.914 -2.609 363 2HG2 VAL 48 2HG2 VAL 48 -7.129 -6.576 -2.052 364 3HG2 VAL 48 3HG2 VAL 48 -6.791 -7.365 -3.593 365 H ILE 49 H ILE 49 -6.742 -11.325 0.292 366 HA ILE 49 HA ILE 49 -4.369 -11.033 1.981 367 HB ILE 49 HB ILE 49 -6.434 -13.244 1.995 368 1HG1 ILE 49 2HG1 ILE 49 -6.723 -12.245 4.400 369 2HG1 ILE 49 3HG1 ILE 49 -5.997 -10.779 3.743 370 1HG2 ILE 49 1HG2 ILE 49 -5.248 -13.986 4.016 371 2HG2 ILE 49 2HG2 ILE 49 -4.153 -13.999 2.635 372 3HG2 ILE 49 3HG2 ILE 49 -4.060 -12.683 3.819 373 1HD1 ILE 49 1HD1 ILE 49 -8.494 -10.776 3.822 374 2HD1 ILE 49 2HD1 ILE 49 -7.920 -10.557 2.173 375 3HD1 ILE 49 3HD1 ILE 49 -8.528 -12.142 2.697 376 H TYR 50 H TYR 50 -2.466 -11.806 1.074 377 HA TYR 50 HA TYR 50 -2.564 -14.047 -0.773 378 1HB TYR 50 2HB TYR 50 -1.656 -12.845 -2.738 379 2HB TYR 50 3HB TYR 50 -3.242 -12.231 -2.279 380 HD1 TYR 50 HD1 TYR 50 0.352 -11.386 -2.472 381 HD2 TYR 50 HD2 TYR 50 -3.571 -10.108 -1.258 382 HE1 TYR 50 HE1 TYR 50 1.151 -9.036 -2.335 383 HE2 TYR 50 HE2 TYR 50 -2.802 -7.798 -1.148 384 HH TYR 50 HH TYR 50 -1.050 -6.327 -1.554 385 H ASP 51 H ASP 51 -0.514 -14.594 -1.742 386 HA ASP 51 HA ASP 51 1.476 -14.623 0.358 387 1HB ASP 51 2HB ASP 51 0.677 -16.566 -1.105 388 2HB ASP 51 3HB ASP 51 1.641 -15.866 -2.418 389 HA PRO 52 HA PRO 52 3.634 -11.225 -1.757 390 1HB PRO 52 2HB PRO 52 5.544 -10.645 0.054 391 2HB PRO 52 3HB PRO 52 3.808 -10.568 0.478 392 1HG PRO 52 2HG PRO 52 5.687 -12.873 1.037 393 2HG PRO 52 3HG PRO 52 4.643 -12.021 2.209 394 1HD PRO 52 2HD PRO 52 3.936 -14.307 0.822 395 2HD PRO 52 3HD PRO 52 2.729 -13.097 1.408 396 H ALA 53 H ALA 53 4.294 -14.162 -2.418 397 HA ALA 53 HA ALA 53 7.081 -13.672 -3.417 398 1HB ALA 53 1HB ALA 53 6.201 -16.203 -1.989 399 2HB ALA 53 2HB ALA 53 7.802 -15.845 -2.656 400 3HB ALA 53 3HB ALA 53 7.200 -14.919 -1.268 401 H GLU 54 H GLU 54 4.017 -14.286 -4.328 402 HA GLU 54 HA GLU 54 4.906 -15.753 -6.772 403 1HB GLU 54 2HB GLU 54 2.199 -15.794 -5.365 404 2HB GLU 54 3HB GLU 54 2.594 -16.531 -6.924 405 1HG GLU 54 2HG GLU 54 4.422 -17.852 -5.669 406 2HG GLU 54 3HG GLU 54 3.590 -17.356 -4.182 407 H THR 55 H THR 55 2.988 -13.004 -5.397 408 HA THR 55 HA THR 55 1.983 -12.338 -8.094 409 HB THR 55 HB THR 55 0.892 -12.533 -5.269 410 HG1 THR 55 1HG THR 55 0.593 -13.938 -7.677 411 1HG2 THR 55 1HG2 THR 55 -0.114 -10.529 -6.529 412 2HG2 THR 55 2HG2 THR 55 -0.733 -11.761 -7.654 413 3HG2 THR 55 3HG2 THR 55 -1.129 -11.850 -5.900 414 H GLY 56 H GLY 56 1.594 -10.512 -5.044 415 1HA GLY 56 2HA GLY 56 3.268 -9.021 -4.202 416 2HA GLY 56 3HA GLY 56 3.819 -8.671 -5.843 417 H THR 57 H THR 57 2.438 -7.210 -3.528 418 HA THR 57 HA THR 57 0.011 -6.169 -3.916 419 HB THR 57 HB THR 57 1.564 -5.516 -2.133 420 HG1 THR 57 1HG THR 57 0.411 -3.244 -3.330 421 1HG2 THR 57 1HG2 THR 57 2.632 -3.428 -4.057 422 2HG2 THR 57 2HG2 THR 57 3.067 -3.710 -2.364 423 3HG2 THR 57 3HG2 THR 57 3.469 -4.930 -3.595 424 H ALA 58 H ALA 58 2.746 -5.148 -5.907 425 HA ALA 58 HA ALA 58 1.381 -3.082 -7.322 426 1HB ALA 58 1HB ALA 58 3.746 -4.800 -8.195 427 2HB ALA 58 2HB ALA 58 3.230 -3.270 -8.939 428 3HB ALA 58 3HB ALA 58 3.833 -3.281 -7.270 429 H ALA 59 H ALA 59 1.622 -6.624 -7.884 430 HA ALA 59 HA ALA 59 0.395 -6.518 -10.503 431 1HB ALA 59 1HB ALA 59 1.854 -8.355 -9.800 432 2HB ALA 59 2HB ALA 59 0.651 -8.836 -8.574 433 3HB ALA 59 3HB ALA 59 0.234 -8.896 -10.302 434 H ILE 60 H ILE 60 -0.689 -6.835 -7.127 435 HA ILE 60 HA ILE 60 -3.348 -7.671 -7.697 436 HB ILE 60 HB ILE 60 -2.794 -5.802 -5.433 437 1HG1 ILE 60 2HG1 ILE 60 -0.967 -7.582 -5.328 438 2HG1 ILE 60 3HG1 ILE 60 -2.025 -7.447 -3.945 439 1HG2 ILE 60 1HG2 ILE 60 -5.075 -6.417 -5.676 440 2HG2 ILE 60 2HG2 ILE 60 -4.643 -8.130 -5.442 441 3HG2 ILE 60 3HG2 ILE 60 -4.362 -6.972 -4.145 442 1HD1 ILE 60 1HD1 ILE 60 -1.446 -9.770 -4.651 443 2HD1 ILE 60 2HD1 ILE 60 -3.173 -9.476 -4.498 444 3HD1 ILE 60 3HD1 ILE 60 -2.425 -9.526 -6.120 445 H GLN 61 H GLN 61 -1.904 -4.397 -7.128 446 HA GLN 61 HA GLN 61 -4.320 -3.031 -7.798 447 1HB GLN 61 2HB GLN 61 -3.278 -1.051 -7.607 448 2HB GLN 61 3HB GLN 61 -2.270 -2.060 -6.564 449 1HG GLN 61 2HG GLN 61 -0.546 -2.134 -8.309 450 2HG GLN 61 3HG GLN 61 -1.578 -1.259 -9.448 451 1HE2 GLN 61 1HE2 GLN 61 -1.771 0.994 -9.265 452 2HE2 GLN 61 2HE2 GLN 61 -0.832 1.895 -8.066 453 H GLU 62 H GLU 62 -1.533 -4.098 -9.829 454 HA GLU 62 HA GLU 62 -2.270 -2.816 -12.203 455 1HB GLU 62 2HB GLU 62 -0.168 -4.066 -11.907 456 2HB GLU 62 3HB GLU 62 -1.073 -5.592 -11.814 457 1HG GLU 62 2HG GLU 62 -1.834 -5.402 -14.058 458 2HG GLU 62 3HG GLU 62 -1.140 -3.757 -14.205 459 H LYS 63 H LYS 63 -3.525 -5.847 -10.744 460 HA LYS 63 HA LYS 63 -5.173 -6.581 -12.908 461 1HB LYS 63 2HB LYS 63 -4.437 -7.867 -10.711 462 2HB LYS 63 3HB LYS 63 -5.837 -7.073 -9.990 463 1HG LYS 63 2HG LYS 63 -6.812 -8.984 -10.629 464 2HG LYS 63 3HG LYS 63 -7.084 -8.062 -12.097 465 1HD LYS 63 2HD LYS 63 -4.842 -10.086 -11.615 466 2HD LYS 63 3HD LYS 63 -6.328 -10.377 -12.531 467 1HE LYS 63 2HE LYS 63 -5.643 -8.501 -14.110 468 2HE LYS 63 3HE LYS 63 -4.062 -8.480 -13.287 469 1HZ LYS 63 1HZ LYS 63 -4.034 -9.806 -15.256 470 2HZ LYS 63 2HZ LYS 63 -3.769 -10.758 -13.945 471 3HZ LYS 63 3HZ LYS 63 -5.236 -10.780 -14.695 472 H ILE 64 H ILE 64 -5.931 -4.625 -9.985 473 HA ILE 64 HA ILE 64 -8.634 -4.027 -10.587 474 HB ILE 64 HB ILE 64 -6.527 -2.288 -9.214 475 1HG1 ILE 64 2HG1 ILE 64 -8.584 -4.233 -8.047 476 2HG1 ILE 64 3HG1 ILE 64 -6.860 -4.570 -8.175 477 1HG2 ILE 64 1HG2 ILE 64 -8.416 -1.155 -8.154 478 2HG2 ILE 64 2HG2 ILE 64 -8.467 -0.962 -9.892 479 3HG2 ILE 64 3HG2 ILE 64 -9.552 -2.139 -9.107 480 1HD1 ILE 64 1HD1 ILE 64 -8.161 -2.488 -6.401 481 2HD1 ILE 64 2HD1 ILE 64 -7.237 -3.923 -5.943 482 3HD1 ILE 64 3HD1 ILE 64 -6.410 -2.561 -6.721 483 H GLU 65 H GLU 65 -5.615 -2.358 -11.544 484 HA GLU 65 HA GLU 65 -6.855 -0.227 -12.944 485 1HB GLU 65 2HB GLU 65 -4.130 -1.517 -13.319 486 2HB GLU 65 3HB GLU 65 -4.628 0.017 -14.048 487 1HG GLU 65 2HG GLU 65 -4.929 1.041 -11.859 488 2HG GLU 65 3HG GLU 65 -4.627 -0.471 -11.034 489 H LYS 66 H LYS 66 -5.538 -3.321 -14.262 490 HA LYS 66 HA LYS 66 -6.460 -2.711 -16.927 491 1HB LYS 66 2HB LYS 66 -5.416 -5.198 -15.582 492 2HB LYS 66 3HB LYS 66 -6.183 -5.277 -17.175 493 1HG LYS 66 2HG LYS 66 -4.047 -4.972 -17.843 494 2HG LYS 66 3HG LYS 66 -4.577 -3.296 -17.835 495 1HD LYS 66 2HD LYS 66 -3.598 -3.204 -15.420 496 2HD LYS 66 3HD LYS 66 -2.954 -4.808 -15.777 497 1HE LYS 66 2HE LYS 66 -1.106 -3.740 -16.515 498 2HE LYS 66 3HE LYS 66 -2.035 -3.370 -17.959 499 1HZ LYS 66 1HZ LYS 66 -1.022 -1.425 -16.973 500 2HZ LYS 66 2HZ LYS 66 -2.660 -1.275 -16.893 501 3HZ LYS 66 3HZ LYS 66 -1.794 -1.660 -15.546 502 H LEU 67 H LEU 67 -8.165 -4.132 -14.134 503 HA LEU 67 HA LEU 67 -10.415 -4.989 -15.765 504 1HB LEU 67 2HB LEU 67 -9.826 -4.643 -12.859 505 2HB LEU 67 3HB LEU 67 -11.501 -4.585 -13.343 506 HG LEU 67 HG LEU 67 -10.255 -6.833 -14.715 507 1HD1 LEU 67 1HD1 LEU 67 -8.702 -7.017 -13.065 508 2HD1 LEU 67 2HD1 LEU 67 -9.816 -6.625 -11.734 509 3HD1 LEU 67 3HD1 LEU 67 -9.958 -8.172 -12.602 510 1HD2 LEU 67 1HD2 LEU 67 -12.473 -6.600 -12.650 511 2HD2 LEU 67 2HD2 LEU 67 -12.657 -6.502 -14.415 512 3HD2 LEU 67 3HD2 LEU 67 -12.126 -8.021 -13.664 513 H GLY 68 H GLY 68 -9.214 -1.858 -15.125 514 1HA GLY 68 2HA GLY 68 -10.039 0.051 -16.086 515 2HA GLY 68 3HA GLY 68 -11.598 -0.725 -16.400 516 H TYR 69 H TYR 69 -9.745 -0.415 -13.341 517 HA TYR 69 HA TYR 69 -11.772 1.492 -12.257 518 1HB TYR 69 2HB TYR 69 -10.619 -0.939 -10.852 519 2HB TYR 69 3HB TYR 69 -11.630 0.288 -10.091 520 HD1 TYR 69 HD1 TYR 69 -14.046 0.385 -10.534 521 HD2 TYR 69 HD2 TYR 69 -11.547 -2.523 -12.462 522 HE1 TYR 69 HE1 TYR 69 -16.066 -0.834 -11.298 523 HE2 TYR 69 HE2 TYR 69 -13.578 -3.776 -13.200 524 HH TYR 69 HH TYR 69 -15.841 -3.864 -13.182 525 H HIS 70 H HIS 70 -10.771 2.352 -10.044 526 HA HIS 70 HA HIS 70 -7.884 2.886 -10.409 527 1HB HIS 70 2HB HIS 70 -9.893 4.688 -11.275 528 2HB HIS 70 3HB HIS 70 -9.399 5.307 -9.706 529 HD1 HIS 70 1HD HIS 70 -7.357 6.916 -9.897 530 HD2 HIS 70 2HD HIS 70 -7.621 4.060 -12.985 531 HE1 HIS 70 1HE HIS 70 -5.485 7.444 -11.551 532 H VAL 71 H VAL 71 -6.814 3.308 -8.521 533 HA VAL 71 HA VAL 71 -8.267 2.666 -6.020 534 HB VAL 71 HB VAL 71 -6.042 2.126 -5.176 535 1HG1 VAL 71 1HG1 VAL 71 -6.730 0.644 -7.739 536 2HG1 VAL 71 2HG1 VAL 71 -5.763 0.027 -6.384 537 3HG1 VAL 71 3HG1 VAL 71 -7.483 0.385 -6.148 538 1HG2 VAL 71 1HG2 VAL 71 -4.639 3.569 -6.676 539 2HG2 VAL 71 2HG2 VAL 71 -4.106 1.885 -6.629 540 3HG2 VAL 71 3HG2 VAL 71 -5.009 2.480 -8.028 541 H VAL 72 H VAL 72 -8.233 4.004 -4.265 542 HA VAL 72 HA VAL 72 -7.702 6.836 -4.875 543 HB VAL 72 HB VAL 72 -8.824 5.498 -2.387 544 1HG1 VAL 72 1HG1 VAL 72 -9.902 7.729 -2.018 545 2HG1 VAL 72 2HG1 VAL 72 -8.147 7.875 -1.965 546 3HG1 VAL 72 3HG1 VAL 72 -9.027 8.378 -3.418 547 1HG2 VAL 72 1HG2 VAL 72 -11.052 6.126 -3.297 548 2HG2 VAL 72 2HG2 VAL 72 -10.271 6.637 -4.808 549 3HG2 VAL 72 3HG2 VAL 72 -10.249 4.932 -4.313 550 H THR 73 H THR 73 -5.344 5.849 -5.124 551 HA THR 73 HA THR 73 -3.917 5.877 -2.506 552 HB THR 73 HB THR 73 -3.032 4.349 -4.945 553 HG1 THR 73 1HG THR 73 -4.190 2.615 -4.162 554 1HG2 THR 73 1HG2 THR 73 -1.775 3.034 -3.410 555 2HG2 THR 73 2HG2 THR 73 -1.503 4.716 -2.935 556 3HG2 THR 73 3HG2 THR 73 -2.648 3.695 -2.016 557 H GLU 74 H GLU 74 -2.113 7.132 -2.332 558 HA GLU 74 HA GLU 74 -1.664 9.087 -4.526 559 1HB GLU 74 2HB GLU 74 -2.017 9.469 -1.518 560 2HB GLU 74 3HB GLU 74 -1.546 10.756 -2.634 561 1HG GLU 74 2HG GLU 74 -4.175 9.215 -2.904 562 2HG GLU 74 3HG GLU 74 -3.993 10.716 -1.992 563 H LYS 75 H LYS 75 0.310 9.743 -4.824 564 HA LYS 75 HA LYS 75 2.577 8.265 -3.630 565 1HB LYS 75 2HB LYS 75 3.818 9.016 -5.557 566 2HB LYS 75 3HB LYS 75 2.375 8.104 -5.986 567 1HG LYS 75 2HG LYS 75 1.133 10.007 -6.605 568 2HG LYS 75 3HG LYS 75 2.396 11.140 -6.143 569 1HD LYS 75 2HD LYS 75 2.893 8.927 -8.190 570 2HD LYS 75 3HD LYS 75 2.025 10.384 -8.650 571 1HE LYS 75 2HE LYS 75 4.439 10.516 -9.200 572 2HE LYS 75 3HE LYS 75 3.861 11.834 -8.171 573 1HZ LYS 75 1HZ LYS 75 5.968 10.959 -7.424 574 2HZ LYS 75 2HZ LYS 75 4.802 10.739 -6.283 575 3HZ LYS 75 3HZ LYS 75 5.310 9.466 -7.198 576 H ALA 76 H ALA 76 2.428 9.433 -1.616 577 HA ALA 76 HA ALA 76 2.969 12.371 -1.724 578 1HB ALA 76 1HB ALA 76 1.293 11.527 -0.130 579 2HB ALA 76 2HB ALA 76 2.530 10.517 0.648 580 3HB ALA 76 3HB ALA 76 2.657 12.289 0.711 581 H GLU 77 H GLU 77 4.931 13.346 -0.801 582 HA GLU 77 HA GLU 77 7.186 11.436 -0.442 583 1HB GLU 77 2HB GLU 77 7.012 14.195 -1.614 584 2HB GLU 77 3HB GLU 77 8.357 13.867 -0.544 585 1HG GLU 77 2HG GLU 77 8.201 11.647 -2.360 586 2HG GLU 77 3HG GLU 77 8.205 13.165 -3.249 587 H PHE 78 H PHE 78 8.328 11.377 1.330 588 HA PHE 78 HA PHE 78 7.803 13.274 3.562 589 1HB PHE 78 2HB PHE 78 7.764 10.248 3.558 590 2HB PHE 78 3HB PHE 78 8.256 11.181 4.965 591 HD1 PHE 78 1HD PHE 78 6.602 11.992 6.502 592 HD2 PHE 78 2HD PHE 78 5.411 10.821 2.528 593 HE1 PHE 78 1HE PHE 78 4.324 12.739 6.966 594 HE2 PHE 78 2HE PHE 78 3.089 11.517 3.034 595 HZ PHE 78 HZ PHE 78 2.572 12.589 5.207 596 H ASP 79 H ASP 79 9.599 13.517 4.874 597 HA ASP 79 HA ASP 79 12.249 13.094 3.566 598 1HB ASP 79 2HB ASP 79 11.465 15.370 3.648 599 2HB ASP 79 3HB ASP 79 11.161 15.306 5.355 600 H ILE 80 H ILE 80 13.990 12.407 5.094 601 HA ILE 80 HA ILE 80 12.918 11.193 7.640 602 HB ILE 80 HB ILE 80 15.180 10.184 5.910 603 1HG1 ILE 80 2HG1 ILE 80 12.362 9.006 5.899 604 2HG1 ILE 80 3HG1 ILE 80 12.941 10.108 4.640 605 1HG2 ILE 80 1HG2 ILE 80 13.491 8.825 8.057 606 2HG2 ILE 80 2HG2 ILE 80 14.926 8.144 7.259 607 3HG2 ILE 80 3HG2 ILE 80 15.095 9.528 8.323 608 1HD1 ILE 80 1HD1 ILE 80 13.292 7.939 3.867 609 2HD1 ILE 80 2HD1 ILE 80 14.858 8.699 4.206 610 3HD1 ILE 80 3HD1 ILE 80 14.187 7.467 5.321 611 H GLU 81 H GLU 81 14.022 11.937 9.525 612 HA GLU 81 HA GLU 81 16.606 13.409 8.970 613 1HB GLU 81 2HB GLU 81 14.517 14.768 9.361 614 2HB GLU 81 3HB GLU 81 14.475 14.164 10.999 615 1HG GLU 81 2HG GLU 81 16.857 15.222 11.211 616 2HG GLU 81 3HG GLU 81 16.512 15.951 9.646 617 H GLY 82 H GLY 82 15.787 10.549 9.789 618 1HA GLY 82 2HA GLY 82 17.046 10.351 12.491 619 2HA GLY 82 3HA GLY 82 15.879 9.246 11.789 620 H MET 83 H MET 83 17.125 8.733 9.153 621 HA MET 83 HA MET 83 18.904 6.821 9.856 622 1HB MET 83 2HB MET 83 19.423 6.697 7.431 623 2HB MET 83 3HB MET 83 17.700 7.013 7.684 624 1HG MET 83 2HG MET 83 18.184 8.503 5.994 625 2HG MET 83 3HG MET 83 18.364 9.538 7.407 626 1HE MET 83 1HE MET 83 20.638 6.942 5.385 627 2HE MET 83 2HE MET 83 19.912 8.113 4.248 628 3HE MET 83 3HE MET 83 21.664 8.136 4.548 629 H THR 84 H THR 84 21.094 6.469 9.779 630 HA THR 84 HA THR 84 22.799 8.917 9.994 631 HB THR 84 HB THR 84 22.141 7.870 12.161 632 HG1 THR 84 1HG THR 84 24.246 7.986 12.964 633 1HG2 THR 84 1HG2 THR 84 24.007 5.592 11.365 634 2HG2 THR 84 2HG2 THR 84 23.172 5.814 12.908 635 3HG2 THR 84 3HG2 THR 84 22.238 5.456 11.448 636 H CYS 85 H CYS 85 22.158 7.139 7.684 637 HA CYS 85 HA CYS 85 23.288 6.454 5.853 638 1HB CYS 85 2HB CYS 85 24.584 8.574 6.244 639 2HB CYS 85 3HB CYS 85 25.819 7.606 7.082 640 HG CYS 85 HG CYS 85 24.679 7.458 4.002 641 H ALA 86 H ALA 86 22.690 4.419 6.998 642 HA ALA 86 HA ALA 86 24.940 2.584 6.629 643 1HB ALA 86 1HB ALA 86 24.386 1.286 8.696 644 2HB ALA 86 2HB ALA 86 25.093 2.876 9.035 645 3HB ALA 86 3HB ALA 86 23.353 2.626 9.245 646 H ALA 87 H ALA 87 21.693 2.188 8.103 647 HA ALA 87 HA ALA 87 20.529 1.395 5.530 648 1HB ALA 87 1HB ALA 87 21.774 -0.644 6.222 649 2HB ALA 87 2HB ALA 87 20.902 -0.642 7.769 650 3HB ALA 87 3HB ALA 87 20.033 -0.915 6.248 651 H CYS 88 H CYS 88 19.939 3.461 7.856 652 HA CYS 88 HA CYS 88 17.807 2.227 9.347 653 1HB CYS 88 2HB CYS 88 18.450 5.101 8.790 654 2HB CYS 88 3HB CYS 88 17.322 4.539 10.038 655 HG CYS 88 HG CYS 88 19.342 5.178 11.393 656 H ALA 89 H ALA 89 17.955 4.456 6.547 657 HA ALA 89 HA ALA 89 15.212 4.653 5.979 658 1HB ALA 89 1HB ALA 89 16.882 6.095 4.974 659 2HB ALA 89 2HB ALA 89 17.496 4.730 4.024 660 3HB ALA 89 3HB ALA 89 15.850 5.315 3.762 661 H ASN 90 H ASN 90 17.594 2.106 5.335 662 HA ASN 90 HA ASN 90 16.042 0.577 3.458 663 1HB ASN 90 2HB ASN 90 18.628 0.374 4.282 664 2HB ASN 90 3HB ASN 90 17.913 -0.823 5.349 665 1HD2 ASN 90 1HD2 ASN 90 18.745 -0.042 2.019 666 2HD2 ASN 90 2HD2 ASN 90 18.346 -1.618 1.375 667 H ARG 91 H ARG 91 16.404 0.589 6.987 668 HA ARG 91 HA ARG 91 14.750 -1.696 7.500 669 1HB ARG 91 2HB ARG 91 16.532 -0.114 8.946 670 2HB ARG 91 3HB ARG 91 15.000 0.335 9.682 671 1HG ARG 91 2HG ARG 91 15.930 -2.549 9.257 672 2HG ARG 91 3HG ARG 91 16.345 -1.603 10.687 673 1HD ARG 91 2HD ARG 91 14.085 -1.367 11.369 674 2HD ARG 91 3HD ARG 91 13.433 -2.045 9.889 675 HE ARG 91 HE ARG 91 14.755 -3.422 12.168 676 1HH1 ARG 91 2HH2 ARG 91 13.349 -3.796 8.948 677 2HH1 ARG 91 1HH2 ARG 91 13.248 -5.529 9.020 678 1HH2 ARG 91 2HH1 ARG 91 14.701 -5.724 12.265 679 2HH2 ARG 91 1HH1 ARG 91 14.057 -6.645 10.950 680 H ILE 92 H ILE 92 14.101 1.824 7.695 681 HA ILE 92 HA ILE 92 11.303 1.452 8.292 682 HB ILE 92 HB ILE 92 11.016 3.839 7.658 683 1HG1 ILE 92 2HG1 ILE 92 13.495 4.934 7.539 684 2HG1 ILE 92 3HG1 ILE 92 13.672 3.460 6.587 685 1HG2 ILE 92 1HG2 ILE 92 12.346 4.732 9.492 686 2HG2 ILE 92 2HG2 ILE 92 11.582 3.208 9.935 687 3HG2 ILE 92 3HG2 ILE 92 13.316 3.240 9.535 688 1HD1 ILE 92 1HD1 ILE 92 11.754 4.193 5.151 689 2HD1 ILE 92 2HD1 ILE 92 11.633 5.672 6.139 690 3HD1 ILE 92 3HD1 ILE 92 13.080 5.371 5.167 691 H GLU 93 H GLU 93 13.075 1.589 5.156 692 HA GLU 93 HA GLU 93 10.948 1.915 3.430 693 1HB GLU 93 2HB GLU 93 13.278 1.947 2.731 694 2HB GLU 93 3HB GLU 93 13.505 0.250 3.119 695 1HG GLU 93 2HG GLU 93 11.302 0.977 1.228 696 2HG GLU 93 3HG GLU 93 12.969 1.171 0.676 697 H LYS 94 H LYS 94 12.419 -1.196 4.480 698 HA LYS 94 HA LYS 94 10.440 -2.800 3.287 699 1HB LYS 94 2HB LYS 94 12.538 -3.276 5.360 700 2HB LYS 94 3HB LYS 94 11.138 -4.340 5.463 701 1HG LYS 94 2HG LYS 94 12.656 -5.490 4.028 702 2HG LYS 94 3HG LYS 94 11.311 -4.895 3.068 703 1HD LYS 94 2HD LYS 94 12.937 -4.197 1.653 704 2HD LYS 94 3HD LYS 94 12.940 -2.803 2.707 705 1HE LYS 94 2HE LYS 94 14.853 -5.174 2.958 706 2HE LYS 94 3HE LYS 94 15.192 -3.639 2.143 707 1HZ LYS 94 1HZ LYS 94 14.704 -2.535 4.274 708 2HZ LYS 94 2HZ LYS 94 14.747 -4.012 5.016 709 3HZ LYS 94 3HZ LYS 94 16.071 -3.408 4.197 710 H ARG 95 H ARG 95 10.165 -0.875 6.180 711 HA ARG 95 HA ARG 95 7.699 -2.307 7.037 712 1HB ARG 95 2HB ARG 95 9.061 0.219 8.011 713 2HB ARG 95 3HB ARG 95 7.451 -0.245 8.537 714 1HG ARG 95 2HG ARG 95 9.685 -2.284 8.654 715 2HG ARG 95 3HG ARG 95 9.599 -1.001 9.861 716 1HD ARG 95 2HD ARG 95 7.355 -1.617 10.517 717 2HD ARG 95 3HD ARG 95 7.240 -2.821 9.214 718 HE ARG 95 HE ARG 95 9.484 -3.514 10.737 719 1HH1 ARG 95 2HH2 ARG 95 6.012 -3.202 11.243 720 2HH1 ARG 95 1HH2 ARG 95 5.886 -4.490 12.397 721 1HH2 ARG 95 2HH1 ARG 95 9.363 -5.277 12.245 722 2HH2 ARG 95 1HH1 ARG 95 7.849 -5.701 12.972 723 H LEU 96 H LEU 96 8.316 1.043 5.993 724 HA LEU 96 HA LEU 96 5.720 1.870 5.424 725 1HB LEU 96 2HB LEU 96 8.385 2.592 4.209 726 2HB LEU 96 3HB LEU 96 6.887 3.237 3.549 727 HG LEU 96 HG LEU 96 6.763 3.557 6.423 728 1HD1 LEU 96 1HD1 LEU 96 9.227 4.744 5.096 729 2HD1 LEU 96 2HD1 LEU 96 8.581 5.206 6.686 730 3HD1 LEU 96 3HD1 LEU 96 9.176 3.563 6.422 731 1HD2 LEU 96 1HD2 LEU 96 6.418 5.905 5.776 732 2HD2 LEU 96 2HD2 LEU 96 6.986 5.560 4.131 733 3HD2 LEU 96 3HD2 LEU 96 5.480 4.823 4.726 734 H ASN 97 H ASN 97 7.917 0.282 3.161 735 HA ASN 97 HA ASN 97 6.650 0.165 0.792 736 1HB ASN 97 2HB ASN 97 8.839 -0.746 1.427 737 2HB ASN 97 3HB ASN 97 8.063 -2.176 2.130 738 1HD2 ASN 97 1HD2 ASN 97 10.133 -1.917 0.059 739 2HD2 ASN 97 2HD2 ASN 97 9.476 -2.589 -1.428 740 H LYS 98 H LYS 98 5.646 -1.812 3.631 741 HA LYS 98 HA LYS 98 3.022 -1.810 2.536 742 1HB LYS 98 2HB LYS 98 2.489 -4.157 2.487 743 2HB LYS 98 3HB LYS 98 3.600 -3.713 1.223 744 1HG LYS 98 2HG LYS 98 5.166 -4.572 3.526 745 2HG LYS 98 3HG LYS 98 3.835 -5.699 3.302 746 1HD LYS 98 2HD LYS 98 5.754 -6.538 2.061 747 2HD LYS 98 3HD LYS 98 4.548 -5.941 0.880 748 1HE LYS 98 2HE LYS 98 5.766 -3.756 0.904 749 2HE LYS 98 3HE LYS 98 7.076 -4.510 1.820 750 1HZ LYS 98 1HZ LYS 98 7.271 -4.276 -0.610 751 2HZ LYS 98 2HZ LYS 98 7.525 -5.840 -0.105 752 3HZ LYS 98 3HZ LYS 98 6.105 -5.388 -0.839 753 H ILE 99 H ILE 99 3.089 -0.519 4.546 754 HA ILE 99 HA ILE 99 2.935 -1.946 7.083 755 HB ILE 99 HB ILE 99 1.805 0.722 6.166 756 1HG1 ILE 99 2HG1 ILE 99 4.276 0.533 6.346 757 2HG1 ILE 99 3HG1 ILE 99 3.538 1.756 7.383 758 1HG2 ILE 99 1HG2 ILE 99 1.616 -0.603 8.888 759 2HG2 ILE 99 2HG2 ILE 99 1.526 1.156 8.663 760 3HG2 ILE 99 3HG2 ILE 99 0.323 0.118 7.911 761 1HD1 ILE 99 1HD1 ILE 99 5.302 0.625 8.581 762 2HD1 ILE 99 2HD1 ILE 99 3.764 0.212 9.340 763 3HD1 ILE 99 3HD1 ILE 99 4.581 -0.967 8.284 764 H GLU 100 H GLU 100 0.233 -0.414 5.335 765 HA GLU 100 HA GLU 100 -1.332 -2.933 5.414 766 1HB GLU 100 2HB GLU 100 -2.163 -0.280 6.676 767 2HB GLU 100 3HB GLU 100 -3.308 -1.569 6.242 768 1HG GLU 100 2HG GLU 100 -2.052 -3.149 7.701 769 2HG GLU 100 3HG GLU 100 -1.001 -1.820 8.217 770 H GLY 101 H GLY 101 -2.805 0.196 4.688 771 1HA GLY 101 2HA GLY 101 -3.230 -0.707 1.950 772 2HA GLY 101 3HA GLY 101 -3.881 0.757 2.727 773 H VAL 102 H VAL 102 -0.649 -0.581 2.029 774 HA VAL 102 HA VAL 102 0.168 1.992 0.747 775 HB VAL 102 HB VAL 102 1.935 0.095 2.314 776 1HG1 VAL 102 1HG1 VAL 102 3.421 2.256 2.115 777 2HG1 VAL 102 2HG1 VAL 102 3.260 1.200 0.697 778 3HG1 VAL 102 3HG1 VAL 102 2.336 2.706 0.815 779 1HG2 VAL 102 1HG2 VAL 102 2.030 1.794 4.047 780 2HG2 VAL 102 2HG2 VAL 102 0.873 2.806 3.178 781 3HG2 VAL 102 3HG2 VAL 102 0.357 1.247 3.840 782 H ALA 103 H ALA 103 0.575 1.784 -1.340 783 HA ALA 103 HA ALA 103 0.592 -0.858 -2.576 784 1HB ALA 103 1HB ALA 103 -0.564 0.945 -3.717 785 2HB ALA 103 2HB ALA 103 0.905 1.945 -3.707 786 3HB ALA 103 3HB ALA 103 0.856 0.456 -4.662 787 H ASN 104 H ASN 104 2.824 1.905 -2.006 788 HA ASN 104 HA ASN 104 5.181 0.156 -2.221 789 1HB ASN 104 2HB ASN 104 4.758 2.473 -4.183 790 2HB ASN 104 3HB ASN 104 6.268 1.598 -3.944 791 1HD2 ASN 104 1HD2 ASN 104 3.055 1.445 -5.401 792 2HD2 ASN 104 2HD2 ASN 104 3.376 -0.037 -6.276 793 H ALA 105 H ALA 105 7.169 1.463 -1.789 794 HA ALA 105 HA ALA 105 6.856 4.166 -0.997 795 1HB ALA 105 1HB ALA 105 5.912 3.165 1.085 796 2HB ALA 105 2HB ALA 105 7.445 2.306 1.331 797 3HB ALA 105 3HB ALA 105 7.404 4.073 1.376 798 HA PRO 106 HA PRO 106 11.162 2.770 -2.026 799 1HB PRO 106 2HB PRO 106 11.732 4.429 -4.116 800 2HB PRO 106 3HB PRO 106 10.771 2.932 -4.296 801 1HG PRO 106 2HG PRO 106 9.763 5.756 -3.987 802 2HG PRO 106 3HG PRO 106 9.244 4.547 -5.193 803 1HD PRO 106 2HD PRO 106 7.832 4.983 -2.885 804 2HD PRO 106 3HD PRO 106 7.982 3.349 -3.586 805 H VAL 107 H VAL 107 13.057 3.677 -1.303 806 HA VAL 107 HA VAL 107 12.921 6.330 0.015 807 HB VAL 107 HB VAL 107 14.849 5.566 1.316 808 1HG1 VAL 107 1HG1 VAL 107 12.447 3.703 1.500 809 2HG1 VAL 107 2HG1 VAL 107 13.594 4.135 2.803 810 3HG1 VAL 107 3HG1 VAL 107 12.526 5.352 2.126 811 1HG2 VAL 107 1HG2 VAL 107 15.794 3.842 -0.191 812 2HG2 VAL 107 2HG2 VAL 107 15.440 3.182 1.413 813 3HG2 VAL 107 3HG2 VAL 107 14.368 2.828 0.051 814 H ASN 108 H ASN 108 14.358 7.964 -0.465 815 HA ASN 108 HA ASN 108 15.864 7.712 -2.967 816 1HB ASN 108 2HB ASN 108 15.257 9.902 -0.967 817 2HB ASN 108 3HB ASN 108 16.539 10.096 -2.161 818 1HD2 ASN 108 1HD2 ASN 108 15.847 11.326 -3.861 819 2HD2 ASN 108 2HD2 ASN 108 14.285 11.128 -4.632 820 H PHE 109 H PHE 109 16.507 7.766 0.517 821 HA PHE 109 HA PHE 109 18.308 7.654 1.798 822 1HB PHE 109 2HB PHE 109 19.311 6.200 -0.632 823 2HB PHE 109 3HB PHE 109 20.505 6.891 0.428 824 HD1 PHE 109 1HD PHE 109 20.683 6.263 2.807 825 HD2 PHE 109 2HD PHE 109 18.037 4.254 0.071 826 HE1 PHE 109 1HE PHE 109 20.555 4.342 4.357 827 HE2 PHE 109 2HE PHE 109 17.922 2.320 1.591 828 HZ PHE 109 HZ PHE 109 19.358 2.278 3.654 829 H ALA 110 H ALA 110 19.331 8.996 -1.373 830 HA ALA 110 HA ALA 110 21.704 10.160 -0.243 831 1HB ALA 110 1HB ALA 110 21.532 9.418 -2.594 832 2HB ALA 110 2HB ALA 110 20.297 10.658 -2.911 833 3HB ALA 110 3HB ALA 110 21.960 11.138 -2.502 834 H LEU 111 H LEU 111 18.490 11.307 -1.039 835 HA LEU 111 HA LEU 111 19.073 14.078 -0.141 836 1HB LEU 111 2HB LEU 111 16.481 12.955 -1.185 837 2HB LEU 111 3HB LEU 111 16.985 14.639 -1.132 838 HG LEU 111 HG LEU 111 17.838 12.317 -2.928 839 1HD1 LEU 111 1HD1 LEU 111 15.698 13.490 -3.422 840 2HD1 LEU 111 2HD1 LEU 111 16.582 15.015 -3.587 841 3HD1 LEU 111 3HD1 LEU 111 16.892 13.685 -4.721 842 1HD2 LEU 111 1HD2 LEU 111 19.902 13.692 -2.519 843 2HD2 LEU 111 2HD2 LEU 111 19.304 13.959 -4.160 844 3HD2 LEU 111 3HD2 LEU 111 18.994 15.168 -2.896 845 H GLU 112 H GLU 112 18.529 11.254 1.445 846 HA GLU 112 HA GLU 112 17.406 10.486 3.207 847 1HB GLU 112 2HB GLU 112 17.500 13.400 4.082 848 2HB GLU 112 3HB GLU 112 17.430 11.968 5.112 849 1HG GLU 112 2HG GLU 112 19.638 11.218 4.228 850 2HG GLU 112 3HG GLU 112 19.742 12.683 3.239 851 H THR 113 H THR 113 15.547 10.232 1.456 852 HA THR 113 HA THR 113 13.090 11.306 2.659 853 HB THR 113 HB THR 113 12.259 12.434 0.851 854 HG1 THR 113 1HG THR 113 12.155 11.529 -0.999 855 1HG2 THR 113 1HG2 THR 113 15.192 12.462 0.235 856 2HG2 THR 113 2HG2 THR 113 14.076 13.585 -0.498 857 3HG2 THR 113 3HG2 THR 113 14.386 13.630 1.272 858 H VAL 114 H VAL 114 11.165 10.303 1.818 859 HA VAL 114 HA VAL 114 11.447 7.730 0.508 860 HB VAL 114 HB VAL 114 11.603 7.119 2.844 861 1HG1 VAL 114 1HG1 VAL 114 9.993 7.542 4.533 862 2HG1 VAL 114 2HG1 VAL 114 10.460 9.113 3.864 863 3HG1 VAL 114 3HG1 VAL 114 8.913 8.362 3.401 864 1HG2 VAL 114 1HG2 VAL 114 10.243 5.702 1.243 865 2HG2 VAL 114 2HG2 VAL 114 9.877 5.480 2.961 866 3HG2 VAL 114 3HG2 VAL 114 8.789 6.442 1.950 867 H THR 115 H THR 115 9.932 7.533 -0.993 868 HA THR 115 HA THR 115 7.592 9.385 -0.978 869 HB THR 115 HB THR 115 8.532 7.281 -2.944 870 HG1 THR 115 1HG THR 115 9.524 9.559 -2.631 871 1HG2 THR 115 1HG2 THR 115 6.808 8.237 -4.463 872 2HG2 THR 115 2HG2 THR 115 6.071 7.469 -3.048 873 3HG2 THR 115 3HG2 THR 115 6.203 9.242 -3.129 874 H VAL 116 H VAL 116 5.551 8.523 -0.478 875 HA VAL 116 HA VAL 116 5.370 5.644 0.209 876 HB VAL 116 HB VAL 116 5.565 6.913 2.291 877 1HG1 VAL 116 1HG1 VAL 116 4.496 9.051 1.513 878 2HG1 VAL 116 2HG1 VAL 116 2.922 8.252 1.603 879 3HG1 VAL 116 3HG1 VAL 116 3.890 8.449 3.068 880 1HG2 VAL 116 1HG2 VAL 116 2.823 5.722 1.772 881 2HG2 VAL 116 2HG2 VAL 116 4.287 4.822 2.208 882 3HG2 VAL 116 3HG2 VAL 116 3.562 5.950 3.366 883 H GLU 117 H GLU 117 3.988 4.741 -1.114 884 HA GLU 117 HA GLU 117 2.028 6.402 -2.610 885 1HB GLU 117 2HB GLU 117 4.069 4.797 -3.563 886 2HB GLU 117 3HB GLU 117 2.746 3.629 -3.499 887 1HG GLU 117 2HG GLU 117 2.848 6.244 -4.999 888 2HG GLU 117 3HG GLU 117 2.816 4.619 -5.691 889 H TYR 118 H TYR 118 0.253 6.302 -1.190 890 HA TYR 118 HA TYR 118 -0.707 3.629 -0.395 891 1HB TYR 118 2HB TYR 118 -0.524 3.876 1.891 892 2HB TYR 118 3HB TYR 118 1.037 4.468 1.354 893 HD1 TYR 118 HD1 TYR 118 -1.637 4.990 3.546 894 HD2 TYR 118 HD2 TYR 118 0.916 7.224 0.886 895 HE1 TYR 118 HE1 TYR 118 -1.993 7.011 4.903 896 HE2 TYR 118 HE2 TYR 118 0.574 9.248 2.256 897 HH TYR 118 HH TYR 118 -0.467 10.153 4.120 898 H ASN 119 H ASN 119 -2.678 3.804 1.024 899 HA ASN 119 HA ASN 119 -4.494 5.588 -0.489 900 1HB ASN 119 2HB ASN 119 -4.479 3.032 -0.520 901 2HB ASN 119 3HB ASN 119 -5.153 3.101 1.100 902 1HD2 ASN 119 1HD2 ASN 119 -5.790 3.308 -2.309 903 2HD2 ASN 119 2HD2 ASN 119 -7.526 3.517 -2.150 904 HA PRO 120 HA PRO 120 -4.372 7.505 3.625 905 1HB PRO 120 2HB PRO 120 -4.935 10.092 3.051 906 2HB PRO 120 3HB PRO 120 -3.434 9.314 2.491 907 1HG PRO 120 2HG PRO 120 -6.027 9.573 0.922 908 2HG PRO 120 3HG PRO 120 -4.401 10.138 0.427 909 1HD PRO 120 2HD PRO 120 -5.320 7.723 -0.349 910 2HD PRO 120 3HD PRO 120 -3.620 7.944 0.156 911 H LYS 121 H LYS 121 -6.784 6.067 2.580 912 HA LYS 121 HA LYS 121 -8.928 7.466 4.120 913 1HB LYS 121 2HB LYS 121 -9.223 5.258 2.046 914 2HB LYS 121 3HB LYS 121 -10.504 6.212 2.802 915 1HG LYS 121 2HG LYS 121 -8.356 7.245 0.871 916 2HG LYS 121 3HG LYS 121 -10.029 6.914 0.491 917 1HD LYS 121 2HD LYS 121 -10.740 8.640 2.190 918 2HD LYS 121 3HD LYS 121 -9.027 9.028 2.448 919 1HE LYS 121 2HE LYS 121 -8.820 9.549 -0.015 920 2HE LYS 121 3HE LYS 121 -10.571 9.313 -0.171 921 1HZ LYS 121 1HZ LYS 121 -9.244 11.323 1.529 922 2HZ LYS 121 2HZ LYS 121 -9.993 11.616 0.094 923 3HZ LYS 121 3HZ LYS 121 -10.873 11.119 1.393 924 H GLU 122 H GLU 122 -7.327 4.346 3.383 925 HA GLU 122 HA GLU 122 -8.373 2.955 5.681 926 1HB GLU 122 2HB GLU 122 -6.460 2.472 3.456 927 2HB GLU 122 3HB GLU 122 -5.926 1.780 4.998 928 1HG GLU 122 2HG GLU 122 -8.520 1.147 3.541 929 2HG GLU 122 3HG GLU 122 -7.102 0.146 3.744 930 H ALA 123 H ALA 123 -5.208 4.537 4.964 931 HA ALA 123 HA ALA 123 -4.665 4.696 7.916 932 1HB ALA 123 1HB ALA 123 -2.298 4.412 7.374 933 2HB ALA 123 2HB ALA 123 -3.236 3.051 6.746 934 3HB ALA 123 3HB ALA 123 -2.682 4.326 5.640 935 H SER 124 H SER 124 -2.587 6.421 7.994 936 HA SER 124 HA SER 124 -2.860 8.682 6.240 937 1HB SER 124 2HB SER 124 -3.616 10.324 7.879 938 2HB SER 124 3HB SER 124 -4.860 9.085 7.683 939 HG SER 124 HG SER 124 -4.072 8.100 9.585 940 H VAL 125 H VAL 125 -1.292 10.412 6.952 941 HA VAL 125 HA VAL 125 1.191 9.734 7.685 942 HB VAL 125 HB VAL 125 -0.096 12.294 8.744 943 1HG1 VAL 125 1HG1 VAL 125 2.698 11.493 7.921 944 2HG1 VAL 125 2HG1 VAL 125 2.189 13.187 8.132 945 3HG1 VAL 125 3HG1 VAL 125 2.143 12.077 9.500 946 1HG2 VAL 125 1HG2 VAL 125 -0.828 12.228 6.450 947 2HG2 VAL 125 2HG2 VAL 125 0.615 13.226 6.479 948 3HG2 VAL 125 3HG2 VAL 125 0.716 11.542 5.906 949 H SER 126 H SER 126 -1.476 10.170 10.021 950 HA SER 126 HA SER 126 0.052 10.281 12.389 951 1HB SER 126 2HB SER 126 -2.683 8.988 12.024 952 2HB SER 126 3HB SER 126 -1.973 9.620 13.522 953 HG SER 126 HG SER 126 -2.920 11.022 11.266 954 H ASP 127 H ASP 127 -1.020 7.460 10.450 955 HA ASP 127 HA ASP 127 -0.219 5.425 12.361 956 1HB ASP 127 2HB ASP 127 -1.744 4.696 10.695 957 2HB ASP 127 3HB ASP 127 -0.831 5.459 9.382 958 H LEU 128 H LEU 128 1.209 6.888 9.479 959 HA LEU 128 HA LEU 128 3.657 5.460 9.414 960 1HB LEU 128 2HB LEU 128 3.084 8.310 8.535 961 2HB LEU 128 3HB LEU 128 4.536 7.395 8.149 962 HG LEU 128 HG LEU 128 1.696 6.671 7.285 963 1HD1 LEU 128 1HD1 LEU 128 2.504 7.271 5.064 964 2HD1 LEU 128 2HD1 LEU 128 2.758 8.640 6.161 965 3HD1 LEU 128 3HD1 LEU 128 4.129 7.603 5.715 966 1HD2 LEU 128 1HD2 LEU 128 2.878 4.582 7.526 967 2HD2 LEU 128 2HD2 LEU 128 2.990 4.999 5.816 968 3HD2 LEU 128 3HD2 LEU 128 4.382 5.283 6.886 969 H LYS 129 H LYS 129 2.805 8.524 11.007 970 HA LYS 129 HA LYS 129 5.330 9.068 12.122 971 1HB LYS 129 2HB LYS 129 2.494 9.743 12.959 972 2HB LYS 129 3HB LYS 129 3.841 10.323 13.914 973 1HG LYS 129 2HG LYS 129 3.946 10.766 10.921 974 2HG LYS 129 3HG LYS 129 2.768 11.678 11.851 975 1HD LYS 129 2HD LYS 129 4.806 12.920 11.505 976 2HD LYS 129 3HD LYS 129 4.437 12.730 13.211 977 1HE LYS 129 2HE LYS 129 6.506 11.047 11.686 978 2HE LYS 129 3HE LYS 129 6.884 12.538 12.540 979 1HZ LYS 129 1HZ LYS 129 6.127 11.502 14.595 980 2HZ LYS 129 2HZ LYS 129 5.908 10.066 13.831 981 3HZ LYS 129 3HZ LYS 129 7.397 10.709 13.935 982 H GLU 130 H GLU 130 2.592 7.103 13.431 983 HA GLU 130 HA GLU 130 3.880 6.589 15.939 984 1HB GLU 130 2HB GLU 130 1.389 6.297 15.016 985 2HB GLU 130 3HB GLU 130 1.910 4.643 14.693 986 1HG GLU 130 2HG GLU 130 2.186 6.036 17.411 987 2HG GLU 130 3HG GLU 130 0.743 5.175 16.876 988 H ALA 131 H ALA 131 3.715 4.815 12.857 989 HA ALA 131 HA ALA 131 5.085 2.471 13.642 990 1HB ALA 131 1HB ALA 131 4.970 3.822 10.904 991 2HB ALA 131 2HB ALA 131 5.430 2.136 11.220 992 3HB ALA 131 3HB ALA 131 3.774 2.685 11.558 993 H VAL 132 H VAL 132 6.343 5.503 12.086 994 HA VAL 132 HA VAL 132 9.025 4.493 12.092 995 HB VAL 132 HB VAL 132 7.923 7.272 11.622 996 1HG1 VAL 132 1HG1 VAL 132 10.255 7.431 12.379 997 2HG1 VAL 132 2HG1 VAL 132 10.724 6.105 11.284 998 3HG1 VAL 132 3HG1 VAL 132 10.208 7.674 10.647 999 1HG2 VAL 132 1HG2 VAL 132 9.006 6.262 9.258 1000 2HG2 VAL 132 2HG2 VAL 132 8.331 4.805 9.973 1001 3HG2 VAL 132 3HG2 VAL 132 7.288 6.202 9.680 1002 H ASP 133 H ASP 133 7.094 6.438 14.394 1003 HA ASP 133 HA ASP 133 9.196 7.186 16.064 1004 1HB ASP 133 2HB ASP 133 6.708 7.777 16.277 1005 2HB ASP 133 3HB ASP 133 6.494 6.240 17.116 1006 H LYS 134 H LYS 134 7.186 4.223 16.132 1007 HA LYS 134 HA LYS 134 8.713 2.742 18.006 1008 1HB LYS 134 2HB LYS 134 6.731 2.103 15.853 1009 2HB LYS 134 3HB LYS 134 7.718 0.767 16.449 1010 1HG LYS 134 2HG LYS 134 6.989 1.038 18.687 1011 2HG LYS 134 3HG LYS 134 6.354 2.670 18.365 1012 1HD LYS 134 2HD LYS 134 4.615 1.811 16.945 1013 2HD LYS 134 3HD LYS 134 5.184 0.135 17.127 1014 1HE LYS 134 2HE LYS 134 4.432 -0.017 19.361 1015 2HE LYS 134 3HE LYS 134 4.590 1.730 19.629 1016 1HZ LYS 134 1HZ LYS 134 2.761 2.150 18.292 1017 2HZ LYS 134 2HZ LYS 134 2.467 0.597 17.943 1018 3HZ LYS 134 3HZ LYS 134 2.295 1.161 19.500 1019 H LEU 135 H LEU 135 9.236 2.934 14.432 1020 HA LEU 135 HA LEU 135 11.489 1.123 14.538 1021 1HB LEU 135 2HB LEU 135 10.710 3.260 12.537 1022 2HB LEU 135 3HB LEU 135 12.235 2.420 12.437 1023 HG LEU 135 HG LEU 135 10.736 1.405 10.922 1024 1HD1 LEU 135 1HD1 LEU 135 11.152 -0.842 11.399 1025 2HD1 LEU 135 2HD1 LEU 135 12.443 0.059 12.205 1026 3HD1 LEU 135 3HD1 LEU 135 11.086 -0.599 13.154 1027 1HD2 LEU 135 1HD2 LEU 135 8.889 0.811 13.251 1028 2HD2 LEU 135 2HD2 LEU 135 8.585 1.845 11.823 1029 3HD2 LEU 135 3HD2 LEU 135 8.757 0.101 11.640 1030 H GLY 136 H GLY 136 11.178 4.443 15.591 1031 1HA GLY 136 2HA GLY 136 12.620 5.448 17.071 1032 2HA GLY 136 3HA GLY 136 13.859 4.230 16.752 1033 H TYR 137 H TYR 137 12.065 6.425 14.536 1034 HA TYR 137 HA TYR 137 14.502 8.039 14.051 1035 1HB TYR 137 2HB TYR 137 12.818 6.812 11.836 1036 2HB TYR 137 3HB TYR 137 14.173 7.890 11.599 1037 HD1 TYR 137 HD1 TYR 137 13.144 4.506 11.779 1038 HD2 TYR 137 HD2 TYR 137 16.463 7.034 12.816 1039 HE1 TYR 137 HE1 TYR 137 14.599 2.512 11.963 1040 HE2 TYR 137 HE2 TYR 137 17.879 5.035 13.137 1041 HH TYR 137 HH TYR 137 16.608 1.730 12.760 1042 H LYS 138 H LYS 138 13.671 10.053 12.504 1043 HA LYS 138 HA LYS 138 10.961 10.783 13.487 1044 1HB LYS 138 2HB LYS 138 11.880 13.121 13.499 1045 2HB LYS 138 3HB LYS 138 12.381 12.053 14.825 1046 1HG LYS 138 2HG LYS 138 14.534 11.628 13.690 1047 2HG LYS 138 3HG LYS 138 14.040 12.676 12.377 1048 1HD LYS 138 2HD LYS 138 13.712 14.545 13.944 1049 2HD LYS 138 3HD LYS 138 14.209 13.508 15.313 1050 1HE LYS 138 2HE LYS 138 16.471 13.312 14.409 1051 2HE LYS 138 3HE LYS 138 15.909 14.041 12.890 1052 1HZ LYS 138 1HZ LYS 138 16.001 15.600 15.345 1053 2HZ LYS 138 2HZ LYS 138 17.136 15.609 14.133 1054 3HZ LYS 138 3HZ LYS 138 15.602 16.054 13.793 1055 H LEU 139 H LEU 139 9.675 11.111 11.906 1056 HA LEU 139 HA LEU 139 10.740 11.146 9.181 1057 1HB LEU 139 2HB LEU 139 8.877 9.493 10.528 1058 2HB LEU 139 3HB LEU 139 7.829 10.574 9.648 1059 HG LEU 139 HG LEU 139 8.434 8.322 8.637 1060 1HD1 LEU 139 1HD1 LEU 139 8.486 9.241 6.338 1061 2HD1 LEU 139 2HD1 LEU 139 7.244 9.937 7.396 1062 3HD1 LEU 139 3HD1 LEU 139 8.741 10.857 7.060 1063 1HD2 LEU 139 1HD2 LEU 139 10.401 7.974 7.421 1064 2HD2 LEU 139 2HD2 LEU 139 10.888 9.674 7.506 1065 3HD2 LEU 139 3HD2 LEU 139 11.023 8.647 8.939 1066 H LYS 140 H LYS 140 10.097 12.780 7.789 1067 HA LYS 140 HA LYS 140 8.619 15.124 8.950 1068 1HB LYS 140 2HB LYS 140 11.195 14.830 7.396 1069 2HB LYS 140 3HB LYS 140 10.298 16.354 7.339 1070 1HG LYS 140 2HG LYS 140 11.265 15.047 9.927 1071 2HG LYS 140 3HG LYS 140 12.276 16.089 8.918 1072 1HD LYS 140 2HD LYS 140 10.494 17.881 9.071 1073 2HD LYS 140 3HD LYS 140 9.691 16.892 10.315 1074 1HE LYS 140 2HE LYS 140 11.779 16.970 11.696 1075 2HE LYS 140 3HE LYS 140 12.602 17.858 10.408 1076 1HZ LYS 140 1HZ LYS 140 10.315 18.879 11.936 1077 2HZ LYS 140 2HZ LYS 140 11.899 19.311 12.104 1078 3HZ LYS 140 3HZ LYS 140 11.100 19.666 10.715 1079 H LEU 141 H LEU 141 7.680 16.498 7.119 1080 HA LEU 141 HA LEU 141 6.507 14.694 5.065 1081 1HB LEU 141 2HB LEU 141 5.528 17.449 5.869 1082 2HB LEU 141 3HB LEU 141 4.717 16.169 4.967 1083 HG LEU 141 HG LEU 141 5.139 14.823 7.289 1084 1HD1 LEU 141 1HD1 LEU 141 4.670 16.298 9.213 1085 2HD1 LEU 141 2HD1 LEU 141 6.225 16.721 8.495 1086 3HD1 LEU 141 3HD1 LEU 141 4.799 17.726 8.169 1087 1HD2 LEU 141 1HD2 LEU 141 2.887 16.791 6.722 1088 2HD2 LEU 141 2HD2 LEU 141 2.981 15.092 6.210 1089 3HD2 LEU 141 3HD2 LEU 141 2.816 15.490 7.927 1090 H LYS 142 H LYS 142 6.743 15.227 2.835 1091 HA LYS 142 HA LYS 142 8.303 17.714 2.174 1092 1HB LYS 142 2HB LYS 142 8.551 14.881 1.343 1093 2HB LYS 142 3HB LYS 142 8.668 16.072 0.036 1094 1HG LYS 142 2HG LYS 142 10.240 16.644 2.503 1095 2HG LYS 142 3HG LYS 142 10.737 15.205 1.560 1096 1HD LYS 142 2HD LYS 142 11.052 16.508 -0.437 1097 2HD LYS 142 3HD LYS 142 10.321 17.934 0.304 1098 1HE LYS 142 2HE LYS 142 12.766 18.155 0.193 1099 2HE LYS 142 3HE LYS 142 12.188 18.206 1.863 1100 1HZ LYS 142 1HZ LYS 142 14.202 16.829 1.444 1101 2HZ LYS 142 2HZ LYS 142 13.079 16.094 2.284 1102 3HZ LYS 142 3HZ LYS 142 13.258 15.722 0.677 1103 H GLY 143 H GLY 143 6.528 19.004 1.976 1104 1HA GLY 143 2HA GLY 143 5.028 20.103 0.621 1105 2HA GLY 143 3HA GLY 143 5.141 18.811 -0.582 1106 H GLU 144 H GLU 144 4.280 16.605 0.469 1107 HA GLU 144 HA GLU 144 2.386 15.430 0.798 1108 1HB GLU 144 2HB GLU 144 3.266 16.428 3.164 1109 2HB GLU 144 3HB GLU 144 1.661 17.134 3.179 1110 1HG GLU 144 2HG GLU 144 1.317 14.384 2.422 1111 2HG GLU 144 3HG GLU 144 2.572 14.403 3.673 1112 H GLN 145 H GLN 145 1.945 17.368 -1.111 1113 HA GLN 145 HA GLN 145 -0.854 17.760 -1.213 1114 1HB GLN 145 2HB GLN 145 0.403 19.697 0.497 1115 2HB GLN 145 3HB GLN 145 0.079 20.532 -1.018 1116 1HG GLN 145 2HG GLN 145 -2.284 19.683 -0.927 1117 2HG GLN 145 3HG GLN 145 -1.928 18.975 0.661 1118 1HE2 GLN 145 1HE2 GLN 145 -3.979 20.911 0.235 1119 2HE2 GLN 145 2HE2 GLN 145 -3.504 22.370 1.094 1120 H ASP 146 H ASP 146 2.297 19.036 -2.127 1121 HA ASP 146 HA ASP 146 3.270 19.668 -3.999 1122 1HB ASP 146 2HB ASP 146 2.918 17.244 -4.435 1123 2HB ASP 146 3HB ASP 146 1.533 17.671 -5.457 1124 H SER 147 H SER 147 2.783 21.752 -4.237 1125 HA SER 147 HA SER 147 1.854 23.664 -5.038 1126 1HB SER 147 2HB SER 147 2.362 22.138 -7.170 1127 2HB SER 147 3HB SER 147 0.599 22.163 -7.337 1128 HG SER 147 HG SER 147 1.576 23.904 -8.441 1129 H ILE 148 H ILE 148 0.288 21.968 -3.202 1130 HA ILE 148 HA ILE 148 -1.748 21.790 -2.242 1131 HB ILE 148 HB ILE 148 -2.099 24.527 -3.514 1132 1HG1 ILE 148 2HG1 ILE 148 -1.390 23.931 -0.624 1133 2HG1 ILE 148 3HG1 ILE 148 -0.120 24.012 -1.845 1134 1HG2 ILE 148 1HG2 ILE 148 -4.312 24.017 -2.825 1135 2HG2 ILE 148 2HG2 ILE 148 -3.757 23.051 -1.447 1136 3HG2 ILE 148 3HG2 ILE 148 -3.660 24.814 -1.412 1137 1HD1 ILE 148 1HD1 ILE 148 -0.767 26.284 -2.475 1138 2HD1 ILE 148 2HD1 ILE 148 -2.034 26.293 -1.231 1139 3HD1 ILE 148 3HD1 ILE 148 -0.334 26.158 -0.760 1140 H GLU 149 H GLU 149 -1.686 20.030 -4.185 1141 HA GLU 149 HA GLU 149 -3.782 20.438 -6.112 1142 1HB GLU 149 2HB GLU 149 -1.905 18.784 -6.342 1143 2HB GLU 149 3HB GLU 149 -2.701 17.763 -5.137 1144 1HG GLU 149 2HG GLU 149 -4.657 17.491 -6.584 1145 2HG GLU 149 3HG GLU 149 -4.068 18.754 -7.691 1146 H GLY 150 H GLY 150 -5.806 19.332 -6.130 1147 1HA GLY 150 2HA GLY 150 -7.088 18.186 -3.841 1148 2HA GLY 150 3HA GLY 150 -7.537 19.900 -4.012 1149 H ARG 151 H ARG 151 -8.163 16.698 -5.159 1150 HA ARG 151 HA ARG 151 -9.890 17.493 -7.347 1151 1HB ARG 151 2HB ARG 151 -7.469 15.618 -7.513 1152 2HB ARG 151 3HB ARG 151 -8.813 15.542 -8.645 1153 1HG ARG 151 2HG ARG 151 -6.938 17.935 -8.291 1154 2HG ARG 151 3HG ARG 151 -6.867 16.717 -9.555 1155 1HD ARG 151 2HD ARG 151 -8.035 18.337 -10.673 1156 2HD ARG 151 3HD ARG 151 -9.381 17.373 -10.003 1157 HE ARG 151 HE ARG 151 -8.699 19.353 -8.109 1158 1HH1 ARG 151 2HH2 ARG 151 -10.221 19.120 -11.259 1159 2HH1 ARG 151 1HH2 ARG 151 -11.057 20.643 -11.165 1160 1HH2 ARG 151 2HH1 ARG 151 -9.702 21.346 -7.923 1161 2HH2 ARG 151 1HH1 ARG 151 -10.730 21.984 -9.178 Start of MODEL 6 1 1H MET 1 H1 MET 1 4.277 -18.446 0.481 2 2H MET 1 H2 MET 1 4.493 -19.282 -0.910 3 3H MET 1 H3 MET 1 3.543 -19.874 0.245 4 HA MET 1 HA MET 1 5.525 -21.108 0.105 5 1HB MET 1 2HB MET 1 6.777 -18.546 0.008 6 2HB MET 1 3HB MET 1 7.453 -19.371 1.403 7 1HG MET 1 2HG MET 1 7.340 -20.535 -1.387 8 2HG MET 1 3HG MET 1 8.735 -19.789 -0.601 9 1HE MET 1 1HE MET 1 9.048 -22.555 -1.967 10 2HE MET 1 2HE MET 1 10.347 -21.762 -1.041 11 3HE MET 1 3HE MET 1 9.938 -23.461 -0.722 12 H LEU 2 H LEU 2 6.618 -19.530 3.037 13 HA LEU 2 HA LEU 2 5.462 -21.715 4.571 14 1HB LEU 2 2HB LEU 2 7.269 -19.356 5.157 15 2HB LEU 2 3HB LEU 2 6.691 -20.396 6.454 16 HG LEU 2 HG LEU 2 7.949 -21.781 4.109 17 1HD1 LEU 2 1HD1 LEU 2 10.196 -21.466 5.114 18 2HD1 LEU 2 2HD1 LEU 2 9.519 -19.944 4.508 19 3HD1 LEU 2 3HD1 LEU 2 9.517 -20.282 6.254 20 1HD2 LEU 2 1HD2 LEU 2 8.700 -23.296 5.900 21 2HD2 LEU 2 2HD2 LEU 2 8.095 -22.183 7.140 22 3HD2 LEU 2 3HD2 LEU 2 6.955 -23.018 6.063 23 H SER 3 H SER 3 3.282 -20.625 3.642 24 HA SER 3 HA SER 3 1.373 -19.466 3.981 25 1HB SER 3 2HB SER 3 1.300 -21.261 5.748 26 2HB SER 3 3HB SER 3 1.968 -20.094 6.911 27 HG SER 3 HG SER 3 0.145 -18.773 6.461 28 H GLU 4 H GLU 4 3.616 -17.727 3.786 29 HA GLU 4 HA GLU 4 3.442 -15.744 5.916 30 1HB GLU 4 2HB GLU 4 5.547 -16.487 4.618 31 2HB GLU 4 3HB GLU 4 4.963 -15.457 3.301 32 1HG GLU 4 2HG GLU 4 4.926 -13.533 4.970 33 2HG GLU 4 3HG GLU 4 5.645 -14.628 6.162 34 H GLN 5 H GLN 5 0.916 -15.891 5.045 35 HA GLN 5 HA GLN 5 0.432 -14.185 2.718 36 1HB GLN 5 2HB GLN 5 -1.578 -15.145 4.803 37 2HB GLN 5 3HB GLN 5 -1.914 -14.486 3.195 38 1HG GLN 5 2HG GLN 5 -0.677 -17.169 3.891 39 2HG GLN 5 3HG GLN 5 -2.168 -16.847 3.006 40 1HE2 GLN 5 1HE2 GLN 5 1.184 -17.438 2.724 41 2HE2 GLN 5 2HE2 GLN 5 1.436 -17.004 1.062 42 H LYS 6 H LYS 6 -0.178 -12.071 2.692 43 HA LYS 6 HA LYS 6 -0.273 -10.607 5.325 44 1HB LYS 6 2HB LYS 6 0.326 -8.651 4.241 45 2HB LYS 6 3HB LYS 6 1.481 -9.840 3.627 46 1HG LYS 6 2HG LYS 6 0.317 -9.986 1.489 47 2HG LYS 6 3HG LYS 6 -1.080 -9.111 2.084 48 1HD LYS 6 2HD LYS 6 -0.214 -7.420 1.081 49 2HD LYS 6 3HD LYS 6 0.543 -7.143 2.633 50 1HE LYS 6 2HE LYS 6 2.659 -8.050 1.875 51 2HE LYS 6 3HE LYS 6 1.905 -8.762 0.436 52 1HZ LYS 6 1HZ LYS 6 1.406 -6.622 -0.373 53 2HZ LYS 6 2HZ LYS 6 2.138 -5.875 0.903 54 3HZ LYS 6 3HZ LYS 6 3.040 -6.764 -0.161 55 H GLU 7 H GLU 7 -1.850 -8.667 5.096 56 HA GLU 7 HA GLU 7 -4.170 -9.173 3.318 57 1HB GLU 7 2HB GLU 7 -4.233 -7.886 6.085 58 2HB GLU 7 3HB GLU 7 -5.594 -8.290 5.040 59 1HG GLU 7 2HG GLU 7 -5.748 -10.162 6.323 60 2HG GLU 7 3HG GLU 7 -4.388 -10.789 5.390 61 H ILE 8 H ILE 8 -4.180 -7.485 1.839 62 HA ILE 8 HA ILE 8 -3.122 -4.827 2.740 63 HB ILE 8 HB ILE 8 -2.211 -6.199 0.619 64 1HG1 ILE 8 2HG1 ILE 8 -1.794 -3.804 -0.433 65 2HG1 ILE 8 3HG1 ILE 8 -2.449 -3.246 1.115 66 1HG2 ILE 8 1HG2 ILE 8 -4.407 -4.531 -0.634 67 2HG2 ILE 8 2HG2 ILE 8 -3.141 -5.450 -1.467 68 3HG2 ILE 8 3HG2 ILE 8 -4.359 -6.313 -0.515 69 1HD1 ILE 8 1HD1 ILE 8 -0.732 -4.770 2.234 70 2HD1 ILE 8 2HD1 ILE 8 -0.103 -5.109 0.601 71 3HD1 ILE 8 3HD1 ILE 8 -0.024 -3.463 1.254 72 H ALA 9 H ALA 9 -4.751 -3.407 3.234 73 HA ALA 9 HA ALA 9 -7.461 -3.843 2.050 74 1HB ALA 9 1HB ALA 9 -7.431 -4.128 4.480 75 2HB ALA 9 2HB ALA 9 -6.658 -2.538 4.676 76 3HB ALA 9 3HB ALA 9 -8.303 -2.656 4.016 77 H MET 10 H MET 10 -7.937 -2.337 0.529 78 HA MET 10 HA MET 10 -6.897 0.443 0.745 79 1HB MET 10 2HB MET 10 -6.234 -1.581 -1.428 80 2HB MET 10 3HB MET 10 -6.427 0.114 -1.864 81 1HG MET 10 2HG MET 10 -4.765 0.054 0.468 82 2HG MET 10 3HG MET 10 -4.111 -1.125 -0.656 83 1HE MET 10 1HE MET 10 -2.429 -0.327 -2.530 84 2HE MET 10 2HE MET 10 -4.026 -0.341 -3.331 85 3HE MET 10 3HE MET 10 -2.926 1.033 -3.573 86 H GLN 11 H GLN 11 -7.899 1.748 -1.211 87 HA GLN 11 HA GLN 11 -10.807 1.065 -1.253 88 1HB GLN 11 2HB GLN 11 -9.990 2.952 0.222 89 2HB GLN 11 3HB GLN 11 -9.564 3.831 -1.253 90 1HG GLN 11 2HG GLN 11 -12.281 2.819 -1.501 91 2HG GLN 11 3HG GLN 11 -12.115 3.654 0.048 92 1HE2 GLN 11 1HE2 GLN 11 -11.434 5.954 0.037 93 2HE2 GLN 11 2HE2 GLN 11 -11.784 6.876 -1.408 94 H VAL 12 H VAL 12 -11.565 0.692 -3.262 95 HA VAL 12 HA VAL 12 -10.082 1.735 -5.605 96 HB VAL 12 HB VAL 12 -10.026 -0.697 -5.333 97 1HG1 VAL 12 1HG1 VAL 12 -12.193 -1.052 -4.115 98 2HG1 VAL 12 2HG1 VAL 12 -13.065 -0.661 -5.610 99 3HG1 VAL 12 3HG1 VAL 12 -12.021 -2.088 -5.539 100 1HG2 VAL 12 1HG2 VAL 12 -10.768 -1.286 -7.551 101 2HG2 VAL 12 2HG2 VAL 12 -11.845 0.117 -7.618 102 3HG2 VAL 12 3HG2 VAL 12 -10.082 0.356 -7.582 103 H SER 13 H SER 13 -11.190 2.793 -7.210 104 HA SER 13 HA SER 13 -13.787 3.925 -6.433 105 1HB SER 13 2HB SER 13 -12.416 4.464 -9.048 106 2HB SER 13 3HB SER 13 -13.437 5.512 -8.053 107 HG SER 13 HG SER 13 -10.745 4.688 -7.540 108 H GLY 14 H GLY 14 -15.358 4.283 -8.369 109 1HA GLY 14 2HA GLY 14 -16.565 3.616 -10.195 110 2HA GLY 14 3HA GLY 14 -15.241 2.529 -10.648 111 H MET 15 H MET 15 -16.540 2.283 -7.469 112 HA MET 15 HA MET 15 -17.343 -0.460 -7.894 113 1HB MET 15 2HB MET 15 -17.588 1.406 -5.503 114 2HB MET 15 3HB MET 15 -18.128 -0.264 -5.522 115 1HG MET 15 2HG MET 15 -15.648 -0.736 -6.435 116 2HG MET 15 3HG MET 15 -15.336 0.824 -5.684 117 1HE MET 15 1HE MET 15 -16.664 -3.053 -3.558 118 2HE MET 15 2HE MET 15 -17.770 -2.163 -4.593 119 3HE MET 15 3HE MET 15 -16.301 -2.894 -5.288 120 H THR 16 H THR 16 -18.913 -0.113 -9.654 121 HA THR 16 HA THR 16 -21.469 0.927 -9.240 122 HB THR 16 HB THR 16 -20.824 -1.577 -10.829 123 HG1 THR 16 1HG THR 16 -20.157 -0.123 -12.418 124 1HG2 THR 16 1HG2 THR 16 -22.512 -0.663 -12.413 125 2HG2 THR 16 2HG2 THR 16 -23.220 -1.069 -10.846 126 3HG2 THR 16 3HG2 THR 16 -22.883 0.628 -11.252 127 H CYS 17 H CYS 17 -20.096 -1.876 -7.765 128 HA CYS 17 HA CYS 17 -20.810 -3.043 -5.966 129 1HB CYS 17 2HB CYS 17 -22.395 -1.350 -5.255 130 2HB CYS 17 3HB CYS 17 -23.651 -1.982 -6.349 131 HG CYS 17 HG CYS 17 -24.007 -4.212 -5.411 132 H ALA 18 H ALA 18 -21.442 -5.141 -5.666 133 HA ALA 18 HA ALA 18 -21.651 -7.308 -6.348 134 1HB ALA 18 1HB ALA 18 -24.352 -6.166 -7.150 135 2HB ALA 18 2HB ALA 18 -24.002 -7.855 -6.725 136 3HB ALA 18 3HB ALA 18 -23.843 -6.589 -5.498 137 H ALA 19 H ALA 19 -20.253 -5.969 -8.376 138 HA ALA 19 HA ALA 19 -20.558 -7.800 -10.598 139 1HB ALA 19 1HB ALA 19 -22.409 -6.314 -11.227 140 2HB ALA 19 2HB ALA 19 -21.392 -4.881 -10.999 141 3HB ALA 19 3HB ALA 19 -21.036 -6.028 -12.308 142 H CYS 20 H CYS 20 -19.498 -4.451 -9.928 143 HA CYS 20 HA CYS 20 -17.060 -4.587 -11.364 144 1HB CYS 20 2HB CYS 20 -18.183 -2.779 -9.178 145 2HB CYS 20 3HB CYS 20 -16.535 -2.548 -9.770 146 HG CYS 20 HG CYS 20 -17.128 -2.380 -12.293 147 H ALA 21 H ALA 21 -17.688 -4.642 -7.884 148 HA ALA 21 HA ALA 21 -15.316 -5.600 -6.798 149 1HB ALA 21 1HB ALA 21 -17.222 -5.131 -5.358 150 2HB ALA 21 2HB ALA 21 -18.255 -6.280 -6.230 151 3HB ALA 21 3HB ALA 21 -16.934 -6.880 -5.226 152 H ALA 22 H ALA 22 -18.002 -7.670 -7.995 153 HA ALA 22 HA ALA 22 -16.673 -10.103 -7.587 154 1HB ALA 22 1HB ALA 22 -18.319 -11.070 -9.139 155 2HB ALA 22 2HB ALA 22 -19.093 -9.908 -8.044 156 3HB ALA 22 3HB ALA 22 -18.749 -9.452 -9.728 157 H ARG 23 H ARG 23 -16.559 -7.936 -10.438 158 HA ARG 23 HA ARG 23 -15.057 -9.724 -12.075 159 1HB ARG 23 2HB ARG 23 -15.886 -6.835 -12.125 160 2HB ARG 23 3HB ARG 23 -14.384 -7.180 -12.959 161 1HG ARG 23 2HG ARG 23 -17.034 -8.599 -13.482 162 2HG ARG 23 3HG ARG 23 -16.300 -7.309 -14.453 163 1HD ARG 23 2HD ARG 23 -14.198 -9.008 -14.303 164 2HD ARG 23 3HD ARG 23 -15.494 -10.206 -14.214 165 HE ARG 23 HE ARG 23 -16.322 -8.669 -16.301 166 1HH1 ARG 23 2HH2 ARG 23 -13.246 -10.265 -15.644 167 2HH1 ARG 23 1HH2 ARG 23 -12.769 -10.393 -17.309 168 1HH2 ARG 23 2HH1 ARG 23 -15.717 -8.809 -18.526 169 2HH2 ARG 23 1HH1 ARG 23 -14.229 -9.563 -18.986 170 H ILE 24 H ILE 24 -14.098 -7.115 -9.756 171 HA ILE 24 HA ILE 24 -11.301 -7.359 -10.386 172 HB ILE 24 HB ILE 24 -12.755 -6.295 -7.945 173 1HG1 ILE 24 2HG1 ILE 24 -11.316 -4.865 -10.255 174 2HG1 ILE 24 3HG1 ILE 24 -13.056 -5.136 -10.255 175 1HG2 ILE 24 1HG2 ILE 24 -10.513 -7.002 -7.349 176 2HG2 ILE 24 2HG2 ILE 24 -9.851 -6.006 -8.675 177 3HG2 ILE 24 3HG2 ILE 24 -10.696 -5.255 -7.295 178 1HD1 ILE 24 1HD1 ILE 24 -12.653 -2.911 -9.518 179 2HD1 ILE 24 2HD1 ILE 24 -13.261 -3.841 -8.140 180 3HD1 ILE 24 3HD1 ILE 24 -11.518 -3.440 -8.277 181 H GLU 25 H GLU 25 -13.290 -8.676 -7.595 182 HA GLU 25 HA GLU 25 -11.200 -10.141 -6.532 183 1HB GLU 25 2HB GLU 25 -14.128 -10.987 -6.493 184 2HB GLU 25 3HB GLU 25 -12.853 -11.372 -5.325 185 1HG GLU 25 2HG GLU 25 -14.329 -8.770 -5.697 186 2HG GLU 25 3HG GLU 25 -14.037 -9.694 -4.255 187 H LYS 26 H LYS 26 -13.499 -11.197 -9.117 188 HA LYS 26 HA LYS 26 -12.462 -13.815 -9.333 189 1HB LYS 26 2HB LYS 26 -14.609 -12.900 -10.366 190 2HB LYS 26 3HB LYS 26 -13.582 -12.227 -11.654 191 1HG LYS 26 2HG LYS 26 -12.578 -14.658 -11.667 192 2HG LYS 26 3HG LYS 26 -14.045 -15.118 -10.814 193 1HD LYS 26 2HD LYS 26 -13.861 -13.819 -13.580 194 2HD LYS 26 3HD LYS 26 -14.154 -15.526 -13.242 195 1HE LYS 26 2HE LYS 26 -16.169 -14.272 -11.750 196 2HE LYS 26 3HE LYS 26 -16.025 -13.208 -13.152 197 1HZ LYS 26 1HZ LYS 26 -16.351 -15.188 -14.545 198 2HZ LYS 26 2HZ LYS 26 -16.544 -16.112 -13.194 199 3HZ LYS 26 3HZ LYS 26 -17.622 -14.926 -13.537 200 H GLY 27 H GLY 27 -11.584 -10.783 -11.068 201 1HA GLY 27 2HA GLY 27 -9.629 -11.855 -12.812 202 2HA GLY 27 3HA GLY 27 -9.720 -10.181 -12.232 203 H LEU 28 H LEU 28 -9.366 -10.567 -9.486 204 HA LEU 28 HA LEU 28 -6.502 -10.898 -9.348 205 1HB LEU 28 2HB LEU 28 -8.694 -10.149 -7.409 206 2HB LEU 28 3HB LEU 28 -7.110 -10.594 -6.792 207 HG LEU 28 HG LEU 28 -7.414 -8.100 -7.116 208 1HD1 LEU 28 1HD1 LEU 28 -5.177 -9.215 -8.848 209 2HD1 LEU 28 2HD1 LEU 28 -5.236 -7.717 -7.907 210 3HD1 LEU 28 3HD1 LEU 28 -5.180 -9.285 -7.077 211 1HD2 LEU 28 1HD2 LEU 28 -7.389 -8.695 -10.077 212 2HD2 LEU 28 2HD2 LEU 28 -8.715 -8.004 -9.132 213 3HD2 LEU 28 3HD2 LEU 28 -7.214 -7.108 -9.304 214 H LYS 29 H LYS 29 -9.277 -12.915 -8.261 215 HA LYS 29 HA LYS 29 -7.753 -14.944 -7.045 216 1HB LYS 29 2HB LYS 29 -10.514 -14.633 -7.797 217 2HB LYS 29 3HB LYS 29 -9.954 -16.096 -8.557 218 1HG LYS 29 2HG LYS 29 -10.665 -16.922 -6.539 219 2HG LYS 29 3HG LYS 29 -8.951 -16.714 -6.241 220 1HD LYS 29 2HD LYS 29 -9.989 -15.885 -4.311 221 2HD LYS 29 3HD LYS 29 -9.556 -14.413 -5.201 222 1HE LYS 29 2HE LYS 29 -11.880 -14.132 -5.957 223 2HE LYS 29 3HE LYS 29 -12.310 -15.745 -5.371 224 1HZ LYS 29 1HZ LYS 29 -11.884 -14.900 -3.087 225 2HZ LYS 29 2HZ LYS 29 -11.738 -13.379 -3.694 226 3HZ LYS 29 3HZ LYS 29 -13.125 -14.172 -3.862 227 H ARG 30 H ARG 30 -7.921 -14.128 -10.428 228 HA ARG 30 HA ARG 30 -7.122 -16.590 -11.569 229 1HB ARG 30 2HB ARG 30 -7.823 -14.254 -12.614 230 2HB ARG 30 3HB ARG 30 -6.103 -13.907 -12.497 231 1HG ARG 30 2HG ARG 30 -6.170 -14.660 -14.613 232 2HG ARG 30 3HG ARG 30 -5.853 -16.209 -13.837 233 1HD ARG 30 2HD ARG 30 -8.632 -15.140 -14.563 234 2HD ARG 30 3HD ARG 30 -7.643 -16.137 -15.649 235 HE ARG 30 HE ARG 30 -7.794 -17.566 -13.256 236 1HH1 ARG 30 2HH2 ARG 30 -10.000 -16.418 -15.745 237 2HH1 ARG 30 1HH2 ARG 30 -11.075 -17.780 -15.671 238 1HH2 ARG 30 2HH1 ARG 30 -9.202 -19.407 -13.112 239 2HH2 ARG 30 1HH1 ARG 30 -10.606 -19.520 -14.120 240 H MET 31 H MET 31 -5.306 -14.299 -9.582 241 HA MET 31 HA MET 31 -2.685 -15.102 -10.576 242 1HB MET 31 2HB MET 31 -3.581 -13.470 -8.188 243 2HB MET 31 3HB MET 31 -1.899 -13.620 -8.679 244 1HG MET 31 2HG MET 31 -3.835 -12.615 -10.758 245 2HG MET 31 3HG MET 31 -3.503 -11.588 -9.376 246 1HE MET 31 1HE MET 31 -0.331 -12.757 -12.527 247 2HE MET 31 2HE MET 31 -0.894 -13.971 -11.372 248 3HE MET 31 3HE MET 31 -2.031 -13.288 -12.562 249 HA PRO 32 HA PRO 32 -2.271 -18.563 -7.897 250 1HB PRO 32 2HB PRO 32 0.436 -18.836 -7.599 251 2HB PRO 32 3HB PRO 32 -0.419 -19.124 -9.141 252 1HG PRO 32 2HG PRO 32 1.038 -16.617 -8.278 253 2HG PRO 32 3HG PRO 32 1.172 -17.479 -9.834 254 1HD PRO 32 2HD PRO 32 -0.432 -15.299 -9.516 255 2HD PRO 32 3HD PRO 32 -0.921 -16.663 -10.572 256 H GLY 33 H GLY 33 -0.324 -15.644 -6.762 257 1HA GLY 33 2HA GLY 33 -0.006 -16.741 -4.132 258 2HA GLY 33 3HA GLY 33 0.355 -15.101 -4.699 259 H VAL 34 H VAL 34 -2.638 -15.143 -5.746 260 HA VAL 34 HA VAL 34 -3.738 -13.726 -3.475 261 HB VAL 34 HB VAL 34 -4.856 -14.547 -6.158 262 1HG1 VAL 34 1HG1 VAL 34 -6.825 -13.123 -5.557 263 2HG1 VAL 34 2HG1 VAL 34 -6.770 -14.628 -4.641 264 3HG1 VAL 34 3HG1 VAL 34 -6.269 -13.108 -3.868 265 1HG2 VAL 34 1HG2 VAL 34 -3.214 -12.637 -6.012 266 2HG2 VAL 34 2HG2 VAL 34 -4.830 -12.088 -6.490 267 3HG2 VAL 34 3HG2 VAL 34 -4.273 -11.847 -4.829 268 H THR 35 H THR 35 -4.123 -14.759 -1.671 269 HA THR 35 HA THR 35 -4.964 -17.559 -1.697 270 HB THR 35 HB THR 35 -4.309 -15.625 0.540 271 HG1 THR 35 1HG THR 35 -2.398 -16.437 -0.105 272 1HG2 THR 35 1HG2 THR 35 -5.992 -17.168 1.420 273 2HG2 THR 35 2HG2 THR 35 -5.151 -18.550 0.676 274 3HG2 THR 35 3HG2 THR 35 -4.389 -17.647 2.001 275 H ASP 36 H ASP 36 -6.223 -14.307 -0.741 276 HA ASP 36 HA ASP 36 -8.912 -15.211 -1.469 277 1HB ASP 36 2HB ASP 36 -8.732 -15.869 0.925 278 2HB ASP 36 3HB ASP 36 -8.380 -14.193 1.348 279 H ALA 37 H ALA 37 -9.843 -13.602 -2.508 280 HA ALA 37 HA ALA 37 -8.963 -10.762 -2.128 281 1HB ALA 37 1HB ALA 37 -8.277 -11.671 -4.349 282 2HB ALA 37 2HB ALA 37 -9.983 -12.005 -4.712 283 3HB ALA 37 3HB ALA 37 -9.432 -10.338 -4.446 284 H ASN 38 H ASN 38 -10.557 -9.839 -0.903 285 HA ASN 38 HA ASN 38 -13.364 -10.136 -1.820 286 1HB ASN 38 2HB ASN 38 -12.199 -10.580 0.932 287 2HB ASN 38 3HB ASN 38 -13.706 -9.673 0.835 288 1HD2 ASN 38 1HD2 ASN 38 -12.218 -12.920 -0.043 289 2HD2 ASN 38 2HD2 ASN 38 -13.774 -13.630 -0.179 290 H VAL 39 H VAL 39 -14.728 -8.300 -0.876 291 HA VAL 39 HA VAL 39 -13.266 -5.802 -0.457 292 HB VAL 39 HB VAL 39 -13.142 -5.890 -2.814 293 1HG1 VAL 39 1HG1 VAL 39 -14.964 -6.099 -4.320 294 2HG1 VAL 39 2HG1 VAL 39 -14.927 -7.539 -3.302 295 3HG1 VAL 39 3HG1 VAL 39 -16.144 -6.278 -2.999 296 1HG2 VAL 39 1HG2 VAL 39 -15.436 -4.043 -2.050 297 2HG2 VAL 39 2HG2 VAL 39 -13.730 -3.681 -1.802 298 3HG2 VAL 39 3HG2 VAL 39 -14.347 -3.866 -3.446 299 H ASN 40 H ASN 40 -14.160 -4.786 1.080 300 HA ASN 40 HA ASN 40 -17.002 -5.280 1.836 301 1HB ASN 40 2HB ASN 40 -14.587 -4.135 3.228 302 2HB ASN 40 3HB ASN 40 -16.186 -3.553 3.702 303 1HD2 ASN 40 1HD2 ASN 40 -17.723 -4.915 4.692 304 2HD2 ASN 40 2HD2 ASN 40 -17.239 -6.479 5.314 305 H LEU 41 H LEU 41 -17.648 -4.374 -0.218 306 HA LEU 41 HA LEU 41 -17.343 -1.711 -1.003 307 1HB LEU 41 2HB LEU 41 -19.140 -1.997 -2.415 308 2HB LEU 41 3HB LEU 41 -18.514 -3.628 -2.204 309 HG LEU 41 HG LEU 41 -20.447 -3.577 -0.273 310 1HD1 LEU 41 1HD1 LEU 41 -21.183 -1.245 -0.906 311 2HD1 LEU 41 2HD1 LEU 41 -21.499 -1.823 -2.549 312 3HD1 LEU 41 3HD1 LEU 41 -22.449 -2.446 -1.189 313 1HD2 LEU 41 1HD2 LEU 41 -20.791 -4.191 -3.227 314 2HD2 LEU 41 2HD2 LEU 41 -20.236 -5.305 -1.960 315 3HD2 LEU 41 3HD2 LEU 41 -21.907 -4.715 -1.943 316 H ALA 42 H ALA 42 -19.194 -2.961 1.638 317 HA ALA 42 HA ALA 42 -20.934 -0.830 2.142 318 1HB ALA 42 1HB ALA 42 -21.076 -3.034 3.272 319 2HB ALA 42 2HB ALA 42 -19.556 -2.699 4.135 320 3HB ALA 42 3HB ALA 42 -21.001 -1.723 4.467 321 H THR 43 H THR 43 -17.481 -1.137 2.768 322 HA THR 43 HA THR 43 -17.431 1.631 3.913 323 HB THR 43 HB THR 43 -15.463 0.967 5.135 324 HG1 THR 43 1HG THR 43 -15.821 -1.516 3.782 325 1HG2 THR 43 1HG2 THR 43 -17.431 -1.322 5.565 326 2HG2 THR 43 2HG2 THR 43 -16.461 -0.446 6.761 327 3HG2 THR 43 3HG2 THR 43 -17.840 0.351 5.965 328 H GLU 44 H GLU 44 -17.220 0.206 1.066 329 HA GLU 44 HA GLU 44 -15.881 0.124 -0.760 330 1HB GLU 44 2HB GLU 44 -15.294 2.964 0.161 331 2HB GLU 44 3HB GLU 44 -14.984 2.327 -1.460 332 1HG GLU 44 2HG GLU 44 -17.375 1.877 -1.787 333 2HG GLU 44 3HG GLU 44 -17.743 2.455 -0.153 334 H THR 45 H THR 45 -14.567 -1.515 0.824 335 HA THR 45 HA THR 45 -11.756 -0.588 0.714 336 HB THR 45 HB THR 45 -13.062 -2.211 2.920 337 HG1 THR 45 1HG THR 45 -13.689 -0.387 3.648 338 1HG2 THR 45 1HG2 THR 45 -10.363 -0.792 2.715 339 2HG2 THR 45 2HG2 THR 45 -10.968 -1.806 4.050 340 3HG2 THR 45 3HG2 THR 45 -10.658 -2.527 2.450 341 H VAL 46 H VAL 46 -10.842 -1.830 -0.870 342 HA VAL 46 HA VAL 46 -11.735 -4.593 -1.347 343 HB VAL 46 HB VAL 46 -11.312 -3.145 -3.276 344 1HG1 VAL 46 1HG1 VAL 46 -9.037 -2.523 -3.958 345 2HG1 VAL 46 2HG1 VAL 46 -9.491 -1.683 -2.482 346 3HG1 VAL 46 3HG1 VAL 46 -8.380 -3.074 -2.416 347 1HG2 VAL 46 1HG2 VAL 46 -11.012 -5.566 -3.466 348 2HG2 VAL 46 2HG2 VAL 46 -9.876 -4.703 -4.511 349 3HG2 VAL 46 3HG2 VAL 46 -9.314 -5.407 -2.981 350 H ASN 47 H ASN 47 -10.724 -6.276 -0.404 351 HA ASN 47 HA ASN 47 -8.292 -5.725 1.187 352 1HB ASN 47 2HB ASN 47 -9.279 -7.170 2.966 353 2HB ASN 47 3HB ASN 47 -9.964 -5.556 2.777 354 1HD2 ASN 47 1HD2 ASN 47 -12.129 -5.319 1.726 355 2HD2 ASN 47 2HD2 ASN 47 -13.226 -6.665 2.034 356 H VAL 48 H VAL 48 -6.763 -6.899 0.261 357 HA VAL 48 HA VAL 48 -7.491 -9.541 -0.936 358 HB VAL 48 HB VAL 48 -5.255 -7.806 -1.984 359 1HG1 VAL 48 1HG1 VAL 48 -5.609 -9.152 -3.998 360 2HG1 VAL 48 2HG1 VAL 48 -5.381 -10.238 -2.617 361 3HG1 VAL 48 3HG1 VAL 48 -7.005 -9.944 -3.263 362 1HG2 VAL 48 1HG2 VAL 48 -8.190 -7.727 -2.813 363 2HG2 VAL 48 2HG2 VAL 48 -7.213 -6.370 -2.201 364 3HG2 VAL 48 3HG2 VAL 48 -6.851 -7.072 -3.778 365 H ILE 49 H ILE 49 -6.471 -11.222 -0.184 366 HA ILE 49 HA ILE 49 -4.182 -10.929 1.637 367 HB ILE 49 HB ILE 49 -6.401 -13.000 1.484 368 1HG1 ILE 49 2HG1 ILE 49 -5.774 -10.940 3.635 369 2HG1 ILE 49 3HG1 ILE 49 -7.031 -10.742 2.419 370 1HG2 ILE 49 1HG2 ILE 49 -4.213 -12.882 3.597 371 2HG2 ILE 49 2HG2 ILE 49 -5.456 -14.120 3.387 372 3HG2 ILE 49 3HG2 ILE 49 -4.154 -13.982 2.217 373 1HD1 ILE 49 1HD1 ILE 49 -8.013 -11.462 4.497 374 2HD1 ILE 49 2HD1 ILE 49 -8.228 -12.708 3.253 375 3HD1 ILE 49 3HD1 ILE 49 -7.007 -12.919 4.535 376 H TYR 50 H TYR 50 -2.282 -11.816 0.904 377 HA TYR 50 HA TYR 50 -2.305 -14.028 -0.944 378 1HB TYR 50 2HB TYR 50 -1.202 -12.708 -2.823 379 2HB TYR 50 3HB TYR 50 -2.834 -12.139 -2.483 380 HD1 TYR 50 HD1 TYR 50 -3.310 -10.035 -1.444 381 HD2 TYR 50 HD2 TYR 50 0.725 -11.237 -2.340 382 HE1 TYR 50 HE1 TYR 50 -2.562 -7.735 -1.093 383 HE2 TYR 50 HE2 TYR 50 1.490 -8.908 -2.013 384 HH TYR 50 HH TYR 50 -0.791 -6.269 -1.290 385 H ASP 51 H ASP 51 -0.012 -14.478 -1.776 386 HA ASP 51 HA ASP 51 1.787 -14.274 0.541 387 1HB ASP 51 2HB ASP 51 1.350 -16.356 -0.932 388 2HB ASP 51 3HB ASP 51 2.427 -15.607 -2.084 389 HA PRO 52 HA PRO 52 3.666 -10.719 -1.528 390 1HB PRO 52 2HB PRO 52 5.538 -9.970 0.328 391 2HB PRO 52 3HB PRO 52 3.800 -9.947 0.712 392 1HG PRO 52 2HG PRO 52 5.746 -12.189 1.325 393 2HG PRO 52 3HG PRO 52 4.672 -11.344 2.477 394 1HD PRO 52 2HD PRO 52 3.950 -13.676 1.285 395 2HD PRO 52 3HD PRO 52 2.742 -12.376 1.567 396 H ALA 53 H ALA 53 4.428 -13.208 -2.536 397 HA ALA 53 HA ALA 53 7.150 -12.632 -3.563 398 1HB ALA 53 1HB ALA 53 7.908 -14.950 -3.128 399 2HB ALA 53 2HB ALA 53 7.593 -14.081 -1.611 400 3HB ALA 53 3HB ALA 53 6.424 -15.275 -2.211 401 H GLU 54 H GLU 54 4.374 -14.886 -3.490 402 HA GLU 54 HA GLU 54 4.753 -15.908 -6.108 403 1HB GLU 54 2HB GLU 54 2.401 -15.880 -4.206 404 2HB GLU 54 3HB GLU 54 2.601 -17.007 -5.555 405 1HG GLU 54 2HG GLU 54 4.754 -17.837 -4.536 406 2HG GLU 54 3HG GLU 54 4.485 -16.834 -3.112 407 H THR 55 H THR 55 3.209 -12.892 -4.970 408 HA THR 55 HA THR 55 2.331 -12.386 -7.704 409 HB THR 55 HB THR 55 0.679 -12.500 -5.152 410 HG1 THR 55 1HG THR 55 1.052 -14.079 -7.214 411 1HG2 THR 55 1HG2 THR 55 0.076 -10.363 -6.099 412 2HG2 THR 55 2HG2 THR 55 0.385 -11.039 -7.708 413 3HG2 THR 55 3HG2 THR 55 -1.062 -11.548 -6.764 414 H GLY 56 H GLY 56 1.718 -10.529 -4.690 415 1HA GLY 56 2HA GLY 56 3.379 -9.050 -3.752 416 2HA GLY 56 3HA GLY 56 4.026 -8.736 -5.363 417 H THR 57 H THR 57 2.640 -7.128 -3.172 418 HA THR 57 HA THR 57 0.253 -5.986 -3.618 419 HB THR 57 HB THR 57 1.657 -5.208 -1.876 420 HG1 THR 57 1HG THR 57 1.525 -2.780 -2.577 421 1HG2 THR 57 1HG2 THR 57 3.363 -3.648 -3.825 422 2HG2 THR 57 2HG2 THR 57 3.544 -3.827 -2.076 423 3HG2 THR 57 3HG2 THR 57 3.813 -5.229 -3.132 424 H ALA 58 H ALA 58 3.086 -5.177 -5.564 425 HA ALA 58 HA ALA 58 1.802 -3.031 -6.995 426 1HB ALA 58 1HB ALA 58 4.232 -4.719 -7.761 427 2HB ALA 58 2HB ALA 58 3.757 -3.169 -8.491 428 3HB ALA 58 3HB ALA 58 4.256 -3.228 -6.790 429 H ALA 59 H ALA 59 1.987 -6.580 -7.516 430 HA ALA 59 HA ALA 59 0.928 -6.447 -10.217 431 1HB ALA 59 1HB ALA 59 1.019 -8.723 -8.259 432 2HB ALA 59 2HB ALA 59 0.655 -8.790 -10.003 433 3HB ALA 59 3HB ALA 59 2.282 -8.301 -9.450 434 H ILE 60 H ILE 60 -0.306 -6.713 -6.890 435 HA ILE 60 HA ILE 60 -2.992 -7.468 -7.524 436 HB ILE 60 HB ILE 60 -2.241 -5.666 -5.197 437 1HG1 ILE 60 2HG1 ILE 60 -0.695 -7.664 -5.187 438 2HG1 ILE 60 3HG1 ILE 60 -1.708 -7.397 -3.792 439 1HG2 ILE 60 1HG2 ILE 60 -4.418 -7.720 -5.551 440 2HG2 ILE 60 2HG2 ILE 60 -4.063 -6.832 -4.058 441 3HG2 ILE 60 3HG2 ILE 60 -4.615 -5.956 -5.503 442 1HD1 ILE 60 1HD1 ILE 60 -2.383 -9.405 -5.962 443 2HD1 ILE 60 2HD1 ILE 60 -1.478 -9.765 -4.471 444 3HD1 ILE 60 3HD1 ILE 60 -3.150 -9.219 -4.357 445 H GLN 61 H GLN 61 -1.493 -4.285 -6.785 446 HA GLN 61 HA GLN 61 -3.825 -2.818 -7.479 447 1HB GLN 61 2HB GLN 61 -2.729 -0.920 -6.912 448 2HB GLN 61 3HB GLN 61 -1.852 -2.140 -5.996 449 1HG GLN 61 2HG GLN 61 -0.124 -0.842 -6.772 450 2HG GLN 61 3HG GLN 61 -0.167 -2.076 -8.026 451 1HE2 GLN 61 1HE2 GLN 61 -1.240 1.273 -7.254 452 2HE2 GLN 61 2HE2 GLN 61 -1.401 1.699 -8.952 453 H GLU 62 H GLU 62 -0.997 -3.859 -9.452 454 HA GLU 62 HA GLU 62 -1.598 -2.416 -11.816 455 1HB GLU 62 2HB GLU 62 0.453 -3.606 -11.715 456 2HB GLU 62 3HB GLU 62 -0.364 -5.062 -11.140 457 1HG GLU 62 2HG GLU 62 0.363 -5.633 -13.230 458 2HG GLU 62 3HG GLU 62 -1.372 -5.385 -13.416 459 H LYS 63 H LYS 63 -3.025 -5.513 -10.458 460 HA LYS 63 HA LYS 63 -4.362 -5.985 -12.929 461 1HB LYS 63 2HB LYS 63 -3.594 -7.640 -11.071 462 2HB LYS 63 3HB LYS 63 -5.016 -7.122 -10.188 463 1HG LYS 63 2HG LYS 63 -5.495 -9.167 -11.404 464 2HG LYS 63 3HG LYS 63 -6.472 -7.831 -12.014 465 1HD LYS 63 2HD LYS 63 -5.527 -9.395 -13.779 466 2HD LYS 63 3HD LYS 63 -5.281 -7.680 -14.052 467 1HE LYS 63 2HE LYS 63 -3.257 -9.042 -14.564 468 2HE LYS 63 3HE LYS 63 -2.954 -7.792 -13.355 469 1HZ LYS 63 1HZ LYS 63 -1.985 -9.891 -12.687 470 2HZ LYS 63 2HZ LYS 63 -3.161 -9.473 -11.646 471 3HZ LYS 63 3HZ LYS 63 -3.436 -10.644 -12.754 472 H ILE 64 H ILE 64 -5.260 -4.440 -9.800 473 HA ILE 64 HA ILE 64 -8.031 -4.077 -10.391 474 HB ILE 64 HB ILE 64 -6.103 -2.289 -8.831 475 1HG1 ILE 64 2HG1 ILE 64 -8.219 -4.288 -7.874 476 2HG1 ILE 64 3HG1 ILE 64 -6.509 -4.697 -8.010 477 1HG2 ILE 64 1HG2 ILE 64 -7.994 -0.960 -9.537 478 2HG2 ILE 64 2HG2 ILE 64 -9.128 -2.248 -9.062 479 3HG2 ILE 64 3HG2 ILE 64 -8.205 -1.351 -7.839 480 1HD1 ILE 64 1HD1 ILE 64 -5.950 -2.890 -6.387 481 2HD1 ILE 64 2HD1 ILE 64 -7.689 -2.617 -6.133 482 3HD1 ILE 64 3HD1 ILE 64 -6.972 -4.178 -5.725 483 H GLU 65 H GLU 65 -5.144 -2.032 -11.222 484 HA GLU 65 HA GLU 65 -6.779 -0.173 -12.656 485 1HB GLU 65 2HB GLU 65 -3.787 -0.653 -12.933 486 2HB GLU 65 3HB GLU 65 -4.717 0.699 -13.608 487 1HG GLU 65 2HG GLU 65 -5.558 1.156 -11.214 488 2HG GLU 65 3HG GLU 65 -4.307 0.035 -10.660 489 H LYS 66 H LYS 66 -4.932 -2.969 -13.860 490 HA LYS 66 HA LYS 66 -5.754 -2.625 -16.561 491 1HB LYS 66 2HB LYS 66 -4.763 -5.068 -15.104 492 2HB LYS 66 3HB LYS 66 -5.056 -4.972 -16.858 493 1HG LYS 66 2HG LYS 66 -3.564 -2.773 -16.690 494 2HG LYS 66 3HG LYS 66 -2.963 -3.498 -15.217 495 1HD LYS 66 2HD LYS 66 -2.863 -4.643 -18.042 496 2HD LYS 66 3HD LYS 66 -1.546 -3.936 -17.081 497 1HE LYS 66 2HE LYS 66 -2.228 -5.885 -15.379 498 2HE LYS 66 3HE LYS 66 -2.832 -6.658 -16.849 499 1HZ LYS 66 1HZ LYS 66 -0.497 -7.197 -16.375 500 2HZ LYS 66 2HZ LYS 66 -0.582 -6.326 -17.781 501 3HZ LYS 66 3HZ LYS 66 -0.120 -5.608 -16.376 502 H LEU 67 H LEU 67 -7.573 -4.054 -13.834 503 HA LEU 67 HA LEU 67 -9.610 -5.193 -15.564 504 1HB LEU 67 2HB LEU 67 -9.193 -4.628 -12.637 505 2HB LEU 67 3HB LEU 67 -10.822 -4.860 -13.183 506 HG LEU 67 HG LEU 67 -9.362 -6.827 -12.279 507 1HD1 LEU 67 1HD1 LEU 67 -11.289 -7.078 -14.631 508 2HD1 LEU 67 2HD1 LEU 67 -10.872 -8.387 -13.503 509 3HD1 LEU 67 3HD1 LEU 67 -11.733 -6.957 -12.915 510 1HD2 LEU 67 1HD2 LEU 67 -8.835 -7.236 -15.249 511 2HD2 LEU 67 2HD2 LEU 67 -7.601 -6.730 -14.084 512 3HD2 LEU 67 3HD2 LEU 67 -8.404 -8.292 -13.902 513 H GLY 68 H GLY 68 -8.723 -1.968 -15.070 514 1HA GLY 68 2HA GLY 68 -9.700 -0.218 -16.203 515 2HA GLY 68 3HA GLY 68 -11.219 -1.108 -16.379 516 H TYR 69 H TYR 69 -9.228 -0.393 -13.493 517 HA TYR 69 HA TYR 69 -11.359 1.379 -12.382 518 1HB TYR 69 2HB TYR 69 -9.974 -0.895 -10.919 519 2HB TYR 69 3HB TYR 69 -11.045 0.287 -10.174 520 HD1 TYR 69 HD1 TYR 69 -10.869 -2.662 -12.350 521 HD2 TYR 69 HD2 TYR 69 -13.469 0.329 -10.685 522 HE1 TYR 69 HE1 TYR 69 -12.858 -3.965 -13.095 523 HE2 TYR 69 HE2 TYR 69 -15.439 -0.984 -11.370 524 HH TYR 69 HH TYR 69 -15.094 -4.053 -13.203 525 H HIS 70 H HIS 70 -10.365 2.325 -10.194 526 HA HIS 70 HA HIS 70 -7.524 2.997 -10.561 527 1HB HIS 70 2HB HIS 70 -9.466 4.685 -11.581 528 2HB HIS 70 3HB HIS 70 -9.362 5.301 -9.937 529 HD1 HIS 70 1HD HIS 70 -8.356 6.625 -12.831 530 HD2 HIS 70 2HD HIS 70 -6.077 5.068 -9.650 531 HE1 HIS 70 1HE HIS 70 -6.065 7.738 -12.957 532 H VAL 71 H VAL 71 -6.535 2.976 -8.605 533 HA VAL 71 HA VAL 71 -8.159 2.549 -6.187 534 HB VAL 71 HB VAL 71 -6.000 2.067 -5.141 535 1HG1 VAL 71 1HG1 VAL 71 -7.356 0.283 -6.140 536 2HG1 VAL 71 2HG1 VAL 71 -6.500 0.486 -7.687 537 3HG1 VAL 71 3HG1 VAL 71 -5.623 -0.075 -6.250 538 1HG2 VAL 71 1HG2 VAL 71 -3.960 1.773 -6.435 539 2HG2 VAL 71 2HG2 VAL 71 -4.755 2.296 -7.925 540 3HG2 VAL 71 3HG2 VAL 71 -4.482 3.450 -6.606 541 H VAL 72 H VAL 72 -8.347 4.005 -4.518 542 HA VAL 72 HA VAL 72 -7.619 6.794 -5.194 543 HB VAL 72 HB VAL 72 -9.246 5.618 -2.913 544 1HG1 VAL 72 1HG1 VAL 72 -8.389 7.884 -2.315 545 2HG1 VAL 72 2HG1 VAL 72 -8.941 8.500 -3.887 546 3HG1 VAL 72 3HG1 VAL 72 -10.111 7.939 -2.676 547 1HG2 VAL 72 1HG2 VAL 72 -9.959 6.808 -5.630 548 2HG2 VAL 72 2HG2 VAL 72 -10.378 5.199 -5.000 549 3HG2 VAL 72 3HG2 VAL 72 -11.136 6.650 -4.327 550 H THR 73 H THR 73 -5.351 5.996 -5.156 551 HA THR 73 HA THR 73 -4.161 5.996 -2.409 552 HB THR 73 HB THR 73 -3.038 4.540 -4.836 553 HG1 THR 73 1HG THR 73 -5.215 3.809 -4.173 554 1HG2 THR 73 1HG2 THR 73 -1.607 4.957 -2.769 555 2HG2 THR 73 2HG2 THR 73 -2.838 4.015 -1.856 556 3HG2 THR 73 3HG2 THR 73 -1.870 3.240 -3.123 557 H GLU 74 H GLU 74 -2.401 7.419 -2.154 558 HA GLU 74 HA GLU 74 -1.665 9.058 -4.558 559 1HB GLU 74 2HB GLU 74 -2.433 9.903 -1.746 560 2HB GLU 74 3HB GLU 74 -1.360 10.896 -2.736 561 1HG GLU 74 2HG GLU 74 -4.105 9.996 -3.691 562 2HG GLU 74 3HG GLU 74 -3.779 11.547 -2.891 563 H LYS 75 H LYS 75 0.403 9.563 -4.769 564 HA LYS 75 HA LYS 75 2.446 8.267 -3.045 565 1HB LYS 75 2HB LYS 75 3.870 8.379 -4.755 566 2HB LYS 75 3HB LYS 75 2.379 8.340 -5.696 567 1HG LYS 75 2HG LYS 75 2.496 10.843 -5.828 568 2HG LYS 75 3HG LYS 75 4.098 10.735 -5.029 569 1HD LYS 75 2HD LYS 75 4.756 9.110 -6.921 570 2HD LYS 75 3HD LYS 75 3.294 9.649 -7.750 571 1HE LYS 75 2HE LYS 75 5.822 11.180 -7.066 572 2HE LYS 75 3HE LYS 75 4.954 11.098 -8.610 573 1HZ LYS 75 1HZ LYS 75 4.594 13.220 -7.669 574 2HZ LYS 75 2HZ LYS 75 3.182 12.422 -7.341 575 3HZ LYS 75 3HZ LYS 75 4.344 12.631 -6.176 576 H ALA 76 H ALA 76 2.550 9.299 -1.207 577 HA ALA 76 HA ALA 76 2.696 12.310 -1.206 578 1HB ALA 76 1HB ALA 76 1.111 11.271 0.348 579 2HB ALA 76 2HB ALA 76 2.444 10.369 1.103 580 3HB ALA 76 3HB ALA 76 2.408 12.151 1.181 581 H GLU 77 H GLU 77 4.715 13.181 -1.364 582 HA GLU 77 HA GLU 77 7.047 11.588 -0.863 583 1HB GLU 77 2HB GLU 77 6.697 14.549 -1.532 584 2HB GLU 77 3HB GLU 77 8.220 13.656 -1.536 585 1HG GLU 77 2HG GLU 77 7.585 13.716 -3.793 586 2HG GLU 77 3HG GLU 77 7.172 12.081 -3.279 587 H PHE 78 H PHE 78 7.386 11.023 1.214 588 HA PHE 78 HA PHE 78 7.298 13.023 3.403 589 1HB PHE 78 2HB PHE 78 7.335 10.043 3.275 590 2HB PHE 78 3HB PHE 78 7.954 10.872 4.699 591 HD1 PHE 78 1HD PHE 78 6.435 11.015 6.468 592 HD2 PHE 78 2HD PHE 78 4.920 11.262 2.444 593 HE1 PHE 78 1HE PHE 78 4.135 10.907 7.334 594 HE2 PHE 78 2HE PHE 78 2.612 11.302 3.337 595 HZ PHE 78 HZ PHE 78 2.212 11.096 5.757 596 H ASP 79 H ASP 79 9.056 13.170 4.819 597 HA ASP 79 HA ASP 79 11.763 13.026 3.560 598 1HB ASP 79 2HB ASP 79 10.880 15.263 3.608 599 2HB ASP 79 3HB ASP 79 10.455 15.148 5.303 600 H ILE 80 H ILE 80 13.488 12.428 5.084 601 HA ILE 80 HA ILE 80 12.510 11.040 7.562 602 HB ILE 80 HB ILE 80 14.705 10.150 5.681 603 1HG1 ILE 80 2HG1 ILE 80 11.989 8.805 5.783 604 2HG1 ILE 80 3HG1 ILE 80 12.300 10.095 4.610 605 1HG2 ILE 80 1HG2 ILE 80 13.181 8.796 7.957 606 2HG2 ILE 80 2HG2 ILE 80 14.395 7.988 6.955 607 3HG2 ILE 80 3HG2 ILE 80 14.875 9.329 7.990 608 1HD1 ILE 80 1HD1 ILE 80 12.730 7.941 3.654 609 2HD1 ILE 80 2HD1 ILE 80 14.154 9.004 3.653 610 3HD1 ILE 80 3HD1 ILE 80 14.051 7.672 4.813 611 H GLU 81 H GLU 81 13.795 11.552 9.488 612 HA GLU 81 HA GLU 81 16.445 12.864 8.934 613 1HB GLU 81 2HB GLU 81 14.489 14.448 9.209 614 2HB GLU 81 3HB GLU 81 14.302 13.792 10.826 615 1HG GLU 81 2HG GLU 81 16.821 14.572 11.122 616 2HG GLU 81 3HG GLU 81 16.561 15.468 9.623 617 H GLY 82 H GLY 82 16.274 10.354 9.351 618 1HA GLY 82 2HA GLY 82 17.126 9.850 12.199 619 2HA GLY 82 3HA GLY 82 15.936 8.817 11.420 620 H MET 83 H MET 83 16.939 8.175 8.926 621 HA MET 83 HA MET 83 19.065 6.477 9.454 622 1HB MET 83 2HB MET 83 19.009 6.022 7.082 623 2HB MET 83 3HB MET 83 17.347 6.403 7.558 624 1HG MET 83 2HG MET 83 18.332 8.900 6.816 625 2HG MET 83 3HG MET 83 19.238 7.795 5.770 626 1HE MET 83 1HE MET 83 18.434 8.645 3.562 627 2HE MET 83 2HE MET 83 18.284 6.884 3.532 628 3HE MET 83 3HE MET 83 16.960 7.901 2.920 629 H THR 84 H THR 84 21.057 6.474 8.097 630 HA THR 84 HA THR 84 22.512 9.058 8.043 631 HB THR 84 HB THR 84 24.298 7.937 9.513 632 HG1 THR 84 1HG THR 84 22.108 6.435 10.482 633 1HG2 THR 84 1HG2 THR 84 21.682 8.593 10.948 634 2HG2 THR 84 2HG2 THR 84 23.324 8.661 11.605 635 3HG2 THR 84 3HG2 THR 84 22.833 9.793 10.331 636 H CYS 85 H CYS 85 22.721 5.474 7.784 637 HA CYS 85 HA CYS 85 24.173 5.423 5.318 638 1HB CYS 85 2HB CYS 85 26.023 6.477 6.586 639 2HB CYS 85 3HB CYS 85 25.853 5.263 7.873 640 HG CYS 85 HG CYS 85 26.497 4.794 4.672 641 H ALA 86 H ALA 86 23.977 4.007 8.590 642 HA ALA 86 HA ALA 86 23.823 1.267 7.833 643 1HB ALA 86 1HB ALA 86 22.531 2.720 10.187 644 2HB ALA 86 2HB ALA 86 22.773 0.966 10.050 645 3HB ALA 86 3HB ALA 86 24.176 2.043 10.161 646 H ALA 87 H ALA 87 21.836 -0.022 8.076 647 HA ALA 87 HA ALA 87 20.108 0.616 5.936 648 1HB ALA 87 1HB ALA 87 21.005 -1.613 6.475 649 2HB ALA 87 2HB ALA 87 20.084 -1.637 7.992 650 3HB ALA 87 3HB ALA 87 19.244 -1.690 6.443 651 H CYS 88 H CYS 88 19.533 2.685 7.966 652 HA CYS 88 HA CYS 88 17.187 1.947 9.471 653 1HB CYS 88 2HB CYS 88 18.440 4.567 8.647 654 2HB CYS 88 3HB CYS 88 17.159 4.436 9.863 655 HG CYS 88 HG CYS 88 18.592 2.845 11.446 656 H ALA 89 H ALA 89 17.878 3.836 6.523 657 HA ALA 89 HA ALA 89 15.194 4.352 5.672 658 1HB ALA 89 1HB ALA 89 17.704 5.031 4.785 659 2HB ALA 89 2HB ALA 89 17.256 3.797 3.589 660 3HB ALA 89 3HB ALA 89 16.238 5.219 3.822 661 H ASN 90 H ASN 90 17.323 1.546 5.288 662 HA ASN 90 HA ASN 90 15.520 0.184 3.461 663 1HB ASN 90 2HB ASN 90 17.663 -0.986 5.223 664 2HB ASN 90 3HB ASN 90 16.818 -1.842 3.928 665 1HD2 ASN 90 1HD2 ASN 90 19.590 -1.740 3.798 666 2HD2 ASN 90 2HD2 ASN 90 20.053 -0.629 2.521 667 H ARG 91 H ARG 91 16.002 0.071 7.029 668 HA ARG 91 HA ARG 91 13.954 -1.827 7.576 669 1HB ARG 91 2HB ARG 91 15.275 0.373 9.170 670 2HB ARG 91 3HB ARG 91 13.810 -0.386 9.791 671 1HG ARG 91 2HG ARG 91 14.825 -2.611 9.623 672 2HG ARG 91 3HG ARG 91 16.322 -1.903 8.975 673 1HD ARG 91 2HD ARG 91 16.712 -0.693 11.038 674 2HD ARG 91 3HD ARG 91 15.112 -1.169 11.680 675 HE ARG 91 HE ARG 91 16.589 -3.509 11.054 676 1HH1 ARG 91 2HH2 ARG 91 16.637 -0.849 13.380 677 2HH1 ARG 91 1HH2 ARG 91 17.363 -1.764 14.658 678 1HH2 ARG 91 2HH1 ARG 91 17.548 -4.768 12.748 679 2HH2 ARG 91 1HH1 ARG 91 17.895 -4.045 14.282 680 H ILE 92 H ILE 92 13.698 1.804 7.434 681 HA ILE 92 HA ILE 92 10.856 1.686 7.845 682 HB ILE 92 HB ILE 92 10.721 3.927 6.866 683 1HG1 ILE 92 2HG1 ILE 92 13.575 4.483 7.048 684 2HG1 ILE 92 3HG1 ILE 92 13.030 3.530 5.647 685 1HG2 ILE 92 1HG2 ILE 92 12.756 3.739 9.088 686 2HG2 ILE 92 2HG2 ILE 92 11.641 5.092 8.732 687 3HG2 ILE 92 3HG2 ILE 92 11.010 3.537 9.313 688 1HD1 ILE 92 1HD1 ILE 92 12.972 5.815 5.035 689 2HD1 ILE 92 2HD1 ILE 92 11.326 5.184 5.092 690 3HD1 ILE 92 3HD1 ILE 92 11.919 6.223 6.416 691 H GLU 93 H GLU 93 12.788 1.396 4.804 692 HA GLU 93 HA GLU 93 10.648 1.659 2.996 693 1HB GLU 93 2HB GLU 93 13.070 1.619 2.386 694 2HB GLU 93 3HB GLU 93 13.194 -0.066 2.832 695 1HG GLU 93 2HG GLU 93 11.122 0.769 0.826 696 2HG GLU 93 3HG GLU 93 12.829 0.685 0.363 697 H LYS 94 H LYS 94 12.196 -1.271 4.323 698 HA LYS 94 HA LYS 94 10.318 -3.033 3.171 699 1HB LYS 94 2HB LYS 94 12.125 -3.440 5.578 700 2HB LYS 94 3HB LYS 94 11.332 -4.736 4.685 701 1HG LYS 94 2HG LYS 94 13.314 -2.759 3.440 702 2HG LYS 94 3HG LYS 94 13.803 -4.283 4.144 703 1HD LYS 94 2HD LYS 94 11.876 -3.986 1.788 704 2HD LYS 94 3HD LYS 94 13.624 -4.097 1.660 705 1HE LYS 94 2HE LYS 94 13.506 -6.322 2.925 706 2HE LYS 94 3HE LYS 94 11.753 -6.267 2.661 707 1HZ LYS 94 1HZ LYS 94 13.841 -6.198 0.574 708 2HZ LYS 94 2HZ LYS 94 12.890 -7.491 0.927 709 3HZ LYS 94 3HZ LYS 94 12.228 -6.124 0.281 710 H ARG 95 H ARG 95 10.073 -1.138 6.068 711 HA ARG 95 HA ARG 95 7.573 -2.559 6.884 712 1HB ARG 95 2HB ARG 95 9.173 -0.364 8.059 713 2HB ARG 95 3HB ARG 95 7.449 -0.040 8.033 714 1HG ARG 95 2HG ARG 95 7.808 -1.111 10.082 715 2HG ARG 95 3HG ARG 95 7.000 -2.287 9.084 716 1HD ARG 95 2HD ARG 95 10.032 -2.148 9.334 717 2HD ARG 95 3HD ARG 95 9.029 -3.067 10.487 718 HE ARG 95 HE ARG 95 8.162 -4.001 8.077 719 1HH1 ARG 95 2HH2 ARG 95 11.315 -3.828 9.605 720 2HH1 ARG 95 1HH2 ARG 95 11.982 -5.207 8.781 721 1HH2 ARG 95 2HH1 ARG 95 9.015 -5.718 6.862 722 2HH2 ARG 95 1HH1 ARG 95 10.573 -6.390 7.243 723 H LEU 96 H LEU 96 8.089 0.802 5.792 724 HA LEU 96 HA LEU 96 5.428 1.409 5.379 725 1HB LEU 96 2HB LEU 96 7.791 2.506 3.880 726 2HB LEU 96 3HB LEU 96 6.140 3.140 3.846 727 HG LEU 96 HG LEU 96 8.047 3.102 6.216 728 1HD1 LEU 96 1HD1 LEU 96 6.454 5.273 4.816 729 2HD1 LEU 96 2HD1 LEU 96 7.616 5.516 6.141 730 3HD1 LEU 96 3HD1 LEU 96 8.183 4.935 4.562 731 1HD2 LEU 96 1HD2 LEU 96 5.052 3.638 6.267 732 2HD2 LEU 96 2HD2 LEU 96 5.967 2.470 7.256 733 3HD2 LEU 96 3HD2 LEU 96 6.185 4.198 7.511 734 H ASN 97 H ASN 97 7.609 -0.043 3.003 735 HA ASN 97 HA ASN 97 6.228 -0.170 0.669 736 1HB ASN 97 2HB ASN 97 8.441 -1.056 1.176 737 2HB ASN 97 3HB ASN 97 7.742 -2.428 2.054 738 1HD2 ASN 97 1HD2 ASN 97 9.589 -2.271 -0.250 739 2HD2 ASN 97 2HD2 ASN 97 8.794 -3.131 -1.580 740 H LYS 98 H LYS 98 5.514 -2.172 3.572 741 HA LYS 98 HA LYS 98 2.788 -2.236 2.706 742 1HB LYS 98 2HB LYS 98 2.420 -4.656 3.024 743 2HB LYS 98 3HB LYS 98 3.216 -4.199 1.522 744 1HG LYS 98 2HG LYS 98 4.977 -4.905 3.858 745 2HG LYS 98 3HG LYS 98 4.093 -6.225 3.106 746 1HD LYS 98 2HD LYS 98 5.224 -5.937 0.998 747 2HD LYS 98 3HD LYS 98 5.655 -4.285 1.385 748 1HE LYS 98 2HE LYS 98 7.655 -5.568 1.536 749 2HE LYS 98 3HE LYS 98 7.193 -5.009 3.148 750 1HZ LYS 98 1HZ LYS 98 7.862 -7.311 3.189 751 2HZ LYS 98 2HZ LYS 98 6.266 -7.219 3.555 752 3HZ LYS 98 3HZ LYS 98 6.746 -7.730 2.065 753 H ILE 99 H ILE 99 2.805 -0.815 4.509 754 HA ILE 99 HA ILE 99 2.484 -2.204 7.130 755 HB ILE 99 HB ILE 99 1.782 0.609 6.206 756 1HG1 ILE 99 2HG1 ILE 99 4.237 0.011 6.459 757 2HG1 ILE 99 3HG1 ILE 99 3.651 1.394 7.382 758 1HG2 ILE 99 1HG2 ILE 99 0.257 0.260 8.040 759 2HG2 ILE 99 2HG2 ILE 99 1.458 -0.665 8.950 760 3HG2 ILE 99 3HG2 ILE 99 1.630 1.088 8.715 761 1HD1 ILE 99 1HD1 ILE 99 5.219 -0.007 8.657 762 2HD1 ILE 99 2HD1 ILE 99 3.644 0.039 9.443 763 3HD1 ILE 99 3HD1 ILE 99 4.133 -1.399 8.516 764 H GLU 100 H GLU 100 -0.238 -0.299 6.349 765 HA GLU 100 HA GLU 100 -1.785 -2.776 5.757 766 1HB GLU 100 2HB GLU 100 -2.465 -0.115 7.054 767 2HB GLU 100 3HB GLU 100 -3.709 -1.206 6.418 768 1HG GLU 100 2HG GLU 100 -3.480 -1.661 8.728 769 2HG GLU 100 3HG GLU 100 -2.828 -3.048 7.852 770 H GLY 101 H GLY 101 -3.106 0.344 4.931 771 1HA GLY 101 2HA GLY 101 -3.469 -0.609 2.218 772 2HA GLY 101 3HA GLY 101 -4.124 0.886 2.931 773 H VAL 102 H VAL 102 -0.930 -0.515 2.260 774 HA VAL 102 HA VAL 102 -0.054 1.993 0.863 775 HB VAL 102 HB VAL 102 1.748 -0.061 2.170 776 1HG1 VAL 102 1HG1 VAL 102 2.093 2.713 0.945 777 2HG1 VAL 102 2HG1 VAL 102 3.309 2.009 1.976 778 3HG1 VAL 102 3HG1 VAL 102 2.877 1.191 0.468 779 1HG2 VAL 102 1HG2 VAL 102 2.053 1.626 3.970 780 2HG2 VAL 102 2HG2 VAL 102 0.725 2.583 3.292 781 3HG2 VAL 102 3HG2 VAL 102 0.413 0.967 3.955 782 H ALA 103 H ALA 103 0.304 1.867 -1.236 783 HA ALA 103 HA ALA 103 0.143 -0.669 -2.656 784 1HB ALA 103 1HB ALA 103 0.847 2.143 -3.590 785 2HB ALA 103 2HB ALA 103 0.750 0.723 -4.641 786 3HB ALA 103 3HB ALA 103 -0.697 1.297 -3.801 787 H ASN 104 H ASN 104 2.570 1.866 -1.967 788 HA ASN 104 HA ASN 104 4.840 0.008 -2.073 789 1HB ASN 104 2HB ASN 104 4.699 2.329 -4.047 790 2HB ASN 104 3HB ASN 104 6.040 1.214 -3.828 791 1HD2 ASN 104 1HD2 ASN 104 3.395 1.893 -5.763 792 2HD2 ASN 104 2HD2 ASN 104 3.266 0.297 -6.508 793 H ALA 105 H ALA 105 6.892 1.331 -1.756 794 HA ALA 105 HA ALA 105 6.629 4.043 -0.805 795 1HB ALA 105 1HB ALA 105 7.364 1.998 1.299 796 2HB ALA 105 2HB ALA 105 7.268 3.756 1.502 797 3HB ALA 105 3HB ALA 105 5.792 2.821 1.203 798 HA PRO 106 HA PRO 106 10.861 2.683 -2.307 799 1HB PRO 106 2HB PRO 106 11.155 4.607 -4.280 800 2HB PRO 106 3HB PRO 106 10.473 2.975 -4.536 801 1HG PRO 106 2HG PRO 106 8.966 5.542 -4.006 802 2HG PRO 106 3HG PRO 106 8.654 4.347 -5.299 803 1HD PRO 106 2HD PRO 106 7.190 4.286 -3.049 804 2HD PRO 106 3HD PRO 106 7.818 2.762 -3.717 805 H VAL 107 H VAL 107 12.507 3.463 -1.183 806 HA VAL 107 HA VAL 107 12.401 6.171 0.009 807 HB VAL 107 HB VAL 107 14.009 3.708 0.843 808 1HG1 VAL 107 1HG1 VAL 107 15.126 5.677 1.619 809 2HG1 VAL 107 2HG1 VAL 107 13.598 6.438 2.110 810 3HG1 VAL 107 3HG1 VAL 107 14.211 5.028 2.988 811 1HG2 VAL 107 1HG2 VAL 107 11.667 3.224 1.246 812 2HG2 VAL 107 2HG2 VAL 107 12.394 3.679 2.799 813 3HG2 VAL 107 3HG2 VAL 107 11.405 4.831 1.921 814 H ASN 108 H ASN 108 14.184 7.561 -0.252 815 HA ASN 108 HA ASN 108 16.130 6.849 -2.416 816 1HB ASN 108 2HB ASN 108 15.282 9.478 -1.122 817 2HB ASN 108 3HB ASN 108 16.622 9.333 -2.259 818 1HD2 ASN 108 1HD2 ASN 108 16.168 8.699 -4.523 819 2HD2 ASN 108 2HD2 ASN 108 14.565 9.012 -5.159 820 H PHE 109 H PHE 109 18.376 7.381 -2.012 821 HA PHE 109 HA PHE 109 19.088 7.473 0.892 822 1HB PHE 109 2HB PHE 109 19.621 5.427 -0.896 823 2HB PHE 109 3HB PHE 109 21.081 6.396 -1.020 824 HD1 PHE 109 1HD PHE 109 22.626 6.530 0.912 825 HD2 PHE 109 2HD PHE 109 18.800 4.584 1.300 826 HE1 PHE 109 1HE PHE 109 23.302 5.634 3.107 827 HE2 PHE 109 2HE PHE 109 19.475 3.692 3.487 828 HZ PHE 109 HZ PHE 109 21.750 4.167 4.402 829 H ALA 110 H ALA 110 18.880 9.442 -1.612 830 HA ALA 110 HA ALA 110 21.468 10.892 -1.135 831 1HB ALA 110 1HB ALA 110 21.151 10.162 -3.466 832 2HB ALA 110 2HB ALA 110 19.566 10.967 -3.519 833 3HB ALA 110 3HB ALA 110 21.048 11.929 -3.326 834 H LEU 111 H LEU 111 17.952 11.217 -1.657 835 HA LEU 111 HA LEU 111 17.924 14.021 -0.904 836 1HB LEU 111 2HB LEU 111 15.629 12.101 -1.315 837 2HB LEU 111 3HB LEU 111 15.567 13.869 -1.397 838 HG LEU 111 HG LEU 111 16.880 11.943 -3.369 839 1HD1 LEU 111 1HD1 LEU 111 14.551 13.882 -3.654 840 2HD1 LEU 111 2HD1 LEU 111 15.194 12.814 -4.919 841 3HD1 LEU 111 3HD1 LEU 111 14.422 12.120 -3.484 842 1HD2 LEU 111 1HD2 LEU 111 17.358 13.975 -4.743 843 2HD2 LEU 111 2HD2 LEU 111 16.860 15.000 -3.380 844 3HD2 LEU 111 3HD2 LEU 111 18.295 13.959 -3.244 845 H GLU 112 H GLU 112 17.630 11.016 0.844 846 HA GLU 112 HA GLU 112 16.826 10.387 2.836 847 1HB GLU 112 2HB GLU 112 17.541 13.258 3.514 848 2HB GLU 112 3HB GLU 112 16.803 12.186 4.702 849 1HG GLU 112 2HG GLU 112 18.549 10.567 4.505 850 2HG GLU 112 3HG GLU 112 19.316 11.430 3.151 851 H THR 113 H THR 113 15.013 10.498 0.962 852 HA THR 113 HA THR 113 12.559 11.411 2.364 853 HB THR 113 HB THR 113 11.618 11.934 0.123 854 HG1 THR 113 1HG THR 113 12.766 11.553 -1.639 855 1HG2 THR 113 1HG2 THR 113 12.909 13.975 -0.364 856 2HG2 THR 113 2HG2 THR 113 12.679 13.794 1.396 857 3HG2 THR 113 3HG2 THR 113 14.237 13.406 0.644 858 H VAL 114 H VAL 114 10.668 10.259 1.781 859 HA VAL 114 HA VAL 114 11.011 7.762 0.267 860 HB VAL 114 HB VAL 114 11.125 6.913 2.471 861 1HG1 VAL 114 1HG1 VAL 114 9.618 7.285 4.269 862 2HG1 VAL 114 2HG1 VAL 114 10.145 8.884 3.727 863 3HG1 VAL 114 3HG1 VAL 114 8.544 8.261 3.266 864 1HG2 VAL 114 1HG2 VAL 114 9.194 5.434 2.530 865 2HG2 VAL 114 2HG2 VAL 114 8.216 6.568 1.590 866 3HG2 VAL 114 3HG2 VAL 114 9.586 5.743 0.832 867 H THR 115 H THR 115 9.576 7.618 -1.309 868 HA THR 115 HA THR 115 7.238 9.475 -1.292 869 HB THR 115 HB THR 115 8.307 7.621 -3.447 870 HG1 THR 115 1HG THR 115 8.596 10.406 -2.998 871 1HG2 THR 115 1HG2 THR 115 6.195 9.830 -3.516 872 2HG2 THR 115 2HG2 THR 115 6.836 8.947 -4.922 873 3HG2 THR 115 3HG2 THR 115 5.915 8.081 -3.681 874 H VAL 116 H VAL 116 5.596 8.635 -0.072 875 HA VAL 116 HA VAL 116 5.350 5.648 0.061 876 HB VAL 116 HB VAL 116 5.710 6.625 2.186 877 1HG1 VAL 116 1HG1 VAL 116 4.142 8.061 3.322 878 2HG1 VAL 116 2HG1 VAL 116 4.783 8.878 1.909 879 3HG1 VAL 116 3HG1 VAL 116 3.132 8.213 1.879 880 1HG2 VAL 116 1HG2 VAL 116 4.293 4.622 1.983 881 2HG2 VAL 116 2HG2 VAL 116 3.809 5.627 3.357 882 3HG2 VAL 116 3HG2 VAL 116 2.848 5.646 1.870 883 H GLU 117 H GLU 117 3.916 4.760 -1.289 884 HA GLU 117 HA GLU 117 1.707 6.428 -2.376 885 1HB GLU 117 2HB GLU 117 2.977 3.782 -3.209 886 2HB GLU 117 3HB GLU 117 1.460 4.383 -3.893 887 1HG GLU 117 2HG GLU 117 2.499 6.359 -4.718 888 2HG GLU 117 3HG GLU 117 4.075 5.929 -4.008 889 H TYR 118 H TYR 118 0.040 6.379 -0.885 890 HA TYR 118 HA TYR 118 -0.958 3.708 -0.123 891 1HB TYR 118 2HB TYR 118 -0.761 3.980 2.198 892 2HB TYR 118 3HB TYR 118 0.799 4.530 1.622 893 HD1 TYR 118 HD1 TYR 118 -2.079 5.289 3.597 894 HD2 TYR 118 HD2 TYR 118 0.968 7.187 1.220 895 HE1 TYR 118 HE1 TYR 118 -2.453 7.412 4.802 896 HE2 TYR 118 HE2 TYR 118 0.589 9.310 2.424 897 HH TYR 118 HH TYR 118 -0.557 10.359 4.122 898 H ASN 119 H ASN 119 -2.919 3.915 1.286 899 HA ASN 119 HA ASN 119 -4.746 5.677 -0.181 900 1HB ASN 119 2HB ASN 119 -4.851 3.083 0.258 901 2HB ASN 119 3HB ASN 119 -5.689 3.535 1.722 902 1HD2 ASN 119 1HD2 ASN 119 -7.290 5.765 0.849 903 2HD2 ASN 119 2HD2 ASN 119 -8.221 5.253 -0.523 904 HA PRO 120 HA PRO 120 -4.597 8.038 3.743 905 1HB PRO 120 2HB PRO 120 -5.568 10.433 2.911 906 2HB PRO 120 3HB PRO 120 -3.950 9.840 2.445 907 1HG PRO 120 2HG PRO 120 -6.518 9.589 0.844 908 2HG PRO 120 3HG PRO 120 -4.958 10.273 0.293 909 1HD PRO 120 2HD PRO 120 -5.622 7.702 -0.209 910 2HD PRO 120 3HD PRO 120 -3.945 8.142 0.231 911 H LYS 121 H LYS 121 -7.056 6.365 2.553 912 HA LYS 121 HA LYS 121 -9.176 7.520 4.302 913 1HB LYS 121 2HB LYS 121 -10.686 6.732 2.949 914 2HB LYS 121 3HB LYS 121 -9.411 6.644 1.761 915 1HG LYS 121 2HG LYS 121 -10.436 4.622 1.572 916 2HG LYS 121 3HG LYS 121 -9.061 4.180 2.581 917 1HD LYS 121 2HD LYS 121 -10.564 4.374 4.592 918 2HD LYS 121 3HD LYS 121 -11.877 4.878 3.577 919 1HE LYS 121 2HE LYS 121 -10.448 2.163 3.258 920 2HE LYS 121 3HE LYS 121 -11.672 2.413 4.498 921 1HZ LYS 121 1HZ LYS 121 -13.315 2.866 2.735 922 2HZ LYS 121 2HZ LYS 121 -12.205 2.437 1.584 923 3HZ LYS 121 3HZ LYS 121 -12.669 1.412 2.711 924 H GLU 122 H GLU 122 -6.860 4.876 3.826 925 HA GLU 122 HA GLU 122 -8.150 3.256 5.912 926 1HB GLU 122 2HB GLU 122 -6.968 2.678 3.475 927 2HB GLU 122 3HB GLU 122 -5.640 2.337 4.602 928 1HG GLU 122 2HG GLU 122 -8.461 1.146 4.637 929 2HG GLU 122 3HG GLU 122 -6.987 0.361 4.090 930 H ALA 123 H ALA 123 -5.139 5.024 5.181 931 HA ALA 123 HA ALA 123 -4.417 5.008 8.092 932 1HB ALA 123 1HB ALA 123 -2.992 3.371 6.916 933 2HB ALA 123 2HB ALA 123 -2.484 4.629 5.772 934 3HB ALA 123 3HB ALA 123 -2.053 4.754 7.488 935 H SER 124 H SER 124 -2.308 6.787 8.052 936 HA SER 124 HA SER 124 -2.906 9.111 6.433 937 1HB SER 124 2HB SER 124 -3.621 10.570 8.271 938 2HB SER 124 3HB SER 124 -4.761 9.233 8.109 939 HG SER 124 HG SER 124 -3.712 8.203 9.841 940 H VAL 125 H VAL 125 -1.530 11.005 7.255 941 HA VAL 125 HA VAL 125 1.143 10.523 7.640 942 HB VAL 125 HB VAL 125 -0.333 12.821 9.016 943 1HG1 VAL 125 1HG1 VAL 125 1.749 14.066 8.441 944 2HG1 VAL 125 2HG1 VAL 125 1.923 12.803 9.657 945 3HG1 VAL 125 3HG1 VAL 125 2.483 12.506 8.002 946 1HG2 VAL 125 1HG2 VAL 125 0.037 14.105 6.881 947 2HG2 VAL 125 2HG2 VAL 125 0.506 12.599 6.078 948 3HG2 VAL 125 3HG2 VAL 125 -1.147 12.821 6.684 949 H SER 126 H SER 126 -1.373 10.640 10.176 950 HA SER 126 HA SER 126 0.424 10.630 12.398 951 1HB SER 126 2HB SER 126 -2.450 9.642 12.204 952 2HB SER 126 3HB SER 126 -1.538 9.914 13.701 953 HG SER 126 HG SER 126 -1.987 11.917 11.721 954 H ASP 127 H ASP 127 -1.024 7.969 10.467 955 HA ASP 127 HA ASP 127 -0.069 5.830 12.204 956 1HB ASP 127 2HB ASP 127 -1.870 5.297 10.695 957 2HB ASP 127 3HB ASP 127 -0.992 5.980 9.310 958 H LEU 128 H LEU 128 1.068 7.427 9.249 959 HA LEU 128 HA LEU 128 3.340 5.762 8.799 960 1HB LEU 128 2HB LEU 128 2.767 8.628 8.003 961 2HB LEU 128 3HB LEU 128 4.142 7.703 7.398 962 HG LEU 128 HG LEU 128 1.235 6.826 7.124 963 1HD1 LEU 128 1HD1 LEU 128 3.089 8.312 5.269 964 2HD1 LEU 128 2HD1 LEU 128 1.618 7.485 4.704 965 3HD1 LEU 128 3HD1 LEU 128 1.490 8.818 5.869 966 1HD2 LEU 128 1HD2 LEU 128 3.820 5.804 5.845 967 2HD2 LEU 128 2HD2 LEU 128 2.744 4.884 6.925 968 3HD2 LEU 128 3HD2 LEU 128 2.191 5.330 5.319 969 H LYS 129 H LYS 129 3.028 8.878 10.423 970 HA LYS 129 HA LYS 129 5.612 9.198 11.542 971 1HB LYS 129 2HB LYS 129 2.785 9.869 12.424 972 2HB LYS 129 3HB LYS 129 4.123 10.266 13.455 973 1HG LYS 129 2HG LYS 129 4.563 11.061 10.616 974 2HG LYS 129 3HG LYS 129 3.095 11.724 11.296 975 1HD LYS 129 2HD LYS 129 4.886 13.270 11.579 976 2HD LYS 129 3HD LYS 129 4.267 12.773 13.146 977 1HE LYS 129 2HE LYS 129 6.737 11.441 11.911 978 2HE LYS 129 3HE LYS 129 6.882 12.979 12.754 979 1HZ LYS 129 1HZ LYS 129 5.862 10.519 14.104 980 2HZ LYS 129 2HZ LYS 129 7.346 10.967 14.175 981 3HZ LYS 129 3HZ LYS 129 6.180 11.959 14.776 982 H GLU 130 H GLU 130 2.717 7.640 13.086 983 HA GLU 130 HA GLU 130 4.132 6.761 15.332 984 1HB GLU 130 2HB GLU 130 1.599 5.778 13.990 985 2HB GLU 130 3HB GLU 130 2.286 4.903 15.348 986 1HG GLU 130 2HG GLU 130 2.346 7.128 16.639 987 2HG GLU 130 3HG GLU 130 1.312 7.781 15.359 988 H ALA 131 H ALA 131 3.828 5.135 12.188 989 HA ALA 131 HA ALA 131 4.988 2.659 12.954 990 1HB ALA 131 1HB ALA 131 5.009 4.042 10.236 991 2HB ALA 131 2HB ALA 131 5.349 2.330 10.548 992 3HB ALA 131 3HB ALA 131 3.730 2.983 10.863 993 H VAL 132 H VAL 132 6.566 5.641 11.435 994 HA VAL 132 HA VAL 132 9.133 4.283 11.615 995 HB VAL 132 HB VAL 132 8.287 7.078 10.917 996 1HG1 VAL 132 1HG1 VAL 132 10.550 7.226 11.756 997 2HG1 VAL 132 2HG1 VAL 132 10.996 5.695 10.958 998 3HG1 VAL 132 3HG1 VAL 132 10.732 7.159 10.008 999 1HG2 VAL 132 1HG2 VAL 132 8.988 6.166 8.594 1000 2HG2 VAL 132 2HG2 VAL 132 9.073 4.572 9.343 1001 3HG2 VAL 132 3HG2 VAL 132 7.539 5.431 9.291 1002 H ASP 133 H ASP 133 7.331 6.562 13.662 1003 HA ASP 133 HA ASP 133 9.378 7.169 15.473 1004 1HB ASP 133 2HB ASP 133 6.384 6.841 15.903 1005 2HB ASP 133 3HB ASP 133 7.512 7.620 16.997 1006 H LYS 134 H LYS 134 7.064 4.405 15.208 1007 HA LYS 134 HA LYS 134 8.017 2.906 17.402 1008 1HB LYS 134 2HB LYS 134 6.223 2.382 15.153 1009 2HB LYS 134 3HB LYS 134 7.360 1.061 15.299 1010 1HG LYS 134 2HG LYS 134 5.570 0.447 16.650 1011 2HG LYS 134 3HG LYS 134 6.827 0.998 17.778 1012 1HD LYS 134 2HD LYS 134 5.566 3.360 17.459 1013 2HD LYS 134 3HD LYS 134 4.228 2.358 16.926 1014 1HE LYS 134 2HE LYS 134 5.670 2.299 19.626 1015 2HE LYS 134 3HE LYS 134 4.023 2.867 19.318 1016 1HZ LYS 134 1HZ LYS 134 3.417 0.615 18.742 1017 2HZ LYS 134 2HZ LYS 134 4.953 0.084 19.023 1018 3HZ LYS 134 3HZ LYS 134 4.046 0.672 20.262 1019 H LEU 135 H LEU 135 9.132 2.793 13.965 1020 HA LEU 135 HA LEU 135 11.190 0.867 14.382 1021 1HB LEU 135 2HB LEU 135 10.994 3.206 12.447 1022 2HB LEU 135 3HB LEU 135 12.458 2.257 12.586 1023 HG LEU 135 HG LEU 135 11.224 1.543 10.705 1024 1HD1 LEU 135 1HD1 LEU 135 11.089 -0.688 12.757 1025 2HD1 LEU 135 2HD1 LEU 135 11.297 -0.807 11.003 1026 3HD1 LEU 135 3HD1 LEU 135 12.590 -0.109 11.996 1027 1HD2 LEU 135 1HD2 LEU 135 9.110 0.374 10.850 1028 2HD2 LEU 135 2HD2 LEU 135 8.966 0.747 12.580 1029 3HD2 LEU 135 3HD2 LEU 135 8.945 2.046 11.354 1030 H GLY 136 H GLY 136 11.106 4.302 15.170 1031 1HA GLY 136 2HA GLY 136 12.306 5.196 17.003 1032 2HA GLY 136 3HA GLY 136 13.556 3.954 16.846 1033 H TYR 137 H TYR 137 12.021 6.080 14.419 1034 HA TYR 137 HA TYR 137 14.495 7.696 14.121 1035 1HB TYR 137 2HB TYR 137 12.781 6.667 11.845 1036 2HB TYR 137 3HB TYR 137 14.189 7.670 11.667 1037 HD1 TYR 137 HD1 TYR 137 16.369 6.490 13.042 1038 HD2 TYR 137 HD2 TYR 137 13.016 4.454 11.259 1039 HE1 TYR 137 HE1 TYR 137 17.648 4.374 13.041 1040 HE2 TYR 137 HE2 TYR 137 14.350 2.384 11.103 1041 HH TYR 137 HH TYR 137 16.261 1.376 11.647 1042 H LYS 138 H LYS 138 13.443 9.658 12.394 1043 HA LYS 138 HA LYS 138 10.750 10.250 13.478 1044 1HB LYS 138 2HB LYS 138 11.308 12.461 14.065 1045 2HB LYS 138 3HB LYS 138 12.450 11.374 14.867 1046 1HG LYS 138 2HG LYS 138 13.925 11.863 12.689 1047 2HG LYS 138 3HG LYS 138 12.863 13.274 12.577 1048 1HD LYS 138 2HD LYS 138 13.557 13.505 15.165 1049 2HD LYS 138 3HD LYS 138 14.936 12.504 14.621 1050 1HE LYS 138 2HE LYS 138 15.236 14.103 12.740 1051 2HE LYS 138 3HE LYS 138 14.013 15.183 13.429 1052 1HZ LYS 138 1HZ LYS 138 16.657 14.471 14.523 1053 2HZ LYS 138 2HZ LYS 138 16.194 15.855 13.761 1054 3HZ LYS 138 3HZ LYS 138 15.577 15.508 15.260 1055 H LEU 139 H LEU 139 9.430 10.737 11.957 1056 HA LEU 139 HA LEU 139 10.380 10.844 9.164 1057 1HB LEU 139 2HB LEU 139 8.844 9.067 10.293 1058 2HB LEU 139 3HB LEU 139 7.580 10.280 10.104 1059 HG LEU 139 HG LEU 139 8.064 10.286 7.676 1060 1HD1 LEU 139 1HD1 LEU 139 9.283 8.328 6.676 1061 2HD1 LEU 139 2HD1 LEU 139 10.288 9.604 7.355 1062 3HD1 LEU 139 3HD1 LEU 139 10.044 8.109 8.256 1063 1HD2 LEU 139 1HD2 LEU 139 7.254 7.709 8.935 1064 2HD2 LEU 139 2HD2 LEU 139 6.230 9.076 8.486 1065 3HD2 LEU 139 3HD2 LEU 139 7.002 8.102 7.218 1066 H LYS 140 H LYS 140 9.467 12.437 7.708 1067 HA LYS 140 HA LYS 140 8.197 14.846 8.909 1068 1HB LYS 140 2HB LYS 140 10.811 14.558 7.381 1069 2HB LYS 140 3HB LYS 140 9.978 16.107 7.509 1070 1HG LYS 140 2HG LYS 140 11.106 14.482 9.839 1071 2HG LYS 140 3HG LYS 140 11.898 15.810 8.995 1072 1HD LYS 140 2HD LYS 140 9.678 17.149 9.569 1073 2HD LYS 140 3HD LYS 140 9.491 15.902 10.826 1074 1HE LYS 140 2HE LYS 140 11.799 16.467 11.664 1075 2HE LYS 140 3HE LYS 140 11.967 17.672 10.381 1076 1HZ LYS 140 1HZ LYS 140 10.026 17.778 12.583 1077 2HZ LYS 140 2HZ LYS 140 11.372 18.709 12.390 1078 3HZ LYS 140 3HZ LYS 140 10.112 18.864 11.344 1079 H LEU 141 H LEU 141 7.773 16.387 6.849 1080 HA LEU 141 HA LEU 141 6.973 14.740 4.514 1081 1HB LEU 141 2HB LEU 141 5.251 16.861 5.837 1082 2HB LEU 141 3HB LEU 141 4.925 15.977 4.342 1083 HG LEU 141 HG LEU 141 5.330 13.860 6.020 1084 1HD1 LEU 141 1HD1 LEU 141 3.951 15.977 7.737 1085 2HD1 LEU 141 2HD1 LEU 141 4.229 14.278 8.163 1086 3HD1 LEU 141 3HD1 LEU 141 5.595 15.388 8.027 1087 1HD2 LEU 141 1HD2 LEU 141 2.884 13.673 6.115 1088 2HD2 LEU 141 2HD2 LEU 141 2.731 15.355 5.621 1089 3HD2 LEU 141 3HD2 LEU 141 3.437 14.167 4.507 1090 H LYS 142 H LYS 142 7.199 15.740 2.499 1091 HA LYS 142 HA LYS 142 8.922 18.120 2.500 1092 1HB LYS 142 2HB LYS 142 7.669 16.482 0.262 1093 2HB LYS 142 3HB LYS 142 8.686 17.893 0.024 1094 1HG LYS 142 2HG LYS 142 10.184 16.337 1.831 1095 2HG LYS 142 3HG LYS 142 9.429 15.137 0.788 1096 1HD LYS 142 2HD LYS 142 11.505 15.687 -0.208 1097 2HD LYS 142 3HD LYS 142 10.288 16.505 -1.203 1098 1HE LYS 142 2HE LYS 142 10.780 18.645 0.080 1099 2HE LYS 142 3HE LYS 142 11.969 17.764 1.050 1100 1HZ LYS 142 1HZ LYS 142 12.973 19.006 -0.719 1101 2HZ LYS 142 2HZ LYS 142 13.243 17.400 -0.931 1102 3HZ LYS 142 3HZ LYS 142 12.123 18.181 -1.861 1103 H GLY 143 H GLY 143 7.506 19.554 3.621 1104 1HA GLY 143 2HA GLY 143 6.578 21.668 3.289 1105 2HA GLY 143 3HA GLY 143 6.187 21.252 1.615 1106 H GLU 144 H GLU 144 4.586 19.058 1.832 1107 HA GLU 144 HA GLU 144 2.473 18.331 2.245 1108 1HB GLU 144 2HB GLU 144 3.620 18.355 4.622 1109 2HB GLU 144 3HB GLU 144 2.531 19.706 4.947 1110 1HG GLU 144 2HG GLU 144 0.602 18.178 4.332 1111 2HG GLU 144 3HG GLU 144 1.777 16.863 4.160 1112 H GLN 145 H GLN 145 2.825 20.945 0.954 1113 HA GLN 145 HA GLN 145 0.177 22.058 1.135 1114 1HB GLN 145 2HB GLN 145 1.904 22.940 3.207 1115 2HB GLN 145 3HB GLN 145 2.058 24.191 1.994 1116 1HG GLN 145 2HG GLN 145 0.291 24.934 3.269 1117 2HG GLN 145 3HG GLN 145 -0.534 24.217 1.891 1118 1HE2 GLN 145 1HE2 GLN 145 0.802 23.191 5.118 1119 2HE2 GLN 145 2HE2 GLN 145 -0.598 22.227 5.544 1120 H ASP 146 H ASP 146 3.585 22.799 0.448 1121 HA ASP 146 HA ASP 146 4.683 23.751 -1.215 1122 1HB ASP 146 2HB ASP 146 3.607 21.889 -2.530 1123 2HB ASP 146 3HB ASP 146 2.380 23.049 -3.076 1124 H SER 147 H SER 147 2.980 25.253 0.429 1125 HA SER 147 HA SER 147 3.352 27.835 -0.849 1126 1HB SER 147 2HB SER 147 0.551 26.899 -0.065 1127 2HB SER 147 3HB SER 147 0.985 28.602 -0.262 1128 HG SER 147 HG SER 147 1.594 26.826 -2.349 1129 H ILE 148 H ILE 148 4.501 26.306 1.295 1130 HA ILE 148 HA ILE 148 5.228 26.408 3.379 1131 HB ILE 148 HB ILE 148 4.164 29.234 3.293 1132 1HG1 ILE 148 2HG1 ILE 148 6.989 28.144 2.931 1133 2HG1 ILE 148 3HG1 ILE 148 5.917 28.585 1.598 1134 1HG2 ILE 148 1HG2 ILE 148 6.086 27.940 5.280 1135 2HG2 ILE 148 2HG2 ILE 148 5.673 29.666 5.218 1136 3HG2 ILE 148 3HG2 ILE 148 4.441 28.495 5.650 1137 1HD1 ILE 148 1HD1 ILE 148 7.406 30.408 1.951 1138 2HD1 ILE 148 2HD1 ILE 148 5.787 30.916 2.472 1139 3HD1 ILE 148 3HD1 ILE 148 7.031 30.496 3.676 1140 H GLU 149 H GLU 149 1.994 28.041 3.565 1141 HA GLU 149 HA GLU 149 1.027 25.877 5.244 1142 1HB GLU 149 2HB GLU 149 2.223 27.742 6.718 1143 2HB GLU 149 3HB GLU 149 0.730 28.638 6.446 1144 1HG GLU 149 2HG GLU 149 0.053 25.906 7.231 1145 2HG GLU 149 3HG GLU 149 1.316 26.496 8.310 1146 H GLY 150 H GLY 150 -1.330 27.408 6.114 1147 1HA GLY 150 2HA GLY 150 -2.727 27.672 3.473 1148 2HA GLY 150 3HA GLY 150 -3.430 27.062 4.977 1149 H ARG 151 H ARG 151 -4.871 28.625 5.794 1150 HA ARG 151 HA ARG 151 -4.086 31.264 6.428 1151 1HB ARG 151 2HB ARG 151 -4.458 31.217 3.895 1152 2HB ARG 151 3HB ARG 151 -6.137 30.758 4.210 1153 1HG ARG 151 2HG ARG 151 -6.703 32.861 5.018 1154 2HG ARG 151 3HG ARG 151 -5.072 33.218 5.599 1155 1HD ARG 151 2HD ARG 151 -4.230 33.819 3.580 1156 2HD ARG 151 3HD ARG 151 -5.257 32.746 2.651 1157 HE ARG 151 HE ARG 151 -5.779 35.519 3.267 1158 1HH1 ARG 151 2HH2 ARG 151 -7.359 32.421 2.890 1159 2HH1 ARG 151 1HH2 ARG 151 -8.780 33.004 2.075 1160 1HH2 ARG 151 2HH1 ARG 151 -7.670 36.406 2.207 1161 2HH2 ARG 151 1HH1 ARG 151 -8.968 35.364 1.721 Start of MODEL 7 1 1H MET 1 H1 MET 1 2.646 -11.142 11.352 2 2H MET 1 H2 MET 1 2.871 -9.690 10.626 3 3H MET 1 H3 MET 1 1.336 -10.250 10.903 4 HA MET 1 HA MET 1 1.645 -10.544 8.688 5 1HB MET 1 2HB MET 1 3.606 -12.009 7.884 6 2HB MET 1 3HB MET 1 3.824 -10.286 8.158 7 1HG MET 1 2HG MET 1 4.689 -12.382 10.177 8 2HG MET 1 3HG MET 1 5.718 -11.713 8.922 9 1HE MET 1 1HE MET 1 6.944 -10.230 12.406 10 2HE MET 1 2HE MET 1 6.046 -11.756 12.247 11 3HE MET 1 3HE MET 1 7.340 -11.359 11.089 12 H LEU 2 H LEU 2 3.073 -13.362 10.482 13 HA LEU 2 HA LEU 2 2.263 -15.371 10.975 14 1HB LEU 2 2HB LEU 2 -0.205 -13.774 11.023 15 2HB LEU 2 3HB LEU 2 -0.511 -15.431 10.536 16 HG LEU 2 HG LEU 2 1.286 -14.918 12.921 17 1HD1 LEU 2 1HD1 LEU 2 -0.687 -14.869 14.399 18 2HD1 LEU 2 2HD1 LEU 2 -0.589 -13.441 13.356 19 3HD1 LEU 2 3HD1 LEU 2 -1.747 -14.736 12.978 20 1HD2 LEU 2 1HD2 LEU 2 0.302 -17.043 13.668 21 2HD2 LEU 2 2HD2 LEU 2 -0.836 -17.031 12.308 22 3HD2 LEU 2 3HD2 LEU 2 0.901 -17.236 12.008 23 H SER 3 H SER 3 3.344 -16.410 9.480 24 HA SER 3 HA SER 3 3.869 -17.582 7.648 25 1HB SER 3 2HB SER 3 1.031 -17.192 6.599 26 2HB SER 3 3HB SER 3 2.231 -18.361 6.046 27 HG SER 3 HG SER 3 0.681 -19.195 7.603 28 H GLU 4 H GLU 4 4.219 -17.226 5.181 29 HA GLU 4 HA GLU 4 4.799 -14.420 4.657 30 1HB GLU 4 2HB GLU 4 5.173 -17.038 3.157 31 2HB GLU 4 3HB GLU 4 5.526 -15.485 2.404 32 1HG GLU 4 2HG GLU 4 7.169 -14.902 4.021 33 2HG GLU 4 3HG GLU 4 6.720 -16.237 5.100 34 H GLN 5 H GLN 5 2.193 -14.380 5.172 35 HA GLN 5 HA GLN 5 1.037 -13.700 2.551 36 1HB GLN 5 2HB GLN 5 -0.534 -14.755 4.962 37 2HB GLN 5 3HB GLN 5 -1.190 -14.217 3.409 38 1HG GLN 5 2HG GLN 5 0.494 -16.689 3.961 39 2HG GLN 5 3HG GLN 5 -1.187 -16.635 3.427 40 1HE2 GLN 5 1HE2 GLN 5 1.524 -17.690 2.247 41 2HE2 GLN 5 2HE2 GLN 5 1.711 -16.930 0.698 42 H LYS 6 H LYS 6 -0.023 -11.677 2.663 43 HA LYS 6 HA LYS 6 -0.022 -10.305 5.274 44 1HB LYS 6 2HB LYS 6 1.186 -8.399 4.545 45 2HB LYS 6 3HB LYS 6 2.184 -9.832 4.331 46 1HG LYS 6 2HG LYS 6 2.601 -8.800 2.364 47 2HG LYS 6 3HG LYS 6 1.265 -9.814 1.838 48 1HD LYS 6 2HD LYS 6 -0.261 -7.966 1.756 49 2HD LYS 6 3HD LYS 6 0.715 -6.996 2.870 50 1HE LYS 6 2HE LYS 6 2.493 -6.843 1.167 51 2HE LYS 6 3HE LYS 6 1.521 -7.793 0.047 52 1HZ LYS 6 1HZ LYS 6 0.431 -5.309 1.186 53 2HZ LYS 6 2HZ LYS 6 1.474 -5.237 -0.085 54 3HZ LYS 6 3HZ LYS 6 0.083 -6.066 -0.253 55 H GLU 7 H GLU 7 -1.527 -8.720 5.387 56 HA GLU 7 HA GLU 7 -3.653 -8.766 3.361 57 1HB GLU 7 2HB GLU 7 -4.831 -7.345 5.019 58 2HB GLU 7 3HB GLU 7 -4.410 -8.939 5.646 59 1HG GLU 7 2HG GLU 7 -2.705 -6.492 6.228 60 2HG GLU 7 3HG GLU 7 -4.116 -6.929 7.180 61 H ILE 8 H ILE 8 -4.284 -6.969 2.219 62 HA ILE 8 HA ILE 8 -3.150 -4.355 2.998 63 HB ILE 8 HB ILE 8 -1.645 -4.949 1.288 64 1HG1 ILE 8 2HG1 ILE 8 -3.635 -3.089 -0.031 65 2HG1 ILE 8 3HG1 ILE 8 -2.590 -2.629 1.317 66 1HG2 ILE 8 1HG2 ILE 8 -2.356 -5.511 -1.025 67 2HG2 ILE 8 2HG2 ILE 8 -2.785 -6.742 0.164 68 3HG2 ILE 8 3HG2 ILE 8 -4.022 -5.646 -0.491 69 1HD1 ILE 8 1HD1 ILE 8 -1.592 -1.896 -0.744 70 2HD1 ILE 8 2HD1 ILE 8 -0.593 -3.197 -0.067 71 3HD1 ILE 8 3HD1 ILE 8 -1.662 -3.505 -1.455 72 H ALA 9 H ALA 9 -4.879 -3.227 3.543 73 HA ALA 9 HA ALA 9 -7.498 -3.597 2.184 74 1HB ALA 9 1HB ALA 9 -8.323 -2.188 4.032 75 2HB ALA 9 2HB ALA 9 -7.496 -3.633 4.652 76 3HB ALA 9 3HB ALA 9 -6.676 -2.059 4.681 77 H MET 10 H MET 10 -8.117 -2.030 0.666 78 HA MET 10 HA MET 10 -7.120 0.707 0.989 79 1HB MET 10 2HB MET 10 -6.431 -0.951 -1.474 80 2HB MET 10 3HB MET 10 -6.622 0.799 -1.555 81 1HG MET 10 2HG MET 10 -4.917 0.898 0.409 82 2HG MET 10 3HG MET 10 -4.477 -0.733 -0.098 83 1HE MET 10 1HE MET 10 -3.231 0.049 -3.792 84 2HE MET 10 2HE MET 10 -3.428 -1.227 -2.568 85 3HE MET 10 3HE MET 10 -4.860 -0.459 -3.303 86 H GLN 11 H GLN 11 -8.176 2.169 -0.554 87 HA GLN 11 HA GLN 11 -11.032 1.463 -0.933 88 1HB GLN 11 2HB GLN 11 -10.144 3.464 0.537 89 2HB GLN 11 3HB GLN 11 -9.869 4.262 -1.014 90 1HG GLN 11 2HG GLN 11 -12.336 3.671 -1.558 91 2HG GLN 11 3HG GLN 11 -12.457 3.208 0.147 92 1HE2 GLN 11 1HE2 GLN 11 -12.664 4.774 1.739 93 2HE2 GLN 11 2HE2 GLN 11 -12.767 6.483 1.357 94 H VAL 12 H VAL 12 -11.540 0.943 -3.048 95 HA VAL 12 HA VAL 12 -10.042 2.192 -5.258 96 HB VAL 12 HB VAL 12 -9.546 -0.226 -5.003 97 1HG1 VAL 12 1HG1 VAL 12 -11.204 -1.935 -5.379 98 2HG1 VAL 12 2HG1 VAL 12 -11.762 -0.959 -4.013 99 3HG1 VAL 12 3HG1 VAL 12 -12.480 -0.741 -5.630 100 1HG2 VAL 12 1HG2 VAL 12 -10.110 -0.880 -7.271 101 2HG2 VAL 12 2HG2 VAL 12 -11.269 0.437 -7.413 102 3HG2 VAL 12 3HG2 VAL 12 -9.535 0.793 -7.218 103 H SER 13 H SER 13 -11.296 2.897 -7.036 104 HA SER 13 HA SER 13 -14.076 3.585 -6.289 105 1HB SER 13 2HB SER 13 -12.483 4.424 -8.701 106 2HB SER 13 3HB SER 13 -13.884 5.236 -7.997 107 HG SER 13 HG SER 13 -12.482 5.441 -6.042 108 H GLY 14 H GLY 14 -15.547 3.754 -8.336 109 1HA GLY 14 2HA GLY 14 -16.579 2.844 -10.165 110 2HA GLY 14 3HA GLY 14 -15.200 1.782 -10.443 111 H MET 15 H MET 15 -16.307 1.607 -7.224 112 HA MET 15 HA MET 15 -17.560 -1.005 -7.586 113 1HB MET 15 2HB MET 15 -16.832 0.731 -5.233 114 2HB MET 15 3HB MET 15 -18.120 -0.465 -5.021 115 1HG MET 15 2HG MET 15 -16.744 -2.221 -5.940 116 2HG MET 15 3HG MET 15 -15.350 -1.135 -6.037 117 1HE MET 15 1HE MET 15 -14.025 -0.349 -4.045 118 2HE MET 15 2HE MET 15 -15.422 0.470 -3.330 119 3HE MET 15 3HE MET 15 -14.402 -0.618 -2.342 120 H THR 16 H THR 16 -19.039 -0.093 -9.235 121 HA THR 16 HA THR 16 -21.339 1.338 -8.670 122 HB THR 16 HB THR 16 -21.226 -1.277 -10.241 123 HG1 THR 16 1HG THR 16 -20.412 1.331 -11.005 124 1HG2 THR 16 1HG2 THR 16 -22.832 -0.121 -11.728 125 2HG2 THR 16 2HG2 THR 16 -23.476 -0.294 -10.086 126 3HG2 THR 16 3HG2 THR 16 -22.854 1.277 -10.631 127 H CYS 17 H CYS 17 -20.586 -2.067 -7.859 128 HA CYS 17 HA CYS 17 -22.073 -2.227 -5.573 129 1HB CYS 17 2HB CYS 17 -24.023 -2.117 -7.611 130 2HB CYS 17 3HB CYS 17 -23.849 -3.834 -7.362 131 HG CYS 17 HG CYS 17 -24.065 -3.648 -4.674 132 H ALA 18 H ALA 18 -23.007 -4.899 -5.619 133 HA ALA 18 HA ALA 18 -20.609 -6.438 -5.414 134 1HB ALA 18 1HB ALA 18 -22.616 -6.707 -3.955 135 2HB ALA 18 2HB ALA 18 -23.550 -7.254 -5.356 136 3HB ALA 18 3HB ALA 18 -22.179 -8.219 -4.772 137 H ALA 19 H ALA 19 -20.114 -5.818 -7.763 138 HA ALA 19 HA ALA 19 -20.398 -8.182 -9.456 139 1HB ALA 19 1HB ALA 19 -21.370 -6.933 -11.375 140 2HB ALA 19 2HB ALA 19 -22.511 -7.077 -10.026 141 3HB ALA 19 3HB ALA 19 -21.669 -5.539 -10.314 142 H CYS 20 H CYS 20 -19.666 -4.676 -9.401 143 HA CYS 20 HA CYS 20 -17.512 -4.692 -11.248 144 1HB CYS 20 2HB CYS 20 -18.523 -2.835 -9.065 145 2HB CYS 20 3HB CYS 20 -16.939 -2.534 -9.776 146 HG CYS 20 HG CYS 20 -18.587 -1.007 -11.036 147 H ALA 21 H ALA 21 -17.409 -4.549 -7.648 148 HA ALA 21 HA ALA 21 -14.611 -5.120 -7.515 149 1HB ALA 21 1HB ALA 21 -15.835 -4.133 -5.649 150 2HB ALA 21 2HB ALA 21 -16.712 -5.666 -5.394 151 3HB ALA 21 3HB ALA 21 -14.930 -5.581 -5.251 152 H ALA 22 H ALA 22 -17.487 -7.268 -7.329 153 HA ALA 22 HA ALA 22 -16.180 -9.666 -6.768 154 1HB ALA 22 1HB ALA 22 -18.649 -9.398 -6.884 155 2HB ALA 22 2HB ALA 22 -18.540 -9.321 -8.659 156 3HB ALA 22 3HB ALA 22 -18.068 -10.799 -7.807 157 H ARG 23 H ARG 23 -16.542 -8.043 -9.960 158 HA ARG 23 HA ARG 23 -15.320 -10.070 -11.517 159 1HB ARG 23 2HB ARG 23 -16.035 -7.177 -11.806 160 2HB ARG 23 3HB ARG 23 -14.632 -7.651 -12.740 161 1HG ARG 23 2HG ARG 23 -17.341 -9.046 -12.808 162 2HG ARG 23 3HG ARG 23 -16.767 -7.855 -13.977 163 1HD ARG 23 2HD ARG 23 -14.652 -9.769 -13.818 164 2HD ARG 23 3HD ARG 23 -16.110 -10.724 -13.699 165 HE ARG 23 HE ARG 23 -16.543 -10.353 -15.923 166 1HH1 ARG 23 2HH2 ARG 23 -14.428 -7.791 -14.786 167 2HH1 ARG 23 1HH2 ARG 23 -14.138 -7.079 -16.342 168 1HH2 ARG 23 2HH1 ARG 23 -16.212 -9.440 -18.038 169 2HH2 ARG 23 1HH1 ARG 23 -15.194 -8.054 -18.237 170 H ILE 24 H ILE 24 -13.941 -7.242 -9.767 171 HA ILE 24 HA ILE 24 -11.262 -7.628 -10.644 172 HB ILE 24 HB ILE 24 -12.370 -6.354 -8.116 173 1HG1 ILE 24 2HG1 ILE 24 -11.186 -4.961 -10.543 174 2HG1 ILE 24 3HG1 ILE 24 -12.898 -5.372 -10.554 175 1HG2 ILE 24 1HG2 ILE 24 -10.203 -5.287 -7.941 176 2HG2 ILE 24 2HG2 ILE 24 -10.101 -7.033 -7.762 177 3HG2 ILE 24 3HG2 ILE 24 -9.607 -6.283 -9.301 178 1HD1 ILE 24 1HD1 ILE 24 -11.850 -3.831 -8.180 179 2HD1 ILE 24 2HD1 ILE 24 -12.128 -3.015 -9.719 180 3HD1 ILE 24 3HD1 ILE 24 -13.462 -3.851 -8.925 181 H GLU 25 H GLU 25 -12.841 -8.628 -7.510 182 HA GLU 25 HA GLU 25 -10.660 -10.097 -6.596 183 1HB GLU 25 2HB GLU 25 -13.585 -10.738 -6.043 184 2HB GLU 25 3HB GLU 25 -12.173 -11.121 -5.035 185 1HG GLU 25 2HG GLU 25 -13.316 -8.355 -5.560 186 2HG GLU 25 3HG GLU 25 -13.239 -9.243 -4.052 187 H LYS 26 H LYS 26 -13.399 -11.277 -8.585 188 HA LYS 26 HA LYS 26 -12.519 -13.966 -8.723 189 1HB LYS 26 2HB LYS 26 -14.834 -12.962 -9.152 190 2HB LYS 26 3HB LYS 26 -14.244 -12.564 -10.769 191 1HG LYS 26 2HG LYS 26 -13.564 -15.311 -10.231 192 2HG LYS 26 3HG LYS 26 -15.151 -15.078 -9.536 193 1HD LYS 26 2HD LYS 26 -15.525 -15.850 -11.761 194 2HD LYS 26 3HD LYS 26 -15.999 -14.155 -11.692 195 1HE LYS 26 2HE LYS 26 -14.782 -14.702 -13.769 196 2HE LYS 26 3HE LYS 26 -13.920 -13.475 -12.834 197 1HZ LYS 26 1HZ LYS 26 -12.511 -15.256 -13.727 198 2HZ LYS 26 2HZ LYS 26 -12.383 -15.084 -12.101 199 3HZ LYS 26 3HZ LYS 26 -13.252 -16.343 -12.737 200 H GLY 27 H GLY 27 -11.401 -11.100 -10.365 201 1HA GLY 27 2HA GLY 27 -9.932 -12.553 -12.472 202 2HA GLY 27 3HA GLY 27 -9.920 -10.820 -12.106 203 H LEU 28 H LEU 28 -9.400 -10.998 -9.281 204 HA LEU 28 HA LEU 28 -6.548 -11.190 -9.353 205 1HB LEU 28 2HB LEU 28 -8.590 -10.433 -7.376 206 2HB LEU 28 3HB LEU 28 -7.179 -11.212 -6.687 207 HG LEU 28 HG LEU 28 -7.148 -8.562 -8.272 208 1HD1 LEU 28 1HD1 LEU 28 -6.356 -9.367 -5.511 209 2HD1 LEU 28 2HD1 LEU 28 -6.545 -7.716 -6.180 210 3HD1 LEU 28 3HD1 LEU 28 -7.967 -8.738 -5.926 211 1HD2 LEU 28 1HD2 LEU 28 -4.759 -8.546 -7.770 212 2HD2 LEU 28 2HD2 LEU 28 -4.811 -10.243 -7.243 213 3HD2 LEU 28 3HD2 LEU 28 -5.083 -9.783 -8.940 214 H LYS 29 H LYS 29 -9.072 -13.336 -8.062 215 HA LYS 29 HA LYS 29 -7.391 -15.348 -7.013 216 1HB LYS 29 2HB LYS 29 -10.240 -15.251 -7.952 217 2HB LYS 29 3HB LYS 29 -9.468 -16.833 -7.963 218 1HG LYS 29 2HG LYS 29 -10.438 -16.745 -5.845 219 2HG LYS 29 3HG LYS 29 -8.721 -16.479 -5.594 220 1HD LYS 29 2HD LYS 29 -9.504 -14.774 -4.257 221 2HD LYS 29 3HD LYS 29 -9.411 -13.909 -5.785 222 1HE LYS 29 2HE LYS 29 -11.542 -13.311 -5.127 223 2HE LYS 29 3HE LYS 29 -11.917 -14.724 -6.111 224 1HZ LYS 29 1HZ LYS 29 -11.739 -14.531 -3.163 225 2HZ LYS 29 2HZ LYS 29 -13.079 -14.819 -4.051 226 3HZ LYS 29 3HZ LYS 29 -11.910 -15.973 -3.953 227 H ARG 30 H ARG 30 -7.555 -14.416 -10.333 228 HA ARG 30 HA ARG 30 -6.855 -16.952 -11.478 229 1HB ARG 30 2HB ARG 30 -7.511 -14.556 -12.514 230 2HB ARG 30 3HB ARG 30 -5.770 -14.346 -12.533 231 1HG ARG 30 2HG ARG 30 -6.343 -15.207 -14.658 232 2HG ARG 30 3HG ARG 30 -5.759 -16.644 -13.803 233 1HD ARG 30 2HD ARG 30 -8.191 -17.244 -13.298 234 2HD ARG 30 3HD ARG 30 -8.686 -15.753 -14.075 235 HE ARG 30 HE ARG 30 -8.472 -16.661 -16.135 236 1HH1 ARG 30 2HH2 ARG 30 -6.707 -18.705 -13.875 237 2HH1 ARG 30 1HH2 ARG 30 -6.534 -20.049 -14.958 238 1HH2 ARG 30 2HH1 ARG 30 -8.245 -18.406 -17.629 239 2HH2 ARG 30 1HH1 ARG 30 -7.412 -19.852 -17.165 240 H MET 31 H MET 31 -5.080 -14.623 -9.522 241 HA MET 31 HA MET 31 -2.429 -15.538 -10.364 242 1HB MET 31 2HB MET 31 -3.450 -13.685 -8.188 243 2HB MET 31 3HB MET 31 -1.743 -14.039 -8.396 244 1HG MET 31 2HG MET 31 -3.215 -13.058 -10.838 245 2HG MET 31 3HG MET 31 -2.965 -11.943 -9.513 246 1HE MET 31 1HE MET 31 0.154 -13.236 -12.534 247 2HE MET 31 2HE MET 31 -1.072 -14.400 -11.978 248 3HE MET 31 3HE MET 31 -1.571 -12.887 -12.782 249 HA PRO 32 HA PRO 32 -2.294 -18.818 -7.338 250 1HB PRO 32 2HB PRO 32 0.399 -19.171 -6.988 251 2HB PRO 32 3HB PRO 32 -0.464 -19.614 -8.489 252 1HG PRO 32 2HG PRO 32 1.113 -17.092 -7.933 253 2HG PRO 32 3HG PRO 32 1.200 -18.145 -9.368 254 1HD PRO 32 2HD PRO 32 -0.295 -15.855 -9.334 255 2HD PRO 32 3HD PRO 32 -0.846 -17.314 -10.215 256 H GLY 33 H GLY 33 -0.198 -15.950 -6.608 257 1HA GLY 33 2HA GLY 33 0.250 -16.619 -3.919 258 2HA GLY 33 3HA GLY 33 0.448 -15.019 -4.643 259 H VAL 34 H VAL 34 -2.474 -15.095 -5.476 260 HA VAL 34 HA VAL 34 -3.668 -13.713 -3.287 261 HB VAL 34 HB VAL 34 -4.719 -14.901 -5.852 262 1HG1 VAL 34 1HG1 VAL 34 -6.293 -13.698 -3.555 263 2HG1 VAL 34 2HG1 VAL 34 -6.880 -13.702 -5.238 264 3HG1 VAL 34 3HG1 VAL 34 -6.591 -15.231 -4.403 265 1HG2 VAL 34 1HG2 VAL 34 -3.412 -12.758 -5.866 266 2HG2 VAL 34 2HG2 VAL 34 -5.104 -12.499 -6.314 267 3HG2 VAL 34 3HG2 VAL 34 -4.554 -12.071 -4.690 268 H THR 35 H THR 35 -3.879 -14.551 -1.369 269 HA THR 35 HA THR 35 -4.525 -17.413 -1.070 270 HB THR 35 HB THR 35 -3.590 -15.293 0.876 271 HG1 THR 35 1HG THR 35 -2.076 -16.222 -0.611 272 1HG2 THR 35 1HG2 THR 35 -4.283 -18.230 1.340 273 2HG2 THR 35 2HG2 THR 35 -3.381 -17.204 2.473 274 3HG2 THR 35 3HG2 THR 35 -5.073 -16.830 2.105 275 H ASP 36 H ASP 36 -5.752 -14.128 -0.132 276 HA ASP 36 HA ASP 36 -8.466 -15.191 -0.399 277 1HB ASP 36 2HB ASP 36 -7.519 -15.473 2.075 278 2HB ASP 36 3HB ASP 36 -7.877 -13.746 2.198 279 H ALA 37 H ALA 37 -9.470 -13.721 -1.643 280 HA ALA 37 HA ALA 37 -8.571 -10.856 -1.606 281 1HB ALA 37 1HB ALA 37 -7.861 -12.091 -3.654 282 2HB ALA 37 2HB ALA 37 -9.579 -12.392 -4.009 283 3HB ALA 37 3HB ALA 37 -8.943 -10.745 -3.973 284 H ASN 38 H ASN 38 -10.152 -9.565 -0.804 285 HA ASN 38 HA ASN 38 -13.001 -10.350 -1.108 286 1HB ASN 38 2HB ASN 38 -11.572 -9.592 1.487 287 2HB ASN 38 3HB ASN 38 -13.322 -9.761 1.295 288 1HD2 ASN 38 1HD2 ASN 38 -10.242 -11.519 1.383 289 2HD2 ASN 38 2HD2 ASN 38 -10.955 -13.129 1.404 290 H VAL 39 H VAL 39 -14.440 -8.536 -0.464 291 HA VAL 39 HA VAL 39 -13.305 -5.868 -0.528 292 HB VAL 39 HB VAL 39 -13.252 -6.474 -2.886 293 1HG1 VAL 39 1HG1 VAL 39 -16.270 -6.744 -2.976 294 2HG1 VAL 39 2HG1 VAL 39 -15.048 -7.337 -4.121 295 3HG1 VAL 39 3HG1 VAL 39 -15.277 -8.159 -2.607 296 1HG2 VAL 39 1HG2 VAL 39 -15.568 -4.554 -2.531 297 2HG2 VAL 39 2HG2 VAL 39 -13.957 -4.154 -1.922 298 3HG2 VAL 39 3HG2 VAL 39 -14.169 -4.446 -3.631 299 H ASN 40 H ASN 40 -14.299 -4.795 0.883 300 HA ASN 40 HA ASN 40 -16.987 -5.526 1.836 301 1HB ASN 40 2HB ASN 40 -15.022 -5.110 3.350 302 2HB ASN 40 3HB ASN 40 -15.017 -3.419 2.829 303 1HD2 ASN 40 1HD2 ASN 40 -15.408 -4.269 5.525 304 2HD2 ASN 40 2HD2 ASN 40 -17.056 -3.877 5.986 305 H LEU 41 H LEU 41 -18.075 -4.888 -0.130 306 HA LEU 41 HA LEU 41 -17.820 -2.279 -1.258 307 1HB LEU 41 2HB LEU 41 -19.579 -2.799 -2.660 308 2HB LEU 41 3HB LEU 41 -18.753 -4.323 -2.386 309 HG LEU 41 HG LEU 41 -20.820 -4.188 -0.405 310 1HD1 LEU 41 1HD1 LEU 41 -21.860 -3.409 -3.166 311 2HD1 LEU 41 2HD1 LEU 41 -22.841 -3.787 -1.736 312 3HD1 LEU 41 3HD1 LEU 41 -21.826 -2.336 -1.752 313 1HD2 LEU 41 1HD2 LEU 41 -20.058 -6.236 -1.473 314 2HD2 LEU 41 2HD2 LEU 41 -21.807 -6.040 -1.693 315 3HD2 LEU 41 3HD2 LEU 41 -20.696 -5.686 -3.038 316 H ALA 42 H ALA 42 -19.407 -3.341 1.620 317 HA ALA 42 HA ALA 42 -21.512 -1.392 1.705 318 1HB ALA 42 1HB ALA 42 -20.147 -2.826 4.024 319 2HB ALA 42 2HB ALA 42 -21.717 -2.016 4.051 320 3HB ALA 42 3HB ALA 42 -21.498 -3.483 3.073 321 H THR 43 H THR 43 -18.082 -1.428 2.657 322 HA THR 43 HA THR 43 -18.279 1.464 3.453 323 HB THR 43 HB THR 43 -16.194 0.930 4.751 324 HG1 THR 43 1HG THR 43 -15.812 -1.314 5.087 325 1HG2 THR 43 1HG2 THR 43 -17.343 -0.214 6.592 326 2HG2 THR 43 2HG2 THR 43 -18.436 0.963 5.839 327 3HG2 THR 43 3HG2 THR 43 -18.624 -0.769 5.495 328 H GLU 44 H GLU 44 -17.766 -0.115 0.748 329 HA GLU 44 HA GLU 44 -16.278 -0.211 -0.941 330 1HB GLU 44 2HB GLU 44 -16.110 2.739 -0.190 331 2HB GLU 44 3HB GLU 44 -15.376 2.068 -1.646 332 1HG GLU 44 2HG GLU 44 -17.597 1.190 -2.368 333 2HG GLU 44 3HG GLU 44 -18.332 1.964 -0.953 334 H THR 45 H THR 45 -14.889 -1.642 0.618 335 HA THR 45 HA THR 45 -12.143 -0.466 0.478 336 HB THR 45 HB THR 45 -13.496 -1.644 2.922 337 HG1 THR 45 1HG THR 45 -13.353 0.741 2.199 338 1HG2 THR 45 1HG2 THR 45 -11.244 -1.448 3.999 339 2HG2 THR 45 2HG2 THR 45 -11.330 -2.718 2.762 340 3HG2 THR 45 3HG2 THR 45 -10.540 -1.165 2.390 341 H VAL 46 H VAL 46 -10.985 -1.749 -0.785 342 HA VAL 46 HA VAL 46 -11.766 -4.578 -1.223 343 HB VAL 46 HB VAL 46 -11.355 -3.352 -3.226 344 1HG1 VAL 46 1HG1 VAL 46 -9.945 -1.488 -2.553 345 2HG1 VAL 46 2HG1 VAL 46 -8.618 -2.584 -2.106 346 3HG1 VAL 46 3HG1 VAL 46 -9.113 -2.419 -3.794 347 1HG2 VAL 46 1HG2 VAL 46 -8.943 -5.096 -2.644 348 2HG2 VAL 46 2HG2 VAL 46 -10.565 -5.705 -3.043 349 3HG2 VAL 46 3HG2 VAL 46 -9.658 -4.750 -4.229 350 H ASN 47 H ASN 47 -10.577 -6.208 -0.267 351 HA ASN 47 HA ASN 47 -8.139 -5.437 1.223 352 1HB ASN 47 2HB ASN 47 -9.834 -5.382 2.916 353 2HB ASN 47 3HB ASN 47 -10.499 -6.939 2.366 354 1HD2 ASN 47 1HD2 ASN 47 -7.278 -5.574 3.409 355 2HD2 ASN 47 2HD2 ASN 47 -6.901 -6.981 4.384 356 H VAL 48 H VAL 48 -6.595 -6.650 0.496 357 HA VAL 48 HA VAL 48 -7.274 -9.353 -0.618 358 HB VAL 48 HB VAL 48 -5.020 -7.701 -1.724 359 1HG1 VAL 48 1HG1 VAL 48 -5.206 -9.193 -3.565 360 2HG1 VAL 48 2HG1 VAL 48 -5.449 -10.254 -2.167 361 3HG1 VAL 48 3HG1 VAL 48 -6.841 -9.709 -3.101 362 1HG2 VAL 48 1HG2 VAL 48 -6.549 -7.016 -3.593 363 2HG2 VAL 48 2HG2 VAL 48 -7.932 -7.557 -2.618 364 3HG2 VAL 48 3HG2 VAL 48 -6.906 -6.210 -2.062 365 H ILE 49 H ILE 49 -6.058 -10.989 0.058 366 HA ILE 49 HA ILE 49 -3.682 -10.442 1.736 367 HB ILE 49 HB ILE 49 -5.810 -12.571 2.113 368 1HG1 ILE 49 2HG1 ILE 49 -4.780 -10.670 4.220 369 2HG1 ILE 49 3HG1 ILE 49 -5.987 -10.080 3.070 370 1HG2 ILE 49 1HG2 ILE 49 -3.086 -12.256 3.469 371 2HG2 ILE 49 2HG2 ILE 49 -4.366 -13.343 4.035 372 3HG2 ILE 49 3HG2 ILE 49 -3.603 -13.622 2.474 373 1HD1 ILE 49 1HD1 ILE 49 -7.553 -11.827 3.712 374 2HD1 ILE 49 2HD1 ILE 49 -6.373 -12.507 4.860 375 3HD1 ILE 49 3HD1 ILE 49 -7.040 -10.882 5.122 376 H TYR 50 H TYR 50 -1.881 -11.258 0.772 377 HA TYR 50 HA TYR 50 -2.063 -13.701 -0.827 378 1HB TYR 50 2HB TYR 50 -1.200 -12.566 -2.916 379 2HB TYR 50 3HB TYR 50 -2.809 -12.016 -2.457 380 HD1 TYR 50 HD1 TYR 50 -3.319 -9.840 -1.848 381 HD2 TYR 50 HD2 TYR 50 0.779 -10.980 -2.495 382 HE1 TYR 50 HE1 TYR 50 -2.694 -7.481 -2.041 383 HE2 TYR 50 HE2 TYR 50 1.459 -8.599 -2.340 384 HH TYR 50 HH TYR 50 -0.869 -5.992 -2.326 385 H ASP 51 H ASP 51 0.007 -14.219 -1.858 386 HA ASP 51 HA ASP 51 2.024 -14.124 0.138 387 1HB ASP 51 2HB ASP 51 1.373 -16.010 -1.503 388 2HB ASP 51 3HB ASP 51 2.404 -15.187 -2.686 389 HA PRO 52 HA PRO 52 3.757 -10.395 -1.796 390 1HB PRO 52 2HB PRO 52 5.467 -9.576 0.148 391 2HB PRO 52 3HB PRO 52 3.708 -9.648 0.435 392 1HG PRO 52 2HG PRO 52 5.772 -11.753 1.182 393 2HG PRO 52 3HG PRO 52 4.537 -11.026 2.248 394 1HD PRO 52 2HD PRO 52 4.228 -13.397 0.874 395 2HD PRO 52 3HD PRO 52 2.841 -12.337 1.303 396 H ALA 53 H ALA 53 4.689 -13.025 -2.641 397 HA ALA 53 HA ALA 53 7.345 -12.283 -3.634 398 1HB ALA 53 1HB ALA 53 7.896 -13.225 -1.375 399 2HB ALA 53 2HB ALA 53 7.041 -14.723 -1.830 400 3HB ALA 53 3HB ALA 53 8.515 -14.241 -2.694 401 H GLU 54 H GLU 54 4.651 -13.121 -4.532 402 HA GLU 54 HA GLU 54 5.635 -14.820 -6.738 403 1HB GLU 54 2HB GLU 54 2.920 -15.112 -5.337 404 2HB GLU 54 3HB GLU 54 3.312 -15.767 -6.932 405 1HG GLU 54 2HG GLU 54 5.255 -17.008 -5.780 406 2HG GLU 54 3HG GLU 54 4.453 -16.598 -4.251 407 H THR 55 H THR 55 3.077 -12.607 -5.446 408 HA THR 55 HA THR 55 2.155 -12.006 -8.146 409 HB THR 55 HB THR 55 1.153 -11.698 -5.293 410 HG1 THR 55 1HG THR 55 1.312 -13.801 -6.419 411 1HG2 THR 55 1HG2 THR 55 0.123 -9.919 -6.684 412 2HG2 THR 55 2HG2 THR 55 -0.258 -11.166 -7.898 413 3HG2 THR 55 3HG2 THR 55 -0.969 -11.271 -6.260 414 H GLY 56 H GLY 56 2.078 -9.823 -5.305 415 1HA GLY 56 2HA GLY 56 3.873 -8.228 -4.898 416 2HA GLY 56 3HA GLY 56 4.027 -7.977 -6.640 417 H THR 57 H THR 57 2.715 -6.739 -3.945 418 HA THR 57 HA THR 57 0.276 -5.682 -4.206 419 HB THR 57 HB THR 57 1.775 -5.113 -2.455 420 HG1 THR 57 1HG THR 57 1.487 -2.587 -2.961 421 1HG2 THR 57 1HG2 THR 57 3.302 -3.263 -4.307 422 2HG2 THR 57 2HG2 THR 57 3.579 -3.599 -2.591 423 3HG2 THR 57 3HG2 THR 57 3.833 -4.880 -3.785 424 H ALA 58 H ALA 58 2.991 -4.424 -6.146 425 HA ALA 58 HA ALA 58 1.462 -2.449 -7.513 426 1HB ALA 58 1HB ALA 58 4.010 -3.880 -8.391 427 2HB ALA 58 2HB ALA 58 3.369 -2.369 -9.070 428 3HB ALA 58 3HB ALA 58 3.926 -2.415 -7.385 429 H ALA 59 H ALA 59 1.975 -5.941 -8.194 430 HA ALA 59 HA ALA 59 0.784 -5.778 -10.851 431 1HB ALA 59 1HB ALA 59 0.800 -8.184 -10.774 432 2HB ALA 59 2HB ALA 59 2.388 -7.534 -10.304 433 3HB ALA 59 3HB ALA 59 1.277 -8.175 -9.063 434 H ILE 60 H ILE 60 -0.294 -6.457 -7.500 435 HA ILE 60 HA ILE 60 -2.931 -7.351 -8.132 436 HB ILE 60 HB ILE 60 -2.319 -5.555 -5.811 437 1HG1 ILE 60 2HG1 ILE 60 -0.669 -7.598 -5.918 438 2HG1 ILE 60 3HG1 ILE 60 -1.485 -7.158 -4.439 439 1HG2 ILE 60 1HG2 ILE 60 -4.644 -5.963 -6.016 440 2HG2 ILE 60 2HG2 ILE 60 -4.351 -7.709 -5.859 441 3HG2 ILE 60 3HG2 ILE 60 -3.955 -6.643 -4.524 442 1HD1 ILE 60 1HD1 ILE 60 -2.426 -9.354 -6.308 443 2HD1 ILE 60 2HD1 ILE 60 -1.400 -9.573 -4.863 444 3HD1 ILE 60 3HD1 ILE 60 -3.050 -9.004 -4.675 445 H GLN 61 H GLN 61 -1.654 -4.048 -7.372 446 HA GLN 61 HA GLN 61 -4.121 -2.807 -8.050 447 1HB GLN 61 2HB GLN 61 -3.242 -0.798 -7.519 448 2HB GLN 61 3HB GLN 61 -2.277 -1.919 -6.568 449 1HG GLN 61 2HG GLN 61 -0.636 -0.525 -7.275 450 2HG GLN 61 3HG GLN 61 -0.575 -1.675 -8.601 451 1HE2 GLN 61 1HE2 GLN 61 -1.200 1.655 -7.709 452 2HE2 GLN 61 2HE2 GLN 61 -1.624 2.160 -9.333 453 H GLU 62 H GLU 62 -1.252 -3.554 -10.099 454 HA GLU 62 HA GLU 62 -2.128 -2.198 -12.412 455 1HB GLU 62 2HB GLU 62 0.098 -3.400 -12.154 456 2HB GLU 62 3HB GLU 62 -0.777 -4.928 -12.365 457 1HG GLU 62 2HG GLU 62 -1.645 -3.958 -14.587 458 2HG GLU 62 3HG GLU 62 -0.467 -2.660 -14.368 459 H LYS 63 H LYS 63 -3.073 -5.393 -11.060 460 HA LYS 63 HA LYS 63 -4.542 -6.235 -13.271 461 1HB LYS 63 2HB LYS 63 -3.954 -7.225 -10.659 462 2HB LYS 63 3HB LYS 63 -5.704 -7.201 -10.750 463 1HG LYS 63 2HG LYS 63 -3.771 -8.581 -12.673 464 2HG LYS 63 3HG LYS 63 -4.752 -9.323 -11.413 465 1HD LYS 63 2HD LYS 63 -6.174 -9.760 -13.075 466 2HD LYS 63 3HD LYS 63 -6.759 -8.128 -12.694 467 1HE LYS 63 2HE LYS 63 -5.847 -7.202 -14.652 468 2HE LYS 63 3HE LYS 63 -4.579 -8.433 -14.790 469 1HZ LYS 63 1HZ LYS 63 -7.436 -8.818 -15.355 470 2HZ LYS 63 2HZ LYS 63 -6.243 -8.629 -16.464 471 3HZ LYS 63 3HZ LYS 63 -6.260 -9.967 -15.509 472 H ILE 64 H ILE 64 -5.455 -4.369 -10.357 473 HA ILE 64 HA ILE 64 -8.229 -4.236 -10.958 474 HB ILE 64 HB ILE 64 -6.615 -2.206 -9.371 475 1HG1 ILE 64 2HG1 ILE 64 -8.103 -4.644 -8.307 476 2HG1 ILE 64 3HG1 ILE 64 -6.366 -4.607 -8.529 477 1HG2 ILE 64 1HG2 ILE 64 -9.163 -2.430 -8.314 478 2HG2 ILE 64 2HG2 ILE 64 -8.670 -1.198 -9.499 479 3HG2 ILE 64 3HG2 ILE 64 -9.498 -2.693 -10.000 480 1HD1 ILE 64 1HD1 ILE 64 -7.930 -2.856 -6.611 481 2HD1 ILE 64 2HD1 ILE 64 -6.774 -4.140 -6.247 482 3HD1 ILE 64 3HD1 ILE 64 -6.215 -2.635 -7.001 483 H GLU 65 H GLU 65 -5.459 -2.046 -11.788 484 HA GLU 65 HA GLU 65 -7.207 -0.180 -13.129 485 1HB GLU 65 2HB GLU 65 -4.202 -0.502 -13.459 486 2HB GLU 65 3HB GLU 65 -5.219 0.808 -14.085 487 1HG GLU 65 2HG GLU 65 -6.042 0.876 -11.503 488 2HG GLU 65 3HG GLU 65 -4.417 0.228 -11.243 489 H LYS 66 H LYS 66 -5.308 -2.904 -14.362 490 HA LYS 66 HA LYS 66 -5.913 -2.842 -17.092 491 1HB LYS 66 2HB LYS 66 -5.473 -5.068 -15.182 492 2HB LYS 66 3HB LYS 66 -5.775 -5.372 -16.898 493 1HG LYS 66 2HG LYS 66 -3.691 -3.299 -16.140 494 2HG LYS 66 3HG LYS 66 -3.364 -4.993 -15.874 495 1HD LYS 66 2HD LYS 66 -3.932 -5.458 -18.301 496 2HD LYS 66 3HD LYS 66 -4.008 -3.692 -18.540 497 1HE LYS 66 2HE LYS 66 -1.631 -3.574 -17.576 498 2HE LYS 66 3HE LYS 66 -1.636 -5.343 -17.512 499 1HZ LYS 66 1HZ LYS 66 -1.850 -3.751 -19.969 500 2HZ LYS 66 2HZ LYS 66 -0.515 -4.535 -19.409 501 3HZ LYS 66 3HZ LYS 66 -1.831 -5.401 -19.878 502 H LEU 67 H LEU 67 -7.848 -4.157 -14.339 503 HA LEU 67 HA LEU 67 -10.038 -5.132 -15.924 504 1HB LEU 67 2HB LEU 67 -9.589 -4.471 -13.019 505 2HB LEU 67 3HB LEU 67 -11.221 -4.698 -13.578 506 HG LEU 67 HG LEU 67 -9.672 -6.634 -12.560 507 1HD1 LEU 67 1HD1 LEU 67 -11.942 -6.981 -14.550 508 2HD1 LEU 67 2HD1 LEU 67 -11.398 -8.193 -13.367 509 3HD1 LEU 67 3HD1 LEU 67 -12.105 -6.671 -12.808 510 1HD2 LEU 67 1HD2 LEU 67 -8.215 -6.738 -14.611 511 2HD2 LEU 67 2HD2 LEU 67 -9.042 -8.249 -14.178 512 3HD2 LEU 67 3HD2 LEU 67 -9.639 -7.278 -15.532 513 H GLY 68 H GLY 68 -9.132 -1.872 -15.297 514 1HA GLY 68 2HA GLY 68 -10.086 -0.097 -16.433 515 2HA GLY 68 3HA GLY 68 -11.616 -0.963 -16.624 516 H TYR 69 H TYR 69 -9.640 -0.390 -13.706 517 HA TYR 69 HA TYR 69 -11.740 1.388 -12.533 518 1HB TYR 69 2HB TYR 69 -10.312 -0.923 -11.193 519 2HB TYR 69 3HB TYR 69 -11.371 0.216 -10.369 520 HD1 TYR 69 HD1 TYR 69 -13.777 0.029 -10.514 521 HD2 TYR 69 HD2 TYR 69 -11.255 -2.535 -12.846 522 HE1 TYR 69 HE1 TYR 69 -15.770 -1.215 -11.283 523 HE2 TYR 69 HE2 TYR 69 -13.272 -3.814 -13.605 524 HH TYR 69 HH TYR 69 -16.557 -2.865 -12.671 525 H HIS 70 H HIS 70 -10.659 2.304 -10.328 526 HA HIS 70 HA HIS 70 -7.802 2.846 -10.666 527 1HB HIS 70 2HB HIS 70 -9.977 4.874 -11.113 528 2HB HIS 70 3HB HIS 70 -8.649 5.381 -10.089 529 HD1 HIS 70 1HD HIS 70 -6.123 4.201 -11.623 530 HD2 HIS 70 2HD HIS 70 -9.492 6.025 -13.410 531 HE1 HIS 70 1HE HIS 70 -5.349 5.168 -13.822 532 H VAL 71 H VAL 71 -6.814 3.433 -8.772 533 HA VAL 71 HA VAL 71 -8.317 2.778 -6.298 534 HB VAL 71 HB VAL 71 -6.081 2.291 -5.407 535 1HG1 VAL 71 1HG1 VAL 71 -5.713 0.182 -6.632 536 2HG1 VAL 71 2HG1 VAL 71 -7.420 0.466 -6.269 537 3HG1 VAL 71 3HG1 VAL 71 -6.802 0.735 -7.917 538 1HG2 VAL 71 1HG2 VAL 71 -4.696 3.721 -6.950 539 2HG2 VAL 71 2HG2 VAL 71 -4.131 2.054 -6.842 540 3HG2 VAL 71 3HG2 VAL 71 -5.035 2.578 -8.266 541 H VAL 72 H VAL 72 -8.312 4.133 -4.506 542 HA VAL 72 HA VAL 72 -7.719 6.955 -5.166 543 HB VAL 72 HB VAL 72 -8.959 5.672 -2.712 544 1HG1 VAL 72 1HG1 VAL 72 -9.915 7.967 -2.345 545 2HG1 VAL 72 2HG1 VAL 72 -8.156 7.999 -2.238 546 3HG1 VAL 72 3HG1 VAL 72 -8.958 8.572 -3.710 547 1HG2 VAL 72 1HG2 VAL 72 -11.120 6.440 -3.686 548 2HG2 VAL 72 2HG2 VAL 72 -10.266 6.908 -5.169 549 3HG2 VAL 72 3HG2 VAL 72 -10.348 5.203 -4.677 550 H THR 73 H THR 73 -5.383 6.008 -5.383 551 HA THR 73 HA THR 73 -3.981 6.030 -2.741 552 HB THR 73 HB THR 73 -2.960 4.585 -5.196 553 HG1 THR 73 1HG THR 73 -5.019 3.891 -3.417 554 1HG2 THR 73 1HG2 THR 73 -1.820 3.226 -3.577 555 2HG2 THR 73 2HG2 THR 73 -1.522 4.913 -3.134 556 3HG2 THR 73 3HG2 THR 73 -2.734 3.947 -2.237 557 H GLU 74 H GLU 74 -2.147 7.337 -2.566 558 HA GLU 74 HA GLU 74 -1.457 9.011 -4.929 559 1HB GLU 74 2HB GLU 74 -2.219 9.884 -2.105 560 2HB GLU 74 3HB GLU 74 -1.307 10.922 -3.208 561 1HG GLU 74 2HG GLU 74 -4.050 9.772 -3.877 562 2HG GLU 74 3HG GLU 74 -3.764 11.383 -3.204 563 H LYS 75 H LYS 75 0.593 9.700 -5.002 564 HA LYS 75 HA LYS 75 2.565 8.269 -3.286 565 1HB LYS 75 2HB LYS 75 4.047 8.214 -4.988 566 2HB LYS 75 3HB LYS 75 2.485 7.796 -5.701 567 1HG LYS 75 2HG LYS 75 2.363 10.251 -6.481 568 2HG LYS 75 3HG LYS 75 4.069 10.343 -5.995 569 1HD LYS 75 2HD LYS 75 4.205 8.059 -7.421 570 2HD LYS 75 3HD LYS 75 2.804 8.781 -8.235 571 1HE LYS 75 2HE LYS 75 4.188 10.857 -8.650 572 2HE LYS 75 3HE LYS 75 5.555 10.083 -7.825 573 1HZ LYS 75 1HZ LYS 75 4.303 9.141 -10.315 574 2HZ LYS 75 2HZ LYS 75 5.777 9.859 -10.165 575 3HZ LYS 75 3HZ LYS 75 5.522 8.370 -9.517 576 H ALA 76 H ALA 76 2.667 9.444 -1.540 577 HA ALA 76 HA ALA 76 3.245 12.395 -1.773 578 1HB ALA 76 1HB ALA 76 1.558 11.846 -0.139 579 2HB ALA 76 2HB ALA 76 2.621 10.652 0.634 580 3HB ALA 76 3HB ALA 76 3.028 12.380 0.699 581 H GLU 77 H GLU 77 5.191 13.272 -0.740 582 HA GLU 77 HA GLU 77 7.438 11.328 -0.393 583 1HB GLU 77 2HB GLU 77 7.174 13.906 -1.880 584 2HB GLU 77 3HB GLU 77 8.634 13.728 -0.913 585 1HG GLU 77 2HG GLU 77 7.916 11.363 -2.620 586 2HG GLU 77 3HG GLU 77 8.442 12.834 -3.429 587 H PHE 78 H PHE 78 7.994 11.109 1.639 588 HA PHE 78 HA PHE 78 7.772 13.445 3.507 589 1HB PHE 78 2HB PHE 78 7.499 10.481 4.046 590 2HB PHE 78 3HB PHE 78 7.537 11.735 5.287 591 HD1 PHE 78 1HD PHE 78 5.628 13.584 3.235 592 HD2 PHE 78 2HD PHE 78 5.385 9.783 5.275 593 HE1 PHE 78 1HE PHE 78 3.206 13.595 2.943 594 HE2 PHE 78 2HE PHE 78 2.917 9.862 5.053 595 HZ PHE 78 HZ PHE 78 1.849 11.678 3.717 596 H ASP 79 H ASP 79 9.498 13.909 4.693 597 HA ASP 79 HA ASP 79 12.118 12.907 3.758 598 1HB ASP 79 2HB ASP 79 11.853 15.308 3.714 599 2HB ASP 79 3HB ASP 79 11.064 15.335 5.301 600 H ILE 80 H ILE 80 13.535 11.788 5.258 601 HA ILE 80 HA ILE 80 12.234 11.046 7.843 602 HB ILE 80 HB ILE 80 14.355 9.407 6.553 603 1HG1 ILE 80 2HG1 ILE 80 11.517 9.546 5.457 604 2HG1 ILE 80 3HG1 ILE 80 13.039 9.862 4.602 605 1HG2 ILE 80 1HG2 ILE 80 13.378 8.881 8.765 606 2HG2 ILE 80 2HG2 ILE 80 11.789 8.668 7.993 607 3HG2 ILE 80 3HG2 ILE 80 13.145 7.587 7.589 608 1HD1 ILE 80 1HD1 ILE 80 12.647 7.796 3.903 609 2HD1 ILE 80 2HD1 ILE 80 13.697 7.472 5.280 610 3HD1 ILE 80 3HD1 ILE 80 11.927 7.262 5.448 611 H GLU 81 H GLU 81 13.310 11.467 9.683 612 HA GLU 81 HA GLU 81 16.233 12.156 9.531 613 1HB GLU 81 2HB GLU 81 14.201 13.102 11.558 614 2HB GLU 81 3HB GLU 81 15.914 13.545 11.480 615 1HG GLU 81 2HG GLU 81 15.508 14.635 9.287 616 2HG GLU 81 3HG GLU 81 13.810 14.142 9.344 617 H GLY 82 H GLY 82 17.299 10.341 10.116 618 1HA GLY 82 2HA GLY 82 17.094 9.082 12.608 619 2HA GLY 82 3HA GLY 82 16.003 8.216 11.503 620 H MET 83 H MET 83 17.152 7.913 9.122 621 HA MET 83 HA MET 83 19.150 6.082 9.579 622 1HB MET 83 2HB MET 83 19.452 5.993 7.192 623 2HB MET 83 3HB MET 83 17.727 6.255 7.478 624 1HG MET 83 2HG MET 83 19.593 8.600 6.926 625 2HG MET 83 3HG MET 83 19.006 7.593 5.627 626 1HE MET 83 1HE MET 83 17.113 7.959 4.359 627 2HE MET 83 2HE MET 83 16.095 7.117 5.560 628 3HE MET 83 3HE MET 83 15.594 8.687 4.867 629 H THR 84 H THR 84 21.271 5.948 8.877 630 HA THR 84 HA THR 84 22.888 8.463 8.962 631 HB THR 84 HB THR 84 24.608 6.978 10.080 632 HG1 THR 84 1HG THR 84 23.599 5.094 11.115 633 1HG2 THR 84 1HG2 THR 84 23.155 8.568 11.355 634 2HG2 THR 84 2HG2 THR 84 21.974 7.271 11.612 635 3HG2 THR 84 3HG2 THR 84 23.601 7.143 12.310 636 H CYS 85 H CYS 85 22.804 5.012 8.027 637 HA CYS 85 HA CYS 85 23.592 5.301 5.370 638 1HB CYS 85 2HB CYS 85 25.802 6.197 6.359 639 2HB CYS 85 3HB CYS 85 26.052 4.573 7.026 640 HG CYS 85 HG CYS 85 27.383 5.090 4.770 641 H ALA 86 H ALA 86 24.100 3.428 8.337 642 HA ALA 86 HA ALA 86 24.753 0.965 7.550 643 1HB ALA 86 1HB ALA 86 22.713 1.664 9.707 644 2HB ALA 86 2HB ALA 86 23.540 0.097 9.548 645 3HB ALA 86 3HB ALA 86 24.474 1.567 9.876 646 H ALA 87 H ALA 87 21.269 1.306 8.270 647 HA ALA 87 HA ALA 87 20.335 0.516 5.674 648 1HB ALA 87 1HB ALA 87 20.421 -1.674 7.803 649 2HB ALA 87 2HB ALA 87 19.518 -1.780 6.281 650 3HB ALA 87 3HB ALA 87 21.270 -1.702 6.244 651 H CYS 88 H CYS 88 19.726 2.510 7.906 652 HA CYS 88 HA CYS 88 17.470 1.565 9.376 653 1HB CYS 88 2HB CYS 88 18.391 4.342 8.653 654 2HB CYS 88 3HB CYS 88 17.213 3.980 9.928 655 HG CYS 88 HG CYS 88 18.819 2.577 11.415 656 H ALA 89 H ALA 89 17.894 3.670 6.502 657 HA ALA 89 HA ALA 89 15.171 4.129 5.911 658 1HB ALA 89 1HB ALA 89 15.858 4.842 3.785 659 2HB ALA 89 2HB ALA 89 17.282 5.159 4.796 660 3HB ALA 89 3HB ALA 89 17.221 3.730 3.733 661 H ASN 90 H ASN 90 17.312 1.388 5.116 662 HA ASN 90 HA ASN 90 15.481 0.105 3.345 663 1HB ASN 90 2HB ASN 90 17.792 -1.115 4.890 664 2HB ASN 90 3HB ASN 90 16.902 -1.884 3.572 665 1HD2 ASN 90 1HD2 ASN 90 19.015 -2.073 2.451 666 2HD2 ASN 90 2HD2 ASN 90 19.634 -0.657 1.623 667 H ARG 91 H ARG 91 16.154 -0.332 6.836 668 HA ARG 91 HA ARG 91 14.221 -2.397 7.342 669 1HB ARG 91 2HB ARG 91 15.736 -0.378 8.949 670 2HB ARG 91 3HB ARG 91 14.197 -0.874 9.633 671 1HG ARG 91 2HG ARG 91 16.054 -2.169 10.490 672 2HG ARG 91 3HG ARG 91 14.821 -3.177 9.745 673 1HD ARG 91 2HD ARG 91 17.160 -2.335 8.027 674 2HD ARG 91 3HD ARG 91 17.468 -3.468 9.357 675 HE ARG 91 HE ARG 91 15.186 -4.316 7.839 676 1HH1 ARG 91 2HH2 ARG 91 18.696 -4.173 7.650 677 2HH1 ARG 91 1HH2 ARG 91 18.891 -5.696 6.840 678 1HH2 ARG 91 2HH1 ARG 91 15.390 -6.375 6.787 679 2HH2 ARG 91 1HH1 ARG 91 16.947 -6.958 6.308 680 H ILE 92 H ILE 92 13.916 1.197 7.593 681 HA ILE 92 HA ILE 92 11.130 1.022 8.194 682 HB ILE 92 HB ILE 92 11.011 3.424 7.878 683 1HG1 ILE 92 2HG1 ILE 92 13.354 4.545 7.511 684 2HG1 ILE 92 3HG1 ILE 92 13.561 3.074 6.551 685 1HG2 ILE 92 1HG2 ILE 92 12.357 3.998 9.685 686 2HG2 ILE 92 2HG2 ILE 92 12.153 2.251 9.912 687 3HG2 ILE 92 3HG2 ILE 92 13.655 2.874 9.241 688 1HD1 ILE 92 1HD1 ILE 92 11.351 5.149 6.241 689 2HD1 ILE 92 2HD1 ILE 92 12.788 5.010 5.205 690 3HD1 ILE 92 3HD1 ILE 92 11.555 3.735 5.187 691 H GLU 93 H GLU 93 12.810 1.041 5.034 692 HA GLU 93 HA GLU 93 10.571 1.493 3.412 693 1HB GLU 93 2HB GLU 93 12.915 1.407 2.583 694 2HB GLU 93 3HB GLU 93 12.999 -0.314 2.893 695 1HG GLU 93 2HG GLU 93 10.620 0.473 1.320 696 2HG GLU 93 3HG GLU 93 12.161 0.891 0.571 697 H LYS 94 H LYS 94 12.086 -1.623 4.466 698 HA LYS 94 HA LYS 94 10.055 -3.243 3.381 699 1HB LYS 94 2HB LYS 94 12.149 -3.669 5.521 700 2HB LYS 94 3HB LYS 94 10.827 -4.831 5.388 701 1HG LYS 94 2HG LYS 94 12.476 -5.741 4.026 702 2HG LYS 94 3HG LYS 94 11.288 -5.047 2.926 703 1HD LYS 94 2HD LYS 94 12.916 -2.951 2.881 704 2HD LYS 94 3HD LYS 94 14.065 -4.039 3.653 705 1HE LYS 94 2HE LYS 94 14.574 -4.392 1.397 706 2HE LYS 94 3HE LYS 94 13.395 -5.684 1.659 707 1HZ LYS 94 1HZ LYS 94 12.596 -4.610 -0.247 708 2HZ LYS 94 2HZ LYS 94 11.799 -3.657 0.878 709 3HZ LYS 94 3HZ LYS 94 13.138 -3.139 0.258 710 H ARG 95 H ARG 95 9.943 -1.340 6.282 711 HA ARG 95 HA ARG 95 7.446 -2.610 7.249 712 1HB ARG 95 2HB ARG 95 9.017 -0.144 7.988 713 2HB ARG 95 3HB ARG 95 7.387 -0.378 8.602 714 1HG ARG 95 2HG ARG 95 9.487 -2.588 8.786 715 2HG ARG 95 3HG ARG 95 9.440 -1.278 9.935 716 1HD ARG 95 2HD ARG 95 7.835 -2.345 11.136 717 2HD ARG 95 3HD ARG 95 6.737 -2.130 9.797 718 HE ARG 95 HE ARG 95 6.902 -4.317 9.243 719 1HH1 ARG 95 2HH2 ARG 95 9.640 -3.481 11.275 720 2HH1 ARG 95 1HH2 ARG 95 10.121 -5.113 11.631 721 1HH2 ARG 95 2HH1 ARG 95 7.510 -6.526 9.642 722 2HH2 ARG 95 1HH1 ARG 95 8.901 -6.890 10.610 723 H LEU 96 H LEU 96 8.112 0.683 5.962 724 HA LEU 96 HA LEU 96 5.443 1.436 5.584 725 1HB LEU 96 2HB LEU 96 7.888 2.384 4.105 726 2HB LEU 96 3HB LEU 96 6.277 3.112 4.052 727 HG LEU 96 HG LEU 96 8.183 3.020 6.431 728 1HD1 LEU 96 1HD1 LEU 96 7.814 5.431 6.348 729 2HD1 LEU 96 2HD1 LEU 96 8.340 4.834 4.770 730 3HD1 LEU 96 3HD1 LEU 96 6.625 5.228 5.039 731 1HD2 LEU 96 1HD2 LEU 96 6.122 2.421 7.490 732 2HD2 LEU 96 2HD2 LEU 96 6.361 4.152 7.737 733 3HD2 LEU 96 3HD2 LEU 96 5.215 3.593 6.502 734 H ASN 97 H ASN 97 7.515 -0.305 3.391 735 HA ASN 97 HA ASN 97 6.418 -0.599 0.997 736 1HB ASN 97 2HB ASN 97 8.264 -1.956 2.160 737 2HB ASN 97 3HB ASN 97 6.998 -3.049 2.710 738 1HD2 ASN 97 1HD2 ASN 97 9.394 -2.492 0.405 739 2HD2 ASN 97 2HD2 ASN 97 8.683 -3.419 -0.917 740 H LYS 98 H LYS 98 4.921 -1.958 3.952 741 HA LYS 98 HA LYS 98 2.308 -1.804 2.820 742 1HB LYS 98 2HB LYS 98 1.698 -4.224 2.949 743 2HB LYS 98 3HB LYS 98 2.642 -3.716 1.580 744 1HG LYS 98 2HG LYS 98 3.975 -5.487 2.031 745 2HG LYS 98 3HG LYS 98 4.699 -4.474 3.235 746 1HD LYS 98 2HD LYS 98 2.343 -5.718 4.422 747 2HD LYS 98 3HD LYS 98 3.277 -6.959 3.613 748 1HE LYS 98 2HE LYS 98 4.381 -4.982 5.668 749 2HE LYS 98 3HE LYS 98 3.878 -6.640 6.002 750 1HZ LYS 98 1HZ LYS 98 6.238 -6.464 5.689 751 2HZ LYS 98 2HZ LYS 98 5.598 -7.384 4.482 752 3HZ LYS 98 3HZ LYS 98 6.064 -5.826 4.193 753 H ILE 99 H ILE 99 2.631 -0.435 4.806 754 HA ILE 99 HA ILE 99 2.423 -1.753 7.395 755 HB ILE 99 HB ILE 99 1.695 1.010 6.384 756 1HG1 ILE 99 2HG1 ILE 99 4.097 0.247 6.683 757 2HG1 ILE 99 3HG1 ILE 99 3.621 1.756 7.481 758 1HG2 ILE 99 1HG2 ILE 99 0.099 0.690 8.144 759 2HG2 ILE 99 2HG2 ILE 99 1.299 -0.089 9.191 760 3HG2 ILE 99 3HG2 ILE 99 1.425 1.643 8.808 761 1HD1 ILE 99 1HD1 ILE 99 5.093 0.391 8.889 762 2HD1 ILE 99 2HD1 ILE 99 3.509 0.570 9.649 763 3HD1 ILE 99 3HD1 ILE 99 3.946 -0.958 8.848 764 H GLU 100 H GLU 100 -0.094 -0.040 5.553 765 HA GLU 100 HA GLU 100 -1.890 -2.363 5.771 766 1HB GLU 100 2HB GLU 100 -2.440 0.428 6.852 767 2HB GLU 100 3HB GLU 100 -3.781 -0.562 6.241 768 1HG GLU 100 2HG GLU 100 -1.919 -1.576 8.401 769 2HG GLU 100 3HG GLU 100 -3.418 -0.693 8.700 770 H GLY 101 H GLY 101 -3.315 0.591 4.672 771 1HA GLY 101 2HA GLY 101 -3.390 -0.444 2.002 772 2HA GLY 101 3HA GLY 101 -4.118 1.066 2.620 773 H VAL 102 H VAL 102 -0.849 -0.242 2.250 774 HA VAL 102 HA VAL 102 0.027 2.185 0.743 775 HB VAL 102 HB VAL 102 1.775 0.218 2.235 776 1HG1 VAL 102 1HG1 VAL 102 3.389 2.201 1.951 777 2HG1 VAL 102 2HG1 VAL 102 2.980 1.290 0.487 778 3HG1 VAL 102 3HG1 VAL 102 2.231 2.868 0.811 779 1HG2 VAL 102 1HG2 VAL 102 0.826 2.963 3.141 780 2HG2 VAL 102 2HG2 VAL 102 0.356 1.414 3.864 781 3HG2 VAL 102 3HG2 VAL 102 2.040 1.954 3.945 782 H ALA 103 H ALA 103 0.225 1.902 -1.370 783 HA ALA 103 HA ALA 103 0.123 -0.746 -2.593 784 1HB ALA 103 1HB ALA 103 -0.986 1.077 -3.722 785 2HB ALA 103 2HB ALA 103 0.504 2.046 -3.719 786 3HB ALA 103 3HB ALA 103 0.403 0.572 -4.703 787 H ASN 104 H ASN 104 2.510 1.925 -2.143 788 HA ASN 104 HA ASN 104 4.738 0.019 -2.241 789 1HB ASN 104 2HB ASN 104 4.515 2.258 -4.314 790 2HB ASN 104 3HB ASN 104 5.971 1.334 -3.976 791 1HD2 ASN 104 1HD2 ASN 104 3.208 1.457 -5.940 792 2HD2 ASN 104 2HD2 ASN 104 3.370 -0.168 -6.611 793 H ALA 105 H ALA 105 6.820 1.268 -1.874 794 HA ALA 105 HA ALA 105 6.568 3.869 -0.680 795 1HB ALA 105 1HB ALA 105 5.611 2.530 1.159 796 2HB ALA 105 2HB ALA 105 7.129 1.611 1.248 797 3HB ALA 105 3HB ALA 105 7.114 3.344 1.621 798 HA PRO 106 HA PRO 106 10.864 2.407 -1.912 799 1HB PRO 106 2HB PRO 106 11.428 4.106 -3.993 800 2HB PRO 106 3HB PRO 106 10.556 2.557 -4.177 801 1HG PRO 106 2HG PRO 106 9.398 5.326 -3.954 802 2HG PRO 106 3HG PRO 106 8.951 4.052 -5.119 803 1HD PRO 106 2HD PRO 106 7.487 4.504 -2.849 804 2HD PRO 106 3HD PRO 106 7.731 2.860 -3.496 805 H VAL 107 H VAL 107 12.696 3.261 -1.039 806 HA VAL 107 HA VAL 107 12.558 5.957 0.191 807 HB VAL 107 HB VAL 107 14.206 5.182 1.766 808 1HG1 VAL 107 1HG1 VAL 107 11.868 3.234 1.578 809 2HG1 VAL 107 2HG1 VAL 107 12.814 3.641 3.031 810 3HG1 VAL 107 3HG1 VAL 107 11.817 4.865 2.253 811 1HG2 VAL 107 1HG2 VAL 107 14.878 2.817 1.927 812 2HG2 VAL 107 2HG2 VAL 107 14.061 2.457 0.397 813 3HG2 VAL 107 3HG2 VAL 107 15.467 3.542 0.431 814 H ASN 108 H ASN 108 14.280 7.395 0.034 815 HA ASN 108 HA ASN 108 16.158 6.931 -2.244 816 1HB ASN 108 2HB ASN 108 14.873 9.397 -1.048 817 2HB ASN 108 3HB ASN 108 16.230 9.436 -2.181 818 1HD2 ASN 108 1HD2 ASN 108 15.462 10.073 -4.182 819 2HD2 ASN 108 2HD2 ASN 108 14.022 9.393 -4.925 820 H PHE 109 H PHE 109 18.241 6.850 -1.741 821 HA PHE 109 HA PHE 109 19.154 7.510 0.973 822 1HB PHE 109 2HB PHE 109 19.842 5.568 -0.993 823 2HB PHE 109 3HB PHE 109 21.228 6.642 -0.889 824 HD1 PHE 109 1HD PHE 109 18.752 4.854 1.281 825 HD2 PHE 109 2HD PHE 109 22.788 6.324 0.885 826 HE1 PHE 109 1HE PHE 109 19.319 3.900 3.463 827 HE2 PHE 109 2HE PHE 109 23.381 5.277 3.035 828 HZ PHE 109 HZ PHE 109 21.638 4.056 4.353 829 H ALA 110 H ALA 110 18.929 9.223 -1.944 830 HA ALA 110 HA ALA 110 21.386 10.834 -1.502 831 1HB ALA 110 1HB ALA 110 19.216 10.994 -3.636 832 2HB ALA 110 2HB ALA 110 20.715 11.943 -3.583 833 3HB ALA 110 3HB ALA 110 20.790 10.182 -3.799 834 H LEU 111 H LEU 111 17.854 11.016 -1.340 835 HA LEU 111 HA LEU 111 17.915 13.871 -0.560 836 1HB LEU 111 2HB LEU 111 15.518 12.102 -1.086 837 2HB LEU 111 3HB LEU 111 15.612 13.874 -1.115 838 HG LEU 111 HG LEU 111 16.754 11.896 -3.127 839 1HD1 LEU 111 1HD1 LEU 111 14.601 14.038 -3.363 840 2HD1 LEU 111 2HD1 LEU 111 15.127 12.926 -4.643 841 3HD1 LEU 111 3HD1 LEU 111 14.309 12.296 -3.200 842 1HD2 LEU 111 1HD2 LEU 111 18.325 13.819 -2.951 843 2HD2 LEU 111 2HD2 LEU 111 17.407 13.911 -4.458 844 3HD2 LEU 111 3HD2 LEU 111 16.966 14.953 -3.089 845 H GLU 112 H GLU 112 17.763 10.779 0.956 846 HA GLU 112 HA GLU 112 16.906 9.938 2.839 847 1HB GLU 112 2HB GLU 112 17.518 12.748 3.844 848 2HB GLU 112 3HB GLU 112 16.999 11.427 4.892 849 1HG GLU 112 2HG GLU 112 18.879 10.034 4.189 850 2HG GLU 112 3HG GLU 112 19.442 11.293 3.068 851 H THR 113 H THR 113 15.031 10.292 1.027 852 HA THR 113 HA THR 113 12.667 11.129 2.629 853 HB THR 113 HB THR 113 11.436 11.658 0.670 854 HG1 THR 113 1HG THR 113 11.932 11.013 -1.211 855 1HG2 THR 113 1HG2 THR 113 12.658 13.574 -0.221 856 2HG2 THR 113 2HG2 THR 113 12.869 13.451 1.556 857 3HG2 THR 113 3HG2 THR 113 14.174 12.965 0.470 858 H VAL 114 H VAL 114 10.811 9.916 2.266 859 HA VAL 114 HA VAL 114 11.121 7.408 0.747 860 HB VAL 114 HB VAL 114 10.943 6.701 3.056 861 1HG1 VAL 114 1HG1 VAL 114 8.270 8.134 3.256 862 2HG1 VAL 114 2HG1 VAL 114 9.071 7.143 4.484 863 3HG1 VAL 114 3HG1 VAL 114 9.777 8.694 4.009 864 1HG2 VAL 114 1HG2 VAL 114 9.211 5.115 2.776 865 2HG2 VAL 114 2HG2 VAL 114 8.248 6.204 1.761 866 3HG2 VAL 114 3HG2 VAL 114 9.751 5.490 1.145 867 H THR 115 H THR 115 9.780 7.293 -0.905 868 HA THR 115 HA THR 115 7.562 9.250 -1.127 869 HB THR 115 HB THR 115 8.552 7.058 -2.958 870 HG1 THR 115 1HG THR 115 9.498 9.513 -2.554 871 1HG2 THR 115 1HG2 THR 115 6.447 9.216 -3.418 872 2HG2 THR 115 2HG2 THR 115 7.073 8.098 -4.651 873 3HG2 THR 115 3HG2 THR 115 6.135 7.471 -3.285 874 H VAL 116 H VAL 116 5.614 8.562 -0.227 875 HA VAL 116 HA VAL 116 5.245 5.668 0.420 876 HB VAL 116 HB VAL 116 5.421 7.112 2.394 877 1HG1 VAL 116 1HG1 VAL 116 3.726 8.680 3.005 878 2HG1 VAL 116 2HG1 VAL 116 4.452 9.230 1.489 879 3HG1 VAL 116 3HG1 VAL 116 2.843 8.465 1.504 880 1HG2 VAL 116 1HG2 VAL 116 4.108 5.064 2.500 881 2HG2 VAL 116 2HG2 VAL 116 3.342 6.324 3.481 882 3HG2 VAL 116 3HG2 VAL 116 2.674 5.915 1.893 883 H GLU 117 H GLU 117 3.864 4.717 -0.984 884 HA GLU 117 HA GLU 117 1.993 6.442 -2.523 885 1HB GLU 117 2HB GLU 117 4.005 5.059 -3.551 886 2HB GLU 117 3HB GLU 117 2.961 3.669 -3.297 887 1HG GLU 117 2HG GLU 117 1.440 5.755 -4.632 888 2HG GLU 117 3HG GLU 117 3.009 5.531 -5.437 889 H TYR 118 H TYR 118 0.190 6.408 -1.212 890 HA TYR 118 HA TYR 118 -0.907 3.781 -0.438 891 1HB TYR 118 2HB TYR 118 -0.707 4.017 1.850 892 2HB TYR 118 3HB TYR 118 0.846 4.633 1.325 893 HD1 TYR 118 HD1 TYR 118 -1.959 5.153 3.404 894 HD2 TYR 118 HD2 TYR 118 0.804 7.340 0.922 895 HE1 TYR 118 HE1 TYR 118 -2.396 7.197 4.716 896 HE2 TYR 118 HE2 TYR 118 0.383 9.377 2.243 897 HH TYR 118 HH TYR 118 -0.890 10.328 3.922 898 H ASN 119 H ASN 119 -2.859 4.056 0.949 899 HA ASN 119 HA ASN 119 -4.641 5.813 -0.585 900 1HB ASN 119 2HB ASN 119 -4.799 3.291 -0.335 901 2HB ASN 119 3HB ASN 119 -5.425 3.566 1.287 902 1HD2 ASN 119 1HD2 ASN 119 -6.291 3.009 -1.835 903 2HD2 ASN 119 2HD2 ASN 119 -7.846 3.804 -1.926 904 HA PRO 120 HA PRO 120 -4.440 8.185 3.312 905 1HB PRO 120 2HB PRO 120 -5.145 10.644 2.442 906 2HB PRO 120 3HB PRO 120 -3.610 9.886 1.937 907 1HG PRO 120 2HG PRO 120 -6.240 9.859 0.415 908 2HG PRO 120 3HG PRO 120 -4.645 10.398 -0.190 909 1HD PRO 120 2HD PRO 120 -5.562 7.880 -0.609 910 2HD PRO 120 3HD PRO 120 -3.833 8.195 -0.278 911 H LYS 121 H LYS 121 -7.022 6.770 1.975 912 HA LYS 121 HA LYS 121 -9.038 8.112 3.733 913 1HB LYS 121 2HB LYS 121 -9.487 5.928 1.669 914 2HB LYS 121 3HB LYS 121 -10.687 6.918 2.501 915 1HG LYS 121 2HG LYS 121 -8.662 7.859 0.413 916 2HG LYS 121 3HG LYS 121 -10.395 7.650 0.191 917 1HD LYS 121 2HD LYS 121 -10.808 9.375 1.980 918 2HD LYS 121 3HD LYS 121 -9.055 9.662 2.054 919 1HE LYS 121 2HE LYS 121 -9.068 10.241 -0.386 920 2HE LYS 121 3HE LYS 121 -10.831 10.057 -0.399 921 1HZ LYS 121 1HZ LYS 121 -10.172 12.342 -0.124 922 2HZ LYS 121 2HZ LYS 121 -10.954 11.828 1.230 923 3HZ LYS 121 3HZ LYS 121 -9.315 11.990 1.235 924 H GLU 122 H GLU 122 -7.242 5.125 3.036 925 HA GLU 122 HA GLU 122 -8.659 3.573 5.028 926 1HB GLU 122 2HB GLU 122 -7.550 2.865 2.766 927 2HB GLU 122 3HB GLU 122 -6.035 2.830 3.683 928 1HG GLU 122 2HG GLU 122 -8.588 1.312 4.438 929 2HG GLU 122 3HG GLU 122 -7.279 0.638 3.470 930 H ALA 123 H ALA 123 -5.430 5.102 4.656 931 HA ALA 123 HA ALA 123 -5.110 5.090 7.641 932 1HB ALA 123 1HB ALA 123 -2.921 4.656 5.572 933 2HB ALA 123 2HB ALA 123 -2.708 4.742 7.335 934 3HB ALA 123 3HB ALA 123 -3.616 3.403 6.619 935 H SER 124 H SER 124 -3.054 6.815 7.978 936 HA SER 124 HA SER 124 -3.213 9.090 6.179 937 1HB SER 124 2HB SER 124 -4.477 9.183 8.954 938 2HB SER 124 3HB SER 124 -3.934 10.636 8.096 939 HG SER 124 HG SER 124 -5.555 8.923 6.628 940 H VAL 125 H VAL 125 -1.671 10.724 6.846 941 HA VAL 125 HA VAL 125 0.805 9.710 7.284 942 HB VAL 125 HB VAL 125 0.035 12.551 8.103 943 1HG1 VAL 125 1HG1 VAL 125 2.335 12.103 8.632 944 2HG1 VAL 125 2HG1 VAL 125 2.599 11.230 7.118 945 3HG1 VAL 125 3HG1 VAL 125 2.357 12.984 7.105 946 1HG2 VAL 125 1HG2 VAL 125 0.416 11.309 5.368 947 2HG2 VAL 125 2HG2 VAL 125 -0.958 12.280 5.937 948 3HG2 VAL 125 3HG2 VAL 125 0.595 13.056 5.651 949 H SER 126 H SER 126 -1.325 10.875 9.922 950 HA SER 126 HA SER 126 0.445 10.806 12.048 951 1HB SER 126 2HB SER 126 -2.428 9.797 12.053 952 2HB SER 126 3HB SER 126 -1.531 10.505 13.412 953 HG SER 126 HG SER 126 -2.888 12.045 12.287 954 H ASP 127 H ASP 127 -1.191 8.030 10.458 955 HA ASP 127 HA ASP 127 -0.503 6.023 12.383 956 1HB ASP 127 2HB ASP 127 -2.256 5.633 10.756 957 2HB ASP 127 3HB ASP 127 -1.124 5.867 9.407 958 H LEU 128 H LEU 128 0.905 7.146 9.362 959 HA LEU 128 HA LEU 128 3.099 5.358 9.197 960 1HB LEU 128 2HB LEU 128 2.592 8.080 7.985 961 2HB LEU 128 3HB LEU 128 3.998 7.107 7.568 962 HG LEU 128 HG LEU 128 1.227 5.908 7.472 963 1HD1 LEU 128 1HD1 LEU 128 1.150 6.477 5.035 964 2HD1 LEU 128 2HD1 LEU 128 0.957 7.852 6.128 965 3HD1 LEU 128 3HD1 LEU 128 2.521 7.580 5.315 966 1HD2 LEU 128 1HD2 LEU 128 3.141 4.356 7.219 967 2HD2 LEU 128 2HD2 LEU 128 2.223 4.470 5.716 968 3HD2 LEU 128 3HD2 LEU 128 3.759 5.345 5.872 969 H LYS 129 H LYS 129 2.788 8.631 10.546 970 HA LYS 129 HA LYS 129 5.488 8.877 11.440 971 1HB LYS 129 2HB LYS 129 2.935 10.198 12.357 972 2HB LYS 129 3HB LYS 129 4.543 10.594 13.013 973 1HG LYS 129 2HG LYS 129 5.326 10.918 10.609 974 2HG LYS 129 3HG LYS 129 3.656 10.845 10.100 975 1HD LYS 129 2HD LYS 129 4.973 12.911 11.947 976 2HD LYS 129 3HD LYS 129 4.568 13.111 10.251 977 1HE LYS 129 2HE LYS 129 2.848 14.248 11.337 978 2HE LYS 129 3HE LYS 129 2.111 12.715 10.853 979 1HZ LYS 129 1HZ LYS 129 3.121 13.387 13.543 980 2HZ LYS 129 2HZ LYS 129 1.540 13.278 13.093 981 3HZ LYS 129 3HZ LYS 129 2.485 11.933 13.119 982 H GLU 130 H GLU 130 2.546 7.532 13.168 983 HA GLU 130 HA GLU 130 3.967 6.966 15.557 984 1HB GLU 130 2HB GLU 130 1.390 6.742 14.768 985 2HB GLU 130 3HB GLU 130 1.844 5.043 14.621 986 1HG GLU 130 2HG GLU 130 2.164 6.821 17.092 987 2HG GLU 130 3HG GLU 130 0.843 5.700 16.769 988 H ALA 131 H ALA 131 3.496 5.064 12.571 989 HA ALA 131 HA ALA 131 4.691 2.665 13.424 990 1HB ALA 131 1HB ALA 131 4.613 3.848 10.610 991 2HB ALA 131 2HB ALA 131 4.918 2.154 11.034 992 3HB ALA 131 3HB ALA 131 3.334 2.882 11.373 993 H VAL 132 H VAL 132 6.221 5.452 11.593 994 HA VAL 132 HA VAL 132 8.740 4.179 11.620 995 HB VAL 132 HB VAL 132 7.791 5.990 10.088 996 1HG1 VAL 132 1HG1 VAL 132 7.227 7.619 11.759 997 2HG1 VAL 132 2HG1 VAL 132 8.917 7.792 12.288 998 3HG1 VAL 132 3HG1 VAL 132 8.416 8.316 10.695 999 1HG2 VAL 132 1HG2 VAL 132 10.023 5.046 9.854 1000 2HG2 VAL 132 2HG2 VAL 132 10.085 6.787 9.554 1001 3HG2 VAL 132 3HG2 VAL 132 10.647 6.139 11.110 1002 H ASP 133 H ASP 133 7.095 6.397 13.905 1003 HA ASP 133 HA ASP 133 9.266 6.911 15.562 1004 1HB ASP 133 2HB ASP 133 6.414 7.231 15.783 1005 2HB ASP 133 3HB ASP 133 6.960 6.418 17.236 1006 H LYS 134 H LYS 134 7.019 4.172 15.544 1007 HA LYS 134 HA LYS 134 8.321 2.674 17.578 1008 1HB LYS 134 2HB LYS 134 6.032 2.420 15.950 1009 2HB LYS 134 3HB LYS 134 6.974 0.984 15.561 1010 1HG LYS 134 2HG LYS 134 6.938 0.224 17.821 1011 2HG LYS 134 3HG LYS 134 6.556 1.821 18.446 1012 1HD LYS 134 2HD LYS 134 4.345 1.307 16.783 1013 2HD LYS 134 3HD LYS 134 4.727 -0.282 17.444 1014 1HE LYS 134 2HE LYS 134 3.142 0.831 18.907 1015 2HE LYS 134 3HE LYS 134 4.694 0.766 19.762 1016 1HZ LYS 134 1HZ LYS 134 3.634 2.982 19.880 1017 2HZ LYS 134 2HZ LYS 134 5.023 3.111 19.030 1018 3HZ LYS 134 3HZ LYS 134 3.598 3.104 18.270 1019 H LEU 135 H LEU 135 9.083 2.919 14.134 1020 HA LEU 135 HA LEU 135 11.141 0.835 14.237 1021 1HB LEU 135 2HB LEU 135 10.479 3.058 12.311 1022 2HB LEU 135 3HB LEU 135 12.042 2.291 12.238 1023 HG LEU 135 HG LEU 135 10.346 1.351 10.679 1024 1HD1 LEU 135 1HD1 LEU 135 11.196 -0.883 12.514 1025 2HD1 LEU 135 2HD1 LEU 135 11.349 -0.739 10.749 1026 3HD1 LEU 135 3HD1 LEU 135 12.446 0.145 11.790 1027 1HD2 LEU 135 1HD2 LEU 135 9.043 0.169 13.156 1028 2HD2 LEU 135 2HD2 LEU 135 8.413 1.481 12.131 1029 3HD2 LEU 135 3HD2 LEU 135 8.585 -0.122 11.476 1030 H GLY 136 H GLY 136 10.966 4.059 15.512 1031 1HA GLY 136 2HA GLY 136 12.440 4.817 17.129 1032 2HA GLY 136 3HA GLY 136 13.730 3.783 16.515 1033 H TYR 137 H TYR 137 11.749 5.906 14.412 1034 HA TYR 137 HA TYR 137 13.933 7.905 14.191 1035 1HB TYR 137 2HB TYR 137 12.717 6.453 11.823 1036 2HB TYR 137 3HB TYR 137 13.974 7.658 11.761 1037 HD1 TYR 137 HD1 TYR 137 16.161 6.886 13.376 1038 HD2 TYR 137 HD2 TYR 137 13.223 4.210 11.754 1039 HE1 TYR 137 HE1 TYR 137 17.798 5.039 13.477 1040 HE2 TYR 137 HE2 TYR 137 14.816 2.333 11.950 1041 HH TYR 137 HH TYR 137 16.831 1.680 12.904 1042 H LYS 138 H LYS 138 12.942 9.699 12.460 1043 HA LYS 138 HA LYS 138 10.001 9.802 12.936 1044 1HB LYS 138 2HB LYS 138 9.949 12.099 13.339 1045 2HB LYS 138 3HB LYS 138 10.814 11.250 14.605 1046 1HG LYS 138 2HG LYS 138 12.238 12.633 12.303 1047 2HG LYS 138 3HG LYS 138 11.685 13.565 13.677 1048 1HD LYS 138 2HD LYS 138 13.565 11.187 13.953 1049 2HD LYS 138 3HD LYS 138 14.087 12.846 13.760 1050 1HE LYS 138 2HE LYS 138 12.988 13.550 15.815 1051 2HE LYS 138 3HE LYS 138 12.285 11.945 16.057 1052 1HZ LYS 138 1HZ LYS 138 15.164 12.520 16.052 1053 2HZ LYS 138 2HZ LYS 138 14.228 12.272 17.385 1054 3HZ LYS 138 3HZ LYS 138 14.464 11.049 16.312 1055 H LEU 139 H LEU 139 8.757 10.706 11.426 1056 HA LEU 139 HA LEU 139 9.953 11.173 8.744 1057 1HB LEU 139 2HB LEU 139 7.251 10.276 9.690 1058 2HB LEU 139 3HB LEU 139 7.407 11.076 8.123 1059 HG LEU 139 HG LEU 139 9.179 8.718 8.797 1060 1HD1 LEU 139 1HD1 LEU 139 6.749 8.076 9.122 1061 2HD1 LEU 139 2HD1 LEU 139 6.413 8.686 7.494 1062 3HD1 LEU 139 3HD1 LEU 139 7.484 7.280 7.718 1063 1HD2 LEU 139 1HD2 LEU 139 8.108 9.637 6.141 1064 2HD2 LEU 139 2HD2 LEU 139 9.676 10.158 6.793 1065 3HD2 LEU 139 3HD2 LEU 139 9.368 8.434 6.485 1066 H LYS 140 H LYS 140 9.484 13.026 7.712 1067 HA LYS 140 HA LYS 140 7.908 15.214 8.921 1068 1HB LYS 140 2HB LYS 140 10.773 15.234 7.861 1069 2HB LYS 140 3HB LYS 140 9.779 16.688 7.855 1070 1HG LYS 140 2HG LYS 140 9.597 15.405 10.476 1071 2HG LYS 140 3HG LYS 140 11.289 15.554 10.029 1072 1HD LYS 140 2HD LYS 140 9.328 17.874 9.706 1073 2HD LYS 140 3HD LYS 140 10.063 17.552 11.271 1074 1HE LYS 140 2HE LYS 140 11.788 17.806 8.771 1075 2HE LYS 140 3HE LYS 140 11.276 19.251 9.658 1076 1HZ LYS 140 1HZ LYS 140 12.528 17.050 11.138 1077 2HZ LYS 140 2HZ LYS 140 13.496 17.928 10.272 1078 3HZ LYS 140 3HZ LYS 140 12.589 18.666 11.451 1079 H LEU 141 H LEU 141 7.344 16.753 7.116 1080 HA LEU 141 HA LEU 141 6.677 15.150 4.682 1081 1HB LEU 141 2HB LEU 141 5.297 17.439 6.112 1082 2HB LEU 141 3HB LEU 141 4.853 16.814 4.530 1083 HG LEU 141 HG LEU 141 4.360 14.600 5.526 1084 1HD1 LEU 141 1HD1 LEU 141 5.038 15.985 8.151 1085 2HD1 LEU 141 2HD1 LEU 141 3.954 14.586 8.059 1086 3HD1 LEU 141 3HD1 LEU 141 5.621 14.412 7.543 1087 1HD2 LEU 141 1HD2 LEU 141 2.624 16.319 5.179 1088 2HD2 LEU 141 2HD2 LEU 141 2.262 15.337 6.602 1089 3HD2 LEU 141 3HD2 LEU 141 2.936 16.966 6.805 1090 H LYS 142 H LYS 142 7.249 16.006 2.614 1091 HA LYS 142 HA LYS 142 9.169 18.241 2.687 1092 1HB LYS 142 2HB LYS 142 8.258 16.365 0.481 1093 2HB LYS 142 3HB LYS 142 9.316 17.755 0.255 1094 1HG LYS 142 2HG LYS 142 10.598 16.625 2.378 1095 2HG LYS 142 3HG LYS 142 9.844 15.177 1.724 1096 1HD LYS 142 2HD LYS 142 12.089 15.451 0.933 1097 2HD LYS 142 3HD LYS 142 10.987 15.588 -0.455 1098 1HE LYS 142 2HE LYS 142 11.353 18.022 -0.514 1099 2HE LYS 142 3HE LYS 142 12.148 17.988 1.071 1100 1HZ LYS 142 1HZ LYS 142 13.198 16.740 -1.376 1101 2HZ LYS 142 2HZ LYS 142 13.706 18.167 -0.728 1102 3HZ LYS 142 3HZ LYS 142 13.941 16.763 0.096 1103 H GLY 143 H GLY 143 8.018 19.979 3.173 1104 1HA GLY 143 2HA GLY 143 7.232 22.051 2.343 1105 2HA GLY 143 3HA GLY 143 6.711 21.267 0.843 1106 H GLU 144 H GLU 144 5.098 19.260 1.675 1107 HA GLU 144 HA GLU 144 2.640 20.335 2.307 1108 1HB GLU 144 2HB GLU 144 3.021 18.077 1.406 1109 2HB GLU 144 3HB GLU 144 3.713 17.552 2.933 1110 1HG GLU 144 2HG GLU 144 1.495 16.709 2.858 1111 2HG GLU 144 3HG GLU 144 1.417 18.062 3.991 1112 H GLN 145 H GLN 145 5.143 19.428 4.552 1113 HA GLN 145 HA GLN 145 3.803 19.505 6.998 1114 1HB GLN 145 2HB GLN 145 6.459 19.388 6.214 1115 2HB GLN 145 3HB GLN 145 6.440 20.899 7.073 1116 1HG GLN 145 2HG GLN 145 5.090 18.590 8.480 1117 2HG GLN 145 3HG GLN 145 6.809 18.418 8.166 1118 1HE2 GLN 145 1HE2 GLN 145 4.818 21.306 9.190 1119 2HE2 GLN 145 2HE2 GLN 145 5.834 21.601 10.587 1120 H ASP 146 H ASP 146 4.321 22.179 4.854 1121 HA ASP 146 HA ASP 146 3.922 24.209 6.969 1122 1HB ASP 146 2HB ASP 146 5.973 24.281 5.461 1123 2HB ASP 146 3HB ASP 146 4.879 24.523 4.088 1124 H SER 147 H SER 147 2.144 22.436 4.839 1125 HA SER 147 HA SER 147 -0.099 24.348 4.965 1126 1HB SER 147 2HB SER 147 1.020 23.360 2.311 1127 2HB SER 147 3HB SER 147 -0.528 24.194 2.506 1128 HG SER 147 HG SER 147 1.484 25.578 3.711 1129 H ILE 148 H ILE 148 0.721 21.471 5.815 1130 HA ILE 148 HA ILE 148 -0.513 19.449 4.941 1131 HB ILE 148 HB ILE 148 -1.292 18.884 7.285 1132 1HG1 ILE 148 2HG1 ILE 148 0.049 21.520 8.043 1133 2HG1 ILE 148 3HG1 ILE 148 -1.700 21.261 8.048 1134 1HG2 ILE 148 1HG2 ILE 148 1.565 19.840 7.119 1135 2HG2 ILE 148 2HG2 ILE 148 0.930 18.483 8.065 1136 3HG2 ILE 148 3HG2 ILE 148 0.962 18.375 6.307 1137 1HD1 ILE 148 1HD1 ILE 148 -0.875 21.006 10.287 1138 2HD1 ILE 148 2HD1 ILE 148 -1.420 19.423 9.700 1139 3HD1 ILE 148 3HD1 ILE 148 0.319 19.801 9.789 1140 H GLU 149 H GLU 149 -2.590 22.055 6.256 1141 HA GLU 149 HA GLU 149 -4.619 21.307 4.456 1142 1HB GLU 149 2HB GLU 149 -5.031 19.712 6.427 1143 2HB GLU 149 3HB GLU 149 -5.475 21.121 7.393 1144 1HG GLU 149 2HG GLU 149 -7.424 21.508 6.025 1145 2HG GLU 149 3HG GLU 149 -6.786 20.498 4.707 1146 H GLY 150 H GLY 150 -6.446 22.998 4.734 1147 1HA GLY 150 2HA GLY 150 -5.045 25.617 5.247 1148 2HA GLY 150 3HA GLY 150 -6.047 25.244 3.848 1149 H ARG 151 H ARG 151 -8.407 24.177 4.859 1150 HA ARG 151 HA ARG 151 -9.431 25.828 6.983 1151 1HB ARG 151 2HB ARG 151 -9.580 27.287 4.840 1152 2HB ARG 151 3HB ARG 151 -10.539 25.979 4.134 1153 1HG ARG 151 2HG ARG 151 -12.125 27.549 4.917 1154 2HG ARG 151 3HG ARG 151 -12.158 26.241 6.086 1155 1HD ARG 151 2HD ARG 151 -10.164 27.989 7.081 1156 2HD ARG 151 3HD ARG 151 -11.378 29.067 6.366 1157 HE ARG 151 HE ARG 151 -12.420 26.929 8.095 1158 1HH1 ARG 151 2HH2 ARG 151 -11.072 30.181 8.088 1159 2HH1 ARG 151 1HH2 ARG 151 -11.802 30.686 9.580 1160 1HH2 ARG 151 2HH1 ARG 151 -13.400 27.541 10.108 1161 2HH2 ARG 151 1HH1 ARG 151 -13.140 29.122 10.773 Start of MODEL 8 1 1H MET 1 H1 MET 1 -0.075 -18.374 8.261 2 2H MET 1 H2 MET 1 0.278 -18.605 9.858 3 3H MET 1 H3 MET 1 1.110 -19.433 8.700 4 HA MET 1 HA MET 1 -0.430 -20.848 9.786 5 1HB MET 1 2HB MET 1 -2.520 -18.915 8.686 6 2HB MET 1 3HB MET 1 -2.851 -20.539 9.318 7 1HG MET 1 2HG MET 1 -1.700 -19.821 11.476 8 2HG MET 1 3HG MET 1 -1.756 -18.162 10.863 9 1HE MET 1 1HE MET 1 -4.046 -16.853 10.416 10 2HE MET 1 2HE MET 1 -4.702 -18.175 9.413 11 3HE MET 1 3HE MET 1 -5.646 -17.539 10.776 12 H LEU 2 H LEU 2 -2.098 -19.744 6.809 13 HA LEU 2 HA LEU 2 -2.027 -22.245 5.688 14 1HB LEU 2 2HB LEU 2 -3.476 -20.304 5.137 15 2HB LEU 2 3HB LEU 2 -2.196 -19.629 4.130 16 HG LEU 2 HG LEU 2 -3.089 -22.484 3.636 17 1HD1 LEU 2 1HD1 LEU 2 -4.686 -20.026 2.812 18 2HD1 LEU 2 2HD1 LEU 2 -4.947 -21.674 2.205 19 3HD1 LEU 2 3HD1 LEU 2 -5.216 -21.310 3.917 20 1HD2 LEU 2 1HD2 LEU 2 -1.255 -21.449 2.252 21 2HD2 LEU 2 2HD2 LEU 2 -2.674 -21.884 1.293 22 3HD2 LEU 2 3HD2 LEU 2 -2.399 -20.194 1.742 23 H SER 3 H SER 3 0.167 -19.570 4.876 24 HA SER 3 HA SER 3 2.645 -20.668 4.896 25 1HB SER 3 2HB SER 3 1.317 -21.295 2.218 26 2HB SER 3 3HB SER 3 3.044 -20.971 2.338 27 HG SER 3 HG SER 3 1.654 -23.012 3.707 28 H GLU 4 H GLU 4 3.476 -18.574 5.167 29 HA GLU 4 HA GLU 4 3.365 -16.287 5.070 30 1HB GLU 4 2HB GLU 4 5.433 -17.457 4.112 31 2HB GLU 4 3HB GLU 4 4.840 -16.989 2.514 32 1HG GLU 4 2HG GLU 4 4.829 -14.606 3.255 33 2HG GLU 4 3HG GLU 4 5.415 -15.099 4.856 34 H GLN 5 H GLN 5 1.076 -15.885 4.727 35 HA GLN 5 HA GLN 5 0.464 -14.717 2.042 36 1HB GLN 5 2HB GLN 5 -1.575 -15.512 4.132 37 2HB GLN 5 3HB GLN 5 -1.859 -15.048 2.453 38 1HG GLN 5 2HG GLN 5 -0.549 -17.645 3.401 39 2HG GLN 5 3HG GLN 5 -2.218 -17.441 2.917 40 1HE2 GLN 5 1HE2 GLN 5 1.038 -16.639 1.382 41 2HE2 GLN 5 2HE2 GLN 5 0.573 -17.281 -0.139 42 H LYS 6 H LYS 6 -0.593 -12.630 2.191 43 HA LYS 6 HA LYS 6 -0.618 -11.387 4.876 44 1HB LYS 6 2HB LYS 6 0.705 -9.486 4.186 45 2HB LYS 6 3HB LYS 6 1.625 -10.969 3.971 46 1HG LYS 6 2HG LYS 6 2.112 -9.830 2.050 47 2HG LYS 6 3HG LYS 6 0.853 -10.913 1.482 48 1HD LYS 6 2HD LYS 6 -0.481 -9.166 0.875 49 2HD LYS 6 3HD LYS 6 -0.342 -8.429 2.480 50 1HE LYS 6 2HE LYS 6 1.911 -7.575 1.862 51 2HE LYS 6 3HE LYS 6 1.636 -8.164 0.204 52 1HZ LYS 6 1HZ LYS 6 -0.122 -6.231 1.627 53 2HZ LYS 6 2HZ LYS 6 1.079 -5.752 0.608 54 3HZ LYS 6 3HZ LYS 6 -0.167 -6.631 0.022 55 H GLU 7 H GLU 7 -2.152 -9.895 5.125 56 HA GLU 7 HA GLU 7 -4.164 -9.507 3.077 57 1HB GLU 7 2HB GLU 7 -3.963 -8.246 5.840 58 2HB GLU 7 3HB GLU 7 -5.397 -8.490 4.836 59 1HG GLU 7 2HG GLU 7 -5.680 -10.238 6.278 60 2HG GLU 7 3HG GLU 7 -4.687 -11.086 5.096 61 H ILE 8 H ILE 8 -4.687 -7.512 2.110 62 HA ILE 8 HA ILE 8 -3.443 -5.061 3.192 63 HB ILE 8 HB ILE 8 -1.963 -5.270 1.432 64 1HG1 ILE 8 2HG1 ILE 8 -3.303 -3.147 1.243 65 2HG1 ILE 8 3HG1 ILE 8 -2.312 -3.683 -0.108 66 1HG2 ILE 8 1HG2 ILE 8 -4.153 -6.593 -0.172 67 2HG2 ILE 8 2HG2 ILE 8 -2.633 -5.985 -0.856 68 3HG2 ILE 8 3HG2 ILE 8 -2.605 -7.264 0.384 69 1HD1 ILE 8 1HD1 ILE 8 -5.356 -3.688 0.000 70 2HD1 ILE 8 2HD1 ILE 8 -4.281 -2.902 -1.143 71 3HD1 ILE 8 3HD1 ILE 8 -4.465 -4.629 -1.207 72 H ALA 9 H ALA 9 -4.977 -3.523 3.427 73 HA ALA 9 HA ALA 9 -7.656 -3.926 2.199 74 1HB ALA 9 1HB ALA 9 -8.488 -2.734 4.231 75 2HB ALA 9 2HB ALA 9 -7.709 -4.279 4.638 76 3HB ALA 9 3HB ALA 9 -6.847 -2.749 4.903 77 H MET 10 H MET 10 -8.055 -2.347 0.724 78 HA MET 10 HA MET 10 -7.082 0.433 1.207 79 1HB MET 10 2HB MET 10 -6.318 -1.263 -1.215 80 2HB MET 10 3HB MET 10 -6.303 0.497 -1.239 81 1HG MET 10 2HG MET 10 -4.714 0.475 0.725 82 2HG MET 10 3HG MET 10 -4.693 -1.287 0.618 83 1HE MET 10 1HE MET 10 -3.353 2.031 -0.864 84 2HE MET 10 2HE MET 10 -2.807 1.515 -2.475 85 3HE MET 10 3HE MET 10 -4.535 1.532 -2.107 86 H GLN 11 H GLN 11 -8.051 1.959 -0.549 87 HA GLN 11 HA GLN 11 -10.852 1.099 -1.013 88 1HB GLN 11 2HB GLN 11 -9.526 3.797 -0.763 89 2HB GLN 11 3HB GLN 11 -11.140 3.591 -1.492 90 1HG GLN 11 2HG GLN 11 -11.785 2.359 0.660 91 2HG GLN 11 3HG GLN 11 -10.227 2.924 1.293 92 1HE2 GLN 11 1HE2 GLN 11 -12.285 3.668 2.732 93 2HE2 GLN 11 2HE2 GLN 11 -12.799 5.326 2.437 94 H VAL 12 H VAL 12 -11.789 1.023 -2.964 95 HA VAL 12 HA VAL 12 -10.194 1.611 -5.389 96 HB VAL 12 HB VAL 12 -10.152 -0.775 -4.994 97 1HG1 VAL 12 1HG1 VAL 12 -12.269 -2.112 -4.918 98 2HG1 VAL 12 2HG1 VAL 12 -12.093 -1.078 -3.490 99 3HG1 VAL 12 3HG1 VAL 12 -13.188 -0.609 -4.797 100 1HG2 VAL 12 1HG2 VAL 12 -10.523 0.078 -7.318 101 2HG2 VAL 12 2HG2 VAL 12 -11.123 -1.572 -7.038 102 3HG2 VAL 12 3HG2 VAL 12 -12.265 -0.218 -7.086 103 H SER 13 H SER 13 -11.446 2.378 -7.130 104 HA SER 13 HA SER 13 -14.133 3.470 -6.382 105 1HB SER 13 2HB SER 13 -12.381 4.347 -8.673 106 2HB SER 13 3HB SER 13 -13.724 5.214 -7.908 107 HG SER 13 HG SER 13 -11.239 4.574 -6.665 108 H GLY 14 H GLY 14 -15.550 3.778 -8.414 109 1HA GLY 14 2HA GLY 14 -16.710 2.903 -10.188 110 2HA GLY 14 3HA GLY 14 -15.319 1.909 -10.626 111 H MET 15 H MET 15 -16.349 1.715 -7.352 112 HA MET 15 HA MET 15 -17.250 -1.052 -7.578 113 1HB MET 15 2HB MET 15 -16.200 0.787 -5.579 114 2HB MET 15 3HB MET 15 -17.703 0.179 -4.940 115 1HG MET 15 2HG MET 15 -15.800 -1.828 -6.133 116 2HG MET 15 3HG MET 15 -15.339 -1.007 -4.653 117 1HE MET 15 1HE MET 15 -19.203 -1.793 -5.172 118 2HE MET 15 2HE MET 15 -18.359 -2.976 -6.210 119 3HE MET 15 3HE MET 15 -19.189 -3.507 -4.728 120 H THR 16 H THR 16 -18.884 -0.313 -9.215 121 HA THR 16 HA THR 16 -21.237 0.962 -8.527 122 HB THR 16 HB THR 16 -21.105 -1.429 -10.400 123 HG1 THR 16 1HG THR 16 -20.280 0.167 -11.897 124 1HG2 THR 16 1HG2 THR 16 -22.585 -0.028 -11.801 125 2HG2 THR 16 2HG2 THR 16 -23.308 -0.303 -10.211 126 3HG2 THR 16 3HG2 THR 16 -22.543 1.258 -10.577 127 H CYS 17 H CYS 17 -20.197 -2.239 -7.578 128 HA CYS 17 HA CYS 17 -21.135 -3.839 -6.243 129 1HB CYS 17 2HB CYS 17 -21.739 -1.997 -4.704 130 2HB CYS 17 3HB CYS 17 -23.323 -1.844 -5.495 131 HG CYS 17 HG CYS 17 -24.154 -4.228 -5.062 132 H ALA 18 H ALA 18 -21.494 -3.758 -8.910 133 HA ALA 18 HA ALA 18 -23.646 -5.713 -9.198 134 1HB ALA 18 1HB ALA 18 -23.476 -3.207 -10.949 135 2HB ALA 18 2HB ALA 18 -24.465 -4.642 -11.293 136 3HB ALA 18 3HB ALA 18 -24.813 -3.646 -9.866 137 H ALA 19 H ALA 19 -21.877 -7.110 -9.303 138 HA ALA 19 HA ALA 19 -20.331 -8.374 -10.304 139 1HB ALA 19 1HB ALA 19 -20.063 -8.358 -12.680 140 2HB ALA 19 2HB ALA 19 -21.772 -8.019 -12.323 141 3HB ALA 19 3HB ALA 19 -20.666 -6.695 -12.794 142 H CYS 20 H CYS 20 -19.663 -4.887 -10.309 143 HA CYS 20 HA CYS 20 -17.273 -4.782 -11.657 144 1HB CYS 20 2HB CYS 20 -18.440 -3.159 -9.335 145 2HB CYS 20 3HB CYS 20 -16.868 -2.767 -10.020 146 HG CYS 20 HG CYS 20 -18.430 -1.135 -11.106 147 H ALA 21 H ALA 21 -17.634 -4.822 -8.108 148 HA ALA 21 HA ALA 21 -14.928 -5.365 -7.618 149 1HB ALA 21 1HB ALA 21 -17.251 -6.079 -5.794 150 2HB ALA 21 2HB ALA 21 -15.535 -5.790 -5.383 151 3HB ALA 21 3HB ALA 21 -16.524 -4.462 -5.986 152 H ALA 22 H ALA 22 -17.718 -7.588 -7.997 153 HA ALA 22 HA ALA 22 -16.369 -9.962 -7.213 154 1HB ALA 22 1HB ALA 22 -18.548 -9.667 -9.326 155 2HB ALA 22 2HB ALA 22 -18.084 -11.160 -8.488 156 3HB ALA 22 3HB ALA 22 -18.818 -9.828 -7.574 157 H ARG 23 H ARG 23 -16.473 -8.291 -10.376 158 HA ARG 23 HA ARG 23 -14.987 -10.279 -11.810 159 1HB ARG 23 2HB ARG 23 -15.796 -7.401 -12.259 160 2HB ARG 23 3HB ARG 23 -14.431 -8.002 -13.181 161 1HG ARG 23 2HG ARG 23 -17.158 -9.349 -13.079 162 2HG ARG 23 3HG ARG 23 -16.610 -8.249 -14.346 163 1HD ARG 23 2HD ARG 23 -14.519 -10.214 -14.087 164 2HD ARG 23 3HD ARG 23 -16.017 -11.100 -13.951 165 HE ARG 23 HE ARG 23 -16.490 -10.731 -16.168 166 1HH1 ARG 23 2HH2 ARG 23 -14.019 -8.436 -15.170 167 2HH1 ARG 23 1HH2 ARG 23 -13.679 -7.831 -16.761 168 1HH2 ARG 23 2HH1 ARG 23 -16.092 -9.950 -18.318 169 2HH2 ARG 23 1HH1 ARG 23 -14.903 -8.722 -18.592 170 H ILE 24 H ILE 24 -14.040 -7.345 -9.929 171 HA ILE 24 HA ILE 24 -11.269 -7.557 -10.552 172 HB ILE 24 HB ILE 24 -12.639 -6.396 -8.105 173 1HG1 ILE 24 2HG1 ILE 24 -11.542 -4.992 -10.602 174 2HG1 ILE 24 3HG1 ILE 24 -13.235 -5.411 -10.439 175 1HG2 ILE 24 1HG2 ILE 24 -10.302 -6.880 -7.688 176 2HG2 ILE 24 2HG2 ILE 24 -9.852 -5.982 -9.163 177 3HG2 ILE 24 3HG2 ILE 24 -10.608 -5.144 -7.779 178 1HD1 ILE 24 1HD1 ILE 24 -11.693 -3.334 -8.944 179 2HD1 ILE 24 2HD1 ILE 24 -13.298 -3.253 -9.710 180 3HD1 ILE 24 3HD1 ILE 24 -13.115 -4.083 -8.168 181 H GLU 25 H GLU 25 -12.993 -8.620 -7.499 182 HA GLU 25 HA GLU 25 -10.836 -9.962 -6.462 183 1HB GLU 25 2HB GLU 25 -13.765 -10.780 -6.184 184 2HB GLU 25 3HB GLU 25 -12.453 -11.130 -5.059 185 1HG GLU 25 2HG GLU 25 -13.805 -8.470 -5.568 186 2HG GLU 25 3HG GLU 25 -13.594 -9.341 -4.073 187 H LYS 26 H LYS 26 -13.270 -11.288 -8.751 188 HA LYS 26 HA LYS 26 -12.249 -13.934 -8.762 189 1HB LYS 26 2HB LYS 26 -14.490 -13.287 -9.366 190 2HB LYS 26 3HB LYS 26 -13.902 -12.416 -10.805 191 1HG LYS 26 2HG LYS 26 -13.150 -14.402 -11.815 192 2HG LYS 26 3HG LYS 26 -13.325 -15.341 -10.315 193 1HD LYS 26 2HD LYS 26 -15.479 -15.859 -10.772 194 2HD LYS 26 3HD LYS 26 -15.889 -14.153 -10.876 195 1HE LYS 26 2HE LYS 26 -16.578 -15.112 -12.921 196 2HE LYS 26 3HE LYS 26 -15.158 -14.114 -13.268 197 1HZ LYS 26 1HZ LYS 26 -13.848 -16.158 -13.271 198 2HZ LYS 26 2HZ LYS 26 -15.190 -17.055 -12.947 199 3HZ LYS 26 3HZ LYS 26 -15.069 -16.247 -14.372 200 H GLY 27 H GLY 27 -11.563 -11.085 -10.853 201 1HA GLY 27 2HA GLY 27 -9.845 -12.430 -12.716 202 2HA GLY 27 3HA GLY 27 -9.898 -10.693 -12.361 203 H LEU 28 H LEU 28 -9.266 -10.636 -9.663 204 HA LEU 28 HA LEU 28 -6.432 -11.011 -9.686 205 1HB LEU 28 2HB LEU 28 -8.521 -10.220 -7.609 206 2HB LEU 28 3HB LEU 28 -6.889 -10.577 -7.080 207 HG LEU 28 HG LEU 28 -7.301 -8.150 -7.402 208 1HD1 LEU 28 1HD1 LEU 28 -5.167 -9.236 -9.283 209 2HD1 LEU 28 2HD1 LEU 28 -5.221 -7.668 -8.457 210 3HD1 LEU 28 3HD1 LEU 28 -5.029 -9.162 -7.518 211 1HD2 LEU 28 1HD2 LEU 28 -8.779 -8.145 -9.308 212 2HD2 LEU 28 2HD2 LEU 28 -7.398 -7.115 -9.543 213 3HD2 LEU 28 3HD2 LEU 28 -7.470 -8.693 -10.374 214 H LYS 29 H LYS 29 -9.098 -12.949 -8.254 215 HA LYS 29 HA LYS 29 -7.503 -14.891 -7.035 216 1HB LYS 29 2HB LYS 29 -10.192 -14.612 -7.280 217 2HB LYS 29 3HB LYS 29 -9.927 -15.845 -8.503 218 1HG LYS 29 2HG LYS 29 -10.180 -17.248 -6.701 219 2HG LYS 29 3HG LYS 29 -8.466 -16.928 -6.484 220 1HD LYS 29 2HD LYS 29 -9.243 -16.473 -4.338 221 2HD LYS 29 3HD LYS 29 -9.347 -14.852 -5.048 222 1HE LYS 29 2HE LYS 29 -11.790 -15.429 -5.655 223 2HE LYS 29 3HE LYS 29 -11.597 -16.896 -4.679 224 1HZ LYS 29 1HZ LYS 29 -12.630 -15.134 -3.428 225 2HZ LYS 29 2HZ LYS 29 -11.221 -15.433 -2.725 226 3HZ LYS 29 3HZ LYS 29 -11.381 -14.120 -3.667 227 H ARG 30 H ARG 30 -7.812 -14.251 -10.460 228 HA ARG 30 HA ARG 30 -7.057 -16.821 -11.438 229 1HB ARG 30 2HB ARG 30 -7.951 -14.613 -12.645 230 2HB ARG 30 3HB ARG 30 -6.232 -14.233 -12.756 231 1HG ARG 30 2HG ARG 30 -6.641 -15.356 -14.772 232 2HG ARG 30 3HG ARG 30 -6.062 -16.685 -13.758 233 1HD ARG 30 2HD ARG 30 -8.583 -17.040 -13.145 234 2HD ARG 30 3HD ARG 30 -8.962 -15.998 -14.500 235 HE ARG 30 HE ARG 30 -8.059 -18.763 -14.489 236 1HH1 ARG 30 2HH2 ARG 30 -7.950 -15.859 -16.465 237 2HH1 ARG 30 1HH2 ARG 30 -7.912 -16.689 -17.993 238 1HH2 ARG 30 2HH1 ARG 30 -8.023 -19.919 -16.484 239 2HH2 ARG 30 1HH1 ARG 30 -7.940 -19.070 -17.990 240 H MET 31 H MET 31 -5.212 -14.241 -9.865 241 HA MET 31 HA MET 31 -2.635 -15.046 -10.920 242 1HB MET 31 2HB MET 31 -3.379 -13.307 -8.564 243 2HB MET 31 3HB MET 31 -1.744 -13.535 -9.177 244 1HG MET 31 2HG MET 31 -3.631 -12.688 -11.295 245 2HG MET 31 3HG MET 31 -3.530 -11.565 -9.947 246 1HE MET 31 1HE MET 31 -1.568 -13.355 -12.817 247 2HE MET 31 2HE MET 31 0.065 -12.664 -12.644 248 3HE MET 31 3HE MET 31 -0.543 -13.798 -11.426 249 HA PRO 32 HA PRO 32 -2.331 -18.507 -8.051 250 1HB PRO 32 2HB PRO 32 0.085 -19.484 -8.784 251 2HB PRO 32 3HB PRO 32 -1.340 -19.621 -9.856 252 1HG PRO 32 2HG PRO 32 0.850 -17.528 -9.962 253 2HG PRO 32 3HG PRO 32 0.220 -18.514 -11.310 254 1HD PRO 32 2HD PRO 32 -0.637 -15.984 -10.784 255 2HD PRO 32 3HD PRO 32 -1.761 -17.221 -11.436 256 H GLY 33 H GLY 33 -2.345 -16.680 -6.588 257 1HA GLY 33 2HA GLY 33 -0.228 -16.836 -4.646 258 2HA GLY 33 3HA GLY 33 -0.145 -15.281 -5.472 259 H VAL 34 H VAL 34 -3.052 -15.005 -5.964 260 HA VAL 34 HA VAL 34 -3.997 -13.993 -3.471 261 HB VAL 34 HB VAL 34 -5.377 -14.713 -6.064 262 1HG1 VAL 34 1HG1 VAL 34 -6.518 -13.306 -3.607 263 2HG1 VAL 34 2HG1 VAL 34 -7.289 -13.368 -5.205 264 3HG1 VAL 34 3HG1 VAL 34 -7.069 -14.858 -4.277 265 1HG2 VAL 34 1HG2 VAL 34 -3.787 -12.788 -6.129 266 2HG2 VAL 34 2HG2 VAL 34 -5.458 -12.234 -6.289 267 3HG2 VAL 34 3HG2 VAL 34 -4.625 -12.053 -4.747 268 H THR 35 H THR 35 -4.485 -14.897 -1.717 269 HA THR 35 HA THR 35 -5.135 -17.728 -1.498 270 HB THR 35 HB THR 35 -5.225 -15.562 0.636 271 HG1 THR 35 1HG THR 35 -2.862 -16.835 -0.188 272 1HG2 THR 35 1HG2 THR 35 -4.357 -18.493 0.713 273 2HG2 THR 35 2HG2 THR 35 -4.466 -17.391 2.106 274 3HG2 THR 35 3HG2 THR 35 -5.938 -17.880 1.247 275 H ASP 36 H ASP 36 -6.544 -14.465 -0.783 276 HA ASP 36 HA ASP 36 -9.046 -15.343 -1.812 277 1HB ASP 36 2HB ASP 36 -9.195 -16.106 0.632 278 2HB ASP 36 3HB ASP 36 -9.108 -14.397 1.093 279 H ALA 37 H ALA 37 -10.646 -13.446 -1.629 280 HA ALA 37 HA ALA 37 -9.333 -10.827 -2.028 281 1HB ALA 37 1HB ALA 37 -8.866 -12.086 -4.112 282 2HB ALA 37 2HB ALA 37 -10.598 -12.386 -4.335 283 3HB ALA 37 3HB ALA 37 -9.952 -10.738 -4.409 284 H ASN 38 H ASN 38 -10.744 -9.498 -0.991 285 HA ASN 38 HA ASN 38 -13.652 -10.140 -0.995 286 1HB ASN 38 2HB ASN 38 -12.055 -9.316 1.457 287 2HB ASN 38 3HB ASN 38 -13.758 -9.768 1.390 288 1HD2 ASN 38 1HD2 ASN 38 -13.076 -12.232 -0.402 289 2HD2 ASN 38 2HD2 ASN 38 -12.438 -13.349 0.809 290 H VAL 39 H VAL 39 -14.914 -8.229 -0.254 291 HA VAL 39 HA VAL 39 -13.622 -5.597 -0.502 292 HB VAL 39 HB VAL 39 -13.852 -6.383 -2.819 293 1HG1 VAL 39 1HG1 VAL 39 -16.846 -6.269 -2.740 294 2HG1 VAL 39 2HG1 VAL 39 -15.752 -7.190 -3.794 295 3HG1 VAL 39 3HG1 VAL 39 -16.074 -7.761 -2.177 296 1HG2 VAL 39 1HG2 VAL 39 -15.792 -4.149 -2.129 297 2HG2 VAL 39 2HG2 VAL 39 -14.028 -3.991 -2.217 298 3HG2 VAL 39 3HG2 VAL 39 -14.939 -4.403 -3.670 299 H ASN 40 H ASN 40 -14.290 -4.690 1.209 300 HA ASN 40 HA ASN 40 -17.075 -5.005 2.207 301 1HB ASN 40 2HB ASN 40 -14.541 -3.675 3.199 302 2HB ASN 40 3HB ASN 40 -16.110 -3.116 3.790 303 1HD2 ASN 40 1HD2 ASN 40 -17.512 -4.571 4.948 304 2HD2 ASN 40 2HD2 ASN 40 -16.825 -5.987 5.718 305 H LEU 41 H LEU 41 -17.702 -4.402 0.017 306 HA LEU 41 HA LEU 41 -17.433 -1.865 -1.125 307 1HB LEU 41 2HB LEU 41 -19.411 -2.357 -2.375 308 2HB LEU 41 3HB LEU 41 -18.425 -3.814 -2.189 309 HG LEU 41 HG LEU 41 -20.112 -4.224 -0.164 310 1HD1 LEU 41 1HD1 LEU 41 -21.712 -2.531 -2.144 311 2HD1 LEU 41 2HD1 LEU 41 -22.424 -3.544 -0.872 312 3HD1 LEU 41 3HD1 LEU 41 -21.438 -2.143 -0.442 313 1HD2 LEU 41 1HD2 LEU 41 -19.720 -5.758 -2.014 314 2HD2 LEU 41 2HD2 LEU 41 -21.469 -5.573 -1.796 315 3HD2 LEU 41 3HD2 LEU 41 -20.639 -4.721 -3.120 316 H ALA 42 H ALA 42 -19.259 -2.789 1.651 317 HA ALA 42 HA ALA 42 -21.007 -0.628 1.927 318 1HB ALA 42 1HB ALA 42 -21.033 -2.628 3.393 319 2HB ALA 42 2HB ALA 42 -19.467 -2.152 4.088 320 3HB ALA 42 3HB ALA 42 -20.906 -1.149 4.366 321 H THR 43 H THR 43 -17.487 -0.849 2.623 322 HA THR 43 HA THR 43 -17.444 2.101 3.088 323 HB THR 43 HB THR 43 -15.453 1.654 4.414 324 HG1 THR 43 1HG THR 43 -14.565 -0.124 3.560 325 1HG2 THR 43 1HG2 THR 43 -17.567 -0.375 5.282 326 2HG2 THR 43 2HG2 THR 43 -16.495 0.596 6.298 327 3HG2 THR 43 3HG2 THR 43 -17.823 1.373 5.398 328 H GLU 44 H GLU 44 -17.314 0.247 0.537 329 HA GLU 44 HA GLU 44 -16.055 -0.106 -1.319 330 1HB GLU 44 2HB GLU 44 -15.388 2.822 -0.850 331 2HB GLU 44 3HB GLU 44 -15.088 1.934 -2.350 332 1HG GLU 44 2HG GLU 44 -17.517 1.406 -2.529 333 2HG GLU 44 3HG GLU 44 -17.822 2.414 -1.103 334 H THR 45 H THR 45 -14.721 -1.236 0.897 335 HA THR 45 HA THR 45 -11.889 -0.440 0.565 336 HB THR 45 HB THR 45 -13.451 -1.753 2.816 337 HG1 THR 45 1HG THR 45 -12.148 0.764 2.753 338 1HG2 THR 45 1HG2 THR 45 -11.277 -2.605 2.990 339 2HG2 THR 45 2HG2 THR 45 -10.547 -1.074 2.447 340 3HG2 THR 45 3HG2 THR 45 -11.300 -1.194 4.062 341 H VAL 46 H VAL 46 -10.911 -1.824 -0.831 342 HA VAL 46 HA VAL 46 -11.874 -4.593 -1.212 343 HB VAL 46 HB VAL 46 -11.432 -3.456 -3.230 344 1HG1 VAL 46 1HG1 VAL 46 -9.924 -1.627 -2.612 345 2HG1 VAL 46 2HG1 VAL 46 -8.630 -2.775 -2.211 346 3HG1 VAL 46 3HG1 VAL 46 -9.182 -2.604 -3.877 347 1HG2 VAL 46 1HG2 VAL 46 -9.814 -4.913 -4.262 348 2HG2 VAL 46 2HG2 VAL 46 -9.049 -5.231 -2.697 349 3HG2 VAL 46 3HG2 VAL 46 -10.694 -5.832 -3.024 350 H ASN 47 H ASN 47 -10.976 -6.215 -0.150 351 HA ASN 47 HA ASN 47 -8.465 -5.768 1.379 352 1HB ASN 47 2HB ASN 47 -10.941 -7.382 2.102 353 2HB ASN 47 3HB ASN 47 -9.389 -7.545 2.936 354 1HD2 ASN 47 1HD2 ASN 47 -11.517 -6.918 4.512 355 2HD2 ASN 47 2HD2 ASN 47 -11.417 -5.233 4.985 356 H VAL 48 H VAL 48 -6.962 -6.888 0.216 357 HA VAL 48 HA VAL 48 -7.797 -9.501 -1.027 358 HB VAL 48 HB VAL 48 -5.374 -8.029 -2.006 359 1HG1 VAL 48 1HG1 VAL 48 -7.410 -9.860 -3.373 360 2HG1 VAL 48 2HG1 VAL 48 -5.847 -9.341 -4.022 361 3HG1 VAL 48 3HG1 VAL 48 -5.916 -10.455 -2.643 362 1HG2 VAL 48 1HG2 VAL 48 -8.241 -7.537 -2.904 363 2HG2 VAL 48 2HG2 VAL 48 -7.077 -6.336 -2.281 364 3HG2 VAL 48 3HG2 VAL 48 -6.805 -7.098 -3.852 365 H ILE 49 H ILE 49 -6.645 -11.307 -0.513 366 HA ILE 49 HA ILE 49 -4.429 -11.003 1.442 367 HB ILE 49 HB ILE 49 -6.586 -13.152 1.434 368 1HG1 ILE 49 2HG1 ILE 49 -6.164 -10.750 3.269 369 2HG1 ILE 49 3HG1 ILE 49 -7.519 -11.017 2.170 370 1HG2 ILE 49 1HG2 ILE 49 -4.262 -12.607 3.345 371 2HG2 ILE 49 2HG2 ILE 49 -5.467 -13.902 3.515 372 3HG2 ILE 49 3HG2 ILE 49 -4.326 -13.933 2.180 373 1HD1 ILE 49 1HD1 ILE 49 -8.155 -13.051 3.472 374 2HD1 ILE 49 2HD1 ILE 49 -6.913 -12.614 4.676 375 3HD1 ILE 49 3HD1 ILE 49 -8.267 -11.522 4.368 376 H TYR 50 H TYR 50 -2.562 -11.803 0.539 377 HA TYR 50 HA TYR 50 -2.711 -14.076 -1.325 378 1HB TYR 50 2HB TYR 50 -1.729 -12.800 -3.211 379 2HB TYR 50 3HB TYR 50 -3.326 -12.199 -2.764 380 HD1 TYR 50 HD1 TYR 50 -3.781 -10.062 -2.112 381 HD2 TYR 50 HD2 TYR 50 0.294 -11.384 -2.456 382 HE1 TYR 50 HE1 TYR 50 -3.021 -7.747 -2.064 383 HE2 TYR 50 HE2 TYR 50 1.084 -9.075 -2.053 384 HH TYR 50 HH TYR 50 -1.001 -6.306 -2.045 385 H ASP 51 H ASP 51 -0.644 -14.601 -2.269 386 HA ASP 51 HA ASP 51 1.332 -14.708 -0.213 387 1HB ASP 51 2HB ASP 51 0.740 -16.540 -1.951 388 2HB ASP 51 3HB ASP 51 1.501 -15.535 -3.169 389 HA PRO 52 HA PRO 52 3.399 -11.001 -1.640 390 1HB PRO 52 2HB PRO 52 5.429 -10.873 0.204 391 2HB PRO 52 3HB PRO 52 3.719 -10.693 0.672 392 1HG PRO 52 2HG PRO 52 5.419 -13.216 0.851 393 2HG PRO 52 3HG PRO 52 4.374 -12.528 2.115 394 1HD PRO 52 2HD PRO 52 3.627 -14.502 0.372 395 2HD PRO 52 3HD PRO 52 2.458 -13.337 1.099 396 H ALA 53 H ALA 53 4.338 -14.001 -2.525 397 HA ALA 53 HA ALA 53 7.017 -13.128 -3.561 398 1HB ALA 53 1HB ALA 53 7.858 -15.346 -3.032 399 2HB ALA 53 2HB ALA 53 7.257 -14.546 -1.567 400 3HB ALA 53 3HB ALA 53 6.298 -15.821 -2.344 401 H GLU 54 H GLU 54 3.929 -14.483 -4.345 402 HA GLU 54 HA GLU 54 4.929 -15.464 -6.966 403 1HB GLU 54 2HB GLU 54 2.229 -15.695 -5.576 404 2HB GLU 54 3HB GLU 54 2.704 -16.409 -7.125 405 1HG GLU 54 2HG GLU 54 4.612 -17.588 -5.869 406 2HG GLU 54 3HG GLU 54 3.813 -17.095 -4.369 407 H THR 55 H THR 55 2.830 -12.981 -5.462 408 HA THR 55 HA THR 55 1.855 -12.203 -8.191 409 HB THR 55 HB THR 55 0.571 -12.511 -5.481 410 HG1 THR 55 1HG THR 55 -0.868 -13.658 -6.807 411 1HG2 THR 55 1HG2 THR 55 -1.471 -11.445 -6.612 412 2HG2 THR 55 2HG2 THR 55 -0.191 -10.373 -6.005 413 3HG2 THR 55 3HG2 THR 55 -0.317 -10.716 -7.754 414 H GLY 56 H GLY 56 1.584 -10.384 -5.124 415 1HA GLY 56 2HA GLY 56 3.365 -8.941 -4.364 416 2HA GLY 56 3HA GLY 56 3.808 -8.581 -6.035 417 H THR 57 H THR 57 2.462 -7.236 -3.539 418 HA THR 57 HA THR 57 -0.011 -6.225 -3.983 419 HB THR 57 HB THR 57 1.604 -5.869 -2.031 420 HG1 THR 57 1HG THR 57 0.410 -3.435 -2.530 421 1HG2 THR 57 1HG2 THR 57 2.925 -3.879 -1.952 422 2HG2 THR 57 2HG2 THR 57 3.431 -4.922 -3.296 423 3HG2 THR 57 3HG2 THR 57 2.456 -3.469 -3.615 424 H ALA 58 H ALA 58 2.886 -5.034 -5.674 425 HA ALA 58 HA ALA 58 1.586 -2.847 -7.001 426 1HB ALA 58 1HB ALA 58 4.019 -4.477 -7.838 427 2HB ALA 58 2HB ALA 58 3.523 -2.908 -8.510 428 3HB ALA 58 3HB ALA 58 4.023 -3.022 -6.812 429 H ALA 59 H ALA 59 1.904 -6.352 -7.809 430 HA ALA 59 HA ALA 59 0.862 -6.030 -10.496 431 1HB ALA 59 1HB ALA 59 0.985 -8.496 -8.751 432 2HB ALA 59 2HB ALA 59 0.692 -8.417 -10.502 433 3HB ALA 59 3HB ALA 59 2.276 -7.931 -9.847 434 H ILE 60 H ILE 60 -0.409 -6.591 -7.236 435 HA ILE 60 HA ILE 60 -3.064 -7.327 -7.926 436 HB ILE 60 HB ILE 60 -2.236 -5.634 -5.542 437 1HG1 ILE 60 2HG1 ILE 60 -0.942 -7.832 -5.717 438 2HG1 ILE 60 3HG1 ILE 60 -1.857 -7.489 -4.272 439 1HG2 ILE 60 1HG2 ILE 60 -4.144 -6.735 -4.428 440 2HG2 ILE 60 2HG2 ILE 60 -4.609 -5.614 -5.730 441 3HG2 ILE 60 3HG2 ILE 60 -4.656 -7.368 -6.004 442 1HD1 ILE 60 1HD1 ILE 60 -2.743 -9.338 -6.505 443 2HD1 ILE 60 2HD1 ILE 60 -2.043 -9.812 -4.935 444 3HD1 ILE 60 3HD1 ILE 60 -3.624 -9.056 -4.977 445 H GLN 61 H GLN 61 -1.630 -4.078 -7.222 446 HA GLN 61 HA GLN 61 -4.009 -2.700 -7.977 447 1HB GLN 61 2HB GLN 61 -3.018 -0.740 -7.657 448 2HB GLN 61 3HB GLN 61 -1.990 -1.758 -6.648 449 1HG GLN 61 2HG GLN 61 -0.238 -1.686 -8.390 450 2HG GLN 61 3HG GLN 61 -1.312 -0.810 -9.491 451 1HE2 GLN 61 1HE2 GLN 61 -1.834 1.385 -9.047 452 2HE2 GLN 61 2HE2 GLN 61 -0.786 2.307 -7.959 453 H GLU 62 H GLU 62 -1.137 -3.693 -9.922 454 HA GLU 62 HA GLU 62 -1.849 -2.431 -12.337 455 1HB GLU 62 2HB GLU 62 0.270 -3.635 -12.092 456 2HB GLU 62 3HB GLU 62 -0.600 -5.162 -11.857 457 1HG GLU 62 2HG GLU 62 -1.543 -4.980 -14.118 458 2HG GLU 62 3HG GLU 62 -0.533 -3.559 -14.427 459 H LYS 63 H LYS 63 -3.094 -5.513 -10.901 460 HA LYS 63 HA LYS 63 -4.576 -6.185 -13.253 461 1HB LYS 63 2HB LYS 63 -3.918 -7.444 -10.770 462 2HB LYS 63 3HB LYS 63 -5.653 -7.271 -10.793 463 1HG LYS 63 2HG LYS 63 -5.482 -9.283 -11.819 464 2HG LYS 63 3HG LYS 63 -5.460 -8.259 -13.253 465 1HD LYS 63 2HD LYS 63 -3.084 -9.430 -11.742 466 2HD LYS 63 3HD LYS 63 -3.708 -10.042 -13.285 467 1HE LYS 63 2HE LYS 63 -3.042 -7.881 -14.378 468 2HE LYS 63 3HE LYS 63 -2.429 -7.294 -12.821 469 1HZ LYS 63 1HZ LYS 63 -0.866 -9.096 -12.798 470 2HZ LYS 63 2HZ LYS 63 -1.311 -9.539 -14.329 471 3HZ LYS 63 3HZ LYS 63 -0.652 -8.054 -14.026 472 H ILE 64 H ILE 64 -5.474 -4.618 -10.132 473 HA ILE 64 HA ILE 64 -8.230 -4.253 -10.636 474 HB ILE 64 HB ILE 64 -6.237 -2.477 -9.161 475 1HG1 ILE 64 2HG1 ILE 64 -8.344 -4.420 -8.093 476 2HG1 ILE 64 3HG1 ILE 64 -6.678 -4.914 -8.366 477 1HG2 ILE 64 1HG2 ILE 64 -8.175 -1.122 -9.756 478 2HG2 ILE 64 2HG2 ILE 64 -9.278 -2.396 -9.182 479 3HG2 ILE 64 3HG2 ILE 64 -8.251 -1.502 -8.045 480 1HD1 ILE 64 1HD1 ILE 64 -7.579 -2.782 -6.390 481 2HD1 ILE 64 2HD1 ILE 64 -6.997 -4.412 -6.037 482 3HD1 ILE 64 3HD1 ILE 64 -5.892 -3.219 -6.741 483 H GLU 65 H GLU 65 -5.443 -2.183 -11.540 484 HA GLU 65 HA GLU 65 -6.996 -0.201 -12.844 485 1HB GLU 65 2HB GLU 65 -4.071 -0.969 -13.137 486 2HB GLU 65 3HB GLU 65 -4.810 0.492 -13.820 487 1HG GLU 65 2HG GLU 65 -5.470 1.277 -11.598 488 2HG GLU 65 3HG GLU 65 -4.914 -0.195 -10.836 489 H LYS 66 H LYS 66 -5.245 -3.010 -14.263 490 HA LYS 66 HA LYS 66 -6.116 -2.667 -16.948 491 1HB LYS 66 2HB LYS 66 -5.231 -5.021 -15.326 492 2HB LYS 66 3HB LYS 66 -5.876 -5.276 -16.953 493 1HG LYS 66 2HG LYS 66 -4.220 -3.998 -18.020 494 2HG LYS 66 3HG LYS 66 -3.730 -3.189 -16.510 495 1HD LYS 66 2HD LYS 66 -2.988 -5.258 -15.571 496 2HD LYS 66 3HD LYS 66 -3.410 -6.188 -16.999 497 1HE LYS 66 2HE LYS 66 -1.422 -3.848 -17.097 498 2HE LYS 66 3HE LYS 66 -0.900 -5.467 -16.631 499 1HZ LYS 66 1HZ LYS 66 -1.615 -6.311 -18.709 500 2HZ LYS 66 2HZ LYS 66 -2.171 -4.838 -19.200 501 3HZ LYS 66 3HZ LYS 66 -0.561 -5.076 -18.941 502 H LEU 67 H LEU 67 -7.831 -4.145 -14.154 503 HA LEU 67 HA LEU 67 -9.960 -5.218 -15.746 504 1HB LEU 67 2HB LEU 67 -9.399 -4.833 -12.861 505 2HB LEU 67 3HB LEU 67 -11.085 -4.893 -13.311 506 HG LEU 67 HG LEU 67 -9.625 -7.039 -14.685 507 1HD1 LEU 67 1HD1 LEU 67 -8.159 -7.091 -12.889 508 2HD1 LEU 67 2HD1 LEU 67 -9.436 -6.849 -11.679 509 3HD1 LEU 67 3HD1 LEU 67 -9.331 -8.381 -12.585 510 1HD2 LEU 67 1HD2 LEU 67 -12.080 -6.869 -14.497 511 2HD2 LEU 67 2HD2 LEU 67 -11.476 -8.357 -13.737 512 3HD2 LEU 67 3HD2 LEU 67 -11.963 -6.977 -12.730 513 H GLY 68 H GLY 68 -9.149 -1.966 -15.070 514 1HA GLY 68 2HA GLY 68 -10.165 -0.201 -16.167 515 2HA GLY 68 3HA GLY 68 -11.679 -1.097 -16.332 516 H TYR 69 H TYR 69 -9.658 -0.516 -13.443 517 HA TYR 69 HA TYR 69 -11.741 1.256 -12.250 518 1HB TYR 69 2HB TYR 69 -10.400 -1.097 -10.879 519 2HB TYR 69 3HB TYR 69 -11.509 0.041 -10.117 520 HD1 TYR 69 HD1 TYR 69 -13.922 0.104 -10.806 521 HD2 TYR 69 HD2 TYR 69 -11.209 -2.848 -12.337 522 HE1 TYR 69 HE1 TYR 69 -15.836 -1.148 -11.765 523 HE2 TYR 69 HE2 TYR 69 -13.143 -4.125 -13.274 524 HH TYR 69 HH TYR 69 -15.358 -4.103 -13.710 525 H HIS 70 H HIS 70 -10.683 2.091 -10.013 526 HA HIS 70 HA HIS 70 -7.822 2.668 -10.391 527 1HB HIS 70 2HB HIS 70 -9.879 4.563 -11.115 528 2HB HIS 70 3HB HIS 70 -9.142 5.129 -9.622 529 HD1 HIS 70 1HD HIS 70 -6.620 6.008 -9.800 530 HD2 HIS 70 2HD HIS 70 -8.260 4.354 -13.310 531 HE1 HIS 70 1HE HIS 70 -5.021 6.589 -11.704 532 H VAL 71 H VAL 71 -6.772 3.108 -8.481 533 HA VAL 71 HA VAL 71 -8.236 2.402 -6.002 534 HB VAL 71 HB VAL 71 -5.980 1.998 -5.122 535 1HG1 VAL 71 1HG1 VAL 71 -6.574 0.473 -7.692 536 2HG1 VAL 71 2HG1 VAL 71 -5.591 -0.094 -6.330 537 3HG1 VAL 71 3HG1 VAL 71 -7.329 0.178 -6.110 538 1HG2 VAL 71 1HG2 VAL 71 -4.947 2.353 -7.980 539 2HG2 VAL 71 2HG2 VAL 71 -4.651 3.505 -6.666 540 3HG2 VAL 71 3HG2 VAL 71 -4.026 1.858 -6.557 541 H VAL 72 H VAL 72 -8.258 3.720 -4.210 542 HA VAL 72 HA VAL 72 -7.945 6.590 -4.848 543 HB VAL 72 HB VAL 72 -8.975 5.187 -2.370 544 1HG1 VAL 72 1HG1 VAL 72 -9.305 8.072 -3.339 545 2HG1 VAL 72 2HG1 VAL 72 -10.152 7.367 -1.949 546 3HG1 VAL 72 3HG1 VAL 72 -8.406 7.573 -1.896 547 1HG2 VAL 72 1HG2 VAL 72 -11.236 5.685 -3.212 548 2HG2 VAL 72 2HG2 VAL 72 -10.537 6.304 -4.724 549 3HG2 VAL 72 3HG2 VAL 72 -10.383 4.584 -4.295 550 H THR 73 H THR 73 -5.510 6.031 -5.091 551 HA THR 73 HA THR 73 -4.180 6.319 -2.427 552 HB THR 73 HB THR 73 -2.696 4.742 -4.473 553 HG1 THR 73 1HG THR 73 -4.855 3.880 -4.607 554 1HG2 THR 73 1HG2 THR 73 -3.412 4.135 -1.605 555 2HG2 THR 73 2HG2 THR 73 -1.939 3.634 -2.453 556 3HG2 THR 73 3HG2 THR 73 -2.170 5.331 -1.986 557 H GLU 74 H GLU 74 -2.314 7.538 -2.340 558 HA GLU 74 HA GLU 74 -1.564 9.036 -4.792 559 1HB GLU 74 2HB GLU 74 -2.191 10.053 -1.981 560 2HB GLU 74 3HB GLU 74 -1.251 10.997 -3.140 561 1HG GLU 74 2HG GLU 74 -4.060 9.974 -3.753 562 2HG GLU 74 3HG GLU 74 -3.712 11.563 -3.063 563 H LYS 75 H LYS 75 0.535 9.561 -4.938 564 HA LYS 75 HA LYS 75 2.459 8.059 -3.266 565 1HB LYS 75 2HB LYS 75 4.076 8.454 -4.946 566 2HB LYS 75 3HB LYS 75 2.594 7.817 -5.661 567 1HG LYS 75 2HG LYS 75 2.007 10.296 -6.168 568 2HG LYS 75 3HG LYS 75 3.745 10.549 -5.900 569 1HD LYS 75 2HD LYS 75 4.194 8.677 -7.578 570 2HD LYS 75 3HD LYS 75 2.457 8.546 -7.837 571 1HE LYS 75 2HE LYS 75 3.408 9.854 -9.641 572 2HE LYS 75 3HE LYS 75 2.348 10.879 -8.658 573 1HZ LYS 75 1HZ LYS 75 5.291 10.777 -8.453 574 2HZ LYS 75 2HZ LYS 75 4.426 11.964 -9.201 575 3HZ LYS 75 3HZ LYS 75 4.301 11.755 -7.575 576 H ALA 76 H ALA 76 2.468 9.132 -1.353 577 HA ALA 76 HA ALA 76 2.837 12.094 -1.270 578 1HB ALA 76 1HB ALA 76 2.520 9.946 0.857 579 2HB ALA 76 2HB ALA 76 2.746 11.673 1.198 580 3HB ALA 76 3HB ALA 76 1.301 11.125 0.327 581 H GLU 77 H GLU 77 4.698 13.014 -0.044 582 HA GLU 77 HA GLU 77 7.122 11.260 -0.038 583 1HB GLU 77 2HB GLU 77 6.945 14.142 -1.028 584 2HB GLU 77 3HB GLU 77 8.426 13.241 -0.673 585 1HG GLU 77 2HG GLU 77 7.200 11.494 -2.381 586 2HG GLU 77 3HG GLU 77 6.640 13.037 -3.037 587 H PHE 78 H PHE 78 8.049 11.143 1.860 588 HA PHE 78 HA PHE 78 7.888 13.480 3.706 589 1HB PHE 78 2HB PHE 78 7.966 10.541 4.432 590 2HB PHE 78 3HB PHE 78 8.026 11.887 5.561 591 HD1 PHE 78 1HD PHE 78 6.012 13.427 5.801 592 HD2 PHE 78 2HD PHE 78 5.858 9.827 3.455 593 HE1 PHE 78 1HE PHE 78 3.646 13.905 5.191 594 HE2 PHE 78 2HE PHE 78 3.425 10.199 3.075 595 HZ PHE 78 HZ PHE 78 2.378 12.312 3.802 596 H ASP 79 H ASP 79 9.730 13.963 4.825 597 HA ASP 79 HA ASP 79 12.335 13.145 3.598 598 1HB ASP 79 2HB ASP 79 11.948 15.437 3.225 599 2HB ASP 79 3HB ASP 79 11.244 15.700 4.814 600 H ILE 80 H ILE 80 14.056 12.522 5.135 601 HA ILE 80 HA ILE 80 12.885 11.598 7.742 602 HB ILE 80 HB ILE 80 15.080 10.353 6.083 603 1HG1 ILE 80 2HG1 ILE 80 12.086 9.741 6.008 604 2HG1 ILE 80 3HG1 ILE 80 13.024 10.478 4.698 605 1HG2 ILE 80 1HG2 ILE 80 14.882 9.748 8.536 606 2HG2 ILE 80 2HG2 ILE 80 13.234 9.177 8.212 607 3HG2 ILE 80 3HG2 ILE 80 14.635 8.385 7.452 608 1HD1 ILE 80 1HD1 ILE 80 12.841 8.267 4.137 609 2HD1 ILE 80 2HD1 ILE 80 14.517 8.551 4.647 610 3HD1 ILE 80 3HD1 ILE 80 13.366 7.700 5.737 611 H GLU 81 H GLU 81 13.765 12.467 9.558 612 HA GLU 81 HA GLU 81 16.656 13.325 9.442 613 1HB GLU 81 2HB GLU 81 14.774 14.183 11.617 614 2HB GLU 81 3HB GLU 81 16.352 14.790 11.193 615 1HG GLU 81 2HG GLU 81 15.534 15.768 9.123 616 2HG GLU 81 3HG GLU 81 13.928 15.095 9.360 617 H GLY 82 H GLY 82 17.389 11.163 9.639 618 1HA GLY 82 2HA GLY 82 17.648 10.137 12.267 619 2HA GLY 82 3HA GLY 82 16.268 9.316 11.528 620 H MET 83 H MET 83 17.020 8.842 8.888 621 HA MET 83 HA MET 83 18.992 6.870 9.141 622 1HB MET 83 2HB MET 83 18.759 6.596 6.739 623 2HB MET 83 3HB MET 83 17.178 6.833 7.487 624 1HG MET 83 2HG MET 83 16.950 8.113 5.626 625 2HG MET 83 3HG MET 83 17.438 9.329 6.807 626 1HE MET 83 1HE MET 83 18.256 7.437 3.502 627 2HE MET 83 2HE MET 83 19.996 7.767 3.320 628 3HE MET 83 3HE MET 83 19.438 6.670 4.595 629 H THR 84 H THR 84 21.050 7.053 9.458 630 HA THR 84 HA THR 84 22.624 9.249 8.185 631 HB THR 84 HB THR 84 23.917 9.125 10.406 632 HG1 THR 84 1HG THR 84 22.496 8.324 12.130 633 1HG2 THR 84 1HG2 THR 84 22.354 10.985 9.849 634 2HG2 THR 84 2HG2 THR 84 21.025 10.079 10.590 635 3HG2 THR 84 3HG2 THR 84 22.390 10.616 11.582 636 H CYS 85 H CYS 85 22.133 6.652 7.116 637 HA CYS 85 HA CYS 85 23.319 5.076 6.014 638 1HB CYS 85 2HB CYS 85 24.983 6.882 5.614 639 2HB CYS 85 3HB CYS 85 25.912 6.312 7.021 640 HG CYS 85 HG CYS 85 26.291 3.917 6.224 641 H ALA 86 H ALA 86 22.156 4.431 8.331 642 HA ALA 86 HA ALA 86 23.772 2.022 9.023 643 1HB ALA 86 1HB ALA 86 23.879 3.531 10.963 644 2HB ALA 86 2HB ALA 86 22.110 3.671 10.978 645 3HB ALA 86 3HB ALA 86 22.883 2.107 11.320 646 H ALA 87 H ALA 87 22.153 2.156 6.890 647 HA ALA 87 HA ALA 87 20.347 1.264 5.831 648 1HB ALA 87 1HB ALA 87 19.866 -1.047 6.525 649 2HB ALA 87 2HB ALA 87 21.596 -0.708 6.654 650 3HB ALA 87 3HB ALA 87 20.584 -0.742 8.114 651 H CYS 88 H CYS 88 19.542 3.368 7.848 652 HA CYS 88 HA CYS 88 17.383 2.340 9.429 653 1HB CYS 88 2HB CYS 88 18.154 5.073 8.479 654 2HB CYS 88 3HB CYS 88 16.972 4.811 9.772 655 HG CYS 88 HG CYS 88 19.638 3.083 10.127 656 H ALA 89 H ALA 89 17.601 4.167 6.385 657 HA ALA 89 HA ALA 89 14.873 4.293 5.621 658 1HB ALA 89 1HB ALA 89 15.992 4.318 3.277 659 2HB ALA 89 2HB ALA 89 16.474 5.592 4.423 660 3HB ALA 89 3HB ALA 89 17.518 4.189 4.136 661 H ASN 90 H ASN 90 17.307 1.679 5.324 662 HA ASN 90 HA ASN 90 15.598 0.047 3.639 663 1HB ASN 90 2HB ASN 90 18.147 -0.480 5.165 664 2HB ASN 90 3HB ASN 90 17.186 -1.832 4.562 665 1HD2 ASN 90 1HD2 ASN 90 19.040 -2.388 3.186 666 2HD2 ASN 90 2HD2 ASN 90 19.228 -1.507 1.682 667 H ARG 91 H ARG 91 16.149 0.313 7.125 668 HA ARG 91 HA ARG 91 14.383 -1.818 7.896 669 1HB ARG 91 2HB ARG 91 15.971 0.297 9.176 670 2HB ARG 91 3HB ARG 91 14.406 0.170 9.949 671 1HG ARG 91 2HG ARG 91 16.108 -2.283 9.363 672 2HG ARG 91 3HG ARG 91 16.371 -1.296 10.807 673 1HD ARG 91 2HD ARG 91 14.207 -1.653 11.647 674 2HD ARG 91 3HD ARG 91 13.616 -2.405 10.145 675 HE ARG 91 HE ARG 91 15.656 -4.058 10.810 676 1HH1 ARG 91 2HH2 ARG 91 12.960 -2.850 12.742 677 2HH1 ARG 91 1HH2 ARG 91 12.794 -4.285 13.701 678 1HH2 ARG 91 2HH1 ARG 91 15.421 -6.006 12.025 679 2HH2 ARG 91 1HH1 ARG 91 14.220 -6.128 13.265 680 H ILE 92 H ILE 92 13.783 1.739 7.660 681 HA ILE 92 HA ILE 92 11.010 1.395 8.323 682 HB ILE 92 HB ILE 92 10.686 3.693 7.510 683 1HG1 ILE 92 2HG1 ILE 92 13.408 4.529 7.280 684 2HG1 ILE 92 3HG1 ILE 92 13.000 3.315 6.054 685 1HG2 ILE 92 1HG2 ILE 92 11.291 3.257 9.832 686 2HG2 ILE 92 2HG2 ILE 92 13.018 3.249 9.408 687 3HG2 ILE 92 3HG2 ILE 92 12.071 4.741 9.258 688 1HD1 ILE 92 1HD1 ILE 92 11.053 4.602 5.330 689 2HD1 ILE 92 2HD1 ILE 92 11.434 5.858 6.539 690 3HD1 ILE 92 3HD1 ILE 92 12.550 5.538 5.192 691 H GLU 93 H GLU 93 12.717 1.217 5.202 692 HA GLU 93 HA GLU 93 10.568 1.333 3.437 693 1HB GLU 93 2HB GLU 93 12.901 1.329 2.763 694 2HB GLU 93 3HB GLU 93 13.162 -0.292 3.386 695 1HG GLU 93 2HG GLU 93 11.052 0.219 1.297 696 2HG GLU 93 3HG GLU 93 12.768 0.177 0.853 697 H LYS 94 H LYS 94 12.070 -1.610 4.925 698 HA LYS 94 HA LYS 94 10.066 -3.355 4.038 699 1HB LYS 94 2HB LYS 94 12.368 -3.526 5.823 700 2HB LYS 94 3HB LYS 94 10.995 -4.327 6.573 701 1HG LYS 94 2HG LYS 94 12.023 -6.022 5.328 702 2HG LYS 94 3HG LYS 94 10.590 -5.572 4.411 703 1HD LYS 94 2HD LYS 94 12.344 -5.834 2.835 704 2HD LYS 94 3HD LYS 94 12.062 -4.109 2.953 705 1HE LYS 94 2HE LYS 94 14.118 -5.038 4.901 706 2HE LYS 94 3HE LYS 94 14.502 -5.534 3.251 707 1HZ LYS 94 1HZ LYS 94 14.108 -3.160 2.628 708 2HZ LYS 94 2HZ LYS 94 14.121 -2.775 4.209 709 3HZ LYS 94 3HZ LYS 94 15.454 -3.453 3.528 710 H ARG 95 H ARG 95 9.799 -1.014 6.595 711 HA ARG 95 HA ARG 95 7.292 -2.285 7.667 712 1HB ARG 95 2HB ARG 95 8.819 0.245 8.252 713 2HB ARG 95 3HB ARG 95 7.082 0.213 8.533 714 1HG ARG 95 2HG ARG 95 8.435 -0.290 10.485 715 2HG ARG 95 3HG ARG 95 7.217 -1.510 10.126 716 1HD ARG 95 2HD ARG 95 10.093 -1.828 9.167 717 2HD ARG 95 3HD ARG 95 9.676 -2.277 10.810 718 HE ARG 95 HE ARG 95 8.973 -3.682 8.355 719 1HH1 ARG 95 2HH2 ARG 95 7.918 -3.087 11.652 720 2HH1 ARG 95 1HH2 ARG 95 7.088 -4.599 11.856 721 1HH2 ARG 95 2HH1 ARG 95 7.847 -5.694 8.544 722 2HH2 ARG 95 1HH1 ARG 95 7.046 -6.119 10.024 723 H LEU 96 H LEU 96 7.965 0.806 6.085 724 HA LEU 96 HA LEU 96 5.296 1.407 5.557 725 1HB LEU 96 2HB LEU 96 7.711 2.302 3.961 726 2HB LEU 96 3HB LEU 96 6.085 2.993 3.902 727 HG LEU 96 HG LEU 96 8.149 3.256 6.117 728 1HD1 LEU 96 1HD1 LEU 96 7.817 4.915 4.244 729 2HD1 LEU 96 2HD1 LEU 96 6.183 5.204 4.858 730 3HD1 LEU 96 3HD1 LEU 96 7.593 5.592 5.870 731 1HD2 LEU 96 1HD2 LEU 96 6.339 2.517 7.421 732 2HD2 LEU 96 2HD2 LEU 96 6.397 4.277 7.549 733 3HD2 LEU 96 3HD2 LEU 96 5.165 3.519 6.519 734 H ASN 97 H ASN 97 7.524 -0.358 3.510 735 HA ASN 97 HA ASN 97 6.429 -0.824 1.115 736 1HB ASN 97 2HB ASN 97 8.442 -1.845 2.100 737 2HB ASN 97 3HB ASN 97 7.445 -3.007 2.990 738 1HD2 ASN 97 1HD2 ASN 97 9.584 -2.834 0.609 739 2HD2 ASN 97 2HD2 ASN 97 8.889 -3.912 -0.601 740 H LYS 98 H LYS 98 5.107 -2.262 4.142 741 HA LYS 98 HA LYS 98 2.525 -2.062 3.069 742 1HB LYS 98 2HB LYS 98 1.728 -4.378 3.126 743 2HB LYS 98 3HB LYS 98 2.757 -4.006 1.765 744 1HG LYS 98 2HG LYS 98 4.361 -4.933 4.040 745 2HG LYS 98 3HG LYS 98 3.080 -6.078 3.695 746 1HD LYS 98 2HD LYS 98 3.938 -6.596 1.566 747 2HD LYS 98 3HD LYS 98 4.736 -5.030 1.407 748 1HE LYS 98 2HE LYS 98 6.443 -5.593 2.986 749 2HE LYS 98 3HE LYS 98 5.588 -7.051 3.524 750 1HZ LYS 98 1HZ LYS 98 6.744 -6.657 0.844 751 2HZ LYS 98 2HZ LYS 98 7.417 -7.555 2.052 752 3HZ LYS 98 3HZ LYS 98 5.999 -8.033 1.385 753 H ILE 99 H ILE 99 2.659 -0.793 5.098 754 HA ILE 99 HA ILE 99 2.442 -2.216 7.635 755 HB ILE 99 HB ILE 99 1.422 0.526 6.801 756 1HG1 ILE 99 2HG1 ILE 99 3.787 -0.371 8.516 757 2HG1 ILE 99 3HG1 ILE 99 3.889 0.212 6.852 758 1HG2 ILE 99 1HG2 ILE 99 0.986 0.949 9.174 759 2HG2 ILE 99 2HG2 ILE 99 0.059 -0.451 8.716 760 3HG2 ILE 99 3HG2 ILE 99 1.572 -0.670 9.610 761 1HD1 ILE 99 1HD1 ILE 99 2.938 1.857 9.244 762 2HD1 ILE 99 2HD1 ILE 99 4.470 1.989 8.412 763 3HD1 ILE 99 3HD1 ILE 99 2.972 2.409 7.552 764 H GLU 100 H GLU 100 -0.228 -0.498 6.029 765 HA GLU 100 HA GLU 100 -1.866 -2.975 5.990 766 1HB GLU 100 2HB GLU 100 -2.576 -0.360 7.350 767 2HB GLU 100 3HB GLU 100 -3.830 -1.326 6.536 768 1HG GLU 100 2HG GLU 100 -3.138 -3.314 7.887 769 2HG GLU 100 3HG GLU 100 -2.077 -2.249 8.827 770 H GLY 101 H GLY 101 -3.102 0.217 5.180 771 1HA GLY 101 2HA GLY 101 -3.540 -0.761 2.489 772 2HA GLY 101 3HA GLY 101 -4.122 0.762 3.193 773 H VAL 102 H VAL 102 -0.884 -0.686 2.621 774 HA VAL 102 HA VAL 102 -0.034 1.824 1.218 775 HB VAL 102 HB VAL 102 1.774 -0.144 2.597 776 1HG1 VAL 102 1HG1 VAL 102 2.115 2.458 1.092 777 2HG1 VAL 102 2HG1 VAL 102 3.261 2.044 2.340 778 3HG1 VAL 102 3HG1 VAL 102 3.029 0.950 0.958 779 1HG2 VAL 102 1HG2 VAL 102 2.077 1.484 4.371 780 2HG2 VAL 102 2HG2 VAL 102 0.874 2.558 3.650 781 3HG2 VAL 102 3HG2 VAL 102 0.381 0.988 4.307 782 H ALA 103 H ALA 103 0.248 1.640 -0.883 783 HA ALA 103 HA ALA 103 0.143 -0.967 -2.183 784 1HB ALA 103 1HB ALA 103 0.589 1.832 -3.295 785 2HB ALA 103 2HB ALA 103 0.520 0.346 -4.259 786 3HB ALA 103 3HB ALA 103 -0.904 0.869 -3.357 787 H ASN 104 H ASN 104 2.499 1.732 -1.693 788 HA ASN 104 HA ASN 104 4.756 -0.148 -1.813 789 1HB ASN 104 2HB ASN 104 4.674 2.082 -3.882 790 2HB ASN 104 3HB ASN 104 5.918 0.858 -3.676 791 1HD2 ASN 104 1HD2 ASN 104 3.151 1.706 -5.430 792 2HD2 ASN 104 2HD2 ASN 104 2.754 0.114 -6.065 793 H ALA 105 H ALA 105 6.849 1.161 -1.702 794 HA ALA 105 HA ALA 105 6.690 3.853 -0.715 795 1HB ALA 105 1HB ALA 105 7.440 3.489 1.589 796 2HB ALA 105 2HB ALA 105 5.876 2.701 1.323 797 3HB ALA 105 3HB ALA 105 7.357 1.728 1.357 798 HA PRO 106 HA PRO 106 10.865 2.551 -2.224 799 1HB PRO 106 2HB PRO 106 11.181 4.366 -4.264 800 2HB PRO 106 3HB PRO 106 10.389 2.775 -4.445 801 1HG PRO 106 2HG PRO 106 9.103 5.467 -4.118 802 2HG PRO 106 3HG PRO 106 8.613 4.140 -5.195 803 1HD PRO 106 2HD PRO 106 7.413 4.650 -2.755 804 2HD PRO 106 3HD PRO 106 7.502 3.017 -3.471 805 H VAL 107 H VAL 107 12.770 3.504 -1.542 806 HA VAL 107 HA VAL 107 12.551 6.123 -0.154 807 HB VAL 107 HB VAL 107 14.186 3.744 0.814 808 1HG1 VAL 107 1HG1 VAL 107 14.851 5.888 1.769 809 2HG1 VAL 107 2HG1 VAL 107 13.162 6.302 2.106 810 3HG1 VAL 107 3HG1 VAL 107 13.928 5.000 3.001 811 1HG2 VAL 107 1HG2 VAL 107 11.969 2.863 0.904 812 2HG2 VAL 107 2HG2 VAL 107 12.309 3.465 2.534 813 3HG2 VAL 107 3HG2 VAL 107 11.297 4.409 1.443 814 H ASN 108 H ASN 108 14.442 7.441 -0.149 815 HA ASN 108 HA ASN 108 16.514 6.634 -2.165 816 1HB ASN 108 2HB ASN 108 15.561 9.382 -1.303 817 2HB ASN 108 3HB ASN 108 16.925 9.071 -2.376 818 1HD2 ASN 108 1HD2 ASN 108 16.169 7.282 -4.241 819 2HD2 ASN 108 2HD2 ASN 108 14.752 7.863 -5.091 820 H PHE 109 H PHE 109 18.628 7.357 -1.732 821 HA PHE 109 HA PHE 109 19.281 7.675 1.161 822 1HB PHE 109 2HB PHE 109 19.837 5.544 -0.589 823 2HB PHE 109 3HB PHE 109 21.316 6.473 -0.590 824 HD1 PHE 109 1HD PHE 109 22.484 6.916 1.657 825 HD2 PHE 109 2HD PHE 109 19.047 4.330 1.344 826 HE1 PHE 109 1HE PHE 109 22.864 6.125 3.956 827 HE2 PHE 109 2HE PHE 109 19.524 3.426 3.584 828 HZ PHE 109 HZ PHE 109 21.449 4.286 4.902 829 H ALA 110 H ALA 110 18.947 9.557 -1.203 830 HA ALA 110 HA ALA 110 21.624 10.936 -1.128 831 1HB ALA 110 1HB ALA 110 19.778 10.580 -3.535 832 2HB ALA 110 2HB ALA 110 21.264 11.552 -3.487 833 3HB ALA 110 3HB ALA 110 21.352 9.791 -3.290 834 H LEU 111 H LEU 111 18.134 11.254 -1.874 835 HA LEU 111 HA LEU 111 18.072 14.086 -1.207 836 1HB LEU 111 2HB LEU 111 15.773 12.142 -1.394 837 2HB LEU 111 3HB LEU 111 15.724 13.899 -1.590 838 HG LEU 111 HG LEU 111 16.888 11.814 -3.493 839 1HD1 LEU 111 1HD1 LEU 111 14.602 13.799 -3.804 840 2HD1 LEU 111 2HD1 LEU 111 15.145 12.613 -5.011 841 3HD1 LEU 111 3HD1 LEU 111 14.433 12.060 -3.486 842 1HD2 LEU 111 1HD2 LEU 111 18.356 13.809 -3.581 843 2HD2 LEU 111 2HD2 LEU 111 17.351 13.731 -5.032 844 3HD2 LEU 111 3HD2 LEU 111 16.935 14.865 -3.730 845 H GLU 112 H GLU 112 17.900 11.070 0.521 846 HA GLU 112 HA GLU 112 17.520 10.447 2.631 847 1HB GLU 112 2HB GLU 112 17.692 13.405 3.350 848 2HB GLU 112 3HB GLU 112 17.765 12.056 4.472 849 1HG GLU 112 2HG GLU 112 19.814 11.214 3.474 850 2HG GLU 112 3HG GLU 112 19.735 12.383 2.149 851 H THR 113 H THR 113 15.435 10.389 0.968 852 HA THR 113 HA THR 113 13.060 11.367 2.476 853 HB THR 113 HB THR 113 12.036 11.676 0.238 854 HG1 THR 113 1HG THR 113 13.146 11.148 -1.550 855 1HG2 THR 113 1HG2 THR 113 14.716 13.096 0.568 856 2HG2 THR 113 2HG2 THR 113 13.455 13.588 -0.541 857 3HG2 THR 113 3HG2 THR 113 13.189 13.618 1.236 858 H VAL 114 H VAL 114 11.133 10.180 2.166 859 HA VAL 114 HA VAL 114 11.318 7.559 0.841 860 HB VAL 114 HB VAL 114 11.339 6.955 3.140 861 1HG1 VAL 114 1HG1 VAL 114 8.832 8.597 3.629 862 2HG1 VAL 114 2HG1 VAL 114 9.708 7.591 4.791 863 3HG1 VAL 114 3HG1 VAL 114 10.457 9.069 4.168 864 1HG2 VAL 114 1HG2 VAL 114 9.613 5.450 3.125 865 2HG2 VAL 114 2HG2 VAL 114 8.439 6.591 2.417 866 3HG2 VAL 114 3HG2 VAL 114 9.700 5.875 1.411 867 H THR 115 H THR 115 9.932 7.434 -0.782 868 HA THR 115 HA THR 115 7.592 9.254 -0.921 869 HB THR 115 HB THR 115 8.619 7.130 -2.802 870 HG1 THR 115 1HG THR 115 9.025 9.947 -3.153 871 1HG2 THR 115 1HG2 THR 115 7.206 8.214 -4.504 872 2HG2 THR 115 2HG2 THR 115 6.236 7.615 -3.150 873 3HG2 THR 115 3HG2 THR 115 6.592 9.350 -3.282 874 H VAL 116 H VAL 116 5.549 8.330 -0.451 875 HA VAL 116 HA VAL 116 5.392 5.393 0.038 876 HB VAL 116 HB VAL 116 5.822 6.425 2.173 877 1HG1 VAL 116 1HG1 VAL 116 4.340 7.943 3.239 878 2HG1 VAL 116 2HG1 VAL 116 4.795 8.670 1.687 879 3HG1 VAL 116 3HG1 VAL 116 3.198 7.925 1.893 880 1HG2 VAL 116 1HG2 VAL 116 3.897 5.485 3.398 881 2HG2 VAL 116 2HG2 VAL 116 2.979 5.386 1.887 882 3HG2 VAL 116 3HG2 VAL 116 4.441 4.410 2.099 883 H GLU 117 H GLU 117 3.861 4.514 -1.114 884 HA GLU 117 HA GLU 117 1.665 6.188 -2.228 885 1HB GLU 117 2HB GLU 117 3.016 3.582 -3.067 886 2HB GLU 117 3HB GLU 117 1.425 4.045 -3.687 887 1HG GLU 117 2HG GLU 117 2.222 6.062 -4.584 888 2HG GLU 117 3HG GLU 117 3.865 5.845 -3.924 889 H TYR 118 H TYR 118 0.137 6.137 -0.546 890 HA TYR 118 HA TYR 118 -0.874 3.491 0.213 891 1HB TYR 118 2HB TYR 118 -0.609 3.767 2.531 892 2HB TYR 118 3HB TYR 118 0.976 4.215 1.903 893 HD1 TYR 118 HD1 TYR 118 1.172 6.901 1.371 894 HD2 TYR 118 HD2 TYR 118 -1.675 5.115 4.066 895 HE1 TYR 118 HE1 TYR 118 0.823 9.097 2.465 896 HE2 TYR 118 HE2 TYR 118 -2.004 7.299 5.153 897 HH TYR 118 HH TYR 118 -1.693 9.563 4.915 898 H ASN 119 H ASN 119 -2.908 3.572 1.308 899 HA ASN 119 HA ASN 119 -4.565 5.474 -0.099 900 1HB ASN 119 2HB ASN 119 -4.936 2.925 0.523 901 2HB ASN 119 3HB ASN 119 -5.639 3.566 1.998 902 1HD2 ASN 119 1HD2 ASN 119 -7.300 5.534 1.445 903 2HD2 ASN 119 2HD2 ASN 119 -8.243 5.298 -0.015 904 HA PRO 120 HA PRO 120 -4.264 8.038 3.633 905 1HB PRO 120 2HB PRO 120 -5.080 10.450 2.695 906 2HB PRO 120 3HB PRO 120 -3.583 9.694 2.083 907 1HG PRO 120 2HG PRO 120 -6.341 9.553 0.817 908 2HG PRO 120 3HG PRO 120 -4.814 10.069 0.039 909 1HD PRO 120 2HD PRO 120 -5.770 7.501 -0.125 910 2HD PRO 120 3HD PRO 120 -4.024 7.866 -0.070 911 H LYS 121 H LYS 121 -6.391 6.187 3.297 912 HA LYS 121 HA LYS 121 -8.569 7.612 4.767 913 1HB LYS 121 2HB LYS 121 -8.891 5.302 2.806 914 2HB LYS 121 3HB LYS 121 -10.178 6.099 3.691 915 1HG LYS 121 2HG LYS 121 -8.350 7.549 1.675 916 2HG LYS 121 3HG LYS 121 -9.804 6.713 1.254 917 1HD LYS 121 2HD LYS 121 -11.092 8.117 2.889 918 2HD LYS 121 3HD LYS 121 -9.593 9.001 3.263 919 1HE LYS 121 2HE LYS 121 -9.422 9.758 0.917 920 2HE LYS 121 3HE LYS 121 -10.872 8.829 0.489 921 1HZ LYS 121 1HZ LYS 121 -10.790 11.075 2.391 922 2HZ LYS 121 2HZ LYS 121 -11.368 11.140 0.851 923 3HZ LYS 121 3HZ LYS 121 -12.133 10.216 1.976 924 H GLU 122 H GLU 122 -7.467 4.270 3.954 925 HA GLU 122 HA GLU 122 -8.062 3.119 6.417 926 1HB GLU 122 2HB GLU 122 -6.043 2.483 4.234 927 2HB GLU 122 3HB GLU 122 -6.172 1.486 5.698 928 1HG GLU 122 2HG GLU 122 -7.493 0.538 3.881 929 2HG GLU 122 3HG GLU 122 -8.525 1.003 5.227 930 H ALA 123 H ALA 123 -5.135 4.959 5.488 931 HA ALA 123 HA ALA 123 -4.371 5.073 8.350 932 1HB ALA 123 1HB ALA 123 -2.004 4.628 7.780 933 2HB ALA 123 2HB ALA 123 -3.022 3.233 7.392 934 3HB ALA 123 3HB ALA 123 -2.465 4.303 6.095 935 H SER 124 H SER 124 -2.500 6.775 8.512 936 HA SER 124 HA SER 124 -2.882 9.065 6.679 937 1HB SER 124 2HB SER 124 -3.545 9.123 9.658 938 2HB SER 124 3HB SER 124 -3.502 10.537 8.580 939 HG SER 124 HG SER 124 -5.632 9.602 8.887 940 H VAL 125 H VAL 125 -1.309 10.865 7.321 941 HA VAL 125 HA VAL 125 1.256 9.923 7.636 942 HB VAL 125 HB VAL 125 0.477 12.710 8.533 943 1HG1 VAL 125 1HG1 VAL 125 2.621 13.301 7.453 944 2HG1 VAL 125 2HG1 VAL 125 2.890 12.059 8.674 945 3HG1 VAL 125 3HG1 VAL 125 2.854 11.607 6.968 946 1HG2 VAL 125 1HG2 VAL 125 -0.760 12.476 6.441 947 2HG2 VAL 125 2HG2 VAL 125 0.715 13.361 6.088 948 3HG2 VAL 125 3HG2 VAL 125 0.613 11.641 5.675 949 H SER 126 H SER 126 -1.044 10.593 10.246 950 HA SER 126 HA SER 126 0.795 10.592 12.442 951 1HB SER 126 2HB SER 126 -2.069 9.620 12.379 952 2HB SER 126 3HB SER 126 -1.119 10.154 13.784 953 HG SER 126 HG SER 126 -2.382 11.885 12.954 954 H ASP 127 H ASP 127 -0.658 7.933 10.570 955 HA ASP 127 HA ASP 127 0.175 5.795 12.355 956 1HB ASP 127 2HB ASP 127 -1.632 5.414 10.755 957 2HB ASP 127 3HB ASP 127 -0.589 5.870 9.396 958 H LEU 128 H LEU 128 1.355 7.264 9.374 959 HA LEU 128 HA LEU 128 3.684 5.669 9.016 960 1HB LEU 128 2HB LEU 128 3.203 8.545 8.175 961 2HB LEU 128 3HB LEU 128 4.509 7.502 7.600 962 HG LEU 128 HG LEU 128 1.518 6.981 7.174 963 1HD1 LEU 128 1HD1 LEU 128 2.312 8.882 5.872 964 2HD1 LEU 128 2HD1 LEU 128 3.772 7.987 5.411 965 3HD1 LEU 128 3HD1 LEU 128 2.183 7.482 4.788 966 1HD2 LEU 128 1HD2 LEU 128 2.343 5.252 5.555 967 2HD2 LEU 128 2HD2 LEU 128 3.995 5.521 6.145 968 3HD2 LEU 128 3HD2 LEU 128 2.746 4.841 7.218 969 H LYS 129 H LYS 129 3.290 8.881 10.555 970 HA LYS 129 HA LYS 129 5.973 9.079 11.489 971 1HB LYS 129 2HB LYS 129 3.371 10.272 12.498 972 2HB LYS 129 3HB LYS 129 4.918 10.532 13.315 973 1HG LYS 129 2HG LYS 129 5.957 11.285 11.228 974 2HG LYS 129 3HG LYS 129 4.429 11.195 10.364 975 1HD LYS 129 2HD LYS 129 4.728 12.875 12.904 976 2HD LYS 129 3HD LYS 129 5.425 13.462 11.396 977 1HE LYS 129 2HE LYS 129 3.145 14.378 11.868 978 2HE LYS 129 3HE LYS 129 3.340 13.615 10.287 979 1HZ LYS 129 1HZ LYS 129 1.300 12.926 11.371 980 2HZ LYS 129 2HZ LYS 129 2.311 11.639 11.160 981 3HZ LYS 129 3HZ LYS 129 2.145 12.327 12.647 982 H GLU 130 H GLU 130 3.061 7.606 13.190 983 HA GLU 130 HA GLU 130 4.505 6.957 15.491 984 1HB GLU 130 2HB GLU 130 2.005 6.840 14.995 985 2HB GLU 130 3HB GLU 130 2.282 5.225 14.333 986 1HG GLU 130 2HG GLU 130 3.164 6.055 17.149 987 2HG GLU 130 3HG GLU 130 1.527 5.534 16.747 988 H ALA 131 H ALA 131 4.134 5.079 12.455 989 HA ALA 131 HA ALA 131 5.519 2.761 13.313 990 1HB ALA 131 1HB ALA 131 5.313 3.950 10.511 991 2HB ALA 131 2HB ALA 131 5.776 2.282 10.913 992 3HB ALA 131 3HB ALA 131 4.139 2.866 11.283 993 H VAL 132 H VAL 132 6.800 5.666 11.532 994 HA VAL 132 HA VAL 132 9.466 4.629 11.483 995 HB VAL 132 HB VAL 132 8.316 7.378 10.941 996 1HG1 VAL 132 1HG1 VAL 132 10.574 7.715 9.775 997 2HG1 VAL 132 2HG1 VAL 132 10.625 7.726 11.542 998 3HG1 VAL 132 3HG1 VAL 132 11.129 6.274 10.645 999 1HG2 VAL 132 1HG2 VAL 132 8.860 6.634 8.575 1000 2HG2 VAL 132 2HG2 VAL 132 9.285 5.042 9.208 1001 3HG2 VAL 132 3HG2 VAL 132 7.619 5.633 9.342 1002 H ASP 133 H ASP 133 7.678 6.690 13.767 1003 HA ASP 133 HA ASP 133 9.809 7.490 15.386 1004 1HB ASP 133 2HB ASP 133 6.830 7.165 15.758 1005 2HB ASP 133 3HB ASP 133 7.849 7.375 17.159 1006 H LYS 134 H LYS 134 7.588 4.705 15.641 1007 HA LYS 134 HA LYS 134 8.850 3.443 17.808 1008 1HB LYS 134 2HB LYS 134 6.583 3.038 16.734 1009 2HB LYS 134 3HB LYS 134 7.400 2.014 15.542 1010 1HG LYS 134 2HG LYS 134 8.158 0.515 17.354 1011 2HG LYS 134 3HG LYS 134 7.527 1.650 18.572 1012 1HD LYS 134 2HD LYS 134 5.244 1.427 17.601 1013 2HD LYS 134 3HD LYS 134 5.857 0.211 16.465 1014 1HE LYS 134 2HE LYS 134 6.517 -1.245 18.398 1015 2HE LYS 134 3HE LYS 134 5.937 -0.003 19.523 1016 1HZ LYS 134 1HZ LYS 134 3.739 -0.269 18.587 1017 2HZ LYS 134 2HZ LYS 134 4.267 -1.468 17.593 1018 3HZ LYS 134 3HZ LYS 134 4.291 -1.684 19.225 1019 H LEU 135 H LEU 135 9.517 3.171 14.315 1020 HA LEU 135 HA LEU 135 11.671 1.234 14.567 1021 1HB LEU 135 2HB LEU 135 10.636 3.105 12.469 1022 2HB LEU 135 3HB LEU 135 12.262 2.500 12.270 1023 HG LEU 135 HG LEU 135 10.377 1.245 11.107 1024 1HD1 LEU 135 1HD1 LEU 135 12.697 0.446 11.384 1025 2HD1 LEU 135 2HD1 LEU 135 12.206 -0.421 12.857 1026 3HD1 LEU 135 3HD1 LEU 135 11.504 -0.848 11.273 1027 1HD2 LEU 135 1HD2 LEU 135 9.849 0.172 13.926 1028 2HD2 LEU 135 2HD2 LEU 135 8.709 0.980 12.831 1029 3HD2 LEU 135 3HD2 LEU 135 9.344 -0.622 12.451 1030 H GLY 136 H GLY 136 11.526 4.629 15.337 1031 1HA GLY 136 2HA GLY 136 13.059 5.487 16.849 1032 2HA GLY 136 3HA GLY 136 14.321 4.398 16.276 1033 H TYR 137 H TYR 137 12.264 6.444 14.156 1034 HA TYR 137 HA TYR 137 14.464 8.408 13.782 1035 1HB TYR 137 2HB TYR 137 12.992 7.131 11.462 1036 2HB TYR 137 3HB TYR 137 14.377 8.191 11.376 1037 HD1 TYR 137 HD1 TYR 137 13.225 4.804 11.427 1038 HD2 TYR 137 HD2 TYR 137 16.554 7.228 12.677 1039 HE1 TYR 137 HE1 TYR 137 14.635 2.769 11.628 1040 HE2 TYR 137 HE2 TYR 137 17.917 5.203 12.984 1041 HH TYR 137 HH TYR 137 18.068 2.972 12.512 1042 H LYS 138 H LYS 138 13.331 10.255 12.168 1043 HA LYS 138 HA LYS 138 10.433 10.370 12.877 1044 1HB LYS 138 2HB LYS 138 10.510 12.570 13.599 1045 2HB LYS 138 3HB LYS 138 11.852 11.794 14.423 1046 1HG LYS 138 2HG LYS 138 12.957 13.682 13.699 1047 2HG LYS 138 3HG LYS 138 13.252 12.614 12.361 1048 1HD LYS 138 2HD LYS 138 12.721 14.639 11.385 1049 2HD LYS 138 3HD LYS 138 11.279 13.763 11.144 1050 1HE LYS 138 2HE LYS 138 11.668 15.641 13.526 1051 2HE LYS 138 3HE LYS 138 11.204 16.228 11.934 1052 1HZ LYS 138 1HZ LYS 138 9.303 14.748 11.980 1053 2HZ LYS 138 2HZ LYS 138 9.662 14.308 13.531 1054 3HZ LYS 138 3HZ LYS 138 9.258 15.866 13.200 1055 H LEU 139 H LEU 139 9.160 11.430 11.397 1056 HA LEU 139 HA LEU 139 10.398 11.860 8.741 1057 1HB LEU 139 2HB LEU 139 7.520 11.408 9.550 1058 2HB LEU 139 3HB LEU 139 8.042 11.794 7.912 1059 HG LEU 139 HG LEU 139 8.903 9.321 9.474 1060 1HD1 LEU 139 1HD1 LEU 139 7.390 8.182 7.809 1061 2HD1 LEU 139 2HD1 LEU 139 6.545 9.269 8.927 1062 3HD1 LEU 139 3HD1 LEU 139 6.880 9.789 7.258 1063 1HD2 LEU 139 1HD2 LEU 139 10.626 9.904 7.822 1064 2HD2 LEU 139 2HD2 LEU 139 9.699 8.535 7.219 1065 3HD2 LEU 139 3HD2 LEU 139 9.389 10.155 6.571 1066 H LYS 140 H LYS 140 9.954 13.577 7.545 1067 HA LYS 140 HA LYS 140 8.725 16.068 8.658 1068 1HB LYS 140 2HB LYS 140 11.201 15.471 7.037 1069 2HB LYS 140 3HB LYS 140 10.337 16.953 6.667 1070 1HG LYS 140 2HG LYS 140 11.356 16.284 9.462 1071 2HG LYS 140 3HG LYS 140 12.336 17.040 8.209 1072 1HD LYS 140 2HD LYS 140 10.448 18.786 7.951 1073 2HD LYS 140 3HD LYS 140 9.824 18.181 9.504 1074 1HE LYS 140 2HE LYS 140 12.039 18.699 10.557 1075 2HE LYS 140 3HE LYS 140 12.671 19.192 8.979 1076 1HZ LYS 140 1HZ LYS 140 11.129 20.981 8.925 1077 2HZ LYS 140 2HZ LYS 140 10.511 20.570 10.401 1078 3HZ LYS 140 3HZ LYS 140 12.080 21.055 10.264 1079 H LEU 141 H LEU 141 7.658 17.278 6.830 1080 HA LEU 141 HA LEU 141 6.518 15.442 4.756 1081 1HB LEU 141 2HB LEU 141 5.533 18.157 5.745 1082 2HB LEU 141 3HB LEU 141 4.782 17.098 4.559 1083 HG LEU 141 HG LEU 141 4.795 15.343 6.578 1084 1HD1 LEU 141 1HD1 LEU 141 5.967 16.748 8.243 1085 2HD1 LEU 141 2HD1 LEU 141 4.764 18.034 8.017 1086 3HD1 LEU 141 3HD1 LEU 141 4.295 16.480 8.732 1087 1HD2 LEU 141 1HD2 LEU 141 2.509 16.113 7.128 1088 2HD2 LEU 141 2HD2 LEU 141 2.849 17.679 6.355 1089 3HD2 LEU 141 3HD2 LEU 141 2.804 16.196 5.383 1090 H LYS 142 H LYS 142 7.142 15.837 2.584 1091 HA LYS 142 HA LYS 142 8.833 18.242 2.100 1092 1HB LYS 142 2HB LYS 142 7.965 15.946 0.315 1093 2HB LYS 142 3HB LYS 142 8.870 17.382 -0.211 1094 1HG LYS 142 2HG LYS 142 10.585 16.865 1.602 1095 2HG LYS 142 3HG LYS 142 9.756 15.331 1.855 1096 1HD LYS 142 2HD LYS 142 11.783 15.199 0.470 1097 2HD LYS 142 3HD LYS 142 10.373 14.546 -0.360 1098 1HE LYS 142 2HE LYS 142 11.147 17.445 -0.840 1099 2HE LYS 142 3HE LYS 142 12.165 16.183 -1.529 1100 1HZ LYS 142 1HZ LYS 142 9.283 16.490 -2.046 1101 2HZ LYS 142 2HZ LYS 142 10.511 16.760 -3.106 1102 3HZ LYS 142 3HZ LYS 142 10.152 15.240 -2.589 1103 H GLY 143 H GLY 143 6.896 19.438 2.973 1104 1HA GLY 143 2HA GLY 143 5.398 21.125 2.467 1105 2HA GLY 143 3HA GLY 143 5.525 20.743 0.743 1106 H GLU 144 H GLU 144 4.603 18.359 0.302 1107 HA GLU 144 HA GLU 144 2.671 17.193 -0.060 1108 1HB GLU 144 2HB GLU 144 2.503 17.543 2.964 1109 2HB GLU 144 3HB GLU 144 1.465 16.461 2.048 1110 1HG GLU 144 2HG GLU 144 4.477 16.183 1.738 1111 2HG GLU 144 3HG GLU 144 3.647 15.519 3.150 1112 H GLN 145 H GLN 145 2.520 20.024 -0.457 1113 HA GLN 145 HA GLN 145 -0.336 20.629 -0.404 1114 1HB GLN 145 2HB GLN 145 1.563 21.647 1.685 1115 2HB GLN 145 3HB GLN 145 0.546 22.871 0.935 1116 1HG GLN 145 2HG GLN 145 -1.472 21.848 1.610 1117 2HG GLN 145 3HG GLN 145 -0.679 20.344 2.076 1118 1HE2 GLN 145 1HE2 GLN 145 -2.197 21.063 3.993 1119 2HE2 GLN 145 2HE2 GLN 145 -1.317 21.883 5.277 1120 H ASP 146 H ASP 146 2.855 22.199 -0.388 1121 HA ASP 146 HA ASP 146 3.940 23.588 -1.732 1122 1HB ASP 146 2HB ASP 146 3.870 21.790 -3.373 1123 2HB ASP 146 3HB ASP 146 2.328 22.406 -4.009 1124 H SER 147 H SER 147 3.185 25.388 -0.742 1125 HA SER 147 HA SER 147 2.357 27.472 -0.603 1126 1HB SER 147 2HB SER 147 3.161 27.472 -3.036 1127 2HB SER 147 3HB SER 147 1.463 27.257 -3.501 1128 HG SER 147 HG SER 147 0.998 29.127 -2.227 1129 H ILE 148 H ILE 148 0.519 25.067 -0.196 1130 HA ILE 148 HA ILE 148 -2.102 26.513 -0.236 1131 HB ILE 148 HB ILE 148 -1.509 23.527 -0.350 1132 1HG1 ILE 148 2HG1 ILE 148 -2.698 25.457 -2.390 1133 2HG1 ILE 148 3HG1 ILE 148 -1.138 24.636 -2.496 1134 1HG2 ILE 148 1HG2 ILE 148 -3.939 23.218 -0.429 1135 2HG2 ILE 148 2HG2 ILE 148 -3.530 24.069 1.044 1136 3HG2 ILE 148 3HG2 ILE 148 -4.197 24.975 -0.327 1137 1HD1 ILE 148 1HD1 ILE 148 -2.615 23.442 -3.910 1138 2HD1 ILE 148 2HD1 ILE 148 -2.351 22.424 -2.480 1139 3HD1 ILE 148 3HD1 ILE 148 -3.870 23.334 -2.669 1140 H GLU 149 H GLU 149 -1.987 27.500 1.773 1141 HA GLU 149 HA GLU 149 -2.140 25.665 4.081 1142 1HB GLU 149 2HB GLU 149 0.227 26.535 3.965 1143 2HB GLU 149 3HB GLU 149 -0.414 28.180 4.107 1144 1HG GLU 149 2HG GLU 149 -1.416 27.562 6.317 1145 2HG GLU 149 3HG GLU 149 -0.769 25.919 6.132 1146 H GLY 150 H GLY 150 -4.251 26.040 4.611 1147 1HA GLY 150 2HA GLY 150 -5.349 27.831 6.043 1148 2HA GLY 150 3HA GLY 150 -5.315 28.847 4.600 1149 H ARG 151 H ARG 151 -6.703 28.294 2.772 1150 HA ARG 151 HA ARG 151 -8.864 26.376 3.286 1151 1HB ARG 151 2HB ARG 151 -9.228 29.031 3.939 1152 2HB ARG 151 3HB ARG 151 -9.581 29.092 2.215 1153 1HG ARG 151 2HG ARG 151 -10.937 27.359 4.328 1154 2HG ARG 151 3HG ARG 151 -11.593 28.814 3.569 1155 1HD ARG 151 2HD ARG 151 -11.447 27.545 1.313 1156 2HD ARG 151 3HD ARG 151 -11.014 26.131 2.244 1157 HE ARG 151 HE ARG 151 -13.138 25.801 2.916 1158 1HH1 ARG 151 2HH2 ARG 151 -12.884 29.061 1.650 1159 2HH1 ARG 151 1HH2 ARG 151 -14.589 29.411 1.674 1160 1HH2 ARG 151 2HH1 ARG 151 -15.419 26.199 3.007 1161 2HH2 ARG 151 1HH1 ARG 151 -16.068 27.720 2.485 Start of MODEL 9 1 1H MET 1 H1 MET 1 -4.698 -17.030 11.808 2 2H MET 1 H2 MET 1 -5.031 -15.399 11.657 3 3H MET 1 H3 MET 1 -5.439 -16.472 10.457 4 HA MET 1 HA MET 1 -3.504 -15.468 9.692 5 1HB MET 1 2HB MET 1 -2.957 -14.698 12.120 6 2HB MET 1 3HB MET 1 -2.155 -16.265 12.308 7 1HG MET 1 2HG MET 1 -0.784 -15.625 10.214 8 2HG MET 1 3HG MET 1 -1.479 -14.008 10.382 9 1HE MET 1 1HE MET 1 -1.461 -13.948 13.774 10 2HE MET 1 2HE MET 1 0.030 -13.001 13.933 11 3HE MET 1 3HE MET 1 -1.161 -12.565 12.685 12 H LEU 2 H LEU 2 -2.090 -16.927 8.452 13 HA LEU 2 HA LEU 2 -1.447 -19.585 9.321 14 1HB LEU 2 2HB LEU 2 -3.787 -20.051 8.942 15 2HB LEU 2 3HB LEU 2 -3.792 -19.153 7.428 16 HG LEU 2 HG LEU 2 -1.782 -21.299 7.341 17 1HD1 LEU 2 1HD1 LEU 2 -4.635 -22.158 7.937 18 2HD1 LEU 2 2HD1 LEU 2 -3.314 -23.207 7.377 19 3HD1 LEU 2 3HD1 LEU 2 -3.210 -22.430 8.967 20 1HD2 LEU 2 1HD2 LEU 2 -4.359 -20.837 5.772 21 2HD2 LEU 2 2HD2 LEU 2 -2.784 -20.121 5.372 22 3HD2 LEU 2 3HD2 LEU 2 -3.004 -21.879 5.292 23 H SER 3 H SER 3 0.442 -19.928 8.261 24 HA SER 3 HA SER 3 2.160 -19.734 6.871 25 1HB SER 3 2HB SER 3 0.520 -20.693 5.201 26 2HB SER 3 3HB SER 3 0.226 -19.038 4.627 27 HG SER 3 HG SER 3 1.872 -19.932 3.396 28 H GLU 4 H GLU 4 2.942 -18.134 4.941 29 HA GLU 4 HA GLU 4 3.521 -15.750 6.535 30 1HB GLU 4 2HB GLU 4 5.070 -17.420 5.035 31 2HB GLU 4 3HB GLU 4 4.767 -16.167 3.832 32 1HG GLU 4 2HG GLU 4 6.804 -15.624 4.988 33 2HG GLU 4 3HG GLU 4 5.591 -14.486 5.602 34 H GLN 5 H GLN 5 0.823 -15.816 5.349 35 HA GLN 5 HA GLN 5 0.832 -14.312 2.918 36 1HB GLN 5 2HB GLN 5 -1.494 -14.849 4.802 37 2HB GLN 5 3HB GLN 5 -1.578 -14.356 3.107 38 1HG GLN 5 2HG GLN 5 0.061 -16.566 2.899 39 2HG GLN 5 3HG GLN 5 -0.963 -17.023 4.262 40 1HE2 GLN 5 1HE2 GLN 5 -0.712 -16.997 0.899 41 2HE2 GLN 5 2HE2 GLN 5 -2.425 -16.998 0.493 42 H LYS 6 H LYS 6 -0.996 -12.423 2.960 43 HA LYS 6 HA LYS 6 -0.495 -10.470 5.105 44 1HB LYS 6 2HB LYS 6 0.099 -8.712 3.500 45 2HB LYS 6 3HB LYS 6 1.213 -10.083 3.306 46 1HG LYS 6 2HG LYS 6 -0.779 -10.775 1.515 47 2HG LYS 6 3HG LYS 6 -0.867 -9.028 1.415 48 1HD LYS 6 2HD LYS 6 1.610 -10.783 1.180 49 2HD LYS 6 3HD LYS 6 0.651 -10.294 -0.175 50 1HE LYS 6 2HE LYS 6 1.063 -7.811 0.852 51 2HE LYS 6 3HE LYS 6 2.481 -8.602 1.545 52 1HZ LYS 6 1HZ LYS 6 3.014 -7.625 -0.531 53 2HZ LYS 6 2HZ LYS 6 3.025 -9.257 -0.771 54 3HZ LYS 6 3HZ LYS 6 1.731 -8.345 -1.272 55 H GLU 7 H GLU 7 -2.149 -8.838 5.073 56 HA GLU 7 HA GLU 7 -4.569 -9.354 3.421 57 1HB GLU 7 2HB GLU 7 -4.426 -8.291 6.288 58 2HB GLU 7 3HB GLU 7 -5.861 -8.631 5.320 59 1HG GLU 7 2HG GLU 7 -5.760 -10.536 6.638 60 2HG GLU 7 3HG GLU 7 -4.855 -11.098 5.230 61 H ILE 8 H ILE 8 -4.345 -7.747 1.877 62 HA ILE 8 HA ILE 8 -3.333 -5.076 2.779 63 HB ILE 8 HB ILE 8 -2.491 -6.616 0.732 64 1HG1 ILE 8 2HG1 ILE 8 -1.600 -4.388 -0.250 65 2HG1 ILE 8 3HG1 ILE 8 -2.310 -3.668 1.204 66 1HG2 ILE 8 1HG2 ILE 8 -4.375 -4.664 -0.626 67 2HG2 ILE 8 2HG2 ILE 8 -3.156 -5.681 -1.411 68 3HG2 ILE 8 3HG2 ILE 8 -4.527 -6.435 -0.592 69 1HD1 ILE 8 1HD1 ILE 8 0.046 -4.281 1.552 70 2HD1 ILE 8 2HD1 ILE 8 -0.993 -5.272 2.598 71 3HD1 ILE 8 3HD1 ILE 8 -0.308 -5.961 1.108 72 H ALA 9 H ALA 9 -4.955 -3.773 3.470 73 HA ALA 9 HA ALA 9 -7.622 -3.946 2.161 74 1HB ALA 9 1HB ALA 9 -8.490 -3.087 4.275 75 2HB ALA 9 2HB ALA 9 -7.628 -4.623 4.505 76 3HB ALA 9 3HB ALA 9 -6.854 -3.091 4.968 77 H MET 10 H MET 10 -7.813 -2.329 0.697 78 HA MET 10 HA MET 10 -7.215 0.460 1.553 79 1HB MET 10 2HB MET 10 -6.448 -0.848 -1.107 80 2HB MET 10 3HB MET 10 -6.413 0.888 -0.786 81 1HG MET 10 2HG MET 10 -4.294 0.445 -0.281 82 2HG MET 10 3HG MET 10 -4.943 0.195 1.315 83 1HE MET 10 1HE MET 10 -2.996 -1.081 -1.685 84 2HE MET 10 2HE MET 10 -3.116 -2.848 -1.616 85 3HE MET 10 3HE MET 10 -4.539 -1.883 -2.072 86 H GLN 11 H GLN 11 -8.219 1.973 -0.291 87 HA GLN 11 HA GLN 11 -10.989 0.982 -0.703 88 1HB GLN 11 2HB GLN 11 -9.825 3.654 -0.058 89 2HB GLN 11 3HB GLN 11 -11.302 3.595 -1.052 90 1HG GLN 11 2HG GLN 11 -12.485 2.350 0.636 91 2HG GLN 11 3HG GLN 11 -11.001 2.102 1.568 92 1HE2 GLN 11 1HE2 GLN 11 -10.978 3.320 3.355 93 2HE2 GLN 11 2HE2 GLN 11 -11.700 4.925 3.523 94 H VAL 12 H VAL 12 -11.922 1.016 -2.715 95 HA VAL 12 HA VAL 12 -10.175 1.670 -5.037 96 HB VAL 12 HB VAL 12 -10.124 -0.696 -4.727 97 1HG1 VAL 12 1HG1 VAL 12 -12.214 -2.074 -4.768 98 2HG1 VAL 12 2HG1 VAL 12 -12.081 -1.103 -3.293 99 3HG1 VAL 12 3HG1 VAL 12 -13.173 -0.605 -4.590 100 1HG2 VAL 12 1HG2 VAL 12 -10.398 0.190 -7.026 101 2HG2 VAL 12 2HG2 VAL 12 -11.026 -1.459 -6.824 102 3HG2 VAL 12 3HG2 VAL 12 -12.151 -0.088 -6.891 103 H SER 13 H SER 13 -11.205 2.707 -6.735 104 HA SER 13 HA SER 13 -13.980 3.672 -6.159 105 1HB SER 13 2HB SER 13 -12.095 4.695 -8.256 106 2HB SER 13 3HB SER 13 -13.516 5.490 -7.564 107 HG SER 13 HG SER 13 -11.211 4.835 -6.032 108 H GLY 14 H GLY 14 -15.222 4.123 -8.230 109 1HA GLY 14 2HA GLY 14 -15.950 3.672 -10.378 110 2HA GLY 14 3HA GLY 14 -14.527 2.656 -10.660 111 H MET 15 H MET 15 -16.208 1.954 -7.737 112 HA MET 15 HA MET 15 -16.929 -0.694 -8.694 113 1HB MET 15 2HB MET 15 -17.566 0.724 -6.077 114 2HB MET 15 3HB MET 15 -17.822 -0.990 -6.440 115 1HG MET 15 2HG MET 15 -15.119 -0.443 -7.156 116 2HG MET 15 3HG MET 15 -15.387 0.381 -5.637 117 1HE MET 15 1HE MET 15 -14.135 -3.756 -6.167 118 2HE MET 15 2HE MET 15 -14.977 -2.937 -7.510 119 3HE MET 15 3HE MET 15 -13.567 -2.177 -6.735 120 H THR 16 H THR 16 -18.317 -0.065 -10.495 121 HA THR 16 HA THR 16 -20.645 1.472 -10.157 122 HB THR 16 HB THR 16 -20.347 -0.799 -12.152 123 HG1 THR 16 1HG THR 16 -19.189 0.710 -13.373 124 1HG2 THR 16 1HG2 THR 16 -22.544 0.299 -12.210 125 2HG2 THR 16 2HG2 THR 16 -21.764 1.894 -12.294 126 3HG2 THR 16 3HG2 THR 16 -21.598 0.745 -13.638 127 H CYS 17 H CYS 17 -20.042 -1.894 -9.320 128 HA CYS 17 HA CYS 17 -22.380 -2.098 -7.769 129 1HB CYS 17 2HB CYS 17 -23.058 -2.481 -10.461 130 2HB CYS 17 3HB CYS 17 -22.729 -4.130 -9.935 131 HG CYS 17 HG CYS 17 -24.348 -4.104 -7.891 132 H ALA 18 H ALA 18 -22.643 -4.447 -6.981 133 HA ALA 18 HA ALA 18 -20.355 -5.663 -6.081 134 1HB ALA 18 1HB ALA 18 -22.617 -6.204 -5.297 135 2HB ALA 18 2HB ALA 18 -22.972 -7.020 -6.838 136 3HB ALA 18 3HB ALA 18 -21.730 -7.671 -5.748 137 H ALA 19 H ALA 19 -21.855 -6.120 -9.286 138 HA ALA 19 HA ALA 19 -20.372 -8.361 -10.150 139 1HB ALA 19 1HB ALA 19 -21.400 -5.997 -11.772 140 2HB ALA 19 2HB ALA 19 -20.904 -7.575 -12.419 141 3HB ALA 19 3HB ALA 19 -22.317 -7.462 -11.352 142 H CYS 20 H CYS 20 -19.445 -4.890 -10.065 143 HA CYS 20 HA CYS 20 -17.137 -5.131 -11.813 144 1HB CYS 20 2HB CYS 20 -18.070 -3.057 -9.767 145 2HB CYS 20 3HB CYS 20 -16.501 -2.948 -10.539 146 HG CYS 20 HG CYS 20 -17.281 -2.882 -12.957 147 H ALA 21 H ALA 21 -17.546 -4.625 -8.361 148 HA ALA 21 HA ALA 21 -15.152 -5.404 -7.228 149 1HB ALA 21 1HB ALA 21 -18.048 -5.623 -6.488 150 2HB ALA 21 2HB ALA 21 -16.955 -6.653 -5.574 151 3HB ALA 21 3HB ALA 21 -16.711 -4.884 -5.608 152 H ALA 22 H ALA 22 -17.726 -7.818 -7.912 153 HA ALA 22 HA ALA 22 -16.147 -10.054 -7.298 154 1HB ALA 22 1HB ALA 22 -18.448 -9.860 -9.286 155 2HB ALA 22 2HB ALA 22 -17.823 -11.352 -8.548 156 3HB ALA 22 3HB ALA 22 -18.596 -10.117 -7.532 157 H ARG 23 H ARG 23 -16.412 -8.260 -10.398 158 HA ARG 23 HA ARG 23 -14.925 -10.156 -11.935 159 1HB ARG 23 2HB ARG 23 -15.894 -7.336 -12.259 160 2HB ARG 23 3HB ARG 23 -14.413 -7.700 -13.122 161 1HG ARG 23 2HG ARG 23 -17.002 -9.299 -13.328 162 2HG ARG 23 3HG ARG 23 -16.418 -8.069 -14.463 163 1HD ARG 23 2HD ARG 23 -14.199 -9.698 -14.225 164 2HD ARG 23 3HD ARG 23 -15.491 -10.890 -14.065 165 HE ARG 23 HE ARG 23 -16.227 -9.284 -16.238 166 1HH1 ARG 23 2HH2 ARG 23 -13.506 -11.369 -15.464 167 2HH1 ARG 23 1HH2 ARG 23 -13.086 -11.722 -17.114 168 1HH2 ARG 23 2HH1 ARG 23 -15.678 -9.668 -18.446 169 2HH2 ARG 23 1HH1 ARG 23 -14.371 -10.725 -18.855 170 H ILE 24 H ILE 24 -13.968 -7.291 -9.952 171 HA ILE 24 HA ILE 24 -11.203 -7.468 -10.645 172 HB ILE 24 HB ILE 24 -12.545 -6.369 -8.154 173 1HG1 ILE 24 2HG1 ILE 24 -11.499 -4.938 -10.671 174 2HG1 ILE 24 3HG1 ILE 24 -13.201 -5.298 -10.406 175 1HG2 ILE 24 1HG2 ILE 24 -9.765 -5.896 -9.185 176 2HG2 ILE 24 2HG2 ILE 24 -10.539 -5.100 -7.791 177 3HG2 ILE 24 3HG2 ILE 24 -10.237 -6.831 -7.732 178 1HD1 ILE 24 1HD1 ILE 24 -13.138 -3.149 -9.620 179 2HD1 ILE 24 2HD1 ILE 24 -12.850 -4.054 -8.129 180 3HD1 ILE 24 3HD1 ILE 24 -11.483 -3.298 -8.981 181 H GLU 25 H GLU 25 -12.980 -8.675 -7.681 182 HA GLU 25 HA GLU 25 -10.724 -9.947 -6.675 183 1HB GLU 25 2HB GLU 25 -13.591 -10.874 -6.264 184 2HB GLU 25 3HB GLU 25 -12.194 -11.149 -5.212 185 1HG GLU 25 2HG GLU 25 -13.638 -8.533 -5.733 186 2HG GLU 25 3HG GLU 25 -13.414 -9.396 -4.225 187 H LYS 26 H LYS 26 -13.108 -11.292 -9.043 188 HA LYS 26 HA LYS 26 -11.938 -13.882 -9.011 189 1HB LYS 26 2HB LYS 26 -14.196 -13.492 -9.731 190 2HB LYS 26 3HB LYS 26 -13.646 -12.522 -11.117 191 1HG LYS 26 2HG LYS 26 -12.692 -14.341 -12.182 192 2HG LYS 26 3HG LYS 26 -12.487 -15.265 -10.691 193 1HD LYS 26 2HD LYS 26 -14.142 -16.410 -11.921 194 2HD LYS 26 3HD LYS 26 -14.914 -15.654 -10.521 195 1HE LYS 26 2HE LYS 26 -15.774 -13.825 -11.977 196 2HE LYS 26 3HE LYS 26 -14.951 -14.543 -13.375 197 1HZ LYS 26 1HZ LYS 26 -17.263 -15.148 -13.322 198 2HZ LYS 26 2HZ LYS 26 -16.346 -16.493 -13.110 199 3HZ LYS 26 3HZ LYS 26 -17.118 -15.813 -11.828 200 H GLY 27 H GLY 27 -11.371 -10.975 -11.050 201 1HA GLY 27 2HA GLY 27 -9.455 -12.106 -12.834 202 2HA GLY 27 3HA GLY 27 -9.617 -10.402 -12.382 203 H LEU 28 H LEU 28 -9.182 -10.689 -9.572 204 HA LEU 28 HA LEU 28 -6.304 -10.899 -9.454 205 1HB LEU 28 2HB LEU 28 -8.526 -10.238 -7.511 206 2HB LEU 28 3HB LEU 28 -6.948 -10.657 -6.875 207 HG LEU 28 HG LEU 28 -7.259 -8.192 -7.111 208 1HD1 LEU 28 1HD1 LEU 28 -5.027 -9.206 -8.900 209 2HD1 LEU 28 2HD1 LEU 28 -5.127 -7.719 -7.941 210 3HD1 LEU 28 3HD1 LEU 28 -5.028 -9.293 -7.135 211 1HD2 LEU 28 1HD2 LEU 28 -7.555 -8.668 -10.065 212 2HD2 LEU 28 2HD2 LEU 28 -8.631 -7.891 -8.922 213 3HD2 LEU 28 3HD2 LEU 28 -7.103 -7.124 -9.312 214 H LYS 29 H LYS 29 -8.984 -12.978 -8.274 215 HA LYS 29 HA LYS 29 -7.443 -14.942 -7.026 216 1HB LYS 29 2HB LYS 29 -10.133 -14.680 -7.466 217 2HB LYS 29 3HB LYS 29 -9.752 -15.896 -8.679 218 1HG LYS 29 2HG LYS 29 -10.263 -17.175 -6.767 219 2HG LYS 29 3HG LYS 29 -8.499 -17.126 -6.746 220 1HD LYS 29 2HD LYS 29 -8.639 -16.297 -4.627 221 2HD LYS 29 3HD LYS 29 -9.186 -14.794 -5.363 222 1HE LYS 29 2HE LYS 29 -10.900 -15.085 -3.890 223 2HE LYS 29 3HE LYS 29 -11.590 -15.935 -5.266 224 1HZ LYS 29 1HZ LYS 29 -10.106 -17.157 -2.993 225 2HZ LYS 29 2HZ LYS 29 -11.747 -17.174 -3.195 226 3HZ LYS 29 3HZ LYS 29 -10.783 -17.993 -4.246 227 H ARG 30 H ARG 30 -7.875 -14.349 -10.435 228 HA ARG 30 HA ARG 30 -6.900 -16.686 -11.588 229 1HB ARG 30 2HB ARG 30 -7.650 -14.241 -12.511 230 2HB ARG 30 3HB ARG 30 -5.907 -14.043 -12.626 231 1HG ARG 30 2HG ARG 30 -6.682 -14.776 -14.732 232 2HG ARG 30 3HG ARG 30 -5.892 -16.202 -14.030 233 1HD ARG 30 2HD ARG 30 -8.022 -17.213 -13.506 234 2HD ARG 30 3HD ARG 30 -8.884 -15.673 -13.748 235 HE ARG 30 HE ARG 30 -7.583 -16.428 -16.171 236 1HH1 ARG 30 2HH2 ARG 30 -10.245 -17.439 -14.116 237 2HH1 ARG 30 1HH2 ARG 30 -11.278 -17.978 -15.406 238 1HH2 ARG 30 2HH1 ARG 30 -8.934 -17.098 -17.946 239 2HH2 ARG 30 1HH1 ARG 30 -10.499 -17.775 -17.645 240 H MET 31 H MET 31 -5.078 -14.347 -9.655 241 HA MET 31 HA MET 31 -2.488 -15.150 -10.694 242 1HB MET 31 2HB MET 31 -3.215 -13.456 -8.310 243 2HB MET 31 3HB MET 31 -1.602 -13.595 -9.007 244 1HG MET 31 2HG MET 31 -3.859 -12.606 -10.769 245 2HG MET 31 3HG MET 31 -3.214 -11.563 -9.517 246 1HE MET 31 1HE MET 31 -0.831 -14.010 -11.673 247 2HE MET 31 2HE MET 31 -2.227 -13.626 -12.722 248 3HE MET 31 3HE MET 31 -0.613 -12.957 -13.074 249 HA PRO 32 HA PRO 32 -2.118 -18.569 -7.801 250 1HB PRO 32 2HB PRO 32 0.372 -19.414 -8.434 251 2HB PRO 32 3HB PRO 32 -1.008 -19.667 -9.544 252 1HG PRO 32 2HG PRO 32 1.075 -17.472 -9.649 253 2HG PRO 32 3HG PRO 32 0.507 -18.503 -10.989 254 1HD PRO 32 2HD PRO 32 -0.454 -15.988 -10.489 255 2HD PRO 32 3HD PRO 32 -1.498 -17.267 -11.194 256 H GLY 33 H GLY 33 -2.282 -16.780 -6.323 257 1HA GLY 33 2HA GLY 33 -0.224 -16.805 -4.339 258 2HA GLY 33 3HA GLY 33 -0.150 -15.272 -5.232 259 H VAL 34 H VAL 34 -2.908 -14.992 -5.882 260 HA VAL 34 HA VAL 34 -4.059 -13.981 -3.480 261 HB VAL 34 HB VAL 34 -5.217 -14.533 -6.209 262 1HG1 VAL 34 1HG1 VAL 34 -7.034 -14.587 -4.522 263 2HG1 VAL 34 2HG1 VAL 34 -6.441 -13.075 -3.816 264 3HG1 VAL 34 3HG1 VAL 34 -7.096 -13.101 -5.475 265 1HG2 VAL 34 1HG2 VAL 34 -3.482 -12.729 -6.063 266 2HG2 VAL 34 2HG2 VAL 34 -5.084 -12.046 -6.369 267 3HG2 VAL 34 3HG2 VAL 34 -4.393 -11.968 -4.746 268 H THR 35 H THR 35 -4.943 -14.922 -1.835 269 HA THR 35 HA THR 35 -5.853 -17.713 -2.092 270 HB THR 35 HB THR 35 -5.241 -16.022 0.359 271 HG1 THR 35 1HG THR 35 -3.821 -17.883 -1.226 272 1HG2 THR 35 1HG2 THR 35 -5.747 -19.021 0.082 273 2HG2 THR 35 2HG2 THR 35 -5.202 -18.170 1.541 274 3HG2 THR 35 3HG2 THR 35 -6.821 -17.857 0.896 275 H ASP 36 H ASP 36 -6.840 -14.651 -0.452 276 HA ASP 36 HA ASP 36 -9.687 -15.336 -0.965 277 1HB ASP 36 2HB ASP 36 -8.773 -16.040 1.356 278 2HB ASP 36 3HB ASP 36 -8.747 -14.311 1.727 279 H ALA 37 H ALA 37 -10.141 -13.797 -2.383 280 HA ALA 37 HA ALA 37 -9.137 -11.002 -2.080 281 1HB ALA 37 1HB ALA 37 -8.509 -12.026 -4.152 282 2HB ALA 37 2HB ALA 37 -10.167 -12.588 -4.468 283 3HB ALA 37 3HB ALA 37 -9.773 -10.861 -4.502 284 H ASN 38 H ASN 38 -10.628 -9.620 -1.160 285 HA ASN 38 HA ASN 38 -13.515 -10.118 -1.653 286 1HB ASN 38 2HB ASN 38 -12.200 -9.645 1.055 287 2HB ASN 38 3HB ASN 38 -13.941 -9.591 0.743 288 1HD2 ASN 38 1HD2 ASN 38 -11.069 -11.716 0.783 289 2HD2 ASN 38 2HD2 ASN 38 -11.967 -13.229 0.803 290 H VAL 39 H VAL 39 -14.794 -8.229 -1.392 291 HA VAL 39 HA VAL 39 -13.519 -5.703 -0.806 292 HB VAL 39 HB VAL 39 -12.853 -5.911 -3.130 293 1HG1 VAL 39 1HG1 VAL 39 -15.787 -6.164 -3.826 294 2HG1 VAL 39 2HG1 VAL 39 -14.411 -6.165 -4.955 295 3HG1 VAL 39 3HG1 VAL 39 -14.665 -7.523 -3.847 296 1HG2 VAL 39 1HG2 VAL 39 -15.224 -3.995 -3.036 297 2HG2 VAL 39 2HG2 VAL 39 -13.683 -3.664 -2.238 298 3HG2 VAL 39 3HG2 VAL 39 -13.725 -3.869 -3.980 299 H ASN 40 H ASN 40 -14.825 -4.557 0.258 300 HA ASN 40 HA ASN 40 -17.782 -5.187 0.263 301 1HB ASN 40 2HB ASN 40 -16.014 -3.586 2.145 302 2HB ASN 40 3HB ASN 40 -17.774 -3.430 2.110 303 1HD2 ASN 40 1HD2 ASN 40 -17.320 -4.046 4.435 304 2HD2 ASN 40 2HD2 ASN 40 -17.437 -5.766 4.773 305 H LEU 41 H LEU 41 -18.123 -4.349 -1.877 306 HA LEU 41 HA LEU 41 -17.381 -1.771 -2.695 307 1HB LEU 41 2HB LEU 41 -18.734 -1.951 -4.486 308 2HB LEU 41 3HB LEU 41 -18.428 -3.624 -4.091 309 HG LEU 41 HG LEU 41 -20.601 -3.441 -4.822 310 1HD1 LEU 41 1HD1 LEU 41 -21.989 -4.334 -3.145 311 2HD1 LEU 41 2HD1 LEU 41 -20.338 -4.878 -2.792 312 3HD1 LEU 41 3HD1 LEU 41 -21.083 -3.577 -1.838 313 1HD2 LEU 41 1HD2 LEU 41 -21.382 -1.247 -2.891 314 2HD2 LEU 41 2HD2 LEU 41 -20.895 -1.001 -4.579 315 3HD2 LEU 41 3HD2 LEU 41 -22.326 -1.966 -4.193 316 H ALA 42 H ALA 42 -19.778 -2.722 -0.421 317 HA ALA 42 HA ALA 42 -21.414 -0.447 -0.372 318 1HB ALA 42 1HB ALA 42 -21.970 -2.568 0.782 319 2HB ALA 42 2HB ALA 42 -20.620 -2.319 1.914 320 3HB ALA 42 3HB ALA 42 -22.006 -1.211 1.925 321 H THR 43 H THR 43 -18.206 -1.070 1.071 322 HA THR 43 HA THR 43 -18.086 1.793 1.945 323 HB THR 43 HB THR 43 -16.398 0.929 3.606 324 HG1 THR 43 1HG THR 43 -15.839 -1.039 3.019 325 1HG2 THR 43 1HG2 THR 43 -18.044 0.071 5.193 326 2HG2 THR 43 2HG2 THR 43 -18.747 1.413 4.268 327 3HG2 THR 43 3HG2 THR 43 -19.194 -0.265 3.886 328 H GLU 44 H GLU 44 -17.543 0.291 -0.695 329 HA GLU 44 HA GLU 44 -15.889 -0.156 -2.185 330 1HB GLU 44 2HB GLU 44 -15.553 2.757 -1.403 331 2HB GLU 44 3HB GLU 44 -14.570 2.041 -2.660 332 1HG GLU 44 2HG GLU 44 -16.704 1.214 -3.780 333 2HG GLU 44 3HG GLU 44 -17.583 2.229 -2.631 334 H THR 45 H THR 45 -15.098 -1.387 0.230 335 HA THR 45 HA THR 45 -12.274 -0.594 0.683 336 HB THR 45 HB THR 45 -14.124 -2.456 2.236 337 HG1 THR 45 1HG THR 45 -14.190 0.231 2.053 338 1HG2 THR 45 1HG2 THR 45 -11.684 -2.734 2.653 339 2HG2 THR 45 2HG2 THR 45 -11.614 -0.991 3.014 340 3HG2 THR 45 3HG2 THR 45 -12.585 -2.089 4.037 341 H VAL 46 H VAL 46 -10.910 -1.812 -0.671 342 HA VAL 46 HA VAL 46 -11.731 -4.568 -1.386 343 HB VAL 46 HB VAL 46 -11.129 -3.332 -3.309 344 1HG1 VAL 46 1HG1 VAL 46 -9.842 -1.431 -2.410 345 2HG1 VAL 46 2HG1 VAL 46 -8.514 -2.512 -1.944 346 3HG1 VAL 46 3HG1 VAL 46 -8.896 -2.273 -3.645 347 1HG2 VAL 46 1HG2 VAL 46 -9.361 -4.625 -4.234 348 2HG2 VAL 46 2HG2 VAL 46 -8.658 -4.899 -2.632 349 3HG2 VAL 46 3HG2 VAL 46 -10.211 -5.663 -3.071 350 H ASN 47 H ASN 47 -10.899 -6.194 -0.228 351 HA ASN 47 HA ASN 47 -8.440 -5.725 1.333 352 1HB ASN 47 2HB ASN 47 -9.385 -6.917 3.204 353 2HB ASN 47 3HB ASN 47 -10.245 -5.416 2.854 354 1HD2 ASN 47 1HD2 ASN 47 -10.800 -8.483 3.896 355 2HD2 ASN 47 2HD2 ASN 47 -12.435 -8.659 3.282 356 H VAL 48 H VAL 48 -7.009 -7.000 0.310 357 HA VAL 48 HA VAL 48 -7.954 -9.642 -0.748 358 HB VAL 48 HB VAL 48 -5.607 -8.040 -1.804 359 1HG1 VAL 48 1HG1 VAL 48 -5.188 -10.003 -2.845 360 2HG1 VAL 48 2HG1 VAL 48 -6.746 -10.709 -2.392 361 3HG1 VAL 48 3HG1 VAL 48 -6.623 -9.683 -3.822 362 1HG2 VAL 48 1HG2 VAL 48 -8.485 -8.095 -2.793 363 2HG2 VAL 48 2HG2 VAL 48 -7.570 -6.704 -2.163 364 3HG2 VAL 48 3HG2 VAL 48 -7.102 -7.430 -3.698 365 H ILE 49 H ILE 49 -6.976 -11.451 -0.112 366 HA ILE 49 HA ILE 49 -4.620 -11.242 1.669 367 HB ILE 49 HB ILE 49 -6.736 -13.393 1.760 368 1HG1 ILE 49 2HG1 ILE 49 -6.394 -10.868 3.443 369 2HG1 ILE 49 3HG1 ILE 49 -7.779 -11.293 2.432 370 1HG2 ILE 49 1HG2 ILE 49 -5.681 -14.095 3.817 371 2HG2 ILE 49 2HG2 ILE 49 -4.489 -14.079 2.528 372 3HG2 ILE 49 3HG2 ILE 49 -4.508 -12.768 3.717 373 1HD1 ILE 49 1HD1 ILE 49 -6.962 -12.652 5.022 374 2HD1 ILE 49 2HD1 ILE 49 -8.386 -11.653 4.713 375 3HD1 ILE 49 3HD1 ILE 49 -8.245 -13.241 3.933 376 H TYR 50 H TYR 50 -2.816 -12.254 0.884 377 HA TYR 50 HA TYR 50 -2.968 -14.419 -1.064 378 1HB TYR 50 2HB TYR 50 -1.967 -13.060 -2.902 379 2HB TYR 50 3HB TYR 50 -3.520 -12.368 -2.392 380 HD1 TYR 50 HD1 TYR 50 -0.072 -11.602 -2.971 381 HD2 TYR 50 HD2 TYR 50 -3.706 -10.403 -0.995 382 HE1 TYR 50 HE1 TYR 50 0.728 -9.257 -2.873 383 HE2 TYR 50 HE2 TYR 50 -2.850 -8.145 -0.737 384 HH TYR 50 HH TYR 50 -0.996 -6.779 -0.959 385 H ASP 51 H ASP 51 -0.649 -14.943 -1.839 386 HA ASP 51 HA ASP 51 1.083 -14.694 0.505 387 1HB ASP 51 2HB ASP 51 0.791 -16.631 -1.612 388 2HB ASP 51 3HB ASP 51 2.476 -16.133 -1.506 389 HA PRO 52 HA PRO 52 3.465 -11.359 -1.333 390 1HB PRO 52 2HB PRO 52 5.373 -10.982 0.645 391 2HB PRO 52 3HB PRO 52 3.685 -10.596 0.912 392 1HG PRO 52 2HG PRO 52 5.129 -13.141 1.650 393 2HG PRO 52 3HG PRO 52 4.076 -12.145 2.690 394 1HD PRO 52 2HD PRO 52 3.207 -14.391 1.403 395 2HD PRO 52 3HD PRO 52 2.138 -12.983 1.650 396 H ALA 53 H ALA 53 4.029 -13.955 -2.473 397 HA ALA 53 HA ALA 53 6.855 -13.492 -3.159 398 1HB ALA 53 1HB ALA 53 7.664 -15.709 -2.442 399 2HB ALA 53 2HB ALA 53 7.028 -14.842 -1.030 400 3HB ALA 53 3HB ALA 53 6.055 -16.114 -1.812 401 H GLU 54 H GLU 54 4.228 -13.703 -4.402 402 HA GLU 54 HA GLU 54 5.061 -15.344 -6.707 403 1HB GLU 54 2HB GLU 54 2.340 -15.679 -5.356 404 2HB GLU 54 3HB GLU 54 2.875 -16.372 -6.897 405 1HG GLU 54 2HG GLU 54 4.742 -17.541 -5.633 406 2HG GLU 54 3HG GLU 54 3.931 -17.057 -4.131 407 H THR 55 H THR 55 2.750 -12.905 -5.306 408 HA THR 55 HA THR 55 1.993 -12.100 -8.074 409 HB THR 55 HB THR 55 0.558 -12.153 -5.409 410 HG1 THR 55 1HG THR 55 0.729 -14.045 -6.857 411 1HG2 THR 55 1HG2 THR 55 -0.356 -10.948 -8.053 412 2HG2 THR 55 2HG2 THR 55 -1.360 -11.264 -6.614 413 3HG2 THR 55 3HG2 THR 55 -0.032 -10.084 -6.521 414 H GLY 56 H GLY 56 1.707 -10.394 -4.928 415 1HA GLY 56 2HA GLY 56 3.475 -8.980 -4.080 416 2HA GLY 56 3HA GLY 56 3.944 -8.555 -5.728 417 H THR 57 H THR 57 2.707 -7.152 -3.282 418 HA THR 57 HA THR 57 0.132 -6.220 -3.628 419 HB THR 57 HB THR 57 1.334 -5.715 -1.633 420 HG1 THR 57 1HG THR 57 -0.366 -4.259 -2.521 421 1HG2 THR 57 1HG2 THR 57 3.582 -5.337 -2.426 422 2HG2 THR 57 2HG2 THR 57 3.003 -3.938 -3.364 423 3HG2 THR 57 3HG2 THR 57 2.963 -3.898 -1.591 424 H ALA 58 H ALA 58 2.982 -4.993 -5.328 425 HA ALA 58 HA ALA 58 1.658 -2.789 -6.661 426 1HB ALA 58 1HB ALA 58 4.143 -4.387 -7.449 427 2HB ALA 58 2HB ALA 58 3.654 -2.809 -8.101 428 3HB ALA 58 3HB ALA 58 4.119 -2.955 -6.395 429 H ALA 59 H ALA 59 2.024 -6.291 -7.416 430 HA ALA 59 HA ALA 59 0.931 -6.001 -10.088 431 1HB ALA 59 1HB ALA 59 1.127 -8.479 -8.372 432 2HB ALA 59 2HB ALA 59 0.815 -8.374 -10.116 433 3HB ALA 59 3HB ALA 59 2.397 -7.873 -9.472 434 H ILE 60 H ILE 60 -0.300 -6.668 -6.789 435 HA ILE 60 HA ILE 60 -2.963 -7.361 -7.501 436 HB ILE 60 HB ILE 60 -2.313 -5.616 -5.091 437 1HG1 ILE 60 2HG1 ILE 60 -0.771 -7.595 -5.096 438 2HG1 ILE 60 3HG1 ILE 60 -1.866 -7.426 -3.736 439 1HG2 ILE 60 1HG2 ILE 60 -4.698 -5.943 -5.437 440 2HG2 ILE 60 2HG2 ILE 60 -4.474 -7.700 -5.541 441 3HG2 ILE 60 3HG2 ILE 60 -4.163 -6.875 -4.020 442 1HD1 ILE 60 1HD1 ILE 60 -1.490 -9.729 -4.700 443 2HD1 ILE 60 2HD1 ILE 60 -3.173 -9.259 -4.423 444 3HD1 ILE 60 3HD1 ILE 60 -2.489 -9.227 -6.079 445 H GLN 61 H GLN 61 -1.534 -4.165 -6.676 446 HA GLN 61 HA GLN 61 -3.900 -2.765 -7.414 447 1HB GLN 61 2HB GLN 61 -2.921 -0.837 -6.783 448 2HB GLN 61 3HB GLN 61 -2.056 -2.035 -5.834 449 1HG GLN 61 2HG GLN 61 -0.347 -0.616 -6.499 450 2HG GLN 61 3HG GLN 61 -0.244 -1.874 -7.729 451 1HE2 GLN 61 1HE2 GLN 61 -1.577 1.420 -7.099 452 2HE2 GLN 61 2HE2 GLN 61 -1.830 1.705 -8.828 453 H GLU 62 H GLU 62 -1.001 -3.658 -9.341 454 HA GLU 62 HA GLU 62 -1.643 -2.217 -11.678 455 1HB GLU 62 2HB GLU 62 0.472 -3.530 -11.290 456 2HB GLU 62 3HB GLU 62 -0.480 -5.014 -11.466 457 1HG GLU 62 2HG GLU 62 -1.116 -4.132 -13.807 458 2HG GLU 62 3HG GLU 62 0.197 -2.969 -13.583 459 H LYS 63 H LYS 63 -2.936 -5.389 -10.409 460 HA LYS 63 HA LYS 63 -4.233 -6.028 -12.865 461 1HB LYS 63 2HB LYS 63 -3.431 -7.535 -10.897 462 2HB LYS 63 3HB LYS 63 -4.903 -7.003 -10.094 463 1HG LYS 63 2HG LYS 63 -5.705 -8.876 -11.032 464 2HG LYS 63 3HG LYS 63 -5.981 -7.845 -12.438 465 1HD LYS 63 2HD LYS 63 -3.561 -9.643 -11.889 466 2HD LYS 63 3HD LYS 63 -4.979 -10.123 -12.830 467 1HE LYS 63 2HE LYS 63 -4.492 -8.203 -14.423 468 2HE LYS 63 3HE LYS 63 -2.976 -7.923 -13.538 469 1HZ LYS 63 1HZ LYS 63 -2.321 -10.167 -14.080 470 2HZ LYS 63 2HZ LYS 63 -3.723 -10.422 -14.908 471 3HZ LYS 63 3HZ LYS 63 -2.637 -9.315 -15.453 472 H ILE 64 H ILE 64 -5.245 -4.471 -9.763 473 HA ILE 64 HA ILE 64 -7.969 -4.033 -10.395 474 HB ILE 64 HB ILE 64 -6.040 -2.299 -8.795 475 1HG1 ILE 64 2HG1 ILE 64 -8.108 -4.364 -7.881 476 2HG1 ILE 64 3HG1 ILE 64 -6.384 -4.690 -7.993 477 1HG2 ILE 64 1HG2 ILE 64 -7.978 -0.974 -9.462 478 2HG2 ILE 64 2HG2 ILE 64 -9.075 -2.265 -8.911 479 3HG2 ILE 64 3HG2 ILE 64 -8.085 -1.353 -7.754 480 1HD1 ILE 64 1HD1 ILE 64 -7.745 -2.773 -6.084 481 2HD1 ILE 64 2HD1 ILE 64 -6.788 -4.214 -5.725 482 3HD1 ILE 64 3HD1 ILE 64 -5.989 -2.770 -6.375 483 H GLU 65 H GLU 65 -5.091 -1.941 -11.100 484 HA GLU 65 HA GLU 65 -6.593 0.017 -12.493 485 1HB GLU 65 2HB GLU 65 -3.646 -0.707 -12.699 486 2HB GLU 65 3HB GLU 65 -4.409 0.677 -13.491 487 1HG GLU 65 2HG GLU 65 -5.254 1.440 -11.219 488 2HG GLU 65 3HG GLU 65 -4.313 0.148 -10.480 489 H LYS 66 H LYS 66 -4.824 -2.798 -13.830 490 HA LYS 66 HA LYS 66 -5.540 -2.421 -16.548 491 1HB LYS 66 2HB LYS 66 -4.763 -4.849 -14.939 492 2HB LYS 66 3HB LYS 66 -5.234 -4.967 -16.645 493 1HG LYS 66 2HG LYS 66 -3.562 -3.304 -17.296 494 2HG LYS 66 3HG LYS 66 -3.049 -3.106 -15.605 495 1HD LYS 66 2HD LYS 66 -2.232 -5.333 -15.492 496 2HD LYS 66 3HD LYS 66 -3.027 -5.788 -17.023 497 1HE LYS 66 2HE LYS 66 -1.537 -4.361 -18.321 498 2HE LYS 66 3HE LYS 66 -0.846 -3.657 -16.842 499 1HZ LYS 66 1HZ LYS 66 -0.518 -6.478 -17.630 500 2HZ LYS 66 2HZ LYS 66 0.612 -5.285 -17.789 501 3HZ LYS 66 3HZ LYS 66 0.111 -5.731 -16.304 502 H LEU 67 H LEU 67 -7.399 -3.960 -13.905 503 HA LEU 67 HA LEU 67 -9.490 -4.939 -15.599 504 1HB LEU 67 2HB LEU 67 -9.046 -4.587 -12.697 505 2HB LEU 67 3HB LEU 67 -10.712 -4.547 -13.202 506 HG LEU 67 HG LEU 67 -9.312 -6.777 -14.514 507 1HD1 LEU 67 1HD1 LEU 67 -7.994 -6.861 -12.610 508 2HD1 LEU 67 2HD1 LEU 67 -9.346 -6.578 -11.501 509 3HD1 LEU 67 3HD1 LEU 67 -9.225 -8.116 -12.400 510 1HD2 LEU 67 1HD2 LEU 67 -11.766 -6.467 -14.503 511 2HD2 LEU 67 2HD2 LEU 67 -11.304 -7.978 -13.692 512 3HD2 LEU 67 3HD2 LEU 67 -11.783 -6.565 -12.731 513 H GLY 68 H GLY 68 -8.659 -1.695 -14.807 514 1HA GLY 68 2HA GLY 68 -9.585 0.114 -15.914 515 2HA GLY 68 3HA GLY 68 -11.100 -0.751 -16.187 516 H TYR 69 H TYR 69 -9.261 -0.308 -13.157 517 HA TYR 69 HA TYR 69 -11.372 1.503 -12.058 518 1HB TYR 69 2HB TYR 69 -10.087 -0.850 -10.632 519 2HB TYR 69 3HB TYR 69 -11.224 0.291 -9.917 520 HD1 TYR 69 HD1 TYR 69 -13.636 0.208 -10.495 521 HD2 TYR 69 HD2 TYR 69 -10.820 -2.495 -12.288 522 HE1 TYR 69 HE1 TYR 69 -15.504 -1.080 -11.498 523 HE2 TYR 69 HE2 TYR 69 -12.716 -3.760 -13.324 524 HH TYR 69 HH TYR 69 -14.924 -3.880 -13.629 525 H HIS 70 H HIS 70 -10.367 2.354 -9.800 526 HA HIS 70 HA HIS 70 -7.465 2.788 -9.964 527 1HB HIS 70 2HB HIS 70 -9.540 4.963 -10.299 528 2HB HIS 70 3HB HIS 70 -8.168 5.285 -9.250 529 HD1 HIS 70 1HD HIS 70 -7.786 3.365 -12.584 530 HD2 HIS 70 2HD HIS 70 -6.837 6.998 -10.682 531 HE1 HIS 70 1HE HIS 70 -6.229 4.634 -14.159 532 H VAL 71 H VAL 71 -6.642 3.487 -7.905 533 HA VAL 71 HA VAL 71 -8.315 2.553 -5.631 534 HB VAL 71 HB VAL 71 -6.142 2.033 -4.613 535 1HG1 VAL 71 1HG1 VAL 71 -6.571 0.667 -7.286 536 2HG1 VAL 71 2HG1 VAL 71 -5.695 0.017 -5.887 537 3HG1 VAL 71 3HG1 VAL 71 -7.439 0.310 -5.774 538 1HG2 VAL 71 1HG2 VAL 71 -4.884 2.528 -7.350 539 2HG2 VAL 71 2HG2 VAL 71 -4.702 3.624 -5.966 540 3HG2 VAL 71 3HG2 VAL 71 -4.085 1.969 -5.876 541 H VAL 72 H VAL 72 -8.338 3.721 -3.702 542 HA VAL 72 HA VAL 72 -8.184 6.628 -4.181 543 HB VAL 72 HB VAL 72 -9.179 5.029 -1.801 544 1HG1 VAL 72 1HG1 VAL 72 -8.822 7.433 -1.179 545 2HG1 VAL 72 2HG1 VAL 72 -9.685 7.934 -2.642 546 3HG1 VAL 72 3HG1 VAL 72 -10.540 7.103 -1.331 547 1HG2 VAL 72 1HG2 VAL 72 -10.497 4.455 -3.812 548 2HG2 VAL 72 2HG2 VAL 72 -11.446 5.420 -2.683 549 3HG2 VAL 72 3HG2 VAL 72 -10.752 6.188 -4.124 550 H THR 73 H THR 73 -5.703 5.914 -4.382 551 HA THR 73 HA THR 73 -4.384 6.131 -1.711 552 HB THR 73 HB THR 73 -3.070 4.504 -3.841 553 HG1 THR 73 1HG THR 73 -4.441 2.713 -3.395 554 1HG2 THR 73 1HG2 THR 73 -3.876 3.816 -0.993 555 2HG2 THR 73 2HG2 THR 73 -2.557 3.088 -1.907 556 3HG2 THR 73 3HG2 THR 73 -2.442 4.784 -1.400 557 H GLU 74 H GLU 74 -2.542 7.471 -1.634 558 HA GLU 74 HA GLU 74 -1.687 8.601 -4.217 559 1HB GLU 74 2HB GLU 74 -3.123 10.078 -2.057 560 2HB GLU 74 3HB GLU 74 -1.608 10.835 -2.550 561 1HG GLU 74 2HG GLU 74 -3.870 10.066 -4.430 562 2HG GLU 74 3HG GLU 74 -3.441 11.707 -3.905 563 H LYS 75 H LYS 75 0.162 9.772 -4.220 564 HA LYS 75 HA LYS 75 2.320 8.229 -2.836 565 1HB LYS 75 2HB LYS 75 3.639 8.631 -4.751 566 2HB LYS 75 3HB LYS 75 2.069 8.073 -5.294 567 1HG LYS 75 2HG LYS 75 1.673 10.770 -5.404 568 2HG LYS 75 3HG LYS 75 3.406 10.676 -5.660 569 1HD LYS 75 2HD LYS 75 2.567 10.531 -7.866 570 2HD LYS 75 3HD LYS 75 2.954 8.865 -7.433 571 1HE LYS 75 2HE LYS 75 0.795 8.888 -8.563 572 2HE LYS 75 3HE LYS 75 0.523 8.476 -6.870 573 1HZ LYS 75 1HZ LYS 75 -1.094 10.140 -7.435 574 2HZ LYS 75 2HZ LYS 75 -0.055 10.798 -6.480 575 3HZ LYS 75 3HZ LYS 75 0.053 11.137 -8.090 576 H ALA 76 H ALA 76 2.146 9.375 -0.903 577 HA ALA 76 HA ALA 76 2.457 12.328 -1.014 578 1HB ALA 76 1HB ALA 76 0.985 11.397 0.657 579 2HB ALA 76 2HB ALA 76 2.297 10.401 1.324 580 3HB ALA 76 3HB ALA 76 2.376 12.167 1.442 581 H GLU 77 H GLU 77 4.459 13.317 -1.139 582 HA GLU 77 HA GLU 77 6.849 11.663 -0.777 583 1HB GLU 77 2HB GLU 77 6.479 14.617 -1.504 584 2HB GLU 77 3HB GLU 77 8.041 13.832 -1.269 585 1HG GLU 77 2HG GLU 77 7.473 12.193 -3.084 586 2HG GLU 77 3HG GLU 77 6.000 13.127 -3.406 587 H PHE 78 H PHE 78 7.518 11.244 1.207 588 HA PHE 78 HA PHE 78 7.401 13.368 3.306 589 1HB PHE 78 2HB PHE 78 7.269 10.367 3.391 590 2HB PHE 78 3HB PHE 78 7.940 11.288 4.738 591 HD1 PHE 78 1HD PHE 78 4.935 12.286 2.622 592 HD2 PHE 78 2HD PHE 78 6.362 10.793 6.409 593 HE1 PHE 78 1HE PHE 78 2.783 12.835 3.656 594 HE2 PHE 78 2HE PHE 78 4.134 11.151 7.382 595 HZ PHE 78 HZ PHE 78 2.355 12.271 6.020 596 H ASP 79 H ASP 79 9.214 13.799 4.433 597 HA ASP 79 HA ASP 79 11.850 13.119 3.211 598 1HB ASP 79 2HB ASP 79 11.486 15.500 3.230 599 2HB ASP 79 3HB ASP 79 10.793 15.473 4.854 600 H ILE 80 H ILE 80 13.550 12.431 4.769 601 HA ILE 80 HA ILE 80 12.428 11.451 7.351 602 HB ILE 80 HB ILE 80 14.497 9.986 5.770 603 1HG1 ILE 80 2HG1 ILE 80 11.573 9.256 5.455 604 2HG1 ILE 80 3HG1 ILE 80 12.390 10.280 4.259 605 1HG2 ILE 80 1HG2 ILE 80 14.156 9.385 8.102 606 2HG2 ILE 80 2HG2 ILE 80 12.397 9.310 7.889 607 3HG2 ILE 80 3HG2 ILE 80 13.417 8.099 7.131 608 1HD1 ILE 80 1HD1 ILE 80 13.396 7.576 5.051 609 2HD1 ILE 80 2HD1 ILE 80 12.505 8.000 3.578 610 3HD1 ILE 80 3HD1 ILE 80 14.110 8.702 3.876 611 H GLU 81 H GLU 81 13.694 11.914 9.131 612 HA GLU 81 HA GLU 81 16.619 12.330 8.602 613 1HB GLU 81 2HB GLU 81 15.251 13.573 10.986 614 2HB GLU 81 3HB GLU 81 16.927 13.678 10.468 615 1HG GLU 81 2HG GLU 81 16.040 14.774 8.308 616 2HG GLU 81 3HG GLU 81 14.491 14.922 9.154 617 H GLY 82 H GLY 82 17.692 10.596 9.216 618 1HA GLY 82 2HA GLY 82 17.371 9.078 11.576 619 2HA GLY 82 3HA GLY 82 16.304 8.384 10.326 620 H MET 83 H MET 83 17.791 8.823 8.040 621 HA MET 83 HA MET 83 19.559 6.624 7.973 622 1HB MET 83 2HB MET 83 19.157 8.876 5.972 623 2HB MET 83 3HB MET 83 20.005 7.341 5.694 624 1HG MET 83 2HG MET 83 17.916 7.298 4.672 625 2HG MET 83 3HG MET 83 17.975 6.074 5.937 626 1HE MET 83 1HE MET 83 16.659 6.605 8.411 627 2HE MET 83 2HE MET 83 14.949 6.860 8.101 628 3HE MET 83 3HE MET 83 15.817 5.595 7.230 629 H THR 84 H THR 84 20.735 7.351 9.861 630 HA THR 84 HA THR 84 22.914 9.135 9.811 631 HB THR 84 HB THR 84 21.953 7.932 11.745 632 HG1 THR 84 1HG THR 84 23.932 7.493 12.746 633 1HG2 THR 84 1HG2 THR 84 21.736 5.669 10.575 634 2HG2 THR 84 2HG2 THR 84 23.477 5.478 10.795 635 3HG2 THR 84 3HG2 THR 84 22.400 5.628 12.204 636 H CYS 85 H CYS 85 22.322 6.487 7.738 637 HA CYS 85 HA CYS 85 23.408 6.031 5.846 638 1HB CYS 85 2HB CYS 85 24.785 8.108 6.048 639 2HB CYS 85 3HB CYS 85 26.052 7.140 6.849 640 HG CYS 85 HG CYS 85 26.580 7.522 4.315 641 H ALA 86 H ALA 86 22.707 4.141 7.049 642 HA ALA 86 HA ALA 86 24.881 2.154 7.074 643 1HB ALA 86 1HB ALA 86 24.692 2.658 9.438 644 2HB ALA 86 2HB ALA 86 22.926 2.536 9.398 645 3HB ALA 86 3HB ALA 86 23.927 1.086 9.133 646 H ALA 87 H ALA 87 21.480 1.847 8.134 647 HA ALA 87 HA ALA 87 20.570 1.073 5.456 648 1HB ALA 87 1HB ALA 87 21.742 -0.980 6.236 649 2HB ALA 87 2HB ALA 87 20.735 -0.990 7.700 650 3HB ALA 87 3HB ALA 87 20.002 -1.243 6.104 651 H CYS 88 H CYS 88 19.829 3.102 7.631 652 HA CYS 88 HA CYS 88 17.515 2.082 9.007 653 1HB CYS 88 2HB CYS 88 18.210 4.952 8.259 654 2HB CYS 88 3HB CYS 88 17.078 4.433 9.522 655 HG CYS 88 HG CYS 88 19.171 5.361 10.677 656 H ALA 89 H ALA 89 18.022 3.948 6.000 657 HA ALA 89 HA ALA 89 15.282 4.260 5.247 658 1HB ALA 89 1HB ALA 89 16.663 5.535 3.917 659 2HB ALA 89 2HB ALA 89 17.922 4.288 3.808 660 3HB ALA 89 3HB ALA 89 16.445 4.153 2.843 661 H ASN 90 H ASN 90 17.593 1.584 4.733 662 HA ASN 90 HA ASN 90 15.839 0.046 3.091 663 1HB ASN 90 2HB ASN 90 17.990 -1.038 4.950 664 2HB ASN 90 3HB ASN 90 17.239 -1.877 3.596 665 1HD2 ASN 90 1HD2 ASN 90 18.616 -1.963 1.836 666 2HD2 ASN 90 2HD2 ASN 90 19.722 -0.677 1.395 667 H ARG 91 H ARG 91 16.469 -0.039 6.615 668 HA ARG 91 HA ARG 91 14.616 -2.080 7.315 669 1HB ARG 91 2HB ARG 91 15.662 0.343 8.848 670 2HB ARG 91 3HB ARG 91 14.583 -0.831 9.557 671 1HG ARG 91 2HG ARG 91 16.575 -2.476 8.480 672 2HG ARG 91 3HG ARG 91 17.467 -1.030 8.950 673 1HD ARG 91 2HD ARG 91 17.517 -2.407 10.863 674 2HD ARG 91 3HD ARG 91 16.282 -1.180 11.218 675 HE ARG 91 HE ARG 91 15.193 -3.567 9.962 676 1HH1 ARG 91 2HH2 ARG 91 16.206 -2.262 13.077 677 2HH1 ARG 91 1HH2 ARG 91 15.413 -3.472 14.033 678 1HH2 ARG 91 2HH1 ARG 91 14.216 -5.265 11.194 679 2HH2 ARG 91 1HH1 ARG 91 14.267 -5.230 12.924 680 H ILE 92 H ILE 92 14.150 1.482 7.193 681 HA ILE 92 HA ILE 92 11.377 1.245 7.924 682 HB ILE 92 HB ILE 92 11.203 3.644 7.369 683 1HG1 ILE 92 2HG1 ILE 92 13.819 4.496 7.176 684 2HG1 ILE 92 3HG1 ILE 92 13.642 3.186 6.001 685 1HG2 ILE 92 1HG2 ILE 92 12.586 4.391 9.202 686 2HG2 ILE 92 2HG2 ILE 92 11.855 2.833 9.608 687 3HG2 ILE 92 3HG2 ILE 92 13.564 2.908 9.127 688 1HD1 ILE 92 1HD1 ILE 92 13.143 5.332 4.969 689 2HD1 ILE 92 2HD1 ILE 92 11.684 4.323 5.009 690 3HD1 ILE 92 3HD1 ILE 92 11.887 5.655 6.180 691 H GLU 93 H GLU 93 13.023 1.239 4.721 692 HA GLU 93 HA GLU 93 10.755 1.624 3.089 693 1HB GLU 93 2HB GLU 93 13.133 1.527 2.246 694 2HB GLU 93 3HB GLU 93 13.205 -0.180 2.685 695 1HG GLU 93 2HG GLU 93 11.228 -0.534 1.110 696 2HG GLU 93 3HG GLU 93 11.504 1.128 0.569 697 H LYS 94 H LYS 94 12.270 -1.336 4.407 698 HA LYS 94 HA LYS 94 10.326 -3.156 3.407 699 1HB LYS 94 2HB LYS 94 12.155 -3.330 5.828 700 2HB LYS 94 3HB LYS 94 11.250 -4.698 5.190 701 1HG LYS 94 2HG LYS 94 13.242 -3.083 3.520 702 2HG LYS 94 3HG LYS 94 13.723 -4.469 4.485 703 1HD LYS 94 2HD LYS 94 11.652 -4.554 2.235 704 2HD LYS 94 3HD LYS 94 13.372 -4.888 2.048 705 1HE LYS 94 2HE LYS 94 13.186 -6.736 3.756 706 2HE LYS 94 3HE LYS 94 11.434 -6.478 3.809 707 1HZ LYS 94 1HZ LYS 94 12.972 -7.262 1.424 708 2HZ LYS 94 2HZ LYS 94 12.030 -8.253 2.335 709 3HZ LYS 94 3HZ LYS 94 11.344 -7.029 1.478 710 H ARG 95 H ARG 95 10.233 -1.045 6.228 711 HA ARG 95 HA ARG 95 7.828 -2.379 7.320 712 1HB ARG 95 2HB ARG 95 9.298 0.188 7.963 713 2HB ARG 95 3HB ARG 95 7.679 -0.093 8.590 714 1HG ARG 95 2HG ARG 95 9.838 -2.201 8.916 715 2HG ARG 95 3HG ARG 95 9.747 -0.800 9.993 716 1HD ARG 95 2HD ARG 95 7.425 -1.320 10.585 717 2HD ARG 95 3HD ARG 95 7.420 -2.715 9.481 718 HE ARG 95 HE ARG 95 9.569 -3.026 11.293 719 1HH1 ARG 95 2HH2 ARG 95 6.045 -2.985 11.295 720 2HH1 ARG 95 1HH2 ARG 95 5.854 -4.054 12.648 721 1HH2 ARG 95 2HH1 ARG 95 9.370 -4.453 13.120 722 2HH2 ARG 95 1HH1 ARG 95 7.805 -4.912 13.705 723 H LEU 96 H LEU 96 8.334 0.885 6.004 724 HA LEU 96 HA LEU 96 5.718 1.664 5.625 725 1HB LEU 96 2HB LEU 96 8.240 2.368 4.124 726 2HB LEU 96 3HB LEU 96 6.661 3.014 3.670 727 HG LEU 96 HG LEU 96 6.926 3.320 6.526 728 1HD1 LEU 96 1HD1 LEU 96 8.710 5.063 6.498 729 2HD1 LEU 96 2HD1 LEU 96 9.270 3.402 6.315 730 3HD1 LEU 96 3HD1 LEU 96 9.206 4.472 4.895 731 1HD2 LEU 96 1HD2 LEU 96 5.406 4.568 5.001 732 2HD2 LEU 96 2HD2 LEU 96 6.426 5.650 5.971 733 3HD2 LEU 96 3HD2 LEU 96 6.815 5.362 4.264 734 H ASN 97 H ASN 97 7.649 -0.303 3.389 735 HA ASN 97 HA ASN 97 6.262 -0.743 1.167 736 1HB ASN 97 2HB ASN 97 7.949 -2.363 2.839 737 2HB ASN 97 3HB ASN 97 6.584 -3.368 2.445 738 1HD2 ASN 97 1HD2 ASN 97 9.043 -1.223 0.977 739 2HD2 ASN 97 2HD2 ASN 97 9.137 -2.110 -0.539 740 H LYS 98 H LYS 98 5.133 -1.944 4.332 741 HA LYS 98 HA LYS 98 2.371 -2.096 3.463 742 1HB LYS 98 2HB LYS 98 2.131 -4.552 3.886 743 2HB LYS 98 3HB LYS 98 2.970 -4.122 2.402 744 1HG LYS 98 2HG LYS 98 4.752 -5.342 2.963 745 2HG LYS 98 3HG LYS 98 4.996 -4.379 4.416 746 1HD LYS 98 2HD LYS 98 4.888 -6.545 5.191 747 2HD LYS 98 3HD LYS 98 3.342 -5.819 5.642 748 1HE LYS 98 2HE LYS 98 2.224 -6.964 3.756 749 2HE LYS 98 3HE LYS 98 3.790 -7.602 3.208 750 1HZ LYS 98 1HZ LYS 98 2.569 -9.246 4.482 751 2HZ LYS 98 2HZ LYS 98 3.943 -8.837 5.268 752 3HZ LYS 98 3HZ LYS 98 2.493 -8.253 5.779 753 H ILE 99 H ILE 99 2.930 -0.475 5.334 754 HA ILE 99 HA ILE 99 2.952 -1.640 8.010 755 HB ILE 99 HB ILE 99 2.088 1.080 6.978 756 1HG1 ILE 99 2HG1 ILE 99 4.387 0.250 8.811 757 2HG1 ILE 99 3HG1 ILE 99 4.550 0.328 7.057 758 1HG2 ILE 99 1HG2 ILE 99 2.111 -0.009 9.833 759 2HG2 ILE 99 2HG2 ILE 99 1.990 1.710 9.431 760 3HG2 ILE 99 3HG2 ILE 99 0.706 0.621 8.945 761 1HD1 ILE 99 1HD1 ILE 99 3.840 2.705 8.827 762 2HD1 ILE 99 2HD1 ILE 99 5.404 2.363 8.084 763 3HD1 ILE 99 3HD1 ILE 99 3.999 2.720 7.058 764 H GLU 100 H GLU 100 0.277 -0.176 6.168 765 HA GLU 100 HA GLU 100 -1.405 -2.536 6.706 766 1HB GLU 100 2HB GLU 100 -2.102 0.295 7.598 767 2HB GLU 100 3HB GLU 100 -3.317 -0.986 7.323 768 1HG GLU 100 2HG GLU 100 -2.055 -2.397 9.006 769 2HG GLU 100 3HG GLU 100 -1.125 -0.942 9.415 770 H GLY 101 H GLY 101 -3.005 0.336 5.650 771 1HA GLY 101 2HA GLY 101 -3.409 -0.812 3.019 772 2HA GLY 101 3HA GLY 101 -4.104 0.681 3.669 773 H VAL 102 H VAL 102 -0.785 -0.490 3.045 774 HA VAL 102 HA VAL 102 -0.123 2.031 1.581 775 HB VAL 102 HB VAL 102 1.822 0.090 2.847 776 1HG1 VAL 102 1HG1 VAL 102 2.007 2.783 1.438 777 2HG1 VAL 102 2HG1 VAL 102 3.274 2.247 2.506 778 3HG1 VAL 102 3HG1 VAL 102 2.874 1.281 1.071 779 1HG2 VAL 102 1HG2 VAL 102 0.901 2.793 3.911 780 2HG2 VAL 102 2HG2 VAL 102 0.469 1.230 4.617 781 3HG2 VAL 102 3HG2 VAL 102 2.159 1.756 4.595 782 H ALA 103 H ALA 103 0.072 1.868 -0.536 783 HA ALA 103 HA ALA 103 -0.145 -0.746 -1.828 784 1HB ALA 103 1HB ALA 103 -1.440 1.101 -2.740 785 2HB ALA 103 2HB ALA 103 0.038 2.061 -2.985 786 3HB ALA 103 3HB ALA 103 -0.218 0.569 -3.911 787 H ASN 104 H ASN 104 2.208 1.971 -1.489 788 HA ASN 104 HA ASN 104 4.432 0.121 -1.907 789 1HB ASN 104 2HB ASN 104 4.140 2.447 -3.865 790 2HB ASN 104 3HB ASN 104 5.509 1.362 -3.723 791 1HD2 ASN 104 1HD2 ASN 104 2.642 1.930 -5.411 792 2HD2 ASN 104 2HD2 ASN 104 2.539 0.337 -6.171 793 H ALA 105 H ALA 105 6.522 1.300 -1.714 794 HA ALA 105 HA ALA 105 6.510 3.977 -0.605 795 1HB ALA 105 1HB ALA 105 7.324 3.446 1.606 796 2HB ALA 105 2HB ALA 105 5.693 2.784 1.377 797 3HB ALA 105 3HB ALA 105 7.107 1.707 1.304 798 HA PRO 106 HA PRO 106 10.635 2.521 -2.268 799 1HB PRO 106 2HB PRO 106 10.919 4.351 -4.299 800 2HB PRO 106 3HB PRO 106 10.134 2.757 -4.499 801 1HG PRO 106 2HG PRO 106 8.811 5.420 -3.994 802 2HG PRO 106 3HG PRO 106 8.372 4.212 -5.233 803 1HD PRO 106 2HD PRO 106 7.023 4.345 -2.883 804 2HD PRO 106 3HD PRO 106 7.422 2.768 -3.607 805 H VAL 107 H VAL 107 12.433 3.448 -1.431 806 HA VAL 107 HA VAL 107 12.249 6.146 -0.202 807 HB VAL 107 HB VAL 107 13.862 3.696 0.650 808 1HG1 VAL 107 1HG1 VAL 107 15.019 5.760 1.316 809 2HG1 VAL 107 2HG1 VAL 107 13.505 6.421 1.974 810 3HG1 VAL 107 3HG1 VAL 107 14.264 5.017 2.733 811 1HG2 VAL 107 1HG2 VAL 107 11.459 3.365 1.128 812 2HG2 VAL 107 2HG2 VAL 107 12.354 3.654 2.626 813 3HG2 VAL 107 3HG2 VAL 107 11.394 4.948 1.909 814 H ASN 108 H ASN 108 14.105 7.511 -0.427 815 HA ASN 108 HA ASN 108 15.915 6.813 -2.711 816 1HB ASN 108 2HB ASN 108 15.113 9.464 -1.490 817 2HB ASN 108 3HB ASN 108 16.266 9.250 -2.805 818 1HD2 ASN 108 1HD2 ASN 108 15.492 8.897 -4.951 819 2HD2 ASN 108 2HD2 ASN 108 13.782 8.956 -5.330 820 H PHE 109 H PHE 109 18.054 6.649 -2.268 821 HA PHE 109 HA PHE 109 19.064 7.391 0.397 822 1HB PHE 109 2HB PHE 109 19.761 5.420 -1.566 823 2HB PHE 109 3HB PHE 109 21.126 6.517 -1.464 824 HD1 PHE 109 1HD PHE 109 22.288 6.894 0.717 825 HD2 PHE 109 2HD PHE 109 18.989 4.145 0.376 826 HE1 PHE 109 1HE PHE 109 22.813 5.992 2.947 827 HE2 PHE 109 2HE PHE 109 19.519 3.222 2.577 828 HZ PHE 109 HZ PHE 109 21.494 4.077 3.871 829 H ALA 110 H ALA 110 18.626 9.023 -2.515 830 HA ALA 110 HA ALA 110 21.136 10.614 -2.348 831 1HB ALA 110 1HB ALA 110 20.468 9.671 -4.528 832 2HB ALA 110 2HB ALA 110 18.912 10.530 -4.424 833 3HB ALA 110 3HB ALA 110 20.431 11.446 -4.543 834 H LEU 111 H LEU 111 17.753 10.757 -1.595 835 HA LEU 111 HA LEU 111 17.831 13.724 -1.215 836 1HB LEU 111 2HB LEU 111 15.409 12.002 -1.744 837 2HB LEU 111 3HB LEU 111 15.515 13.767 -1.802 838 HG LEU 111 HG LEU 111 16.718 11.782 -3.783 839 1HD1 LEU 111 1HD1 LEU 111 15.018 12.665 -5.317 840 2HD1 LEU 111 2HD1 LEU 111 14.260 11.970 -3.874 841 3HD1 LEU 111 3HD1 LEU 111 14.394 13.732 -4.041 842 1HD2 LEU 111 1HD2 LEU 111 18.120 13.848 -3.654 843 2HD2 LEU 111 2HD2 LEU 111 17.209 13.799 -5.167 844 3HD2 LEU 111 3HD2 LEU 111 16.666 14.846 -3.840 845 H GLU 112 H GLU 112 17.636 10.699 0.397 846 HA GLU 112 HA GLU 112 16.715 9.889 2.265 847 1HB GLU 112 2HB GLU 112 17.255 12.717 3.265 848 2HB GLU 112 3HB GLU 112 17.006 11.271 4.246 849 1HG GLU 112 2HG GLU 112 19.282 11.205 4.169 850 2HG GLU 112 3HG GLU 112 18.995 10.293 2.690 851 H THR 113 H THR 113 14.847 10.268 0.500 852 HA THR 113 HA THR 113 12.473 11.291 2.000 853 HB THR 113 HB THR 113 11.438 11.654 -0.234 854 HG1 THR 113 1HG THR 113 12.719 10.260 -1.545 855 1HG2 THR 113 1HG2 THR 113 12.620 13.675 -0.757 856 2HG2 THR 113 2HG2 THR 113 12.774 13.440 1.013 857 3HG2 THR 113 3HG2 THR 113 14.124 13.050 -0.057 858 H VAL 114 H VAL 114 10.555 10.135 1.778 859 HA VAL 114 HA VAL 114 10.675 7.529 0.368 860 HB VAL 114 HB VAL 114 10.773 6.916 2.676 861 1HG1 VAL 114 1HG1 VAL 114 9.773 8.999 3.695 862 2HG1 VAL 114 2HG1 VAL 114 8.177 8.374 3.211 863 3HG1 VAL 114 3HG1 VAL 114 9.174 7.468 4.354 864 1HG2 VAL 114 1HG2 VAL 114 8.855 5.451 2.777 865 2HG2 VAL 114 2HG2 VAL 114 7.914 6.495 1.700 866 3HG2 VAL 114 3HG2 VAL 114 9.316 5.609 1.077 867 H THR 115 H THR 115 9.171 7.346 -1.152 868 HA THR 115 HA THR 115 6.991 9.403 -1.280 869 HB THR 115 HB THR 115 7.853 7.257 -3.248 870 HG1 THR 115 1HG THR 115 9.326 9.032 -2.904 871 1HG2 THR 115 1HG2 THR 115 5.886 9.574 -3.509 872 2HG2 THR 115 2HG2 THR 115 6.417 8.498 -4.823 873 3HG2 THR 115 3HG2 THR 115 5.483 7.838 -3.471 874 H VAL 116 H VAL 116 5.413 8.738 0.197 875 HA VAL 116 HA VAL 116 5.073 5.784 0.570 876 HB VAL 116 HB VAL 116 5.491 7.005 2.578 877 1HG1 VAL 116 1HG1 VAL 116 3.892 8.462 3.646 878 2HG1 VAL 116 2HG1 VAL 116 4.423 9.190 2.140 879 3HG1 VAL 116 3HG1 VAL 116 2.825 8.414 2.245 880 1HG2 VAL 116 1HG2 VAL 116 4.205 4.932 2.639 881 2HG2 VAL 116 2HG2 VAL 116 3.625 6.057 3.881 882 3HG2 VAL 116 3HG2 VAL 116 2.697 5.831 2.391 883 H GLU 117 H GLU 117 3.707 4.855 -0.853 884 HA GLU 117 HA GLU 117 1.410 6.418 -1.879 885 1HB GLU 117 2HB GLU 117 2.820 3.891 -2.767 886 2HB GLU 117 3HB GLU 117 1.137 4.176 -3.214 887 1HG GLU 117 2HG GLU 117 1.666 6.297 -4.192 888 2HG GLU 117 3HG GLU 117 3.407 6.079 -3.854 889 H TYR 118 H TYR 118 -0.076 6.380 -0.148 890 HA TYR 118 HA TYR 118 -1.041 3.700 0.636 891 1HB TYR 118 2HB TYR 118 -0.775 3.988 2.935 892 2HB TYR 118 3HB TYR 118 0.776 4.535 2.305 893 HD1 TYR 118 HD1 TYR 118 -1.944 5.285 4.454 894 HD2 TYR 118 HD2 TYR 118 0.798 7.231 1.767 895 HE1 TYR 118 HE1 TYR 118 -2.298 7.422 5.626 896 HE2 TYR 118 HE2 TYR 118 0.408 9.378 2.913 897 HH TYR 118 HH TYR 118 -0.593 10.422 4.695 898 H ASN 119 H ASN 119 -3.032 3.715 1.822 899 HA ASN 119 HA ASN 119 -4.825 5.540 0.433 900 1HB ASN 119 2HB ASN 119 -5.028 2.953 0.879 901 2HB ASN 119 3HB ASN 119 -5.754 3.445 2.400 902 1HD2 ASN 119 1HD2 ASN 119 -7.855 4.640 2.158 903 2HD2 ASN 119 2HD2 ASN 119 -8.542 5.066 0.608 904 HA PRO 120 HA PRO 120 -4.342 8.026 4.175 905 1HB PRO 120 2HB PRO 120 -5.221 10.436 3.335 906 2HB PRO 120 3HB PRO 120 -3.788 9.678 2.593 907 1HG PRO 120 2HG PRO 120 -6.645 9.561 1.565 908 2HG PRO 120 3HG PRO 120 -5.191 10.091 0.668 909 1HD PRO 120 2HD PRO 120 -6.147 7.528 0.545 910 2HD PRO 120 3HD PRO 120 -4.400 7.893 0.475 911 H LYS 121 H LYS 121 -6.798 6.279 3.654 912 HA LYS 121 HA LYS 121 -8.676 7.763 5.479 913 1HB LYS 121 2HB LYS 121 -9.364 5.435 3.676 914 2HB LYS 121 3HB LYS 121 -10.466 6.460 4.589 915 1HG LYS 121 2HG LYS 121 -8.729 7.323 2.210 916 2HG LYS 121 3HG LYS 121 -10.420 6.882 2.148 917 1HD LYS 121 2HD LYS 121 -10.944 8.747 3.766 918 2HD LYS 121 3HD LYS 121 -9.232 9.215 3.718 919 1HE LYS 121 2HE LYS 121 -9.447 9.491 1.202 920 2HE LYS 121 3HE LYS 121 -11.188 9.202 1.369 921 1HZ LYS 121 1HZ LYS 121 -9.664 11.394 2.619 922 2HZ LYS 121 2HZ LYS 121 -10.682 11.533 1.333 923 3HZ LYS 121 3HZ LYS 121 -11.280 11.136 2.814 924 H GLU 122 H GLU 122 -7.650 4.442 4.574 925 HA GLU 122 HA GLU 122 -8.130 3.090 6.922 926 1HB GLU 122 2HB GLU 122 -5.987 2.830 4.774 927 2HB GLU 122 3HB GLU 122 -6.122 1.670 6.103 928 1HG GLU 122 2HG GLU 122 -7.185 0.923 4.000 929 2HG GLU 122 3HG GLU 122 -8.292 0.924 5.358 930 H ALA 123 H ALA 123 -5.160 4.885 6.005 931 HA ALA 123 HA ALA 123 -4.371 5.015 8.888 932 1HB ALA 123 1HB ALA 123 -2.024 4.714 8.226 933 2HB ALA 123 2HB ALA 123 -2.990 3.310 7.758 934 3HB ALA 123 3HB ALA 123 -2.512 4.501 6.533 935 H SER 124 H SER 124 -2.350 6.768 8.822 936 HA SER 124 HA SER 124 -2.808 9.065 7.118 937 1HB SER 124 2HB SER 124 -3.908 8.995 9.957 938 2HB SER 124 3HB SER 124 -3.450 10.512 9.168 939 HG SER 124 HG SER 124 -5.145 8.746 7.794 940 H VAL 125 H VAL 125 -1.356 10.838 7.806 941 HA VAL 125 HA VAL 125 1.224 10.389 8.272 942 HB VAL 125 HB VAL 125 -0.171 12.699 9.697 943 1HG1 VAL 125 1HG1 VAL 125 2.556 12.427 8.410 944 2HG1 VAL 125 2HG1 VAL 125 1.858 13.940 9.014 945 3HG1 VAL 125 3HG1 VAL 125 2.185 12.616 10.133 946 1HG2 VAL 125 1HG2 VAL 125 0.266 12.245 6.721 947 2HG2 VAL 125 2HG2 VAL 125 -1.198 12.794 7.553 948 3HG2 VAL 125 3HG2 VAL 125 0.181 13.879 7.408 949 H SER 126 H SER 126 -1.122 10.745 11.010 950 HA SER 126 HA SER 126 0.591 10.504 13.139 951 1HB SER 126 2HB SER 126 -2.148 9.199 12.950 952 2HB SER 126 3HB SER 126 -1.376 9.924 14.372 953 HG SER 126 HG SER 126 -1.536 11.949 13.325 954 H ASP 127 H ASP 127 -0.774 7.806 11.166 955 HA ASP 127 HA ASP 127 0.203 5.671 12.880 956 1HB ASP 127 2HB ASP 127 -1.615 5.131 11.418 957 2HB ASP 127 3HB ASP 127 -0.796 5.834 10.010 958 H LEU 128 H LEU 128 1.262 7.235 9.892 959 HA LEU 128 HA LEU 128 3.582 5.671 9.387 960 1HB LEU 128 2HB LEU 128 2.946 8.550 8.697 961 2HB LEU 128 3HB LEU 128 4.317 7.660 8.047 962 HG LEU 128 HG LEU 128 1.396 6.796 7.699 963 1HD1 LEU 128 1HD1 LEU 128 1.798 8.896 6.563 964 2HD1 LEU 128 2HD1 LEU 128 3.335 8.290 5.910 965 3HD1 LEU 128 3HD1 LEU 128 1.790 7.599 5.352 966 1HD2 LEU 128 1HD2 LEU 128 3.996 5.831 6.426 967 2HD2 LEU 128 2HD2 LEU 128 2.928 4.876 7.481 968 3HD2 LEU 128 3HD2 LEU 128 2.370 5.364 5.885 969 H LYS 129 H LYS 129 3.188 8.740 11.100 970 HA LYS 129 HA LYS 129 5.813 9.122 12.087 971 1HB LYS 129 2HB LYS 129 3.046 9.799 13.128 972 2HB LYS 129 3HB LYS 129 4.449 10.257 14.046 973 1HG LYS 129 2HG LYS 129 4.569 10.961 11.127 974 2HG LYS 129 3HG LYS 129 3.237 11.684 12.015 975 1HD LYS 129 2HD LYS 129 5.053 13.205 11.957 976 2HD LYS 129 3HD LYS 129 4.736 12.731 13.621 977 1HE LYS 129 2HE LYS 129 6.970 11.562 11.873 978 2HE LYS 129 3HE LYS 129 7.195 12.939 12.933 979 1HZ LYS 129 1HZ LYS 129 6.386 10.244 13.957 980 2HZ LYS 129 2HZ LYS 129 7.854 10.777 14.078 981 3HZ LYS 129 3HZ LYS 129 6.646 11.517 14.854 982 H GLU 130 H GLU 130 3.012 7.437 13.669 983 HA GLU 130 HA GLU 130 4.404 6.614 15.933 984 1HB GLU 130 2HB GLU 130 1.873 6.423 15.141 985 2HB GLU 130 3HB GLU 130 2.314 4.773 14.730 986 1HG GLU 130 2HG GLU 130 2.827 6.026 17.486 987 2HG GLU 130 3HG GLU 130 1.258 5.368 17.026 988 H ALA 131 H ALA 131 4.148 4.952 12.780 989 HA ALA 131 HA ALA 131 5.543 2.589 13.508 990 1HB ALA 131 1HB ALA 131 5.285 3.923 10.779 991 2HB ALA 131 2HB ALA 131 5.769 2.242 11.082 992 3HB ALA 131 3HB ALA 131 4.132 2.786 11.504 993 H VAL 132 H VAL 132 6.778 5.626 11.915 994 HA VAL 132 HA VAL 132 9.445 4.484 11.782 995 HB VAL 132 HB VAL 132 8.336 7.215 11.160 996 1HG1 VAL 132 1HG1 VAL 132 11.203 6.198 11.161 997 2HG1 VAL 132 2HG1 VAL 132 10.721 7.622 10.233 998 3HG1 VAL 132 3HG1 VAL 132 10.577 7.648 11.990 999 1HG2 VAL 132 1HG2 VAL 132 7.874 5.411 9.540 1000 2HG2 VAL 132 2HG2 VAL 132 9.141 6.453 8.862 1001 3HG2 VAL 132 3HG2 VAL 132 9.576 4.902 9.564 1002 H ASP 133 H ASP 133 7.713 6.560 14.059 1003 HA ASP 133 HA ASP 133 9.885 7.393 15.634 1004 1HB ASP 133 2HB ASP 133 6.947 6.820 16.238 1005 2HB ASP 133 3HB ASP 133 8.045 7.603 17.359 1006 H LYS 134 H LYS 134 7.708 4.575 15.788 1007 HA LYS 134 HA LYS 134 8.928 3.248 17.977 1008 1HB LYS 134 2HB LYS 134 6.681 2.997 17.032 1009 2HB LYS 134 3HB LYS 134 7.344 2.154 15.627 1010 1HG LYS 134 2HG LYS 134 7.940 0.260 16.962 1011 2HG LYS 134 3HG LYS 134 7.632 1.122 18.490 1012 1HD LYS 134 2HD LYS 134 5.463 1.103 16.407 1013 2HD LYS 134 3HD LYS 134 5.716 -0.421 17.305 1014 1HE LYS 134 2HE LYS 134 5.201 0.685 19.423 1015 2HE LYS 134 3HE LYS 134 5.309 2.281 18.664 1016 1HZ LYS 134 1HZ LYS 134 3.121 0.362 18.239 1017 2HZ LYS 134 2HZ LYS 134 3.101 1.960 18.754 1018 3HZ LYS 134 3HZ LYS 134 3.453 1.675 17.263 1019 H LEU 135 H LEU 135 9.566 3.009 14.440 1020 HA LEU 135 HA LEU 135 11.729 1.083 14.669 1021 1HB LEU 135 2HB LEU 135 10.791 3.059 12.621 1022 2HB LEU 135 3HB LEU 135 12.432 2.486 12.476 1023 HG LEU 135 HG LEU 135 10.585 1.299 11.156 1024 1HD1 LEU 135 1HD1 LEU 135 12.569 -0.315 12.798 1025 2HD1 LEU 135 2HD1 LEU 135 11.771 -0.852 11.301 1026 3HD1 LEU 135 3HD1 LEU 135 12.884 0.520 11.260 1027 1HD2 LEU 135 1HD2 LEU 135 8.990 0.919 13.019 1028 2HD2 LEU 135 2HD2 LEU 135 9.457 -0.574 12.218 1029 3HD2 LEU 135 3HD2 LEU 135 10.147 -0.184 13.790 1030 H GLY 136 H GLY 136 11.574 4.574 15.191 1031 1HA GLY 136 2HA GLY 136 12.959 5.543 16.841 1032 2HA GLY 136 3HA GLY 136 14.237 4.377 16.511 1033 H TYR 137 H TYR 137 12.352 6.449 14.235 1034 HA TYR 137 HA TYR 137 14.690 8.234 13.854 1035 1HB TYR 137 2HB TYR 137 13.172 7.070 11.500 1036 2HB TYR 137 3HB TYR 137 14.570 8.105 11.469 1037 HD1 TYR 137 HD1 TYR 137 16.754 7.084 12.669 1038 HD2 TYR 137 HD2 TYR 137 13.366 4.725 11.452 1039 HE1 TYR 137 HE1 TYR 137 18.089 5.022 12.942 1040 HE2 TYR 137 HE2 TYR 137 14.719 2.669 11.669 1041 HH TYR 137 HH TYR 137 16.662 1.785 12.492 1042 H LYS 138 H LYS 138 13.573 10.011 11.971 1043 HA LYS 138 HA LYS 138 10.786 10.450 12.947 1044 1HB LYS 138 2HB LYS 138 11.079 12.638 13.477 1045 2HB LYS 138 3HB LYS 138 12.545 11.878 14.110 1046 1HG LYS 138 2HG LYS 138 13.571 12.536 11.800 1047 2HG LYS 138 3HG LYS 138 12.177 13.614 11.647 1048 1HD LYS 138 2HD LYS 138 13.133 14.129 14.225 1049 2HD LYS 138 3HD LYS 138 14.615 13.787 13.323 1050 1HE LYS 138 2HE LYS 138 13.587 15.494 11.552 1051 2HE LYS 138 3HE LYS 138 12.550 15.989 12.904 1052 1HZ LYS 138 1HZ LYS 138 14.469 17.356 12.824 1053 2HZ LYS 138 2HZ LYS 138 14.753 16.350 14.113 1054 3HZ LYS 138 3HZ LYS 138 15.463 16.110 12.629 1055 H LEU 139 H LEU 139 9.360 10.797 11.389 1056 HA LEU 139 HA LEU 139 10.263 11.227 8.601 1057 1HB LEU 139 2HB LEU 139 7.592 10.596 9.873 1058 2HB LEU 139 3HB LEU 139 7.707 11.198 8.220 1059 HG LEU 139 HG LEU 139 9.175 8.735 9.181 1060 1HD1 LEU 139 1HD1 LEU 139 6.802 8.372 9.432 1061 2HD1 LEU 139 2HD1 LEU 139 6.477 9.050 7.825 1062 3HD1 LEU 139 3HD1 LEU 139 7.325 7.504 7.971 1063 1HD2 LEU 139 1HD2 LEU 139 8.518 9.730 6.371 1064 2HD2 LEU 139 2HD2 LEU 139 10.126 9.721 7.106 1065 3HD2 LEU 139 3HD2 LEU 139 9.314 8.195 6.764 1066 H LYS 140 H LYS 140 9.593 12.984 7.417 1067 HA LYS 140 HA LYS 140 8.164 15.228 8.689 1068 1HB LYS 140 2HB LYS 140 10.783 15.285 7.140 1069 2HB LYS 140 3HB LYS 140 9.778 16.723 7.302 1070 1HG LYS 140 2HG LYS 140 10.797 15.160 9.711 1071 2HG LYS 140 3HG LYS 140 11.791 16.376 8.920 1072 1HD LYS 140 2HD LYS 140 8.957 17.064 9.773 1073 2HD LYS 140 3HD LYS 140 10.259 17.053 10.971 1074 1HE LYS 140 2HE LYS 140 11.514 18.737 9.824 1075 2HE LYS 140 3HE LYS 140 10.545 18.601 8.354 1076 1HZ LYS 140 1HZ LYS 140 8.700 19.558 9.466 1077 2HZ LYS 140 2HZ LYS 140 9.506 19.615 10.909 1078 3HZ LYS 140 3HZ LYS 140 10.003 20.540 9.646 1079 H LEU 141 H LEU 141 7.296 16.611 6.884 1080 HA LEU 141 HA LEU 141 6.530 14.959 4.514 1081 1HB LEU 141 2HB LEU 141 5.232 17.435 5.667 1082 2HB LEU 141 3HB LEU 141 4.703 16.461 4.297 1083 HG LEU 141 HG LEU 141 4.587 14.464 5.937 1084 1HD1 LEU 141 1HD1 LEU 141 5.624 15.225 7.962 1085 2HD1 LEU 141 2HD1 LEU 141 4.718 16.750 7.944 1086 3HD1 LEU 141 3HD1 LEU 141 3.906 15.220 8.293 1087 1HD2 LEU 141 1HD2 LEU 141 2.607 15.400 4.966 1088 2HD2 LEU 141 2HD2 LEU 141 2.289 15.173 6.682 1089 3HD2 LEU 141 3HD2 LEU 141 2.642 16.800 6.065 1090 H LYS 142 H LYS 142 6.671 15.956 2.369 1091 HA LYS 142 HA LYS 142 8.348 18.416 2.176 1092 1HB LYS 142 2HB LYS 142 8.046 16.061 0.261 1093 2HB LYS 142 3HB LYS 142 8.818 17.606 -0.086 1094 1HG LYS 142 2HG LYS 142 10.332 17.117 1.985 1095 2HG LYS 142 3HG LYS 142 9.614 15.498 1.952 1096 1HD LYS 142 2HD LYS 142 11.680 15.344 0.833 1097 2HD LYS 142 3HD LYS 142 10.429 15.247 -0.428 1098 1HE LYS 142 2HE LYS 142 10.858 17.694 -0.933 1099 2HE LYS 142 3HE LYS 142 12.093 17.713 0.340 1100 1HZ LYS 142 1HZ LYS 142 13.314 16.082 -0.931 1101 2HZ LYS 142 2HZ LYS 142 12.151 16.073 -2.105 1102 3HZ LYS 142 3HZ LYS 142 13.039 17.432 -1.829 1103 H GLY 143 H GLY 143 6.948 20.038 1.747 1104 1HA GLY 143 2HA GLY 143 5.654 21.275 0.221 1105 2HA GLY 143 3HA GLY 143 5.270 19.801 -0.672 1106 H GLU 144 H GLU 144 4.297 18.127 1.295 1107 HA GLU 144 HA GLU 144 1.688 19.019 1.478 1108 1HB GLU 144 2HB GLU 144 2.784 16.944 3.377 1109 2HB GLU 144 3HB GLU 144 1.159 17.086 2.725 1110 1HG GLU 144 2HG GLU 144 2.571 16.828 0.391 1111 2HG GLU 144 3HG GLU 144 3.632 15.933 1.503 1112 H GLN 145 H GLN 145 4.254 19.628 3.709 1113 HA GLN 145 HA GLN 145 2.449 20.625 5.833 1114 1HB GLN 145 2HB GLN 145 5.406 20.121 5.634 1115 2HB GLN 145 3HB GLN 145 4.904 21.502 6.619 1116 1HG GLN 145 2HG GLN 145 3.262 20.075 7.803 1117 2HG GLN 145 3HG GLN 145 3.886 18.669 6.946 1118 1HE2 GLN 145 1HE2 GLN 145 3.796 19.669 9.889 1119 2HE2 GLN 145 2HE2 GLN 145 5.433 19.442 10.457 1120 H ASP 146 H ASP 146 3.633 21.887 2.869 1121 HA ASP 146 HA ASP 146 4.140 24.568 3.918 1122 1HB ASP 146 2HB ASP 146 4.227 23.452 1.089 1123 2HB ASP 146 3HB ASP 146 4.789 25.035 1.614 1124 H SER 147 H SER 147 1.705 23.985 4.635 1125 HA SER 147 HA SER 147 -0.539 24.344 4.514 1126 1HB SER 147 2HB SER 147 0.563 26.970 3.456 1127 2HB SER 147 3HB SER 147 -0.968 26.743 4.327 1128 HG SER 147 HG SER 147 0.776 27.399 5.714 1129 H ILE 148 H ILE 148 0.092 22.926 2.173 1130 HA ILE 148 HA ILE 148 -0.377 23.381 -0.253 1131 HB ILE 148 HB ILE 148 -2.497 21.572 0.960 1132 1HG1 ILE 148 2HG1 ILE 148 0.422 20.866 0.518 1133 2HG1 ILE 148 3HG1 ILE 148 -0.422 20.997 2.075 1134 1HG2 ILE 148 1HG2 ILE 148 -0.897 21.349 -1.625 1135 2HG2 ILE 148 2HG2 ILE 148 -2.269 20.335 -1.126 1136 3HG2 ILE 148 3HG2 ILE 148 -2.531 22.022 -1.531 1137 1HD1 ILE 148 1HD1 ILE 148 -2.077 19.239 1.192 1138 2HD1 ILE 148 2HD1 ILE 148 -0.854 18.901 -0.059 1139 3HD1 ILE 148 3HD1 ILE 148 -0.471 18.689 1.654 1140 H GLU 149 H GLU 149 -3.480 23.260 1.524 1141 HA GLU 149 HA GLU 149 -4.526 25.621 0.025 1142 1HB GLU 149 2HB GLU 149 -5.945 22.980 0.622 1143 2HB GLU 149 3HB GLU 149 -6.764 24.444 0.068 1144 1HG GLU 149 2HG GLU 149 -5.544 24.436 -2.031 1145 2HG GLU 149 3HG GLU 149 -4.574 23.049 -1.518 1146 H GLY 150 H GLY 150 -3.165 25.474 2.559 1147 1HA GLY 150 2HA GLY 150 -3.344 26.048 4.764 1148 2HA GLY 150 3HA GLY 150 -4.950 26.704 4.418 1149 H ARG 151 H ARG 151 -6.707 25.047 4.211 1150 HA ARG 151 HA ARG 151 -8.126 23.876 5.458 1151 1HB ARG 151 2HB ARG 151 -6.622 22.191 4.140 1152 2HB ARG 151 3HB ARG 151 -6.024 21.729 5.754 1153 1HG ARG 151 2HG ARG 151 -8.330 21.133 6.437 1154 2HG ARG 151 3HG ARG 151 -8.968 21.841 4.947 1155 1HD ARG 151 2HD ARG 151 -9.019 19.614 4.444 1156 2HD ARG 151 3HD ARG 151 -7.543 20.133 3.653 1157 HE ARG 151 HE ARG 151 -7.927 18.369 6.001 1158 1HH1 ARG 151 2HH2 ARG 151 -5.509 20.265 4.293 1159 2HH1 ARG 151 1HH2 ARG 151 -4.154 19.287 4.761 1160 1HH2 ARG 151 2HH1 ARG 151 -6.176 17.028 6.644 1161 2HH2 ARG 151 1HH1 ARG 151 -4.558 17.401 6.150 Start of MODEL 10 1 1H MET 1 H1 MET 1 -1.170 -25.787 7.958 2 2H MET 1 H2 MET 1 -2.805 -25.563 7.714 3 3H MET 1 H3 MET 1 -1.781 -25.873 6.441 4 HA MET 1 HA MET 1 -2.105 -23.587 6.337 5 1HB MET 1 2HB MET 1 -2.005 -23.904 9.332 6 2HB MET 1 3HB MET 1 -1.272 -22.430 8.689 7 1HG MET 1 2HG MET 1 -4.039 -23.310 7.828 8 2HG MET 1 3HG MET 1 -3.776 -22.299 9.251 9 1HE MET 1 1HE MET 1 -4.780 -22.139 5.691 10 2HE MET 1 2HE MET 1 -5.678 -21.345 7.014 11 3HE MET 1 3HE MET 1 -4.961 -20.372 5.706 12 H LEU 2 H LEU 2 -0.295 -22.325 5.628 13 HA LEU 2 HA LEU 2 2.322 -22.584 6.578 14 1HB LEU 2 2HB LEU 2 3.374 -23.782 4.767 15 2HB LEU 2 3HB LEU 2 2.320 -24.875 5.631 16 HG LEU 2 HG LEU 2 1.419 -23.503 3.049 17 1HD1 LEU 2 1HD1 LEU 2 2.211 -25.492 1.842 18 2HD1 LEU 2 2HD1 LEU 2 3.552 -24.616 2.592 19 3HD1 LEU 2 3HD1 LEU 2 2.949 -26.115 3.334 20 1HD2 LEU 2 1HD2 LEU 2 -0.407 -24.628 4.244 21 2HD2 LEU 2 2HD2 LEU 2 0.043 -25.588 2.840 22 3HD2 LEU 2 3HD2 LEU 2 0.590 -26.089 4.451 23 H SER 3 H SER 3 3.816 -21.502 5.006 24 HA SER 3 HA SER 3 4.454 -19.821 3.750 25 1HB SER 3 2HB SER 3 3.211 -20.950 1.914 26 2HB SER 3 3HB SER 3 1.828 -19.911 2.229 27 HG SER 3 HG SER 3 2.954 -18.546 0.910 28 H GLU 4 H GLU 4 4.142 -17.496 3.314 29 HA GLU 4 HA GLU 4 2.899 -16.287 5.766 30 1HB GLU 4 2HB GLU 4 5.364 -15.502 4.160 31 2HB GLU 4 3HB GLU 4 4.615 -14.501 5.410 32 1HG GLU 4 2HG GLU 4 4.928 -16.320 7.076 33 2HG GLU 4 3HG GLU 4 5.764 -17.288 5.848 34 H GLN 5 H GLN 5 0.897 -16.371 4.395 35 HA GLN 5 HA GLN 5 0.673 -14.631 2.143 36 1HB GLN 5 2HB GLN 5 -1.658 -15.270 3.982 37 2HB GLN 5 3HB GLN 5 -1.663 -14.914 2.249 38 1HG GLN 5 2HG GLN 5 -0.844 -17.448 3.678 39 2HG GLN 5 3HG GLN 5 -2.009 -17.258 2.369 40 1HE2 GLN 5 1HE2 GLN 5 -1.049 -16.765 0.112 41 2HE2 GLN 5 2HE2 GLN 5 0.661 -17.294 -0.122 42 H LYS 6 H LYS 6 0.108 -12.482 1.980 43 HA LYS 6 HA LYS 6 0.257 -10.882 4.510 44 1HB LYS 6 2HB LYS 6 1.274 -9.166 3.277 45 2HB LYS 6 3HB LYS 6 2.071 -10.660 2.807 46 1HG LYS 6 2HG LYS 6 0.220 -10.621 0.853 47 2HG LYS 6 3HG LYS 6 0.108 -8.911 1.236 48 1HD LYS 6 2HD LYS 6 2.558 -10.522 0.517 49 2HD LYS 6 3HD LYS 6 1.626 -9.567 -0.619 50 1HE LYS 6 2HE LYS 6 2.055 -7.541 0.938 51 2HE LYS 6 3HE LYS 6 3.341 -8.536 1.659 52 1HZ LYS 6 1HZ LYS 6 3.100 -7.756 -1.178 53 2HZ LYS 6 2HZ LYS 6 4.137 -7.069 -0.103 54 3HZ LYS 6 3HZ LYS 6 4.343 -8.638 -0.546 55 H GLU 7 H GLU 7 -1.321 -9.418 4.899 56 HA GLU 7 HA GLU 7 -3.625 -9.192 3.065 57 1HB GLU 7 2HB GLU 7 -3.382 -7.955 5.824 58 2HB GLU 7 3HB GLU 7 -4.822 -8.419 4.912 59 1HG GLU 7 2HG GLU 7 -4.727 -10.115 6.453 60 2HG GLU 7 3HG GLU 7 -3.820 -10.870 5.146 61 H ILE 8 H ILE 8 -4.091 -7.317 1.989 62 HA ILE 8 HA ILE 8 -3.016 -4.789 3.117 63 HB ILE 8 HB ILE 8 -1.484 -5.238 1.370 64 1HG1 ILE 8 2HG1 ILE 8 -3.431 -3.228 0.188 65 2HG1 ILE 8 3HG1 ILE 8 -2.494 -2.905 1.658 66 1HG2 ILE 8 1HG2 ILE 8 -2.131 -5.599 -0.979 67 2HG2 ILE 8 2HG2 ILE 8 -2.742 -6.871 0.084 68 3HG2 ILE 8 3HG2 ILE 8 -3.842 -5.620 -0.527 69 1HD1 ILE 8 1HD1 ILE 8 -1.303 -3.552 -1.078 70 2HD1 ILE 8 2HD1 ILE 8 -1.328 -1.988 -0.251 71 3HD1 ILE 8 3HD1 ILE 8 -0.384 -3.328 0.428 72 H ALA 9 H ALA 9 -4.589 -3.372 3.458 73 HA ALA 9 HA ALA 9 -7.276 -3.793 2.266 74 1HB ALA 9 1HB ALA 9 -8.051 -2.529 4.249 75 2HB ALA 9 2HB ALA 9 -7.230 -4.033 4.718 76 3HB ALA 9 3HB ALA 9 -6.390 -2.473 4.869 77 H MET 10 H MET 10 -7.949 -2.146 0.944 78 HA MET 10 HA MET 10 -6.979 0.596 1.344 79 1HB MET 10 2HB MET 10 -6.203 -0.996 -1.131 80 2HB MET 10 3HB MET 10 -6.372 0.757 -1.174 81 1HG MET 10 2HG MET 10 -4.705 0.843 0.792 82 2HG MET 10 3HG MET 10 -4.290 -0.811 0.359 83 1HE MET 10 1HE MET 10 -3.043 -1.491 -1.929 84 2HE MET 10 2HE MET 10 -4.516 -0.890 -2.732 85 3HE MET 10 3HE MET 10 -2.923 -0.359 -3.295 86 H GLN 11 H GLN 11 -8.029 2.016 -0.499 87 HA GLN 11 HA GLN 11 -10.833 1.064 -0.942 88 1HB GLN 11 2HB GLN 11 -9.743 3.894 -0.782 89 2HB GLN 11 3HB GLN 11 -11.382 3.431 -1.282 90 1HG GLN 11 2HG GLN 11 -11.619 2.271 0.971 91 2HG GLN 11 3HG GLN 11 -10.090 3.029 1.426 92 1HE2 GLN 11 1HE2 GLN 11 -12.376 3.572 2.875 93 2HE2 GLN 11 2HE2 GLN 11 -12.923 5.213 2.570 94 H VAL 12 H VAL 12 -11.635 1.039 -2.944 95 HA VAL 12 HA VAL 12 -9.955 1.748 -5.263 96 HB VAL 12 HB VAL 12 -9.919 -0.670 -4.839 97 1HG1 VAL 12 1HG1 VAL 12 -12.940 -0.633 -5.201 98 2HG1 VAL 12 2HG1 VAL 12 -11.925 -2.060 -4.972 99 3HG1 VAL 12 3HG1 VAL 12 -12.133 -0.909 -3.643 100 1HG2 VAL 12 1HG2 VAL 12 -9.888 0.129 -7.144 101 2HG2 VAL 12 2HG2 VAL 12 -10.707 -1.441 -7.008 102 3HG2 VAL 12 3HG2 VAL 12 -11.668 0.037 -7.208 103 H SER 13 H SER 13 -11.131 2.594 -7.003 104 HA SER 13 HA SER 13 -13.851 3.636 -6.347 105 1HB SER 13 2HB SER 13 -11.916 4.610 -8.450 106 2HB SER 13 3HB SER 13 -13.326 5.456 -7.783 107 HG SER 13 HG SER 13 -11.276 6.168 -6.893 108 H GLY 14 H GLY 14 -15.091 4.159 -8.454 109 1HA GLY 14 2HA GLY 14 -15.931 3.612 -10.527 110 2HA GLY 14 3HA GLY 14 -14.618 2.458 -10.784 111 H MET 15 H MET 15 -16.016 1.941 -7.752 112 HA MET 15 HA MET 15 -17.092 -0.625 -8.429 113 1HB MET 15 2HB MET 15 -17.493 1.090 -5.933 114 2HB MET 15 3HB MET 15 -17.875 -0.625 -6.118 115 1HG MET 15 2HG MET 15 -15.416 -1.047 -6.548 116 2HG MET 15 3HG MET 15 -15.117 0.667 -6.230 117 1HE MET 15 1HE MET 15 -16.103 -2.753 -4.800 118 2HE MET 15 2HE MET 15 -16.413 -2.418 -3.083 119 3HE MET 15 3HE MET 15 -17.569 -1.863 -4.309 120 H THR 16 H THR 16 -18.710 -0.302 -10.087 121 HA THR 16 HA THR 16 -20.929 1.482 -9.644 122 HB THR 16 HB THR 16 -20.935 -0.966 -11.444 123 HG1 THR 16 1HG THR 16 -19.601 1.495 -11.658 124 1HG2 THR 16 1HG2 THR 16 -22.326 0.501 -12.882 125 2HG2 THR 16 2HG2 THR 16 -23.091 0.147 -11.326 126 3HG2 THR 16 3HG2 THR 16 -22.336 1.732 -11.603 127 H CYS 17 H CYS 17 -20.186 -1.790 -8.579 128 HA CYS 17 HA CYS 17 -22.454 -2.091 -6.902 129 1HB CYS 17 2HB CYS 17 -23.786 -3.712 -8.167 130 2HB CYS 17 3HB CYS 17 -23.674 -2.244 -9.140 131 HG CYS 17 HG CYS 17 -21.340 -3.185 -10.296 132 H ALA 18 H ALA 18 -22.697 -4.433 -6.222 133 HA ALA 18 HA ALA 18 -20.337 -5.585 -5.336 134 1HB ALA 18 1HB ALA 18 -22.600 -6.132 -4.467 135 2HB ALA 18 2HB ALA 18 -22.963 -7.003 -5.971 136 3HB ALA 18 3HB ALA 18 -21.684 -7.590 -4.889 137 H ALA 19 H ALA 19 -21.991 -6.172 -8.464 138 HA ALA 19 HA ALA 19 -20.488 -8.497 -9.150 139 1HB ALA 19 1HB ALA 19 -22.608 -7.787 -10.273 140 2HB ALA 19 2HB ALA 19 -21.695 -6.498 -11.093 141 3HB ALA 19 3HB ALA 19 -21.286 -8.190 -11.386 142 H CYS 20 H CYS 20 -19.733 -5.012 -9.395 143 HA CYS 20 HA CYS 20 -17.511 -5.280 -11.259 144 1HB CYS 20 2HB CYS 20 -18.262 -3.135 -9.197 145 2HB CYS 20 3HB CYS 20 -16.819 -3.068 -10.187 146 HG CYS 20 HG CYS 20 -17.897 -3.007 -12.454 147 H ALA 21 H ALA 21 -17.836 -4.714 -7.791 148 HA ALA 21 HA ALA 21 -15.229 -5.075 -6.943 149 1HB ALA 21 1HB ALA 21 -16.158 -5.152 -4.805 150 2HB ALA 21 2HB ALA 21 -17.496 -4.456 -5.701 151 3HB ALA 21 3HB ALA 21 -17.527 -6.176 -5.289 152 H ALA 22 H ALA 22 -17.725 -7.642 -7.117 153 HA ALA 22 HA ALA 22 -16.057 -9.819 -6.442 154 1HB ALA 22 1HB ALA 22 -18.554 -9.775 -8.185 155 2HB ALA 22 2HB ALA 22 -17.840 -11.208 -7.413 156 3HB ALA 22 3HB ALA 22 -18.516 -9.908 -6.412 157 H ARG 23 H ARG 23 -16.674 -8.268 -9.650 158 HA ARG 23 HA ARG 23 -15.329 -10.279 -11.160 159 1HB ARG 23 2HB ARG 23 -16.309 -7.478 -11.634 160 2HB ARG 23 3HB ARG 23 -14.930 -7.949 -12.597 161 1HG ARG 23 2HG ARG 23 -17.537 -9.522 -12.422 162 2HG ARG 23 3HG ARG 23 -17.060 -8.395 -13.705 163 1HD ARG 23 2HD ARG 23 -14.835 -10.003 -13.554 164 2HD ARG 23 3HD ARG 23 -16.093 -11.181 -13.163 165 HE ARG 23 HE ARG 23 -17.119 -9.862 -15.359 166 1HH1 ARG 23 2HH2 ARG 23 -14.113 -11.591 -14.758 167 2HH1 ARG 23 1HH2 ARG 23 -13.828 -12.012 -16.420 168 1HH2 ARG 23 2HH1 ARG 23 -16.755 -10.353 -17.586 169 2HH2 ARG 23 1HH1 ARG 23 -15.384 -11.291 -18.066 170 H ILE 24 H ILE 24 -14.206 -7.261 -9.512 171 HA ILE 24 HA ILE 24 -11.511 -7.507 -10.395 172 HB ILE 24 HB ILE 24 -12.559 -6.313 -7.803 173 1HG1 ILE 24 2HG1 ILE 24 -11.857 -4.899 -10.432 174 2HG1 ILE 24 3HG1 ILE 24 -13.510 -5.325 -10.025 175 1HG2 ILE 24 1HG2 ILE 24 -10.199 -6.789 -7.748 176 2HG2 ILE 24 2HG2 ILE 24 -9.974 -5.926 -9.292 177 3HG2 ILE 24 3HG2 ILE 24 -10.500 -5.053 -7.823 178 1HD1 ILE 24 1HD1 ILE 24 -13.359 -3.112 -9.344 179 2HD1 ILE 24 2HD1 ILE 24 -13.186 -4.014 -7.836 180 3HD1 ILE 24 3HD1 ILE 24 -11.747 -3.319 -8.631 181 H GLU 25 H GLU 25 -13.008 -8.533 -7.205 182 HA GLU 25 HA GLU 25 -10.648 -9.760 -6.386 183 1HB GLU 25 2HB GLU 25 -13.477 -10.532 -5.570 184 2HB GLU 25 3HB GLU 25 -11.981 -10.881 -4.683 185 1HG GLU 25 2HG GLU 25 -13.165 -8.122 -5.211 186 2HG GLU 25 3HG GLU 25 -13.035 -8.974 -3.681 187 H LYS 26 H LYS 26 -13.265 -11.231 -8.376 188 HA LYS 26 HA LYS 26 -12.131 -13.844 -8.281 189 1HB LYS 26 2HB LYS 26 -14.466 -13.358 -8.746 190 2HB LYS 26 3HB LYS 26 -14.035 -12.575 -10.278 191 1HG LYS 26 2HG LYS 26 -13.491 -14.536 -11.293 192 2HG LYS 26 3HG LYS 26 -12.920 -15.307 -9.812 193 1HD LYS 26 2HD LYS 26 -14.848 -16.561 -10.284 194 2HD LYS 26 3HD LYS 26 -15.274 -15.475 -8.978 195 1HE LYS 26 2HE LYS 26 -17.136 -15.159 -10.263 196 2HE LYS 26 3HE LYS 26 -16.130 -13.895 -10.979 197 1HZ LYS 26 1HZ LYS 26 -16.537 -16.639 -12.006 198 2HZ LYS 26 2HZ LYS 26 -17.171 -15.269 -12.642 199 3HZ LYS 26 3HZ LYS 26 -15.545 -15.528 -12.706 200 H GLY 27 H GLY 27 -11.751 -11.041 -10.492 201 1HA GLY 27 2HA GLY 27 -10.079 -12.268 -12.451 202 2HA GLY 27 3HA GLY 27 -10.156 -10.545 -12.030 203 H LEU 28 H LEU 28 -9.401 -10.657 -9.327 204 HA LEU 28 HA LEU 28 -6.535 -10.964 -9.509 205 1HB LEU 28 2HB LEU 28 -8.506 -10.120 -7.377 206 2HB LEU 28 3HB LEU 28 -6.873 -10.541 -6.898 207 HG LEU 28 HG LEU 28 -7.200 -8.083 -7.260 208 1HD1 LEU 28 1HD1 LEU 28 -5.129 -7.709 -8.360 209 2HD1 LEU 28 2HD1 LEU 28 -4.977 -9.175 -7.375 210 3HD1 LEU 28 3HD1 LEU 28 -5.141 -9.301 -9.135 211 1HD2 LEU 28 1HD2 LEU 28 -7.437 -8.717 -10.211 212 2HD2 LEU 28 2HD2 LEU 28 -8.732 -8.133 -9.148 213 3HD2 LEU 28 3HD2 LEU 28 -7.339 -7.118 -9.427 214 H LYS 29 H LYS 29 -9.146 -12.899 -7.975 215 HA LYS 29 HA LYS 29 -7.515 -14.816 -6.759 216 1HB LYS 29 2HB LYS 29 -10.177 -14.480 -6.807 217 2HB LYS 29 3HB LYS 29 -10.063 -15.715 -8.054 218 1HG LYS 29 2HG LYS 29 -10.227 -17.140 -6.272 219 2HG LYS 29 3HG LYS 29 -8.506 -16.839 -6.109 220 1HD LYS 29 2HD LYS 29 -9.269 -16.486 -3.940 221 2HD LYS 29 3HD LYS 29 -9.210 -14.832 -4.574 222 1HE LYS 29 2HE LYS 29 -11.692 -14.963 -5.031 223 2HE LYS 29 3HE LYS 29 -11.691 -16.603 -4.372 224 1HZ LYS 29 1HZ LYS 29 -10.959 -15.610 -2.231 225 2HZ LYS 29 2HZ LYS 29 -11.224 -14.096 -2.843 226 3HZ LYS 29 3HZ LYS 29 -12.445 -15.154 -2.714 227 H ARG 30 H ARG 30 -8.034 -14.324 -10.164 228 HA ARG 30 HA ARG 30 -7.285 -16.851 -11.177 229 1HB ARG 30 2HB ARG 30 -8.002 -14.504 -12.320 230 2HB ARG 30 3HB ARG 30 -6.264 -14.305 -12.438 231 1HG ARG 30 2HG ARG 30 -6.843 -15.281 -14.477 232 2HG ARG 30 3HG ARG 30 -6.248 -16.661 -13.548 233 1HD ARG 30 2HD ARG 30 -8.601 -17.262 -12.955 234 2HD ARG 30 3HD ARG 30 -9.212 -15.897 -13.871 235 HE ARG 30 HE ARG 30 -8.302 -18.489 -14.825 236 1HH1 ARG 30 2HH2 ARG 30 -8.594 -15.131 -15.800 237 2HH1 ARG 30 1HH2 ARG 30 -8.831 -15.453 -17.494 238 1HH2 ARG 30 2HH1 ARG 30 -8.627 -18.987 -17.065 239 2HH2 ARG 30 1HH1 ARG 30 -8.835 -17.717 -18.223 240 H MET 31 H MET 31 -5.328 -14.314 -9.652 241 HA MET 31 HA MET 31 -2.817 -15.131 -10.761 242 1HB MET 31 2HB MET 31 -3.613 -13.366 -8.449 243 2HB MET 31 3HB MET 31 -1.929 -13.716 -8.812 244 1HG MET 31 2HG MET 31 -3.610 -12.840 -11.134 245 2HG MET 31 3HG MET 31 -3.242 -11.634 -9.915 246 1HE MET 31 1HE MET 31 -1.977 -10.167 -11.781 247 2HE MET 31 2HE MET 31 -0.681 -10.812 -12.813 248 3HE MET 31 3HE MET 31 -2.346 -11.414 -13.007 249 HA PRO 32 HA PRO 32 -2.124 -18.606 -7.971 250 1HB PRO 32 2HB PRO 32 0.354 -19.308 -8.801 251 2HB PRO 32 3HB PRO 32 -1.089 -19.628 -9.807 252 1HG PRO 32 2HG PRO 32 0.868 -17.333 -10.054 253 2HG PRO 32 3HG PRO 32 0.237 -18.376 -11.354 254 1HD PRO 32 2HD PRO 32 -0.787 -15.908 -10.735 255 2HD PRO 32 3HD PRO 32 -1.819 -17.220 -11.390 256 H GLY 33 H GLY 33 -2.277 -16.823 -6.471 257 1HA GLY 33 2HA GLY 33 -0.080 -16.725 -4.652 258 2HA GLY 33 3HA GLY 33 -0.104 -15.216 -5.577 259 H VAL 34 H VAL 34 -2.974 -15.060 -5.961 260 HA VAL 34 HA VAL 34 -3.819 -13.916 -3.485 261 HB VAL 34 HB VAL 34 -5.320 -14.700 -5.976 262 1HG1 VAL 34 1HG1 VAL 34 -6.369 -13.356 -3.435 263 2HG1 VAL 34 2HG1 VAL 34 -7.217 -13.385 -4.997 264 3HG1 VAL 34 3HG1 VAL 34 -6.926 -14.895 -4.127 265 1HG2 VAL 34 1HG2 VAL 34 -3.766 -12.739 -6.083 266 2HG2 VAL 34 2HG2 VAL 34 -5.456 -12.224 -6.194 267 3HG2 VAL 34 3HG2 VAL 34 -4.582 -12.024 -4.677 268 H THR 35 H THR 35 -4.310 -14.761 -1.678 269 HA THR 35 HA THR 35 -5.091 -17.599 -1.471 270 HB THR 35 HB THR 35 -4.500 -15.526 0.677 271 HG1 THR 35 1HG THR 35 -2.906 -17.150 -0.907 272 1HG2 THR 35 1HG2 THR 35 -4.249 -17.489 2.138 273 2HG2 THR 35 2HG2 THR 35 -5.867 -17.466 1.440 274 3HG2 THR 35 3HG2 THR 35 -4.642 -18.576 0.789 275 H ASP 36 H ASP 36 -6.211 -14.269 -0.496 276 HA ASP 36 HA ASP 36 -9.001 -15.195 -0.666 277 1HB ASP 36 2HB ASP 36 -8.184 -16.050 1.511 278 2HB ASP 36 3HB ASP 36 -7.787 -14.400 2.007 279 H ALA 37 H ALA 37 -8.986 -13.619 -2.288 280 HA ALA 37 HA ALA 37 -8.755 -10.783 -1.688 281 1HB ALA 37 1HB ALA 37 -9.524 -10.596 -4.069 282 2HB ALA 37 2HB ALA 37 -8.153 -11.674 -3.877 283 3HB ALA 37 3HB ALA 37 -9.789 -12.341 -4.104 284 H ASN 38 H ASN 38 -10.342 -9.512 -0.900 285 HA ASN 38 HA ASN 38 -13.204 -10.274 -1.017 286 1HB ASN 38 2HB ASN 38 -11.625 -9.616 1.520 287 2HB ASN 38 3HB ASN 38 -13.389 -9.636 1.415 288 1HD2 ASN 38 1HD2 ASN 38 -10.452 -11.717 1.194 289 2HD2 ASN 38 2HD2 ASN 38 -11.341 -13.213 1.374 290 H VAL 39 H VAL 39 -14.624 -8.429 -0.579 291 HA VAL 39 HA VAL 39 -13.459 -5.757 -0.365 292 HB VAL 39 HB VAL 39 -13.093 -6.260 -2.714 293 1HG1 VAL 39 1HG1 VAL 39 -16.090 -6.644 -3.066 294 2HG1 VAL 39 2HG1 VAL 39 -14.798 -6.811 -4.271 295 3HG1 VAL 39 3HG1 VAL 39 -14.948 -7.986 -2.969 296 1HG2 VAL 39 1HG2 VAL 39 -14.190 -4.345 -3.692 297 2HG2 VAL 39 2HG2 VAL 39 -15.423 -4.342 -2.408 298 3HG2 VAL 39 3HG2 VAL 39 -13.736 -3.952 -2.028 299 H ASN 40 H ASN 40 -14.635 -4.689 0.933 300 HA ASN 40 HA ASN 40 -17.532 -5.333 1.338 301 1HB ASN 40 2HB ASN 40 -15.405 -3.921 2.968 302 2HB ASN 40 3HB ASN 40 -17.107 -3.506 3.181 303 1HD2 ASN 40 1HD2 ASN 40 -18.551 -4.916 4.198 304 2HD2 ASN 40 2HD2 ASN 40 -17.997 -6.405 4.939 305 H LEU 41 H LEU 41 -18.402 -4.398 -0.534 306 HA LEU 41 HA LEU 41 -17.781 -1.743 -1.425 307 1HB LEU 41 2HB LEU 41 -19.561 -1.931 -2.899 308 2HB LEU 41 3HB LEU 41 -19.008 -3.586 -2.711 309 HG LEU 41 HG LEU 41 -20.983 -3.435 -0.786 310 1HD1 LEU 41 1HD1 LEU 41 -21.905 -1.717 -3.146 311 2HD1 LEU 41 2HD1 LEU 41 -22.904 -2.238 -1.776 312 3HD1 LEU 41 3HD1 LEU 41 -21.585 -1.085 -1.522 313 1HD2 LEU 41 1HD2 LEU 41 -20.771 -5.198 -2.470 314 2HD2 LEU 41 2HD2 LEU 41 -22.433 -4.580 -2.416 315 3HD2 LEU 41 3HD2 LEU 41 -21.344 -4.072 -3.728 316 H ALA 42 H ALA 42 -19.657 -2.941 1.196 317 HA ALA 42 HA ALA 42 -21.443 -0.790 1.589 318 1HB ALA 42 1HB ALA 42 -20.184 -2.664 3.652 319 2HB ALA 42 2HB ALA 42 -21.625 -1.660 3.908 320 3HB ALA 42 3HB ALA 42 -21.668 -2.982 2.725 321 H THR 43 H THR 43 -18.072 -1.319 2.653 322 HA THR 43 HA THR 43 -17.909 1.495 3.617 323 HB THR 43 HB THR 43 -16.008 0.618 4.926 324 HG1 THR 43 1HG THR 43 -15.603 -1.585 4.910 325 1HG2 THR 43 1HG2 THR 43 -18.435 -1.206 5.332 326 2HG2 THR 43 2HG2 THR 43 -17.316 -0.589 6.556 327 3HG2 THR 43 3HG2 THR 43 -18.449 0.514 5.736 328 H GLU 44 H GLU 44 -17.684 0.219 0.757 329 HA GLU 44 HA GLU 44 -16.228 0.051 -0.990 330 1HB GLU 44 2HB GLU 44 -15.782 2.902 -0.019 331 2HB GLU 44 3HB GLU 44 -15.332 2.299 -1.622 332 1HG GLU 44 2HG GLU 44 -17.672 1.710 -2.101 333 2HG GLU 44 3HG GLU 44 -18.172 2.322 -0.512 334 H THR 45 H THR 45 -14.953 -1.462 0.805 335 HA THR 45 HA THR 45 -12.111 -0.481 0.874 336 HB THR 45 HB THR 45 -13.776 -1.861 3.009 337 HG1 THR 45 1HG THR 45 -13.854 0.467 2.816 338 1HG2 THR 45 1HG2 THR 45 -11.662 -1.755 4.365 339 2HG2 THR 45 2HG2 THR 45 -11.604 -2.911 3.023 340 3HG2 THR 45 3HG2 THR 45 -10.777 -1.340 2.880 341 H VAL 46 H VAL 46 -10.856 -1.805 -0.309 342 HA VAL 46 HA VAL 46 -11.741 -4.576 -0.896 343 HB VAL 46 HB VAL 46 -11.424 -3.295 -2.885 344 1HG1 VAL 46 1HG1 VAL 46 -10.002 -1.448 -2.251 345 2HG1 VAL 46 2HG1 VAL 46 -8.650 -2.537 -1.856 346 3HG1 VAL 46 3HG1 VAL 46 -9.190 -2.366 -3.523 347 1HG2 VAL 46 1HG2 VAL 46 -8.989 -5.042 -2.471 348 2HG2 VAL 46 2HG2 VAL 46 -10.624 -5.653 -2.803 349 3HG2 VAL 46 3HG2 VAL 46 -9.783 -4.664 -4.012 350 H ASN 47 H ASN 47 -10.611 -6.215 -0.015 351 HA ASN 47 HA ASN 47 -8.084 -5.612 1.436 352 1HB ASN 47 2HB ASN 47 -10.424 -7.364 2.310 353 2HB ASN 47 3HB ASN 47 -8.816 -7.417 3.049 354 1HD2 ASN 47 1HD2 ASN 47 -10.763 -6.957 4.805 355 2HD2 ASN 47 2HD2 ASN 47 -10.792 -5.262 5.262 356 H VAL 48 H VAL 48 -6.525 -6.736 0.334 357 HA VAL 48 HA VAL 48 -7.354 -9.241 -1.081 358 HB VAL 48 HB VAL 48 -5.023 -7.569 -1.995 359 1HG1 VAL 48 1HG1 VAL 48 -5.523 -8.754 -4.112 360 2HG1 VAL 48 2HG1 VAL 48 -5.309 -9.936 -2.808 361 3HG1 VAL 48 3HG1 VAL 48 -6.935 -9.517 -3.378 362 1HG2 VAL 48 1HG2 VAL 48 -6.882 -6.003 -2.117 363 2HG2 VAL 48 2HG2 VAL 48 -6.575 -6.625 -3.740 364 3HG2 VAL 48 3HG2 VAL 48 -7.947 -7.256 -2.808 365 H ILE 49 H ILE 49 -6.388 -11.055 -0.391 366 HA ILE 49 HA ILE 49 -4.011 -10.786 1.346 367 HB ILE 49 HB ILE 49 -6.213 -12.845 1.522 368 1HG1 ILE 49 2HG1 ILE 49 -5.550 -10.566 3.442 369 2HG1 ILE 49 3HG1 ILE 49 -6.868 -10.500 2.269 370 1HG2 ILE 49 1HG2 ILE 49 -3.765 -12.340 3.274 371 2HG2 ILE 49 2HG2 ILE 49 -5.022 -13.551 3.595 372 3HG2 ILE 49 3HG2 ILE 49 -3.985 -13.716 2.187 373 1HD1 ILE 49 1HD1 ILE 49 -7.751 -11.070 4.424 374 2HD1 ILE 49 2HD1 ILE 49 -7.969 -12.423 3.303 375 3HD1 ILE 49 3HD1 ILE 49 -6.704 -12.487 4.554 376 H TYR 50 H TYR 50 -2.192 -11.767 0.460 377 HA TYR 50 HA TYR 50 -2.453 -14.053 -1.345 378 1HB TYR 50 2HB TYR 50 -1.573 -12.878 -3.337 379 2HB TYR 50 3HB TYR 50 -3.071 -12.115 -2.800 380 HD1 TYR 50 HD1 TYR 50 0.521 -11.605 -3.259 381 HD2 TYR 50 HD2 TYR 50 -3.181 -9.958 -1.800 382 HE1 TYR 50 HE1 TYR 50 1.571 -9.364 -3.113 383 HE2 TYR 50 HE2 TYR 50 -2.180 -7.725 -1.803 384 HH TYR 50 HH TYR 50 -0.160 -6.623 -1.608 385 H ASP 51 H ASP 51 -0.268 -14.563 -2.412 386 HA ASP 51 HA ASP 51 1.626 -14.621 -0.242 387 1HB ASP 51 2HB ASP 51 0.937 -16.455 -2.058 388 2HB ASP 51 3HB ASP 51 2.249 -15.738 -2.982 389 HA PRO 52 HA PRO 52 3.991 -11.137 -1.871 390 1HB PRO 52 2HB PRO 52 6.173 -11.220 -0.065 391 2HB PRO 52 3HB PRO 52 4.614 -10.550 0.348 392 1HG PRO 52 2HG PRO 52 5.707 -13.294 0.902 393 2HG PRO 52 3HG PRO 52 4.763 -12.250 2.000 394 1HD PRO 52 2HD PRO 52 3.699 -14.357 0.631 395 2HD PRO 52 3HD PRO 52 2.737 -12.900 0.994 396 H ALA 53 H ALA 53 4.461 -13.944 -3.034 397 HA ALA 53 HA ALA 53 7.237 -13.463 -4.003 398 1HB ALA 53 1HB ALA 53 7.499 -14.757 -1.871 399 2HB ALA 53 2HB ALA 53 6.432 -16.016 -2.547 400 3HB ALA 53 3HB ALA 53 8.008 -15.689 -3.297 401 H GLU 54 H GLU 54 4.439 -13.708 -4.963 402 HA GLU 54 HA GLU 54 5.060 -15.341 -7.353 403 1HB GLU 54 2HB GLU 54 2.436 -15.453 -5.784 404 2HB GLU 54 3HB GLU 54 2.792 -16.210 -7.346 405 1HG GLU 54 2HG GLU 54 4.684 -17.479 -6.201 406 2HG GLU 54 3HG GLU 54 4.029 -16.910 -4.655 407 H THR 55 H THR 55 2.990 -12.783 -5.769 408 HA THR 55 HA THR 55 1.956 -11.984 -8.418 409 HB THR 55 HB THR 55 0.988 -12.162 -5.551 410 HG1 THR 55 1HG THR 55 0.928 -13.961 -7.108 411 1HG2 THR 55 1HG2 THR 55 0.055 -10.022 -6.467 412 2HG2 THR 55 2HG2 THR 55 -0.493 -10.966 -7.874 413 3HG2 THR 55 3HG2 THR 55 -1.079 -11.369 -6.222 414 H GLY 56 H GLY 56 1.835 -10.152 -5.379 415 1HA GLY 56 2HA GLY 56 3.586 -8.639 -4.652 416 2HA GLY 56 3HA GLY 56 3.994 -8.306 -6.335 417 H THR 57 H THR 57 2.497 -7.037 -3.818 418 HA THR 57 HA THR 57 0.206 -5.759 -4.205 419 HB THR 57 HB THR 57 1.591 -5.165 -2.388 420 HG1 THR 57 1HG THR 57 1.647 -2.721 -2.895 421 1HG2 THR 57 1HG2 THR 57 3.474 -3.648 -4.212 422 2HG2 THR 57 2HG2 THR 57 3.585 -3.932 -2.469 423 3HG2 THR 57 3HG2 THR 57 3.774 -5.292 -3.587 424 H ALA 58 H ALA 58 3.105 -4.802 -6.082 425 HA ALA 58 HA ALA 58 1.842 -2.698 -7.511 426 1HB ALA 58 1HB ALA 58 3.743 -2.889 -9.065 427 2HB ALA 58 2HB ALA 58 4.285 -2.964 -7.377 428 3HB ALA 58 3HB ALA 58 4.190 -4.453 -8.347 429 H ALA 59 H ALA 59 2.044 -6.210 -8.184 430 HA ALA 59 HA ALA 59 0.822 -5.977 -10.810 431 1HB ALA 59 1HB ALA 59 2.324 -7.881 -9.887 432 2HB ALA 59 2HB ALA 59 0.829 -8.462 -9.110 433 3HB ALA 59 3HB ALA 59 0.899 -8.277 -10.878 434 H ILE 60 H ILE 60 -0.222 -6.550 -7.434 435 HA ILE 60 HA ILE 60 -2.924 -7.255 -7.958 436 HB ILE 60 HB ILE 60 -1.988 -5.526 -5.641 437 1HG1 ILE 60 2HG1 ILE 60 -0.698 -7.730 -5.833 438 2HG1 ILE 60 3HG1 ILE 60 -1.520 -7.331 -4.337 439 1HG2 ILE 60 1HG2 ILE 60 -4.363 -5.502 -5.748 440 2HG2 ILE 60 2HG2 ILE 60 -4.429 -7.262 -5.963 441 3HG2 ILE 60 3HG2 ILE 60 -3.862 -6.576 -4.428 442 1HD1 ILE 60 1HD1 ILE 60 -3.312 -8.907 -4.831 443 2HD1 ILE 60 2HD1 ILE 60 -2.600 -9.240 -6.437 444 3HD1 ILE 60 3HD1 ILE 60 -1.738 -9.674 -4.939 445 H GLN 61 H GLN 61 -1.466 -4.012 -7.312 446 HA GLN 61 HA GLN 61 -3.891 -2.643 -7.878 447 1HB GLN 61 2HB GLN 61 -2.860 -0.707 -7.387 448 2HB GLN 61 3HB GLN 61 -1.822 -1.862 -6.549 449 1HG GLN 61 2HG GLN 61 -0.276 -1.693 -8.591 450 2HG GLN 61 3HG GLN 61 -1.239 -0.306 -9.088 451 1HE2 GLN 61 1HE2 GLN 61 -1.188 1.610 -7.497 452 2HE2 GLN 61 2HE2 GLN 61 0.203 1.726 -6.418 453 H GLU 62 H GLU 62 -1.155 -3.631 -10.017 454 HA GLU 62 HA GLU 62 -2.059 -2.281 -12.335 455 1HB GLU 62 2HB GLU 62 0.121 -3.603 -12.056 456 2HB GLU 62 3HB GLU 62 -0.855 -5.067 -12.270 457 1HG GLU 62 2HG GLU 62 -1.677 -3.970 -14.475 458 2HG GLU 62 3HG GLU 62 -0.355 -2.820 -14.250 459 H LYS 63 H LYS 63 -3.094 -5.450 -10.894 460 HA LYS 63 HA LYS 63 -4.627 -6.178 -13.147 461 1HB LYS 63 2HB LYS 63 -3.843 -7.348 -10.648 462 2HB LYS 63 3HB LYS 63 -5.586 -7.407 -10.710 463 1HG LYS 63 2HG LYS 63 -3.698 -8.473 -12.841 464 2HG LYS 63 3HG LYS 63 -4.493 -9.416 -11.580 465 1HD LYS 63 2HD LYS 63 -6.166 -9.790 -12.982 466 2HD LYS 63 3HD LYS 63 -6.661 -8.114 -12.702 467 1HE LYS 63 2HE LYS 63 -5.462 -7.368 -14.716 468 2HE LYS 63 3HE LYS 63 -4.678 -8.940 -14.883 469 1HZ LYS 63 1HZ LYS 63 -6.474 -8.672 -16.414 470 2HZ LYS 63 2HZ LYS 63 -6.862 -9.864 -15.349 471 3HZ LYS 63 3HZ LYS 63 -7.547 -8.372 -15.213 472 H ILE 64 H ILE 64 -5.420 -4.616 -10.021 473 HA ILE 64 HA ILE 64 -8.221 -4.326 -10.401 474 HB ILE 64 HB ILE 64 -6.196 -2.550 -8.974 475 1HG1 ILE 64 2HG1 ILE 64 -8.189 -4.601 -7.896 476 2HG1 ILE 64 3HG1 ILE 64 -6.480 -4.931 -8.150 477 1HG2 ILE 64 1HG2 ILE 64 -8.197 -1.219 -9.511 478 2HG2 ILE 64 2HG2 ILE 64 -9.241 -2.504 -8.861 479 3HG2 ILE 64 3HG2 ILE 64 -8.159 -1.579 -7.796 480 1HD1 ILE 64 1HD1 ILE 64 -7.652 -2.965 -6.156 481 2HD1 ILE 64 2HD1 ILE 64 -6.763 -4.457 -5.842 482 3HD1 ILE 64 3HD1 ILE 64 -5.919 -3.068 -6.555 483 H GLU 65 H GLU 65 -5.501 -2.135 -11.419 484 HA GLU 65 HA GLU 65 -7.284 -0.327 -12.702 485 1HB GLU 65 2HB GLU 65 -4.308 -0.797 -13.130 486 2HB GLU 65 3HB GLU 65 -5.251 0.472 -13.914 487 1HG GLU 65 2HG GLU 65 -6.075 1.009 -11.440 488 2HG GLU 65 3HG GLU 65 -4.615 0.142 -10.963 489 H LYS 66 H LYS 66 -5.496 -3.070 -14.098 490 HA LYS 66 HA LYS 66 -6.431 -2.822 -16.763 491 1HB LYS 66 2HB LYS 66 -5.393 -5.079 -15.100 492 2HB LYS 66 3HB LYS 66 -6.122 -5.417 -16.682 493 1HG LYS 66 2HG LYS 66 -4.620 -3.892 -17.805 494 2HG LYS 66 3HG LYS 66 -3.894 -3.380 -16.255 495 1HD LYS 66 2HD LYS 66 -2.900 -5.487 -15.885 496 2HD LYS 66 3HD LYS 66 -3.994 -6.299 -17.014 497 1HE LYS 66 2HE LYS 66 -1.791 -6.246 -18.005 498 2HE LYS 66 3HE LYS 66 -2.899 -5.242 -18.952 499 1HZ LYS 66 1HZ LYS 66 -0.782 -4.172 -18.613 500 2HZ LYS 66 2HZ LYS 66 -1.917 -3.310 -17.774 501 3HZ LYS 66 3HZ LYS 66 -0.882 -4.335 -17.004 502 H LEU 67 H LEU 67 -8.066 -4.319 -13.907 503 HA LEU 67 HA LEU 67 -10.283 -5.352 -15.397 504 1HB LEU 67 2HB LEU 67 -9.606 -4.728 -12.545 505 2HB LEU 67 3HB LEU 67 -11.298 -4.851 -12.927 506 HG LEU 67 HG LEU 67 -9.947 -6.866 -12.072 507 1HD1 LEU 67 1HD1 LEU 67 -11.625 -8.368 -13.137 508 2HD1 LEU 67 2HD1 LEU 67 -12.367 -6.855 -12.592 509 3HD1 LEU 67 3HD1 LEU 67 -12.012 -7.091 -14.314 510 1HD2 LEU 67 1HD2 LEU 67 -9.143 -8.425 -13.652 511 2HD2 LEU 67 2HD2 LEU 67 -9.623 -7.427 -15.035 512 3HD2 LEU 67 3HD2 LEU 67 -8.306 -6.890 -13.965 513 H GLY 68 H GLY 68 -9.412 -2.078 -14.907 514 1HA GLY 68 2HA GLY 68 -10.458 -0.374 -16.094 515 2HA GLY 68 3HA GLY 68 -11.983 -1.267 -16.147 516 H TYR 69 H TYR 69 -9.803 -0.489 -13.442 517 HA TYR 69 HA TYR 69 -11.816 1.311 -12.185 518 1HB TYR 69 2HB TYR 69 -10.424 -1.007 -10.795 519 2HB TYR 69 3HB TYR 69 -11.475 0.171 -10.021 520 HD1 TYR 69 HD1 TYR 69 -11.330 -2.749 -12.217 521 HD2 TYR 69 HD2 TYR 69 -13.946 0.160 -10.463 522 HE1 TYR 69 HE1 TYR 69 -13.324 -4.044 -13.011 523 HE2 TYR 69 HE2 TYR 69 -15.913 -1.123 -11.249 524 HH TYR 69 HH TYR 69 -15.555 -4.063 -13.238 525 H HIS 70 H HIS 70 -10.581 2.183 -10.021 526 HA HIS 70 HA HIS 70 -7.711 2.562 -10.495 527 1HB HIS 70 2HB HIS 70 -9.737 4.827 -10.452 528 2HB HIS 70 3HB HIS 70 -8.114 5.062 -9.812 529 HD1 HIS 70 1HD HIS 70 -6.172 3.892 -11.865 530 HD2 HIS 70 2HD HIS 70 -9.710 6.017 -12.782 531 HE1 HIS 70 1HE HIS 70 -5.837 4.929 -14.149 532 H VAL 71 H VAL 71 -6.674 3.372 -8.554 533 HA VAL 71 HA VAL 71 -8.040 2.415 -6.083 534 HB VAL 71 HB VAL 71 -5.697 2.099 -5.301 535 1HG1 VAL 71 1HG1 VAL 71 -6.455 0.546 -7.807 536 2HG1 VAL 71 2HG1 VAL 71 -5.326 0.018 -6.545 537 3HG1 VAL 71 3HG1 VAL 71 -7.043 0.230 -6.160 538 1HG2 VAL 71 1HG2 VAL 71 -4.868 2.483 -8.215 539 2HG2 VAL 71 2HG2 VAL 71 -4.528 3.640 -6.908 540 3HG2 VAL 71 3HG2 VAL 71 -3.843 2.011 -6.855 541 H VAL 72 H VAL 72 -8.097 3.700 -4.260 542 HA VAL 72 HA VAL 72 -7.894 6.586 -4.825 543 HB VAL 72 HB VAL 72 -8.762 5.077 -2.344 544 1HG1 VAL 72 1HG1 VAL 72 -8.390 7.430 -1.749 545 2HG1 VAL 72 2HG1 VAL 72 -9.225 7.970 -3.219 546 3HG1 VAL 72 3HG1 VAL 72 -10.121 7.179 -1.906 547 1HG2 VAL 72 1HG2 VAL 72 -10.536 6.229 -4.501 548 2HG2 VAL 72 2HG2 VAL 72 -10.208 4.490 -4.302 549 3HG2 VAL 72 3HG2 VAL 72 -11.059 5.375 -3.035 550 H THR 73 H THR 73 -5.392 5.770 -5.104 551 HA THR 73 HA THR 73 -3.999 6.057 -2.479 552 HB THR 73 HB THR 73 -3.087 4.102 -4.592 553 HG1 THR 73 1HG THR 73 -4.339 2.511 -3.539 554 1HG2 THR 73 1HG2 THR 73 -3.141 3.758 -1.598 555 2HG2 THR 73 2HG2 THR 73 -2.001 3.070 -2.741 556 3HG2 THR 73 3HG2 THR 73 -1.924 4.799 -2.348 557 H GLU 74 H GLU 74 -2.057 7.220 -2.501 558 HA GLU 74 HA GLU 74 -1.264 8.382 -5.117 559 1HB GLU 74 2HB GLU 74 -1.462 10.658 -4.192 560 2HB GLU 74 3HB GLU 74 -3.010 9.812 -4.303 561 1HG GLU 74 2HG GLU 74 -2.739 9.246 -1.813 562 2HG GLU 74 3HG GLU 74 -1.393 10.391 -1.797 563 H LYS 75 H LYS 75 0.742 9.120 -5.275 564 HA LYS 75 HA LYS 75 2.730 8.003 -3.432 565 1HB LYS 75 2HB LYS 75 4.279 8.254 -5.175 566 2HB LYS 75 3HB LYS 75 2.810 7.525 -5.790 567 1HG LYS 75 2HG LYS 75 2.271 10.132 -6.381 568 2HG LYS 75 3HG LYS 75 4.026 10.207 -6.319 569 1HD LYS 75 2HD LYS 75 3.514 9.814 -8.574 570 2HD LYS 75 3HD LYS 75 4.109 8.262 -7.952 571 1HE LYS 75 2HE LYS 75 1.762 7.434 -7.746 572 2HE LYS 75 3HE LYS 75 1.144 9.029 -8.205 573 1HZ LYS 75 1HZ LYS 75 2.719 7.248 -9.936 574 2HZ LYS 75 2HZ LYS 75 1.097 7.499 -10.018 575 3HZ LYS 75 3HZ LYS 75 2.132 8.730 -10.360 576 H ALA 76 H ALA 76 2.407 9.342 -1.643 577 HA ALA 76 HA ALA 76 2.843 12.282 -1.956 578 1HB ALA 76 1HB ALA 76 1.108 11.528 -0.416 579 2HB ALA 76 2HB ALA 76 2.289 10.561 0.492 580 3HB ALA 76 3HB ALA 76 2.413 12.332 0.473 581 H GLU 77 H GLU 77 4.635 13.377 -0.706 582 HA GLU 77 HA GLU 77 7.067 11.626 -0.633 583 1HB GLU 77 2HB GLU 77 6.851 14.596 -1.249 584 2HB GLU 77 3HB GLU 77 8.320 13.642 -0.935 585 1HG GLU 77 2HG GLU 77 7.968 12.294 -2.923 586 2HG GLU 77 3HG GLU 77 6.514 13.233 -3.313 587 H PHE 78 H PHE 78 7.869 11.273 1.314 588 HA PHE 78 HA PHE 78 7.548 13.335 3.455 589 1HB PHE 78 2HB PHE 78 7.604 10.316 3.621 590 2HB PHE 78 3HB PHE 78 7.978 11.371 4.983 591 HD1 PHE 78 1HD PHE 78 5.288 11.025 2.344 592 HD2 PHE 78 2HD PHE 78 6.223 11.902 6.460 593 HE1 PHE 78 1HE PHE 78 2.983 11.845 2.708 594 HE2 PHE 78 2HE PHE 78 3.866 12.535 6.850 595 HZ PHE 78 HZ PHE 78 2.317 12.712 4.895 596 H ASP 79 H ASP 79 9.315 13.616 4.776 597 HA ASP 79 HA ASP 79 12.007 13.163 3.547 598 1HB ASP 79 2HB ASP 79 11.535 15.468 3.403 599 2HB ASP 79 3HB ASP 79 10.653 15.495 4.932 600 H ILE 80 H ILE 80 13.679 12.466 5.117 601 HA ILE 80 HA ILE 80 12.457 11.365 7.623 602 HB ILE 80 HB ILE 80 14.582 9.971 6.062 603 1HG1 ILE 80 2HG1 ILE 80 11.636 9.523 5.449 604 2HG1 ILE 80 3HG1 ILE 80 12.691 10.472 4.400 605 1HG2 ILE 80 1HG2 ILE 80 13.913 9.283 8.357 606 2HG2 ILE 80 2HG2 ILE 80 12.238 9.091 7.822 607 3HG2 ILE 80 3HG2 ILE 80 13.489 8.029 7.182 608 1HD1 ILE 80 1HD1 ILE 80 13.079 7.598 5.077 609 2HD1 ILE 80 2HD1 ILE 80 12.694 8.338 3.520 610 3HD1 ILE 80 3HD1 ILE 80 14.278 8.638 4.248 611 H GLU 81 H GLU 81 13.657 11.631 9.515 612 HA GLU 81 HA GLU 81 16.503 12.582 9.148 613 1HB GLU 81 2HB GLU 81 14.700 13.458 11.388 614 2HB GLU 81 3HB GLU 81 16.361 13.916 11.076 615 1HG GLU 81 2HG GLU 81 15.713 15.008 8.951 616 2HG GLU 81 3HG GLU 81 14.023 14.577 9.222 617 H GLY 82 H GLY 82 17.353 10.596 9.236 618 1HA GLY 82 2HA GLY 82 18.623 9.701 11.303 619 2HA GLY 82 3HA GLY 82 17.071 8.988 11.755 620 H MET 83 H MET 83 18.290 9.101 8.355 621 HA MET 83 HA MET 83 18.042 6.192 8.247 622 1HB MET 83 2HB MET 83 18.219 8.327 6.123 623 2HB MET 83 3HB MET 83 18.071 6.588 5.844 624 1HG MET 83 2HG MET 83 16.058 8.429 7.205 625 2HG MET 83 3HG MET 83 15.884 7.537 5.704 626 1HE MET 83 1HE MET 83 15.604 6.152 9.942 627 2HE MET 83 2HE MET 83 15.479 7.804 9.299 628 3HE MET 83 3HE MET 83 14.048 6.766 9.354 629 H THR 84 H THR 84 20.392 8.369 8.820 630 HA THR 84 HA THR 84 22.475 7.301 7.087 631 HB THR 84 HB THR 84 22.416 9.879 8.713 632 HG1 THR 84 1HG THR 84 21.231 10.625 6.669 633 1HG2 THR 84 1HG2 THR 84 24.490 9.427 7.427 634 2HG2 THR 84 2HG2 THR 84 23.528 9.220 5.943 635 3HG2 THR 84 3HG2 THR 84 23.593 10.799 6.753 636 H CYS 85 H CYS 85 21.756 5.811 9.376 637 HA CYS 85 HA CYS 85 24.021 6.164 11.316 638 1HB CYS 85 2HB CYS 85 21.724 6.194 12.277 639 2HB CYS 85 3HB CYS 85 21.443 4.572 11.603 640 HG CYS 85 HG CYS 85 23.665 3.545 12.767 641 H ALA 86 H ALA 86 22.316 3.839 9.223 642 HA ALA 86 HA ALA 86 24.714 2.345 8.707 643 1HB ALA 86 1HB ALA 86 24.269 1.294 10.866 644 2HB ALA 86 2HB ALA 86 22.574 1.007 10.438 645 3HB ALA 86 3HB ALA 86 23.870 0.152 9.574 646 H ALA 87 H ALA 87 21.234 1.525 8.892 647 HA ALA 87 HA ALA 87 20.756 1.771 6.003 648 1HB ALA 87 1HB ALA 87 20.390 -0.614 5.640 649 2HB ALA 87 2HB ALA 87 22.052 -0.380 6.179 650 3HB ALA 87 3HB ALA 87 20.831 -0.981 7.320 651 H CYS 88 H CYS 88 19.627 3.178 8.153 652 HA CYS 88 HA CYS 88 17.456 1.613 9.267 653 1HB CYS 88 2HB CYS 88 18.165 4.536 9.348 654 2HB CYS 88 3HB CYS 88 16.745 3.867 10.164 655 HG CYS 88 HG CYS 88 18.068 2.215 11.637 656 H ALA 89 H ALA 89 17.866 3.827 6.530 657 HA ALA 89 HA ALA 89 15.208 4.123 5.560 658 1HB ALA 89 1HB ALA 89 17.957 4.044 4.324 659 2HB ALA 89 2HB ALA 89 16.496 4.159 3.318 660 3HB ALA 89 3HB ALA 89 16.836 5.405 4.513 661 H ASN 90 H ASN 90 17.638 1.522 4.937 662 HA ASN 90 HA ASN 90 15.885 0.099 3.205 663 1HB ASN 90 2HB ASN 90 18.387 -0.645 4.727 664 2HB ASN 90 3HB ASN 90 17.418 -1.935 4.020 665 1HD2 ASN 90 1HD2 ASN 90 20.206 -0.664 3.310 666 2HD2 ASN 90 2HD2 ASN 90 20.035 -0.503 1.572 667 H ARG 91 H ARG 91 16.562 -0.218 6.706 668 HA ARG 91 HA ARG 91 14.670 -2.367 7.084 669 1HB ARG 91 2HB ARG 91 15.919 -0.347 8.965 670 2HB ARG 91 3HB ARG 91 14.466 -1.203 9.471 671 1HG ARG 91 2HG ARG 91 15.757 -3.369 8.649 672 2HG ARG 91 3HG ARG 91 17.192 -2.371 8.888 673 1HD ARG 91 2HD ARG 91 14.966 -2.880 10.928 674 2HD ARG 91 3HD ARG 91 16.457 -3.834 10.835 675 HE ARG 91 HE ARG 91 17.454 -1.324 11.069 676 1HH1 ARG 91 2HH2 ARG 91 15.085 -3.130 12.977 677 2HH1 ARG 91 1HH2 ARG 91 15.540 -2.435 14.499 678 1HH2 ARG 91 2HH1 ARG 91 18.130 -0.432 13.111 679 2HH2 ARG 91 1HH1 ARG 91 17.321 -0.884 14.569 680 H ILE 92 H ILE 92 14.131 1.189 7.261 681 HA ILE 92 HA ILE 92 11.368 0.830 7.969 682 HB ILE 92 HB ILE 92 11.036 3.135 7.499 683 1HG1 ILE 92 2HG1 ILE 92 13.810 3.414 6.730 684 2HG1 ILE 92 3HG1 ILE 92 12.517 3.336 5.511 685 1HG2 ILE 92 1HG2 ILE 92 11.901 3.619 9.515 686 2HG2 ILE 92 2HG2 ILE 92 12.689 2.029 9.495 687 3HG2 ILE 92 3HG2 ILE 92 13.568 3.452 8.945 688 1HD1 ILE 92 1HD1 ILE 92 12.650 5.371 7.770 689 2HD1 ILE 92 2HD1 ILE 92 13.061 5.658 6.061 690 3HD1 ILE 92 3HD1 ILE 92 11.395 5.253 6.521 691 H GLU 93 H GLU 93 13.035 0.835 4.825 692 HA GLU 93 HA GLU 93 10.859 1.389 3.148 693 1HB GLU 93 2HB GLU 93 13.261 1.178 2.397 694 2HB GLU 93 3HB GLU 93 13.169 -0.567 2.651 695 1HG GLU 93 2HG GLU 93 11.186 -0.612 1.072 696 2HG GLU 93 3HG GLU 93 11.521 1.081 0.717 697 H LYS 94 H LYS 94 12.166 -1.727 4.303 698 HA LYS 94 HA LYS 94 10.173 -3.416 3.202 699 1HB LYS 94 2HB LYS 94 11.796 -3.726 5.756 700 2HB LYS 94 3HB LYS 94 10.920 -5.038 4.975 701 1HG LYS 94 2HG LYS 94 13.147 -3.439 3.606 702 2HG LYS 94 3HG LYS 94 13.439 -4.880 4.555 703 1HD LYS 94 2HD LYS 94 11.692 -4.781 2.051 704 2HD LYS 94 3HD LYS 94 13.389 -5.264 2.120 705 1HE LYS 94 2HE LYS 94 12.676 -7.045 3.864 706 2HE LYS 94 3HE LYS 94 11.007 -6.699 3.383 707 1HZ LYS 94 1HZ LYS 94 11.907 -8.547 2.188 708 2HZ LYS 94 2HZ LYS 94 11.620 -7.318 1.131 709 3HZ LYS 94 3HZ LYS 94 13.159 -7.656 1.612 710 H ARG 95 H ARG 95 10.066 -1.394 6.075 711 HA ARG 95 HA ARG 95 7.580 -2.677 7.055 712 1HB ARG 95 2HB ARG 95 9.331 -0.405 7.961 713 2HB ARG 95 3HB ARG 95 7.663 -0.461 8.523 714 1HG ARG 95 2HG ARG 95 9.314 -2.991 8.625 715 2HG ARG 95 3HG ARG 95 9.599 -1.751 9.843 716 1HD ARG 95 2HD ARG 95 7.388 -1.788 10.654 717 2HD ARG 95 3HD ARG 95 6.778 -2.706 9.260 718 HE ARG 95 HE ARG 95 8.677 -4.366 10.376 719 1HH1 ARG 95 2HH2 ARG 95 5.745 -2.797 11.550 720 2HH1 ARG 95 1HH2 ARG 95 5.243 -4.108 12.566 721 1HH2 ARG 95 2HH1 ARG 95 8.011 -6.173 11.666 722 2HH2 ARG 95 1HH1 ARG 95 6.575 -6.078 12.630 723 H LEU 96 H LEU 96 8.315 0.622 5.961 724 HA LEU 96 HA LEU 96 5.817 1.687 5.606 725 1HB LEU 96 2HB LEU 96 8.390 2.149 4.201 726 2HB LEU 96 3HB LEU 96 6.918 3.024 3.751 727 HG LEU 96 HG LEU 96 7.605 2.874 6.686 728 1HD1 LEU 96 1HD1 LEU 96 8.777 4.855 4.722 729 2HD1 LEU 96 2HD1 LEU 96 8.926 4.903 6.497 730 3HD1 LEU 96 3HD1 LEU 96 9.665 3.572 5.574 731 1HD2 LEU 96 1HD2 LEU 96 5.411 3.867 5.906 732 2HD2 LEU 96 2HD2 LEU 96 6.454 5.057 6.699 733 3HD2 LEU 96 3HD2 LEU 96 6.322 5.033 4.931 734 H ASN 97 H ASN 97 7.642 -0.374 3.382 735 HA ASN 97 HA ASN 97 6.461 -0.627 1.036 736 1HB ASN 97 2HB ASN 97 8.128 -2.253 2.146 737 2HB ASN 97 3HB ASN 97 6.727 -3.101 2.788 738 1HD2 ASN 97 1HD2 ASN 97 8.452 -2.036 -0.124 739 2HD2 ASN 97 2HD2 ASN 97 7.771 -3.226 -1.207 740 H LYS 98 H LYS 98 4.988 -1.927 4.017 741 HA LYS 98 HA LYS 98 2.316 -1.553 2.968 742 1HB LYS 98 2HB LYS 98 1.509 -3.802 2.796 743 2HB LYS 98 3HB LYS 98 2.722 -3.406 1.620 744 1HG LYS 98 2HG LYS 98 3.479 -5.432 2.094 745 2HG LYS 98 3HG LYS 98 4.434 -4.549 3.265 746 1HD LYS 98 2HD LYS 98 3.472 -6.699 4.057 747 2HD LYS 98 3HD LYS 98 3.068 -5.364 5.104 748 1HE LYS 98 2HE LYS 98 1.093 -6.097 2.909 749 2HE LYS 98 3HE LYS 98 1.271 -7.219 4.261 750 1HZ LYS 98 1HZ LYS 98 0.685 -4.402 4.745 751 2HZ LYS 98 2HZ LYS 98 -0.488 -5.601 4.525 752 3HZ LYS 98 3HZ LYS 98 0.580 -5.659 5.773 753 H ILE 99 H ILE 99 3.348 -0.488 5.219 754 HA ILE 99 HA ILE 99 2.919 -1.710 7.683 755 HB ILE 99 HB ILE 99 2.280 1.071 6.673 756 1HG1 ILE 99 2HG1 ILE 99 4.644 0.382 6.926 757 2HG1 ILE 99 3HG1 ILE 99 4.186 1.778 7.901 758 1HG2 ILE 99 1HG2 ILE 99 2.070 1.791 9.087 759 2HG2 ILE 99 2HG2 ILE 99 0.681 0.947 8.426 760 3HG2 ILE 99 3HG2 ILE 99 1.794 0.084 9.501 761 1HD1 ILE 99 1HD1 ILE 99 5.638 0.383 9.202 762 2HD1 ILE 99 2HD1 ILE 99 4.031 0.253 9.913 763 3HD1 ILE 99 3HD1 ILE 99 4.667 -1.065 8.899 764 H GLU 100 H GLU 100 0.324 0.086 6.073 765 HA GLU 100 HA GLU 100 -1.561 -2.157 6.544 766 1HB GLU 100 2HB GLU 100 -1.876 0.731 7.427 767 2HB GLU 100 3HB GLU 100 -3.296 -0.293 7.093 768 1HG GLU 100 2HG GLU 100 -2.591 -1.927 8.742 769 2HG GLU 100 3HG GLU 100 -1.099 -1.031 9.072 770 H GLY 101 H GLY 101 -2.934 0.740 5.275 771 1HA GLY 101 2HA GLY 101 -3.120 -0.550 2.682 772 2HA GLY 101 3HA GLY 101 -3.909 0.953 3.210 773 H VAL 102 H VAL 102 -0.565 -0.215 2.839 774 HA VAL 102 HA VAL 102 0.117 2.154 1.150 775 HB VAL 102 HB VAL 102 2.138 0.469 2.611 776 1HG1 VAL 102 1HG1 VAL 102 3.150 2.996 2.330 777 2HG1 VAL 102 2HG1 VAL 102 3.448 1.637 1.234 778 3HG1 VAL 102 3HG1 VAL 102 2.209 2.827 0.845 779 1HG2 VAL 102 1HG2 VAL 102 0.767 2.950 3.670 780 2HG2 VAL 102 2HG2 VAL 102 0.716 1.320 4.359 781 3HG2 VAL 102 3HG2 VAL 102 2.240 2.213 4.338 782 H ALA 103 H ALA 103 0.347 1.759 -0.934 783 HA ALA 103 HA ALA 103 0.239 -0.990 -1.923 784 1HB ALA 103 1HB ALA 103 0.488 1.677 -3.335 785 2HB ALA 103 2HB ALA 103 0.194 0.114 -4.126 786 3HB ALA 103 3HB ALA 103 -1.022 0.820 -3.038 787 H ASN 104 H ASN 104 2.487 1.823 -1.852 788 HA ASN 104 HA ASN 104 4.800 0.019 -2.124 789 1HB ASN 104 2HB ASN 104 4.425 2.285 -4.150 790 2HB ASN 104 3HB ASN 104 5.803 1.207 -3.994 791 1HD2 ASN 104 1HD2 ASN 104 2.449 1.522 -5.238 792 2HD2 ASN 104 2HD2 ASN 104 2.463 -0.063 -5.953 793 H ALA 105 H ALA 105 6.816 1.271 -1.899 794 HA ALA 105 HA ALA 105 6.713 3.909 -0.734 795 1HB ALA 105 1HB ALA 105 7.552 2.871 1.610 796 2HB ALA 105 2HB ALA 105 5.868 3.256 1.245 797 3HB ALA 105 3HB ALA 105 6.444 1.595 1.085 798 HA PRO 106 HA PRO 106 10.959 2.496 -2.015 799 1HB PRO 106 2HB PRO 106 11.423 4.223 -4.077 800 2HB PRO 106 3HB PRO 106 10.534 2.684 -4.277 801 1HG PRO 106 2HG PRO 106 9.375 5.448 -3.873 802 2HG PRO 106 3HG PRO 106 8.924 4.258 -5.127 803 1HD PRO 106 2HD PRO 106 7.482 4.507 -2.835 804 2HD PRO 106 3HD PRO 106 7.782 2.903 -3.553 805 H VAL 107 H VAL 107 12.621 3.348 -0.884 806 HA VAL 107 HA VAL 107 12.500 6.146 0.083 807 HB VAL 107 HB VAL 107 14.067 5.510 1.762 808 1HG1 VAL 107 1HG1 VAL 107 12.791 3.973 3.075 809 2HG1 VAL 107 2HG1 VAL 107 11.628 4.853 2.077 810 3HG1 VAL 107 3HG1 VAL 107 12.083 3.206 1.640 811 1HG2 VAL 107 1HG2 VAL 107 14.256 2.803 0.375 812 2HG2 VAL 107 2HG2 VAL 107 15.566 3.976 0.620 813 3HG2 VAL 107 3HG2 VAL 107 14.859 3.130 2.003 814 H ASN 108 H ASN 108 14.320 7.564 -0.224 815 HA ASN 108 HA ASN 108 16.223 6.755 -2.398 816 1HB ASN 108 2HB ASN 108 15.135 9.454 -1.524 817 2HB ASN 108 3HB ASN 108 16.548 9.236 -2.564 818 1HD2 ASN 108 1HD2 ASN 108 15.349 10.521 -4.195 819 2HD2 ASN 108 2HD2 ASN 108 14.191 9.667 -5.199 820 H PHE 109 H PHE 109 18.361 6.939 -1.985 821 HA PHE 109 HA PHE 109 19.216 7.643 0.764 822 1HB PHE 109 2HB PHE 109 19.985 5.629 -1.117 823 2HB PHE 109 3HB PHE 109 21.355 6.714 -0.967 824 HD1 PHE 109 1HD PHE 109 19.297 4.196 0.688 825 HD2 PHE 109 2HD PHE 109 22.231 7.282 1.370 826 HE1 PHE 109 1HE PHE 109 19.651 3.350 2.960 827 HE2 PHE 109 2HE PHE 109 22.517 6.493 3.685 828 HZ PHE 109 HZ PHE 109 21.274 4.494 4.499 829 H ALA 110 H ALA 110 18.850 9.319 -2.106 830 HA ALA 110 HA ALA 110 21.415 10.813 -1.936 831 1HB ALA 110 1HB ALA 110 20.618 11.907 -3.979 832 2HB ALA 110 2HB ALA 110 20.603 10.141 -4.152 833 3HB ALA 110 3HB ALA 110 19.081 11.023 -3.883 834 H LEU 111 H LEU 111 17.917 11.203 -1.522 835 HA LEU 111 HA LEU 111 18.228 14.042 -0.722 836 1HB LEU 111 2HB LEU 111 15.691 12.480 -1.160 837 2HB LEU 111 3HB LEU 111 15.913 14.237 -1.186 838 HG LEU 111 HG LEU 111 16.777 12.175 -3.256 839 1HD1 LEU 111 1HD1 LEU 111 14.386 12.815 -3.237 840 2HD1 LEU 111 2HD1 LEU 111 14.841 14.523 -3.394 841 3HD1 LEU 111 3HD1 LEU 111 15.203 13.383 -4.704 842 1HD2 LEU 111 1HD2 LEU 111 17.552 14.133 -4.623 843 2HD2 LEU 111 2HD2 LEU 111 17.290 15.199 -3.226 844 3HD2 LEU 111 3HD2 LEU 111 18.536 13.937 -3.170 845 H GLU 112 H GLU 112 17.895 10.939 0.752 846 HA GLU 112 HA GLU 112 17.132 10.135 2.703 847 1HB GLU 112 2HB GLU 112 17.718 12.966 3.662 848 2HB GLU 112 3HB GLU 112 17.300 11.632 4.731 849 1HG GLU 112 2HG GLU 112 19.269 10.391 4.164 850 2HG GLU 112 3HG GLU 112 19.622 11.415 2.765 851 H THR 113 H THR 113 15.231 10.566 0.862 852 HA THR 113 HA THR 113 12.840 11.434 2.417 853 HB THR 113 HB THR 113 11.818 12.198 0.352 854 HG1 THR 113 1HG THR 113 12.922 10.886 -1.135 855 1HG2 THR 113 1HG2 THR 113 13.154 14.207 -0.049 856 2HG2 THR 113 2HG2 THR 113 13.204 13.823 1.685 857 3HG2 THR 113 3HG2 THR 113 14.578 13.431 0.646 858 H VAL 114 H VAL 114 10.881 10.310 1.832 859 HA VAL 114 HA VAL 114 11.199 7.825 0.257 860 HB VAL 114 HB VAL 114 11.280 7.004 2.495 861 1HG1 VAL 114 1HG1 VAL 114 10.260 9.029 3.664 862 2HG1 VAL 114 2HG1 VAL 114 8.675 8.404 3.173 863 3HG1 VAL 114 3HG1 VAL 114 9.711 7.449 4.244 864 1HG2 VAL 114 1HG2 VAL 114 8.391 6.646 1.588 865 2HG2 VAL 114 2HG2 VAL 114 9.771 5.796 0.871 866 3HG2 VAL 114 3HG2 VAL 114 9.359 5.542 2.570 867 H THR 115 H THR 115 9.678 7.569 -1.259 868 HA THR 115 HA THR 115 7.369 9.421 -1.266 869 HB THR 115 HB THR 115 8.078 7.194 -3.212 870 HG1 THR 115 1HG THR 115 8.849 9.923 -3.180 871 1HG2 THR 115 1HG2 THR 115 5.758 8.076 -3.298 872 2HG2 THR 115 2HG2 THR 115 6.405 9.726 -3.434 873 3HG2 THR 115 3HG2 THR 115 6.701 8.545 -4.733 874 H VAL 116 H VAL 116 5.535 8.685 -0.239 875 HA VAL 116 HA VAL 116 5.272 5.766 0.392 876 HB VAL 116 HB VAL 116 5.408 7.252 2.337 877 1HG1 VAL 116 1HG1 VAL 116 2.748 8.448 1.493 878 2HG1 VAL 116 2HG1 VAL 116 3.689 8.805 2.937 879 3HG1 VAL 116 3HG1 VAL 116 4.299 9.278 1.345 880 1HG2 VAL 116 1HG2 VAL 116 3.318 6.418 3.429 881 2HG2 VAL 116 2HG2 VAL 116 2.765 5.857 1.843 882 3HG2 VAL 116 3HG2 VAL 116 4.235 5.171 2.565 883 H GLU 117 H GLU 117 3.902 4.708 -0.990 884 HA GLU 117 HA GLU 117 1.887 6.315 -2.472 885 1HB GLU 117 2HB GLU 117 3.823 5.073 -3.640 886 2HB GLU 117 3HB GLU 117 2.947 3.591 -3.240 887 1HG GLU 117 2HG GLU 117 1.545 5.839 -4.719 888 2HG GLU 117 3HG GLU 117 2.663 4.770 -5.576 889 H TYR 118 H TYR 118 0.346 6.304 -0.852 890 HA TYR 118 HA TYR 118 -0.755 3.685 -0.056 891 1HB TYR 118 2HB TYR 118 -0.594 4.017 2.229 892 2HB TYR 118 3HB TYR 118 0.987 4.548 1.697 893 HD1 TYR 118 HD1 TYR 118 -1.606 5.207 3.901 894 HD2 TYR 118 HD2 TYR 118 0.829 7.300 1.027 895 HE1 TYR 118 HE1 TYR 118 -1.894 7.305 5.175 896 HE2 TYR 118 HE2 TYR 118 0.529 9.394 2.289 897 HH TYR 118 HH TYR 118 -0.395 10.381 4.152 898 H ASN 119 H ASN 119 -2.724 3.925 1.251 899 HA ASN 119 HA ASN 119 -4.461 5.653 -0.386 900 1HB ASN 119 2HB ASN 119 -4.596 3.100 -0.059 901 2HB ASN 119 3HB ASN 119 -5.293 3.445 1.501 902 1HD2 ASN 119 1HD2 ASN 119 -5.819 3.230 -1.927 903 2HD2 ASN 119 2HD2 ASN 119 -7.532 3.537 -1.877 904 HA PRO 120 HA PRO 120 -4.245 8.097 3.450 905 1HB PRO 120 2HB PRO 120 -5.094 10.514 2.600 906 2HB PRO 120 3HB PRO 120 -3.544 9.822 2.045 907 1HG PRO 120 2HG PRO 120 -6.222 9.621 0.635 908 2HG PRO 120 3HG PRO 120 -4.699 10.275 -0.029 909 1HD PRO 120 2HD PRO 120 -5.419 7.703 -0.438 910 2HD PRO 120 3HD PRO 120 -3.715 8.120 -0.094 911 H LYS 121 H LYS 121 -6.748 6.502 2.242 912 HA LYS 121 HA LYS 121 -8.832 7.799 3.974 913 1HB LYS 121 2HB LYS 121 -9.197 5.582 1.948 914 2HB LYS 121 3HB LYS 121 -10.442 6.538 2.758 915 1HG LYS 121 2HG LYS 121 -8.427 7.525 0.687 916 2HG LYS 121 3HG LYS 121 -10.151 7.240 0.448 917 1HD LYS 121 2HD LYS 121 -10.632 8.948 2.257 918 2HD LYS 121 3HD LYS 121 -8.923 9.387 2.245 919 1HE LYS 121 2HE LYS 121 -10.852 9.535 -0.132 920 2HE LYS 121 3HE LYS 121 -10.327 10.908 0.851 921 1HZ LYS 121 1HZ LYS 121 -8.534 9.236 -0.786 922 2HZ LYS 121 2HZ LYS 121 -9.081 10.726 -1.198 923 3HZ LYS 121 3HZ LYS 121 -8.087 10.550 0.095 924 H GLU 122 H GLU 122 -6.771 4.979 3.507 925 HA GLU 122 HA GLU 122 -8.113 3.359 5.568 926 1HB GLU 122 2HB GLU 122 -6.182 2.943 3.450 927 2HB GLU 122 3HB GLU 122 -5.426 2.472 4.969 928 1HG GLU 122 2HG GLU 122 -8.170 1.442 4.102 929 2HG GLU 122 3HG GLU 122 -6.640 0.679 3.687 930 H ALA 123 H ALA 123 -5.109 5.244 5.097 931 HA ALA 123 HA ALA 123 -4.806 5.543 8.058 932 1HB ALA 123 1HB ALA 123 -3.302 3.735 7.286 933 2HB ALA 123 2HB ALA 123 -2.602 4.831 6.077 934 3HB ALA 123 3HB ALA 123 -2.389 5.155 7.807 935 H SER 124 H SER 124 -2.834 7.253 8.284 936 HA SER 124 HA SER 124 -3.023 9.446 6.338 937 1HB SER 124 2HB SER 124 -3.923 9.726 9.248 938 2HB SER 124 3HB SER 124 -3.690 11.072 8.112 939 HG SER 124 HG SER 124 -5.882 10.409 8.207 940 H VAL 125 H VAL 125 -1.486 11.301 7.209 941 HA VAL 125 HA VAL 125 1.043 10.414 7.571 942 HB VAL 125 HB VAL 125 1.556 12.608 8.091 943 1HG1 VAL 125 1HG1 VAL 125 0.416 12.067 5.810 944 2HG1 VAL 125 2HG1 VAL 125 -0.961 12.997 6.415 945 3HG1 VAL 125 3HG1 VAL 125 0.600 13.784 6.230 946 1HG2 VAL 125 1HG2 VAL 125 -0.128 14.408 8.615 947 2HG2 VAL 125 2HG2 VAL 125 -1.328 13.135 8.900 948 3HG2 VAL 125 3HG2 VAL 125 0.119 13.258 9.929 949 H SER 126 H SER 126 -1.269 11.145 10.236 950 HA SER 126 HA SER 126 0.405 10.926 12.398 951 1HB SER 126 2HB SER 126 -2.372 9.710 12.299 952 2HB SER 126 3HB SER 126 -1.586 10.599 13.620 953 HG SER 126 HG SER 126 -3.029 11.973 12.509 954 H ASP 127 H ASP 127 -0.844 8.329 10.320 955 HA ASP 127 HA ASP 127 -0.172 6.128 12.153 956 1HB ASP 127 2HB ASP 127 -1.876 5.593 10.556 957 2HB ASP 127 3HB ASP 127 -0.923 6.249 9.209 958 H LEU 128 H LEU 128 1.188 7.685 9.282 959 HA LEU 128 HA LEU 128 3.507 6.052 8.974 960 1HB LEU 128 2HB LEU 128 3.063 8.965 8.276 961 2HB LEU 128 3HB LEU 128 4.439 8.020 7.749 962 HG LEU 128 HG LEU 128 1.534 7.366 7.103 963 1HD1 LEU 128 1HD1 LEU 128 2.356 9.433 6.016 964 2HD1 LEU 128 2HD1 LEU 128 3.772 8.549 5.420 965 3HD1 LEU 128 3HD1 LEU 128 2.142 8.132 4.833 966 1HD2 LEU 128 1HD2 LEU 128 2.955 5.305 7.055 967 2HD2 LEU 128 2HD2 LEU 128 2.469 5.794 5.445 968 3HD2 LEU 128 3HD2 LEU 128 4.115 6.155 6.009 969 H LYS 129 H LYS 129 2.948 9.040 10.797 970 HA LYS 129 HA LYS 129 5.523 9.290 11.984 971 1HB LYS 129 2HB LYS 129 2.798 10.088 13.042 972 2HB LYS 129 3HB LYS 129 4.340 10.615 13.708 973 1HG LYS 129 2HG LYS 129 4.118 11.027 10.758 974 2HG LYS 129 3HG LYS 129 2.889 11.894 11.694 975 1HD LYS 129 2HD LYS 129 4.647 12.926 13.069 976 2HD LYS 129 3HD LYS 129 5.889 11.994 12.194 977 1HE LYS 129 2HE LYS 129 5.106 13.116 10.047 978 2HE LYS 129 3HE LYS 129 4.013 14.115 11.024 979 1HZ LYS 129 1HZ LYS 129 6.013 14.909 12.194 980 2HZ LYS 129 2HZ LYS 129 6.960 14.054 11.140 981 3HZ LYS 129 3HZ LYS 129 6.017 15.278 10.588 982 H GLU 130 H GLU 130 2.529 7.628 13.244 983 HA GLU 130 HA GLU 130 3.756 6.712 15.613 984 1HB GLU 130 2HB GLU 130 1.253 6.683 14.649 985 2HB GLU 130 3HB GLU 130 1.648 5.006 14.274 986 1HG GLU 130 2HG GLU 130 2.022 6.292 17.039 987 2HG GLU 130 3HG GLU 130 0.504 5.582 16.489 988 H ALA 131 H ALA 131 3.643 5.242 12.385 989 HA ALA 131 HA ALA 131 4.777 2.722 13.041 990 1HB ALA 131 1HB ALA 131 3.518 3.164 10.971 991 2HB ALA 131 2HB ALA 131 4.789 4.267 10.409 992 3HB ALA 131 3HB ALA 131 5.143 2.541 10.608 993 H VAL 132 H VAL 132 6.292 5.787 11.763 994 HA VAL 132 HA VAL 132 8.837 4.488 11.662 995 HB VAL 132 HB VAL 132 8.025 6.341 10.197 996 1HG1 VAL 132 1HG1 VAL 132 7.245 7.859 11.969 997 2HG1 VAL 132 2HG1 VAL 132 8.903 8.098 12.550 998 3HG1 VAL 132 3HG1 VAL 132 8.411 8.668 10.957 999 1HG2 VAL 132 1HG2 VAL 132 10.739 6.931 11.387 1000 2HG2 VAL 132 2HG2 VAL 132 10.434 5.441 10.465 1001 3HG2 VAL 132 3HG2 VAL 132 10.235 6.997 9.684 1002 H ASP 133 H ASP 133 7.136 6.503 14.075 1003 HA ASP 133 HA ASP 133 9.252 6.800 15.883 1004 1HB ASP 133 2HB ASP 133 6.237 6.756 16.065 1005 2HB ASP 133 3HB ASP 133 7.176 6.599 17.534 1006 H LYS 134 H LYS 134 6.848 4.122 15.493 1007 HA LYS 134 HA LYS 134 8.064 2.379 17.388 1008 1HB LYS 134 2HB LYS 134 6.105 2.122 15.179 1009 2HB LYS 134 3HB LYS 134 7.022 0.644 15.482 1010 1HG LYS 134 2HG LYS 134 6.309 0.484 17.722 1011 2HG LYS 134 3HG LYS 134 5.874 2.209 17.795 1012 1HD LYS 134 2HD LYS 134 4.028 1.875 16.261 1013 2HD LYS 134 3HD LYS 134 4.337 0.129 16.184 1014 1HE LYS 134 2HE LYS 134 3.583 -0.234 18.391 1015 2HE LYS 134 3HE LYS 134 4.041 1.397 18.919 1016 1HZ LYS 134 1HZ LYS 134 1.658 1.202 18.777 1017 2HZ LYS 134 2HZ LYS 134 2.287 2.332 17.787 1018 3HZ LYS 134 3HZ LYS 134 1.756 0.971 17.128 1019 H LEU 135 H LEU 135 8.942 2.855 13.944 1020 HA LEU 135 HA LEU 135 11.077 0.894 14.076 1021 1HB LEU 135 2HB LEU 135 10.497 3.228 12.240 1022 2HB LEU 135 3HB LEU 135 12.062 2.464 12.222 1023 HG LEU 135 HG LEU 135 10.727 1.569 10.475 1024 1HD1 LEU 135 1HD1 LEU 135 11.314 -0.678 10.743 1025 2HD1 LEU 135 2HD1 LEU 135 12.416 0.160 11.834 1026 3HD1 LEU 135 3HD1 LEU 135 10.989 -0.680 12.484 1027 1HD2 LEU 135 1HD2 LEU 135 8.761 0.186 10.836 1028 2HD2 LEU 135 2HD2 LEU 135 8.767 0.582 12.566 1029 3HD2 LEU 135 3HD2 LEU 135 8.507 1.853 11.342 1030 H GLY 136 H GLY 136 10.822 4.171 15.273 1031 1HA GLY 136 2HA GLY 136 12.112 4.939 17.060 1032 2HA GLY 136 3HA GLY 136 13.422 3.832 16.650 1033 H TYR 137 H TYR 137 11.734 6.012 14.353 1034 HA TYR 137 HA TYR 137 14.005 7.919 14.387 1035 1HB TYR 137 2HB TYR 137 12.946 6.962 11.734 1036 2HB TYR 137 3HB TYR 137 14.436 7.824 12.085 1037 HD1 TYR 137 HD1 TYR 137 12.992 4.677 11.320 1038 HD2 TYR 137 HD2 TYR 137 16.201 6.449 13.580 1039 HE1 TYR 137 HE1 TYR 137 14.158 2.487 11.398 1040 HE2 TYR 137 HE2 TYR 137 17.268 4.223 13.802 1041 HH TYR 137 HH TYR 137 15.655 1.285 12.608 1042 H LYS 138 H LYS 138 12.995 9.603 12.258 1043 HA LYS 138 HA LYS 138 10.174 10.074 13.070 1044 1HB LYS 138 2HB LYS 138 10.528 12.376 13.545 1045 2HB LYS 138 3HB LYS 138 11.738 11.489 14.468 1046 1HG LYS 138 2HG LYS 138 13.051 13.129 13.606 1047 2HG LYS 138 3HG LYS 138 13.274 11.911 12.377 1048 1HD LYS 138 2HD LYS 138 12.466 13.327 10.805 1049 2HD LYS 138 3HD LYS 138 10.910 13.437 11.612 1050 1HE LYS 138 2HE LYS 138 13.361 15.056 12.390 1051 2HE LYS 138 3HE LYS 138 12.100 15.615 11.262 1052 1HZ LYS 138 1HZ LYS 138 11.731 14.955 14.095 1053 2HZ LYS 138 2HZ LYS 138 11.828 16.462 13.437 1054 3HZ LYS 138 3HZ LYS 138 10.551 15.484 13.067 1055 H LEU 139 H LEU 139 8.938 10.977 11.484 1056 HA LEU 139 HA LEU 139 10.206 11.354 8.821 1057 1HB LEU 139 2HB LEU 139 7.409 10.512 9.603 1058 2HB LEU 139 3HB LEU 139 7.764 11.173 8.003 1059 HG LEU 139 HG LEU 139 9.351 8.859 9.078 1060 1HD1 LEU 139 1HD1 LEU 139 7.817 7.359 7.858 1061 2HD1 LEU 139 2HD1 LEU 139 6.930 8.261 9.107 1062 3HD1 LEU 139 3HD1 LEU 139 6.811 8.758 7.407 1063 1HD2 LEU 139 1HD2 LEU 139 8.718 9.620 6.214 1064 2HD2 LEU 139 2HD2 LEU 139 10.207 10.080 7.060 1065 3HD2 LEU 139 3HD2 LEU 139 9.833 8.367 6.787 1066 H LYS 140 H LYS 140 9.592 13.049 7.618 1067 HA LYS 140 HA LYS 140 8.238 15.415 8.802 1068 1HB LYS 140 2HB LYS 140 10.940 15.036 7.544 1069 2HB LYS 140 3HB LYS 140 9.995 16.364 6.894 1070 1HG LYS 140 2HG LYS 140 10.228 16.125 9.883 1071 2HG LYS 140 3HG LYS 140 11.647 16.660 8.966 1072 1HD LYS 140 2HD LYS 140 8.933 17.937 8.511 1073 2HD LYS 140 3HD LYS 140 10.015 18.503 9.799 1074 1HE LYS 140 2HE LYS 140 11.719 19.171 8.322 1075 2HE LYS 140 3HE LYS 140 11.134 18.199 6.982 1076 1HZ LYS 140 1HZ LYS 140 9.288 19.639 6.708 1077 2HZ LYS 140 2HZ LYS 140 9.743 20.575 7.997 1078 3HZ LYS 140 3HZ LYS 140 10.688 20.494 6.651 1079 H LEU 141 H LEU 141 7.404 16.774 7.008 1080 HA LEU 141 HA LEU 141 6.333 15.130 4.752 1081 1HB LEU 141 2HB LEU 141 5.308 17.711 6.023 1082 2HB LEU 141 3HB LEU 141 4.589 16.825 4.695 1083 HG LEU 141 HG LEU 141 4.830 14.848 6.662 1084 1HD1 LEU 141 1HD1 LEU 141 3.896 15.811 8.720 1085 2HD1 LEU 141 2HD1 LEU 141 5.448 16.589 8.350 1086 3HD1 LEU 141 3HD1 LEU 141 3.924 17.434 8.003 1087 1HD2 LEU 141 1HD2 LEU 141 2.889 15.157 5.217 1088 2HD2 LEU 141 2HD2 LEU 141 2.389 15.086 6.916 1089 3HD2 LEU 141 3HD2 LEU 141 2.447 16.650 6.072 1090 H LYS 142 H LYS 142 6.905 15.849 2.654 1091 HA LYS 142 HA LYS 142 8.750 18.171 2.483 1092 1HB LYS 142 2HB LYS 142 7.613 16.298 0.388 1093 2HB LYS 142 3HB LYS 142 8.688 17.665 0.072 1094 1HG LYS 142 2HG LYS 142 10.373 16.591 1.706 1095 2HG LYS 142 3HG LYS 142 9.292 15.184 1.721 1096 1HD LYS 142 2HD LYS 142 10.752 14.588 -0.010 1097 2HD LYS 142 3HD LYS 142 9.401 15.373 -0.847 1098 1HE LYS 142 2HE LYS 142 10.682 17.509 -0.927 1099 2HE LYS 142 3HE LYS 142 12.101 16.629 -0.338 1100 1HZ LYS 142 1HZ LYS 142 12.044 15.298 -2.286 1101 2HZ LYS 142 2HZ LYS 142 10.549 15.745 -2.697 1102 3HZ LYS 142 3HZ LYS 142 11.791 16.834 -2.839 1103 H GLY 143 H GLY 143 7.067 19.540 3.487 1104 1HA GLY 143 2HA GLY 143 5.802 21.465 3.095 1105 2HA GLY 143 3HA GLY 143 5.688 21.039 1.381 1106 H GLU 144 H GLU 144 4.385 18.934 0.999 1107 HA GLU 144 HA GLU 144 2.193 18.277 0.705 1108 1HB GLU 144 2HB GLU 144 2.587 17.877 3.686 1109 2HB GLU 144 3HB GLU 144 1.198 17.258 2.798 1110 1HG GLU 144 2HG GLU 144 3.692 16.551 1.397 1111 2HG GLU 144 3HG GLU 144 3.702 15.950 3.043 1112 H GLN 145 H GLN 145 2.346 20.859 0.501 1113 HA GLN 145 HA GLN 145 -0.304 21.824 1.027 1114 1HB GLN 145 2HB GLN 145 1.837 22.527 2.939 1115 2HB GLN 145 3HB GLN 145 1.199 23.965 2.157 1116 1HG GLN 145 2HG GLN 145 -0.609 21.903 3.479 1117 2HG GLN 145 3HG GLN 145 0.104 23.281 4.321 1118 1HE2 GLN 145 1HE2 GLN 145 -1.725 24.544 4.737 1119 2HE2 GLN 145 2HE2 GLN 145 -2.750 25.161 3.450 1120 H ASP 146 H ASP 146 3.097 22.684 0.239 1121 HA ASP 146 HA ASP 146 2.443 25.017 -1.158 1122 1HB ASP 146 2HB ASP 146 5.052 23.480 -1.383 1123 2HB ASP 146 3HB ASP 146 4.777 25.219 -1.434 1124 H SER 147 H SER 147 0.972 22.963 -2.419 1125 HA SER 147 HA SER 147 0.617 21.684 -4.273 1126 1HB SER 147 2HB SER 147 1.865 24.096 -5.646 1127 2HB SER 147 3HB SER 147 0.753 22.923 -6.374 1128 HG SER 147 HG SER 147 0.154 24.518 -4.090 1129 H ILE 148 H ILE 148 2.885 20.761 -3.005 1130 HA ILE 148 HA ILE 148 5.130 20.510 -4.720 1131 HB ILE 148 HB ILE 148 5.810 18.754 -3.170 1132 1HG1 ILE 148 2HG1 ILE 148 3.788 19.070 -1.119 1133 2HG1 ILE 148 3HG1 ILE 148 3.007 18.458 -2.573 1134 1HG2 ILE 148 1HG2 ILE 148 6.154 21.180 -2.721 1135 2HG2 ILE 148 2HG2 ILE 148 4.679 21.181 -1.732 1136 3HG2 ILE 148 3HG2 ILE 148 6.074 20.202 -1.255 1137 1HD1 ILE 148 1HD1 ILE 148 3.806 16.654 -1.065 1138 2HD1 ILE 148 2HD1 ILE 148 4.551 16.552 -2.665 1139 3HD1 ILE 148 3HD1 ILE 148 5.478 17.196 -1.306 1140 H GLU 149 H GLU 149 3.736 20.081 -6.742 1141 HA GLU 149 HA GLU 149 4.218 17.315 -7.451 1142 1HB GLU 149 2HB GLU 149 1.902 17.339 -6.408 1143 2HB GLU 149 3HB GLU 149 1.369 18.401 -7.712 1144 1HG GLU 149 2HG GLU 149 1.811 16.605 -9.359 1145 2HG GLU 149 3HG GLU 149 2.578 15.611 -8.096 1146 H GLY 150 H GLY 150 3.679 17.123 -9.889 1147 1HA GLY 150 2HA GLY 150 4.757 19.538 -11.241 1148 2HA GLY 150 3HA GLY 150 4.671 17.892 -11.867 1149 H ARG 151 H ARG 151 1.762 19.256 -10.391 1150 HA ARG 151 HA ARG 151 0.535 19.640 -13.071 1151 1HB ARG 151 2HB ARG 151 -1.514 18.739 -12.273 1152 2HB ARG 151 3HB ARG 151 -0.259 17.524 -11.978 1153 1HG ARG 151 2HG ARG 151 -0.151 18.346 -9.578 1154 2HG ARG 151 3HG ARG 151 -1.515 19.418 -9.937 1155 1HD ARG 151 2HD ARG 151 -2.890 17.432 -10.554 1156 2HD ARG 151 3HD ARG 151 -1.522 16.389 -10.145 1157 HE ARG 151 HE ARG 151 -2.520 18.305 -8.104 1158 1HH1 ARG 151 2HH2 ARG 151 -1.687 14.974 -8.651 1159 2HH1 ARG 151 1HH2 ARG 151 -2.803 14.295 -7.538 1160 1HH2 ARG 151 2HH1 ARG 151 -3.498 17.492 -6.200 1161 2HH2 ARG 151 1HH1 ARG 151 -3.521 15.789 -5.890 Start of MODEL 11 1 1H MET 1 H1 MET 1 -1.002 -26.071 7.404 2 2H MET 1 H2 MET 1 -1.140 -27.607 8.004 3 3H MET 1 H3 MET 1 -0.849 -26.337 9.019 4 HA MET 1 HA MET 1 1.131 -27.575 8.735 5 1HB MET 1 2HB MET 1 0.620 -27.000 5.787 6 2HB MET 1 3HB MET 1 2.237 -27.333 6.428 7 1HG MET 1 2HG MET 1 1.454 -29.482 7.351 8 2HG MET 1 3HG MET 1 -0.131 -29.225 6.594 9 1HE MET 1 1HE MET 1 1.613 -32.104 4.523 10 2HE MET 1 2HE MET 1 1.828 -31.786 6.258 11 3HE MET 1 3HE MET 1 0.206 -31.676 5.524 12 H LEU 2 H LEU 2 1.193 -24.947 6.263 13 HA LEU 2 HA LEU 2 2.164 -22.999 8.203 14 1HB LEU 2 2HB LEU 2 4.288 -22.683 6.996 15 2HB LEU 2 3HB LEU 2 4.162 -24.293 7.695 16 HG LEU 2 HG LEU 2 3.218 -24.876 5.205 17 1HD1 LEU 2 1HD1 LEU 2 4.469 -23.690 3.498 18 2HD1 LEU 2 2HD1 LEU 2 3.522 -22.496 4.387 19 3HD1 LEU 2 3HD1 LEU 2 5.256 -22.661 4.709 20 1HD2 LEU 2 1HD2 LEU 2 6.149 -24.638 5.976 21 2HD2 LEU 2 2HD2 LEU 2 5.071 -26.006 6.335 22 3HD2 LEU 2 3HD2 LEU 2 5.492 -25.629 4.656 23 H SER 3 H SER 3 2.220 -20.881 7.224 24 HA SER 3 HA SER 3 1.491 -20.175 4.594 25 1HB SER 3 2HB SER 3 -0.879 -19.404 5.245 26 2HB SER 3 3HB SER 3 -0.708 -21.136 4.953 27 HG SER 3 HG SER 3 -0.416 -20.010 7.543 28 H GLU 4 H GLU 4 1.580 -17.849 4.538 29 HA GLU 4 HA GLU 4 1.596 -16.353 7.057 30 1HB GLU 4 2HB GLU 4 3.936 -17.288 6.728 31 2HB GLU 4 3HB GLU 4 4.091 -16.259 5.296 32 1HG GLU 4 2HG GLU 4 4.009 -14.274 6.632 33 2HG GLU 4 3HG GLU 4 3.301 -15.128 8.016 34 H GLN 5 H GLN 5 -0.305 -16.369 5.263 35 HA GLN 5 HA GLN 5 0.061 -14.505 3.096 36 1HB GLN 5 2HB GLN 5 -2.661 -15.129 4.234 37 2HB GLN 5 3HB GLN 5 -2.171 -14.836 2.566 38 1HG GLN 5 2HG GLN 5 -1.935 -17.345 4.233 39 2HG GLN 5 3HG GLN 5 -2.696 -17.134 2.663 40 1HE2 GLN 5 1HE2 GLN 5 -1.081 -16.581 0.761 41 2HE2 GLN 5 2HE2 GLN 5 0.583 -17.200 0.949 42 H LYS 6 H LYS 6 -0.803 -12.377 2.974 43 HA LYS 6 HA LYS 6 -1.140 -10.960 5.612 44 1HB LYS 6 2HB LYS 6 -0.498 -8.963 4.440 45 2HB LYS 6 3HB LYS 6 0.671 -10.220 3.996 46 1HG LYS 6 2HG LYS 6 -1.302 -10.555 2.048 47 2HG LYS 6 3HG LYS 6 -1.413 -8.832 2.328 48 1HD LYS 6 2HD LYS 6 1.096 -10.459 1.692 49 2HD LYS 6 3HD LYS 6 0.074 -9.678 0.524 50 1HE LYS 6 2HE LYS 6 0.485 -7.512 2.105 51 2HE LYS 6 3HE LYS 6 1.933 -8.446 2.526 52 1HZ LYS 6 1HZ LYS 6 1.082 -7.453 -0.107 53 2HZ LYS 6 2HZ LYS 6 2.407 -6.961 0.731 54 3HZ LYS 6 3HZ LYS 6 2.372 -8.480 0.082 55 H GLU 7 H GLU 7 -2.779 -9.149 5.451 56 HA GLU 7 HA GLU 7 -4.936 -9.508 3.449 57 1HB GLU 7 2HB GLU 7 -5.170 -8.423 6.299 58 2HB GLU 7 3HB GLU 7 -6.465 -8.675 5.124 59 1HG GLU 7 2HG GLU 7 -6.774 -10.624 6.246 60 2HG GLU 7 3HG GLU 7 -5.437 -11.229 5.267 61 H ILE 8 H ILE 8 -5.011 -7.686 2.154 62 HA ILE 8 HA ILE 8 -3.910 -5.129 3.274 63 HB ILE 8 HB ILE 8 -2.795 -6.428 1.203 64 1HG1 ILE 8 2HG1 ILE 8 -2.156 -4.075 0.307 65 2HG1 ILE 8 3HG1 ILE 8 -3.051 -3.480 1.719 66 1HG2 ILE 8 1HG2 ILE 8 -4.806 -6.429 -0.187 67 2HG2 ILE 8 2HG2 ILE 8 -4.822 -4.648 -0.197 68 3HG2 ILE 8 3HG2 ILE 8 -3.484 -5.526 -0.947 69 1HD1 ILE 8 1HD1 ILE 8 -1.581 -4.928 3.167 70 2HD1 ILE 8 2HD1 ILE 8 -0.744 -5.491 1.701 71 3HD1 ILE 8 3HD1 ILE 8 -0.628 -3.789 2.188 72 H ALA 9 H ALA 9 -5.550 -3.742 3.714 73 HA ALA 9 HA ALA 9 -8.137 -4.062 2.254 74 1HB ALA 9 1HB ALA 9 -9.149 -3.028 4.249 75 2HB ALA 9 2HB ALA 9 -8.326 -4.552 4.645 76 3HB ALA 9 3HB ALA 9 -7.562 -2.997 5.047 77 H MET 10 H MET 10 -8.370 -2.482 0.757 78 HA MET 10 HA MET 10 -7.360 0.278 1.299 79 1HB MET 10 2HB MET 10 -6.811 -1.458 -1.148 80 2HB MET 10 3HB MET 10 -6.491 0.284 -1.091 81 1HG MET 10 2HG MET 10 -4.722 0.043 0.450 82 2HG MET 10 3HG MET 10 -5.279 -1.508 1.025 83 1HE MET 10 1HE MET 10 -3.075 0.190 -1.611 84 2HE MET 10 2HE MET 10 -2.809 -1.156 -2.756 85 3HE MET 10 3HE MET 10 -4.408 -0.374 -2.660 86 H GLN 11 H GLN 11 -8.353 1.846 -0.285 87 HA GLN 11 HA GLN 11 -11.189 1.090 -0.778 88 1HB GLN 11 2HB GLN 11 -10.486 3.012 0.759 89 2HB GLN 11 3HB GLN 11 -10.139 3.915 -0.726 90 1HG GLN 11 2HG GLN 11 -12.581 2.994 -1.388 91 2HG GLN 11 3HG GLN 11 -12.755 2.907 0.370 92 1HE2 GLN 11 1HE2 GLN 11 -12.617 5.063 1.572 93 2HE2 GLN 11 2HE2 GLN 11 -12.942 6.512 0.645 94 H VAL 12 H VAL 12 -11.826 0.793 -2.819 95 HA VAL 12 HA VAL 12 -10.209 1.797 -5.073 96 HB VAL 12 HB VAL 12 -10.147 -0.630 -4.807 97 1HG1 VAL 12 1HG1 VAL 12 -12.273 -1.059 -3.626 98 2HG1 VAL 12 2HG1 VAL 12 -13.182 -0.506 -5.045 99 3HG1 VAL 12 3HG1 VAL 12 -12.220 -1.985 -5.136 100 1HG2 VAL 12 1HG2 VAL 12 -11.916 0.112 -7.150 101 2HG2 VAL 12 2HG2 VAL 12 -10.154 0.356 -7.077 102 3HG2 VAL 12 3HG2 VAL 12 -10.832 -1.283 -7.020 103 H SER 13 H SER 13 -11.375 2.671 -6.878 104 HA SER 13 HA SER 13 -14.033 3.770 -6.132 105 1HB SER 13 2HB SER 13 -12.280 4.429 -8.495 106 2HB SER 13 3HB SER 13 -13.642 5.356 -7.831 107 HG SER 13 HG SER 13 -11.562 6.194 -7.161 108 H GLY 14 H GLY 14 -15.572 4.041 -7.998 109 1HA GLY 14 2HA GLY 14 -16.823 3.269 -9.754 110 2HA GLY 14 3HA GLY 14 -15.406 2.391 -10.352 111 H MET 15 H MET 15 -16.043 1.587 -7.095 112 HA MET 15 HA MET 15 -16.729 -1.079 -7.831 113 1HB MET 15 2HB MET 15 -15.505 0.290 -5.690 114 2HB MET 15 3HB MET 15 -16.936 -0.393 -4.951 115 1HG MET 15 2HG MET 15 -14.842 -1.835 -6.623 116 2HG MET 15 3HG MET 15 -15.020 -1.838 -4.872 117 1HE MET 15 1HE MET 15 -17.027 -2.814 -3.618 118 2HE MET 15 2HE MET 15 -18.363 -2.276 -4.644 119 3HE MET 15 3HE MET 15 -18.174 -4.003 -4.288 120 H THR 16 H THR 16 -18.730 -0.468 -9.051 121 HA THR 16 HA THR 16 -21.121 0.031 -7.527 122 HB THR 16 HB THR 16 -20.964 -1.284 -10.260 123 HG1 THR 16 1HG THR 16 -20.447 1.377 -9.471 124 1HG2 THR 16 1HG2 THR 16 -22.928 0.676 -8.979 125 2HG2 THR 16 2HG2 THR 16 -22.922 0.229 -10.697 126 3HG2 THR 16 3HG2 THR 16 -23.263 -0.997 -9.473 127 H CYS 17 H CYS 17 -19.209 -2.606 -7.199 128 HA CYS 17 HA CYS 17 -19.388 -4.728 -6.672 129 1HB CYS 17 2HB CYS 17 -20.784 -5.383 -5.038 130 2HB CYS 17 3HB CYS 17 -20.886 -3.626 -4.876 131 HG CYS 17 HG CYS 17 -23.147 -3.398 -6.221 132 H ALA 18 H ALA 18 -21.451 -6.650 -6.764 133 HA ALA 18 HA ALA 18 -22.328 -8.184 -8.126 134 1HB ALA 18 1HB ALA 18 -23.234 -5.754 -9.739 135 2HB ALA 18 2HB ALA 18 -23.873 -7.404 -9.870 136 3HB ALA 18 3HB ALA 18 -24.063 -6.492 -8.361 137 H ALA 19 H ALA 19 -21.359 -5.891 -10.654 138 HA ALA 19 HA ALA 19 -19.831 -8.017 -12.074 139 1HB ALA 19 1HB ALA 19 -20.496 -5.151 -12.874 140 2HB ALA 19 2HB ALA 19 -19.654 -6.360 -13.871 141 3HB ALA 19 3HB ALA 19 -21.351 -6.614 -13.414 142 H CYS 20 H CYS 20 -19.398 -4.908 -10.248 143 HA CYS 20 HA CYS 20 -16.708 -4.535 -11.252 144 1HB CYS 20 2HB CYS 20 -18.266 -3.290 -8.957 145 2HB CYS 20 3HB CYS 20 -16.619 -2.809 -9.409 146 HG CYS 20 HG CYS 20 -19.179 -2.995 -11.477 147 H ALA 21 H ALA 21 -18.019 -5.340 -8.034 148 HA ALA 21 HA ALA 21 -15.698 -6.131 -6.750 149 1HB ALA 21 1HB ALA 21 -17.808 -6.070 -5.529 150 2HB ALA 21 2HB ALA 21 -18.507 -7.338 -6.561 151 3HB ALA 21 3HB ALA 21 -17.189 -7.727 -5.444 152 H ALA 22 H ALA 22 -17.888 -8.262 -8.616 153 HA ALA 22 HA ALA 22 -16.352 -10.601 -8.456 154 1HB ALA 22 1HB ALA 22 -18.672 -10.562 -9.235 155 2HB ALA 22 2HB ALA 22 -18.185 -9.685 -10.709 156 3HB ALA 22 3HB ALA 22 -17.624 -11.347 -10.430 157 H ARG 23 H ARG 23 -16.060 -7.827 -10.719 158 HA ARG 23 HA ARG 23 -14.159 -9.153 -12.426 159 1HB ARG 23 2HB ARG 23 -15.176 -6.325 -12.100 160 2HB ARG 23 3HB ARG 23 -13.607 -6.529 -12.848 161 1HG ARG 23 2HG ARG 23 -16.137 -7.939 -13.782 162 2HG ARG 23 3HG ARG 23 -15.444 -6.462 -14.469 163 1HD ARG 23 2HD ARG 23 -13.265 -8.257 -14.351 164 2HD ARG 23 3HD ARG 23 -14.613 -9.285 -14.837 165 HE ARG 23 HE ARG 23 -14.898 -7.087 -16.467 166 1HH1 ARG 23 2HH2 ARG 23 -12.212 -9.274 -15.844 167 2HH1 ARG 23 1HH2 ARG 23 -11.398 -8.970 -17.351 168 1HH2 ARG 23 2HH1 ARG 23 -13.836 -6.626 -18.463 169 2HH2 ARG 23 1HH1 ARG 23 -12.369 -7.440 -18.887 170 H ILE 24 H ILE 24 -13.856 -6.962 -9.549 171 HA ILE 24 HA ILE 24 -11.014 -6.767 -9.773 172 HB ILE 24 HB ILE 24 -12.690 -6.670 -7.277 173 1HG1 ILE 24 2HG1 ILE 24 -13.760 -4.929 -8.144 174 2HG1 ILE 24 3HG1 ILE 24 -12.341 -4.119 -7.507 175 1HG2 ILE 24 1HG2 ILE 24 -10.868 -5.335 -6.374 176 2HG2 ILE 24 2HG2 ILE 24 -10.320 -6.940 -6.874 177 3HG2 ILE 24 3HG2 ILE 24 -9.999 -5.531 -7.921 178 1HD1 ILE 24 1HD1 ILE 24 -12.636 -3.310 -9.708 179 2HD1 ILE 24 2HD1 ILE 24 -11.254 -4.451 -9.744 180 3HD1 ILE 24 3HD1 ILE 24 -12.863 -4.958 -10.331 181 H GLU 25 H GLU 25 -13.181 -8.886 -7.838 182 HA GLU 25 HA GLU 25 -11.199 -10.408 -6.599 183 1HB GLU 25 2HB GLU 25 -14.054 -11.099 -7.410 184 2HB GLU 25 3HB GLU 25 -13.099 -12.051 -6.263 185 1HG GLU 25 2HG GLU 25 -12.985 -10.260 -4.680 186 2HG GLU 25 3HG GLU 25 -13.615 -9.071 -5.805 187 H LYS 26 H LYS 26 -13.003 -11.154 -9.683 188 HA LYS 26 HA LYS 26 -11.621 -13.547 -10.188 189 1HB LYS 26 2HB LYS 26 -13.753 -13.065 -11.131 190 2HB LYS 26 3HB LYS 26 -13.101 -11.689 -12.058 191 1HG LYS 26 2HG LYS 26 -11.888 -13.028 -13.480 192 2HG LYS 26 3HG LYS 26 -11.779 -14.370 -12.335 193 1HD LYS 26 2HD LYS 26 -13.188 -15.013 -14.195 194 2HD LYS 26 3HD LYS 26 -14.082 -15.003 -12.666 195 1HE LYS 26 2HE LYS 26 -15.119 -12.835 -13.243 196 2HE LYS 26 3HE LYS 26 -14.163 -12.746 -14.733 197 1HZ LYS 26 1HZ LYS 26 -15.313 -14.704 -15.516 198 2HZ LYS 26 2HZ LYS 26 -16.179 -14.811 -14.122 199 3HZ LYS 26 3HZ LYS 26 -16.399 -13.533 -15.127 200 H GLY 27 H GLY 27 -10.969 -10.174 -11.222 201 1HA GLY 27 2HA GLY 27 -8.818 -10.683 -13.009 202 2HA GLY 27 3HA GLY 27 -9.094 -9.200 -12.073 203 H LEU 28 H LEU 28 -8.903 -10.026 -9.477 204 HA LEU 28 HA LEU 28 -6.037 -10.258 -9.201 205 1HB LEU 28 2HB LEU 28 -8.369 -9.937 -7.300 206 2HB LEU 28 3HB LEU 28 -6.793 -10.390 -6.675 207 HG LEU 28 HG LEU 28 -7.178 -7.920 -6.588 208 1HD1 LEU 28 1HD1 LEU 28 -5.032 -7.283 -7.287 209 2HD1 LEU 28 2HD1 LEU 28 -4.924 -8.939 -6.660 210 3HD1 LEU 28 3HD1 LEU 28 -4.856 -8.640 -8.403 211 1HD2 LEU 28 1HD2 LEU 28 -6.947 -6.541 -8.570 212 2HD2 LEU 28 2HD2 LEU 28 -7.202 -7.946 -9.607 213 3HD2 LEU 28 3HD2 LEU 28 -8.469 -7.408 -8.493 214 H LYS 29 H LYS 29 -8.709 -12.573 -8.819 215 HA LYS 29 HA LYS 29 -7.185 -14.765 -7.931 216 1HB LYS 29 2HB LYS 29 -9.794 -14.363 -9.150 217 2HB LYS 29 3HB LYS 29 -9.015 -15.707 -9.935 218 1HG LYS 29 2HG LYS 29 -10.212 -16.652 -8.245 219 2HG LYS 29 3HG LYS 29 -8.544 -16.715 -7.665 220 1HD LYS 29 2HD LYS 29 -8.981 -15.227 -5.905 221 2HD LYS 29 3HD LYS 29 -10.024 -14.232 -6.909 222 1HE LYS 29 2HE LYS 29 -11.489 -15.086 -5.302 223 2HE LYS 29 3HE LYS 29 -11.811 -15.993 -6.788 224 1HZ LYS 29 1HZ LYS 29 -10.267 -16.887 -4.424 225 2HZ LYS 29 2HZ LYS 29 -11.732 -17.430 -4.892 226 3HZ LYS 29 3HZ LYS 29 -10.411 -17.774 -5.816 227 H ARG 30 H ARG 30 -6.851 -13.084 -10.999 228 HA ARG 30 HA ARG 30 -5.720 -15.273 -12.457 229 1HB ARG 30 2HB ARG 30 -6.504 -12.783 -13.150 230 2HB ARG 30 3HB ARG 30 -4.786 -12.461 -12.926 231 1HG ARG 30 2HG ARG 30 -4.757 -13.086 -15.154 232 2HG ARG 30 3HG ARG 30 -4.642 -14.715 -14.468 233 1HD ARG 30 2HD ARG 30 -7.211 -14.772 -14.521 234 2HD ARG 30 3HD ARG 30 -7.135 -13.207 -15.363 235 HE ARG 30 HE ARG 30 -5.593 -15.419 -16.555 236 1HH1 ARG 30 2HH2 ARG 30 -8.695 -13.727 -16.557 237 2HH1 ARG 30 1HH2 ARG 30 -9.169 -14.268 -18.138 238 1HH2 ARG 30 2HH1 ARG 30 -6.244 -16.229 -18.621 239 2HH2 ARG 30 1HH1 ARG 30 -7.756 -15.752 -19.315 240 H MET 31 H MET 31 -4.485 -13.340 -9.807 241 HA MET 31 HA MET 31 -1.656 -13.724 -10.485 242 1HB MET 31 2HB MET 31 -3.040 -12.639 -8.021 243 2HB MET 31 3HB MET 31 -1.308 -12.552 -8.295 244 1HG MET 31 2HG MET 31 -3.087 -11.285 -10.376 245 2HG MET 31 3HG MET 31 -3.026 -10.555 -8.783 246 1HE MET 31 1HE MET 31 0.633 -10.759 -11.580 247 2HE MET 31 2HE MET 31 0.029 -12.232 -10.804 248 3HE MET 31 3HE MET 31 -0.977 -11.385 -12.009 249 HA PRO 32 HA PRO 32 -1.485 -17.598 -8.327 250 1HB PRO 32 2HB PRO 32 1.158 -17.780 -7.598 251 2HB PRO 32 3HB PRO 32 0.577 -17.924 -9.280 252 1HG PRO 32 2HG PRO 32 1.720 -15.470 -7.925 253 2HG PRO 32 3HG PRO 32 2.140 -16.138 -9.525 254 1HD PRO 32 2HD PRO 32 0.377 -14.081 -9.256 255 2HD PRO 32 3HD PRO 32 0.122 -15.352 -10.487 256 H GLY 33 H GLY 33 0.165 -14.869 -6.514 257 1HA GLY 33 2HA GLY 33 0.158 -16.310 -4.047 258 2HA GLY 33 3HA GLY 33 0.477 -14.589 -4.290 259 H VAL 34 H VAL 34 -2.278 -14.471 -5.708 260 HA VAL 34 HA VAL 34 -3.836 -13.508 -3.518 261 HB VAL 34 HB VAL 34 -4.465 -14.100 -6.400 262 1HG1 VAL 34 1HG1 VAL 34 -6.663 -12.960 -5.946 263 2HG1 VAL 34 2HG1 VAL 34 -6.554 -14.580 -5.260 264 3HG1 VAL 34 3HG1 VAL 34 -6.364 -13.157 -4.208 265 1HG2 VAL 34 1HG2 VAL 34 -4.662 -11.625 -6.430 266 2HG2 VAL 34 2HG2 VAL 34 -4.428 -11.560 -4.682 267 3HG2 VAL 34 3HG2 VAL 34 -3.099 -12.076 -5.735 268 H THR 35 H THR 35 -4.318 -14.676 -1.883 269 HA THR 35 HA THR 35 -4.742 -17.572 -2.137 270 HB THR 35 HB THR 35 -4.826 -15.734 0.282 271 HG1 THR 35 1HG THR 35 -2.740 -16.183 -1.191 272 1HG2 THR 35 1HG2 THR 35 -4.374 -18.740 0.059 273 2HG2 THR 35 2HG2 THR 35 -4.444 -17.794 1.559 274 3HG2 THR 35 3HG2 THR 35 -5.891 -17.968 0.572 275 H ASP 36 H ASP 36 -6.457 -14.542 -1.065 276 HA ASP 36 HA ASP 36 -8.713 -15.519 -2.508 277 1HB ASP 36 2HB ASP 36 -9.144 -16.513 -0.211 278 2HB ASP 36 3HB ASP 36 -9.168 -14.868 0.440 279 H ALA 37 H ALA 37 -10.361 -13.791 -2.710 280 HA ALA 37 HA ALA 37 -9.209 -11.044 -2.356 281 1HB ALA 37 1HB ALA 37 -8.541 -11.771 -4.616 282 2HB ALA 37 2HB ALA 37 -10.232 -12.164 -4.998 283 3HB ALA 37 3HB ALA 37 -9.756 -10.480 -4.673 284 H ASN 38 H ASN 38 -10.765 -9.813 -1.364 285 HA ASN 38 HA ASN 38 -13.630 -10.375 -1.955 286 1HB ASN 38 2HB ASN 38 -12.283 -10.084 0.757 287 2HB ASN 38 3HB ASN 38 -14.030 -9.968 0.505 288 1HD2 ASN 38 1HD2 ASN 38 -11.217 -12.140 0.403 289 2HD2 ASN 38 2HD2 ASN 38 -12.126 -13.646 0.386 290 H VAL 39 H VAL 39 -14.973 -8.470 -1.465 291 HA VAL 39 HA VAL 39 -13.590 -5.971 -0.791 292 HB VAL 39 HB VAL 39 -13.152 -5.963 -3.102 293 1HG1 VAL 39 1HG1 VAL 39 -14.778 -6.173 -4.838 294 2HG1 VAL 39 2HG1 VAL 39 -14.700 -7.662 -3.909 295 3HG1 VAL 39 3HG1 VAL 39 -16.069 -6.549 -3.671 296 1HG2 VAL 39 1HG2 VAL 39 -14.059 -3.817 -2.100 297 2HG2 VAL 39 2HG2 VAL 39 -14.279 -3.972 -3.850 298 3HG2 VAL 39 3HG2 VAL 39 -15.640 -4.268 -2.746 299 H ASN 40 H ASN 40 -14.696 -4.912 0.608 300 HA ASN 40 HA ASN 40 -17.486 -5.737 1.127 301 1HB ASN 40 2HB ASN 40 -15.966 -5.518 3.039 302 2HB ASN 40 3HB ASN 40 -15.665 -3.819 2.635 303 1HD2 ASN 40 1HD2 ASN 40 -16.799 -2.595 4.232 304 2HD2 ASN 40 2HD2 ASN 40 -18.418 -3.012 4.752 305 H LEU 41 H LEU 41 -18.565 -4.869 -0.644 306 HA LEU 41 HA LEU 41 -18.299 -2.291 -1.685 307 1HB LEU 41 2HB LEU 41 -20.167 -2.668 -2.902 308 2HB LEU 41 3HB LEU 41 -19.639 -4.312 -2.567 309 HG LEU 41 HG LEU 41 -21.504 -3.667 -0.498 310 1HD1 LEU 41 1HD1 LEU 41 -22.518 -2.793 -3.236 311 2HD1 LEU 41 2HD1 LEU 41 -23.475 -2.915 -1.749 312 3HD1 LEU 41 3HD1 LEU 41 -22.186 -1.703 -1.877 313 1HD2 LEU 41 1HD2 LEU 41 -22.918 -5.329 -1.576 314 2HD2 LEU 41 2HD2 LEU 41 -21.887 -5.297 -3.014 315 3HD2 LEU 41 3HD2 LEU 41 -21.231 -5.867 -1.468 316 H ALA 42 H ALA 42 -19.834 -3.283 1.258 317 HA ALA 42 HA ALA 42 -21.653 -1.127 1.574 318 1HB ALA 42 1HB ALA 42 -21.772 -3.263 2.858 319 2HB ALA 42 2HB ALA 42 -20.299 -2.790 3.736 320 3HB ALA 42 3HB ALA 42 -21.775 -1.830 3.912 321 H THR 43 H THR 43 -18.173 -1.392 2.069 322 HA THR 43 HA THR 43 -18.181 1.483 2.872 323 HB THR 43 HB THR 43 -16.214 1.080 4.250 324 HG1 THR 43 1HG THR 43 -15.218 -0.679 3.539 325 1HG2 THR 43 1HG2 THR 43 -17.271 -0.083 6.115 326 2HG2 THR 43 2HG2 THR 43 -18.450 0.966 5.303 327 3HG2 THR 43 3HG2 THR 43 -18.494 -0.785 5.047 328 H GLU 44 H GLU 44 -17.969 -0.149 0.250 329 HA GLU 44 HA GLU 44 -16.547 -0.560 -1.493 330 1HB GLU 44 2HB GLU 44 -16.230 2.429 -1.024 331 2HB GLU 44 3HB GLU 44 -15.614 1.600 -2.460 332 1HG GLU 44 2HG GLU 44 -17.886 0.788 -3.003 333 2HG GLU 44 3HG GLU 44 -18.533 1.675 -1.612 334 H THR 45 H THR 45 -15.220 -1.779 0.432 335 HA THR 45 HA THR 45 -12.426 -0.680 0.389 336 HB THR 45 HB THR 45 -13.877 -2.145 2.609 337 HG1 THR 45 1HG THR 45 -14.260 0.237 1.999 338 1HG2 THR 45 1HG2 THR 45 -11.824 -1.503 3.908 339 2HG2 THR 45 2HG2 THR 45 -11.510 -2.646 2.582 340 3HG2 THR 45 3HG2 THR 45 -11.099 -0.926 2.391 341 H VAL 46 H VAL 46 -11.223 -1.930 -0.940 342 HA VAL 46 HA VAL 46 -12.035 -4.697 -1.523 343 HB VAL 46 HB VAL 46 -11.486 -3.380 -3.435 344 1HG1 VAL 46 1HG1 VAL 46 -9.953 -1.668 -2.556 345 2HG1 VAL 46 2HG1 VAL 46 -8.723 -2.905 -2.204 346 3HG1 VAL 46 3HG1 VAL 46 -9.179 -2.553 -3.869 347 1HG2 VAL 46 1HG2 VAL 46 -10.912 -5.726 -3.525 348 2HG2 VAL 46 2HG2 VAL 46 -9.692 -4.783 -4.401 349 3HG2 VAL 46 3HG2 VAL 46 -9.335 -5.403 -2.784 350 H ASN 47 H ASN 47 -11.151 -6.375 -0.496 351 HA ASN 47 HA ASN 47 -8.820 -5.883 1.238 352 1HB ASN 47 2HB ASN 47 -9.891 -7.305 2.957 353 2HB ASN 47 3HB ASN 47 -10.558 -5.687 2.733 354 1HD2 ASN 47 1HD2 ASN 47 -12.639 -5.504 1.372 355 2HD2 ASN 47 2HD2 ASN 47 -13.754 -6.848 1.616 356 H VAL 48 H VAL 48 -7.287 -6.987 0.247 357 HA VAL 48 HA VAL 48 -7.989 -9.596 -1.070 358 HB VAL 48 HB VAL 48 -5.558 -7.919 -1.740 359 1HG1 VAL 48 1HG1 VAL 48 -5.548 -10.315 -2.436 360 2HG1 VAL 48 2HG1 VAL 48 -7.091 -10.066 -3.272 361 3HG1 VAL 48 3HG1 VAL 48 -5.638 -9.222 -3.825 362 1HG2 VAL 48 1HG2 VAL 48 -6.866 -7.161 -3.751 363 2HG2 VAL 48 2HG2 VAL 48 -8.337 -7.798 -2.983 364 3HG2 VAL 48 3HG2 VAL 48 -7.423 -6.468 -2.226 365 H ILE 49 H ILE 49 -6.993 -11.440 -0.381 366 HA ILE 49 HA ILE 49 -4.967 -11.186 1.753 367 HB ILE 49 HB ILE 49 -7.105 -13.294 1.308 368 1HG1 ILE 49 2HG1 ILE 49 -7.258 -12.255 3.932 369 2HG1 ILE 49 3HG1 ILE 49 -6.954 -10.830 2.945 370 1HG2 ILE 49 1HG2 ILE 49 -5.009 -13.192 3.513 371 2HG2 ILE 49 2HG2 ILE 49 -6.317 -14.373 3.339 372 3HG2 ILE 49 3HG2 ILE 49 -5.007 -14.334 2.157 373 1HD1 ILE 49 1HD1 ILE 49 -9.352 -11.225 3.192 374 2HD1 ILE 49 2HD1 ILE 49 -8.896 -11.466 1.491 375 3HD1 ILE 49 3HD1 ILE 49 -9.182 -12.871 2.548 376 H TYR 50 H TYR 50 -2.962 -11.928 1.177 377 HA TYR 50 HA TYR 50 -2.697 -13.987 -0.845 378 1HB TYR 50 2HB TYR 50 -1.641 -12.608 -2.584 379 2HB TYR 50 3HB TYR 50 -3.267 -12.012 -2.238 380 HD1 TYR 50 HD1 TYR 50 0.219 -11.086 -2.398 381 HD2 TYR 50 HD2 TYR 50 -3.683 -10.049 -0.888 382 HE1 TYR 50 HE1 TYR 50 0.934 -8.728 -2.135 383 HE2 TYR 50 HE2 TYR 50 -2.968 -7.760 -0.545 384 HH TYR 50 HH TYR 50 -1.136 -6.306 -0.536 385 H ASP 51 H ASP 51 -0.448 -14.353 -1.541 386 HA ASP 51 HA ASP 51 1.131 -14.461 0.858 387 1HB ASP 51 2HB ASP 51 0.870 -16.229 -1.051 388 2HB ASP 51 3HB ASP 51 2.150 -15.322 -1.857 389 HA PRO 52 HA PRO 52 3.411 -10.727 -0.406 390 1HB PRO 52 2HB PRO 52 4.985 -10.351 1.838 391 2HB PRO 52 3HB PRO 52 3.241 -10.095 1.863 392 1HG PRO 52 2HG PRO 52 4.747 -12.556 2.732 393 2HG PRO 52 3HG PRO 52 3.460 -11.702 3.624 394 1HD PRO 52 2HD PRO 52 3.045 -13.947 2.085 395 2HD PRO 52 3HD PRO 52 1.794 -12.691 2.297 396 H ALA 53 H ALA 53 4.253 -13.350 -1.420 397 HA ALA 53 HA ALA 53 7.079 -12.735 -1.923 398 1HB ALA 53 1HB ALA 53 7.979 -14.816 -0.983 399 2HB ALA 53 2HB ALA 53 7.224 -13.860 0.309 400 3HB ALA 53 3HB ALA 53 6.372 -15.265 -0.384 401 H GLU 54 H GLU 54 4.588 -13.179 -3.319 402 HA GLU 54 HA GLU 54 5.639 -14.954 -5.411 403 1HB GLU 54 2HB GLU 54 2.787 -15.163 -4.318 404 2HB GLU 54 3HB GLU 54 3.366 -15.884 -5.827 405 1HG GLU 54 2HG GLU 54 5.115 -17.122 -4.427 406 2HG GLU 54 3HG GLU 54 4.193 -16.613 -3.000 407 H THR 55 H THR 55 3.163 -12.489 -4.378 408 HA THR 55 HA THR 55 2.711 -11.801 -7.211 409 HB THR 55 HB THR 55 1.116 -12.206 -4.689 410 HG1 THR 55 1HG THR 55 0.815 -12.788 -7.443 411 1HG2 THR 55 1HG2 THR 55 0.352 -9.998 -5.196 412 2HG2 THR 55 2HG2 THR 55 0.273 -10.399 -6.927 413 3HG2 THR 55 3HG2 THR 55 -0.793 -11.218 -5.730 414 H GLY 56 H GLY 56 2.104 -9.935 -4.167 415 1HA GLY 56 2HA GLY 56 3.704 -8.261 -3.450 416 2HA GLY 56 3HA GLY 56 4.079 -7.890 -5.131 417 H THR 57 H THR 57 2.556 -6.705 -2.648 418 HA THR 57 HA THR 57 0.038 -5.754 -3.157 419 HB THR 57 HB THR 57 1.109 -5.200 -1.154 420 HG1 THR 57 1HG THR 57 1.067 -2.658 -1.901 421 1HG2 THR 57 1HG2 THR 57 3.162 -3.577 -2.656 422 2HG2 THR 57 2HG2 THR 57 2.940 -3.711 -0.898 423 3HG2 THR 57 3HG2 THR 57 3.386 -5.143 -1.837 424 H ALA 58 H ALA 58 3.014 -4.505 -4.705 425 HA ALA 58 HA ALA 58 1.751 -2.439 -6.222 426 1HB ALA 58 1HB ALA 58 4.165 -4.118 -7.087 427 2HB ALA 58 2HB ALA 58 3.797 -2.433 -7.511 428 3HB ALA 58 3HB ALA 58 4.278 -2.860 -5.856 429 H ALA 59 H ALA 59 2.199 -5.963 -6.909 430 HA ALA 59 HA ALA 59 1.274 -5.709 -9.651 431 1HB ALA 59 1HB ALA 59 1.228 -8.096 -9.642 432 2HB ALA 59 2HB ALA 59 2.747 -7.528 -8.904 433 3HB ALA 59 3HB ALA 59 1.426 -8.148 -7.874 434 H ILE 60 H ILE 60 -0.090 -6.458 -6.462 435 HA ILE 60 HA ILE 60 -2.695 -7.266 -7.242 436 HB ILE 60 HB ILE 60 -1.840 -5.698 -4.796 437 1HG1 ILE 60 2HG1 ILE 60 -0.802 -8.108 -5.435 438 2HG1 ILE 60 3HG1 ILE 60 -1.088 -7.540 -3.805 439 1HG2 ILE 60 1HG2 ILE 60 -4.341 -7.332 -5.072 440 2HG2 ILE 60 2HG2 ILE 60 -3.700 -6.578 -3.602 441 3HG2 ILE 60 3HG2 ILE 60 -4.225 -5.565 -4.956 442 1HD1 ILE 60 1HD1 ILE 60 -2.972 -9.300 -5.388 443 2HD1 ILE 60 2HD1 ILE 60 -1.794 -9.838 -4.181 444 3HD1 ILE 60 3HD1 ILE 60 -3.135 -8.821 -3.666 445 H GLN 61 H GLN 61 -1.487 -4.001 -6.257 446 HA GLN 61 HA GLN 61 -3.899 -2.698 -7.024 447 1HB GLN 61 2HB GLN 61 -2.970 -0.731 -6.384 448 2HB GLN 61 3HB GLN 61 -2.039 -1.899 -5.451 449 1HG GLN 61 2HG GLN 61 -0.436 -0.379 -6.132 450 2HG GLN 61 3HG GLN 61 -0.242 -1.668 -7.302 451 1HE2 GLN 61 1HE2 GLN 61 -1.625 1.616 -6.806 452 2HE2 GLN 61 2HE2 GLN 61 -1.821 1.875 -8.548 453 H GLU 62 H GLU 62 -0.918 -3.473 -8.874 454 HA GLU 62 HA GLU 62 -1.550 -2.008 -11.197 455 1HB GLU 62 2HB GLU 62 0.645 -3.101 -10.733 456 2HB GLU 62 3HB GLU 62 -0.133 -4.681 -10.977 457 1HG GLU 62 2HG GLU 62 -0.699 -3.923 -13.324 458 2HG GLU 62 3HG GLU 62 0.328 -2.513 -13.040 459 H LYS 63 H LYS 63 -2.880 -5.175 -9.972 460 HA LYS 63 HA LYS 63 -3.875 -5.916 -12.532 461 1HB LYS 63 2HB LYS 63 -3.381 -7.335 -10.403 462 2HB LYS 63 3HB LYS 63 -4.924 -6.721 -9.821 463 1HG LYS 63 2HG LYS 63 -5.440 -8.751 -10.695 464 2HG LYS 63 3HG LYS 63 -5.943 -7.682 -12.001 465 1HD LYS 63 2HD LYS 63 -3.210 -9.083 -11.896 466 2HD LYS 63 3HD LYS 63 -4.668 -9.925 -12.428 467 1HE LYS 63 2HE LYS 63 -4.985 -8.039 -14.160 468 2HE LYS 63 3HE LYS 63 -3.314 -7.565 -13.789 469 1HZ LYS 63 1HZ LYS 63 -2.598 -9.743 -14.413 470 2HZ LYS 63 2HZ LYS 63 -4.144 -10.215 -14.735 471 3HZ LYS 63 3HZ LYS 63 -3.435 -9.047 -15.648 472 H ILE 64 H ILE 64 -5.162 -4.115 -9.740 473 HA ILE 64 HA ILE 64 -7.840 -3.780 -10.677 474 HB ILE 64 HB ILE 64 -6.180 -1.954 -8.883 475 1HG1 ILE 64 2HG1 ILE 64 -8.016 -4.276 -8.138 476 2HG1 ILE 64 3HG1 ILE 64 -6.252 -4.304 -8.046 477 1HG2 ILE 64 1HG2 ILE 64 -9.191 -2.257 -9.211 478 2HG2 ILE 64 2HG2 ILE 64 -8.377 -1.212 -8.028 479 3HG2 ILE 64 3HG2 ILE 64 -8.208 -0.868 -9.740 480 1HD1 ILE 64 1HD1 ILE 64 -6.990 -3.918 -5.857 481 2HD1 ILE 64 2HD1 ILE 64 -6.328 -2.382 -6.447 482 3HD1 ILE 64 3HD1 ILE 64 -8.092 -2.621 -6.340 483 H GLU 65 H GLU 65 -4.886 -1.711 -10.962 484 HA GLU 65 HA GLU 65 -6.137 0.274 -12.565 485 1HB GLU 65 2HB GLU 65 -3.206 -0.522 -12.324 486 2HB GLU 65 3HB GLU 65 -3.806 0.843 -13.271 487 1HG GLU 65 2HG GLU 65 -4.991 1.666 -11.145 488 2HG GLU 65 3HG GLU 65 -4.090 0.427 -10.256 489 H LYS 66 H LYS 66 -4.273 -2.602 -13.632 490 HA LYS 66 HA LYS 66 -4.576 -2.228 -16.425 491 1HB LYS 66 2HB LYS 66 -4.162 -4.669 -14.708 492 2HB LYS 66 3HB LYS 66 -4.408 -4.792 -16.458 493 1HG LYS 66 2HG LYS 66 -2.563 -3.268 -16.917 494 2HG LYS 66 3HG LYS 66 -2.282 -3.018 -15.180 495 1HD LYS 66 2HD LYS 66 -1.661 -5.298 -14.863 496 2HD LYS 66 3HD LYS 66 -2.206 -5.750 -16.499 497 1HE LYS 66 2HE LYS 66 -0.419 -4.490 -17.552 498 2HE LYS 66 3HE LYS 66 0.033 -3.733 -16.011 499 1HZ LYS 66 1HZ LYS 66 0.360 -6.607 -16.585 500 2HZ LYS 66 2HZ LYS 66 1.551 -5.464 -16.585 501 3HZ LYS 66 3HZ LYS 66 0.774 -5.810 -15.204 502 H LEU 67 H LEU 67 -6.813 -3.738 -14.054 503 HA LEU 67 HA LEU 67 -8.749 -4.570 -15.936 504 1HB LEU 67 2HB LEU 67 -8.476 -4.518 -13.122 505 2HB LEU 67 3HB LEU 67 -10.009 -3.767 -13.467 506 HG LEU 67 HG LEU 67 -9.205 -6.338 -14.883 507 1HD1 LEU 67 1HD1 LEU 67 -8.807 -6.750 -12.599 508 2HD1 LEU 67 2HD1 LEU 67 -10.390 -6.069 -12.125 509 3HD1 LEU 67 3HD1 LEU 67 -10.311 -7.564 -13.101 510 1HD2 LEU 67 1HD2 LEU 67 -11.899 -5.169 -14.015 511 2HD2 LEU 67 2HD2 LEU 67 -11.258 -5.111 -15.672 512 3HD2 LEU 67 3HD2 LEU 67 -11.653 -6.667 -14.930 513 H GLY 68 H GLY 68 -7.834 -1.338 -15.124 514 1HA GLY 68 2HA GLY 68 -8.550 0.577 -16.163 515 2HA GLY 68 3HA GLY 68 -10.004 -0.230 -16.767 516 H TYR 69 H TYR 69 -8.939 -0.354 -13.380 517 HA TYR 69 HA TYR 69 -11.199 1.430 -12.541 518 1HB TYR 69 2HB TYR 69 -9.981 -1.032 -11.255 519 2HB TYR 69 3HB TYR 69 -10.955 0.127 -10.357 520 HD1 TYR 69 HD1 TYR 69 -13.266 -0.279 -10.160 521 HD2 TYR 69 HD2 TYR 69 -11.142 -1.912 -13.531 522 HE1 TYR 69 HE1 TYR 69 -15.312 -1.432 -10.900 523 HE2 TYR 69 HE2 TYR 69 -13.176 -3.097 -14.251 524 HH TYR 69 HH TYR 69 -16.287 -2.713 -12.580 525 H HIS 70 H HIS 70 -10.505 2.301 -10.168 526 HA HIS 70 HA HIS 70 -7.668 3.111 -10.216 527 1HB HIS 70 2HB HIS 70 -9.763 4.828 -11.136 528 2HB HIS 70 3HB HIS 70 -9.385 5.369 -9.505 529 HD1 HIS 70 1HD HIS 70 -6.699 6.105 -9.128 530 HD2 HIS 70 2HD HIS 70 -8.069 5.406 -13.054 531 HE1 HIS 70 1HE HIS 70 -4.965 7.112 -10.705 532 H VAL 71 H VAL 71 -6.910 3.689 -8.151 533 HA VAL 71 HA VAL 71 -8.647 2.867 -5.893 534 HB VAL 71 HB VAL 71 -6.487 2.346 -4.792 535 1HG1 VAL 71 1HG1 VAL 71 -6.175 0.177 -5.900 536 2HG1 VAL 71 2HG1 VAL 71 -7.894 0.579 -5.744 537 3HG1 VAL 71 3HG1 VAL 71 -7.077 0.756 -7.314 538 1HG2 VAL 71 1HG2 VAL 71 -4.455 2.010 -6.072 539 2HG2 VAL 71 2HG2 VAL 71 -5.249 2.479 -7.581 540 3HG2 VAL 71 3HG2 VAL 71 -4.972 3.685 -6.309 541 H VAL 72 H VAL 72 -8.680 4.112 -4.039 542 HA VAL 72 HA VAL 72 -8.040 6.966 -4.522 543 HB VAL 72 HB VAL 72 -9.512 5.575 -2.251 544 1HG1 VAL 72 1HG1 VAL 72 -8.749 7.827 -1.533 545 2HG1 VAL 72 2HG1 VAL 72 -9.360 8.522 -3.048 546 3HG1 VAL 72 3HG1 VAL 72 -10.478 7.843 -1.848 547 1HG2 VAL 72 1HG2 VAL 72 -10.461 6.904 -4.822 548 2HG2 VAL 72 2HG2 VAL 72 -10.742 5.225 -4.303 549 3HG2 VAL 72 3HG2 VAL 72 -11.535 6.558 -3.465 550 H THR 73 H THR 73 -5.746 5.884 -4.634 551 HA THR 73 HA THR 73 -4.476 5.839 -1.934 552 HB THR 73 HB THR 73 -3.715 4.105 -4.299 553 HG1 THR 73 1HG THR 73 -4.907 2.488 -3.304 554 1HG2 THR 73 1HG2 THR 73 -2.476 2.817 -2.740 555 2HG2 THR 73 2HG2 THR 73 -2.076 4.501 -2.378 556 3HG2 THR 73 3HG2 THR 73 -3.252 3.609 -1.358 557 H GLU 74 H GLU 74 -2.794 7.257 -1.759 558 HA GLU 74 HA GLU 74 -2.090 8.805 -4.229 559 1HB GLU 74 2HB GLU 74 -2.692 9.667 -1.373 560 2HB GLU 74 3HB GLU 74 -1.885 10.716 -2.544 561 1HG GLU 74 2HG GLU 74 -4.628 9.463 -3.028 562 2HG GLU 74 3HG GLU 74 -4.361 11.095 -2.398 563 H LYS 75 H LYS 75 -0.030 9.170 -4.609 564 HA LYS 75 HA LYS 75 2.070 8.000 -2.899 565 1HB LYS 75 2HB LYS 75 3.505 8.114 -4.685 566 2HB LYS 75 3HB LYS 75 1.958 7.540 -5.305 567 1HG LYS 75 2HG LYS 75 1.574 10.085 -5.909 568 2HG LYS 75 3HG LYS 75 3.339 10.175 -5.734 569 1HD LYS 75 2HD LYS 75 3.501 8.199 -7.338 570 2HD LYS 75 3HD LYS 75 1.755 8.393 -7.619 571 1HE LYS 75 2HE LYS 75 2.257 10.849 -8.222 572 2HE LYS 75 3HE LYS 75 3.978 10.436 -8.153 573 1HZ LYS 75 1HZ LYS 75 1.975 9.260 -9.968 574 2HZ LYS 75 2HZ LYS 75 3.158 10.325 -10.379 575 3HZ LYS 75 3HZ LYS 75 3.557 8.803 -9.896 576 H ALA 76 H ALA 76 2.042 9.264 -1.119 577 HA ALA 76 HA ALA 76 2.586 12.213 -1.415 578 1HB ALA 76 1HB ALA 76 2.230 10.465 1.049 579 2HB ALA 76 2HB ALA 76 2.546 12.214 1.058 580 3HB ALA 76 3HB ALA 76 1.038 11.587 0.359 581 H GLU 77 H GLU 77 4.617 13.113 -0.518 582 HA GLU 77 HA GLU 77 6.829 11.108 -0.244 583 1HB GLU 77 2HB GLU 77 6.701 13.775 -1.669 584 2HB GLU 77 3HB GLU 77 8.132 13.366 -0.743 585 1HG GLU 77 2HG GLU 77 7.939 11.057 -2.117 586 2HG GLU 77 3HG GLU 77 7.227 12.175 -3.279 587 H PHE 78 H PHE 78 7.887 11.082 1.607 588 HA PHE 78 HA PHE 78 7.727 13.449 3.415 589 1HB PHE 78 2HB PHE 78 7.625 10.516 4.188 590 2HB PHE 78 3HB PHE 78 7.780 11.838 5.332 591 HD1 PHE 78 1HD PHE 78 5.607 9.637 5.287 592 HD2 PHE 78 2HD PHE 78 5.640 13.696 3.816 593 HE1 PHE 78 1HE PHE 78 3.135 9.697 5.255 594 HE2 PHE 78 2HE PHE 78 3.233 13.600 3.464 595 HZ PHE 78 HZ PHE 78 1.970 11.552 4.072 596 H ASP 79 H ASP 79 9.534 13.961 4.452 597 HA ASP 79 HA ASP 79 12.087 13.048 3.242 598 1HB ASP 79 2HB ASP 79 11.879 15.417 3.140 599 2HB ASP 79 3HB ASP 79 11.028 15.514 4.683 600 H ILE 80 H ILE 80 13.772 12.148 4.667 601 HA ILE 80 HA ILE 80 12.735 11.295 7.341 602 HB ILE 80 HB ILE 80 14.753 9.852 5.649 603 1HG1 ILE 80 2HG1 ILE 80 11.743 9.591 5.366 604 2HG1 ILE 80 3HG1 ILE 80 12.887 10.184 4.148 605 1HG2 ILE 80 1HG2 ILE 80 14.407 9.253 8.063 606 2HG2 ILE 80 2HG2 ILE 80 12.723 8.852 7.692 607 3HG2 ILE 80 3HG2 ILE 80 14.042 7.916 6.972 608 1HD1 ILE 80 1HD1 ILE 80 12.247 7.486 4.781 609 2HD1 ILE 80 2HD1 ILE 80 12.999 8.228 3.343 610 3HD1 ILE 80 3HD1 ILE 80 14.018 7.798 4.717 611 H GLU 81 H GLU 81 13.984 11.831 9.063 612 HA GLU 81 HA GLU 81 16.910 12.290 8.547 613 1HB GLU 81 2HB GLU 81 15.550 13.444 10.901 614 2HB GLU 81 3HB GLU 81 17.109 13.871 10.195 615 1HG GLU 81 2HG GLU 81 15.775 14.687 8.145 616 2HG GLU 81 3HG GLU 81 14.345 14.639 9.179 617 H GLY 82 H GLY 82 18.074 10.700 9.397 618 1HA GLY 82 2HA GLY 82 18.104 9.627 11.869 619 2HA GLY 82 3HA GLY 82 16.827 8.666 11.111 620 H MET 83 H MET 83 17.671 8.141 8.547 621 HA MET 83 HA MET 83 19.566 6.144 9.080 622 1HB MET 83 2HB MET 83 19.612 5.659 6.726 623 2HB MET 83 3HB MET 83 17.938 5.927 7.258 624 1HG MET 83 2HG MET 83 19.408 8.189 5.904 625 2HG MET 83 3HG MET 83 18.780 6.818 5.003 626 1HE MET 83 1HE MET 83 16.092 9.178 3.974 627 2HE MET 83 2HE MET 83 17.872 9.286 4.037 628 3HE MET 83 3HE MET 83 17.085 7.779 3.518 629 H THR 84 H THR 84 21.718 5.963 8.961 630 HA THR 84 HA THR 84 23.360 8.326 8.355 631 HB THR 84 HB THR 84 25.110 6.703 9.260 632 HG1 THR 84 1HG THR 84 24.127 4.872 10.345 633 1HG2 THR 84 1HG2 THR 84 23.934 8.385 10.695 634 2HG2 THR 84 2HG2 THR 84 22.663 7.198 11.040 635 3HG2 THR 84 3HG2 THR 84 24.326 6.906 11.591 636 H CYS 85 H CYS 85 22.802 4.976 7.310 637 HA CYS 85 HA CYS 85 23.322 5.167 4.631 638 1HB CYS 85 2HB CYS 85 25.873 5.531 5.938 639 2HB CYS 85 3HB CYS 85 25.862 3.896 5.290 640 HG CYS 85 HG CYS 85 25.069 4.492 2.905 641 H ALA 86 H ALA 86 24.138 3.294 7.498 642 HA ALA 86 HA ALA 86 24.608 0.829 6.770 643 1HB ALA 86 1HB ALA 86 22.672 1.597 8.995 644 2HB ALA 86 2HB ALA 86 23.467 0.015 8.832 645 3HB ALA 86 3HB ALA 86 24.436 1.477 9.092 646 H ALA 87 H ALA 87 21.180 1.327 7.574 647 HA ALA 87 HA ALA 87 20.013 0.610 5.127 648 1HB ALA 87 1HB ALA 87 19.254 -1.819 5.864 649 2HB ALA 87 2HB ALA 87 20.834 -1.599 5.143 650 3HB ALA 87 3HB ALA 87 20.687 -1.748 6.900 651 H CYS 88 H CYS 88 19.593 2.483 7.296 652 HA CYS 88 HA CYS 88 17.435 1.577 9.005 653 1HB CYS 88 2HB CYS 88 18.652 4.235 8.290 654 2HB CYS 88 3HB CYS 88 17.379 4.069 9.510 655 HG CYS 88 HG CYS 88 18.780 2.460 11.040 656 H ALA 89 H ALA 89 17.824 3.650 6.112 657 HA ALA 89 HA ALA 89 15.098 4.151 5.523 658 1HB ALA 89 1HB ALA 89 15.885 4.554 3.229 659 2HB ALA 89 2HB ALA 89 16.968 5.298 4.414 660 3HB ALA 89 3HB ALA 89 17.438 3.787 3.608 661 H ASN 90 H ASN 90 17.179 1.327 4.809 662 HA ASN 90 HA ASN 90 15.314 0.046 3.088 663 1HB ASN 90 2HB ASN 90 17.416 -1.341 4.769 664 2HB ASN 90 3HB ASN 90 16.639 -1.940 3.308 665 1HD2 ASN 90 1HD2 ASN 90 18.600 -2.223 2.111 666 2HD2 ASN 90 2HD2 ASN 90 19.569 -0.845 1.627 667 H ARG 91 H ARG 91 15.944 -0.200 6.618 668 HA ARG 91 HA ARG 91 13.918 -2.159 7.142 669 1HB ARG 91 2HB ARG 91 15.652 -0.359 8.736 670 2HB ARG 91 3HB ARG 91 14.040 -0.537 9.419 671 1HG ARG 91 2HG ARG 91 15.396 -2.262 10.366 672 2HG ARG 91 3HG ARG 91 14.207 -2.993 9.291 673 1HD ARG 91 2HD ARG 91 16.195 -4.146 8.855 674 2HD ARG 91 3HD ARG 91 16.069 -3.021 7.485 675 HE ARG 91 HE ARG 91 17.552 -1.667 9.410 676 1HH1 ARG 91 2HH2 ARG 91 17.893 -4.518 7.395 677 2HH1 ARG 91 1HH2 ARG 91 19.610 -4.682 7.596 678 1HH2 ARG 91 2HH1 ARG 91 19.831 -1.916 9.840 679 2HH2 ARG 91 1HH1 ARG 91 20.738 -3.138 9.013 680 H ILE 92 H ILE 92 13.738 1.459 7.287 681 HA ILE 92 HA ILE 92 10.929 1.343 7.921 682 HB ILE 92 HB ILE 92 10.821 3.730 7.223 683 1HG1 ILE 92 2HG1 ILE 92 13.569 4.403 7.331 684 2HG1 ILE 92 3HG1 ILE 92 13.318 3.176 6.088 685 1HG2 ILE 92 1HG2 ILE 92 12.073 4.516 9.175 686 2HG2 ILE 92 2HG2 ILE 92 11.128 3.068 9.542 687 3HG2 ILE 92 3HG2 ILE 92 12.887 2.936 9.296 688 1HD1 ILE 92 1HD1 ILE 92 11.504 4.525 5.075 689 2HD1 ILE 92 2HD1 ILE 92 11.793 5.780 6.306 690 3HD1 ILE 92 3HD1 ILE 92 13.056 5.380 5.113 691 H GLU 93 H GLU 93 12.624 1.247 4.778 692 HA GLU 93 HA GLU 93 10.402 1.603 3.071 693 1HB GLU 93 2HB GLU 93 12.796 1.463 2.308 694 2HB GLU 93 3HB GLU 93 12.835 -0.219 2.795 695 1HG GLU 93 2HG GLU 93 10.824 -0.539 1.187 696 2HG GLU 93 3HG GLU 93 11.260 1.057 0.574 697 H LYS 94 H LYS 94 11.927 -1.418 4.346 698 HA LYS 94 HA LYS 94 9.901 -3.134 3.396 699 1HB LYS 94 2HB LYS 94 12.132 -3.392 5.393 700 2HB LYS 94 3HB LYS 94 10.800 -4.541 5.529 701 1HG LYS 94 2HG LYS 94 12.390 -5.569 4.103 702 2HG LYS 94 3HG LYS 94 10.989 -5.115 3.137 703 1HD LYS 94 2HD LYS 94 12.428 -2.919 2.622 704 2HD LYS 94 3HD LYS 94 13.774 -3.913 3.184 705 1HE LYS 94 2HE LYS 94 13.076 -5.656 1.440 706 2HE LYS 94 3HE LYS 94 11.801 -4.533 0.923 707 1HZ LYS 94 1HZ LYS 94 13.550 -2.918 0.443 708 2HZ LYS 94 2HZ LYS 94 14.695 -4.035 0.740 709 3HZ LYS 94 3HZ LYS 94 13.636 -4.248 -0.508 710 H ARG 95 H ARG 95 9.946 -1.166 6.321 711 HA ARG 95 HA ARG 95 7.541 -2.455 7.429 712 1HB ARG 95 2HB ARG 95 8.980 0.160 7.939 713 2HB ARG 95 3HB ARG 95 7.404 -0.141 8.660 714 1HG ARG 95 2HG ARG 95 9.714 -2.104 8.902 715 2HG ARG 95 3HG ARG 95 9.459 -0.762 10.019 716 1HD ARG 95 2HD ARG 95 7.831 -1.904 11.164 717 2HD ARG 95 3HD ARG 95 6.917 -2.119 9.695 718 HE ARG 95 HE ARG 95 7.534 -4.274 9.584 719 1HH1 ARG 95 2HH2 ARG 95 9.949 -2.573 11.463 720 2HH1 ARG 95 1HH2 ARG 95 10.770 -3.990 12.055 721 1HH2 ARG 95 2HH1 ARG 95 8.568 -6.214 10.325 722 2HH2 ARG 95 1HH1 ARG 95 9.961 -6.129 11.353 723 H LEU 96 H LEU 96 7.972 0.796 6.017 724 HA LEU 96 HA LEU 96 5.232 1.385 5.817 725 1HB LEU 96 2HB LEU 96 7.507 2.512 4.176 726 2HB LEU 96 3HB LEU 96 5.859 3.146 4.279 727 HG LEU 96 HG LEU 96 8.009 3.172 6.423 728 1HD1 LEU 96 1HD1 LEU 96 6.066 5.246 5.349 729 2HD1 LEU 96 2HD1 LEU 96 7.394 5.536 6.495 730 3HD1 LEU 96 3HD1 LEU 96 7.752 5.052 4.827 731 1HD2 LEU 96 1HD2 LEU 96 5.030 3.429 6.921 732 2HD2 LEU 96 2HD2 LEU 96 6.169 2.309 7.702 733 3HD2 LEU 96 3HD2 LEU 96 6.282 4.041 8.015 734 H ASN 97 H ASN 97 7.256 -0.358 3.567 735 HA ASN 97 HA ASN 97 6.040 -0.720 1.246 736 1HB ASN 97 2HB ASN 97 7.852 -2.197 2.476 737 2HB ASN 97 3HB ASN 97 6.497 -3.194 2.959 738 1HD2 ASN 97 1HD2 ASN 97 8.474 -1.981 0.304 739 2HD2 ASN 97 2HD2 ASN 97 7.947 -3.161 -0.881 740 H LYS 98 H LYS 98 4.713 -1.992 4.304 741 HA LYS 98 HA LYS 98 2.004 -2.022 3.288 742 1HB LYS 98 2HB LYS 98 1.661 -4.472 3.720 743 2HB LYS 98 3HB LYS 98 2.457 -4.048 2.209 744 1HG LYS 98 2HG LYS 98 4.458 -4.952 2.761 745 2HG LYS 98 3HG LYS 98 4.345 -4.570 4.479 746 1HD LYS 98 2HD LYS 98 2.406 -6.564 3.418 747 2HD LYS 98 3HD LYS 98 4.106 -7.091 3.542 748 1HE LYS 98 2HE LYS 98 4.129 -6.499 5.937 749 2HE LYS 98 3HE LYS 98 2.469 -5.892 5.833 750 1HZ LYS 98 1HZ LYS 98 1.686 -8.065 5.404 751 2HZ LYS 98 2HZ LYS 98 3.213 -8.700 5.408 752 3HZ LYS 98 3HZ LYS 98 2.571 -8.062 6.775 753 H ILE 99 H ILE 99 2.425 -0.493 5.215 754 HA ILE 99 HA ILE 99 2.403 -1.751 7.839 755 HB ILE 99 HB ILE 99 1.744 0.998 6.786 756 1HG1 ILE 99 2HG1 ILE 99 4.103 0.139 7.204 757 2HG1 ILE 99 3HG1 ILE 99 3.661 1.681 7.952 758 1HG2 ILE 99 1HG2 ILE 99 0.074 0.841 8.478 759 2HG2 ILE 99 2HG2 ILE 99 1.177 0.029 9.608 760 3HG2 ILE 99 3HG2 ILE 99 1.428 1.732 9.165 761 1HD1 ILE 99 1HD1 ILE 99 3.751 -0.996 9.421 762 2HD1 ILE 99 2HD1 ILE 99 5.008 0.248 9.442 763 3HD1 ILE 99 3HD1 ILE 99 3.422 0.597 10.137 764 H GLU 100 H GLU 100 -0.215 -0.264 5.907 765 HA GLU 100 HA GLU 100 -1.967 -2.493 6.534 766 1HB GLU 100 2HB GLU 100 -2.144 -0.106 8.118 767 2HB GLU 100 3HB GLU 100 -3.586 -0.111 7.117 768 1HG GLU 100 2HG GLU 100 -2.693 -2.474 8.779 769 2HG GLU 100 3HG GLU 100 -3.883 -1.257 9.256 770 H GLY 101 H GLY 101 -3.627 0.345 5.360 771 1HA GLY 101 2HA GLY 101 -3.847 -0.849 2.747 772 2HA GLY 101 3HA GLY 101 -4.608 0.640 3.326 773 H VAL 102 H VAL 102 -1.274 -0.516 2.877 774 HA VAL 102 HA VAL 102 -0.531 1.944 1.342 775 HB VAL 102 HB VAL 102 1.362 -0.016 2.627 776 1HG1 VAL 102 1HG1 VAL 102 1.772 1.892 0.671 777 2HG1 VAL 102 2HG1 VAL 102 2.160 2.796 2.133 778 3HG1 VAL 102 3HG1 VAL 102 3.007 1.288 1.745 779 1HG2 VAL 102 1HG2 VAL 102 0.358 2.624 3.771 780 2HG2 VAL 102 2HG2 VAL 102 0.092 1.017 4.455 781 3HG2 VAL 102 3HG2 VAL 102 1.731 1.690 4.392 782 H ALA 103 H ALA 103 -0.255 1.678 -0.775 783 HA ALA 103 HA ALA 103 -0.360 -0.991 -1.982 784 1HB ALA 103 1HB ALA 103 -0.154 1.817 -3.027 785 2HB ALA 103 2HB ALA 103 0.013 0.401 -4.082 786 3HB ALA 103 3HB ALA 103 -1.507 0.704 -3.228 787 H ASN 104 H ASN 104 1.919 1.792 -1.607 788 HA ASN 104 HA ASN 104 4.234 -0.046 -1.811 789 1HB ASN 104 2HB ASN 104 3.778 2.202 -3.849 790 2HB ASN 104 3HB ASN 104 5.295 1.357 -3.588 791 1HD2 ASN 104 1HD2 ASN 104 2.194 1.191 -5.155 792 2HD2 ASN 104 2HD2 ASN 104 2.509 -0.364 -5.927 793 H ALA 105 H ALA 105 6.292 1.148 -1.496 794 HA ALA 105 HA ALA 105 6.145 3.809 -0.468 795 1HB ALA 105 1HB ALA 105 6.785 1.659 1.570 796 2HB ALA 105 2HB ALA 105 6.862 3.410 1.837 797 3HB ALA 105 3HB ALA 105 5.297 2.631 1.540 798 HA PRO 106 HA PRO 106 10.316 2.259 -1.907 799 1HB PRO 106 2HB PRO 106 10.714 3.813 -4.124 800 2HB PRO 106 3HB PRO 106 9.780 2.290 -4.141 801 1HG PRO 106 2HG PRO 106 8.744 5.107 -4.009 802 2HG PRO 106 3HG PRO 106 8.135 3.767 -5.011 803 1HD PRO 106 2HD PRO 106 6.953 4.469 -2.613 804 2HD PRO 106 3HD PRO 106 7.000 2.793 -3.218 805 H VAL 107 H VAL 107 12.264 3.181 -1.343 806 HA VAL 107 HA VAL 107 12.215 5.949 -0.251 807 HB VAL 107 HB VAL 107 13.919 5.265 1.295 808 1HG1 VAL 107 1HG1 VAL 107 11.603 3.284 1.353 809 2HG1 VAL 107 2HG1 VAL 107 12.607 3.798 2.729 810 3HG1 VAL 107 3HG1 VAL 107 11.557 4.956 1.914 811 1HG2 VAL 107 1HG2 VAL 107 15.123 3.551 0.000 812 2HG2 VAL 107 2HG2 VAL 107 14.616 2.916 1.566 813 3HG2 VAL 107 3HG2 VAL 107 13.722 2.462 0.103 814 H ASN 108 H ASN 108 14.032 7.291 -0.523 815 HA ASN 108 HA ASN 108 15.834 6.588 -2.807 816 1HB ASN 108 2HB ASN 108 14.711 9.227 -1.800 817 2HB ASN 108 3HB ASN 108 16.054 9.102 -2.940 818 1HD2 ASN 108 1HD2 ASN 108 15.623 8.730 -5.147 819 2HD2 ASN 108 2HD2 ASN 108 13.996 8.456 -5.744 820 H PHE 109 H PHE 109 17.985 6.940 -2.533 821 HA PHE 109 HA PHE 109 18.965 7.583 0.214 822 1HB PHE 109 2HB PHE 109 19.476 5.415 -1.594 823 2HB PHE 109 3HB PHE 109 20.934 6.380 -1.539 824 HD1 PHE 109 1HD PHE 109 18.941 3.932 0.203 825 HD2 PHE 109 2HD PHE 109 21.812 7.096 0.811 826 HE1 PHE 109 1HE PHE 109 19.378 3.099 2.472 827 HE2 PHE 109 2HE PHE 109 22.132 6.363 3.125 828 HZ PHE 109 HZ PHE 109 20.992 4.286 3.961 829 H ALA 110 H ALA 110 18.450 9.203 -2.513 830 HA ALA 110 HA ALA 110 21.015 10.760 -2.448 831 1HB ALA 110 1HB ALA 110 20.516 9.658 -4.604 832 2HB ALA 110 2HB ALA 110 18.941 10.487 -4.661 833 3HB ALA 110 3HB ALA 110 20.446 11.428 -4.732 834 H LEU 111 H LEU 111 17.589 10.876 -1.857 835 HA LEU 111 HA LEU 111 17.642 13.853 -1.575 836 1HB LEU 111 2HB LEU 111 15.167 12.143 -1.868 837 2HB LEU 111 3HB LEU 111 15.336 13.889 -2.077 838 HG LEU 111 HG LEU 111 16.314 11.693 -3.955 839 1HD1 LEU 111 1HD1 LEU 111 13.872 12.079 -3.926 840 2HD1 LEU 111 2HD1 LEU 111 14.139 13.804 -4.254 841 3HD1 LEU 111 3HD1 LEU 111 14.596 12.586 -5.463 842 1HD2 LEU 111 1HD2 LEU 111 16.865 13.564 -5.523 843 2HD2 LEU 111 2HD2 LEU 111 16.500 14.740 -4.243 844 3HD2 LEU 111 3HD2 LEU 111 17.876 13.637 -4.079 845 H GLU 112 H GLU 112 17.999 11.132 0.224 846 HA GLU 112 HA GLU 112 17.037 10.042 1.945 847 1HB GLU 112 2HB GLU 112 17.494 12.908 2.897 848 2HB GLU 112 3HB GLU 112 17.299 11.526 3.968 849 1HG GLU 112 2HG GLU 112 19.598 11.680 3.754 850 2HG GLU 112 3HG GLU 112 19.240 10.404 2.596 851 H THR 113 H THR 113 14.963 10.416 0.349 852 HA THR 113 HA THR 113 12.732 11.090 2.217 853 HB THR 113 HB THR 113 11.407 11.988 0.521 854 HG1 THR 113 1HG THR 113 11.764 11.835 -1.504 855 1HG2 THR 113 1HG2 THR 113 12.401 14.011 0.735 856 2HG2 THR 113 2HG2 THR 113 13.737 13.231 1.502 857 3HG2 THR 113 3HG2 THR 113 13.789 13.527 -0.247 858 H VAL 114 H VAL 114 10.761 10.047 1.858 859 HA VAL 114 HA VAL 114 10.884 7.428 0.475 860 HB VAL 114 HB VAL 114 11.058 6.922 2.802 861 1HG1 VAL 114 1HG1 VAL 114 9.470 7.553 4.507 862 2HG1 VAL 114 2HG1 VAL 114 10.152 9.024 3.800 863 3HG1 VAL 114 3HG1 VAL 114 8.517 8.500 3.355 864 1HG2 VAL 114 1HG2 VAL 114 8.129 6.474 2.128 865 2HG2 VAL 114 2HG2 VAL 114 9.433 5.603 1.298 866 3HG2 VAL 114 3HG2 VAL 114 9.225 5.432 3.049 867 H THR 115 H THR 115 9.344 7.185 -1.012 868 HA THR 115 HA THR 115 7.042 9.031 -1.087 869 HB THR 115 HB THR 115 7.910 6.675 -2.786 870 HG1 THR 115 1HG THR 115 8.584 8.284 -4.219 871 1HG2 THR 115 1HG2 THR 115 5.471 7.024 -2.954 872 2HG2 THR 115 2HG2 THR 115 5.741 8.764 -3.208 873 3HG2 THR 115 3HG2 THR 115 6.272 7.585 -4.432 874 H VAL 116 H VAL 116 5.068 8.306 -0.254 875 HA VAL 116 HA VAL 116 4.802 5.458 0.562 876 HB VAL 116 HB VAL 116 5.270 6.768 2.527 877 1HG1 VAL 116 1HG1 VAL 116 4.403 8.997 1.813 878 2HG1 VAL 116 2HG1 VAL 116 2.743 8.381 1.993 879 3HG1 VAL 116 3HG1 VAL 116 3.815 8.454 3.389 880 1HG2 VAL 116 1HG2 VAL 116 3.857 5.522 3.741 881 2HG2 VAL 116 2HG2 VAL 116 2.413 6.275 3.051 882 3HG2 VAL 116 3HG2 VAL 116 3.208 4.945 2.199 883 H GLU 117 H GLU 117 3.277 4.572 -0.611 884 HA GLU 117 HA GLU 117 1.306 6.286 -2.033 885 1HB GLU 117 2HB GLU 117 3.278 5.121 -3.219 886 2HB GLU 117 3HB GLU 117 2.466 3.601 -2.854 887 1HG GLU 117 2HG GLU 117 0.858 5.717 -4.270 888 2HG GLU 117 3HG GLU 117 2.206 4.964 -5.149 889 H TYR 118 H TYR 118 -0.347 6.205 -0.562 890 HA TYR 118 HA TYR 118 -1.407 3.553 0.189 891 1HB TYR 118 2HB TYR 118 -1.149 3.814 2.489 892 2HB TYR 118 3HB TYR 118 0.416 4.334 1.874 893 HD1 TYR 118 HD1 TYR 118 -2.304 5.100 4.030 894 HD2 TYR 118 HD2 TYR 118 0.581 7.004 1.448 895 HE1 TYR 118 HE1 TYR 118 -2.610 7.226 5.241 896 HE2 TYR 118 HE2 TYR 118 0.281 9.124 2.675 897 HH TYR 118 HH TYR 118 -0.883 10.214 4.339 898 H ASN 119 H ASN 119 -3.349 3.783 1.594 899 HA ASN 119 HA ASN 119 -5.135 5.599 0.124 900 1HB ASN 119 2HB ASN 119 -5.227 3.016 0.348 901 2HB ASN 119 3HB ASN 119 -5.957 3.316 1.916 902 1HD2 ASN 119 1HD2 ASN 119 -6.380 3.352 -1.569 903 2HD2 ASN 119 2HD2 ASN 119 -8.094 3.664 -1.542 904 HA PRO 120 HA PRO 120 -4.833 7.892 4.038 905 1HB PRO 120 2HB PRO 120 -5.736 10.340 3.286 906 2HB PRO 120 3HB PRO 120 -4.181 9.676 2.712 907 1HG PRO 120 2HG PRO 120 -6.856 9.559 1.280 908 2HG PRO 120 3HG PRO 120 -5.306 10.177 0.634 909 1HD PRO 120 2HD PRO 120 -6.128 7.643 0.176 910 2HD PRO 120 3HD PRO 120 -4.402 8.001 0.484 911 H LYS 121 H LYS 121 -7.462 6.441 2.896 912 HA LYS 121 HA LYS 121 -9.513 7.615 4.748 913 1HB LYS 121 2HB LYS 121 -11.036 6.842 3.429 914 2HB LYS 121 3HB LYS 121 -9.775 6.798 2.220 915 1HG LYS 121 2HG LYS 121 -10.645 4.753 1.966 916 2HG LYS 121 3HG LYS 121 -9.372 4.313 3.075 917 1HD LYS 121 2HD LYS 121 -11.002 4.496 4.975 918 2HD LYS 121 3HD LYS 121 -12.253 4.977 3.872 919 1HE LYS 121 2HE LYS 121 -10.958 2.459 2.964 920 2HE LYS 121 3HE LYS 121 -11.336 2.333 4.678 921 1HZ LYS 121 1HZ LYS 121 -13.334 2.862 2.591 922 2HZ LYS 121 2HZ LYS 121 -13.027 1.425 3.307 923 3HZ LYS 121 3HZ LYS 121 -13.607 2.671 4.210 924 H GLU 122 H GLU 122 -7.215 4.971 4.218 925 HA GLU 122 HA GLU 122 -8.477 3.332 6.299 926 1HB GLU 122 2HB GLU 122 -7.535 2.699 3.850 927 2HB GLU 122 3HB GLU 122 -6.027 2.518 4.763 928 1HG GLU 122 2HG GLU 122 -6.983 0.381 4.842 929 2HG GLU 122 3HG GLU 122 -7.520 1.046 6.382 930 H ALA 123 H ALA 123 -5.626 5.347 5.728 931 HA ALA 123 HA ALA 123 -4.968 5.232 8.594 932 1HB ALA 123 1HB ALA 123 -2.854 4.612 6.481 933 2HB ALA 123 2HB ALA 123 -2.583 4.776 8.229 934 3HB ALA 123 3HB ALA 123 -3.549 3.431 7.614 935 H SER 124 H SER 124 -2.728 6.863 8.622 936 HA SER 124 HA SER 124 -3.024 9.043 6.734 937 1HB SER 124 2HB SER 124 -4.866 9.580 8.280 938 2HB SER 124 3HB SER 124 -3.737 9.530 9.653 939 HG SER 124 HG SER 124 -4.125 11.667 8.762 940 H VAL 125 H VAL 125 -1.553 10.880 7.582 941 HA VAL 125 HA VAL 125 1.115 9.892 7.565 942 HB VAL 125 HB VAL 125 0.175 12.661 8.459 943 1HG1 VAL 125 1HG1 VAL 125 2.782 11.621 7.269 944 2HG1 VAL 125 2HG1 VAL 125 2.386 13.338 7.477 945 3HG1 VAL 125 3HG1 VAL 125 2.546 12.292 8.893 946 1HG2 VAL 125 1HG2 VAL 125 0.619 13.186 5.963 947 2HG2 VAL 125 2HG2 VAL 125 0.500 11.429 5.711 948 3HG2 VAL 125 3HG2 VAL 125 -0.880 12.338 6.343 949 H SER 126 H SER 126 -0.966 10.971 10.290 950 HA SER 126 HA SER 126 0.778 10.899 12.385 951 1HB SER 126 2HB SER 126 -1.997 9.673 12.494 952 2HB SER 126 3HB SER 126 -1.167 10.673 13.705 953 HG SER 126 HG SER 126 -2.674 11.926 12.519 954 H ASP 127 H ASP 127 -0.737 8.082 10.747 955 HA ASP 127 HA ASP 127 0.035 6.075 12.672 956 1HB ASP 127 2HB ASP 127 -1.803 5.852 10.987 957 2HB ASP 127 3HB ASP 127 -0.601 5.873 9.684 958 H LEU 128 H LEU 128 1.287 7.272 9.628 959 HA LEU 128 HA LEU 128 3.486 5.486 9.305 960 1HB LEU 128 2HB LEU 128 2.951 8.231 8.165 961 2HB LEU 128 3HB LEU 128 4.231 7.160 7.604 962 HG LEU 128 HG LEU 128 1.273 6.409 7.667 963 1HD1 LEU 128 1HD1 LEU 128 2.971 7.372 5.368 964 2HD1 LEU 128 2HD1 LEU 128 1.313 6.733 5.225 965 3HD1 LEU 128 3HD1 LEU 128 1.597 8.233 6.118 966 1HD2 LEU 128 1HD2 LEU 128 2.012 4.628 6.023 967 2HD2 LEU 128 2HD2 LEU 128 3.689 5.142 6.281 968 3HD2 LEU 128 3HD2 LEU 128 2.754 4.394 7.601 969 H LYS 129 H LYS 129 3.240 8.770 10.632 970 HA LYS 129 HA LYS 129 5.932 9.083 11.542 971 1HB LYS 129 2HB LYS 129 3.259 10.052 12.633 972 2HB LYS 129 3HB LYS 129 4.785 10.446 13.387 973 1HG LYS 129 2HG LYS 129 5.067 10.950 10.544 974 2HG LYS 129 3HG LYS 129 3.504 11.551 11.033 975 1HD LYS 129 2HD LYS 129 5.049 13.347 11.237 976 2HD LYS 129 3HD LYS 129 4.571 12.905 12.870 977 1HE LYS 129 2HE LYS 129 7.178 11.975 11.533 978 2HE LYS 129 3HE LYS 129 7.038 13.484 12.424 979 1HZ LYS 129 1HZ LYS 129 6.820 10.759 13.585 980 2HZ LYS 129 2HZ LYS 129 7.914 11.861 13.893 981 3HZ LYS 129 3HZ LYS 129 6.385 12.111 14.392 982 H GLU 130 H GLU 130 3.061 7.792 13.377 983 HA GLU 130 HA GLU 130 4.516 7.139 15.652 984 1HB GLU 130 2HB GLU 130 1.951 7.020 15.046 985 2HB GLU 130 3HB GLU 130 2.265 5.307 14.773 986 1HG GLU 130 2HG GLU 130 3.128 6.675 17.368 987 2HG GLU 130 3HG GLU 130 1.441 6.271 17.082 988 H ALA 131 H ALA 131 4.070 5.187 12.720 989 HA ALA 131 HA ALA 131 5.406 2.834 13.601 990 1HB ALA 131 1HB ALA 131 5.565 2.293 11.214 991 2HB ALA 131 2HB ALA 131 3.957 2.937 11.609 992 3HB ALA 131 3HB ALA 131 5.145 3.962 10.781 993 H VAL 132 H VAL 132 6.712 5.692 11.736 994 HA VAL 132 HA VAL 132 9.337 4.505 11.612 995 HB VAL 132 HB VAL 132 8.313 7.284 11.016 996 1HG1 VAL 132 1HG1 VAL 132 10.617 7.605 11.650 997 2HG1 VAL 132 2HG1 VAL 132 11.121 6.099 10.850 998 3HG1 VAL 132 3HG1 VAL 132 10.645 7.506 9.889 999 1HG2 VAL 132 1HG2 VAL 132 8.876 6.511 8.677 1000 2HG2 VAL 132 2HG2 VAL 132 9.283 4.919 9.324 1001 3HG2 VAL 132 3HG2 VAL 132 7.619 5.522 9.438 1002 H ASP 133 H ASP 133 7.711 6.781 13.831 1003 HA ASP 133 HA ASP 133 9.934 7.483 15.364 1004 1HB ASP 133 2HB ASP 133 6.951 7.341 15.902 1005 2HB ASP 133 3HB ASP 133 8.107 7.853 17.117 1006 H LYS 134 H LYS 134 7.598 4.726 15.713 1007 HA LYS 134 HA LYS 134 8.973 3.419 17.841 1008 1HB LYS 134 2HB LYS 134 7.073 2.490 15.691 1009 2HB LYS 134 3HB LYS 134 8.011 1.292 16.586 1010 1HG LYS 134 2HG LYS 134 7.144 2.230 18.739 1011 2HG LYS 134 3HG LYS 134 6.206 3.404 17.807 1012 1HD LYS 134 2HD LYS 134 4.711 1.631 18.434 1013 2HD LYS 134 3HD LYS 134 4.945 1.634 16.702 1014 1HE LYS 134 2HE LYS 134 4.907 -0.663 17.498 1015 2HE LYS 134 3HE LYS 134 6.517 -0.313 16.880 1016 1HZ LYS 134 1HZ LYS 134 7.231 0.010 19.170 1017 2HZ LYS 134 2HZ LYS 134 5.716 -0.337 19.718 1018 3HZ LYS 134 3HZ LYS 134 6.600 -1.491 18.952 1019 H LEU 135 H LEU 135 9.518 3.135 14.291 1020 HA LEU 135 HA LEU 135 11.654 1.209 14.519 1021 1HB LEU 135 2HB LEU 135 10.786 3.181 12.430 1022 2HB LEU 135 3HB LEU 135 12.374 2.479 12.285 1023 HG LEU 135 HG LEU 135 10.499 1.368 10.999 1024 1HD1 LEU 135 1HD1 LEU 135 12.165 -0.411 12.809 1025 2HD1 LEU 135 2HD1 LEU 135 11.464 -0.831 11.228 1026 3HD1 LEU 135 3HD1 LEU 135 12.732 0.393 11.327 1027 1HD2 LEU 135 1HD2 LEU 135 9.769 0.232 13.739 1028 2HD2 LEU 135 2HD2 LEU 135 8.759 1.238 12.678 1029 3HD2 LEU 135 3HD2 LEU 135 9.211 -0.388 12.192 1030 H GLY 136 H GLY 136 11.597 4.655 15.165 1031 1HA GLY 136 2HA GLY 136 13.093 5.611 16.676 1032 2HA GLY 136 3HA GLY 136 14.292 4.353 16.360 1033 H TYR 137 H TYR 137 12.498 6.394 14.029 1034 HA TYR 137 HA TYR 137 14.834 8.124 13.543 1035 1HB TYR 137 2HB TYR 137 13.266 6.924 11.243 1036 2HB TYR 137 3HB TYR 137 14.742 7.858 11.155 1037 HD1 TYR 137 HD1 TYR 137 16.855 6.699 12.421 1038 HD2 TYR 137 HD2 TYR 137 13.308 4.593 11.191 1039 HE1 TYR 137 HE1 TYR 137 18.059 4.552 12.618 1040 HE2 TYR 137 HE2 TYR 137 14.539 2.449 11.307 1041 HH TYR 137 HH TYR 137 16.428 1.432 12.184 1042 H LYS 138 H LYS 138 13.767 10.064 11.959 1043 HA LYS 138 HA LYS 138 10.874 10.275 12.719 1044 1HB LYS 138 2HB LYS 138 11.141 12.503 13.357 1045 2HB LYS 138 3HB LYS 138 12.524 11.673 14.095 1046 1HG LYS 138 2HG LYS 138 13.776 12.358 11.906 1047 2HG LYS 138 3HG LYS 138 12.396 13.454 11.681 1048 1HD LYS 138 2HD LYS 138 12.877 14.290 14.036 1049 2HD LYS 138 3HD LYS 138 14.376 13.317 14.003 1050 1HE LYS 138 2HE LYS 138 15.465 14.725 12.597 1051 2HE LYS 138 3HE LYS 138 14.023 14.836 11.556 1052 1HZ LYS 138 1HZ LYS 138 14.580 16.837 12.133 1053 2HZ LYS 138 2HZ LYS 138 13.204 16.559 12.996 1054 3HZ LYS 138 3HZ LYS 138 14.679 16.587 13.776 1055 H LEU 139 H LEU 139 9.518 11.084 11.225 1056 HA LEU 139 HA LEU 139 10.529 11.518 8.464 1057 1HB LEU 139 2HB LEU 139 7.739 11.078 9.555 1058 2HB LEU 139 3HB LEU 139 8.095 11.518 7.886 1059 HG LEU 139 HG LEU 139 9.076 8.990 9.259 1060 1HD1 LEU 139 1HD1 LEU 139 7.372 7.938 7.708 1061 2HD1 LEU 139 2HD1 LEU 139 6.669 8.973 8.968 1062 3HD1 LEU 139 3HD1 LEU 139 6.834 9.579 7.304 1063 1HD2 LEU 139 1HD2 LEU 139 9.239 9.931 6.351 1064 2HD2 LEU 139 2HD2 LEU 139 10.604 9.616 7.441 1065 3HD2 LEU 139 3HD2 LEU 139 9.593 8.279 6.898 1066 H LYS 140 H LYS 140 9.833 13.293 7.313 1067 HA LYS 140 HA LYS 140 8.509 15.594 8.609 1068 1HB LYS 140 2HB LYS 140 11.124 15.598 7.047 1069 2HB LYS 140 3HB LYS 140 10.125 17.031 7.209 1070 1HG LYS 140 2HG LYS 140 10.364 16.624 9.813 1071 2HG LYS 140 3HG LYS 140 11.611 15.470 9.327 1072 1HD LYS 140 2HD LYS 140 12.902 17.332 9.662 1073 2HD LYS 140 3HD LYS 140 12.642 17.432 7.935 1074 1HE LYS 140 2HE LYS 140 11.180 18.985 10.152 1075 2HE LYS 140 3HE LYS 140 12.436 19.623 9.084 1076 1HZ LYS 140 1HZ LYS 140 9.770 18.728 8.254 1077 2HZ LYS 140 2HZ LYS 140 10.294 20.285 8.322 1078 3HZ LYS 140 3HZ LYS 140 10.950 19.238 7.226 1079 H LEU 141 H LEU 141 7.958 17.151 6.656 1080 HA LEU 141 HA LEU 141 6.695 15.471 4.566 1081 1HB LEU 141 2HB LEU 141 6.155 18.391 5.165 1082 2HB LEU 141 3HB LEU 141 5.178 17.233 4.271 1083 HG LEU 141 HG LEU 141 4.046 17.579 6.251 1084 1HD1 LEU 141 1HD1 LEU 141 5.580 15.000 6.791 1085 2HD1 LEU 141 2HD1 LEU 141 3.998 15.457 7.436 1086 3HD1 LEU 141 3HD1 LEU 141 4.194 15.185 5.695 1087 1HD2 LEU 141 1HD2 LEU 141 5.939 18.675 7.504 1088 2HD2 LEU 141 2HD2 LEU 141 4.830 17.680 8.458 1089 3HD2 LEU 141 3HD2 LEU 141 6.425 17.056 8.059 1090 H LYS 142 H LYS 142 7.171 15.843 2.323 1091 HA LYS 142 HA LYS 142 9.760 17.135 1.896 1092 1HB LYS 142 2HB LYS 142 8.056 15.145 0.667 1093 2HB LYS 142 3HB LYS 142 8.478 16.227 -0.594 1094 1HG LYS 142 2HG LYS 142 10.718 15.292 1.168 1095 2HG LYS 142 3HG LYS 142 9.915 14.075 0.215 1096 1HD LYS 142 2HD LYS 142 11.652 14.723 -1.174 1097 2HD LYS 142 3HD LYS 142 10.245 15.442 -1.885 1098 1HE LYS 142 2HE LYS 142 11.936 17.016 0.125 1099 2HE LYS 142 3HE LYS 142 12.512 16.817 -1.529 1100 1HZ LYS 142 1HZ LYS 142 9.856 17.967 -0.928 1101 2HZ LYS 142 2HZ LYS 142 11.222 18.849 -1.165 1102 3HZ LYS 142 3HZ LYS 142 10.626 17.899 -2.368 1103 H GLY 143 H GLY 143 8.249 19.189 2.719 1104 1HA GLY 143 2HA GLY 143 7.458 21.294 2.135 1105 2HA GLY 143 3HA GLY 143 8.075 21.037 0.486 1106 H GLU 144 H GLU 144 5.831 18.792 1.987 1107 HA GLU 144 HA GLU 144 3.942 18.982 -0.176 1108 1HB GLU 144 2HB GLU 144 3.670 17.705 2.581 1109 2HB GLU 144 3HB GLU 144 2.617 17.405 1.203 1110 1HG GLU 144 2HG GLU 144 5.585 16.804 0.930 1111 2HG GLU 144 3HG GLU 144 4.509 15.696 1.791 1112 H GLN 145 H GLN 145 4.327 20.401 2.943 1113 HA GLN 145 HA GLN 145 1.721 21.469 3.352 1114 1HB GLN 145 2HB GLN 145 3.878 21.210 4.908 1115 2HB GLN 145 3HB GLN 145 4.210 22.865 4.388 1116 1HG GLN 145 2HG GLN 145 1.985 23.554 5.257 1117 2HG GLN 145 3HG GLN 145 1.639 21.871 5.687 1118 1HE2 GLN 145 1HE2 GLN 145 1.311 23.136 7.844 1119 2HE2 GLN 145 2HE2 GLN 145 2.729 23.180 8.879 1120 H ASP 146 H ASP 146 4.727 23.134 2.294 1121 HA ASP 146 HA ASP 146 3.281 24.934 0.450 1122 1HB ASP 146 2HB ASP 146 4.507 25.847 3.103 1123 2HB ASP 146 3HB ASP 146 4.047 26.913 1.778 1124 H SER 147 H SER 147 5.366 23.057 -0.095 1125 HA SER 147 HA SER 147 7.445 22.899 -1.014 1126 1HB SER 147 2HB SER 147 6.816 25.742 -1.897 1127 2HB SER 147 3HB SER 147 7.928 24.610 -2.680 1128 HG SER 147 HG SER 147 6.010 23.180 -2.844 1129 H ILE 148 H ILE 148 7.704 23.504 1.673 1130 HA ILE 148 HA ILE 148 9.169 24.157 3.264 1131 HB ILE 148 HB ILE 148 11.089 24.339 0.937 1132 1HG1 ILE 148 2HG1 ILE 148 11.040 21.914 2.705 1133 2HG1 ILE 148 3HG1 ILE 148 9.749 22.054 1.528 1134 1HG2 ILE 148 1HG2 ILE 148 11.603 23.914 3.923 1135 2HG2 ILE 148 2HG2 ILE 148 12.831 23.712 2.660 1136 3HG2 ILE 148 3HG2 ILE 148 12.148 25.300 2.966 1137 1HD1 ILE 148 1HD1 ILE 148 12.695 22.204 0.820 1138 2HD1 ILE 148 2HD1 ILE 148 11.624 20.804 0.595 1139 3HD1 ILE 148 3HD1 ILE 148 11.326 22.300 -0.311 1140 H GLU 149 H GLU 149 7.510 26.117 2.993 1141 HA GLU 149 HA GLU 149 8.673 28.588 2.159 1142 1HB GLU 149 2HB GLU 149 6.192 28.107 2.539 1143 2HB GLU 149 3HB GLU 149 6.505 28.316 4.273 1144 1HG GLU 149 2HG GLU 149 7.383 30.618 3.794 1145 2HG GLU 149 3HG GLU 149 7.078 30.356 2.064 1146 H GLY 150 H GLY 150 9.644 30.206 3.388 1147 1HA GLY 150 2HA GLY 150 10.305 30.376 6.082 1148 2HA GLY 150 3HA GLY 150 11.533 29.303 5.368 1149 H ARG 151 H ARG 151 9.889 32.439 4.903 1150 HA ARG 151 HA ARG 151 11.863 33.285 2.896 1151 1HB ARG 151 2HB ARG 151 9.354 33.440 2.628 1152 2HB ARG 151 3HB ARG 151 9.335 34.688 3.879 1153 1HG ARG 151 2HG ARG 151 11.183 34.973 1.491 1154 2HG ARG 151 3HG ARG 151 9.446 35.234 1.268 1155 1HD ARG 151 2HD ARG 151 9.405 36.969 2.956 1156 2HD ARG 151 3HD ARG 151 11.134 36.738 3.307 1157 HE ARG 151 HE ARG 151 11.083 37.167 0.598 1158 1HH1 ARG 151 2HH2 ARG 151 10.117 38.972 3.447 1159 2HH1 ARG 151 1HH2 ARG 151 10.239 40.548 2.721 1160 1HH2 ARG 151 2HH1 ARG 151 11.309 39.225 -0.423 1161 2HH2 ARG 151 1HH1 ARG 151 10.981 40.686 0.451 Start of MODEL 12 1 1H MET 1 H1 MET 1 0.244 -28.355 6.853 2 2H MET 1 H2 MET 1 -0.021 -29.424 5.598 3 3H MET 1 H3 MET 1 1.484 -28.772 5.876 4 HA MET 1 HA MET 1 0.691 -27.470 4.141 5 1HB MET 1 2HB MET 1 -1.888 -27.570 5.754 6 2HB MET 1 3HB MET 1 -1.608 -26.309 4.546 7 1HG MET 1 2HG MET 1 -1.419 -27.874 2.763 8 2HG MET 1 3HG MET 1 -1.375 -29.261 3.862 9 1HE MET 1 1HE MET 1 -3.240 -29.002 1.253 10 2HE MET 1 2HE MET 1 -3.109 -30.444 2.293 11 3HE MET 1 3HE MET 1 -4.708 -29.767 1.904 12 H LEU 2 H LEU 2 1.010 -25.122 4.189 13 HA LEU 2 HA LEU 2 0.967 -23.511 6.491 14 1HB LEU 2 2HB LEU 2 3.220 -25.365 6.323 15 2HB LEU 2 3HB LEU 2 3.824 -23.753 5.994 16 HG LEU 2 HG LEU 2 2.068 -24.330 8.414 17 1HD1 LEU 2 1HD1 LEU 2 3.989 -25.841 8.526 18 2HD1 LEU 2 2HD1 LEU 2 5.102 -24.494 8.200 19 3HD1 LEU 2 3HD1 LEU 2 4.168 -24.537 9.712 20 1HD2 LEU 2 1HD2 LEU 2 2.354 -21.936 7.802 21 2HD2 LEU 2 2HD2 LEU 2 3.217 -22.309 9.299 22 3HD2 LEU 2 3HD2 LEU 2 4.117 -22.147 7.780 23 H SER 3 H SER 3 1.852 -21.372 5.868 24 HA SER 3 HA SER 3 3.224 -20.796 3.502 25 1HB SER 3 2HB SER 3 1.373 -19.641 2.285 26 2HB SER 3 3HB SER 3 1.182 -21.388 2.268 27 HG SER 3 HG SER 3 -0.702 -20.040 2.844 28 H GLU 4 H GLU 4 2.783 -18.175 3.206 29 HA GLU 4 HA GLU 4 2.388 -16.990 5.904 30 1HB GLU 4 2HB GLU 4 4.859 -17.692 5.251 31 2HB GLU 4 3HB GLU 4 4.819 -16.230 4.264 32 1HG GLU 4 2HG GLU 4 4.201 -14.931 6.324 33 2HG GLU 4 3HG GLU 4 4.251 -16.437 7.264 34 H GLN 5 H GLN 5 0.382 -16.735 4.408 35 HA GLN 5 HA GLN 5 0.577 -14.766 2.323 36 1HB GLN 5 2HB GLN 5 -1.989 -15.161 3.852 37 2HB GLN 5 3HB GLN 5 -1.768 -14.860 2.134 38 1HG GLN 5 2HG GLN 5 -1.396 -17.470 3.662 39 2HG GLN 5 3HG GLN 5 -2.655 -17.076 2.514 40 1HE2 GLN 5 1HE2 GLN 5 -0.185 -15.805 0.823 41 2HE2 GLN 5 2HE2 GLN 5 0.738 -17.205 0.323 42 H LYS 6 H LYS 6 -0.406 -12.645 2.308 43 HA LYS 6 HA LYS 6 -0.345 -11.244 4.946 44 1HB LYS 6 2HB LYS 6 0.651 -9.343 3.921 45 2HB LYS 6 3HB LYS 6 1.678 -10.743 3.601 46 1HG LYS 6 2HG LYS 6 1.589 -10.320 1.381 47 2HG LYS 6 3HG LYS 6 -0.096 -10.605 1.364 48 1HD LYS 6 2HD LYS 6 -0.450 -8.531 0.762 49 2HD LYS 6 3HD LYS 6 -0.023 -7.990 2.369 50 1HE LYS 6 2HE LYS 6 2.416 -7.891 1.609 51 2HE LYS 6 3HE LYS 6 1.895 -8.354 0.000 52 1HZ LYS 6 1HZ LYS 6 0.634 -6.387 -0.179 53 2HZ LYS 6 2HZ LYS 6 0.963 -5.904 1.363 54 3HZ LYS 6 3HZ LYS 6 2.164 -5.963 0.241 55 H GLU 7 H GLU 7 -1.999 -9.832 5.261 56 HA GLU 7 HA GLU 7 -4.073 -9.491 3.208 57 1HB GLU 7 2HB GLU 7 -3.996 -8.249 5.974 58 2HB GLU 7 3HB GLU 7 -5.385 -8.607 4.944 59 1HG GLU 7 2HG GLU 7 -5.573 -10.361 6.386 60 2HG GLU 7 3HG GLU 7 -4.465 -11.141 5.260 61 H ILE 8 H ILE 8 -4.636 -7.470 2.343 62 HA ILE 8 HA ILE 8 -3.432 -5.027 3.506 63 HB ILE 8 HB ILE 8 -1.893 -5.336 1.837 64 1HG1 ILE 8 2HG1 ILE 8 -3.040 -3.119 1.632 65 2HG1 ILE 8 3HG1 ILE 8 -2.058 -3.696 0.292 66 1HG2 ILE 8 1HG2 ILE 8 -2.574 -7.248 0.667 67 2HG2 ILE 8 2HG2 ILE 8 -4.056 -6.481 0.069 68 3HG2 ILE 8 3HG2 ILE 8 -2.474 -5.943 -0.530 69 1HD1 ILE 8 1HD1 ILE 8 -4.326 -4.494 -0.814 70 2HD1 ILE 8 2HD1 ILE 8 -5.091 -3.417 0.361 71 3HD1 ILE 8 3HD1 ILE 8 -3.933 -2.805 -0.814 72 H ALA 9 H ALA 9 -5.029 -3.511 3.838 73 HA ALA 9 HA ALA 9 -7.629 -3.842 2.429 74 1HB ALA 9 1HB ALA 9 -8.569 -2.694 4.384 75 2HB ALA 9 2HB ALA 9 -7.780 -4.216 4.846 76 3HB ALA 9 3HB ALA 9 -6.967 -2.664 5.152 77 H MET 10 H MET 10 -8.002 -2.265 0.971 78 HA MET 10 HA MET 10 -7.050 0.489 1.475 79 1HB MET 10 2HB MET 10 -6.301 -1.054 -1.021 80 2HB MET 10 3HB MET 10 -6.297 0.713 -0.902 81 1HG MET 10 2HG MET 10 -4.700 0.595 1.009 82 2HG MET 10 3HG MET 10 -4.684 -1.158 0.880 83 1HE MET 10 1HE MET 10 -2.757 1.681 -2.138 84 2HE MET 10 2HE MET 10 -4.507 1.636 -1.889 85 3HE MET 10 3HE MET 10 -3.433 2.158 -0.561 86 H GLN 11 H GLN 11 -8.177 1.949 -0.341 87 HA GLN 11 HA GLN 11 -10.940 0.893 -0.828 88 1HB GLN 11 2HB GLN 11 -9.870 3.672 -0.335 89 2HB GLN 11 3HB GLN 11 -11.433 3.393 -1.130 90 1HG GLN 11 2HG GLN 11 -12.294 2.222 0.800 91 2HG GLN 11 3HG GLN 11 -10.707 2.191 1.555 92 1HE2 GLN 11 1HE2 GLN 11 -10.949 3.441 3.372 93 2HE2 GLN 11 2HE2 GLN 11 -11.654 5.056 3.362 94 H VAL 12 H VAL 12 -11.944 1.327 -2.841 95 HA VAL 12 HA VAL 12 -10.196 1.958 -5.125 96 HB VAL 12 HB VAL 12 -10.007 -0.443 -4.841 97 1HG1 VAL 12 1HG1 VAL 12 -12.004 -0.911 -3.427 98 2HG1 VAL 12 2HG1 VAL 12 -13.045 -0.511 -4.801 99 3HG1 VAL 12 3HG1 VAL 12 -12.002 -1.933 -4.877 100 1HG2 VAL 12 1HG2 VAL 12 -10.912 -1.248 -6.936 101 2HG2 VAL 12 2HG2 VAL 12 -12.078 0.084 -6.992 102 3HG2 VAL 12 3HG2 VAL 12 -10.332 0.417 -7.148 103 H SER 13 H SER 13 -11.407 2.605 -6.972 104 HA SER 13 HA SER 13 -14.258 3.344 -6.477 105 1HB SER 13 2HB SER 13 -12.203 4.961 -7.971 106 2HB SER 13 3HB SER 13 -13.834 5.458 -7.489 107 HG SER 13 HG SER 13 -12.206 6.306 -6.063 108 H GLY 14 H GLY 14 -15.407 3.829 -8.463 109 1HA GLY 14 2HA GLY 14 -15.803 3.566 -10.804 110 2HA GLY 14 3HA GLY 14 -14.533 2.342 -10.906 111 H MET 15 H MET 15 -15.789 1.526 -8.074 112 HA MET 15 HA MET 15 -17.166 -0.781 -9.002 113 1HB MET 15 2HB MET 15 -17.084 0.558 -6.282 114 2HB MET 15 3HB MET 15 -17.899 -0.982 -6.608 115 1HG MET 15 2HG MET 15 -15.753 -1.912 -7.500 116 2HG MET 15 3HG MET 15 -14.936 -0.428 -6.986 117 1HE MET 15 1HE MET 15 -15.163 -0.557 -3.188 118 2HE MET 15 2HE MET 15 -15.120 0.485 -4.622 119 3HE MET 15 3HE MET 15 -16.685 -0.056 -3.989 120 H THR 16 H THR 16 -18.867 -0.504 -10.234 121 HA THR 16 HA THR 16 -20.948 1.482 -9.663 122 HB THR 16 HB THR 16 -20.783 -0.704 -11.773 123 HG1 THR 16 1HG THR 16 -19.078 1.051 -11.649 124 1HG2 THR 16 1HG2 THR 16 -23.074 0.148 -11.546 125 2HG2 THR 16 2HG2 THR 16 -22.477 1.821 -11.609 126 3HG2 THR 16 3HG2 THR 16 -22.332 0.767 -13.031 127 H CYS 17 H CYS 17 -20.272 -1.879 -8.883 128 HA CYS 17 HA CYS 17 -22.541 -2.147 -7.207 129 1HB CYS 17 2HB CYS 17 -23.601 -2.331 -9.645 130 2HB CYS 17 3HB CYS 17 -22.812 -3.914 -9.670 131 HG CYS 17 HG CYS 17 -24.931 -2.609 -7.501 132 H ALA 18 H ALA 18 -22.769 -4.540 -6.487 133 HA ALA 18 HA ALA 18 -20.431 -5.745 -5.664 134 1HB ALA 18 1HB ALA 18 -23.082 -7.077 -6.341 135 2HB ALA 18 2HB ALA 18 -21.803 -7.754 -5.311 136 3HB ALA 18 3HB ALA 18 -22.663 -6.289 -4.802 137 H ALA 19 H ALA 19 -22.062 -6.141 -8.818 138 HA ALA 19 HA ALA 19 -20.637 -8.379 -9.788 139 1HB ALA 19 1HB ALA 19 -22.579 -7.388 -10.930 140 2HB ALA 19 2HB ALA 19 -21.629 -5.932 -11.312 141 3HB ALA 19 3HB ALA 19 -21.185 -7.499 -12.023 142 H CYS 20 H CYS 20 -19.640 -4.952 -9.572 143 HA CYS 20 HA CYS 20 -17.359 -5.174 -11.358 144 1HB CYS 20 2HB CYS 20 -18.155 -3.134 -9.223 145 2HB CYS 20 3HB CYS 20 -16.733 -2.992 -10.244 146 HG CYS 20 HG CYS 20 -17.828 -2.766 -12.464 147 H ALA 21 H ALA 21 -17.832 -4.855 -7.865 148 HA ALA 21 HA ALA 21 -15.330 -5.515 -6.839 149 1HB ALA 21 1HB ALA 21 -18.169 -6.014 -5.931 150 2HB ALA 21 2HB ALA 21 -16.859 -6.713 -5.003 151 3HB ALA 21 3HB ALA 21 -16.941 -4.953 -5.240 152 H ALA 22 H ALA 22 -17.900 -7.948 -7.532 153 HA ALA 22 HA ALA 22 -16.313 -10.251 -7.131 154 1HB ALA 22 1HB ALA 22 -18.769 -10.259 -7.281 155 2HB ALA 22 2HB ALA 22 -18.673 -9.878 -9.016 156 3HB ALA 22 3HB ALA 22 -18.040 -11.422 -8.404 157 H ARG 23 H ARG 23 -16.648 -8.253 -10.103 158 HA ARG 23 HA ARG 23 -15.189 -10.070 -11.752 159 1HB ARG 23 2HB ARG 23 -16.096 -7.216 -11.923 160 2HB ARG 23 3HB ARG 23 -14.637 -7.578 -12.828 161 1HG ARG 23 2HG ARG 23 -17.271 -9.071 -13.074 162 2HG ARG 23 3HG ARG 23 -16.642 -7.837 -14.182 163 1HD ARG 23 2HD ARG 23 -14.495 -9.621 -13.963 164 2HD ARG 23 3HD ARG 23 -15.857 -10.716 -13.925 165 HE ARG 23 HE ARG 23 -14.785 -9.224 -16.158 166 1HH1 ARG 23 2HH2 ARG 23 -17.867 -10.298 -14.880 167 2HH1 ARG 23 1HH2 ARG 23 -18.670 -10.431 -16.418 168 1HH2 ARG 23 2HH1 ARG 23 -15.803 -9.321 -18.238 169 2HH2 ARG 23 1HH1 ARG 23 -17.450 -9.834 -18.380 170 H ILE 24 H ILE 24 -14.164 -7.353 -9.605 171 HA ILE 24 HA ILE 24 -11.390 -7.580 -10.329 172 HB ILE 24 HB ILE 24 -12.726 -6.515 -7.817 173 1HG1 ILE 24 2HG1 ILE 24 -11.488 -5.010 -10.183 174 2HG1 ILE 24 3HG1 ILE 24 -13.210 -5.369 -10.110 175 1HG2 ILE 24 1HG2 ILE 24 -10.647 -5.418 -7.336 176 2HG2 ILE 24 2HG2 ILE 24 -10.447 -7.166 -7.370 177 3HG2 ILE 24 3HG2 ILE 24 -9.893 -6.190 -8.758 178 1HD1 ILE 24 1HD1 ILE 24 -12.945 -3.158 -9.324 179 2HD1 ILE 24 2HD1 ILE 24 -13.354 -4.153 -7.922 180 3HD1 ILE 24 3HD1 ILE 24 -11.670 -3.609 -8.187 181 H GLU 25 H GLU 25 -13.348 -8.939 -7.584 182 HA GLU 25 HA GLU 25 -11.285 -10.316 -6.327 183 1HB GLU 25 2HB GLU 25 -14.199 -11.166 -6.630 184 2HB GLU 25 3HB GLU 25 -13.054 -11.871 -5.485 185 1HG GLU 25 2HG GLU 25 -12.752 -9.712 -4.367 186 2HG GLU 25 3HG GLU 25 -13.853 -8.943 -5.518 187 H LYS 26 H LYS 26 -13.449 -11.548 -8.944 188 HA LYS 26 HA LYS 26 -12.175 -14.062 -9.123 189 1HB LYS 26 2HB LYS 26 -14.436 -13.697 -9.828 190 2HB LYS 26 3HB LYS 26 -13.921 -12.568 -11.096 191 1HG LYS 26 2HG LYS 26 -12.917 -14.212 -12.381 192 2HG LYS 26 3HG LYS 26 -12.593 -15.263 -11.004 193 1HD LYS 26 2HD LYS 26 -14.136 -16.427 -12.286 194 2HD LYS 26 3HD LYS 26 -14.979 -15.872 -10.833 195 1HE LYS 26 2HE LYS 26 -16.078 -14.079 -12.117 196 2HE LYS 26 3HE LYS 26 -15.118 -14.477 -13.556 197 1HZ LYS 26 1HZ LYS 26 -17.317 -15.422 -13.677 198 2HZ LYS 26 2HZ LYS 26 -16.194 -16.618 -13.627 199 3HZ LYS 26 3HZ LYS 26 -17.086 -16.272 -12.291 200 H GLY 27 H GLY 27 -11.695 -11.007 -10.962 201 1HA GLY 27 2HA GLY 27 -9.841 -11.924 -12.879 202 2HA GLY 27 3HA GLY 27 -9.940 -10.280 -12.219 203 H LEU 28 H LEU 28 -9.324 -10.645 -9.570 204 HA LEU 28 HA LEU 28 -6.438 -10.987 -9.678 205 1HB LEU 28 2HB LEU 28 -8.488 -10.278 -7.531 206 2HB LEU 28 3HB LEU 28 -6.836 -10.653 -7.073 207 HG LEU 28 HG LEU 28 -7.313 -8.179 -7.316 208 1HD1 LEU 28 1HD1 LEU 28 -5.029 -9.197 -7.414 209 2HD1 LEU 28 2HD1 LEU 28 -5.146 -9.206 -9.181 210 3HD1 LEU 28 3HD1 LEU 28 -5.217 -7.669 -8.293 211 1HD2 LEU 28 1HD2 LEU 28 -8.760 -8.181 -9.262 212 2HD2 LEU 28 2HD2 LEU 28 -7.380 -7.128 -9.446 213 3HD2 LEU 28 3HD2 LEU 28 -7.418 -8.698 -10.292 214 H LYS 29 H LYS 29 -9.143 -12.949 -8.463 215 HA LYS 29 HA LYS 29 -7.692 -14.955 -7.209 216 1HB LYS 29 2HB LYS 29 -10.370 -14.627 -7.722 217 2HB LYS 29 3HB LYS 29 -9.966 -15.934 -8.815 218 1HG LYS 29 2HG LYS 29 -10.490 -17.145 -6.934 219 2HG LYS 29 3HG LYS 29 -8.774 -16.928 -6.656 220 1HD LYS 29 2HD LYS 29 -9.633 -16.386 -4.575 221 2HD LYS 29 3HD LYS 29 -9.524 -14.771 -5.291 222 1HE LYS 29 2HE LYS 29 -11.972 -14.899 -5.861 223 2HE LYS 29 3HE LYS 29 -12.031 -16.540 -5.201 224 1HZ LYS 29 1HZ LYS 29 -11.445 -15.441 -2.960 225 2HZ LYS 29 2HZ LYS 29 -11.727 -14.024 -3.678 226 3HZ LYS 29 3HZ LYS 29 -12.902 -15.126 -3.585 227 H ARG 30 H ARG 30 -7.718 -14.125 -10.583 228 HA ARG 30 HA ARG 30 -6.951 -16.658 -11.651 229 1HB ARG 30 2HB ARG 30 -7.952 -14.529 -12.754 230 2HB ARG 30 3HB ARG 30 -6.290 -13.958 -12.884 231 1HG ARG 30 2HG ARG 30 -5.687 -15.634 -14.425 232 2HG ARG 30 3HG ARG 30 -6.938 -16.737 -13.870 233 1HD ARG 30 2HD ARG 30 -8.653 -14.971 -14.828 234 2HD ARG 30 3HD ARG 30 -7.250 -14.278 -15.629 235 HE ARG 30 HE ARG 30 -7.330 -15.965 -17.174 236 1HH1 ARG 30 2HH2 ARG 30 -8.984 -17.065 -14.276 237 2HH1 ARG 30 1HH2 ARG 30 -9.655 -18.503 -14.980 238 1HH2 ARG 30 2HH1 ARG 30 -8.237 -17.854 -18.190 239 2HH2 ARG 30 1HH1 ARG 30 -9.213 -18.950 -17.273 240 H MET 31 H MET 31 -5.133 -14.330 -9.797 241 HA MET 31 HA MET 31 -2.515 -15.084 -10.951 242 1HB MET 31 2HB MET 31 -3.315 -13.422 -8.518 243 2HB MET 31 3HB MET 31 -1.654 -13.737 -9.017 244 1HG MET 31 2HG MET 31 -2.433 -12.883 -11.362 245 2HG MET 31 3HG MET 31 -3.753 -12.128 -10.481 246 1HE MET 31 1HE MET 31 -2.198 -10.296 -12.213 247 2HE MET 31 2HE MET 31 -0.642 -9.651 -11.641 248 3HE MET 31 3HE MET 31 -0.744 -11.319 -12.239 249 HA PRO 32 HA PRO 32 -1.964 -18.599 -8.377 250 1HB PRO 32 2HB PRO 32 0.720 -18.838 -8.075 251 2HB PRO 32 3HB PRO 32 -0.099 -19.036 -9.647 252 1HG PRO 32 2HG PRO 32 1.303 -16.567 -8.602 253 2HG PRO 32 3HG PRO 32 1.480 -17.333 -10.201 254 1HD PRO 32 2HD PRO 32 -0.176 -15.198 -9.815 255 2HD PRO 32 3HD PRO 32 -0.607 -16.515 -10.939 256 H GLY 33 H GLY 33 -0.103 -15.708 -7.153 257 1HA GLY 33 2HA GLY 33 0.306 -16.794 -4.554 258 2HA GLY 33 3HA GLY 33 0.471 -15.103 -5.058 259 H VAL 34 H VAL 34 -2.493 -15.336 -6.018 260 HA VAL 34 HA VAL 34 -3.574 -13.965 -3.773 261 HB VAL 34 HB VAL 34 -4.213 -13.738 -6.194 262 1HG1 VAL 34 1HG1 VAL 34 -6.158 -16.013 -5.791 263 2HG1 VAL 34 2HG1 VAL 34 -5.523 -15.286 -7.292 264 3HG1 VAL 34 3HG1 VAL 34 -4.517 -16.364 -6.334 265 1HG2 VAL 34 1HG2 VAL 34 -5.520 -12.667 -4.430 266 2HG2 VAL 34 2HG2 VAL 34 -6.575 -13.241 -5.732 267 3HG2 VAL 34 3HG2 VAL 34 -6.483 -14.143 -4.203 268 H THR 35 H THR 35 -4.398 -14.623 -1.928 269 HA THR 35 HA THR 35 -4.935 -17.526 -1.535 270 HB THR 35 HB THR 35 -4.903 -15.204 0.415 271 HG1 THR 35 1HG THR 35 -2.880 -16.640 -0.724 272 1HG2 THR 35 1HG2 THR 35 -4.829 -16.933 2.132 273 2HG2 THR 35 2HG2 THR 35 -6.193 -17.297 1.080 274 3HG2 THR 35 3HG2 THR 35 -4.682 -18.211 0.902 275 H ASP 36 H ASP 36 -6.379 -14.257 -0.898 276 HA ASP 36 HA ASP 36 -8.836 -15.121 -2.074 277 1HB ASP 36 2HB ASP 36 -9.079 -16.076 0.264 278 2HB ASP 36 3HB ASP 36 -8.901 -14.430 0.903 279 H ALA 37 H ALA 37 -10.128 -13.402 -2.566 280 HA ALA 37 HA ALA 37 -9.022 -10.651 -2.148 281 1HB ALA 37 1HB ALA 37 -8.456 -11.381 -4.440 282 2HB ALA 37 2HB ALA 37 -10.154 -11.810 -4.731 283 3HB ALA 37 3HB ALA 37 -9.699 -10.112 -4.453 284 H ASN 38 H ASN 38 -10.557 -9.456 -1.091 285 HA ASN 38 HA ASN 38 -13.449 -10.119 -1.470 286 1HB ASN 38 2HB ASN 38 -12.006 -9.287 1.091 287 2HB ASN 38 3HB ASN 38 -13.752 -9.460 0.886 288 1HD2 ASN 38 1HD2 ASN 38 -10.674 -11.225 1.179 289 2HD2 ASN 38 2HD2 ASN 38 -11.433 -12.825 1.278 290 H VAL 39 H VAL 39 -14.615 -8.201 -2.022 291 HA VAL 39 HA VAL 39 -13.534 -5.636 -0.905 292 HB VAL 39 HB VAL 39 -12.594 -5.477 -2.964 293 1HG1 VAL 39 1HG1 VAL 39 -13.230 -7.297 -4.149 294 2HG1 VAL 39 2HG1 VAL 39 -14.951 -6.884 -4.118 295 3HG1 VAL 39 3HG1 VAL 39 -13.812 -5.948 -5.126 296 1HG2 VAL 39 1HG2 VAL 39 -15.292 -4.177 -3.432 297 2HG2 VAL 39 2HG2 VAL 39 -14.010 -3.503 -2.399 298 3HG2 VAL 39 3HG2 VAL 39 -13.718 -3.731 -4.130 299 H ASN 40 H ASN 40 -14.799 -4.792 0.351 300 HA ASN 40 HA ASN 40 -17.716 -5.387 0.274 301 1HB ASN 40 2HB ASN 40 -15.815 -4.198 2.317 302 2HB ASN 40 3HB ASN 40 -17.538 -3.822 2.392 303 1HD2 ASN 40 1HD2 ASN 40 -19.131 -5.626 2.438 304 2HD2 ASN 40 2HD2 ASN 40 -18.633 -7.066 3.299 305 H LEU 41 H LEU 41 -17.997 -4.299 -1.746 306 HA LEU 41 HA LEU 41 -17.621 -1.577 -2.202 307 1HB LEU 41 2HB LEU 41 -19.234 -1.627 -3.852 308 2HB LEU 41 3HB LEU 41 -18.491 -3.212 -3.838 309 HG LEU 41 HG LEU 41 -20.744 -3.463 -4.304 310 1HD1 LEU 41 1HD1 LEU 41 -19.859 -5.181 -2.778 311 2HD1 LEU 41 2HD1 LEU 41 -20.543 -4.300 -1.394 312 3HD1 LEU 41 3HD1 LEU 41 -21.612 -4.962 -2.635 313 1HD2 LEU 41 1HD2 LEU 41 -21.761 -2.067 -1.831 314 2HD2 LEU 41 2HD2 LEU 41 -21.549 -1.271 -3.404 315 3HD2 LEU 41 3HD2 LEU 41 -22.641 -2.653 -3.235 316 H ALA 42 H ALA 42 -19.782 -3.071 0.052 317 HA ALA 42 HA ALA 42 -21.612 -0.985 0.453 318 1HB ALA 42 1HB ALA 42 -21.915 -3.285 1.340 319 2HB ALA 42 2HB ALA 42 -20.560 -3.022 2.471 320 3HB ALA 42 3HB ALA 42 -22.051 -2.074 2.634 321 H THR 43 H THR 43 -18.262 -1.328 1.516 322 HA THR 43 HA THR 43 -18.479 1.363 2.798 323 HB THR 43 HB THR 43 -16.547 0.626 4.268 324 HG1 THR 43 1HG THR 43 -17.488 -1.938 3.488 325 1HG2 THR 43 1HG2 THR 43 -17.999 -0.475 5.917 326 2HG2 THR 43 2HG2 THR 43 -18.866 0.854 5.124 327 3HG2 THR 43 3HG2 THR 43 -19.210 -0.824 4.667 328 H GLU 44 H GLU 44 -17.826 0.119 0.051 329 HA GLU 44 HA GLU 44 -16.374 0.204 -1.583 330 1HB GLU 44 2HB GLU 44 -15.791 2.936 -0.398 331 2HB GLU 44 3HB GLU 44 -15.422 2.429 -2.051 332 1HG GLU 44 2HG GLU 44 -17.835 1.970 -2.460 333 2HG GLU 44 3HG GLU 44 -18.221 2.529 -0.825 334 H THR 45 H THR 45 -15.168 -1.422 0.451 335 HA THR 45 HA THR 45 -12.340 -0.452 0.546 336 HB THR 45 HB THR 45 -13.992 -1.985 2.579 337 HG1 THR 45 1HG THR 45 -13.673 -0.066 3.759 338 1HG2 THR 45 1HG2 THR 45 -11.093 -1.006 2.669 339 2HG2 THR 45 2HG2 THR 45 -11.987 -1.802 3.984 340 3HG2 THR 45 3HG2 THR 45 -11.617 -2.697 2.501 341 H VAL 46 H VAL 46 -10.963 -1.751 -0.468 342 HA VAL 46 HA VAL 46 -11.741 -4.502 -1.191 343 HB VAL 46 HB VAL 46 -11.228 -3.265 -3.131 344 1HG1 VAL 46 1HG1 VAL 46 -9.969 -1.339 -2.293 345 2HG1 VAL 46 2HG1 VAL 46 -8.602 -2.382 -1.844 346 3HG1 VAL 46 3HG1 VAL 46 -9.036 -2.164 -3.542 347 1HG2 VAL 46 1HG2 VAL 46 -10.258 -5.580 -2.915 348 2HG2 VAL 46 2HG2 VAL 46 -9.417 -4.530 -4.075 349 3HG2 VAL 46 3HG2 VAL 46 -8.720 -4.810 -2.469 350 H ASN 47 H ASN 47 -10.860 -6.114 -0.137 351 HA ASN 47 HA ASN 47 -8.475 -5.660 1.567 352 1HB ASN 47 2HB ASN 47 -10.672 -7.650 2.237 353 2HB ASN 47 3HB ASN 47 -9.395 -7.007 3.262 354 1HD2 ASN 47 1HD2 ASN 47 -12.537 -6.372 1.749 355 2HD2 ASN 47 2HD2 ASN 47 -12.951 -5.011 2.775 356 H VAL 48 H VAL 48 -6.856 -6.741 0.430 357 HA VAL 48 HA VAL 48 -7.625 -9.276 -0.988 358 HB VAL 48 HB VAL 48 -5.183 -7.730 -1.776 359 1HG1 VAL 48 1HG1 VAL 48 -7.152 -9.436 -3.366 360 2HG1 VAL 48 2HG1 VAL 48 -5.541 -8.908 -3.874 361 3HG1 VAL 48 3HG1 VAL 48 -5.718 -10.109 -2.583 362 1HG2 VAL 48 1HG2 VAL 48 -6.554 -6.673 -3.604 363 2HG2 VAL 48 2HG2 VAL 48 -8.017 -7.162 -2.725 364 3HG2 VAL 48 3HG2 VAL 48 -6.860 -6.016 -1.993 365 H ILE 49 H ILE 49 -6.569 -11.092 -0.445 366 HA ILE 49 HA ILE 49 -4.331 -10.903 1.456 367 HB ILE 49 HB ILE 49 -6.477 -13.056 1.328 368 1HG1 ILE 49 2HG1 ILE 49 -6.054 -10.782 3.321 369 2HG1 ILE 49 3HG1 ILE 49 -7.401 -10.939 2.187 370 1HG2 ILE 49 1HG2 ILE 49 -4.284 -12.613 3.400 371 2HG2 ILE 49 2HG2 ILE 49 -5.413 -13.983 3.298 372 3HG2 ILE 49 3HG2 ILE 49 -4.157 -13.785 2.086 373 1HD1 ILE 49 1HD1 ILE 49 -8.156 -11.598 4.359 374 2HD1 ILE 49 2HD1 ILE 49 -8.107 -13.037 3.320 375 3HD1 ILE 49 3HD1 ILE 49 -6.843 -12.765 4.549 376 H TYR 50 H TYR 50 -2.470 -11.793 0.607 377 HA TYR 50 HA TYR 50 -2.563 -14.000 -1.318 378 1HB TYR 50 2HB TYR 50 -1.455 -12.743 -3.163 379 2HB TYR 50 3HB TYR 50 -3.080 -12.153 -2.823 380 HD1 TYR 50 HD1 TYR 50 -3.557 -10.021 -1.972 381 HD2 TYR 50 HD2 TYR 50 0.518 -11.290 -2.555 382 HE1 TYR 50 HE1 TYR 50 -2.816 -7.698 -1.804 383 HE2 TYR 50 HE2 TYR 50 1.287 -8.962 -2.201 384 HH TYR 50 HH TYR 50 -0.882 -6.240 -1.818 385 H ASP 51 H ASP 51 -0.273 -14.428 -2.231 386 HA ASP 51 HA ASP 51 1.417 -14.571 0.117 387 1HB ASP 51 2HB ASP 51 0.927 -16.416 -1.656 388 2HB ASP 51 3HB ASP 51 2.180 -15.620 -2.610 389 HA PRO 52 HA PRO 52 3.681 -10.960 -1.395 390 1HB PRO 52 2HB PRO 52 5.391 -10.536 0.716 391 2HB PRO 52 3HB PRO 52 3.648 -10.281 0.857 392 1HG PRO 52 2HG PRO 52 5.227 -12.755 1.628 393 2HG PRO 52 3HG PRO 52 4.049 -11.876 2.641 394 1HD PRO 52 2HD PRO 52 3.414 -14.112 1.194 395 2HD PRO 52 3HD PRO 52 2.230 -12.798 1.453 396 H ALA 53 H ALA 53 4.428 -13.666 -2.340 397 HA ALA 53 HA ALA 53 7.184 -13.053 -3.116 398 1HB ALA 53 1HB ALA 53 8.132 -15.169 -2.263 399 2HB ALA 53 2HB ALA 53 7.477 -14.233 -0.903 400 3HB ALA 53 3HB ALA 53 6.561 -15.609 -1.566 401 H GLU 54 H GLU 54 4.524 -13.518 -4.267 402 HA GLU 54 HA GLU 54 5.447 -15.232 -6.496 403 1HB GLU 54 2HB GLU 54 2.719 -15.393 -5.131 404 2HB GLU 54 3HB GLU 54 3.045 -15.981 -6.768 405 1HG GLU 54 2HG GLU 54 4.932 -17.399 -5.712 406 2HG GLU 54 3HG GLU 54 4.158 -17.047 -4.156 407 H THR 55 H THR 55 3.055 -12.806 -5.269 408 HA THR 55 HA THR 55 2.497 -12.011 -8.081 409 HB THR 55 HB THR 55 0.937 -12.031 -5.489 410 HG1 THR 55 1HG THR 55 0.565 -13.141 -8.066 411 1HG2 THR 55 1HG2 THR 55 0.315 -10.576 -8.077 412 2HG2 THR 55 2HG2 THR 55 -0.914 -11.090 -6.883 413 3HG2 THR 55 3HG2 THR 55 0.353 -9.941 -6.416 414 H GLY 56 H GLY 56 1.971 -10.068 -5.126 415 1HA GLY 56 2HA GLY 56 3.766 -8.595 -4.309 416 2HA GLY 56 3HA GLY 56 4.203 -8.238 -5.983 417 H THR 57 H THR 57 2.691 -7.007 -3.511 418 HA THR 57 HA THR 57 0.189 -6.128 -3.934 419 HB THR 57 HB THR 57 1.748 -5.714 -2.067 420 HG1 THR 57 1HG THR 57 0.330 -3.387 -2.700 421 1HG2 THR 57 1HG2 THR 57 3.581 -4.654 -3.251 422 2HG2 THR 57 2HG2 THR 57 2.499 -3.302 -3.654 423 3HG2 THR 57 3HG2 THR 57 2.922 -3.644 -1.954 424 H ALA 58 H ALA 58 2.984 -4.666 -5.619 425 HA ALA 58 HA ALA 58 1.554 -2.585 -6.872 426 1HB ALA 58 1HB ALA 58 4.035 -4.063 -7.840 427 2HB ALA 58 2HB ALA 58 3.462 -2.485 -8.424 428 3HB ALA 58 3HB ALA 58 3.999 -2.661 -6.743 429 H ALA 59 H ALA 59 1.940 -6.037 -7.784 430 HA ALA 59 HA ALA 59 0.782 -5.696 -10.427 431 1HB ALA 59 1HB ALA 59 1.057 -8.188 -8.739 432 2HB ALA 59 2HB ALA 59 0.711 -8.076 -10.481 433 3HB ALA 59 3HB ALA 59 2.292 -7.547 -9.859 434 H ILE 60 H ILE 60 -0.376 -6.226 -7.126 435 HA ILE 60 HA ILE 60 -3.013 -7.157 -7.787 436 HB ILE 60 HB ILE 60 -2.303 -5.493 -5.347 437 1HG1 ILE 60 2HG1 ILE 60 -0.666 -7.421 -5.564 438 2HG1 ILE 60 3HG1 ILE 60 -1.665 -7.325 -4.129 439 1HG2 ILE 60 1HG2 ILE 60 -4.662 -5.853 -5.576 440 2HG2 ILE 60 2HG2 ILE 60 -4.411 -7.595 -5.822 441 3HG2 ILE 60 3HG2 ILE 60 -4.018 -6.859 -4.257 442 1HD1 ILE 60 1HD1 ILE 60 -1.365 -9.592 -4.959 443 2HD1 ILE 60 2HD1 ILE 60 -3.069 -9.146 -4.903 444 3HD1 ILE 60 3HD1 ILE 60 -2.211 -9.155 -6.471 445 H GLN 61 H GLN 61 -1.652 -3.932 -6.965 446 HA GLN 61 HA GLN 61 -4.078 -2.518 -7.544 447 1HB GLN 61 2HB GLN 61 -2.948 -0.496 -7.390 448 2HB GLN 61 3HB GLN 61 -2.176 -1.566 -6.202 449 1HG GLN 61 2HG GLN 61 -0.318 -1.898 -7.629 450 2HG GLN 61 3HG GLN 61 -0.997 -0.931 -8.950 451 1HE2 GLN 61 1HE2 GLN 61 -1.513 1.445 -8.225 452 2HE2 GLN 61 2HE2 GLN 61 -0.246 2.147 -7.230 453 H GLU 62 H GLU 62 -1.247 -3.424 -9.614 454 HA GLU 62 HA GLU 62 -2.075 -2.052 -11.914 455 1HB GLU 62 2HB GLU 62 0.116 -3.211 -11.655 456 2HB GLU 62 3HB GLU 62 -0.721 -4.775 -11.761 457 1HG GLU 62 2HG GLU 62 -1.488 -4.287 -13.996 458 2HG GLU 62 3HG GLU 62 -0.766 -2.653 -13.933 459 H LYS 63 H LYS 63 -3.112 -5.317 -10.679 460 HA LYS 63 HA LYS 63 -4.615 -5.915 -12.992 461 1HB LYS 63 2HB LYS 63 -4.203 -7.009 -10.267 462 2HB LYS 63 3HB LYS 63 -5.784 -7.338 -10.942 463 1HG LYS 63 2HG LYS 63 -3.230 -7.948 -12.474 464 2HG LYS 63 3HG LYS 63 -3.961 -9.037 -11.294 465 1HD LYS 63 2HD LYS 63 -5.009 -9.894 -13.066 466 2HD LYS 63 3HD LYS 63 -6.185 -8.637 -12.674 467 1HE LYS 63 2HE LYS 63 -5.331 -7.209 -14.488 468 2HE LYS 63 3HE LYS 63 -3.972 -8.315 -14.764 469 1HZ LYS 63 1HZ LYS 63 -6.828 -8.882 -15.206 470 2HZ LYS 63 2HZ LYS 63 -5.703 -8.583 -16.365 471 3HZ LYS 63 3HZ LYS 63 -5.599 -9.953 -15.463 472 H ILE 64 H ILE 64 -5.525 -4.445 -9.827 473 HA ILE 64 HA ILE 64 -8.292 -4.127 -10.345 474 HB ILE 64 HB ILE 64 -6.345 -2.361 -8.804 475 1HG1 ILE 64 2HG1 ILE 64 -8.478 -4.320 -7.804 476 2HG1 ILE 64 3HG1 ILE 64 -6.829 -4.854 -8.108 477 1HG2 ILE 64 1HG2 ILE 64 -8.268 -1.002 -9.381 478 2HG2 ILE 64 2HG2 ILE 64 -9.383 -2.302 -8.896 479 3HG2 ILE 64 3HG2 ILE 64 -8.398 -1.453 -7.689 480 1HD1 ILE 64 1HD1 ILE 64 -7.613 -2.737 -6.068 481 2HD1 ILE 64 2HD1 ILE 64 -7.140 -4.412 -5.754 482 3HD1 ILE 64 3HD1 ILE 64 -5.960 -3.281 -6.434 483 H GLU 65 H GLU 65 -5.514 -2.008 -11.266 484 HA GLU 65 HA GLU 65 -7.129 -0.107 -12.635 485 1HB GLU 65 2HB GLU 65 -4.250 -0.906 -13.122 486 2HB GLU 65 3HB GLU 65 -5.103 0.472 -13.872 487 1HG GLU 65 2HG GLU 65 -5.528 1.261 -11.456 488 2HG GLU 65 3HG GLU 65 -4.338 0.062 -10.967 489 H LYS 66 H LYS 66 -5.425 -3.011 -14.011 490 HA LYS 66 HA LYS 66 -6.370 -2.589 -16.674 491 1HB LYS 66 2HB LYS 66 -5.212 -4.921 -15.174 492 2HB LYS 66 3HB LYS 66 -6.092 -5.212 -16.668 493 1HG LYS 66 2HG LYS 66 -4.066 -5.007 -17.499 494 2HG LYS 66 3HG LYS 66 -4.609 -3.376 -17.775 495 1HD LYS 66 2HD LYS 66 -3.186 -3.833 -15.191 496 2HD LYS 66 3HD LYS 66 -2.231 -4.266 -16.587 497 1HE LYS 66 2HE LYS 66 -1.587 -2.085 -16.169 498 2HE LYS 66 3HE LYS 66 -2.679 -1.945 -17.548 499 1HZ LYS 66 1HZ LYS 66 -3.107 -0.272 -15.847 500 2HZ LYS 66 2HZ LYS 66 -4.405 -1.290 -15.936 501 3HZ LYS 66 3HZ LYS 66 -3.311 -1.425 -14.713 502 H LEU 67 H LEU 67 -8.013 -4.171 -13.862 503 HA LEU 67 HA LEU 67 -10.217 -5.155 -15.403 504 1HB LEU 67 2HB LEU 67 -9.587 -4.553 -12.526 505 2HB LEU 67 3HB LEU 67 -11.267 -4.741 -12.961 506 HG LEU 67 HG LEU 67 -9.956 -6.733 -12.092 507 1HD1 LEU 67 1HD1 LEU 67 -11.709 -6.971 -14.580 508 2HD1 LEU 67 2HD1 LEU 67 -11.420 -8.265 -13.396 509 3HD1 LEU 67 3HD1 LEU 67 -12.281 -6.798 -12.907 510 1HD2 LEU 67 1HD2 LEU 67 -8.051 -6.754 -13.645 511 2HD2 LEU 67 2HD2 LEU 67 -8.979 -8.254 -13.695 512 3HD2 LEU 67 3HD2 LEU 67 -9.147 -7.075 -15.005 513 H GLY 68 H GLY 68 -9.311 -1.905 -14.729 514 1HA GLY 68 2HA GLY 68 -10.262 -0.134 -15.883 515 2HA GLY 68 3HA GLY 68 -11.807 -0.981 -16.030 516 H TYR 69 H TYR 69 -9.758 -0.427 -13.153 517 HA TYR 69 HA TYR 69 -11.821 1.385 -11.953 518 1HB TYR 69 2HB TYR 69 -10.393 -0.947 -10.629 519 2HB TYR 69 3HB TYR 69 -11.433 0.196 -9.795 520 HD1 TYR 69 HD1 TYR 69 -13.885 0.159 -10.126 521 HD2 TYR 69 HD2 TYR 69 -11.312 -2.611 -12.158 522 HE1 TYR 69 HE1 TYR 69 -15.870 -0.943 -11.142 523 HE2 TYR 69 HE2 TYR 69 -13.309 -3.777 -13.094 524 HH TYR 69 HH TYR 69 -15.531 -3.633 -13.455 525 H HIS 70 H HIS 70 -10.769 2.364 -9.837 526 HA HIS 70 HA HIS 70 -7.859 2.894 -10.249 527 1HB HIS 70 2HB HIS 70 -10.092 4.931 -10.167 528 2HB HIS 70 3HB HIS 70 -8.553 5.305 -9.398 529 HD1 HIS 70 1HD HIS 70 -6.510 5.884 -10.954 530 HD2 HIS 70 2HD HIS 70 -9.949 4.480 -12.940 531 HE1 HIS 70 1HE HIS 70 -6.121 6.261 -13.445 532 H VAL 71 H VAL 71 -6.727 3.007 -8.369 533 HA VAL 71 HA VAL 71 -8.124 2.142 -5.922 534 HB VAL 71 HB VAL 71 -5.832 1.908 -5.043 535 1HG1 VAL 71 1HG1 VAL 71 -6.345 0.447 -7.667 536 2HG1 VAL 71 2HG1 VAL 71 -5.290 -0.091 -6.347 537 3HG1 VAL 71 3HG1 VAL 71 -7.037 0.028 -6.084 538 1HG2 VAL 71 1HG2 VAL 71 -3.885 1.992 -6.478 539 2HG2 VAL 71 2HG2 VAL 71 -4.847 2.454 -7.885 540 3HG2 VAL 71 3HG2 VAL 71 -4.649 3.583 -6.534 541 H VAL 72 H VAL 72 -8.292 3.356 -4.048 542 HA VAL 72 HA VAL 72 -8.046 6.284 -4.385 543 HB VAL 72 HB VAL 72 -8.988 4.564 -2.079 544 1HG1 VAL 72 1HG1 VAL 72 -10.047 6.676 -1.244 545 2HG1 VAL 72 2HG1 VAL 72 -8.290 6.820 -1.281 546 3HG1 VAL 72 3HG1 VAL 72 -9.262 7.574 -2.559 547 1HG2 VAL 72 1HG2 VAL 72 -11.265 5.238 -2.723 548 2HG2 VAL 72 2HG2 VAL 72 -10.616 6.113 -4.128 549 3HG2 VAL 72 3HG2 VAL 72 -10.488 4.343 -4.035 550 H THR 73 H THR 73 -5.701 6.163 -4.709 551 HA THR 73 HA THR 73 -4.290 6.202 -2.121 552 HB THR 73 HB THR 73 -2.791 4.890 -4.368 553 HG1 THR 73 1HG THR 73 -4.846 3.842 -4.435 554 1HG2 THR 73 1HG2 THR 73 -3.239 4.138 -1.482 555 2HG2 THR 73 2HG2 THR 73 -1.821 3.719 -2.471 556 3HG2 THR 73 3HG2 THR 73 -2.091 5.396 -1.939 557 H GLU 74 H GLU 74 -2.460 7.543 -2.081 558 HA GLU 74 HA GLU 74 -1.937 9.139 -4.537 559 1HB GLU 74 2HB GLU 74 -2.276 10.223 -1.707 560 2HB GLU 74 3HB GLU 74 -1.777 11.142 -3.138 561 1HG GLU 74 2HG GLU 74 -3.945 10.488 -4.255 562 2HG GLU 74 3HG GLU 74 -4.469 9.749 -2.732 563 H LYS 75 H LYS 75 0.119 9.355 -4.979 564 HA LYS 75 HA LYS 75 2.171 8.003 -3.375 565 1HB LYS 75 2HB LYS 75 3.585 8.281 -5.290 566 2HB LYS 75 3HB LYS 75 2.017 7.629 -5.768 567 1HG LYS 75 2HG LYS 75 1.443 10.180 -6.231 568 2HG LYS 75 3HG LYS 75 3.211 10.299 -6.321 569 1HD LYS 75 2HD LYS 75 3.256 8.547 -8.076 570 2HD LYS 75 3HD LYS 75 1.520 8.290 -7.901 571 1HE LYS 75 2HE LYS 75 1.993 9.667 -9.885 572 2HE LYS 75 3HE LYS 75 0.999 10.527 -8.701 573 1HZ LYS 75 1HZ LYS 75 3.910 10.874 -9.027 574 2HZ LYS 75 2HZ LYS 75 2.755 11.909 -9.580 575 3HZ LYS 75 3HZ LYS 75 2.957 11.691 -7.965 576 H ALA 76 H ALA 76 2.293 9.268 -1.531 577 HA ALA 76 HA ALA 76 2.913 12.193 -1.875 578 1HB ALA 76 1HB ALA 76 2.696 12.337 0.547 579 2HB ALA 76 2HB ALA 76 1.253 11.620 -0.190 580 3HB ALA 76 3HB ALA 76 2.424 10.578 0.644 581 H GLU 77 H GLU 77 4.825 13.072 -0.570 582 HA GLU 77 HA GLU 77 7.091 11.154 -0.489 583 1HB GLU 77 2HB GLU 77 7.132 13.877 -1.839 584 2HB GLU 77 3HB GLU 77 8.533 12.852 -1.495 585 1HG GLU 77 2HG GLU 77 7.538 11.032 -2.885 586 2HG GLU 77 3HG GLU 77 6.202 12.114 -3.319 587 H PHE 78 H PHE 78 8.221 11.243 1.268 588 HA PHE 78 HA PHE 78 7.922 13.546 3.126 589 1HB PHE 78 2HB PHE 78 7.982 10.548 3.635 590 2HB PHE 78 3HB PHE 78 8.352 11.725 4.883 591 HD1 PHE 78 1HD PHE 78 5.610 10.961 2.367 592 HD2 PHE 78 2HD PHE 78 6.583 12.298 6.353 593 HE1 PHE 78 1HE PHE 78 3.246 11.560 2.760 594 HE2 PHE 78 2HE PHE 78 4.235 12.796 6.753 595 HZ PHE 78 HZ PHE 78 2.559 12.547 4.921 596 H ASP 79 H ASP 79 9.757 13.917 4.420 597 HA ASP 79 HA ASP 79 12.377 13.264 3.170 598 1HB ASP 79 2HB ASP 79 11.366 15.664 3.348 599 2HB ASP 79 3HB ASP 79 11.730 15.545 5.068 600 H ILE 80 H ILE 80 14.125 12.658 4.744 601 HA ILE 80 HA ILE 80 12.943 11.394 7.223 602 HB ILE 80 HB ILE 80 15.185 10.382 5.457 603 1HG1 ILE 80 2HG1 ILE 80 12.373 9.231 5.582 604 2HG1 ILE 80 3HG1 ILE 80 12.842 10.407 4.340 605 1HG2 ILE 80 1HG2 ILE 80 14.825 8.279 6.775 606 2HG2 ILE 80 2HG2 ILE 80 15.294 9.627 7.805 607 3HG2 ILE 80 3HG2 ILE 80 13.596 9.117 7.737 608 1HD1 ILE 80 1HD1 ILE 80 14.687 9.039 3.622 609 2HD1 ILE 80 2HD1 ILE 80 14.174 7.744 4.747 610 3HD1 ILE 80 3HD1 ILE 80 13.099 8.283 3.452 611 H GLU 81 H GLU 81 13.797 12.184 9.121 612 HA GLU 81 HA GLU 81 16.603 13.251 8.965 613 1HB GLU 81 2HB GLU 81 16.089 14.826 10.662 614 2HB GLU 81 3HB GLU 81 15.095 15.051 9.211 615 1HG GLU 81 2HG GLU 81 13.210 13.869 10.470 616 2HG GLU 81 3HG GLU 81 14.302 14.009 11.890 617 H GLY 82 H GLY 82 17.543 11.315 9.259 618 1HA GLY 82 2HA GLY 82 18.231 10.655 11.876 619 2HA GLY 82 3HA GLY 82 16.940 9.520 11.442 620 H MET 83 H MET 83 17.318 8.573 9.030 621 HA MET 83 HA MET 83 19.354 6.827 9.224 622 1HB MET 83 2HB MET 83 18.755 6.125 7.013 623 2HB MET 83 3HB MET 83 17.284 6.758 7.765 624 1HG MET 83 2HG MET 83 17.105 7.815 5.738 625 2HG MET 83 3HG MET 83 18.164 8.996 6.477 626 1HE MET 83 1HE MET 83 18.410 9.561 3.856 627 2HE MET 83 2HE MET 83 19.872 9.921 4.797 628 3HE MET 83 3HE MET 83 20.019 9.157 3.197 629 H THR 84 H THR 84 21.501 6.977 9.175 630 HA THR 84 HA THR 84 22.822 8.123 6.873 631 HB THR 84 HB THR 84 22.457 10.162 8.282 632 HG1 THR 84 1HG THR 84 24.500 10.894 8.028 633 1HG2 THR 84 1HG2 THR 84 22.635 9.082 10.531 634 2HG2 THR 84 2HG2 THR 84 24.382 8.882 10.265 635 3HG2 THR 84 3HG2 THR 84 23.672 10.503 10.336 636 H CYS 85 H CYS 85 22.473 5.480 8.298 637 HA CYS 85 HA CYS 85 25.179 4.615 8.253 638 1HB CYS 85 2HB CYS 85 25.000 5.831 10.587 639 2HB CYS 85 3HB CYS 85 23.929 4.488 11.033 640 HG CYS 85 HG CYS 85 27.024 4.511 9.902 641 H ALA 86 H ALA 86 25.264 2.288 8.762 642 HA ALA 86 HA ALA 86 24.612 0.223 8.196 643 1HB ALA 86 1HB ALA 86 22.341 0.920 10.107 644 2HB ALA 86 2HB ALA 86 22.783 -0.718 9.568 645 3HB ALA 86 3HB ALA 86 23.931 0.248 10.510 646 H ALA 87 H ALA 87 21.270 1.404 8.399 647 HA ALA 87 HA ALA 87 20.652 1.575 5.667 648 1HB ALA 87 1HB ALA 87 19.522 -1.085 6.181 649 2HB ALA 87 2HB ALA 87 20.535 -0.506 4.848 650 3HB ALA 87 3HB ALA 87 21.256 -1.144 6.319 651 H CYS 88 H CYS 88 19.856 3.086 7.926 652 HA CYS 88 HA CYS 88 17.603 2.014 9.258 653 1HB CYS 88 2HB CYS 88 18.509 4.846 8.733 654 2HB CYS 88 3HB CYS 88 17.219 4.435 9.865 655 HG CYS 88 HG CYS 88 18.681 2.967 11.424 656 H ALA 89 H ALA 89 17.814 4.203 6.421 657 HA ALA 89 HA ALA 89 15.059 4.416 5.762 658 1HB ALA 89 1HB ALA 89 15.841 4.911 3.528 659 2HB ALA 89 2HB ALA 89 16.890 5.713 4.708 660 3HB ALA 89 3HB ALA 89 17.441 4.240 3.887 661 H ASN 90 H ASN 90 17.482 1.889 5.046 662 HA ASN 90 HA ASN 90 15.785 0.423 3.268 663 1HB ASN 90 2HB ASN 90 18.480 0.289 4.050 664 2HB ASN 90 3HB ASN 90 17.785 -1.209 4.686 665 1HD2 ASN 90 1HD2 ASN 90 18.383 0.722 1.766 666 2HD2 ASN 90 2HD2 ASN 90 18.139 -0.588 0.639 667 H ARG 91 H ARG 91 16.310 0.359 6.770 668 HA ARG 91 HA ARG 91 14.595 -1.934 7.266 669 1HB ARG 91 2HB ARG 91 15.872 0.205 8.973 670 2HB ARG 91 3HB ARG 91 14.496 -0.677 9.610 671 1HG ARG 91 2HG ARG 91 16.426 -1.834 10.339 672 2HG ARG 91 3HG ARG 91 15.636 -2.839 9.126 673 1HD ARG 91 2HD ARG 91 17.368 -1.846 7.432 674 2HD ARG 91 3HD ARG 91 18.130 -1.107 8.830 675 HE ARG 91 HE ARG 91 19.032 -3.108 9.453 676 1HH1 ARG 91 2HH2 ARG 91 16.483 -3.715 7.112 677 2HH1 ARG 91 1HH2 ARG 91 16.902 -5.378 6.817 678 1HH2 ARG 91 2HH1 ARG 91 19.624 -5.329 9.120 679 2HH2 ARG 91 1HH1 ARG 91 18.730 -6.315 8.013 680 H ILE 92 H ILE 92 14.001 1.649 7.423 681 HA ILE 92 HA ILE 92 11.222 1.240 8.046 682 HB ILE 92 HB ILE 92 10.836 3.549 7.438 683 1HG1 ILE 92 2HG1 ILE 92 13.717 4.090 7.282 684 2HG1 ILE 92 3HG1 ILE 92 12.819 3.661 5.783 685 1HG2 ILE 92 1HG2 ILE 92 12.202 4.451 9.347 686 2HG2 ILE 92 2HG2 ILE 92 11.356 2.950 9.720 687 3HG2 ILE 92 3HG2 ILE 92 13.099 2.923 9.378 688 1HD1 ILE 92 1HD1 ILE 92 11.212 5.437 6.189 689 2HD1 ILE 92 2HD1 ILE 92 12.084 5.929 7.658 690 3HD1 ILE 92 3HD1 ILE 92 12.862 6.085 6.069 691 H GLU 93 H GLU 93 12.917 1.150 4.978 692 HA GLU 93 HA GLU 93 10.823 1.521 3.159 693 1HB GLU 93 2HB GLU 93 13.253 1.336 2.592 694 2HB GLU 93 3HB GLU 93 13.228 -0.358 3.058 695 1HG GLU 93 2HG GLU 93 11.449 -0.714 1.274 696 2HG GLU 93 3HG GLU 93 11.812 0.937 0.740 697 H LYS 94 H LYS 94 12.155 -1.577 4.428 698 HA LYS 94 HA LYS 94 10.131 -3.239 3.363 699 1HB LYS 94 2HB LYS 94 12.040 -3.587 5.710 700 2HB LYS 94 3HB LYS 94 10.794 -4.777 5.342 701 1HG LYS 94 2HG LYS 94 12.688 -5.614 4.294 702 2HG LYS 94 3HG LYS 94 11.669 -4.974 3.000 703 1HD LYS 94 2HD LYS 94 13.083 -2.917 2.934 704 2HD LYS 94 3HD LYS 94 14.083 -3.587 4.247 705 1HE LYS 94 2HE LYS 94 14.882 -5.380 2.830 706 2HE LYS 94 3HE LYS 94 13.677 -5.000 1.584 707 1HZ LYS 94 1HZ LYS 94 15.942 -3.219 2.287 708 2HZ LYS 94 2HZ LYS 94 15.780 -4.124 0.931 709 3HZ LYS 94 3HZ LYS 94 14.749 -2.890 1.241 710 H ARG 95 H ARG 95 10.142 -1.280 6.304 711 HA ARG 95 HA ARG 95 7.739 -2.570 7.411 712 1HB ARG 95 2HB ARG 95 9.187 0.037 7.960 713 2HB ARG 95 3HB ARG 95 7.663 -0.349 8.742 714 1HG ARG 95 2HG ARG 95 9.992 -2.314 8.814 715 2HG ARG 95 3HG ARG 95 9.914 -0.920 9.893 716 1HD ARG 95 2HD ARG 95 7.622 -1.633 10.605 717 2HD ARG 95 3HD ARG 95 7.831 -3.147 9.699 718 HE ARG 95 HE ARG 95 10.040 -3.209 11.203 719 1HH1 ARG 95 2HH2 ARG 95 6.689 -2.591 12.150 720 2HH1 ARG 95 1HH2 ARG 95 6.940 -2.899 13.836 721 1HH2 ARG 95 2HH1 ARG 95 10.401 -3.639 13.444 722 2HH2 ARG 95 1HH1 ARG 95 9.092 -3.559 14.574 723 H LEU 96 H LEU 96 8.235 0.721 6.099 724 HA LEU 96 HA LEU 96 5.515 1.382 5.892 725 1HB LEU 96 2HB LEU 96 7.851 2.482 4.329 726 2HB LEU 96 3HB LEU 96 6.214 3.145 4.389 727 HG LEU 96 HG LEU 96 8.271 3.097 6.645 728 1HD1 LEU 96 1HD1 LEU 96 8.136 4.989 5.021 729 2HD1 LEU 96 2HD1 LEU 96 6.439 5.234 5.499 730 3HD1 LEU 96 3HD1 LEU 96 7.742 5.450 6.686 731 1HD2 LEU 96 1HD2 LEU 96 5.288 3.395 6.990 732 2HD2 LEU 96 2HD2 LEU 96 6.391 2.271 7.819 733 3HD2 LEU 96 3HD2 LEU 96 6.500 4.000 8.138 734 H ASN 97 H ASN 97 7.540 -0.324 3.564 735 HA ASN 97 HA ASN 97 6.239 -0.586 1.274 736 1HB ASN 97 2HB ASN 97 8.086 -2.126 2.425 737 2HB ASN 97 3HB ASN 97 6.728 -3.163 2.799 738 1HD2 ASN 97 1HD2 ASN 97 8.781 -1.773 0.305 739 2HD2 ASN 97 2HD2 ASN 97 8.255 -2.836 -0.988 740 H LYS 98 H LYS 98 4.963 -1.978 4.311 741 HA LYS 98 HA LYS 98 2.249 -2.162 3.260 742 1HB LYS 98 2HB LYS 98 2.012 -4.617 3.554 743 2HB LYS 98 3HB LYS 98 2.967 -4.102 2.186 744 1HG LYS 98 2HG LYS 98 4.610 -5.499 2.832 745 2HG LYS 98 3HG LYS 98 4.945 -4.393 4.142 746 1HD LYS 98 2HD LYS 98 4.833 -6.379 5.230 747 2HD LYS 98 3HD LYS 98 3.243 -5.702 5.563 748 1HE LYS 98 2HE LYS 98 2.266 -7.104 3.760 749 2HE LYS 98 3HE LYS 98 3.886 -7.780 3.429 750 1HZ LYS 98 1HZ LYS 98 3.875 -8.635 5.699 751 2HZ LYS 98 2HZ LYS 98 2.342 -8.078 5.921 752 3HZ LYS 98 3HZ LYS 98 2.643 -9.250 4.815 753 H ILE 99 H ILE 99 3.023 -0.578 5.301 754 HA ILE 99 HA ILE 99 2.913 -1.814 7.869 755 HB ILE 99 HB ILE 99 2.261 0.938 6.833 756 1HG1 ILE 99 2HG1 ILE 99 4.585 0.123 7.356 757 2HG1 ILE 99 3HG1 ILE 99 4.087 1.631 8.145 758 1HG2 ILE 99 1HG2 ILE 99 1.838 1.710 9.193 759 2HG2 ILE 99 2HG2 ILE 99 0.513 0.834 8.438 760 3HG2 ILE 99 3HG2 ILE 99 1.540 0.014 9.633 761 1HD1 ILE 99 1HD1 ILE 99 3.745 0.406 10.268 762 2HD1 ILE 99 2HD1 ILE 99 4.223 -1.114 9.482 763 3HD1 ILE 99 3HD1 ILE 99 5.387 0.204 9.648 764 H GLU 100 H GLU 100 0.271 -0.528 5.867 765 HA GLU 100 HA GLU 100 -1.494 -2.629 6.724 766 1HB GLU 100 2HB GLU 100 -1.471 -0.600 8.493 767 2HB GLU 100 3HB GLU 100 -2.662 0.096 7.423 768 1HG GLU 100 2HG GLU 100 -2.791 -2.721 8.621 769 2HG GLU 100 3HG GLU 100 -3.478 -1.284 9.374 770 H GLY 101 H GLY 101 -3.048 0.327 5.593 771 1HA GLY 101 2HA GLY 101 -3.446 -0.875 2.997 772 2HA GLY 101 3HA GLY 101 -4.078 0.670 3.597 773 H VAL 102 H VAL 102 -0.803 -0.661 3.055 774 HA VAL 102 HA VAL 102 -0.077 1.790 1.484 775 HB VAL 102 HB VAL 102 1.871 -0.065 2.839 776 1HG1 VAL 102 1HG1 VAL 102 3.250 2.164 2.445 777 2HG1 VAL 102 2HG1 VAL 102 2.987 1.034 1.100 778 3HG1 VAL 102 3HG1 VAL 102 2.024 2.510 1.256 779 1HG2 VAL 102 1HG2 VAL 102 0.515 1.066 4.580 780 2HG2 VAL 102 2HG2 VAL 102 2.180 1.661 4.530 781 3HG2 VAL 102 3HG2 VAL 102 0.879 2.630 3.839 782 H ALA 103 H ALA 103 0.276 1.601 -0.602 783 HA ALA 103 HA ALA 103 0.208 -1.067 -1.848 784 1HB ALA 103 1HB ALA 103 0.365 0.272 -3.970 785 2HB ALA 103 2HB ALA 103 -1.102 0.515 -3.022 786 3HB ALA 103 3HB ALA 103 0.188 1.744 -2.996 787 H ASN 104 H ASN 104 2.392 1.805 -1.494 788 HA ASN 104 HA ASN 104 4.703 0.002 -1.675 789 1HB ASN 104 2HB ASN 104 4.569 2.269 -3.700 790 2HB ASN 104 3HB ASN 104 5.868 1.112 -3.483 791 1HD2 ASN 104 1HD2 ASN 104 3.247 1.861 -5.394 792 2HD2 ASN 104 2HD2 ASN 104 2.801 0.252 -5.959 793 H ALA 105 H ALA 105 6.728 1.259 -1.411 794 HA ALA 105 HA ALA 105 6.573 3.946 -0.479 795 1HB ALA 105 1HB ALA 105 7.021 1.884 1.706 796 2HB ALA 105 2HB ALA 105 7.153 3.644 1.895 797 3HB ALA 105 3HB ALA 105 5.583 2.911 1.543 798 HA PRO 106 HA PRO 106 10.795 2.277 -1.584 799 1HB PRO 106 2HB PRO 106 11.366 3.771 -3.804 800 2HB PRO 106 3HB PRO 106 10.412 2.260 -3.851 801 1HG PRO 106 2HG PRO 106 9.397 5.096 -3.808 802 2HG PRO 106 3HG PRO 106 8.863 3.767 -4.869 803 1HD PRO 106 2HD PRO 106 7.473 4.436 -2.599 804 2HD PRO 106 3HD PRO 106 7.625 2.745 -3.148 805 H VAL 107 H VAL 107 12.713 3.186 -0.932 806 HA VAL 107 HA VAL 107 12.626 5.949 0.170 807 HB VAL 107 HB VAL 107 14.375 5.244 1.675 808 1HG1 VAL 107 1HG1 VAL 107 12.009 3.318 1.732 809 2HG1 VAL 107 2HG1 VAL 107 13.065 3.737 3.097 810 3HG1 VAL 107 3HG1 VAL 107 12.040 4.968 2.371 811 1HG2 VAL 107 1HG2 VAL 107 15.519 3.517 0.320 812 2HG2 VAL 107 2HG2 VAL 107 15.055 2.887 1.902 813 3HG2 VAL 107 3HG2 VAL 107 14.106 2.455 0.472 814 H ASN 108 H ASN 108 14.471 7.315 -0.064 815 HA ASN 108 HA ASN 108 16.381 6.581 -2.244 816 1HB ASN 108 2HB ASN 108 15.539 9.304 -1.195 817 2HB ASN 108 3HB ASN 108 16.679 8.999 -2.510 818 1HD2 ASN 108 1HD2 ASN 108 15.637 7.446 -4.340 819 2HD2 ASN 108 2HD2 ASN 108 14.027 7.949 -4.815 820 H PHE 109 H PHE 109 18.555 7.212 -1.860 821 HA PHE 109 HA PHE 109 19.297 7.761 0.990 822 1HB PHE 109 2HB PHE 109 19.899 5.496 -0.554 823 2HB PHE 109 3HB PHE 109 21.337 6.487 -0.708 824 HD1 PHE 109 1HD PHE 109 19.040 4.781 1.662 825 HD2 PHE 109 2HD PHE 109 22.735 6.963 1.290 826 HE1 PHE 109 1HE PHE 109 19.699 4.054 3.926 827 HE2 PHE 109 2HE PHE 109 23.384 6.251 3.565 828 HZ PHE 109 HZ PHE 109 21.901 4.743 4.879 829 H ALA 110 H ALA 110 19.004 9.269 -1.861 830 HA ALA 110 HA ALA 110 21.588 10.780 -1.727 831 1HB ALA 110 1HB ALA 110 21.065 11.432 -4.035 832 2HB ALA 110 2HB ALA 110 21.141 9.667 -3.873 833 3HB ALA 110 3HB ALA 110 19.566 10.482 -3.992 834 H LEU 111 H LEU 111 18.058 11.145 -2.226 835 HA LEU 111 HA LEU 111 18.128 14.017 -1.686 836 1HB LEU 111 2HB LEU 111 15.685 12.289 -1.753 837 2HB LEU 111 3HB LEU 111 15.826 13.988 -2.184 838 HG LEU 111 HG LEU 111 16.744 11.532 -3.758 839 1HD1 LEU 111 1HD1 LEU 111 15.111 12.308 -5.411 840 2HD1 LEU 111 2HD1 LEU 111 14.342 12.051 -3.835 841 3HD1 LEU 111 3HD1 LEU 111 14.704 13.700 -4.386 842 1HD2 LEU 111 1HD2 LEU 111 18.431 13.359 -4.097 843 2HD2 LEU 111 2HD2 LEU 111 17.451 13.130 -5.550 844 3HD2 LEU 111 3HD2 LEU 111 17.120 14.496 -4.463 845 H GLU 112 H GLU 112 17.846 11.115 0.159 846 HA GLU 112 HA GLU 112 17.421 10.600 2.248 847 1HB GLU 112 2HB GLU 112 17.429 13.580 2.903 848 2HB GLU 112 3HB GLU 112 17.670 12.255 4.031 849 1HG GLU 112 2HG GLU 112 19.786 11.634 2.934 850 2HG GLU 112 3HG GLU 112 19.547 12.848 1.673 851 H THR 113 H THR 113 15.313 10.705 0.427 852 HA THR 113 HA THR 113 12.976 11.480 2.090 853 HB THR 113 HB THR 113 11.842 11.730 -0.168 854 HG1 THR 113 1HG THR 113 13.222 10.547 -1.506 855 1HG2 THR 113 1HG2 THR 113 12.740 13.710 1.004 856 2HG2 THR 113 2HG2 THR 113 14.329 13.448 0.272 857 3HG2 THR 113 3HG2 THR 113 12.950 13.851 -0.759 858 H VAL 114 H VAL 114 11.089 10.252 1.861 859 HA VAL 114 HA VAL 114 11.327 7.586 0.595 860 HB VAL 114 HB VAL 114 11.475 7.063 2.923 861 1HG1 VAL 114 1HG1 VAL 114 10.480 9.199 3.869 862 2HG1 VAL 114 2HG1 VAL 114 8.881 8.536 3.459 863 3HG1 VAL 114 3HG1 VAL 114 9.913 7.699 4.623 864 1HG2 VAL 114 1HG2 VAL 114 9.953 5.676 1.457 865 2HG2 VAL 114 2HG2 VAL 114 9.668 5.569 3.202 866 3HG2 VAL 114 3HG2 VAL 114 8.589 6.543 2.196 867 H THR 115 H THR 115 9.779 7.197 -0.844 868 HA THR 115 HA THR 115 7.503 9.091 -1.096 869 HB THR 115 HB THR 115 8.350 6.669 -2.709 870 HG1 THR 115 1HG THR 115 8.805 8.549 -4.210 871 1HG2 THR 115 1HG2 THR 115 6.798 7.541 -4.440 872 2HG2 THR 115 2HG2 THR 115 5.930 7.102 -2.968 873 3HG2 THR 115 3HG2 THR 115 6.265 8.812 -3.320 874 H VAL 116 H VAL 116 5.387 8.360 -0.606 875 HA VAL 116 HA VAL 116 5.073 5.615 0.475 876 HB VAL 116 HB VAL 116 5.467 7.201 2.337 877 1HG1 VAL 116 1HG1 VAL 116 4.344 9.212 1.364 878 2HG1 VAL 116 2HG1 VAL 116 2.777 8.442 1.683 879 3HG1 VAL 116 3HG1 VAL 116 3.860 8.819 3.024 880 1HG2 VAL 116 1HG2 VAL 116 3.405 6.468 3.618 881 2HG2 VAL 116 2HG2 VAL 116 2.828 5.739 2.107 882 3HG2 VAL 116 3HG2 VAL 116 4.346 5.190 2.835 883 H GLU 117 H GLU 117 3.705 4.664 -0.858 884 HA GLU 117 HA GLU 117 1.472 6.213 -2.101 885 1HB GLU 117 2HB GLU 117 3.119 3.792 -2.918 886 2HB GLU 117 3HB GLU 117 1.408 3.795 -3.337 887 1HG GLU 117 2HG GLU 117 1.638 5.937 -4.459 888 2HG GLU 117 3HG GLU 117 3.412 5.868 -4.234 889 H TYR 118 H TYR 118 0.026 6.107 -0.317 890 HA TYR 118 HA TYR 118 -0.908 3.413 0.416 891 1HB TYR 118 2HB TYR 118 -0.673 3.728 2.728 892 2HB TYR 118 3HB TYR 118 0.898 4.248 2.111 893 HD1 TYR 118 HD1 TYR 118 0.930 6.957 1.539 894 HD2 TYR 118 HD2 TYR 118 -1.735 5.013 4.307 895 HE1 TYR 118 HE1 TYR 118 0.687 9.072 2.784 896 HE2 TYR 118 HE2 TYR 118 -1.941 7.116 5.575 897 HH TYR 118 HH TYR 118 -0.285 10.122 4.560 898 H ASN 119 H ASN 119 -2.997 3.455 1.518 899 HA ASN 119 HA ASN 119 -4.666 5.417 0.179 900 1HB ASN 119 2HB ASN 119 -5.486 3.153 0.413 901 2HB ASN 119 3HB ASN 119 -5.363 3.241 2.182 902 1HD2 ASN 119 1HD2 ASN 119 -7.930 2.674 1.918 903 2HD2 ASN 119 2HD2 ASN 119 -8.897 4.078 1.673 904 HA PRO 120 HA PRO 120 -4.044 8.069 3.835 905 1HB PRO 120 2HB PRO 120 -4.926 10.436 2.895 906 2HB PRO 120 3HB PRO 120 -3.454 9.681 2.221 907 1HG PRO 120 2HG PRO 120 -6.275 9.486 1.101 908 2HG PRO 120 3HG PRO 120 -4.801 10.021 0.238 909 1HD PRO 120 2HD PRO 120 -5.689 7.449 0.126 910 2HD PRO 120 3HD PRO 120 -3.956 7.850 0.153 911 H LYS 121 H LYS 121 -6.782 6.540 2.793 912 HA LYS 121 HA LYS 121 -8.597 8.010 4.669 913 1HB LYS 121 2HB LYS 121 -9.291 5.685 2.893 914 2HB LYS 121 3HB LYS 121 -10.377 6.784 3.747 915 1HG LYS 121 2HG LYS 121 -8.637 7.388 1.322 916 2HG LYS 121 3HG LYS 121 -10.385 7.264 1.388 917 1HD LYS 121 2HD LYS 121 -10.390 9.313 2.890 918 2HD LYS 121 3HD LYS 121 -8.624 9.384 2.704 919 1HE LYS 121 2HE LYS 121 -9.095 9.364 0.122 920 2HE LYS 121 3HE LYS 121 -10.761 9.765 0.564 921 1HZ LYS 121 1HZ LYS 121 -8.330 11.321 1.198 922 2HZ LYS 121 2HZ LYS 121 -9.472 11.713 0.091 923 3HZ LYS 121 3HZ LYS 121 -9.850 11.727 1.694 924 H GLU 122 H GLU 122 -7.530 4.616 3.951 925 HA GLU 122 HA GLU 122 -8.389 3.518 6.364 926 1HB GLU 122 2HB GLU 122 -6.361 2.740 4.294 927 2HB GLU 122 3HB GLU 122 -6.134 2.036 5.891 928 1HG GLU 122 2HG GLU 122 -7.396 0.523 4.573 929 2HG GLU 122 3HG GLU 122 -8.396 1.086 5.893 930 H ALA 123 H ALA 123 -5.249 5.069 5.613 931 HA ALA 123 HA ALA 123 -4.650 5.215 8.546 932 1HB ALA 123 1HB ALA 123 -2.281 4.758 8.014 933 2HB ALA 123 2HB ALA 123 -3.313 3.392 7.562 934 3HB ALA 123 3HB ALA 123 -2.711 4.496 6.312 935 H SER 124 H SER 124 -2.656 6.878 8.702 936 HA SER 124 HA SER 124 -2.753 8.984 6.698 937 1HB SER 124 2HB SER 124 -3.447 10.764 8.180 938 2HB SER 124 3HB SER 124 -4.732 9.554 8.099 939 HG SER 124 HG SER 124 -4.232 8.888 10.127 940 H VAL 125 H VAL 125 -1.105 10.642 7.200 941 HA VAL 125 HA VAL 125 1.340 10.060 7.899 942 HB VAL 125 HB VAL 125 0.078 12.605 9.017 943 1HG1 VAL 125 1HG1 VAL 125 2.839 11.831 8.080 944 2HG1 VAL 125 2HG1 VAL 125 2.329 13.513 8.408 945 3HG1 VAL 125 3HG1 VAL 125 2.321 12.315 9.696 946 1HG2 VAL 125 1HG2 VAL 125 0.676 13.540 6.704 947 2HG2 VAL 125 2HG2 VAL 125 0.815 11.854 6.155 948 3HG2 VAL 125 3HG2 VAL 125 -0.735 12.495 6.736 949 H SER 126 H SER 126 -1.120 10.762 10.471 950 HA SER 126 HA SER 126 0.689 10.667 12.634 951 1HB SER 126 2HB SER 126 -2.260 9.957 12.542 952 2HB SER 126 3HB SER 126 -1.326 10.389 13.994 953 HG SER 126 HG SER 126 -2.503 12.152 12.760 954 H ASP 127 H ASP 127 -0.987 7.988 10.961 955 HA ASP 127 HA ASP 127 -0.268 5.929 12.869 956 1HB ASP 127 2HB ASP 127 -2.082 5.573 11.267 957 2HB ASP 127 3HB ASP 127 -0.979 5.836 9.901 958 H LEU 128 H LEU 128 1.077 7.191 9.844 959 HA LEU 128 HA LEU 128 3.356 5.488 9.668 960 1HB LEU 128 2HB LEU 128 2.907 8.280 8.599 961 2HB LEU 128 3HB LEU 128 4.322 7.297 8.226 962 HG LEU 128 HG LEU 128 1.461 6.407 7.672 963 1HD1 LEU 128 1HD1 LEU 128 3.550 7.595 5.819 964 2HD1 LEU 128 2HD1 LEU 128 1.938 6.991 5.345 965 3HD1 LEU 128 3HD1 LEU 128 2.080 8.421 6.381 966 1HD2 LEU 128 1HD2 LEU 128 4.188 5.354 6.801 967 2HD2 LEU 128 2HD2 LEU 128 2.993 4.475 7.788 968 3HD2 LEU 128 3HD2 LEU 128 2.654 4.816 6.092 969 H LYS 129 H LYS 129 2.915 8.653 11.252 970 HA LYS 129 HA LYS 129 5.648 8.883 12.084 971 1HB LYS 129 2HB LYS 129 3.134 10.231 13.111 972 2HB LYS 129 3HB LYS 129 4.761 10.552 13.727 973 1HG LYS 129 2HG LYS 129 5.454 10.887 11.256 974 2HG LYS 129 3HG LYS 129 3.764 11.066 10.886 975 1HD LYS 129 2HD LYS 129 5.291 12.755 12.936 976 2HD LYS 129 3HD LYS 129 5.238 13.127 11.214 977 1HE LYS 129 2HE LYS 129 3.711 14.500 12.612 978 2HE LYS 129 3HE LYS 129 3.015 13.754 11.190 979 1HZ LYS 129 1HZ LYS 129 1.574 13.500 13.102 980 2HZ LYS 129 2HZ LYS 129 2.114 12.030 12.605 981 3HZ LYS 129 3HZ LYS 129 2.755 12.724 13.950 982 H GLU 130 H GLU 130 2.755 7.348 13.659 983 HA GLU 130 HA GLU 130 4.226 6.679 16.021 984 1HB GLU 130 2HB GLU 130 1.635 6.577 15.319 985 2HB GLU 130 3HB GLU 130 2.027 4.883 15.000 986 1HG GLU 130 2HG GLU 130 2.621 6.363 17.625 987 2HG GLU 130 3HG GLU 130 1.141 5.470 17.268 988 H ALA 131 H ALA 131 3.710 4.950 12.932 989 HA ALA 131 HA ALA 131 5.033 2.550 13.598 990 1HB ALA 131 1HB ALA 131 4.822 3.914 10.877 991 2HB ALA 131 2HB ALA 131 5.219 2.213 11.172 992 3HB ALA 131 3HB ALA 131 3.612 2.838 11.604 993 H VAL 132 H VAL 132 6.396 5.480 11.912 994 HA VAL 132 HA VAL 132 8.986 4.377 11.817 995 HB VAL 132 HB VAL 132 7.876 6.248 10.420 996 1HG1 VAL 132 1HG1 VAL 132 9.197 8.007 12.528 997 2HG1 VAL 132 2HG1 VAL 132 8.256 8.525 11.118 998 3HG1 VAL 132 3HG1 VAL 132 7.461 7.694 12.431 999 1HG2 VAL 132 1HG2 VAL 132 10.772 6.308 11.353 1000 2HG2 VAL 132 2HG2 VAL 132 10.086 5.385 9.996 1001 3HG2 VAL 132 3HG2 VAL 132 10.179 7.147 9.908 1002 H ASP 133 H ASP 133 7.254 6.310 14.301 1003 HA ASP 133 HA ASP 133 9.466 6.969 15.843 1004 1HB ASP 133 2HB ASP 133 7.101 7.707 16.291 1005 2HB ASP 133 3HB ASP 133 6.753 6.122 16.974 1006 H LYS 134 H LYS 134 7.351 4.099 15.987 1007 HA LYS 134 HA LYS 134 8.816 2.562 17.847 1008 1HB LYS 134 2HB LYS 134 6.944 1.885 15.566 1009 2HB LYS 134 3HB LYS 134 7.814 0.613 16.416 1010 1HG LYS 134 2HG LYS 134 6.910 1.336 18.555 1011 2HG LYS 134 3HG LYS 134 6.080 2.708 17.781 1012 1HD LYS 134 2HD LYS 134 4.651 1.192 16.498 1013 2HD LYS 134 3HD LYS 134 5.607 -0.212 17.007 1014 1HE LYS 134 2HE LYS 134 3.631 -0.262 18.331 1015 2HE LYS 134 3HE LYS 134 4.934 0.263 19.408 1016 1HZ LYS 134 1HZ LYS 134 2.909 1.976 18.091 1017 2HZ LYS 134 2HZ LYS 134 2.988 1.656 19.706 1018 3HZ LYS 134 3HZ LYS 134 4.068 2.622 18.919 1019 H LEU 135 H LEU 135 9.503 3.023 14.373 1020 HA LEU 135 HA LEU 135 11.750 1.128 14.447 1021 1HB LEU 135 2HB LEU 135 10.653 3.068 12.431 1022 2HB LEU 135 3HB LEU 135 12.303 2.518 12.251 1023 HG LEU 135 HG LEU 135 10.627 1.221 10.949 1024 1HD1 LEU 135 1HD1 LEU 135 12.877 0.348 11.477 1025 2HD1 LEU 135 2HD1 LEU 135 12.233 -0.440 12.932 1026 3HD1 LEU 135 3HD1 LEU 135 11.671 -0.935 11.329 1027 1HD2 LEU 135 1HD2 LEU 135 8.835 1.165 12.638 1028 2HD2 LEU 135 2HD2 LEU 135 9.229 -0.422 12.015 1029 3HD2 LEU 135 3HD2 LEU 135 9.792 0.036 13.627 1030 H GLY 136 H GLY 136 11.347 4.503 15.262 1031 1HA GLY 136 2HA GLY 136 12.750 5.612 16.714 1032 2HA GLY 136 3HA GLY 136 14.071 4.493 16.374 1033 H TYR 137 H TYR 137 12.079 6.455 14.097 1034 HA TYR 137 HA TYR 137 14.304 8.356 13.684 1035 1HB TYR 137 2HB TYR 137 12.943 7.108 11.279 1036 2HB TYR 137 3HB TYR 137 14.359 8.150 11.312 1037 HD1 TYR 137 HD1 TYR 137 16.518 7.212 12.414 1038 HD2 TYR 137 HD2 TYR 137 13.121 4.746 11.469 1039 HE1 TYR 137 HE1 TYR 137 17.859 5.181 12.870 1040 HE2 TYR 137 HE2 TYR 137 14.514 2.715 11.764 1041 HH TYR 137 HH TYR 137 16.438 1.936 12.790 1042 H LYS 138 H LYS 138 13.137 10.066 11.778 1043 HA LYS 138 HA LYS 138 10.254 10.125 12.333 1044 1HB LYS 138 2HB LYS 138 10.398 12.607 12.725 1045 2HB LYS 138 3HB LYS 138 10.880 11.595 14.087 1046 1HG LYS 138 2HG LYS 138 13.054 12.320 12.195 1047 2HG LYS 138 3HG LYS 138 12.349 13.691 13.050 1048 1HD LYS 138 2HD LYS 138 13.057 11.310 14.737 1049 2HD LYS 138 3HD LYS 138 14.415 12.141 13.959 1050 1HE LYS 138 2HE LYS 138 13.760 14.296 14.881 1051 2HE LYS 138 3HE LYS 138 12.290 13.603 15.589 1052 1HZ LYS 138 1HZ LYS 138 14.066 13.860 17.187 1053 2HZ LYS 138 2HZ LYS 138 13.654 12.275 17.023 1054 3HZ LYS 138 3HZ LYS 138 15.039 12.846 16.332 1055 H LEU 139 H LEU 139 9.113 11.188 10.772 1056 HA LEU 139 HA LEU 139 10.517 11.563 8.173 1057 1HB LEU 139 2HB LEU 139 7.627 10.861 8.706 1058 2HB LEU 139 3HB LEU 139 8.418 11.026 7.130 1059 HG LEU 139 HG LEU 139 9.082 8.945 9.235 1060 1HD1 LEU 139 1HD1 LEU 139 6.893 8.671 8.084 1061 2HD1 LEU 139 2HD1 LEU 139 7.755 8.682 6.526 1062 3HD1 LEU 139 3HD1 LEU 139 8.053 7.383 7.712 1063 1HD2 LEU 139 1HD2 LEU 139 10.405 7.874 7.407 1064 2HD2 LEU 139 2HD2 LEU 139 10.216 9.370 6.461 1065 3HD2 LEU 139 3HD2 LEU 139 11.111 9.382 8.001 1066 H LYS 140 H LYS 140 9.944 13.365 6.992 1067 HA LYS 140 HA LYS 140 8.197 15.439 8.285 1068 1HB LYS 140 2HB LYS 140 11.009 15.614 7.265 1069 2HB LYS 140 3HB LYS 140 9.948 16.939 6.789 1070 1HG LYS 140 2HG LYS 140 10.113 15.976 9.665 1071 2HG LYS 140 3HG LYS 140 11.297 17.093 9.023 1072 1HD LYS 140 2HD LYS 140 8.302 17.666 8.761 1073 2HD LYS 140 3HD LYS 140 9.163 18.059 10.243 1074 1HE LYS 140 2HE LYS 140 9.931 19.103 7.461 1075 2HE LYS 140 3HE LYS 140 8.934 19.974 8.615 1076 1HZ LYS 140 1HZ LYS 140 11.222 20.637 8.723 1077 2HZ LYS 140 2HZ LYS 140 10.757 19.972 10.154 1078 3HZ LYS 140 3HZ LYS 140 11.712 19.114 9.128 1079 H LEU 141 H LEU 141 7.221 16.917 6.728 1080 HA LEU 141 HA LEU 141 6.272 15.358 4.390 1081 1HB LEU 141 2HB LEU 141 5.191 17.803 5.851 1082 2HB LEU 141 3HB LEU 141 4.427 16.953 4.505 1083 HG LEU 141 HG LEU 141 4.987 14.879 6.243 1084 1HD1 LEU 141 1HD1 LEU 141 4.165 15.448 8.447 1085 2HD1 LEU 141 2HD1 LEU 141 5.606 16.407 8.084 1086 3HD1 LEU 141 3HD1 LEU 141 4.000 17.152 8.004 1087 1HD2 LEU 141 1HD2 LEU 141 2.533 14.895 6.664 1088 2HD2 LEU 141 2HD2 LEU 141 2.446 16.510 5.938 1089 3HD2 LEU 141 3HD2 LEU 141 2.968 15.119 4.965 1090 H LYS 142 H LYS 142 7.086 15.867 2.342 1091 HA LYS 142 HA LYS 142 8.474 18.448 2.011 1092 1HB LYS 142 2HB LYS 142 7.916 16.193 0.051 1093 2HB LYS 142 3HB LYS 142 8.780 17.697 -0.288 1094 1HG LYS 142 2HG LYS 142 10.154 16.907 1.938 1095 2HG LYS 142 3HG LYS 142 9.592 15.330 1.378 1096 1HD LYS 142 2HD LYS 142 11.636 15.527 0.316 1097 2HD LYS 142 3HD LYS 142 10.543 16.102 -0.958 1098 1HE LYS 142 2HE LYS 142 11.066 18.486 -0.131 1099 2HE LYS 142 3HE LYS 142 12.201 17.767 1.029 1100 1HZ LYS 142 1HZ LYS 142 13.337 18.519 -0.895 1101 2HZ LYS 142 2HZ LYS 142 13.447 16.885 -0.797 1102 3HZ LYS 142 3HZ LYS 142 12.422 17.582 -1.894 1103 H GLY 143 H GLY 143 6.853 19.901 2.378 1104 1HA GLY 143 2HA GLY 143 5.599 21.601 1.339 1105 2HA GLY 143 3HA GLY 143 5.301 20.570 -0.073 1106 H GLU 144 H GLU 144 4.264 18.330 1.021 1107 HA GLU 144 HA GLU 144 1.626 18.579 1.360 1108 1HB GLU 144 2HB GLU 144 2.676 16.467 1.061 1109 2HB GLU 144 3HB GLU 144 3.530 16.570 2.589 1110 1HG GLU 144 2HG GLU 144 1.784 14.963 2.815 1111 2HG GLU 144 3HG GLU 144 1.306 16.362 3.784 1112 H GLN 145 H GLN 145 3.813 19.228 3.999 1113 HA GLN 145 HA GLN 145 1.591 20.777 5.228 1114 1HB GLN 145 2HB GLN 145 3.169 18.661 6.628 1115 2HB GLN 145 3HB GLN 145 2.682 20.095 7.527 1116 1HG GLN 145 2HG GLN 145 0.328 19.757 6.892 1117 2HG GLN 145 3HG GLN 145 0.764 18.284 6.016 1118 1HE2 GLN 145 1HE2 GLN 145 0.420 16.422 7.190 1119 2HE2 GLN 145 2HE2 GLN 145 0.455 16.338 8.945 1120 H ASP 146 H ASP 146 4.348 21.133 3.781 1121 HA ASP 146 HA ASP 146 5.387 23.239 5.647 1122 1HB ASP 146 2HB ASP 146 6.886 21.182 4.041 1123 2HB ASP 146 3HB ASP 146 7.562 22.808 4.144 1124 H SER 147 H SER 147 3.786 22.730 2.828 1125 HA SER 147 HA SER 147 3.600 25.458 2.101 1126 1HB SER 147 2HB SER 147 5.473 23.808 0.345 1127 2HB SER 147 3HB SER 147 4.599 25.220 -0.252 1128 HG SER 147 HG SER 147 6.191 25.435 2.053 1129 H ILE 148 H ILE 148 1.713 23.634 2.729 1130 HA ILE 148 HA ILE 148 0.478 22.173 0.789 1131 HB ILE 148 HB ILE 148 -1.693 22.993 1.883 1132 1HG1 ILE 148 2HG1 ILE 148 0.161 24.251 3.944 1133 2HG1 ILE 148 3HG1 ILE 148 -0.667 25.203 2.701 1134 1HG2 ILE 148 1HG2 ILE 148 0.533 21.781 3.535 1135 2HG2 ILE 148 2HG2 ILE 148 -1.199 21.638 3.911 1136 3HG2 ILE 148 3HG2 ILE 148 -0.562 20.924 2.430 1137 1HD1 ILE 148 1HD1 ILE 148 -1.937 25.262 4.757 1138 2HD1 ILE 148 2HD1 ILE 148 -2.856 24.391 3.515 1139 3HD1 ILE 148 3HD1 ILE 148 -2.037 23.499 4.817 1140 H GLU 149 H GLU 149 0.493 25.710 0.879 1141 HA GLU 149 HA GLU 149 -0.365 27.289 -0.476 1142 1HB GLU 149 2HB GLU 149 1.435 26.048 -1.881 1143 2HB GLU 149 3HB GLU 149 0.074 25.401 -2.801 1144 1HG GLU 149 2HG GLU 149 -0.698 27.838 -3.104 1145 2HG GLU 149 3HG GLU 149 0.846 28.330 -2.383 1146 H GLY 150 H GLY 150 -2.459 26.695 0.667 1147 1HA GLY 150 2HA GLY 150 -4.616 25.916 -1.244 1148 2HA GLY 150 3HA GLY 150 -4.703 25.791 0.521 1149 H ARG 151 H ARG 151 -5.655 27.720 -1.995 1150 HA ARG 151 HA ARG 151 -6.126 30.050 -0.305 1151 1HB ARG 151 2HB ARG 151 -3.996 30.466 -1.581 1152 2HB ARG 151 3HB ARG 151 -4.863 30.118 -3.091 1153 1HG ARG 151 2HG ARG 151 -6.343 32.036 -2.740 1154 2HG ARG 151 3HG ARG 151 -5.649 32.314 -1.133 1155 1HD ARG 151 2HD ARG 151 -3.391 32.684 -2.258 1156 2HD ARG 151 3HD ARG 151 -4.175 32.394 -3.804 1157 HE ARG 151 HE ARG 151 -4.962 34.530 -3.845 1158 1HH1 ARG 151 2HH2 ARG 151 -4.177 33.727 -0.520 1159 2HH1 ARG 151 1HH2 ARG 151 -4.463 35.312 0.133 1160 1HH2 ARG 151 2HH1 ARG 151 -5.376 36.667 -3.045 1161 2HH2 ARG 151 1HH1 ARG 151 -5.172 37.029 -1.362 Start of MODEL 13 1 1H MET 1 H1 MET 1 6.314 -23.773 0.980 2 2H MET 1 H2 MET 1 5.950 -22.618 -0.160 3 3H MET 1 H3 MET 1 6.649 -22.192 1.279 4 HA MET 1 HA MET 1 4.350 -21.661 1.411 5 1HB MET 1 2HB MET 1 4.035 -24.599 0.657 6 2HB MET 1 3HB MET 1 2.739 -23.628 1.340 7 1HG MET 1 2HG MET 1 3.872 -22.193 -0.933 8 2HG MET 1 3HG MET 1 3.511 -23.858 -1.386 9 1HE MET 1 1HE MET 1 2.088 -20.436 -0.128 10 2HE MET 1 2HE MET 1 0.370 -20.824 0.104 11 3HE MET 1 3HE MET 1 1.582 -21.508 1.207 12 H LEU 2 H LEU 2 4.048 -21.377 3.572 13 HA LEU 2 HA LEU 2 4.009 -23.660 5.359 14 1HB LEU 2 2HB LEU 2 6.401 -22.842 5.420 15 2HB LEU 2 3HB LEU 2 5.848 -21.322 6.102 16 HG LEU 2 HG LEU 2 5.484 -24.113 7.303 17 1HD1 LEU 2 1HD1 LEU 2 7.321 -21.819 8.113 18 2HD1 LEU 2 2HD1 LEU 2 7.174 -23.386 8.937 19 3HD1 LEU 2 3HD1 LEU 2 7.825 -23.311 7.292 20 1HD2 LEU 2 1HD2 LEU 2 4.878 -22.868 9.405 21 2HD2 LEU 2 2HD2 LEU 2 4.769 -21.376 8.453 22 3HD2 LEU 2 3HD2 LEU 2 3.660 -22.737 8.143 23 H SER 3 H SER 3 4.289 -20.128 5.954 24 HA SER 3 HA SER 3 1.677 -19.437 5.282 25 1HB SER 3 2HB SER 3 0.941 -20.686 7.319 26 2HB SER 3 3HB SER 3 2.059 -19.705 8.296 27 HG SER 3 HG SER 3 -0.051 -18.843 8.310 28 H GLU 4 H GLU 4 2.269 -17.419 4.568 29 HA GLU 4 HA GLU 4 3.199 -15.518 6.562 30 1HB GLU 4 2HB GLU 4 5.277 -16.547 5.306 31 2HB GLU 4 3HB GLU 4 4.744 -15.550 3.945 32 1HG GLU 4 2HG GLU 4 4.862 -13.542 5.472 33 2HG GLU 4 3HG GLU 4 5.438 -14.605 6.771 34 H GLN 5 H GLN 5 0.695 -16.032 5.365 35 HA GLN 5 HA GLN 5 0.269 -14.353 3.058 36 1HB GLN 5 2HB GLN 5 -1.781 -15.219 5.169 37 2HB GLN 5 3HB GLN 5 -2.117 -14.601 3.546 38 1HG GLN 5 2HG GLN 5 -0.902 -17.273 4.308 39 2HG GLN 5 3HG GLN 5 -2.402 -16.964 3.420 40 1HE2 GLN 5 1HE2 GLN 5 0.557 -18.196 2.884 41 2HE2 GLN 5 2HE2 GLN 5 1.041 -17.418 1.386 42 H LYS 6 H LYS 6 -0.447 -12.281 2.899 43 HA LYS 6 HA LYS 6 -0.546 -10.679 5.444 44 1HB LYS 6 2HB LYS 6 0.208 -8.806 4.250 45 2HB LYS 6 3HB LYS 6 1.379 -10.086 3.948 46 1HG LYS 6 2HG LYS 6 0.884 -10.253 1.702 47 2HG LYS 6 3HG LYS 6 -0.819 -9.987 1.904 48 1HD LYS 6 2HD LYS 6 -0.505 -8.026 1.017 49 2HD LYS 6 3HD LYS 6 -0.054 -7.488 2.607 50 1HE LYS 6 2HE LYS 6 2.354 -7.896 2.102 51 2HE LYS 6 3HE LYS 6 1.913 -8.546 0.509 52 1HZ LYS 6 1HZ LYS 6 1.469 -5.780 1.379 53 2HZ LYS 6 2HZ LYS 6 2.579 -6.293 0.276 54 3HZ LYS 6 3HZ LYS 6 0.965 -6.440 -0.048 55 H GLU 7 H GLU 7 -1.933 -8.610 4.910 56 HA GLU 7 HA GLU 7 -4.237 -9.180 3.186 57 1HB GLU 7 2HB GLU 7 -5.700 -8.151 4.909 58 2HB GLU 7 3HB GLU 7 -4.992 -9.682 5.421 59 1HG GLU 7 2HG GLU 7 -3.154 -8.031 6.544 60 2HG GLU 7 3HG GLU 7 -4.538 -6.940 6.511 61 H ILE 8 H ILE 8 -4.673 -7.356 1.945 62 HA ILE 8 HA ILE 8 -3.475 -4.784 2.854 63 HB ILE 8 HB ILE 8 -2.542 -6.159 0.685 64 1HG1 ILE 8 2HG1 ILE 8 -1.776 -3.849 -0.154 65 2HG1 ILE 8 3HG1 ILE 8 -2.617 -3.201 1.271 66 1HG2 ILE 8 1HG2 ILE 8 -3.273 -5.152 -1.378 67 2HG2 ILE 8 2HG2 ILE 8 -4.598 -6.010 -0.589 68 3HG2 ILE 8 3HG2 ILE 8 -4.528 -4.227 -0.535 69 1HD1 ILE 8 1HD1 ILE 8 -0.164 -3.692 1.600 70 2HD1 ILE 8 2HD1 ILE 8 -1.187 -4.633 2.713 71 3HD1 ILE 8 3HD1 ILE 8 -0.529 -5.398 1.254 72 H ALA 9 H ALA 9 -5.126 -3.543 3.516 73 HA ALA 9 HA ALA 9 -7.794 -3.807 2.220 74 1HB ALA 9 1HB ALA 9 -6.928 -2.581 4.871 75 2HB ALA 9 2HB ALA 9 -8.582 -2.602 4.221 76 3HB ALA 9 3HB ALA 9 -7.777 -4.126 4.653 77 H MET 10 H MET 10 -8.122 -2.298 0.655 78 HA MET 10 HA MET 10 -7.054 0.461 1.022 79 1HB MET 10 2HB MET 10 -6.598 -1.310 -1.407 80 2HB MET 10 3HB MET 10 -6.380 0.448 -1.395 81 1HG MET 10 2HG MET 10 -4.582 0.293 0.237 82 2HG MET 10 3HG MET 10 -4.870 -1.433 0.467 83 1HE MET 10 1HE MET 10 -3.032 0.170 -3.420 84 2HE MET 10 2HE MET 10 -4.757 0.363 -3.053 85 3HE MET 10 3HE MET 10 -3.537 1.237 -2.084 86 H GLN 11 H GLN 11 -8.457 2.044 0.025 87 HA GLN 11 HA GLN 11 -11.058 1.070 -0.926 88 1HB GLN 11 2HB GLN 11 -9.871 3.749 -0.285 89 2HB GLN 11 3HB GLN 11 -11.292 3.658 -1.353 90 1HG GLN 11 2HG GLN 11 -12.575 2.437 0.304 91 2HG GLN 11 3HG GLN 11 -11.192 2.345 1.389 92 1HE2 GLN 11 1HE2 GLN 11 -11.291 5.392 -0.213 93 2HE2 GLN 11 2HE2 GLN 11 -12.167 6.270 1.038 94 H VAL 12 H VAL 12 -11.900 1.110 -2.943 95 HA VAL 12 HA VAL 12 -10.136 1.751 -5.239 96 HB VAL 12 HB VAL 12 -10.238 -0.625 -4.979 97 1HG1 VAL 12 1HG1 VAL 12 -12.210 -0.913 -3.531 98 2HG1 VAL 12 2HG1 VAL 12 -13.266 -0.316 -4.820 99 3HG1 VAL 12 3HG1 VAL 12 -12.416 -1.864 -5.006 100 1HG2 VAL 12 1HG2 VAL 12 -12.259 0.078 -7.121 101 2HG2 VAL 12 2HG2 VAL 12 -10.498 0.296 -7.285 102 3HG2 VAL 12 3HG2 VAL 12 -11.185 -1.328 -7.064 103 H SER 13 H SER 13 -11.230 2.556 -7.122 104 HA SER 13 HA SER 13 -13.814 3.905 -6.485 105 1HB SER 13 2HB SER 13 -12.055 4.660 -8.786 106 2HB SER 13 3HB SER 13 -13.152 5.644 -7.802 107 HG SER 13 HG SER 13 -10.593 4.586 -7.111 108 H GLY 14 H GLY 14 -15.121 4.423 -8.477 109 1HA GLY 14 2HA GLY 14 -16.202 3.915 -10.430 110 2HA GLY 14 3HA GLY 14 -14.850 2.868 -10.892 111 H MET 15 H MET 15 -15.956 2.010 -7.817 112 HA MET 15 HA MET 15 -16.737 -0.532 -8.813 113 1HB MET 15 2HB MET 15 -16.394 0.699 -6.126 114 2HB MET 15 3HB MET 15 -17.623 -0.556 -6.216 115 1HG MET 15 2HG MET 15 -15.899 -2.011 -7.443 116 2HG MET 15 3HG MET 15 -14.701 -0.792 -7.000 117 1HE MET 15 1HE MET 15 -17.336 -3.353 -5.892 118 2HE MET 15 2HE MET 15 -16.971 -3.644 -4.177 119 3HE MET 15 3HE MET 15 -17.762 -2.130 -4.659 120 H THR 16 H THR 16 -18.517 -1.138 -9.706 121 HA THR 16 HA THR 16 -21.111 0.120 -9.273 122 HB THR 16 HB THR 16 -20.749 -2.463 -10.784 123 HG1 THR 16 1HG THR 16 -19.566 -0.009 -11.492 124 1HG2 THR 16 1HG2 THR 16 -22.947 -1.334 -10.781 125 2HG2 THR 16 2HG2 THR 16 -22.199 0.142 -11.429 126 3HG2 THR 16 3HG2 THR 16 -22.228 -1.344 -12.402 127 H CYS 17 H CYS 17 -19.306 -1.970 -7.472 128 HA CYS 17 HA CYS 17 -19.734 -3.418 -5.798 129 1HB CYS 17 2HB CYS 17 -21.284 -2.649 -4.213 130 2HB CYS 17 3HB CYS 17 -20.526 -1.232 -4.951 131 HG CYS 17 HG CYS 17 -23.448 -2.615 -5.676 132 H ALA 18 H ALA 18 -20.360 -4.588 -8.062 133 HA ALA 18 HA ALA 18 -21.840 -6.860 -7.188 134 1HB ALA 18 1HB ALA 18 -23.174 -5.055 -9.273 135 2HB ALA 18 2HB ALA 18 -23.560 -6.782 -9.065 136 3HB ALA 18 3HB ALA 18 -23.854 -5.636 -7.750 137 H ALA 19 H ALA 19 -21.754 -5.702 -10.536 138 HA ALA 19 HA ALA 19 -20.209 -7.805 -11.532 139 1HB ALA 19 1HB ALA 19 -20.506 -4.978 -12.639 140 2HB ALA 19 2HB ALA 19 -19.951 -6.404 -13.541 141 3HB ALA 19 3HB ALA 19 -21.614 -6.340 -12.925 142 H CYS 20 H CYS 20 -19.109 -4.585 -10.319 143 HA CYS 20 HA CYS 20 -16.428 -4.865 -11.353 144 1HB CYS 20 2HB CYS 20 -17.717 -3.066 -9.271 145 2HB CYS 20 3HB CYS 20 -15.962 -3.107 -9.505 146 HG CYS 20 HG CYS 20 -18.256 -2.509 -11.806 147 H ALA 21 H ALA 21 -17.787 -5.165 -8.038 148 HA ALA 21 HA ALA 21 -15.537 -6.211 -6.759 149 1HB ALA 21 1HB ALA 21 -17.203 -7.339 -5.231 150 2HB ALA 21 2HB ALA 21 -17.589 -5.632 -5.513 151 3HB ALA 21 3HB ALA 21 -18.500 -6.901 -6.355 152 H ALA 22 H ALA 22 -18.133 -8.042 -8.462 153 HA ALA 22 HA ALA 22 -17.026 -10.602 -8.009 154 1HB ALA 22 1HB ALA 22 -19.306 -10.232 -8.845 155 2HB ALA 22 2HB ALA 22 -18.664 -9.627 -10.388 156 3HB ALA 22 3HB ALA 22 -18.406 -11.321 -9.919 157 H ARG 23 H ARG 23 -16.375 -8.241 -10.644 158 HA ARG 23 HA ARG 23 -14.717 -10.069 -12.116 159 1HB ARG 23 2HB ARG 23 -15.374 -7.111 -12.260 160 2HB ARG 23 3HB ARG 23 -13.950 -7.687 -13.102 161 1HG ARG 23 2HG ARG 23 -16.747 -8.804 -13.530 162 2HG ARG 23 3HG ARG 23 -15.879 -7.654 -14.563 163 1HD ARG 23 2HD ARG 23 -13.981 -9.597 -14.363 164 2HD ARG 23 3HD ARG 23 -15.418 -10.612 -14.183 165 HE ARG 23 HE ARG 23 -15.941 -8.930 -16.366 166 1HH1 ARG 23 2HH2 ARG 23 -13.529 -11.353 -15.560 167 2HH1 ARG 23 1HH2 ARG 23 -13.151 -11.777 -17.204 168 1HH2 ARG 23 2HH1 ARG 23 -15.434 -9.409 -18.573 169 2HH2 ARG 23 1HH1 ARG 23 -14.278 -10.636 -18.963 170 H ILE 24 H ILE 24 -14.011 -7.514 -9.668 171 HA ILE 24 HA ILE 24 -11.165 -7.754 -10.075 172 HB ILE 24 HB ILE 24 -12.806 -6.689 -7.749 173 1HG1 ILE 24 2HG1 ILE 24 -11.265 -5.313 -10.025 174 2HG1 ILE 24 3HG1 ILE 24 -13.020 -5.464 -9.950 175 1HG2 ILE 24 1HG2 ILE 24 -9.846 -6.449 -8.296 176 2HG2 ILE 24 2HG2 ILE 24 -10.747 -5.666 -6.971 177 3HG2 ILE 24 3HG2 ILE 24 -10.604 -7.420 -7.006 178 1HD1 ILE 24 1HD1 ILE 24 -12.533 -3.273 -9.240 179 2HD1 ILE 24 2HD1 ILE 24 -12.959 -4.162 -7.770 180 3HD1 ILE 24 3HD1 ILE 24 -11.245 -3.801 -8.156 181 H GLU 25 H GLU 25 -13.488 -9.136 -7.622 182 HA GLU 25 HA GLU 25 -11.508 -10.601 -6.281 183 1HB GLU 25 2HB GLU 25 -14.501 -11.149 -6.637 184 2HB GLU 25 3HB GLU 25 -13.456 -12.048 -5.528 185 1HG GLU 25 2HG GLU 25 -12.883 -9.965 -4.332 186 2HG GLU 25 3HG GLU 25 -13.938 -9.041 -5.401 187 H LYS 26 H LYS 26 -13.630 -11.693 -9.063 188 HA LYS 26 HA LYS 26 -12.451 -14.241 -9.192 189 1HB LYS 26 2HB LYS 26 -14.600 -13.470 -10.332 190 2HB LYS 26 3HB LYS 26 -13.548 -12.819 -11.612 191 1HG LYS 26 2HG LYS 26 -12.418 -15.180 -11.449 192 2HG LYS 26 3HG LYS 26 -13.881 -15.694 -10.630 193 1HD LYS 26 2HD LYS 26 -13.809 -14.422 -13.411 194 2HD LYS 26 3HD LYS 26 -13.697 -16.164 -13.116 195 1HE LYS 26 2HE LYS 26 -15.906 -16.122 -11.951 196 2HE LYS 26 3HE LYS 26 -16.066 -14.399 -12.336 197 1HZ LYS 26 1HZ LYS 26 -15.835 -16.591 -14.305 198 2HZ LYS 26 2HZ LYS 26 -17.223 -15.820 -13.897 199 3HZ LYS 26 3HZ LYS 26 -16.031 -14.998 -14.669 200 H GLY 27 H GLY 27 -11.640 -11.228 -10.968 201 1HA GLY 27 2HA GLY 27 -9.651 -12.242 -12.672 202 2HA GLY 27 3HA GLY 27 -9.783 -10.568 -12.100 203 H LEU 28 H LEU 28 -9.380 -10.880 -9.366 204 HA LEU 28 HA LEU 28 -6.512 -11.246 -9.267 205 1HB LEU 28 2HB LEU 28 -8.638 -10.397 -7.277 206 2HB LEU 28 3HB LEU 28 -7.013 -10.771 -6.735 207 HG LEU 28 HG LEU 28 -7.409 -8.322 -7.132 208 1HD1 LEU 28 1HD1 LEU 28 -5.135 -9.372 -7.138 209 2HD1 LEU 28 2HD1 LEU 28 -5.220 -9.474 -8.907 210 3HD1 LEU 28 3HD1 LEU 28 -5.280 -7.895 -8.112 211 1HD2 LEU 28 1HD2 LEU 28 -8.798 -8.458 -9.183 212 2HD2 LEU 28 2HD2 LEU 28 -7.478 -7.333 -9.235 213 3HD2 LEU 28 3HD2 LEU 28 -7.346 -8.890 -10.097 214 H LYS 29 H LYS 29 -9.309 -13.131 -7.959 215 HA LYS 29 HA LYS 29 -7.732 -15.158 -6.715 216 1HB LYS 29 2HB LYS 29 -10.522 -15.069 -7.852 217 2HB LYS 29 3HB LYS 29 -9.842 -16.593 -7.305 218 1HG LYS 29 2HG LYS 29 -9.742 -16.018 -5.096 219 2HG LYS 29 3HG LYS 29 -9.632 -14.273 -5.411 220 1HD LYS 29 2HD LYS 29 -11.902 -13.994 -5.692 221 2HD LYS 29 3HD LYS 29 -12.156 -15.649 -6.242 222 1HE LYS 29 2HE LYS 29 -13.283 -15.403 -4.146 223 2HE LYS 29 3HE LYS 29 -11.908 -16.491 -3.917 224 1HZ LYS 29 1HZ LYS 29 -12.040 -13.629 -3.087 225 2HZ LYS 29 2HZ LYS 29 -12.002 -14.920 -2.075 226 3HZ LYS 29 3HZ LYS 29 -10.728 -14.598 -2.948 227 H ARG 30 H ARG 30 -8.162 -14.506 -10.119 228 HA ARG 30 HA ARG 30 -7.356 -17.000 -11.158 229 1HB ARG 30 2HB ARG 30 -8.103 -14.787 -12.318 230 2HB ARG 30 3HB ARG 30 -6.399 -14.347 -12.264 231 1HG ARG 30 2HG ARG 30 -5.721 -16.092 -13.667 232 2HG ARG 30 3HG ARG 30 -7.236 -16.996 -13.486 233 1HD ARG 30 2HD ARG 30 -8.469 -15.547 -14.819 234 2HD ARG 30 3HD ARG 30 -7.302 -14.211 -14.664 235 HE ARG 30 HE ARG 30 -5.857 -16.186 -15.922 236 1HH1 ARG 30 2HH2 ARG 30 -8.917 -14.611 -16.662 237 2HH1 ARG 30 1HH2 ARG 30 -8.668 -14.554 -18.381 238 1HH2 ARG 30 2HH1 ARG 30 -5.446 -16.055 -18.203 239 2HH2 ARG 30 1HH1 ARG 30 -6.637 -15.393 -19.269 240 H MET 31 H MET 31 -5.437 -14.594 -9.407 241 HA MET 31 HA MET 31 -2.864 -15.587 -10.390 242 1HB MET 31 2HB MET 31 -3.756 -13.430 -8.452 243 2HB MET 31 3HB MET 31 -2.066 -13.900 -8.570 244 1HG MET 31 2HG MET 31 -3.437 -13.410 -11.176 245 2HG MET 31 3HG MET 31 -3.199 -12.000 -10.157 246 1HE MET 31 1HE MET 31 -1.919 -12.793 -13.156 247 2HE MET 31 2HE MET 31 -1.738 -11.177 -12.416 248 3HE MET 31 3HE MET 31 -0.306 -12.060 -12.981 249 HA PRO 32 HA PRO 32 -2.517 -18.724 -7.402 250 1HB PRO 32 2HB PRO 32 0.167 -19.124 -7.172 251 2HB PRO 32 3HB PRO 32 -0.738 -19.457 -8.671 252 1HG PRO 32 2HG PRO 32 0.848 -16.963 -8.009 253 2HG PRO 32 3HG PRO 32 0.933 -17.949 -9.491 254 1HD PRO 32 2HD PRO 32 -0.598 -15.701 -9.383 255 2HD PRO 32 3HD PRO 32 -1.163 -17.156 -10.259 256 H GLY 33 H GLY 33 -0.428 -15.843 -6.603 257 1HA GLY 33 2HA GLY 33 -0.040 -16.565 -3.886 258 2HA GLY 33 3HA GLY 33 0.152 -14.954 -4.601 259 H VAL 34 H VAL 34 -2.676 -14.977 -5.635 260 HA VAL 34 HA VAL 34 -3.911 -13.645 -3.403 261 HB VAL 34 HB VAL 34 -4.972 -14.526 -6.097 262 1HG1 VAL 34 1HG1 VAL 34 -6.378 -13.088 -3.805 263 2HG1 VAL 34 2HG1 VAL 34 -6.966 -13.132 -5.481 264 3HG1 VAL 34 3HG1 VAL 34 -6.861 -14.627 -4.554 265 1HG2 VAL 34 1HG2 VAL 34 -5.045 -12.076 -6.459 266 2HG2 VAL 34 2HG2 VAL 34 -4.444 -11.795 -4.822 267 3HG2 VAL 34 3HG2 VAL 34 -3.398 -12.575 -6.033 268 H THR 35 H THR 35 -4.410 -14.665 -1.648 269 HA THR 35 HA THR 35 -5.124 -17.526 -1.734 270 HB THR 35 HB THR 35 -4.491 -15.636 0.533 271 HG1 THR 35 1HG THR 35 -2.791 -16.308 -1.029 272 1HG2 THR 35 1HG2 THR 35 -5.921 -17.479 1.344 273 2HG2 THR 35 2HG2 THR 35 -4.877 -18.661 0.519 274 3HG2 THR 35 3HG2 THR 35 -4.246 -17.710 1.878 275 H ASP 36 H ASP 36 -6.396 -14.283 -0.720 276 HA ASP 36 HA ASP 36 -8.988 -15.181 -1.567 277 1HB ASP 36 2HB ASP 36 -8.630 -15.944 0.938 278 2HB ASP 36 3HB ASP 36 -9.012 -14.267 1.316 279 H ALA 37 H ALA 37 -9.068 -13.508 -3.014 280 HA ALA 37 HA ALA 37 -8.829 -10.719 -2.201 281 1HB ALA 37 1HB ALA 37 -9.847 -11.988 -4.778 282 2HB ALA 37 2HB ALA 37 -9.513 -10.267 -4.522 283 3HB ALA 37 3HB ALA 37 -8.185 -11.441 -4.478 284 H ASN 38 H ASN 38 -10.469 -9.595 -1.181 285 HA ASN 38 HA ASN 38 -13.267 -10.226 -1.943 286 1HB ASN 38 2HB ASN 38 -12.230 -9.951 0.896 287 2HB ASN 38 3HB ASN 38 -13.938 -9.964 0.428 288 1HD2 ASN 38 1HD2 ASN 38 -10.944 -11.923 0.522 289 2HD2 ASN 38 2HD2 ASN 38 -11.747 -13.458 0.198 290 H VAL 39 H VAL 39 -14.685 -8.352 -1.779 291 HA VAL 39 HA VAL 39 -13.409 -5.854 -0.688 292 HB VAL 39 HB VAL 39 -13.033 -5.709 -3.004 293 1HG1 VAL 39 1HG1 VAL 39 -14.579 -7.225 -3.999 294 2HG1 VAL 39 2HG1 VAL 39 -15.979 -6.281 -3.441 295 3HG1 VAL 39 3HG1 VAL 39 -14.868 -5.616 -4.660 296 1HG2 VAL 39 1HG2 VAL 39 -15.455 -3.952 -2.496 297 2HG2 VAL 39 2HG2 VAL 39 -13.921 -3.689 -1.669 298 3HG2 VAL 39 3HG2 VAL 39 -13.969 -3.609 -3.425 299 H ASN 40 H ASN 40 -14.367 -4.879 0.763 300 HA ASN 40 HA ASN 40 -17.192 -5.468 1.431 301 1HB ASN 40 2HB ASN 40 -14.931 -3.897 2.724 302 2HB ASN 40 3HB ASN 40 -16.610 -3.700 3.239 303 1HD2 ASN 40 1HD2 ASN 40 -17.230 -4.931 4.908 304 2HD2 ASN 40 2HD2 ASN 40 -16.565 -6.504 5.270 305 H LEU 41 H LEU 41 -17.860 -4.647 -0.686 306 HA LEU 41 HA LEU 41 -17.767 -1.994 -1.535 307 1HB LEU 41 2HB LEU 41 -19.891 -2.336 -2.591 308 2HB LEU 41 3HB LEU 41 -18.798 -3.697 -2.842 309 HG LEU 41 HG LEU 41 -20.208 -4.555 -0.657 310 1HD1 LEU 41 1HD1 LEU 41 -22.289 -3.166 -2.393 311 2HD1 LEU 41 2HD1 LEU 41 -22.553 -4.108 -0.923 312 3HD1 LEU 41 3HD1 LEU 41 -21.747 -2.532 -0.833 313 1HD2 LEU 41 1HD2 LEU 41 -20.878 -4.902 -3.612 314 2HD2 LEU 41 2HD2 LEU 41 -19.734 -5.865 -2.659 315 3HD2 LEU 41 3HD2 LEU 41 -21.470 -5.953 -2.305 316 H ALA 42 H ALA 42 -19.472 -3.236 1.225 317 HA ALA 42 HA ALA 42 -21.252 -1.127 1.728 318 1HB ALA 42 1HB ALA 42 -21.240 -3.253 3.016 319 2HB ALA 42 2HB ALA 42 -19.673 -2.804 3.737 320 3HB ALA 42 3HB ALA 42 -21.124 -1.849 4.100 321 H THR 43 H THR 43 -17.734 -1.358 2.246 322 HA THR 43 HA THR 43 -17.742 1.569 2.864 323 HB THR 43 HB THR 43 -15.599 1.030 4.178 324 HG1 THR 43 1HG THR 43 -16.813 -1.535 4.239 325 1HG2 THR 43 1HG2 THR 43 -17.736 1.655 5.272 326 2HG2 THR 43 2HG2 THR 43 -18.248 -0.043 5.265 327 3HG2 THR 43 3HG2 THR 43 -16.835 0.455 6.217 328 H GLU 44 H GLU 44 -17.562 -0.096 0.318 329 HA GLU 44 HA GLU 44 -16.211 -0.450 -1.501 330 1HB GLU 44 2HB GLU 44 -15.590 2.458 -0.886 331 2HB GLU 44 3HB GLU 44 -15.293 1.653 -2.434 332 1HG GLU 44 2HG GLU 44 -17.711 1.130 -2.642 333 2HG GLU 44 3HG GLU 44 -18.030 2.003 -1.132 334 H THR 45 H THR 45 -14.870 -1.602 0.752 335 HA THR 45 HA THR 45 -12.071 -0.627 0.570 336 HB THR 45 HB THR 45 -13.736 -1.980 2.726 337 HG1 THR 45 1HG THR 45 -13.786 0.372 2.345 338 1HG2 THR 45 1HG2 THR 45 -11.473 -2.961 2.831 339 2HG2 THR 45 2HG2 THR 45 -10.788 -1.329 2.611 340 3HG2 THR 45 3HG2 THR 45 -11.694 -1.736 4.094 341 H VAL 46 H VAL 46 -11.025 -1.843 -0.932 342 HA VAL 46 HA VAL 46 -11.784 -4.640 -1.406 343 HB VAL 46 HB VAL 46 -11.438 -3.405 -3.373 344 1HG1 VAL 46 1HG1 VAL 46 -10.032 -1.544 -2.775 345 2HG1 VAL 46 2HG1 VAL 46 -8.681 -2.615 -2.330 346 3HG1 VAL 46 3HG1 VAL 46 -9.200 -2.479 -4.011 347 1HG2 VAL 46 1HG2 VAL 46 -10.600 -5.762 -3.232 348 2HG2 VAL 46 2HG2 VAL 46 -9.807 -4.774 -4.477 349 3HG2 VAL 46 3HG2 VAL 46 -8.976 -5.097 -2.945 350 H ASN 47 H ASN 47 -10.957 -6.178 -0.244 351 HA ASN 47 HA ASN 47 -8.519 -5.669 1.349 352 1HB ASN 47 2HB ASN 47 -9.515 -7.046 3.129 353 2HB ASN 47 3HB ASN 47 -10.235 -5.457 2.893 354 1HD2 ASN 47 1HD2 ASN 47 -12.387 -5.344 1.694 355 2HD2 ASN 47 2HD2 ASN 47 -13.474 -6.645 2.190 356 H VAL 48 H VAL 48 -7.027 -6.784 0.301 357 HA VAL 48 HA VAL 48 -7.772 -9.417 -0.903 358 HB VAL 48 HB VAL 48 -5.381 -7.778 -1.751 359 1HG1 VAL 48 1HG1 VAL 48 -5.620 -10.189 -2.478 360 2HG1 VAL 48 2HG1 VAL 48 -7.138 -9.730 -3.273 361 3HG1 VAL 48 3HG1 VAL 48 -5.622 -9.026 -3.817 362 1HG2 VAL 48 1HG2 VAL 48 -6.819 -6.909 -3.627 363 2HG2 VAL 48 2HG2 VAL 48 -8.245 -7.493 -2.742 364 3HG2 VAL 48 3HG2 VAL 48 -7.204 -6.224 -2.045 365 H ILE 49 H ILE 49 -6.926 -11.199 0.014 366 HA ILE 49 HA ILE 49 -4.525 -10.892 1.735 367 HB ILE 49 HB ILE 49 -6.793 -12.900 1.728 368 1HG1 ILE 49 2HG1 ILE 49 -5.751 -11.384 4.121 369 2HG1 ILE 49 3HG1 ILE 49 -6.728 -10.493 2.952 370 1HG2 ILE 49 1HG2 ILE 49 -5.635 -14.039 3.625 371 2HG2 ILE 49 2HG2 ILE 49 -4.764 -14.224 2.109 372 3HG2 ILE 49 3HG2 ILE 49 -4.185 -13.082 3.309 373 1HD1 ILE 49 1HD1 ILE 49 -8.121 -11.356 4.754 374 2HD1 ILE 49 2HD1 ILE 49 -8.577 -12.068 3.193 375 3HD1 ILE 49 3HD1 ILE 49 -7.640 -13.022 4.370 376 H TYR 50 H TYR 50 -2.652 -11.806 1.030 377 HA TYR 50 HA TYR 50 -2.688 -13.880 -0.981 378 1HB TYR 50 2HB TYR 50 -1.519 -12.536 -2.727 379 2HB TYR 50 3HB TYR 50 -3.141 -11.933 -2.409 380 HD1 TYR 50 HD1 TYR 50 0.440 -11.110 -2.180 381 HD2 TYR 50 HD2 TYR 50 -3.583 -9.865 -1.281 382 HE1 TYR 50 HE1 TYR 50 1.216 -8.770 -1.917 383 HE2 TYR 50 HE2 TYR 50 -2.840 -7.542 -1.101 384 HH TYR 50 HH TYR 50 -1.040 -6.098 -1.226 385 H ASP 51 H ASP 51 -0.506 -14.499 -1.685 386 HA ASP 51 HA ASP 51 1.242 -14.496 0.620 387 1HB ASP 51 2HB ASP 51 0.717 -16.472 -0.866 388 2HB ASP 51 3HB ASP 51 1.784 -15.757 -2.087 389 HA PRO 52 HA PRO 52 3.328 -10.898 -1.100 390 1HB PRO 52 2HB PRO 52 5.156 -10.378 0.869 391 2HB PRO 52 3HB PRO 52 3.399 -10.252 1.148 392 1HG PRO 52 2HG PRO 52 5.171 -12.630 1.773 393 2HG PRO 52 3HG PRO 52 4.059 -11.781 2.885 394 1HD PRO 52 2HD PRO 52 3.313 -14.023 1.543 395 2HD PRO 52 3HD PRO 52 2.155 -12.682 1.803 396 H ALA 53 H ALA 53 4.219 -13.668 -1.956 397 HA ALA 53 HA ALA 53 6.956 -12.925 -2.872 398 1HB ALA 53 1HB ALA 53 7.238 -14.194 -0.761 399 2HB ALA 53 2HB ALA 53 6.310 -15.542 -1.454 400 3HB ALA 53 3HB ALA 53 7.874 -15.083 -2.158 401 H GLU 54 H GLU 54 3.962 -13.922 -3.830 402 HA GLU 54 HA GLU 54 5.067 -15.247 -6.274 403 1HB GLU 54 2HB GLU 54 2.357 -15.515 -4.913 404 2HB GLU 54 3HB GLU 54 2.801 -16.184 -6.491 405 1HG GLU 54 2HG GLU 54 4.730 -17.397 -5.293 406 2HG GLU 54 3HG GLU 54 3.958 -16.932 -3.767 407 H THR 55 H THR 55 2.830 -12.769 -4.945 408 HA THR 55 HA THR 55 1.996 -12.085 -7.728 409 HB THR 55 HB THR 55 0.601 -12.197 -5.052 410 HG1 THR 55 1HG THR 55 -0.851 -13.380 -6.407 411 1HG2 THR 55 1HG2 THR 55 -1.381 -11.229 -6.369 412 2HG2 THR 55 2HG2 THR 55 -0.110 -10.137 -5.785 413 3HG2 THR 55 3HG2 THR 55 -0.158 -10.615 -7.508 414 H GLY 56 H GLY 56 1.719 -10.190 -4.690 415 1HA GLY 56 2HA GLY 56 3.412 -8.626 -4.006 416 2HA GLY 56 3HA GLY 56 3.803 -8.289 -5.694 417 H THR 57 H THR 57 2.388 -6.969 -3.188 418 HA THR 57 HA THR 57 -0.028 -5.848 -3.565 419 HB THR 57 HB THR 57 1.515 -5.258 -1.756 420 HG1 THR 57 1HG THR 57 0.956 -2.915 -1.833 421 1HG2 THR 57 1HG2 THR 57 2.867 -3.328 -3.632 422 2HG2 THR 57 2HG2 THR 57 3.226 -3.696 -1.938 423 3HG2 THR 57 3HG2 THR 57 3.479 -4.941 -3.184 424 H ALA 58 H ALA 58 2.816 -4.794 -5.431 425 HA ALA 58 HA ALA 58 1.420 -2.698 -6.833 426 1HB ALA 58 1HB ALA 58 3.984 -4.188 -7.564 427 2HB ALA 58 2HB ALA 58 3.415 -2.660 -8.272 428 3HB ALA 58 3HB ALA 58 3.872 -2.722 -6.559 429 H ALA 59 H ALA 59 1.847 -6.213 -7.479 430 HA ALA 59 HA ALA 59 0.811 -6.007 -10.201 431 1HB ALA 59 1HB ALA 59 0.741 -8.406 -10.125 432 2HB ALA 59 2HB ALA 59 2.312 -7.831 -9.521 433 3HB ALA 59 3HB ALA 59 1.072 -8.414 -8.380 434 H ILE 60 H ILE 60 -0.401 -6.707 -6.919 435 HA ILE 60 HA ILE 60 -3.055 -7.479 -7.577 436 HB ILE 60 HB ILE 60 -2.300 -5.744 -5.203 437 1HG1 ILE 60 2HG1 ILE 60 -0.931 -7.996 -5.498 438 2HG1 ILE 60 3HG1 ILE 60 -1.525 -7.410 -3.955 439 1HG2 ILE 60 1HG2 ILE 60 -4.594 -7.664 -5.558 440 2HG2 ILE 60 2HG2 ILE 60 -4.157 -6.825 -4.055 441 3HG2 ILE 60 3HG2 ILE 60 -4.680 -5.895 -5.467 442 1HD1 ILE 60 1HD1 ILE 60 -2.933 -9.494 -5.624 443 2HD1 ILE 60 2HD1 ILE 60 -1.789 -9.793 -4.286 444 3HD1 ILE 60 3HD1 ILE 60 -3.311 -8.975 -3.950 445 H GLN 61 H GLN 61 -1.743 -4.244 -6.706 446 HA GLN 61 HA GLN 61 -4.160 -2.912 -7.415 447 1HB GLN 61 2HB GLN 61 -3.227 -1.002 -6.636 448 2HB GLN 61 3HB GLN 61 -2.299 -2.219 -5.782 449 1HG GLN 61 2HG GLN 61 -0.542 -0.990 -6.406 450 2HG GLN 61 3HG GLN 61 -0.649 -1.826 -7.950 451 1HE2 GLN 61 1HE2 GLN 61 -2.944 -0.413 -9.108 452 2HE2 GLN 61 2HE2 GLN 61 -2.485 1.260 -9.199 453 H GLU 62 H GLU 62 -1.234 -3.741 -9.343 454 HA GLU 62 HA GLU 62 -1.891 -2.145 -11.598 455 1HB GLU 62 2HB GLU 62 0.267 -3.387 -11.403 456 2HB GLU 62 3HB GLU 62 -0.625 -4.916 -11.567 457 1HG GLU 62 2HG GLU 62 -1.468 -4.104 -13.756 458 2HG GLU 62 3HG GLU 62 -0.404 -2.696 -13.643 459 H LYS 63 H LYS 63 -3.165 -5.346 -10.406 460 HA LYS 63 HA LYS 63 -4.515 -5.908 -12.844 461 1HB LYS 63 2HB LYS 63 -4.074 -7.222 -10.335 462 2HB LYS 63 3HB LYS 63 -5.804 -7.013 -10.491 463 1HG LYS 63 2HG LYS 63 -5.293 -9.099 -11.444 464 2HG LYS 63 3HG LYS 63 -5.683 -8.016 -12.786 465 1HD LYS 63 2HD LYS 63 -2.796 -7.960 -12.076 466 2HD LYS 63 3HD LYS 63 -3.333 -9.605 -12.355 467 1HE LYS 63 2HE LYS 63 -3.577 -7.279 -14.333 468 2HE LYS 63 3HE LYS 63 -2.373 -8.566 -14.375 469 1HZ LYS 63 1HZ LYS 63 -5.278 -8.945 -14.678 470 2HZ LYS 63 2HZ LYS 63 -4.156 -9.014 -15.877 471 3HZ LYS 63 3HZ LYS 63 -4.155 -10.149 -14.687 472 H ILE 64 H ILE 64 -5.573 -4.413 -9.763 473 HA ILE 64 HA ILE 64 -8.258 -3.915 -10.447 474 HB ILE 64 HB ILE 64 -6.342 -2.211 -8.796 475 1HG1 ILE 64 2HG1 ILE 64 -8.394 -4.334 -7.970 476 2HG1 ILE 64 3HG1 ILE 64 -6.653 -4.604 -8.029 477 1HG2 ILE 64 1HG2 ILE 64 -8.283 -0.883 -9.460 478 2HG2 ILE 64 2HG2 ILE 64 -9.383 -2.190 -8.964 479 3HG2 ILE 64 3HG2 ILE 64 -8.428 -1.298 -7.764 480 1HD1 ILE 64 1HD1 ILE 64 -6.348 -2.758 -6.347 481 2HD1 ILE 64 2HD1 ILE 64 -8.115 -2.749 -6.138 482 3HD1 ILE 64 3HD1 ILE 64 -7.190 -4.207 -5.765 483 H GLU 65 H GLU 65 -5.328 -1.894 -11.158 484 HA GLU 65 HA GLU 65 -6.897 0.041 -12.565 485 1HB GLU 65 2HB GLU 65 -3.912 -0.513 -12.708 486 2HB GLU 65 3HB GLU 65 -4.753 0.835 -13.498 487 1HG GLU 65 2HG GLU 65 -5.676 1.527 -11.255 488 2HG GLU 65 3HG GLU 65 -4.672 0.293 -10.497 489 H LYS 66 H LYS 66 -5.111 -2.784 -13.834 490 HA LYS 66 HA LYS 66 -5.746 -2.260 -16.562 491 1HB LYS 66 2HB LYS 66 -5.282 -4.909 -15.225 492 2HB LYS 66 3HB LYS 66 -5.308 -4.618 -16.984 493 1HG LYS 66 2HG LYS 66 -3.535 -2.655 -15.916 494 2HG LYS 66 3HG LYS 66 -3.274 -4.121 -15.004 495 1HD LYS 66 2HD LYS 66 -3.006 -5.269 -17.397 496 2HD LYS 66 3HD LYS 66 -2.774 -3.580 -17.942 497 1HE LYS 66 2HE LYS 66 -1.174 -3.335 -15.927 498 2HE LYS 66 3HE LYS 66 -1.301 -5.113 -15.752 499 1HZ LYS 66 1HZ LYS 66 -0.078 -3.673 -17.995 500 2HZ LYS 66 2HZ LYS 66 0.634 -4.383 -16.681 501 3HZ LYS 66 3HZ LYS 66 -0.142 -5.328 -17.804 502 H LEU 67 H LEU 67 -7.685 -3.739 -13.941 503 HA LEU 67 HA LEU 67 -9.746 -4.735 -15.689 504 1HB LEU 67 2HB LEU 67 -9.347 -4.388 -12.764 505 2HB LEU 67 3HB LEU 67 -10.991 -4.408 -13.354 506 HG LEU 67 HG LEU 67 -9.499 -6.575 -14.636 507 1HD1 LEU 67 1HD1 LEU 67 -9.532 -6.483 -11.611 508 2HD1 LEU 67 2HD1 LEU 67 -9.309 -7.962 -12.582 509 3HD1 LEU 67 3HD1 LEU 67 -8.144 -6.638 -12.719 510 1HD2 LEU 67 1HD2 LEU 67 -11.889 -6.534 -12.749 511 2HD2 LEU 67 2HD2 LEU 67 -11.980 -6.336 -14.516 512 3HD2 LEU 67 3HD2 LEU 67 -11.410 -7.868 -13.819 513 H GLY 68 H GLY 68 -8.787 -1.540 -15.167 514 1HA GLY 68 2HA GLY 68 -9.665 0.214 -16.346 515 2HA GLY 68 3HA GLY 68 -11.218 -0.611 -16.525 516 H TYR 69 H TYR 69 -9.325 0.006 -13.557 517 HA TYR 69 HA TYR 69 -11.411 1.874 -12.528 518 1HB TYR 69 2HB TYR 69 -10.143 -0.361 -10.925 519 2HB TYR 69 3HB TYR 69 -11.445 0.709 -10.411 520 HD1 TYR 69 HD1 TYR 69 -10.904 -2.561 -11.130 521 HD2 TYR 69 HD2 TYR 69 -13.465 0.652 -12.447 522 HE1 TYR 69 HE1 TYR 69 -12.621 -4.199 -11.874 523 HE2 TYR 69 HE2 TYR 69 -15.021 -0.993 -13.425 524 HH TYR 69 HH TYR 69 -15.642 -3.240 -13.383 525 H HIS 70 H HIS 70 -10.459 2.698 -10.256 526 HA HIS 70 HA HIS 70 -7.534 3.055 -10.389 527 1HB HIS 70 2HB HIS 70 -9.558 5.324 -10.307 528 2HB HIS 70 3HB HIS 70 -7.929 5.479 -9.645 529 HD1 HIS 70 1HD HIS 70 -9.681 5.282 -13.028 530 HD2 HIS 70 2HD HIS 70 -5.836 5.515 -11.334 531 HE1 HIS 70 1HE HIS 70 -8.081 5.917 -14.918 532 H VAL 71 H VAL 71 -6.626 3.079 -8.406 533 HA VAL 71 HA VAL 71 -8.306 2.407 -6.062 534 HB VAL 71 HB VAL 71 -6.119 2.003 -4.999 535 1HG1 VAL 71 1HG1 VAL 71 -7.367 0.178 -6.069 536 2HG1 VAL 71 2HG1 VAL 71 -6.523 0.485 -7.606 537 3HG1 VAL 71 3HG1 VAL 71 -5.616 -0.075 -6.188 538 1HG2 VAL 71 1HG2 VAL 71 -4.880 2.364 -7.781 539 2HG2 VAL 71 2HG2 VAL 71 -4.713 3.538 -6.465 540 3HG2 VAL 71 3HG2 VAL 71 -4.055 1.902 -6.295 541 H VAL 72 H VAL 72 -8.243 3.665 -4.111 542 HA VAL 72 HA VAL 72 -8.053 6.544 -4.753 543 HB VAL 72 HB VAL 72 -9.059 5.049 -2.309 544 1HG1 VAL 72 1HG1 VAL 72 -9.304 7.990 -3.116 545 2HG1 VAL 72 2HG1 VAL 72 -10.348 7.218 -1.908 546 3HG1 VAL 72 3HG1 VAL 72 -8.629 7.360 -1.598 547 1HG2 VAL 72 1HG2 VAL 72 -10.563 6.285 -4.641 548 2HG2 VAL 72 2HG2 VAL 72 -10.398 4.545 -4.324 549 3HG2 VAL 72 3HG2 VAL 72 -11.302 5.558 -3.203 550 H THR 73 H THR 73 -5.581 5.429 -4.962 551 HA THR 73 HA THR 73 -4.172 5.740 -2.370 552 HB THR 73 HB THR 73 -3.021 4.517 -4.867 553 HG1 THR 73 1HG THR 73 -3.908 2.555 -4.208 554 1HG2 THR 73 1HG2 THR 73 -1.717 3.234 -3.248 555 2HG2 THR 73 2HG2 THR 73 -1.628 4.934 -2.771 556 3HG2 THR 73 3HG2 THR 73 -2.737 3.819 -1.918 557 H GLU 74 H GLU 74 -2.286 7.093 -2.260 558 HA GLU 74 HA GLU 74 -1.908 8.959 -4.540 559 1HB GLU 74 2HB GLU 74 -3.561 9.752 -2.665 560 2HB GLU 74 3HB GLU 74 -2.109 9.851 -1.655 561 1HG GLU 74 2HG GLU 74 -1.144 11.312 -3.621 562 2HG GLU 74 3HG GLU 74 -2.829 11.395 -4.170 563 H LYS 75 H LYS 75 0.111 9.791 -4.651 564 HA LYS 75 HA LYS 75 2.306 8.420 -3.177 565 1HB LYS 75 2HB LYS 75 3.664 8.794 -5.043 566 2HB LYS 75 3HB LYS 75 2.116 8.142 -5.609 567 1HG LYS 75 2HG LYS 75 1.438 10.555 -6.108 568 2HG LYS 75 3HG LYS 75 3.167 10.925 -5.893 569 1HD LYS 75 2HD LYS 75 3.749 9.228 -7.627 570 2HD LYS 75 3HD LYS 75 2.041 8.841 -7.829 571 1HE LYS 75 2HE LYS 75 2.811 10.343 -9.620 572 2HE LYS 75 3HE LYS 75 1.535 11.088 -8.646 573 1HZ LYS 75 1HZ LYS 75 3.206 12.338 -7.484 574 2HZ LYS 75 2HZ LYS 75 4.420 11.615 -8.329 575 3HZ LYS 75 3HZ LYS 75 3.349 12.604 -9.098 576 H ALA 76 H ALA 76 2.342 9.536 -1.308 577 HA ALA 76 HA ALA 76 2.620 12.540 -1.440 578 1HB ALA 76 1HB ALA 76 1.015 11.688 0.182 579 2HB ALA 76 2HB ALA 76 2.280 10.703 0.952 580 3HB ALA 76 3HB ALA 76 2.383 12.479 0.985 581 H GLU 77 H GLU 77 4.518 13.568 -0.421 582 HA GLU 77 HA GLU 77 6.932 11.836 -0.543 583 1HB GLU 77 2HB GLU 77 6.245 14.612 -1.495 584 2HB GLU 77 3HB GLU 77 7.865 14.387 -0.830 585 1HG GLU 77 2HG GLU 77 6.845 12.470 -2.925 586 2HG GLU 77 3HG GLU 77 7.585 14.024 -3.330 587 H PHE 78 H PHE 78 8.030 11.550 1.223 588 HA PHE 78 HA PHE 78 7.714 13.424 3.530 589 1HB PHE 78 2HB PHE 78 7.671 10.411 3.366 590 2HB PHE 78 3HB PHE 78 8.257 11.243 4.803 591 HD1 PHE 78 1HD PHE 78 5.227 11.286 2.495 592 HD2 PHE 78 2HD PHE 78 6.758 11.796 6.490 593 HE1 PHE 78 1HE PHE 78 2.985 11.908 3.285 594 HE2 PHE 78 2HE PHE 78 4.550 12.415 7.270 595 HZ PHE 78 HZ PHE 78 2.633 12.529 5.659 596 H ASP 79 H ASP 79 9.460 13.643 4.808 597 HA ASP 79 HA ASP 79 12.166 13.113 3.646 598 1HB ASP 79 2HB ASP 79 12.028 15.299 3.479 599 2HB ASP 79 3HB ASP 79 10.739 15.504 4.695 600 H ILE 80 H ILE 80 13.752 12.177 5.044 601 HA ILE 80 HA ILE 80 12.612 11.192 7.633 602 HB ILE 80 HB ILE 80 14.626 9.735 5.986 603 1HG1 ILE 80 2HG1 ILE 80 11.643 9.557 5.425 604 2HG1 ILE 80 3HG1 ILE 80 12.838 10.275 4.345 605 1HG2 ILE 80 1HG2 ILE 80 13.538 7.790 7.118 606 2HG2 ILE 80 2HG2 ILE 80 14.027 9.013 8.301 607 3HG2 ILE 80 3HG2 ILE 80 12.327 8.876 7.815 608 1HD1 ILE 80 1HD1 ILE 80 12.291 7.488 4.790 609 2HD1 ILE 80 2HD1 ILE 80 13.074 8.348 3.436 610 3HD1 ILE 80 3HD1 ILE 80 14.034 7.895 4.837 611 H GLU 81 H GLU 81 13.788 11.719 9.438 612 HA GLU 81 HA GLU 81 16.690 12.425 9.048 613 1HB GLU 81 2HB GLU 81 15.007 13.359 11.337 614 2HB GLU 81 3HB GLU 81 16.564 13.964 10.794 615 1HG GLU 81 2HG GLU 81 15.471 14.905 8.787 616 2HG GLU 81 3HG GLU 81 13.915 14.235 9.301 617 H GLY 82 H GLY 82 17.904 10.717 9.671 618 1HA GLY 82 2HA GLY 82 18.090 9.780 12.256 619 2HA GLY 82 3HA GLY 82 16.925 8.679 11.502 620 H MET 83 H MET 83 17.887 8.344 8.940 621 HA MET 83 HA MET 83 19.643 6.276 9.408 622 1HB MET 83 2HB MET 83 19.322 7.632 6.710 623 2HB MET 83 3HB MET 83 19.681 5.943 7.048 624 1HG MET 83 2HG MET 83 17.467 5.663 6.641 625 2HG MET 83 3HG MET 83 17.267 6.158 8.320 626 1HE MET 83 1HE MET 83 18.040 8.354 5.038 627 2HE MET 83 2HE MET 83 16.929 7.049 4.559 628 3HE MET 83 3HE MET 83 16.361 8.723 4.603 629 H THR 84 H THR 84 21.728 6.365 10.099 630 HA THR 84 HA THR 84 23.571 8.445 9.209 631 HB THR 84 HB THR 84 25.113 6.916 10.610 632 HG1 THR 84 1HG THR 84 23.900 5.457 11.928 633 1HG2 THR 84 1HG2 THR 84 22.597 8.065 11.918 634 2HG2 THR 84 2HG2 THR 84 24.137 7.720 12.736 635 3HG2 THR 84 3HG2 THR 84 24.055 8.985 11.497 636 H CYS 85 H CYS 85 22.556 5.276 8.105 637 HA CYS 85 HA CYS 85 24.359 5.345 5.872 638 1HB CYS 85 2HB CYS 85 25.377 4.070 8.219 639 2HB CYS 85 3HB CYS 85 24.816 2.747 7.193 640 HG CYS 85 HG CYS 85 26.090 3.549 5.030 641 H ALA 86 H ALA 86 23.999 3.035 4.703 642 HA ALA 86 HA ALA 86 21.204 3.057 4.116 643 1HB ALA 86 1HB ALA 86 23.436 1.283 3.061 644 2HB ALA 86 2HB ALA 86 21.846 1.532 2.311 645 3HB ALA 86 3HB ALA 86 22.988 2.882 2.425 646 H ALA 87 H ALA 87 21.228 2.228 6.699 647 HA ALA 87 HA ALA 87 20.393 -0.657 6.600 648 1HB ALA 87 1HB ALA 87 22.442 -0.386 7.906 649 2HB ALA 87 2HB ALA 87 21.681 0.883 8.888 650 3HB ALA 87 3HB ALA 87 21.069 -0.784 8.957 651 H CYS 88 H CYS 88 19.885 2.589 8.188 652 HA CYS 88 HA CYS 88 17.459 1.783 9.527 653 1HB CYS 88 2HB CYS 88 18.662 4.433 8.690 654 2HB CYS 88 3HB CYS 88 17.255 4.294 9.774 655 HG CYS 88 HG CYS 88 20.181 2.825 10.258 656 H ALA 89 H ALA 89 18.303 3.330 6.410 657 HA ALA 89 HA ALA 89 15.657 3.821 5.481 658 1HB ALA 89 1HB ALA 89 18.187 3.187 3.895 659 2HB ALA 89 2HB ALA 89 16.703 3.926 3.259 660 3HB ALA 89 3HB ALA 89 17.675 4.799 4.451 661 H ASN 90 H ASN 90 17.743 0.905 5.407 662 HA ASN 90 HA ASN 90 16.067 -0.576 3.579 663 1HB ASN 90 2HB ASN 90 18.411 -1.197 5.348 664 2HB ASN 90 3HB ASN 90 17.285 -2.521 5.079 665 1HD2 ASN 90 1HD2 ASN 90 19.902 -0.704 3.604 666 2HD2 ASN 90 2HD2 ASN 90 19.750 -1.472 2.044 667 H ARG 91 H ARG 91 16.329 -0.390 7.123 668 HA ARG 91 HA ARG 91 14.228 -2.203 7.801 669 1HB ARG 91 2HB ARG 91 15.437 0.229 9.153 670 2HB ARG 91 3HB ARG 91 14.121 -0.635 9.893 671 1HG ARG 91 2HG ARG 91 16.411 -2.375 9.036 672 2HG ARG 91 3HG ARG 91 16.806 -1.123 10.204 673 1HD ARG 91 2HD ARG 91 16.274 -2.787 11.639 674 2HD ARG 91 3HD ARG 91 14.724 -1.943 11.555 675 HE ARG 91 HE ARG 91 14.887 -4.043 9.576 676 1HH1 ARG 91 2HH2 ARG 91 14.418 -3.508 13.026 677 2HH1 ARG 91 1HH2 ARG 91 13.855 -5.108 13.383 678 1HH2 ARG 91 2HH1 ARG 91 14.198 -6.234 10.016 679 2HH2 ARG 91 1HH1 ARG 91 13.718 -6.689 11.617 680 H ILE 92 H ILE 92 14.123 1.404 7.538 681 HA ILE 92 HA ILE 92 11.312 1.468 8.037 682 HB ILE 92 HB ILE 92 11.392 3.810 7.313 683 1HG1 ILE 92 2HG1 ILE 92 14.140 4.353 7.138 684 2HG1 ILE 92 3HG1 ILE 92 13.754 3.070 5.974 685 1HG2 ILE 92 1HG2 ILE 92 11.895 3.182 9.630 686 2HG2 ILE 92 2HG2 ILE 92 13.614 3.016 9.218 687 3HG2 ILE 92 3HG2 ILE 92 12.821 4.603 9.114 688 1HD1 ILE 92 1HD1 ILE 92 11.952 4.432 5.015 689 2HD1 ILE 92 2HD1 ILE 92 12.289 5.707 6.211 690 3HD1 ILE 92 3HD1 ILE 92 13.501 5.300 4.972 691 H GLU 93 H GLU 93 13.146 1.176 4.981 692 HA GLU 93 HA GLU 93 11.039 1.662 3.151 693 1HB GLU 93 2HB GLU 93 13.396 1.510 2.466 694 2HB GLU 93 3HB GLU 93 13.500 -0.141 3.078 695 1HG GLU 93 2HG GLU 93 11.662 -0.710 1.353 696 2HG GLU 93 3HG GLU 93 11.988 0.897 0.680 697 H LYS 94 H LYS 94 12.378 -1.437 4.445 698 HA LYS 94 HA LYS 94 10.379 -3.064 3.317 699 1HB LYS 94 2HB LYS 94 12.494 -3.400 5.390 700 2HB LYS 94 3HB LYS 94 11.088 -4.429 5.626 701 1HG LYS 94 2HG LYS 94 12.637 -5.658 4.275 702 2HG LYS 94 3HG LYS 94 11.209 -5.252 3.331 703 1HD LYS 94 2HD LYS 94 12.804 -4.742 1.776 704 2HD LYS 94 3HD LYS 94 12.695 -3.160 2.549 705 1HE LYS 94 2HE LYS 94 14.663 -3.772 3.986 706 2HE LYS 94 3HE LYS 94 14.779 -5.326 3.143 707 1HZ LYS 94 1HZ LYS 94 14.947 -2.699 1.817 708 2HZ LYS 94 2HZ LYS 94 16.261 -3.564 2.238 709 3HZ LYS 94 3HZ LYS 94 15.206 -4.130 1.101 710 H ARG 95 H ARG 95 10.171 -1.039 6.150 711 HA ARG 95 HA ARG 95 7.695 -2.325 7.136 712 1HB ARG 95 2HB ARG 95 9.250 0.173 7.858 713 2HB ARG 95 3HB ARG 95 7.622 -0.093 8.480 714 1HG ARG 95 2HG ARG 95 9.654 -2.334 8.688 715 2HG ARG 95 3HG ARG 95 9.781 -0.950 9.764 716 1HD ARG 95 2HD ARG 95 7.447 -1.237 10.513 717 2HD ARG 95 3HD ARG 95 7.195 -2.583 9.424 718 HE ARG 95 HE ARG 95 8.557 -2.532 12.005 719 1HH1 ARG 95 2HH2 ARG 95 8.328 -4.297 8.973 720 2HH1 ARG 95 1HH2 ARG 95 8.662 -5.862 9.648 721 1HH2 ARG 95 2HH1 ARG 95 9.052 -4.573 12.960 722 2HH2 ARG 95 1HH1 ARG 95 9.121 -6.008 11.988 723 H LEU 96 H LEU 96 8.387 0.955 5.917 724 HA LEU 96 HA LEU 96 5.848 1.882 5.472 725 1HB LEU 96 2HB LEU 96 8.435 2.458 4.126 726 2HB LEU 96 3HB LEU 96 6.932 3.204 3.566 727 HG LEU 96 HG LEU 96 7.377 3.241 6.532 728 1HD1 LEU 96 1HD1 LEU 96 8.780 5.139 4.642 729 2HD1 LEU 96 2HD1 LEU 96 8.692 5.275 6.416 730 3HD1 LEU 96 3HD1 LEU 96 9.554 3.914 5.672 731 1HD2 LEU 96 1HD2 LEU 96 6.327 5.327 4.553 732 2HD2 LEU 96 2HD2 LEU 96 5.300 4.149 5.387 733 3HD2 LEU 96 3HD2 LEU 96 6.188 5.370 6.320 734 H ASN 97 H ASN 97 7.833 0.012 3.217 735 HA ASN 97 HA ASN 97 6.442 -0.154 0.912 736 1HB ASN 97 2HB ASN 97 8.611 -1.226 1.433 737 2HB ASN 97 3HB ASN 97 7.766 -2.495 2.328 738 1HD2 ASN 97 1HD2 ASN 97 8.200 -0.933 -0.864 739 2HD2 ASN 97 2HD2 ASN 97 7.795 -2.347 -1.814 740 H LYS 98 H LYS 98 5.353 -1.842 3.919 741 HA LYS 98 HA LYS 98 2.740 -1.982 2.702 742 1HB LYS 98 2HB LYS 98 2.358 -4.359 2.956 743 2HB LYS 98 3HB LYS 98 3.523 -4.025 1.688 744 1HG LYS 98 2HG LYS 98 4.558 -4.645 4.473 745 2HG LYS 98 3HG LYS 98 3.905 -5.944 3.511 746 1HD LYS 98 2HD LYS 98 6.026 -4.143 2.353 747 2HD LYS 98 3HD LYS 98 6.474 -5.366 3.536 748 1HE LYS 98 2HE LYS 98 5.521 -7.155 2.128 749 2HE LYS 98 3HE LYS 98 4.987 -5.949 0.934 750 1HZ LYS 98 1HZ LYS 98 7.791 -6.461 1.662 751 2HZ LYS 98 2HZ LYS 98 7.049 -6.992 0.292 752 3HZ LYS 98 3HZ LYS 98 7.245 -5.374 0.548 753 H ILE 99 H ILE 99 3.070 -0.391 4.720 754 HA ILE 99 HA ILE 99 2.933 -1.653 7.313 755 HB ILE 99 HB ILE 99 1.969 1.084 6.414 756 1HG1 ILE 99 2HG1 ILE 99 4.327 0.234 8.167 757 2HG1 ILE 99 3HG1 ILE 99 4.439 0.512 6.429 758 1HG2 ILE 99 1HG2 ILE 99 1.823 1.572 8.886 759 2HG2 ILE 99 2HG2 ILE 99 0.621 0.413 8.373 760 3HG2 ILE 99 3HG2 ILE 99 2.082 -0.145 9.214 761 1HD1 ILE 99 1HD1 ILE 99 5.189 2.498 7.624 762 2HD1 ILE 99 2HD1 ILE 99 3.689 2.854 6.739 763 3HD1 ILE 99 3HD1 ILE 99 3.667 2.620 8.500 764 H GLU 100 H GLU 100 0.318 -0.220 5.349 765 HA GLU 100 HA GLU 100 -1.482 -2.428 5.970 766 1HB GLU 100 2HB GLU 100 -1.653 0.161 7.388 767 2HB GLU 100 3HB GLU 100 -3.165 -0.197 6.550 768 1HG GLU 100 2HG GLU 100 -1.878 -2.255 8.324 769 2HG GLU 100 3HG GLU 100 -3.055 -1.051 8.868 770 H GLY 101 H GLY 101 -2.951 0.547 4.859 771 1HA GLY 101 2HA GLY 101 -3.450 -0.714 2.291 772 2HA GLY 101 3HA GLY 101 -4.092 0.824 2.889 773 H VAL 102 H VAL 102 -0.842 -0.516 2.252 774 HA VAL 102 HA VAL 102 -0.054 1.991 0.837 775 HB VAL 102 HB VAL 102 1.712 -0.058 2.188 776 1HG1 VAL 102 1HG1 VAL 102 2.890 1.080 0.414 777 2HG1 VAL 102 2HG1 VAL 102 2.181 2.648 0.863 778 3HG1 VAL 102 3HG1 VAL 102 3.366 1.895 1.908 779 1HG2 VAL 102 1HG2 VAL 102 2.035 1.613 3.943 780 2HG2 VAL 102 2HG2 VAL 102 0.894 2.713 3.157 781 3HG2 VAL 102 3HG2 VAL 102 0.317 1.192 3.849 782 H ALA 103 H ALA 103 0.289 1.900 -1.271 783 HA ALA 103 HA ALA 103 0.229 -0.663 -2.701 784 1HB ALA 103 1HB ALA 103 0.556 2.202 -3.678 785 2HB ALA 103 2HB ALA 103 0.516 0.761 -4.710 786 3HB ALA 103 3HB ALA 103 -0.908 1.188 -3.751 787 H ASN 104 H ASN 104 2.502 2.083 -2.015 788 HA ASN 104 HA ASN 104 4.813 0.283 -2.299 789 1HB ASN 104 2HB ASN 104 4.401 2.624 -4.226 790 2HB ASN 104 3HB ASN 104 5.899 1.730 -4.021 791 1HD2 ASN 104 1HD2 ASN 104 2.963 1.851 -5.773 792 2HD2 ASN 104 2HD2 ASN 104 3.109 0.262 -6.520 793 H ALA 105 H ALA 105 6.845 1.561 -1.963 794 HA ALA 105 HA ALA 105 6.658 4.167 -0.852 795 1HB ALA 105 1HB ALA 105 5.792 3.067 1.154 796 2HB ALA 105 2HB ALA 105 7.213 1.995 1.194 797 3HB ALA 105 3HB ALA 105 7.407 3.735 1.437 798 HA PRO 106 HA PRO 106 10.896 2.800 -2.226 799 1HB PRO 106 2HB PRO 106 11.351 4.576 -4.236 800 2HB PRO 106 3HB PRO 106 10.404 3.077 -4.471 801 1HG PRO 106 2HG PRO 106 9.365 5.863 -3.944 802 2HG PRO 106 3HG PRO 106 8.825 4.731 -5.213 803 1HD PRO 106 2HD PRO 106 7.483 4.978 -2.843 804 2HD PRO 106 3HD PRO 106 7.646 3.398 -3.652 805 H VAL 107 H VAL 107 12.616 3.611 -1.156 806 HA VAL 107 HA VAL 107 12.482 6.328 0.013 807 HB VAL 107 HB VAL 107 14.242 5.576 1.515 808 1HG1 VAL 107 1HG1 VAL 107 11.928 5.113 2.197 809 2HG1 VAL 107 2HG1 VAL 107 11.984 3.524 1.412 810 3HG1 VAL 107 3HG1 VAL 107 13.029 3.877 2.801 811 1HG2 VAL 107 1HG2 VAL 107 15.004 3.232 1.597 812 2HG2 VAL 107 2HG2 VAL 107 14.126 2.869 0.104 813 3HG2 VAL 107 3HG2 VAL 107 15.494 4.005 0.090 814 H ASN 108 H ASN 108 14.267 7.786 -0.259 815 HA ASN 108 HA ASN 108 16.143 7.209 -2.506 816 1HB ASN 108 2HB ASN 108 14.949 9.766 -1.356 817 2HB ASN 108 3HB ASN 108 16.348 9.771 -2.427 818 1HD2 ASN 108 1HD2 ASN 108 15.983 9.902 -4.599 819 2HD2 ASN 108 2HD2 ASN 108 14.425 9.579 -5.340 820 H PHE 109 H PHE 109 18.279 7.918 -2.211 821 HA PHE 109 HA PHE 109 19.177 8.294 0.619 822 1HB PHE 109 2HB PHE 109 19.544 6.040 -0.930 823 2HB PHE 109 3HB PHE 109 20.970 6.971 -1.346 824 HD1 PHE 109 1HD PHE 109 19.042 5.344 1.365 825 HD2 PHE 109 2HD PHE 109 22.670 7.475 0.444 826 HE1 PHE 109 1HE PHE 109 19.817 5.046 3.685 827 HE2 PHE 109 2HE PHE 109 23.450 7.149 2.760 828 HZ PHE 109 HZ PHE 109 22.001 5.986 4.409 829 H ALA 110 H ALA 110 18.629 10.045 -1.784 830 HA ALA 110 HA ALA 110 21.272 11.388 -2.165 831 1HB ALA 110 1HB ALA 110 18.626 11.739 -3.634 832 2HB ALA 110 2HB ALA 110 20.157 12.562 -4.009 833 3HB ALA 110 3HB ALA 110 20.026 10.804 -4.201 834 H LEU 111 H LEU 111 17.939 11.939 -1.063 835 HA LEU 111 HA LEU 111 18.812 14.286 0.522 836 1HB LEU 111 2HB LEU 111 16.315 15.094 -0.104 837 2HB LEU 111 3HB LEU 111 17.747 15.638 -0.948 838 HG LEU 111 HG LEU 111 16.295 13.197 -2.013 839 1HD1 LEU 111 1HD1 LEU 111 15.428 16.092 -2.416 840 2HD1 LEU 111 2HD1 LEU 111 14.863 14.702 -3.370 841 3HD1 LEU 111 3HD1 LEU 111 14.490 14.799 -1.644 842 1HD2 LEU 111 1HD2 LEU 111 17.121 14.073 -4.155 843 2HD2 LEU 111 2HD2 LEU 111 17.589 15.611 -3.406 844 3HD2 LEU 111 3HD2 LEU 111 18.495 14.150 -3.042 845 H GLU 112 H GLU 112 18.328 11.419 1.074 846 HA GLU 112 HA GLU 112 16.994 9.980 2.298 847 1HB GLU 112 2HB GLU 112 17.703 12.409 3.993 848 2HB GLU 112 3HB GLU 112 17.138 10.882 4.661 849 1HG GLU 112 2HG GLU 112 19.494 10.789 4.725 850 2HG GLU 112 3HG GLU 112 19.036 9.701 3.418 851 H THR 113 H THR 113 15.241 10.916 0.668 852 HA THR 113 HA THR 113 12.828 11.612 2.273 853 HB THR 113 HB THR 113 11.770 12.095 0.050 854 HG1 THR 113 1HG THR 113 12.947 12.084 -1.731 855 1HG2 THR 113 1HG2 THR 113 12.811 13.883 1.512 856 2HG2 THR 113 2HG2 THR 113 14.269 13.755 0.515 857 3HG2 THR 113 3HG2 THR 113 12.731 14.270 -0.215 858 H VAL 114 H VAL 114 10.845 10.530 1.607 859 HA VAL 114 HA VAL 114 11.154 7.996 0.193 860 HB VAL 114 HB VAL 114 11.364 7.265 2.487 861 1HG1 VAL 114 1HG1 VAL 114 9.785 7.640 4.238 862 2HG1 VAL 114 2HG1 VAL 114 10.170 9.243 3.588 863 3HG1 VAL 114 3HG1 VAL 114 8.647 8.437 3.150 864 1HG2 VAL 114 1HG2 VAL 114 9.579 5.652 2.603 865 2HG2 VAL 114 2HG2 VAL 114 8.524 6.646 1.591 866 3HG2 VAL 114 3HG2 VAL 114 9.975 5.894 0.901 867 H THR 115 H THR 115 9.579 7.743 -1.245 868 HA THR 115 HA THR 115 7.253 9.617 -1.167 869 HB THR 115 HB THR 115 7.907 7.338 -3.079 870 HG1 THR 115 1HG THR 115 8.771 9.988 -2.998 871 1HG2 THR 115 1HG2 THR 115 5.999 9.701 -3.300 872 2HG2 THR 115 2HG2 THR 115 6.342 8.503 -4.571 873 3HG2 THR 115 3HG2 THR 115 5.552 7.993 -3.067 874 H VAL 116 H VAL 116 5.397 8.850 -0.156 875 HA VAL 116 HA VAL 116 5.237 5.924 0.513 876 HB VAL 116 HB VAL 116 5.413 7.304 2.510 877 1HG1 VAL 116 1HG1 VAL 116 3.700 8.820 3.235 878 2HG1 VAL 116 2HG1 VAL 116 4.272 9.370 1.652 879 3HG1 VAL 116 3HG1 VAL 116 2.724 8.522 1.794 880 1HG2 VAL 116 1HG2 VAL 116 2.708 5.977 2.084 881 2HG2 VAL 116 2HG2 VAL 116 4.216 5.173 2.559 882 3HG2 VAL 116 3HG2 VAL 116 3.449 6.332 3.654 883 H GLU 117 H GLU 117 3.874 4.878 -0.829 884 HA GLU 117 HA GLU 117 1.898 6.506 -2.315 885 1HB GLU 117 2HB GLU 117 3.964 4.867 -3.257 886 2HB GLU 117 3HB GLU 117 2.578 3.775 -3.291 887 1HG GLU 117 2HG GLU 117 1.324 5.653 -4.525 888 2HG GLU 117 3HG GLU 117 2.929 6.431 -4.620 889 H TYR 118 H TYR 118 0.101 6.378 -0.947 890 HA TYR 118 HA TYR 118 -0.880 3.696 -0.211 891 1HB TYR 118 2HB TYR 118 -0.713 3.937 2.091 892 2HB TYR 118 3HB TYR 118 0.856 4.517 1.553 893 HD1 TYR 118 HD1 TYR 118 0.765 7.272 1.035 894 HD2 TYR 118 HD2 TYR 118 -1.788 5.107 3.749 895 HE1 TYR 118 HE1 TYR 118 0.436 9.325 2.362 896 HE2 TYR 118 HE2 TYR 118 -2.058 7.150 5.113 897 HH TYR 118 HH TYR 118 -0.516 10.249 4.228 898 H ASN 119 H ASN 119 -2.900 3.841 1.099 899 HA ASN 119 HA ASN 119 -4.660 5.749 -0.290 900 1HB ASN 119 2HB ASN 119 -4.883 3.148 0.015 901 2HB ASN 119 3HB ASN 119 -5.618 3.575 1.552 902 1HD2 ASN 119 1HD2 ASN 119 -6.302 2.796 -1.549 903 2HD2 ASN 119 2HD2 ASN 119 -7.851 3.565 -1.737 904 HA PRO 120 HA PRO 120 -4.256 7.991 3.649 905 1HB PRO 120 2HB PRO 120 -4.906 10.494 2.886 906 2HB PRO 120 3HB PRO 120 -3.440 9.697 2.259 907 1HG PRO 120 2HG PRO 120 -6.162 9.811 0.913 908 2HG PRO 120 3HG PRO 120 -4.588 10.315 0.224 909 1HD PRO 120 2HD PRO 120 -5.632 7.827 -0.199 910 2HD PRO 120 3HD PRO 120 -3.877 8.100 -0.008 911 H LYS 121 H LYS 121 -6.666 6.377 2.862 912 HA LYS 121 HA LYS 121 -8.808 7.863 4.322 913 1HB LYS 121 2HB LYS 121 -9.058 5.579 2.314 914 2HB LYS 121 3HB LYS 121 -10.375 6.476 3.070 915 1HG LYS 121 2HG LYS 121 -8.277 7.601 1.127 916 2HG LYS 121 3HG LYS 121 -9.911 7.142 0.733 917 1HD LYS 121 2HD LYS 121 -10.734 8.843 2.457 918 2HD LYS 121 3HD LYS 121 -9.048 9.379 2.616 919 1HE LYS 121 2HE LYS 121 -9.007 9.851 0.138 920 2HE LYS 121 3HE LYS 121 -10.732 9.447 0.069 921 1HZ LYS 121 1HZ LYS 121 -9.526 11.621 1.651 922 2HZ LYS 121 2HZ LYS 121 -10.392 11.799 0.264 923 3HZ LYS 121 3HZ LYS 121 -11.130 11.248 1.628 924 H GLU 122 H GLU 122 -7.579 4.582 3.565 925 HA GLU 122 HA GLU 122 -8.388 3.306 5.922 926 1HB GLU 122 2HB GLU 122 -6.084 2.812 3.984 927 2HB GLU 122 3HB GLU 122 -6.425 1.747 5.355 928 1HG GLU 122 2HG GLU 122 -7.411 0.859 3.338 929 2HG GLU 122 3HG GLU 122 -8.670 1.256 4.492 930 H ALA 123 H ALA 123 -5.289 4.945 5.151 931 HA ALA 123 HA ALA 123 -4.647 5.058 8.077 932 1HB ALA 123 1HB ALA 123 -2.283 4.730 7.505 933 2HB ALA 123 2HB ALA 123 -3.249 3.351 6.960 934 3HB ALA 123 3HB ALA 123 -2.707 4.566 5.787 935 H SER 124 H SER 124 -2.633 6.767 8.165 936 HA SER 124 HA SER 124 -2.879 9.043 6.416 937 1HB SER 124 2HB SER 124 -4.943 9.398 7.672 938 2HB SER 124 3HB SER 124 -4.096 9.154 9.213 939 HG SER 124 HG SER 124 -4.457 11.402 8.496 940 H VAL 125 H VAL 125 -1.304 10.692 7.133 941 HA VAL 125 HA VAL 125 1.157 10.022 7.783 942 HB VAL 125 HB VAL 125 -0.066 12.519 9.062 943 1HG1 VAL 125 1HG1 VAL 125 2.634 11.766 7.982 944 2HG1 VAL 125 2HG1 VAL 125 2.177 13.428 8.462 945 3HG1 VAL 125 3HG1 VAL 125 2.198 12.135 9.648 946 1HG2 VAL 125 1HG2 VAL 125 0.520 11.939 6.127 947 2HG2 VAL 125 2HG2 VAL 125 -0.957 12.617 6.837 948 3HG2 VAL 125 3HG2 VAL 125 0.509 13.591 6.792 949 H SER 126 H SER 126 -1.291 10.575 10.366 950 HA SER 126 HA SER 126 0.493 10.434 12.549 951 1HB SER 126 2HB SER 126 -2.402 9.508 12.452 952 2HB SER 126 3HB SER 126 -1.449 9.880 13.901 953 HG SER 126 HG SER 126 -2.560 11.619 12.047 954 H ASP 127 H ASP 127 -0.933 7.772 10.656 955 HA ASP 127 HA ASP 127 -0.130 5.623 12.414 956 1HB ASP 127 2HB ASP 127 -1.902 5.346 10.735 957 2HB ASP 127 3HB ASP 127 -0.766 5.741 9.428 958 H LEU 128 H LEU 128 1.205 7.193 9.535 959 HA LEU 128 HA LEU 128 3.560 5.626 9.201 960 1HB LEU 128 2HB LEU 128 3.189 8.569 8.529 961 2HB LEU 128 3HB LEU 128 4.421 7.492 7.901 962 HG LEU 128 HG LEU 128 1.436 7.303 7.441 963 1HD1 LEU 128 1HD1 LEU 128 2.644 9.077 6.191 964 2HD1 LEU 128 2HD1 LEU 128 3.775 7.854 5.580 965 3HD1 LEU 128 3HD1 LEU 128 2.058 7.801 5.104 966 1HD2 LEU 128 1HD2 LEU 128 3.674 5.441 6.558 967 2HD2 LEU 128 2HD2 LEU 128 2.215 5.009 7.478 968 3HD2 LEU 128 3HD2 LEU 128 2.081 5.473 5.780 969 H LYS 129 H LYS 129 2.996 8.667 10.963 970 HA LYS 129 HA LYS 129 5.637 8.918 12.008 971 1HB LYS 129 2HB LYS 129 2.999 10.064 12.942 972 2HB LYS 129 3HB LYS 129 4.561 10.427 13.696 973 1HG LYS 129 2HG LYS 129 5.417 10.956 11.318 974 2HG LYS 129 3HG LYS 129 3.750 11.036 10.808 975 1HD LYS 129 2HD LYS 129 4.994 12.709 13.065 976 2HD LYS 129 3HD LYS 129 5.052 13.178 11.367 977 1HE LYS 129 2HE LYS 129 3.326 14.383 12.638 978 2HE LYS 129 3HE LYS 129 2.760 13.580 11.188 979 1HZ LYS 129 1HZ LYS 129 1.252 13.188 13.017 980 2HZ LYS 129 2HZ LYS 129 1.971 11.774 12.588 981 3HZ LYS 129 3HZ LYS 129 2.459 12.557 13.947 982 H GLU 130 H GLU 130 2.686 7.342 13.411 983 HA GLU 130 HA GLU 130 3.898 6.491 15.808 984 1HB GLU 130 2HB GLU 130 1.435 6.147 14.624 985 2HB GLU 130 3HB GLU 130 2.069 4.514 14.491 986 1HG GLU 130 2HG GLU 130 2.015 6.126 17.095 987 2HG GLU 130 3HG GLU 130 0.684 5.120 16.534 988 H ALA 131 H ALA 131 3.848 4.900 12.607 989 HA ALA 131 HA ALA 131 5.201 2.538 13.377 990 1HB ALA 131 1HB ALA 131 3.884 2.764 11.301 991 2HB ALA 131 2HB ALA 131 5.088 3.886 10.640 992 3HB ALA 131 3HB ALA 131 5.533 2.199 10.961 993 H VAL 132 H VAL 132 6.510 5.615 11.911 994 HA VAL 132 HA VAL 132 9.122 4.447 11.807 995 HB VAL 132 HB VAL 132 8.146 6.215 10.306 996 1HG1 VAL 132 1HG1 VAL 132 7.391 7.714 12.095 997 2HG1 VAL 132 2HG1 VAL 132 9.066 8.087 12.553 998 3HG1 VAL 132 3HG1 VAL 132 8.433 8.568 10.983 999 1HG2 VAL 132 1HG2 VAL 132 10.912 6.739 11.471 1000 2HG2 VAL 132 2HG2 VAL 132 10.533 5.395 10.369 1001 3HG2 VAL 132 3HG2 VAL 132 10.395 7.047 9.802 1002 H ASP 133 H ASP 133 7.348 6.429 14.201 1003 HA ASP 133 HA ASP 133 9.546 6.986 15.880 1004 1HB ASP 133 2HB ASP 133 6.544 6.768 16.223 1005 2HB ASP 133 3HB ASP 133 7.557 6.753 17.641 1006 H LYS 134 H LYS 134 7.245 4.272 15.707 1007 HA LYS 134 HA LYS 134 8.270 2.654 17.740 1008 1HB LYS 134 2HB LYS 134 6.170 2.490 16.182 1009 2HB LYS 134 3HB LYS 134 7.192 1.472 15.160 1010 1HG LYS 134 2HG LYS 134 7.458 -0.112 17.006 1011 2HG LYS 134 3HG LYS 134 6.616 1.017 18.105 1012 1HD LYS 134 2HD LYS 134 4.594 0.944 16.598 1013 2HD LYS 134 3HD LYS 134 5.430 -0.214 15.565 1014 1HE LYS 134 2HE LYS 134 3.912 -1.448 16.964 1015 2HE LYS 134 3HE LYS 134 5.556 -1.823 17.505 1016 1HZ LYS 134 1HZ LYS 134 3.741 0.152 18.750 1017 2HZ LYS 134 2HZ LYS 134 4.037 -1.363 19.331 1018 3HZ LYS 134 3HZ LYS 134 5.241 -0.243 19.296 1019 H LEU 135 H LEU 135 9.284 2.861 14.316 1020 HA LEU 135 HA LEU 135 11.427 0.920 14.521 1021 1HB LEU 135 2HB LEU 135 10.659 3.100 12.597 1022 2HB LEU 135 3HB LEU 135 12.301 2.508 12.539 1023 HG LEU 135 HG LEU 135 10.724 1.429 10.933 1024 1HD1 LEU 135 1HD1 LEU 135 12.897 0.450 11.606 1025 2HD1 LEU 135 2HD1 LEU 135 12.069 -0.508 12.852 1026 3HD1 LEU 135 3HD1 LEU 135 11.696 -0.758 11.134 1027 1HD2 LEU 135 1HD2 LEU 135 8.726 1.158 12.248 1028 2HD2 LEU 135 2HD2 LEU 135 9.308 -0.441 11.810 1029 3HD2 LEU 135 3HD2 LEU 135 9.555 0.137 13.445 1030 H GLY 136 H GLY 136 11.281 4.418 15.121 1031 1HA GLY 136 2HA GLY 136 12.518 5.354 16.912 1032 2HA GLY 136 3HA GLY 136 13.827 4.200 16.667 1033 H TYR 137 H TYR 137 12.097 6.287 14.281 1034 HA TYR 137 HA TYR 137 14.423 8.100 14.118 1035 1HB TYR 137 2HB TYR 137 13.140 7.095 11.568 1036 2HB TYR 137 3HB TYR 137 14.621 8.013 11.759 1037 HD1 TYR 137 HD1 TYR 137 13.136 4.736 11.495 1038 HD2 TYR 137 HD2 TYR 137 16.597 6.786 13.024 1039 HE1 TYR 137 HE1 TYR 137 14.392 2.588 11.547 1040 HE2 TYR 137 HE2 TYR 137 17.785 4.632 13.223 1041 HH TYR 137 HH TYR 137 17.779 2.398 12.547 1042 H LYS 138 H LYS 138 13.477 9.980 12.366 1043 HA LYS 138 HA LYS 138 10.610 10.336 13.099 1044 1HB LYS 138 2HB LYS 138 10.835 12.683 13.272 1045 2HB LYS 138 3HB LYS 138 11.679 11.835 14.558 1046 1HG LYS 138 2HG LYS 138 13.112 12.822 12.081 1047 2HG LYS 138 3HG LYS 138 12.753 13.946 13.363 1048 1HD LYS 138 2HD LYS 138 14.316 11.374 13.852 1049 2HD LYS 138 3HD LYS 138 15.065 12.896 13.419 1050 1HE LYS 138 2HE LYS 138 14.233 14.017 15.389 1051 2HE LYS 138 3HE LYS 138 13.302 12.593 15.882 1052 1HZ LYS 138 1HZ LYS 138 15.377 12.758 17.054 1053 2HZ LYS 138 2HZ LYS 138 15.340 11.392 16.139 1054 3HZ LYS 138 3HZ LYS 138 16.233 12.688 15.649 1055 H LEU 139 H LEU 139 9.304 10.786 11.514 1056 HA LEU 139 HA LEU 139 10.370 11.263 8.791 1057 1HB LEU 139 2HB LEU 139 7.650 10.517 9.856 1058 2HB LEU 139 3HB LEU 139 7.855 11.199 8.248 1059 HG LEU 139 HG LEU 139 9.421 8.775 9.105 1060 1HD1 LEU 139 1HD1 LEU 139 6.767 8.884 7.608 1061 2HD1 LEU 139 2HD1 LEU 139 7.702 7.411 7.966 1062 3HD1 LEU 139 3HD1 LEU 139 6.942 8.330 9.282 1063 1HD2 LEU 139 1HD2 LEU 139 8.634 9.686 6.335 1064 2HD2 LEU 139 2HD2 LEU 139 10.222 9.972 7.074 1065 3HD2 LEU 139 3HD2 LEU 139 9.669 8.316 6.772 1066 H LYS 140 H LYS 140 9.761 13.062 7.702 1067 HA LYS 140 HA LYS 140 8.228 15.246 8.966 1068 1HB LYS 140 2HB LYS 140 10.927 15.385 7.543 1069 2HB LYS 140 3HB LYS 140 9.794 16.740 7.505 1070 1HG LYS 140 2HG LYS 140 9.766 16.724 10.029 1071 2HG LYS 140 3HG LYS 140 11.088 15.531 9.973 1072 1HD LYS 140 2HD LYS 140 12.493 17.049 8.712 1073 2HD LYS 140 3HD LYS 140 11.181 18.222 8.509 1074 1HE LYS 140 2HE LYS 140 11.154 18.811 10.830 1075 2HE LYS 140 3HE LYS 140 12.158 17.420 11.274 1076 1HZ LYS 140 1HZ LYS 140 13.445 19.432 11.219 1077 2HZ LYS 140 2HZ LYS 140 13.968 18.324 10.134 1078 3HZ LYS 140 3HZ LYS 140 13.123 19.639 9.604 1079 H LEU 141 H LEU 141 7.464 16.660 7.159 1080 HA LEU 141 HA LEU 141 6.605 14.997 4.844 1081 1HB LEU 141 2HB LEU 141 5.464 17.568 6.008 1082 2HB LEU 141 3HB LEU 141 4.808 16.565 4.708 1083 HG LEU 141 HG LEU 141 5.094 14.653 6.631 1084 1HD1 LEU 141 1HD1 LEU 141 4.285 15.487 8.793 1085 2HD1 LEU 141 2HD1 LEU 141 5.853 16.202 8.432 1086 3HD1 LEU 141 3HD1 LEU 141 4.379 17.159 8.213 1087 1HD2 LEU 141 1HD2 LEU 141 3.065 14.999 5.406 1088 2HD2 LEU 141 2HD2 LEU 141 2.661 15.016 7.122 1089 3HD2 LEU 141 3HD2 LEU 141 2.779 16.544 6.255 1090 H LYS 142 H LYS 142 6.811 15.787 2.705 1091 HA LYS 142 HA LYS 142 8.315 18.359 2.301 1092 1HB LYS 142 2HB LYS 142 8.168 15.819 0.842 1093 2HB LYS 142 3HB LYS 142 7.885 17.209 -0.188 1094 1HG LYS 142 2HG LYS 142 10.206 16.735 -0.232 1095 2HG LYS 142 3HG LYS 142 9.942 18.306 0.521 1096 1HD LYS 142 2HD LYS 142 9.976 16.149 2.533 1097 2HD LYS 142 3HD LYS 142 11.357 16.036 1.465 1098 1HE LYS 142 2HE LYS 142 12.267 17.382 3.115 1099 2HE LYS 142 3HE LYS 142 11.786 18.579 1.944 1100 1HZ LYS 142 1HZ LYS 142 9.951 17.855 4.155 1101 2HZ LYS 142 2HZ LYS 142 11.264 18.776 4.449 1102 3HZ LYS 142 3HZ LYS 142 10.108 19.280 3.378 1103 H GLY 143 H GLY 143 6.744 19.845 2.683 1104 1HA GLY 143 2HA GLY 143 5.278 21.370 1.682 1105 2HA GLY 143 3HA GLY 143 4.960 20.222 0.376 1106 H GLU 144 H GLU 144 4.007 18.036 1.610 1107 HA GLU 144 HA GLU 144 1.434 18.112 1.759 1108 1HB GLU 144 2HB GLU 144 2.699 16.677 4.047 1109 2HB GLU 144 3HB GLU 144 1.311 16.199 3.083 1110 1HG GLU 144 2HG GLU 144 4.241 16.161 2.165 1111 2HG GLU 144 3HG GLU 144 3.282 14.794 2.684 1112 H GLN 145 H GLN 145 3.058 18.598 4.812 1113 HA GLN 145 HA GLN 145 0.878 20.447 5.768 1114 1HB GLN 145 2HB GLN 145 2.800 18.699 7.350 1115 2HB GLN 145 3HB GLN 145 1.722 19.912 8.053 1116 1HG GLN 145 2HG GLN 145 -0.233 18.771 7.032 1117 2HG GLN 145 3HG GLN 145 0.820 17.511 6.403 1118 1HE2 GLN 145 1HE2 GLN 145 -1.082 18.491 9.089 1119 2HE2 GLN 145 2HE2 GLN 145 -0.483 17.310 10.241 1120 H ASP 146 H ASP 146 4.005 20.445 4.554 1121 HA ASP 146 HA ASP 146 5.155 22.376 6.385 1122 1HB ASP 146 2HB ASP 146 6.359 20.467 5.012 1123 2HB ASP 146 3HB ASP 146 6.293 21.643 3.679 1124 H SER 147 H SER 147 3.288 22.415 3.609 1125 HA SER 147 HA SER 147 2.938 25.330 3.786 1126 1HB SER 147 2HB SER 147 3.961 24.001 1.243 1127 2HB SER 147 3HB SER 147 3.255 25.624 1.287 1128 HG SER 147 HG SER 147 5.242 25.179 3.165 1129 H ILE 148 H ILE 148 1.325 23.033 4.414 1130 HA ILE 148 HA ILE 148 -0.806 22.259 4.172 1131 HB ILE 148 HB ILE 148 -1.292 25.110 3.272 1132 1HG1 ILE 148 2HG1 ILE 148 -1.306 24.214 6.171 1133 2HG1 ILE 148 3HG1 ILE 148 0.149 24.877 5.424 1134 1HG2 ILE 148 1HG2 ILE 148 -3.326 23.617 3.175 1135 2HG2 ILE 148 2HG2 ILE 148 -3.042 23.152 4.855 1136 3HG2 ILE 148 3HG2 ILE 148 -3.492 24.815 4.440 1137 1HD1 ILE 148 1HD1 ILE 148 -1.012 26.648 6.559 1138 2HD1 ILE 148 2HD1 ILE 148 -1.022 26.940 4.811 1139 3HD1 ILE 148 3HD1 ILE 148 -2.490 26.367 5.631 1140 H GLU 149 H GLU 149 -0.002 20.911 2.288 1141 HA GLU 149 HA GLU 149 -1.151 21.691 -0.328 1142 1HB GLU 149 2HB GLU 149 0.842 19.818 0.559 1143 2HB GLU 149 3HB GLU 149 -0.448 18.893 -0.220 1144 1HG GLU 149 2HG GLU 149 0.963 21.319 -1.435 1145 2HG GLU 149 3HG GLU 149 1.435 19.637 -1.704 1146 H GLY 150 H GLY 150 -2.861 20.269 -1.241 1147 1HA GLY 150 2HA GLY 150 -4.411 18.413 -0.181 1148 2HA GLY 150 3HA GLY 150 -4.941 19.731 0.866 1149 H ARG 151 H ARG 151 -5.817 21.822 -0.362 1150 HA ARG 151 HA ARG 151 -7.590 21.014 -2.540 1151 1HB ARG 151 2HB ARG 151 -8.151 19.998 -0.181 1152 2HB ARG 151 3HB ARG 151 -8.529 21.636 0.306 1153 1HG ARG 151 2HG ARG 151 -9.905 20.436 -2.128 1154 2HG ARG 151 3HG ARG 151 -10.311 19.811 -0.528 1155 1HD ARG 151 2HD ARG 151 -11.905 21.523 -0.972 1156 2HD ARG 151 3HD ARG 151 -10.751 22.153 0.249 1157 HE ARG 151 HE ARG 151 -9.642 22.833 -2.167 1158 1HH1 ARG 151 2HH2 ARG 151 -12.728 23.740 -0.737 1159 2HH1 ARG 151 1HH2 ARG 151 -12.667 25.363 -1.369 1160 1HH2 ARG 151 2HH1 ARG 151 -9.377 24.747 -2.710 1161 2HH2 ARG 151 1HH1 ARG 151 -10.624 26.006 -2.657 Start of MODEL 14 1 1H MET 1 H1 MET 1 7.048 -12.104 1.623 2 2H MET 1 H2 MET 1 7.417 -10.880 0.585 3 3H MET 1 H3 MET 1 8.551 -11.964 1.024 4 HA MET 1 HA MET 1 9.132 -10.236 2.411 5 1HB MET 1 2HB MET 1 7.093 -8.907 1.894 6 2HB MET 1 3HB MET 1 6.171 -9.862 3.054 7 1HG MET 1 2HG MET 1 6.977 -8.744 4.818 8 2HG MET 1 3HG MET 1 8.633 -8.734 4.225 9 1HE MET 1 1HE MET 1 9.615 -7.013 2.575 10 2HE MET 1 2HE MET 1 8.318 -7.135 1.365 11 3HE MET 1 3HE MET 1 8.777 -5.548 2.003 12 H LEU 2 H LEU 2 9.567 -12.759 2.754 13 HA LEU 2 HA LEU 2 9.409 -14.713 3.730 14 1HB LEU 2 2HB LEU 2 8.697 -13.038 6.163 15 2HB LEU 2 3HB LEU 2 8.646 -14.784 6.228 16 HG LEU 2 HG LEU 2 10.745 -13.775 7.056 17 1HD1 LEU 2 1HD1 LEU 2 10.629 -16.133 6.345 18 2HD1 LEU 2 2HD1 LEU 2 11.141 -15.678 4.707 19 3HD1 LEU 2 3HD1 LEU 2 12.231 -15.428 6.077 20 1HD2 LEU 2 1HD2 LEU 2 12.455 -12.951 5.579 21 2HD2 LEU 2 2HD2 LEU 2 11.453 -13.218 4.149 22 3HD2 LEU 2 3HD2 LEU 2 10.996 -11.972 5.340 23 H SER 3 H SER 3 7.917 -16.370 4.641 24 HA SER 3 HA SER 3 5.635 -16.450 2.975 25 1HB SER 3 2HB SER 3 6.368 -18.389 5.205 26 2HB SER 3 3HB SER 3 5.607 -18.724 3.637 27 HG SER 3 HG SER 3 7.841 -19.242 3.618 28 H GLU 4 H GLU 4 4.366 -14.599 3.851 29 HA GLU 4 HA GLU 4 2.655 -15.278 6.119 30 1HB GLU 4 2HB GLU 4 4.738 -14.155 7.063 31 2HB GLU 4 3HB GLU 4 4.292 -12.704 6.151 32 1HG GLU 4 2HG GLU 4 2.107 -12.664 7.389 33 2HG GLU 4 3HG GLU 4 2.613 -14.111 8.282 34 H GLN 5 H GLN 5 0.906 -15.181 4.931 35 HA GLN 5 HA GLN 5 0.367 -13.566 2.672 36 1HB GLN 5 2HB GLN 5 -1.636 -14.729 4.675 37 2HB GLN 5 3HB GLN 5 -1.990 -14.186 3.028 38 1HG GLN 5 2HG GLN 5 -0.225 -16.528 3.841 39 2HG GLN 5 3HG GLN 5 -1.811 -16.617 3.048 40 1HE2 GLN 5 1HE2 GLN 5 1.220 -17.285 2.357 41 2HE2 GLN 5 2HE2 GLN 5 1.529 -16.489 0.851 42 H LYS 6 H LYS 6 0.182 -11.451 2.543 43 HA LYS 6 HA LYS 6 -0.258 -9.785 4.968 44 1HB LYS 6 2HB LYS 6 0.337 -7.939 3.518 45 2HB LYS 6 3HB LYS 6 1.474 -9.264 3.218 46 1HG LYS 6 2HG LYS 6 -0.533 -9.838 1.366 47 2HG LYS 6 3HG LYS 6 -0.667 -8.095 1.431 48 1HD LYS 6 2HD LYS 6 1.861 -9.736 1.018 49 2HD LYS 6 3HD LYS 6 0.870 -9.154 -0.285 50 1HE LYS 6 2HE LYS 6 1.272 -6.834 1.253 51 2HE LYS 6 3HE LYS 6 2.830 -7.663 1.386 52 1HZ LYS 6 1HZ LYS 6 1.418 -6.856 -1.063 53 2HZ LYS 6 2HZ LYS 6 2.791 -6.174 -0.462 54 3HZ LYS 6 3HZ LYS 6 2.836 -7.714 -1.059 55 H GLU 7 H GLU 7 -2.011 -8.171 4.958 56 HA GLU 7 HA GLU 7 -4.362 -8.730 3.238 57 1HB GLU 7 2HB GLU 7 -4.342 -7.420 5.988 58 2HB GLU 7 3HB GLU 7 -5.656 -8.215 5.121 59 1HG GLU 7 2HG GLU 7 -5.113 -9.841 6.644 60 2HG GLU 7 3HG GLU 7 -4.025 -10.346 5.354 61 H ILE 8 H ILE 8 -3.872 -7.198 1.570 62 HA ILE 8 HA ILE 8 -3.095 -4.466 2.456 63 HB ILE 8 HB ILE 8 -2.243 -5.983 0.401 64 1HG1 ILE 8 2HG1 ILE 8 -1.544 -3.660 -0.619 65 2HG1 ILE 8 3HG1 ILE 8 -2.185 -3.051 0.928 66 1HG2 ILE 8 1HG2 ILE 8 -4.328 -5.896 -0.828 67 2HG2 ILE 8 2HG2 ILE 8 -4.236 -4.115 -0.913 68 3HG2 ILE 8 3HG2 ILE 8 -3.015 -5.113 -1.723 69 1HD1 ILE 8 1HD1 ILE 8 -0.080 -5.209 0.534 70 2HD1 ILE 8 2HD1 ILE 8 0.221 -3.548 1.076 71 3HD1 ILE 8 3HD1 ILE 8 -0.688 -4.669 2.118 72 H ALA 9 H ALA 9 -4.761 -3.167 3.114 73 HA ALA 9 HA ALA 9 -7.452 -3.512 1.868 74 1HB ALA 9 1HB ALA 9 -7.371 -4.017 4.258 75 2HB ALA 9 2HB ALA 9 -6.644 -2.428 4.587 76 3HB ALA 9 3HB ALA 9 -8.297 -2.534 3.946 77 H MET 10 H MET 10 -7.749 -1.980 0.279 78 HA MET 10 HA MET 10 -7.066 0.855 0.968 79 1HB MET 10 2HB MET 10 -6.634 -0.653 -1.642 80 2HB MET 10 3HB MET 10 -6.717 1.100 -1.547 81 1HG MET 10 2HG MET 10 -4.527 0.586 -1.604 82 2HG MET 10 3HG MET 10 -4.724 1.057 0.082 83 1HE MET 10 1HE MET 10 -1.703 -1.368 -0.468 84 2HE MET 10 2HE MET 10 -2.483 -0.637 -1.882 85 3HE MET 10 3HE MET 10 -2.280 0.311 -0.395 86 H GLN 11 H GLN 11 -8.328 2.397 -0.191 87 HA GLN 11 HA GLN 11 -11.078 1.568 -0.816 88 1HB GLN 11 2HB GLN 11 -10.352 3.679 0.559 89 2HB GLN 11 3HB GLN 11 -9.991 4.391 -1.006 90 1HG GLN 11 2HG GLN 11 -12.489 3.309 -1.486 91 2HG GLN 11 3HG GLN 11 -12.622 3.711 0.233 92 1HE2 GLN 11 1HE2 GLN 11 -12.489 6.045 0.805 93 2HE2 GLN 11 2HE2 GLN 11 -12.714 7.236 -0.463 94 H VAL 12 H VAL 12 -11.656 1.173 -2.921 95 HA VAL 12 HA VAL 12 -10.222 2.424 -5.139 96 HB VAL 12 HB VAL 12 -9.633 -0.059 -4.726 97 1HG1 VAL 12 1HG1 VAL 12 -11.285 -1.748 -5.368 98 2HG1 VAL 12 2HG1 VAL 12 -11.935 -0.795 -4.022 99 3HG1 VAL 12 3HG1 VAL 12 -12.503 -0.511 -5.683 100 1HG2 VAL 12 1HG2 VAL 12 -9.884 -0.717 -7.027 101 2HG2 VAL 12 2HG2 VAL 12 -10.962 0.676 -7.319 102 3HG2 VAL 12 3HG2 VAL 12 -9.261 0.924 -6.846 103 H SER 13 H SER 13 -11.650 2.806 -6.951 104 HA SER 13 HA SER 13 -14.549 2.957 -6.183 105 1HB SER 13 2HB SER 13 -13.242 4.486 -8.397 106 2HB SER 13 3HB SER 13 -14.679 4.912 -7.483 107 HG SER 13 HG SER 13 -13.190 5.107 -5.611 108 H GLY 14 H GLY 14 -16.008 2.968 -8.139 109 1HA GLY 14 2HA GLY 14 -16.499 2.297 -10.371 110 2HA GLY 14 3HA GLY 14 -15.176 1.129 -10.346 111 H MET 15 H MET 15 -16.789 1.097 -7.400 112 HA MET 15 HA MET 15 -17.964 -1.551 -7.642 113 1HB MET 15 2HB MET 15 -18.166 0.649 -5.574 114 2HB MET 15 3HB MET 15 -18.895 -0.948 -5.405 115 1HG MET 15 2HG MET 15 -16.958 -1.920 -4.839 116 2HG MET 15 3HG MET 15 -16.071 -1.198 -6.173 117 1HE MET 15 1HE MET 15 -14.182 -1.534 -4.295 118 2HE MET 15 2HE MET 15 -14.010 -0.460 -2.880 119 3HE MET 15 3HE MET 15 -15.252 -1.733 -2.881 120 H THR 16 H THR 16 -19.053 -1.101 -9.612 121 HA THR 16 HA THR 16 -21.505 0.425 -9.601 122 HB THR 16 HB THR 16 -20.585 -1.782 -11.500 123 HG1 THR 16 1HG THR 16 -19.009 -0.096 -11.234 124 1HG2 THR 16 1HG2 THR 16 -22.447 0.612 -11.868 125 2HG2 THR 16 2HG2 THR 16 -21.916 -0.487 -13.155 126 3HG2 THR 16 3HG2 THR 16 -22.940 -1.095 -11.841 127 H CYS 17 H CYS 17 -20.558 -2.907 -8.810 128 HA CYS 17 HA CYS 17 -22.963 -3.453 -7.452 129 1HB CYS 17 2HB CYS 17 -23.646 -3.603 -10.072 130 2HB CYS 17 3HB CYS 17 -22.866 -5.182 -9.934 131 HG CYS 17 HG CYS 17 -25.252 -3.817 -8.116 132 H ALA 18 H ALA 18 -23.128 -5.822 -6.859 133 HA ALA 18 HA ALA 18 -20.806 -7.017 -5.888 134 1HB ALA 18 1HB ALA 18 -22.170 -9.050 -5.697 135 2HB ALA 18 2HB ALA 18 -23.082 -7.619 -5.181 136 3HB ALA 18 3HB ALA 18 -23.397 -8.349 -6.774 137 H ALA 19 H ALA 19 -22.294 -7.352 -9.122 138 HA ALA 19 HA ALA 19 -20.724 -9.488 -10.096 139 1HB ALA 19 1HB ALA 19 -21.754 -7.036 -11.590 140 2HB ALA 19 2HB ALA 19 -21.207 -8.557 -12.328 141 3HB ALA 19 3HB ALA 19 -22.655 -8.542 -11.302 142 H CYS 20 H CYS 20 -19.851 -6.004 -9.728 143 HA CYS 20 HA CYS 20 -17.515 -6.268 -11.476 144 1HB CYS 20 2HB CYS 20 -18.955 -4.087 -10.076 145 2HB CYS 20 3HB CYS 20 -17.201 -4.021 -9.892 146 HG CYS 20 HG CYS 20 -18.845 -4.377 -12.704 147 H ALA 21 H ALA 21 -18.124 -5.790 -8.001 148 HA ALA 21 HA ALA 21 -15.622 -6.293 -6.839 149 1HB ALA 21 1HB ALA 21 -17.038 -7.427 -5.013 150 2HB ALA 21 2HB ALA 21 -17.561 -5.787 -5.475 151 3HB ALA 21 3HB ALA 21 -18.435 -7.213 -6.053 152 H ALA 22 H ALA 22 -18.066 -8.856 -7.545 153 HA ALA 22 HA ALA 22 -16.464 -11.072 -7.064 154 1HB ALA 22 1HB ALA 22 -18.890 -11.167 -7.372 155 2HB ALA 22 2HB ALA 22 -18.702 -10.810 -9.105 156 3HB ALA 22 3HB ALA 22 -18.063 -12.325 -8.432 157 H ARG 23 H ARG 23 -16.717 -9.190 -10.117 158 HA ARG 23 HA ARG 23 -15.105 -10.989 -11.615 159 1HB ARG 23 2HB ARG 23 -16.226 -8.244 -11.953 160 2HB ARG 23 3HB ARG 23 -14.672 -8.454 -12.734 161 1HG ARG 23 2HG ARG 23 -17.099 -10.255 -13.140 162 2HG ARG 23 3HG ARG 23 -16.513 -8.980 -14.221 163 1HD ARG 23 2HD ARG 23 -14.209 -10.428 -13.834 164 2HD ARG 23 3HD ARG 23 -15.398 -11.731 -13.719 165 HE ARG 23 HE ARG 23 -16.133 -10.236 -15.974 166 1HH1 ARG 23 2HH2 ARG 23 -13.333 -12.092 -14.950 167 2HH1 ARG 23 1HH2 ARG 23 -12.785 -12.483 -16.554 168 1HH2 ARG 23 2HH1 ARG 23 -15.432 -10.688 -18.131 169 2HH2 ARG 23 1HH1 ARG 23 -14.028 -11.659 -18.415 170 H ILE 24 H ILE 24 -14.284 -8.189 -9.507 171 HA ILE 24 HA ILE 24 -11.467 -8.286 -10.182 172 HB ILE 24 HB ILE 24 -13.010 -7.133 -7.839 173 1HG1 ILE 24 2HG1 ILE 24 -11.566 -5.759 -10.156 174 2HG1 ILE 24 3HG1 ILE 24 -13.267 -6.223 -10.277 175 1HG2 ILE 24 1HG2 ILE 24 -10.782 -7.640 -7.086 176 2HG2 ILE 24 2HG2 ILE 24 -10.106 -6.704 -8.450 177 3HG2 ILE 24 3HG2 ILE 24 -11.088 -5.910 -7.193 178 1HD1 ILE 24 1HD1 ILE 24 -12.143 -4.263 -8.266 179 2HD1 ILE 24 2HD1 ILE 24 -13.101 -3.960 -9.730 180 3HD1 ILE 24 3HD1 ILE 24 -13.838 -4.822 -8.357 181 H GLU 25 H GLU 25 -13.472 -9.612 -7.473 182 HA GLU 25 HA GLU 25 -11.360 -10.780 -6.079 183 1HB GLU 25 2HB GLU 25 -14.274 -11.648 -6.330 184 2HB GLU 25 3HB GLU 25 -13.164 -12.243 -5.085 185 1HG GLU 25 2HG GLU 25 -12.937 -10.088 -4.087 186 2HG GLU 25 3HG GLU 25 -13.688 -9.258 -5.438 187 H LYS 26 H LYS 26 -13.423 -12.297 -8.653 188 HA LYS 26 HA LYS 26 -11.964 -14.730 -8.631 189 1HB LYS 26 2HB LYS 26 -14.252 -14.613 -9.306 190 2HB LYS 26 3HB LYS 26 -13.859 -13.566 -10.684 191 1HG LYS 26 2HG LYS 26 -12.819 -15.238 -11.855 192 2HG LYS 26 3HG LYS 26 -12.283 -16.098 -10.412 193 1HD LYS 26 2HD LYS 26 -13.825 -17.529 -11.459 194 2HD LYS 26 3HD LYS 26 -14.551 -16.922 -9.965 195 1HE LYS 26 2HE LYS 26 -15.895 -15.284 -11.291 196 2HE LYS 26 3HE LYS 26 -15.134 -15.870 -12.782 197 1HZ LYS 26 1HZ LYS 26 -16.833 -17.474 -10.983 198 2HZ LYS 26 2HZ LYS 26 -17.275 -16.874 -12.446 199 3HZ LYS 26 3HZ LYS 26 -16.113 -18.031 -12.353 200 H GLY 27 H GLY 27 -11.752 -11.788 -10.694 201 1HA GLY 27 2HA GLY 27 -9.860 -12.706 -12.571 202 2HA GLY 27 3HA GLY 27 -10.087 -11.027 -12.044 203 H LEU 28 H LEU 28 -9.418 -11.228 -9.339 204 HA LEU 28 HA LEU 28 -6.528 -11.321 -9.487 205 1HB LEU 28 2HB LEU 28 -8.566 -10.589 -7.355 206 2HB LEU 28 3HB LEU 28 -6.892 -10.848 -6.909 207 HG LEU 28 HG LEU 28 -7.477 -8.423 -7.320 208 1HD1 LEU 28 1HD1 LEU 28 -5.141 -9.381 -7.442 209 2HD1 LEU 28 2HD1 LEU 28 -5.321 -9.464 -9.204 210 3HD1 LEU 28 3HD1 LEU 28 -5.415 -7.901 -8.378 211 1HD2 LEU 28 1HD2 LEU 28 -7.569 -7.556 -9.572 212 2HD2 LEU 28 2HD2 LEU 28 -7.674 -9.207 -10.221 213 3HD2 LEU 28 3HD2 LEU 28 -8.961 -8.555 -9.205 214 H LYS 29 H LYS 29 -9.049 -13.439 -7.999 215 HA LYS 29 HA LYS 29 -7.261 -15.238 -6.798 216 1HB LYS 29 2HB LYS 29 -10.080 -15.255 -7.364 217 2HB LYS 29 3HB LYS 29 -9.420 -16.711 -8.069 218 1HG LYS 29 2HG LYS 29 -9.885 -17.473 -5.953 219 2HG LYS 29 3HG LYS 29 -8.199 -17.017 -5.767 220 1HD LYS 29 2HD LYS 29 -8.890 -15.788 -3.968 221 2HD LYS 29 3HD LYS 29 -9.469 -14.633 -5.164 222 1HE LYS 29 2HE LYS 29 -11.391 -14.892 -3.887 223 2HE LYS 29 3HE LYS 29 -11.684 -16.092 -5.150 224 1HZ LYS 29 1HZ LYS 29 -10.746 -16.531 -2.381 225 2HZ LYS 29 2HZ LYS 29 -12.140 -17.023 -3.024 226 3HZ LYS 29 3HZ LYS 29 -10.726 -17.736 -3.495 227 H ARG 30 H ARG 30 -7.700 -14.668 -10.194 228 HA ARG 30 HA ARG 30 -6.714 -17.138 -11.173 229 1HB ARG 30 2HB ARG 30 -7.714 -14.879 -12.292 230 2HB ARG 30 3HB ARG 30 -6.017 -14.592 -12.629 231 1HG ARG 30 2HG ARG 30 -5.849 -16.712 -13.851 232 2HG ARG 30 3HG ARG 30 -7.440 -17.228 -13.260 233 1HD ARG 30 2HD ARG 30 -8.499 -15.339 -14.483 234 2HD ARG 30 3HD ARG 30 -6.921 -14.987 -15.237 235 HE ARG 30 HE ARG 30 -7.405 -17.724 -15.622 236 1HH1 ARG 30 2HH2 ARG 30 -8.871 -14.694 -16.631 237 2HH1 ARG 30 1HH2 ARG 30 -9.662 -15.345 -18.039 238 1HH2 ARG 30 2HH1 ARG 30 -8.461 -18.649 -17.462 239 2HH2 ARG 30 1HH1 ARG 30 -9.414 -17.660 -18.515 240 H MET 31 H MET 31 -5.045 -14.610 -9.468 241 HA MET 31 HA MET 31 -2.372 -15.296 -10.475 242 1HB MET 31 2HB MET 31 -3.456 -13.534 -8.256 243 2HB MET 31 3HB MET 31 -1.737 -13.762 -8.510 244 1HG MET 31 2HG MET 31 -3.284 -12.964 -10.944 245 2HG MET 31 3HG MET 31 -3.208 -11.788 -9.647 246 1HE MET 31 1HE MET 31 -1.756 -9.911 -10.695 247 2HE MET 31 2HE MET 31 -0.458 -10.254 -11.867 248 3HE MET 31 3HE MET 31 -2.123 -10.795 -12.196 249 HA PRO 32 HA PRO 32 -1.842 -18.577 -7.489 250 1HB PRO 32 2HB PRO 32 0.882 -18.621 -7.138 251 2HB PRO 32 3HB PRO 32 0.068 -19.176 -8.628 252 1HG PRO 32 2HG PRO 32 1.349 -16.483 -8.113 253 2HG PRO 32 3HG PRO 32 1.547 -17.537 -9.537 254 1HD PRO 32 2HD PRO 32 -0.194 -15.439 -9.537 255 2HD PRO 32 3HD PRO 32 -0.599 -16.970 -10.371 256 H GLY 33 H GLY 33 -0.067 -15.474 -6.771 257 1HA GLY 33 2HA GLY 33 0.406 -16.106 -4.040 258 2HA GLY 33 3HA GLY 33 0.476 -14.504 -4.791 259 H VAL 34 H VAL 34 -2.316 -14.673 -5.778 260 HA VAL 34 HA VAL 34 -3.629 -13.446 -3.556 261 HB VAL 34 HB VAL 34 -4.670 -14.373 -6.227 262 1HG1 VAL 34 1HG1 VAL 34 -6.545 -14.385 -4.652 263 2HG1 VAL 34 2HG1 VAL 34 -6.034 -12.823 -3.978 264 3HG1 VAL 34 3HG1 VAL 34 -6.646 -12.926 -5.641 265 1HG2 VAL 34 1HG2 VAL 34 -3.034 -12.442 -6.195 266 2HG2 VAL 34 2HG2 VAL 34 -4.656 -11.932 -6.685 267 3HG2 VAL 34 3HG2 VAL 34 -4.088 -11.605 -5.042 268 H THR 35 H THR 35 -4.013 -14.464 -1.763 269 HA THR 35 HA THR 35 -4.689 -17.315 -1.767 270 HB THR 35 HB THR 35 -4.231 -15.296 0.449 271 HG1 THR 35 1HG THR 35 -2.400 -16.088 -0.828 272 1HG2 THR 35 1HG2 THR 35 -4.811 -18.276 0.615 273 2HG2 THR 35 2HG2 THR 35 -4.138 -17.293 1.935 274 3HG2 THR 35 3HG2 THR 35 -5.765 -16.950 1.325 275 H ASP 36 H ASP 36 -6.105 -14.133 -0.686 276 HA ASP 36 HA ASP 36 -8.613 -15.061 -1.728 277 1HB ASP 36 2HB ASP 36 -8.412 -15.926 0.766 278 2HB ASP 36 3HB ASP 36 -8.792 -14.250 1.184 279 H ALA 37 H ALA 37 -9.717 -13.466 -2.595 280 HA ALA 37 HA ALA 37 -8.819 -10.658 -2.094 281 1HB ALA 37 1HB ALA 37 -9.533 -10.274 -4.429 282 2HB ALA 37 2HB ALA 37 -8.256 -11.506 -4.341 283 3HB ALA 37 3HB ALA 37 -9.941 -12.000 -4.587 284 H ASN 38 H ASN 38 -10.406 -9.337 -1.189 285 HA ASN 38 HA ASN 38 -13.252 -10.067 -1.636 286 1HB ASN 38 2HB ASN 38 -11.941 -9.446 1.030 287 2HB ASN 38 3HB ASN 38 -13.685 -9.510 0.743 288 1HD2 ASN 38 1HD2 ASN 38 -10.689 -11.497 0.742 289 2HD2 ASN 38 2HD2 ASN 38 -11.521 -13.042 0.907 290 H VAL 39 H VAL 39 -14.669 -8.201 -1.537 291 HA VAL 39 HA VAL 39 -13.477 -5.594 -1.003 292 HB VAL 39 HB VAL 39 -12.679 -5.867 -3.227 293 1HG1 VAL 39 1HG1 VAL 39 -13.860 -6.460 -5.130 294 2HG1 VAL 39 2HG1 VAL 39 -14.519 -7.581 -3.928 295 3HG1 VAL 39 3HG1 VAL 39 -15.425 -6.123 -4.367 296 1HG2 VAL 39 1HG2 VAL 39 -13.614 -3.615 -2.589 297 2HG2 VAL 39 2HG2 VAL 39 -13.646 -3.945 -4.335 298 3HG2 VAL 39 3HG2 VAL 39 -15.133 -4.065 -3.381 299 H ASN 40 H ASN 40 -14.751 -4.556 0.186 300 HA ASN 40 HA ASN 40 -17.646 -5.200 0.252 301 1HB ASN 40 2HB ASN 40 -15.865 -3.404 1.955 302 2HB ASN 40 3HB ASN 40 -17.630 -3.528 2.103 303 1HD2 ASN 40 1HD2 ASN 40 -16.535 -3.983 4.366 304 2HD2 ASN 40 2HD2 ASN 40 -16.480 -5.705 4.729 305 H LEU 41 H LEU 41 -18.188 -4.353 -1.836 306 HA LEU 41 HA LEU 41 -18.023 -1.632 -2.608 307 1HB LEU 41 2HB LEU 41 -20.121 -1.994 -3.826 308 2HB LEU 41 3HB LEU 41 -18.934 -3.246 -4.153 309 HG LEU 41 HG LEU 41 -20.843 -3.918 -1.995 310 1HD1 LEU 41 1HD1 LEU 41 -21.753 -3.632 -4.892 311 2HD1 LEU 41 2HD1 LEU 41 -22.673 -4.432 -3.598 312 3HD1 LEU 41 3HD1 LEU 41 -22.353 -2.691 -3.507 313 1HD2 LEU 41 1HD2 LEU 41 -20.903 -6.069 -3.232 314 2HD2 LEU 41 2HD2 LEU 41 -19.924 -5.351 -4.526 315 3HD2 LEU 41 3HD2 LEU 41 -19.231 -5.591 -2.912 316 H ALA 42 H ALA 42 -19.633 -3.006 0.105 317 HA ALA 42 HA ALA 42 -21.693 -0.983 0.419 318 1HB ALA 42 1HB ALA 42 -20.571 -3.017 2.393 319 2HB ALA 42 2HB ALA 42 -22.053 -2.060 2.597 320 3HB ALA 42 3HB ALA 42 -21.955 -3.272 1.303 321 H THR 43 H THR 43 -18.298 -1.303 1.371 322 HA THR 43 HA THR 43 -18.466 1.319 2.801 323 HB THR 43 HB THR 43 -16.624 0.313 4.321 324 HG1 THR 43 1HG THR 43 -17.958 -2.057 3.532 325 1HG2 THR 43 1HG2 THR 43 -18.311 -0.612 5.863 326 2HG2 THR 43 2HG2 THR 43 -18.903 0.875 5.099 327 3HG2 THR 43 3HG2 THR 43 -19.493 -0.702 4.538 328 H GLU 44 H GLU 44 -17.624 0.119 0.061 329 HA GLU 44 HA GLU 44 -16.060 0.360 -1.470 330 1HB GLU 44 2HB GLU 44 -15.713 3.054 -0.098 331 2HB GLU 44 3HB GLU 44 -15.208 2.665 -1.748 332 1HG GLU 44 2HG GLU 44 -17.550 2.197 -2.385 333 2HG GLU 44 3HG GLU 44 -18.094 2.571 -0.741 334 H THR 45 H THR 45 -14.937 -1.372 0.348 335 HA THR 45 HA THR 45 -12.104 -0.431 0.458 336 HB THR 45 HB THR 45 -13.932 -1.512 2.601 337 HG1 THR 45 1HG THR 45 -11.712 0.275 2.618 338 1HG2 THR 45 1HG2 THR 45 -12.268 -3.237 2.620 339 2HG2 THR 45 2HG2 THR 45 -10.990 -2.042 2.297 340 3HG2 THR 45 3HG2 THR 45 -11.840 -2.070 3.874 341 H VAL 46 H VAL 46 -10.946 -1.654 -0.878 342 HA VAL 46 HA VAL 46 -11.759 -4.450 -1.441 343 HB VAL 46 HB VAL 46 -11.432 -3.344 -3.509 344 1HG1 VAL 46 1HG1 VAL 46 -9.266 -2.238 -4.090 345 2HG1 VAL 46 2HG1 VAL 46 -10.076 -1.357 -2.779 346 3HG1 VAL 46 3HG1 VAL 46 -8.697 -2.412 -2.431 347 1HG2 VAL 46 1HG2 VAL 46 -10.406 -5.619 -3.169 348 2HG2 VAL 46 2HG2 VAL 46 -9.683 -4.648 -4.467 349 3HG2 VAL 46 3HG2 VAL 46 -8.855 -4.798 -2.908 350 H ASN 47 H ASN 47 -10.678 -6.022 -0.439 351 HA ASN 47 HA ASN 47 -8.200 -5.344 0.988 352 1HB ASN 47 2HB ASN 47 -8.960 -6.627 2.921 353 2HB ASN 47 3HB ASN 47 -9.879 -5.143 2.662 354 1HD2 ASN 47 1HD2 ASN 47 -12.050 -5.470 1.401 355 2HD2 ASN 47 2HD2 ASN 47 -12.940 -6.903 1.893 356 H VAL 48 H VAL 48 -6.660 -6.651 0.230 357 HA VAL 48 HA VAL 48 -7.511 -9.237 -1.033 358 HB VAL 48 HB VAL 48 -5.224 -7.556 -2.079 359 1HG1 VAL 48 1HG1 VAL 48 -5.310 -9.993 -2.663 360 2HG1 VAL 48 2HG1 VAL 48 -6.932 -9.746 -3.331 361 3HG1 VAL 48 3HG1 VAL 48 -5.539 -8.947 -4.072 362 1HG2 VAL 48 1HG2 VAL 48 -7.148 -6.135 -2.358 363 2HG2 VAL 48 2HG2 VAL 48 -6.793 -6.876 -3.922 364 3HG2 VAL 48 3HG2 VAL 48 -8.144 -7.492 -2.946 365 H ILE 49 H ILE 49 -6.558 -10.980 -0.231 366 HA ILE 49 HA ILE 49 -4.254 -10.602 1.516 367 HB ILE 49 HB ILE 49 -6.399 -12.720 1.541 368 1HG1 ILE 49 2HG1 ILE 49 -5.779 -10.929 3.880 369 2HG1 ILE 49 3HG1 ILE 49 -6.610 -10.171 2.531 370 1HG2 ILE 49 1HG2 ILE 49 -3.944 -12.427 3.333 371 2HG2 ILE 49 2HG2 ILE 49 -5.287 -13.550 3.604 372 3HG2 ILE 49 3HG2 ILE 49 -4.242 -13.741 2.192 373 1HD1 ILE 49 1HD1 ILE 49 -8.400 -11.817 2.592 374 2HD1 ILE 49 2HD1 ILE 49 -7.609 -12.651 3.954 375 3HD1 ILE 49 3HD1 ILE 49 -8.216 -10.991 4.152 376 H TYR 50 H TYR 50 -2.318 -11.368 0.734 377 HA TYR 50 HA TYR 50 -2.274 -13.629 -1.067 378 1HB TYR 50 2HB TYR 50 -1.412 -12.374 -3.048 379 2HB TYR 50 3HB TYR 50 -3.009 -11.771 -2.579 380 HD1 TYR 50 HD1 TYR 50 0.467 -10.804 -3.067 381 HD2 TYR 50 HD2 TYR 50 -3.353 -9.720 -1.400 382 HE1 TYR 50 HE1 TYR 50 1.156 -8.422 -3.003 383 HE2 TYR 50 HE2 TYR 50 -2.637 -7.409 -1.203 384 HH TYR 50 HH TYR 50 -0.855 -5.975 -1.323 385 H ASP 51 H ASP 51 -0.082 -14.105 -1.916 386 HA ASP 51 HA ASP 51 1.717 -13.863 0.276 387 1HB ASP 51 2HB ASP 51 1.428 -15.892 -1.216 388 2HB ASP 51 3HB ASP 51 2.456 -15.071 -2.394 389 HA PRO 52 HA PRO 52 3.915 -10.360 -1.624 390 1HB PRO 52 2HB PRO 52 5.563 -9.689 0.487 391 2HB PRO 52 3HB PRO 52 3.862 -9.339 0.429 392 1HG PRO 52 2HG PRO 52 5.188 -11.624 1.908 393 2HG PRO 52 3HG PRO 52 3.852 -10.595 2.453 394 1HD PRO 52 2HD PRO 52 3.674 -13.150 1.317 395 2HD PRO 52 3HD PRO 52 2.337 -11.977 1.400 396 H ALA 53 H ALA 53 4.623 -12.948 -2.435 397 HA ALA 53 HA ALA 53 7.284 -12.351 -3.374 398 1HB ALA 53 1HB ALA 53 7.897 -13.338 -1.125 399 2HB ALA 53 2HB ALA 53 6.988 -14.801 -1.568 400 3HB ALA 53 3HB ALA 53 8.445 -14.347 -2.468 401 H GLU 54 H GLU 54 4.615 -13.013 -4.348 402 HA GLU 54 HA GLU 54 5.427 -15.004 -6.378 403 1HB GLU 54 2HB GLU 54 2.787 -15.094 -4.839 404 2HB GLU 54 3HB GLU 54 3.154 -16.004 -6.311 405 1HG GLU 54 2HG GLU 54 5.123 -17.034 -5.065 406 2HG GLU 54 3HG GLU 54 4.448 -16.326 -3.584 407 H THR 55 H THR 55 3.048 -12.489 -5.314 408 HA THR 55 HA THR 55 2.319 -12.049 -8.176 409 HB THR 55 HB THR 55 0.850 -11.858 -5.542 410 HG1 THR 55 1HG THR 55 0.428 -13.197 -8.002 411 1HG2 THR 55 1HG2 THR 55 0.017 -10.703 -8.234 412 2HG2 THR 55 2HG2 THR 55 -1.075 -11.054 -6.868 413 3HG2 THR 55 3HG2 THR 55 0.216 -9.855 -6.677 414 H GLY 56 H GLY 56 1.963 -9.883 -5.329 415 1HA GLY 56 2HA GLY 56 3.776 -8.309 -4.799 416 2HA GLY 56 3HA GLY 56 4.045 -8.068 -6.528 417 H THR 57 H THR 57 2.813 -6.564 -4.065 418 HA THR 57 HA THR 57 0.169 -5.921 -4.355 419 HB THR 57 HB THR 57 1.669 -5.228 -2.534 420 HG1 THR 57 1HG THR 57 -0.481 -4.295 -3.019 421 1HG2 THR 57 1HG2 THR 57 3.499 -4.304 -3.952 422 2HG2 THR 57 2HG2 THR 57 2.380 -2.966 -4.332 423 3HG2 THR 57 3HG2 THR 57 2.902 -3.262 -2.652 424 H ALA 58 H ALA 58 2.828 -4.501 -6.240 425 HA ALA 58 HA ALA 58 1.302 -2.562 -7.610 426 1HB ALA 58 1HB ALA 58 3.688 -4.007 -8.813 427 2HB ALA 58 2HB ALA 58 3.156 -2.330 -9.055 428 3HB ALA 58 3HB ALA 58 3.859 -2.817 -7.502 429 H ALA 59 H ALA 59 1.779 -6.059 -8.242 430 HA ALA 59 HA ALA 59 0.552 -5.999 -10.866 431 1HB ALA 59 1HB ALA 59 1.003 -8.344 -9.007 432 2HB ALA 59 2HB ALA 59 0.619 -8.378 -10.741 433 3HB ALA 59 3HB ALA 59 2.176 -7.717 -10.197 434 H ILE 60 H ILE 60 -0.476 -6.506 -7.503 435 HA ILE 60 HA ILE 60 -3.125 -7.458 -7.988 436 HB ILE 60 HB ILE 60 -2.441 -5.498 -5.767 437 1HG1 ILE 60 2HG1 ILE 60 -0.764 -7.427 -5.766 438 2HG1 ILE 60 3HG1 ILE 60 -1.706 -7.093 -4.320 439 1HG2 ILE 60 1HG2 ILE 60 -4.468 -7.721 -5.939 440 2HG2 ILE 60 2HG2 ILE 60 -4.123 -6.732 -4.508 441 3HG2 ILE 60 3HG2 ILE 60 -4.795 -5.974 -5.968 442 1HD1 ILE 60 1HD1 ILE 60 -2.514 -9.240 -6.270 443 2HD1 ILE 60 2HD1 ILE 60 -1.363 -9.484 -4.934 444 3HD1 ILE 60 3HD1 ILE 60 -3.023 -8.997 -4.566 445 H GLN 61 H GLN 61 -1.865 -4.124 -7.449 446 HA GLN 61 HA GLN 61 -4.362 -2.917 -8.108 447 1HB GLN 61 2HB GLN 61 -3.476 -0.878 -7.805 448 2HB GLN 61 3HB GLN 61 -2.415 -1.860 -6.787 449 1HG GLN 61 2HG GLN 61 -0.662 -1.738 -8.503 450 2HG GLN 61 3HG GLN 61 -1.738 -0.880 -9.615 451 1HE2 GLN 61 1HE2 GLN 61 -2.122 1.328 -9.320 452 2HE2 GLN 61 2HE2 GLN 61 -1.240 2.250 -8.099 453 H GLU 62 H GLU 62 -1.505 -3.762 -10.129 454 HA GLU 62 HA GLU 62 -2.329 -2.477 -12.478 455 1HB GLU 62 2HB GLU 62 -0.151 -3.613 -12.214 456 2HB GLU 62 3HB GLU 62 -0.980 -5.186 -12.179 457 1HG GLU 62 2HG GLU 62 -1.805 -4.849 -14.440 458 2HG GLU 62 3HG GLU 62 -1.029 -3.251 -14.515 459 H LYS 63 H LYS 63 -3.534 -5.627 -11.031 460 HA LYS 63 HA LYS 63 -4.962 -6.199 -13.435 461 1HB LYS 63 2HB LYS 63 -4.131 -7.796 -11.526 462 2HB LYS 63 3HB LYS 63 -5.647 -7.363 -10.752 463 1HG LYS 63 2HG LYS 63 -6.690 -8.872 -12.065 464 2HG LYS 63 3HG LYS 63 -6.334 -7.892 -13.463 465 1HD LYS 63 2HD LYS 63 -4.581 -10.105 -12.299 466 2HD LYS 63 3HD LYS 63 -5.632 -10.244 -13.717 467 1HE LYS 63 2HE LYS 63 -4.271 -8.355 -14.795 468 2HE LYS 63 3HE LYS 63 -3.127 -8.498 -13.452 469 1HZ LYS 63 1HZ LYS 63 -2.812 -10.826 -14.122 470 2HZ LYS 63 2HZ LYS 63 -3.791 -10.588 -15.419 471 3HZ LYS 63 3HZ LYS 63 -2.376 -9.761 -15.289 472 H ILE 64 H ILE 64 -5.763 -4.648 -10.295 473 HA ILE 64 HA ILE 64 -8.532 -4.165 -10.697 474 HB ILE 64 HB ILE 64 -6.382 -2.526 -9.286 475 1HG1 ILE 64 2HG1 ILE 64 -8.615 -4.356 -8.238 476 2HG1 ILE 64 3HG1 ILE 64 -6.946 -4.897 -8.446 477 1HG2 ILE 64 1HG2 ILE 64 -9.335 -2.164 -8.949 478 2HG2 ILE 64 2HG2 ILE 64 -8.008 -1.291 -8.147 479 3HG2 ILE 64 3HG2 ILE 64 -8.258 -1.054 -9.860 480 1HD1 ILE 64 1HD1 ILE 64 -6.220 -3.164 -6.795 481 2HD1 ILE 64 2HD1 ILE 64 -7.935 -2.791 -6.492 482 3HD1 ILE 64 3HD1 ILE 64 -7.305 -4.404 -6.141 483 H GLU 65 H GLU 65 -5.704 -2.183 -11.703 484 HA GLU 65 HA GLU 65 -7.248 -0.194 -13.025 485 1HB GLU 65 2HB GLU 65 -4.335 -1.024 -13.360 486 2HB GLU 65 3HB GLU 65 -5.071 0.426 -14.064 487 1HG GLU 65 2HG GLU 65 -5.725 1.207 -11.785 488 2HG GLU 65 3HG GLU 65 -4.996 -0.212 -11.066 489 H LYS 66 H LYS 66 -5.699 -3.180 -14.302 490 HA LYS 66 HA LYS 66 -6.559 -2.904 -17.005 491 1HB LYS 66 2HB LYS 66 -5.915 -5.280 -15.293 492 2HB LYS 66 3HB LYS 66 -6.486 -5.452 -16.961 493 1HG LYS 66 2HG LYS 66 -4.687 -4.172 -17.856 494 2HG LYS 66 3HG LYS 66 -4.141 -3.648 -16.240 495 1HD LYS 66 2HD LYS 66 -3.433 -5.820 -15.640 496 2HD LYS 66 3HD LYS 66 -4.345 -6.571 -16.955 497 1HE LYS 66 2HE LYS 66 -1.911 -6.626 -17.430 498 2HE LYS 66 3HE LYS 66 -2.837 -5.740 -18.651 499 1HZ LYS 66 1HZ LYS 66 -2.103 -3.680 -17.434 500 2HZ LYS 66 2HZ LYS 66 -1.088 -4.644 -16.547 501 3HZ LYS 66 3HZ LYS 66 -0.880 -4.549 -18.124 502 H LEU 67 H LEU 67 -8.312 -4.137 -14.126 503 HA LEU 67 HA LEU 67 -10.704 -4.844 -15.599 504 1HB LEU 67 2HB LEU 67 -9.909 -4.663 -12.738 505 2HB LEU 67 3HB LEU 67 -11.617 -4.510 -13.086 506 HG LEU 67 HG LEU 67 -10.467 -6.735 -14.640 507 1HD1 LEU 67 1HD1 LEU 67 -10.113 -8.223 -12.691 508 2HD1 LEU 67 2HD1 LEU 67 -8.889 -6.965 -12.928 509 3HD1 LEU 67 3HD1 LEU 67 -10.103 -6.784 -11.641 510 1HD2 LEU 67 1HD2 LEU 67 -12.631 -6.605 -12.500 511 2HD2 LEU 67 2HD2 LEU 67 -12.883 -6.359 -14.242 512 3HD2 LEU 67 3HD2 LEU 67 -12.347 -7.939 -13.636 513 H GLY 68 H GLY 68 -9.355 -1.781 -15.115 514 1HA GLY 68 2HA GLY 68 -10.211 0.214 -15.792 515 2HA GLY 68 3HA GLY 68 -11.820 -0.496 -15.976 516 H TYR 69 H TYR 69 -9.981 -0.842 -12.963 517 HA TYR 69 HA TYR 69 -11.881 1.004 -11.553 518 1HB TYR 69 2HB TYR 69 -10.356 -1.471 -10.848 519 2HB TYR 69 3HB TYR 69 -10.475 -0.219 -9.610 520 HD1 TYR 69 HD1 TYR 69 -11.748 -1.412 -8.037 521 HD2 TYR 69 HD2 TYR 69 -13.131 -1.133 -12.116 522 HE1 TYR 69 HE1 TYR 69 -14.024 -2.000 -7.298 523 HE2 TYR 69 HE2 TYR 69 -15.380 -1.818 -11.385 524 HH TYR 69 HH TYR 69 -16.733 -1.952 -9.524 525 H HIS 70 H HIS 70 -10.735 2.041 -9.571 526 HA HIS 70 HA HIS 70 -8.006 2.923 -10.121 527 1HB HIS 70 2HB HIS 70 -10.405 4.550 -10.748 528 2HB HIS 70 3HB HIS 70 -9.427 5.339 -9.530 529 HD1 HIS 70 1HD HIS 70 -8.193 3.314 -12.612 530 HD2 HIS 70 2HD HIS 70 -8.109 7.165 -10.906 531 HE1 HIS 70 1HE HIS 70 -6.653 4.744 -14.084 532 H VAL 71 H VAL 71 -6.918 3.384 -8.307 533 HA VAL 71 HA VAL 71 -8.251 2.832 -5.729 534 HB VAL 71 HB VAL 71 -5.977 2.491 -4.927 535 1HG1 VAL 71 1HG1 VAL 71 -6.710 0.803 -7.338 536 2HG1 VAL 71 2HG1 VAL 71 -5.562 0.357 -6.061 537 3HG1 VAL 71 3HG1 VAL 71 -7.268 0.584 -5.659 538 1HG2 VAL 71 1HG2 VAL 71 -5.074 2.721 -7.838 539 2HG2 VAL 71 2HG2 VAL 71 -4.703 3.908 -6.569 540 3HG2 VAL 71 3HG2 VAL 71 -4.082 2.261 -6.448 541 H VAL 72 H VAL 72 -8.458 4.349 -4.140 542 HA VAL 72 HA VAL 72 -7.814 7.141 -4.914 543 HB VAL 72 HB VAL 72 -9.337 6.007 -2.547 544 1HG1 VAL 72 1HG1 VAL 72 -10.186 8.321 -2.288 545 2HG1 VAL 72 2HG1 VAL 72 -8.441 8.297 -2.055 546 3HG1 VAL 72 3HG1 VAL 72 -9.114 8.875 -3.592 547 1HG2 VAL 72 1HG2 VAL 72 -11.276 7.033 -3.934 548 2HG2 VAL 72 2HG2 VAL 72 -10.145 7.084 -5.284 549 3HG2 VAL 72 3HG2 VAL 72 -10.575 5.525 -4.546 550 H THR 73 H THR 73 -5.542 6.417 -4.951 551 HA THR 73 HA THR 73 -4.246 6.412 -2.260 552 HB THR 73 HB THR 73 -3.165 5.091 -4.776 553 HG1 THR 73 1HG THR 73 -5.231 4.347 -3.060 554 1HG2 THR 73 1HG2 THR 73 -1.940 3.721 -3.234 555 2HG2 THR 73 2HG2 THR 73 -1.748 5.392 -2.675 556 3HG2 THR 73 3HG2 THR 73 -2.909 4.297 -1.860 557 H GLU 74 H GLU 74 -2.288 7.671 -2.053 558 HA GLU 74 HA GLU 74 -1.788 9.565 -4.289 559 1HB GLU 74 2HB GLU 74 -1.715 11.416 -2.784 560 2HB GLU 74 3HB GLU 74 -3.266 10.605 -2.554 561 1HG GLU 74 2HG GLU 74 -2.298 9.483 -0.503 562 2HG GLU 74 3HG GLU 74 -0.806 10.395 -0.746 563 H LYS 75 H LYS 75 0.251 10.135 -4.559 564 HA LYS 75 HA LYS 75 2.425 8.782 -3.113 565 1HB LYS 75 2HB LYS 75 3.876 9.659 -4.781 566 2HB LYS 75 3HB LYS 75 2.466 8.911 -5.543 567 1HG LYS 75 2HG LYS 75 1.487 11.307 -5.658 568 2HG LYS 75 3HG LYS 75 3.133 11.850 -5.284 569 1HD LYS 75 2HD LYS 75 4.016 10.699 -7.243 570 2HD LYS 75 3HD LYS 75 2.391 10.089 -7.646 571 1HE LYS 75 2HE LYS 75 1.546 12.401 -7.897 572 2HE LYS 75 3HE LYS 75 3.113 13.060 -7.397 573 1HZ LYS 75 1HZ LYS 75 4.087 12.119 -9.358 574 2HZ LYS 75 2HZ LYS 75 2.646 11.467 -9.828 575 3HZ LYS 75 3HZ LYS 75 2.833 13.102 -9.766 576 H ALA 76 H ALA 76 2.676 9.611 -1.127 577 HA ALA 76 HA ALA 76 3.021 12.618 -0.889 578 1HB ALA 76 1HB ALA 76 2.490 10.619 1.322 579 2HB ALA 76 2HB ALA 76 2.752 12.365 1.507 580 3HB ALA 76 3HB ALA 76 1.317 11.768 0.650 581 H GLU 77 H GLU 77 5.078 13.366 0.010 582 HA GLU 77 HA GLU 77 7.208 11.290 -0.130 583 1HB GLU 77 2HB GLU 77 7.224 14.156 -1.071 584 2HB GLU 77 3HB GLU 77 8.551 12.956 -1.131 585 1HG GLU 77 2HG GLU 77 7.241 11.522 -2.627 586 2HG GLU 77 3HG GLU 77 5.901 12.682 -2.608 587 H PHE 78 H PHE 78 8.098 10.925 1.722 588 HA PHE 78 HA PHE 78 8.114 12.997 3.834 589 1HB PHE 78 2HB PHE 78 8.017 9.982 3.912 590 2HB PHE 78 3HB PHE 78 8.572 10.913 5.289 591 HD1 PHE 78 1HD PHE 78 6.965 11.480 6.948 592 HD2 PHE 78 2HD PHE 78 5.628 10.868 2.887 593 HE1 PHE 78 1HE PHE 78 4.633 11.600 7.699 594 HE2 PHE 78 2HE PHE 78 3.299 11.208 3.631 595 HZ PHE 78 HZ PHE 78 2.797 11.526 6.031 596 H ASP 79 H ASP 79 9.945 13.208 5.114 597 HA ASP 79 HA ASP 79 12.548 12.725 3.742 598 1HB ASP 79 2HB ASP 79 11.929 15.090 3.793 599 2HB ASP 79 3HB ASP 79 11.490 14.986 5.504 600 H ILE 80 H ILE 80 14.276 11.881 5.086 601 HA ILE 80 HA ILE 80 13.274 10.693 7.654 602 HB ILE 80 HB ILE 80 15.346 9.563 5.769 603 1HG1 ILE 80 2HG1 ILE 80 12.377 8.895 5.731 604 2HG1 ILE 80 3HG1 ILE 80 13.185 9.880 4.493 605 1HG2 ILE 80 1HG2 ILE 80 14.917 7.501 6.999 606 2HG2 ILE 80 2HG2 ILE 80 15.148 8.774 8.187 607 3HG2 ILE 80 3HG2 ILE 80 13.509 8.225 7.806 608 1HD1 ILE 80 1HD1 ILE 80 13.982 7.061 5.094 609 2HD1 ILE 80 2HD1 ILE 80 12.960 7.648 3.764 610 3HD1 ILE 80 3HD1 ILE 80 14.643 8.173 3.859 611 H GLU 81 H GLU 81 14.450 11.280 9.501 612 HA GLU 81 HA GLU 81 17.062 12.700 8.961 613 1HB GLU 81 2HB GLU 81 14.701 13.556 10.171 614 2HB GLU 81 3HB GLU 81 15.752 13.101 11.515 615 1HG GLU 81 2HG GLU 81 17.369 14.661 11.037 616 2HG GLU 81 3HG GLU 81 16.711 14.983 9.404 617 H GLY 82 H GLY 82 16.737 9.864 9.127 618 1HA GLY 82 2HA GLY 82 18.186 9.113 11.653 619 2HA GLY 82 3HA GLY 82 16.826 8.189 11.005 620 H MET 83 H MET 83 17.484 8.258 8.206 621 HA MET 83 HA MET 83 19.138 5.973 8.097 622 1HB MET 83 2HB MET 83 18.773 6.063 5.732 623 2HB MET 83 3HB MET 83 17.297 6.652 6.506 624 1HG MET 83 2HG MET 83 18.174 9.001 6.216 625 2HG MET 83 3HG MET 83 19.487 8.322 5.234 626 1HE MET 83 1HE MET 83 19.342 7.972 2.726 627 2HE MET 83 2HE MET 83 18.715 6.419 3.324 628 3HE MET 83 3HE MET 83 17.862 7.277 2.029 629 H THR 84 H THR 84 20.739 5.798 6.333 630 HA THR 84 HA THR 84 22.952 5.768 5.962 631 HB THR 84 HB THR 84 22.307 7.753 4.636 632 HG1 THR 84 1HG THR 84 24.522 8.384 4.391 633 1HG2 THR 84 1HG2 THR 84 23.456 9.408 6.920 634 2HG2 THR 84 2HG2 THR 84 23.260 9.971 5.252 635 3HG2 THR 84 3HG2 THR 84 21.847 9.522 6.181 636 H CYS 85 H CYS 85 22.122 5.304 8.464 637 HA CYS 85 HA CYS 85 24.546 5.907 10.066 638 1HB CYS 85 2HB CYS 85 22.952 7.701 10.680 639 2HB CYS 85 3HB CYS 85 21.727 6.475 11.078 640 HG CYS 85 HG CYS 85 22.760 7.413 13.257 641 H ALA 86 H ALA 86 21.281 4.446 10.491 642 HA ALA 86 HA ALA 86 22.574 1.783 10.985 643 1HB ALA 86 1HB ALA 86 20.182 2.985 12.434 644 2HB ALA 86 2HB ALA 86 20.883 1.371 12.693 645 3HB ALA 86 3HB ALA 86 21.823 2.819 13.100 646 H ALA 87 H ALA 87 21.956 2.415 8.473 647 HA ALA 87 HA ALA 87 20.657 1.901 6.614 648 1HB ALA 87 1HB ALA 87 20.120 -0.592 8.267 649 2HB ALA 87 2HB ALA 87 20.132 -0.450 6.497 650 3HB ALA 87 3HB ALA 87 21.636 -0.257 7.401 651 H CYS 88 H CYS 88 19.277 3.579 8.438 652 HA CYS 88 HA CYS 88 16.857 2.556 9.202 653 1HB CYS 88 2HB CYS 88 17.140 5.505 8.558 654 2HB CYS 88 3HB CYS 88 16.033 4.744 9.634 655 HG CYS 88 HG CYS 88 19.150 5.477 10.016 656 H ALA 89 H ALA 89 17.553 4.280 6.162 657 HA ALA 89 HA ALA 89 14.931 4.310 5.064 658 1HB ALA 89 1HB ALA 89 17.682 4.143 3.795 659 2HB ALA 89 2HB ALA 89 16.175 4.408 2.881 660 3HB ALA 89 3HB ALA 89 16.689 5.580 4.105 661 H ASN 90 H ASN 90 17.453 1.832 5.136 662 HA ASN 90 HA ASN 90 16.008 0.016 3.362 663 1HB ASN 90 2HB ASN 90 18.246 -0.626 5.311 664 2HB ASN 90 3HB ASN 90 17.515 -1.763 4.183 665 1HD2 ASN 90 1HD2 ASN 90 19.653 1.068 4.409 666 2HD2 ASN 90 2HD2 ASN 90 20.180 0.962 2.737 667 H ARG 91 H ARG 91 16.237 0.377 6.907 668 HA ARG 91 HA ARG 91 14.392 -1.778 7.550 669 1HB ARG 91 2HB ARG 91 15.516 0.610 8.961 670 2HB ARG 91 3HB ARG 91 13.967 0.015 9.547 671 1HG ARG 91 2HG ARG 91 15.766 -0.931 10.812 672 2HG ARG 91 3HG ARG 91 14.870 -2.191 9.971 673 1HD ARG 91 2HD ARG 91 17.463 -0.966 8.915 674 2HD ARG 91 3HD ARG 91 17.488 -2.327 10.016 675 HE ARG 91 HE ARG 91 16.847 -2.333 7.186 676 1HH1 ARG 91 2HH2 ARG 91 16.240 -4.033 10.203 677 2HH1 ARG 91 1HH2 ARG 91 15.830 -5.557 9.478 678 1HH2 ARG 91 2HH1 ARG 91 16.284 -4.333 6.155 679 2HH2 ARG 91 1HH1 ARG 91 15.866 -5.721 7.106 680 H ILE 92 H ILE 92 13.740 1.738 7.149 681 HA ILE 92 HA ILE 92 10.955 1.403 7.594 682 HB ILE 92 HB ILE 92 10.681 3.685 6.726 683 1HG1 ILE 92 2HG1 ILE 92 13.427 4.491 6.643 684 2HG1 ILE 92 3HG1 ILE 92 13.068 3.255 5.416 685 1HG2 ILE 92 1HG2 ILE 92 11.119 3.339 9.079 686 2HG2 ILE 92 2HG2 ILE 92 12.870 3.331 8.772 687 3HG2 ILE 92 3HG2 ILE 92 11.924 4.816 8.499 688 1HD1 ILE 92 1HD1 ILE 92 11.115 4.602 4.658 689 2HD1 ILE 92 2HD1 ILE 92 11.665 5.897 5.765 690 3HD1 ILE 92 3HD1 ILE 92 12.692 5.358 4.413 691 H GLU 93 H GLU 93 12.877 0.974 4.650 692 HA GLU 93 HA GLU 93 10.883 1.180 2.688 693 1HB GLU 93 2HB GLU 93 13.323 0.780 2.233 694 2HB GLU 93 3HB GLU 93 13.182 -0.833 2.937 695 1HG GLU 93 2HG GLU 93 11.338 -1.249 1.172 696 2HG GLU 93 3HG GLU 93 11.920 0.241 0.421 697 H LYS 94 H LYS 94 11.989 -1.683 4.550 698 HA LYS 94 HA LYS 94 9.930 -3.404 3.588 699 1HB LYS 94 2HB LYS 94 11.523 -3.623 6.185 700 2HB LYS 94 3HB LYS 94 10.621 -4.918 5.391 701 1HG LYS 94 2HG LYS 94 13.169 -3.562 4.432 702 2HG LYS 94 3HG LYS 94 12.905 -5.261 4.859 703 1HD LYS 94 2HD LYS 94 11.222 -5.317 2.890 704 2HD LYS 94 3HD LYS 94 11.882 -3.732 2.437 705 1HE LYS 94 2HE LYS 94 14.203 -4.879 2.482 706 2HE LYS 94 3HE LYS 94 13.313 -6.418 2.495 707 1HZ LYS 94 1HZ LYS 94 13.167 -4.258 0.500 708 2HZ LYS 94 2HZ LYS 94 13.881 -5.710 0.258 709 3HZ LYS 94 3HZ LYS 94 12.236 -5.604 0.419 710 H ARG 95 H ARG 95 9.977 -1.129 6.277 711 HA ARG 95 HA ARG 95 7.463 -2.215 7.413 712 1HB ARG 95 2HB ARG 95 9.014 0.344 7.862 713 2HB ARG 95 3HB ARG 95 7.479 0.009 8.648 714 1HG ARG 95 2HG ARG 95 9.468 -2.227 8.818 715 2HG ARG 95 3HG ARG 95 9.967 -0.727 9.580 716 1HD ARG 95 2HD ARG 95 7.743 -0.668 10.799 717 2HD ARG 95 3HD ARG 95 7.389 -2.274 10.118 718 HE ARG 95 HE ARG 95 9.904 -2.440 11.366 719 1HH1 ARG 95 2HH2 ARG 95 6.579 -1.777 12.313 720 2HH1 ARG 95 1HH2 ARG 95 6.754 -2.327 13.951 721 1HH2 ARG 95 2HH1 ARG 95 10.208 -3.115 13.565 722 2HH2 ARG 95 1HH1 ARG 95 8.898 -3.045 14.691 723 H LEU 96 H LEU 96 8.199 0.950 5.960 724 HA LEU 96 HA LEU 96 5.561 1.781 5.612 725 1HB LEU 96 2HB LEU 96 7.997 2.696 4.096 726 2HB LEU 96 3HB LEU 96 6.419 3.483 4.169 727 HG LEU 96 HG LEU 96 8.427 3.189 6.453 728 1HD1 LEU 96 1HD1 LEU 96 8.270 5.589 6.448 729 2HD1 LEU 96 2HD1 LEU 96 8.539 5.066 4.776 730 3HD1 LEU 96 3HD1 LEU 96 6.910 5.550 5.298 731 1HD2 LEU 96 1HD2 LEU 96 6.453 2.624 7.598 732 2HD2 LEU 96 2HD2 LEU 96 6.701 4.352 7.865 733 3HD2 LEU 96 3HD2 LEU 96 5.487 3.800 6.687 734 H ASN 97 H ASN 97 7.588 -0.199 3.479 735 HA ASN 97 HA ASN 97 6.373 -0.386 1.083 736 1HB ASN 97 2HB ASN 97 7.594 -2.368 2.937 737 2HB ASN 97 3HB ASN 97 6.351 -3.106 1.978 738 1HD2 ASN 97 1HD2 ASN 97 6.493 -1.896 -0.502 739 2HD2 ASN 97 2HD2 ASN 97 8.045 -2.337 -1.197 740 H LYS 98 H LYS 98 5.027 -1.617 4.120 741 HA LYS 98 HA LYS 98 2.312 -1.415 3.229 742 1HB LYS 98 2HB LYS 98 1.758 -3.834 3.556 743 2HB LYS 98 3HB LYS 98 2.558 -3.429 2.047 744 1HG LYS 98 2HG LYS 98 4.401 -4.602 2.465 745 2HG LYS 98 3HG LYS 98 4.497 -4.199 4.174 746 1HD LYS 98 2HD LYS 98 2.537 -6.165 2.957 747 2HD LYS 98 3HD LYS 98 4.086 -6.651 3.655 748 1HE LYS 98 2HE LYS 98 1.613 -5.524 5.066 749 2HE LYS 98 3HE LYS 98 2.297 -7.146 5.199 750 1HZ LYS 98 1HZ LYS 98 4.276 -6.057 6.205 751 2HZ LYS 98 2HZ LYS 98 3.422 -4.632 6.186 752 3HZ LYS 98 3HZ LYS 98 2.884 -5.893 7.078 753 H ILE 99 H ILE 99 2.752 -0.015 5.150 754 HA ILE 99 HA ILE 99 2.668 -1.376 7.755 755 HB ILE 99 HB ILE 99 2.044 1.428 6.814 756 1HG1 ILE 99 2HG1 ILE 99 4.417 0.660 7.156 757 2HG1 ILE 99 3HG1 ILE 99 3.927 2.068 8.101 758 1HG2 ILE 99 1HG2 ILE 99 1.452 0.239 9.544 759 2HG2 ILE 99 2HG2 ILE 99 1.736 1.973 9.279 760 3HG2 ILE 99 3HG2 ILE 99 0.379 1.176 8.483 761 1HD1 ILE 99 1HD1 ILE 99 4.189 -0.785 9.181 762 2HD1 ILE 99 2HD1 ILE 99 5.317 0.548 9.421 763 3HD1 ILE 99 3HD1 ILE 99 3.698 0.641 10.120 764 H GLU 100 H GLU 100 0.104 0.374 5.983 765 HA GLU 100 HA GLU 100 -1.646 -2.011 6.276 766 1HB GLU 100 2HB GLU 100 -2.273 0.799 7.269 767 2HB GLU 100 3HB GLU 100 -3.519 -0.426 6.907 768 1HG GLU 100 2HG GLU 100 -2.367 -1.977 8.520 769 2HG GLU 100 3HG GLU 100 -1.304 -0.637 8.985 770 H GLY 101 H GLY 101 -3.097 0.949 5.217 771 1HA GLY 101 2HA GLY 101 -3.580 -0.275 2.632 772 2HA GLY 101 3HA GLY 101 -4.228 1.259 3.240 773 H VAL 102 H VAL 102 -0.992 -0.054 2.566 774 HA VAL 102 HA VAL 102 -0.218 2.418 1.065 775 HB VAL 102 HB VAL 102 1.509 0.580 2.744 776 1HG1 VAL 102 1HG1 VAL 102 2.869 1.501 1.045 777 2HG1 VAL 102 2HG1 VAL 102 2.011 3.048 1.053 778 3HG1 VAL 102 3HG1 VAL 102 3.077 2.641 2.394 779 1HG2 VAL 102 1HG2 VAL 102 -0.102 1.998 4.103 780 2HG2 VAL 102 2HG2 VAL 102 1.620 2.305 4.393 781 3HG2 VAL 102 3HG2 VAL 102 0.676 3.422 3.404 782 H ALA 103 H ALA 103 0.127 2.128 -1.013 783 HA ALA 103 HA ALA 103 0.004 -0.564 -2.144 784 1HB ALA 103 1HB ALA 103 0.345 2.167 -3.457 785 2HB ALA 103 2HB ALA 103 0.063 0.626 -4.291 786 3HB ALA 103 3HB ALA 103 -1.187 1.295 -3.226 787 H ASN 104 H ASN 104 2.375 2.113 -1.759 788 HA ASN 104 HA ASN 104 4.577 0.185 -2.002 789 1HB ASN 104 2HB ASN 104 4.265 2.437 -4.054 790 2HB ASN 104 3HB ASN 104 5.738 1.501 -3.787 791 1HD2 ASN 104 1HD2 ASN 104 2.570 1.450 -5.296 792 2HD2 ASN 104 2HD2 ASN 104 2.792 -0.114 -6.048 793 H ALA 105 H ALA 105 6.680 1.319 -1.643 794 HA ALA 105 HA ALA 105 6.512 4.023 -0.707 795 1HB ALA 105 1HB ALA 105 5.725 2.894 1.338 796 2HB ALA 105 2HB ALA 105 7.224 1.935 1.373 797 3HB ALA 105 3HB ALA 105 7.285 3.695 1.591 798 HA PRO 106 HA PRO 106 10.609 2.508 -2.316 799 1HB PRO 106 2HB PRO 106 10.990 4.249 -4.401 800 2HB PRO 106 3HB PRO 106 10.047 2.736 -4.521 801 1HG PRO 106 2HG PRO 106 9.030 5.534 -4.125 802 2HG PRO 106 3HG PRO 106 8.392 4.290 -5.228 803 1HD PRO 106 2HD PRO 106 7.247 4.776 -2.777 804 2HD PRO 106 3HD PRO 106 7.316 3.140 -3.484 805 H VAL 107 H VAL 107 12.434 3.193 -1.379 806 HA VAL 107 HA VAL 107 12.537 5.860 -0.137 807 HB VAL 107 HB VAL 107 14.178 5.033 1.303 808 1HG1 VAL 107 1HG1 VAL 107 13.004 3.278 2.465 809 2HG1 VAL 107 2HG1 VAL 107 11.798 4.329 1.723 810 3HG1 VAL 107 3HG1 VAL 107 12.169 2.761 0.990 811 1HG2 VAL 107 1HG2 VAL 107 15.049 2.693 1.212 812 2HG2 VAL 107 2HG2 VAL 107 14.324 2.504 -0.394 813 3HG2 VAL 107 3HG2 VAL 107 15.617 3.697 -0.125 814 H ASN 108 H ASN 108 14.084 7.396 -0.674 815 HA ASN 108 HA ASN 108 15.814 6.891 -3.042 816 1HB ASN 108 2HB ASN 108 15.304 9.385 -1.360 817 2HB ASN 108 3HB ASN 108 16.317 9.315 -2.803 818 1HD2 ASN 108 1HD2 ASN 108 15.243 8.755 -4.912 819 2HD2 ASN 108 2HD2 ASN 108 13.570 9.238 -5.100 820 H PHE 109 H PHE 109 18.131 7.617 -2.694 821 HA PHE 109 HA PHE 109 19.024 7.612 0.142 822 1HB PHE 109 2HB PHE 109 19.487 5.531 -1.694 823 2HB PHE 109 3HB PHE 109 20.959 6.477 -1.739 824 HD1 PHE 109 1HD PHE 109 22.328 6.759 0.360 825 HD2 PHE 109 2HD PHE 109 18.717 4.404 0.337 826 HE1 PHE 109 1HE PHE 109 22.960 5.768 2.536 827 HE2 PHE 109 2HE PHE 109 19.384 3.350 2.456 828 HZ PHE 109 HZ PHE 109 21.520 4.027 3.584 829 H ALA 110 H ALA 110 18.602 9.513 -2.304 830 HA ALA 110 HA ALA 110 21.270 10.875 -2.277 831 1HB ALA 110 1HB ALA 110 20.473 11.988 -4.318 832 2HB ALA 110 2HB ALA 110 20.453 10.222 -4.498 833 3HB ALA 110 3HB ALA 110 18.934 11.105 -4.226 834 H LEU 111 H LEU 111 17.740 11.514 -2.195 835 HA LEU 111 HA LEU 111 18.162 14.201 -1.100 836 1HB LEU 111 2HB LEU 111 15.488 12.893 -1.288 837 2HB LEU 111 3HB LEU 111 15.920 14.581 -1.511 838 HG LEU 111 HG LEU 111 16.346 12.262 -3.460 839 1HD1 LEU 111 1HD1 LEU 111 14.695 13.438 -4.830 840 2HD1 LEU 111 2HD1 LEU 111 14.026 13.023 -3.242 841 3HD1 LEU 111 3HD1 LEU 111 14.526 14.694 -3.585 842 1HD2 LEU 111 1HD2 LEU 111 18.200 13.955 -3.697 843 2HD2 LEU 111 2HD2 LEU 111 17.098 14.002 -5.079 844 3HD2 LEU 111 3HD2 LEU 111 16.987 15.243 -3.814 845 H GLU 112 H GLU 112 17.922 11.053 0.171 846 HA GLU 112 HA GLU 112 17.505 10.100 2.075 847 1HB GLU 112 2HB GLU 112 17.963 12.850 3.307 848 2HB GLU 112 3HB GLU 112 17.887 11.329 4.199 849 1HG GLU 112 2HG GLU 112 19.756 10.423 2.788 850 2HG GLU 112 3HG GLU 112 19.909 12.007 2.005 851 H THR 113 H THR 113 15.377 10.520 0.564 852 HA THR 113 HA THR 113 13.137 11.110 2.425 853 HB THR 113 HB THR 113 11.913 11.702 0.279 854 HG1 THR 113 1HG THR 113 13.178 10.696 -1.263 855 1HG2 THR 113 1HG2 THR 113 13.148 13.850 -0.118 856 2HG2 THR 113 2HG2 THR 113 12.784 13.545 1.594 857 3HG2 THR 113 3HG2 THR 113 14.422 13.297 0.967 858 H VAL 114 H VAL 114 11.175 9.981 1.940 859 HA VAL 114 HA VAL 114 11.383 7.570 0.258 860 HB VAL 114 HB VAL 114 11.608 6.604 2.425 861 1HG1 VAL 114 1HG1 VAL 114 10.785 8.563 3.818 862 2HG1 VAL 114 2HG1 VAL 114 9.133 8.127 3.350 863 3HG1 VAL 114 3HG1 VAL 114 10.102 7.009 4.308 864 1HG2 VAL 114 1HG2 VAL 114 9.716 5.164 2.595 865 2HG2 VAL 114 2HG2 VAL 114 8.645 6.348 1.845 866 3HG2 VAL 114 3HG2 VAL 114 9.904 5.547 0.876 867 H THR 115 H THR 115 9.682 7.322 -1.105 868 HA THR 115 HA THR 115 7.445 9.272 -0.923 869 HB THR 115 HB THR 115 8.122 7.037 -2.862 870 HG1 THR 115 1HG THR 115 9.499 8.952 -2.827 871 1HG2 THR 115 1HG2 THR 115 5.700 7.461 -2.843 872 2HG2 THR 115 2HG2 THR 115 6.008 9.212 -2.946 873 3HG2 THR 115 3HG2 THR 115 6.430 8.144 -4.307 874 H VAL 116 H VAL 116 5.492 8.528 -0.088 875 HA VAL 116 HA VAL 116 5.164 5.627 0.497 876 HB VAL 116 HB VAL 116 5.265 6.929 2.601 877 1HG1 VAL 116 1HG1 VAL 116 3.539 8.598 3.146 878 2HG1 VAL 116 2HG1 VAL 116 4.446 9.115 1.744 879 3HG1 VAL 116 3HG1 VAL 116 2.821 8.419 1.566 880 1HG2 VAL 116 1HG2 VAL 116 2.987 6.146 3.432 881 2HG2 VAL 116 2HG2 VAL 116 2.586 5.789 1.755 882 3HG2 VAL 116 3HG2 VAL 116 3.925 4.935 2.543 883 H GLU 117 H GLU 117 3.599 4.796 -0.824 884 HA GLU 117 HA GLU 117 1.836 6.713 -2.276 885 1HB GLU 117 2HB GLU 117 3.710 4.855 -3.296 886 2HB GLU 117 3HB GLU 117 2.175 3.998 -3.437 887 1HG GLU 117 2HG GLU 117 2.791 6.773 -4.524 888 2HG GLU 117 3HG GLU 117 2.719 5.277 -5.466 889 H TYR 118 H TYR 118 -0.027 6.661 -0.976 890 HA TYR 118 HA TYR 118 -1.096 4.034 -0.147 891 1HB TYR 118 2HB TYR 118 -0.901 4.312 2.136 892 2HB TYR 118 3HB TYR 118 0.685 4.782 1.551 893 HD1 TYR 118 HD1 TYR 118 0.754 7.533 1.026 894 HD2 TYR 118 HD2 TYR 118 -1.893 5.546 3.783 895 HE1 TYR 118 HE1 TYR 118 0.582 9.607 2.363 896 HE2 TYR 118 HE2 TYR 118 -2.004 7.602 5.148 897 HH TYR 118 HH TYR 118 -0.472 10.635 4.136 898 H ASN 119 H ASN 119 -2.996 4.248 1.312 899 HA ASN 119 HA ASN 119 -4.856 6.013 -0.104 900 1HB ASN 119 2HB ASN 119 -4.927 3.417 0.305 901 2HB ASN 119 3HB ASN 119 -5.689 3.857 1.824 902 1HD2 ASN 119 1HD2 ASN 119 -6.178 3.195 -1.444 903 2HD2 ASN 119 2HD2 ASN 119 -7.774 3.880 -1.657 904 HA PRO 120 HA PRO 120 -4.379 8.445 3.711 905 1HB PRO 120 2HB PRO 120 -5.344 10.844 2.921 906 2HB PRO 120 3HB PRO 120 -3.827 10.176 2.260 907 1HG PRO 120 2HG PRO 120 -6.596 9.980 1.031 908 2HG PRO 120 3HG PRO 120 -5.106 10.586 0.253 909 1HD PRO 120 2HD PRO 120 -5.938 8.015 -0.041 910 2HD PRO 120 3HD PRO 120 -4.202 8.412 0.094 911 H LYS 121 H LYS 121 -7.124 7.026 2.543 912 HA LYS 121 HA LYS 121 -9.034 8.231 4.504 913 1HB LYS 121 2HB LYS 121 -10.662 7.610 3.205 914 2HB LYS 121 3HB LYS 121 -9.441 7.498 1.957 915 1HG LYS 121 2HG LYS 121 -10.675 5.590 1.757 916 2HG LYS 121 3HG LYS 121 -9.211 5.010 2.541 917 1HD LYS 121 2HD LYS 121 -10.290 4.599 4.568 918 2HD LYS 121 3HD LYS 121 -11.546 5.798 4.293 919 1HE LYS 121 2HE LYS 121 -12.844 4.310 2.967 920 2HE LYS 121 3HE LYS 121 -11.417 3.409 2.426 921 1HZ LYS 121 1HZ LYS 121 -12.681 2.051 3.843 922 2HZ LYS 121 2HZ LYS 121 -11.212 2.367 4.470 923 3HZ LYS 121 3HZ LYS 121 -12.504 3.114 5.117 924 H GLU 122 H GLU 122 -6.928 5.482 3.888 925 HA GLU 122 HA GLU 122 -8.222 3.923 6.037 926 1HB GLU 122 2HB GLU 122 -7.301 3.226 3.531 927 2HB GLU 122 3HB GLU 122 -5.905 2.805 4.543 928 1HG GLU 122 2HG GLU 122 -7.337 0.883 4.273 929 2HG GLU 122 3HG GLU 122 -7.518 1.402 5.943 930 H ALA 123 H ALA 123 -5.259 5.720 5.270 931 HA ALA 123 HA ALA 123 -4.557 5.632 8.158 932 1HB ALA 123 1HB ALA 123 -2.173 5.252 7.666 933 2HB ALA 123 2HB ALA 123 -3.153 3.883 7.128 934 3HB ALA 123 3HB ALA 123 -2.548 5.057 5.942 935 H SER 124 H SER 124 -2.416 7.324 8.226 936 HA SER 124 HA SER 124 -2.723 9.606 6.460 937 1HB SER 124 2HB SER 124 -3.740 9.722 9.337 938 2HB SER 124 3HB SER 124 -3.331 11.158 8.386 939 HG SER 124 HG SER 124 -5.023 9.431 7.071 940 H VAL 125 H VAL 125 -1.099 11.373 7.218 941 HA VAL 125 HA VAL 125 1.391 10.434 7.612 942 HB VAL 125 HB VAL 125 1.973 12.623 8.036 943 1HG1 VAL 125 1HG1 VAL 125 -0.626 13.108 6.523 944 2HG1 VAL 125 2HG1 VAL 125 0.919 13.922 6.324 945 3HG1 VAL 125 3HG1 VAL 125 0.733 12.238 5.795 946 1HG2 VAL 125 1HG2 VAL 125 0.382 14.475 8.677 947 2HG2 VAL 125 2HG2 VAL 125 -0.820 13.224 9.053 948 3HG2 VAL 125 3HG2 VAL 125 0.709 13.315 9.964 949 H SER 126 H SER 126 -0.841 11.258 10.329 950 HA SER 126 HA SER 126 0.976 11.040 12.447 951 1HB SER 126 2HB SER 126 -1.875 9.942 12.412 952 2HB SER 126 3HB SER 126 -1.025 10.701 13.767 953 HG SER 126 HG SER 126 -1.126 12.673 12.614 954 H ASP 127 H ASP 127 -0.560 8.537 10.474 955 HA ASP 127 HA ASP 127 -0.021 6.272 12.205 956 1HB ASP 127 2HB ASP 127 -1.749 6.144 10.431 957 2HB ASP 127 3HB ASP 127 -0.495 6.381 9.189 958 H LEU 128 H LEU 128 1.549 7.839 9.438 959 HA LEU 128 HA LEU 128 3.822 6.091 9.296 960 1HB LEU 128 2HB LEU 128 3.347 8.958 8.357 961 2HB LEU 128 3HB LEU 128 4.858 8.133 8.112 962 HG LEU 128 HG LEU 128 2.138 7.333 7.046 963 1HD1 LEU 128 1HD1 LEU 128 2.908 8.916 5.569 964 2HD1 LEU 128 2HD1 LEU 128 4.628 8.648 5.969 965 3HD1 LEU 128 3HD1 LEU 128 3.793 7.521 4.924 966 1HD2 LEU 128 1HD2 LEU 128 3.448 5.531 5.772 967 2HD2 LEU 128 2HD2 LEU 128 4.792 5.872 6.886 968 3HD2 LEU 128 3HD2 LEU 128 3.239 5.205 7.475 969 H LYS 129 H LYS 129 3.334 9.196 10.962 970 HA LYS 129 HA LYS 129 5.981 9.285 12.029 971 1HB LYS 129 2HB LYS 129 3.422 10.548 13.071 972 2HB LYS 129 3HB LYS 129 5.055 10.882 13.661 973 1HG LYS 129 2HG LYS 129 5.435 11.148 10.942 974 2HG LYS 129 3HG LYS 129 3.770 11.680 11.067 975 1HD LYS 129 2HD LYS 129 6.179 12.848 12.564 976 2HD LYS 129 3HD LYS 129 5.468 13.470 11.084 977 1HE LYS 129 2HE LYS 129 4.579 14.864 12.744 978 2HE LYS 129 3HE LYS 129 3.258 13.774 12.302 979 1HZ LYS 129 1HZ LYS 129 3.800 12.478 14.276 980 2HZ LYS 129 2HZ LYS 129 5.009 13.523 14.668 981 3HZ LYS 129 3HZ LYS 129 3.448 14.036 14.673 982 H GLU 130 H GLU 130 3.021 7.662 13.317 983 HA GLU 130 HA GLU 130 4.372 6.723 15.685 984 1HB GLU 130 2HB GLU 130 1.787 6.794 14.829 985 2HB GLU 130 3HB GLU 130 2.135 5.100 14.493 986 1HG GLU 130 2HG GLU 130 2.678 6.434 17.195 987 2HG GLU 130 3HG GLU 130 1.124 5.745 16.733 988 H ALA 131 H ALA 131 3.792 5.300 12.471 989 HA ALA 131 HA ALA 131 4.748 2.724 12.882 990 1HB ALA 131 1HB ALA 131 3.543 3.419 10.845 991 2HB ALA 131 2HB ALA 131 4.931 4.417 10.351 992 3HB ALA 131 3HB ALA 131 5.099 2.664 10.437 993 H VAL 132 H VAL 132 6.606 5.642 11.701 994 HA VAL 132 HA VAL 132 9.040 4.209 11.661 995 HB VAL 132 HB VAL 132 8.293 6.306 10.450 996 1HG1 VAL 132 1HG1 VAL 132 8.410 7.538 13.057 997 2HG1 VAL 132 2HG1 VAL 132 9.684 8.208 12.063 998 3HG1 VAL 132 3HG1 VAL 132 7.978 8.175 11.512 999 1HG2 VAL 132 1HG2 VAL 132 10.270 5.343 9.942 1000 2HG2 VAL 132 2HG2 VAL 132 10.854 6.946 10.394 1001 3HG2 VAL 132 3HG2 VAL 132 11.007 5.609 11.536 1002 H ASP 133 H ASP 133 7.308 5.913 14.276 1003 HA ASP 133 HA ASP 133 9.533 6.239 15.960 1004 1HB ASP 133 2HB ASP 133 7.269 7.287 16.318 1005 2HB ASP 133 3HB ASP 133 6.670 5.713 16.875 1006 H LYS 134 H LYS 134 7.248 3.631 15.395 1007 HA LYS 134 HA LYS 134 8.316 1.727 17.174 1008 1HB LYS 134 2HB LYS 134 6.186 1.895 15.453 1009 2HB LYS 134 3HB LYS 134 7.142 0.675 14.621 1010 1HG LYS 134 2HG LYS 134 7.043 -0.809 16.504 1011 2HG LYS 134 3HG LYS 134 6.591 0.511 17.599 1012 1HD LYS 134 2HD LYS 134 4.414 0.786 16.367 1013 2HD LYS 134 3HD LYS 134 4.821 -0.622 15.387 1014 1HE LYS 134 2HE LYS 134 3.323 -1.288 17.179 1015 2HE LYS 134 3HE LYS 134 4.908 -2.019 17.482 1016 1HZ LYS 134 1HZ LYS 134 3.903 -1.023 19.454 1017 2HZ LYS 134 2HZ LYS 134 5.322 -0.281 19.092 1018 3HZ LYS 134 3HZ LYS 134 3.898 0.462 18.740 1019 H LEU 135 H LEU 135 9.962 2.953 14.499 1020 HA LEU 135 HA LEU 135 11.868 0.630 14.496 1021 1HB LEU 135 2HB LEU 135 11.715 3.102 12.720 1022 2HB LEU 135 3HB LEU 135 13.077 1.998 12.799 1023 HG LEU 135 HG LEU 135 11.691 1.641 10.845 1024 1HD1 LEU 135 1HD1 LEU 135 11.725 -0.760 10.909 1025 2HD1 LEU 135 2HD1 LEU 135 13.079 -0.176 11.880 1026 3HD1 LEU 135 3HD1 LEU 135 11.616 -0.787 12.680 1027 1HD2 LEU 135 1HD2 LEU 135 9.534 2.159 12.136 1028 2HD2 LEU 135 2HD2 LEU 135 9.461 0.941 10.881 1029 3HD2 LEU 135 3HD2 LEU 135 9.522 0.451 12.595 1030 H GLY 136 H GLY 136 11.306 3.877 15.704 1031 1HA GLY 136 2HA GLY 136 12.476 5.052 17.263 1032 2HA GLY 136 3HA GLY 136 13.780 3.856 17.239 1033 H TYR 137 H TYR 137 12.347 5.758 14.560 1034 HA TYR 137 HA TYR 137 14.905 7.282 14.212 1035 1HB TYR 137 2HB TYR 137 13.097 6.429 11.953 1036 2HB TYR 137 3HB TYR 137 14.713 7.115 11.841 1037 HD1 TYR 137 HD1 TYR 137 16.288 5.392 13.712 1038 HD2 TYR 137 HD2 TYR 137 13.317 4.437 10.752 1039 HE1 TYR 137 HE1 TYR 137 17.391 3.234 13.301 1040 HE2 TYR 137 HE2 TYR 137 14.554 2.358 10.226 1041 HH TYR 137 HH TYR 137 17.572 1.481 11.780 1042 H LYS 138 H LYS 138 13.952 9.168 12.276 1043 HA LYS 138 HA LYS 138 11.415 10.145 13.414 1044 1HB LYS 138 2HB LYS 138 12.209 12.347 13.782 1045 2HB LYS 138 3HB LYS 138 13.132 11.208 14.756 1046 1HG LYS 138 2HG LYS 138 14.540 11.496 12.304 1047 2HG LYS 138 3HG LYS 138 13.980 13.116 12.740 1048 1HD LYS 138 2HD LYS 138 15.243 11.800 15.046 1049 2HD LYS 138 3HD LYS 138 16.240 11.581 13.630 1050 1HE LYS 138 2HE LYS 138 15.819 14.244 13.378 1051 2HE LYS 138 3HE LYS 138 15.503 14.118 15.099 1052 1HZ LYS 138 1HZ LYS 138 17.789 14.615 14.520 1053 2HZ LYS 138 2HZ LYS 138 17.730 13.153 15.280 1054 3HZ LYS 138 3HZ LYS 138 17.916 13.232 13.638 1055 H LEU 139 H LEU 139 10.083 10.569 11.865 1056 HA LEU 139 HA LEU 139 11.027 10.699 9.048 1057 1HB LEU 139 2HB LEU 139 9.820 8.674 9.908 1058 2HB LEU 139 3HB LEU 139 8.390 9.710 10.115 1059 HG LEU 139 HG LEU 139 8.248 9.985 7.753 1060 1HD1 LEU 139 1HD1 LEU 139 9.743 8.662 6.199 1061 2HD1 LEU 139 2HD1 LEU 139 10.591 9.985 6.992 1062 3HD1 LEU 139 3HD1 LEU 139 10.804 8.321 7.581 1063 1HD2 LEU 139 1HD2 LEU 139 7.292 7.987 8.837 1064 2HD2 LEU 139 2HD2 LEU 139 7.655 7.779 7.112 1065 3HD2 LEU 139 3HD2 LEU 139 8.749 7.088 8.336 1066 H LYS 140 H LYS 140 10.409 12.512 7.992 1067 HA LYS 140 HA LYS 140 8.425 14.409 9.218 1068 1HB LYS 140 2HB LYS 140 11.116 14.932 7.880 1069 2HB LYS 140 3HB LYS 140 9.884 16.183 8.102 1070 1HG LYS 140 2HG LYS 140 9.939 15.871 10.533 1071 2HG LYS 140 3HG LYS 140 11.167 14.595 10.364 1072 1HD LYS 140 2HD LYS 140 12.777 16.109 9.451 1073 2HD LYS 140 3HD LYS 140 11.572 17.390 9.208 1074 1HE LYS 140 2HE LYS 140 11.301 17.704 11.610 1075 2HE LYS 140 3HE LYS 140 12.353 16.320 11.957 1076 1HZ LYS 140 1HZ LYS 140 13.243 18.765 10.554 1077 2HZ LYS 140 2HZ LYS 140 13.524 18.414 12.149 1078 3HZ LYS 140 3HZ LYS 140 14.178 17.489 10.988 1079 H LEU 141 H LEU 141 7.801 16.014 7.356 1080 HA LEU 141 HA LEU 141 7.158 14.456 4.893 1081 1HB LEU 141 2HB LEU 141 5.842 16.826 6.194 1082 2HB LEU 141 3HB LEU 141 5.586 16.373 4.507 1083 HG LEU 141 HG LEU 141 5.243 13.950 5.832 1084 1HD1 LEU 141 1HD1 LEU 141 3.609 14.354 7.613 1085 2HD1 LEU 141 2HD1 LEU 141 5.174 15.066 8.033 1086 3HD1 LEU 141 3HD1 LEU 141 3.846 16.104 7.465 1087 1HD2 LEU 141 1HD2 LEU 141 3.095 15.926 5.002 1088 2HD2 LEU 141 2HD2 LEU 141 3.949 14.792 3.929 1089 3HD2 LEU 141 3HD2 LEU 141 2.906 14.171 5.212 1090 H LYS 142 H LYS 142 7.688 15.525 2.870 1091 HA LYS 142 HA LYS 142 9.937 17.391 3.054 1092 1HB LYS 142 2HB LYS 142 8.302 16.205 0.785 1093 2HB LYS 142 3HB LYS 142 9.287 17.644 0.551 1094 1HG LYS 142 2HG LYS 142 11.241 16.330 1.643 1095 2HG LYS 142 3HG LYS 142 10.290 14.877 1.330 1096 1HD LYS 142 2HD LYS 142 10.851 16.975 -0.828 1097 2HD LYS 142 3HD LYS 142 12.063 15.754 -0.416 1098 1HE LYS 142 2HE LYS 142 10.468 13.961 -0.956 1099 2HE LYS 142 3HE LYS 142 9.222 15.187 -1.325 1100 1HZ LYS 142 1HZ LYS 142 11.715 14.746 -2.827 1101 2HZ LYS 142 2HZ LYS 142 10.175 14.360 -3.266 1102 3HZ LYS 142 3HZ LYS 142 10.594 15.933 -3.140 1103 H GLY 143 H GLY 143 9.209 19.091 4.175 1104 1HA GLY 143 2HA GLY 143 8.916 21.404 3.843 1105 2HA GLY 143 3HA GLY 143 7.987 21.090 2.366 1106 H GLU 144 H GLU 144 6.088 19.304 3.384 1107 HA GLU 144 HA GLU 144 4.239 21.049 4.809 1108 1HB GLU 144 2HB GLU 144 3.527 19.532 3.043 1109 2HB GLU 144 3HB GLU 144 3.949 18.120 4.021 1110 1HG GLU 144 2HG GLU 144 2.120 18.388 5.426 1111 2HG GLU 144 3HG GLU 144 2.094 20.149 5.256 1112 H GLN 145 H GLN 145 6.100 21.185 6.427 1113 HA GLN 145 HA GLN 145 5.485 20.203 8.994 1114 1HB GLN 145 2HB GLN 145 7.319 18.493 7.363 1115 2HB GLN 145 3HB GLN 145 8.027 19.013 8.883 1116 1HG GLN 145 2HG GLN 145 5.243 17.808 8.889 1117 2HG GLN 145 3HG GLN 145 6.678 16.792 8.807 1118 1HE2 GLN 145 1HE2 GLN 145 7.148 15.952 10.792 1119 2HE2 GLN 145 2HE2 GLN 145 7.064 16.882 12.282 1120 H ASP 146 H ASP 146 8.299 20.921 6.855 1121 HA ASP 146 HA ASP 146 9.452 22.784 8.738 1122 1HB ASP 146 2HB ASP 146 10.178 22.189 5.848 1123 2HB ASP 146 3HB ASP 146 11.193 22.980 7.059 1124 H SER 147 H SER 147 6.820 23.530 8.042 1125 HA SER 147 HA SER 147 5.497 25.195 7.350 1126 1HB SER 147 2HB SER 147 7.508 26.137 8.941 1127 2HB SER 147 3HB SER 147 7.713 27.199 7.545 1128 HG SER 147 HG SER 147 5.298 26.738 9.001 1129 H ILE 148 H ILE 148 6.927 23.884 5.002 1130 HA ILE 148 HA ILE 148 7.326 26.205 3.191 1131 HB ILE 148 HB ILE 148 7.384 23.271 2.529 1132 1HG1 ILE 148 2HG1 ILE 148 9.117 23.716 4.188 1133 2HG1 ILE 148 3HG1 ILE 148 9.837 23.464 2.604 1134 1HG2 ILE 148 1HG2 ILE 148 7.067 24.563 0.521 1135 2HG2 ILE 148 2HG2 ILE 148 8.287 25.746 1.007 1136 3HG2 ILE 148 3HG2 ILE 148 8.762 24.088 0.584 1137 1HD1 ILE 148 1HD1 ILE 148 10.125 25.940 2.357 1138 2HD1 ILE 148 2HD1 ILE 148 9.445 26.155 3.988 1139 3HD1 ILE 148 3HD1 ILE 148 10.960 25.275 3.768 1140 H GLU 149 H GLU 149 5.195 27.024 3.733 1141 HA GLU 149 HA GLU 149 3.417 26.390 1.509 1142 1HB GLU 149 2HB GLU 149 2.546 25.024 3.382 1143 2HB GLU 149 3HB GLU 149 2.385 26.465 4.394 1144 1HG GLU 149 2HG GLU 149 0.981 26.292 1.694 1145 2HG GLU 149 3HG GLU 149 0.324 25.461 3.106 1146 H GLY 150 H GLY 150 1.962 28.414 1.147 1147 1HA GLY 150 2HA GLY 150 2.354 30.818 2.339 1148 2HA GLY 150 3HA GLY 150 3.737 30.666 1.227 1149 H ARG 151 H ARG 151 2.457 32.578 0.425 1150 HA ARG 151 HA ARG 151 -0.100 32.107 -0.936 1151 1HB ARG 151 2HB ARG 151 0.443 33.991 0.663 1152 2HB ARG 151 3HB ARG 151 1.540 34.655 -0.547 1153 1HG ARG 151 2HG ARG 151 -1.462 34.225 -0.904 1154 2HG ARG 151 3HG ARG 151 -0.705 35.730 -0.373 1155 1HD ARG 151 2HD ARG 151 -0.646 36.342 -2.568 1156 2HD ARG 151 3HD ARG 151 0.721 35.255 -2.677 1157 HE ARG 151 HE ARG 151 -0.498 33.617 -3.686 1158 1HH1 ARG 151 2HH2 ARG 151 -2.691 36.007 -2.384 1159 2HH1 ARG 151 1HH2 ARG 151 -4.085 35.569 -3.328 1160 1HH2 ARG 151 2HH1 ARG 151 -2.288 33.000 -5.051 1161 2HH2 ARG 151 1HH1 ARG 151 -3.846 33.762 -4.890 Start of MODEL 15 1 1H MET 1 H1 MET 1 10.086 -18.475 7.343 2 2H MET 1 H2 MET 1 10.078 -19.293 8.771 3 3H MET 1 H3 MET 1 10.064 -20.122 7.342 4 HA MET 1 HA MET 1 7.904 -20.143 8.364 5 1HB MET 1 2HB MET 1 8.283 -17.153 8.124 6 2HB MET 1 3HB MET 1 6.676 -17.877 8.241 7 1HG MET 1 2HG MET 1 8.587 -18.814 10.327 8 2HG MET 1 3HG MET 1 8.193 -17.092 10.379 9 1HE MET 1 1HE MET 1 6.072 -18.643 13.279 10 2HE MET 1 2HE MET 1 7.610 -19.334 12.711 11 3HE MET 1 3HE MET 1 7.423 -17.566 12.854 12 H LEU 2 H LEU 2 8.550 -17.632 5.831 13 HA LEU 2 HA LEU 2 8.307 -17.625 3.625 14 1HB LEU 2 2HB LEU 2 7.862 -20.631 3.819 15 2HB LEU 2 3HB LEU 2 7.769 -19.734 2.321 16 HG LEU 2 HG LEU 2 10.251 -19.550 4.054 17 1HD1 LEU 2 1HD1 LEU 2 9.613 -21.618 1.906 18 2HD1 LEU 2 2HD1 LEU 2 11.207 -21.361 2.645 19 3HD1 LEU 2 3HD1 LEU 2 9.857 -21.939 3.635 20 1HD2 LEU 2 1HD2 LEU 2 9.737 -19.219 1.054 21 2HD2 LEU 2 2HD2 LEU 2 10.011 -17.890 2.196 22 3HD2 LEU 2 3HD2 LEU 2 11.307 -19.045 1.858 23 H SER 3 H SER 3 5.743 -19.844 4.838 24 HA SER 3 HA SER 3 3.772 -18.772 3.060 25 1HB SER 3 2HB SER 3 3.381 -20.447 5.572 26 2HB SER 3 3HB SER 3 2.317 -20.366 4.157 27 HG SER 3 HG SER 3 4.153 -21.192 2.939 28 H GLU 4 H GLU 4 4.592 -16.503 4.161 29 HA GLU 4 HA GLU 4 2.901 -15.690 6.466 30 1HB GLU 4 2HB GLU 4 5.566 -14.941 5.409 31 2HB GLU 4 3HB GLU 4 4.553 -13.542 5.767 32 1HG GLU 4 2HG GLU 4 4.200 -14.234 8.033 33 2HG GLU 4 3HG GLU 4 4.989 -15.800 7.752 34 H GLN 5 H GLN 5 1.101 -16.079 5.020 35 HA GLN 5 HA GLN 5 0.513 -14.363 2.797 36 1HB GLN 5 2HB GLN 5 -1.466 -15.472 4.869 37 2HB GLN 5 3HB GLN 5 -1.835 -14.899 3.236 38 1HG GLN 5 2HG GLN 5 -0.295 -17.389 4.029 39 2HG GLN 5 3HG GLN 5 -1.809 -17.288 3.110 40 1HE2 GLN 5 1HE2 GLN 5 1.333 -17.988 2.735 41 2HE2 GLN 5 2HE2 GLN 5 1.712 -17.288 1.168 42 H LYS 6 H LYS 6 -0.051 -12.262 2.669 43 HA LYS 6 HA LYS 6 -0.544 -10.804 5.253 44 1HB LYS 6 2HB LYS 6 0.559 -8.905 4.292 45 2HB LYS 6 3HB LYS 6 1.668 -10.263 4.625 46 1HG LYS 6 2HG LYS 6 1.975 -10.740 2.328 47 2HG LYS 6 3HG LYS 6 0.523 -9.881 1.826 48 1HD LYS 6 2HD LYS 6 2.464 -8.592 1.235 49 2HD LYS 6 3HD LYS 6 1.436 -7.729 2.388 50 1HE LYS 6 2HE LYS 6 3.752 -9.431 3.382 51 2HE LYS 6 3HE LYS 6 4.097 -7.846 2.699 52 1HZ LYS 6 1HZ LYS 6 3.834 -7.697 5.067 53 2HZ LYS 6 2HZ LYS 6 2.619 -6.855 4.350 54 3HZ LYS 6 3HZ LYS 6 2.328 -8.330 5.004 55 H GLU 7 H GLU 7 -2.023 -9.231 5.216 56 HA GLU 7 HA GLU 7 -3.847 -9.030 2.934 57 1HB GLU 7 2HB GLU 7 -5.072 -7.488 4.399 58 2HB GLU 7 3HB GLU 7 -4.867 -9.076 5.136 59 1HG GLU 7 2HG GLU 7 -2.963 -6.810 5.838 60 2HG GLU 7 3HG GLU 7 -4.549 -6.963 6.587 61 H ILE 8 H ILE 8 -4.148 -7.158 1.789 62 HA ILE 8 HA ILE 8 -2.784 -4.704 2.724 63 HB ILE 8 HB ILE 8 -1.325 -5.373 0.960 64 1HG1 ILE 8 2HG1 ILE 8 -3.180 -3.222 -0.149 65 2HG1 ILE 8 3HG1 ILE 8 -1.909 -2.980 1.063 66 1HG2 ILE 8 1HG2 ILE 8 -2.690 -6.991 -0.167 67 2HG2 ILE 8 2HG2 ILE 8 -3.778 -5.733 -0.809 68 3HG2 ILE 8 3HG2 ILE 8 -2.096 -5.813 -1.340 69 1HD1 ILE 8 1HD1 ILE 8 -0.233 -3.871 -0.622 70 2HD1 ILE 8 2HD1 ILE 8 -1.522 -3.787 -1.848 71 3HD1 ILE 8 3HD1 ILE 8 -0.989 -2.321 -1.031 72 H ALA 9 H ALA 9 -4.250 -3.032 2.831 73 HA ALA 9 HA ALA 9 -7.015 -3.545 1.808 74 1HB ALA 9 1HB ALA 9 -7.769 -2.376 3.835 75 2HB ALA 9 2HB ALA 9 -6.849 -3.839 4.244 76 3HB ALA 9 3HB ALA 9 -6.089 -2.239 4.395 77 H MET 10 H MET 10 -7.689 -1.987 0.387 78 HA MET 10 HA MET 10 -6.746 0.795 0.727 79 1HB MET 10 2HB MET 10 -6.039 -0.965 -1.649 80 2HB MET 10 3HB MET 10 -6.246 0.767 -1.843 81 1HG MET 10 2HG MET 10 -4.556 1.018 0.135 82 2HG MET 10 3HG MET 10 -4.164 -0.673 -0.163 83 1HE MET 10 1HE MET 10 -4.235 -0.921 -3.330 84 2HE MET 10 2HE MET 10 -2.537 -0.536 -3.700 85 3HE MET 10 3HE MET 10 -2.930 -1.548 -2.293 86 H GLN 11 H GLN 11 -8.020 2.339 -0.292 87 HA GLN 11 HA GLN 11 -10.720 1.551 -0.988 88 1HB GLN 11 2HB GLN 11 -9.456 3.869 0.073 89 2HB GLN 11 3HB GLN 11 -10.045 4.354 -1.519 90 1HG GLN 11 2HG GLN 11 -12.286 3.428 -0.916 91 2HG GLN 11 3HG GLN 11 -11.634 3.044 0.702 92 1HE2 GLN 11 1HE2 GLN 11 -12.587 4.503 2.080 93 2HE2 GLN 11 2HE2 GLN 11 -12.714 6.230 1.782 94 H VAL 12 H VAL 12 -11.443 1.126 -3.049 95 HA VAL 12 HA VAL 12 -9.903 2.111 -5.371 96 HB VAL 12 HB VAL 12 -9.576 -0.290 -5.066 97 1HG1 VAL 12 1HG1 VAL 12 -12.587 -0.614 -5.410 98 2HG1 VAL 12 2HG1 VAL 12 -11.391 -1.900 -5.243 99 3HG1 VAL 12 3HG1 VAL 12 -11.738 -0.842 -3.865 100 1HG2 VAL 12 1HG2 VAL 12 -10.334 -1.016 -7.269 101 2HG2 VAL 12 2HG2 VAL 12 -11.472 0.337 -7.352 102 3HG2 VAL 12 3HG2 VAL 12 -9.719 0.654 -7.337 103 H SER 13 H SER 13 -11.083 3.028 -6.984 104 HA SER 13 HA SER 13 -13.949 3.642 -6.406 105 1HB SER 13 2HB SER 13 -12.057 4.962 -8.348 106 2HB SER 13 3HB SER 13 -13.631 5.558 -7.814 107 HG SER 13 HG SER 13 -11.378 5.172 -6.116 108 H GLY 14 H GLY 14 -15.307 3.846 -8.346 109 1HA GLY 14 2HA GLY 14 -15.999 3.225 -10.507 110 2HA GLY 14 3HA GLY 14 -14.611 2.142 -10.687 111 H MET 15 H MET 15 -15.676 1.642 -7.588 112 HA MET 15 HA MET 15 -16.941 -0.886 -8.249 113 1HB MET 15 2HB MET 15 -16.282 0.572 -5.703 114 2HB MET 15 3HB MET 15 -17.606 -0.593 -5.661 115 1HG MET 15 2HG MET 15 -16.053 -2.264 -6.804 116 2HG MET 15 3HG MET 15 -14.735 -1.181 -6.343 117 1HE MET 15 1HE MET 15 -15.812 -0.187 -3.379 118 2HE MET 15 2HE MET 15 -15.001 -1.460 -2.419 119 3HE MET 15 3HE MET 15 -14.152 -0.689 -3.767 120 H THR 16 H THR 16 -18.795 -0.712 -9.446 121 HA THR 16 HA THR 16 -21.059 0.833 -8.669 122 HB THR 16 HB THR 16 -20.981 -1.810 -10.172 123 HG1 THR 16 1HG THR 16 -20.532 -0.529 -11.942 124 1HG2 THR 16 1HG2 THR 16 -22.919 -0.833 -11.411 125 2HG2 THR 16 2HG2 THR 16 -23.293 -1.122 -9.707 126 3HG2 THR 16 3HG2 THR 16 -22.938 0.527 -10.270 127 H CYS 17 H CYS 17 -19.622 -1.944 -7.208 128 HA CYS 17 HA CYS 17 -19.980 -2.756 -5.116 129 1HB CYS 17 2HB CYS 17 -22.249 -0.713 -4.911 130 2HB CYS 17 3HB CYS 17 -21.756 -1.805 -3.630 131 HG CYS 17 HG CYS 17 -19.905 0.415 -5.179 132 H ALA 18 H ALA 18 -20.513 -4.288 -7.014 133 HA ALA 18 HA ALA 18 -22.303 -6.230 -6.071 134 1HB ALA 18 1HB ALA 18 -23.320 -4.671 -8.506 135 2HB ALA 18 2HB ALA 18 -23.953 -6.251 -7.969 136 3HB ALA 18 3HB ALA 18 -24.135 -4.833 -6.945 137 H ALA 19 H ALA 19 -22.458 -6.360 -9.421 138 HA ALA 19 HA ALA 19 -20.646 -8.410 -9.784 139 1HB ALA 19 1HB ALA 19 -22.446 -7.829 -11.358 140 2HB ALA 19 2HB ALA 19 -21.573 -6.350 -11.827 141 3HB ALA 19 3HB ALA 19 -20.881 -7.946 -12.185 142 H CYS 20 H CYS 20 -19.918 -4.895 -9.736 143 HA CYS 20 HA CYS 20 -17.558 -5.034 -11.330 144 1HB CYS 20 2HB CYS 20 -18.833 -3.091 -9.377 145 2HB CYS 20 3HB CYS 20 -17.157 -2.832 -9.855 146 HG CYS 20 HG CYS 20 -17.471 -2.754 -12.371 147 H ALA 21 H ALA 21 -18.063 -4.757 -7.832 148 HA ALA 21 HA ALA 21 -15.404 -5.097 -6.961 149 1HB ALA 21 1HB ALA 21 -17.910 -6.040 -5.484 150 2HB ALA 21 2HB ALA 21 -16.408 -5.374 -4.811 151 3HB ALA 21 3HB ALA 21 -17.518 -4.325 -5.682 152 H ALA 22 H ALA 22 -18.069 -7.484 -7.326 153 HA ALA 22 HA ALA 22 -16.582 -9.774 -6.606 154 1HB ALA 22 1HB ALA 22 -18.897 -9.557 -8.583 155 2HB ALA 22 2HB ALA 22 -18.349 -11.036 -7.768 156 3HB ALA 22 3HB ALA 22 -19.050 -9.710 -6.818 157 H ARG 23 H ARG 23 -16.805 -8.136 -9.818 158 HA ARG 23 HA ARG 23 -15.492 -10.219 -11.255 159 1HB ARG 23 2HB ARG 23 -16.192 -7.326 -11.741 160 2HB ARG 23 3HB ARG 23 -14.842 -7.952 -12.660 161 1HG ARG 23 2HG ARG 23 -17.603 -9.237 -12.588 162 2HG ARG 23 3HG ARG 23 -16.966 -8.165 -13.846 163 1HD ARG 23 2HD ARG 23 -14.926 -10.010 -13.634 164 2HD ARG 23 3HD ARG 23 -16.323 -11.035 -13.281 165 HE ARG 23 HE ARG 23 -17.000 -9.493 -15.544 166 1HH1 ARG 23 2HH2 ARG 23 -14.593 -11.924 -14.731 167 2HH1 ARG 23 1HH2 ARG 23 -14.420 -12.539 -16.349 168 1HH2 ARG 23 2HH1 ARG 23 -16.749 -10.218 -17.723 169 2HH2 ARG 23 1HH1 ARG 23 -15.677 -11.523 -18.096 170 H ILE 24 H ILE 24 -14.297 -7.334 -9.436 171 HA ILE 24 HA ILE 24 -11.580 -7.737 -10.236 172 HB ILE 24 HB ILE 24 -12.712 -6.436 -7.733 173 1HG1 ILE 24 2HG1 ILE 24 -11.522 -5.076 -10.190 174 2HG1 ILE 24 3HG1 ILE 24 -13.236 -5.476 -10.199 175 1HG2 ILE 24 1HG2 ILE 24 -10.421 -7.134 -7.434 176 2HG2 ILE 24 2HG2 ILE 24 -9.959 -6.342 -8.960 177 3HG2 ILE 24 3HG2 ILE 24 -10.525 -5.381 -7.568 178 1HD1 ILE 24 1HD1 ILE 24 -12.485 -3.140 -9.434 179 2HD1 ILE 24 2HD1 ILE 24 -13.789 -3.965 -8.546 180 3HD1 ILE 24 3HD1 ILE 24 -12.136 -3.887 -7.878 181 H GLU 25 H GLU 25 -13.302 -8.669 -7.139 182 HA GLU 25 HA GLU 25 -11.104 -10.082 -6.179 183 1HB GLU 25 2HB GLU 25 -14.026 -10.732 -5.612 184 2HB GLU 25 3HB GLU 25 -12.625 -11.090 -4.594 185 1HG GLU 25 2HG GLU 25 -13.837 -8.380 -5.193 186 2HG GLU 25 3HG GLU 25 -13.613 -9.182 -3.647 187 H LYS 26 H LYS 26 -13.736 -11.357 -8.257 188 HA LYS 26 HA LYS 26 -12.828 -14.039 -8.230 189 1HB LYS 26 2HB LYS 26 -15.086 -13.112 -9.042 190 2HB LYS 26 3HB LYS 26 -14.244 -12.768 -10.573 191 1HG LYS 26 2HG LYS 26 -13.405 -15.238 -10.293 192 2HG LYS 26 3HG LYS 26 -14.720 -15.417 -9.136 193 1HD LYS 26 2HD LYS 26 -14.943 -14.678 -12.091 194 2HD LYS 26 3HD LYS 26 -15.367 -16.230 -11.346 195 1HE LYS 26 2HE LYS 26 -17.105 -15.013 -9.946 196 2HE LYS 26 3HE LYS 26 -16.755 -13.542 -10.869 197 1HZ LYS 26 1HZ LYS 26 -17.435 -14.743 -12.862 198 2HZ LYS 26 2HZ LYS 26 -17.795 -16.075 -11.967 199 3HZ LYS 26 3HZ LYS 26 -18.644 -14.687 -11.751 200 H GLY 27 H GLY 27 -12.072 -11.244 -10.365 201 1HA GLY 27 2HA GLY 27 -10.383 -12.565 -12.229 202 2HA GLY 27 3HA GLY 27 -10.352 -10.847 -11.788 203 H LEU 28 H LEU 28 -9.716 -11.001 -9.066 204 HA LEU 28 HA LEU 28 -6.877 -11.468 -9.202 205 1HB LEU 28 2HB LEU 28 -8.825 -10.489 -7.111 206 2HB LEU 28 3HB LEU 28 -7.218 -10.988 -6.600 207 HG LEU 28 HG LEU 28 -7.443 -8.488 -7.097 208 1HD1 LEU 28 1HD1 LEU 28 -5.374 -9.923 -8.810 209 2HD1 LEU 28 2HD1 LEU 28 -5.319 -8.295 -8.123 210 3HD1 LEU 28 3HD1 LEU 28 -5.266 -9.713 -7.053 211 1HD2 LEU 28 1HD2 LEU 28 -7.447 -7.630 -9.233 212 2HD2 LEU 28 2HD2 LEU 28 -7.505 -9.242 -10.007 213 3HD2 LEU 28 3HD2 LEU 28 -8.879 -8.615 -9.071 214 H LYS 29 H LYS 29 -9.586 -13.310 -7.750 215 HA LYS 29 HA LYS 29 -8.005 -15.355 -6.603 216 1HB LYS 29 2HB LYS 29 -10.851 -15.032 -7.303 217 2HB LYS 29 3HB LYS 29 -10.281 -16.664 -7.612 218 1HG LYS 29 2HG LYS 29 -11.041 -16.725 -5.387 219 2HG LYS 29 3HG LYS 29 -9.285 -16.721 -5.297 220 1HD LYS 29 2HD LYS 29 -9.555 -15.001 -3.796 221 2HD LYS 29 3HD LYS 29 -9.776 -14.025 -5.239 222 1HE LYS 29 2HE LYS 29 -11.665 -13.416 -4.048 223 2HE LYS 29 3HE LYS 29 -12.329 -14.716 -5.029 224 1HZ LYS 29 1HZ LYS 29 -11.410 -14.896 -2.216 225 2HZ LYS 29 2HZ LYS 29 -12.946 -14.883 -2.692 226 3HZ LYS 29 3HZ LYS 29 -11.976 -16.171 -3.054 227 H ARG 30 H ARG 30 -8.325 -14.629 -9.985 228 HA ARG 30 HA ARG 30 -7.741 -17.218 -11.016 229 1HB ARG 30 2HB ARG 30 -8.324 -14.856 -12.161 230 2HB ARG 30 3HB ARG 30 -6.570 -14.731 -12.245 231 1HG ARG 30 2HG ARG 30 -7.110 -15.700 -14.284 232 2HG ARG 30 3HG ARG 30 -6.748 -17.146 -13.332 233 1HD ARG 30 2HD ARG 30 -9.177 -17.425 -12.841 234 2HD ARG 30 3HD ARG 30 -9.569 -15.981 -13.758 235 HE ARG 30 HE ARG 30 -9.019 -18.653 -14.736 236 1HH1 ARG 30 2HH2 ARG 30 -8.755 -15.273 -15.643 237 2HH1 ARG 30 1HH2 ARG 30 -8.995 -15.523 -17.349 238 1HH2 ARG 30 2HH1 ARG 30 -9.375 -19.050 -16.992 239 2HH2 ARG 30 1HH1 ARG 30 -9.346 -17.743 -18.126 240 H MET 31 H MET 31 -5.732 -14.862 -9.284 241 HA MET 31 HA MET 31 -3.217 -15.950 -10.280 242 1HB MET 31 2HB MET 31 -4.006 -13.841 -8.247 243 2HB MET 31 3HB MET 31 -2.322 -14.318 -8.468 244 1HG MET 31 2HG MET 31 -3.975 -13.627 -10.898 245 2HG MET 31 3HG MET 31 -3.342 -12.334 -9.896 246 1HE MET 31 1HE MET 31 -2.768 -13.479 -13.109 247 2HE MET 31 2HE MET 31 -2.376 -11.831 -12.540 248 3HE MET 31 3HE MET 31 -1.111 -12.854 -13.270 249 HA PRO 32 HA PRO 32 -2.874 -19.117 -7.250 250 1HB PRO 32 2HB PRO 32 -0.178 -19.540 -7.093 251 2HB PRO 32 3HB PRO 32 -1.145 -19.932 -8.541 252 1HG PRO 32 2HG PRO 32 0.514 -17.449 -8.048 253 2HG PRO 32 3HG PRO 32 0.499 -18.485 -9.498 254 1HD PRO 32 2HD PRO 32 -0.964 -16.185 -9.374 255 2HD PRO 32 3HD PRO 32 -1.596 -17.639 -10.203 256 H GLY 33 H GLY 33 -0.674 -16.274 -6.641 257 1HA GLY 33 2HA GLY 33 -0.122 -16.958 -3.945 258 2HA GLY 33 3HA GLY 33 0.062 -15.362 -4.692 259 H VAL 34 H VAL 34 -2.800 -15.277 -5.507 260 HA VAL 34 HA VAL 34 -3.931 -13.908 -3.270 261 HB VAL 34 HB VAL 34 -5.114 -14.902 -5.866 262 1HG1 VAL 34 1HG1 VAL 34 -6.957 -14.858 -4.289 263 2HG1 VAL 34 2HG1 VAL 34 -6.391 -13.319 -3.600 264 3HG1 VAL 34 3HG1 VAL 34 -7.033 -13.384 -5.258 265 1HG2 VAL 34 1HG2 VAL 34 -3.458 -13.018 -5.964 266 2HG2 VAL 34 2HG2 VAL 34 -5.088 -12.463 -6.364 267 3HG2 VAL 34 3HG2 VAL 34 -4.416 -12.130 -4.764 268 H THR 35 H THR 35 -4.174 -14.843 -1.424 269 HA THR 35 HA THR 35 -4.901 -17.675 -1.221 270 HB THR 35 HB THR 35 -4.421 -15.545 0.893 271 HG1 THR 35 1HG THR 35 -2.650 -16.369 -0.637 272 1HG2 THR 35 1HG2 THR 35 -4.080 -17.509 2.399 273 2HG2 THR 35 2HG2 THR 35 -5.749 -17.371 1.830 274 3HG2 THR 35 3HG2 THR 35 -4.661 -18.576 1.106 275 H ASP 36 H ASP 36 -6.144 -14.368 -0.357 276 HA ASP 36 HA ASP 36 -8.646 -15.281 -1.336 277 1HB ASP 36 2HB ASP 36 -8.804 -15.909 1.135 278 2HB ASP 36 3HB ASP 36 -8.689 -14.188 1.513 279 H ALA 37 H ALA 37 -10.109 -13.405 -1.551 280 HA ALA 37 HA ALA 37 -8.786 -10.778 -1.620 281 1HB ALA 37 1HB ALA 37 -8.196 -11.791 -3.821 282 2HB ALA 37 2HB ALA 37 -9.923 -11.981 -4.177 283 3HB ALA 37 3HB ALA 37 -9.222 -10.370 -3.975 284 H ASN 38 H ASN 38 -10.268 -9.482 -0.629 285 HA ASN 38 HA ASN 38 -13.152 -10.108 -0.994 286 1HB ASN 38 2HB ASN 38 -11.866 -9.417 1.665 287 2HB ASN 38 3HB ASN 38 -13.574 -9.748 1.366 288 1HD2 ASN 38 1HD2 ASN 38 -12.598 -12.230 -0.409 289 2HD2 ASN 38 2HD2 ASN 38 -12.231 -13.378 0.890 290 H VAL 39 H VAL 39 -14.464 -8.219 -0.367 291 HA VAL 39 HA VAL 39 -13.118 -5.611 -0.398 292 HB VAL 39 HB VAL 39 -13.103 -6.309 -2.733 293 1HG1 VAL 39 1HG1 VAL 39 -15.013 -6.844 -4.014 294 2HG1 VAL 39 2HG1 VAL 39 -15.135 -7.878 -2.593 295 3HG1 VAL 39 3HG1 VAL 39 -16.143 -6.431 -2.711 296 1HG2 VAL 39 1HG2 VAL 39 -15.261 -4.218 -2.325 297 2HG2 VAL 39 2HG2 VAL 39 -13.530 -3.910 -2.105 298 3HG2 VAL 39 3HG2 VAL 39 -14.128 -4.409 -3.693 299 H ASN 40 H ASN 40 -14.065 -4.450 1.038 300 HA ASN 40 HA ASN 40 -16.797 -5.186 1.940 301 1HB ASN 40 2HB ASN 40 -15.050 -4.673 3.599 302 2HB ASN 40 3HB ASN 40 -14.900 -3.033 2.946 303 1HD2 ASN 40 1HD2 ASN 40 -15.784 -3.888 5.666 304 2HD2 ASN 40 2HD2 ASN 40 -17.414 -3.264 5.848 305 H LEU 41 H LEU 41 -17.866 -4.699 0.004 306 HA LEU 41 HA LEU 41 -17.707 -2.105 -1.260 307 1HB LEU 41 2HB LEU 41 -19.509 -2.873 -2.663 308 2HB LEU 41 3HB LEU 41 -18.244 -4.083 -2.508 309 HG LEU 41 HG LEU 41 -19.984 -4.882 -0.538 310 1HD1 LEU 41 1HD1 LEU 41 -21.745 -3.897 -2.813 311 2HD1 LEU 41 2HD1 LEU 41 -22.267 -4.770 -1.365 312 3HD1 LEU 41 3HD1 LEU 41 -21.665 -3.111 -1.224 313 1HD2 LEU 41 1HD2 LEU 41 -20.765 -6.578 -2.191 314 2HD2 LEU 41 2HD2 LEU 41 -20.086 -5.589 -3.506 315 3HD2 LEU 41 3HD2 LEU 41 -19.014 -6.320 -2.289 316 H ALA 42 H ALA 42 -18.975 -2.828 1.762 317 HA ALA 42 HA ALA 42 -21.227 -0.919 1.570 318 1HB ALA 42 1HB ALA 42 -21.426 -2.893 3.053 319 2HB ALA 42 2HB ALA 42 -20.067 -2.291 4.024 320 3HB ALA 42 3HB ALA 42 -21.555 -1.345 3.908 321 H THR 43 H THR 43 -17.840 -1.181 2.729 322 HA THR 43 HA THR 43 -17.851 1.733 3.397 323 HB THR 43 HB THR 43 -15.886 1.226 4.707 324 HG1 THR 43 1HG THR 43 -15.191 -0.919 4.878 325 1HG2 THR 43 1HG2 THR 43 -18.054 -0.866 5.264 326 2HG2 THR 43 2HG2 THR 43 -16.962 -0.113 6.436 327 3HG2 THR 43 3HG2 THR 43 -18.219 0.856 5.640 328 H GLU 44 H GLU 44 -16.857 -0.351 0.927 329 HA GLU 44 HA GLU 44 -15.896 -0.056 -0.998 330 1HB GLU 44 2HB GLU 44 -15.523 2.877 -0.299 331 2HB GLU 44 3HB GLU 44 -15.173 2.144 -1.862 332 1HG GLU 44 2HG GLU 44 -17.518 1.420 -2.102 333 2HG GLU 44 3HG GLU 44 -17.917 2.161 -0.541 334 H THR 45 H THR 45 -14.361 -1.311 0.988 335 HA THR 45 HA THR 45 -11.607 -0.320 0.416 336 HB THR 45 HB THR 45 -12.954 -1.355 2.916 337 HG1 THR 45 1HG THR 45 -11.141 0.820 2.505 338 1HG2 THR 45 1HG2 THR 45 -10.973 -2.715 2.812 339 2HG2 THR 45 2HG2 THR 45 -10.042 -1.332 2.181 340 3HG2 THR 45 3HG2 THR 45 -10.636 -1.335 3.869 341 H VAL 46 H VAL 46 -10.667 -1.662 -0.992 342 HA VAL 46 HA VAL 46 -11.523 -4.486 -1.229 343 HB VAL 46 HB VAL 46 -11.287 -3.361 -3.318 344 1HG1 VAL 46 1HG1 VAL 46 -9.733 -1.536 -2.899 345 2HG1 VAL 46 2HG1 VAL 46 -8.418 -2.670 -2.516 346 3HG1 VAL 46 3HG1 VAL 46 -9.070 -2.574 -4.157 347 1HG2 VAL 46 1HG2 VAL 46 -9.763 -4.879 -4.401 348 2HG2 VAL 46 2HG2 VAL 46 -8.870 -5.130 -2.889 349 3HG2 VAL 46 3HG2 VAL 46 -10.537 -5.737 -3.054 350 H ASN 47 H ASN 47 -10.385 -6.071 -0.278 351 HA ASN 47 HA ASN 47 -7.860 -5.383 1.067 352 1HB ASN 47 2HB ASN 47 -8.684 -6.509 3.102 353 2HB ASN 47 3HB ASN 47 -9.454 -4.964 2.737 354 1HD2 ASN 47 1HD2 ASN 47 -11.713 -5.075 1.633 355 2HD2 ASN 47 2HD2 ASN 47 -12.695 -6.425 2.183 356 H VAL 48 H VAL 48 -6.463 -6.670 0.102 357 HA VAL 48 HA VAL 48 -7.383 -9.336 -0.891 358 HB VAL 48 HB VAL 48 -5.030 -7.755 -1.954 359 1HG1 VAL 48 1HG1 VAL 48 -5.346 -10.265 -2.463 360 2HG1 VAL 48 2HG1 VAL 48 -6.819 -9.802 -3.325 361 3HG1 VAL 48 3HG1 VAL 48 -5.247 -9.194 -3.871 362 1HG2 VAL 48 1HG2 VAL 48 -6.910 -6.265 -2.297 363 2HG2 VAL 48 2HG2 VAL 48 -6.564 -7.061 -3.835 364 3HG2 VAL 48 3HG2 VAL 48 -7.941 -7.607 -2.854 365 H ILE 49 H ILE 49 -6.306 -11.152 -0.162 366 HA ILE 49 HA ILE 49 -3.919 -10.732 1.502 367 HB ILE 49 HB ILE 49 -5.951 -12.979 1.707 368 1HG1 ILE 49 2HG1 ILE 49 -5.424 -10.602 3.534 369 2HG1 ILE 49 3HG1 ILE 49 -6.849 -10.826 2.512 370 1HG2 ILE 49 1HG2 ILE 49 -3.508 -12.353 3.446 371 2HG2 ILE 49 2HG2 ILE 49 -4.623 -13.712 3.658 372 3HG2 ILE 49 3HG2 ILE 49 -3.565 -13.664 2.265 373 1HD1 ILE 49 1HD1 ILE 49 -7.456 -11.399 4.740 374 2HD1 ILE 49 2HD1 ILE 49 -7.410 -12.897 3.789 375 3HD1 ILE 49 3HD1 ILE 49 -6.087 -12.505 4.920 376 H TYR 50 H TYR 50 -2.058 -11.628 0.639 377 HA TYR 50 HA TYR 50 -2.308 -14.053 -0.954 378 1HB TYR 50 2HB TYR 50 -1.181 -13.056 -2.989 379 2HB TYR 50 3HB TYR 50 -2.755 -12.333 -2.681 380 HD1 TYR 50 HD1 TYR 50 -3.091 -10.090 -2.210 381 HD2 TYR 50 HD2 TYR 50 0.900 -11.682 -2.423 382 HE1 TYR 50 HE1 TYR 50 -2.185 -7.836 -2.125 383 HE2 TYR 50 HE2 TYR 50 1.826 -9.408 -2.067 384 HH TYR 50 HH TYR 50 -0.286 -6.564 -1.614 385 H ASP 51 H ASP 51 -0.213 -14.785 -1.823 386 HA ASP 51 HA ASP 51 1.736 -14.660 0.300 387 1HB ASP 51 2HB ASP 51 1.134 -16.740 -0.975 388 2HB ASP 51 3HB ASP 51 1.975 -16.075 -2.386 389 HA PRO 52 HA PRO 52 3.764 -11.251 -1.833 390 1HB PRO 52 2HB PRO 52 5.605 -10.525 0.028 391 2HB PRO 52 3HB PRO 52 3.855 -10.402 0.345 392 1HG PRO 52 2HG PRO 52 5.690 -12.692 1.127 393 2HG PRO 52 3HG PRO 52 4.608 -11.762 2.207 394 1HD PRO 52 2HD PRO 52 3.862 -14.132 1.075 395 2HD PRO 52 3HD PRO 52 2.685 -12.808 1.310 396 H ALA 53 H ALA 53 4.518 -14.035 -2.510 397 HA ALA 53 HA ALA 53 7.208 -13.491 -3.623 398 1HB ALA 53 1HB ALA 53 8.205 -15.511 -2.708 399 2HB ALA 53 2HB ALA 53 7.652 -14.472 -1.382 400 3HB ALA 53 3HB ALA 53 6.711 -15.909 -1.846 401 H GLU 54 H GLU 54 4.174 -14.468 -4.302 402 HA GLU 54 HA GLU 54 5.106 -16.143 -6.588 403 1HB GLU 54 2HB GLU 54 2.393 -16.013 -5.179 404 2HB GLU 54 3HB GLU 54 2.712 -16.813 -6.728 405 1HG GLU 54 2HG GLU 54 4.484 -18.201 -5.510 406 2HG GLU 54 3HG GLU 54 3.795 -17.578 -3.997 407 H THR 55 H THR 55 2.993 -13.428 -5.465 408 HA THR 55 HA THR 55 2.218 -12.898 -8.288 409 HB THR 55 HB THR 55 0.811 -12.769 -5.611 410 HG1 THR 55 1HG THR 55 1.123 -14.770 -6.894 411 1HG2 THR 55 1HG2 THR 55 -0.272 -11.944 -8.332 412 2HG2 THR 55 2HG2 THR 55 -1.166 -12.113 -6.791 413 3HG2 THR 55 3HG2 THR 55 0.096 -10.876 -6.943 414 H GLY 56 H GLY 56 1.652 -10.725 -5.480 415 1HA GLY 56 2HA GLY 56 3.491 -9.296 -4.714 416 2HA GLY 56 3HA GLY 56 3.928 -9.000 -6.400 417 H THR 57 H THR 57 2.575 -7.544 -3.960 418 HA THR 57 HA THR 57 0.286 -6.288 -4.292 419 HB THR 57 HB THR 57 1.958 -5.643 -2.648 420 HG1 THR 57 1HG THR 57 1.472 -3.308 -2.843 421 1HG2 THR 57 1HG2 THR 57 3.201 -3.791 -4.690 422 2HG2 THR 57 2HG2 THR 57 3.707 -4.149 -3.034 423 3HG2 THR 57 3HG2 THR 57 3.845 -5.407 -4.283 424 H ALA 58 H ALA 58 3.043 -5.442 -6.400 425 HA ALA 58 HA ALA 58 1.765 -3.346 -7.799 426 1HB ALA 58 1HB ALA 58 3.993 -5.209 -8.738 427 2HB ALA 58 2HB ALA 58 3.555 -3.650 -9.471 428 3HB ALA 58 3HB ALA 58 4.199 -3.699 -7.819 429 H ALA 59 H ALA 59 1.786 -6.887 -8.386 430 HA ALA 59 HA ALA 59 0.483 -6.726 -10.965 431 1HB ALA 59 1HB ALA 59 0.133 -9.078 -10.696 432 2HB ALA 59 2HB ALA 59 1.814 -8.655 -10.271 433 3HB ALA 59 3HB ALA 59 0.625 -9.005 -8.987 434 H ILE 60 H ILE 60 -0.506 -6.909 -7.554 435 HA ILE 60 HA ILE 60 -3.256 -7.558 -8.019 436 HB ILE 60 HB ILE 60 -2.213 -5.894 -5.695 437 1HG1 ILE 60 2HG1 ILE 60 -0.728 -7.796 -5.776 438 2HG1 ILE 60 3HG1 ILE 60 -1.847 -7.918 -4.447 439 1HG2 ILE 60 1HG2 ILE 60 -4.636 -6.067 -5.813 440 2HG2 ILE 60 2HG2 ILE 60 -4.521 -7.835 -5.874 441 3HG2 ILE 60 3HG2 ILE 60 -3.980 -6.967 -4.430 442 1HD1 ILE 60 1HD1 ILE 60 -2.018 -9.466 -7.053 443 2HD1 ILE 60 2HD1 ILE 60 -1.493 -10.066 -5.461 444 3HD1 ILE 60 3HD1 ILE 60 -3.177 -9.602 -5.704 445 H GLN 61 H GLN 61 -1.574 -4.434 -7.407 446 HA GLN 61 HA GLN 61 -3.907 -2.877 -7.950 447 1HB GLN 61 2HB GLN 61 -2.690 -0.992 -7.688 448 2HB GLN 61 3HB GLN 61 -1.777 -2.152 -6.714 449 1HG GLN 61 2HG GLN 61 -0.126 -2.352 -8.544 450 2HG GLN 61 3HG GLN 61 -1.015 -1.163 -9.505 451 1HE2 GLN 61 1HE2 GLN 61 -1.465 0.965 -8.126 452 2HE2 GLN 61 2HE2 GLN 61 -0.059 1.513 -7.231 453 H GLU 62 H GLU 62 -1.316 -4.143 -10.100 454 HA GLU 62 HA GLU 62 -2.092 -2.763 -12.448 455 1HB GLU 62 2HB GLU 62 -0.013 -4.047 -12.241 456 2HB GLU 62 3HB GLU 62 -0.949 -5.544 -12.058 457 1HG GLU 62 2HG GLU 62 -0.016 -5.428 -14.265 458 2HG GLU 62 3HG GLU 62 -1.778 -5.345 -14.352 459 H LYS 63 H LYS 63 -3.445 -5.802 -10.901 460 HA LYS 63 HA LYS 63 -5.073 -6.360 -13.169 461 1HB LYS 63 2HB LYS 63 -4.720 -7.375 -10.390 462 2HB LYS 63 3HB LYS 63 -6.334 -7.544 -11.046 463 1HG LYS 63 2HG LYS 63 -3.886 -8.499 -12.579 464 2HG LYS 63 3HG LYS 63 -4.720 -9.475 -11.368 465 1HD LYS 63 2HD LYS 63 -6.053 -10.204 -12.996 466 2HD LYS 63 3HD LYS 63 -6.879 -8.655 -12.839 467 1HE LYS 63 2HE LYS 63 -5.307 -7.768 -14.694 468 2HE LYS 63 3HE LYS 63 -4.725 -9.420 -14.864 469 1HZ LYS 63 1HZ LYS 63 -7.008 -10.042 -15.405 470 2HZ LYS 63 2HZ LYS 63 -7.505 -8.481 -15.212 471 3HZ LYS 63 3HZ LYS 63 -6.468 -8.868 -16.424 472 H ILE 64 H ILE 64 -5.671 -4.636 -10.093 473 HA ILE 64 HA ILE 64 -8.404 -4.024 -10.529 474 HB ILE 64 HB ILE 64 -6.189 -2.475 -9.125 475 1HG1 ILE 64 2HG1 ILE 64 -8.510 -4.129 -8.028 476 2HG1 ILE 64 3HG1 ILE 64 -6.885 -4.777 -8.264 477 1HG2 ILE 64 1HG2 ILE 64 -9.188 -1.983 -9.100 478 2HG2 ILE 64 2HG2 ILE 64 -8.010 -1.184 -8.037 479 3HG2 ILE 64 3HG2 ILE 64 -7.956 -0.881 -9.763 480 1HD1 ILE 64 1HD1 ILE 64 -5.977 -3.063 -6.700 481 2HD1 ILE 64 2HD1 ILE 64 -7.640 -2.540 -6.347 482 3HD1 ILE 64 3HD1 ILE 64 -7.132 -4.186 -5.959 483 H GLU 65 H GLU 65 -5.454 -2.227 -11.630 484 HA GLU 65 HA GLU 65 -7.052 -0.257 -13.000 485 1HB GLU 65 2HB GLU 65 -4.117 -1.003 -13.320 486 2HB GLU 65 3HB GLU 65 -4.931 0.324 -14.156 487 1HG GLU 65 2HG GLU 65 -5.777 0.883 -11.622 488 2HG GLU 65 3HG GLU 65 -4.294 0.020 -11.209 489 H LYS 66 H LYS 66 -5.469 -3.211 -14.254 490 HA LYS 66 HA LYS 66 -6.265 -2.937 -16.936 491 1HB LYS 66 2HB LYS 66 -5.917 -5.436 -15.292 492 2HB LYS 66 3HB LYS 66 -6.174 -5.400 -17.044 493 1HG LYS 66 2HG LYS 66 -4.072 -3.504 -16.497 494 2HG LYS 66 3HG LYS 66 -3.758 -4.916 -15.529 495 1HD LYS 66 2HD LYS 66 -4.142 -6.301 -17.689 496 2HD LYS 66 3HD LYS 66 -4.090 -4.722 -18.525 497 1HE LYS 66 2HE LYS 66 -1.813 -4.319 -17.626 498 2HE LYS 66 3HE LYS 66 -1.879 -5.836 -16.713 499 1HZ LYS 66 1HZ LYS 66 -0.624 -6.086 -18.676 500 2HZ LYS 66 2HZ LYS 66 -1.992 -6.983 -18.850 501 3HZ LYS 66 3HZ LYS 66 -1.839 -5.539 -19.637 502 H LEU 67 H LEU 67 -8.143 -4.095 -14.093 503 HA LEU 67 HA LEU 67 -10.390 -5.005 -15.648 504 1HB LEU 67 2HB LEU 67 -9.700 -4.662 -12.785 505 2HB LEU 67 3HB LEU 67 -11.390 -4.532 -13.163 506 HG LEU 67 HG LEU 67 -10.259 -6.839 -14.580 507 1HD1 LEU 67 1HD1 LEU 67 -9.981 -8.208 -12.521 508 2HD1 LEU 67 2HD1 LEU 67 -8.722 -6.994 -12.812 509 3HD1 LEU 67 3HD1 LEU 67 -9.964 -6.697 -11.575 510 1HD2 LEU 67 1HD2 LEU 67 -12.459 -6.536 -12.489 511 2HD2 LEU 67 2HD2 LEU 67 -12.672 -6.365 -14.247 512 3HD2 LEU 67 3HD2 LEU 67 -12.197 -7.930 -13.556 513 H GLY 68 H GLY 68 -9.250 -1.833 -15.074 514 1HA GLY 68 2HA GLY 68 -10.121 0.044 -16.074 515 2HA GLY 68 3HA GLY 68 -11.699 -0.726 -16.273 516 H TYR 69 H TYR 69 -9.670 -0.353 -13.354 517 HA TYR 69 HA TYR 69 -11.695 1.462 -12.090 518 1HB TYR 69 2HB TYR 69 -10.193 -0.865 -10.852 519 2HB TYR 69 3HB TYR 69 -11.169 0.284 -9.949 520 HD1 TYR 69 HD1 TYR 69 -13.532 -0.075 -9.691 521 HD2 TYR 69 HD2 TYR 69 -11.295 -2.318 -12.591 522 HE1 TYR 69 HE1 TYR 69 -15.511 -1.456 -10.142 523 HE2 TYR 69 HE2 TYR 69 -13.356 -3.611 -13.164 524 HH TYR 69 HH TYR 69 -15.370 -4.229 -12.417 525 H HIS 70 H HIS 70 -10.539 2.413 -9.977 526 HA HIS 70 HA HIS 70 -7.676 2.860 -10.468 527 1HB HIS 70 2HB HIS 70 -9.471 4.711 -11.507 528 2HB HIS 70 3HB HIS 70 -9.161 5.378 -9.914 529 HD1 HIS 70 1HD HIS 70 -6.631 3.760 -12.498 530 HD2 HIS 70 2HD HIS 70 -7.394 7.251 -10.235 531 HE1 HIS 70 1HE HIS 70 -4.786 5.393 -13.027 532 H VAL 71 H VAL 71 -6.538 3.215 -8.635 533 HA VAL 71 HA VAL 71 -7.957 2.727 -6.084 534 HB VAL 71 HB VAL 71 -5.700 2.227 -5.257 535 1HG1 VAL 71 1HG1 VAL 71 -5.433 0.107 -6.429 536 2HG1 VAL 71 2HG1 VAL 71 -7.150 0.457 -6.165 537 3HG1 VAL 71 3HG1 VAL 71 -6.430 0.689 -7.775 538 1HG2 VAL 71 1HG2 VAL 71 -4.726 2.498 -8.142 539 2HG2 VAL 71 2HG2 VAL 71 -4.362 3.659 -6.851 540 3HG2 VAL 71 3HG2 VAL 71 -3.792 1.991 -6.729 541 H VAL 72 H VAL 72 -7.933 4.130 -4.350 542 HA VAL 72 HA VAL 72 -7.554 6.943 -5.155 543 HB VAL 72 HB VAL 72 -8.565 5.714 -2.574 544 1HG1 VAL 72 1HG1 VAL 72 -7.960 8.145 -2.313 545 2HG1 VAL 72 2HG1 VAL 72 -8.933 8.523 -3.744 546 3HG1 VAL 72 3HG1 VAL 72 -9.706 7.912 -2.268 547 1HG2 VAL 72 1HG2 VAL 72 -9.999 5.000 -4.441 548 2HG2 VAL 72 2HG2 VAL 72 -10.835 6.210 -3.469 549 3HG2 VAL 72 3HG2 VAL 72 -10.098 6.683 -5.014 550 H THR 73 H THR 73 -5.144 6.133 -5.382 551 HA THR 73 HA THR 73 -3.728 6.252 -2.751 552 HB THR 73 HB THR 73 -2.791 4.722 -5.191 553 HG1 THR 73 1HG THR 73 -4.787 4.086 -3.300 554 1HG2 THR 73 1HG2 THR 73 -1.306 5.064 -3.145 555 2HG2 THR 73 2HG2 THR 73 -2.566 4.181 -2.217 556 3HG2 THR 73 3HG2 THR 73 -1.667 3.372 -3.514 557 H GLU 74 H GLU 74 -1.920 7.571 -2.560 558 HA GLU 74 HA GLU 74 -1.099 9.061 -4.997 559 1HB GLU 74 2HB GLU 74 -1.230 11.172 -3.785 560 2HB GLU 74 3HB GLU 74 -2.808 10.386 -3.917 561 1HG GLU 74 2HG GLU 74 -2.520 9.534 -1.564 562 2HG GLU 74 3HG GLU 74 -1.020 10.463 -1.447 563 H LYS 75 H LYS 75 0.865 9.707 -5.077 564 HA LYS 75 HA LYS 75 2.949 8.534 -3.386 565 1HB LYS 75 2HB LYS 75 4.468 9.149 -5.099 566 2HB LYS 75 3HB LYS 75 3.061 8.299 -5.741 567 1HG LYS 75 2HG LYS 75 2.106 10.558 -6.383 568 2HG LYS 75 3HG LYS 75 3.719 11.219 -6.062 569 1HD LYS 75 2HD LYS 75 4.733 9.676 -7.659 570 2HD LYS 75 3HD LYS 75 3.190 8.834 -7.896 571 1HE LYS 75 2HE LYS 75 2.187 10.951 -8.793 572 2HE LYS 75 3HE LYS 75 3.769 11.739 -8.659 573 1HZ LYS 75 1HZ LYS 75 4.628 10.121 -10.211 574 2HZ LYS 75 2HZ LYS 75 3.173 9.357 -10.295 575 3HZ LYS 75 3HZ LYS 75 3.330 10.890 -10.870 576 H ALA 76 H ALA 76 2.673 9.615 -1.462 577 HA ALA 76 HA ALA 76 3.062 12.604 -1.456 578 1HB ALA 76 1HB ALA 76 2.550 10.672 0.833 579 2HB ALA 76 2HB ALA 76 2.650 12.442 0.955 580 3HB ALA 76 3HB ALA 76 1.336 11.689 0.027 581 H GLU 77 H GLU 77 5.051 13.570 -0.632 582 HA GLU 77 HA GLU 77 7.276 11.628 -0.165 583 1HB GLU 77 2HB GLU 77 7.378 14.546 -0.930 584 2HB GLU 77 3HB GLU 77 8.669 13.633 -0.122 585 1HG GLU 77 2HG GLU 77 8.532 11.934 -2.035 586 2HG GLU 77 3HG GLU 77 7.714 13.228 -2.922 587 H PHE 78 H PHE 78 8.047 11.253 1.717 588 HA PHE 78 HA PHE 78 7.593 13.140 3.961 589 1HB PHE 78 2HB PHE 78 7.603 10.125 3.842 590 2HB PHE 78 3HB PHE 78 8.068 10.966 5.311 591 HD1 PHE 78 1HD PHE 78 5.279 11.142 2.743 592 HD2 PHE 78 2HD PHE 78 6.373 11.243 6.914 593 HE1 PHE 78 1HE PHE 78 2.903 11.393 3.368 594 HE2 PHE 78 2HE PHE 78 3.991 11.281 7.534 595 HZ PHE 78 HZ PHE 78 2.248 11.457 5.752 596 H ASP 79 H ASP 79 9.355 13.520 5.267 597 HA ASP 79 HA ASP 79 12.025 13.118 4.018 598 1HB ASP 79 2HB ASP 79 10.979 15.471 4.381 599 2HB ASP 79 3HB ASP 79 11.247 15.189 6.106 600 H ILE 80 H ILE 80 13.757 12.466 5.549 601 HA ILE 80 HA ILE 80 12.625 10.906 7.874 602 HB ILE 80 HB ILE 80 14.931 10.100 6.105 603 1HG1 ILE 80 2HG1 ILE 80 12.112 8.999 5.833 604 2HG1 ILE 80 3HG1 ILE 80 12.709 10.287 4.777 605 1HG2 ILE 80 1HG2 ILE 80 14.565 7.918 7.158 606 2HG2 ILE 80 2HG2 ILE 80 14.687 9.140 8.419 607 3HG2 ILE 80 3HG2 ILE 80 13.098 8.522 7.960 608 1HD1 ILE 80 1HD1 ILE 80 13.036 8.198 3.719 609 2HD1 ILE 80 2HD1 ILE 80 14.583 8.994 4.063 610 3HD1 ILE 80 3HD1 ILE 80 14.054 7.615 5.052 611 H GLU 81 H GLU 81 13.417 11.683 9.847 612 HA GLU 81 HA GLU 81 16.269 12.664 9.898 613 1HB GLU 81 2HB GLU 81 13.830 13.247 11.474 614 2HB GLU 81 3HB GLU 81 15.387 13.065 12.343 615 1HG GLU 81 2HG GLU 81 15.934 15.106 11.888 616 2HG GLU 81 3HG GLU 81 15.795 14.844 10.134 617 H GLY 82 H GLY 82 16.733 10.542 9.334 618 1HA GLY 82 2HA GLY 82 16.985 8.615 11.548 619 2HA GLY 82 3HA GLY 82 15.751 8.178 10.348 620 H MET 83 H MET 83 16.838 8.824 7.890 621 HA MET 83 HA MET 83 18.475 6.814 7.212 622 1HB MET 83 2HB MET 83 17.039 8.390 5.889 623 2HB MET 83 3HB MET 83 18.327 9.599 5.982 624 1HG MET 83 2HG MET 83 18.857 6.806 4.938 625 2HG MET 83 3HG MET 83 18.034 8.014 3.950 626 1HE MET 83 1HE MET 83 21.875 7.481 2.784 627 2HE MET 83 2HE MET 83 21.079 6.326 3.884 628 3HE MET 83 3HE MET 83 20.185 6.991 2.494 629 H THR 84 H THR 84 20.603 6.609 6.700 630 HA THR 84 HA THR 84 22.818 6.662 6.866 631 HB THR 84 HB THR 84 22.755 8.637 5.506 632 HG1 THR 84 1HG THR 84 24.648 8.702 7.572 633 1HG2 THR 84 1HG2 THR 84 21.530 10.330 6.704 634 2HG2 THR 84 2HG2 THR 84 22.657 10.265 8.080 635 3HG2 THR 84 3HG2 THR 84 23.180 10.896 6.507 636 H CYS 85 H CYS 85 21.268 6.305 9.248 637 HA CYS 85 HA CYS 85 23.482 6.776 11.224 638 1HB CYS 85 2HB CYS 85 21.451 7.865 11.942 639 2HB CYS 85 3HB CYS 85 20.510 6.380 11.697 640 HG CYS 85 HG CYS 85 20.937 6.801 14.242 641 H ALA 86 H ALA 86 21.039 4.404 10.090 642 HA ALA 86 HA ALA 86 22.828 2.137 10.416 643 1HB ALA 86 1HB ALA 86 21.530 1.064 12.243 644 2HB ALA 86 2HB ALA 86 22.317 2.551 12.794 645 3HB ALA 86 3HB ALA 86 20.579 2.553 12.438 646 H ALA 87 H ALA 87 21.882 2.476 8.123 647 HA ALA 87 HA ALA 87 20.472 1.861 6.408 648 1HB ALA 87 1HB ALA 87 20.069 -0.575 8.188 649 2HB ALA 87 2HB ALA 87 19.857 -0.494 6.427 650 3HB ALA 87 3HB ALA 87 21.470 -0.293 7.130 651 H CYS 88 H CYS 88 19.263 3.576 8.282 652 HA CYS 88 HA CYS 88 16.898 2.581 9.390 653 1HB CYS 88 2HB CYS 88 17.644 5.453 8.757 654 2HB CYS 88 3HB CYS 88 16.400 4.944 9.910 655 HG CYS 88 HG CYS 88 18.534 5.709 11.194 656 H ALA 89 H ALA 89 17.386 4.586 6.484 657 HA ALA 89 HA ALA 89 14.669 4.759 5.613 658 1HB ALA 89 1HB ALA 89 15.729 5.236 3.406 659 2HB ALA 89 2HB ALA 89 16.258 6.264 4.750 660 3HB ALA 89 3HB ALA 89 17.314 4.957 4.190 661 H ASN 90 H ASN 90 17.160 2.191 5.220 662 HA ASN 90 HA ASN 90 15.522 0.733 3.313 663 1HB ASN 90 2HB ASN 90 17.879 -0.156 5.012 664 2HB ASN 90 3HB ASN 90 17.012 -1.211 3.891 665 1HD2 ASN 90 1HD2 ASN 90 19.815 -0.605 3.631 666 2HD2 ASN 90 2HD2 ASN 90 19.975 0.278 2.122 667 H ARG 91 H ARG 91 16.053 0.533 6.855 668 HA ARG 91 HA ARG 91 14.224 -1.587 7.374 669 1HB ARG 91 2HB ARG 91 15.253 0.757 8.968 670 2HB ARG 91 3HB ARG 91 13.840 -0.121 9.563 671 1HG ARG 91 2HG ARG 91 15.042 -2.221 9.567 672 2HG ARG 91 3HG ARG 91 16.495 -1.449 8.876 673 1HD ARG 91 2HD ARG 91 16.824 -0.091 10.805 674 2HD ARG 91 3HD ARG 91 15.181 -0.420 11.412 675 HE ARG 91 HE ARG 91 16.798 -2.815 11.219 676 1HH1 ARG 91 2HH2 ARG 91 16.287 0.086 13.181 677 2HH1 ARG 91 1HH2 ARG 91 16.373 -0.736 14.712 678 1HH2 ARG 91 2HH1 ARG 91 17.163 -3.903 13.237 679 2HH2 ARG 91 1HH1 ARG 91 17.049 -3.043 14.736 680 H ILE 92 H ILE 92 13.546 1.978 7.361 681 HA ILE 92 HA ILE 92 10.746 1.551 7.745 682 HB ILE 92 HB ILE 92 10.384 3.822 7.047 683 1HG1 ILE 92 2HG1 ILE 92 13.222 4.491 7.022 684 2HG1 ILE 92 3HG1 ILE 92 12.473 3.904 5.497 685 1HG2 ILE 92 1HG2 ILE 92 12.586 3.528 9.094 686 2HG2 ILE 92 2HG2 ILE 92 11.460 4.901 8.928 687 3HG2 ILE 92 3HG2 ILE 92 10.849 3.304 9.387 688 1HD1 ILE 92 1HD1 ILE 92 11.557 6.277 7.149 689 2HD1 ILE 92 2HD1 ILE 92 12.316 6.303 5.546 690 3HD1 ILE 92 3HD1 ILE 92 10.703 5.609 5.738 691 H GLU 93 H GLU 93 12.698 1.631 4.713 692 HA GLU 93 HA GLU 93 10.581 1.837 2.882 693 1HB GLU 93 2HB GLU 93 12.942 2.040 2.269 694 2HB GLU 93 3HB GLU 93 13.293 0.383 2.737 695 1HG GLU 93 2HG GLU 93 11.253 1.013 0.628 696 2HG GLU 93 3HG GLU 93 12.989 0.947 0.275 697 H LYS 94 H LYS 94 12.315 -1.053 4.095 698 HA LYS 94 HA LYS 94 10.663 -2.926 2.843 699 1HB LYS 94 2HB LYS 94 12.208 -3.161 5.455 700 2HB LYS 94 3HB LYS 94 11.572 -4.546 4.564 701 1HG LYS 94 2HG LYS 94 13.505 -2.539 3.313 702 2HG LYS 94 3HG LYS 94 14.071 -3.912 4.235 703 1HD LYS 94 2HD LYS 94 12.247 -4.145 1.796 704 2HD LYS 94 3HD LYS 94 13.998 -4.060 1.697 705 1HE LYS 94 2HE LYS 94 14.195 -6.066 3.204 706 2HE LYS 94 3HE LYS 94 12.430 -6.226 3.193 707 1HZ LYS 94 1HZ LYS 94 12.549 -6.546 0.816 708 2HZ LYS 94 2HZ LYS 94 14.184 -6.369 0.828 709 3HZ LYS 94 3HZ LYS 94 13.494 -7.654 1.588 710 H ARG 95 H ARG 95 10.033 -1.085 5.749 711 HA ARG 95 HA ARG 95 7.635 -2.701 6.450 712 1HB ARG 95 2HB ARG 95 8.848 -0.129 7.472 713 2HB ARG 95 3HB ARG 95 7.194 -0.577 7.888 714 1HG ARG 95 2HG ARG 95 9.216 -2.776 8.156 715 2HG ARG 95 3HG ARG 95 9.451 -1.420 9.230 716 1HD ARG 95 2HD ARG 95 7.136 -1.554 10.047 717 2HD ARG 95 3HD ARG 95 6.757 -2.858 8.935 718 HE ARG 95 HE ARG 95 8.149 -2.976 11.488 719 1HH1 ARG 95 2HH2 ARG 95 7.873 -4.584 8.376 720 2HH1 ARG 95 1HH2 ARG 95 8.219 -6.184 8.964 721 1HH2 ARG 95 2HH1 ARG 95 8.643 -5.078 12.333 722 2HH2 ARG 95 1HH1 ARG 95 8.698 -6.455 11.282 723 H LEU 96 H LEU 96 8.009 0.690 5.459 724 HA LEU 96 HA LEU 96 5.418 1.396 4.816 725 1HB LEU 96 2HB LEU 96 8.056 2.272 3.662 726 2HB LEU 96 3HB LEU 96 6.511 2.824 3.026 727 HG LEU 96 HG LEU 96 6.204 3.152 5.814 728 1HD1 LEU 96 1HD1 LEU 96 8.945 4.035 4.927 729 2HD1 LEU 96 2HD1 LEU 96 8.044 4.827 6.242 730 3HD1 LEU 96 3HD1 LEU 96 8.417 3.112 6.371 731 1HD2 LEU 96 1HD2 LEU 96 6.745 5.134 3.584 732 2HD2 LEU 96 2HD2 LEU 96 5.172 4.458 4.102 733 3HD2 LEU 96 3HD2 LEU 96 6.087 5.526 5.189 734 H ASN 97 H ASN 97 7.714 -0.196 2.653 735 HA ASN 97 HA ASN 97 6.664 -0.454 0.250 736 1HB ASN 97 2HB ASN 97 8.641 -1.673 1.318 737 2HB ASN 97 3HB ASN 97 7.514 -2.934 1.800 738 1HD2 ASN 97 1HD2 ASN 97 9.794 -2.048 -0.442 739 2HD2 ASN 97 2HD2 ASN 97 9.209 -2.918 -1.857 740 H LYS 98 H LYS 98 5.345 -2.252 3.063 741 HA LYS 98 HA LYS 98 2.771 -1.788 2.044 742 1HB LYS 98 2HB LYS 98 1.903 -4.151 2.072 743 2HB LYS 98 3HB LYS 98 2.726 -3.601 0.626 744 1HG LYS 98 2HG LYS 98 4.532 -4.861 2.636 745 2HG LYS 98 3HG LYS 98 3.257 -5.910 2.019 746 1HD LYS 98 2HD LYS 98 3.986 -5.827 -0.195 747 2HD LYS 98 3HD LYS 98 4.813 -4.285 0.030 748 1HE LYS 98 2HE LYS 98 6.523 -5.351 1.450 749 2HE LYS 98 3HE LYS 98 5.773 -6.941 1.192 750 1HZ LYS 98 1HZ LYS 98 7.631 -6.525 -0.299 751 2HZ LYS 98 2HZ LYS 98 6.239 -6.672 -1.171 752 3HZ LYS 98 3HZ LYS 98 6.883 -5.180 -0.884 753 H ILE 99 H ILE 99 2.991 -0.675 4.085 754 HA ILE 99 HA ILE 99 2.907 -2.144 6.576 755 HB ILE 99 HB ILE 99 2.123 0.673 5.793 756 1HG1 ILE 99 2HG1 ILE 99 4.140 -0.433 7.804 757 2HG1 ILE 99 3HG1 ILE 99 4.511 -0.130 6.111 758 1HG2 ILE 99 1HG2 ILE 99 1.703 1.130 8.231 759 2HG2 ILE 99 2HG2 ILE 99 0.482 0.112 7.526 760 3HG2 ILE 99 3HG2 ILE 99 1.748 -0.617 8.536 761 1HD1 ILE 99 1HD1 ILE 99 3.899 2.288 6.434 762 2HD1 ILE 99 2HD1 ILE 99 3.698 1.969 8.167 763 3HD1 ILE 99 3HD1 ILE 99 5.277 1.745 7.420 764 H GLU 100 H GLU 100 0.170 -0.457 4.945 765 HA GLU 100 HA GLU 100 -1.577 -2.766 5.568 766 1HB GLU 100 2HB GLU 100 -1.493 -1.005 7.500 767 2HB GLU 100 3HB GLU 100 -2.492 -0.004 6.435 768 1HG GLU 100 2HG GLU 100 -4.143 -1.889 6.331 769 2HG GLU 100 3HG GLU 100 -3.079 -2.849 7.379 770 H GLY 101 H GLY 101 -1.760 0.619 4.360 771 1HA GLY 101 2HA GLY 101 -3.007 -0.416 1.839 772 2HA GLY 101 3HA GLY 101 -3.608 1.025 2.698 773 H VAL 102 H VAL 102 -0.369 -0.231 1.917 774 HA VAL 102 HA VAL 102 0.350 2.303 0.501 775 HB VAL 102 HB VAL 102 2.270 0.322 1.704 776 1HG1 VAL 102 1HG1 VAL 102 3.862 2.169 1.419 777 2HG1 VAL 102 2HG1 VAL 102 3.005 1.896 -0.095 778 3HG1 VAL 102 3HG1 VAL 102 2.573 3.256 0.947 779 1HG2 VAL 102 1HG2 VAL 102 0.979 1.116 3.597 780 2HG2 VAL 102 2HG2 VAL 102 2.532 1.970 3.586 781 3HG2 VAL 102 3HG2 VAL 102 1.060 2.789 3.016 782 H ALA 103 H ALA 103 0.646 2.110 -1.622 783 HA ALA 103 HA ALA 103 0.515 -0.516 -2.910 784 1HB ALA 103 1HB ALA 103 0.773 0.799 -4.997 785 2HB ALA 103 2HB ALA 103 -0.611 1.312 -4.017 786 3HB ALA 103 3HB ALA 103 0.877 2.287 -4.038 787 H ASN 104 H ASN 104 2.864 2.175 -2.410 788 HA ASN 104 HA ASN 104 5.137 0.329 -2.667 789 1HB ASN 104 2HB ASN 104 4.868 2.656 -4.627 790 2HB ASN 104 3HB ASN 104 6.257 1.591 -4.453 791 1HD2 ASN 104 1HD2 ASN 104 3.299 2.079 -6.101 792 2HD2 ASN 104 2HD2 ASN 104 3.108 0.431 -6.728 793 H ALA 105 H ALA 105 7.212 1.580 -2.391 794 HA ALA 105 HA ALA 105 6.947 4.141 -0.993 795 1HB ALA 105 1HB ALA 105 6.268 2.563 0.748 796 2HB ALA 105 2HB ALA 105 7.820 1.709 0.586 797 3HB ALA 105 3HB ALA 105 7.787 3.394 1.149 798 HA PRO 106 HA PRO 106 11.143 3.193 -2.842 799 1HB PRO 106 2HB PRO 106 11.334 5.182 -4.723 800 2HB PRO 106 3HB PRO 106 10.571 3.592 -5.024 801 1HG PRO 106 2HG PRO 106 9.235 6.188 -4.307 802 2HG PRO 106 3HG PRO 106 8.759 5.047 -5.591 803 1HD PRO 106 2HD PRO 106 7.519 5.050 -3.153 804 2HD PRO 106 3HD PRO 106 7.831 3.530 -4.033 805 H VAL 107 H VAL 107 12.959 4.082 -1.995 806 HA VAL 107 HA VAL 107 12.731 6.605 -0.458 807 HB VAL 107 HB VAL 107 14.639 5.794 0.825 808 1HG1 VAL 107 1HG1 VAL 107 12.261 5.398 1.493 809 2HG1 VAL 107 2HG1 VAL 107 12.359 3.778 0.797 810 3HG1 VAL 107 3HG1 VAL 107 13.403 4.240 2.170 811 1HG2 VAL 107 1HG2 VAL 107 14.278 3.145 -0.664 812 2HG2 VAL 107 2HG2 VAL 107 15.690 4.213 -0.792 813 3HG2 VAL 107 3HG2 VAL 107 15.307 3.424 0.744 814 H ASN 108 H ASN 108 14.020 8.336 -0.875 815 HA ASN 108 HA ASN 108 15.452 8.296 -3.421 816 1HB ASN 108 2HB ASN 108 14.823 10.404 -1.315 817 2HB ASN 108 3HB ASN 108 16.053 10.693 -2.549 818 1HD2 ASN 108 1HD2 ASN 108 14.916 12.378 -3.551 819 2HD2 ASN 108 2HD2 ASN 108 13.513 12.035 -4.547 820 H PHE 109 H PHE 109 16.290 8.157 -0.006 821 HA PHE 109 HA PHE 109 18.193 7.877 1.115 822 1HB PHE 109 2HB PHE 109 18.902 6.661 -1.521 823 2HB PHE 109 3HB PHE 109 20.245 7.338 -0.633 824 HD1 PHE 109 1HD PHE 109 21.442 5.515 0.261 825 HD2 PHE 109 2HD PHE 109 17.142 5.603 0.577 826 HE1 PHE 109 1HE PHE 109 21.531 3.785 2.016 827 HE2 PHE 109 2HE PHE 109 17.227 3.794 2.240 828 HZ PHE 109 HZ PHE 109 19.428 2.891 3.004 829 H ALA 110 H ALA 110 19.103 9.515 -1.938 830 HA ALA 110 HA ALA 110 21.347 10.827 -0.822 831 1HB ALA 110 1HB ALA 110 19.634 11.553 -3.252 832 2HB ALA 110 2HB ALA 110 21.268 12.171 -2.917 833 3HB ALA 110 3HB ALA 110 21.023 10.443 -3.244 834 H LEU 111 H LEU 111 17.974 11.794 -1.215 835 HA LEU 111 HA LEU 111 18.432 14.480 -0.056 836 1HB LEU 111 2HB LEU 111 15.858 13.144 -0.935 837 2HB LEU 111 3HB LEU 111 16.124 14.866 -0.609 838 HG LEU 111 HG LEU 111 17.023 13.154 -2.946 839 1HD1 LEU 111 1HD1 LEU 111 15.786 14.791 -4.251 840 2HD1 LEU 111 2HD1 LEU 111 14.753 14.297 -2.890 841 3HD1 LEU 111 3HD1 LEU 111 15.600 15.851 -2.838 842 1HD2 LEU 111 1HD2 LEU 111 19.026 14.504 -2.421 843 2HD2 LEU 111 2HD2 LEU 111 18.224 15.181 -3.840 844 3HD2 LEU 111 3HD2 LEU 111 18.029 15.966 -2.259 845 H GLU 112 H GLU 112 18.152 11.429 1.300 846 HA GLU 112 HA GLU 112 17.271 10.497 3.104 847 1HB GLU 112 2HB GLU 112 17.226 13.305 4.285 848 2HB GLU 112 3HB GLU 112 17.302 11.770 5.146 849 1HG GLU 112 2HG GLU 112 19.492 11.292 3.912 850 2HG GLU 112 3HG GLU 112 19.448 12.958 3.321 851 H THR 113 H THR 113 15.341 11.077 1.064 852 HA THR 113 HA THR 113 12.903 11.447 2.734 853 HB THR 113 HB THR 113 11.761 12.520 1.059 854 HG1 THR 113 1HG THR 113 12.115 12.395 -1.009 855 1HG2 THR 113 1HG2 THR 113 13.139 14.478 0.530 856 2HG2 THR 113 2HG2 THR 113 13.598 13.896 2.145 857 3HG2 THR 113 3HG2 THR 113 14.602 13.521 0.735 858 H VAL 114 H VAL 114 11.067 10.295 2.171 859 HA VAL 114 HA VAL 114 11.395 7.910 0.453 860 HB VAL 114 HB VAL 114 11.482 7.038 2.682 861 1HG1 VAL 114 1HG1 VAL 114 10.484 8.975 3.923 862 2HG1 VAL 114 2HG1 VAL 114 8.886 8.430 3.364 863 3HG1 VAL 114 3HG1 VAL 114 9.859 7.392 4.405 864 1HG2 VAL 114 1HG2 VAL 114 9.617 5.528 2.671 865 2HG2 VAL 114 2HG2 VAL 114 8.614 6.652 1.740 866 3HG2 VAL 114 3HG2 VAL 114 10.010 5.872 0.975 867 H THR 115 H THR 115 9.913 7.849 -1.152 868 HA THR 115 HA THR 115 7.562 9.647 -0.961 869 HB THR 115 HB THR 115 8.234 7.714 -3.173 870 HG1 THR 115 1HG THR 115 9.372 10.165 -2.556 871 1HG2 THR 115 1HG2 THR 115 6.861 9.274 -4.500 872 2HG2 THR 115 2HG2 THR 115 5.943 8.632 -3.120 873 3HG2 THR 115 3HG2 THR 115 6.597 10.285 -3.063 874 H VAL 116 H VAL 116 5.726 8.778 -0.095 875 HA VAL 116 HA VAL 116 5.491 5.822 0.211 876 HB VAL 116 HB VAL 116 5.553 6.976 2.331 877 1HG1 VAL 116 1HG1 VAL 116 3.027 8.489 1.563 878 2HG1 VAL 116 2HG1 VAL 116 3.900 8.529 3.093 879 3HG1 VAL 116 3HG1 VAL 116 4.646 9.212 1.652 880 1HG2 VAL 116 1HG2 VAL 116 4.136 4.970 2.034 881 2HG2 VAL 116 2HG2 VAL 116 3.444 6.090 3.230 882 3HG2 VAL 116 3HG2 VAL 116 2.775 6.024 1.597 883 H GLU 117 H GLU 117 4.254 4.980 -1.359 884 HA GLU 117 HA GLU 117 2.190 6.663 -2.679 885 1HB GLU 117 2HB GLU 117 3.985 4.466 -3.541 886 2HB GLU 117 3HB GLU 117 2.290 4.098 -3.868 887 1HG GLU 117 2HG GLU 117 2.082 6.322 -5.001 888 2HG GLU 117 3HG GLU 117 3.854 6.487 -4.814 889 H TYR 118 H TYR 118 0.425 6.601 -1.281 890 HA TYR 118 HA TYR 118 -0.593 3.932 -0.553 891 1HB TYR 118 2HB TYR 118 -0.462 4.158 1.760 892 2HB TYR 118 3HB TYR 118 1.097 4.745 1.254 893 HD1 TYR 118 HD1 TYR 118 0.883 7.538 0.660 894 HD2 TYR 118 HD2 TYR 118 -1.399 5.259 3.520 895 HE1 TYR 118 HE1 TYR 118 0.401 9.594 1.904 896 HE2 TYR 118 HE2 TYR 118 -1.822 7.320 4.814 897 HH TYR 118 HH TYR 118 -0.665 10.520 3.734 898 H ASN 119 H ASN 119 -2.565 4.069 0.773 899 HA ASN 119 HA ASN 119 -4.376 5.914 -0.640 900 1HB ASN 119 2HB ASN 119 -4.521 3.340 -0.504 901 2HB ASN 119 3HB ASN 119 -5.220 3.584 1.097 902 1HD2 ASN 119 1HD2 ASN 119 -6.090 2.879 -1.890 903 2HD2 ASN 119 2HD2 ASN 119 -7.595 3.746 -2.069 904 HA PRO 120 HA PRO 120 -4.202 7.934 3.424 905 1HB PRO 120 2HB PRO 120 -4.807 10.477 2.774 906 2HB PRO 120 3HB PRO 120 -3.328 9.717 2.124 907 1HG PRO 120 2HG PRO 120 -6.024 9.892 0.754 908 2HG PRO 120 3HG PRO 120 -4.457 10.438 0.117 909 1HD PRO 120 2HD PRO 120 -5.498 7.962 -0.437 910 2HD PRO 120 3HD PRO 120 -3.740 8.216 -0.251 911 H LYS 121 H LYS 121 -6.407 6.240 2.688 912 HA LYS 121 HA LYS 121 -8.651 7.643 4.081 913 1HB LYS 121 2HB LYS 121 -8.814 5.420 1.995 914 2HB LYS 121 3HB LYS 121 -10.169 6.225 2.789 915 1HG LYS 121 2HG LYS 121 -8.107 7.600 0.983 916 2HG LYS 121 3HG LYS 121 -9.624 6.955 0.443 917 1HD LYS 121 2HD LYS 121 -10.844 8.433 2.087 918 2HD LYS 121 3HD LYS 121 -9.307 9.156 2.559 919 1HE LYS 121 2HE LYS 121 -10.584 9.268 -0.213 920 2HE LYS 121 3HE LYS 121 -10.513 10.587 0.969 921 1HZ LYS 121 1HZ LYS 121 -8.787 10.837 -0.649 922 2HZ LYS 121 2HZ LYS 121 -8.105 10.502 0.813 923 3HZ LYS 121 3HZ LYS 121 -8.194 9.336 -0.345 924 H GLU 122 H GLU 122 -7.521 4.300 3.219 925 HA GLU 122 HA GLU 122 -8.105 3.102 5.665 926 1HB GLU 122 2HB GLU 122 -5.955 2.623 3.569 927 2HB GLU 122 3HB GLU 122 -6.092 1.620 5.023 928 1HG GLU 122 2HG GLU 122 -7.240 0.521 3.248 929 2HG GLU 122 3HG GLU 122 -8.423 1.031 4.431 930 H ALA 123 H ALA 123 -5.106 4.932 4.784 931 HA ALA 123 HA ALA 123 -4.419 5.043 7.703 932 1HB ALA 123 1HB ALA 123 -2.969 3.406 6.578 933 2HB ALA 123 2HB ALA 123 -2.511 4.625 5.378 934 3HB ALA 123 3HB ALA 123 -2.048 4.830 7.080 935 H SER 124 H SER 124 -2.454 6.832 7.769 936 HA SER 124 HA SER 124 -2.841 9.177 6.138 937 1HB SER 124 2HB SER 124 -4.160 9.027 8.881 938 2HB SER 124 3HB SER 124 -3.656 10.569 8.172 939 HG SER 124 HG SER 124 -5.256 8.824 6.661 940 H VAL 125 H VAL 125 -1.559 10.991 7.037 941 HA VAL 125 HA VAL 125 1.045 10.607 7.507 942 HB VAL 125 HB VAL 125 -0.589 12.743 8.977 943 1HG1 VAL 125 1HG1 VAL 125 2.277 12.768 8.003 944 2HG1 VAL 125 2HG1 VAL 125 1.402 14.142 8.718 945 3HG1 VAL 125 3HG1 VAL 125 1.743 12.711 9.689 946 1HG2 VAL 125 1HG2 VAL 125 -0.156 14.177 6.962 947 2HG2 VAL 125 2HG2 VAL 125 0.397 12.739 6.090 948 3HG2 VAL 125 3HG2 VAL 125 -1.283 12.868 6.645 949 H SER 126 H SER 126 -1.309 10.711 10.219 950 HA SER 126 HA SER 126 0.703 10.511 12.234 951 1HB SER 126 2HB SER 126 -2.244 9.758 12.369 952 2HB SER 126 3HB SER 126 -1.139 9.873 13.749 953 HG SER 126 HG SER 126 -1.851 11.977 11.968 954 H ASP 127 H ASP 127 -0.975 7.946 10.379 955 HA ASP 127 HA ASP 127 -0.068 5.714 11.992 956 1HB ASP 127 2HB ASP 127 -1.846 5.272 10.442 957 2HB ASP 127 3HB ASP 127 -0.963 6.009 9.094 958 H LEU 128 H LEU 128 1.115 7.442 9.143 959 HA LEU 128 HA LEU 128 3.407 5.833 8.646 960 1HB LEU 128 2HB LEU 128 2.767 8.708 7.955 961 2HB LEU 128 3HB LEU 128 4.166 7.864 7.329 962 HG LEU 128 HG LEU 128 1.284 6.873 6.964 963 1HD1 LEU 128 1HD1 LEU 128 1.520 8.980 5.843 964 2HD1 LEU 128 2HD1 LEU 128 3.124 8.525 5.221 965 3HD1 LEU 128 3HD1 LEU 128 1.666 7.711 4.610 966 1HD2 LEU 128 1HD2 LEU 128 2.972 5.047 6.711 967 2HD2 LEU 128 2HD2 LEU 128 2.273 5.494 5.164 968 3HD2 LEU 128 3HD2 LEU 128 3.892 6.084 5.600 969 H LYS 129 H LYS 129 3.043 8.857 10.495 970 HA LYS 129 HA LYS 129 5.747 8.974 11.431 971 1HB LYS 129 2HB LYS 129 3.167 9.997 12.644 972 2HB LYS 129 3HB LYS 129 4.792 10.366 13.273 973 1HG LYS 129 2HG LYS 129 5.355 11.148 10.872 974 2HG LYS 129 3HG LYS 129 3.630 11.155 10.565 975 1HD LYS 129 2HD LYS 129 5.182 12.840 12.582 976 2HD LYS 129 3HD LYS 129 4.469 13.354 11.057 977 1HE LYS 129 2HE LYS 129 3.041 14.183 12.727 978 2HE LYS 129 3HE LYS 129 2.177 12.857 11.943 979 1HZ LYS 129 1HZ LYS 129 3.601 12.682 14.524 980 2HZ LYS 129 2HZ LYS 129 1.971 12.813 14.333 981 3HZ LYS 129 3HZ LYS 129 2.752 11.466 13.817 982 H GLU 130 H GLU 130 2.828 7.377 12.943 983 HA GLU 130 HA GLU 130 4.163 6.461 15.248 984 1HB GLU 130 2HB GLU 130 1.662 6.499 14.585 985 2HB GLU 130 3HB GLU 130 1.944 4.936 13.810 986 1HG GLU 130 2HG GLU 130 2.550 5.549 16.746 987 2HG GLU 130 3HG GLU 130 0.987 5.005 16.131 988 H ALA 131 H ALA 131 3.861 5.047 11.995 989 HA ALA 131 HA ALA 131 4.934 2.502 12.567 990 1HB ALA 131 1HB ALA 131 3.702 3.051 10.508 991 2HB ALA 131 2HB ALA 131 5.038 4.081 9.958 992 3HB ALA 131 3HB ALA 131 5.285 2.333 10.145 993 H VAL 132 H VAL 132 6.643 5.536 11.316 994 HA VAL 132 HA VAL 132 9.166 4.143 11.506 995 HB VAL 132 HB VAL 132 8.412 7.032 11.188 996 1HG1 VAL 132 1HG1 VAL 132 10.888 7.105 10.277 997 2HG1 VAL 132 2HG1 VAL 132 10.657 7.037 12.029 998 3HG1 VAL 132 3HG1 VAL 132 11.086 5.567 11.130 999 1HG2 VAL 132 1HG2 VAL 132 9.189 6.386 8.777 1000 2HG2 VAL 132 2HG2 VAL 132 9.083 4.712 9.308 1001 3HG2 VAL 132 3HG2 VAL 132 7.640 5.717 9.319 1002 H ASP 133 H ASP 133 7.228 6.051 13.785 1003 HA ASP 133 HA ASP 133 9.234 6.464 15.689 1004 1HB ASP 133 2HB ASP 133 6.712 7.215 15.630 1005 2HB ASP 133 3HB ASP 133 6.423 5.742 16.561 1006 H LYS 134 H LYS 134 6.966 3.711 15.308 1007 HA LYS 134 HA LYS 134 8.069 1.893 17.150 1008 1HB LYS 134 2HB LYS 134 6.582 1.592 14.548 1009 2HB LYS 134 3HB LYS 134 7.303 0.167 15.291 1010 1HG LYS 134 2HG LYS 134 6.010 0.438 17.294 1011 2HG LYS 134 3HG LYS 134 5.463 2.056 16.793 1012 1HD LYS 134 2HD LYS 134 4.221 1.212 14.962 1013 2HD LYS 134 3HD LYS 134 4.877 -0.434 15.129 1014 1HE LYS 134 2HE LYS 134 3.591 -0.889 17.071 1015 2HE LYS 134 3HE LYS 134 3.341 0.826 17.422 1016 1HZ LYS 134 1HZ LYS 134 2.129 -0.522 15.112 1017 2HZ LYS 134 2HZ LYS 134 1.358 -0.149 16.527 1018 3HZ LYS 134 3HZ LYS 134 1.950 1.052 15.576 1019 H LEU 135 H LEU 135 9.170 2.456 13.737 1020 HA LEU 135 HA LEU 135 11.294 0.499 13.963 1021 1HB LEU 135 2HB LEU 135 10.942 2.880 12.112 1022 2HB LEU 135 3HB LEU 135 12.409 1.924 12.136 1023 HG LEU 135 HG LEU 135 11.109 1.182 10.334 1024 1HD1 LEU 135 1HD1 LEU 135 10.860 -1.029 12.386 1025 2HD1 LEU 135 2HD1 LEU 135 11.160 -1.144 10.645 1026 3HD1 LEU 135 3HD1 LEU 135 12.415 -0.494 11.705 1027 1HD2 LEU 135 1HD2 LEU 135 8.898 1.841 11.016 1028 2HD2 LEU 135 2HD2 LEU 135 8.879 0.149 10.569 1029 3HD2 LEU 135 3HD2 LEU 135 8.849 0.576 12.279 1030 H GLY 136 H GLY 136 11.008 3.742 15.227 1031 1HA GLY 136 2HA GLY 136 12.267 4.489 17.017 1032 2HA GLY 136 3HA GLY 136 13.569 3.361 16.641 1033 H TYR 137 H TYR 137 11.965 5.656 14.396 1034 HA TYR 137 HA TYR 137 14.345 7.453 14.479 1035 1HB TYR 137 2HB TYR 137 13.013 6.692 11.871 1036 2HB TYR 137 3HB TYR 137 14.494 7.600 12.126 1037 HD1 TYR 137 HD1 TYR 137 13.244 4.460 11.155 1038 HD2 TYR 137 HD2 TYR 137 16.365 6.231 13.536 1039 HE1 TYR 137 HE1 TYR 137 14.569 2.365 11.009 1040 HE2 TYR 137 HE2 TYR 137 17.612 4.106 13.465 1041 HH TYR 137 HH TYR 137 17.700 2.023 12.409 1042 H LYS 138 H LYS 138 13.264 9.418 12.564 1043 HA LYS 138 HA LYS 138 10.522 9.810 13.576 1044 1HB LYS 138 2HB LYS 138 10.917 12.201 13.843 1045 2HB LYS 138 3HB LYS 138 11.606 11.183 15.107 1046 1HG LYS 138 2HG LYS 138 13.323 11.802 12.797 1047 2HG LYS 138 3HG LYS 138 12.953 13.194 13.798 1048 1HD LYS 138 2HD LYS 138 14.358 10.589 14.558 1049 2HD LYS 138 3HD LYS 138 15.103 12.125 14.283 1050 1HE LYS 138 2HE LYS 138 13.908 13.117 16.236 1051 2HE LYS 138 3HE LYS 138 13.233 11.519 16.612 1052 1HZ LYS 138 1HZ LYS 138 15.461 10.699 16.887 1053 2HZ LYS 138 2HZ LYS 138 16.103 12.170 16.526 1054 3HZ LYS 138 3HZ LYS 138 15.200 11.977 17.887 1055 H LEU 139 H LEU 139 9.205 10.155 11.968 1056 HA LEU 139 HA LEU 139 10.329 10.608 9.251 1057 1HB LEU 139 2HB LEU 139 9.226 8.443 9.780 1058 2HB LEU 139 3HB LEU 139 7.711 9.320 10.056 1059 HG LEU 139 HG LEU 139 8.234 10.267 7.715 1060 1HD1 LEU 139 1HD1 LEU 139 9.565 7.679 7.057 1061 2HD1 LEU 139 2HD1 LEU 139 9.616 9.233 6.223 1062 3HD1 LEU 139 3HD1 LEU 139 10.557 9.000 7.704 1063 1HD2 LEU 139 1HD2 LEU 139 6.984 8.543 6.583 1064 2HD2 LEU 139 2HD2 LEU 139 7.245 7.453 7.959 1065 3HD2 LEU 139 3HD2 LEU 139 6.312 8.946 8.180 1066 H LYS 140 H LYS 140 9.676 12.390 8.163 1067 HA LYS 140 HA LYS 140 7.530 14.123 9.344 1068 1HB LYS 140 2HB LYS 140 10.283 15.013 8.372 1069 2HB LYS 140 3HB LYS 140 8.943 16.076 8.830 1070 1HG LYS 140 2HG LYS 140 8.998 14.739 11.112 1071 2HG LYS 140 3HG LYS 140 10.632 14.289 10.567 1072 1HD LYS 140 2HD LYS 140 11.145 16.700 10.222 1073 2HD LYS 140 3HD LYS 140 9.547 17.145 10.841 1074 1HE LYS 140 2HE LYS 140 10.047 16.322 13.047 1075 2HE LYS 140 3HE LYS 140 11.478 15.446 12.474 1076 1HZ LYS 140 1HZ LYS 140 12.062 17.485 13.598 1077 2HZ LYS 140 2HZ LYS 140 12.607 17.390 12.072 1078 3HZ LYS 140 3HZ LYS 140 11.320 18.378 12.414 1079 H LEU 141 H LEU 141 7.160 16.007 7.635 1080 HA LEU 141 HA LEU 141 6.635 14.661 5.037 1081 1HB LEU 141 2HB LEU 141 5.270 17.075 6.250 1082 2HB LEU 141 3HB LEU 141 4.903 16.196 4.754 1083 HG LEU 141 HG LEU 141 4.744 14.099 6.416 1084 1HD1 LEU 141 1HD1 LEU 141 5.292 15.422 8.509 1085 2HD1 LEU 141 2HD1 LEU 141 3.889 16.452 8.183 1086 3HD1 LEU 141 3HD1 LEU 141 3.677 14.733 8.557 1087 1HD2 LEU 141 1HD2 LEU 141 2.525 16.147 6.176 1088 2HD2 LEU 141 2HD2 LEU 141 2.972 14.996 4.895 1089 3HD2 LEU 141 3HD2 LEU 141 2.336 14.409 6.430 1090 H LYS 142 H LYS 142 7.209 15.784 3.088 1091 HA LYS 142 HA LYS 142 9.323 17.841 3.383 1092 1HB LYS 142 2HB LYS 142 8.013 16.501 0.998 1093 2HB LYS 142 3HB LYS 142 9.170 17.836 0.862 1094 1HG LYS 142 2HG LYS 142 10.896 16.480 2.088 1095 2HG LYS 142 3HG LYS 142 9.719 15.156 2.168 1096 1HD LYS 142 2HD LYS 142 10.815 14.537 0.285 1097 2HD LYS 142 3HD LYS 142 9.534 15.534 -0.437 1098 1HE LYS 142 2HE LYS 142 11.035 17.388 -0.775 1099 2HE LYS 142 3HE LYS 142 12.355 16.522 0.027 1100 1HZ LYS 142 1HZ LYS 142 10.959 15.711 -2.462 1101 2HZ LYS 142 2HZ LYS 142 12.547 16.177 -2.347 1102 3HZ LYS 142 3HZ LYS 142 11.947 14.741 -1.718 1103 H GLY 143 H GLY 143 8.157 19.524 4.342 1104 1HA GLY 143 2HA GLY 143 7.374 21.679 4.045 1105 2HA GLY 143 3HA GLY 143 6.856 21.288 2.400 1106 H GLU 144 H GLU 144 5.071 19.483 2.424 1107 HA GLU 144 HA GLU 144 2.822 19.342 2.527 1108 1HB GLU 144 2HB GLU 144 3.620 17.963 4.468 1109 2HB GLU 144 3HB GLU 144 3.216 19.308 5.540 1110 1HG GLU 144 2HG GLU 144 0.930 18.771 3.835 1111 2HG GLU 144 3HG GLU 144 1.520 17.224 4.439 1112 H GLN 145 H GLN 145 3.276 21.718 1.856 1113 HA GLN 145 HA GLN 145 1.115 23.330 2.695 1114 1HB GLN 145 2HB GLN 145 3.532 23.672 4.336 1115 2HB GLN 145 3HB GLN 145 3.172 25.154 3.451 1116 1HG GLN 145 2HG GLN 145 0.908 25.228 4.311 1117 2HG GLN 145 3HG GLN 145 1.100 23.660 5.104 1118 1HE2 GLN 145 1HE2 GLN 145 0.458 24.731 7.103 1119 2HE2 GLN 145 2HE2 GLN 145 1.655 25.674 7.980 1120 H ASP 146 H ASP 146 4.429 23.313 1.365 1121 HA ASP 146 HA ASP 146 3.594 25.320 -0.691 1122 1HB ASP 146 2HB ASP 146 6.276 24.781 0.658 1123 2HB ASP 146 3HB ASP 146 6.069 25.838 -0.746 1124 H SER 147 H SER 147 4.342 22.136 -0.287 1125 HA SER 147 HA SER 147 5.377 21.715 -3.030 1126 1HB SER 147 2HB SER 147 6.288 19.612 -1.760 1127 2HB SER 147 3HB SER 147 7.011 21.178 -1.323 1128 HG SER 147 HG SER 147 6.165 19.783 0.461 1129 H ILE 148 H ILE 148 2.581 21.550 -1.479 1130 HA ILE 148 HA ILE 148 1.763 18.811 -2.126 1131 HB ILE 148 HB ILE 148 0.115 21.203 -1.276 1132 1HG1 ILE 148 2HG1 ILE 148 1.670 20.428 0.461 1133 2HG1 ILE 148 3HG1 ILE 148 0.003 20.060 0.881 1134 1HG2 ILE 148 1HG2 ILE 148 -0.706 18.324 -1.815 1135 2HG2 ILE 148 2HG2 ILE 148 -1.591 19.366 -0.681 1136 3HG2 ILE 148 3HG2 ILE 148 -1.475 19.816 -2.375 1137 1HD1 ILE 148 1HD1 ILE 148 1.266 18.136 1.486 1138 2HD1 ILE 148 2HD1 ILE 148 0.422 17.668 0.020 1139 3HD1 ILE 148 3HD1 ILE 148 2.146 18.107 -0.045 1140 H GLU 149 H GLU 149 2.662 18.870 -4.256 1141 HA GLU 149 HA GLU 149 1.312 19.920 -6.534 1142 1HB GLU 149 2HB GLU 149 2.877 17.391 -5.904 1143 2HB GLU 149 3HB GLU 149 2.099 17.568 -7.473 1144 1HG GLU 149 2HG GLU 149 3.915 19.780 -6.482 1145 2HG GLU 149 3HG GLU 149 4.573 18.309 -7.217 1146 H GLY 150 H GLY 150 -0.994 19.948 -6.154 1147 1HA GLY 150 2HA GLY 150 -2.277 17.816 -7.401 1148 2HA GLY 150 3HA GLY 150 -2.436 17.463 -5.675 1149 H ARG 151 H ARG 151 -2.864 20.039 -4.604 1150 HA ARG 151 HA ARG 151 -5.740 20.072 -5.357 1151 1HB ARG 151 2HB ARG 151 -4.641 19.273 -3.072 1152 2HB ARG 151 3HB ARG 151 -4.660 20.995 -2.697 1153 1HG ARG 151 2HG ARG 151 -7.063 19.302 -3.556 1154 2HG ARG 151 3HG ARG 151 -6.612 19.654 -1.885 1155 1HD ARG 151 2HD ARG 151 -6.840 22.113 -2.378 1156 2HD ARG 151 3HD ARG 151 -7.523 21.725 -3.942 1157 HE ARG 151 HE ARG 151 -8.764 21.505 -1.316 1158 1HH1 ARG 151 2HH2 ARG 151 -8.904 20.378 -4.642 1159 2HH1 ARG 151 1HH2 ARG 151 -10.525 19.755 -4.559 1160 1HH2 ARG 151 2HH1 ARG 151 -10.903 20.647 -1.118 1161 2HH2 ARG 151 1HH1 ARG 151 -11.693 19.922 -2.481 Start of MODEL 16 1 1H MET 1 H1 MET 1 5.860 -20.049 11.141 2 2H MET 1 H2 MET 1 6.170 -18.428 11.231 3 3H MET 1 H3 MET 1 4.665 -18.922 10.807 4 HA MET 1 HA MET 1 5.915 -18.098 8.993 5 1HB MET 1 2HB MET 1 7.840 -19.257 8.125 6 2HB MET 1 3HB MET 1 8.141 -18.686 9.765 7 1HG MET 1 2HG MET 1 7.362 -21.551 9.067 8 2HG MET 1 3HG MET 1 9.017 -20.975 9.266 9 1HE MET 1 1HE MET 1 7.750 -23.487 10.802 10 2HE MET 1 2HE MET 1 9.443 -22.953 10.939 11 3HE MET 1 3HE MET 1 8.482 -23.234 12.406 12 H LEU 2 H LEU 2 4.044 -20.812 9.874 13 HA LEU 2 HA LEU 2 3.746 -21.894 7.214 14 1HB LEU 2 2HB LEU 2 2.022 -21.835 9.715 15 2HB LEU 2 3HB LEU 2 1.340 -22.267 8.149 16 HG LEU 2 HG LEU 2 3.073 -24.035 7.853 17 1HD1 LEU 2 1HD1 LEU 2 4.795 -23.266 9.446 18 2HD1 LEU 2 2HD1 LEU 2 3.652 -23.457 10.797 19 3HD1 LEU 2 3HD1 LEU 2 4.218 -24.876 9.892 20 1HD2 LEU 2 1HD2 LEU 2 1.935 -25.622 9.351 21 2HD2 LEU 2 2HD2 LEU 2 1.248 -24.271 10.281 22 3HD2 LEU 2 3HD2 LEU 2 0.779 -24.522 8.585 23 H SER 3 H SER 3 3.374 -20.537 5.560 24 HA SER 3 HA SER 3 2.258 -19.132 4.184 25 1HB SER 3 2HB SER 3 -0.039 -19.343 6.178 26 2HB SER 3 3HB SER 3 -0.141 -18.953 4.460 27 HG SER 3 HG SER 3 0.656 -21.043 4.000 28 H GLU 4 H GLU 4 3.926 -17.522 4.910 29 HA GLU 4 HA GLU 4 3.121 -15.295 6.598 30 1HB GLU 4 2HB GLU 4 5.329 -15.709 4.545 31 2HB GLU 4 3HB GLU 4 5.153 -14.242 5.501 32 1HG GLU 4 2HG GLU 4 5.454 -16.991 6.795 33 2HG GLU 4 3HG GLU 4 6.822 -15.956 6.375 34 H GLN 5 H GLN 5 0.941 -15.533 5.243 35 HA GLN 5 HA GLN 5 0.837 -13.955 2.783 36 1HB GLN 5 2HB GLN 5 -1.404 -14.627 4.764 37 2HB GLN 5 3HB GLN 5 -1.573 -14.035 3.103 38 1HG GLN 5 2HG GLN 5 -0.601 -16.756 4.012 39 2HG GLN 5 3HG GLN 5 -2.040 -16.379 3.063 40 1HE2 GLN 5 1HE2 GLN 5 1.246 -17.283 2.887 41 2HE2 GLN 5 2HE2 GLN 5 1.604 -16.851 1.243 42 H LYS 6 H LYS 6 -0.170 -11.856 2.715 43 HA LYS 6 HA LYS 6 -0.271 -10.399 5.304 44 1HB LYS 6 2HB LYS 6 1.001 -8.526 4.378 45 2HB LYS 6 3HB LYS 6 1.955 -10.007 4.424 46 1HG LYS 6 2HG LYS 6 2.496 -9.165 2.343 47 2HG LYS 6 3HG LYS 6 1.272 -10.352 1.935 48 1HD LYS 6 2HD LYS 6 0.056 -8.749 0.911 49 2HD LYS 6 3HD LYS 6 -0.171 -7.957 2.468 50 1HE LYS 6 2HE LYS 6 2.081 -6.901 2.217 51 2HE LYS 6 3HE LYS 6 2.054 -7.422 0.513 52 1HZ LYS 6 1HZ LYS 6 -0.034 -5.795 1.840 53 2HZ LYS 6 2HZ LYS 6 1.175 -5.122 0.953 54 3HZ LYS 6 3HZ LYS 6 0.092 -6.114 0.212 55 H GLU 7 H GLU 7 -1.837 -8.876 5.368 56 HA GLU 7 HA GLU 7 -3.819 -8.839 3.208 57 1HB GLU 7 2HB GLU 7 -5.215 -7.684 4.818 58 2HB GLU 7 3HB GLU 7 -4.515 -9.139 5.528 59 1HG GLU 7 2HG GLU 7 -2.677 -7.455 6.475 60 2HG GLU 7 3HG GLU 7 -3.950 -6.266 6.182 61 H ILE 8 H ILE 8 -4.470 -6.928 2.202 62 HA ILE 8 HA ILE 8 -3.201 -4.388 3.060 63 HB ILE 8 HB ILE 8 -1.719 -5.016 1.349 64 1HG1 ILE 8 2HG1 ILE 8 -3.506 -3.062 -0.052 65 2HG1 ILE 8 3HG1 ILE 8 -2.521 -2.654 1.371 66 1HG2 ILE 8 1HG2 ILE 8 -4.095 -5.626 -0.450 67 2HG2 ILE 8 2HG2 ILE 8 -2.437 -5.491 -0.990 68 3HG2 ILE 8 3HG2 ILE 8 -2.868 -6.738 0.189 69 1HD1 ILE 8 1HD1 ILE 8 -0.473 -3.356 0.153 70 2HD1 ILE 8 2HD1 ILE 8 -1.445 -3.633 -1.312 71 3HD1 ILE 8 3HD1 ILE 8 -1.323 -2.018 -0.625 72 H ALA 9 H ALA 9 -4.971 -3.288 3.740 73 HA ALA 9 HA ALA 9 -7.502 -3.532 2.189 74 1HB ALA 9 1HB ALA 9 -8.590 -2.479 3.998 75 2HB ALA 9 2HB ALA 9 -7.541 -3.732 4.703 76 3HB ALA 9 3HB ALA 9 -7.065 -2.016 4.750 77 H MET 10 H MET 10 -8.006 -1.990 0.724 78 HA MET 10 HA MET 10 -6.957 0.765 1.050 79 1HB MET 10 2HB MET 10 -6.433 -1.002 -1.385 80 2HB MET 10 3HB MET 10 -6.286 0.753 -1.396 81 1HG MET 10 2HG MET 10 -4.567 0.566 0.465 82 2HG MET 10 3HG MET 10 -4.691 -1.190 0.315 83 1HE MET 10 1HE MET 10 -4.480 1.797 -2.143 84 2HE MET 10 2HE MET 10 -3.096 2.048 -1.044 85 3HE MET 10 3HE MET 10 -2.834 1.632 -2.754 86 H GLN 11 H GLN 11 -7.955 2.217 -0.557 87 HA GLN 11 HA GLN 11 -10.793 1.494 -1.046 88 1HB GLN 11 2HB GLN 11 -10.019 3.443 0.438 89 2HB GLN 11 3HB GLN 11 -9.647 4.290 -1.072 90 1HG GLN 11 2HG GLN 11 -12.177 3.377 -1.626 91 2HG GLN 11 3HG GLN 11 -12.275 3.557 0.134 92 1HE2 GLN 11 1HE2 GLN 11 -12.525 5.710 0.970 93 2HE2 GLN 11 2HE2 GLN 11 -12.530 7.097 -0.102 94 H VAL 12 H VAL 12 -11.469 1.314 -3.093 95 HA VAL 12 HA VAL 12 -9.915 2.369 -5.367 96 HB VAL 12 HB VAL 12 -9.352 0.035 -5.292 97 1HG1 VAL 12 1HG1 VAL 12 -10.876 -0.847 -3.657 98 2HG1 VAL 12 2HG1 VAL 12 -12.267 -0.470 -4.644 99 3HG1 VAL 12 3HG1 VAL 12 -11.159 -1.750 -5.155 100 1HG2 VAL 12 1HG2 VAL 12 -11.744 0.231 -7.167 101 2HG2 VAL 12 2HG2 VAL 12 -10.086 0.768 -7.537 102 3HG2 VAL 12 3HG2 VAL 12 -10.434 -0.941 -7.245 103 H SER 13 H SER 13 -11.259 2.876 -7.165 104 HA SER 13 HA SER 13 -14.182 3.142 -6.558 105 1HB SER 13 2HB SER 13 -12.671 4.897 -8.463 106 2HB SER 13 3HB SER 13 -14.240 5.186 -7.714 107 HG SER 13 HG SER 13 -11.777 5.096 -6.292 108 H GLY 14 H GLY 14 -15.465 3.242 -8.545 109 1HA GLY 14 2HA GLY 14 -15.731 2.763 -10.906 110 2HA GLY 14 3HA GLY 14 -14.454 1.548 -10.804 111 H MET 15 H MET 15 -15.931 1.159 -7.913 112 HA MET 15 HA MET 15 -17.340 -1.210 -8.829 113 1HB MET 15 2HB MET 15 -17.304 -0.030 -6.058 114 2HB MET 15 3HB MET 15 -17.994 -1.586 -6.541 115 1HG MET 15 2HG MET 15 -15.930 -2.388 -5.972 116 2HG MET 15 3HG MET 15 -15.549 -1.933 -7.626 117 1HE MET 15 1HE MET 15 -16.012 -0.114 -4.197 118 2HE MET 15 2HE MET 15 -14.903 -1.475 -3.907 119 3HE MET 15 3HE MET 15 -14.321 0.193 -3.760 120 H THR 16 H THR 16 -18.957 -0.899 -10.117 121 HA THR 16 HA THR 16 -21.120 0.896 -9.852 122 HB THR 16 HB THR 16 -21.105 -1.918 -11.024 123 HG1 THR 16 1HG THR 16 -19.479 -0.454 -11.861 124 1HG2 THR 16 1HG2 THR 16 -23.398 -1.112 -10.917 125 2HG2 THR 16 2HG2 THR 16 -22.910 0.460 -11.597 126 3HG2 THR 16 3HG2 THR 16 -22.812 -1.015 -12.582 127 H CYS 17 H CYS 17 -20.322 -1.879 -7.934 128 HA CYS 17 HA CYS 17 -21.062 -2.413 -5.896 129 1HB CYS 17 2HB CYS 17 -21.785 -0.021 -5.661 130 2HB CYS 17 3HB CYS 17 -23.430 -0.516 -6.129 131 HG CYS 17 HG CYS 17 -23.761 -2.272 -4.288 132 H ALA 18 H ALA 18 -21.819 -3.624 -8.433 133 HA ALA 18 HA ALA 18 -23.313 -5.804 -7.287 134 1HB ALA 18 1HB ALA 18 -24.952 -5.885 -9.186 135 2HB ALA 18 2HB ALA 18 -25.220 -4.474 -8.143 136 3HB ALA 18 3HB ALA 18 -24.406 -4.278 -9.710 137 H ALA 19 H ALA 19 -22.063 -7.495 -8.020 138 HA ALA 19 HA ALA 19 -20.687 -8.786 -9.201 139 1HB ALA 19 1HB ALA 19 -22.456 -8.556 -10.904 140 2HB ALA 19 2HB ALA 19 -21.555 -7.211 -11.645 141 3HB ALA 19 3HB ALA 19 -20.850 -8.837 -11.604 142 H CYS 20 H CYS 20 -19.993 -5.338 -9.614 143 HA CYS 20 HA CYS 20 -17.659 -5.506 -11.132 144 1HB CYS 20 2HB CYS 20 -18.962 -3.531 -9.262 145 2HB CYS 20 3HB CYS 20 -17.253 -3.279 -9.616 146 HG CYS 20 HG CYS 20 -17.355 -3.029 -12.093 147 H ALA 21 H ALA 21 -18.020 -5.150 -7.629 148 HA ALA 21 HA ALA 21 -15.449 -5.688 -6.668 149 1HB ALA 21 1HB ALA 21 -18.264 -6.113 -5.704 150 2HB ALA 21 2HB ALA 21 -16.982 -6.969 -4.848 151 3HB ALA 21 3HB ALA 21 -16.907 -5.201 -4.992 152 H ALA 22 H ALA 22 -18.049 -8.105 -7.395 153 HA ALA 22 HA ALA 22 -16.473 -10.404 -6.795 154 1HB ALA 22 1HB ALA 22 -18.773 -10.217 -8.778 155 2HB ALA 22 2HB ALA 22 -18.164 -11.669 -7.964 156 3HB ALA 22 3HB ALA 22 -18.951 -10.393 -7.014 157 H ARG 23 H ARG 23 -16.735 -8.535 -9.825 158 HA ARG 23 HA ARG 23 -15.258 -10.319 -11.431 159 1HB ARG 23 2HB ARG 23 -16.309 -7.558 -11.577 160 2HB ARG 23 3HB ARG 23 -14.713 -7.652 -12.294 161 1HG ARG 23 2HG ARG 23 -17.128 -9.358 -12.975 162 2HG ARG 23 3HG ARG 23 -16.452 -8.013 -13.912 163 1HD ARG 23 2HD ARG 23 -14.219 -9.628 -13.547 164 2HD ARG 23 3HD ARG 23 -15.468 -10.844 -13.649 165 HE ARG 23 HE ARG 23 -14.305 -9.271 -15.759 166 1HH1 ARG 23 2HH2 ARG 23 -17.460 -10.456 -14.791 167 2HH1 ARG 23 1HH2 ARG 23 -18.151 -10.472 -16.386 168 1HH2 ARG 23 2HH1 ARG 23 -15.169 -9.230 -17.908 169 2HH2 ARG 23 1HH1 ARG 23 -16.792 -9.751 -18.207 170 H ILE 24 H ILE 24 -14.244 -7.629 -9.257 171 HA ILE 24 HA ILE 24 -11.443 -7.898 -9.858 172 HB ILE 24 HB ILE 24 -12.922 -6.739 -7.477 173 1HG1 ILE 24 2HG1 ILE 24 -11.320 -5.266 -9.599 174 2HG1 ILE 24 3HG1 ILE 24 -12.984 -5.714 -9.967 175 1HG2 ILE 24 1HG2 ILE 24 -10.892 -5.697 -6.792 176 2HG2 ILE 24 2HG2 ILE 24 -10.722 -7.451 -6.776 177 3HG2 ILE 24 3HG2 ILE 24 -10.003 -6.495 -8.102 178 1HD1 ILE 24 1HD1 ILE 24 -12.588 -3.409 -9.038 179 2HD1 ILE 24 2HD1 ILE 24 -13.901 -4.356 -8.297 180 3HD1 ILE 24 3HD1 ILE 24 -12.339 -4.140 -7.458 181 H GLU 25 H GLU 25 -13.512 -9.203 -7.142 182 HA GLU 25 HA GLU 25 -11.472 -10.603 -5.854 183 1HB GLU 25 2HB GLU 25 -14.390 -11.463 -6.125 184 2HB GLU 25 3HB GLU 25 -13.225 -12.074 -4.940 185 1HG GLU 25 2HG GLU 25 -12.904 -9.773 -4.063 186 2HG GLU 25 3HG GLU 25 -14.165 -9.200 -5.178 187 H LYS 26 H LYS 26 -13.615 -11.817 -8.476 188 HA LYS 26 HA LYS 26 -12.365 -14.341 -8.636 189 1HB LYS 26 2HB LYS 26 -14.663 -13.597 -9.558 190 2HB LYS 26 3HB LYS 26 -13.754 -13.044 -10.980 191 1HG LYS 26 2HG LYS 26 -12.594 -15.443 -10.688 192 2HG LYS 26 3HG LYS 26 -14.073 -15.854 -9.842 193 1HD LYS 26 2HD LYS 26 -13.955 -14.737 -12.692 194 2HD LYS 26 3HD LYS 26 -13.855 -16.460 -12.303 195 1HE LYS 26 2HE LYS 26 -16.088 -16.278 -11.115 196 2HE LYS 26 3HE LYS 26 -16.229 -14.627 -11.743 197 1HZ LYS 26 1HZ LYS 26 -15.975 -17.092 -13.355 198 2HZ LYS 26 2HZ LYS 26 -17.354 -16.237 -13.128 199 3HZ LYS 26 3HZ LYS 26 -16.110 -15.574 -13.972 200 H GLY 27 H GLY 27 -11.810 -11.321 -10.509 201 1HA GLY 27 2HA GLY 27 -9.917 -12.302 -12.363 202 2HA GLY 27 3HA GLY 27 -10.064 -10.628 -11.792 203 H LEU 28 H LEU 28 -9.515 -10.969 -9.074 204 HA LEU 28 HA LEU 28 -6.632 -11.193 -9.096 205 1HB LEU 28 2HB LEU 28 -8.739 -10.497 -7.025 206 2HB LEU 28 3HB LEU 28 -7.098 -10.856 -6.516 207 HG LEU 28 HG LEU 28 -7.508 -8.400 -6.807 208 1HD1 LEU 28 1HD1 LEU 28 -5.441 -7.924 -7.833 209 2HD1 LEU 28 2HD1 LEU 28 -5.240 -9.474 -6.990 210 3HD1 LEU 28 3HD1 LEU 28 -5.407 -9.433 -8.752 211 1HD2 LEU 28 1HD2 LEU 28 -7.623 -7.363 -8.949 212 2HD2 LEU 28 2HD2 LEU 28 -7.747 -8.935 -9.771 213 3HD2 LEU 28 3HD2 LEU 28 -9.016 -8.381 -8.682 214 H LYS 29 H LYS 29 -9.300 -13.259 -7.864 215 HA LYS 29 HA LYS 29 -7.671 -15.196 -6.645 216 1HB LYS 29 2HB LYS 29 -10.383 -14.975 -6.984 217 2HB LYS 29 3HB LYS 29 -10.027 -16.192 -8.202 218 1HG LYS 29 2HG LYS 29 -10.448 -17.473 -6.276 219 2HG LYS 29 3HG LYS 29 -8.688 -17.372 -6.289 220 1HD LYS 29 2HD LYS 29 -9.044 -16.734 -4.074 221 2HD LYS 29 3HD LYS 29 -9.117 -15.159 -4.847 222 1HE LYS 29 2HE LYS 29 -11.005 -15.084 -3.495 223 2HE LYS 29 3HE LYS 29 -11.698 -15.564 -5.047 224 1HZ LYS 29 1HZ LYS 29 -11.036 -17.331 -2.771 225 2HZ LYS 29 2HZ LYS 29 -12.539 -16.892 -3.258 226 3HZ LYS 29 3HZ LYS 29 -11.621 -17.868 -4.215 227 H ARG 30 H ARG 30 -7.968 -14.472 -10.024 228 HA ARG 30 HA ARG 30 -7.058 -16.921 -11.119 229 1HB ARG 30 2HB ARG 30 -7.905 -14.560 -12.155 230 2HB ARG 30 3HB ARG 30 -6.168 -14.304 -12.296 231 1HG ARG 30 2HG ARG 30 -6.766 -15.235 -14.350 232 2HG ARG 30 3HG ARG 30 -6.172 -16.656 -13.480 233 1HD ARG 30 2HD ARG 30 -8.496 -17.279 -12.879 234 2HD ARG 30 3HD ARG 30 -9.138 -15.832 -13.633 235 HE ARG 30 HE ARG 30 -8.333 -18.322 -14.886 236 1HH1 ARG 30 2HH2 ARG 30 -8.633 -14.872 -15.488 237 2HH1 ARG 30 1HH2 ARG 30 -8.954 -15.013 -17.191 238 1HH2 ARG 30 2HH1 ARG 30 -8.760 -18.575 -17.149 239 2HH2 ARG 30 1HH1 ARG 30 -9.010 -17.188 -18.155 240 H MET 31 H MET 31 -5.306 -14.462 -9.284 241 HA MET 31 HA MET 31 -2.668 -15.219 -10.295 242 1HB MET 31 2HB MET 31 -3.555 -13.518 -7.950 243 2HB MET 31 3HB MET 31 -1.886 -13.656 -8.485 244 1HG MET 31 2HG MET 31 -3.883 -12.744 -10.545 245 2HG MET 31 3HG MET 31 -3.555 -11.672 -9.192 246 1HE MET 31 1HE MET 31 -2.004 -13.390 -12.372 247 2HE MET 31 2HE MET 31 -0.318 -12.828 -12.276 248 3HE MET 31 3HE MET 31 -0.912 -14.020 -11.112 249 HA PRO 32 HA PRO 32 -2.206 -18.610 -7.510 250 1HB PRO 32 2HB PRO 32 0.513 -18.817 -7.211 251 2HB PRO 32 3HB PRO 32 -0.351 -19.216 -8.722 252 1HG PRO 32 2HG PRO 32 1.082 -16.641 -8.033 253 2HG PRO 32 3HG PRO 32 1.192 -17.591 -9.539 254 1HD PRO 32 2HD PRO 32 -0.427 -15.409 -9.311 255 2HD PRO 32 3HD PRO 32 -0.922 -16.832 -10.282 256 H GLY 33 H GLY 33 -0.178 -15.716 -6.548 257 1HA GLY 33 2HA GLY 33 0.127 -16.644 -3.870 258 2HA GLY 33 3HA GLY 33 0.487 -15.030 -4.498 259 H VAL 34 H VAL 34 -2.571 -15.195 -5.459 260 HA VAL 34 HA VAL 34 -3.607 -13.638 -3.235 261 HB VAL 34 HB VAL 34 -4.722 -14.603 -5.868 262 1HG1 VAL 34 1HG1 VAL 34 -6.234 -13.322 -3.564 263 2HG1 VAL 34 2HG1 VAL 34 -6.795 -13.328 -5.257 264 3HG1 VAL 34 3HG1 VAL 34 -6.608 -14.852 -4.390 265 1HG2 VAL 34 1HG2 VAL 34 -4.893 -12.163 -6.239 266 2HG2 VAL 34 2HG2 VAL 34 -4.376 -11.848 -4.578 267 3HG2 VAL 34 3HG2 VAL 34 -3.241 -12.564 -5.740 268 H THR 35 H THR 35 -3.953 -14.556 -1.367 269 HA THR 35 HA THR 35 -4.741 -17.381 -1.258 270 HB THR 35 HB THR 35 -3.949 -15.408 0.894 271 HG1 THR 35 1HG THR 35 -2.167 -16.291 -0.055 272 1HG2 THR 35 1HG2 THR 35 -4.882 -18.310 1.119 273 2HG2 THR 35 2HG2 THR 35 -4.066 -17.407 2.406 274 3HG2 THR 35 3HG2 THR 35 -5.671 -16.897 1.863 275 H ASP 36 H ASP 36 -5.970 -14.099 -0.298 276 HA ASP 36 HA ASP 36 -8.722 -15.089 -0.656 277 1HB ASP 36 2HB ASP 36 -8.083 -15.774 1.644 278 2HB ASP 36 3HB ASP 36 -7.731 -14.090 2.045 279 H ALA 37 H ALA 37 -9.216 -13.621 -2.168 280 HA ALA 37 HA ALA 37 -8.512 -10.752 -1.835 281 1HB ALA 37 1HB ALA 37 -7.904 -11.703 -3.980 282 2HB ALA 37 2HB ALA 37 -9.551 -12.327 -4.223 283 3HB ALA 37 3HB ALA 37 -9.252 -10.578 -4.198 284 H ASN 38 H ASN 38 -10.074 -9.503 -0.798 285 HA ASN 38 HA ASN 38 -12.941 -10.152 -1.339 286 1HB ASN 38 2HB ASN 38 -11.595 -9.430 1.286 287 2HB ASN 38 3HB ASN 38 -13.345 -9.385 1.019 288 1HD2 ASN 38 1HD2 ASN 38 -10.479 -11.539 0.916 289 2HD2 ASN 38 2HD2 ASN 38 -11.356 -13.037 1.145 290 H VAL 39 H VAL 39 -14.268 -8.308 -1.610 291 HA VAL 39 HA VAL 39 -13.120 -5.716 -0.777 292 HB VAL 39 HB VAL 39 -12.371 -5.724 -3.016 293 1HG1 VAL 39 1HG1 VAL 39 -13.512 -7.530 -3.954 294 2HG1 VAL 39 2HG1 VAL 39 -15.085 -6.728 -3.827 295 3HG1 VAL 39 3HG1 VAL 39 -13.850 -6.129 -4.967 296 1HG2 VAL 39 1HG2 VAL 39 -13.506 -3.595 -2.335 297 2HG2 VAL 39 2HG2 VAL 39 -13.530 -3.890 -4.078 298 3HG2 VAL 39 3HG2 VAL 39 -14.991 -4.171 -3.116 299 H ASN 40 H ASN 40 -14.391 -4.609 0.388 300 HA ASN 40 HA ASN 40 -17.285 -5.209 0.519 301 1HB ASN 40 2HB ASN 40 -15.432 -3.338 2.045 302 2HB ASN 40 3HB ASN 40 -17.197 -3.288 2.176 303 1HD2 ASN 40 1HD2 ASN 40 -18.279 -4.678 3.523 304 2HD2 ASN 40 2HD2 ASN 40 -17.464 -5.975 4.374 305 H LEU 41 H LEU 41 -17.646 -4.649 -1.685 306 HA LEU 41 HA LEU 41 -17.559 -2.098 -2.863 307 1HB LEU 41 2HB LEU 41 -19.735 -2.688 -3.941 308 2HB LEU 41 3HB LEU 41 -18.429 -3.815 -4.219 309 HG LEU 41 HG LEU 41 -20.438 -4.364 -2.080 310 1HD1 LEU 41 1HD1 LEU 41 -21.738 -5.692 -3.768 311 2HD1 LEU 41 2HD1 LEU 41 -21.786 -3.954 -4.057 312 3HD1 LEU 41 3HD1 LEU 41 -20.730 -4.979 -5.049 313 1HD2 LEU 41 1HD2 LEU 41 -19.469 -6.411 -1.939 314 2HD2 LEU 41 2HD2 LEU 41 -19.574 -6.659 -3.684 315 3HD2 LEU 41 3HD2 LEU 41 -18.183 -5.833 -3.016 316 H ALA 42 H ALA 42 -19.371 -3.128 -0.104 317 HA ALA 42 HA ALA 42 -21.421 -1.100 -0.179 318 1HB ALA 42 1HB ALA 42 -21.734 -3.276 0.950 319 2HB ALA 42 2HB ALA 42 -20.451 -2.860 2.113 320 3HB ALA 42 3HB ALA 42 -21.957 -1.921 2.075 321 H THR 43 H THR 43 -18.093 -1.158 0.978 322 HA THR 43 HA THR 43 -18.499 1.589 2.095 323 HB THR 43 HB THR 43 -16.918 1.130 3.884 324 HG1 THR 43 1HG THR 43 -17.042 -1.538 2.943 325 1HG2 THR 43 1HG2 THR 43 -18.313 -0.257 5.315 326 2HG2 THR 43 2HG2 THR 43 -19.367 0.748 4.300 327 3HG2 THR 43 3HG2 THR 43 -19.140 -0.971 3.922 328 H GLU 44 H GLU 44 -17.481 0.107 -0.443 329 HA GLU 44 HA GLU 44 -15.832 0.185 -1.921 330 1HB GLU 44 2HB GLU 44 -15.627 3.041 -0.867 331 2HB GLU 44 3HB GLU 44 -14.904 2.476 -2.379 332 1HG GLU 44 2HG GLU 44 -17.119 1.902 -3.274 333 2HG GLU 44 3HG GLU 44 -17.893 2.391 -1.755 334 H THR 45 H THR 45 -14.732 -1.410 -0.204 335 HA THR 45 HA THR 45 -11.961 -0.368 0.094 336 HB THR 45 HB THR 45 -13.727 -1.452 2.318 337 HG1 THR 45 1HG THR 45 -13.136 0.917 1.404 338 1HG2 THR 45 1HG2 THR 45 -11.664 -1.222 3.731 339 2HG2 THR 45 2HG2 THR 45 -11.574 -2.523 2.524 340 3HG2 THR 45 3HG2 THR 45 -10.720 -0.983 2.243 341 H VAL 46 H VAL 46 -10.677 -1.728 -0.956 342 HA VAL 46 HA VAL 46 -11.466 -4.536 -1.347 343 HB VAL 46 HB VAL 46 -10.958 -3.326 -3.359 344 1HG1 VAL 46 1HG1 VAL 46 -8.087 -2.943 -2.325 345 2HG1 VAL 46 2HG1 VAL 46 -8.731 -2.473 -3.903 346 3HG1 VAL 46 3HG1 VAL 46 -9.262 -1.637 -2.443 347 1HG2 VAL 46 1HG2 VAL 46 -10.021 -5.124 -4.262 348 2HG2 VAL 46 2HG2 VAL 46 -8.531 -4.945 -3.325 349 3HG2 VAL 46 3HG2 VAL 46 -9.923 -5.783 -2.618 350 H ASN 47 H ASN 47 -10.618 -6.025 -0.012 351 HA ASN 47 HA ASN 47 -8.089 -5.386 1.400 352 1HB ASN 47 2HB ASN 47 -8.850 -6.614 3.312 353 2HB ASN 47 3HB ASN 47 -9.848 -5.192 3.002 354 1HD2 ASN 47 1HD2 ASN 47 -10.125 -8.240 4.128 355 2HD2 ASN 47 2HD2 ASN 47 -11.737 -8.609 3.543 356 H VAL 48 H VAL 48 -6.689 -6.444 0.187 357 HA VAL 48 HA VAL 48 -7.433 -9.176 -0.791 358 HB VAL 48 HB VAL 48 -5.038 -7.645 -1.788 359 1HG1 VAL 48 1HG1 VAL 48 -6.924 -9.594 -3.180 360 2HG1 VAL 48 2HG1 VAL 48 -5.329 -9.070 -3.725 361 3HG1 VAL 48 3HG1 VAL 48 -5.480 -10.134 -2.313 362 1HG2 VAL 48 1HG2 VAL 48 -6.837 -6.060 -2.157 363 2HG2 VAL 48 2HG2 VAL 48 -6.468 -6.855 -3.691 364 3HG2 VAL 48 3HG2 VAL 48 -7.904 -7.351 -2.771 365 H ILE 49 H ILE 49 -6.446 -10.941 0.134 366 HA ILE 49 HA ILE 49 -3.997 -10.447 1.735 367 HB ILE 49 HB ILE 49 -6.063 -12.649 1.943 368 1HG1 ILE 49 2HG1 ILE 49 -5.378 -10.532 4.008 369 2HG1 ILE 49 3HG1 ILE 49 -6.660 -10.273 2.823 370 1HG2 ILE 49 1HG2 ILE 49 -3.817 -13.512 2.478 371 2HG2 ILE 49 2HG2 ILE 49 -3.518 -12.134 3.551 372 3HG2 ILE 49 3HG2 ILE 49 -4.742 -13.349 3.963 373 1HD1 ILE 49 1HD1 ILE 49 -6.632 -12.521 4.863 374 2HD1 ILE 49 2HD1 ILE 49 -7.619 -11.050 4.890 375 3HD1 ILE 49 3HD1 ILE 49 -7.868 -12.250 3.610 376 H TYR 50 H TYR 50 -2.143 -11.285 0.890 377 HA TYR 50 HA TYR 50 -2.259 -13.666 -0.805 378 1HB TYR 50 2HB TYR 50 -1.141 -12.474 -2.755 379 2HB TYR 50 3HB TYR 50 -2.774 -11.902 -2.446 380 HD1 TYR 50 HD1 TYR 50 0.827 -10.969 -1.978 381 HD2 TYR 50 HD2 TYR 50 -3.292 -9.715 -1.970 382 HE1 TYR 50 HE1 TYR 50 1.539 -8.614 -1.693 383 HE2 TYR 50 HE2 TYR 50 -2.583 -7.387 -2.014 384 HH TYR 50 HH TYR 50 -0.648 -5.910 -1.959 385 H ASP 51 H ASP 51 -0.043 -14.157 -1.707 386 HA ASP 51 HA ASP 51 1.807 -13.990 0.530 387 1HB ASP 51 2HB ASP 51 1.236 -16.101 -0.811 388 2HB ASP 51 3HB ASP 51 2.203 -15.432 -2.131 389 HA PRO 52 HA PRO 52 3.860 -10.652 -1.684 390 1HB PRO 52 2HB PRO 52 5.667 -9.852 0.204 391 2HB PRO 52 3HB PRO 52 3.912 -9.714 0.478 392 1HG PRO 52 2HG PRO 52 5.733 -11.973 1.394 393 2HG PRO 52 3HG PRO 52 4.609 -11.020 2.403 394 1HD PRO 52 2HD PRO 52 3.952 -13.439 1.305 395 2HD PRO 52 3HD PRO 52 2.742 -12.144 1.519 396 H ALA 53 H ALA 53 4.623 -13.448 -2.273 397 HA ALA 53 HA ALA 53 7.263 -12.896 -3.415 398 1HB ALA 53 1HB ALA 53 8.380 -14.827 -2.364 399 2HB ALA 53 2HB ALA 53 7.840 -13.698 -1.103 400 3HB ALA 53 3HB ALA 53 6.917 -15.187 -1.430 401 H GLU 54 H GLU 54 4.497 -13.650 -4.184 402 HA GLU 54 HA GLU 54 5.365 -15.554 -6.272 403 1HB GLU 54 2HB GLU 54 2.683 -15.669 -4.808 404 2HB GLU 54 3HB GLU 54 3.035 -16.453 -6.352 405 1HG GLU 54 2HG GLU 54 4.984 -17.629 -5.143 406 2HG GLU 54 3HG GLU 54 4.217 -17.096 -3.636 407 H THR 55 H THR 55 2.957 -13.076 -5.167 408 HA THR 55 HA THR 55 2.245 -12.569 -8.006 409 HB THR 55 HB THR 55 0.847 -12.268 -5.342 410 HG1 THR 55 1HG THR 55 -0.608 -13.660 -6.437 411 1HG2 THR 55 1HG2 THR 55 0.003 -11.253 -8.084 412 2HG2 THR 55 2HG2 THR 55 -1.088 -11.509 -6.699 413 3HG2 THR 55 3HG2 THR 55 0.229 -10.329 -6.569 414 H GLY 56 H GLY 56 1.952 -10.379 -5.180 415 1HA GLY 56 2HA GLY 56 3.717 -8.790 -4.636 416 2HA GLY 56 3HA GLY 56 4.054 -8.591 -6.358 417 H THR 57 H THR 57 2.615 -7.152 -3.893 418 HA THR 57 HA THR 57 0.190 -6.145 -4.305 419 HB THR 57 HB THR 57 1.780 -5.472 -2.582 420 HG1 THR 57 1HG THR 57 1.040 -3.056 -2.943 421 1HG2 THR 57 1HG2 THR 57 2.830 -3.382 -4.496 422 2HG2 THR 57 2HG2 THR 57 3.303 -3.731 -2.823 423 3HG2 THR 57 3HG2 THR 57 3.628 -4.930 -4.104 424 H ALA 58 H ALA 58 2.950 -5.071 -6.326 425 HA ALA 58 HA ALA 58 1.555 -3.115 -7.808 426 1HB ALA 58 1HB ALA 58 3.364 -3.373 -9.458 427 2HB ALA 58 2HB ALA 58 4.003 -3.327 -7.804 428 3HB ALA 58 3HB ALA 58 3.888 -4.878 -8.671 429 H ALA 59 H ALA 59 1.773 -6.680 -8.310 430 HA ALA 59 HA ALA 59 0.406 -6.588 -10.886 431 1HB ALA 59 1HB ALA 59 1.960 -8.397 -10.309 432 2HB ALA 59 2HB ALA 59 0.888 -8.897 -8.977 433 3HB ALA 59 3HB ALA 59 0.322 -8.995 -10.661 434 H ILE 60 H ILE 60 -0.439 -6.912 -7.464 435 HA ILE 60 HA ILE 60 -3.147 -7.774 -7.794 436 HB ILE 60 HB ILE 60 -2.129 -5.915 -5.620 437 1HG1 ILE 60 2HG1 ILE 60 -0.683 -8.019 -5.831 438 2HG1 ILE 60 3HG1 ILE 60 -1.429 -7.668 -4.301 439 1HG2 ILE 60 1HG2 ILE 60 -3.815 -6.955 -4.216 440 2HG2 ILE 60 2HG2 ILE 60 -4.506 -6.056 -5.582 441 3HG2 ILE 60 3HG2 ILE 60 -4.444 -7.827 -5.626 442 1HD1 ILE 60 1HD1 ILE 60 -3.105 -9.385 -4.644 443 2HD1 ILE 60 2HD1 ILE 60 -2.498 -9.669 -6.298 444 3HD1 ILE 60 3HD1 ILE 60 -1.476 -10.024 -4.874 445 H GLN 61 H GLN 61 -1.686 -4.497 -7.408 446 HA GLN 61 HA GLN 61 -4.140 -3.169 -7.995 447 1HB GLN 61 2HB GLN 61 -3.141 -1.188 -7.792 448 2HB GLN 61 3HB GLN 61 -2.074 -2.193 -6.806 449 1HG GLN 61 2HG GLN 61 -0.411 -2.195 -8.612 450 2HG GLN 61 3HG GLN 61 -1.508 -1.310 -9.685 451 1HE2 GLN 61 1HE2 GLN 61 -1.902 0.918 -9.301 452 2HE2 GLN 61 2HE2 GLN 61 -0.838 1.820 -8.213 453 H GLU 62 H GLU 62 -1.442 -4.237 -10.151 454 HA GLU 62 HA GLU 62 -2.339 -3.102 -12.536 455 1HB GLU 62 2HB GLU 62 -0.289 -4.591 -12.299 456 2HB GLU 62 3HB GLU 62 -1.390 -5.981 -12.260 457 1HG GLU 62 2HG GLU 62 -2.312 -4.892 -14.517 458 2HG GLU 62 3HG GLU 62 -0.714 -4.158 -14.550 459 H LYS 63 H LYS 63 -3.588 -6.074 -10.832 460 HA LYS 63 HA LYS 63 -5.306 -6.711 -13.026 461 1HB LYS 63 2HB LYS 63 -4.291 -8.086 -10.855 462 2HB LYS 63 3HB LYS 63 -5.895 -7.691 -10.286 463 1HG LYS 63 2HG LYS 63 -6.299 -9.711 -11.334 464 2HG LYS 63 3HG LYS 63 -6.604 -8.627 -12.697 465 1HD LYS 63 2HD LYS 63 -4.081 -10.221 -12.031 466 2HD LYS 63 3HD LYS 63 -5.201 -10.544 -13.365 467 1HE LYS 63 2HE LYS 63 -4.520 -8.411 -14.468 468 2HE LYS 63 3HE LYS 63 -3.478 -8.023 -13.083 469 1HZ LYS 63 1HZ LYS 63 -2.195 -9.983 -13.565 470 2HZ LYS 63 2HZ LYS 63 -2.986 -10.138 -15.020 471 3HZ LYS 63 3HZ LYS 63 -2.124 -8.768 -14.634 472 H ILE 64 H ILE 64 -5.825 -5.022 -9.897 473 HA ILE 64 HA ILE 64 -8.608 -4.510 -10.200 474 HB ILE 64 HB ILE 64 -6.393 -2.788 -8.980 475 1HG1 ILE 64 2HG1 ILE 64 -8.523 -4.558 -7.656 476 2HG1 ILE 64 3HG1 ILE 64 -6.911 -5.167 -8.023 477 1HG2 ILE 64 1HG2 ILE 64 -8.249 -1.345 -9.478 478 2HG2 ILE 64 2HG2 ILE 64 -9.399 -2.509 -8.767 479 3HG2 ILE 64 3HG2 ILE 64 -8.217 -1.647 -7.753 480 1HD1 ILE 64 1HD1 ILE 64 -7.048 -4.548 -5.698 481 2HD1 ILE 64 2HD1 ILE 64 -5.892 -3.499 -6.535 482 3HD1 ILE 64 3HD1 ILE 64 -7.504 -2.888 -6.099 483 H GLU 65 H GLU 65 -5.786 -2.615 -11.354 484 HA GLU 65 HA GLU 65 -7.301 -0.578 -12.587 485 1HB GLU 65 2HB GLU 65 -4.461 -1.595 -13.004 486 2HB GLU 65 3HB GLU 65 -5.109 -0.186 -13.847 487 1HG GLU 65 2HG GLU 65 -5.684 0.846 -11.622 488 2HG GLU 65 3HG GLU 65 -5.052 -0.558 -10.791 489 H LYS 66 H LYS 66 -5.809 -3.455 -14.114 490 HA LYS 66 HA LYS 66 -6.898 -2.939 -16.701 491 1HB LYS 66 2HB LYS 66 -5.990 -5.508 -15.362 492 2HB LYS 66 3HB LYS 66 -6.517 -5.396 -17.054 493 1HG LYS 66 2HG LYS 66 -4.752 -3.489 -17.280 494 2HG LYS 66 3HG LYS 66 -4.085 -4.127 -15.767 495 1HD LYS 66 2HD LYS 66 -4.063 -6.413 -16.839 496 2HD LYS 66 3HD LYS 66 -4.549 -5.670 -18.370 497 1HE LYS 66 2HE LYS 66 -1.973 -5.105 -16.823 498 2HE LYS 66 3HE LYS 66 -2.094 -6.159 -18.231 499 1HZ LYS 66 1HZ LYS 66 -1.278 -4.000 -18.770 500 2HZ LYS 66 2HZ LYS 66 -2.732 -4.217 -19.513 501 3HZ LYS 66 3HZ LYS 66 -2.615 -3.261 -18.171 502 H LEU 67 H LEU 67 -8.410 -4.560 -13.833 503 HA LEU 67 HA LEU 67 -10.663 -5.495 -15.341 504 1HB LEU 67 2HB LEU 67 -9.887 -5.090 -12.469 505 2HB LEU 67 3HB LEU 67 -11.571 -5.263 -12.811 506 HG LEU 67 HG LEU 67 -10.171 -7.311 -12.193 507 1HD1 LEU 67 1HD1 LEU 67 -12.555 -7.309 -12.784 508 2HD1 LEU 67 2HD1 LEU 67 -12.152 -7.381 -14.512 509 3HD1 LEU 67 3HD1 LEU 67 -11.756 -8.746 -13.440 510 1HD2 LEU 67 1HD2 LEU 67 -9.336 -8.698 -13.967 511 2HD2 LEU 67 2HD2 LEU 67 -9.713 -7.492 -15.200 512 3HD2 LEU 67 3HD2 LEU 67 -8.443 -7.178 -14.006 513 H GLY 68 H GLY 68 -9.701 -2.294 -14.660 514 1HA GLY 68 2HA GLY 68 -10.709 -0.551 -15.825 515 2HA GLY 68 3HA GLY 68 -12.283 -1.355 -15.789 516 H TYR 69 H TYR 69 -9.944 -0.742 -13.172 517 HA TYR 69 HA TYR 69 -11.896 1.063 -11.768 518 1HB TYR 69 2HB TYR 69 -10.264 -1.215 -10.608 519 2HB TYR 69 3HB TYR 69 -11.253 -0.107 -9.673 520 HD1 TYR 69 HD1 TYR 69 -13.659 -0.378 -9.535 521 HD2 TYR 69 HD2 TYR 69 -11.318 -2.855 -12.158 522 HE1 TYR 69 HE1 TYR 69 -15.642 -1.779 -10.015 523 HE2 TYR 69 HE2 TYR 69 -13.365 -4.193 -12.685 524 HH TYR 69 HH TYR 69 -15.348 -4.834 -11.790 525 H HIS 70 H HIS 70 -10.687 2.096 -9.772 526 HA HIS 70 HA HIS 70 -7.835 2.584 -10.375 527 1HB HIS 70 2HB HIS 70 -9.903 4.422 -11.204 528 2HB HIS 70 3HB HIS 70 -9.091 5.156 -9.832 529 HD1 HIS 70 1HD HIS 70 -6.380 5.590 -10.130 530 HD2 HIS 70 2HD HIS 70 -8.556 4.317 -13.506 531 HE1 HIS 70 1HE HIS 70 -4.905 6.033 -12.165 532 H VAL 71 H VAL 71 -6.612 2.924 -8.616 533 HA VAL 71 HA VAL 71 -7.883 2.605 -6.006 534 HB VAL 71 HB VAL 71 -5.651 2.266 -5.195 535 1HG1 VAL 71 1HG1 VAL 71 -6.889 0.391 -6.249 536 2HG1 VAL 71 2HG1 VAL 71 -6.070 0.730 -7.790 537 3HG1 VAL 71 3HG1 VAL 71 -5.130 0.219 -6.378 538 1HG2 VAL 71 1HG2 VAL 71 -4.657 2.840 -8.029 539 2HG2 VAL 71 2HG2 VAL 71 -4.344 3.841 -6.599 540 3HG2 VAL 71 3HG2 VAL 71 -3.690 2.206 -6.688 541 H VAL 72 H VAL 72 -8.102 4.145 -4.430 542 HA VAL 72 HA VAL 72 -7.588 6.946 -5.246 543 HB VAL 72 HB VAL 72 -9.063 5.782 -2.860 544 1HG1 VAL 72 1HG1 VAL 72 -10.112 8.024 -2.734 545 2HG1 VAL 72 2HG1 VAL 72 -8.374 8.163 -2.487 546 3HG1 VAL 72 3HG1 VAL 72 -9.077 8.598 -4.058 547 1HG2 VAL 72 1HG2 VAL 72 -9.931 6.626 -5.653 548 2HG2 VAL 72 2HG2 VAL 72 -10.220 5.075 -4.829 549 3HG2 VAL 72 3HG2 VAL 72 -11.073 6.536 -4.314 550 H THR 73 H THR 73 -5.246 6.294 -5.200 551 HA THR 73 HA THR 73 -4.074 6.385 -2.443 552 HB THR 73 HB THR 73 -3.057 4.752 -4.795 553 HG1 THR 73 1HG THR 73 -5.158 4.082 -4.165 554 1HG2 THR 73 1HG2 THR 73 -1.737 3.612 -3.172 555 2HG2 THR 73 2HG2 THR 73 -1.585 5.322 -2.735 556 3HG2 THR 73 3HG2 THR 73 -2.722 4.269 -1.841 557 H GLU 74 H GLU 74 -2.351 7.800 -2.199 558 HA GLU 74 HA GLU 74 -1.684 9.442 -4.624 559 1HB GLU 74 2HB GLU 74 -2.181 10.225 -1.727 560 2HB GLU 74 3HB GLU 74 -1.484 11.321 -2.925 561 1HG GLU 74 2HG GLU 74 -4.162 9.998 -3.490 562 2HG GLU 74 3HG GLU 74 -4.039 11.426 -2.456 563 H LYS 75 H LYS 75 0.373 9.942 -5.001 564 HA LYS 75 HA LYS 75 2.489 8.558 -3.505 565 1HB LYS 75 2HB LYS 75 3.977 9.400 -5.241 566 2HB LYS 75 3HB LYS 75 2.656 8.432 -5.878 567 1HG LYS 75 2HG LYS 75 1.633 10.113 -6.937 568 2HG LYS 75 3HG LYS 75 2.157 11.390 -5.851 569 1HD LYS 75 2HD LYS 75 4.200 9.958 -7.601 570 2HD LYS 75 3HD LYS 75 3.138 11.170 -8.302 571 1HE LYS 75 2HE LYS 75 5.267 12.195 -7.702 572 2HE LYS 75 3HE LYS 75 3.930 12.918 -6.804 573 1HZ LYS 75 1HZ LYS 75 5.787 10.913 -5.690 574 2HZ LYS 75 2HZ LYS 75 5.896 12.519 -5.466 575 3HZ LYS 75 3HZ LYS 75 4.589 11.716 -4.880 576 H ALA 76 H ALA 76 2.120 9.759 -1.494 577 HA ALA 76 HA ALA 76 2.670 12.700 -1.612 578 1HB ALA 76 1HB ALA 76 2.235 12.670 0.797 579 2HB ALA 76 2HB ALA 76 0.911 11.910 -0.107 580 3HB ALA 76 3HB ALA 76 2.084 10.897 0.763 581 H GLU 77 H GLU 77 4.488 13.645 -0.329 582 HA GLU 77 HA GLU 77 6.841 11.814 -0.325 583 1HB GLU 77 2HB GLU 77 6.729 14.672 -1.326 584 2HB GLU 77 3HB GLU 77 8.166 13.641 -1.170 585 1HG GLU 77 2HG GLU 77 7.041 11.932 -2.653 586 2HG GLU 77 3HG GLU 77 5.749 13.115 -2.944 587 H PHE 78 H PHE 78 8.087 11.740 1.324 588 HA PHE 78 HA PHE 78 7.711 13.634 3.588 589 1HB PHE 78 2HB PHE 78 7.622 10.614 3.448 590 2HB PHE 78 3HB PHE 78 8.104 11.459 4.908 591 HD1 PHE 78 1HD PHE 78 6.415 12.014 6.502 592 HD2 PHE 78 2HD PHE 78 5.285 11.388 2.385 593 HE1 PHE 78 1HE PHE 78 4.095 12.301 7.102 594 HE2 PHE 78 2HE PHE 78 2.925 11.797 2.995 595 HZ PHE 78 HZ PHE 78 2.312 12.251 5.349 596 H ASP 79 H ASP 79 9.426 13.676 5.011 597 HA ASP 79 HA ASP 79 12.147 13.297 3.853 598 1HB ASP 79 2HB ASP 79 11.509 15.633 3.927 599 2HB ASP 79 3HB ASP 79 10.842 15.468 5.554 600 H ILE 80 H ILE 80 13.726 12.374 5.341 601 HA ILE 80 HA ILE 80 12.578 11.276 7.878 602 HB ILE 80 HB ILE 80 14.904 10.197 6.282 603 1HG1 ILE 80 2HG1 ILE 80 11.997 9.328 5.927 604 2HG1 ILE 80 3HG1 ILE 80 12.925 10.261 4.747 605 1HG2 ILE 80 1HG2 ILE 80 14.635 9.479 8.645 606 2HG2 ILE 80 2HG2 ILE 80 12.986 8.938 8.297 607 3HG2 ILE 80 3HG2 ILE 80 14.374 8.128 7.555 608 1HD1 ILE 80 1HD1 ILE 80 14.615 8.520 4.652 609 2HD1 ILE 80 2HD1 ILE 80 13.535 7.467 5.627 610 3HD1 ILE 80 3HD1 ILE 80 13.007 8.072 4.044 611 H GLU 81 H GLU 81 13.775 11.635 9.783 612 HA GLU 81 HA GLU 81 16.516 12.840 9.423 613 1HB GLU 81 2HB GLU 81 14.695 13.422 11.759 614 2HB GLU 81 3HB GLU 81 16.339 13.975 11.500 615 1HG GLU 81 2HG GLU 81 15.709 15.315 9.611 616 2HG GLU 81 3HG GLU 81 14.079 14.652 9.567 617 H GLY 82 H GLY 82 17.238 10.743 9.196 618 1HA GLY 82 2HA GLY 82 18.686 9.490 10.829 619 2HA GLY 82 3HA GLY 82 17.209 9.066 11.698 620 H MET 83 H MET 83 18.166 8.970 8.168 621 HA MET 83 HA MET 83 17.453 6.061 8.204 622 1HB MET 83 2HB MET 83 17.491 6.154 5.870 623 2HB MET 83 3HB MET 83 16.272 7.250 6.498 624 1HG MET 83 2HG MET 83 17.242 9.026 5.509 625 2HG MET 83 3HG MET 83 18.882 8.517 5.933 626 1HE MET 83 1HE MET 83 20.203 6.602 4.693 627 2HE MET 83 2HE MET 83 20.448 7.065 2.993 628 3HE MET 83 3HE MET 83 20.565 8.294 4.252 629 H THR 84 H THR 84 20.072 8.350 7.956 630 HA THR 84 HA THR 84 22.018 6.544 6.840 631 HB THR 84 HB THR 84 22.413 9.203 8.275 632 HG1 THR 84 1HG THR 84 22.099 8.874 5.504 633 1HG2 THR 84 1HG2 THR 84 24.350 9.413 6.741 634 2HG2 THR 84 2HG2 THR 84 24.541 8.000 7.787 635 3HG2 THR 84 3HG2 THR 84 24.038 7.786 6.097 636 H CYS 85 H CYS 85 21.393 4.851 8.547 637 HA CYS 85 HA CYS 85 23.741 4.900 10.341 638 1HB CYS 85 2HB CYS 85 21.812 5.630 11.783 639 2HB CYS 85 3HB CYS 85 21.083 4.033 11.534 640 HG CYS 85 HG CYS 85 23.114 2.650 12.353 641 H ALA 86 H ALA 86 24.579 3.628 8.741 642 HA ALA 86 HA ALA 86 25.130 1.800 7.583 643 1HB ALA 86 1HB ALA 86 24.954 0.491 9.670 644 2HB ALA 86 2HB ALA 86 23.248 0.140 9.318 645 3HB ALA 86 3HB ALA 86 24.511 -0.436 8.226 646 H ALA 87 H ALA 87 21.611 1.370 8.252 647 HA ALA 87 HA ALA 87 20.890 1.725 5.417 648 1HB ALA 87 1HB ALA 87 22.083 -0.536 5.539 649 2HB ALA 87 2HB ALA 87 20.788 -1.073 6.624 650 3HB ALA 87 3HB ALA 87 20.437 -0.604 4.950 651 H CYS 88 H CYS 88 19.872 3.142 7.685 652 HA CYS 88 HA CYS 88 17.658 1.563 8.735 653 1HB CYS 88 2HB CYS 88 18.611 4.377 9.267 654 2HB CYS 88 3HB CYS 88 17.027 3.801 9.802 655 HG CYS 88 HG CYS 88 17.840 1.729 11.036 656 H ALA 89 H ALA 89 18.090 4.048 6.224 657 HA ALA 89 HA ALA 89 15.371 4.369 5.465 658 1HB ALA 89 1HB ALA 89 17.989 4.816 4.202 659 2HB ALA 89 2HB ALA 89 16.815 4.200 3.034 660 3HB ALA 89 3HB ALA 89 16.437 5.648 3.956 661 H ASN 90 H ASN 90 17.786 1.953 4.485 662 HA ASN 90 HA ASN 90 16.042 0.557 2.723 663 1HB ASN 90 2HB ASN 90 18.472 -0.408 4.228 664 2HB ASN 90 3HB ASN 90 17.517 -1.496 3.228 665 1HD2 ASN 90 1HD2 ASN 90 19.762 1.270 3.086 666 2HD2 ASN 90 2HD2 ASN 90 19.910 1.225 1.345 667 H ARG 91 H ARG 91 16.642 0.013 6.253 668 HA ARG 91 HA ARG 91 14.765 -2.118 6.388 669 1HB ARG 91 2HB ARG 91 16.427 -0.839 8.242 670 2HB ARG 91 3HB ARG 91 14.815 -0.434 8.819 671 1HG ARG 91 2HG ARG 91 14.193 -2.888 8.395 672 2HG ARG 91 3HG ARG 91 15.923 -3.230 8.300 673 1HD ARG 91 2HD ARG 91 14.537 -1.881 10.673 674 2HD ARG 91 3HD ARG 91 14.713 -3.617 10.567 675 HE ARG 91 HE ARG 91 16.747 -1.633 11.222 676 1HH1 ARG 91 2HH2 ARG 91 16.304 -4.885 9.943 677 2HH1 ARG 91 1HH2 ARG 91 17.720 -5.560 10.686 678 1HH2 ARG 91 2HH1 ARG 91 18.655 -2.488 12.231 679 2HH2 ARG 91 1HH1 ARG 91 19.109 -4.141 11.982 680 H ILE 92 H ILE 92 14.334 1.390 6.838 681 HA ILE 92 HA ILE 92 11.621 1.331 7.599 682 HB ILE 92 HB ILE 92 13.583 3.289 7.292 683 1HG1 ILE 92 2HG1 ILE 92 10.657 3.674 7.947 684 2HG1 ILE 92 3HG1 ILE 92 11.951 3.165 9.052 685 1HG2 ILE 92 1HG2 ILE 92 11.307 4.140 5.487 686 2HG2 ILE 92 2HG2 ILE 92 12.769 5.055 5.931 687 3HG2 ILE 92 3HG2 ILE 92 12.915 3.643 4.925 688 1HD1 ILE 92 1HD1 ILE 92 11.661 5.494 9.421 689 2HD1 ILE 92 2HD1 ILE 92 13.172 5.318 8.515 690 3HD1 ILE 92 3HD1 ILE 92 11.687 5.872 7.699 691 H GLU 93 H GLU 93 13.165 1.233 4.409 692 HA GLU 93 HA GLU 93 10.972 1.783 2.768 693 1HB GLU 93 2HB GLU 93 13.376 1.700 2.089 694 2HB GLU 93 3HB GLU 93 13.381 -0.051 2.236 695 1HG GLU 93 2HG GLU 93 11.367 1.308 0.462 696 2HG GLU 93 3HG GLU 93 13.045 1.075 -0.062 697 H LYS 94 H LYS 94 12.369 -1.410 3.608 698 HA LYS 94 HA LYS 94 10.320 -3.016 2.610 699 1HB LYS 94 2HB LYS 94 12.242 -3.386 4.929 700 2HB LYS 94 3HB LYS 94 10.967 -4.572 4.638 701 1HG LYS 94 2HG LYS 94 12.998 -5.319 3.591 702 2HG LYS 94 3HG LYS 94 11.742 -5.007 2.378 703 1HD LYS 94 2HD LYS 94 12.714 -2.883 1.796 704 2HD LYS 94 3HD LYS 94 13.926 -2.998 3.070 705 1HE LYS 94 2HE LYS 94 13.724 -4.918 0.706 706 2HE LYS 94 3HE LYS 94 14.700 -3.444 0.706 707 1HZ LYS 94 1HZ LYS 94 15.935 -4.285 2.561 708 2HZ LYS 94 2HZ LYS 94 15.058 -5.681 2.585 709 3HZ LYS 94 3HZ LYS 94 16.020 -5.330 1.296 710 H ARG 95 H ARG 95 10.298 -1.151 5.635 711 HA ARG 95 HA ARG 95 7.845 -2.537 6.569 712 1HB ARG 95 2HB ARG 95 9.658 -0.428 7.689 713 2HB ARG 95 3HB ARG 95 7.951 -0.351 8.138 714 1HG ARG 95 2HG ARG 95 9.126 -1.735 9.769 715 2HG ARG 95 3HG ARG 95 7.944 -2.670 8.865 716 1HD ARG 95 2HD ARG 95 9.832 -3.486 7.404 717 2HD ARG 95 3HD ARG 95 10.973 -2.650 8.481 718 HE ARG 95 HE ARG 95 9.482 -4.143 10.218 719 1HH1 ARG 95 2HH2 ARG 95 11.297 -4.973 7.329 720 2HH1 ARG 95 1HH2 ARG 95 11.317 -6.689 7.617 721 1HH2 ARG 95 2HH1 ARG 95 9.459 -6.414 10.650 722 2HH2 ARG 95 1HH1 ARG 95 10.278 -7.518 9.599 723 H LEU 96 H LEU 96 8.520 0.851 5.634 724 HA LEU 96 HA LEU 96 5.852 1.659 5.542 725 1HB LEU 96 2HB LEU 96 8.159 2.798 3.999 726 2HB LEU 96 3HB LEU 96 6.572 3.532 4.251 727 HG LEU 96 HG LEU 96 8.773 3.118 6.328 728 1HD1 LEU 96 1HD1 LEU 96 8.660 5.166 4.901 729 2HD1 LEU 96 2HD1 LEU 96 7.037 5.478 5.554 730 3HD1 LEU 96 3HD1 LEU 96 8.452 5.501 6.632 731 1HD2 LEU 96 1HD2 LEU 96 5.925 3.797 7.030 732 2HD2 LEU 96 2HD2 LEU 96 6.789 2.308 7.493 733 3HD2 LEU 96 3HD2 LEU 96 7.335 3.874 8.087 734 H ASN 97 H ASN 97 7.751 0.010 3.098 735 HA ASN 97 HA ASN 97 6.434 0.239 0.737 736 1HB ASN 97 2HB ASN 97 8.419 -1.222 1.360 737 2HB ASN 97 3HB ASN 97 7.286 -2.450 1.884 738 1HD2 ASN 97 1HD2 ASN 97 9.335 -1.525 -0.522 739 2HD2 ASN 97 2HD2 ASN 97 8.515 -2.190 -1.929 740 H LYS 98 H LYS 98 5.229 -1.578 3.564 741 HA LYS 98 HA LYS 98 2.533 -1.442 2.540 742 1HB LYS 98 2HB LYS 98 2.018 -3.849 2.765 743 2HB LYS 98 3HB LYS 98 2.824 -3.352 1.298 744 1HG LYS 98 2HG LYS 98 4.586 -4.249 3.581 745 2HG LYS 98 3HG LYS 98 3.621 -5.508 2.862 746 1HD LYS 98 2HD LYS 98 5.457 -3.666 1.325 747 2HD LYS 98 3HD LYS 98 5.954 -5.242 1.933 748 1HE LYS 98 2HE LYS 98 4.388 -6.376 0.438 749 2HE LYS 98 3HE LYS 98 3.674 -4.832 -0.072 750 1HZ LYS 98 1HZ LYS 98 5.214 -5.569 -1.702 751 2HZ LYS 98 2HZ LYS 98 5.776 -4.198 -0.987 752 3HZ LYS 98 3HZ LYS 98 6.439 -5.652 -0.605 753 H ILE 99 H ILE 99 2.823 -0.085 4.482 754 HA ILE 99 HA ILE 99 3.054 -1.254 7.092 755 HB ILE 99 HB ILE 99 1.374 1.179 6.431 756 1HG1 ILE 99 2HG1 ILE 99 4.327 1.113 7.159 757 2HG1 ILE 99 3HG1 ILE 99 3.699 1.350 5.515 758 1HG2 ILE 99 1HG2 ILE 99 1.006 0.325 8.687 759 2HG2 ILE 99 2HG2 ILE 99 2.754 0.131 8.951 760 3HG2 ILE 99 3HG2 ILE 99 2.048 1.740 8.814 761 1HD1 ILE 99 1HD1 ILE 99 3.454 3.228 7.815 762 2HD1 ILE 99 2HD1 ILE 99 3.971 3.482 6.124 763 3HD1 ILE 99 3HD1 ILE 99 2.262 3.249 6.492 764 H GLU 100 H GLU 100 0.240 -0.159 5.241 765 HA GLU 100 HA GLU 100 -1.275 -2.538 5.703 766 1HB GLU 100 2HB GLU 100 -1.588 -0.926 7.770 767 2HB GLU 100 3HB GLU 100 -2.722 -0.072 6.747 768 1HG GLU 100 2HG GLU 100 -2.750 -3.076 7.389 769 2HG GLU 100 3HG GLU 100 -3.731 -1.844 8.181 770 H GLY 101 H GLY 101 -2.968 0.518 4.947 771 1HA GLY 101 2HA GLY 101 -3.361 -0.421 2.246 772 2HA GLY 101 3HA GLY 101 -4.044 1.033 3.012 773 H VAL 102 H VAL 102 -0.782 -0.179 2.283 774 HA VAL 102 HA VAL 102 -0.063 2.386 0.923 775 HB VAL 102 HB VAL 102 1.814 0.537 2.404 776 1HG1 VAL 102 1HG1 VAL 102 3.273 2.653 2.170 777 2HG1 VAL 102 2HG1 VAL 102 2.983 1.696 0.705 778 3HG1 VAL 102 3HG1 VAL 102 2.103 3.208 0.991 779 1HG2 VAL 102 1HG2 VAL 102 0.328 1.578 4.049 780 2HG2 VAL 102 2HG2 VAL 102 1.961 2.259 4.129 781 3HG2 VAL 102 3HG2 VAL 102 0.661 3.174 3.363 782 H ALA 103 H ALA 103 0.223 2.143 -1.194 783 HA ALA 103 HA ALA 103 0.181 -0.493 -2.399 784 1HB ALA 103 1HB ALA 103 -0.896 1.240 -3.652 785 2HB ALA 103 2HB ALA 103 0.534 2.290 -3.577 786 3HB ALA 103 3HB ALA 103 0.565 0.797 -4.532 787 H ASN 104 H ASN 104 2.480 2.208 -1.946 788 HA ASN 104 HA ASN 104 4.824 0.448 -2.165 789 1HB ASN 104 2HB ASN 104 4.385 2.763 -4.118 790 2HB ASN 104 3HB ASN 104 5.878 1.849 -3.932 791 1HD2 ASN 104 1HD2 ASN 104 3.002 2.081 -5.710 792 2HD2 ASN 104 2HD2 ASN 104 3.032 0.455 -6.391 793 H ALA 105 H ALA 105 6.809 1.809 -1.830 794 HA ALA 105 HA ALA 105 6.480 4.453 -0.797 795 1HB ALA 105 1HB ALA 105 5.626 3.231 1.198 796 2HB ALA 105 2HB ALA 105 7.179 2.377 1.306 797 3HB ALA 105 3HB ALA 105 7.114 4.129 1.538 798 HA PRO 106 HA PRO 106 10.722 3.065 -2.147 799 1HB PRO 106 2HB PRO 106 11.202 4.823 -4.195 800 2HB PRO 106 3HB PRO 106 10.297 3.293 -4.385 801 1HG PRO 106 2HG PRO 106 9.201 6.066 -4.003 802 2HG PRO 106 3HG PRO 106 8.671 4.847 -5.192 803 1HD PRO 106 2HD PRO 106 7.323 5.216 -2.833 804 2HD PRO 106 3HD PRO 106 7.520 3.594 -3.551 805 H VAL 107 H VAL 107 12.516 3.818 -1.211 806 HA VAL 107 HA VAL 107 12.500 6.474 0.113 807 HB VAL 107 HB VAL 107 13.993 3.899 0.780 808 1HG1 VAL 107 1HG1 VAL 107 13.822 6.590 2.201 809 2HG1 VAL 107 2HG1 VAL 107 14.383 5.100 2.976 810 3HG1 VAL 107 3HG1 VAL 107 15.278 5.767 1.602 811 1HG2 VAL 107 1HG2 VAL 107 11.542 3.696 1.227 812 2HG2 VAL 107 2HG2 VAL 107 12.505 3.713 2.705 813 3HG2 VAL 107 3HG2 VAL 107 11.635 5.161 2.220 814 H ASN 108 H ASN 108 14.384 7.791 -0.066 815 HA ASN 108 HA ASN 108 16.312 7.023 -2.226 816 1HB ASN 108 2HB ASN 108 15.443 9.710 -1.116 817 2HB ASN 108 3HB ASN 108 16.827 9.460 -2.188 818 1HD2 ASN 108 1HD2 ASN 108 15.895 10.813 -3.875 819 2HD2 ASN 108 2HD2 ASN 108 14.574 10.187 -4.840 820 H PHE 109 H PHE 109 18.514 7.569 -1.838 821 HA PHE 109 HA PHE 109 19.278 7.419 1.020 822 1HB PHE 109 2HB PHE 109 19.810 5.651 -1.067 823 2HB PHE 109 3HB PHE 109 21.273 6.624 -1.028 824 HD1 PHE 109 1HD PHE 109 22.923 6.164 0.683 825 HD2 PHE 109 2HD PHE 109 18.879 4.751 1.159 826 HE1 PHE 109 1HE PHE 109 23.588 4.939 2.722 827 HE2 PHE 109 2HE PHE 109 19.522 3.581 3.204 828 HZ PHE 109 HZ PHE 109 21.912 3.622 4.001 829 H ALA 110 H ALA 110 19.223 9.585 -1.517 830 HA ALA 110 HA ALA 110 21.801 10.925 -0.813 831 1HB ALA 110 1HB ALA 110 19.913 11.289 -3.181 832 2HB ALA 110 2HB ALA 110 21.430 12.168 -2.903 833 3HB ALA 110 3HB ALA 110 21.462 10.418 -3.192 834 H LEU 111 H LEU 111 18.302 11.444 -1.262 835 HA LEU 111 HA LEU 111 18.425 14.190 -0.304 836 1HB LEU 111 2HB LEU 111 15.990 12.493 -0.849 837 2HB LEU 111 3HB LEU 111 16.108 14.259 -0.867 838 HG LEU 111 HG LEU 111 17.234 12.284 -2.896 839 1HD1 LEU 111 1HD1 LEU 111 15.672 13.381 -4.434 840 2HD1 LEU 111 2HD1 LEU 111 14.803 12.741 -3.030 841 3HD1 LEU 111 3HD1 LEU 111 15.137 14.479 -3.147 842 1HD2 LEU 111 1HD2 LEU 111 18.848 14.152 -2.687 843 2HD2 LEU 111 2HD2 LEU 111 17.942 14.292 -4.199 844 3HD2 LEU 111 3HD2 LEU 111 17.521 15.328 -2.821 845 H GLU 112 H GLU 112 18.093 11.117 1.234 846 HA GLU 112 HA GLU 112 17.053 10.277 3.023 847 1HB GLU 112 2HB GLU 112 17.577 13.015 4.265 848 2HB GLU 112 3HB GLU 112 16.984 11.597 5.121 849 1HG GLU 112 2HG GLU 112 19.107 10.383 4.177 850 2HG GLU 112 3HG GLU 112 19.707 12.007 3.898 851 H THR 113 H THR 113 15.326 10.789 1.080 852 HA THR 113 HA THR 113 12.896 11.684 2.545 853 HB THR 113 HB THR 113 11.966 12.472 0.429 854 HG1 THR 113 1HG THR 113 13.161 12.468 -1.413 855 1HG2 THR 113 1HG2 THR 113 13.204 14.114 1.828 856 2HG2 THR 113 2HG2 THR 113 14.697 13.708 0.969 857 3HG2 THR 113 3HG2 THR 113 13.376 14.479 0.094 858 H VAL 114 H VAL 114 10.955 10.697 1.780 859 HA VAL 114 HA VAL 114 11.226 8.173 0.305 860 HB VAL 114 HB VAL 114 11.454 7.375 2.523 861 1HG1 VAL 114 1HG1 VAL 114 8.985 8.900 3.402 862 2HG1 VAL 114 2HG1 VAL 114 10.002 7.851 4.396 863 3HG1 VAL 114 3HG1 VAL 114 10.647 9.384 3.798 864 1HG2 VAL 114 1HG2 VAL 114 8.486 7.057 1.911 865 2HG2 VAL 114 2HG2 VAL 114 9.774 6.163 1.073 866 3HG2 VAL 114 3HG2 VAL 114 9.520 5.947 2.813 867 H THR 115 H THR 115 9.576 7.832 -1.051 868 HA THR 115 HA THR 115 7.273 9.744 -1.010 869 HB THR 115 HB THR 115 8.016 7.515 -2.926 870 HG1 THR 115 1HG THR 115 9.389 9.404 -2.925 871 1HG2 THR 115 1HG2 THR 115 5.889 9.683 -3.140 872 2HG2 THR 115 2HG2 THR 115 6.330 8.513 -4.408 873 3HG2 THR 115 3HG2 THR 115 5.592 7.944 -2.903 874 H VAL 116 H VAL 116 5.300 8.924 -0.269 875 HA VAL 116 HA VAL 116 5.113 6.039 0.435 876 HB VAL 116 HB VAL 116 5.231 7.390 2.473 877 1HG1 VAL 116 1HG1 VAL 116 3.556 8.982 3.108 878 2HG1 VAL 116 2HG1 VAL 116 4.256 9.519 1.575 879 3HG1 VAL 116 3HG1 VAL 116 2.661 8.759 1.605 880 1HG2 VAL 116 1HG2 VAL 116 2.583 6.090 1.760 881 2HG2 VAL 116 2HG2 VAL 116 3.980 5.358 2.569 882 3HG2 VAL 116 3HG2 VAL 116 3.003 6.587 3.398 883 H GLU 117 H GLU 117 3.747 5.086 -0.942 884 HA GLU 117 HA GLU 117 1.724 6.727 -2.386 885 1HB GLU 117 2HB GLU 117 3.660 4.756 -3.250 886 2HB GLU 117 3HB GLU 117 2.057 4.043 -3.421 887 1HG GLU 117 2HG GLU 117 1.361 6.150 -4.663 888 2HG GLU 117 3HG GLU 117 3.083 6.609 -4.615 889 H TYR 118 H TYR 118 0.068 6.695 -0.817 890 HA TYR 118 HA TYR 118 -0.967 4.019 -0.102 891 1HB TYR 118 2HB TYR 118 -0.839 4.287 2.202 892 2HB TYR 118 3HB TYR 118 0.746 4.824 1.680 893 HD1 TYR 118 HD1 TYR 118 0.727 7.572 1.152 894 HD2 TYR 118 HD2 TYR 118 -1.903 5.479 3.845 895 HE1 TYR 118 HE1 TYR 118 0.585 9.584 2.571 896 HE2 TYR 118 HE2 TYR 118 -2.011 7.477 5.282 897 HH TYR 118 HH TYR 118 -0.213 10.474 4.536 898 H ASN 119 H ASN 119 -2.907 4.209 1.338 899 HA ASN 119 HA ASN 119 -4.739 5.935 -0.195 900 1HB ASN 119 2HB ASN 119 -4.775 3.360 0.043 901 2HB ASN 119 3HB ASN 119 -5.520 3.642 1.606 902 1HD2 ASN 119 1HD2 ASN 119 -5.934 3.548 -1.819 903 2HD2 ASN 119 2HD2 ASN 119 -7.629 3.963 -1.862 904 HA PRO 120 HA PRO 120 -4.487 8.224 3.731 905 1HB PRO 120 2HB PRO 120 -5.491 10.639 2.987 906 2HB PRO 120 3HB PRO 120 -3.903 10.042 2.430 907 1HG PRO 120 2HG PRO 120 -6.555 9.825 0.965 908 2HG PRO 120 3HG PRO 120 -5.021 10.504 0.339 909 1HD PRO 120 2HD PRO 120 -5.727 7.942 -0.156 910 2HD PRO 120 3HD PRO 120 -4.027 8.364 0.214 911 H LYS 121 H LYS 121 -7.131 6.738 2.508 912 HA LYS 121 HA LYS 121 -9.163 7.909 4.366 913 1HB LYS 121 2HB LYS 121 -10.670 7.281 2.940 914 2HB LYS 121 3HB LYS 121 -9.370 7.101 1.784 915 1HG LYS 121 2HG LYS 121 -10.486 5.171 1.552 916 2HG LYS 121 3HG LYS 121 -9.214 4.610 2.620 917 1HD LYS 121 2HD LYS 121 -10.866 4.979 4.561 918 2HD LYS 121 3HD LYS 121 -12.039 5.479 3.378 919 1HE LYS 121 2HE LYS 121 -10.937 2.889 2.544 920 2HE LYS 121 3HE LYS 121 -11.167 2.818 4.288 921 1HZ LYS 121 1HZ LYS 121 -12.981 1.950 3.119 922 2HZ LYS 121 2HZ LYS 121 -13.482 3.267 3.971 923 3HZ LYS 121 3HZ LYS 121 -13.295 3.340 2.327 924 H GLU 122 H GLU 122 -7.005 5.156 3.732 925 HA GLU 122 HA GLU 122 -8.296 3.514 5.786 926 1HB GLU 122 2HB GLU 122 -6.963 2.968 3.389 927 2HB GLU 122 3HB GLU 122 -5.734 2.603 4.604 928 1HG GLU 122 2HG GLU 122 -6.865 0.579 4.329 929 2HG GLU 122 3HG GLU 122 -7.614 1.221 5.782 930 H ALA 123 H ALA 123 -5.296 5.331 5.204 931 HA ALA 123 HA ALA 123 -4.647 5.231 8.118 932 1HB ALA 123 1HB ALA 123 -2.663 4.690 5.867 933 2HB ALA 123 2HB ALA 123 -2.264 4.857 7.588 934 3HB ALA 123 3HB ALA 123 -3.251 3.498 7.036 935 H SER 124 H SER 124 -2.581 6.944 8.278 936 HA SER 124 HA SER 124 -2.808 9.271 6.564 937 1HB SER 124 2HB SER 124 -4.139 9.249 9.301 938 2HB SER 124 3HB SER 124 -3.556 10.740 8.544 939 HG SER 124 HG SER 124 -5.194 9.069 7.006 940 H VAL 125 H VAL 125 -1.322 10.970 7.389 941 HA VAL 125 HA VAL 125 1.164 10.402 7.954 942 HB VAL 125 HB VAL 125 -0.218 12.665 9.487 943 1HG1 VAL 125 1HG1 VAL 125 1.987 12.591 10.156 944 2HG1 VAL 125 2HG1 VAL 125 2.586 12.137 8.562 945 3HG1 VAL 125 3HG1 VAL 125 2.015 13.794 8.869 946 1HG2 VAL 125 1HG2 VAL 125 0.472 12.461 6.534 947 2HG2 VAL 125 2HG2 VAL 125 -1.081 12.899 7.268 948 3HG2 VAL 125 3HG2 VAL 125 0.267 14.014 7.373 949 H SER 126 H SER 126 -1.189 10.633 10.692 950 HA SER 126 HA SER 126 0.554 10.255 12.811 951 1HB SER 126 2HB SER 126 -2.194 8.958 12.526 952 2HB SER 126 3HB SER 126 -1.415 9.534 14.011 953 HG SER 126 HG SER 126 -2.948 11.052 13.125 954 H ASP 127 H ASP 127 -0.800 7.795 10.624 955 HA ASP 127 HA ASP 127 0.016 5.442 12.033 956 1HB ASP 127 2HB ASP 127 -1.768 5.590 10.263 957 2HB ASP 127 3HB ASP 127 -0.498 5.898 9.056 958 H LEU 128 H LEU 128 1.376 7.366 9.372 959 HA LEU 128 HA LEU 128 3.716 5.821 8.891 960 1HB LEU 128 2HB LEU 128 3.031 8.729 8.407 961 2HB LEU 128 3HB LEU 128 4.590 8.079 7.957 962 HG LEU 128 HG LEU 128 2.000 6.780 7.049 963 1HD1 LEU 128 1HD1 LEU 128 3.624 8.918 5.631 964 2HD1 LEU 128 2HD1 LEU 128 2.224 8.034 4.963 965 3HD1 LEU 128 3HD1 LEU 128 2.004 9.127 6.332 966 1HD2 LEU 128 1HD2 LEU 128 3.376 5.714 5.394 967 2HD2 LEU 128 2HD2 LEU 128 4.744 6.812 5.695 968 3HD2 LEU 128 3HD2 LEU 128 4.321 5.575 6.874 969 H LYS 129 H LYS 129 3.178 8.715 10.871 970 HA LYS 129 HA LYS 129 5.817 8.920 11.931 971 1HB LYS 129 2HB LYS 129 3.131 9.825 13.043 972 2HB LYS 129 3HB LYS 129 4.697 10.260 13.738 973 1HG LYS 129 2HG LYS 129 5.213 10.914 11.166 974 2HG LYS 129 3HG LYS 129 3.484 11.147 11.112 975 1HD LYS 129 2HD LYS 129 5.388 12.489 13.098 976 2HD LYS 129 3HD LYS 129 4.928 13.157 11.533 977 1HE LYS 129 2HE LYS 129 3.680 14.211 13.337 978 2HE LYS 129 3HE LYS 129 2.644 13.444 12.140 979 1HZ LYS 129 1HZ LYS 129 3.342 12.281 14.766 980 2HZ LYS 129 2HZ LYS 129 1.905 12.989 14.379 981 3HZ LYS 129 3HZ LYS 129 2.360 11.593 13.642 982 H GLU 130 H GLU 130 2.917 7.107 13.214 983 HA GLU 130 HA GLU 130 4.389 6.231 15.463 984 1HB GLU 130 2HB GLU 130 1.759 6.086 14.968 985 2HB GLU 130 3HB GLU 130 2.201 4.476 14.373 986 1HG GLU 130 2HG GLU 130 3.644 4.485 16.637 987 2HG GLU 130 3HG GLU 130 2.444 5.673 17.148 988 H ALA 131 H ALA 131 3.918 4.754 12.200 989 HA ALA 131 HA ALA 131 5.158 2.289 12.684 990 1HB ALA 131 1HB ALA 131 5.320 3.986 10.151 991 2HB ALA 131 2HB ALA 131 5.651 2.248 10.273 992 3HB ALA 131 3HB ALA 131 4.014 2.864 10.578 993 H VAL 132 H VAL 132 6.711 5.367 11.596 994 HA VAL 132 HA VAL 132 9.352 4.299 11.809 995 HB VAL 132 HB VAL 132 8.284 7.128 11.574 996 1HG1 VAL 132 1HG1 VAL 132 10.695 7.640 10.927 997 2HG1 VAL 132 2HG1 VAL 132 10.436 7.299 12.635 998 3HG1 VAL 132 3HG1 VAL 132 11.123 6.044 11.584 999 1HG2 VAL 132 1HG2 VAL 132 9.355 6.671 9.232 1000 2HG2 VAL 132 2HG2 VAL 132 9.348 4.975 9.685 1001 3HG2 VAL 132 3HG2 VAL 132 7.821 5.867 9.593 1002 H ASP 133 H ASP 133 7.200 5.865 14.186 1003 HA ASP 133 HA ASP 133 9.132 6.306 16.137 1004 1HB ASP 133 2HB ASP 133 6.746 6.981 16.358 1005 2HB ASP 133 3HB ASP 133 6.282 5.311 16.635 1006 H LYS 134 H LYS 134 7.148 3.429 15.484 1007 HA LYS 134 HA LYS 134 8.321 1.666 17.389 1008 1HB LYS 134 2HB LYS 134 6.732 1.278 14.845 1009 2HB LYS 134 3HB LYS 134 7.623 -0.063 15.519 1010 1HG LYS 134 2HG LYS 134 5.436 -0.247 16.321 1011 2HG LYS 134 3HG LYS 134 6.443 0.184 17.703 1012 1HD LYS 134 2HD LYS 134 5.284 2.478 16.228 1013 2HD LYS 134 3HD LYS 134 4.047 1.433 16.839 1014 1HE LYS 134 2HE LYS 134 6.200 2.219 18.815 1015 2HE LYS 134 3HE LYS 134 5.204 3.527 18.189 1016 1HZ LYS 134 1HZ LYS 134 4.207 2.621 20.121 1017 2HZ LYS 134 2HZ LYS 134 3.253 2.409 18.798 1018 3HZ LYS 134 3HZ LYS 134 4.072 1.124 19.421 1019 H LEU 135 H LEU 135 9.282 2.280 13.942 1020 HA LEU 135 HA LEU 135 11.529 0.477 14.034 1021 1HB LEU 135 2HB LEU 135 10.997 2.975 12.397 1022 2HB LEU 135 3HB LEU 135 12.554 2.188 12.374 1023 HG LEU 135 HG LEU 135 11.310 1.537 10.461 1024 1HD1 LEU 135 1HD1 LEU 135 11.588 -0.881 12.273 1025 2HD1 LEU 135 2HD1 LEU 135 11.655 -0.820 10.504 1026 3HD1 LEU 135 3HD1 LEU 135 12.931 -0.045 11.460 1027 1HD2 LEU 135 1HD2 LEU 135 9.063 1.762 11.345 1028 2HD2 LEU 135 2HD2 LEU 135 9.297 0.253 10.500 1029 3HD2 LEU 135 3HD2 LEU 135 9.254 0.249 12.281 1030 H GLY 136 H GLY 136 11.173 3.833 15.136 1031 1HA GLY 136 2HA GLY 136 12.330 4.725 16.952 1032 2HA GLY 136 3HA GLY 136 13.638 3.557 16.755 1033 H TYR 137 H TYR 137 12.112 5.779 14.370 1034 HA TYR 137 HA TYR 137 14.547 7.500 14.410 1035 1HB TYR 137 2HB TYR 137 13.185 6.871 11.783 1036 2HB TYR 137 3HB TYR 137 14.724 7.670 12.066 1037 HD1 TYR 137 HD1 TYR 137 13.294 4.669 10.957 1038 HD2 TYR 137 HD2 TYR 137 16.486 6.132 13.456 1039 HE1 TYR 137 HE1 TYR 137 14.371 2.438 10.906 1040 HE2 TYR 137 HE2 TYR 137 17.456 3.868 13.536 1041 HH TYR 137 HH TYR 137 16.868 1.609 13.289 1042 H LYS 138 H LYS 138 13.293 9.338 12.336 1043 HA LYS 138 HA LYS 138 10.595 9.704 13.385 1044 1HB LYS 138 2HB LYS 138 10.787 11.911 14.088 1045 2HB LYS 138 3HB LYS 138 12.183 11.118 14.819 1046 1HG LYS 138 2HG LYS 138 13.349 12.891 13.918 1047 2HG LYS 138 3HG LYS 138 13.346 11.867 12.516 1048 1HD LYS 138 2HD LYS 138 12.517 13.787 11.519 1049 2HD LYS 138 3HD LYS 138 10.973 13.161 12.043 1050 1HE LYS 138 2HE LYS 138 12.726 15.180 13.527 1051 2HE LYS 138 3HE LYS 138 11.246 15.532 12.632 1052 1HZ LYS 138 1HZ LYS 138 10.020 14.221 14.196 1053 2HZ LYS 138 2HZ LYS 138 11.390 13.841 15.026 1054 3HZ LYS 138 3HZ LYS 138 10.860 15.398 14.989 1055 H LEU 139 H LEU 139 9.300 10.903 11.977 1056 HA LEU 139 HA LEU 139 10.353 11.091 9.226 1057 1HB LEU 139 2HB LEU 139 8.462 9.270 10.360 1058 2HB LEU 139 3HB LEU 139 7.457 10.443 9.538 1059 HG LEU 139 HG LEU 139 8.124 8.281 8.350 1060 1HD1 LEU 139 1HD1 LEU 139 8.361 9.391 6.146 1061 2HD1 LEU 139 2HD1 LEU 139 7.032 9.978 7.161 1062 3HD1 LEU 139 3HD1 LEU 139 8.536 10.941 7.015 1063 1HD2 LEU 139 1HD2 LEU 139 10.212 8.071 7.249 1064 2HD2 LEU 139 2HD2 LEU 139 10.664 9.745 7.593 1065 3HD2 LEU 139 3HD2 LEU 139 10.654 8.549 8.900 1066 H LYS 140 H LYS 140 9.579 12.723 7.933 1067 HA LYS 140 HA LYS 140 7.985 14.927 9.179 1068 1HB LYS 140 2HB LYS 140 10.722 14.868 7.873 1069 2HB LYS 140 3HB LYS 140 9.718 16.284 7.627 1070 1HG LYS 140 2HG LYS 140 10.338 15.258 10.413 1071 2HG LYS 140 3HG LYS 140 11.461 16.241 9.460 1072 1HD LYS 140 2HD LYS 140 9.578 17.951 9.140 1073 2HD LYS 140 3HD LYS 140 8.613 17.025 10.291 1074 1HE LYS 140 2HE LYS 140 9.719 19.020 11.291 1075 2HE LYS 140 3HE LYS 140 10.189 17.518 12.090 1076 1HZ LYS 140 1HZ LYS 140 12.246 17.544 10.913 1077 2HZ LYS 140 2HZ LYS 140 11.828 18.848 10.018 1078 3HZ LYS 140 3HZ LYS 140 12.081 18.984 11.642 1079 H LEU 141 H LEU 141 7.026 16.308 7.460 1080 HA LEU 141 HA LEU 141 6.418 14.798 4.984 1081 1HB LEU 141 2HB LEU 141 5.246 17.439 5.893 1082 2HB LEU 141 3HB LEU 141 4.694 16.291 4.661 1083 HG LEU 141 HG LEU 141 4.640 14.627 6.784 1084 1HD1 LEU 141 1HD1 LEU 141 5.351 16.328 8.483 1085 2HD1 LEU 141 2HD1 LEU 141 4.006 17.368 7.982 1086 3HD1 LEU 141 3HD1 LEU 141 3.691 15.803 8.753 1087 1HD2 LEU 141 1HD2 LEU 141 2.247 15.060 6.915 1088 2HD2 LEU 141 2HD2 LEU 141 2.474 16.656 6.186 1089 3HD2 LEU 141 3HD2 LEU 141 2.770 15.183 5.228 1090 H LYS 142 H LYS 142 6.864 15.778 2.878 1091 HA LYS 142 HA LYS 142 9.090 17.711 2.849 1092 1HB LYS 142 2HB LYS 142 7.409 16.436 0.663 1093 2HB LYS 142 3HB LYS 142 8.643 17.642 0.360 1094 1HG LYS 142 2HG LYS 142 9.841 15.619 2.061 1095 2HG LYS 142 3HG LYS 142 8.969 14.811 0.765 1096 1HD LYS 142 2HD LYS 142 11.131 15.153 -0.088 1097 2HD LYS 142 3HD LYS 142 10.084 16.320 -0.903 1098 1HE LYS 142 2HE LYS 142 10.840 18.023 0.932 1099 2HE LYS 142 3HE LYS 142 12.038 16.816 1.417 1100 1HZ LYS 142 1HZ LYS 142 12.946 18.423 -0.083 1101 2HZ LYS 142 2HZ LYS 142 12.936 16.957 -0.828 1102 3HZ LYS 142 3HZ LYS 142 11.813 18.097 -1.231 1103 H GLY 143 H GLY 143 7.906 19.286 4.170 1104 1HA GLY 143 2HA GLY 143 7.265 21.505 4.177 1105 2HA GLY 143 3HA GLY 143 6.867 21.422 2.456 1106 H GLU 144 H GLU 144 5.004 19.618 2.130 1107 HA GLU 144 HA GLU 144 2.790 19.472 2.056 1108 1HB GLU 144 2HB GLU 144 3.570 18.074 4.076 1109 2HB GLU 144 3HB GLU 144 2.763 19.299 5.069 1110 1HG GLU 144 2HG GLU 144 1.187 17.499 4.647 1111 2HG GLU 144 3HG GLU 144 0.677 18.875 3.667 1112 H GLN 145 H GLN 145 3.639 22.054 1.932 1113 HA GLN 145 HA GLN 145 1.166 23.482 2.340 1114 1HB GLN 145 2HB GLN 145 3.730 24.397 3.761 1115 2HB GLN 145 3HB GLN 145 2.373 25.437 3.343 1116 1HG GLN 145 2HG GLN 145 0.932 23.672 4.680 1117 2HG GLN 145 3HG GLN 145 2.491 23.224 5.392 1118 1HE2 GLN 145 1HE2 GLN 145 -0.099 25.565 5.297 1119 2HE2 GLN 145 2HE2 GLN 145 0.559 26.637 6.521 1120 H ASP 146 H ASP 146 4.656 23.754 1.656 1121 HA ASP 146 HA ASP 146 4.088 25.567 -0.664 1122 1HB ASP 146 2HB ASP 146 6.003 25.815 1.695 1123 2HB ASP 146 3HB ASP 146 6.303 26.650 0.171 1124 H SER 147 H SER 147 5.211 22.610 0.033 1125 HA SER 147 HA SER 147 7.078 22.584 -2.278 1126 1HB SER 147 2HB SER 147 8.152 22.546 0.175 1127 2HB SER 147 3HB SER 147 7.653 20.849 0.115 1128 HG SER 147 HG SER 147 9.518 22.246 -1.467 1129 H ILE 148 H ILE 148 4.161 21.953 -1.663 1130 HA ILE 148 HA ILE 148 3.895 19.078 -1.948 1131 HB ILE 148 HB ILE 148 1.864 21.240 -2.616 1132 1HG1 ILE 148 2HG1 ILE 148 2.268 19.650 -0.053 1133 2HG1 ILE 148 3HG1 ILE 148 2.683 21.362 -0.241 1134 1HG2 ILE 148 1HG2 ILE 148 1.393 18.918 -3.559 1135 2HG2 ILE 148 2HG2 ILE 148 1.498 18.281 -1.912 1136 3HG2 ILE 148 3HG2 ILE 148 0.218 19.425 -2.363 1137 1HD1 ILE 148 1HD1 ILE 148 -0.109 20.172 -0.300 1138 2HD1 ILE 148 2HD1 ILE 148 0.589 21.274 0.884 1139 3HD1 ILE 148 3HD1 ILE 148 0.277 21.850 -0.763 1140 H GLU 149 H GLU 149 5.623 18.943 -3.577 1141 HA GLU 149 HA GLU 149 5.522 19.756 -6.222 1142 1HB GLU 149 2HB GLU 149 6.776 17.562 -4.687 1143 2HB GLU 149 3HB GLU 149 6.421 17.074 -6.334 1144 1HG GLU 149 2HG GLU 149 7.942 19.613 -5.625 1145 2HG GLU 149 3HG GLU 149 8.680 18.067 -6.075 1146 H GLY 150 H GLY 150 3.545 19.876 -7.234 1147 1HA GLY 150 2HA GLY 150 2.793 18.158 -9.047 1148 2HA GLY 150 3HA GLY 150 2.006 17.356 -7.685 1149 H ARG 151 H ARG 151 1.278 20.051 -6.381 1150 HA ARG 151 HA ARG 151 -1.186 20.391 -8.048 1151 1HB ARG 151 2HB ARG 151 -1.064 18.642 -6.032 1152 2HB ARG 151 3HB ARG 151 -1.258 20.090 -5.049 1153 1HG ARG 151 2HG ARG 151 -3.142 19.054 -7.234 1154 2HG ARG 151 3HG ARG 151 -3.363 18.923 -5.480 1155 1HD ARG 151 2HD ARG 151 -3.184 21.525 -5.491 1156 2HD ARG 151 3HD ARG 151 -3.518 21.377 -7.235 1157 HE ARG 151 HE ARG 151 -5.461 19.854 -5.880 1158 1HH1 ARG 151 2HH2 ARG 151 -4.429 23.186 -6.224 1159 2HH1 ARG 151 1HH2 ARG 151 -5.957 23.912 -5.811 1160 1HH2 ARG 151 2HH1 ARG 151 -7.536 20.736 -5.296 1161 2HH2 ARG 151 1HH1 ARG 151 -7.791 22.451 -5.279 Start of MODEL 17 1 1H MET 1 H1 MET 1 1.216 -25.111 7.568 2 2H MET 1 H2 MET 1 1.201 -26.612 8.265 3 3H MET 1 H3 MET 1 1.232 -25.254 9.207 4 HA MET 1 HA MET 1 3.354 -26.278 9.189 5 1HB MET 1 2HB MET 1 3.220 -25.736 6.188 6 2HB MET 1 3HB MET 1 4.702 -26.101 7.094 7 1HG MET 1 2HG MET 1 3.731 -28.256 7.828 8 2HG MET 1 3HG MET 1 2.307 -27.946 6.814 9 1HE MET 1 1HE MET 1 4.198 -30.825 4.944 10 2HE MET 1 2HE MET 1 4.107 -30.588 6.704 11 3HE MET 1 3HE MET 1 2.663 -30.323 5.690 12 H LEU 2 H LEU 2 3.787 -23.780 6.685 13 HA LEU 2 HA LEU 2 3.791 -21.652 8.720 14 1HB LEU 2 2HB LEU 2 5.855 -20.749 7.955 15 2HB LEU 2 3HB LEU 2 6.162 -22.373 8.551 16 HG LEU 2 HG LEU 2 5.744 -21.905 5.562 17 1HD1 LEU 2 1HD1 LEU 2 8.155 -21.517 5.321 18 2HD1 LEU 2 2HD1 LEU 2 7.376 -20.222 6.240 19 3HD1 LEU 2 3HD1 LEU 2 8.331 -21.459 7.088 20 1HD2 LEU 2 1HD2 LEU 2 7.452 -23.880 7.143 21 2HD2 LEU 2 2HD2 LEU 2 5.922 -24.258 6.325 22 3HD2 LEU 2 3HD2 LEU 2 7.329 -23.790 5.376 23 H SER 3 H SER 3 3.859 -19.480 7.578 24 HA SER 3 HA SER 3 3.564 -19.235 4.807 25 1HB SER 3 2HB SER 3 1.168 -20.116 5.547 26 2HB SER 3 3HB SER 3 0.999 -18.519 6.290 27 HG SER 3 HG SER 3 1.435 -19.208 3.572 28 H GLU 4 H GLU 4 3.303 -16.811 4.364 29 HA GLU 4 HA GLU 4 3.246 -15.057 6.703 30 1HB GLU 4 2HB GLU 4 5.680 -15.586 6.398 31 2HB GLU 4 3HB GLU 4 5.610 -14.849 4.786 32 1HG GLU 4 2HG GLU 4 5.006 -12.683 5.784 33 2HG GLU 4 3HG GLU 4 4.843 -13.424 7.385 34 H GLN 5 H GLN 5 1.162 -15.261 5.358 35 HA GLN 5 HA GLN 5 0.977 -13.695 2.936 36 1HB GLN 5 2HB GLN 5 -1.171 -14.243 5.055 37 2HB GLN 5 3HB GLN 5 -1.434 -13.665 3.403 38 1HG GLN 5 2HG GLN 5 -0.485 -16.414 4.279 39 2HG GLN 5 3HG GLN 5 -1.951 -15.994 3.390 40 1HE2 GLN 5 1HE2 GLN 5 1.154 -17.185 3.051 41 2HE2 GLN 5 2HE2 GLN 5 1.599 -16.619 1.445 42 H LYS 6 H LYS 6 0.122 -11.584 2.716 43 HA LYS 6 HA LYS 6 0.148 -9.896 5.189 44 1HB LYS 6 2HB LYS 6 0.526 -7.982 3.906 45 2HB LYS 6 3HB LYS 6 1.824 -9.112 3.494 46 1HG LYS 6 2HG LYS 6 0.843 -9.567 1.318 47 2HG LYS 6 3HG LYS 6 -0.685 -8.817 1.759 48 1HD LYS 6 2HD LYS 6 0.196 -7.160 0.512 49 2HD LYS 6 3HD LYS 6 0.595 -6.623 2.122 50 1HE LYS 6 2HE LYS 6 2.898 -7.737 1.748 51 2HE LYS 6 3HE LYS 6 2.391 -8.022 0.070 52 1HZ LYS 6 1HZ LYS 6 2.153 -5.582 -0.121 53 2HZ LYS 6 2HZ LYS 6 2.767 -5.413 1.378 54 3HZ LYS 6 3HZ LYS 6 3.703 -6.037 0.201 55 H GLU 7 H GLU 7 -1.511 -8.134 4.952 56 HA GLU 7 HA GLU 7 -3.925 -8.850 3.422 57 1HB GLU 7 2HB GLU 7 -3.758 -7.498 6.162 58 2HB GLU 7 3HB GLU 7 -5.218 -7.783 5.221 59 1HG GLU 7 2HG GLU 7 -5.452 -9.750 6.316 60 2HG GLU 7 3HG GLU 7 -4.013 -10.357 5.489 61 H ILE 8 H ILE 8 -4.489 -7.074 2.140 62 HA ILE 8 HA ILE 8 -3.344 -4.427 2.872 63 HB ILE 8 HB ILE 8 -2.551 -5.879 0.653 64 1HG1 ILE 8 2HG1 ILE 8 -1.993 -3.496 -0.305 65 2HG1 ILE 8 3HG1 ILE 8 -2.578 -2.946 1.279 66 1HG2 ILE 8 1HG2 ILE 8 -3.561 -4.883 -1.349 67 2HG2 ILE 8 2HG2 ILE 8 -4.717 -5.823 -0.403 68 3HG2 ILE 8 3HG2 ILE 8 -4.747 -4.040 -0.350 69 1HD1 ILE 8 1HD1 ILE 8 -0.169 -3.309 1.375 70 2HD1 ILE 8 2HD1 ILE 8 -0.938 -4.608 2.314 71 3HD1 ILE 8 3HD1 ILE 8 -0.343 -4.918 0.661 72 H ALA 9 H ALA 9 -5.028 -3.009 3.286 73 HA ALA 9 HA ALA 9 -7.719 -3.646 2.141 74 1HB ALA 9 1HB ALA 9 -7.682 -4.187 4.532 75 2HB ALA 9 2HB ALA 9 -7.028 -2.576 4.905 76 3HB ALA 9 3HB ALA 9 -8.660 -2.737 4.220 77 H MET 10 H MET 10 -7.921 -2.141 0.529 78 HA MET 10 HA MET 10 -7.256 0.701 1.157 79 1HB MET 10 2HB MET 10 -6.489 -0.946 -1.278 80 2HB MET 10 3HB MET 10 -6.441 0.826 -1.259 81 1HG MET 10 2HG MET 10 -4.624 0.921 0.091 82 2HG MET 10 3HG MET 10 -5.066 -0.437 1.063 83 1HE MET 10 1HE MET 10 -4.443 -0.362 -2.836 84 2HE MET 10 2HE MET 10 -3.200 0.676 -2.092 85 3HE MET 10 3HE MET 10 -2.740 -0.889 -2.826 86 H GLN 11 H GLN 11 -8.362 2.158 -0.582 87 HA GLN 11 HA GLN 11 -11.095 1.082 -1.037 88 1HB GLN 11 2HB GLN 11 -10.025 3.829 -0.569 89 2HB GLN 11 3HB GLN 11 -11.385 3.625 -1.710 90 1HG GLN 11 2HG GLN 11 -12.651 2.409 0.073 91 2HG GLN 11 3HG GLN 11 -11.353 2.801 1.207 92 1HE2 GLN 11 1HE2 GLN 11 -11.307 5.479 -0.710 93 2HE2 GLN 11 2HE2 GLN 11 -12.543 6.436 0.075 94 H VAL 12 H VAL 12 -12.064 1.236 -3.060 95 HA VAL 12 HA VAL 12 -10.314 1.757 -5.398 96 HB VAL 12 HB VAL 12 -10.327 -0.605 -5.053 97 1HG1 VAL 12 1HG1 VAL 12 -12.403 -1.947 -4.903 98 2HG1 VAL 12 2HG1 VAL 12 -12.218 -0.900 -3.509 99 3HG1 VAL 12 3HG1 VAL 12 -13.366 -0.461 -4.793 100 1HG2 VAL 12 1HG2 VAL 12 -10.709 0.197 -7.381 101 2HG2 VAL 12 2HG2 VAL 12 -11.286 -1.446 -7.062 102 3HG2 VAL 12 3HG2 VAL 12 -12.450 -0.111 -7.147 103 H SER 13 H SER 13 -11.643 2.274 -7.359 104 HA SER 13 HA SER 13 -14.496 2.771 -6.859 105 1HB SER 13 2HB SER 13 -12.750 4.978 -7.933 106 2HB SER 13 3HB SER 13 -14.459 5.085 -7.510 107 HG SER 13 HG SER 13 -13.580 4.355 -5.310 108 H GLY 14 H GLY 14 -15.615 3.394 -8.812 109 1HA GLY 14 2HA GLY 14 -15.812 3.191 -11.248 110 2HA GLY 14 3HA GLY 14 -14.564 1.936 -11.214 111 H MET 15 H MET 15 -16.240 1.426 -8.381 112 HA MET 15 HA MET 15 -17.538 -0.917 -9.480 113 1HB MET 15 2HB MET 15 -17.380 0.232 -6.663 114 2HB MET 15 3HB MET 15 -18.196 -1.285 -7.100 115 1HG MET 15 2HG MET 15 -16.087 -2.056 -8.186 116 2HG MET 15 3HG MET 15 -15.251 -0.644 -7.523 117 1HE MET 15 1HE MET 15 -14.613 -3.641 -7.453 118 2HE MET 15 2HE MET 15 -13.517 -2.427 -6.794 119 3HE MET 15 3HE MET 15 -13.908 -3.893 -5.853 120 H THR 16 H THR 16 -19.410 -0.906 -10.401 121 HA THR 16 HA THR 16 -21.473 1.117 -9.736 122 HB THR 16 HB THR 16 -21.585 -1.202 -11.702 123 HG1 THR 16 1HG THR 16 -19.901 0.484 -12.021 124 1HG2 THR 16 1HG2 THR 16 -23.334 0.213 -12.777 125 2HG2 THR 16 2HG2 THR 16 -23.815 -0.276 -11.142 126 3HG2 THR 16 3HG2 THR 16 -23.214 1.370 -11.437 127 H CYS 17 H CYS 17 -20.559 -2.227 -8.975 128 HA CYS 17 HA CYS 17 -22.554 -2.537 -6.987 129 1HB CYS 17 2HB CYS 17 -23.961 -2.706 -9.251 130 2HB CYS 17 3HB CYS 17 -23.189 -4.291 -9.395 131 HG CYS 17 HG CYS 17 -24.948 -2.985 -6.925 132 H ALA 18 H ALA 18 -22.679 -4.945 -6.284 133 HA ALA 18 HA ALA 18 -20.244 -6.071 -5.709 134 1HB ALA 18 1HB ALA 18 -21.475 -8.109 -5.179 135 2HB ALA 18 2HB ALA 18 -22.352 -6.675 -4.619 136 3HB ALA 18 3HB ALA 18 -22.884 -7.523 -6.089 137 H ALA 19 H ALA 19 -22.066 -6.537 -8.734 138 HA ALA 19 HA ALA 19 -20.646 -8.759 -9.753 139 1HB ALA 19 1HB ALA 19 -21.775 -6.354 -11.248 140 2HB ALA 19 2HB ALA 19 -21.340 -7.921 -11.963 141 3HB ALA 19 3HB ALA 19 -22.672 -7.822 -10.794 142 H CYS 20 H CYS 20 -19.778 -5.288 -9.754 143 HA CYS 20 HA CYS 20 -17.555 -5.466 -11.608 144 1HB CYS 20 2HB CYS 20 -18.435 -3.447 -9.488 145 2HB CYS 20 3HB CYS 20 -16.944 -3.264 -10.382 146 HG CYS 20 HG CYS 20 -17.792 -2.846 -12.610 147 H ALA 21 H ALA 21 -17.882 -5.138 -8.127 148 HA ALA 21 HA ALA 21 -15.287 -5.648 -7.186 149 1HB ALA 21 1HB ALA 21 -16.595 -5.182 -5.397 150 2HB ALA 21 2HB ALA 21 -18.062 -5.764 -6.172 151 3HB ALA 21 3HB ALA 21 -16.997 -6.923 -5.380 152 H ALA 22 H ALA 22 -17.810 -8.127 -7.684 153 HA ALA 22 HA ALA 22 -16.165 -10.330 -7.068 154 1HB ALA 22 1HB ALA 22 -18.621 -10.443 -7.156 155 2HB ALA 22 2HB ALA 22 -18.584 -10.202 -8.919 156 3HB ALA 22 3HB ALA 22 -17.892 -11.676 -8.205 157 H ARG 23 H ARG 23 -16.666 -8.611 -10.192 158 HA ARG 23 HA ARG 23 -15.234 -10.447 -11.773 159 1HB ARG 23 2HB ARG 23 -16.308 -7.696 -12.024 160 2HB ARG 23 3HB ARG 23 -14.764 -7.852 -12.836 161 1HG ARG 23 2HG ARG 23 -17.195 -9.651 -13.257 162 2HG ARG 23 3HG ARG 23 -16.633 -8.334 -14.301 163 1HD ARG 23 2HD ARG 23 -14.324 -9.756 -14.049 164 2HD ARG 23 3HD ARG 23 -15.472 -11.090 -13.894 165 HE ARG 23 HE ARG 23 -16.420 -9.706 -16.079 166 1HH1 ARG 23 2HH2 ARG 23 -13.312 -11.152 -15.284 167 2HH1 ARG 23 1HH2 ARG 23 -12.788 -11.342 -16.930 168 1HH2 ARG 23 2HH1 ARG 23 -15.755 -9.904 -18.282 169 2HH2 ARG 23 1HH1 ARG 23 -14.234 -10.625 -18.679 170 H ILE 24 H ILE 24 -14.137 -7.574 -9.884 171 HA ILE 24 HA ILE 24 -11.377 -7.827 -10.628 172 HB ILE 24 HB ILE 24 -12.737 -6.624 -8.200 173 1HG1 ILE 24 2HG1 ILE 24 -11.215 -5.240 -10.452 174 2HG1 ILE 24 3HG1 ILE 24 -12.916 -5.637 -10.685 175 1HG2 ILE 24 1HG2 ILE 24 -10.501 -7.340 -7.584 176 2HG2 ILE 24 2HG2 ILE 24 -9.849 -6.398 -8.948 177 3HG2 ILE 24 3HG2 ILE 24 -10.701 -5.599 -7.598 178 1HD1 ILE 24 1HD1 ILE 24 -12.053 -3.297 -9.627 179 2HD1 ILE 24 2HD1 ILE 24 -13.651 -4.014 -9.351 180 3HD1 ILE 24 3HD1 ILE 24 -12.348 -4.205 -8.145 181 H GLU 25 H GLU 25 -13.080 -8.950 -7.586 182 HA GLU 25 HA GLU 25 -10.780 -10.216 -6.671 183 1HB GLU 25 2HB GLU 25 -13.604 -11.137 -6.040 184 2HB GLU 25 3HB GLU 25 -12.136 -11.328 -5.066 185 1HG GLU 25 2HG GLU 25 -13.668 -8.775 -5.633 186 2HG GLU 25 3HG GLU 25 -13.340 -9.552 -4.099 187 H LYS 26 H LYS 26 -13.273 -11.588 -8.878 188 HA LYS 26 HA LYS 26 -12.181 -14.203 -8.850 189 1HB LYS 26 2HB LYS 26 -14.430 -13.765 -9.564 190 2HB LYS 26 3HB LYS 26 -13.863 -12.804 -10.950 191 1HG LYS 26 2HG LYS 26 -12.982 -14.631 -12.041 192 2HG LYS 26 3HG LYS 26 -12.713 -15.549 -10.560 193 1HD LYS 26 2HD LYS 26 -14.371 -16.750 -11.628 194 2HD LYS 26 3HD LYS 26 -15.175 -15.895 -10.305 195 1HE LYS 26 2HE LYS 26 -16.044 -14.211 -11.923 196 2HE LYS 26 3HE LYS 26 -15.164 -15.012 -13.238 197 1HZ LYS 26 1HZ LYS 26 -17.350 -16.213 -11.667 198 2HZ LYS 26 2HZ LYS 26 -17.448 -15.686 -13.219 199 3HZ LYS 26 3HZ LYS 26 -16.506 -16.978 -12.852 200 H GLY 27 H GLY 27 -11.514 -11.283 -10.835 201 1HA GLY 27 2HA GLY 27 -9.651 -12.453 -12.659 202 2HA GLY 27 3HA GLY 27 -9.739 -10.754 -12.159 203 H LEU 28 H LEU 28 -9.270 -10.949 -9.438 204 HA LEU 28 HA LEU 28 -6.399 -11.195 -9.408 205 1HB LEU 28 2HB LEU 28 -8.530 -10.362 -7.411 206 2HB LEU 28 3HB LEU 28 -6.903 -10.685 -6.840 207 HG LEU 28 HG LEU 28 -7.336 -8.243 -7.292 208 1HD1 LEU 28 1HD1 LEU 28 -5.139 -9.378 -9.058 209 2HD1 LEU 28 2HD1 LEU 28 -5.215 -7.810 -8.230 210 3HD1 LEU 28 3HD1 LEU 28 -5.059 -9.301 -7.293 211 1HD2 LEU 28 1HD2 LEU 28 -7.567 -9.019 -10.197 212 2HD2 LEU 28 2HD2 LEU 28 -8.791 -8.340 -9.133 213 3HD2 LEU 28 3HD2 LEU 28 -7.381 -7.378 -9.534 214 H LYS 29 H LYS 29 -9.034 -13.207 -8.122 215 HA LYS 29 HA LYS 29 -7.592 -15.090 -6.666 216 1HB LYS 29 2HB LYS 29 -10.209 -14.963 -7.832 217 2HB LYS 29 3HB LYS 29 -9.491 -16.425 -8.440 218 1HG LYS 29 2HG LYS 29 -10.562 -17.103 -6.533 219 2HG LYS 29 3HG LYS 29 -8.868 -17.025 -6.032 220 1HD LYS 29 2HD LYS 29 -9.307 -15.366 -4.475 221 2HD LYS 29 3HD LYS 29 -10.255 -14.447 -5.637 222 1HE LYS 29 2HE LYS 29 -11.765 -14.976 -3.896 223 2HE LYS 29 3HE LYS 29 -12.201 -15.971 -5.290 224 1HZ LYS 29 1HZ LYS 29 -10.971 -17.797 -4.196 225 2HZ LYS 29 2HZ LYS 29 -10.720 -16.836 -2.880 226 3HZ LYS 29 3HZ LYS 29 -12.244 -17.261 -3.304 227 H ARG 30 H ARG 30 -7.460 -14.485 -10.102 228 HA ARG 30 HA ARG 30 -6.461 -17.033 -10.875 229 1HB ARG 30 2HB ARG 30 -7.435 -14.872 -12.156 230 2HB ARG 30 3HB ARG 30 -5.736 -14.540 -12.427 231 1HG ARG 30 2HG ARG 30 -5.468 -16.477 -13.792 232 2HG ARG 30 3HG ARG 30 -6.749 -17.345 -12.964 233 1HD ARG 30 2HD ARG 30 -8.006 -17.016 -14.707 234 2HD ARG 30 3HD ARG 30 -8.300 -15.402 -14.117 235 HE ARG 30 HE ARG 30 -6.767 -16.304 -16.429 236 1HH1 ARG 30 2HH2 ARG 30 -6.985 -13.656 -14.136 237 2HH1 ARG 30 1HH2 ARG 30 -6.605 -12.399 -15.277 238 1HH2 ARG 30 2HH1 ARG 30 -6.186 -14.709 -17.977 239 2HH2 ARG 30 1HH1 ARG 30 -6.065 -13.042 -17.531 240 H MET 31 H MET 31 -4.915 -14.491 -9.128 241 HA MET 31 HA MET 31 -2.207 -15.126 -10.074 242 1HB MET 31 2HB MET 31 -3.417 -13.241 -8.039 243 2HB MET 31 3HB MET 31 -1.687 -13.565 -8.032 244 1HG MET 31 2HG MET 31 -2.772 -13.019 -10.736 245 2HG MET 31 3HG MET 31 -2.936 -11.674 -9.628 246 1HE MET 31 1HE MET 31 0.322 -11.082 -11.958 247 2HE MET 31 2HE MET 31 -1.112 -12.033 -12.413 248 3HE MET 31 3HE MET 31 -1.304 -10.465 -11.570 249 HA PRO 32 HA PRO 32 -1.724 -18.481 -7.290 250 1HB PRO 32 2HB PRO 32 0.977 -18.718 -7.068 251 2HB PRO 32 3HB PRO 32 0.101 -19.043 -8.587 252 1HG PRO 32 2HG PRO 32 1.534 -16.490 -7.810 253 2HG PRO 32 3HG PRO 32 1.671 -17.399 -9.336 254 1HD PRO 32 2HD PRO 32 0.008 -15.245 -9.103 255 2HD PRO 32 3HD PRO 32 -0.459 -16.674 -10.075 256 H GLY 33 H GLY 33 0.213 -15.516 -6.403 257 1HA GLY 33 2HA GLY 33 0.525 -16.292 -3.672 258 2HA GLY 33 3HA GLY 33 0.766 -14.686 -4.369 259 H VAL 34 H VAL 34 -2.251 -15.121 -5.429 260 HA VAL 34 HA VAL 34 -3.390 -13.545 -3.269 261 HB VAL 34 HB VAL 34 -4.390 -14.501 -5.934 262 1HG1 VAL 34 1HG1 VAL 34 -6.057 -13.374 -3.662 263 2HG1 VAL 34 2HG1 VAL 34 -6.541 -13.361 -5.378 264 3HG1 VAL 34 3HG1 VAL 34 -6.314 -14.899 -4.544 265 1HG2 VAL 34 1HG2 VAL 34 -4.686 -12.066 -6.237 266 2HG2 VAL 34 2HG2 VAL 34 -4.231 -11.776 -4.554 267 3HG2 VAL 34 3HG2 VAL 34 -3.028 -12.398 -5.703 268 H THR 35 H THR 35 -3.873 -14.388 -1.401 269 HA THR 35 HA THR 35 -4.547 -17.246 -1.222 270 HB THR 35 HB THR 35 -3.820 -15.172 0.861 271 HG1 THR 35 1HG THR 35 -1.952 -15.990 0.217 272 1HG2 THR 35 1HG2 THR 35 -3.836 -17.126 2.434 273 2HG2 THR 35 2HG2 THR 35 -5.465 -16.670 1.906 274 3HG2 THR 35 3HG2 THR 35 -4.658 -18.088 1.192 275 H ASP 36 H ASP 36 -5.924 -14.017 -0.322 276 HA ASP 36 HA ASP 36 -8.605 -15.132 -0.767 277 1HB ASP 36 2HB ASP 36 -7.855 -15.558 1.689 278 2HB ASP 36 3HB ASP 36 -8.086 -13.822 1.921 279 H ALA 37 H ALA 37 -9.189 -13.738 -2.300 280 HA ALA 37 HA ALA 37 -8.583 -10.830 -2.091 281 1HB ALA 37 1HB ALA 37 -9.503 -12.561 -4.426 282 2HB ALA 37 2HB ALA 37 -9.151 -10.830 -4.511 283 3HB ALA 37 3HB ALA 37 -7.856 -11.958 -4.140 284 H ASN 38 H ASN 38 -10.188 -9.530 -1.258 285 HA ASN 38 HA ASN 38 -13.002 -10.207 -1.865 286 1HB ASN 38 2HB ASN 38 -11.912 -9.659 0.929 287 2HB ASN 38 3HB ASN 38 -13.619 -9.785 0.488 288 1HD2 ASN 38 1HD2 ASN 38 -10.568 -11.593 0.806 289 2HD2 ASN 38 2HD2 ASN 38 -11.294 -13.194 0.740 290 H VAL 39 H VAL 39 -14.436 -8.367 -1.316 291 HA VAL 39 HA VAL 39 -13.260 -5.773 -0.819 292 HB VAL 39 HB VAL 39 -12.783 -5.889 -3.175 293 1HG1 VAL 39 1HG1 VAL 39 -14.482 -7.637 -3.787 294 2HG1 VAL 39 2HG1 VAL 39 -15.729 -6.406 -3.659 295 3HG1 VAL 39 3HG1 VAL 39 -14.439 -6.254 -4.886 296 1HG2 VAL 39 1HG2 VAL 39 -13.623 -3.817 -3.743 297 2HG2 VAL 39 2HG2 VAL 39 -15.269 -4.174 -3.173 298 3HG2 VAL 39 3HG2 VAL 39 -13.984 -3.783 -2.032 299 H ASN 40 H ASN 40 -14.524 -4.683 0.353 300 HA ASN 40 HA ASN 40 -17.438 -5.382 0.570 301 1HB ASN 40 2HB ASN 40 -15.480 -3.897 2.305 302 2HB ASN 40 3HB ASN 40 -17.156 -3.340 2.299 303 1HD2 ASN 40 1HD2 ASN 40 -18.899 -4.869 2.809 304 2HD2 ASN 40 2HD2 ASN 40 -18.524 -6.204 3.881 305 H LEU 41 H LEU 41 -17.848 -4.744 -1.636 306 HA LEU 41 HA LEU 41 -17.391 -2.153 -2.622 307 1HB LEU 41 2HB LEU 41 -18.757 -2.585 -4.345 308 2HB LEU 41 3HB LEU 41 -18.328 -4.203 -3.835 309 HG LEU 41 HG LEU 41 -20.530 -4.219 -4.497 310 1HD1 LEU 41 1HD1 LEU 41 -20.957 -4.169 -1.507 311 2HD1 LEU 41 2HD1 LEU 41 -21.786 -5.111 -2.738 312 3HD1 LEU 41 3HD1 LEU 41 -20.092 -5.469 -2.359 313 1HD2 LEU 41 1HD2 LEU 41 -21.411 -1.942 -2.719 314 2HD2 LEU 41 2HD2 LEU 41 -21.022 -1.818 -4.447 315 3HD2 LEU 41 3HD2 LEU 41 -22.350 -2.851 -3.900 316 H ALA 42 H ALA 42 -19.603 -3.202 -0.225 317 HA ALA 42 HA ALA 42 -21.450 -1.116 -0.167 318 1HB ALA 42 1HB ALA 42 -20.278 -2.718 2.159 319 2HB ALA 42 2HB ALA 42 -21.793 -1.795 2.205 320 3HB ALA 42 3HB ALA 42 -21.657 -3.215 1.149 321 H THR 43 H THR 43 -18.077 -1.211 0.931 322 HA THR 43 HA THR 43 -18.295 1.674 1.670 323 HB THR 43 HB THR 43 -16.506 1.238 3.312 324 HG1 THR 43 1HG THR 43 -15.589 -0.595 2.459 325 1HG2 THR 43 1HG2 THR 43 -17.841 0.133 5.008 326 2HG2 THR 43 2HG2 THR 43 -18.933 1.112 4.008 327 3HG2 THR 43 3HG2 THR 43 -18.860 -0.649 3.791 328 H GLU 44 H GLU 44 -17.592 -0.072 -0.847 329 HA GLU 44 HA GLU 44 -15.964 -0.368 -2.394 330 1HB GLU 44 2HB GLU 44 -15.801 2.594 -1.744 331 2HB GLU 44 3HB GLU 44 -14.821 1.869 -3.010 332 1HG GLU 44 2HG GLU 44 -16.842 0.959 -4.112 333 2HG GLU 44 3HG GLU 44 -17.838 1.807 -2.914 334 H THR 45 H THR 45 -15.024 -1.483 0.017 335 HA THR 45 HA THR 45 -12.230 -0.478 0.313 336 HB THR 45 HB THR 45 -13.944 -2.184 2.155 337 HG1 THR 45 1HG THR 45 -13.810 -0.229 3.439 338 1HG2 THR 45 1HG2 THR 45 -11.256 -0.822 2.617 339 2HG2 THR 45 2HG2 THR 45 -12.184 -1.814 3.772 340 3HG2 THR 45 3HG2 THR 45 -11.505 -2.560 2.318 341 H VAL 46 H VAL 46 -10.937 -1.718 -1.048 342 HA VAL 46 HA VAL 46 -11.678 -4.516 -1.618 343 HB VAL 46 HB VAL 46 -11.165 -3.309 -3.574 344 1HG1 VAL 46 1HG1 VAL 46 -8.527 -2.416 -2.318 345 2HG1 VAL 46 2HG1 VAL 46 -8.972 -2.228 -4.016 346 3HG1 VAL 46 3HG1 VAL 46 -9.891 -1.374 -2.773 347 1HG2 VAL 46 1HG2 VAL 46 -8.636 -4.813 -2.974 348 2HG2 VAL 46 2HG2 VAL 46 -10.188 -5.634 -3.286 349 3HG2 VAL 46 3HG2 VAL 46 -9.443 -4.619 -4.537 350 H ASN 47 H ASN 47 -10.836 -6.097 -0.383 351 HA ASN 47 HA ASN 47 -8.462 -5.493 1.246 352 1HB ASN 47 2HB ASN 47 -9.558 -6.947 3.015 353 2HB ASN 47 3HB ASN 47 -10.013 -5.249 2.818 354 1HD2 ASN 47 1HD2 ASN 47 -11.857 -5.964 4.198 355 2HD2 ASN 47 2HD2 ASN 47 -13.269 -6.540 3.327 356 H VAL 48 H VAL 48 -6.922 -6.676 0.333 357 HA VAL 48 HA VAL 48 -7.603 -9.404 -0.704 358 HB VAL 48 HB VAL 48 -5.427 -7.640 -1.842 359 1HG1 VAL 48 1HG1 VAL 48 -6.981 -9.836 -3.240 360 2HG1 VAL 48 2HG1 VAL 48 -5.442 -9.118 -3.698 361 3HG1 VAL 48 3HG1 VAL 48 -5.530 -10.212 -2.305 362 1HG2 VAL 48 1HG2 VAL 48 -7.007 -7.144 -3.719 363 2HG2 VAL 48 2HG2 VAL 48 -8.330 -7.814 -2.738 364 3HG2 VAL 48 3HG2 VAL 48 -7.429 -6.382 -2.182 365 H ILE 49 H ILE 49 -6.439 -11.032 0.067 366 HA ILE 49 HA ILE 49 -4.118 -10.482 1.841 367 HB ILE 49 HB ILE 49 -6.186 -12.695 1.884 368 1HG1 ILE 49 2HG1 ILE 49 -5.642 -10.415 3.836 369 2HG1 ILE 49 3HG1 ILE 49 -6.977 -10.446 2.688 370 1HG2 ILE 49 1HG2 ILE 49 -3.883 -13.477 2.599 371 2HG2 ILE 49 2HG2 ILE 49 -3.926 -12.253 3.876 372 3HG2 ILE 49 3HG2 ILE 49 -5.102 -13.577 3.857 373 1HD1 ILE 49 1HD1 ILE 49 -6.640 -12.393 4.994 374 2HD1 ILE 49 2HD1 ILE 49 -7.761 -11.027 4.891 375 3HD1 ILE 49 3HD1 ILE 49 -7.953 -12.401 3.788 376 H TYR 50 H TYR 50 -2.174 -11.329 1.159 377 HA TYR 50 HA TYR 50 -2.100 -13.553 -0.685 378 1HB TYR 50 2HB TYR 50 -1.086 -12.187 -2.597 379 2HB TYR 50 3HB TYR 50 -2.783 -11.842 -2.280 380 HD1 TYR 50 HD1 TYR 50 -3.582 -9.847 -1.311 381 HD2 TYR 50 HD2 TYR 50 0.606 -10.384 -2.145 382 HE1 TYR 50 HE1 TYR 50 -3.264 -7.422 -1.171 383 HE2 TYR 50 HE2 TYR 50 0.918 -7.921 -2.078 384 HH TYR 50 HH TYR 50 -1.812 -5.734 -1.274 385 H ASP 51 H ASP 51 0.125 -13.919 -1.584 386 HA ASP 51 HA ASP 51 1.931 -13.727 0.656 387 1HB ASP 51 2HB ASP 51 1.500 -15.739 -0.954 388 2HB ASP 51 3HB ASP 51 2.680 -14.954 -2.004 389 HA PRO 52 HA PRO 52 4.025 -10.207 -1.341 390 1HB PRO 52 2HB PRO 52 5.790 -9.518 0.639 391 2HB PRO 52 3HB PRO 52 4.036 -9.361 0.859 392 1HG PRO 52 2HG PRO 52 5.756 -11.670 1.769 393 2HG PRO 52 3HG PRO 52 4.611 -10.712 2.752 394 1HD PRO 52 2HD PRO 52 3.940 -13.085 1.561 395 2HD PRO 52 3HD PRO 52 2.749 -11.764 1.758 396 H ALA 53 H ALA 53 4.710 -12.882 -2.162 397 HA ALA 53 HA ALA 53 7.435 -12.458 -3.056 398 1HB ALA 53 1HB ALA 53 6.958 -14.782 -1.137 399 2HB ALA 53 2HB ALA 53 8.474 -14.405 -1.973 400 3HB ALA 53 3HB ALA 53 7.873 -13.314 -0.705 401 H GLU 54 H GLU 54 4.848 -12.969 -4.074 402 HA GLU 54 HA GLU 54 5.613 -14.951 -6.063 403 1HB GLU 54 2HB GLU 54 2.985 -15.080 -4.501 404 2HB GLU 54 3HB GLU 54 3.217 -15.807 -6.096 405 1HG GLU 54 2HG GLU 54 5.278 -17.011 -5.005 406 2HG GLU 54 3HG GLU 54 4.504 -16.596 -3.466 407 H THR 55 H THR 55 3.130 -12.583 -4.845 408 HA THR 55 HA THR 55 2.425 -11.870 -7.604 409 HB THR 55 HB THR 55 1.162 -11.680 -4.845 410 HG1 THR 55 1HG THR 55 -0.321 -13.069 -5.922 411 1HG2 THR 55 1HG2 THR 55 0.414 -9.678 -6.065 412 2HG2 THR 55 2HG2 THR 55 0.270 -10.672 -7.527 413 3HG2 THR 55 3HG2 THR 55 -0.804 -10.963 -6.118 414 H GLY 56 H GLY 56 2.060 -9.781 -4.772 415 1HA GLY 56 2HA GLY 56 3.871 -8.237 -4.069 416 2HA GLY 56 3HA GLY 56 4.252 -7.979 -5.776 417 H THR 57 H THR 57 2.673 -6.704 -3.308 418 HA THR 57 HA THR 57 0.153 -5.952 -3.872 419 HB THR 57 HB THR 57 1.308 -5.389 -1.883 420 HG1 THR 57 1HG THR 57 -0.584 -4.371 -2.294 421 1HG2 THR 57 1HG2 THR 57 3.447 -4.574 -2.695 422 2HG2 THR 57 2HG2 THR 57 2.608 -3.234 -3.508 423 3HG2 THR 57 3HG2 THR 57 2.622 -3.327 -1.734 424 H ALA 58 H ALA 58 2.943 -4.372 -5.426 425 HA ALA 58 HA ALA 58 1.543 -2.446 -6.891 426 1HB ALA 58 1HB ALA 58 4.037 -3.981 -7.715 427 2HB ALA 58 2HB ALA 58 3.463 -2.451 -8.419 428 3HB ALA 58 3HB ALA 58 3.984 -2.503 -6.725 429 H ALA 59 H ALA 59 2.039 -5.919 -7.647 430 HA ALA 59 HA ALA 59 0.919 -5.721 -10.297 431 1HB ALA 59 1HB ALA 59 0.907 -8.091 -10.287 432 2HB ALA 59 2HB ALA 59 2.447 -7.517 -9.594 433 3HB ALA 59 3HB ALA 59 1.160 -8.151 -8.527 434 H ILE 60 H ILE 60 -0.365 -6.116 -7.017 435 HA ILE 60 HA ILE 60 -2.955 -7.141 -7.760 436 HB ILE 60 HB ILE 60 -2.407 -5.366 -5.370 437 1HG1 ILE 60 2HG1 ILE 60 -0.713 -7.323 -5.459 438 2HG1 ILE 60 3HG1 ILE 60 -1.709 -7.045 -4.036 439 1HG2 ILE 60 1HG2 ILE 60 -4.390 -7.595 -5.814 440 2HG2 ILE 60 2HG2 ILE 60 -4.118 -6.750 -4.283 441 3HG2 ILE 60 3HG2 ILE 60 -4.745 -5.856 -5.692 442 1HD1 ILE 60 1HD1 ILE 60 -3.109 -8.916 -4.487 443 2HD1 ILE 60 2HD1 ILE 60 -2.335 -9.163 -6.081 444 3HD1 ILE 60 3HD1 ILE 60 -1.422 -9.389 -4.557 445 H GLN 61 H GLN 61 -1.649 -3.820 -7.066 446 HA GLN 61 HA GLN 61 -4.108 -2.547 -7.776 447 1HB GLN 61 2HB GLN 61 -3.171 -0.611 -7.161 448 2HB GLN 61 3HB GLN 61 -2.032 -1.698 -6.373 449 1HG GLN 61 2HG GLN 61 -0.581 -1.384 -8.507 450 2HG GLN 61 3HG GLN 61 -1.682 -0.086 -8.925 451 1HE2 GLN 61 1HE2 GLN 61 -1.575 1.876 -7.405 452 2HE2 GLN 61 2HE2 GLN 61 -0.166 2.052 -6.355 453 H GLU 62 H GLU 62 -1.196 -3.456 -9.648 454 HA GLU 62 HA GLU 62 -1.822 -2.193 -12.083 455 1HB GLU 62 2HB GLU 62 0.292 -3.400 -11.479 456 2HB GLU 62 3HB GLU 62 -0.606 -4.928 -11.588 457 1HG GLU 62 2HG GLU 62 0.708 -4.661 -13.546 458 2HG GLU 62 3HG GLU 62 -1.013 -4.551 -13.957 459 H LYS 63 H LYS 63 -3.153 -5.259 -10.602 460 HA LYS 63 HA LYS 63 -4.474 -6.020 -13.023 461 1HB LYS 63 2HB LYS 63 -3.691 -7.370 -10.820 462 2HB LYS 63 3HB LYS 63 -5.300 -6.901 -10.292 463 1HG LYS 63 2HG LYS 63 -5.706 -8.929 -11.232 464 2HG LYS 63 3HG LYS 63 -6.045 -7.904 -12.627 465 1HD LYS 63 2HD LYS 63 -3.447 -9.403 -11.989 466 2HD LYS 63 3HD LYS 63 -4.728 -10.011 -13.046 467 1HE LYS 63 2HE LYS 63 -4.372 -7.974 -14.532 468 2HE LYS 63 3HE LYS 63 -2.955 -7.570 -13.532 469 1HZ LYS 63 1HZ LYS 63 -2.330 -8.790 -15.475 470 2HZ LYS 63 2HZ LYS 63 -2.002 -9.682 -14.136 471 3HZ LYS 63 3HZ LYS 63 -3.303 -10.049 -15.078 472 H ILE 64 H ILE 64 -5.415 -4.272 -10.022 473 HA ILE 64 HA ILE 64 -8.161 -3.899 -10.613 474 HB ILE 64 HB ILE 64 -6.202 -2.022 -9.223 475 1HG1 ILE 64 2HG1 ILE 64 -6.462 -4.360 -8.218 476 2HG1 ILE 64 3HG1 ILE 64 -6.670 -2.951 -7.176 477 1HG2 ILE 64 1HG2 ILE 64 -8.120 -0.731 -9.841 478 2HG2 ILE 64 2HG2 ILE 64 -9.215 -1.987 -9.218 479 3HG2 ILE 64 3HG2 ILE 64 -8.184 -1.064 -8.109 480 1HD1 ILE 64 1HD1 ILE 64 -8.979 -4.322 -8.534 481 2HD1 ILE 64 2HD1 ILE 64 -8.379 -4.805 -6.925 482 3HD1 ILE 64 3HD1 ILE 64 -9.034 -3.172 -7.181 483 H GLU 65 H GLU 65 -5.316 -1.875 -11.558 484 HA GLU 65 HA GLU 65 -6.896 -0.067 -13.097 485 1HB GLU 65 2HB GLU 65 -3.925 -0.692 -13.309 486 2HB GLU 65 3HB GLU 65 -4.778 0.625 -14.135 487 1HG GLU 65 2HG GLU 65 -5.625 1.399 -11.853 488 2HG GLU 65 3HG GLU 65 -4.499 0.248 -11.121 489 H LYS 66 H LYS 66 -5.042 -2.980 -14.247 490 HA LYS 66 HA LYS 66 -5.936 -2.832 -16.922 491 1HB LYS 66 2HB LYS 66 -4.964 -5.014 -15.084 492 2HB LYS 66 3HB LYS 66 -5.754 -5.500 -16.576 493 1HG LYS 66 2HG LYS 66 -4.021 -5.053 -17.819 494 2HG LYS 66 3HG LYS 66 -3.877 -3.396 -17.249 495 1HD LYS 66 2HD LYS 66 -2.382 -3.868 -15.607 496 2HD LYS 66 3HD LYS 66 -2.779 -5.596 -15.503 497 1HE LYS 66 2HE LYS 66 -1.656 -6.111 -17.563 498 2HE LYS 66 3HE LYS 66 -1.591 -4.406 -18.045 499 1HZ LYS 66 1HZ LYS 66 0.550 -5.199 -17.271 500 2HZ LYS 66 2HZ LYS 66 -0.040 -3.957 -16.378 501 3HZ LYS 66 3HZ LYS 66 -0.070 -5.449 -15.756 502 H LEU 67 H LEU 67 -7.703 -4.109 -14.094 503 HA LEU 67 HA LEU 67 -9.880 -5.150 -15.674 504 1HB LEU 67 2HB LEU 67 -9.366 -4.672 -12.790 505 2HB LEU 67 3HB LEU 67 -11.042 -4.718 -13.288 506 HG LEU 67 HG LEU 67 -9.572 -6.935 -14.540 507 1HD1 LEU 67 1HD1 LEU 67 -9.547 -6.700 -11.528 508 2HD1 LEU 67 2HD1 LEU 67 -9.325 -8.222 -12.435 509 3HD1 LEU 67 3HD1 LEU 67 -8.190 -6.882 -12.659 510 1HD2 LEU 67 1HD2 LEU 67 -11.983 -6.787 -12.677 511 2HD2 LEU 67 2HD2 LEU 67 -12.035 -6.746 -14.450 512 3HD2 LEU 67 3HD2 LEU 67 -11.469 -8.205 -13.611 513 H GLY 68 H GLY 68 -8.928 -1.906 -15.055 514 1HA GLY 68 2HA GLY 68 -9.846 -0.065 -16.074 515 2HA GLY 68 3HA GLY 68 -11.353 -0.931 -16.396 516 H TYR 69 H TYR 69 -9.586 -0.502 -13.307 517 HA TYR 69 HA TYR 69 -11.789 1.226 -12.223 518 1HB TYR 69 2HB TYR 69 -10.320 -1.087 -10.924 519 2HB TYR 69 3HB TYR 69 -11.351 0.036 -10.039 520 HD1 TYR 69 HD1 TYR 69 -11.277 -2.580 -12.649 521 HD2 TYR 69 HD2 TYR 69 -13.765 -0.199 -10.083 522 HE1 TYR 69 HE1 TYR 69 -13.272 -3.837 -13.434 523 HE2 TYR 69 HE2 TYR 69 -15.760 -1.423 -10.887 524 HH TYR 69 HH TYR 69 -15.520 -4.028 -13.332 525 H HIS 70 H HIS 70 -10.893 2.253 -10.067 526 HA HIS 70 HA HIS 70 -8.011 2.966 -10.409 527 1HB HIS 70 2HB HIS 70 -10.108 4.715 -11.054 528 2HB HIS 70 3HB HIS 70 -9.720 5.157 -9.398 529 HD1 HIS 70 1HD HIS 70 -8.312 5.315 -12.919 530 HD2 HIS 70 2HD HIS 70 -7.104 6.014 -8.947 531 HE1 HIS 70 1HE HIS 70 -6.137 6.648 -13.037 532 H VAL 71 H VAL 71 -6.908 3.312 -8.448 533 HA VAL 71 HA VAL 71 -8.300 2.324 -6.030 534 HB VAL 71 HB VAL 71 -6.052 2.097 -5.122 535 1HG1 VAL 71 1HG1 VAL 71 -6.407 0.646 -7.769 536 2HG1 VAL 71 2HG1 VAL 71 -5.443 0.111 -6.377 537 3HG1 VAL 71 3HG1 VAL 71 -7.205 0.215 -6.236 538 1HG2 VAL 71 1HG2 VAL 71 -4.836 3.792 -6.470 539 2HG2 VAL 71 2HG2 VAL 71 -4.069 2.202 -6.522 540 3HG2 VAL 71 3HG2 VAL 71 -5.018 2.764 -7.909 541 H VAL 72 H VAL 72 -8.466 3.571 -4.184 542 HA VAL 72 HA VAL 72 -7.939 6.498 -4.452 543 HB VAL 72 HB VAL 72 -9.338 4.853 -2.337 544 1HG1 VAL 72 1HG1 VAL 72 -8.956 7.871 -2.568 545 2HG1 VAL 72 2HG1 VAL 72 -10.057 7.081 -1.426 546 3HG1 VAL 72 3HG1 VAL 72 -8.318 6.826 -1.282 547 1HG2 VAL 72 1HG2 VAL 72 -11.383 6.006 -3.163 548 2HG2 VAL 72 2HG2 VAL 72 -10.419 6.787 -4.431 549 3HG2 VAL 72 3HG2 VAL 72 -10.638 5.026 -4.431 550 H THR 73 H THR 73 -5.651 6.393 -4.501 551 HA THR 73 HA THR 73 -4.333 5.887 -1.947 552 HB THR 73 HB THR 73 -3.297 4.400 -4.387 553 HG1 THR 73 1HG THR 73 -5.360 3.622 -2.610 554 1HG2 THR 73 1HG2 THR 73 -2.240 3.011 -2.737 555 2HG2 THR 73 2HG2 THR 73 -1.970 4.689 -2.249 556 3HG2 THR 73 3HG2 THR 73 -3.223 3.701 -1.429 557 H GLU 74 H GLU 74 -2.594 7.332 -1.751 558 HA GLU 74 HA GLU 74 -2.044 9.046 -4.144 559 1HB GLU 74 2HB GLU 74 -2.471 9.890 -1.246 560 2HB GLU 74 3HB GLU 74 -1.940 10.938 -2.568 561 1HG GLU 74 2HG GLU 74 -4.040 10.256 -3.829 562 2HG GLU 74 3HG GLU 74 -4.613 9.522 -2.315 563 H LYS 75 H LYS 75 -0.049 9.586 -4.543 564 HA LYS 75 HA LYS 75 2.167 8.395 -3.036 565 1HB LYS 75 2HB LYS 75 3.554 8.838 -4.878 566 2HB LYS 75 3HB LYS 75 2.116 7.947 -5.337 567 1HG LYS 75 2HG LYS 75 1.219 10.424 -5.947 568 2HG LYS 75 3HG LYS 75 2.952 10.742 -6.003 569 1HD LYS 75 2HD LYS 75 2.451 10.127 -8.223 570 2HD LYS 75 3HD LYS 75 3.142 8.656 -7.511 571 1HE LYS 75 2HE LYS 75 0.659 7.963 -7.005 572 2HE LYS 75 3HE LYS 75 0.194 9.326 -8.024 573 1HZ LYS 75 1HZ LYS 75 1.425 8.258 -9.826 574 2HZ LYS 75 2HZ LYS 75 1.783 6.983 -8.842 575 3HZ LYS 75 3HZ LYS 75 0.225 7.296 -9.244 576 H ALA 76 H ALA 76 2.413 9.565 -1.244 577 HA ALA 76 HA ALA 76 3.020 12.524 -1.473 578 1HB ALA 76 1HB ALA 76 1.488 12.241 0.276 579 2HB ALA 76 2HB ALA 76 2.270 10.769 0.873 580 3HB ALA 76 3HB ALA 76 3.056 12.345 1.094 581 H GLU 77 H GLU 77 5.029 13.320 -0.404 582 HA GLU 77 HA GLU 77 7.201 11.291 -0.194 583 1HB GLU 77 2HB GLU 77 7.214 14.019 -1.526 584 2HB GLU 77 3HB GLU 77 8.621 13.465 -0.629 585 1HG GLU 77 2HG GLU 77 8.287 11.252 -2.107 586 2HG GLU 77 3HG GLU 77 7.581 12.435 -3.213 587 H PHE 78 H PHE 78 8.167 11.188 1.682 588 HA PHE 78 HA PHE 78 8.041 13.495 3.573 589 1HB PHE 78 2HB PHE 78 7.789 10.530 4.174 590 2HB PHE 78 3HB PHE 78 7.890 11.780 5.399 591 HD1 PHE 78 1HD PHE 78 5.916 13.776 3.788 592 HD2 PHE 78 2HD PHE 78 5.685 9.639 5.021 593 HE1 PHE 78 1HE PHE 78 3.502 13.829 3.489 594 HE2 PHE 78 2HE PHE 78 3.219 9.778 4.821 595 HZ PHE 78 HZ PHE 78 2.133 11.831 3.971 596 H ASP 79 H ASP 79 9.818 13.723 4.887 597 HA ASP 79 HA ASP 79 12.360 12.888 3.576 598 1HB ASP 79 2HB ASP 79 11.947 15.236 3.428 599 2HB ASP 79 3HB ASP 79 11.345 15.325 5.087 600 H ILE 80 H ILE 80 14.047 11.927 4.927 601 HA ILE 80 HA ILE 80 12.951 10.905 7.519 602 HB ILE 80 HB ILE 80 15.030 9.619 5.751 603 1HG1 ILE 80 2HG1 ILE 80 11.997 9.329 5.539 604 2HG1 ILE 80 3HG1 ILE 80 13.086 10.018 4.319 605 1HG2 ILE 80 1HG2 ILE 80 14.761 8.806 8.105 606 2HG2 ILE 80 2HG2 ILE 80 13.048 8.481 7.777 607 3HG2 ILE 80 3HG2 ILE 80 14.314 7.577 6.924 608 1HD1 ILE 80 1HD1 ILE 80 12.915 7.994 3.504 609 2HD1 ILE 80 2HD1 ILE 80 14.378 7.813 4.468 610 3HD1 ILE 80 3HD1 ILE 80 12.811 7.186 5.096 611 H GLU 81 H GLU 81 14.033 11.376 9.361 612 HA GLU 81 HA GLU 81 16.938 12.144 9.142 613 1HB GLU 81 2HB GLU 81 15.076 13.149 11.285 614 2HB GLU 81 3HB GLU 81 16.699 13.684 10.885 615 1HG GLU 81 2HG GLU 81 15.922 14.535 8.701 616 2HG GLU 81 3HG GLU 81 14.272 14.021 9.054 617 H GLY 82 H GLY 82 17.883 10.190 9.576 618 1HA GLY 82 2HA GLY 82 18.265 9.332 12.156 619 2HA GLY 82 3HA GLY 82 16.880 8.359 11.622 620 H MET 83 H MET 83 17.304 7.643 9.076 621 HA MET 83 HA MET 83 19.406 5.817 9.120 622 1HB MET 83 2HB MET 83 18.808 5.351 6.845 623 2HB MET 83 3HB MET 83 17.319 5.765 7.705 624 1HG MET 83 2HG MET 83 16.996 6.966 5.805 625 2HG MET 83 3HG MET 83 17.861 8.204 6.715 626 1HE MET 83 1HE MET 83 18.488 9.499 4.534 627 2HE MET 83 2HE MET 83 19.124 8.725 3.060 628 3HE MET 83 3HE MET 83 17.479 8.340 3.627 629 H THR 84 H THR 84 21.485 6.017 8.925 630 HA THR 84 HA THR 84 22.694 8.328 7.463 631 HB THR 84 HB THR 84 22.849 8.506 9.924 632 HG1 THR 84 1HG THR 84 25.055 8.905 9.932 633 1HG2 THR 84 1HG2 THR 84 24.327 6.998 11.190 634 2HG2 THR 84 2HG2 THR 84 22.941 6.107 10.551 635 3HG2 THR 84 3HG2 THR 84 24.534 5.962 9.769 636 H CYS 85 H CYS 85 22.111 5.008 7.332 637 HA CYS 85 HA CYS 85 24.225 4.617 5.398 638 1HB CYS 85 2HB CYS 85 25.263 4.007 7.689 639 2HB CYS 85 3HB CYS 85 24.061 2.698 7.767 640 HG CYS 85 HG CYS 85 26.377 3.377 5.519 641 H ALA 86 H ALA 86 23.792 2.481 4.289 642 HA ALA 86 HA ALA 86 20.988 2.353 3.641 643 1HB ALA 86 1HB ALA 86 23.349 0.684 2.691 644 2HB ALA 86 2HB ALA 86 21.736 0.742 1.946 645 3HB ALA 86 3HB ALA 86 22.760 2.191 1.954 646 H ALA 87 H ALA 87 20.494 1.796 5.961 647 HA ALA 87 HA ALA 87 19.886 -1.097 6.123 648 1HB ALA 87 1HB ALA 87 20.715 -1.220 8.459 649 2HB ALA 87 2HB ALA 87 22.032 -0.904 7.312 650 3HB ALA 87 3HB ALA 87 21.390 0.419 8.310 651 H CYS 88 H CYS 88 19.637 2.067 7.972 652 HA CYS 88 HA CYS 88 17.237 1.297 9.279 653 1HB CYS 88 2HB CYS 88 18.472 3.960 8.590 654 2HB CYS 88 3HB CYS 88 17.096 3.784 9.696 655 HG CYS 88 HG CYS 88 19.223 4.220 11.100 656 H ALA 89 H ALA 89 17.964 3.105 6.284 657 HA ALA 89 HA ALA 89 15.322 3.814 5.527 658 1HB ALA 89 1HB ALA 89 17.349 4.770 4.478 659 2HB ALA 89 2HB ALA 89 17.748 3.186 3.775 660 3HB ALA 89 3HB ALA 89 16.284 4.044 3.263 661 H ASN 90 H ASN 90 17.314 0.902 4.812 662 HA ASN 90 HA ASN 90 15.392 -0.312 3.104 663 1HB ASN 90 2HB ASN 90 17.514 -1.631 4.851 664 2HB ASN 90 3HB ASN 90 16.608 -2.430 3.559 665 1HD2 ASN 90 1HD2 ASN 90 19.603 -1.920 3.804 666 2HD2 ASN 90 2HD2 ASN 90 19.975 -1.063 2.336 667 H ARG 91 H ARG 91 15.930 -0.615 6.647 668 HA ARG 91 HA ARG 91 13.834 -2.461 7.089 669 1HB ARG 91 2HB ARG 91 15.765 -1.110 8.661 670 2HB ARG 91 3HB ARG 91 14.222 -0.556 9.306 671 1HG ARG 91 2HG ARG 91 13.442 -2.900 9.409 672 2HG ARG 91 3HG ARG 91 15.021 -3.471 8.857 673 1HD ARG 91 2HD ARG 91 14.559 -1.827 11.393 674 2HD ARG 91 3HD ARG 91 14.637 -3.576 11.397 675 HE ARG 91 HE ARG 91 16.840 -1.687 11.217 676 1HH1 ARG 91 2HH2 ARG 91 15.881 -4.953 10.318 677 2HH1 ARG 91 1HH2 ARG 91 17.471 -5.640 10.438 678 1HH2 ARG 91 2HH1 ARG 91 18.977 -2.556 11.398 679 2HH2 ARG 91 1HH1 ARG 91 19.277 -4.223 11.038 680 H ILE 92 H ILE 92 13.848 1.126 7.186 681 HA ILE 92 HA ILE 92 11.140 1.424 7.889 682 HB ILE 92 HB ILE 92 13.299 3.121 7.407 683 1HG1 ILE 92 2HG1 ILE 92 10.423 3.819 8.038 684 2HG1 ILE 92 3HG1 ILE 92 11.683 3.315 9.176 685 1HG2 ILE 92 1HG2 ILE 92 12.675 4.835 5.895 686 2HG2 ILE 92 2HG2 ILE 92 12.644 3.341 5.005 687 3HG2 ILE 92 3HG2 ILE 92 11.119 4.063 5.529 688 1HD1 ILE 92 1HD1 ILE 92 13.051 5.316 8.427 689 2HD1 ILE 92 2HD1 ILE 92 11.605 5.890 7.556 690 3HD1 ILE 92 3HD1 ILE 92 11.559 5.695 9.306 691 H GLU 93 H GLU 93 12.662 0.965 4.668 692 HA GLU 93 HA GLU 93 10.366 1.430 3.097 693 1HB GLU 93 2HB GLU 93 12.768 1.154 2.233 694 2HB GLU 93 3HB GLU 93 12.624 -0.566 2.553 695 1HG GLU 93 2HG GLU 93 10.319 -0.168 1.143 696 2HG GLU 93 3HG GLU 93 11.330 1.070 0.431 697 H LYS 94 H LYS 94 11.838 -1.609 4.305 698 HA LYS 94 HA LYS 94 9.818 -3.349 3.415 699 1HB LYS 94 2HB LYS 94 11.639 -3.580 5.840 700 2HB LYS 94 3HB LYS 94 10.727 -4.934 5.163 701 1HG LYS 94 2HG LYS 94 12.683 -3.331 3.465 702 2HG LYS 94 3HG LYS 94 13.236 -4.624 4.507 703 1HD LYS 94 2HD LYS 94 10.953 -5.274 2.658 704 2HD LYS 94 3HD LYS 94 12.493 -4.866 1.896 705 1HE LYS 94 2HE LYS 94 13.648 -6.586 3.325 706 2HE LYS 94 3HE LYS 94 12.071 -7.067 3.980 707 1HZ LYS 94 1HZ LYS 94 12.895 -7.201 1.146 708 2HZ LYS 94 2HZ LYS 94 12.792 -8.476 2.177 709 3HZ LYS 94 3HZ LYS 94 11.429 -7.673 1.729 710 H ARG 95 H ARG 95 9.805 -1.217 6.214 711 HA ARG 95 HA ARG 95 7.337 -2.421 7.317 712 1HB ARG 95 2HB ARG 95 8.739 0.220 7.862 713 2HB ARG 95 3HB ARG 95 7.256 -0.292 8.665 714 1HG ARG 95 2HG ARG 95 9.687 -2.117 8.625 715 2HG ARG 95 3HG ARG 95 9.606 -0.757 9.721 716 1HD ARG 95 2HD ARG 95 7.659 -1.570 10.839 717 2HD ARG 95 3HD ARG 95 7.271 -2.721 9.587 718 HE ARG 95 HE ARG 95 9.125 -3.045 11.799 719 1HH1 ARG 95 2HH2 ARG 95 8.492 -4.066 8.498 720 2HH1 ARG 95 1HH2 ARG 95 9.072 -5.695 8.689 721 1HH2 ARG 95 2HH1 ARG 95 9.997 -5.181 12.101 722 2HH2 ARG 95 1HH1 ARG 95 10.000 -6.320 10.795 723 H LEU 96 H LEU 96 7.979 0.791 5.878 724 HA LEU 96 HA LEU 96 5.352 1.628 5.617 725 1HB LEU 96 2HB LEU 96 7.866 2.333 4.133 726 2HB LEU 96 3HB LEU 96 6.306 3.026 3.686 727 HG LEU 96 HG LEU 96 6.648 3.206 6.598 728 1HD1 LEU 96 1HD1 LEU 96 8.969 3.378 6.240 729 2HD1 LEU 96 2HD1 LEU 96 8.769 4.480 4.860 730 3HD1 LEU 96 3HD1 LEU 96 8.362 5.011 6.509 731 1HD2 LEU 96 1HD2 LEU 96 6.360 5.322 4.417 732 2HD2 LEU 96 2HD2 LEU 96 5.007 4.444 5.165 733 3HD2 LEU 96 3HD2 LEU 96 6.028 5.519 6.149 734 H ASN 97 H ASN 97 7.228 -0.279 3.334 735 HA ASN 97 HA ASN 97 5.926 -0.658 1.058 736 1HB ASN 97 2HB ASN 97 7.842 -2.032 2.050 737 2HB ASN 97 3HB ASN 97 6.627 -3.019 2.861 738 1HD2 ASN 97 1HD2 ASN 97 8.371 -2.294 -0.038 739 2HD2 ASN 97 2HD2 ASN 97 7.618 -3.461 -1.083 740 H LYS 98 H LYS 98 4.678 -1.851 4.186 741 HA LYS 98 HA LYS 98 1.985 -1.835 3.107 742 1HB LYS 98 2HB LYS 98 1.522 -4.217 3.922 743 2HB LYS 98 3HB LYS 98 2.243 -3.939 2.348 744 1HG LYS 98 2HG LYS 98 4.333 -4.765 2.946 745 2HG LYS 98 3HG LYS 98 4.153 -4.329 4.644 746 1HD LYS 98 2HD LYS 98 2.243 -6.394 3.641 747 2HD LYS 98 3HD LYS 98 3.928 -6.916 3.747 748 1HE LYS 98 2HE LYS 98 2.475 -5.535 6.050 749 2HE LYS 98 3HE LYS 98 2.375 -7.281 5.793 750 1HZ LYS 98 1HZ LYS 98 4.719 -7.455 6.010 751 2HZ LYS 98 2HZ LYS 98 4.902 -5.823 6.160 752 3HZ LYS 98 3HZ LYS 98 4.114 -6.681 7.325 753 H ILE 99 H ILE 99 2.793 -0.087 4.839 754 HA ILE 99 HA ILE 99 1.772 -0.925 7.494 755 HB ILE 99 HB ILE 99 2.469 1.765 6.296 756 1HG1 ILE 99 2HG1 ILE 99 3.496 0.161 8.680 757 2HG1 ILE 99 3HG1 ILE 99 4.266 0.243 7.100 758 1HG2 ILE 99 1HG2 ILE 99 1.862 2.763 8.469 759 2HG2 ILE 99 2HG2 ILE 99 0.444 2.130 7.672 760 3HG2 ILE 99 3HG2 ILE 99 1.177 1.215 9.004 761 1HD1 ILE 99 1HD1 ILE 99 5.447 1.765 8.490 762 2HD1 ILE 99 2HD1 ILE 99 4.439 2.774 7.427 763 3HD1 ILE 99 3HD1 ILE 99 3.962 2.493 9.113 764 H GLU 100 H GLU 100 -0.089 -1.996 7.058 765 HA GLU 100 HA GLU 100 -2.302 -2.288 6.915 766 1HB GLU 100 2HB GLU 100 -2.152 0.685 7.488 767 2HB GLU 100 3HB GLU 100 -3.704 -0.142 7.347 768 1HG GLU 100 2HG GLU 100 -3.186 -1.673 9.112 769 2HG GLU 100 3HG GLU 100 -1.492 -1.150 9.187 770 H GLY 101 H GLY 101 -2.091 0.767 5.076 771 1HA GLY 101 2HA GLY 101 -3.568 -0.557 2.811 772 2HA GLY 101 3HA GLY 101 -4.133 0.966 3.516 773 H VAL 102 H VAL 102 -0.803 -0.138 2.936 774 HA VAL 102 HA VAL 102 -0.274 2.169 1.133 775 HB VAL 102 HB VAL 102 1.621 0.305 2.564 776 1HG1 VAL 102 1HG1 VAL 102 3.291 2.119 1.832 777 2HG1 VAL 102 2HG1 VAL 102 2.693 1.051 0.553 778 3HG1 VAL 102 3HG1 VAL 102 2.035 2.696 0.745 779 1HG2 VAL 102 1HG2 VAL 102 0.200 2.359 3.750 780 2HG2 VAL 102 2HG2 VAL 102 1.813 1.807 4.225 781 3HG2 VAL 102 3HG2 VAL 102 1.643 3.214 3.190 782 H ALA 103 H ALA 103 -0.005 1.908 -0.972 783 HA ALA 103 HA ALA 103 -0.105 -0.779 -2.177 784 1HB ALA 103 1HB ALA 103 -1.371 0.936 -3.342 785 2HB ALA 103 2HB ALA 103 0.017 2.027 -3.306 786 3HB ALA 103 3HB ALA 103 0.060 0.556 -4.297 787 H ASN 104 H ASN 104 2.090 2.091 -1.879 788 HA ASN 104 HA ASN 104 4.419 0.282 -2.238 789 1HB ASN 104 2HB ASN 104 4.042 2.689 -4.090 790 2HB ASN 104 3HB ASN 104 5.444 1.634 -3.985 791 1HD2 ASN 104 1HD2 ASN 104 2.110 1.935 -5.246 792 2HD2 ASN 104 2HD2 ASN 104 2.161 0.388 -6.042 793 H ALA 105 H ALA 105 6.453 1.386 -1.867 794 HA ALA 105 HA ALA 105 6.375 3.984 -0.658 795 1HB ALA 105 1HB ALA 105 6.896 1.672 1.229 796 2HB ALA 105 2HB ALA 105 7.084 3.399 1.603 797 3HB ALA 105 3HB ALA 105 5.477 2.743 1.254 798 HA PRO 106 HA PRO 106 10.546 2.434 -2.103 799 1HB PRO 106 2HB PRO 106 11.048 4.154 -4.178 800 2HB PRO 106 3HB PRO 106 10.127 2.630 -4.342 801 1HG PRO 106 2HG PRO 106 9.061 5.423 -4.035 802 2HG PRO 106 3HG PRO 106 8.514 4.172 -5.179 803 1HD PRO 106 2HD PRO 106 7.185 4.637 -2.816 804 2HD PRO 106 3HD PRO 106 7.340 3.001 -3.511 805 H VAL 107 H VAL 107 12.339 3.176 -1.160 806 HA VAL 107 HA VAL 107 12.431 5.874 0.067 807 HB VAL 107 HB VAL 107 14.323 4.979 1.330 808 1HG1 VAL 107 1HG1 VAL 107 11.801 3.277 1.509 809 2HG1 VAL 107 2HG1 VAL 107 13.050 3.444 2.761 810 3HG1 VAL 107 3HG1 VAL 107 12.087 4.842 2.288 811 1HG2 VAL 107 1HG2 VAL 107 14.849 2.592 1.362 812 2HG2 VAL 107 2HG2 VAL 107 13.713 2.274 0.046 813 3HG2 VAL 107 3HG2 VAL 107 15.167 3.255 -0.244 814 H ASN 108 H ASN 108 14.200 7.274 -0.257 815 HA ASN 108 HA ASN 108 15.958 6.694 -2.600 816 1HB ASN 108 2HB ASN 108 14.798 9.303 -1.546 817 2HB ASN 108 3HB ASN 108 16.075 9.199 -2.760 818 1HD2 ASN 108 1HD2 ASN 108 15.577 8.288 -4.898 819 2HD2 ASN 108 2HD2 ASN 108 13.903 8.205 -5.417 820 H PHE 109 H PHE 109 18.088 7.423 -2.381 821 HA PHE 109 HA PHE 109 19.061 7.879 0.417 822 1HB PHE 109 2HB PHE 109 19.305 5.585 -1.073 823 2HB PHE 109 3HB PHE 109 20.738 6.456 -1.575 824 HD1 PHE 109 1HD PHE 109 22.551 6.898 0.106 825 HD2 PHE 109 2HD PHE 109 18.858 5.009 1.275 826 HE1 PHE 109 1HE PHE 109 23.429 6.585 2.390 827 HE2 PHE 109 2HE PHE 109 19.735 4.700 3.545 828 HZ PHE 109 HZ PHE 109 22.007 5.540 4.135 829 H ALA 110 H ALA 110 18.423 9.627 -1.805 830 HA ALA 110 HA ALA 110 21.042 11.028 -2.302 831 1HB ALA 110 1HB ALA 110 20.207 11.603 -4.540 832 2HB ALA 110 2HB ALA 110 20.278 9.841 -4.331 833 3HB ALA 110 3HB ALA 110 18.715 10.687 -4.243 834 H LEU 111 H LEU 111 17.504 11.347 -1.977 835 HA LEU 111 HA LEU 111 17.770 14.216 -1.258 836 1HB LEU 111 2HB LEU 111 15.162 12.759 -1.483 837 2HB LEU 111 3HB LEU 111 15.532 14.443 -1.849 838 HG LEU 111 HG LEU 111 16.165 11.964 -3.521 839 1HD1 LEU 111 1HD1 LEU 111 13.805 12.565 -3.517 840 2HD1 LEU 111 2HD1 LEU 111 14.197 14.234 -3.974 841 3HD1 LEU 111 3HD1 LEU 111 14.531 12.900 -5.100 842 1HD2 LEU 111 1HD2 LEU 111 17.236 13.282 -5.135 843 2HD2 LEU 111 2HD2 LEU 111 16.465 14.786 -4.595 844 3HD2 LEU 111 3HD2 LEU 111 17.806 14.101 -3.675 845 H GLU 112 H GLU 112 17.940 11.232 0.190 846 HA GLU 112 HA GLU 112 17.274 10.182 2.044 847 1HB GLU 112 2HB GLU 112 17.540 13.022 3.139 848 2HB GLU 112 3HB GLU 112 17.515 11.552 4.102 849 1HG GLU 112 2HG GLU 112 19.747 11.541 3.863 850 2HG GLU 112 3HG GLU 112 19.491 10.919 2.236 851 H THR 113 H THR 113 15.103 10.699 0.402 852 HA THR 113 HA THR 113 12.904 11.209 2.349 853 HB THR 113 HB THR 113 11.521 11.887 0.459 854 HG1 THR 113 1HG THR 113 12.140 11.829 -1.505 855 1HG2 THR 113 1HG2 THR 113 13.242 13.885 -0.297 856 2HG2 THR 113 2HG2 THR 113 12.290 13.879 1.203 857 3HG2 THR 113 3HG2 THR 113 13.973 13.369 1.228 858 H VAL 114 H VAL 114 10.940 10.090 1.887 859 HA VAL 114 HA VAL 114 11.180 7.556 0.400 860 HB VAL 114 HB VAL 114 11.311 6.875 2.705 861 1HG1 VAL 114 1HG1 VAL 114 9.678 7.393 4.416 862 2HG1 VAL 114 2HG1 VAL 114 10.353 8.910 3.812 863 3HG1 VAL 114 3HG1 VAL 114 8.738 8.390 3.294 864 1HG2 VAL 114 1HG2 VAL 114 8.447 6.389 1.885 865 2HG2 VAL 114 2HG2 VAL 114 9.844 5.570 1.142 866 3HG2 VAL 114 3HG2 VAL 114 9.505 5.364 2.864 867 H THR 115 H THR 115 9.571 7.264 -1.000 868 HA THR 115 HA THR 115 7.344 9.238 -1.067 869 HB THR 115 HB THR 115 8.025 6.892 -2.851 870 HG1 THR 115 1HG THR 115 9.420 8.852 -2.841 871 1HG2 THR 115 1HG2 THR 115 6.396 7.907 -4.427 872 2HG2 THR 115 2HG2 THR 115 5.606 7.415 -2.919 873 3HG2 THR 115 3HG2 THR 115 5.982 9.128 -3.205 874 H VAL 116 H VAL 116 5.377 8.581 -0.177 875 HA VAL 116 HA VAL 116 5.017 5.723 0.612 876 HB VAL 116 HB VAL 116 5.129 7.374 2.534 877 1HG1 VAL 116 1HG1 VAL 116 4.066 9.335 1.571 878 2HG1 VAL 116 2HG1 VAL 116 2.537 8.459 1.340 879 3HG1 VAL 116 3HG1 VAL 116 3.123 8.748 2.950 880 1HG2 VAL 116 1HG2 VAL 116 3.089 6.474 3.633 881 2HG2 VAL 116 2HG2 VAL 116 2.563 5.821 2.068 882 3HG2 VAL 116 3HG2 VAL 116 4.060 5.239 2.817 883 H GLU 117 H GLU 117 3.337 4.766 -0.567 884 HA GLU 117 HA GLU 117 1.533 6.579 -2.086 885 1HB GLU 117 2HB GLU 117 3.428 5.397 -3.355 886 2HB GLU 117 3HB GLU 117 2.560 3.889 -3.062 887 1HG GLU 117 2HG GLU 117 1.123 6.206 -4.359 888 2HG GLU 117 3HG GLU 117 2.292 5.264 -5.303 889 H TYR 118 H TYR 118 -0.193 6.425 -0.617 890 HA TYR 118 HA TYR 118 -1.221 3.728 0.036 891 1HB TYR 118 2HB TYR 118 -0.961 3.928 2.362 892 2HB TYR 118 3HB TYR 118 0.588 4.484 1.731 893 HD1 TYR 118 HD1 TYR 118 0.725 7.146 1.384 894 HD2 TYR 118 HD2 TYR 118 -2.143 5.180 3.922 895 HE1 TYR 118 HE1 TYR 118 0.458 9.235 2.703 896 HE2 TYR 118 HE2 TYR 118 -2.467 7.277 5.171 897 HH TYR 118 HH TYR 118 -2.127 9.584 5.069 898 H ASN 119 H ASN 119 -3.183 3.823 1.414 899 HA ASN 119 HA ASN 119 -5.070 5.689 0.208 900 1HB ASN 119 2HB ASN 119 -5.641 3.376 0.410 901 2HB ASN 119 3HB ASN 119 -5.407 3.412 2.163 902 1HD2 ASN 119 1HD2 ASN 119 -7.766 2.488 1.698 903 2HD2 ASN 119 2HD2 ASN 119 -9.050 3.674 1.675 904 HA PRO 120 HA PRO 120 -4.289 8.322 3.856 905 1HB PRO 120 2HB PRO 120 -5.255 10.676 2.965 906 2HB PRO 120 3HB PRO 120 -3.809 9.943 2.213 907 1HG PRO 120 2HG PRO 120 -6.685 9.684 1.257 908 2HG PRO 120 3HG PRO 120 -5.277 10.258 0.316 909 1HD PRO 120 2HD PRO 120 -6.076 7.673 0.221 910 2HD PRO 120 3HD PRO 120 -4.343 8.113 0.217 911 H LYS 121 H LYS 121 -7.180 6.878 2.903 912 HA LYS 121 HA LYS 121 -8.827 8.352 4.909 913 1HB LYS 121 2HB LYS 121 -10.558 7.941 3.645 914 2HB LYS 121 3HB LYS 121 -9.438 7.490 2.382 915 1HG LYS 121 2HG LYS 121 -10.959 5.809 2.399 916 2HG LYS 121 3HG LYS 121 -9.619 5.070 3.254 917 1HD LYS 121 2HD LYS 121 -10.730 5.446 5.423 918 2HD LYS 121 3HD LYS 121 -11.973 6.415 4.672 919 1HE LYS 121 2HE LYS 121 -11.631 3.569 3.687 920 2HE LYS 121 3HE LYS 121 -12.152 3.754 5.363 921 1HZ LYS 121 1HZ LYS 121 -14.016 3.592 3.914 922 2HZ LYS 121 2HZ LYS 121 -14.006 5.091 4.593 923 3HZ LYS 121 3HZ LYS 121 -13.545 4.859 3.023 924 H GLU 122 H GLU 122 -7.339 5.242 4.071 925 HA GLU 122 HA GLU 122 -8.445 3.807 6.306 926 1HB GLU 122 2HB GLU 122 -6.795 3.226 3.999 927 2HB GLU 122 3HB GLU 122 -5.906 2.701 5.425 928 1HG GLU 122 2HG GLU 122 -8.620 1.722 4.473 929 2HG GLU 122 3HG GLU 122 -7.101 0.858 4.644 930 H ALA 123 H ALA 123 -5.321 5.412 5.600 931 HA ALA 123 HA ALA 123 -4.679 5.410 8.536 932 1HB ALA 123 1HB ALA 123 -2.738 4.828 6.263 933 2HB ALA 123 2HB ALA 123 -2.340 4.941 7.992 934 3HB ALA 123 3HB ALA 123 -3.380 3.633 7.411 935 H SER 124 H SER 124 -2.629 7.021 8.733 936 HA SER 124 HA SER 124 -2.849 9.338 6.980 937 1HB SER 124 2HB SER 124 -3.545 10.895 8.764 938 2HB SER 124 3HB SER 124 -4.804 9.694 8.441 939 HG SER 124 HG SER 124 -4.020 8.518 10.255 940 H VAL 125 H VAL 125 -1.256 11.103 7.752 941 HA VAL 125 HA VAL 125 1.241 10.074 8.102 942 HB VAL 125 HB VAL 125 1.841 12.317 8.660 943 1HG1 VAL 125 1HG1 VAL 125 1.489 11.560 6.314 944 2HG1 VAL 125 2HG1 VAL 125 -0.148 12.241 6.351 945 3HG1 VAL 125 3HG1 VAL 125 1.264 13.306 6.508 946 1HG2 VAL 125 1HG2 VAL 125 -1.122 12.990 8.637 947 2HG2 VAL 125 2HG2 VAL 125 -0.010 13.118 10.018 948 3HG2 VAL 125 3HG2 VAL 125 0.201 14.172 8.613 949 H SER 126 H SER 126 -1.012 11.079 10.735 950 HA SER 126 HA SER 126 0.773 10.942 12.880 951 1HB SER 126 2HB SER 126 -2.119 9.957 12.785 952 2HB SER 126 3HB SER 126 -1.237 10.555 14.206 953 HG SER 126 HG SER 126 -2.565 12.181 13.213 954 H ASP 127 H ASP 127 -0.785 8.289 11.065 955 HA ASP 127 HA ASP 127 -0.110 6.222 13.036 956 1HB ASP 127 2HB ASP 127 -1.949 5.769 11.494 957 2HB ASP 127 3HB ASP 127 -0.897 6.045 10.087 958 H LEU 128 H LEU 128 1.151 7.454 10.002 959 HA LEU 128 HA LEU 128 3.315 5.667 9.626 960 1HB LEU 128 2HB LEU 128 2.966 8.517 8.732 961 2HB LEU 128 3HB LEU 128 4.207 7.423 8.122 962 HG LEU 128 HG LEU 128 1.246 6.646 7.998 963 1HD1 LEU 128 1HD1 LEU 128 2.697 8.674 6.497 964 2HD1 LEU 128 2HD1 LEU 128 1.836 7.503 5.467 965 3HD1 LEU 128 3HD1 LEU 128 0.945 8.423 6.685 966 1HD2 LEU 128 1HD2 LEU 128 2.032 5.243 6.128 967 2HD2 LEU 128 2HD2 LEU 128 3.659 5.936 6.275 968 3HD2 LEU 128 3HD2 LEU 128 3.017 4.880 7.553 969 H LYS 129 H LYS 129 3.108 8.839 11.242 970 HA LYS 129 HA LYS 129 5.791 9.033 12.184 971 1HB LYS 129 2HB LYS 129 3.215 10.029 13.486 972 2HB LYS 129 3HB LYS 129 4.845 10.443 13.974 973 1HG LYS 129 2HG LYS 129 4.868 11.067 11.242 974 2HG LYS 129 3HG LYS 129 3.216 11.453 11.744 975 1HD LYS 129 2HD LYS 129 4.300 12.684 13.755 976 2HD LYS 129 3HD LYS 129 5.808 12.584 12.816 977 1HE LYS 129 2HE LYS 129 4.617 13.741 10.903 978 2HE LYS 129 3HE LYS 129 3.159 13.840 11.907 979 1HZ LYS 129 1HZ LYS 129 4.429 15.171 13.476 980 2HZ LYS 129 2HZ LYS 129 5.729 15.152 12.464 981 3HZ LYS 129 3HZ LYS 129 4.328 15.879 11.997 982 H GLU 130 H GLU 130 2.840 7.656 13.818 983 HA GLU 130 HA GLU 130 4.269 6.814 16.118 984 1HB GLU 130 2HB GLU 130 1.591 6.168 14.935 985 2HB GLU 130 3HB GLU 130 2.269 4.958 16.015 986 1HG GLU 130 2HG GLU 130 2.716 6.815 17.708 987 2HG GLU 130 3HG GLU 130 1.727 7.870 16.680 988 H ALA 131 H ALA 131 3.763 5.127 13.047 989 HA ALA 131 HA ALA 131 4.923 2.643 13.786 990 1HB ALA 131 1HB ALA 131 3.593 2.991 11.737 991 2HB ALA 131 2HB ALA 131 4.882 4.003 11.057 992 3HB ALA 131 3HB ALA 131 5.184 2.284 11.379 993 H VAL 132 H VAL 132 6.452 5.542 12.168 994 HA VAL 132 HA VAL 132 9.008 4.253 12.142 995 HB VAL 132 HB VAL 132 8.133 7.103 11.610 996 1HG1 VAL 132 1HG1 VAL 132 10.395 7.279 12.449 997 2HG1 VAL 132 2HG1 VAL 132 10.913 5.859 11.520 998 3HG1 VAL 132 3HG1 VAL 132 10.492 7.375 10.692 999 1HG2 VAL 132 1HG2 VAL 132 9.104 4.744 9.912 1000 2HG2 VAL 132 2HG2 VAL 132 7.466 5.425 9.933 1001 3HG2 VAL 132 3HG2 VAL 132 8.816 6.362 9.275 1002 H ASP 133 H ASP 133 7.377 6.361 14.485 1003 HA ASP 133 HA ASP 133 9.513 6.841 16.178 1004 1HB ASP 133 2HB ASP 133 6.554 6.678 16.436 1005 2HB ASP 133 3HB ASP 133 7.411 6.283 17.914 1006 H LYS 134 H LYS 134 7.439 3.955 15.834 1007 HA LYS 134 HA LYS 134 8.718 2.404 17.873 1008 1HB LYS 134 2HB LYS 134 6.504 2.049 16.120 1009 2HB LYS 134 3HB LYS 134 7.657 0.813 15.647 1010 1HG LYS 134 2HG LYS 134 6.581 -0.346 17.264 1011 2HG LYS 134 3HG LYS 134 7.785 0.396 18.310 1012 1HD LYS 134 2HD LYS 134 4.918 1.321 17.767 1013 2HD LYS 134 3HD LYS 134 5.497 0.544 19.250 1014 1HE LYS 134 2HE LYS 134 6.867 2.500 19.810 1015 2HE LYS 134 3HE LYS 134 6.482 3.273 18.262 1016 1HZ LYS 134 1HZ LYS 134 4.483 2.711 20.324 1017 2HZ LYS 134 2HZ LYS 134 5.181 4.168 20.014 1018 3HZ LYS 134 3HZ LYS 134 4.230 3.468 18.881 1019 H LEU 135 H LEU 135 9.415 2.828 14.395 1020 HA LEU 135 HA LEU 135 11.547 0.868 14.337 1021 1HB LEU 135 2HB LEU 135 10.904 3.264 12.588 1022 2HB LEU 135 3HB LEU 135 12.415 2.412 12.416 1023 HG LEU 135 HG LEU 135 10.613 1.724 10.824 1024 1HD1 LEU 135 1HD1 LEU 135 11.178 -0.795 11.205 1025 2HD1 LEU 135 2HD1 LEU 135 12.488 0.353 10.897 1026 3HD1 LEU 135 3HD1 LEU 135 12.176 -0.226 12.539 1027 1HD2 LEU 135 1HD2 LEU 135 8.768 1.702 12.438 1028 2HD2 LEU 135 2HD2 LEU 135 8.881 0.211 11.537 1029 3HD2 LEU 135 3HD2 LEU 135 9.444 0.247 13.214 1030 H GLY 136 H GLY 136 11.380 4.195 15.462 1031 1HA GLY 136 2HA GLY 136 12.829 5.147 17.017 1032 2HA GLY 136 3HA GLY 136 14.027 3.875 16.743 1033 H TYR 137 H TYR 137 12.364 5.889 14.324 1034 HA TYR 137 HA TYR 137 14.757 7.602 13.958 1035 1HB TYR 137 2HB TYR 137 13.135 6.694 11.575 1036 2HB TYR 137 3HB TYR 137 14.690 7.510 11.589 1037 HD1 TYR 137 HD1 TYR 137 16.549 5.972 13.066 1038 HD2 TYR 137 HD2 TYR 137 13.193 4.525 10.781 1039 HE1 TYR 137 HE1 TYR 137 17.496 3.679 13.105 1040 HE2 TYR 137 HE2 TYR 137 14.212 2.282 10.701 1041 HH TYR 137 HH TYR 137 15.633 0.901 11.862 1042 H LYS 138 H LYS 138 13.408 9.264 11.966 1043 HA LYS 138 HA LYS 138 10.664 9.594 12.926 1044 1HB LYS 138 2HB LYS 138 10.822 11.880 13.517 1045 2HB LYS 138 3HB LYS 138 12.073 11.036 14.431 1046 1HG LYS 138 2HG LYS 138 13.504 12.638 13.630 1047 2HG LYS 138 3HG LYS 138 13.493 11.685 12.186 1048 1HD LYS 138 2HD LYS 138 12.944 13.664 11.222 1049 2HD LYS 138 3HD LYS 138 11.313 13.181 11.606 1050 1HE LYS 138 2HE LYS 138 13.129 14.945 13.332 1051 2HE LYS 138 3HE LYS 138 11.843 15.537 12.288 1052 1HZ LYS 138 1HZ LYS 138 11.152 15.353 14.579 1053 2HZ LYS 138 2HZ LYS 138 10.271 14.324 13.633 1054 3HZ LYS 138 3HZ LYS 138 11.477 13.737 14.586 1055 H LEU 139 H LEU 139 9.375 10.743 11.450 1056 HA LEU 139 HA LEU 139 10.576 11.177 8.764 1057 1HB LEU 139 2HB LEU 139 7.698 10.712 9.613 1058 2HB LEU 139 3HB LEU 139 8.198 11.172 7.981 1059 HG LEU 139 HG LEU 139 9.036 8.623 9.408 1060 1HD1 LEU 139 1HD1 LEU 139 6.657 8.673 8.825 1061 2HD1 LEU 139 2HD1 LEU 139 7.062 9.194 7.172 1062 3HD1 LEU 139 3HD1 LEU 139 7.510 7.567 7.727 1063 1HD2 LEU 139 1HD2 LEU 139 9.795 7.945 7.095 1064 2HD2 LEU 139 2HD2 LEU 139 9.531 9.617 6.560 1065 3HD2 LEU 139 3HD2 LEU 139 10.767 9.246 7.783 1066 H LYS 140 H LYS 140 10.175 13.020 7.711 1067 HA LYS 140 HA LYS 140 8.734 15.256 9.050 1068 1HB LYS 140 2HB LYS 140 11.303 15.416 7.394 1069 2HB LYS 140 3HB LYS 140 10.256 16.783 7.781 1070 1HG LYS 140 2HG LYS 140 10.593 15.901 10.292 1071 2HG LYS 140 3HG LYS 140 12.016 15.129 9.571 1072 1HD LYS 140 2HD LYS 140 12.659 17.273 10.477 1073 2HD LYS 140 3HD LYS 140 12.798 17.306 8.724 1074 1HE LYS 140 2HE LYS 140 10.116 18.195 9.684 1075 2HE LYS 140 3HE LYS 140 11.417 19.133 10.416 1076 1HZ LYS 140 1HZ LYS 140 10.665 20.097 8.355 1077 2HZ LYS 140 2HZ LYS 140 12.245 19.641 8.248 1078 3HZ LYS 140 3HZ LYS 140 11.086 18.741 7.515 1079 H LEU 141 H LEU 141 7.981 16.816 7.311 1080 HA LEU 141 HA LEU 141 6.963 15.245 5.002 1081 1HB LEU 141 2HB LEU 141 5.704 17.675 6.316 1082 2HB LEU 141 3HB LEU 141 5.067 16.605 5.072 1083 HG LEU 141 HG LEU 141 5.253 14.707 6.870 1084 1HD1 LEU 141 1HD1 LEU 141 6.460 15.803 8.694 1085 2HD1 LEU 141 2HD1 LEU 141 5.379 17.211 8.626 1086 3HD1 LEU 141 3HD1 LEU 141 4.796 15.644 9.208 1087 1HD2 LEU 141 1HD2 LEU 141 3.021 15.353 7.815 1088 2HD2 LEU 141 2HD2 LEU 141 3.209 16.955 7.070 1089 3HD2 LEU 141 3HD2 LEU 141 3.108 15.489 6.067 1090 H LYS 142 H LYS 142 7.356 16.069 2.930 1091 HA LYS 142 HA LYS 142 9.139 18.410 2.730 1092 1HB LYS 142 2HB LYS 142 7.844 16.597 0.652 1093 2HB LYS 142 3HB LYS 142 8.775 18.041 0.275 1094 1HG LYS 142 2HG LYS 142 10.646 16.875 1.812 1095 2HG LYS 142 3HG LYS 142 9.713 15.424 1.429 1096 1HD LYS 142 2HD LYS 142 11.329 15.526 -0.297 1097 2HD LYS 142 3HD LYS 142 9.866 16.170 -1.044 1098 1HE LYS 142 2HE LYS 142 10.787 18.536 -0.422 1099 2HE LYS 142 3HE LYS 142 12.276 17.721 0.059 1100 1HZ LYS 142 1HZ LYS 142 12.473 16.916 -2.202 1101 2HZ LYS 142 2HZ LYS 142 11.073 17.666 -2.632 1102 3HZ LYS 142 3HZ LYS 142 12.377 18.559 -2.173 1103 H GLY 143 H GLY 143 7.691 19.911 3.792 1104 1HA GLY 143 2HA GLY 143 6.560 21.898 3.472 1105 2HA GLY 143 3HA GLY 143 6.100 21.419 1.836 1106 H GLU 144 H GLU 144 4.608 19.367 1.844 1107 HA GLU 144 HA GLU 144 2.375 18.932 2.009 1108 1HB GLU 144 2HB GLU 144 3.530 18.370 4.722 1109 2HB GLU 144 3HB GLU 144 1.796 18.143 4.478 1110 1HG GLU 144 2HG GLU 144 3.769 16.922 2.510 1111 2HG GLU 144 3HG GLU 144 3.290 16.096 3.992 1112 H GLN 145 H GLN 145 2.383 21.282 1.517 1113 HA GLN 145 HA GLN 145 -0.008 22.386 2.390 1114 1HB GLN 145 2HB GLN 145 2.216 23.127 4.166 1115 2HB GLN 145 3HB GLN 145 1.614 24.551 3.318 1116 1HG GLN 145 2HG GLN 145 -0.646 24.170 4.055 1117 2HG GLN 145 3HG GLN 145 -0.230 22.600 4.752 1118 1HE2 GLN 145 1HE2 GLN 145 0.529 22.512 6.861 1119 2HE2 GLN 145 2HE2 GLN 145 0.809 23.954 7.832 1120 H ASP 146 H ASP 146 3.296 23.331 1.391 1121 HA ASP 146 HA ASP 146 2.106 25.196 -0.606 1122 1HB ASP 146 2HB ASP 146 4.774 25.211 0.880 1123 2HB ASP 146 3HB ASP 146 4.341 26.353 -0.398 1124 H SER 147 H SER 147 3.728 22.311 -0.436 1125 HA SER 147 HA SER 147 4.987 22.541 -3.089 1126 1HB SER 147 2HB SER 147 5.898 20.234 -2.251 1127 2HB SER 147 3HB SER 147 6.462 21.681 -1.382 1128 HG SER 147 HG SER 147 5.571 19.898 -0.049 1129 H ILE 148 H ILE 148 2.209 21.464 -1.722 1130 HA ILE 148 HA ILE 148 1.920 18.988 -3.282 1131 HB ILE 148 HB ILE 148 -0.100 20.319 -1.457 1132 1HG1 ILE 148 2HG1 ILE 148 1.984 19.843 -0.226 1133 2HG1 ILE 148 3HG1 ILE 148 0.650 18.823 0.286 1134 1HG2 ILE 148 1HG2 ILE 148 -0.914 17.909 -1.205 1135 2HG2 ILE 148 2HG2 ILE 148 -1.285 18.666 -2.746 1136 3HG2 ILE 148 3HG2 ILE 148 0.055 17.514 -2.639 1137 1HD1 ILE 148 1HD1 ILE 148 2.738 17.545 0.153 1138 2HD1 ILE 148 2HD1 ILE 148 1.569 16.917 -1.005 1139 3HD1 ILE 148 3HD1 ILE 148 2.921 17.939 -1.556 1140 H GLU 149 H GLU 149 2.385 20.583 -5.155 1141 HA GLU 149 HA GLU 149 0.027 20.412 -6.826 1142 1HB GLU 149 2HB GLU 149 1.275 23.125 -6.186 1143 2HB GLU 149 3HB GLU 149 0.614 22.755 -7.780 1144 1HG GLU 149 2HG GLU 149 -1.565 22.120 -6.611 1145 2HG GLU 149 3HG GLU 149 -0.894 22.902 -5.169 1146 H GLY 150 H GLY 150 2.987 22.230 -7.020 1147 1HA GLY 150 2HA GLY 150 4.907 21.911 -8.437 1148 2HA GLY 150 3HA GLY 150 4.126 20.506 -9.184 1149 H ARG 151 H ARG 151 3.968 24.046 -8.827 1150 HA ARG 151 HA ARG 151 1.898 24.318 -10.878 1151 1HB ARG 151 2HB ARG 151 2.387 25.654 -8.524 1152 2HB ARG 151 3HB ARG 151 3.217 26.714 -9.663 1153 1HG ARG 151 2HG ARG 151 0.289 25.843 -9.682 1154 2HG ARG 151 3HG ARG 151 0.930 27.444 -9.272 1155 1HD ARG 151 2HD ARG 151 1.870 27.597 -11.613 1156 2HD ARG 151 3HD ARG 151 1.014 26.079 -11.992 1157 HE ARG 151 HE ARG 151 -0.896 27.827 -10.932 1158 1HH1 ARG 151 2HH2 ARG 151 1.214 27.461 -13.711 1159 2HH1 ARG 151 1HH2 ARG 151 0.183 28.266 -14.859 1160 1HH2 ARG 151 2HH1 ARG 151 -2.368 28.869 -12.413 1161 2HH2 ARG 151 1HH1 ARG 151 -1.946 29.077 -14.084 Start of MODEL 18 1 1H MET 1 H1 MET 1 7.458 -22.169 5.761 2 2H MET 1 H2 MET 1 8.328 -23.593 5.724 3 3H MET 1 H3 MET 1 8.093 -22.694 4.348 4 HA MET 1 HA MET 1 6.576 -24.441 4.207 5 1HB MET 1 2HB MET 1 6.735 -24.466 6.943 6 2HB MET 1 3HB MET 1 5.170 -23.676 6.763 7 1HG MET 1 2HG MET 1 4.322 -25.644 5.555 8 2HG MET 1 3HG MET 1 5.962 -26.317 5.458 9 1HE MET 1 1HE MET 1 4.570 -28.954 7.853 10 2HE MET 1 2HE MET 1 3.829 -28.282 6.380 11 3HE MET 1 3HE MET 1 5.578 -28.634 6.425 12 H LEU 2 H LEU 2 4.643 -23.797 3.004 13 HA LEU 2 HA LEU 2 4.620 -20.988 2.485 14 1HB LEU 2 2HB LEU 2 2.899 -21.503 0.838 15 2HB LEU 2 3HB LEU 2 4.358 -22.465 0.690 16 HG LEU 2 HG LEU 2 2.504 -23.972 2.332 17 1HD1 LEU 2 1HD1 LEU 2 1.322 -23.006 -0.309 18 2HD1 LEU 2 2HD1 LEU 2 0.650 -24.264 0.751 19 3HD1 LEU 2 3HD1 LEU 2 0.718 -22.584 1.306 20 1HD2 LEU 2 1HD2 LEU 2 4.306 -24.912 0.909 21 2HD2 LEU 2 2HD2 LEU 2 2.724 -25.607 0.512 22 3HD2 LEU 2 3HD2 LEU 2 3.435 -24.370 -0.543 23 H SER 3 H SER 3 4.017 -19.846 4.302 24 HA SER 3 HA SER 3 1.174 -19.450 4.731 25 1HB SER 3 2HB SER 3 1.450 -21.530 6.048 26 2HB SER 3 3HB SER 3 2.832 -20.814 6.901 27 HG SER 3 HG SER 3 1.387 -19.229 7.686 28 H GLU 4 H GLU 4 2.880 -17.557 3.837 29 HA GLU 4 HA GLU 4 3.251 -15.810 6.241 30 1HB GLU 4 2HB GLU 4 5.447 -16.603 5.049 31 2HB GLU 4 3HB GLU 4 4.941 -15.510 3.754 32 1HG GLU 4 2HG GLU 4 4.673 -13.739 5.681 33 2HG GLU 4 3HG GLU 4 5.602 -14.881 6.662 34 H GLN 5 H GLN 5 0.800 -15.962 5.197 35 HA GLN 5 HA GLN 5 0.450 -14.195 2.943 36 1HB GLN 5 2HB GLN 5 -1.662 -14.828 5.053 37 2HB GLN 5 3HB GLN 5 -1.901 -14.297 3.383 38 1HG GLN 5 2HG GLN 5 -0.942 -17.005 4.361 39 2HG GLN 5 3HG GLN 5 -2.412 -16.635 3.455 40 1HE2 GLN 5 1HE2 GLN 5 -0.171 -18.557 2.770 41 2HE2 GLN 5 2HE2 GLN 5 0.589 -17.873 1.328 42 H LYS 6 H LYS 6 -0.077 -12.111 2.823 43 HA LYS 6 HA LYS 6 0.112 -10.432 5.315 44 1HB LYS 6 2HB LYS 6 0.893 -8.646 3.914 45 2HB LYS 6 3HB LYS 6 1.831 -10.080 3.462 46 1HG LYS 6 2HG LYS 6 -0.207 -10.386 1.711 47 2HG LYS 6 3HG LYS 6 -0.422 -8.671 1.954 48 1HD LYS 6 2HD LYS 6 2.188 -10.045 1.207 49 2HD LYS 6 3HD LYS 6 0.986 -9.542 0.028 50 1HE LYS 6 2HE LYS 6 1.142 -7.187 1.248 51 2HE LYS 6 3HE LYS 6 2.690 -7.820 1.845 52 1HZ LYS 6 1HZ LYS 6 1.820 -7.486 -0.952 53 2HZ LYS 6 2HZ LYS 6 2.910 -6.533 -0.191 54 3HZ LYS 6 3HZ LYS 6 3.289 -8.112 -0.523 55 H GLU 7 H GLU 7 -1.420 -8.598 5.278 56 HA GLU 7 HA GLU 7 -3.728 -8.831 3.404 57 1HB GLU 7 2HB GLU 7 -3.680 -7.445 6.117 58 2HB GLU 7 3HB GLU 7 -5.065 -7.785 5.078 59 1HG GLU 7 2HG GLU 7 -5.296 -9.504 6.601 60 2HG GLU 7 3HG GLU 7 -4.257 -10.340 5.442 61 H ILE 8 H ILE 8 -4.116 -7.057 2.133 62 HA ILE 8 HA ILE 8 -3.038 -4.421 3.067 63 HB ILE 8 HB ILE 8 -1.478 -4.975 1.401 64 1HG1 ILE 8 2HG1 ILE 8 -3.525 -3.213 -0.006 65 2HG1 ILE 8 3HG1 ILE 8 -2.463 -2.678 1.300 66 1HG2 ILE 8 1HG2 ILE 8 -2.556 -6.830 0.321 67 2HG2 ILE 8 2HG2 ILE 8 -3.785 -5.777 -0.420 68 3HG2 ILE 8 3HG2 ILE 8 -2.091 -5.646 -0.906 69 1HD1 ILE 8 1HD1 ILE 8 -0.489 -3.415 -0.151 70 2HD1 ILE 8 2HD1 ILE 8 -1.659 -3.565 -1.490 71 3HD1 ILE 8 3HD1 ILE 8 -1.407 -2.009 -0.703 72 H ALA 9 H ALA 9 -4.660 -2.937 3.258 73 HA ALA 9 HA ALA 9 -7.255 -3.476 1.937 74 1HB ALA 9 1HB ALA 9 -6.612 -2.116 4.588 75 2HB ALA 9 2HB ALA 9 -8.216 -2.234 3.842 76 3HB ALA 9 3HB ALA 9 -7.384 -3.705 4.384 77 H MET 10 H MET 10 -7.781 -1.903 0.484 78 HA MET 10 HA MET 10 -6.732 0.855 0.793 79 1HB MET 10 2HB MET 10 -6.206 -0.958 -1.606 80 2HB MET 10 3HB MET 10 -6.167 0.806 -1.691 81 1HG MET 10 2HG MET 10 -4.368 0.878 0.007 82 2HG MET 10 3HG MET 10 -4.387 -0.877 0.129 83 1HE MET 10 1HE MET 10 -4.752 0.870 -3.426 84 2HE MET 10 2HE MET 10 -3.922 2.045 -2.376 85 3HE MET 10 3HE MET 10 -3.055 1.260 -3.721 86 H GLN 11 H GLN 11 -7.924 2.370 -0.697 87 HA GLN 11 HA GLN 11 -10.687 1.406 -1.208 88 1HB GLN 11 2HB GLN 11 -9.438 4.124 -0.872 89 2HB GLN 11 3HB GLN 11 -10.953 3.924 -1.783 90 1HG GLN 11 2HG GLN 11 -11.990 2.833 0.172 91 2HG GLN 11 3HG GLN 11 -10.484 3.031 1.086 92 1HE2 GLN 11 1HE2 GLN 11 -12.281 4.154 2.469 93 2HE2 GLN 11 2HE2 GLN 11 -12.468 5.877 2.192 94 H VAL 12 H VAL 12 -11.636 1.468 -3.233 95 HA VAL 12 HA VAL 12 -9.937 1.947 -5.597 96 HB VAL 12 HB VAL 12 -9.843 -0.448 -5.144 97 1HG1 VAL 12 1HG1 VAL 12 -11.917 -1.830 -5.067 98 2HG1 VAL 12 2HG1 VAL 12 -11.821 -0.736 -3.676 99 3HG1 VAL 12 3HG1 VAL 12 -12.887 -0.353 -5.046 100 1HG2 VAL 12 1HG2 VAL 12 -11.936 0.028 -7.291 101 2HG2 VAL 12 2HG2 VAL 12 -10.188 0.295 -7.503 102 3HG2 VAL 12 3HG2 VAL 12 -10.814 -1.336 -7.168 103 H SER 13 H SER 13 -11.214 2.629 -7.395 104 HA SER 13 HA SER 13 -13.986 3.542 -6.696 105 1HB SER 13 2HB SER 13 -12.141 4.657 -8.805 106 2HB SER 13 3HB SER 13 -13.635 5.358 -8.148 107 HG SER 13 HG SER 13 -12.415 5.295 -6.055 108 H GLY 14 H GLY 14 -15.427 3.833 -8.581 109 1HA GLY 14 2HA GLY 14 -16.437 3.151 -10.545 110 2HA GLY 14 3HA GLY 14 -15.061 2.124 -10.947 111 H MET 15 H MET 15 -15.644 1.356 -7.780 112 HA MET 15 HA MET 15 -16.832 -1.080 -8.316 113 1HB MET 15 2HB MET 15 -15.479 0.099 -6.181 114 2HB MET 15 3HB MET 15 -17.112 -0.035 -5.532 115 1HG MET 15 2HG MET 15 -16.905 -2.460 -6.693 116 2HG MET 15 3HG MET 15 -15.191 -2.131 -6.413 117 1HE MET 15 1HE MET 15 -15.367 -0.418 -3.734 118 2HE MET 15 2HE MET 15 -15.188 -1.704 -2.509 119 3HE MET 15 3HE MET 15 -14.221 -1.758 -3.981 120 H THR 16 H THR 16 -18.752 -0.974 -9.357 121 HA THR 16 HA THR 16 -20.867 0.830 -8.566 122 HB THR 16 HB THR 16 -20.945 -1.461 -10.565 123 HG1 THR 16 1HG THR 16 -19.232 0.506 -10.624 124 1HG2 THR 16 1HG2 THR 16 -23.150 -0.450 -10.208 125 2HG2 THR 16 2HG2 THR 16 -22.463 1.179 -10.396 126 3HG2 THR 16 3HG2 THR 16 -22.506 0.062 -11.774 127 H CYS 17 H CYS 17 -19.922 -2.295 -7.505 128 HA CYS 17 HA CYS 17 -20.879 -3.835 -6.125 129 1HB CYS 17 2HB CYS 17 -21.432 -1.909 -4.665 130 2HB CYS 17 3HB CYS 17 -23.026 -1.778 -5.445 131 HG CYS 17 HG CYS 17 -23.183 -2.957 -3.104 132 H ALA 18 H ALA 18 -21.277 -3.874 -8.785 133 HA ALA 18 HA ALA 18 -23.509 -5.744 -9.001 134 1HB ALA 18 1HB ALA 18 -23.307 -3.252 -10.771 135 2HB ALA 18 2HB ALA 18 -24.357 -4.656 -11.077 136 3HB ALA 18 3HB ALA 18 -24.625 -3.641 -9.645 137 H ALA 19 H ALA 19 -21.793 -7.197 -9.144 138 HA ALA 19 HA ALA 19 -20.290 -8.499 -10.149 139 1HB ALA 19 1HB ALA 19 -20.038 -8.519 -12.527 140 2HB ALA 19 2HB ALA 19 -21.737 -8.153 -12.156 141 3HB ALA 19 3HB ALA 19 -20.624 -6.852 -12.662 142 H CYS 20 H CYS 20 -19.572 -5.039 -10.216 143 HA CYS 20 HA CYS 20 -17.037 -5.077 -11.384 144 1HB CYS 20 2HB CYS 20 -18.243 -3.262 -9.231 145 2HB CYS 20 3HB CYS 20 -16.654 -2.982 -9.952 146 HG CYS 20 HG CYS 20 -18.103 -1.345 -11.196 147 H ALA 21 H ALA 21 -17.827 -5.011 -7.922 148 HA ALA 21 HA ALA 21 -15.395 -5.710 -6.786 149 1HB ALA 21 1HB ALA 21 -16.988 -6.893 -5.055 150 2HB ALA 21 2HB ALA 21 -17.243 -5.155 -5.336 151 3HB ALA 21 3HB ALA 21 -18.306 -6.360 -6.091 152 H ALA 22 H ALA 22 -17.981 -7.933 -7.854 153 HA ALA 22 HA ALA 22 -16.663 -10.302 -7.121 154 1HB ALA 22 1HB ALA 22 -19.075 -10.129 -7.706 155 2HB ALA 22 2HB ALA 22 -18.625 -9.963 -9.422 156 3HB ALA 22 3HB ALA 22 -18.251 -11.459 -8.546 157 H ARG 23 H ARG 23 -16.409 -8.405 -10.135 158 HA ARG 23 HA ARG 23 -14.904 -10.392 -11.569 159 1HB ARG 23 2HB ARG 23 -15.644 -7.489 -11.953 160 2HB ARG 23 3HB ARG 23 -14.216 -8.057 -12.800 161 1HG ARG 23 2HG ARG 23 -16.935 -9.407 -12.973 162 2HG ARG 23 3HG ARG 23 -16.269 -8.250 -14.133 163 1HD ARG 23 2HD ARG 23 -14.192 -10.135 -13.800 164 2HD ARG 23 3HD ARG 23 -15.651 -11.129 -13.767 165 HE ARG 23 HE ARG 23 -15.917 -9.305 -15.921 166 1HH1 ARG 23 2HH2 ARG 23 -13.783 -11.950 -15.043 167 2HH1 ARG 23 1HH2 ARG 23 -13.366 -12.384 -16.678 168 1HH2 ARG 23 2HH1 ARG 23 -15.339 -9.782 -18.102 169 2HH2 ARG 23 1HH1 ARG 23 -14.279 -11.100 -18.463 170 H ILE 24 H ILE 24 -14.011 -7.572 -9.474 171 HA ILE 24 HA ILE 24 -11.206 -7.876 -10.039 172 HB ILE 24 HB ILE 24 -12.605 -6.648 -7.644 173 1HG1 ILE 24 2HG1 ILE 24 -11.479 -5.298 -10.167 174 2HG1 ILE 24 3HG1 ILE 24 -13.179 -5.684 -10.001 175 1HG2 ILE 24 1HG2 ILE 24 -9.799 -6.311 -8.705 176 2HG2 ILE 24 2HG2 ILE 24 -10.531 -5.394 -7.362 177 3HG2 ILE 24 3HG2 ILE 24 -10.282 -7.140 -7.202 178 1HD1 ILE 24 1HD1 ILE 24 -13.043 -4.311 -7.762 179 2HD1 ILE 24 2HD1 ILE 24 -11.622 -3.585 -8.585 180 3HD1 ILE 24 3HD1 ILE 24 -13.239 -3.526 -9.324 181 H GLU 25 H GLU 25 -13.348 -9.012 -7.331 182 HA GLU 25 HA GLU 25 -11.387 -10.419 -5.910 183 1HB GLU 25 2HB GLU 25 -14.363 -10.965 -6.251 184 2HB GLU 25 3HB GLU 25 -13.334 -11.764 -5.049 185 1HG GLU 25 2HG GLU 25 -12.824 -9.666 -3.957 186 2HG GLU 25 3HG GLU 25 -13.666 -8.733 -5.200 187 H LYS 26 H LYS 26 -13.562 -11.688 -8.519 188 HA LYS 26 HA LYS 26 -12.438 -14.262 -8.450 189 1HB LYS 26 2HB LYS 26 -14.656 -13.430 -9.569 190 2HB LYS 26 3HB LYS 26 -13.627 -13.205 -10.999 191 1HG LYS 26 2HG LYS 26 -12.821 -15.672 -10.142 192 2HG LYS 26 3HG LYS 26 -14.456 -15.689 -9.494 193 1HD LYS 26 2HD LYS 26 -13.634 -15.281 -12.408 194 2HD LYS 26 3HD LYS 26 -14.267 -16.773 -11.690 195 1HE LYS 26 2HE LYS 26 -16.399 -15.515 -11.104 196 2HE LYS 26 3HE LYS 26 -15.779 -14.137 -12.027 197 1HZ LYS 26 1HZ LYS 26 -17.227 -15.490 -13.354 198 2HZ LYS 26 2HZ LYS 26 -15.705 -15.604 -13.967 199 3HZ LYS 26 3HZ LYS 26 -16.334 -16.838 -13.081 200 H GLY 27 H GLY 27 -11.668 -11.427 -10.491 201 1HA GLY 27 2HA GLY 27 -9.748 -12.605 -12.205 202 2HA GLY 27 3HA GLY 27 -9.860 -10.892 -11.758 203 H LEU 28 H LEU 28 -9.435 -11.092 -8.968 204 HA LEU 28 HA LEU 28 -6.566 -11.434 -8.899 205 1HB LEU 28 2HB LEU 28 -8.689 -10.513 -6.947 206 2HB LEU 28 3HB LEU 28 -7.124 -11.000 -6.319 207 HG LEU 28 HG LEU 28 -7.309 -8.509 -6.763 208 1HD1 LEU 28 1HD1 LEU 28 -5.135 -9.912 -8.375 209 2HD1 LEU 28 2HD1 LEU 28 -5.141 -8.286 -7.699 210 3HD1 LEU 28 3HD1 LEU 28 -5.135 -9.693 -6.613 211 1HD2 LEU 28 1HD2 LEU 28 -8.614 -8.532 -8.830 212 2HD2 LEU 28 2HD2 LEU 28 -7.145 -7.591 -8.871 213 3HD2 LEU 28 3HD2 LEU 28 -7.204 -9.179 -9.694 214 H LYS 29 H LYS 29 -9.306 -13.301 -7.495 215 HA LYS 29 HA LYS 29 -7.643 -15.284 -6.286 216 1HB LYS 29 2HB LYS 29 -10.519 -15.322 -7.213 217 2HB LYS 29 3HB LYS 29 -9.753 -16.705 -6.409 218 1HG LYS 29 2HG LYS 29 -9.234 -15.398 -4.427 219 2HG LYS 29 3HG LYS 29 -9.695 -13.909 -5.233 220 1HD LYS 29 2HD LYS 29 -11.551 -14.211 -3.933 221 2HD LYS 29 3HD LYS 29 -12.063 -14.926 -5.454 222 1HE LYS 29 2HE LYS 29 -12.791 -16.377 -3.703 223 2HE LYS 29 3HE LYS 29 -11.443 -17.219 -4.487 224 1HZ LYS 29 1HZ LYS 29 -10.047 -16.505 -2.630 225 2HZ LYS 29 2HZ LYS 29 -11.261 -15.622 -1.992 226 3HZ LYS 29 3HZ LYS 29 -11.382 -17.244 -2.029 227 H ARG 30 H ARG 30 -8.259 -14.742 -9.644 228 HA ARG 30 HA ARG 30 -7.534 -17.266 -10.680 229 1HB ARG 30 2HB ARG 30 -8.066 -14.799 -11.756 230 2HB ARG 30 3HB ARG 30 -6.320 -14.819 -11.916 231 1HG ARG 30 2HG ARG 30 -7.070 -15.708 -13.942 232 2HG ARG 30 3HG ARG 30 -6.654 -17.164 -13.029 233 1HD ARG 30 2HD ARG 30 -9.050 -17.422 -12.369 234 2HD ARG 30 3HD ARG 30 -9.484 -15.972 -13.254 235 HE ARG 30 HE ARG 30 -9.007 -18.653 -14.266 236 1HH1 ARG 30 2HH2 ARG 30 -8.802 -15.272 -15.190 237 2HH1 ARG 30 1HH2 ARG 30 -9.105 -15.527 -16.884 238 1HH2 ARG 30 2HH1 ARG 30 -9.434 -19.059 -16.507 239 2HH2 ARG 30 1HH1 ARG 30 -9.472 -17.754 -17.643 240 H MET 31 H MET 31 -5.529 -14.850 -9.025 241 HA MET 31 HA MET 31 -2.992 -15.833 -9.995 242 1HB MET 31 2HB MET 31 -3.828 -14.015 -7.706 243 2HB MET 31 3HB MET 31 -2.147 -14.370 -8.046 244 1HG MET 31 2HG MET 31 -3.872 -13.337 -10.301 245 2HG MET 31 3HG MET 31 -3.297 -12.237 -9.059 246 1HE MET 31 1HE MET 31 -0.833 -11.363 -11.917 247 2HE MET 31 2HE MET 31 -2.579 -11.716 -12.013 248 3HE MET 31 3HE MET 31 -1.931 -10.743 -10.658 249 HA PRO 32 HA PRO 32 -2.514 -19.129 -7.024 250 1HB PRO 32 2HB PRO 32 0.206 -19.356 -6.828 251 2HB PRO 32 3HB PRO 32 -0.715 -19.820 -8.283 252 1HG PRO 32 2HG PRO 32 0.757 -17.225 -7.787 253 2HG PRO 32 3HG PRO 32 0.829 -18.267 -9.232 254 1HD PRO 32 2HD PRO 32 -0.783 -16.072 -9.126 255 2HD PRO 32 3HD PRO 32 -1.310 -17.562 -9.963 256 H GLY 33 H GLY 33 -0.512 -16.143 -6.368 257 1HA GLY 33 2HA GLY 33 0.027 -16.812 -3.672 258 2HA GLY 33 3HA GLY 33 0.170 -15.218 -4.425 259 H VAL 34 H VAL 34 -2.730 -15.311 -5.243 260 HA VAL 34 HA VAL 34 -3.804 -13.923 -2.982 261 HB VAL 34 HB VAL 34 -5.017 -14.865 -5.573 262 1HG1 VAL 34 1HG1 VAL 34 -6.828 -14.897 -3.950 263 2HG1 VAL 34 2HG1 VAL 34 -6.300 -13.343 -3.264 264 3HG1 VAL 34 3HG1 VAL 34 -6.962 -13.417 -4.911 265 1HG2 VAL 34 1HG2 VAL 34 -3.384 -12.936 -5.594 266 2HG2 VAL 34 2HG2 VAL 34 -5.025 -12.414 -6.004 267 3HG2 VAL 34 3HG2 VAL 34 -4.385 -12.107 -4.387 268 H THR 35 H THR 35 -4.230 -14.736 -1.137 269 HA THR 35 HA THR 35 -5.002 -17.553 -0.828 270 HB THR 35 HB THR 35 -4.743 -15.299 1.205 271 HG1 THR 35 1HG THR 35 -2.840 -16.262 -0.153 272 1HG2 THR 35 1HG2 THR 35 -4.697 -18.321 1.605 273 2HG2 THR 35 2HG2 THR 35 -4.625 -17.073 2.865 274 3HG2 THR 35 3HG2 THR 35 -6.119 -17.307 1.946 275 H ASP 36 H ASP 36 -6.256 -14.182 -0.221 276 HA ASP 36 HA ASP 36 -8.719 -15.038 -1.381 277 1HB ASP 36 2HB ASP 36 -9.052 -15.659 1.083 278 2HB ASP 36 3HB ASP 36 -8.933 -13.932 1.460 279 H ALA 37 H ALA 37 -10.167 -13.221 -1.704 280 HA ALA 37 HA ALA 37 -8.844 -10.564 -1.778 281 1HB ALA 37 1HB ALA 37 -9.564 -10.190 -4.091 282 2HB ALA 37 2HB ALA 37 -8.413 -11.540 -4.019 283 3HB ALA 37 3HB ALA 37 -10.152 -11.862 -4.207 284 H ASN 38 H ASN 38 -10.246 -9.337 -0.654 285 HA ASN 38 HA ASN 38 -13.171 -9.974 -0.765 286 1HB ASN 38 2HB ASN 38 -11.621 -8.834 1.591 287 2HB ASN 38 3HB ASN 38 -13.316 -9.328 1.561 288 1HD2 ASN 38 1HD2 ASN 38 -13.099 -11.880 0.292 289 2HD2 ASN 38 2HD2 ASN 38 -12.180 -12.931 1.356 290 H VAL 39 H VAL 39 -14.501 -8.038 -0.530 291 HA VAL 39 HA VAL 39 -13.127 -5.433 -0.550 292 HB VAL 39 HB VAL 39 -13.120 -6.110 -2.881 293 1HG1 VAL 39 1HG1 VAL 39 -16.144 -5.977 -2.961 294 2HG1 VAL 39 2HG1 VAL 39 -14.979 -6.586 -4.166 295 3HG1 VAL 39 3HG1 VAL 39 -15.312 -7.507 -2.689 296 1HG2 VAL 39 1HG2 VAL 39 -14.163 -4.139 -3.801 297 2HG2 VAL 39 2HG2 VAL 39 -15.153 -3.943 -2.324 298 3HG2 VAL 39 3HG2 VAL 39 -13.400 -3.705 -2.263 299 H ASN 40 H ASN 40 -13.923 -4.410 0.974 300 HA ASN 40 HA ASN 40 -16.611 -4.959 2.013 301 1HB ASN 40 2HB ASN 40 -14.256 -4.420 3.268 302 2HB ASN 40 3HB ASN 40 -14.881 -2.779 3.176 303 1HD2 ASN 40 1HD2 ASN 40 -16.654 -2.225 4.533 304 2HD2 ASN 40 2HD2 ASN 40 -17.370 -3.395 5.643 305 H LEU 41 H LEU 41 -17.355 -4.369 -0.125 306 HA LEU 41 HA LEU 41 -17.274 -1.879 -1.344 307 1HB LEU 41 2HB LEU 41 -19.309 -2.557 -2.496 308 2HB LEU 41 3HB LEU 41 -18.140 -3.864 -2.368 309 HG LEU 41 HG LEU 41 -19.596 -4.540 -0.269 310 1HD1 LEU 41 1HD1 LEU 41 -21.209 -2.765 -0.135 311 2HD1 LEU 41 2HD1 LEU 41 -21.480 -2.784 -1.878 312 3HD1 LEU 41 3HD1 LEU 41 -22.067 -4.118 -0.863 313 1HD2 LEU 41 1HD2 LEU 41 -20.379 -4.993 -3.169 314 2HD2 LEU 41 2HD2 LEU 41 -19.233 -5.944 -2.206 315 3HD2 LEU 41 3HD2 LEU 41 -20.955 -5.973 -1.800 316 H ALA 42 H ALA 42 -18.983 -2.740 1.520 317 HA ALA 42 HA ALA 42 -20.855 -0.658 1.693 318 1HB ALA 42 1HB ALA 42 -19.248 -2.020 3.912 319 2HB ALA 42 2HB ALA 42 -20.732 -1.072 4.148 320 3HB ALA 42 3HB ALA 42 -20.789 -2.595 3.238 321 H THR 43 H THR 43 -17.335 -0.691 2.334 322 HA THR 43 HA THR 43 -17.392 2.256 2.787 323 HB THR 43 HB THR 43 -15.380 1.870 4.122 324 HG1 THR 43 1HG THR 43 -14.456 0.066 3.319 325 1HG2 THR 43 1HG2 THR 43 -17.466 -0.169 5.029 326 2HG2 THR 43 2HG2 THR 43 -16.438 0.873 6.022 327 3HG2 THR 43 3HG2 THR 43 -17.772 1.571 5.066 328 H GLU 44 H GLU 44 -17.177 0.344 0.286 329 HA GLU 44 HA GLU 44 -15.957 0.052 -1.540 330 1HB GLU 44 2HB GLU 44 -15.430 3.006 -1.119 331 2HB GLU 44 3HB GLU 44 -14.995 2.134 -2.595 332 1HG GLU 44 2HG GLU 44 -17.351 1.428 -2.906 333 2HG GLU 44 3HG GLU 44 -17.812 2.389 -1.490 334 H THR 45 H THR 45 -14.514 -1.077 0.574 335 HA THR 45 HA THR 45 -11.701 -0.142 0.200 336 HB THR 45 HB THR 45 -12.998 -1.634 2.504 337 HG1 THR 45 1HG THR 45 -12.098 1.020 2.566 338 1HG2 THR 45 1HG2 THR 45 -10.882 -1.007 3.674 339 2HG2 THR 45 2HG2 THR 45 -10.625 -2.098 2.298 340 3HG2 THR 45 3HG2 THR 45 -10.256 -0.369 2.137 341 H VAL 46 H VAL 46 -10.598 -1.558 -1.143 342 HA VAL 46 HA VAL 46 -11.473 -4.381 -1.405 343 HB VAL 46 HB VAL 46 -11.034 -3.255 -3.474 344 1HG1 VAL 46 1HG1 VAL 46 -8.764 -2.471 -4.108 345 2HG1 VAL 46 2HG1 VAL 46 -9.493 -1.455 -2.869 346 3HG1 VAL 46 3HG1 VAL 46 -8.232 -2.629 -2.431 347 1HG2 VAL 46 1HG2 VAL 46 -9.419 -4.783 -4.428 348 2HG2 VAL 46 2HG2 VAL 46 -8.742 -5.121 -2.824 349 3HG2 VAL 46 3HG2 VAL 46 -10.401 -5.633 -3.217 350 H ASN 47 H ASN 47 -10.360 -6.016 -0.440 351 HA ASN 47 HA ASN 47 -7.980 -5.315 1.171 352 1HB ASN 47 2HB ASN 47 -10.164 -7.194 2.146 353 2HB ASN 47 3HB ASN 47 -8.797 -6.531 3.027 354 1HD2 ASN 47 1HD2 ASN 47 -11.927 -5.805 1.552 355 2HD2 ASN 47 2HD2 ASN 47 -12.189 -4.288 2.393 356 H VAL 48 H VAL 48 -6.386 -6.536 0.197 357 HA VAL 48 HA VAL 48 -7.200 -9.207 -0.934 358 HB VAL 48 HB VAL 48 -4.809 -7.666 -1.906 359 1HG1 VAL 48 1HG1 VAL 48 -5.195 -10.182 -2.383 360 2HG1 VAL 48 2HG1 VAL 48 -6.638 -9.695 -3.277 361 3HG1 VAL 48 3HG1 VAL 48 -5.043 -9.143 -3.808 362 1HG2 VAL 48 1HG2 VAL 48 -7.704 -7.461 -2.851 363 2HG2 VAL 48 2HG2 VAL 48 -6.634 -6.132 -2.340 364 3HG2 VAL 48 3HG2 VAL 48 -6.320 -6.993 -3.850 365 H ILE 49 H ILE 49 -6.280 -10.974 -0.102 366 HA ILE 49 HA ILE 49 -4.032 -10.621 1.768 367 HB ILE 49 HB ILE 49 -6.285 -12.671 1.820 368 1HG1 ILE 49 2HG1 ILE 49 -5.659 -10.260 3.576 369 2HG1 ILE 49 3HG1 ILE 49 -7.061 -10.480 2.527 370 1HG2 ILE 49 1HG2 ILE 49 -4.045 -12.315 3.859 371 2HG2 ILE 49 2HG2 ILE 49 -5.280 -13.581 3.819 372 3HG2 ILE 49 3HG2 ILE 49 -4.014 -13.561 2.606 373 1HD1 ILE 49 1HD1 ILE 49 -7.746 -10.854 4.790 374 2HD1 ILE 49 2HD1 ILE 49 -7.793 -12.409 3.933 375 3HD1 ILE 49 3HD1 ILE 49 -6.463 -12.039 5.065 376 H TYR 50 H TYR 50 -2.160 -11.610 0.982 377 HA TYR 50 HA TYR 50 -2.339 -13.991 -0.641 378 1HB TYR 50 2HB TYR 50 -1.382 -12.982 -2.724 379 2HB TYR 50 3HB TYR 50 -2.924 -12.227 -2.313 380 HD1 TYR 50 HD1 TYR 50 0.638 -11.588 -2.766 381 HD2 TYR 50 HD2 TYR 50 -3.159 -10.034 -1.459 382 HE1 TYR 50 HE1 TYR 50 1.581 -9.298 -2.732 383 HE2 TYR 50 HE2 TYR 50 -2.295 -7.764 -1.637 384 HH TYR 50 HH TYR 50 -0.354 -6.567 -1.435 385 H ASP 51 H ASP 51 -0.135 -14.600 -1.553 386 HA ASP 51 HA ASP 51 1.759 -14.277 0.633 387 1HB ASP 51 2HB ASP 51 1.153 -16.316 -1.262 388 2HB ASP 51 3HB ASP 51 2.779 -15.798 -1.672 389 HA PRO 52 HA PRO 52 3.892 -11.061 -1.739 390 1HB PRO 52 2HB PRO 52 5.853 -10.358 0.067 391 2HB PRO 52 3HB PRO 52 4.147 -9.986 0.336 392 1HG PRO 52 2HG PRO 52 5.727 -12.337 1.414 393 2HG PRO 52 3HG PRO 52 4.664 -11.242 2.335 394 1HD PRO 52 2HD PRO 52 3.878 -13.691 1.391 395 2HD PRO 52 3HD PRO 52 2.730 -12.337 1.542 396 H ALA 53 H ALA 53 4.375 -13.724 -2.551 397 HA ALA 53 HA ALA 53 7.139 -13.621 -3.435 398 1HB ALA 53 1HB ALA 53 6.358 -15.794 -1.438 399 2HB ALA 53 2HB ALA 53 7.904 -15.684 -2.303 400 3HB ALA 53 3HB ALA 53 7.491 -14.463 -1.082 401 H GLU 54 H GLU 54 4.562 -13.802 -4.495 402 HA GLU 54 HA GLU 54 4.942 -15.987 -6.354 403 1HB GLU 54 2HB GLU 54 2.435 -15.801 -4.605 404 2HB GLU 54 3HB GLU 54 2.459 -16.593 -6.181 405 1HG GLU 54 2HG GLU 54 4.558 -17.894 -5.140 406 2HG GLU 54 3HG GLU 54 3.734 -17.502 -3.622 407 H THR 55 H THR 55 2.833 -13.263 -5.169 408 HA THR 55 HA THR 55 2.074 -12.629 -7.942 409 HB THR 55 HB THR 55 0.848 -12.380 -5.172 410 HG1 THR 55 1HG THR 55 0.261 -13.879 -7.501 411 1HG2 THR 55 1HG2 THR 55 0.142 -10.417 -6.547 412 2HG2 THR 55 2HG2 THR 55 -0.249 -11.560 -7.848 413 3HG2 THR 55 3HG2 THR 55 -1.108 -11.652 -6.272 414 H GLY 56 H GLY 56 1.773 -10.464 -5.142 415 1HA GLY 56 2HA GLY 56 3.682 -9.020 -4.483 416 2HA GLY 56 3HA GLY 56 4.041 -8.793 -6.197 417 H THR 57 H THR 57 2.729 -7.305 -3.755 418 HA THR 57 HA THR 57 0.323 -6.201 -4.129 419 HB THR 57 HB THR 57 1.878 -5.496 -2.391 420 HG1 THR 57 1HG THR 57 -0.055 -4.261 -3.005 421 1HG2 THR 57 1HG2 THR 57 3.053 -3.508 -4.332 422 2HG2 THR 57 2HG2 THR 57 3.513 -3.861 -2.663 423 3HG2 THR 57 3HG2 THR 57 3.804 -5.079 -3.930 424 H ALA 58 H ALA 58 3.109 -5.187 -6.120 425 HA ALA 58 HA ALA 58 1.818 -3.146 -7.543 426 1HB ALA 58 1HB ALA 58 3.599 -3.458 -9.225 427 2HB ALA 58 2HB ALA 58 4.246 -3.491 -7.573 428 3HB ALA 58 3HB ALA 58 4.043 -5.010 -8.481 429 H ALA 59 H ALA 59 1.838 -6.692 -8.128 430 HA ALA 59 HA ALA 59 0.522 -6.532 -10.699 431 1HB ALA 59 1HB ALA 59 1.879 -8.448 -9.994 432 2HB ALA 59 2HB ALA 59 0.676 -8.808 -8.723 433 3HB ALA 59 3HB ALA 59 0.207 -8.889 -10.438 434 H ILE 60 H ILE 60 -0.462 -6.606 -7.300 435 HA ILE 60 HA ILE 60 -3.208 -7.363 -7.755 436 HB ILE 60 HB ILE 60 -2.160 -5.677 -5.445 437 1HG1 ILE 60 2HG1 ILE 60 -0.686 -7.644 -5.583 438 2HG1 ILE 60 3HG1 ILE 60 -1.707 -7.598 -4.165 439 1HG2 ILE 60 1HG2 ILE 60 -4.485 -7.576 -5.614 440 2HG2 ILE 60 2HG2 ILE 60 -3.881 -6.789 -4.147 441 3HG2 ILE 60 3HG2 ILE 60 -4.546 -5.808 -5.473 442 1HD1 ILE 60 1HD1 ILE 60 -2.125 -9.344 -6.611 443 2HD1 ILE 60 2HD1 ILE 60 -1.518 -9.828 -5.002 444 3HD1 ILE 60 3HD1 ILE 60 -3.191 -9.322 -5.184 445 H GLN 61 H GLN 61 -1.542 -4.244 -7.121 446 HA GLN 61 HA GLN 61 -3.859 -2.665 -7.657 447 1HB GLN 61 2HB GLN 61 -2.588 -0.771 -7.470 448 2HB GLN 61 3HB GLN 61 -1.731 -1.928 -6.444 449 1HG GLN 61 2HG GLN 61 -0.063 -2.240 -8.204 450 2HG GLN 61 3HG GLN 61 -0.886 -1.082 -9.254 451 1HE2 GLN 61 1HE2 GLN 61 -1.175 1.187 -8.151 452 2HE2 GLN 61 2HE2 GLN 61 0.202 1.701 -7.188 453 H GLU 62 H GLU 62 -1.282 -3.959 -9.802 454 HA GLU 62 HA GLU 62 -2.031 -2.628 -12.171 455 1HB GLU 62 2HB GLU 62 0.014 -4.040 -11.885 456 2HB GLU 62 3HB GLU 62 -1.033 -5.461 -11.770 457 1HG GLU 62 2HG GLU 62 -1.870 -4.914 -14.086 458 2HG GLU 62 3HG GLU 62 -0.517 -3.755 -14.204 459 H LYS 63 H LYS 63 -3.496 -5.595 -10.561 460 HA LYS 63 HA LYS 63 -5.005 -6.168 -12.966 461 1HB LYS 63 2HB LYS 63 -4.614 -7.415 -10.334 462 2HB LYS 63 3HB LYS 63 -6.307 -7.300 -10.789 463 1HG LYS 63 2HG LYS 63 -5.629 -9.366 -11.575 464 2HG LYS 63 3HG LYS 63 -5.798 -8.359 -13.006 465 1HD LYS 63 2HD LYS 63 -3.169 -8.985 -11.575 466 2HD LYS 63 3HD LYS 63 -3.824 -9.916 -12.941 467 1HE LYS 63 2HE LYS 63 -3.724 -7.787 -14.337 468 2HE LYS 63 3HE LYS 63 -2.846 -7.033 -12.993 469 1HZ LYS 63 1HZ LYS 63 -1.360 -7.830 -14.608 470 2HZ LYS 63 2HZ LYS 63 -1.127 -8.636 -13.228 471 3HZ LYS 63 3HZ LYS 63 -1.904 -9.375 -14.493 472 H ILE 64 H ILE 64 -5.692 -4.386 -9.932 473 HA ILE 64 HA ILE 64 -8.415 -3.790 -10.467 474 HB ILE 64 HB ILE 64 -6.262 -2.047 -9.167 475 1HG1 ILE 64 2HG1 ILE 64 -8.338 -3.981 -7.969 476 2HG1 ILE 64 3HG1 ILE 64 -6.622 -4.352 -8.117 477 1HG2 ILE 64 1HG2 ILE 64 -8.110 -0.885 -8.058 478 2HG2 ILE 64 2HG2 ILE 64 -8.259 -0.743 -9.797 479 3HG2 ILE 64 3HG2 ILE 64 -9.280 -1.907 -8.913 480 1HD1 ILE 64 1HD1 ILE 64 -7.034 -3.732 -5.866 481 2HD1 ILE 64 2HD1 ILE 64 -6.086 -2.433 -6.618 482 3HD1 ILE 64 3HD1 ILE 64 -7.833 -2.225 -6.331 483 H GLU 65 H GLU 65 -5.430 -2.057 -11.545 484 HA GLU 65 HA GLU 65 -6.780 -0.090 -13.118 485 1HB GLU 65 2HB GLU 65 -4.092 -1.394 -13.633 486 2HB GLU 65 3HB GLU 65 -4.735 0.060 -14.421 487 1HG GLU 65 2HG GLU 65 -4.841 1.136 -12.121 488 2HG GLU 65 3HG GLU 65 -3.979 -0.261 -11.495 489 H LYS 66 H LYS 66 -5.490 -3.275 -14.126 490 HA LYS 66 HA LYS 66 -6.338 -2.854 -16.855 491 1HB LYS 66 2HB LYS 66 -5.038 -5.114 -15.369 492 2HB LYS 66 3HB LYS 66 -5.784 -5.399 -16.946 493 1HG LYS 66 2HG LYS 66 -3.596 -4.872 -17.473 494 2HG LYS 66 3HG LYS 66 -4.499 -3.433 -17.883 495 1HD LYS 66 2HD LYS 66 -3.686 -2.929 -15.255 496 2HD LYS 66 3HD LYS 66 -2.347 -3.878 -15.898 497 1HE LYS 66 2HE LYS 66 -2.021 -2.234 -17.677 498 2HE LYS 66 3HE LYS 66 -3.457 -1.329 -17.154 499 1HZ LYS 66 1HZ LYS 66 -1.060 -1.716 -15.464 500 2HZ LYS 66 2HZ LYS 66 -1.379 -0.367 -16.337 501 3HZ LYS 66 3HZ LYS 66 -2.320 -0.755 -15.093 502 H LEU 67 H LEU 67 -7.994 -4.157 -14.054 503 HA LEU 67 HA LEU 67 -10.199 -5.302 -15.578 504 1HB LEU 67 2HB LEU 67 -9.555 -4.767 -12.705 505 2HB LEU 67 3HB LEU 67 -11.223 -4.864 -13.166 506 HG LEU 67 HG LEU 67 -9.846 -7.080 -14.454 507 1HD1 LEU 67 1HD1 LEU 67 -9.405 -6.771 -11.479 508 2HD1 LEU 67 2HD1 LEU 67 -9.377 -8.335 -12.335 509 3HD1 LEU 67 3HD1 LEU 67 -8.230 -7.069 -12.789 510 1HD2 LEU 67 1HD2 LEU 67 -11.598 -8.346 -13.311 511 2HD2 LEU 67 2HD2 LEU 67 -11.983 -6.939 -12.294 512 3HD2 LEU 67 3HD2 LEU 67 -12.266 -6.876 -14.051 513 H GLY 68 H GLY 68 -9.120 -2.080 -15.022 514 1HA GLY 68 2HA GLY 68 -10.028 -0.218 -15.987 515 2HA GLY 68 3HA GLY 68 -11.579 -1.029 -16.224 516 H TYR 69 H TYR 69 -9.709 -0.795 -13.149 517 HA TYR 69 HA TYR 69 -11.713 1.142 -12.064 518 1HB TYR 69 2HB TYR 69 -10.471 -1.260 -10.694 519 2HB TYR 69 3HB TYR 69 -11.552 -0.098 -9.934 520 HD1 TYR 69 HD1 TYR 69 -11.341 -3.230 -11.577 521 HD2 TYR 69 HD2 TYR 69 -13.899 0.197 -11.196 522 HE1 TYR 69 HE1 TYR 69 -13.280 -4.564 -12.437 523 HE2 TYR 69 HE2 TYR 69 -15.783 -1.084 -12.163 524 HH TYR 69 HH TYR 69 -16.454 -3.111 -13.055 525 H HIS 70 H HIS 70 -10.793 2.517 -10.395 526 HA HIS 70 HA HIS 70 -7.847 2.898 -10.799 527 1HB HIS 70 2HB HIS 70 -9.827 4.633 -11.458 528 2HB HIS 70 3HB HIS 70 -9.526 5.140 -9.791 529 HD1 HIS 70 1HD HIS 70 -7.343 6.666 -9.521 530 HD2 HIS 70 2HD HIS 70 -7.784 4.731 -13.237 531 HE1 HIS 70 1HE HIS 70 -5.634 7.712 -11.108 532 H VAL 71 H VAL 71 -6.581 3.299 -8.958 533 HA VAL 71 HA VAL 71 -7.736 2.335 -6.404 534 HB VAL 71 HB VAL 71 -5.392 2.151 -5.730 535 1HG1 VAL 71 1HG1 VAL 71 -6.021 0.722 -8.338 536 2HG1 VAL 71 2HG1 VAL 71 -4.828 0.224 -7.125 537 3HG1 VAL 71 3HG1 VAL 71 -6.547 0.242 -6.707 538 1HG2 VAL 71 1HG2 VAL 71 -4.656 2.849 -8.614 539 2HG2 VAL 71 2HG2 VAL 71 -4.360 3.905 -7.220 540 3HG2 VAL 71 3HG2 VAL 71 -3.556 2.337 -7.327 541 H VAL 72 H VAL 72 -7.878 3.624 -4.576 542 HA VAL 72 HA VAL 72 -7.540 6.546 -4.983 543 HB VAL 72 HB VAL 72 -8.683 4.929 -2.702 544 1HG1 VAL 72 1HG1 VAL 72 -7.931 7.192 -1.980 545 2HG1 VAL 72 2HG1 VAL 72 -8.857 7.918 -3.311 546 3HG1 VAL 72 3HG1 VAL 72 -9.694 7.086 -1.983 547 1HG2 VAL 72 1HG2 VAL 72 -10.902 5.680 -3.517 548 2HG2 VAL 72 2HG2 VAL 72 -10.121 6.385 -4.950 549 3HG2 VAL 72 3HG2 VAL 72 -10.092 4.629 -4.684 550 H THR 73 H THR 73 -5.195 6.409 -5.151 551 HA THR 73 HA THR 73 -3.829 6.077 -2.546 552 HB THR 73 HB THR 73 -2.474 4.923 -4.973 553 HG1 THR 73 1HG THR 73 -4.542 4.039 -5.091 554 1HG2 THR 73 1HG2 THR 73 -1.635 3.347 -3.295 555 2HG2 THR 73 2HG2 THR 73 -1.419 5.009 -2.736 556 3HG2 THR 73 3HG2 THR 73 -2.748 4.009 -2.076 557 H GLU 74 H GLU 74 -2.147 7.552 -2.283 558 HA GLU 74 HA GLU 74 -1.442 9.227 -4.632 559 1HB GLU 74 2HB GLU 74 -2.300 10.165 -1.860 560 2HB GLU 74 3HB GLU 74 -1.454 11.197 -3.020 561 1HG GLU 74 2HG GLU 74 -4.140 9.867 -3.582 562 2HG GLU 74 3HG GLU 74 -3.915 11.540 -3.061 563 H LYS 75 H LYS 75 0.491 9.923 -4.726 564 HA LYS 75 HA LYS 75 2.685 8.745 -3.103 565 1HB LYS 75 2HB LYS 75 4.131 9.467 -4.859 566 2HB LYS 75 3HB LYS 75 2.804 8.489 -5.476 567 1HG LYS 75 2HG LYS 75 1.655 10.691 -6.120 568 2HG LYS 75 3HG LYS 75 3.193 11.480 -5.748 569 1HD LYS 75 2HD LYS 75 4.351 10.103 -7.402 570 2HD LYS 75 3HD LYS 75 2.852 9.206 -7.744 571 1HE LYS 75 2HE LYS 75 1.738 11.267 -8.517 572 2HE LYS 75 3HE LYS 75 3.166 12.231 -8.109 573 1HZ LYS 75 1HZ LYS 75 4.388 11.050 -9.785 574 2HZ LYS 75 2HZ LYS 75 3.083 10.107 -10.149 575 3HZ LYS 75 3HZ LYS 75 3.040 11.725 -10.442 576 H ALA 76 H ALA 76 2.344 9.809 -1.158 577 HA ALA 76 HA ALA 76 2.542 12.787 -1.180 578 1HB ALA 76 1HB ALA 76 2.284 12.596 1.254 579 2HB ALA 76 2HB ALA 76 0.944 11.828 0.377 580 3HB ALA 76 3HB ALA 76 2.213 10.826 1.113 581 H GLU 77 H GLU 77 4.395 13.834 -0.517 582 HA GLU 77 HA GLU 77 6.874 12.222 -0.628 583 1HB GLU 77 2HB GLU 77 5.892 14.865 -1.579 584 2HB GLU 77 3HB GLU 77 7.403 15.030 -0.707 585 1HG GLU 77 2HG GLU 77 7.200 12.869 -2.821 586 2HG GLU 77 3HG GLU 77 7.395 14.565 -3.290 587 H PHE 78 H PHE 78 7.646 11.563 1.268 588 HA PHE 78 HA PHE 78 7.417 13.359 3.638 589 1HB PHE 78 2HB PHE 78 7.431 10.371 3.364 590 2HB PHE 78 3HB PHE 78 7.980 11.170 4.833 591 HD1 PHE 78 1HD PHE 78 6.365 10.156 6.261 592 HD2 PHE 78 2HD PHE 78 5.016 12.463 2.871 593 HE1 PHE 78 1HE PHE 78 4.040 9.967 7.044 594 HE2 PHE 78 2HE PHE 78 2.716 12.304 3.686 595 HZ PHE 78 HZ PHE 78 2.198 10.981 5.722 596 H ASP 79 H ASP 79 9.188 13.646 4.880 597 HA ASP 79 HA ASP 79 11.902 13.216 3.687 598 1HB ASP 79 2HB ASP 79 11.317 15.557 3.984 599 2HB ASP 79 3HB ASP 79 10.766 15.267 5.630 600 H ILE 80 H ILE 80 13.577 12.289 5.167 601 HA ILE 80 HA ILE 80 12.427 10.967 7.595 602 HB ILE 80 HB ILE 80 14.683 9.986 5.853 603 1HG1 ILE 80 2HG1 ILE 80 11.754 9.210 5.472 604 2HG1 ILE 80 3HG1 ILE 80 12.691 10.233 4.375 605 1HG2 ILE 80 1HG2 ILE 80 14.188 7.830 6.894 606 2HG2 ILE 80 2HG2 ILE 80 14.383 9.049 8.155 607 3HG2 ILE 80 3HG2 ILE 80 12.760 8.513 7.703 608 1HD1 ILE 80 1HD1 ILE 80 14.446 8.330 4.423 609 2HD1 ILE 80 2HD1 ILE 80 13.006 7.348 4.847 610 3HD1 ILE 80 3HD1 ILE 80 13.053 8.312 3.351 611 H GLU 81 H GLU 81 13.439 11.518 9.504 612 HA GLU 81 HA GLU 81 16.297 12.494 9.360 613 1HB GLU 81 2HB GLU 81 13.941 13.271 10.981 614 2HB GLU 81 3HB GLU 81 15.511 13.039 11.816 615 1HG GLU 81 2HG GLU 81 16.484 14.728 10.295 616 2HG GLU 81 3HG GLU 81 14.841 15.037 9.671 617 H GLY 82 H GLY 82 16.512 10.217 8.892 618 1HA GLY 82 2HA GLY 82 16.649 8.444 11.321 619 2HA GLY 82 3HA GLY 82 15.676 7.942 9.926 620 H MET 83 H MET 83 17.097 8.423 7.761 621 HA MET 83 HA MET 83 19.086 6.574 7.410 622 1HB MET 83 2HB MET 83 17.589 7.999 5.865 623 2HB MET 83 3HB MET 83 18.867 9.191 5.889 624 1HG MET 83 2HG MET 83 19.300 6.277 5.058 625 2HG MET 83 3HG MET 83 18.617 7.512 4.016 626 1HE MET 83 1HE MET 83 21.725 6.107 5.664 627 2HE MET 83 2HE MET 83 23.041 6.993 4.860 628 3HE MET 83 3HE MET 83 22.208 7.736 6.217 629 H THR 84 H THR 84 20.330 6.882 9.460 630 HA THR 84 HA THR 84 22.875 8.111 8.656 631 HB THR 84 HB THR 84 21.581 9.891 9.866 632 HG1 THR 84 1HG THR 84 23.355 10.498 11.075 633 1HG2 THR 84 1HG2 THR 84 22.085 8.269 12.393 634 2HG2 THR 84 2HG2 THR 84 21.280 9.836 12.237 635 3HG2 THR 84 3HG2 THR 84 20.504 8.381 11.595 636 H CYS 85 H CYS 85 21.877 5.362 8.868 637 HA CYS 85 HA CYS 85 24.126 4.313 10.270 638 1HB CYS 85 2HB CYS 85 22.223 4.639 12.128 639 2HB CYS 85 3HB CYS 85 21.530 3.199 11.353 640 HG CYS 85 HG CYS 85 22.737 2.328 13.355 641 H ALA 86 H ALA 86 24.026 1.860 10.044 642 HA ALA 86 HA ALA 86 24.532 0.752 7.949 643 1HB ALA 86 1HB ALA 86 23.978 -0.591 9.892 644 2HB ALA 86 2HB ALA 86 22.242 -0.459 9.547 645 3HB ALA 86 3HB ALA 86 23.309 -1.340 8.430 646 H ALA 87 H ALA 87 20.948 0.799 8.236 647 HA ALA 87 HA ALA 87 20.602 1.514 5.421 648 1HB ALA 87 1HB ALA 87 19.765 -0.591 4.643 649 2HB ALA 87 2HB ALA 87 21.321 -0.931 5.374 650 3HB ALA 87 3HB ALA 87 19.835 -1.311 6.264 651 H CYS 88 H CYS 88 19.718 2.910 7.644 652 HA CYS 88 HA CYS 88 17.341 1.940 8.849 653 1HB CYS 88 2HB CYS 88 18.220 4.826 8.323 654 2HB CYS 88 3HB CYS 88 16.960 4.339 9.456 655 HG CYS 88 HG CYS 88 18.513 2.838 10.932 656 H ALA 89 H ALA 89 17.727 4.274 6.153 657 HA ALA 89 HA ALA 89 14.990 4.566 5.513 658 1HB ALA 89 1HB ALA 89 15.862 5.330 3.306 659 2HB ALA 89 2HB ALA 89 16.647 6.096 4.700 660 3HB ALA 89 3HB ALA 89 17.486 4.813 3.809 661 H ASN 90 H ASN 90 17.358 2.061 4.605 662 HA ASN 90 HA ASN 90 15.748 0.907 2.533 663 1HB ASN 90 2HB ASN 90 18.320 0.553 3.420 664 2HB ASN 90 3HB ASN 90 17.561 -0.914 4.048 665 1HD2 ASN 90 1HD2 ASN 90 19.173 0.397 1.410 666 2HD2 ASN 90 2HD2 ASN 90 18.599 -0.713 0.192 667 H ARG 91 H ARG 91 16.216 0.154 5.998 668 HA ARG 91 HA ARG 91 14.238 -1.924 6.141 669 1HB ARG 91 2HB ARG 91 15.754 -0.206 8.098 670 2HB ARG 91 3HB ARG 91 14.230 -0.837 8.669 671 1HG ARG 91 2HG ARG 91 15.071 -3.148 7.721 672 2HG ARG 91 3HG ARG 91 16.663 -2.376 7.700 673 1HD ARG 91 2HD ARG 91 16.438 -1.988 10.183 674 2HD ARG 91 3HD ARG 91 14.796 -2.609 10.112 675 HE ARG 91 HE ARG 91 15.475 -4.768 9.988 676 1HH1 ARG 91 2HH2 ARG 91 18.300 -2.706 9.592 677 2HH1 ARG 91 1HH2 ARG 91 19.467 -3.974 9.824 678 1HH2 ARG 91 2HH1 ARG 91 16.980 -6.499 10.215 679 2HH2 ARG 91 1HH1 ARG 91 18.683 -6.193 10.149 680 H ILE 92 H ILE 92 14.010 1.575 6.695 681 HA ILE 92 HA ILE 92 11.286 1.732 7.340 682 HB ILE 92 HB ILE 92 13.416 3.500 6.816 683 1HG1 ILE 92 2HG1 ILE 92 10.662 4.150 7.839 684 2HG1 ILE 92 3HG1 ILE 92 12.004 3.449 8.764 685 1HG2 ILE 92 1HG2 ILE 92 11.007 4.621 5.359 686 2HG2 ILE 92 2HG2 ILE 92 12.605 5.330 5.581 687 3HG2 ILE 92 3HG2 ILE 92 12.411 3.977 4.508 688 1HD1 ILE 92 1HD1 ILE 92 12.116 5.795 9.198 689 2HD1 ILE 92 2HD1 ILE 92 13.407 5.485 8.044 690 3HD1 ILE 92 3HD1 ILE 92 11.873 6.214 7.505 691 H GLU 93 H GLU 93 12.854 1.610 4.105 692 HA GLU 93 HA GLU 93 10.542 2.059 2.566 693 1HB GLU 93 2HB GLU 93 12.746 2.292 1.648 694 2HB GLU 93 3HB GLU 93 13.191 0.637 2.010 695 1HG GLU 93 2HG GLU 93 10.740 0.790 0.392 696 2HG GLU 93 3HG GLU 93 12.127 1.587 -0.351 697 H LYS 94 H LYS 94 12.265 -1.014 3.365 698 HA LYS 94 HA LYS 94 10.291 -2.721 2.320 699 1HB LYS 94 2HB LYS 94 12.362 -3.129 4.516 700 2HB LYS 94 3HB LYS 94 11.151 -4.359 4.156 701 1HG LYS 94 2HG LYS 94 12.847 -5.086 2.837 702 2HG LYS 94 3HG LYS 94 11.864 -4.175 1.686 703 1HD LYS 94 2HD LYS 94 13.479 -2.205 2.085 704 2HD LYS 94 3HD LYS 94 14.465 -3.320 3.040 705 1HE LYS 94 2HE LYS 94 15.470 -3.608 0.962 706 2HE LYS 94 3HE LYS 94 14.215 -4.838 0.819 707 1HZ LYS 94 1HZ LYS 94 12.855 -2.864 -0.182 708 2HZ LYS 94 2HZ LYS 94 14.217 -2.087 -0.267 709 3HZ LYS 94 3HZ LYS 94 14.088 -3.486 -1.127 710 H ARG 95 H ARG 95 10.276 -1.026 5.419 711 HA ARG 95 HA ARG 95 7.910 -2.493 6.382 712 1HB ARG 95 2HB ARG 95 9.542 -0.155 7.282 713 2HB ARG 95 3HB ARG 95 7.861 -0.168 7.802 714 1HG ARG 95 2HG ARG 95 9.518 -2.698 8.056 715 2HG ARG 95 3HG ARG 95 9.720 -1.395 9.208 716 1HD ARG 95 2HD ARG 95 7.272 -1.365 9.672 717 2HD ARG 95 3HD ARG 95 7.021 -2.725 8.599 718 HE ARG 95 HE ARG 95 8.077 -2.668 11.318 719 1HH1 ARG 95 2HH2 ARG 95 8.085 -4.529 8.342 720 2HH1 ARG 95 1HH2 ARG 95 8.325 -6.078 9.094 721 1HH2 ARG 95 2HH1 ARG 95 8.439 -4.688 12.383 722 2HH2 ARG 95 1HH1 ARG 95 8.561 -6.154 11.468 723 H LEU 96 H LEU 96 8.242 0.923 5.385 724 HA LEU 96 HA LEU 96 5.566 1.631 5.241 725 1HB LEU 96 2HB LEU 96 8.007 2.600 3.820 726 2HB LEU 96 3HB LEU 96 6.406 3.232 3.409 727 HG LEU 96 HG LEU 96 6.862 3.084 6.341 728 1HD1 LEU 96 1HD1 LEU 96 9.063 3.731 5.793 729 2HD1 LEU 96 2HD1 LEU 96 8.506 4.972 4.639 730 3HD1 LEU 96 3HD1 LEU 96 8.210 5.158 6.386 731 1HD2 LEU 96 1HD2 LEU 96 5.976 5.345 4.491 732 2HD2 LEU 96 2HD2 LEU 96 4.885 4.131 5.198 733 3HD2 LEU 96 3HD2 LEU 96 5.777 5.259 6.252 734 H ASN 97 H ASN 97 7.528 0.138 2.726 735 HA ASN 97 HA ASN 97 6.210 -0.103 0.462 736 1HB ASN 97 2HB ASN 97 8.261 -1.414 1.356 737 2HB ASN 97 3HB ASN 97 7.123 -2.635 1.878 738 1HD2 ASN 97 1HD2 ASN 97 9.326 -1.761 -0.468 739 2HD2 ASN 97 2HD2 ASN 97 8.623 -2.610 -1.827 740 H LYS 98 H LYS 98 5.152 -1.873 3.409 741 HA LYS 98 HA LYS 98 2.438 -1.775 2.461 742 1HB LYS 98 2HB LYS 98 1.936 -4.190 2.705 743 2HB LYS 98 3HB LYS 98 2.805 -3.776 1.243 744 1HG LYS 98 2HG LYS 98 4.446 -4.542 3.654 745 2HG LYS 98 3HG LYS 98 3.506 -5.825 2.908 746 1HD LYS 98 2HD LYS 98 4.743 -5.706 0.859 747 2HD LYS 98 3HD LYS 98 5.184 -4.044 1.147 748 1HE LYS 98 2HE LYS 98 7.171 -5.355 1.417 749 2HE LYS 98 3HE LYS 98 6.696 -4.686 2.984 750 1HZ LYS 98 1HZ LYS 98 7.334 -6.952 3.205 751 2HZ LYS 98 2HZ LYS 98 5.730 -6.833 3.529 752 3HZ LYS 98 3HZ LYS 98 6.246 -7.462 2.092 753 H ILE 99 H ILE 99 3.078 -0.371 4.487 754 HA ILE 99 HA ILE 99 2.993 -1.754 7.021 755 HB ILE 99 HB ILE 99 2.411 1.062 6.134 756 1HG1 ILE 99 2HG1 ILE 99 4.714 0.190 6.568 757 2HG1 ILE 99 3HG1 ILE 99 4.266 1.623 7.509 758 1HG2 ILE 99 1HG2 ILE 99 1.662 -0.019 8.871 759 2HG2 ILE 99 2HG2 ILE 99 2.012 1.693 8.547 760 3HG2 ILE 99 3HG2 ILE 99 0.664 0.908 7.737 761 1HD1 ILE 99 1HD1 ILE 99 3.856 0.084 9.484 762 2HD1 ILE 99 2HD1 ILE 99 4.499 -1.254 8.510 763 3HD1 ILE 99 3HD1 ILE 99 5.522 0.130 8.898 764 H GLU 100 H GLU 100 0.337 -0.130 5.283 765 HA GLU 100 HA GLU 100 -1.405 -2.425 5.757 766 1HB GLU 100 2HB GLU 100 -1.728 0.086 7.308 767 2HB GLU 100 3HB GLU 100 -3.193 -0.359 6.415 768 1HG GLU 100 2HG GLU 100 -3.249 -2.553 7.372 769 2HG GLU 100 3HG GLU 100 -1.702 -2.294 8.203 770 H GLY 101 H GLY 101 -2.545 0.814 4.836 771 1HA GLY 101 2HA GLY 101 -3.189 -0.319 2.188 772 2HA GLY 101 3HA GLY 101 -3.802 1.188 2.898 773 H VAL 102 H VAL 102 -0.539 -0.137 2.246 774 HA VAL 102 HA VAL 102 0.185 2.376 0.777 775 HB VAL 102 HB VAL 102 2.129 0.451 2.039 776 1HG1 VAL 102 1HG1 VAL 102 2.363 3.337 1.066 777 2HG1 VAL 102 2HG1 VAL 102 3.677 2.368 1.707 778 3HG1 VAL 102 3HG1 VAL 102 2.916 1.909 0.187 779 1HG2 VAL 102 1HG2 VAL 102 0.815 1.339 3.883 780 2HG2 VAL 102 2HG2 VAL 102 2.366 2.193 3.842 781 3HG2 VAL 102 3HG2 VAL 102 0.901 2.977 3.221 782 H ALA 103 H ALA 103 0.577 2.196 -1.322 783 HA ALA 103 HA ALA 103 0.553 -0.468 -2.588 784 1HB ALA 103 1HB ALA 103 0.559 2.361 -3.654 785 2HB ALA 103 2HB ALA 103 0.680 0.918 -4.685 786 3HB ALA 103 3HB ALA 103 -0.765 1.183 -3.697 787 H ASN 104 H ASN 104 2.683 2.442 -2.140 788 HA ASN 104 HA ASN 104 5.051 0.715 -2.501 789 1HB ASN 104 2HB ASN 104 4.549 3.052 -4.415 790 2HB ASN 104 3HB ASN 104 6.032 2.117 -4.264 791 1HD2 ASN 104 1HD2 ASN 104 2.739 2.121 -5.551 792 2HD2 ASN 104 2HD2 ASN 104 2.848 0.523 -6.288 793 H ALA 105 H ALA 105 7.047 1.879 -2.107 794 HA ALA 105 HA ALA 105 6.865 4.428 -0.648 795 1HB ALA 105 1HB ALA 105 6.119 2.812 1.054 796 2HB ALA 105 2HB ALA 105 7.655 1.929 0.867 797 3HB ALA 105 3HB ALA 105 7.655 3.599 1.472 798 HA PRO 106 HA PRO 106 11.041 3.274 -2.497 799 1HB PRO 106 2HB PRO 106 11.259 5.150 -4.489 800 2HB PRO 106 3HB PRO 106 10.470 3.560 -4.711 801 1HG PRO 106 2HG PRO 106 9.143 6.201 -4.056 802 2HG PRO 106 3HG PRO 106 8.697 5.057 -5.356 803 1HD PRO 106 2HD PRO 106 7.378 5.019 -2.993 804 2HD PRO 106 3HD PRO 106 7.835 3.491 -3.791 805 H VAL 107 H VAL 107 12.871 4.246 -1.805 806 HA VAL 107 HA VAL 107 12.682 6.842 -0.390 807 HB VAL 107 HB VAL 107 14.829 6.001 0.718 808 1HG1 VAL 107 1HG1 VAL 107 12.805 6.053 1.950 809 2HG1 VAL 107 2HG1 VAL 107 12.205 4.551 1.211 810 3HG1 VAL 107 3HG1 VAL 107 13.605 4.527 2.310 811 1HG2 VAL 107 1HG2 VAL 107 15.268 3.623 0.791 812 2HG2 VAL 107 2HG2 VAL 107 13.930 3.267 -0.304 813 3HG2 VAL 107 3HG2 VAL 107 15.351 4.147 -0.897 814 H ASN 108 H ASN 108 14.139 8.483 -0.889 815 HA ASN 108 HA ASN 108 15.493 8.305 -3.475 816 1HB ASN 108 2HB ASN 108 15.418 10.429 -1.288 817 2HB ASN 108 3HB ASN 108 16.358 10.592 -2.771 818 1HD2 ASN 108 1HD2 ASN 108 15.356 12.032 -4.114 819 2HD2 ASN 108 2HD2 ASN 108 13.632 12.036 -4.428 820 H PHE 109 H PHE 109 16.391 8.050 -0.077 821 HA PHE 109 HA PHE 109 18.264 7.781 1.056 822 1HB PHE 109 2HB PHE 109 19.009 6.452 -1.511 823 2HB PHE 109 3HB PHE 109 20.337 7.102 -0.587 824 HD1 PHE 109 1HD PHE 109 17.664 4.590 -0.621 825 HD2 PHE 109 2HD PHE 109 20.848 6.343 1.692 826 HE1 PHE 109 1HE PHE 109 17.539 2.709 0.961 827 HE2 PHE 109 2HE PHE 109 20.757 4.456 3.268 828 HZ PHE 109 HZ PHE 109 19.133 2.602 2.908 829 H ALA 110 H ALA 110 19.219 9.259 -2.070 830 HA ALA 110 HA ALA 110 21.490 10.550 -1.036 831 1HB ALA 110 1HB ALA 110 21.441 11.827 -3.163 832 2HB ALA 110 2HB ALA 110 21.102 10.106 -3.437 833 3HB ALA 110 3HB ALA 110 19.772 11.290 -3.453 834 H LEU 111 H LEU 111 18.141 11.533 -1.019 835 HA LEU 111 HA LEU 111 18.823 14.234 0.081 836 1HB LEU 111 2HB LEU 111 16.155 13.265 -0.980 837 2HB LEU 111 3HB LEU 111 16.657 14.928 -0.645 838 HG LEU 111 HG LEU 111 17.506 13.082 -2.913 839 1HD1 LEU 111 1HD1 LEU 111 15.281 14.207 -3.069 840 2HD1 LEU 111 2HD1 LEU 111 16.087 15.780 -2.920 841 3HD1 LEU 111 3HD1 LEU 111 16.410 14.748 -4.327 842 1HD2 LEU 111 1HD2 LEU 111 18.520 15.907 -2.275 843 2HD2 LEU 111 2HD2 LEU 111 19.505 14.434 -2.299 844 3HD2 LEU 111 3HD2 LEU 111 18.809 15.045 -3.801 845 H GLU 112 H GLU 112 18.317 11.229 1.277 846 HA GLU 112 HA GLU 112 17.138 10.201 2.907 847 1HB GLU 112 2HB GLU 112 17.567 12.938 4.188 848 2HB GLU 112 3HB GLU 112 17.177 11.437 5.023 849 1HG GLU 112 2HG GLU 112 19.401 11.297 5.243 850 2HG GLU 112 3HG GLU 112 19.327 10.511 3.671 851 H THR 113 H THR 113 15.330 10.637 1.083 852 HA THR 113 HA THR 113 12.887 11.502 2.573 853 HB THR 113 HB THR 113 11.967 12.517 0.676 854 HG1 THR 113 1HG THR 113 12.801 11.315 -1.054 855 1HG2 THR 113 1HG2 THR 113 13.708 13.874 2.007 856 2HG2 THR 113 2HG2 THR 113 14.877 13.331 0.785 857 3HG2 THR 113 3HG2 THR 113 13.613 14.410 0.307 858 H VAL 114 H VAL 114 10.854 10.573 1.795 859 HA VAL 114 HA VAL 114 11.075 8.073 0.296 860 HB VAL 114 HB VAL 114 11.274 7.368 2.633 861 1HG1 VAL 114 1HG1 VAL 114 9.664 7.662 4.310 862 2HG1 VAL 114 2HG1 VAL 114 9.991 9.288 3.685 863 3HG1 VAL 114 3HG1 VAL 114 8.512 8.418 3.207 864 1HG2 VAL 114 1HG2 VAL 114 10.103 5.947 0.979 865 2HG2 VAL 114 2HG2 VAL 114 9.545 5.698 2.636 866 3HG2 VAL 114 3HG2 VAL 114 8.555 6.640 1.503 867 H THR 115 H THR 115 9.561 8.049 -1.224 868 HA THR 115 HA THR 115 7.274 9.971 -1.030 869 HB THR 115 HB THR 115 8.086 8.036 -3.226 870 HG1 THR 115 1HG THR 115 8.812 10.682 -2.612 871 1HG2 THR 115 1HG2 THR 115 6.152 10.396 -3.193 872 2HG2 THR 115 2HG2 THR 115 6.607 9.416 -4.608 873 3HG2 THR 115 3HG2 THR 115 5.713 8.672 -3.266 874 H VAL 116 H VAL 116 5.566 9.183 0.145 875 HA VAL 116 HA VAL 116 5.332 6.227 0.533 876 HB VAL 116 HB VAL 116 5.499 7.498 2.585 877 1HG1 VAL 116 1HG1 VAL 116 3.758 8.937 3.421 878 2HG1 VAL 116 2HG1 VAL 116 4.393 9.634 1.929 879 3HG1 VAL 116 3HG1 VAL 116 2.829 8.788 1.932 880 1HG2 VAL 116 1HG2 VAL 116 4.269 5.377 2.514 881 2HG2 VAL 116 2HG2 VAL 116 3.533 6.484 3.681 882 3HG2 VAL 116 3HG2 VAL 116 2.772 6.235 2.103 883 H GLU 117 H GLU 117 4.010 5.249 -0.915 884 HA GLU 117 HA GLU 117 1.992 6.910 -2.308 885 1HB GLU 117 2HB GLU 117 4.048 5.881 -3.460 886 2HB GLU 117 3HB GLU 117 3.221 4.333 -3.266 887 1HG GLU 117 2HG GLU 117 1.735 6.639 -4.551 888 2HG GLU 117 3HG GLU 117 3.000 5.808 -5.468 889 H TYR 118 H TYR 118 0.235 6.702 -0.981 890 HA TYR 118 HA TYR 118 -0.731 3.984 -0.346 891 1HB TYR 118 2HB TYR 118 -0.610 4.192 1.972 892 2HB TYR 118 3HB TYR 118 0.928 4.878 1.487 893 HD1 TYR 118 HD1 TYR 118 -1.838 5.268 3.599 894 HD2 TYR 118 HD2 TYR 118 0.824 7.578 1.113 895 HE1 TYR 118 HE1 TYR 118 -2.165 7.228 5.059 896 HE2 TYR 118 HE2 TYR 118 0.492 9.537 2.584 897 HH TYR 118 HH TYR 118 -0.520 10.348 4.475 898 H ASN 119 H ASN 119 -2.778 4.050 0.889 899 HA ASN 119 HA ASN 119 -4.624 5.962 -0.357 900 1HB ASN 119 2HB ASN 119 -5.284 3.664 -0.321 901 2HB ASN 119 3HB ASN 119 -4.995 3.549 1.426 902 1HD2 ASN 119 1HD2 ASN 119 -7.253 2.805 1.554 903 2HD2 ASN 119 2HD2 ASN 119 -8.544 3.987 1.547 904 HA PRO 120 HA PRO 120 -4.086 8.301 3.536 905 1HB PRO 120 2HB PRO 120 -4.954 10.731 2.751 906 2HB PRO 120 3HB PRO 120 -3.467 10.025 2.064 907 1HG PRO 120 2HG PRO 120 -6.255 9.926 0.859 908 2HG PRO 120 3HG PRO 120 -4.754 10.506 0.074 909 1HD PRO 120 2HD PRO 120 -5.670 7.944 -0.232 910 2HD PRO 120 3HD PRO 120 -3.928 8.328 -0.158 911 H LYS 121 H LYS 121 -6.733 6.745 2.495 912 HA LYS 121 HA LYS 121 -8.623 8.114 4.365 913 1HB LYS 121 2HB LYS 121 -9.252 5.965 2.328 914 2HB LYS 121 3HB LYS 121 -10.374 6.976 3.236 915 1HG LYS 121 2HG LYS 121 -8.446 7.907 1.048 916 2HG LYS 121 3HG LYS 121 -10.183 7.700 0.908 917 1HD LYS 121 2HD LYS 121 -10.485 9.446 2.712 918 2HD LYS 121 3HD LYS 121 -8.728 9.720 2.656 919 1HE LYS 121 2HE LYS 121 -8.927 10.212 0.185 920 2HE LYS 121 3HE LYS 121 -10.684 10.042 0.319 921 1HZ LYS 121 1HZ LYS 121 -10.671 11.892 1.860 922 2HZ LYS 121 2HZ LYS 121 -9.037 12.048 1.713 923 3HZ LYS 121 3HZ LYS 121 -10.011 12.323 0.416 924 H GLU 122 H GLU 122 -7.342 4.869 3.454 925 HA GLU 122 HA GLU 122 -8.325 3.476 5.743 926 1HB GLU 122 2HB GLU 122 -5.950 3.055 3.878 927 2HB GLU 122 3HB GLU 122 -6.128 2.089 5.339 928 1HG GLU 122 2HG GLU 122 -8.169 2.058 3.083 929 2HG GLU 122 3HG GLU 122 -6.957 0.866 3.476 930 H ALA 123 H ALA 123 -5.151 5.071 5.161 931 HA ALA 123 HA ALA 123 -4.645 5.075 8.119 932 1HB ALA 123 1HB ALA 123 -2.285 4.676 7.610 933 2HB ALA 123 2HB ALA 123 -3.277 3.374 6.942 934 3HB ALA 123 3HB ALA 123 -2.639 4.640 5.870 935 H SER 124 H SER 124 -2.594 6.715 8.374 936 HA SER 124 HA SER 124 -2.722 9.011 6.625 937 1HB SER 124 2HB SER 124 -4.787 9.288 8.111 938 2HB SER 124 3HB SER 124 -3.669 9.450 9.478 939 HG SER 124 HG SER 124 -4.002 11.102 7.206 940 H VAL 125 H VAL 125 -1.418 10.822 7.676 941 HA VAL 125 HA VAL 125 1.233 10.150 8.017 942 HB VAL 125 HB VAL 125 -0.044 12.517 9.455 943 1HG1 VAL 125 1HG1 VAL 125 2.089 13.601 8.975 944 2HG1 VAL 125 2HG1 VAL 125 2.392 12.082 9.815 945 3HG1 VAL 125 3HG1 VAL 125 2.648 12.174 8.068 946 1HG2 VAL 125 1HG2 VAL 125 0.321 13.804 7.325 947 2HG2 VAL 125 2HG2 VAL 125 0.499 12.258 6.474 948 3HG2 VAL 125 3HG2 VAL 125 -1.028 12.680 7.273 949 H SER 126 H SER 126 -1.184 10.691 10.647 950 HA SER 126 HA SER 126 0.476 10.353 12.845 951 1HB SER 126 2HB SER 126 -2.385 9.332 12.612 952 2HB SER 126 3HB SER 126 -1.565 9.941 14.060 953 HG SER 126 HG SER 126 -1.473 11.993 13.032 954 H ASP 127 H ASP 127 -1.086 7.831 10.827 955 HA ASP 127 HA ASP 127 -0.446 5.624 12.587 956 1HB ASP 127 2HB ASP 127 -2.308 5.606 10.915 957 2HB ASP 127 3HB ASP 127 -1.103 5.656 9.606 958 H LEU 128 H LEU 128 0.912 7.092 9.686 959 HA LEU 128 HA LEU 128 3.095 5.285 9.258 960 1HB LEU 128 2HB LEU 128 2.777 8.204 8.506 961 2HB LEU 128 3HB LEU 128 4.063 7.153 7.920 962 HG LEU 128 HG LEU 128 1.078 6.666 7.514 963 1HD1 LEU 128 1HD1 LEU 128 3.241 7.696 5.662 964 2HD1 LEU 128 2HD1 LEU 128 1.595 7.244 5.147 965 3HD1 LEU 128 3HD1 LEU 128 1.829 8.591 6.271 966 1HD2 LEU 128 1HD2 LEU 128 1.987 4.512 7.403 967 2HD2 LEU 128 2HD2 LEU 128 2.091 5.034 5.718 968 3HD2 LEU 128 3HD2 LEU 128 3.529 5.092 6.755 969 H LYS 129 H LYS 129 2.802 8.289 11.151 970 HA LYS 129 HA LYS 129 5.467 8.311 12.182 971 1HB LYS 129 2HB LYS 129 2.889 9.461 13.263 972 2HB LYS 129 3HB LYS 129 4.440 9.626 14.060 973 1HG LYS 129 2HG LYS 129 4.965 10.307 11.332 974 2HG LYS 129 3HG LYS 129 3.378 10.962 11.674 975 1HD LYS 129 2HD LYS 129 4.898 12.671 12.117 976 2HD LYS 129 3HD LYS 129 4.346 12.141 13.701 977 1HE LYS 129 2HE LYS 129 6.977 11.262 12.355 978 2HE LYS 129 3HE LYS 129 6.832 12.678 13.366 979 1HZ LYS 129 1HZ LYS 129 6.049 11.142 15.191 980 2HZ LYS 129 2HZ LYS 129 6.539 9.848 14.341 981 3HZ LYS 129 3HZ LYS 129 7.609 10.946 14.773 982 H GLU 130 H GLU 130 2.411 6.914 13.588 983 HA GLU 130 HA GLU 130 3.634 5.777 15.876 984 1HB GLU 130 2HB GLU 130 1.236 5.017 14.195 985 2HB GLU 130 3HB GLU 130 1.707 4.020 15.563 986 1HG GLU 130 2HG GLU 130 1.463 7.011 15.992 987 2HG GLU 130 3HG GLU 130 -0.004 6.040 15.849 988 H ALA 131 H ALA 131 3.460 4.492 12.561 989 HA ALA 131 HA ALA 131 4.645 1.954 13.149 990 1HB ALA 131 1HB ALA 131 4.585 3.520 10.533 991 2HB ALA 131 2HB ALA 131 4.976 1.803 10.730 992 3HB ALA 131 3HB ALA 131 3.343 2.391 11.108 993 H VAL 132 H VAL 132 6.131 5.022 11.782 994 HA VAL 132 HA VAL 132 8.662 3.724 11.619 995 HB VAL 132 HB VAL 132 7.774 5.599 10.200 996 1HG1 VAL 132 1HG1 VAL 132 7.117 7.007 12.187 997 2HG1 VAL 132 2HG1 VAL 132 8.817 7.409 12.439 998 3HG1 VAL 132 3HG1 VAL 132 7.974 7.894 10.962 999 1HG2 VAL 132 1HG2 VAL 132 10.057 6.446 9.828 1000 2HG2 VAL 132 2HG2 VAL 132 10.524 5.962 11.468 1001 3HG2 VAL 132 3HG2 VAL 132 10.136 4.736 10.245 1002 H ASP 133 H ASP 133 7.082 5.714 14.103 1003 HA ASP 133 HA ASP 133 9.342 6.258 15.648 1004 1HB ASP 133 2HB ASP 133 6.368 6.054 16.181 1005 2HB ASP 133 3HB ASP 133 7.496 6.209 17.508 1006 H LYS 134 H LYS 134 7.351 3.301 15.319 1007 HA LYS 134 HA LYS 134 8.844 1.820 17.348 1008 1HB LYS 134 2HB LYS 134 6.845 1.015 15.223 1009 2HB LYS 134 3HB LYS 134 7.685 -0.167 16.228 1010 1HG LYS 134 2HG LYS 134 6.755 0.625 18.220 1011 2HG LYS 134 3HG LYS 134 6.281 2.185 17.516 1012 1HD LYS 134 2HD LYS 134 4.610 1.152 16.103 1013 2HD LYS 134 3HD LYS 134 5.005 -0.467 16.688 1014 1HE LYS 134 2HE LYS 134 4.010 1.857 18.435 1015 2HE LYS 134 3HE LYS 134 2.947 0.641 17.727 1016 1HZ LYS 134 1HZ LYS 134 5.120 0.053 19.624 1017 2HZ LYS 134 2HZ LYS 134 3.519 0.122 19.986 1018 3HZ LYS 134 3HZ LYS 134 4.079 -1.045 18.972 1019 H LEU 135 H LEU 135 9.460 2.560 13.952 1020 HA LEU 135 HA LEU 135 11.577 0.508 13.734 1021 1HB LEU 135 2HB LEU 135 10.774 2.893 12.032 1022 2HB LEU 135 3HB LEU 135 12.353 2.167 11.879 1023 HG LEU 135 HG LEU 135 10.846 1.365 10.192 1024 1HD1 LEU 135 1HD1 LEU 135 11.559 -0.895 10.262 1025 2HD1 LEU 135 2HD1 LEU 135 12.770 -0.009 11.182 1026 3HD1 LEU 135 3HD1 LEU 135 11.532 -0.962 12.030 1027 1HD2 LEU 135 1HD2 LEU 135 9.297 0.030 12.479 1028 2HD2 LEU 135 2HD2 LEU 135 8.748 1.436 11.542 1029 3HD2 LEU 135 3HD2 LEU 135 8.952 -0.117 10.753 1030 H GLY 136 H GLY 136 11.154 3.684 15.115 1031 1HA GLY 136 2HA GLY 136 12.551 4.646 16.706 1032 2HA GLY 136 3HA GLY 136 13.861 3.533 16.284 1033 H TYR 137 H TYR 137 11.925 5.558 14.044 1034 HA TYR 137 HA TYR 137 14.157 7.482 13.743 1035 1HB TYR 137 2HB TYR 137 12.686 6.379 11.345 1036 2HB TYR 137 3HB TYR 137 14.080 7.437 11.364 1037 HD1 TYR 137 HD1 TYR 137 13.047 4.182 10.699 1038 HD2 TYR 137 HD2 TYR 137 16.191 6.276 12.768 1039 HE1 TYR 137 HE1 TYR 137 14.451 2.152 10.610 1040 HE2 TYR 137 HE2 TYR 137 17.522 4.195 12.836 1041 HH TYR 137 HH TYR 137 16.298 1.114 11.561 1042 H LYS 138 H LYS 138 13.175 9.422 12.291 1043 HA LYS 138 HA LYS 138 10.363 9.879 13.203 1044 1HB LYS 138 2HB LYS 138 11.134 12.305 13.258 1045 2HB LYS 138 3HB LYS 138 11.572 11.249 14.617 1046 1HG LYS 138 2HG LYS 138 13.792 10.911 13.736 1047 2HG LYS 138 3HG LYS 138 13.410 11.766 12.283 1048 1HD LYS 138 2HD LYS 138 13.553 13.831 13.193 1049 2HD LYS 138 3HD LYS 138 12.930 13.327 14.747 1050 1HE LYS 138 2HE LYS 138 15.035 12.463 15.495 1051 2HE LYS 138 3HE LYS 138 15.736 12.492 13.882 1052 1HZ LYS 138 1HZ LYS 138 16.537 14.316 15.193 1053 2HZ LYS 138 2HZ LYS 138 15.701 14.877 13.921 1054 3HZ LYS 138 3HZ LYS 138 15.012 14.913 15.403 1055 H LEU 139 H LEU 139 9.074 10.114 11.481 1056 HA LEU 139 HA LEU 139 10.286 10.827 8.912 1057 1HB LEU 139 2HB LEU 139 7.452 10.084 9.677 1058 2HB LEU 139 3HB LEU 139 7.875 10.677 8.066 1059 HG LEU 139 HG LEU 139 9.248 8.301 9.317 1060 1HD1 LEU 139 1HD1 LEU 139 7.741 6.862 8.067 1061 2HD1 LEU 139 2HD1 LEU 139 6.739 7.960 9.038 1062 3HD1 LEU 139 3HD1 LEU 139 6.970 8.267 7.307 1063 1HD2 LEU 139 1HD2 LEU 139 9.759 7.683 6.989 1064 2HD2 LEU 139 2HD2 LEU 139 9.091 9.239 6.442 1065 3HD2 LEU 139 3HD2 LEU 139 10.530 9.194 7.486 1066 H LYS 140 H LYS 140 9.560 12.611 7.739 1067 HA LYS 140 HA LYS 140 8.122 14.814 9.110 1068 1HB LYS 140 2HB LYS 140 10.868 14.783 7.820 1069 2HB LYS 140 3HB LYS 140 9.912 16.264 7.753 1070 1HG LYS 140 2HG LYS 140 10.600 14.802 10.339 1071 2HG LYS 140 3HG LYS 140 11.598 16.068 9.632 1072 1HD LYS 140 2HD LYS 140 10.324 17.687 10.487 1073 2HD LYS 140 3HD LYS 140 8.893 17.068 9.655 1074 1HE LYS 140 2HE LYS 140 8.550 15.429 11.547 1075 2HE LYS 140 3HE LYS 140 9.919 16.178 12.390 1076 1HZ LYS 140 1HZ LYS 140 8.685 18.255 12.364 1077 2HZ LYS 140 2HZ LYS 140 7.414 17.535 11.604 1078 3HZ LYS 140 3HZ LYS 140 7.828 17.078 13.128 1079 H LEU 141 H LEU 141 7.473 16.388 7.375 1080 HA LEU 141 HA LEU 141 6.736 14.963 4.839 1081 1HB LEU 141 2HB LEU 141 5.152 17.072 6.320 1082 2HB LEU 141 3HB LEU 141 4.729 16.225 4.824 1083 HG LEU 141 HG LEU 141 5.078 14.045 6.294 1084 1HD1 LEU 141 1HD1 LEU 141 3.868 15.678 8.505 1085 2HD1 LEU 141 2HD1 LEU 141 4.815 14.188 8.582 1086 3HD1 LEU 141 3HD1 LEU 141 5.617 15.751 8.367 1087 1HD2 LEU 141 1HD2 LEU 141 3.000 14.698 5.153 1088 2HD2 LEU 141 2HD2 LEU 141 2.667 14.061 6.764 1089 3HD2 LEU 141 3HD2 LEU 141 2.600 15.806 6.484 1090 H LYS 142 H LYS 142 6.800 16.076 2.861 1091 HA LYS 142 HA LYS 142 8.509 18.464 2.759 1092 1HB LYS 142 2HB LYS 142 7.002 16.824 0.711 1093 2HB LYS 142 3HB LYS 142 7.584 18.430 0.306 1094 1HG LYS 142 2HG LYS 142 9.174 16.833 -0.446 1095 2HG LYS 142 3HG LYS 142 9.870 17.890 0.788 1096 1HD LYS 142 2HD LYS 142 9.630 16.126 2.489 1097 2HD LYS 142 3HD LYS 142 8.888 15.042 1.312 1098 1HE LYS 142 2HE LYS 142 11.698 16.199 1.030 1099 2HE LYS 142 3HE LYS 142 11.333 14.637 1.766 1100 1HZ LYS 142 1HZ LYS 142 11.932 14.436 -0.603 1101 2HZ LYS 142 2HZ LYS 142 10.435 13.856 -0.330 1102 3HZ LYS 142 3HZ LYS 142 10.598 15.250 -1.059 1103 H GLY 143 H GLY 143 7.288 19.810 4.221 1104 1HA GLY 143 2HA GLY 143 6.373 21.935 4.211 1105 2HA GLY 143 3HA GLY 143 5.657 21.651 2.622 1106 H GLU 144 H GLU 144 4.145 19.414 3.021 1107 HA GLU 144 HA GLU 144 1.999 18.876 3.496 1108 1HB GLU 144 2HB GLU 144 1.513 18.391 5.860 1109 2HB GLU 144 3HB GLU 144 3.030 17.735 5.263 1110 1HG GLU 144 2HG GLU 144 4.307 19.478 6.450 1111 2HG GLU 144 3HG GLU 144 2.793 20.231 6.988 1112 H GLN 145 H GLN 145 2.483 21.767 3.097 1113 HA GLN 145 HA GLN 145 -0.118 22.841 4.030 1114 1HB GLN 145 2HB GLN 145 2.636 24.043 4.591 1115 2HB GLN 145 3HB GLN 145 1.113 24.928 4.733 1116 1HG GLN 145 2HG GLN 145 0.324 23.368 6.471 1117 2HG GLN 145 3HG GLN 145 1.800 22.412 6.322 1118 1HE2 GLN 145 1HE2 GLN 145 0.637 25.683 7.243 1119 2HE2 GLN 145 2HE2 GLN 145 1.976 25.965 8.346 1120 H ASP 146 H ASP 146 2.936 23.523 2.203 1121 HA ASP 146 HA ASP 146 1.400 24.751 -0.019 1122 1HB ASP 146 2HB ASP 146 3.309 26.224 1.859 1123 2HB ASP 146 3HB ASP 146 2.875 26.808 0.251 1124 H SER 147 H SER 147 3.308 22.411 0.538 1125 HA SER 147 HA SER 147 4.947 22.926 -1.873 1126 1HB SER 147 2HB SER 147 6.104 22.974 0.705 1127 2HB SER 147 3HB SER 147 6.469 21.354 0.089 1128 HG SER 147 HG SER 147 6.915 23.823 -1.262 1129 H ILE 148 H ILE 148 2.484 21.316 -0.886 1130 HA ILE 148 HA ILE 148 3.358 18.592 -1.684 1131 HB ILE 148 HB ILE 148 0.661 19.685 -0.828 1132 1HG1 ILE 148 2HG1 ILE 148 2.316 19.639 1.007 1133 2HG1 ILE 148 3HG1 ILE 148 0.995 18.497 1.238 1134 1HG2 ILE 148 1HG2 ILE 148 0.061 17.236 -0.606 1135 2HG2 ILE 148 2HG2 ILE 148 0.213 17.822 -2.262 1136 3HG2 ILE 148 3HG2 ILE 148 1.517 16.858 -1.555 1137 1HD1 ILE 148 1HD1 ILE 148 3.809 17.763 0.301 1138 2HD1 ILE 148 2HD1 ILE 148 3.127 17.499 1.906 1139 3HD1 ILE 148 3HD1 ILE 148 2.465 16.621 0.526 1140 H GLU 149 H GLU 149 0.844 20.934 -2.866 1141 HA GLU 149 HA GLU 149 1.473 20.515 -5.613 1142 1HB GLU 149 2HB GLU 149 -0.238 18.545 -4.438 1143 2HB GLU 149 3HB GLU 149 -1.320 19.617 -5.310 1144 1HG GLU 149 2HG GLU 149 1.180 18.413 -6.587 1145 2HG GLU 149 3HG GLU 149 -0.361 17.557 -6.510 1146 H GLY 150 H GLY 150 -0.601 21.550 -6.820 1147 1HA GLY 150 2HA GLY 150 -0.635 24.258 -5.882 1148 2HA GLY 150 3HA GLY 150 -1.421 23.619 -7.326 1149 H ARG 151 H ARG 151 -3.704 23.230 -7.274 1150 HA ARG 151 HA ARG 151 -5.111 24.072 -4.799 1151 1HB ARG 151 2HB ARG 151 -4.697 25.867 -6.753 1152 2HB ARG 151 3HB ARG 151 -5.994 24.955 -7.546 1153 1HG ARG 151 2HG ARG 151 -7.365 25.276 -5.416 1154 2HG ARG 151 3HG ARG 151 -6.060 26.332 -4.829 1155 1HD ARG 151 2HD ARG 151 -6.364 27.741 -6.898 1156 2HD ARG 151 3HD ARG 151 -7.767 26.721 -7.317 1157 HE ARG 151 HE ARG 151 -8.071 27.662 -4.651 1158 1HH1 ARG 151 2HH2 ARG 151 -8.139 28.892 -7.940 1159 2HH1 ARG 151 1HH2 ARG 151 -9.193 30.234 -7.615 1160 1HH2 ARG 151 2HH1 ARG 151 -9.466 29.441 -4.144 1161 2HH2 ARG 151 1HH1 ARG 151 -9.968 30.547 -5.380 Start of MODEL 19 1 1H MET 1 H1 MET 1 2.808 -13.647 11.953 2 2H MET 1 H2 MET 1 4.153 -12.949 11.279 3 3H MET 1 H3 MET 1 2.629 -12.478 10.804 4 HA MET 1 HA MET 1 3.618 -13.795 9.146 5 1HB MET 1 2HB MET 1 3.894 -15.846 11.388 6 2HB MET 1 3HB MET 1 3.930 -16.263 9.661 7 1HG MET 1 2HG MET 1 6.198 -15.999 10.401 8 2HG MET 1 3HG MET 1 5.783 -14.690 9.296 9 1HE MET 1 1HE MET 1 8.242 -12.696 11.403 10 2HE MET 1 2HE MET 1 8.374 -14.305 10.659 11 3HE MET 1 3HE MET 1 7.563 -12.983 9.784 12 H LEU 2 H LEU 2 1.845 -16.246 10.972 13 HA LEU 2 HA LEU 2 -0.009 -17.376 10.392 14 1HB LEU 2 2HB LEU 2 -1.159 -14.824 9.162 15 2HB LEU 2 3HB LEU 2 -1.964 -16.350 9.461 16 HG LEU 2 HG LEU 2 -1.094 -15.894 11.986 17 1HD1 LEU 2 1HD1 LEU 2 -1.598 -13.112 10.816 18 2HD1 LEU 2 2HD1 LEU 2 -1.452 -13.499 12.541 19 3HD1 LEU 2 3HD1 LEU 2 -0.055 -13.686 11.478 20 1HD2 LEU 2 1HD2 LEU 2 -3.407 -16.367 11.321 21 2HD2 LEU 2 2HD2 LEU 2 -3.350 -15.009 12.455 22 3HD2 LEU 2 3HD2 LEU 2 -3.595 -14.702 10.721 23 H SER 3 H SER 3 2.096 -17.925 9.141 24 HA SER 3 HA SER 3 3.137 -18.728 7.348 25 1HB SER 3 2HB SER 3 0.544 -18.411 5.784 26 2HB SER 3 3HB SER 3 1.926 -19.425 5.368 27 HG SER 3 HG SER 3 0.220 -20.564 6.467 28 H GLU 4 H GLU 4 3.813 -18.078 4.958 29 HA GLU 4 HA GLU 4 4.438 -15.254 4.944 30 1HB GLU 4 2HB GLU 4 4.890 -17.537 2.990 31 2HB GLU 4 3HB GLU 4 5.581 -15.928 2.806 32 1HG GLU 4 2HG GLU 4 7.213 -16.309 4.338 33 2HG GLU 4 3HG GLU 4 6.106 -17.024 5.511 34 H GLN 5 H GLN 5 1.846 -15.077 5.067 35 HA GLN 5 HA GLN 5 0.977 -14.331 2.304 36 1HB GLN 5 2HB GLN 5 -0.863 -14.400 4.705 37 2HB GLN 5 3HB GLN 5 -1.256 -14.310 2.986 38 1HG GLN 5 2HG GLN 5 -0.439 -16.669 4.663 39 2HG GLN 5 3HG GLN 5 -1.858 -16.503 3.631 40 1HE2 GLN 5 1HE2 GLN 5 -1.225 -16.233 1.100 41 2HE2 GLN 5 2HE2 GLN 5 0.170 -17.176 0.607 42 H LYS 6 H LYS 6 0.018 -12.098 2.306 43 HA LYS 6 HA LYS 6 0.262 -10.648 4.823 44 1HB LYS 6 2HB LYS 6 1.473 -8.760 3.893 45 2HB LYS 6 3HB LYS 6 2.442 -10.221 4.018 46 1HG LYS 6 2HG LYS 6 3.102 -9.407 2.049 47 2HG LYS 6 3HG LYS 6 1.914 -10.583 1.490 48 1HD LYS 6 2HD LYS 6 0.604 -8.978 0.540 49 2HD LYS 6 3HD LYS 6 0.714 -7.905 1.922 50 1HE LYS 6 2HE LYS 6 3.170 -7.412 1.148 51 2HE LYS 6 3HE LYS 6 2.727 -8.233 -0.353 52 1HZ LYS 6 1HZ LYS 6 1.384 -5.832 0.759 53 2HZ LYS 6 2HZ LYS 6 2.517 -5.819 -0.426 54 3HZ LYS 6 3HZ LYS 6 1.064 -6.542 -0.692 55 H GLU 7 H GLU 7 -1.071 -9.019 5.056 56 HA GLU 7 HA GLU 7 -3.317 -8.834 3.235 57 1HB GLU 7 2HB GLU 7 -2.987 -7.359 5.865 58 2HB GLU 7 3HB GLU 7 -4.448 -7.900 5.052 59 1HG GLU 7 2HG GLU 7 -4.298 -9.438 6.763 60 2HG GLU 7 3HG GLU 7 -3.460 -10.338 5.503 61 H ILE 8 H ILE 8 -3.946 -7.025 2.232 62 HA ILE 8 HA ILE 8 -2.888 -4.412 3.096 63 HB ILE 8 HB ILE 8 -1.421 -4.911 1.249 64 1HG1 ILE 8 2HG1 ILE 8 -3.537 -3.012 0.188 65 2HG1 ILE 8 3HG1 ILE 8 -2.403 -2.598 1.477 66 1HG2 ILE 8 1HG2 ILE 8 -2.210 -5.424 -1.003 67 2HG2 ILE 8 2HG2 ILE 8 -2.787 -6.632 0.151 68 3HG2 ILE 8 3HG2 ILE 8 -3.896 -5.393 -0.473 69 1HD1 ILE 8 1HD1 ILE 8 -1.512 -1.752 -0.577 70 2HD1 ILE 8 2HD1 ILE 8 -0.503 -3.129 -0.091 71 3HD1 ILE 8 3HD1 ILE 8 -1.694 -3.304 -1.401 72 H ALA 9 H ALA 9 -4.547 -2.940 3.288 73 HA ALA 9 HA ALA 9 -7.216 -3.581 2.148 74 1HB ALA 9 1HB ALA 9 -7.183 -3.845 4.589 75 2HB ALA 9 2HB ALA 9 -6.371 -2.277 4.778 76 3HB ALA 9 3HB ALA 9 -8.034 -2.341 4.167 77 H MET 10 H MET 10 -7.869 -2.017 0.709 78 HA MET 10 HA MET 10 -6.960 0.790 1.073 79 1HB MET 10 2HB MET 10 -6.266 -0.905 -1.364 80 2HB MET 10 3HB MET 10 -6.311 0.853 -1.406 81 1HG MET 10 2HG MET 10 -4.653 0.817 0.571 82 2HG MET 10 3HG MET 10 -4.431 -0.890 0.199 83 1HE MET 10 1HE MET 10 -2.925 -0.623 -3.457 84 2HE MET 10 2HE MET 10 -3.613 -1.721 -2.237 85 3HE MET 10 3HE MET 10 -4.671 -0.604 -3.135 86 H GLN 11 H GLN 11 -8.234 2.335 -0.158 87 HA GLN 11 HA GLN 11 -10.867 1.316 -0.960 88 1HB GLN 11 2HB GLN 11 -9.710 4.111 -0.722 89 2HB GLN 11 3HB GLN 11 -11.325 3.744 -1.370 90 1HG GLN 11 2HG GLN 11 -11.804 2.531 0.807 91 2HG GLN 11 3HG GLN 11 -10.285 3.195 1.433 92 1HE2 GLN 11 1HE2 GLN 11 -12.504 3.813 2.762 93 2HE2 GLN 11 2HE2 GLN 11 -13.038 5.467 2.472 94 H VAL 12 H VAL 12 -11.732 1.341 -2.968 95 HA VAL 12 HA VAL 12 -10.039 1.923 -5.313 96 HB VAL 12 HB VAL 12 -9.835 -0.434 -4.901 97 1HG1 VAL 12 1HG1 VAL 12 -11.795 -1.934 -4.753 98 2HG1 VAL 12 2HG1 VAL 12 -11.756 -0.828 -3.375 99 3HG1 VAL 12 3HG1 VAL 12 -12.881 -0.536 -4.707 100 1HG2 VAL 12 1HG2 VAL 12 -10.284 0.309 -7.253 101 2HG2 VAL 12 2HG2 VAL 12 -10.753 -1.373 -6.916 102 3HG2 VAL 12 3HG2 VAL 12 -11.996 -0.116 -7.010 103 H SER 13 H SER 13 -11.199 2.563 -7.143 104 HA SER 13 HA SER 13 -13.825 3.765 -6.494 105 1HB SER 13 2HB SER 13 -12.178 4.405 -8.929 106 2HB SER 13 3HB SER 13 -13.297 5.422 -8.005 107 HG SER 13 HG SER 13 -10.690 4.531 -7.269 108 H GLY 14 H GLY 14 -15.198 4.173 -8.549 109 1HA GLY 14 2HA GLY 14 -16.497 3.407 -10.260 110 2HA GLY 14 3HA GLY 14 -15.202 2.302 -10.729 111 H MET 15 H MET 15 -16.263 2.131 -7.451 112 HA MET 15 HA MET 15 -17.171 -0.588 -7.708 113 1HB MET 15 2HB MET 15 -16.908 1.429 -5.475 114 2HB MET 15 3HB MET 15 -17.831 -0.058 -5.199 115 1HG MET 15 2HG MET 15 -15.075 -0.159 -6.446 116 2HG MET 15 3HG MET 15 -15.284 -0.141 -4.700 117 1HE MET 15 1HE MET 15 -13.677 -2.346 -5.922 118 2HE MET 15 2HE MET 15 -14.511 -3.808 -6.469 119 3HE MET 15 3HE MET 15 -14.547 -2.331 -7.472 120 H THR 16 H THR 16 -18.743 -0.376 -9.299 121 HA THR 16 HA THR 16 -21.214 0.998 -8.878 122 HB THR 16 HB THR 16 -20.755 -1.458 -10.604 123 HG1 THR 16 1HG THR 16 -19.205 0.296 -10.948 124 1HG2 THR 16 1HG2 THR 16 -23.115 -0.861 -10.566 125 2HG2 THR 16 2HG2 THR 16 -22.719 0.851 -10.845 126 3HG2 THR 16 3HG2 THR 16 -22.411 -0.358 -12.106 127 H CYS 17 H CYS 17 -19.983 -1.731 -7.256 128 HA CYS 17 HA CYS 17 -20.809 -2.585 -5.324 129 1HB CYS 17 2HB CYS 17 -21.576 -0.347 -4.838 130 2HB CYS 17 3HB CYS 17 -23.112 -0.610 -5.687 131 HG CYS 17 HG CYS 17 -24.005 -2.487 -4.246 132 H ALA 18 H ALA 18 -20.867 -4.211 -7.130 133 HA ALA 18 HA ALA 18 -22.705 -6.206 -6.649 134 1HB ALA 18 1HB ALA 18 -23.454 -4.571 -9.125 135 2HB ALA 18 2HB ALA 18 -23.960 -6.260 -8.864 136 3HB ALA 18 3HB ALA 18 -24.495 -5.001 -7.760 137 H ALA 19 H ALA 19 -22.122 -5.863 -10.043 138 HA ALA 19 HA ALA 19 -20.406 -8.089 -10.059 139 1HB ALA 19 1HB ALA 19 -20.256 -7.672 -12.471 140 2HB ALA 19 2HB ALA 19 -21.924 -7.466 -11.895 141 3HB ALA 19 3HB ALA 19 -20.917 -6.036 -12.241 142 H CYS 20 H CYS 20 -19.555 -4.707 -9.694 143 HA CYS 20 HA CYS 20 -17.039 -4.706 -11.074 144 1HB CYS 20 2HB CYS 20 -18.261 -3.011 -8.862 145 2HB CYS 20 3HB CYS 20 -16.591 -2.742 -9.383 146 HG CYS 20 HG CYS 20 -19.150 -2.993 -11.431 147 H ALA 21 H ALA 21 -17.819 -5.025 -7.634 148 HA ALA 21 HA ALA 21 -15.366 -5.855 -6.569 149 1HB ALA 21 1HB ALA 21 -17.269 -5.432 -5.141 150 2HB ALA 21 2HB ALA 21 -18.265 -6.635 -5.986 151 3HB ALA 21 3HB ALA 21 -16.922 -7.177 -4.979 152 H ALA 22 H ALA 22 -17.966 -7.933 -7.852 153 HA ALA 22 HA ALA 22 -16.620 -10.376 -7.423 154 1HB ALA 22 1HB ALA 22 -18.674 -9.739 -9.583 155 2HB ALA 22 2HB ALA 22 -18.252 -11.348 -8.961 156 3HB ALA 22 3HB ALA 22 -19.043 -10.168 -7.895 157 H ARG 23 H ARG 23 -16.480 -8.131 -10.176 158 HA ARG 23 HA ARG 23 -14.948 -9.844 -11.881 159 1HB ARG 23 2HB ARG 23 -15.728 -6.936 -11.805 160 2HB ARG 23 3HB ARG 23 -14.271 -7.310 -12.703 161 1HG ARG 23 2HG ARG 23 -16.946 -8.685 -13.146 162 2HG ARG 23 3HG ARG 23 -16.289 -7.339 -14.089 163 1HD ARG 23 2HD ARG 23 -14.169 -9.214 -14.021 164 2HD ARG 23 3HD ARG 23 -15.604 -10.226 -14.178 165 HE ARG 23 HE ARG 23 -15.818 -8.036 -16.004 166 1HH1 ARG 23 2HH2 ARG 23 -13.830 -10.893 -15.554 167 2HH1 ARG 23 1HH2 ARG 23 -13.431 -11.093 -17.237 168 1HH2 ARG 23 2HH1 ARG 23 -15.270 -8.205 -18.235 169 2HH2 ARG 23 1HH1 ARG 23 -14.275 -9.502 -18.800 170 H ILE 24 H ILE 24 -13.998 -7.281 -9.490 171 HA ILE 24 HA ILE 24 -11.194 -7.566 -10.119 172 HB ILE 24 HB ILE 24 -12.714 -6.431 -7.772 173 1HG1 ILE 24 2HG1 ILE 24 -10.903 -5.047 -9.797 174 2HG1 ILE 24 3HG1 ILE 24 -12.588 -5.373 -10.194 175 1HG2 ILE 24 1HG2 ILE 24 -10.577 -5.443 -7.014 176 2HG2 ILE 24 2HG2 ILE 24 -10.678 -7.189 -6.826 177 3HG2 ILE 24 3HG2 ILE 24 -9.725 -6.502 -8.169 178 1HD1 ILE 24 1HD1 ILE 24 -12.196 -3.073 -9.278 179 2HD1 ILE 24 2HD1 ILE 24 -13.426 -4.052 -8.465 180 3HD1 ILE 24 3HD1 ILE 24 -11.830 -3.792 -7.712 181 H GLU 25 H GLU 25 -13.318 -9.029 -7.588 182 HA GLU 25 HA GLU 25 -11.308 -10.551 -6.324 183 1HB GLU 25 2HB GLU 25 -14.292 -11.034 -6.657 184 2HB GLU 25 3HB GLU 25 -13.250 -11.982 -5.585 185 1HG GLU 25 2HG GLU 25 -12.645 -10.014 -4.292 186 2HG GLU 25 3HG GLU 25 -13.538 -8.948 -5.382 187 H LYS 26 H LYS 26 -13.526 -11.544 -9.048 188 HA LYS 26 HA LYS 26 -12.377 -14.082 -9.335 189 1HB LYS 26 2HB LYS 26 -14.572 -13.160 -10.350 190 2HB LYS 26 3HB LYS 26 -13.536 -12.600 -11.684 191 1HG LYS 26 2HG LYS 26 -12.559 -15.031 -11.531 192 2HG LYS 26 3HG LYS 26 -14.015 -15.426 -10.629 193 1HD LYS 26 2HD LYS 26 -13.898 -14.326 -13.481 194 2HD LYS 26 3HD LYS 26 -14.112 -16.024 -13.024 195 1HE LYS 26 2HE LYS 26 -16.222 -15.341 -11.761 196 2HE LYS 26 3HE LYS 26 -16.057 -13.732 -12.484 197 1HZ LYS 26 1HZ LYS 26 -16.399 -16.280 -13.943 198 2HZ LYS 26 2HZ LYS 26 -17.541 -15.119 -13.744 199 3HZ LYS 26 3HZ LYS 26 -16.211 -14.811 -14.660 200 H GLY 27 H GLY 27 -11.528 -10.950 -10.762 201 1HA GLY 27 2HA GLY 27 -9.573 -11.839 -12.649 202 2HA GLY 27 3HA GLY 27 -9.730 -10.212 -11.957 203 H LEU 28 H LEU 28 -9.428 -10.882 -9.213 204 HA LEU 28 HA LEU 28 -6.585 -11.026 -9.035 205 1HB LEU 28 2HB LEU 28 -8.833 -10.640 -7.116 206 2HB LEU 28 3HB LEU 28 -7.305 -11.215 -6.469 207 HG LEU 28 HG LEU 28 -7.462 -8.613 -8.124 208 1HD1 LEU 28 1HD1 LEU 28 -8.746 -8.527 -6.086 209 2HD1 LEU 28 2HD1 LEU 28 -7.364 -9.185 -5.181 210 3HD1 LEU 28 3HD1 LEU 28 -7.243 -7.582 -5.963 211 1HD2 LEU 28 1HD2 LEU 28 -5.189 -9.783 -8.130 212 2HD2 LEU 28 2HD2 LEU 28 -5.313 -8.245 -7.307 213 3HD2 LEU 28 3HD2 LEU 28 -5.278 -9.763 -6.360 214 H LYS 29 H LYS 29 -9.195 -13.261 -7.993 215 HA LYS 29 HA LYS 29 -7.520 -15.237 -6.882 216 1HB LYS 29 2HB LYS 29 -10.030 -14.979 -6.684 217 2HB LYS 29 3HB LYS 29 -10.165 -15.670 -8.299 218 1HG LYS 29 2HG LYS 29 -10.233 -17.686 -7.369 219 2HG LYS 29 3HG LYS 29 -8.551 -17.537 -6.884 220 1HD LYS 29 2HD LYS 29 -10.911 -16.564 -5.207 221 2HD LYS 29 3HD LYS 29 -10.186 -18.179 -5.091 222 1HE LYS 29 2HE LYS 29 -7.960 -17.045 -4.570 223 2HE LYS 29 3HE LYS 29 -8.867 -15.522 -4.440 224 1HZ LYS 29 1HZ LYS 29 -9.410 -17.933 -2.823 225 2HZ LYS 29 2HZ LYS 29 -8.487 -16.704 -2.308 226 3HZ LYS 29 3HZ LYS 29 -10.086 -16.447 -2.611 227 H ARG 30 H ARG 30 -8.067 -14.451 -10.230 228 HA ARG 30 HA ARG 30 -7.183 -16.746 -11.553 229 1HB ARG 30 2HB ARG 30 -7.997 -14.418 -12.387 230 2HB ARG 30 3HB ARG 30 -6.316 -13.920 -12.260 231 1HG ARG 30 2HG ARG 30 -5.589 -15.204 -14.013 232 2HG ARG 30 3HG ARG 30 -6.825 -16.450 -13.790 233 1HD ARG 30 2HD ARG 30 -8.535 -15.127 -14.840 234 2HD ARG 30 3HD ARG 30 -7.599 -13.649 -14.649 235 HE ARG 30 HE ARG 30 -6.647 -13.954 -16.643 236 1HH1 ARG 30 2HH2 ARG 30 -7.628 -17.151 -15.546 237 2HH1 ARG 30 1HH2 ARG 30 -7.236 -17.964 -17.030 238 1HH2 ARG 30 2HH1 ARG 30 -6.158 -14.973 -18.645 239 2HH2 ARG 30 1HH1 ARG 30 -6.383 -16.677 -18.836 240 H MET 31 H MET 31 -5.324 -14.464 -9.595 241 HA MET 31 HA MET 31 -2.703 -15.296 -10.583 242 1HB MET 31 2HB MET 31 -3.474 -13.581 -8.205 243 2HB MET 31 3HB MET 31 -1.876 -13.680 -8.924 244 1HG MET 31 2HG MET 31 -3.896 -12.886 -10.926 245 2HG MET 31 3HG MET 31 -3.960 -11.864 -9.498 246 1HE MET 31 1HE MET 31 -1.718 -13.200 -12.426 247 2HE MET 31 2HE MET 31 -0.206 -12.300 -12.148 248 3HE MET 31 3HE MET 31 -0.708 -13.563 -11.005 249 HA PRO 32 HA PRO 32 -2.591 -18.761 -7.888 250 1HB PRO 32 2HB PRO 32 0.103 -19.176 -7.481 251 2HB PRO 32 3HB PRO 32 -0.744 -19.500 -9.016 252 1HG PRO 32 2HG PRO 32 0.817 -17.024 -8.259 253 2HG PRO 32 3HG PRO 32 0.950 -17.980 -9.761 254 1HD PRO 32 2HD PRO 32 -0.538 -15.719 -9.661 255 2HD PRO 32 3HD PRO 32 -1.138 -17.144 -10.566 256 H GLY 33 H GLY 33 -0.484 -16.025 -6.709 257 1HA GLY 33 2HA GLY 33 -0.333 -17.159 -4.079 258 2HA GLY 33 3HA GLY 33 0.233 -15.574 -4.609 259 H VAL 34 H VAL 34 -2.833 -15.383 -5.618 260 HA VAL 34 HA VAL 34 -3.720 -13.756 -3.384 261 HB VAL 34 HB VAL 34 -5.006 -14.728 -5.956 262 1HG1 VAL 34 1HG1 VAL 34 -6.804 -14.716 -4.320 263 2HG1 VAL 34 2HG1 VAL 34 -6.292 -13.131 -3.703 264 3HG1 VAL 34 3HG1 VAL 34 -6.947 -13.299 -5.352 265 1HG2 VAL 34 1HG2 VAL 34 -5.037 -12.307 -6.420 266 2HG2 VAL 34 2HG2 VAL 34 -4.378 -11.961 -4.816 267 3HG2 VAL 34 3HG2 VAL 34 -3.383 -12.811 -6.019 268 H THR 35 H THR 35 -4.102 -14.576 -1.490 269 HA THR 35 HA THR 35 -4.904 -17.392 -1.253 270 HB THR 35 HB THR 35 -4.453 -15.252 0.864 271 HG1 THR 35 1HG THR 35 -2.677 -16.301 -0.819 272 1HG2 THR 35 1HG2 THR 35 -5.579 -17.352 1.637 273 2HG2 THR 35 2HG2 THR 35 -4.242 -18.303 0.951 274 3HG2 THR 35 3HG2 THR 35 -3.944 -17.199 2.309 275 H ASP 36 H ASP 36 -6.039 -14.104 -0.185 276 HA ASP 36 HA ASP 36 -8.840 -15.014 -0.549 277 1HB ASP 36 2HB ASP 36 -7.804 -15.468 1.819 278 2HB ASP 36 3HB ASP 36 -8.010 -13.731 2.057 279 H ALA 37 H ALA 37 -9.581 -13.576 -1.957 280 HA ALA 37 HA ALA 37 -8.724 -10.720 -1.887 281 1HB ALA 37 1HB ALA 37 -8.369 -11.805 -4.071 282 2HB ALA 37 2HB ALA 37 -10.055 -12.367 -4.098 283 3HB ALA 37 3HB ALA 37 -9.695 -10.636 -4.179 284 H ASN 38 H ASN 38 -10.181 -9.393 -0.852 285 HA ASN 38 HA ASN 38 -13.079 -10.125 -0.912 286 1HB ASN 38 2HB ASN 38 -11.412 -9.152 1.457 287 2HB ASN 38 3HB ASN 38 -13.175 -9.265 1.423 288 1HD2 ASN 38 1HD2 ASN 38 -10.168 -11.222 1.125 289 2HD2 ASN 38 2HD2 ASN 38 -10.957 -12.756 1.477 290 H VAL 39 H VAL 39 -14.449 -8.271 -0.986 291 HA VAL 39 HA VAL 39 -13.197 -5.640 -0.542 292 HB VAL 39 HB VAL 39 -12.898 -5.936 -2.923 293 1HG1 VAL 39 1HG1 VAL 39 -14.782 -7.561 -3.300 294 2HG1 VAL 39 2HG1 VAL 39 -15.906 -6.197 -3.198 295 3HG1 VAL 39 3HG1 VAL 39 -14.668 -6.256 -4.477 296 1HG2 VAL 39 1HG2 VAL 39 -15.203 -3.996 -2.439 297 2HG2 VAL 39 2HG2 VAL 39 -13.502 -3.654 -2.081 298 3HG2 VAL 39 3HG2 VAL 39 -14.010 -3.948 -3.748 299 H ASN 40 H ASN 40 -14.274 -4.550 0.799 300 HA ASN 40 HA ASN 40 -17.101 -5.183 1.423 301 1HB ASN 40 2HB ASN 40 -15.101 -3.127 2.473 302 2HB ASN 40 3HB ASN 40 -16.800 -3.208 2.961 303 1HD2 ASN 40 1HD2 ASN 40 -17.573 -4.921 4.263 304 2HD2 ASN 40 2HD2 ASN 40 -16.445 -5.954 5.116 305 H LEU 41 H LEU 41 -17.502 -4.836 -0.921 306 HA LEU 41 HA LEU 41 -17.530 -2.301 -2.155 307 1HB LEU 41 2HB LEU 41 -19.338 -3.215 -3.539 308 2HB LEU 41 3HB LEU 41 -17.989 -4.326 -3.326 309 HG LEU 41 HG LEU 41 -19.691 -5.101 -1.283 310 1HD1 LEU 41 1HD1 LEU 41 -21.486 -3.611 -2.057 311 2HD1 LEU 41 2HD1 LEU 41 -21.428 -4.361 -3.670 312 3HD1 LEU 41 3HD1 LEU 41 -21.942 -5.310 -2.262 313 1HD2 LEU 41 1HD2 LEU 41 -19.699 -6.143 -4.140 314 2HD2 LEU 41 2HD2 LEU 41 -18.523 -6.592 -2.878 315 3HD2 LEU 41 3HD2 LEU 41 -20.228 -7.032 -2.698 316 H ALA 42 H ALA 42 -19.265 -3.325 0.609 317 HA ALA 42 HA ALA 42 -21.455 -1.452 0.498 318 1HB ALA 42 1HB ALA 42 -21.670 -1.977 2.899 319 2HB ALA 42 2HB ALA 42 -21.493 -3.456 1.935 320 3HB ALA 42 3HB ALA 42 -20.112 -2.831 2.866 321 H THR 43 H THR 43 -18.035 -1.295 1.619 322 HA THR 43 HA THR 43 -18.426 1.600 2.275 323 HB THR 43 HB THR 43 -16.601 1.234 3.925 324 HG1 THR 43 1HG THR 43 -15.985 -0.829 4.396 325 1HG2 THR 43 1HG2 THR 43 -18.000 0.149 5.621 326 2HG2 THR 43 2HG2 THR 43 -19.021 1.181 4.600 327 3HG2 THR 43 3HG2 THR 43 -19.026 -0.580 4.373 328 H GLU 44 H GLU 44 -17.203 -0.344 -0.054 329 HA GLU 44 HA GLU 44 -15.849 -0.028 -1.797 330 1HB GLU 44 2HB GLU 44 -15.545 2.854 -0.856 331 2HB GLU 44 3HB GLU 44 -15.110 2.211 -2.440 332 1HG GLU 44 2HG GLU 44 -17.493 1.589 -2.841 333 2HG GLU 44 3HG GLU 44 -17.931 2.323 -1.288 334 H THR 45 H THR 45 -14.736 -1.316 0.389 335 HA THR 45 HA THR 45 -11.881 -0.334 0.360 336 HB THR 45 HB THR 45 -13.559 -1.359 2.644 337 HG1 THR 45 1HG THR 45 -11.716 0.701 2.906 338 1HG2 THR 45 1HG2 THR 45 -11.429 -1.388 3.977 339 2HG2 THR 45 2HG2 THR 45 -11.587 -2.706 2.809 340 3HG2 THR 45 3HG2 THR 45 -10.520 -1.325 2.453 341 H VAL 46 H VAL 46 -10.731 -1.690 -0.885 342 HA VAL 46 HA VAL 46 -11.524 -4.513 -1.212 343 HB VAL 46 HB VAL 46 -11.109 -3.436 -3.259 344 1HG1 VAL 46 1HG1 VAL 46 -8.887 -2.525 -3.910 345 2HG1 VAL 46 2HG1 VAL 46 -9.679 -1.530 -2.695 346 3HG1 VAL 46 3HG1 VAL 46 -8.351 -2.614 -2.227 347 1HG2 VAL 46 1HG2 VAL 46 -8.684 -5.106 -2.590 348 2HG2 VAL 46 2HG2 VAL 46 -10.301 -5.763 -2.944 349 3HG2 VAL 46 3HG2 VAL 46 -9.408 -4.867 -4.191 350 H ASN 47 H ASN 47 -10.511 -6.088 -0.143 351 HA ASN 47 HA ASN 47 -8.057 -5.437 1.414 352 1HB ASN 47 2HB ASN 47 -10.464 -7.124 2.247 353 2HB ASN 47 3HB ASN 47 -8.942 -7.015 3.148 354 1HD2 ASN 47 1HD2 ASN 47 -11.737 -6.276 4.002 355 2HD2 ASN 47 2HD2 ASN 47 -11.605 -4.593 4.454 356 H VAL 48 H VAL 48 -6.443 -6.689 0.502 357 HA VAL 48 HA VAL 48 -7.244 -9.365 -0.605 358 HB VAL 48 HB VAL 48 -4.930 -7.821 -1.740 359 1HG1 VAL 48 1HG1 VAL 48 -5.291 -10.316 -2.178 360 2HG1 VAL 48 2HG1 VAL 48 -6.836 -9.898 -2.921 361 3HG1 VAL 48 3HG1 VAL 48 -5.331 -9.315 -3.639 362 1HG2 VAL 48 1HG2 VAL 48 -7.840 -7.593 -2.613 363 2HG2 VAL 48 2HG2 VAL 48 -6.759 -6.276 -2.085 364 3HG2 VAL 48 3HG2 VAL 48 -6.448 -7.114 -3.605 365 H ILE 49 H ILE 49 -6.263 -11.031 0.288 366 HA ILE 49 HA ILE 49 -3.770 -10.593 1.835 367 HB ILE 49 HB ILE 49 -5.900 -12.759 2.163 368 1HG1 ILE 49 2HG1 ILE 49 -5.925 -11.603 4.533 369 2HG1 ILE 49 3HG1 ILE 49 -5.310 -10.194 3.666 370 1HG2 ILE 49 1HG2 ILE 49 -3.343 -12.185 3.718 371 2HG2 ILE 49 2HG2 ILE 49 -4.568 -13.393 4.158 372 3HG2 ILE 49 3HG2 ILE 49 -3.643 -13.590 2.674 373 1HD1 ILE 49 1HD1 ILE 49 -7.405 -10.195 2.276 374 2HD1 ILE 49 2HD1 ILE 49 -7.924 -11.680 3.097 375 3HD1 ILE 49 3HD1 ILE 49 -7.768 -10.167 4.000 376 H TYR 50 H TYR 50 -1.972 -11.530 0.876 377 HA TYR 50 HA TYR 50 -2.302 -13.884 -0.855 378 1HB TYR 50 2HB TYR 50 -1.364 -12.697 -2.840 379 2HB TYR 50 3HB TYR 50 -2.937 -12.069 -2.351 380 HD1 TYR 50 HD1 TYR 50 -3.252 -9.912 -1.389 381 HD2 TYR 50 HD2 TYR 50 0.652 -11.255 -2.573 382 HE1 TYR 50 HE1 TYR 50 -2.546 -7.599 -1.755 383 HE2 TYR 50 HE2 TYR 50 1.482 -8.926 -2.496 384 HH TYR 50 HH TYR 50 -0.754 -6.202 -2.131 385 H ASP 51 H ASP 51 -0.294 -14.606 -1.847 386 HA ASP 51 HA ASP 51 1.866 -14.622 0.048 387 1HB ASP 51 2HB ASP 51 1.380 -16.610 -1.216 388 2HB ASP 51 3HB ASP 51 1.521 -15.736 -2.753 389 HA PRO 52 HA PRO 52 3.634 -10.915 -1.794 390 1HB PRO 52 2HB PRO 52 5.798 -10.551 -0.125 391 2HB PRO 52 3HB PRO 52 4.118 -10.399 0.424 392 1HG PRO 52 2HG PRO 52 5.934 -12.824 0.687 393 2HG PRO 52 3HG PRO 52 4.942 -12.075 1.969 394 1HD PRO 52 2HD PRO 52 4.156 -14.239 0.481 395 2HD PRO 52 3HD PRO 52 2.994 -13.035 1.143 396 H ALA 53 H ALA 53 4.637 -13.816 -2.681 397 HA ALA 53 HA ALA 53 7.250 -12.934 -3.847 398 1HB ALA 53 1HB ALA 53 6.566 -15.621 -2.601 399 2HB ALA 53 2HB ALA 53 8.086 -15.185 -3.410 400 3HB ALA 53 3HB ALA 53 7.614 -14.369 -1.908 401 H GLU 54 H GLU 54 4.325 -14.936 -4.237 402 HA GLU 54 HA GLU 54 4.986 -15.579 -7.001 403 1HB GLU 54 2HB GLU 54 2.388 -15.766 -5.425 404 2HB GLU 54 3HB GLU 54 2.681 -16.429 -7.040 405 1HG GLU 54 2HG GLU 54 4.668 -17.705 -5.991 406 2HG GLU 54 3HG GLU 54 3.958 -17.304 -4.427 407 H THR 55 H THR 55 2.911 -13.075 -5.394 408 HA THR 55 HA THR 55 1.641 -12.527 -8.008 409 HB THR 55 HB THR 55 0.908 -12.483 -5.074 410 HG1 THR 55 1HG THR 55 -0.642 -13.962 -5.904 411 1HG2 THR 55 1HG2 THR 55 -0.215 -10.505 -6.259 412 2HG2 THR 55 2HG2 THR 55 -0.977 -11.736 -7.288 413 3HG2 THR 55 3HG2 THR 55 -1.199 -11.774 -5.507 414 H GLY 56 H GLY 56 1.708 -10.448 -5.120 415 1HA GLY 56 2HA GLY 56 3.394 -8.816 -4.694 416 2HA GLY 56 3HA GLY 56 3.672 -8.611 -6.424 417 H THR 57 H THR 57 2.417 -7.152 -3.928 418 HA THR 57 HA THR 57 0.071 -5.834 -4.262 419 HB THR 57 HB THR 57 1.552 -5.108 -2.559 420 HG1 THR 57 1HG THR 57 1.654 -2.761 -3.216 421 1HG2 THR 57 1HG2 THR 57 3.716 -5.465 -3.631 422 2HG2 THR 57 2HG2 THR 57 3.329 -4.132 -4.742 423 3HG2 THR 57 3HG2 THR 57 3.532 -3.825 -3.002 424 H ALA 58 H ALA 58 2.835 -5.184 -6.414 425 HA ALA 58 HA ALA 58 1.511 -3.153 -7.914 426 1HB ALA 58 1HB ALA 58 3.794 -5.021 -8.727 427 2HB ALA 58 2HB ALA 58 3.327 -3.520 -9.555 428 3HB ALA 58 3HB ALA 58 3.967 -3.453 -7.902 429 H ALA 59 H ALA 59 1.581 -6.760 -8.306 430 HA ALA 59 HA ALA 59 0.334 -6.649 -10.938 431 1HB ALA 59 1HB ALA 59 0.511 -8.887 -8.908 432 2HB ALA 59 2HB ALA 59 0.020 -9.018 -10.615 433 3HB ALA 59 3HB ALA 59 1.691 -8.553 -10.207 434 H ILE 60 H ILE 60 -0.667 -6.910 -7.551 435 HA ILE 60 HA ILE 60 -3.375 -7.672 -8.000 436 HB ILE 60 HB ILE 60 -2.367 -5.926 -5.796 437 1HG1 ILE 60 2HG1 ILE 60 -1.149 -8.361 -6.280 438 2HG1 ILE 60 3HG1 ILE 60 -1.178 -7.492 -4.748 439 1HG2 ILE 60 1HG2 ILE 60 -4.757 -6.102 -5.741 440 2HG2 ILE 60 2HG2 ILE 60 -4.587 -7.826 -5.352 441 3HG2 ILE 60 3HG2 ILE 60 -3.899 -6.619 -4.278 442 1HD1 ILE 60 1HD1 ILE 60 -3.075 -8.861 -4.048 443 2HD1 ILE 60 2HD1 ILE 60 -2.988 -9.741 -5.606 444 3HD1 ILE 60 3HD1 ILE 60 -1.613 -9.757 -4.469 445 H GLN 61 H GLN 61 -1.818 -4.491 -7.377 446 HA GLN 61 HA GLN 61 -4.194 -2.997 -7.872 447 1HB GLN 61 2HB GLN 61 -3.021 -1.145 -7.336 448 2HB GLN 61 3HB GLN 61 -2.071 -2.390 -6.539 449 1HG GLN 61 2HG GLN 61 -0.456 -1.001 -7.453 450 2HG GLN 61 3HG GLN 61 -0.534 -2.334 -8.600 451 1HE2 GLN 61 1HE2 GLN 61 -2.218 0.822 -8.058 452 2HE2 GLN 61 2HE2 GLN 61 -2.230 1.197 -9.780 453 H GLU 62 H GLU 62 -1.533 -4.110 -10.032 454 HA GLU 62 HA GLU 62 -2.285 -2.676 -12.345 455 1HB GLU 62 2HB GLU 62 -0.212 -4.063 -12.106 456 2HB GLU 62 3HB GLU 62 -1.228 -5.510 -12.094 457 1HG GLU 62 2HG GLU 62 -2.030 -4.599 -14.441 458 2HG GLU 62 3HG GLU 62 -0.502 -3.702 -14.365 459 H LYS 63 H LYS 63 -3.574 -5.709 -10.886 460 HA LYS 63 HA LYS 63 -5.313 -6.360 -13.010 461 1HB LYS 63 2HB LYS 63 -4.551 -7.646 -10.719 462 2HB LYS 63 3HB LYS 63 -6.071 -6.963 -10.154 463 1HG LYS 63 2HG LYS 63 -6.837 -8.922 -10.967 464 2HG LYS 63 3HG LYS 63 -6.987 -7.963 -12.444 465 1HD LYS 63 2HD LYS 63 -4.761 -9.906 -11.652 466 2HD LYS 63 3HD LYS 63 -5.980 -10.162 -12.908 467 1HE LYS 63 2HE LYS 63 -5.003 -8.291 -14.246 468 2HE LYS 63 3HE LYS 63 -3.785 -8.015 -12.977 469 1HZ LYS 63 1HZ LYS 63 -2.868 -9.262 -14.714 470 2HZ LYS 63 2HZ LYS 63 -2.932 -10.190 -13.360 471 3HZ LYS 63 3HZ LYS 63 -4.010 -10.445 -14.587 472 H ILE 64 H ILE 64 -5.879 -4.442 -10.025 473 HA ILE 64 HA ILE 64 -8.601 -3.815 -10.564 474 HB ILE 64 HB ILE 64 -6.457 -2.211 -9.100 475 1HG1 ILE 64 2HG1 ILE 64 -8.667 -4.062 -8.061 476 2HG1 ILE 64 3HG1 ILE 64 -6.974 -4.536 -8.212 477 1HG2 ILE 64 1HG2 ILE 64 -9.482 -1.904 -9.103 478 2HG2 ILE 64 2HG2 ILE 64 -8.365 -1.049 -8.021 479 3HG2 ILE 64 3HG2 ILE 64 -8.297 -0.738 -9.744 480 1HD1 ILE 64 1HD1 ILE 64 -8.075 -2.428 -6.331 481 2HD1 ILE 64 2HD1 ILE 64 -7.336 -3.983 -5.937 482 3HD1 ILE 64 3HD1 ILE 64 -6.341 -2.691 -6.637 483 H GLU 65 H GLU 65 -5.570 -2.130 -11.555 484 HA GLU 65 HA GLU 65 -6.938 -0.036 -12.934 485 1HB GLU 65 2HB GLU 65 -4.112 -1.135 -13.253 486 2HB GLU 65 3HB GLU 65 -4.745 0.273 -14.109 487 1HG GLU 65 2HG GLU 65 -5.388 1.245 -11.817 488 2HG GLU 65 3HG GLU 65 -4.482 -0.077 -11.083 489 H LYS 66 H LYS 66 -5.495 -3.019 -14.278 490 HA LYS 66 HA LYS 66 -6.353 -2.634 -16.959 491 1HB LYS 66 2HB LYS 66 -5.682 -5.113 -15.347 492 2HB LYS 66 3HB LYS 66 -6.211 -5.171 -17.038 493 1HG LYS 66 2HG LYS 66 -4.387 -3.593 -17.666 494 2HG LYS 66 3HG LYS 66 -3.768 -3.663 -16.000 495 1HD LYS 66 2HD LYS 66 -3.303 -6.027 -16.200 496 2HD LYS 66 3HD LYS 66 -4.294 -6.153 -17.663 497 1HE LYS 66 2HE LYS 66 -2.074 -6.299 -18.434 498 2HE LYS 66 3HE LYS 66 -2.640 -4.685 -18.887 499 1HZ LYS 66 1HZ LYS 66 -0.931 -5.438 -16.623 500 2HZ LYS 66 2HZ LYS 66 -0.433 -4.611 -17.947 501 3HZ LYS 66 3HZ LYS 66 -1.450 -3.899 -16.854 502 H LEU 67 H LEU 67 -8.106 -3.968 -14.139 503 HA LEU 67 HA LEU 67 -10.394 -4.846 -15.679 504 1HB LEU 67 2HB LEU 67 -9.802 -4.324 -12.762 505 2HB LEU 67 3HB LEU 67 -11.419 -4.664 -13.302 506 HG LEU 67 HG LEU 67 -9.660 -6.540 -12.462 507 1HD1 LEU 67 1HD1 LEU 67 -11.291 -8.174 -13.349 508 2HD1 LEU 67 2HD1 LEU 67 -12.056 -6.766 -12.597 509 3HD1 LEU 67 3HD1 LEU 67 -11.993 -6.898 -14.371 510 1HD2 LEU 67 1HD2 LEU 67 -8.241 -6.472 -14.534 511 2HD2 LEU 67 2HD2 LEU 67 -9.032 -8.023 -14.257 512 3HD2 LEU 67 3HD2 LEU 67 -9.669 -6.929 -15.487 513 H GLY 68 H GLY 68 -9.263 -1.695 -15.151 514 1HA GLY 68 2HA GLY 68 -10.189 0.107 -16.223 515 2HA GLY 68 3HA GLY 68 -11.762 -0.695 -16.328 516 H TYR 69 H TYR 69 -9.663 -0.165 -13.477 517 HA TYR 69 HA TYR 69 -11.615 1.771 -12.322 518 1HB TYR 69 2HB TYR 69 -10.374 -0.576 -10.862 519 2HB TYR 69 3HB TYR 69 -11.519 0.583 -10.194 520 HD1 TYR 69 HD1 TYR 69 -11.210 -2.657 -11.568 521 HD2 TYR 69 HD2 TYR 69 -13.813 0.767 -11.603 522 HE1 TYR 69 HE1 TYR 69 -13.157 -4.117 -12.126 523 HE2 TYR 69 HE2 TYR 69 -15.711 -0.671 -12.269 524 HH TYR 69 HH TYR 69 -16.371 -2.822 -12.818 525 H HIS 70 H HIS 70 -10.507 2.585 -10.127 526 HA HIS 70 HA HIS 70 -7.595 2.891 -10.420 527 1HB HIS 70 2HB HIS 70 -9.602 5.118 -10.720 528 2HB HIS 70 3HB HIS 70 -8.215 5.427 -9.680 529 HD1 HIS 70 1HD HIS 70 -9.065 5.548 -13.274 530 HD2 HIS 70 2HD HIS 70 -5.690 5.025 -10.815 531 HE1 HIS 70 1HE HIS 70 -7.022 6.135 -14.692 532 H VAL 71 H VAL 71 -6.585 3.282 -8.473 533 HA VAL 71 HA VAL 71 -8.165 2.610 -6.058 534 HB VAL 71 HB VAL 71 -5.956 2.063 -5.119 535 1HG1 VAL 71 1HG1 VAL 71 -6.552 0.623 -7.726 536 2HG1 VAL 71 2HG1 VAL 71 -5.644 -0.016 -6.342 537 3HG1 VAL 71 3HG1 VAL 71 -7.372 0.346 -6.171 538 1HG2 VAL 71 1HG2 VAL 71 -4.816 2.431 -7.924 539 2HG2 VAL 71 2HG2 VAL 71 -4.525 3.544 -6.572 540 3HG2 VAL 71 3HG2 VAL 71 -3.973 1.867 -6.476 541 H VAL 72 H VAL 72 -8.156 3.886 -4.232 542 HA VAL 72 HA VAL 72 -7.773 6.747 -4.793 543 HB VAL 72 HB VAL 72 -8.761 5.297 -2.322 544 1HG1 VAL 72 1HG1 VAL 72 -9.248 8.167 -3.266 545 2HG1 VAL 72 2HG1 VAL 72 -10.000 7.404 -1.849 546 3HG1 VAL 72 3HG1 VAL 72 -8.265 7.710 -1.863 547 1HG2 VAL 72 1HG2 VAL 72 -10.399 6.373 -4.649 548 2HG2 VAL 72 2HG2 VAL 72 -10.198 4.661 -4.223 549 3HG2 VAL 72 3HG2 VAL 72 -11.050 5.737 -3.121 550 H THR 73 H THR 73 -5.334 5.942 -5.052 551 HA THR 73 HA THR 73 -3.927 5.994 -2.416 552 HB THR 73 HB THR 73 -3.077 4.290 -4.764 553 HG1 THR 73 1HG THR 73 -5.196 3.695 -4.123 554 1HG2 THR 73 1HG2 THR 73 -1.500 4.730 -2.815 555 2HG2 THR 73 2HG2 THR 73 -2.700 3.865 -1.803 556 3HG2 THR 73 3HG2 THR 73 -1.879 3.030 -3.128 557 H GLU 74 H GLU 74 -2.093 7.227 -2.307 558 HA GLU 74 HA GLU 74 -1.357 8.751 -4.762 559 1HB GLU 74 2HB GLU 74 -1.987 9.885 -2.005 560 2HB GLU 74 3HB GLU 74 -1.482 10.795 -3.438 561 1HG GLU 74 2HG GLU 74 -3.538 9.997 -4.633 562 2HG GLU 74 3HG GLU 74 -4.078 9.206 -3.140 563 H LYS 75 H LYS 75 0.679 9.260 -4.958 564 HA LYS 75 HA LYS 75 2.751 8.112 -3.223 565 1HB LYS 75 2HB LYS 75 4.264 8.602 -4.928 566 2HB LYS 75 3HB LYS 75 2.837 7.807 -5.608 567 1HG LYS 75 2HG LYS 75 2.020 10.154 -6.245 568 2HG LYS 75 3HG LYS 75 3.679 10.682 -5.937 569 1HD LYS 75 2HD LYS 75 2.807 8.513 -7.897 570 2HD LYS 75 3HD LYS 75 3.349 10.153 -8.310 571 1HE LYS 75 2HE LYS 75 5.585 9.635 -7.253 572 2HE LYS 75 3HE LYS 75 5.033 7.974 -6.950 573 1HZ LYS 75 1HZ LYS 75 4.796 7.632 -9.261 574 2HZ LYS 75 2HZ LYS 75 5.283 9.175 -9.610 575 3HZ LYS 75 3HZ LYS 75 6.330 8.110 -8.916 576 H ALA 76 H ALA 76 2.644 9.225 -1.334 577 HA ALA 76 HA ALA 76 2.988 12.205 -1.416 578 1HB ALA 76 1HB ALA 76 2.663 10.335 0.949 579 2HB ALA 76 2HB ALA 76 2.703 12.108 0.994 580 3HB ALA 76 3HB ALA 76 1.369 11.273 0.172 581 H GLU 77 H GLU 77 5.013 13.174 -1.146 582 HA GLU 77 HA GLU 77 7.328 11.395 -0.600 583 1HB GLU 77 2HB GLU 77 7.107 14.291 -1.540 584 2HB GLU 77 3HB GLU 77 8.616 13.516 -1.042 585 1HG GLU 77 2HG GLU 77 8.395 11.821 -2.789 586 2HG GLU 77 3HG GLU 77 6.891 12.576 -3.356 587 H PHE 78 H PHE 78 7.890 11.130 1.468 588 HA PHE 78 HA PHE 78 7.678 13.436 3.377 589 1HB PHE 78 2HB PHE 78 7.471 10.460 3.890 590 2HB PHE 78 3HB PHE 78 7.556 11.684 5.146 591 HD1 PHE 78 1HD PHE 78 5.547 13.587 3.228 592 HD2 PHE 78 2HD PHE 78 5.392 9.687 5.092 593 HE1 PHE 78 1HE PHE 78 3.118 13.672 3.181 594 HE2 PHE 78 2HE PHE 78 2.917 9.827 5.076 595 HZ PHE 78 HZ PHE 78 1.781 11.762 4.015 596 H ASP 79 H ASP 79 9.385 13.822 4.675 597 HA ASP 79 HA ASP 79 12.014 13.133 3.459 598 1HB ASP 79 2HB ASP 79 11.392 15.512 3.532 599 2HB ASP 79 3HB ASP 79 11.023 15.397 5.255 600 H ILE 80 H ILE 80 13.703 12.258 4.960 601 HA ILE 80 HA ILE 80 12.461 11.160 7.471 602 HB ILE 80 HB ILE 80 14.693 10.004 5.859 603 1HG1 ILE 80 2HG1 ILE 80 11.729 9.499 5.451 604 2HG1 ILE 80 3HG1 ILE 80 12.873 10.235 4.304 605 1HG2 ILE 80 1HG2 ILE 80 14.131 7.951 7.068 606 2HG2 ILE 80 2HG2 ILE 80 14.318 9.241 8.246 607 3HG2 ILE 80 3HG2 ILE 80 12.691 8.721 7.771 608 1HD1 ILE 80 1HD1 ILE 80 14.288 8.247 4.431 609 2HD1 ILE 80 2HD1 ILE 80 12.924 7.422 5.274 610 3HD1 ILE 80 3HD1 ILE 80 12.721 8.061 3.630 611 H GLU 81 H GLU 81 13.316 11.630 9.367 612 HA GLU 81 HA GLU 81 16.117 12.690 9.524 613 1HB GLU 81 2HB GLU 81 13.709 13.023 11.315 614 2HB GLU 81 3HB GLU 81 15.319 13.711 11.628 615 1HG GLU 81 2HG GLU 81 15.139 15.027 9.550 616 2HG GLU 81 3HG GLU 81 13.547 14.339 9.224 617 H GLY 82 H GLY 82 17.260 10.750 9.762 618 1HA GLY 82 2HA GLY 82 17.500 9.696 12.328 619 2HA GLY 82 3HA GLY 82 16.376 8.611 11.487 620 H MET 83 H MET 83 17.221 8.260 9.043 621 HA MET 83 HA MET 83 19.401 6.510 9.384 622 1HB MET 83 2HB MET 83 19.273 5.983 7.083 623 2HB MET 83 3HB MET 83 17.613 6.287 7.624 624 1HG MET 83 2HG MET 83 19.309 8.229 6.019 625 2HG MET 83 3HG MET 83 18.047 7.192 5.402 626 1HE MET 83 1HE MET 83 17.224 9.377 4.242 627 2HE MET 83 2HE MET 83 16.627 10.802 5.134 628 3HE MET 83 3HE MET 83 18.360 10.407 5.168 629 H THR 84 H THR 84 21.483 6.911 9.711 630 HA THR 84 HA THR 84 22.853 8.919 7.978 631 HB THR 84 HB THR 84 24.311 9.306 10.021 632 HG1 THR 84 1HG THR 84 23.251 8.720 12.012 633 1HG2 THR 84 1HG2 THR 84 22.796 10.892 11.066 634 2HG2 THR 84 2HG2 THR 84 22.495 10.894 9.319 635 3HG2 THR 84 3HG2 THR 84 21.378 10.055 10.413 636 H CYS 85 H CYS 85 22.459 5.742 8.207 637 HA CYS 85 HA CYS 85 25.333 5.202 7.564 638 1HB CYS 85 2HB CYS 85 23.585 3.684 9.511 639 2HB CYS 85 3HB CYS 85 24.785 2.809 8.530 640 HG CYS 85 HG CYS 85 26.825 4.214 9.097 641 H ALA 86 H ALA 86 23.149 2.554 7.412 642 HA ALA 86 HA ALA 86 22.185 3.005 4.704 643 1HB ALA 86 1HB ALA 86 23.630 1.273 3.669 644 2HB ALA 86 2HB ALA 86 24.593 2.648 4.230 645 3HB ALA 86 3HB ALA 86 24.561 1.146 5.177 646 H ALA 87 H ALA 87 20.868 2.432 7.026 647 HA ALA 87 HA ALA 87 19.960 -0.372 6.727 648 1HB ALA 87 1HB ALA 87 21.146 0.691 9.324 649 2HB ALA 87 2HB ALA 87 20.364 -0.887 9.083 650 3HB ALA 87 3HB ALA 87 21.888 -0.522 8.255 651 H CYS 88 H CYS 88 19.617 2.684 8.697 652 HA CYS 88 HA CYS 88 17.184 2.006 9.856 653 1HB CYS 88 2HB CYS 88 18.188 4.724 9.007 654 2HB CYS 88 3HB CYS 88 16.895 4.446 10.186 655 HG CYS 88 HG CYS 88 19.045 5.184 11.440 656 H ALA 89 H ALA 89 17.824 3.706 6.772 657 HA ALA 89 HA ALA 89 15.150 4.161 5.950 658 1HB ALA 89 1HB ALA 89 16.065 4.393 3.721 659 2HB ALA 89 2HB ALA 89 17.186 5.134 4.877 660 3HB ALA 89 3HB ALA 89 17.541 3.531 4.188 661 H ASN 90 H ASN 90 17.225 1.244 5.752 662 HA ASN 90 HA ASN 90 15.491 -0.129 3.890 663 1HB ASN 90 2HB ASN 90 17.527 -1.368 5.776 664 2HB ASN 90 3HB ASN 90 16.823 -2.091 4.329 665 1HD2 ASN 90 1HD2 ASN 90 19.618 -1.946 4.700 666 2HD2 ASN 90 2HD2 ASN 90 20.285 -0.764 3.605 667 H ARG 91 H ARG 91 15.971 -0.042 7.414 668 HA ARG 91 HA ARG 91 14.012 -2.012 8.044 669 1HB ARG 91 2HB ARG 91 15.707 -0.100 9.503 670 2HB ARG 91 3HB ARG 91 14.119 -0.224 10.244 671 1HG ARG 91 2HG ARG 91 15.772 -2.650 9.462 672 2HG ARG 91 3HG ARG 91 15.890 -1.888 11.055 673 1HD ARG 91 2HD ARG 91 13.686 -2.404 11.661 674 2HD ARG 91 3HD ARG 91 13.170 -2.722 9.991 675 HE ARG 91 HE ARG 91 15.216 -4.566 10.637 676 1HH1 ARG 91 2HH2 ARG 91 11.913 -3.823 11.566 677 2HH1 ARG 91 1HH2 ARG 91 11.439 -5.465 11.886 678 1HH2 ARG 91 2HH1 ARG 91 14.633 -6.785 11.005 679 2HH2 ARG 91 1HH1 ARG 91 13.041 -7.194 11.551 680 H ILE 92 H ILE 92 13.718 1.587 7.968 681 HA ILE 92 HA ILE 92 10.909 1.528 8.515 682 HB ILE 92 HB ILE 92 10.840 3.844 7.617 683 1HG1 ILE 92 2HG1 ILE 92 13.431 4.697 7.498 684 2HG1 ILE 92 3HG1 ILE 92 13.443 3.165 6.628 685 1HG2 ILE 92 1HG2 ILE 92 11.254 3.452 9.969 686 2HG2 ILE 92 2HG2 ILE 92 12.994 3.216 9.665 687 3HG2 ILE 92 3HG2 ILE 92 12.235 4.803 9.413 688 1HD1 ILE 92 1HD1 ILE 92 11.572 3.991 5.189 689 2HD1 ILE 92 2HD1 ILE 92 11.597 5.524 6.092 690 3HD1 ILE 92 3HD1 ILE 92 12.999 5.051 5.113 691 H GLU 93 H GLU 93 12.686 1.224 5.377 692 HA GLU 93 HA GLU 93 10.491 1.405 3.654 693 1HB GLU 93 2HB GLU 93 12.862 1.370 2.950 694 2HB GLU 93 3HB GLU 93 13.027 -0.313 3.432 695 1HG GLU 93 2HG GLU 93 10.988 0.659 1.423 696 2HG GLU 93 3HG GLU 93 12.635 0.189 0.979 697 H LYS 94 H LYS 94 12.078 -1.513 5.065 698 HA LYS 94 HA LYS 94 10.187 -3.321 4.160 699 1HB LYS 94 2HB LYS 94 11.929 -3.359 6.655 700 2HB LYS 94 3HB LYS 94 10.929 -4.742 6.198 701 1HG LYS 94 2HG LYS 94 13.049 -3.497 4.393 702 2HG LYS 94 3HG LYS 94 13.299 -4.904 5.423 703 1HD LYS 94 2HD LYS 94 10.945 -5.530 3.940 704 2HD LYS 94 3HD LYS 94 11.928 -4.611 2.813 705 1HE LYS 94 2HE LYS 94 12.507 -6.879 2.453 706 2HE LYS 94 3HE LYS 94 13.872 -6.169 3.325 707 1HZ LYS 94 1HZ LYS 94 12.934 -7.138 5.352 708 2HZ LYS 94 2HZ LYS 94 11.706 -7.809 4.486 709 3HZ LYS 94 3HZ LYS 94 13.255 -8.299 4.229 710 H ARG 95 H ARG 95 9.747 -1.050 6.782 711 HA ARG 95 HA ARG 95 7.196 -2.426 7.579 712 1HB ARG 95 2HB ARG 95 8.514 0.159 8.469 713 2HB ARG 95 3HB ARG 95 6.785 -0.113 8.657 714 1HG ARG 95 2HG ARG 95 7.873 -2.516 9.608 715 2HG ARG 95 3HG ARG 95 9.032 -1.312 10.127 716 1HD ARG 95 2HD ARG 95 7.124 0.040 11.098 717 2HD ARG 95 3HD ARG 95 5.973 -1.164 10.561 718 HE ARG 95 HE ARG 95 7.642 -1.219 12.913 719 1HH1 ARG 95 2HH2 ARG 95 6.068 -3.291 10.548 720 2HH1 ARG 95 1HH2 ARG 95 5.861 -4.654 11.604 721 1HH2 ARG 95 2HH1 ARG 95 7.417 -3.007 14.368 722 2HH2 ARG 95 1HH1 ARG 95 6.671 -4.480 13.841 723 H LEU 96 H LEU 96 7.970 0.760 6.278 724 HA LEU 96 HA LEU 96 5.428 1.583 5.597 725 1HB LEU 96 2HB LEU 96 8.003 2.215 4.160 726 2HB LEU 96 3HB LEU 96 6.451 3.035 3.934 727 HG LEU 96 HG LEU 96 8.142 3.054 6.490 728 1HD1 LEU 96 1HD1 LEU 96 8.060 5.482 6.051 729 2HD1 LEU 96 2HD1 LEU 96 8.777 4.582 4.701 730 3HD1 LEU 96 3HD1 LEU 96 7.092 5.166 4.588 731 1HD2 LEU 96 1HD2 LEU 96 5.282 3.902 6.073 732 2HD2 LEU 96 2HD2 LEU 96 5.972 2.878 7.353 733 3HD2 LEU 96 3HD2 LEU 96 6.317 4.606 7.337 734 H ASN 97 H ASN 97 7.561 -0.346 3.551 735 HA ASN 97 HA ASN 97 6.476 -0.757 1.163 736 1HB ASN 97 2HB ASN 97 8.341 -2.031 2.286 737 2HB ASN 97 3HB ASN 97 7.137 -3.044 3.075 738 1HD2 ASN 97 1HD2 ASN 97 9.105 -2.567 0.352 739 2HD2 ASN 97 2HD2 ASN 97 8.375 -3.741 -0.732 740 H LYS 98 H LYS 98 5.084 -2.136 4.150 741 HA LYS 98 HA LYS 98 2.452 -1.837 3.151 742 1HB LYS 98 2HB LYS 98 1.633 -4.143 3.287 743 2HB LYS 98 3HB LYS 98 2.655 -3.857 1.898 744 1HG LYS 98 2HG LYS 98 4.176 -5.365 2.526 745 2HG LYS 98 3HG LYS 98 4.264 -4.833 4.188 746 1HD LYS 98 2HD LYS 98 1.993 -6.569 3.124 747 2HD LYS 98 3HD LYS 98 3.498 -7.205 3.792 748 1HE LYS 98 2HE LYS 98 1.955 -7.436 5.537 749 2HE LYS 98 3HE LYS 98 2.947 -6.072 5.982 750 1HZ LYS 98 1HZ LYS 98 1.194 -4.627 5.469 751 2HZ LYS 98 2HZ LYS 98 0.232 -5.809 4.739 752 3HZ LYS 98 3HZ LYS 98 0.533 -5.812 6.346 753 H ILE 99 H ILE 99 2.734 -0.555 5.200 754 HA ILE 99 HA ILE 99 2.446 -2.112 7.681 755 HB ILE 99 HB ILE 99 1.672 0.735 6.964 756 1HG1 ILE 99 2HG1 ILE 99 3.794 -0.466 8.815 757 2HG1 ILE 99 3HG1 ILE 99 4.116 0.068 7.162 758 1HG2 ILE 99 1HG2 ILE 99 1.506 -0.679 9.675 759 2HG2 ILE 99 2HG2 ILE 99 1.158 1.033 9.367 760 3HG2 ILE 99 3HG2 ILE 99 0.100 -0.194 8.714 761 1HD1 ILE 99 1HD1 ILE 99 3.576 2.345 7.690 762 2HD1 ILE 99 2HD1 ILE 99 3.125 1.925 9.355 763 3HD1 ILE 99 3HD1 ILE 99 4.796 1.723 8.823 764 H GLU 100 H GLU 100 -0.132 -0.162 6.218 765 HA GLU 100 HA GLU 100 -1.761 -2.627 5.821 766 1HB GLU 100 2HB GLU 100 -2.464 -0.035 7.223 767 2HB GLU 100 3HB GLU 100 -3.735 -0.901 6.329 768 1HG GLU 100 2HG GLU 100 -2.026 -2.240 8.446 769 2HG GLU 100 3HG GLU 100 -3.606 -1.504 8.746 770 H GLY 101 H GLY 101 -2.996 0.511 4.966 771 1HA GLY 101 2HA GLY 101 -3.265 -0.478 2.271 772 2HA GLY 101 3HA GLY 101 -3.914 1.039 2.945 773 H VAL 102 H VAL 102 -0.668 -0.336 2.459 774 HA VAL 102 HA VAL 102 0.194 2.129 1.010 775 HB VAL 102 HB VAL 102 1.963 0.209 2.535 776 1HG1 VAL 102 1HG1 VAL 102 3.209 1.327 0.877 777 2HG1 VAL 102 2HG1 VAL 102 2.345 2.859 1.100 778 3HG1 VAL 102 3HG1 VAL 102 3.474 2.320 2.324 779 1HG2 VAL 102 1HG2 VAL 102 0.475 1.312 4.158 780 2HG2 VAL 102 2HG2 VAL 102 2.125 1.934 4.275 781 3HG2 VAL 102 3HG2 VAL 102 0.875 2.893 3.463 782 H ALA 103 H ALA 103 0.377 1.806 -1.101 783 HA ALA 103 HA ALA 103 0.228 -0.865 -2.236 784 1HB ALA 103 1HB ALA 103 -0.884 0.946 -3.388 785 2HB ALA 103 2HB ALA 103 0.637 1.858 -3.528 786 3HB ALA 103 3HB ALA 103 0.432 0.327 -4.401 787 H ASN 104 H ASN 104 2.663 1.756 -1.887 788 HA ASN 104 HA ASN 104 4.865 -0.163 -1.970 789 1HB ASN 104 2HB ASN 104 4.782 2.105 -4.019 790 2HB ASN 104 3HB ASN 104 6.120 0.997 -3.739 791 1HD2 ASN 104 1HD2 ASN 104 3.401 1.599 -5.663 792 2HD2 ASN 104 2HD2 ASN 104 3.286 -0.028 -6.348 793 H ALA 105 H ALA 105 6.954 1.098 -1.627 794 HA ALA 105 HA ALA 105 6.680 3.793 -0.628 795 1HB ALA 105 1HB ALA 105 7.269 3.423 1.699 796 2HB ALA 105 2HB ALA 105 5.751 2.600 1.311 797 3HB ALA 105 3HB ALA 105 7.256 1.665 1.445 798 HA PRO 106 HA PRO 106 10.979 2.386 -1.829 799 1HB PRO 106 2HB PRO 106 11.497 4.060 -3.943 800 2HB PRO 106 3HB PRO 106 10.667 2.484 -4.090 801 1HG PRO 106 2HG PRO 106 9.427 5.221 -3.894 802 2HG PRO 106 3HG PRO 106 9.022 3.930 -5.056 803 1HD PRO 106 2HD PRO 106 7.527 4.327 -2.813 804 2HD PRO 106 3HD PRO 106 7.868 2.680 -3.405 805 H VAL 107 H VAL 107 12.697 3.222 -0.842 806 HA VAL 107 HA VAL 107 12.614 5.957 0.289 807 HB VAL 107 HB VAL 107 14.268 5.152 1.869 808 1HG1 VAL 107 1HG1 VAL 107 11.896 3.238 1.709 809 2HG1 VAL 107 2HG1 VAL 107 12.861 3.636 3.146 810 3HG1 VAL 107 3HG1 VAL 107 11.865 4.875 2.385 811 1HG2 VAL 107 1HG2 VAL 107 15.473 3.449 0.548 812 2HG2 VAL 107 2HG2 VAL 107 14.861 2.764 2.054 813 3HG2 VAL 107 3HG2 VAL 107 14.028 2.414 0.533 814 H ASN 108 H ASN 108 14.360 7.405 -0.011 815 HA ASN 108 HA ASN 108 16.414 6.622 -2.045 816 1HB ASN 108 2HB ASN 108 15.088 9.287 -1.461 817 2HB ASN 108 3HB ASN 108 16.548 9.090 -2.440 818 1HD2 ASN 108 1HD2 ASN 108 14.861 10.317 -3.941 819 2HD2 ASN 108 2HD2 ASN 108 13.977 9.239 -5.003 820 H PHE 109 H PHE 109 18.457 7.442 -1.695 821 HA PHE 109 HA PHE 109 19.162 8.311 1.078 822 1HB PHE 109 2HB PHE 109 19.757 5.927 -0.359 823 2HB PHE 109 3HB PHE 109 21.216 6.868 -0.431 824 HD1 PHE 109 1HD PHE 109 21.937 7.984 1.916 825 HD2 PHE 109 2HD PHE 109 19.332 4.566 1.524 826 HE1 PHE 109 1HE PHE 109 22.281 7.443 4.302 827 HE2 PHE 109 2HE PHE 109 19.722 3.998 3.882 828 HZ PHE 109 HZ PHE 109 21.203 5.438 5.300 829 H ALA 110 H ALA 110 18.577 9.774 -1.317 830 HA ALA 110 HA ALA 110 21.157 11.242 -1.818 831 1HB ALA 110 1HB ALA 110 20.681 9.802 -3.762 832 2HB ALA 110 2HB ALA 110 19.072 10.543 -3.929 833 3HB ALA 110 3HB ALA 110 20.536 11.523 -4.174 834 H LEU 111 H LEU 111 17.597 11.380 -1.722 835 HA LEU 111 HA LEU 111 17.641 14.336 -1.498 836 1HB LEU 111 2HB LEU 111 15.285 12.451 -1.521 837 2HB LEU 111 3HB LEU 111 15.290 14.181 -1.873 838 HG LEU 111 HG LEU 111 16.347 11.873 -3.575 839 1HD1 LEU 111 1HD1 LEU 111 13.887 12.200 -3.526 840 2HD1 LEU 111 2HD1 LEU 111 14.105 13.876 -4.059 841 3HD1 LEU 111 3HD1 LEU 111 14.576 12.537 -5.127 842 1HD2 LEU 111 1HD2 LEU 111 17.847 13.840 -3.910 843 2HD2 LEU 111 2HD2 LEU 111 16.818 13.602 -5.327 844 3HD2 LEU 111 3HD2 LEU 111 16.432 14.883 -4.158 845 H GLU 112 H GLU 112 17.960 11.638 0.518 846 HA GLU 112 HA GLU 112 17.191 10.823 2.416 847 1HB GLU 112 2HB GLU 112 17.573 13.796 2.921 848 2HB GLU 112 3HB GLU 112 17.283 12.661 4.220 849 1HG GLU 112 2HG GLU 112 19.659 12.877 3.962 850 2HG GLU 112 3HG GLU 112 19.247 11.261 3.383 851 H THR 113 H THR 113 15.226 10.431 1.013 852 HA THR 113 HA THR 113 12.762 11.372 2.403 853 HB THR 113 HB THR 113 11.621 11.792 0.308 854 HG1 THR 113 1HG THR 113 14.086 11.003 -0.823 855 1HG2 THR 113 1HG2 THR 113 14.309 13.192 0.331 856 2HG2 THR 113 2HG2 THR 113 12.908 13.725 -0.553 857 3HG2 THR 113 3HG2 THR 113 12.916 13.691 1.248 858 H VAL 114 H VAL 114 10.888 10.120 1.965 859 HA VAL 114 HA VAL 114 11.249 7.581 0.517 860 HB VAL 114 HB VAL 114 11.113 6.901 2.834 861 1HG1 VAL 114 1HG1 VAL 114 9.275 7.394 4.317 862 2HG1 VAL 114 2HG1 VAL 114 10.009 8.923 3.813 863 3HG1 VAL 114 3HG1 VAL 114 8.474 8.390 3.093 864 1HG2 VAL 114 1HG2 VAL 114 8.378 6.421 1.625 865 2HG2 VAL 114 2HG2 VAL 114 9.859 5.621 1.057 866 3HG2 VAL 114 3HG2 VAL 114 9.301 5.374 2.708 867 H THR 115 H THR 115 9.802 7.325 -1.067 868 HA THR 115 HA THR 115 7.473 9.199 -1.241 869 HB THR 115 HB THR 115 8.412 6.986 -3.099 870 HG1 THR 115 1HG THR 115 8.701 9.801 -3.214 871 1HG2 THR 115 1HG2 THR 115 6.814 8.020 -4.692 872 2HG2 THR 115 2HG2 THR 115 5.990 7.370 -3.268 873 3HG2 THR 115 3HG2 THR 115 6.256 9.122 -3.411 874 H VAL 116 H VAL 116 5.720 8.473 -0.086 875 HA VAL 116 HA VAL 116 5.425 5.523 0.370 876 HB VAL 116 HB VAL 116 5.677 6.720 2.435 877 1HG1 VAL 116 1HG1 VAL 116 4.003 8.223 3.317 878 2HG1 VAL 116 2HG1 VAL 116 4.751 8.946 1.892 879 3HG1 VAL 116 3HG1 VAL 116 3.120 8.236 1.793 880 1HG2 VAL 116 1HG2 VAL 116 2.863 5.689 1.975 881 2HG2 VAL 116 2HG2 VAL 116 4.294 4.697 2.326 882 3HG2 VAL 116 3HG2 VAL 116 3.674 5.826 3.542 883 H GLU 117 H GLU 117 4.091 4.624 -1.064 884 HA GLU 117 HA GLU 117 2.004 6.274 -2.421 885 1HB GLU 117 2HB GLU 117 3.729 3.952 -3.156 886 2HB GLU 117 3HB GLU 117 2.023 3.732 -3.552 887 1HG GLU 117 2HG GLU 117 1.993 5.820 -4.802 888 2HG GLU 117 3HG GLU 117 3.721 6.071 -4.420 889 H TYR 118 H TYR 118 0.338 6.335 -0.935 890 HA TYR 118 HA TYR 118 -0.745 3.720 -0.109 891 1HB TYR 118 2HB TYR 118 -0.605 4.034 2.185 892 2HB TYR 118 3HB TYR 118 0.975 4.567 1.657 893 HD1 TYR 118 HD1 TYR 118 -1.723 5.265 3.762 894 HD2 TYR 118 HD2 TYR 118 0.973 7.283 1.069 895 HE1 TYR 118 HE1 TYR 118 -2.117 7.388 4.953 896 HE2 TYR 118 HE2 TYR 118 0.552 9.403 2.224 897 HH TYR 118 HH TYR 118 -0.671 10.471 3.897 898 H ASN 119 H ASN 119 -2.688 3.987 1.225 899 HA ASN 119 HA ASN 119 -4.520 5.649 -0.387 900 1HB ASN 119 2HB ASN 119 -4.429 3.092 -0.224 901 2HB ASN 119 3HB ASN 119 -5.121 3.257 1.382 902 1HD2 ASN 119 1HD2 ASN 119 -5.675 3.283 -2.058 903 2HD2 ASN 119 2HD2 ASN 119 -7.428 3.365 -1.968 904 HA PRO 120 HA PRO 120 -4.285 7.774 3.639 905 1HB PRO 120 2HB PRO 120 -4.888 10.328 2.944 906 2HB PRO 120 3HB PRO 120 -3.395 9.536 2.384 907 1HG PRO 120 2HG PRO 120 -6.026 9.704 0.871 908 2HG PRO 120 3HG PRO 120 -4.415 10.241 0.307 909 1HD PRO 120 2HD PRO 120 -5.356 7.792 -0.318 910 2HD PRO 120 3HD PRO 120 -3.641 8.035 0.121 911 H LYS 121 H LYS 121 -6.732 6.277 2.714 912 HA LYS 121 HA LYS 121 -8.851 7.782 4.181 913 1HB LYS 121 2HB LYS 121 -9.205 5.538 2.165 914 2HB LYS 121 3HB LYS 121 -10.447 6.589 2.863 915 1HG LYS 121 2HG LYS 121 -8.222 7.399 0.917 916 2HG LYS 121 3HG LYS 121 -9.919 7.197 0.554 917 1HD LYS 121 2HD LYS 121 -10.472 9.053 2.174 918 2HD LYS 121 3HD LYS 121 -8.734 9.296 2.411 919 1HE LYS 121 2HE LYS 121 -8.570 9.584 -0.159 920 2HE LYS 121 3HE LYS 121 -10.337 9.715 -0.140 921 1HZ LYS 121 1HZ LYS 121 -10.060 11.593 1.384 922 2HZ LYS 121 2HZ LYS 121 -8.421 11.447 1.288 923 3HZ LYS 121 3HZ LYS 121 -9.284 11.853 -0.046 924 H GLU 122 H GLU 122 -7.413 4.525 3.502 925 HA GLU 122 HA GLU 122 -8.497 3.329 5.891 926 1HB GLU 122 2HB GLU 122 -6.055 2.599 4.206 927 2HB GLU 122 3HB GLU 122 -6.716 1.636 5.536 928 1HG GLU 122 2HG GLU 122 -7.943 2.100 2.807 929 2HG GLU 122 3HG GLU 122 -7.406 0.621 3.563 930 H ALA 123 H ALA 123 -5.298 4.813 5.104 931 HA ALA 123 HA ALA 123 -4.683 4.932 8.041 932 1HB ALA 123 1HB ALA 123 -2.338 4.574 7.455 933 2HB ALA 123 2HB ALA 123 -3.328 3.239 6.851 934 3HB ALA 123 3HB ALA 123 -2.757 4.492 5.730 935 H SER 124 H SER 124 -2.584 6.588 8.122 936 HA SER 124 HA SER 124 -3.014 8.976 6.511 937 1HB SER 124 2HB SER 124 -3.622 10.421 8.413 938 2HB SER 124 3HB SER 124 -4.858 9.184 8.155 939 HG SER 124 HG SER 124 -3.921 7.986 9.851 940 H VAL 125 H VAL 125 -1.503 10.721 7.248 941 HA VAL 125 HA VAL 125 1.135 9.922 7.471 942 HB VAL 125 HB VAL 125 0.142 12.504 8.723 943 1HG1 VAL 125 1HG1 VAL 125 2.611 11.967 7.022 944 2HG1 VAL 125 2HG1 VAL 125 2.272 13.349 8.081 945 3HG1 VAL 125 3HG1 VAL 125 2.618 11.783 8.779 946 1HG2 VAL 125 1HG2 VAL 125 0.436 13.475 6.372 947 2HG2 VAL 125 2HG2 VAL 125 0.337 11.805 5.774 948 3HG2 VAL 125 3HG2 VAL 125 -1.033 12.537 6.635 949 H SER 126 H SER 126 -1.121 10.676 10.178 950 HA SER 126 HA SER 126 0.739 10.539 12.259 951 1HB SER 126 2HB SER 126 -2.197 9.727 12.239 952 2HB SER 126 3HB SER 126 -1.217 10.054 13.688 953 HG SER 126 HG SER 126 -2.389 11.922 12.918 954 H ASP 127 H ASP 127 -0.982 7.818 10.651 955 HA ASP 127 HA ASP 127 -0.139 5.760 12.487 956 1HB ASP 127 2HB ASP 127 -1.969 5.346 10.952 957 2HB ASP 127 3HB ASP 127 -0.962 5.741 9.547 958 H LEU 128 H LEU 128 1.081 6.998 9.427 959 HA LEU 128 HA LEU 128 3.303 5.285 9.098 960 1HB LEU 128 2HB LEU 128 2.815 8.098 8.115 961 2HB LEU 128 3HB LEU 128 4.108 7.057 7.535 962 HG LEU 128 HG LEU 128 1.148 6.263 7.415 963 1HD1 LEU 128 1HD1 LEU 128 1.338 6.831 4.995 964 2HD1 LEU 128 2HD1 LEU 128 1.451 8.241 6.063 965 3HD1 LEU 128 3HD1 LEU 128 2.930 7.547 5.342 966 1HD2 LEU 128 1HD2 LEU 128 3.595 5.244 5.921 967 2HD2 LEU 128 2HD2 LEU 128 2.759 4.358 7.222 968 3HD2 LEU 128 3HD2 LEU 128 1.934 4.663 5.696 969 H LYS 129 H LYS 129 3.098 8.531 10.568 970 HA LYS 129 HA LYS 129 5.816 8.679 11.460 971 1HB LYS 129 2HB LYS 129 3.255 9.918 12.526 972 2HB LYS 129 3HB LYS 129 4.858 10.261 13.195 973 1HG LYS 129 2HG LYS 129 5.563 10.752 10.751 974 2HG LYS 129 3HG LYS 129 3.861 10.890 10.387 975 1HD LYS 129 2HD LYS 129 5.375 12.520 12.514 976 2HD LYS 129 3HD LYS 129 5.206 13.013 10.839 977 1HE LYS 129 2HE LYS 129 3.581 14.215 12.126 978 2HE LYS 129 3HE LYS 129 2.748 13.105 11.032 979 1HZ LYS 129 1HZ LYS 129 2.441 11.616 12.883 980 2HZ LYS 129 2HZ LYS 129 3.243 12.621 13.903 981 3HZ LYS 129 3HZ LYS 129 1.805 13.086 13.242 982 H GLU 130 H GLU 130 2.870 7.430 13.146 983 HA GLU 130 HA GLU 130 4.104 6.758 15.555 984 1HB GLU 130 2HB GLU 130 1.591 6.588 14.577 985 2HB GLU 130 3HB GLU 130 2.003 4.884 14.467 986 1HG GLU 130 2HG GLU 130 2.296 6.611 16.987 987 2HG GLU 130 3HG GLU 130 0.819 5.750 16.554 988 H ALA 131 H ALA 131 3.897 4.855 12.532 989 HA ALA 131 HA ALA 131 5.237 2.534 13.520 990 1HB ALA 131 1HB ALA 131 5.582 1.981 11.167 991 2HB ALA 131 2HB ALA 131 3.935 2.587 11.449 992 3HB ALA 131 3HB ALA 131 5.149 3.633 10.681 993 H VAL 132 H VAL 132 6.575 5.454 11.805 994 HA VAL 132 HA VAL 132 9.248 4.388 11.863 995 HB VAL 132 HB VAL 132 8.165 7.154 11.263 996 1HG1 VAL 132 1HG1 VAL 132 10.452 7.443 12.030 997 2HG1 VAL 132 2HG1 VAL 132 10.995 6.036 11.088 998 3HG1 VAL 132 3HG1 VAL 132 10.478 7.522 10.267 999 1HG2 VAL 132 1HG2 VAL 132 7.549 5.424 9.618 1000 2HG2 VAL 132 2HG2 VAL 132 8.838 6.419 8.928 1001 3HG2 VAL 132 3HG2 VAL 132 9.215 4.822 9.574 1002 H ASP 133 H ASP 133 7.329 6.325 14.115 1003 HA ASP 133 HA ASP 133 9.396 7.054 15.860 1004 1HB ASP 133 2HB ASP 133 6.406 6.766 16.035 1005 2HB ASP 133 3HB ASP 133 7.309 6.759 17.538 1006 H LYS 134 H LYS 134 7.243 4.132 15.800 1007 HA LYS 134 HA LYS 134 8.597 2.686 17.830 1008 1HB LYS 134 2HB LYS 134 6.906 1.882 15.479 1009 2HB LYS 134 3HB LYS 134 8.058 0.685 16.049 1010 1HG LYS 134 2HG LYS 134 6.275 0.105 17.268 1011 2HG LYS 134 3HG LYS 134 7.099 1.144 18.431 1012 1HD LYS 134 2HD LYS 134 5.551 3.027 17.780 1013 2HD LYS 134 3HD LYS 134 4.804 1.968 16.579 1014 1HE LYS 134 2HE LYS 134 4.258 0.329 18.458 1015 2HE LYS 134 3HE LYS 134 4.793 1.565 19.614 1016 1HZ LYS 134 1HZ LYS 134 2.728 2.142 17.591 1017 2HZ LYS 134 2HZ LYS 134 2.327 1.505 19.079 1018 3HZ LYS 134 3HZ LYS 134 3.047 2.983 18.873 1019 H LEU 135 H LEU 135 9.483 2.956 14.355 1020 HA LEU 135 HA LEU 135 11.777 1.216 14.619 1021 1HB LEU 135 2HB LEU 135 11.032 3.319 12.578 1022 2HB LEU 135 3HB LEU 135 12.591 2.530 12.543 1023 HG LEU 135 HG LEU 135 11.068 1.504 10.985 1024 1HD1 LEU 135 1HD1 LEU 135 12.894 0.190 12.102 1025 2HD1 LEU 135 2HD1 LEU 135 11.631 -0.549 13.115 1026 3HD1 LEU 135 3HD1 LEU 135 11.565 -0.716 11.341 1027 1HD2 LEU 135 1HD2 LEU 135 9.300 -0.019 11.816 1028 2HD2 LEU 135 2HD2 LEU 135 9.356 0.761 13.382 1029 3HD2 LEU 135 3HD2 LEU 135 8.919 1.700 11.920 1030 H GLY 136 H GLY 136 11.285 4.480 15.703 1031 1HA GLY 136 2HA GLY 136 12.617 5.465 17.299 1032 2HA GLY 136 3HA GLY 136 13.995 4.455 16.853 1033 H TYR 137 H TYR 137 12.043 6.315 14.508 1034 HA TYR 137 HA TYR 137 14.159 8.410 14.299 1035 1HB TYR 137 2HB TYR 137 12.916 7.037 11.901 1036 2HB TYR 137 3HB TYR 137 14.217 8.205 11.896 1037 HD1 TYR 137 HD1 TYR 137 16.327 7.391 13.497 1038 HD2 TYR 137 HD2 TYR 137 13.442 4.785 11.641 1039 HE1 TYR 137 HE1 TYR 137 17.753 5.441 14.013 1040 HE2 TYR 137 HE2 TYR 137 14.876 2.839 12.161 1041 HH TYR 137 HH TYR 137 16.502 2.138 13.653 1042 H LYS 138 H LYS 138 12.951 9.975 12.309 1043 HA LYS 138 HA LYS 138 10.079 9.874 12.790 1044 1HB LYS 138 2HB LYS 138 9.678 12.109 13.316 1045 2HB LYS 138 3HB LYS 138 10.683 11.403 14.563 1046 1HG LYS 138 2HG LYS 138 11.707 13.171 12.283 1047 2HG LYS 138 3HG LYS 138 11.190 13.810 13.818 1048 1HD LYS 138 2HD LYS 138 13.464 11.800 13.530 1049 2HD LYS 138 3HD LYS 138 13.637 13.545 13.559 1050 1HE LYS 138 2HE LYS 138 12.727 13.693 15.813 1051 2HE LYS 138 3HE LYS 138 12.402 11.950 15.850 1052 1HZ LYS 138 1HZ LYS 138 14.436 12.510 16.969 1053 2HZ LYS 138 2HZ LYS 138 14.734 11.543 15.671 1054 3HZ LYS 138 3HZ LYS 138 15.069 13.154 15.591 1055 H LEU 139 H LEU 139 8.825 10.894 11.258 1056 HA LEU 139 HA LEU 139 10.164 11.358 8.642 1057 1HB LEU 139 2HB LEU 139 7.313 10.684 9.386 1058 2HB LEU 139 3HB LEU 139 7.797 11.224 7.778 1059 HG LEU 139 HG LEU 139 8.871 8.734 9.154 1060 1HD1 LEU 139 1HD1 LEU 139 6.792 9.165 6.984 1061 2HD1 LEU 139 2HD1 LEU 139 7.413 7.573 7.470 1062 3HD1 LEU 139 3HD1 LEU 139 6.488 8.555 8.627 1063 1HD2 LEU 139 1HD2 LEU 139 9.638 8.194 6.797 1064 2HD2 LEU 139 2HD2 LEU 139 9.206 9.852 6.325 1065 3HD2 LEU 139 3HD2 LEU 139 10.491 9.562 7.512 1066 H LYS 140 H LYS 140 9.912 13.217 7.644 1067 HA LYS 140 HA LYS 140 8.193 15.375 8.795 1068 1HB LYS 140 2HB LYS 140 10.970 15.436 7.622 1069 2HB LYS 140 3HB LYS 140 9.824 16.604 6.971 1070 1HG LYS 140 2HG LYS 140 9.288 17.214 9.435 1071 2HG LYS 140 3HG LYS 140 10.794 16.346 9.835 1072 1HD LYS 140 2HD LYS 140 12.051 17.769 8.298 1073 2HD LYS 140 3HD LYS 140 10.548 18.509 7.695 1074 1HE LYS 140 2HE LYS 140 10.172 19.218 10.207 1075 2HE LYS 140 3HE LYS 140 11.924 18.969 10.346 1076 1HZ LYS 140 1HZ LYS 140 11.340 21.244 9.740 1077 2HZ LYS 140 2HZ LYS 140 12.122 20.548 8.463 1078 3HZ LYS 140 3HZ LYS 140 10.487 20.730 8.440 1079 H LEU 141 H LEU 141 7.337 16.750 6.937 1080 HA LEU 141 HA LEU 141 6.616 15.001 4.621 1081 1HB LEU 141 2HB LEU 141 4.970 17.258 5.768 1082 2HB LEU 141 3HB LEU 141 4.570 16.094 4.498 1083 HG LEU 141 HG LEU 141 4.507 14.259 6.191 1084 1HD1 LEU 141 1HD1 LEU 141 5.705 14.940 8.120 1085 2HD1 LEU 141 2HD1 LEU 141 4.990 16.564 8.121 1086 3HD1 LEU 141 3HD1 LEU 141 4.033 15.152 8.599 1087 1HD2 LEU 141 1HD2 LEU 141 2.490 15.213 5.384 1088 2HD2 LEU 141 2HD2 LEU 141 2.281 15.252 7.140 1089 3HD2 LEU 141 3HD2 LEU 141 2.737 16.718 6.286 1090 H LYS 142 H LYS 142 7.047 15.940 2.557 1091 HA LYS 142 HA LYS 142 8.738 18.330 2.673 1092 1HB LYS 142 2HB LYS 142 7.885 16.486 0.419 1093 2HB LYS 142 3HB LYS 142 8.841 17.972 0.214 1094 1HG LYS 142 2HG LYS 142 10.511 17.138 1.876 1095 2HG LYS 142 3HG LYS 142 9.589 15.643 2.040 1096 1HD LYS 142 2HD LYS 142 11.632 15.476 0.705 1097 2HD LYS 142 3HD LYS 142 10.211 14.912 -0.170 1098 1HE LYS 142 2HE LYS 142 11.299 17.750 -0.509 1099 2HE LYS 142 3HE LYS 142 12.013 16.384 -1.375 1100 1HZ LYS 142 1HZ LYS 142 9.923 15.905 -2.387 1101 2HZ LYS 142 2HZ LYS 142 9.170 17.103 -1.590 1102 3HZ LYS 142 3HZ LYS 142 10.333 17.451 -2.705 1103 H GLY 143 H GLY 143 7.388 19.913 3.339 1104 1HA GLY 143 2HA GLY 143 6.440 21.963 2.642 1105 2HA GLY 143 3HA GLY 143 5.919 21.239 1.110 1106 H GLU 144 H GLU 144 4.572 19.037 1.918 1107 HA GLU 144 HA GLU 144 2.019 19.750 2.487 1108 1HB GLU 144 2HB GLU 144 2.592 17.607 1.616 1109 2HB GLU 144 3HB GLU 144 3.504 17.186 3.054 1110 1HG GLU 144 2HG GLU 144 1.457 15.934 3.042 1111 2HG GLU 144 3HG GLU 144 1.340 17.108 4.355 1112 H GLN 145 H GLN 145 4.451 19.433 4.964 1113 HA GLN 145 HA GLN 145 2.640 21.035 6.661 1114 1HB GLN 145 2HB GLN 145 3.886 18.433 7.547 1115 2HB GLN 145 3HB GLN 145 3.580 19.739 8.681 1116 1HG GLN 145 2HG GLN 145 1.199 19.803 8.040 1117 2HG GLN 145 3HG GLN 145 1.435 18.400 6.993 1118 1HE2 GLN 145 1HE2 GLN 145 -0.433 18.414 9.108 1119 2HE2 GLN 145 2HE2 GLN 145 0.122 17.291 10.338 1120 H ASP 146 H ASP 146 5.123 21.314 5.016 1121 HA ASP 146 HA ASP 146 6.799 22.707 7.062 1122 1HB ASP 146 2HB ASP 146 7.645 20.478 5.631 1123 2HB ASP 146 3HB ASP 146 8.275 21.809 4.655 1124 H SER 147 H SER 147 4.705 23.178 4.605 1125 HA SER 147 HA SER 147 5.498 25.958 4.282 1126 1HB SER 147 2HB SER 147 7.050 24.833 2.660 1127 2HB SER 147 3HB SER 147 5.634 24.129 1.846 1128 HG SER 147 HG SER 147 4.919 26.311 1.531 1129 H ILE 148 H ILE 148 3.133 24.478 5.233 1130 HA ILE 148 HA ILE 148 1.085 24.852 3.168 1131 HB ILE 148 HB ILE 148 0.931 24.253 6.138 1132 1HG1 ILE 148 2HG1 ILE 148 1.798 22.414 4.786 1133 2HG1 ILE 148 3HG1 ILE 148 0.201 22.055 5.439 1134 1HG2 ILE 148 1HG2 ILE 148 -1.335 24.602 4.139 1135 2HG2 ILE 148 2HG2 ILE 148 -1.495 23.706 5.666 1136 3HG2 ILE 148 3HG2 ILE 148 -1.106 25.425 5.689 1137 1HD1 ILE 148 1HD1 ILE 148 -0.783 22.652 3.161 1138 2HD1 ILE 148 2HD1 ILE 148 0.887 22.747 2.550 1139 3HD1 ILE 148 3HD1 ILE 148 0.252 21.232 3.185 1140 H GLU 149 H GLU 149 1.540 26.492 6.344 1141 HA GLU 149 HA GLU 149 0.153 28.865 5.212 1142 1HB GLU 149 2HB GLU 149 -0.292 27.494 7.560 1143 2HB GLU 149 3HB GLU 149 0.770 28.767 8.136 1144 1HG GLU 149 2HG GLU 149 -1.551 29.613 6.378 1145 2HG GLU 149 3HG GLU 149 -1.945 28.905 7.936 1146 H GLY 150 H GLY 150 1.091 30.906 6.487 1147 1HA GLY 150 2HA GLY 150 3.979 31.142 5.758 1148 2HA GLY 150 3HA GLY 150 2.819 32.456 6.018 1149 H ARG 151 H ARG 151 1.566 31.457 8.381 1150 HA ARG 151 HA ARG 151 3.666 32.049 10.409 1151 1HB ARG 151 2HB ARG 151 0.630 31.894 10.568 1152 2HB ARG 151 3HB ARG 151 1.723 32.278 11.907 1153 1HG ARG 151 2HG ARG 151 2.596 34.242 10.558 1154 2HG ARG 151 3HG ARG 151 1.392 33.867 9.314 1155 1HD ARG 151 2HD ARG 151 0.575 35.655 10.709 1156 2HD ARG 151 3HD ARG 151 -0.426 34.196 10.943 1157 HE ARG 151 HE ARG 151 1.581 34.090 12.891 1158 1HH1 ARG 151 2HH2 ARG 151 -1.094 36.210 12.075 1159 2HH1 ARG 151 1HH2 ARG 151 -1.360 36.806 13.687 1160 1HH2 ARG 151 2HH1 ARG 151 1.254 34.799 15.069 1161 2HH2 ARG 151 1HH1 ARG 151 0.019 35.956 15.445 Start of MODEL 20 1 1H MET 1 H1 MET 1 4.740 -25.317 2.957 2 2H MET 1 H2 MET 1 4.778 -26.789 2.191 3 3H MET 1 H3 MET 1 3.496 -25.760 1.994 4 HA MET 1 HA MET 1 2.837 -27.498 3.433 5 1HB MET 1 2HB MET 1 5.253 -26.566 5.041 6 2HB MET 1 3HB MET 1 3.889 -27.429 5.775 7 1HG MET 1 2HG MET 1 4.218 -29.330 4.279 8 2HG MET 1 3HG MET 1 5.619 -28.531 3.538 9 1HE MET 1 1HE MET 1 7.137 -31.492 5.664 10 2HE MET 1 2HE MET 1 5.556 -31.504 4.850 11 3HE MET 1 3HE MET 1 6.978 -30.799 4.033 12 H LEU 2 H LEU 2 3.884 -25.155 5.826 13 HA LEU 2 HA LEU 2 1.285 -23.864 5.943 14 1HB LEU 2 2HB LEU 2 3.824 -23.891 7.449 15 2HB LEU 2 3HB LEU 2 3.207 -22.259 7.288 16 HG LEU 2 HG LEU 2 1.334 -24.494 8.136 17 1HD1 LEU 2 1HD1 LEU 2 3.243 -24.710 9.628 18 2HD1 LEU 2 2HD1 LEU 2 3.233 -22.960 9.953 19 3HD1 LEU 2 3HD1 LEU 2 1.879 -23.980 10.490 20 1HD2 LEU 2 1HD2 LEU 2 0.206 -22.611 9.295 21 2HD2 LEU 2 2HD2 LEU 2 1.475 -21.498 8.750 22 3HD2 LEU 2 3HD2 LEU 2 0.382 -22.254 7.570 23 H SER 3 H SER 3 1.396 -21.323 5.939 24 HA SER 3 HA SER 3 2.896 -20.105 3.784 25 1HB SER 3 2HB SER 3 1.167 -21.240 2.453 26 2HB SER 3 3HB SER 3 -0.092 -20.715 3.589 27 HG SER 3 HG SER 3 1.428 -19.016 1.879 28 H GLU 4 H GLU 4 2.908 -17.892 4.216 29 HA GLU 4 HA GLU 4 1.357 -16.898 6.583 30 1HB GLU 4 2HB GLU 4 4.292 -16.622 5.856 31 2HB GLU 4 3HB GLU 4 3.494 -15.556 7.018 32 1HG GLU 4 2HG GLU 4 3.064 -17.275 8.554 33 2HG GLU 4 3HG GLU 4 3.234 -18.561 7.355 34 H GLN 5 H GLN 5 0.091 -16.650 4.458 35 HA GLN 5 HA GLN 5 0.502 -14.517 2.682 36 1HB GLN 5 2HB GLN 5 -2.147 -15.433 3.908 37 2HB GLN 5 3HB GLN 5 -1.936 -14.576 2.374 38 1HG GLN 5 2HG GLN 5 -0.971 -17.419 2.986 39 2HG GLN 5 3HG GLN 5 -2.364 -16.969 2.060 40 1HE2 GLN 5 1HE2 GLN 5 -2.080 -16.380 -0.118 41 2HE2 GLN 5 2HE2 GLN 5 -0.534 -16.217 -0.926 42 H LYS 6 H LYS 6 -0.043 -12.393 2.717 43 HA LYS 6 HA LYS 6 -0.457 -11.092 5.396 44 1HB LYS 6 2HB LYS 6 0.192 -9.056 4.303 45 2HB LYS 6 3HB LYS 6 1.361 -10.300 3.834 46 1HG LYS 6 2HG LYS 6 -0.356 -10.645 1.783 47 2HG LYS 6 3HG LYS 6 -0.891 -9.034 2.187 48 1HD LYS 6 2HD LYS 6 1.937 -9.988 1.622 49 2HD LYS 6 3HD LYS 6 0.882 -9.292 0.408 50 1HE LYS 6 2HE LYS 6 1.953 -7.877 2.870 51 2HE LYS 6 3HE LYS 6 2.467 -7.643 1.185 52 1HZ LYS 6 1HZ LYS 6 0.238 -6.872 0.673 53 2HZ LYS 6 2HZ LYS 6 -0.223 -7.029 2.262 54 3HZ LYS 6 3HZ LYS 6 0.906 -5.919 1.843 55 H GLU 7 H GLU 7 -2.282 -9.678 5.649 56 HA GLU 7 HA GLU 7 -4.262 -9.528 3.457 57 1HB GLU 7 2HB GLU 7 -4.313 -8.029 6.090 58 2HB GLU 7 3HB GLU 7 -5.652 -8.500 5.035 59 1HG GLU 7 2HG GLU 7 -5.918 -10.060 6.692 60 2HG GLU 7 3HG GLU 7 -4.793 -10.984 5.698 61 H ILE 8 H ILE 8 -4.631 -7.501 2.378 62 HA ILE 8 HA ILE 8 -3.536 -5.107 3.723 63 HB ILE 8 HB ILE 8 -1.879 -5.103 2.131 64 1HG1 ILE 8 2HG1 ILE 8 -3.495 -3.076 1.835 65 2HG1 ILE 8 3HG1 ILE 8 -2.164 -3.394 0.732 66 1HG2 ILE 8 1HG2 ILE 8 -2.350 -7.116 0.950 67 2HG2 ILE 8 2HG2 ILE 8 -3.774 -6.394 0.166 68 3HG2 ILE 8 3HG2 ILE 8 -2.136 -5.797 -0.210 69 1HD1 ILE 8 1HD1 ILE 8 -3.624 -4.294 -0.985 70 2HD1 ILE 8 2HD1 ILE 8 -5.040 -4.151 0.072 71 3HD1 ILE 8 3HD1 ILE 8 -4.192 -2.713 -0.486 72 H ALA 9 H ALA 9 -5.059 -3.422 3.736 73 HA ALA 9 HA ALA 9 -7.629 -3.886 2.316 74 1HB ALA 9 1HB ALA 9 -7.877 -4.172 4.745 75 2HB ALA 9 2HB ALA 9 -7.092 -2.600 5.022 76 3HB ALA 9 3HB ALA 9 -8.660 -2.677 4.193 77 H MET 10 H MET 10 -8.149 -2.262 0.934 78 HA MET 10 HA MET 10 -7.264 0.471 1.496 79 1HB MET 10 2HB MET 10 -6.419 -0.930 -1.044 80 2HB MET 10 3HB MET 10 -6.624 0.825 -0.948 81 1HG MET 10 2HG MET 10 -5.054 0.786 1.084 82 2HG MET 10 3HG MET 10 -4.612 -0.834 0.569 83 1HE MET 10 1HE MET 10 -3.308 0.248 -3.146 84 2HE MET 10 2HE MET 10 -3.696 -1.171 -2.151 85 3HE MET 10 3HE MET 10 -4.991 -0.088 -2.732 86 H GLN 11 H GLN 11 -8.387 1.965 -0.259 87 HA GLN 11 HA GLN 11 -11.139 0.940 -0.811 88 1HB GLN 11 2HB GLN 11 -9.972 3.698 -0.418 89 2HB GLN 11 3HB GLN 11 -11.530 3.460 -1.231 90 1HG GLN 11 2HG GLN 11 -12.504 2.464 0.710 91 2HG GLN 11 3HG GLN 11 -10.937 2.266 1.487 92 1HE2 GLN 11 1HE2 GLN 11 -10.982 3.556 3.266 93 2HE2 GLN 11 2HE2 GLN 11 -11.568 5.215 3.271 94 H VAL 12 H VAL 12 -12.057 1.275 -2.881 95 HA VAL 12 HA VAL 12 -10.264 1.869 -5.123 96 HB VAL 12 HB VAL 12 -10.039 -0.540 -4.720 97 1HG1 VAL 12 1HG1 VAL 12 -12.173 -0.988 -3.487 98 2HG1 VAL 12 2HG1 VAL 12 -13.061 -0.670 -4.992 99 3HG1 VAL 12 3HG1 VAL 12 -11.989 -2.064 -4.886 100 1HG2 VAL 12 1HG2 VAL 12 -10.137 0.249 -7.043 101 2HG2 VAL 12 2HG2 VAL 12 -10.785 -1.395 -6.871 102 3HG2 VAL 12 3HG2 VAL 12 -11.899 -0.026 -7.050 103 H SER 13 H SER 13 -11.435 2.512 -6.975 104 HA SER 13 HA SER 13 -14.256 3.363 -6.441 105 1HB SER 13 2HB SER 13 -12.193 4.592 -8.269 106 2HB SER 13 3HB SER 13 -13.745 5.289 -7.795 107 HG SER 13 HG SER 13 -12.823 5.099 -5.548 108 H GLY 14 H GLY 14 -15.485 3.766 -8.486 109 1HA GLY 14 2HA GLY 14 -16.205 3.159 -10.623 110 2HA GLY 14 3HA GLY 14 -14.912 1.971 -10.776 111 H MET 15 H MET 15 -16.070 1.542 -7.718 112 HA MET 15 HA MET 15 -17.498 -0.881 -8.342 113 1HB MET 15 2HB MET 15 -17.056 0.589 -5.727 114 2HB MET 15 3HB MET 15 -17.894 -0.969 -5.901 115 1HG MET 15 2HG MET 15 -15.795 -1.774 -7.189 116 2HG MET 15 3HG MET 15 -14.988 -0.359 -6.495 117 1HE MET 15 1HE MET 15 -16.594 -0.345 -3.576 118 2HE MET 15 2HE MET 15 -15.299 -1.205 -2.686 119 3HE MET 15 3HE MET 15 -14.893 0.056 -3.868 120 H THR 16 H THR 16 -19.023 -0.051 -9.722 121 HA THR 16 HA THR 16 -21.118 1.737 -8.833 122 HB THR 16 HB THR 16 -21.057 -0.104 -11.260 123 HG1 THR 16 1HG THR 16 -19.154 1.300 -11.028 124 1HG2 THR 16 1HG2 THR 16 -22.438 2.567 -10.728 125 2HG2 THR 16 2HG2 THR 16 -22.425 1.705 -12.278 126 3HG2 THR 16 3HG2 THR 16 -23.245 0.990 -10.877 127 H CYS 17 H CYS 17 -20.561 -1.748 -8.738 128 HA CYS 17 HA CYS 17 -22.871 -2.235 -7.107 129 1HB CYS 17 2HB CYS 17 -23.851 -1.990 -9.495 130 2HB CYS 17 3HB CYS 17 -22.999 -3.498 -9.879 131 HG CYS 17 HG CYS 17 -24.252 -5.009 -8.302 132 H ALA 18 H ALA 18 -23.024 -4.614 -6.622 133 HA ALA 18 HA ALA 18 -20.820 -5.924 -5.875 134 1HB ALA 18 1HB ALA 18 -22.107 -8.017 -5.978 135 2HB ALA 18 2HB ALA 18 -23.110 -6.676 -5.395 136 3HB ALA 18 3HB ALA 18 -23.286 -7.257 -7.067 137 H ALA 19 H ALA 19 -22.145 -6.247 -9.210 138 HA ALA 19 HA ALA 19 -20.354 -8.206 -10.136 139 1HB ALA 19 1HB ALA 19 -20.887 -7.360 -12.384 140 2HB ALA 19 2HB ALA 19 -22.344 -7.479 -11.378 141 3HB ALA 19 3HB ALA 19 -21.596 -5.891 -11.677 142 H CYS 20 H CYS 20 -19.821 -4.673 -9.799 143 HA CYS 20 HA CYS 20 -17.380 -4.627 -11.361 144 1HB CYS 20 2HB CYS 20 -18.411 -2.758 -9.174 145 2HB CYS 20 3HB CYS 20 -16.917 -2.532 -10.088 146 HG CYS 20 HG CYS 20 -18.101 -1.032 -11.468 147 H ALA 21 H ALA 21 -18.110 -4.656 -7.876 148 HA ALA 21 HA ALA 21 -15.541 -5.031 -6.833 149 1HB ALA 21 1HB ALA 21 -18.106 -6.296 -5.770 150 2HB ALA 21 2HB ALA 21 -16.682 -5.820 -4.842 151 3HB ALA 21 3HB ALA 21 -17.682 -4.581 -5.589 152 H ALA 22 H ALA 22 -17.847 -7.531 -7.898 153 HA ALA 22 HA ALA 22 -16.234 -9.831 -7.395 154 1HB ALA 22 1HB ALA 22 -17.815 -11.001 -8.819 155 2HB ALA 22 2HB ALA 22 -18.681 -9.896 -7.733 156 3HB ALA 22 3HB ALA 22 -18.447 -9.464 -9.443 157 H ARG 23 H ARG 23 -16.375 -7.610 -10.225 158 HA ARG 23 HA ARG 23 -14.748 -9.241 -11.866 159 1HB ARG 23 2HB ARG 23 -15.689 -6.423 -11.889 160 2HB ARG 23 3HB ARG 23 -14.080 -6.613 -12.570 161 1HG ARG 23 2HG ARG 23 -16.578 -8.160 -13.369 162 2HG ARG 23 3HG ARG 23 -15.856 -6.798 -14.231 163 1HD ARG 23 2HD ARG 23 -13.709 -8.622 -13.847 164 2HD ARG 23 3HD ARG 23 -15.104 -9.646 -14.201 165 HE ARG 23 HE ARG 23 -15.061 -7.498 -16.075 166 1HH1 ARG 23 2HH2 ARG 23 -13.092 -10.284 -15.242 167 2HH1 ARG 23 1HH2 ARG 23 -12.378 -10.470 -16.818 168 1HH2 ARG 23 2HH1 ARG 23 -14.089 -7.647 -18.165 169 2HH2 ARG 23 1HH1 ARG 23 -12.969 -8.915 -18.525 170 H ILE 24 H ILE 24 -13.826 -6.726 -9.380 171 HA ILE 24 HA ILE 24 -11.025 -7.084 -9.775 172 HB ILE 24 HB ILE 24 -12.701 -6.204 -7.383 173 1HG1 ILE 24 2HG1 ILE 24 -11.399 -4.059 -7.944 174 2HG1 ILE 24 3HG1 ILE 24 -11.001 -4.814 -9.502 175 1HG2 ILE 24 1HG2 ILE 24 -10.736 -7.184 -6.462 176 2HG2 ILE 24 2HG2 ILE 24 -9.724 -6.212 -7.573 177 3HG2 ILE 24 3HG2 ILE 24 -10.737 -5.423 -6.336 178 1HD1 ILE 24 1HD1 ILE 24 -13.794 -4.445 -8.431 179 2HD1 ILE 24 2HD1 ILE 24 -12.949 -3.201 -9.365 180 3HD1 ILE 24 3HD1 ILE 24 -13.287 -4.766 -10.133 181 H GLU 25 H GLU 25 -13.372 -8.650 -7.464 182 HA GLU 25 HA GLU 25 -11.450 -10.226 -6.219 183 1HB GLU 25 2HB GLU 25 -14.351 -11.027 -6.916 184 2HB GLU 25 3HB GLU 25 -13.259 -11.919 -5.885 185 1HG GLU 25 2HG GLU 25 -13.046 -9.624 -4.585 186 2HG GLU 25 3HG GLU 25 -14.604 -9.283 -5.355 187 H LYS 26 H LYS 26 -13.319 -11.050 -9.163 188 HA LYS 26 HA LYS 26 -12.156 -13.644 -9.347 189 1HB LYS 26 2HB LYS 26 -14.393 -12.814 -10.341 190 2HB LYS 26 3HB LYS 26 -13.404 -12.207 -11.690 191 1HG LYS 26 2HG LYS 26 -12.279 -14.584 -11.542 192 2HG LYS 26 3HG LYS 26 -13.718 -15.066 -10.658 193 1HD LYS 26 2HD LYS 26 -13.645 -13.915 -13.495 194 2HD LYS 26 3HD LYS 26 -13.703 -15.636 -13.080 195 1HE LYS 26 2HE LYS 26 -15.876 -15.183 -11.821 196 2HE LYS 26 3HE LYS 26 -15.861 -13.551 -12.511 197 1HZ LYS 26 1HZ LYS 26 -17.193 -15.059 -13.810 198 2HZ LYS 26 2HZ LYS 26 -15.897 -14.594 -14.707 199 3HZ LYS 26 3HZ LYS 26 -15.935 -16.090 -14.024 200 H GLY 27 H GLY 27 -11.491 -10.521 -10.982 201 1HA GLY 27 2HA GLY 27 -9.481 -11.327 -12.789 202 2HA GLY 27 3HA GLY 27 -9.619 -9.737 -12.006 203 H LEU 28 H LEU 28 -9.265 -10.321 -9.346 204 HA LEU 28 HA LEU 28 -6.404 -10.673 -9.277 205 1HB LEU 28 2HB LEU 28 -8.556 -10.010 -7.239 206 2HB LEU 28 3HB LEU 28 -6.935 -10.423 -6.705 207 HG LEU 28 HG LEU 28 -7.319 -7.957 -6.923 208 1HD1 LEU 28 1HD1 LEU 28 -5.161 -7.504 -7.812 209 2HD1 LEU 28 2HD1 LEU 28 -5.062 -9.104 -7.045 210 3HD1 LEU 28 3HD1 LEU 28 -5.143 -8.968 -8.803 211 1HD2 LEU 28 1HD2 LEU 28 -7.190 -6.869 -9.091 212 2HD2 LEU 28 2HD2 LEU 28 -7.430 -8.421 -9.914 213 3HD2 LEU 28 3HD2 LEU 28 -8.692 -7.746 -8.881 214 H LYS 29 H LYS 29 -9.135 -12.689 -8.147 215 HA LYS 29 HA LYS 29 -7.645 -14.748 -6.967 216 1HB LYS 29 2HB LYS 29 -10.398 -14.493 -8.027 217 2HB LYS 29 3HB LYS 29 -9.703 -16.059 -8.340 218 1HG LYS 29 2HG LYS 29 -10.672 -16.476 -6.331 219 2HG LYS 29 3HG LYS 29 -9.019 -16.143 -5.871 220 1HD LYS 29 2HD LYS 29 -10.124 -14.967 -4.280 221 2HD LYS 29 3HD LYS 29 -9.926 -13.670 -5.466 222 1HE LYS 29 2HE LYS 29 -12.280 -13.993 -6.187 223 2HE LYS 29 3HE LYS 29 -12.428 -15.431 -5.166 224 1HZ LYS 29 1HZ LYS 29 -12.006 -12.719 -4.073 225 2HZ LYS 29 2HZ LYS 29 -13.431 -13.421 -4.088 226 3HZ LYS 29 3HZ LYS 29 -12.165 -14.070 -3.210 227 H ARG 30 H ARG 30 -7.887 -13.882 -10.337 228 HA ARG 30 HA ARG 30 -7.027 -16.299 -11.504 229 1HB ARG 30 2HB ARG 30 -7.993 -14.045 -12.454 230 2HB ARG 30 3HB ARG 30 -6.304 -13.574 -12.610 231 1HG ARG 30 2HG ARG 30 -5.864 -15.341 -14.181 232 2HG ARG 30 3HG ARG 30 -7.354 -16.201 -13.753 233 1HD ARG 30 2HD ARG 30 -8.739 -14.409 -14.652 234 2HD ARG 30 3HD ARG 30 -7.335 -13.459 -15.103 235 HE ARG 30 HE ARG 30 -8.461 -15.875 -16.382 236 1HH1 ARG 30 2HH2 ARG 30 -5.605 -13.838 -16.191 237 2HH1 ARG 30 1HH2 ARG 30 -5.071 -14.130 -17.819 238 1HH2 ARG 30 2HH1 ARG 30 -7.767 -16.353 -18.535 239 2HH2 ARG 30 1HH1 ARG 30 -6.320 -15.642 -19.164 240 H MET 31 H MET 31 -5.172 -14.101 -9.548 241 HA MET 31 HA MET 31 -2.544 -14.660 -10.749 242 1HB MET 31 2HB MET 31 -3.439 -13.411 -8.141 243 2HB MET 31 3HB MET 31 -1.767 -13.456 -8.665 244 1HG MET 31 2HG MET 31 -3.594 -12.333 -10.728 245 2HG MET 31 3HG MET 31 -3.611 -11.465 -9.209 246 1HE MET 31 1HE MET 31 0.077 -11.883 -11.972 247 2HE MET 31 2HE MET 31 -0.603 -13.296 -11.149 248 3HE MET 31 3HE MET 31 -1.561 -12.449 -12.383 249 HA PRO 32 HA PRO 32 -1.776 -18.362 -8.425 250 1HB PRO 32 2HB PRO 32 0.922 -18.448 -8.139 251 2HB PRO 32 3HB PRO 32 0.112 -18.591 -9.725 252 1HG PRO 32 2HG PRO 32 1.401 -16.145 -8.511 253 2HG PRO 32 3HG PRO 32 1.557 -16.760 -10.177 254 1HD PRO 32 2HD PRO 32 -0.176 -14.749 -9.468 255 2HD PRO 32 3HD PRO 32 -0.528 -15.891 -10.801 256 H GLY 33 H GLY 33 -0.006 -15.469 -7.023 257 1HA GLY 33 2HA GLY 33 0.426 -16.838 -4.531 258 2HA GLY 33 3HA GLY 33 0.741 -15.138 -4.903 259 H VAL 34 H VAL 34 -2.274 -15.170 -5.811 260 HA VAL 34 HA VAL 34 -3.347 -13.966 -3.442 261 HB VAL 34 HB VAL 34 -3.960 -13.438 -5.815 262 1HG1 VAL 34 1HG1 VAL 34 -5.318 -14.851 -7.111 263 2HG1 VAL 34 2HG1 VAL 34 -4.203 -15.986 -6.360 264 3HG1 VAL 34 3HG1 VAL 34 -5.839 -15.818 -5.720 265 1HG2 VAL 34 1HG2 VAL 34 -6.325 -13.019 -5.370 266 2HG2 VAL 34 2HG2 VAL 34 -6.296 -14.146 -4.000 267 3HG2 VAL 34 3HG2 VAL 34 -5.344 -12.648 -3.939 268 H THR 35 H THR 35 -4.272 -14.819 -1.717 269 HA THR 35 HA THR 35 -5.081 -17.655 -1.829 270 HB THR 35 HB THR 35 -4.848 -15.731 0.465 271 HG1 THR 35 1HG THR 35 -3.591 -18.138 -0.402 272 1HG2 THR 35 1HG2 THR 35 -5.397 -17.738 1.884 273 2HG2 THR 35 2HG2 THR 35 -6.789 -17.178 0.945 274 3HG2 THR 35 3HG2 THR 35 -5.882 -18.613 0.417 275 H ASP 36 H ASP 36 -6.287 -14.312 -1.046 276 HA ASP 36 HA ASP 36 -8.679 -14.947 -2.526 277 1HB ASP 36 2HB ASP 36 -9.129 -15.786 -0.144 278 2HB ASP 36 3HB ASP 36 -9.044 -14.100 0.378 279 H ALA 37 H ALA 37 -10.068 -13.029 -2.606 280 HA ALA 37 HA ALA 37 -8.788 -10.410 -2.219 281 1HB ALA 37 1HB ALA 37 -8.040 -11.057 -4.511 282 2HB ALA 37 2HB ALA 37 -9.725 -11.346 -4.972 283 3HB ALA 37 3HB ALA 37 -9.200 -9.705 -4.538 284 H ASN 38 H ASN 38 -10.399 -9.540 -0.993 285 HA ASN 38 HA ASN 38 -13.238 -10.270 -1.583 286 1HB ASN 38 2HB ASN 38 -12.035 -9.324 1.038 287 2HB ASN 38 3HB ASN 38 -13.692 -9.876 0.759 288 1HD2 ASN 38 1HD2 ASN 38 -13.586 -12.239 -0.499 289 2HD2 ASN 38 2HD2 ASN 38 -12.499 -13.376 0.297 290 H VAL 39 H VAL 39 -14.711 -8.437 -1.704 291 HA VAL 39 HA VAL 39 -13.604 -5.819 -0.842 292 HB VAL 39 HB VAL 39 -12.770 -5.783 -2.971 293 1HG1 VAL 39 1HG1 VAL 39 -15.265 -7.151 -3.896 294 2HG1 VAL 39 2HG1 VAL 39 -14.251 -6.187 -5.015 295 3HG1 VAL 39 3HG1 VAL 39 -13.556 -7.542 -4.132 296 1HG2 VAL 39 1HG2 VAL 39 -13.857 -4.012 -4.060 297 2HG2 VAL 39 2HG2 VAL 39 -15.417 -4.358 -3.260 298 3HG2 VAL 39 3HG2 VAL 39 -14.035 -3.744 -2.321 299 H ASN 40 H ASN 40 -14.817 -4.937 0.433 300 HA ASN 40 HA ASN 40 -17.737 -5.507 0.524 301 1HB ASN 40 2HB ASN 40 -15.687 -4.344 2.423 302 2HB ASN 40 3HB ASN 40 -17.346 -3.759 2.546 303 1HD2 ASN 40 1HD2 ASN 40 -15.718 -5.455 4.434 304 2HD2 ASN 40 2HD2 ASN 40 -16.826 -6.778 4.762 305 H LEU 41 H LEU 41 -18.117 -4.518 -1.489 306 HA LEU 41 HA LEU 41 -17.878 -1.787 -2.113 307 1HB LEU 41 2HB LEU 41 -19.921 -1.979 -3.408 308 2HB LEU 41 3HB LEU 41 -18.842 -3.316 -3.729 309 HG LEU 41 HG LEU 41 -20.974 -3.777 -1.696 310 1HD1 LEU 41 1HD1 LEU 41 -22.591 -4.316 -3.512 311 2HD1 LEU 41 2HD1 LEU 41 -22.193 -2.592 -3.433 312 3HD1 LEU 41 3HD1 LEU 41 -21.453 -3.611 -4.685 313 1HD2 LEU 41 1HD2 LEU 41 -21.049 -6.005 -2.869 314 2HD2 LEU 41 2HD2 LEU 41 -19.710 -5.465 -3.895 315 3HD2 LEU 41 3HD2 LEU 41 -19.482 -5.661 -2.149 316 H ALA 42 H ALA 42 -19.851 -3.318 0.314 317 HA ALA 42 HA ALA 42 -21.693 -1.268 0.829 318 1HB ALA 42 1HB ALA 42 -21.879 -3.557 1.760 319 2HB ALA 42 2HB ALA 42 -20.448 -3.269 2.777 320 3HB ALA 42 3HB ALA 42 -21.939 -2.343 3.055 321 H THR 43 H THR 43 -18.311 -1.676 1.940 322 HA THR 43 HA THR 43 -18.429 1.050 3.175 323 HB THR 43 HB THR 43 -16.633 0.290 4.616 324 HG1 THR 43 1HG THR 43 -15.559 -1.211 3.461 325 1HG2 THR 43 1HG2 THR 43 -18.742 -1.918 4.642 326 2HG2 THR 43 2HG2 THR 43 -17.898 -1.181 6.013 327 3HG2 THR 43 3HG2 THR 43 -19.119 -0.251 5.105 328 H GLU 44 H GLU 44 -17.940 -0.077 0.313 329 HA GLU 44 HA GLU 44 -16.543 0.032 -1.363 330 1HB GLU 44 2HB GLU 44 -15.924 2.756 -0.176 331 2HB GLU 44 3HB GLU 44 -15.614 2.269 -1.848 332 1HG GLU 44 2HG GLU 44 -18.050 1.805 -2.158 333 2HG GLU 44 3HG GLU 44 -18.359 2.397 -0.517 334 H THR 45 H THR 45 -15.239 -1.628 0.562 335 HA THR 45 HA THR 45 -12.436 -0.610 0.674 336 HB THR 45 HB THR 45 -13.869 -2.524 2.546 337 HG1 THR 45 1HG THR 45 -13.912 0.250 2.489 338 1HG2 THR 45 1HG2 THR 45 -11.318 -0.883 2.859 339 2HG2 THR 45 2HG2 THR 45 -12.018 -2.048 4.012 340 3HG2 THR 45 3HG2 THR 45 -11.420 -2.609 2.435 341 H VAL 46 H VAL 46 -11.065 -1.859 -0.533 342 HA VAL 46 HA VAL 46 -11.817 -4.635 -1.233 343 HB VAL 46 HB VAL 46 -11.280 -3.395 -3.176 344 1HG1 VAL 46 1HG1 VAL 46 -10.020 -1.475 -2.338 345 2HG1 VAL 46 2HG1 VAL 46 -8.669 -2.522 -1.850 346 3HG1 VAL 46 3HG1 VAL 46 -9.064 -2.322 -3.556 347 1HG2 VAL 46 1HG2 VAL 46 -10.365 -5.706 -2.977 348 2HG2 VAL 46 2HG2 VAL 46 -9.433 -4.667 -4.076 349 3HG2 VAL 46 3HG2 VAL 46 -8.821 -5.003 -2.446 350 H ASN 47 H ASN 47 -10.794 -6.271 -0.245 351 HA ASN 47 HA ASN 47 -8.398 -5.699 1.425 352 1HB ASN 47 2HB ASN 47 -10.738 -7.579 1.977 353 2HB ASN 47 3HB ASN 47 -9.218 -7.584 2.882 354 1HD2 ASN 47 1HD2 ASN 47 -11.540 -7.294 4.289 355 2HD2 ASN 47 2HD2 ASN 47 -11.661 -5.638 4.865 356 H VAL 48 H VAL 48 -6.681 -6.818 0.456 357 HA VAL 48 HA VAL 48 -7.375 -9.295 -1.084 358 HB VAL 48 HB VAL 48 -4.938 -7.670 -1.739 359 1HG1 VAL 48 1HG1 VAL 48 -5.118 -8.896 -3.836 360 2HG1 VAL 48 2HG1 VAL 48 -5.336 -10.092 -2.555 361 3HG1 VAL 48 3HG1 VAL 48 -6.738 -9.466 -3.425 362 1HG2 VAL 48 1HG2 VAL 48 -6.274 -6.689 -3.641 363 2HG2 VAL 48 2HG2 VAL 48 -7.750 -7.263 -2.844 364 3HG2 VAL 48 3HG2 VAL 48 -6.713 -6.046 -2.055 365 H ILE 49 H ILE 49 -6.330 -11.139 -0.590 366 HA ILE 49 HA ILE 49 -4.317 -10.990 1.547 367 HB ILE 49 HB ILE 49 -6.643 -12.914 1.238 368 1HG1 ILE 49 2HG1 ILE 49 -5.978 -11.118 3.607 369 2HG1 ILE 49 3HG1 ILE 49 -7.003 -10.555 2.288 370 1HG2 ILE 49 1HG2 ILE 49 -4.576 -14.109 2.037 371 2HG2 ILE 49 2HG2 ILE 49 -4.425 -12.933 3.346 372 3HG2 ILE 49 3HG2 ILE 49 -5.812 -14.033 3.281 373 1HD1 ILE 49 1HD1 ILE 49 -7.622 -12.957 4.036 374 2HD1 ILE 49 2HD1 ILE 49 -8.372 -11.355 4.102 375 3HD1 ILE 49 3HD1 ILE 49 -8.594 -12.371 2.665 376 H TYR 50 H TYR 50 -2.388 -11.807 0.736 377 HA TYR 50 HA TYR 50 -2.386 -14.046 -1.179 378 1HB TYR 50 2HB TYR 50 -1.335 -12.706 -3.006 379 2HB TYR 50 3HB TYR 50 -2.942 -12.093 -2.624 380 HD1 TYR 50 HD1 TYR 50 -3.348 -10.006 -1.565 381 HD2 TYR 50 HD2 TYR 50 0.626 -11.237 -2.642 382 HE1 TYR 50 HE1 TYR 50 -2.577 -7.699 -1.363 383 HE2 TYR 50 HE2 TYR 50 1.469 -8.960 -2.130 384 HH TYR 50 HH TYR 50 -0.553 -6.276 -1.393 385 H ASP 51 H ASP 51 -0.041 -14.252 -2.086 386 HA ASP 51 HA ASP 51 1.704 -14.341 0.244 387 1HB ASP 51 2HB ASP 51 1.449 -16.342 -1.193 388 2HB ASP 51 3HB ASP 51 1.918 -15.405 -2.616 389 HA PRO 52 HA PRO 52 3.783 -10.651 -1.299 390 1HB PRO 52 2HB PRO 52 5.665 -10.318 0.725 391 2HB PRO 52 3HB PRO 52 3.945 -9.975 0.926 392 1HG PRO 52 2HG PRO 52 5.475 -12.482 1.672 393 2HG PRO 52 3HG PRO 52 4.290 -11.597 2.674 394 1HD PRO 52 2HD PRO 52 3.670 -13.847 1.241 395 2HD PRO 52 3HD PRO 52 2.483 -12.534 1.498 396 H ALA 53 H ALA 53 4.845 -13.558 -1.993 397 HA ALA 53 HA ALA 53 7.622 -12.753 -2.727 398 1HB ALA 53 1HB ALA 53 8.397 -14.941 -2.080 399 2HB ALA 53 2HB ALA 53 7.616 -14.152 -0.699 400 3HB ALA 53 3HB ALA 53 6.768 -15.435 -1.582 401 H GLU 54 H GLU 54 4.765 -14.724 -3.554 402 HA GLU 54 HA GLU 54 5.872 -15.384 -6.175 403 1HB GLU 54 2HB GLU 54 3.029 -15.548 -5.092 404 2HB GLU 54 3HB GLU 54 3.589 -16.165 -6.652 405 1HG GLU 54 2HG GLU 54 5.371 -17.473 -5.268 406 2HG GLU 54 3HG GLU 54 4.339 -17.136 -3.879 407 H THR 55 H THR 55 3.590 -12.859 -4.953 408 HA THR 55 HA THR 55 3.024 -12.135 -7.802 409 HB THR 55 HB THR 55 1.337 -12.381 -5.307 410 HG1 THR 55 1HG THR 55 1.676 -13.716 -7.724 411 1HG2 THR 55 1HG2 THR 55 0.539 -11.154 -7.977 412 2HG2 THR 55 2HG2 THR 55 -0.548 -11.644 -6.648 413 3HG2 THR 55 3HG2 THR 55 0.628 -10.345 -6.387 414 H GLY 56 H GLY 56 2.148 -10.260 -4.866 415 1HA GLY 56 2HA GLY 56 3.786 -8.696 -3.953 416 2HA GLY 56 3HA GLY 56 4.306 -8.297 -5.592 417 H THR 57 H THR 57 2.682 -7.095 -3.207 418 HA THR 57 HA THR 57 0.298 -6.011 -3.665 419 HB THR 57 HB THR 57 1.672 -5.426 -1.801 420 HG1 THR 57 1HG THR 57 1.345 -2.906 -2.369 421 1HG2 THR 57 1HG2 THR 57 3.272 -3.548 -3.540 422 2HG2 THR 57 2HG2 THR 57 3.397 -3.871 -1.794 423 3HG2 THR 57 3HG2 THR 57 3.795 -5.152 -2.961 424 H ALA 58 H ALA 58 3.167 -4.844 -5.462 425 HA ALA 58 HA ALA 58 1.855 -2.781 -6.895 426 1HB ALA 58 1HB ALA 58 3.771 -2.897 -8.424 427 2HB ALA 58 2HB ALA 58 4.295 -2.975 -6.731 428 3HB ALA 58 3HB ALA 58 4.262 -4.455 -7.720 429 H ALA 59 H ALA 59 2.188 -6.292 -7.633 430 HA ALA 59 HA ALA 59 1.033 -6.031 -10.294 431 1HB ALA 59 1HB ALA 59 2.547 -7.852 -9.708 432 2HB ALA 59 2HB ALA 59 1.372 -8.446 -8.504 433 3HB ALA 59 3HB ALA 59 0.945 -8.434 -10.236 434 H ILE 60 H ILE 60 -0.104 -6.612 -6.981 435 HA ILE 60 HA ILE 60 -2.768 -7.437 -7.611 436 HB ILE 60 HB ILE 60 -1.969 -5.728 -5.229 437 1HG1 ILE 60 2HG1 ILE 60 -0.432 -7.630 -5.260 438 2HG1 ILE 60 3HG1 ILE 60 -1.597 -7.740 -3.970 439 1HG2 ILE 60 1HG2 ILE 60 -4.347 -5.935 -5.456 440 2HG2 ILE 60 2HG2 ILE 60 -4.197 -7.701 -5.567 441 3HG2 ILE 60 3HG2 ILE 60 -3.743 -6.869 -4.069 442 1HD1 ILE 60 1HD1 ILE 60 -2.870 -9.452 -5.236 443 2HD1 ILE 60 2HD1 ILE 60 -1.699 -9.303 -6.573 444 3HD1 ILE 60 3HD1 ILE 60 -1.183 -9.901 -4.981 445 H GLN 61 H GLN 61 -1.396 -4.150 -6.909 446 HA GLN 61 HA GLN 61 -3.859 -2.858 -7.541 447 1HB GLN 61 2HB GLN 61 -2.887 -0.894 -7.087 448 2HB GLN 61 3HB GLN 61 -1.753 -1.964 -6.262 449 1HG GLN 61 2HG GLN 61 -0.298 -1.796 -8.371 450 2HG GLN 61 3HG GLN 61 -1.411 -0.566 -8.957 451 1HE2 GLN 61 1HE2 GLN 61 -1.532 1.451 -7.636 452 2HE2 GLN 61 2HE2 GLN 61 -0.167 1.862 -6.597 453 H GLU 62 H GLU 62 -1.014 -3.722 -9.587 454 HA GLU 62 HA GLU 62 -1.801 -2.422 -11.951 455 1HB GLU 62 2HB GLU 62 0.357 -3.665 -11.528 456 2HB GLU 62 3HB GLU 62 -0.584 -5.156 -11.599 457 1HG GLU 62 2HG GLU 62 -1.216 -3.967 -14.024 458 2HG GLU 62 3HG GLU 62 0.455 -3.448 -13.793 459 H LYS 63 H LYS 63 -3.002 -5.525 -10.487 460 HA LYS 63 HA LYS 63 -4.516 -6.229 -12.866 461 1HB LYS 63 2HB LYS 63 -3.961 -7.394 -10.210 462 2HB LYS 63 3HB LYS 63 -5.636 -7.529 -10.717 463 1HG LYS 63 2HG LYS 63 -4.622 -9.485 -11.407 464 2HG LYS 63 3HG LYS 63 -4.933 -8.567 -12.874 465 1HD LYS 63 2HD LYS 63 -2.228 -8.608 -11.435 466 2HD LYS 63 3HD LYS 63 -2.704 -9.826 -12.632 467 1HE LYS 63 2HE LYS 63 -3.001 -8.028 -14.341 468 2HE LYS 63 3HE LYS 63 -2.391 -6.843 -13.170 469 1HZ LYS 63 1HZ LYS 63 -0.715 -7.563 -14.665 470 2HZ LYS 63 2HZ LYS 63 -0.300 -7.789 -13.174 471 3HZ LYS 63 3HZ LYS 63 -0.758 -9.124 -14.076 472 H ILE 64 H ILE 64 -5.325 -4.575 -9.743 473 HA ILE 64 HA ILE 64 -8.104 -4.271 -10.301 474 HB ILE 64 HB ILE 64 -6.186 -2.400 -8.828 475 1HG1 ILE 64 2HG1 ILE 64 -8.112 -4.551 -7.797 476 2HG1 ILE 64 3HG1 ILE 64 -6.368 -4.774 -7.934 477 1HG2 ILE 64 1HG2 ILE 64 -8.243 -1.520 -7.741 478 2HG2 ILE 64 2HG2 ILE 64 -8.213 -1.199 -9.464 479 3HG2 ILE 64 3HG2 ILE 64 -9.225 -2.520 -8.831 480 1HD1 ILE 64 1HD1 ILE 64 -6.819 -4.296 -5.665 481 2HD1 ILE 64 2HD1 ILE 64 -6.025 -2.866 -6.352 482 3HD1 ILE 64 3HD1 ILE 64 -7.781 -2.865 -6.052 483 H GLU 65 H GLU 65 -5.307 -2.193 -11.188 484 HA GLU 65 HA GLU 65 -6.796 -0.284 -12.651 485 1HB GLU 65 2HB GLU 65 -3.909 -1.203 -12.963 486 2HB GLU 65 3HB GLU 65 -4.616 0.215 -13.753 487 1HG GLU 65 2HG GLU 65 -5.227 1.139 -11.505 488 2HG GLU 65 3HG GLU 65 -4.459 -0.232 -10.727 489 H LYS 66 H LYS 66 -5.125 -3.212 -13.897 490 HA LYS 66 HA LYS 66 -5.999 -2.900 -16.580 491 1HB LYS 66 2HB LYS 66 -5.065 -5.273 -14.970 492 2HB LYS 66 3HB LYS 66 -5.653 -5.451 -16.633 493 1HG LYS 66 2HG LYS 66 -4.055 -3.737 -17.418 494 2HG LYS 66 3HG LYS 66 -3.394 -3.594 -15.770 495 1HD LYS 66 2HD LYS 66 -2.637 -5.886 -15.813 496 2HD LYS 66 3HD LYS 66 -3.590 -6.241 -17.263 497 1HE LYS 66 2HE LYS 66 -1.293 -6.097 -17.943 498 2HE LYS 66 3HE LYS 66 -2.160 -4.709 -18.614 499 1HZ LYS 66 1HZ LYS 66 -0.440 -4.772 -16.232 500 2HZ LYS 66 2HZ LYS 66 -0.044 -4.076 -17.667 501 3HZ LYS 66 3HZ LYS 66 -1.235 -3.416 -16.733 502 H LEU 67 H LEU 67 -7.758 -4.462 -13.807 503 HA LEU 67 HA LEU 67 -9.877 -5.430 -15.449 504 1HB LEU 67 2HB LEU 67 -9.312 -4.927 -12.538 505 2HB LEU 67 3HB LEU 67 -10.979 -5.127 -12.996 506 HG LEU 67 HG LEU 67 -9.745 -7.152 -12.234 507 1HD1 LEU 67 1HD1 LEU 67 -11.103 -7.340 -14.966 508 2HD1 LEU 67 2HD1 LEU 67 -11.008 -8.628 -13.748 509 3HD1 LEU 67 3HD1 LEU 67 -11.941 -7.161 -13.412 510 1HD2 LEU 67 1HD2 LEU 67 -7.658 -7.128 -13.442 511 2HD2 LEU 67 2HD2 LEU 67 -8.578 -8.548 -13.909 512 3HD2 LEU 67 3HD2 LEU 67 -8.492 -7.168 -15.008 513 H GLY 68 H GLY 68 -9.002 -2.190 -14.786 514 1HA GLY 68 2HA GLY 68 -9.968 -0.439 -15.939 515 2HA GLY 68 3HA GLY 68 -11.489 -1.321 -16.126 516 H TYR 69 H TYR 69 -9.525 -0.706 -13.203 517 HA TYR 69 HA TYR 69 -11.631 1.090 -12.080 518 1HB TYR 69 2HB TYR 69 -10.308 -1.268 -10.686 519 2HB TYR 69 3HB TYR 69 -11.381 -0.102 -9.916 520 HD1 TYR 69 HD1 TYR 69 -13.797 -0.012 -10.522 521 HD2 TYR 69 HD2 TYR 69 -11.180 -2.988 -12.170 522 HE1 TYR 69 HE1 TYR 69 -15.743 -1.152 -11.527 523 HE2 TYR 69 HE2 TYR 69 -13.147 -4.196 -13.102 524 HH TYR 69 HH TYR 69 -15.400 -4.115 -13.480 525 H HIS 70 H HIS 70 -10.635 2.004 -9.887 526 HA HIS 70 HA HIS 70 -7.741 2.565 -10.203 527 1HB HIS 70 2HB HIS 70 -9.995 4.605 -10.120 528 2HB HIS 70 3HB HIS 70 -8.391 4.997 -9.525 529 HD1 HIS 70 1HD HIS 70 -10.154 5.726 -12.464 530 HD2 HIS 70 2HD HIS 70 -6.405 3.991 -11.653 531 HE1 HIS 70 1HE HIS 70 -8.709 6.086 -14.539 532 H VAL 71 H VAL 71 -6.706 2.708 -8.293 533 HA VAL 71 HA VAL 71 -8.188 1.951 -5.861 534 HB VAL 71 HB VAL 71 -5.941 1.710 -4.903 535 1HG1 VAL 71 1HG1 VAL 71 -5.323 -0.298 -6.134 536 2HG1 VAL 71 2HG1 VAL 71 -7.083 -0.186 -5.966 537 3HG1 VAL 71 3HG1 VAL 71 -6.310 0.206 -7.519 538 1HG2 VAL 71 1HG2 VAL 71 -4.687 3.367 -6.311 539 2HG2 VAL 71 2HG2 VAL 71 -3.931 1.772 -6.252 540 3HG2 VAL 71 3HG2 VAL 71 -4.830 2.262 -7.695 541 H VAL 72 H VAL 72 -8.344 3.262 -4.033 542 HA VAL 72 HA VAL 72 -8.003 6.180 -4.494 543 HB VAL 72 HB VAL 72 -9.079 4.581 -2.157 544 1HG1 VAL 72 1HG1 VAL 72 -8.225 6.816 -1.458 545 2HG1 VAL 72 2HG1 VAL 72 -9.184 7.582 -2.740 546 3HG1 VAL 72 3HG1 VAL 72 -9.991 6.772 -1.381 547 1HG2 VAL 72 1HG2 VAL 72 -10.575 4.352 -4.091 548 2HG2 VAL 72 2HG2 VAL 72 -11.307 5.365 -2.840 549 3HG2 VAL 72 3HG2 VAL 72 -10.603 6.119 -4.290 550 H THR 73 H THR 73 -5.668 6.178 -4.637 551 HA THR 73 HA THR 73 -4.311 5.848 -2.069 552 HB THR 73 HB THR 73 -3.138 4.325 -4.405 553 HG1 THR 73 1HG THR 73 -5.240 3.443 -2.705 554 1HG2 THR 73 1HG2 THR 73 -3.309 3.636 -1.456 555 2HG2 THR 73 2HG2 THR 73 -2.079 3.113 -2.613 556 3HG2 THR 73 3HG2 THR 73 -2.132 4.808 -2.071 557 H GLU 74 H GLU 74 -2.407 7.083 -1.907 558 HA GLU 74 HA GLU 74 -1.889 8.855 -4.246 559 1HB GLU 74 2HB GLU 74 -2.451 9.575 -1.336 560 2HB GLU 74 3HB GLU 74 -1.658 10.683 -2.456 561 1HG GLU 74 2HG GLU 74 -4.421 9.492 -2.963 562 2HG GLU 74 3HG GLU 74 -4.116 11.084 -2.256 563 H LYS 75 H LYS 75 0.106 9.533 -4.491 564 HA LYS 75 HA LYS 75 2.288 8.155 -3.037 565 1HB LYS 75 2HB LYS 75 3.720 8.729 -4.805 566 2HB LYS 75 3HB LYS 75 2.262 7.946 -5.417 567 1HG LYS 75 2HG LYS 75 1.390 10.327 -5.917 568 2HG LYS 75 3HG LYS 75 3.059 10.855 -5.624 569 1HD LYS 75 2HD LYS 75 3.857 9.200 -7.318 570 2HD LYS 75 3HD LYS 75 2.160 8.815 -7.692 571 1HE LYS 75 2HE LYS 75 1.766 11.219 -8.287 572 2HE LYS 75 3HE LYS 75 3.462 11.583 -7.922 573 1HZ LYS 75 1HZ LYS 75 4.098 10.094 -9.693 574 2HZ LYS 75 2HZ LYS 75 2.522 9.762 -10.038 575 3HZ LYS 75 3HZ LYS 75 3.112 11.282 -10.259 576 H ALA 76 H ALA 76 2.187 9.192 -1.092 577 HA ALA 76 HA ALA 76 2.461 12.186 -1.022 578 1HB ALA 76 1HB ALA 76 2.223 10.126 1.183 579 2HB ALA 76 2HB ALA 76 2.330 11.888 1.425 580 3HB ALA 76 3HB ALA 76 0.932 11.190 0.586 581 H GLU 77 H GLU 77 4.350 13.124 0.225 582 HA GLU 77 HA GLU 77 6.804 11.437 -0.043 583 1HB GLU 77 2HB GLU 77 6.410 14.337 -0.854 584 2HB GLU 77 3HB GLU 77 7.976 13.533 -0.662 585 1HG GLU 77 2HG GLU 77 7.347 11.870 -2.396 586 2HG GLU 77 3HG GLU 77 5.805 12.714 -2.636 587 H PHE 78 H PHE 78 7.925 11.279 1.766 588 HA PHE 78 HA PHE 78 7.693 13.460 3.786 589 1HB PHE 78 2HB PHE 78 7.814 10.483 4.348 590 2HB PHE 78 3HB PHE 78 7.976 11.773 5.541 591 HD1 PHE 78 1HD PHE 78 6.044 13.226 6.139 592 HD2 PHE 78 2HD PHE 78 5.632 9.968 3.362 593 HE1 PHE 78 1HE PHE 78 3.642 13.789 5.811 594 HE2 PHE 78 2HE PHE 78 3.179 10.403 3.241 595 HZ PHE 78 HZ PHE 78 2.240 12.408 4.313 596 H ASP 79 H ASP 79 9.567 14.093 4.623 597 HA ASP 79 HA ASP 79 12.099 13.257 3.342 598 1HB ASP 79 2HB ASP 79 11.651 15.515 3.189 599 2HB ASP 79 3HB ASP 79 11.035 15.685 4.838 600 H ILE 80 H ILE 80 13.816 12.388 4.620 601 HA ILE 80 HA ILE 80 12.891 11.390 7.293 602 HB ILE 80 HB ILE 80 14.939 10.072 5.539 603 1HG1 ILE 80 2HG1 ILE 80 11.953 10.053 5.014 604 2HG1 ILE 80 3HG1 ILE 80 13.287 10.491 3.926 605 1HG2 ILE 80 1HG2 ILE 80 12.825 8.925 7.403 606 2HG2 ILE 80 2HG2 ILE 80 14.173 8.054 6.643 607 3HG2 ILE 80 3HG2 ILE 80 14.499 9.284 7.863 608 1HD1 ILE 80 1HD1 ILE 80 14.153 8.140 4.244 609 2HD1 ILE 80 2HD1 ILE 80 12.477 7.811 4.824 610 3HD1 ILE 80 3HD1 ILE 80 12.782 8.450 3.193 611 H GLU 81 H GLU 81 14.163 11.770 9.064 612 HA GLU 81 HA GLU 81 16.838 13.025 8.503 613 1HB GLU 81 2HB GLU 81 15.652 13.103 11.229 614 2HB GLU 81 3HB GLU 81 16.763 14.205 10.437 615 1HG GLU 81 2HG GLU 81 14.913 14.946 8.931 616 2HG GLU 81 3HG GLU 81 13.793 13.927 9.852 617 H GLY 82 H GLY 82 18.663 12.149 9.146 618 1HA GLY 82 2HA GLY 82 19.977 10.949 10.736 619 2HA GLY 82 3HA GLY 82 18.687 9.760 10.944 620 H MET 83 H MET 83 18.106 8.478 9.017 621 HA MET 83 HA MET 83 19.033 6.594 8.092 622 1HB MET 83 2HB MET 83 19.437 8.753 6.026 623 2HB MET 83 3HB MET 83 19.512 7.019 5.656 624 1HG MET 83 2HG MET 83 17.253 6.638 6.364 625 2HG MET 83 3HG MET 83 17.077 8.303 6.932 626 1HE MET 83 1HE MET 83 17.352 10.293 5.615 627 2HE MET 83 2HE MET 83 18.467 9.981 4.262 628 3HE MET 83 3HE MET 83 16.769 10.432 3.958 629 H THR 84 H THR 84 20.846 7.031 9.882 630 HA THR 84 HA THR 84 23.392 6.363 8.537 631 HB THR 84 HB THR 84 23.333 8.806 8.829 632 HG1 THR 84 1HG THR 84 25.295 7.773 8.897 633 1HG2 THR 84 1HG2 THR 84 23.383 8.378 11.841 634 2HG2 THR 84 2HG2 THR 84 23.418 9.898 10.941 635 3HG2 THR 84 3HG2 THR 84 21.949 8.910 10.940 636 H CYS 85 H CYS 85 21.860 4.448 9.421 637 HA CYS 85 HA CYS 85 23.577 3.398 11.510 638 1HB CYS 85 2HB CYS 85 21.439 4.385 12.703 639 2HB CYS 85 3HB CYS 85 20.594 3.014 11.942 640 HG CYS 85 HG CYS 85 21.068 2.334 14.340 641 H ALA 86 H ALA 86 23.211 1.007 11.569 642 HA ALA 86 HA ALA 86 23.955 -0.463 9.761 643 1HB ALA 86 1HB ALA 86 22.442 -2.337 10.306 644 2HB ALA 86 2HB ALA 86 22.928 -1.426 11.747 645 3HB ALA 86 3HB ALA 86 21.305 -1.201 11.065 646 H ALA 87 H ALA 87 20.455 0.155 9.427 647 HA ALA 87 HA ALA 87 20.636 0.771 6.652 648 1HB ALA 87 1HB ALA 87 19.224 -1.879 7.081 649 2HB ALA 87 2HB ALA 87 19.747 -1.061 5.578 650 3HB ALA 87 3HB ALA 87 20.929 -1.796 6.627 651 H CYS 88 H CYS 88 19.624 2.602 8.082 652 HA CYS 88 HA CYS 88 17.091 2.189 9.278 653 1HB CYS 88 2HB CYS 88 18.268 4.670 7.973 654 2HB CYS 88 3HB CYS 88 16.852 4.664 9.040 655 HG CYS 88 HG CYS 88 18.668 5.617 10.465 656 H ALA 89 H ALA 89 17.960 3.624 6.148 657 HA ALA 89 HA ALA 89 15.432 4.115 5.039 658 1HB ALA 89 1HB ALA 89 16.776 4.181 2.919 659 2HB ALA 89 2HB ALA 89 17.621 5.010 4.252 660 3HB ALA 89 3HB ALA 89 18.112 3.380 3.780 661 H ASN 90 H ASN 90 17.534 1.222 4.818 662 HA ASN 90 HA ASN 90 15.798 -0.172 3.059 663 1HB ASN 90 2HB ASN 90 17.731 -1.366 5.059 664 2HB ASN 90 3HB ASN 90 17.007 -2.205 3.682 665 1HD2 ASN 90 1HD2 ASN 90 19.291 -2.684 3.033 666 2HD2 ASN 90 2HD2 ASN 90 20.158 -1.438 2.157 667 H ARG 91 H ARG 91 16.085 -0.139 6.645 668 HA ARG 91 HA ARG 91 13.989 -2.030 7.146 669 1HB ARG 91 2HB ARG 91 15.445 0.033 8.739 670 2HB ARG 91 3HB ARG 91 13.805 -0.284 9.260 671 1HG ARG 91 2HG ARG 91 15.377 -1.703 10.426 672 2HG ARG 91 3HG ARG 91 14.210 -2.648 9.512 673 1HD ARG 91 2HD ARG 91 15.763 -3.578 8.143 674 2HD ARG 91 3HD ARG 91 16.694 -2.111 7.950 675 HE ARG 91 HE ARG 91 17.206 -4.264 9.772 676 1HH1 ARG 91 2HH2 ARG 91 17.615 -0.789 9.316 677 2HH1 ARG 91 1HH2 ARG 91 18.515 -0.538 10.790 678 1HH2 ARG 91 2HH1 ARG 91 18.717 -4.033 11.517 679 2HH2 ARG 91 1HH1 ARG 91 19.377 -2.483 11.912 680 H ILE 92 H ILE 92 13.825 1.584 6.845 681 HA ILE 92 HA ILE 92 10.965 1.562 7.213 682 HB ILE 92 HB ILE 92 10.967 3.813 6.197 683 1HG1 ILE 92 2HG1 ILE 92 13.916 3.850 6.574 684 2HG1 ILE 92 3HG1 ILE 92 13.145 3.500 4.991 685 1HG2 ILE 92 1HG2 ILE 92 11.970 4.767 8.294 686 2HG2 ILE 92 2HG2 ILE 92 10.882 3.410 8.594 687 3HG2 ILE 92 3HG2 ILE 92 12.642 3.166 8.651 688 1HD1 ILE 92 1HD1 ILE 92 12.643 5.993 6.609 689 2HD1 ILE 92 2HD1 ILE 92 13.667 5.844 5.163 690 3HD1 ILE 92 3HD1 ILE 92 11.914 5.546 5.049 691 H GLU 93 H GLU 93 12.956 1.119 4.304 692 HA GLU 93 HA GLU 93 10.933 1.405 2.356 693 1HB GLU 93 2HB GLU 93 13.425 1.237 1.948 694 2HB GLU 93 3HB GLU 93 13.348 -0.447 2.447 695 1HG GLU 93 2HG GLU 93 11.395 -0.277 0.467 696 2HG GLU 93 3HG GLU 93 12.665 0.808 -0.105 697 H LYS 94 H LYS 94 12.179 -1.479 4.103 698 HA LYS 94 HA LYS 94 10.182 -3.272 3.048 699 1HB LYS 94 2HB LYS 94 12.322 -3.428 5.174 700 2HB LYS 94 3HB LYS 94 11.044 -4.641 5.154 701 1HG LYS 94 2HG LYS 94 12.928 -5.471 3.914 702 2HG LYS 94 3HG LYS 94 11.524 -5.265 2.861 703 1HD LYS 94 2HD LYS 94 12.477 -3.142 1.998 704 2HD LYS 94 3HD LYS 94 13.884 -3.336 3.060 705 1HE LYS 94 2HE LYS 94 14.545 -5.386 1.883 706 2HE LYS 94 3HE LYS 94 13.058 -5.347 0.915 707 1HZ LYS 94 1HZ LYS 94 13.731 -3.441 -0.172 708 2HZ LYS 94 2HZ LYS 94 14.944 -3.083 0.747 709 3HZ LYS 94 3HZ LYS 94 15.051 -4.426 -0.248 710 H ARG 95 H ARG 95 10.257 -1.212 5.923 711 HA ARG 95 HA ARG 95 7.860 -2.475 7.094 712 1HB ARG 95 2HB ARG 95 9.607 -0.138 7.717 713 2HB ARG 95 3HB ARG 95 7.960 -0.039 8.290 714 1HG ARG 95 2HG ARG 95 9.455 -2.635 8.775 715 2HG ARG 95 3HG ARG 95 9.943 -1.210 9.667 716 1HD ARG 95 2HD ARG 95 7.376 -0.909 10.177 717 2HD ARG 95 3HD ARG 95 7.268 -2.630 9.748 718 HE ARG 95 HE ARG 95 9.365 -2.496 11.542 719 1HH1 ARG 95 2HH2 ARG 95 5.964 -1.574 11.645 720 2HH1 ARG 95 1HH2 ARG 95 5.866 -1.466 13.372 721 1HH2 ARG 95 2HH1 ARG 95 9.293 -2.337 13.855 722 2HH2 ARG 95 1HH1 ARG 95 7.803 -1.972 14.657 723 H LEU 96 H LEU 96 8.358 0.816 5.772 724 HA LEU 96 HA LEU 96 5.674 1.590 5.657 725 1HB LEU 96 2HB LEU 96 7.945 2.525 3.958 726 2HB LEU 96 3HB LEU 96 6.336 3.236 4.068 727 HG LEU 96 HG LEU 96 8.365 3.057 6.365 728 1HD1 LEU 96 1HD1 LEU 96 8.137 5.531 6.239 729 2HD1 LEU 96 2HD1 LEU 96 8.754 4.822 4.737 730 3HD1 LEU 96 3HD1 LEU 96 7.049 5.332 4.845 731 1HD2 LEU 96 1HD2 LEU 96 6.650 4.408 7.639 732 2HD2 LEU 96 2HD2 LEU 96 5.452 3.898 6.432 733 3HD2 LEU 96 3HD2 LEU 96 6.273 2.700 7.461 734 H ASN 97 H ASN 97 7.611 -0.221 3.325 735 HA ASN 97 HA ASN 97 6.327 -0.704 1.082 736 1HB ASN 97 2HB ASN 97 7.924 -2.234 2.829 737 2HB ASN 97 3HB ASN 97 6.561 -3.245 2.620 738 1HD2 ASN 97 1HD2 ASN 97 9.044 -1.407 0.905 739 2HD2 ASN 97 2HD2 ASN 97 9.141 -2.454 -0.510 740 H LYS 98 H LYS 98 5.069 -1.939 4.207 741 HA LYS 98 HA LYS 98 2.373 -1.895 3.299 742 1HB LYS 98 2HB LYS 98 1.805 -4.274 3.548 743 2HB LYS 98 3HB LYS 98 2.622 -3.815 2.062 744 1HG LYS 98 2HG LYS 98 4.497 -4.602 4.205 745 2HG LYS 98 3HG LYS 98 3.360 -5.881 3.811 746 1HD LYS 98 2HD LYS 98 4.011 -5.922 1.491 747 2HD LYS 98 3HD LYS 98 4.857 -4.381 1.620 748 1HE LYS 98 2HE LYS 98 6.439 -5.362 3.237 749 2HE LYS 98 3HE LYS 98 5.638 -6.932 3.097 750 1HZ LYS 98 1HZ LYS 98 6.975 -5.497 0.878 751 2HZ LYS 98 2HZ LYS 98 7.619 -6.769 1.702 752 3HZ LYS 98 3HZ LYS 98 6.286 -6.988 0.767 753 H ILE 99 H ILE 99 2.871 -0.494 5.256 754 HA ILE 99 HA ILE 99 2.763 -1.758 7.871 755 HB ILE 99 HB ILE 99 1.831 0.962 6.889 756 1HG1 ILE 99 2HG1 ILE 99 4.265 0.489 6.778 757 2HG1 ILE 99 3HG1 ILE 99 3.824 1.853 7.809 758 1HG2 ILE 99 1HG2 ILE 99 1.861 1.599 9.331 759 2HG2 ILE 99 2HG2 ILE 99 0.530 0.542 8.855 760 3HG2 ILE 99 3HG2 ILE 99 1.919 -0.135 9.724 761 1HD1 ILE 99 1HD1 ILE 99 4.638 -0.932 8.770 762 2HD1 ILE 99 2HD1 ILE 99 5.618 0.538 8.805 763 3HD1 ILE 99 3HD1 ILE 99 4.177 0.430 9.821 764 H GLU 100 H GLU 100 0.133 -0.182 6.045 765 HA GLU 100 HA GLU 100 -1.538 -2.582 6.382 766 1HB GLU 100 2HB GLU 100 -2.276 0.148 7.502 767 2HB GLU 100 3HB GLU 100 -3.497 -1.036 6.967 768 1HG GLU 100 2HG GLU 100 -2.428 -2.717 8.533 769 2HG GLU 100 3HG GLU 100 -1.459 -1.386 9.189 770 H GLY 101 H GLY 101 -2.969 0.472 5.407 771 1HA GLY 101 2HA GLY 101 -3.481 -0.694 2.791 772 2HA GLY 101 3HA GLY 101 -4.121 0.823 3.453 773 H VAL 102 H VAL 102 -0.896 -0.526 2.746 774 HA VAL 102 HA VAL 102 -0.144 1.945 1.231 775 HB VAL 102 HB VAL 102 1.716 0.045 2.661 776 1HG1 VAL 102 1HG1 VAL 102 3.209 2.184 2.272 777 2HG1 VAL 102 2HG1 VAL 102 2.916 1.057 0.931 778 3HG1 VAL 102 3HG1 VAL 102 2.027 2.586 1.049 779 1HG2 VAL 102 1HG2 VAL 102 2.051 1.766 4.342 780 2HG2 VAL 102 2HG2 VAL 102 0.838 2.804 3.586 781 3HG2 VAL 102 3HG2 VAL 102 0.354 1.275 4.339 782 H ALA 103 H ALA 103 0.122 1.688 -0.868 783 HA ALA 103 HA ALA 103 -0.074 -0.964 -2.089 784 1HB ALA 103 1HB ALA 103 -1.133 0.978 -3.172 785 2HB ALA 103 2HB ALA 103 0.438 1.788 -3.308 786 3HB ALA 103 3HB ALA 103 0.136 0.284 -4.194 787 H ASN 104 H ASN 104 2.305 1.704 -1.738 788 HA ASN 104 HA ASN 104 4.581 -0.138 -1.844 789 1HB ASN 104 2HB ASN 104 4.371 2.023 -3.984 790 2HB ASN 104 3HB ASN 104 5.705 0.900 -3.750 791 1HD2 ASN 104 1HD2 ASN 104 2.953 1.489 -5.563 792 2HD2 ASN 104 2HD2 ASN 104 2.547 -0.135 -6.069 793 H ALA 105 H ALA 105 6.643 1.404 -1.932 794 HA ALA 105 HA ALA 105 6.419 3.964 -0.775 795 1HB ALA 105 1HB ALA 105 7.121 3.547 1.548 796 2HB ALA 105 2HB ALA 105 5.564 2.777 1.226 797 3HB ALA 105 3HB ALA 105 7.040 1.797 1.261 798 HA PRO 106 HA PRO 106 10.691 2.619 -2.114 799 1HB PRO 106 2HB PRO 106 11.121 4.325 -4.208 800 2HB PRO 106 3HB PRO 106 10.241 2.776 -4.362 801 1HG PRO 106 2HG PRO 106 9.071 5.536 -3.985 802 2HG PRO 106 3HG PRO 106 8.601 4.318 -5.206 803 1HD PRO 106 2HD PRO 106 7.202 4.611 -2.891 804 2HD PRO 106 3HD PRO 106 7.496 2.991 -3.576 805 H VAL 107 H VAL 107 12.560 3.534 -1.389 806 HA VAL 107 HA VAL 107 12.446 6.214 -0.107 807 HB VAL 107 HB VAL 107 14.184 3.827 0.610 808 1HG1 VAL 107 1HG1 VAL 107 14.507 5.118 2.735 809 2HG1 VAL 107 2HG1 VAL 107 15.164 5.953 1.324 810 3HG1 VAL 107 3HG1 VAL 107 13.615 6.470 2.018 811 1HG2 VAL 107 1HG2 VAL 107 11.829 3.250 1.090 812 2HG2 VAL 107 2HG2 VAL 107 12.724 3.539 2.583 813 3HG2 VAL 107 3HG2 VAL 107 11.627 4.780 1.964 814 H ASN 108 H ASN 108 14.134 7.671 -0.544 815 HA ASN 108 HA ASN 108 16.091 6.863 -2.664 816 1HB ASN 108 2HB ASN 108 14.812 9.528 -1.973 817 2HB ASN 108 3HB ASN 108 16.198 9.318 -3.051 818 1HD2 ASN 108 1HD2 ASN 108 15.061 10.203 -4.878 819 2HD2 ASN 108 2HD2 ASN 108 13.819 9.254 -5.677 820 H PHE 109 H PHE 109 18.194 7.401 -2.365 821 HA PHE 109 HA PHE 109 19.038 8.291 0.337 822 1HB PHE 109 2HB PHE 109 19.880 6.205 -1.480 823 2HB PHE 109 3HB PHE 109 21.202 7.336 -1.333 824 HD1 PHE 109 1HD PHE 109 19.426 4.649 0.272 825 HD2 PHE 109 2HD PHE 109 21.905 8.094 1.046 826 HE1 PHE 109 1HE PHE 109 19.906 3.795 2.514 827 HE2 PHE 109 2HE PHE 109 22.283 7.298 3.348 828 HZ PHE 109 HZ PHE 109 21.353 5.111 4.092 829 H ALA 110 H ALA 110 18.424 9.780 -2.491 830 HA ALA 110 HA ALA 110 20.882 11.501 -2.514 831 1HB ALA 110 1HB ALA 110 20.495 10.138 -4.540 832 2HB ALA 110 2HB ALA 110 18.879 10.865 -4.713 833 3HB ALA 110 3HB ALA 110 20.334 11.876 -4.869 834 H LEU 111 H LEU 111 17.483 11.476 -1.943 835 HA LEU 111 HA LEU 111 17.323 14.468 -1.996 836 1HB LEU 111 2HB LEU 111 15.054 12.470 -1.972 837 2HB LEU 111 3HB LEU 111 14.949 14.207 -2.264 838 HG LEU 111 HG LEU 111 16.135 12.086 -4.121 839 1HD1 LEU 111 1HD1 LEU 111 13.652 13.835 -4.362 840 2HD1 LEU 111 2HD1 LEU 111 14.224 12.655 -5.560 841 3HD1 LEU 111 3HD1 LEU 111 13.666 12.105 -3.968 842 1HD2 LEU 111 1HD2 LEU 111 15.867 15.110 -4.515 843 2HD2 LEU 111 2HD2 LEU 111 17.391 14.207 -4.400 844 3HD2 LEU 111 3HD2 LEU 111 16.318 13.949 -5.782 845 H GLU 112 H GLU 112 17.782 11.821 0.029 846 HA GLU 112 HA GLU 112 16.950 10.967 1.892 847 1HB GLU 112 2HB GLU 112 17.275 13.930 2.586 848 2HB GLU 112 3HB GLU 112 17.135 12.645 3.778 849 1HG GLU 112 2HG GLU 112 19.426 12.787 3.578 850 2HG GLU 112 3HG GLU 112 19.121 11.503 2.410 851 H THR 113 H THR 113 14.934 10.842 0.378 852 HA THR 113 HA THR 113 12.607 11.574 2.074 853 HB THR 113 HB THR 113 11.206 12.131 0.209 854 HG1 THR 113 1HG THR 113 13.502 11.502 -1.299 855 1HG2 THR 113 1HG2 THR 113 12.094 14.250 -0.465 856 2HG2 THR 113 2HG2 THR 113 12.664 13.972 1.198 857 3HG2 THR 113 3HG2 THR 113 13.755 13.722 -0.176 858 H VAL 114 H VAL 114 10.830 10.256 1.905 859 HA VAL 114 HA VAL 114 11.068 7.775 0.306 860 HB VAL 114 HB VAL 114 11.183 7.020 2.583 861 1HG1 VAL 114 1HG1 VAL 114 8.623 8.552 3.206 862 2HG1 VAL 114 2HG1 VAL 114 9.538 7.503 4.299 863 3HG1 VAL 114 3HG1 VAL 114 10.243 9.030 3.756 864 1HG2 VAL 114 1HG2 VAL 114 9.680 5.794 0.980 865 2HG2 VAL 114 2HG2 VAL 114 9.290 5.561 2.683 866 3HG2 VAL 114 3HG2 VAL 114 8.299 6.646 1.699 867 H THR 115 H THR 115 9.511 7.557 -1.147 868 HA THR 115 HA THR 115 7.163 9.396 -1.061 869 HB THR 115 HB THR 115 8.003 7.371 -3.170 870 HG1 THR 115 1HG THR 115 8.604 9.340 -4.298 871 1HG2 THR 115 1HG2 THR 115 6.388 8.611 -4.584 872 2HG2 THR 115 2HG2 THR 115 5.582 7.936 -3.157 873 3HG2 THR 115 3HG2 THR 115 5.988 9.665 -3.211 874 H VAL 116 H VAL 116 5.340 8.475 -0.127 875 HA VAL 116 HA VAL 116 5.274 5.513 0.291 876 HB VAL 116 HB VAL 116 5.586 6.686 2.384 877 1HG1 VAL 116 1HG1 VAL 116 3.969 8.142 3.327 878 2HG1 VAL 116 2HG1 VAL 116 4.393 8.830 1.751 879 3HG1 VAL 116 3HG1 VAL 116 2.859 7.964 1.966 880 1HG2 VAL 116 1HG2 VAL 116 3.721 5.642 3.572 881 2HG2 VAL 116 2HG2 VAL 116 2.808 5.487 2.062 882 3HG2 VAL 116 3HG2 VAL 116 4.312 4.570 2.294 883 H GLU 117 H GLU 117 3.758 4.544 -0.884 884 HA GLU 117 HA GLU 117 1.735 6.238 -2.252 885 1HB GLU 117 2HB GLU 117 3.582 4.878 -3.527 886 2HB GLU 117 3HB GLU 117 2.694 3.447 -3.009 887 1HG GLU 117 2HG GLU 117 0.622 4.765 -4.024 888 2HG GLU 117 3HG GLU 117 1.911 5.624 -4.906 889 H TYR 118 H TYR 118 0.049 6.203 -0.742 890 HA TYR 118 HA TYR 118 -0.982 3.567 0.103 891 1HB TYR 118 2HB TYR 118 -0.703 3.872 2.376 892 2HB TYR 118 3HB TYR 118 0.859 4.385 1.753 893 HD1 TYR 118 HD1 TYR 118 0.636 7.188 1.078 894 HD2 TYR 118 HD2 TYR 118 -1.388 5.019 4.208 895 HE1 TYR 118 HE1 TYR 118 0.413 9.271 2.393 896 HE2 TYR 118 HE2 TYR 118 -1.479 7.076 5.570 897 HH TYR 118 HH TYR 118 -0.449 9.183 5.785 898 H ASN 119 H ASN 119 -2.972 3.718 1.420 899 HA ASN 119 HA ASN 119 -4.704 5.615 0.028 900 1HB ASN 119 2HB ASN 119 -5.464 3.336 0.285 901 2HB ASN 119 3HB ASN 119 -5.379 3.475 2.051 902 1HD2 ASN 119 1HD2 ASN 119 -7.947 2.901 1.763 903 2HD2 ASN 119 2HD2 ASN 119 -8.910 4.284 1.416 904 HA PRO 120 HA PRO 120 -4.053 8.312 3.640 905 1HB PRO 120 2HB PRO 120 -4.962 10.655 2.665 906 2HB PRO 120 3HB PRO 120 -3.471 9.917 2.013 907 1HG PRO 120 2HG PRO 120 -6.281 9.663 0.873 908 2HG PRO 120 3HG PRO 120 -4.808 10.209 0.016 909 1HD PRO 120 2HD PRO 120 -5.646 7.627 -0.084 910 2HD PRO 120 3HD PRO 120 -3.919 8.057 -0.026 911 H LYS 121 H LYS 121 -6.761 6.751 2.531 912 HA LYS 121 HA LYS 121 -8.615 8.185 4.409 913 1HB LYS 121 2HB LYS 121 -9.234 5.869 2.580 914 2HB LYS 121 3HB LYS 121 -10.360 6.874 3.492 915 1HG LYS 121 2HG LYS 121 -8.631 7.787 1.141 916 2HG LYS 121 3HG LYS 121 -10.355 7.418 1.116 917 1HD LYS 121 2HD LYS 121 -10.680 9.228 2.872 918 2HD LYS 121 3HD LYS 121 -8.966 9.657 2.654 919 1HE LYS 121 2HE LYS 121 -9.391 10.071 0.223 920 2HE LYS 121 3HE LYS 121 -11.099 9.659 0.454 921 1HZ LYS 121 1HZ LYS 121 -11.282 11.525 1.955 922 2HZ LYS 121 2HZ LYS 121 -9.698 11.917 1.724 923 3HZ LYS 121 3HZ LYS 121 -10.763 12.014 0.474 924 H GLU 122 H GLU 122 -7.506 4.823 3.687 925 HA GLU 122 HA GLU 122 -8.357 3.735 6.119 926 1HB GLU 122 2HB GLU 122 -6.408 2.913 4.009 927 2HB GLU 122 3HB GLU 122 -6.100 2.242 5.606 928 1HG GLU 122 2HG GLU 122 -7.431 0.711 4.339 929 2HG GLU 122 3HG GLU 122 -8.342 1.267 5.726 930 H ALA 123 H ALA 123 -5.206 5.276 5.328 931 HA ALA 123 HA ALA 123 -4.589 5.394 8.258 932 1HB ALA 123 1HB ALA 123 -2.690 4.659 6.003 933 2HB ALA 123 2HB ALA 123 -2.226 4.922 7.698 934 3HB ALA 123 3HB ALA 123 -3.282 3.569 7.267 935 H SER 124 H SER 124 -2.550 7.011 8.411 936 HA SER 124 HA SER 124 -2.915 9.341 6.656 937 1HB SER 124 2HB SER 124 -3.571 10.832 8.490 938 2HB SER 124 3HB SER 124 -4.771 9.546 8.313 939 HG SER 124 HG SER 124 -3.828 8.484 10.067 940 H VAL 125 H VAL 125 -1.421 11.153 7.438 941 HA VAL 125 HA VAL 125 1.210 10.314 7.651 942 HB VAL 125 HB VAL 125 0.089 12.943 8.724 943 1HG1 VAL 125 1HG1 VAL 125 2.451 12.624 9.271 944 2HG1 VAL 125 2HG1 VAL 125 2.806 12.115 7.614 945 3HG1 VAL 125 3HG1 VAL 125 2.325 13.792 7.958 946 1HG2 VAL 125 1HG2 VAL 125 0.652 13.738 6.337 947 2HG2 VAL 125 2HG2 VAL 125 0.669 12.019 5.888 948 3HG2 VAL 125 3HG2 VAL 125 -0.810 12.772 6.506 949 H SER 126 H SER 126 -1.121 10.813 10.293 950 HA SER 126 HA SER 126 0.782 10.740 12.436 951 1HB SER 126 2HB SER 126 -2.149 9.889 12.402 952 2HB SER 126 3HB SER 126 -1.145 10.147 13.839 953 HG SER 126 HG SER 126 -1.974 12.062 11.922 954 H ASP 127 H ASP 127 -0.826 8.128 10.562 955 HA ASP 127 HA ASP 127 -0.033 5.952 12.292 956 1HB ASP 127 2HB ASP 127 -1.800 5.610 10.654 957 2HB ASP 127 3HB ASP 127 -0.720 6.072 9.322 958 H LEU 128 H LEU 128 1.283 7.472 9.386 959 HA LEU 128 HA LEU 128 3.586 5.832 9.086 960 1HB LEU 128 2HB LEU 128 3.035 8.681 8.220 961 2HB LEU 128 3HB LEU 128 4.462 7.776 7.724 962 HG LEU 128 HG LEU 128 1.608 6.813 7.245 963 1HD1 LEU 128 1HD1 LEU 128 2.100 7.549 4.876 964 2HD1 LEU 128 2HD1 LEU 128 1.968 8.885 6.039 965 3HD1 LEU 128 3HD1 LEU 128 3.569 8.338 5.510 966 1HD2 LEU 128 1HD2 LEU 128 3.281 4.962 7.167 967 2HD2 LEU 128 2HD2 LEU 128 2.651 5.329 5.573 968 3HD2 LEU 128 3HD2 LEU 128 4.263 5.922 6.035 969 H LYS 129 H LYS 129 3.163 8.956 10.769 970 HA LYS 129 HA LYS 129 5.854 9.081 11.728 971 1HB LYS 129 2HB LYS 129 3.298 10.362 12.699 972 2HB LYS 129 3HB LYS 129 4.884 10.642 13.456 973 1HG LYS 129 2HG LYS 129 5.790 11.183 11.125 974 2HG LYS 129 3HG LYS 129 4.135 11.191 10.542 975 1HD LYS 129 2HD LYS 129 5.427 13.069 12.585 976 2HD LYS 129 3HD LYS 129 5.001 13.414 10.913 977 1HE LYS 129 2HE LYS 129 3.255 14.420 12.037 978 2HE LYS 129 3HE LYS 129 2.552 12.872 11.556 979 1HZ LYS 129 1HZ LYS 129 3.621 13.548 14.222 980 2HZ LYS 129 2HZ LYS 129 2.037 13.334 13.826 981 3HZ LYS 129 3HZ LYS 129 3.076 12.059 13.796 982 H GLU 130 H GLU 130 2.893 7.618 13.219 983 HA GLU 130 HA GLU 130 4.203 6.705 15.566 984 1HB GLU 130 2HB GLU 130 1.706 6.055 14.099 985 2HB GLU 130 3HB GLU 130 2.378 4.671 14.942 986 1HG GLU 130 2HG GLU 130 1.887 7.376 16.261 987 2HG GLU 130 3HG GLU 130 0.765 6.006 16.317 988 H ALA 131 H ALA 131 3.967 5.174 12.355 989 HA ALA 131 HA ALA 131 5.257 2.746 13.026 990 1HB ALA 131 1HB ALA 131 3.923 3.061 10.985 991 2HB ALA 131 2HB ALA 131 5.139 4.177 10.335 992 3HB ALA 131 3HB ALA 131 5.556 2.476 10.604 993 H VAL 132 H VAL 132 6.666 5.756 11.498 994 HA VAL 132 HA VAL 132 9.241 4.564 11.402 995 HB VAL 132 HB VAL 132 8.211 6.388 9.945 996 1HG1 VAL 132 1HG1 VAL 132 8.455 8.705 10.647 997 2HG1 VAL 132 2HG1 VAL 132 7.625 7.842 11.906 998 3HG1 VAL 132 3HG1 VAL 132 9.338 8.240 12.107 999 1HG2 VAL 132 1HG2 VAL 132 10.588 5.511 9.944 1000 2HG2 VAL 132 2HG2 VAL 132 10.408 7.132 9.301 1001 3HG2 VAL 132 3HG2 VAL 132 11.028 6.905 10.953 1002 H ASP 133 H ASP 133 7.545 6.606 13.802 1003 HA ASP 133 HA ASP 133 9.725 7.085 15.477 1004 1HB ASP 133 2HB ASP 133 6.733 6.708 15.984 1005 2HB ASP 133 3HB ASP 133 7.886 7.114 17.240 1006 H LYS 134 H LYS 134 7.515 4.305 15.080 1007 HA LYS 134 HA LYS 134 8.661 2.724 17.197 1008 1HB LYS 134 2HB LYS 134 6.496 2.392 15.332 1009 2HB LYS 134 3HB LYS 134 7.637 1.103 15.019 1010 1HG LYS 134 2HG LYS 134 6.335 0.122 16.599 1011 2HG LYS 134 3HG LYS 134 7.602 0.757 17.637 1012 1HD LYS 134 2HD LYS 134 4.784 1.890 17.157 1013 2HD LYS 134 3HD LYS 134 5.390 1.069 18.587 1014 1HE LYS 134 2HE LYS 134 5.494 3.191 19.363 1015 2HE LYS 134 3HE LYS 134 7.119 3.101 18.698 1016 1HZ LYS 134 1HZ LYS 134 6.016 4.195 16.639 1017 2HZ LYS 134 2HZ LYS 134 4.694 4.335 17.554 1018 3HZ LYS 134 3HZ LYS 134 6.041 5.125 18.001 1019 H LEU 135 H LEU 135 9.545 3.120 13.763 1020 HA LEU 135 HA LEU 135 11.733 1.202 13.918 1021 1HB LEU 135 2HB LEU 135 11.128 3.512 12.038 1022 2HB LEU 135 3HB LEU 135 12.678 2.710 12.019 1023 HG LEU 135 HG LEU 135 11.318 1.831 10.297 1024 1HD1 LEU 135 1HD1 LEU 135 11.549 -0.378 12.360 1025 2HD1 LEU 135 2HD1 LEU 135 11.768 -0.457 10.606 1026 3HD1 LEU 135 3HD1 LEU 135 12.962 0.384 11.595 1027 1HD2 LEU 135 1HD2 LEU 135 9.258 0.601 10.660 1028 2HD2 LEU 135 2HD2 LEU 135 9.346 0.874 12.409 1029 3HD2 LEU 135 3HD2 LEU 135 9.110 2.230 11.277 1030 H GLY 136 H GLY 136 11.342 4.400 15.228 1031 1HA GLY 136 2HA GLY 136 12.720 5.479 16.700 1032 2HA GLY 136 3HA GLY 136 13.968 4.245 16.477 1033 H TYR 137 H TYR 137 12.421 6.051 13.822 1034 HA TYR 137 HA TYR 137 14.832 7.817 13.582 1035 1HB TYR 137 2HB TYR 137 13.245 6.901 11.189 1036 2HB TYR 137 3HB TYR 137 14.792 7.744 11.222 1037 HD1 TYR 137 HD1 TYR 137 16.431 6.114 13.072 1038 HD2 TYR 137 HD2 TYR 137 13.651 4.909 10.016 1039 HE1 TYR 137 HE1 TYR 137 17.177 3.774 13.322 1040 HE2 TYR 137 HE2 TYR 137 14.562 2.598 10.109 1041 HH TYR 137 HH TYR 137 16.619 1.570 12.788 1042 H LYS 138 H LYS 138 13.392 9.393 11.439 1043 HA LYS 138 HA LYS 138 10.860 10.113 12.673 1044 1HB LYS 138 2HB LYS 138 11.510 12.523 12.847 1045 2HB LYS 138 3HB LYS 138 12.216 11.497 14.092 1046 1HG LYS 138 2HG LYS 138 13.888 11.787 11.641 1047 2HG LYS 138 3HG LYS 138 13.579 13.295 12.477 1048 1HD LYS 138 2HD LYS 138 14.475 10.865 14.062 1049 2HD LYS 138 3HD LYS 138 15.674 11.708 13.096 1050 1HE LYS 138 2HE LYS 138 13.898 13.083 15.172 1051 2HE LYS 138 3HE LYS 138 15.516 12.454 15.515 1052 1HZ LYS 138 1HZ LYS 138 16.404 13.974 13.869 1053 2HZ LYS 138 2HZ LYS 138 14.943 14.555 13.504 1054 3HZ LYS 138 3HZ LYS 138 15.553 14.814 14.996 1055 H LEU 139 H LEU 139 9.598 11.358 11.251 1056 HA LEU 139 HA LEU 139 10.660 11.674 8.492 1057 1HB LEU 139 2HB LEU 139 7.897 10.874 9.414 1058 2HB LEU 139 3HB LEU 139 8.223 11.482 7.791 1059 HG LEU 139 HG LEU 139 9.647 9.084 8.958 1060 1HD1 LEU 139 1HD1 LEU 139 7.156 8.732 8.760 1061 2HD1 LEU 139 2HD1 LEU 139 7.268 9.213 7.056 1062 3HD1 LEU 139 3HD1 LEU 139 8.067 7.723 7.617 1063 1HD2 LEU 139 1HD2 LEU 139 10.869 10.049 7.091 1064 2HD2 LEU 139 2HD2 LEU 139 10.158 8.489 6.663 1065 3HD2 LEU 139 3HD2 LEU 139 9.414 9.993 6.080 1066 H LYS 140 H LYS 140 9.920 13.445 7.397 1067 HA LYS 140 HA LYS 140 8.631 15.714 8.849 1068 1HB LYS 140 2HB LYS 140 11.085 15.548 7.060 1069 2HB LYS 140 3HB LYS 140 10.205 17.066 7.250 1070 1HG LYS 140 2HG LYS 140 11.043 15.559 9.741 1071 2HG LYS 140 3HG LYS 140 12.308 16.319 8.788 1072 1HD LYS 140 2HD LYS 140 9.825 17.889 9.555 1073 2HD LYS 140 3HD LYS 140 11.161 17.672 10.710 1074 1HE LYS 140 2HE LYS 140 12.768 18.710 9.311 1075 2HE LYS 140 3HE LYS 140 11.719 18.682 7.889 1076 1HZ LYS 140 1HZ LYS 140 11.862 20.852 8.889 1077 2HZ LYS 140 2HZ LYS 140 10.314 20.296 8.920 1078 3HZ LYS 140 3HZ LYS 140 11.223 20.294 10.299 1079 H LEU 141 H LEU 141 7.317 17.003 7.376 1080 HA LEU 141 HA LEU 141 6.120 15.365 5.244 1081 1HB LEU 141 2HB LEU 141 5.289 18.074 6.361 1082 2HB LEU 141 3HB LEU 141 4.373 16.983 5.329 1083 HG LEU 141 HG LEU 141 4.616 15.254 7.300 1084 1HD1 LEU 141 1HD1 LEU 141 6.135 16.343 8.848 1085 2HD1 LEU 141 2HD1 LEU 141 5.230 17.872 8.743 1086 3HD1 LEU 141 3HD1 LEU 141 4.538 16.455 9.548 1087 1HD2 LEU 141 1HD2 LEU 141 2.574 16.207 8.351 1088 2HD2 LEU 141 2HD2 LEU 141 2.870 17.739 7.502 1089 3HD2 LEU 141 3HD2 LEU 141 2.503 16.261 6.587 1090 H LYS 142 H LYS 142 6.499 15.732 3.019 1091 HA LYS 142 HA LYS 142 8.183 18.065 2.333 1092 1HB LYS 142 2HB LYS 142 7.949 15.496 1.287 1093 2HB LYS 142 3HB LYS 142 7.151 16.461 0.075 1094 1HG LYS 142 2HG LYS 142 9.462 16.337 -0.508 1095 2HG LYS 142 3HG LYS 142 9.122 17.993 -0.004 1096 1HD LYS 142 2HD LYS 142 9.854 16.548 2.363 1097 2HD LYS 142 3HD LYS 142 10.976 16.015 1.108 1098 1HE LYS 142 2HE LYS 142 11.746 18.285 0.696 1099 2HE LYS 142 3HE LYS 142 10.451 18.970 1.694 1100 1HZ LYS 142 1HZ LYS 142 12.527 18.973 2.869 1101 2HZ LYS 142 2HZ LYS 142 11.476 17.972 3.624 1102 3HZ LYS 142 3HZ LYS 142 12.710 17.362 2.789 1103 H GLY 143 H GLY 143 6.486 19.421 3.294 1104 1HA GLY 143 2HA GLY 143 5.132 21.227 2.765 1105 2HA GLY 143 3HA GLY 143 4.996 20.673 1.094 1106 H GLU 144 H GLU 144 3.923 18.076 1.484 1107 HA GLU 144 HA GLU 144 1.779 17.251 1.338 1108 1HB GLU 144 2HB GLU 144 2.169 17.861 4.283 1109 2HB GLU 144 3HB GLU 144 0.803 16.916 3.683 1110 1HG GLU 144 2HG GLU 144 3.675 16.126 3.024 1111 2HG GLU 144 3HG GLU 144 2.792 15.544 4.443 1112 H GLN 145 H GLN 145 1.547 19.508 0.219 1113 HA GLN 145 HA GLN 145 0.130 21.024 -0.556 1114 1HB GLN 145 2HB GLN 145 -1.517 19.117 0.169 1115 2HB GLN 145 3HB GLN 145 -2.005 20.307 1.392 1116 1HG GLN 145 2HG GLN 145 -2.411 21.953 -0.522 1117 2HG GLN 145 3HG GLN 145 -1.961 20.671 -1.652 1118 1HE2 GLN 145 1HE2 GLN 145 -4.316 21.521 0.926 1119 2HE2 GLN 145 2HE2 GLN 145 -5.614 20.542 0.257 1120 H ASP 146 H ASP 146 1.062 21.185 2.722 1121 HA ASP 146 HA ASP 146 -0.439 23.597 3.393 1122 1HB ASP 146 2HB ASP 146 -0.136 21.729 5.017 1123 2HB ASP 146 3HB ASP 146 1.616 21.983 4.964 1124 H SER 147 H SER 147 2.649 22.612 2.512 1125 HA SER 147 HA SER 147 3.556 25.466 2.204 1126 1HB SER 147 2HB SER 147 4.351 24.383 4.406 1127 2HB SER 147 3HB SER 147 5.468 23.446 3.388 1128 HG SER 147 HG SER 147 6.378 25.423 4.144 1129 H ILE 148 H ILE 148 2.629 23.545 0.222 1130 HA ILE 148 HA ILE 148 4.946 22.736 -1.323 1131 HB ILE 148 HB ILE 148 3.245 22.270 -3.054 1132 1HG1 ILE 148 2HG1 ILE 148 1.118 23.028 -1.021 1133 2HG1 ILE 148 3HG1 ILE 148 1.639 24.155 -2.258 1134 1HG2 ILE 148 1HG2 ILE 148 3.923 20.600 -1.417 1135 2HG2 ILE 148 2HG2 ILE 148 2.705 21.185 -0.274 1136 3HG2 ILE 148 3HG2 ILE 148 2.210 20.405 -1.796 1137 1HD1 ILE 148 1HD1 ILE 148 0.462 21.412 -2.847 1138 2HD1 ILE 148 2HD1 ILE 148 -0.355 22.978 -2.984 1139 3HD1 ILE 148 3HD1 ILE 148 1.018 22.602 -4.041 1140 H GLU 149 H GLU 149 5.730 25.230 -0.873 1141 HA GLU 149 HA GLU 149 5.867 26.224 -3.557 1142 1HB GLU 149 2HB GLU 149 3.747 27.399 -2.199 1143 2HB GLU 149 3HB GLU 149 5.064 28.505 -1.799 1144 1HG GLU 149 2HG GLU 149 5.550 28.461 -4.397 1145 2HG GLU 149 3HG GLU 149 3.969 27.694 -4.522 1146 H GLY 150 H GLY 150 7.124 28.612 -3.192 1147 1HA GLY 150 2HA GLY 150 9.189 28.441 -1.122 1148 2HA GLY 150 3HA GLY 150 9.737 28.025 -2.758 1149 H ARG 151 H ARG 151 8.026 30.499 -0.869 1150 HA ARG 151 HA ARG 151 8.654 32.665 -2.819 1151 1HB ARG 151 2HB ARG 151 6.889 32.496 -0.348 1152 2HB ARG 151 3HB ARG 151 7.184 33.993 -1.232 1153 1HG ARG 151 2HG ARG 151 6.324 31.678 -2.909 1154 2HG ARG 151 3HG ARG 151 5.121 32.194 -1.739 1155 1HD ARG 151 2HD ARG 151 6.410 34.391 -3.333 1156 2HD ARG 151 3HD ARG 151 5.476 33.247 -4.274 1157 HE ARG 151 HE ARG 151 4.461 35.238 -2.422 1158 1HH1 ARG 151 2HH2 ARG 151 3.799 32.054 -3.833 1159 2HH1 ARG 151 1HH2 ARG 151 2.150 32.015 -3.477 1160 1HH2 ARG 151 2HH1 ARG 151 2.135 35.403 -2.185 1161 2HH2 ARG 151 1HH1 ARG 151 1.125 34.096 -2.727 Start of MODEL 21 1 1H MET 1 H1 MET 1 10.895 -10.741 1.605 2 2H MET 1 H2 MET 1 10.315 -9.173 1.509 3 3H MET 1 H3 MET 1 11.023 -9.763 2.903 4 HA MET 1 HA MET 1 8.916 -10.150 3.535 5 1HB MET 1 2HB MET 1 8.211 -10.658 0.603 6 2HB MET 1 3HB MET 1 7.103 -10.671 1.974 7 1HG MET 1 2HG MET 1 6.804 -8.573 0.907 8 2HG MET 1 3HG MET 1 7.624 -8.287 2.438 9 1HE MET 1 1HE MET 1 7.838 -8.233 -1.469 10 2HE MET 1 2HE MET 1 9.547 -7.844 -1.750 11 3HE MET 1 3HE MET 1 9.097 -9.441 -1.121 12 H LEU 2 H LEU 2 7.476 -12.472 3.207 13 HA LEU 2 HA LEU 2 9.143 -14.624 2.305 14 1HB LEU 2 2HB LEU 2 9.636 -13.895 4.945 15 2HB LEU 2 3HB LEU 2 8.296 -14.997 5.165 16 HG LEU 2 HG LEU 2 9.854 -16.458 3.408 17 1HD1 LEU 2 1HD1 LEU 2 11.798 -14.870 5.150 18 2HD1 LEU 2 2HD1 LEU 2 12.212 -16.195 4.045 19 3HD1 LEU 2 3HD1 LEU 2 11.605 -14.659 3.397 20 1HD2 LEU 2 1HD2 LEU 2 8.987 -17.315 5.518 21 2HD2 LEU 2 2HD2 LEU 2 10.713 -17.677 5.366 22 3HD2 LEU 2 3HD2 LEU 2 10.174 -16.359 6.432 23 H SER 3 H SER 3 7.520 -16.611 3.805 24 HA SER 3 HA SER 3 4.993 -16.526 2.414 25 1HB SER 3 2HB SER 3 4.677 -18.511 4.091 26 2HB SER 3 3HB SER 3 5.958 -18.641 2.881 27 HG SER 3 HG SER 3 6.552 -19.101 5.156 28 H GLU 4 H GLU 4 3.133 -17.103 4.128 29 HA GLU 4 HA GLU 4 1.739 -16.603 5.726 30 1HB GLU 4 2HB GLU 4 3.666 -15.840 7.173 31 2HB GLU 4 3HB GLU 4 3.371 -14.208 6.530 32 1HG GLU 4 2HG GLU 4 2.235 -14.405 8.671 33 2HG GLU 4 3HG GLU 4 0.994 -14.386 7.407 34 H GLN 5 H GLN 5 -0.049 -15.965 4.787 35 HA GLN 5 HA GLN 5 -0.113 -14.231 2.561 36 1HB GLN 5 2HB GLN 5 -2.466 -15.016 4.360 37 2HB GLN 5 3HB GLN 5 -2.537 -14.444 2.686 38 1HG GLN 5 2HG GLN 5 -1.409 -17.087 3.680 39 2HG GLN 5 3HG GLN 5 -2.838 -16.839 2.678 40 1HE2 GLN 5 1HE2 GLN 5 -0.045 -18.243 2.279 41 2HE2 GLN 5 2HE2 GLN 5 0.635 -17.462 0.864 42 H LYS 6 H LYS 6 -0.071 -12.106 2.430 43 HA LYS 6 HA LYS 6 -0.314 -10.476 4.915 44 1HB LYS 6 2HB LYS 6 0.467 -8.650 3.583 45 2HB LYS 6 3HB LYS 6 1.443 -10.064 3.142 46 1HG LYS 6 2HG LYS 6 -0.470 -10.364 1.279 47 2HG LYS 6 3HG LYS 6 -0.789 -8.679 1.560 48 1HD LYS 6 2HD LYS 6 1.900 -9.960 0.924 49 2HD LYS 6 3HD LYS 6 0.840 -9.326 -0.307 50 1HE LYS 6 2HE LYS 6 2.119 -7.787 1.949 51 2HE LYS 6 3HE LYS 6 2.596 -7.676 0.238 52 1HZ LYS 6 1HZ LYS 6 0.350 -6.827 -0.216 53 2HZ LYS 6 2HZ LYS 6 0.034 -6.751 1.397 54 3HZ LYS 6 3HZ LYS 6 1.206 -5.810 0.735 55 H GLU 7 H GLU 7 -1.866 -8.654 4.888 56 HA GLU 7 HA GLU 7 -4.086 -8.914 2.931 57 1HB GLU 7 2HB GLU 7 -4.622 -9.245 5.453 58 2HB GLU 7 3HB GLU 7 -4.286 -7.520 5.623 59 1HG GLU 7 2HG GLU 7 -6.094 -8.055 3.338 60 2HG GLU 7 3HG GLU 7 -6.708 -8.771 4.839 61 H ILE 8 H ILE 8 -4.517 -7.007 1.815 62 HA ILE 8 HA ILE 8 -3.236 -4.511 2.811 63 HB ILE 8 HB ILE 8 -1.664 -5.134 1.116 64 1HG1 ILE 8 2HG1 ILE 8 -3.489 -3.042 -0.055 65 2HG1 ILE 8 3HG1 ILE 8 -2.306 -2.769 1.229 66 1HG2 ILE 8 1HG2 ILE 8 -3.987 -5.576 -0.793 67 2HG2 ILE 8 2HG2 ILE 8 -2.271 -5.610 -1.198 68 3HG2 ILE 8 3HG2 ILE 8 -2.914 -6.791 -0.063 69 1HD1 ILE 8 1HD1 ILE 8 -0.520 -3.603 -0.396 70 2HD1 ILE 8 2HD1 ILE 8 -1.766 -3.550 -1.670 71 3HD1 ILE 8 3HD1 ILE 8 -1.303 -2.074 -0.828 72 H ALA 9 H ALA 9 -5.087 -3.621 3.601 73 HA ALA 9 HA ALA 9 -7.532 -3.576 2.043 74 1HB ALA 9 1HB ALA 9 -8.401 -2.359 4.005 75 2HB ALA 9 2HB ALA 9 -7.583 -3.857 4.486 76 3HB ALA 9 3HB ALA 9 -6.766 -2.300 4.700 77 H MET 10 H MET 10 -8.015 -1.989 0.592 78 HA MET 10 HA MET 10 -6.970 0.763 0.954 79 1HB MET 10 2HB MET 10 -6.351 -0.979 -1.458 80 2HB MET 10 3HB MET 10 -6.252 0.777 -1.464 81 1HG MET 10 2HG MET 10 -4.611 0.589 0.522 82 2HG MET 10 3HG MET 10 -4.654 -1.155 0.267 83 1HE MET 10 1HE MET 10 -2.798 1.936 -2.529 84 2HE MET 10 2HE MET 10 -4.476 2.003 -1.979 85 3HE MET 10 3HE MET 10 -3.152 2.226 -0.810 86 H GLN 11 H GLN 11 -8.156 2.300 -0.539 87 HA GLN 11 HA GLN 11 -10.868 1.304 -1.255 88 1HB GLN 11 2HB GLN 11 -9.639 4.056 -1.016 89 2HB GLN 11 3HB GLN 11 -11.199 3.760 -1.809 90 1HG GLN 11 2HG GLN 11 -12.026 2.705 0.291 91 2HG GLN 11 3HG GLN 11 -10.509 3.080 1.084 92 1HE2 GLN 11 1HE2 GLN 11 -12.524 4.088 2.359 93 2HE2 GLN 11 2HE2 GLN 11 -12.798 5.796 2.031 94 H VAL 12 H VAL 12 -11.666 1.269 -3.391 95 HA VAL 12 HA VAL 12 -9.878 2.048 -5.563 96 HB VAL 12 HB VAL 12 -9.510 -0.377 -4.963 97 1HG1 VAL 12 1HG1 VAL 12 -12.378 -0.810 -5.933 98 2HG1 VAL 12 2HG1 VAL 12 -11.215 -2.041 -5.431 99 3HG1 VAL 12 3HG1 VAL 12 -11.876 -0.915 -4.232 100 1HG2 VAL 12 1HG2 VAL 12 -10.751 0.346 -7.604 101 2HG2 VAL 12 2HG2 VAL 12 -9.036 0.369 -7.150 102 3HG2 VAL 12 3HG2 VAL 12 -9.889 -1.186 -7.297 103 H SER 13 H SER 13 -11.053 2.826 -7.298 104 HA SER 13 HA SER 13 -13.984 3.174 -6.882 105 1HB SER 13 2HB SER 13 -12.235 4.545 -8.891 106 2HB SER 13 3HB SER 13 -13.791 5.073 -8.254 107 HG SER 13 HG SER 13 -12.591 5.143 -6.136 108 H GLY 14 H GLY 14 -15.324 3.097 -8.795 109 1HA GLY 14 2HA GLY 14 -15.742 2.337 -11.064 110 2HA GLY 14 3HA GLY 14 -14.481 1.110 -10.877 111 H MET 15 H MET 15 -15.673 1.067 -7.908 112 HA MET 15 HA MET 15 -17.197 -1.343 -8.269 113 1HB MET 15 2HB MET 15 -16.268 0.311 -5.991 114 2HB MET 15 3HB MET 15 -17.904 -0.297 -5.739 115 1HG MET 15 2HG MET 15 -17.057 -2.567 -6.485 116 2HG MET 15 3HG MET 15 -15.425 -1.940 -6.244 117 1HE MET 15 1HE MET 15 -15.786 -0.114 -3.567 118 2HE MET 15 2HE MET 15 -15.310 -1.387 -2.409 119 3HE MET 15 3HE MET 15 -14.462 -1.243 -3.958 120 H THR 16 H THR 16 -18.929 -1.229 -9.544 121 HA THR 16 HA THR 16 -21.112 0.644 -9.009 122 HB THR 16 HB THR 16 -21.082 -1.838 -10.777 123 HG1 THR 16 1HG THR 16 -19.402 -0.334 -11.301 124 1HG2 THR 16 1HG2 THR 16 -23.354 -0.984 -10.486 125 2HG2 THR 16 2HG2 THR 16 -22.800 0.674 -10.816 126 3HG2 THR 16 3HG2 THR 16 -22.755 -0.557 -12.093 127 H CYS 17 H CYS 17 -20.048 -2.251 -7.541 128 HA CYS 17 HA CYS 17 -20.818 -3.322 -5.707 129 1HB CYS 17 2HB CYS 17 -23.060 -1.252 -5.591 130 2HB CYS 17 3HB CYS 17 -22.597 -2.381 -4.324 131 HG CYS 17 HG CYS 17 -20.165 -1.551 -4.017 132 H ALA 18 H ALA 18 -21.756 -3.911 -8.458 133 HA ALA 18 HA ALA 18 -23.678 -6.038 -7.738 134 1HB ALA 18 1HB ALA 18 -24.055 -4.014 -10.004 135 2HB ALA 18 2HB ALA 18 -24.983 -5.517 -9.806 136 3HB ALA 18 3HB ALA 18 -25.110 -4.225 -8.592 137 H ALA 19 H ALA 19 -21.928 -7.460 -7.965 138 HA ALA 19 HA ALA 19 -20.461 -8.826 -8.964 139 1HB ALA 19 1HB ALA 19 -20.631 -9.308 -11.312 140 2HB ALA 19 2HB ALA 19 -22.269 -9.020 -10.685 141 3HB ALA 19 3HB ALA 19 -21.426 -7.755 -11.623 142 H CYS 20 H CYS 20 -20.188 -5.444 -9.724 143 HA CYS 20 HA CYS 20 -18.009 -5.388 -11.422 144 1HB CYS 20 2HB CYS 20 -19.723 -3.566 -10.091 145 2HB CYS 20 3HB CYS 20 -18.141 -3.162 -9.447 146 HG CYS 20 HG CYS 20 -17.034 -2.641 -11.707 147 H ALA 21 H ALA 21 -18.142 -5.335 -7.875 148 HA ALA 21 HA ALA 21 -15.303 -5.338 -7.422 149 1HB ALA 21 1HB ALA 21 -17.185 -4.736 -5.786 150 2HB ALA 21 2HB ALA 21 -17.419 -6.481 -5.568 151 3HB ALA 21 3HB ALA 21 -15.846 -5.726 -5.210 152 H ALA 22 H ALA 22 -17.821 -7.872 -7.577 153 HA ALA 22 HA ALA 22 -16.229 -10.090 -6.905 154 1HB ALA 22 1HB ALA 22 -18.736 -10.045 -6.994 155 2HB ALA 22 2HB ALA 22 -18.616 -10.141 -8.771 156 3HB ALA 22 3HB ALA 22 -17.989 -11.456 -7.767 157 H ARG 23 H ARG 23 -16.613 -8.445 -10.038 158 HA ARG 23 HA ARG 23 -15.350 -10.421 -11.607 159 1HB ARG 23 2HB ARG 23 -16.125 -7.561 -11.862 160 2HB ARG 23 3HB ARG 23 -14.624 -7.911 -12.700 161 1HG ARG 23 2HG ARG 23 -17.252 -9.407 -13.082 162 2HG ARG 23 3HG ARG 23 -16.536 -8.188 -14.149 163 1HD ARG 23 2HD ARG 23 -14.422 -9.921 -13.863 164 2HD ARG 23 3HD ARG 23 -15.764 -11.065 -13.728 165 HE ARG 23 HE ARG 23 -16.346 -9.431 -15.942 166 1HH1 ARG 23 2HH2 ARG 23 -13.823 -11.702 -15.027 167 2HH1 ARG 23 1HH2 ARG 23 -13.391 -12.146 -16.653 168 1HH2 ARG 23 2HH1 ARG 23 -15.773 -9.938 -18.125 169 2HH2 ARG 23 1HH1 ARG 23 -14.542 -11.108 -18.461 170 H ILE 24 H ILE 24 -14.028 -7.715 -9.653 171 HA ILE 24 HA ILE 24 -11.285 -8.232 -10.406 172 HB ILE 24 HB ILE 24 -12.563 -6.750 -8.088 173 1HG1 ILE 24 2HG1 ILE 24 -11.029 -5.398 -10.276 174 2HG1 ILE 24 3HG1 ILE 24 -12.529 -6.128 -10.813 175 1HG2 ILE 24 1HG2 ILE 24 -10.490 -5.696 -7.658 176 2HG2 ILE 24 2HG2 ILE 24 -10.349 -7.447 -7.431 177 3HG2 ILE 24 3HG2 ILE 24 -9.675 -6.676 -8.896 178 1HD1 ILE 24 1HD1 ILE 24 -12.293 -4.077 -8.608 179 2HD1 ILE 24 2HD1 ILE 24 -12.907 -3.906 -10.276 180 3HD1 ILE 24 3HD1 ILE 24 -13.800 -4.898 -9.105 181 H GLU 25 H GLU 25 -13.344 -9.123 -7.528 182 HA GLU 25 HA GLU 25 -11.335 -10.558 -6.222 183 1HB GLU 25 2HB GLU 25 -14.314 -11.168 -6.295 184 2HB GLU 25 3HB GLU 25 -13.168 -11.838 -5.130 185 1HG GLU 25 2HG GLU 25 -12.624 -9.623 -4.266 186 2HG GLU 25 3HG GLU 25 -13.692 -8.845 -5.440 187 H LYS 26 H LYS 26 -13.661 -11.819 -8.648 188 HA LYS 26 HA LYS 26 -12.648 -14.434 -8.677 189 1HB LYS 26 2HB LYS 26 -14.893 -13.472 -9.613 190 2HB LYS 26 3HB LYS 26 -13.961 -13.258 -11.110 191 1HG LYS 26 2HG LYS 26 -13.180 -15.750 -10.489 192 2HG LYS 26 3HG LYS 26 -14.671 -15.767 -9.555 193 1HD LYS 26 2HD LYS 26 -14.368 -15.321 -12.562 194 2HD LYS 26 3HD LYS 26 -14.975 -16.777 -11.749 195 1HE LYS 26 2HE LYS 26 -16.854 -15.323 -10.778 196 2HE LYS 26 3HE LYS 26 -16.311 -14.031 -11.861 197 1HZ LYS 26 1HZ LYS 26 -18.093 -15.278 -12.829 198 2HZ LYS 26 2HZ LYS 26 -16.736 -15.548 -13.715 199 3HZ LYS 26 3HZ LYS 26 -17.287 -16.696 -12.672 200 H GLY 27 H GLY 27 -11.913 -11.606 -10.762 201 1HA GLY 27 2HA GLY 27 -10.164 -12.890 -12.595 202 2HA GLY 27 3HA GLY 27 -10.209 -11.162 -12.201 203 H LEU 28 H LEU 28 -9.607 -11.385 -9.412 204 HA LEU 28 HA LEU 28 -6.729 -11.759 -9.515 205 1HB LEU 28 2HB LEU 28 -8.683 -10.743 -7.440 206 2HB LEU 28 3HB LEU 28 -7.058 -11.194 -6.965 207 HG LEU 28 HG LEU 28 -7.284 -8.744 -7.434 208 1HD1 LEU 28 1HD1 LEU 28 -5.231 -8.492 -8.602 209 2HD1 LEU 28 2HD1 LEU 28 -5.094 -9.939 -7.591 210 3HD1 LEU 28 3HD1 LEU 28 -5.335 -10.090 -9.346 211 1HD2 LEU 28 1HD2 LEU 28 -8.840 -8.686 -9.216 212 2HD2 LEU 28 2HD2 LEU 28 -7.347 -7.908 -9.697 213 3HD2 LEU 28 3HD2 LEU 28 -7.746 -9.533 -10.304 214 H LYS 29 H LYS 29 -9.482 -13.560 -8.069 215 HA LYS 29 HA LYS 29 -8.025 -15.577 -6.785 216 1HB LYS 29 2HB LYS 29 -10.761 -15.245 -7.737 217 2HB LYS 29 3HB LYS 29 -10.208 -16.841 -8.133 218 1HG LYS 29 2HG LYS 29 -11.156 -17.211 -6.159 219 2HG LYS 29 3HG LYS 29 -9.465 -17.101 -5.682 220 1HD LYS 29 2HD LYS 29 -9.818 -15.087 -4.494 221 2HD LYS 29 3HD LYS 29 -11.058 -14.549 -5.621 222 1HE LYS 29 2HE LYS 29 -12.308 -14.920 -3.708 223 2HE LYS 29 3HE LYS 29 -12.609 -16.339 -4.713 224 1HZ LYS 29 1HZ LYS 29 -10.997 -16.111 -2.246 225 2HZ LYS 29 2HZ LYS 29 -12.240 -17.050 -2.516 226 3HZ LYS 29 3HZ LYS 29 -10.805 -17.415 -3.249 227 H ARG 30 H ARG 30 -8.270 -15.006 -10.233 228 HA ARG 30 HA ARG 30 -7.445 -17.553 -11.178 229 1HB ARG 30 2HB ARG 30 -8.032 -15.066 -12.323 230 2HB ARG 30 3HB ARG 30 -6.308 -15.216 -12.609 231 1HG ARG 30 2HG ARG 30 -7.262 -16.169 -14.510 232 2HG ARG 30 3HG ARG 30 -6.886 -17.600 -13.532 233 1HD ARG 30 2HD ARG 30 -9.258 -17.603 -12.709 234 2HD ARG 30 3HD ARG 30 -9.576 -16.151 -13.690 235 HE ARG 30 HE ARG 30 -8.527 -18.224 -15.353 236 1HH1 ARG 30 2HH2 ARG 30 -11.425 -17.406 -13.552 237 2HH1 ARG 30 1HH2 ARG 30 -12.535 -18.238 -14.606 238 1HH2 ARG 30 2HH1 ARG 30 -9.961 -19.352 -16.802 239 2HH2 ARG 30 1HH1 ARG 30 -11.666 -19.370 -16.507 240 H MET 31 H MET 31 -5.594 -14.968 -9.616 241 HA MET 31 HA MET 31 -2.994 -15.823 -10.575 242 1HB MET 31 2HB MET 31 -3.863 -14.008 -8.300 243 2HB MET 31 3HB MET 31 -2.197 -14.178 -8.833 244 1HG MET 31 2HG MET 31 -4.423 -13.223 -10.681 245 2HG MET 31 3HG MET 31 -3.479 -12.160 -9.659 246 1HE MET 31 1HE MET 31 -2.447 -10.593 -11.433 247 2HE MET 31 2HE MET 31 -1.244 -11.154 -10.258 248 3HE MET 31 3HE MET 31 -0.826 -11.080 -11.980 249 HA PRO 32 HA PRO 32 -2.377 -19.001 -7.534 250 1HB PRO 32 2HB PRO 32 0.351 -19.023 -7.216 251 2HB PRO 32 3HB PRO 32 -0.482 -19.600 -8.681 252 1HG PRO 32 2HG PRO 32 0.782 -16.886 -8.233 253 2HG PRO 32 3HG PRO 32 0.976 -17.967 -9.637 254 1HD PRO 32 2HD PRO 32 -0.782 -15.894 -9.666 255 2HD PRO 32 3HD PRO 32 -1.197 -17.451 -10.441 256 H GLY 33 H GLY 33 -0.517 -15.935 -6.805 257 1HA GLY 33 2HA GLY 33 -0.127 -16.613 -4.070 258 2HA GLY 33 3HA GLY 33 0.073 -15.019 -4.809 259 H VAL 34 H VAL 34 -2.742 -15.047 -5.826 260 HA VAL 34 HA VAL 34 -4.033 -13.698 -3.665 261 HB VAL 34 HB VAL 34 -5.075 -14.740 -6.285 262 1HG1 VAL 34 1HG1 VAL 34 -6.451 -13.141 -4.077 263 2HG1 VAL 34 2HG1 VAL 34 -7.051 -13.235 -5.741 264 3HG1 VAL 34 3HG1 VAL 34 -6.970 -14.697 -4.763 265 1HG2 VAL 34 1HG2 VAL 34 -4.530 -11.916 -5.219 266 2HG2 VAL 34 2HG2 VAL 34 -3.419 -12.804 -6.277 267 3HG2 VAL 34 3HG2 VAL 34 -5.017 -12.342 -6.867 268 H THR 35 H THR 35 -4.435 -14.609 -1.815 269 HA THR 35 HA THR 35 -5.300 -17.417 -1.720 270 HB THR 35 HB THR 35 -4.677 -15.393 0.439 271 HG1 THR 35 1HG THR 35 -2.930 -16.370 -0.736 272 1HG2 THR 35 1HG2 THR 35 -6.465 -16.928 1.249 273 2HG2 THR 35 2HG2 THR 35 -5.519 -18.320 0.668 274 3HG2 THR 35 3HG2 THR 35 -4.918 -17.317 2.000 275 H ASP 36 H ASP 36 -6.523 -14.096 -0.731 276 HA ASP 36 HA ASP 36 -9.127 -14.938 -1.647 277 1HB ASP 36 2HB ASP 36 -8.883 -15.965 0.716 278 2HB ASP 36 3HB ASP 36 -9.001 -14.309 1.324 279 H ALA 37 H ALA 37 -9.530 -13.300 -2.885 280 HA ALA 37 HA ALA 37 -8.879 -10.543 -2.113 281 1HB ALA 37 1HB ALA 37 -8.583 -11.284 -4.442 282 2HB ALA 37 2HB ALA 37 -10.297 -11.739 -4.524 283 3HB ALA 37 3HB ALA 37 -9.838 -10.029 -4.334 284 H ASN 38 H ASN 38 -10.265 -9.379 -0.865 285 HA ASN 38 HA ASN 38 -13.156 -10.131 -0.731 286 1HB ASN 38 2HB ASN 38 -11.158 -9.349 1.430 287 2HB ASN 38 3HB ASN 38 -12.902 -9.175 1.636 288 1HD2 ASN 38 1HD2 ASN 38 -10.344 -11.670 0.866 289 2HD2 ASN 38 2HD2 ASN 38 -11.336 -12.991 1.482 290 H VAL 39 H VAL 39 -14.569 -8.312 -0.433 291 HA VAL 39 HA VAL 39 -13.452 -5.571 -0.582 292 HB VAL 39 HB VAL 39 -13.695 -6.500 -2.886 293 1HG1 VAL 39 1HG1 VAL 39 -16.678 -6.229 -2.782 294 2HG1 VAL 39 2HG1 VAL 39 -15.643 -7.281 -3.778 295 3HG1 VAL 39 3HG1 VAL 39 -15.993 -7.719 -2.122 296 1HG2 VAL 39 1HG2 VAL 39 -15.539 -4.175 -2.227 297 2HG2 VAL 39 2HG2 VAL 39 -13.775 -4.073 -2.353 298 3HG2 VAL 39 3HG2 VAL 39 -14.715 -4.494 -3.775 299 H ASN 40 H ASN 40 -14.177 -4.604 1.070 300 HA ASN 40 HA ASN 40 -16.794 -5.313 2.224 301 1HB ASN 40 2HB ASN 40 -14.509 -4.825 3.459 302 2HB ASN 40 3HB ASN 40 -14.950 -3.132 3.269 303 1HD2 ASN 40 1HD2 ASN 40 -17.397 -2.712 3.941 304 2HD2 ASN 40 2HD2 ASN 40 -17.982 -3.631 5.331 305 H LEU 41 H LEU 41 -17.593 -4.646 0.006 306 HA LEU 41 HA LEU 41 -17.531 -2.070 -0.989 307 1HB LEU 41 2HB LEU 41 -19.332 -2.634 -2.405 308 2HB LEU 41 3HB LEU 41 -18.442 -4.122 -2.109 309 HG LEU 41 HG LEU 41 -20.271 -4.391 -0.199 310 1HD1 LEU 41 1HD1 LEU 41 -21.270 -2.003 -1.192 311 2HD1 LEU 41 2HD1 LEU 41 -22.162 -3.162 -2.166 312 3HD1 LEU 41 3HD1 LEU 41 -22.256 -3.244 -0.402 313 1HD2 LEU 41 1HD2 LEU 41 -19.955 -5.967 -2.047 314 2HD2 LEU 41 2HD2 LEU 41 -21.685 -5.661 -1.805 315 3HD2 LEU 41 3HD2 LEU 41 -20.827 -4.883 -3.154 316 H ALA 42 H ALA 42 -19.294 -3.152 1.738 317 HA ALA 42 HA ALA 42 -21.335 -1.184 1.880 318 1HB ALA 42 1HB ALA 42 -21.308 -3.274 3.246 319 2HB ALA 42 2HB ALA 42 -19.910 -2.646 4.151 320 3HB ALA 42 3HB ALA 42 -21.477 -1.825 4.262 321 H THR 43 H THR 43 -17.892 -1.085 2.584 322 HA THR 43 HA THR 43 -18.114 1.766 3.426 323 HB THR 43 HB THR 43 -15.984 1.288 4.691 324 HG1 THR 43 1HG THR 43 -15.356 -0.605 3.668 325 1HG2 THR 43 1HG2 THR 43 -18.207 1.307 5.843 326 2HG2 THR 43 2HG2 THR 43 -18.346 -0.443 5.565 327 3HG2 THR 43 3HG2 THR 43 -17.046 0.189 6.590 328 H GLU 44 H GLU 44 -17.747 0.136 0.756 329 HA GLU 44 HA GLU 44 -16.405 0.025 -1.045 330 1HB GLU 44 2HB GLU 44 -16.304 2.960 -0.298 331 2HB GLU 44 3HB GLU 44 -15.612 2.355 -1.805 332 1HG GLU 44 2HG GLU 44 -17.709 1.409 -2.516 333 2HG GLU 44 3HG GLU 44 -18.504 1.938 -1.016 334 H THR 45 H THR 45 -14.811 -1.267 0.793 335 HA THR 45 HA THR 45 -12.111 -0.146 0.157 336 HB THR 45 HB THR 45 -13.097 -1.278 2.787 337 HG1 THR 45 1HG THR 45 -11.588 0.889 3.047 338 1HG2 THR 45 1HG2 THR 45 -10.230 -0.697 1.949 339 2HG2 THR 45 2HG2 THR 45 -10.797 -1.194 3.556 340 3HG2 THR 45 3HG2 THR 45 -10.948 -2.309 2.191 341 H VAL 46 H VAL 46 -10.845 -1.624 -0.811 342 HA VAL 46 HA VAL 46 -11.817 -4.406 -1.190 343 HB VAL 46 HB VAL 46 -11.432 -3.334 -3.278 344 1HG1 VAL 46 1HG1 VAL 46 -8.677 -2.516 -2.236 345 2HG1 VAL 46 2HG1 VAL 46 -9.166 -2.471 -3.931 346 3HG1 VAL 46 3HG1 VAL 46 -9.999 -1.446 -2.763 347 1HG2 VAL 46 1HG2 VAL 46 -9.729 -4.772 -4.230 348 2HG2 VAL 46 2HG2 VAL 46 -9.005 -5.021 -2.631 349 3HG2 VAL 46 3HG2 VAL 46 -10.625 -5.675 -2.988 350 H ASN 47 H ASN 47 -10.684 -6.042 -0.266 351 HA ASN 47 HA ASN 47 -8.168 -5.404 1.213 352 1HB ASN 47 2HB ASN 47 -10.405 -7.280 2.073 353 2HB ASN 47 3HB ASN 47 -8.867 -7.053 2.901 354 1HD2 ASN 47 1HD2 ASN 47 -9.060 -5.800 4.736 355 2HD2 ASN 47 2HD2 ASN 47 -10.277 -4.549 4.946 356 H VAL 48 H VAL 48 -6.746 -6.323 -0.238 357 HA VAL 48 HA VAL 48 -7.534 -8.979 -1.410 358 HB VAL 48 HB VAL 48 -5.096 -7.506 -2.337 359 1HG1 VAL 48 1HG1 VAL 48 -7.100 -9.397 -3.673 360 2HG1 VAL 48 2HG1 VAL 48 -5.589 -8.821 -4.375 361 3HG1 VAL 48 3HG1 VAL 48 -5.556 -9.921 -2.988 362 1HG2 VAL 48 1HG2 VAL 48 -6.839 -5.840 -2.622 363 2HG2 VAL 48 2HG2 VAL 48 -6.525 -6.590 -4.190 364 3HG2 VAL 48 3HG2 VAL 48 -7.962 -7.070 -3.266 365 H ILE 49 H ILE 49 -6.689 -10.857 -0.540 366 HA ILE 49 HA ILE 49 -4.358 -10.532 1.243 367 HB ILE 49 HB ILE 49 -6.675 -12.478 1.310 368 1HG1 ILE 49 2HG1 ILE 49 -5.796 -10.757 3.621 369 2HG1 ILE 49 3HG1 ILE 49 -6.651 -9.965 2.295 370 1HG2 ILE 49 1HG2 ILE 49 -4.633 -13.733 1.917 371 2HG2 ILE 49 2HG2 ILE 49 -4.207 -12.497 3.100 372 3HG2 ILE 49 3HG2 ILE 49 -5.662 -13.474 3.323 373 1HD1 ILE 49 1HD1 ILE 49 -7.766 -12.348 3.795 374 2HD1 ILE 49 2HD1 ILE 49 -8.201 -10.643 4.055 375 3HD1 ILE 49 3HD1 ILE 49 -8.557 -11.415 2.501 376 H TYR 50 H TYR 50 -2.503 -11.541 0.564 377 HA TYR 50 HA TYR 50 -2.621 -13.892 -1.114 378 1HB TYR 50 2HB TYR 50 -1.507 -12.820 -3.118 379 2HB TYR 50 3HB TYR 50 -3.105 -12.147 -2.793 380 HD1 TYR 50 HD1 TYR 50 -3.527 -9.985 -2.010 381 HD2 TYR 50 HD2 TYR 50 0.459 -11.328 -2.942 382 HE1 TYR 50 HE1 TYR 50 -2.760 -7.664 -2.059 383 HE2 TYR 50 HE2 TYR 50 1.267 -8.988 -2.802 384 HH TYR 50 HH TYR 50 -0.442 -6.231 -2.313 385 H ASP 51 H ASP 51 -0.400 -14.503 -1.967 386 HA ASP 51 HA ASP 51 1.459 -14.307 0.260 387 1HB ASP 51 2HB ASP 51 0.851 -16.333 -1.401 388 2HB ASP 51 3HB ASP 51 2.220 -15.702 -2.301 389 HA PRO 52 HA PRO 52 3.631 -11.022 -2.110 390 1HB PRO 52 2HB PRO 52 5.484 -10.218 -0.268 391 2HB PRO 52 3HB PRO 52 3.766 -9.863 -0.104 392 1HG PRO 52 2HG PRO 52 5.341 -12.130 1.142 393 2HG PRO 52 3HG PRO 52 4.205 -11.039 1.984 394 1HD PRO 52 2HD PRO 52 3.552 -13.566 1.089 395 2HD PRO 52 3HD PRO 52 2.347 -12.255 1.162 396 H ALA 53 H ALA 53 4.159 -13.652 -2.835 397 HA ALA 53 HA ALA 53 6.898 -13.485 -3.745 398 1HB ALA 53 1HB ALA 53 7.782 -15.497 -2.594 399 2HB ALA 53 2HB ALA 53 7.345 -14.271 -1.388 400 3HB ALA 53 3HB ALA 53 6.262 -15.655 -1.690 401 H GLU 54 H GLU 54 4.255 -13.882 -4.730 402 HA GLU 54 HA GLU 54 4.895 -15.997 -6.631 403 1HB GLU 54 2HB GLU 54 2.263 -15.919 -5.068 404 2HB GLU 54 3HB GLU 54 2.479 -16.759 -6.608 405 1HG GLU 54 2HG GLU 54 4.464 -17.985 -5.453 406 2HG GLU 54 3HG GLU 54 3.719 -17.443 -3.938 407 H THR 55 H THR 55 2.598 -13.398 -5.551 408 HA THR 55 HA THR 55 1.924 -12.791 -8.344 409 HB THR 55 HB THR 55 0.664 -12.483 -5.597 410 HG1 THR 55 1HG THR 55 0.050 -13.855 -8.002 411 1HG2 THR 55 1HG2 THR 55 0.037 -10.437 -6.765 412 2HG2 THR 55 2HG2 THR 55 -0.184 -11.383 -8.249 413 3HG2 THR 55 3HG2 THR 55 -1.259 -11.645 -6.833 414 H GLY 56 H GLY 56 1.788 -10.587 -5.536 415 1HA GLY 56 2HA GLY 56 3.759 -9.170 -5.012 416 2HA GLY 56 3HA GLY 56 3.998 -8.940 -6.747 417 H THR 57 H THR 57 2.822 -7.467 -4.172 418 HA THR 57 HA THR 57 0.284 -6.622 -4.559 419 HB THR 57 HB THR 57 1.881 -6.072 -2.679 420 HG1 THR 57 1HG THR 57 0.277 -3.882 -3.425 421 1HG2 THR 57 1HG2 THR 57 2.960 -3.956 -2.592 422 2HG2 THR 57 2HG2 THR 57 3.563 -4.869 -3.989 423 3HG2 THR 57 3HG2 THR 57 2.390 -3.538 -4.214 424 H ALA 58 H ALA 58 3.042 -5.274 -6.366 425 HA ALA 58 HA ALA 58 1.595 -3.216 -7.711 426 1HB ALA 58 1HB ALA 58 4.004 -4.825 -8.654 427 2HB ALA 58 2HB ALA 58 3.423 -3.296 -9.349 428 3HB ALA 58 3HB ALA 58 4.045 -3.331 -7.688 429 H ALA 59 H ALA 59 1.960 -6.734 -8.430 430 HA ALA 59 HA ALA 59 0.756 -6.545 -11.047 431 1HB ALA 59 1HB ALA 59 2.250 -8.376 -10.409 432 2HB ALA 59 2HB ALA 59 1.038 -8.947 -9.230 433 3HB ALA 59 3HB ALA 59 0.655 -8.933 -10.966 434 H ILE 60 H ILE 60 -0.362 -7.039 -7.720 435 HA ILE 60 HA ILE 60 -3.047 -7.819 -8.254 436 HB ILE 60 HB ILE 60 -2.145 -5.982 -6.004 437 1HG1 ILE 60 2HG1 ILE 60 -0.783 -8.152 -6.106 438 2HG1 ILE 60 3HG1 ILE 60 -1.643 -7.728 -4.640 439 1HG2 ILE 60 1HG2 ILE 60 -3.980 -7.025 -4.763 440 2HG2 ILE 60 2HG2 ILE 60 -4.522 -6.037 -6.136 441 3HG2 ILE 60 3HG2 ILE 60 -4.518 -7.810 -6.269 442 1HD1 ILE 60 1HD1 ILE 60 -2.681 -9.719 -6.661 443 2HD1 ILE 60 2HD1 ILE 60 -1.759 -10.104 -5.180 444 3HD1 ILE 60 3HD1 ILE 60 -3.350 -9.366 -5.041 445 H GLN 61 H GLN 61 -1.612 -4.544 -7.737 446 HA GLN 61 HA GLN 61 -4.060 -3.215 -8.367 447 1HB GLN 61 2HB GLN 61 -3.071 -1.273 -7.932 448 2HB GLN 61 3HB GLN 61 -1.902 -2.320 -7.128 449 1HG GLN 61 2HG GLN 61 -0.439 -2.121 -9.173 450 2HG GLN 61 3HG GLN 61 -1.639 -1.052 -9.905 451 1HE2 GLN 61 1HE2 GLN 61 -1.655 1.152 -9.284 452 2HE2 GLN 61 2HE2 GLN 61 -0.505 1.767 -8.110 453 H GLU 62 H GLU 62 -1.276 -4.241 -10.390 454 HA GLU 62 HA GLU 62 -2.033 -2.946 -12.767 455 1HB GLU 62 2HB GLU 62 0.086 -4.099 -12.567 456 2HB GLU 62 3HB GLU 62 -0.737 -5.655 -12.324 457 1HG GLU 62 2HG GLU 62 -1.628 -5.666 -14.512 458 2HG GLU 62 3HG GLU 62 -0.987 -4.037 -14.869 459 H LYS 63 H LYS 63 -3.425 -5.997 -11.271 460 HA LYS 63 HA LYS 63 -4.877 -6.569 -13.644 461 1HB LYS 63 2HB LYS 63 -4.192 -8.182 -11.821 462 2HB LYS 63 3HB LYS 63 -5.392 -7.434 -10.782 463 1HG LYS 63 2HG LYS 63 -6.208 -9.504 -11.814 464 2HG LYS 63 3HG LYS 63 -7.196 -8.099 -12.234 465 1HD LYS 63 2HD LYS 63 -6.856 -9.640 -14.156 466 2HD LYS 63 3HD LYS 63 -6.286 -8.018 -14.473 467 1HE LYS 63 2HE LYS 63 -4.644 -9.601 -15.316 468 2HE LYS 63 3HE LYS 63 -3.920 -8.745 -13.975 469 1HZ LYS 63 1HZ LYS 63 -5.109 -11.446 -13.819 470 2HZ LYS 63 2HZ LYS 63 -3.502 -11.099 -13.835 471 3HZ LYS 63 3HZ LYS 63 -4.429 -10.629 -12.567 472 H ILE 64 H ILE 64 -5.594 -4.772 -10.647 473 HA ILE 64 HA ILE 64 -8.346 -4.193 -11.131 474 HB ILE 64 HB ILE 64 -6.164 -2.668 -9.654 475 1HG1 ILE 64 2HG1 ILE 64 -8.436 -4.456 -8.677 476 2HG1 ILE 64 3HG1 ILE 64 -6.747 -4.957 -8.809 477 1HG2 ILE 64 1HG2 ILE 64 -8.013 -1.123 -10.317 478 2HG2 ILE 64 2HG2 ILE 64 -9.144 -2.201 -9.453 479 3HG2 ILE 64 3HG2 ILE 64 -7.847 -1.344 -8.589 480 1HD1 ILE 64 1HD1 ILE 64 -7.135 -4.422 -6.531 481 2HD1 ILE 64 2HD1 ILE 64 -6.120 -3.131 -7.205 482 3HD1 ILE 64 3HD1 ILE 64 -7.857 -2.855 -6.923 483 H GLU 65 H GLU 65 -5.346 -2.419 -12.091 484 HA GLU 65 HA GLU 65 -6.808 -0.413 -13.531 485 1HB GLU 65 2HB GLU 65 -3.887 -1.235 -13.793 486 2HB GLU 65 3HB GLU 65 -4.642 0.207 -14.494 487 1HG GLU 65 2HG GLU 65 -5.406 0.861 -12.159 488 2HG GLU 65 3HG GLU 65 -4.393 -0.439 -11.522 489 H LYS 66 H LYS 66 -5.417 -3.533 -14.607 490 HA LYS 66 HA LYS 66 -6.104 -3.232 -17.353 491 1HB LYS 66 2HB LYS 66 -5.665 -5.642 -15.658 492 2HB LYS 66 3HB LYS 66 -6.117 -5.757 -17.372 493 1HG LYS 66 2HG LYS 66 -4.193 -4.397 -18.071 494 2HG LYS 66 3HG LYS 66 -3.852 -3.981 -16.400 495 1HD LYS 66 2HD LYS 66 -2.318 -5.496 -16.530 496 2HD LYS 66 3HD LYS 66 -3.616 -6.607 -16.099 497 1HE LYS 66 2HE LYS 66 -2.380 -6.007 -18.846 498 2HE LYS 66 3HE LYS 66 -2.149 -7.481 -17.903 499 1HZ LYS 66 1HZ LYS 66 -4.708 -6.593 -19.066 500 2HZ LYS 66 2HZ LYS 66 -3.729 -7.763 -19.685 501 3HZ LYS 66 3HZ LYS 66 -4.467 -7.993 -18.232 502 H LEU 67 H LEU 67 -8.085 -4.174 -14.524 503 HA LEU 67 HA LEU 67 -10.462 -4.711 -16.129 504 1HB LEU 67 2HB LEU 67 -9.700 -4.741 -13.279 505 2HB LEU 67 3HB LEU 67 -11.335 -4.189 -13.547 506 HG LEU 67 HG LEU 67 -10.676 -6.583 -15.193 507 1HD1 LEU 67 1HD1 LEU 67 -10.735 -8.141 -13.304 508 2HD1 LEU 67 2HD1 LEU 67 -9.278 -7.121 -13.368 509 3HD1 LEU 67 3HD1 LEU 67 -10.557 -6.764 -12.186 510 1HD2 LEU 67 1HD2 LEU 67 -12.853 -7.306 -14.355 511 2HD2 LEU 67 2HD2 LEU 67 -12.880 -5.978 -13.173 512 3HD2 LEU 67 3HD2 LEU 67 -12.956 -5.624 -14.910 513 H GLY 68 H GLY 68 -8.851 -1.821 -15.769 514 1HA GLY 68 2HA GLY 68 -9.487 0.283 -16.300 515 2HA GLY 68 3HA GLY 68 -11.116 -0.302 -16.668 516 H TYR 69 H TYR 69 -9.602 -0.880 -13.510 517 HA TYR 69 HA TYR 69 -11.457 1.100 -12.217 518 1HB TYR 69 2HB TYR 69 -10.192 -1.494 -11.389 519 2HB TYR 69 3HB TYR 69 -10.383 -0.237 -10.171 520 HD1 TYR 69 HD1 TYR 69 -11.990 -1.081 -8.738 521 HD2 TYR 69 HD2 TYR 69 -12.710 -1.218 -12.991 522 HE1 TYR 69 HE1 TYR 69 -14.258 -1.907 -8.323 523 HE2 TYR 69 HE2 TYR 69 -14.935 -2.182 -12.562 524 HH TYR 69 HH TYR 69 -15.429 -3.863 -10.243 525 H HIS 70 H HIS 70 -10.334 2.038 -10.169 526 HA HIS 70 HA HIS 70 -7.481 2.680 -10.638 527 1HB HIS 70 2HB HIS 70 -9.791 4.595 -10.832 528 2HB HIS 70 3HB HIS 70 -8.401 5.137 -9.912 529 HD1 HIS 70 1HD HIS 70 -5.997 5.209 -11.307 530 HD2 HIS 70 2HD HIS 70 -9.519 4.506 -13.507 531 HE1 HIS 70 1HE HIS 70 -5.420 5.606 -13.758 532 H VAL 71 H VAL 71 -6.358 2.935 -8.779 533 HA VAL 71 HA VAL 71 -7.700 2.227 -6.263 534 HB VAL 71 HB VAL 71 -5.462 2.049 -5.386 535 1HG1 VAL 71 1HG1 VAL 71 -6.450 0.146 -6.666 536 2HG1 VAL 71 2HG1 VAL 71 -5.590 0.702 -8.120 537 3HG1 VAL 71 3HG1 VAL 71 -4.679 0.169 -6.695 538 1HG2 VAL 71 1HG2 VAL 71 -3.448 2.321 -6.775 539 2HG2 VAL 71 2HG2 VAL 71 -4.416 2.962 -8.111 540 3HG2 VAL 71 3HG2 VAL 71 -4.285 3.863 -6.588 541 H VAL 72 H VAL 72 -7.882 3.602 -4.468 542 HA VAL 72 HA VAL 72 -7.571 6.512 -5.017 543 HB VAL 72 HB VAL 72 -8.760 4.976 -2.702 544 1HG1 VAL 72 1HG1 VAL 72 -8.842 7.954 -3.374 545 2HG1 VAL 72 2HG1 VAL 72 -9.729 7.178 -2.044 546 3HG1 VAL 72 3HG1 VAL 72 -7.961 7.220 -2.017 547 1HG2 VAL 72 1HG2 VAL 72 -10.957 5.734 -3.555 548 2HG2 VAL 72 2HG2 VAL 72 -10.157 6.417 -4.990 549 3HG2 VAL 72 3HG2 VAL 72 -10.146 4.663 -4.704 550 H THR 73 H THR 73 -5.283 6.727 -4.970 551 HA THR 73 HA THR 73 -3.975 6.291 -2.387 552 HB THR 73 HB THR 73 -2.785 4.992 -4.873 553 HG1 THR 73 1HG THR 73 -4.737 3.989 -3.113 554 1HG2 THR 73 1HG2 THR 73 -1.492 3.748 -3.249 555 2HG2 THR 73 2HG2 THR 73 -1.436 5.446 -2.735 556 3HG2 THR 73 3HG2 THR 73 -2.556 4.312 -1.935 557 H GLU 74 H GLU 74 -2.217 7.702 -2.137 558 HA GLU 74 HA GLU 74 -1.638 9.498 -4.470 559 1HB GLU 74 2HB GLU 74 -2.241 10.298 -1.596 560 2HB GLU 74 3HB GLU 74 -1.676 11.381 -2.878 561 1HG GLU 74 2HG GLU 74 -3.693 10.885 -4.224 562 2HG GLU 74 3HG GLU 74 -4.285 9.785 -2.967 563 H LYS 75 H LYS 75 0.438 9.860 -4.830 564 HA LYS 75 HA LYS 75 2.455 8.549 -3.159 565 1HB LYS 75 2HB LYS 75 3.888 8.679 -4.935 566 2HB LYS 75 3HB LYS 75 2.294 8.331 -5.626 567 1HG LYS 75 2HG LYS 75 2.200 10.894 -6.073 568 2HG LYS 75 3HG LYS 75 3.958 10.804 -5.770 569 1HD LYS 75 2HD LYS 75 3.710 8.681 -7.456 570 2HD LYS 75 3HD LYS 75 2.340 9.618 -8.037 571 1HE LYS 75 2HE LYS 75 5.287 10.435 -7.884 572 2HE LYS 75 3HE LYS 75 4.348 10.131 -9.351 573 1HZ LYS 75 1HZ LYS 75 4.616 12.473 -8.919 574 2HZ LYS 75 2HZ LYS 75 3.022 12.072 -8.818 575 3HZ LYS 75 3HZ LYS 75 3.895 12.340 -7.448 576 H ALA 76 H ALA 76 2.411 9.701 -1.297 577 HA ALA 76 HA ALA 76 2.922 12.657 -1.393 578 1HB ALA 76 1HB ALA 76 1.133 11.904 0.071 579 2HB ALA 76 2HB ALA 76 2.245 10.811 0.918 580 3HB ALA 76 3HB ALA 76 2.468 12.579 1.025 581 H GLU 77 H GLU 77 4.711 13.563 -0.087 582 HA GLU 77 HA GLU 77 7.094 11.779 -0.172 583 1HB GLU 77 2HB GLU 77 6.630 14.697 -0.913 584 2HB GLU 77 3HB GLU 77 8.253 14.080 -0.585 585 1HG GLU 77 2HG GLU 77 6.559 12.587 -2.590 586 2HG GLU 77 3HG GLU 77 7.333 14.112 -3.049 587 H PHE 78 H PHE 78 8.124 11.432 1.663 588 HA PHE 78 HA PHE 78 7.840 13.382 3.909 589 1HB PHE 78 2HB PHE 78 8.053 10.357 3.956 590 2HB PHE 78 3HB PHE 78 8.282 11.392 5.362 591 HD1 PHE 78 1HD PHE 78 5.755 10.758 2.631 592 HD2 PHE 78 2HD PHE 78 6.397 11.843 6.757 593 HE1 PHE 78 1HE PHE 78 3.363 11.343 2.872 594 HE2 PHE 78 2HE PHE 78 3.978 12.197 7.025 595 HZ PHE 78 HZ PHE 78 2.487 12.131 5.040 596 H ASP 79 H ASP 79 9.653 13.721 5.107 597 HA ASP 79 HA ASP 79 12.314 13.172 3.864 598 1HB ASP 79 2HB ASP 79 11.691 15.462 3.951 599 2HB ASP 79 3HB ASP 79 11.230 15.389 5.637 600 H ILE 80 H ILE 80 14.036 12.375 5.344 601 HA ILE 80 HA ILE 80 12.934 11.180 7.850 602 HB ILE 80 HB ILE 80 15.033 9.944 6.072 603 1HG1 ILE 80 2HG1 ILE 80 12.146 9.021 6.088 604 2HG1 ILE 80 3HG1 ILE 80 12.740 10.138 4.841 605 1HG2 ILE 80 1HG2 ILE 80 13.190 8.857 8.262 606 2HG2 ILE 80 2HG2 ILE 80 14.500 7.957 7.483 607 3HG2 ILE 80 3HG2 ILE 80 14.874 9.337 8.511 608 1HD1 ILE 80 1HD1 ILE 80 14.150 8.742 3.904 609 2HD1 ILE 80 2HD1 ILE 80 14.377 7.717 5.328 610 3HD1 ILE 80 3HD1 ILE 80 12.855 7.619 4.429 611 H GLU 81 H GLU 81 14.129 11.741 9.606 612 HA GLU 81 HA GLU 81 16.785 13.076 9.053 613 1HB GLU 81 2HB GLU 81 15.062 14.501 10.014 614 2HB GLU 81 3HB GLU 81 14.924 13.394 11.365 615 1HG GLU 81 2HG GLU 81 17.615 13.940 11.429 616 2HG GLU 81 3HG GLU 81 16.940 15.455 10.813 617 H GLY 82 H GLY 82 18.503 12.004 9.600 618 1HA GLY 82 2HA GLY 82 20.011 10.746 10.783 619 2HA GLY 82 3HA GLY 82 18.778 10.458 12.013 620 H MET 83 H MET 83 18.772 9.528 8.488 621 HA MET 83 HA MET 83 18.051 6.866 9.296 622 1HB MET 83 2HB MET 83 17.222 6.599 7.119 623 2HB MET 83 3HB MET 83 16.833 8.252 7.599 624 1HG MET 83 2HG MET 83 18.821 9.051 6.247 625 2HG MET 83 3HG MET 83 19.061 7.366 5.737 626 1HE MET 83 1HE MET 83 18.628 6.970 3.336 627 2HE MET 83 2HE MET 83 17.646 8.097 2.381 628 3HE MET 83 3HE MET 83 19.079 8.679 3.265 629 H THR 84 H THR 84 20.838 8.548 7.882 630 HA THR 84 HA THR 84 22.072 6.169 6.746 631 HB THR 84 HB THR 84 23.896 7.811 6.279 632 HG1 THR 84 1HG THR 84 23.621 9.071 8.116 633 1HG2 THR 84 1HG2 THR 84 21.153 8.969 5.590 634 2HG2 THR 84 2HG2 THR 84 22.676 9.235 4.739 635 3HG2 THR 84 3HG2 THR 84 21.927 7.626 4.718 636 H CYS 85 H CYS 85 21.604 5.366 9.202 637 HA CYS 85 HA CYS 85 24.124 5.778 10.798 638 1HB CYS 85 2HB CYS 85 22.016 6.546 11.891 639 2HB CYS 85 3HB CYS 85 21.415 4.874 11.836 640 HG CYS 85 HG CYS 85 22.315 5.453 14.214 641 H ALA 86 H ALA 86 21.641 3.340 9.915 642 HA ALA 86 HA ALA 86 23.720 1.443 9.174 643 1HB ALA 86 1HB ALA 86 22.908 -0.366 10.646 644 2HB ALA 86 2HB ALA 86 23.593 0.970 11.587 645 3HB ALA 86 3HB ALA 86 21.829 0.778 11.476 646 H ALA 87 H ALA 87 22.392 2.440 7.323 647 HA ALA 87 HA ALA 87 20.761 2.227 5.665 648 1HB ALA 87 1HB ALA 87 21.959 0.034 5.529 649 2HB ALA 87 2HB ALA 87 20.735 -0.669 6.607 650 3HB ALA 87 3HB ALA 87 20.272 -0.051 5.017 651 H CYS 88 H CYS 88 19.698 3.496 7.946 652 HA CYS 88 HA CYS 88 17.601 1.862 9.023 653 1HB CYS 88 2HB CYS 88 17.861 4.847 9.084 654 2HB CYS 88 3HB CYS 88 16.861 3.872 10.136 655 HG CYS 88 HG CYS 88 18.766 2.527 11.260 656 H ALA 89 H ALA 89 17.870 4.300 6.467 657 HA ALA 89 HA ALA 89 15.184 4.723 5.706 658 1HB ALA 89 1HB ALA 89 16.139 5.792 3.989 659 2HB ALA 89 2HB ALA 89 17.698 5.431 4.748 660 3HB ALA 89 3HB ALA 89 17.064 4.388 3.465 661 H ASN 90 H ASN 90 17.472 2.065 4.895 662 HA ASN 90 HA ASN 90 15.582 0.816 3.102 663 1HB ASN 90 2HB ASN 90 18.165 -0.192 4.324 664 2HB ASN 90 3HB ASN 90 17.209 -1.104 3.164 665 1HD2 ASN 90 1HD2 ASN 90 20.019 0.182 2.957 666 2HD2 ASN 90 2HD2 ASN 90 19.884 1.101 1.472 667 H ARG 91 H ARG 91 16.514 0.383 6.519 668 HA ARG 91 HA ARG 91 14.735 -1.855 7.032 669 1HB ARG 91 2HB ARG 91 15.830 0.377 8.772 670 2HB ARG 91 3HB ARG 91 14.660 -0.761 9.411 671 1HG ARG 91 2HG ARG 91 17.071 -1.878 7.981 672 2HG ARG 91 3HG ARG 91 17.306 -1.166 9.579 673 1HD ARG 91 2HD ARG 91 15.695 -2.588 10.618 674 2HD ARG 91 3HD ARG 91 15.124 -3.248 9.096 675 HE ARG 91 HE ARG 91 17.515 -3.961 10.637 676 1HH1 ARG 91 2HH2 ARG 91 16.112 -4.031 7.425 677 2HH1 ARG 91 1HH2 ARG 91 16.855 -5.526 6.931 678 1HH2 ARG 91 2HH1 ARG 91 18.586 -5.928 10.024 679 2HH2 ARG 91 1HH1 ARG 91 18.345 -6.599 8.447 680 H ILE 92 H ILE 92 14.080 1.662 7.350 681 HA ILE 92 HA ILE 92 11.342 1.291 8.050 682 HB ILE 92 HB ILE 92 11.070 3.646 7.703 683 1HG1 ILE 92 2HG1 ILE 92 13.816 3.727 6.752 684 2HG1 ILE 92 3HG1 ILE 92 12.406 3.999 5.713 685 1HG2 ILE 92 1HG2 ILE 92 12.181 4.156 9.643 686 2HG2 ILE 92 2HG2 ILE 92 12.474 2.416 9.681 687 3HG2 ILE 92 3HG2 ILE 92 13.724 3.491 9.075 688 1HD1 ILE 92 1HD1 ILE 92 13.126 5.672 8.165 689 2HD1 ILE 92 2HD1 ILE 92 13.371 6.132 6.478 690 3HD1 ILE 92 3HD1 ILE 92 11.719 5.894 7.094 691 H GLU 93 H GLU 93 12.950 1.624 4.884 692 HA GLU 93 HA GLU 93 10.780 2.005 3.192 693 1HB GLU 93 2HB GLU 93 13.147 2.048 2.470 694 2HB GLU 93 3HB GLU 93 13.327 0.373 2.962 695 1HG GLU 93 2HG GLU 93 11.425 -0.033 1.137 696 2HG GLU 93 3HG GLU 93 12.024 1.515 0.540 697 H LYS 94 H LYS 94 12.283 -1.137 4.216 698 HA LYS 94 HA LYS 94 10.256 -2.741 3.067 699 1HB LYS 94 2HB LYS 94 12.388 -3.201 5.126 700 2HB LYS 94 3HB LYS 94 11.007 -4.291 5.179 701 1HG LYS 94 2HG LYS 94 12.561 -5.367 3.754 702 2HG LYS 94 3HG LYS 94 11.234 -4.773 2.761 703 1HD LYS 94 2HD LYS 94 13.097 -4.211 1.484 704 2HD LYS 94 3HD LYS 94 12.725 -2.699 2.310 705 1HE LYS 94 2HE LYS 94 14.480 -3.286 4.035 706 2HE LYS 94 3HE LYS 94 14.879 -4.733 3.112 707 1HZ LYS 94 1HZ LYS 94 15.538 -3.355 1.284 708 2HZ LYS 94 2HZ LYS 94 14.955 -2.013 1.985 709 3HZ LYS 94 3HZ LYS 94 16.283 -2.761 2.625 710 H ARG 95 H ARG 95 10.105 -0.836 5.999 711 HA ARG 95 HA ARG 95 7.684 -2.254 6.962 712 1HB ARG 95 2HB ARG 95 8.778 0.436 7.836 713 2HB ARG 95 3HB ARG 95 7.507 -0.483 8.608 714 1HG ARG 95 2HG ARG 95 10.242 -1.765 8.253 715 2HG ARG 95 3HG ARG 95 9.996 -0.504 9.435 716 1HD ARG 95 2HD ARG 95 9.624 -2.521 10.648 717 2HD ARG 95 3HD ARG 95 8.044 -1.809 10.391 718 HE ARG 95 HE ARG 95 7.401 -3.589 9.134 719 1HH1 ARG 95 2HH2 ARG 95 10.901 -3.569 9.263 720 2HH1 ARG 95 1HH2 ARG 95 11.119 -5.257 8.898 721 1HH2 ARG 95 2HH1 ARG 95 7.608 -5.854 8.668 722 2HH2 ARG 95 1HH1 ARG 95 9.175 -6.572 8.476 723 H LEU 96 H LEU 96 8.261 1.089 5.873 724 HA LEU 96 HA LEU 96 5.694 2.011 5.380 725 1HB LEU 96 2HB LEU 96 8.359 2.676 4.160 726 2HB LEU 96 3HB LEU 96 6.854 3.402 3.605 727 HG LEU 96 HG LEU 96 6.711 3.572 6.438 728 1HD1 LEU 96 1HD1 LEU 96 8.676 5.027 6.911 729 2HD1 LEU 96 2HD1 LEU 96 9.010 3.303 6.759 730 3HD1 LEU 96 3HD1 LEU 96 9.435 4.412 5.425 731 1HD2 LEU 96 1HD2 LEU 96 6.647 5.966 5.991 732 2HD2 LEU 96 2HD2 LEU 96 7.312 5.707 4.362 733 3HD2 LEU 96 3HD2 LEU 96 5.701 5.075 4.784 734 H ASN 97 H ASN 97 7.694 0.057 3.241 735 HA ASN 97 HA ASN 97 6.517 -0.115 0.842 736 1HB ASN 97 2HB ASN 97 8.336 -1.634 1.922 737 2HB ASN 97 3HB ASN 97 7.010 -2.645 2.475 738 1HD2 ASN 97 1HD2 ASN 97 8.723 -1.277 -0.327 739 2HD2 ASN 97 2HD2 ASN 97 8.206 -2.505 -1.468 740 H LYS 98 H LYS 98 5.159 -1.478 3.822 741 HA LYS 98 HA LYS 98 2.438 -1.482 2.946 742 1HB LYS 98 2HB LYS 98 2.136 -3.985 3.066 743 2HB LYS 98 3HB LYS 98 2.755 -3.308 1.574 744 1HG LYS 98 2HG LYS 98 4.823 -4.157 1.741 745 2HG LYS 98 3HG LYS 98 4.931 -4.048 3.495 746 1HD LYS 98 2HD LYS 98 3.074 -5.938 2.117 747 2HD LYS 98 3HD LYS 98 4.757 -6.417 2.334 748 1HE LYS 98 2HE LYS 98 2.798 -5.684 4.594 749 2HE LYS 98 3HE LYS 98 3.277 -7.326 4.155 750 1HZ LYS 98 1HZ LYS 98 5.546 -6.724 4.706 751 2HZ LYS 98 2HZ LYS 98 5.047 -5.214 5.169 752 3HZ LYS 98 3HZ LYS 98 4.530 -6.536 5.992 753 H ILE 99 H ILE 99 2.858 -0.222 4.917 754 HA ILE 99 HA ILE 99 3.020 -1.606 7.478 755 HB ILE 99 HB ILE 99 1.845 1.095 6.677 756 1HG1 ILE 99 2HG1 ILE 99 4.288 0.804 6.347 757 2HG1 ILE 99 3HG1 ILE 99 3.814 2.122 7.424 758 1HG2 ILE 99 1HG2 ILE 99 2.238 -0.125 9.431 759 2HG2 ILE 99 2HG2 ILE 99 2.080 1.619 9.140 760 3HG2 ILE 99 3HG2 ILE 99 0.754 0.534 8.721 761 1HD1 ILE 99 1HD1 ILE 99 5.763 0.988 8.298 762 2HD1 ILE 99 2HD1 ILE 99 4.406 0.708 9.392 763 3HD1 ILE 99 3HD1 ILE 99 4.931 -0.583 8.285 764 H GLU 100 H GLU 100 0.371 -0.111 5.636 765 HA GLU 100 HA GLU 100 -1.469 -2.290 6.246 766 1HB GLU 100 2HB GLU 100 -1.436 0.101 7.834 767 2HB GLU 100 3HB GLU 100 -2.882 0.227 6.861 768 1HG GLU 100 2HG GLU 100 -2.137 -2.196 8.524 769 2HG GLU 100 3HG GLU 100 -3.260 -0.912 8.993 770 H GLY 101 H GLY 101 -3.109 0.526 5.082 771 1HA GLY 101 2HA GLY 101 -3.315 -0.618 2.462 772 2HA GLY 101 3HA GLY 101 -4.074 0.864 3.086 773 H VAL 102 H VAL 102 -0.760 -0.250 2.546 774 HA VAL 102 HA VAL 102 -0.085 2.255 1.063 775 HB VAL 102 HB VAL 102 1.864 0.471 2.503 776 1HG1 VAL 102 1HG1 VAL 102 2.998 1.700 0.875 777 2HG1 VAL 102 2HG1 VAL 102 2.002 3.146 1.102 778 3HG1 VAL 102 3HG1 VAL 102 3.176 2.715 2.324 779 1HG2 VAL 102 1HG2 VAL 102 0.596 3.014 3.566 780 2HG2 VAL 102 2HG2 VAL 102 0.353 1.385 4.203 781 3HG2 VAL 102 3HG2 VAL 102 1.953 2.135 4.289 782 H ALA 103 H ALA 103 0.240 2.018 -1.045 783 HA ALA 103 HA ALA 103 0.218 -0.652 -2.226 784 1HB ALA 103 1HB ALA 103 0.378 0.610 -4.382 785 2HB ALA 103 2HB ALA 103 -1.029 1.027 -3.404 786 3HB ALA 103 3HB ALA 103 0.374 2.124 -3.460 787 H ASN 104 H ASN 104 2.419 2.149 -1.858 788 HA ASN 104 HA ASN 104 4.789 0.438 -2.272 789 1HB ASN 104 2HB ASN 104 4.220 2.841 -4.075 790 2HB ASN 104 3HB ASN 104 5.745 1.973 -3.988 791 1HD2 ASN 104 1HD2 ASN 104 2.938 2.282 -5.767 792 2HD2 ASN 104 2HD2 ASN 104 2.956 0.683 -6.520 793 H ALA 105 H ALA 105 6.764 1.752 -1.917 794 HA ALA 105 HA ALA 105 6.534 4.382 -0.878 795 1HB ALA 105 1HB ALA 105 5.646 3.314 1.152 796 2HB ALA 105 2HB ALA 105 7.083 2.273 1.232 797 3HB ALA 105 3HB ALA 105 7.238 4.028 1.448 798 HA PRO 106 HA PRO 106 10.744 2.942 -2.233 799 1HB PRO 106 2HB PRO 106 11.247 4.752 -4.219 800 2HB PRO 106 3HB PRO 106 10.257 3.282 -4.462 801 1HG PRO 106 2HG PRO 106 9.305 6.086 -3.895 802 2HG PRO 106 3HG PRO 106 8.713 4.979 -5.162 803 1HD PRO 106 2HD PRO 106 7.400 5.233 -2.780 804 2HD PRO 106 3HD PRO 106 7.528 3.655 -3.594 805 H VAL 107 H VAL 107 12.677 3.725 -1.480 806 HA VAL 107 HA VAL 107 12.599 6.215 0.108 807 HB VAL 107 HB VAL 107 12.910 4.088 1.271 808 1HG1 VAL 107 1HG1 VAL 107 14.229 2.828 -0.442 809 2HG1 VAL 107 2HG1 VAL 107 15.604 3.914 -0.167 810 3HG1 VAL 107 3HG1 VAL 107 15.035 2.855 1.130 811 1HG2 VAL 107 1HG2 VAL 107 15.391 5.809 1.487 812 2HG2 VAL 107 2HG2 VAL 107 13.802 6.221 2.170 813 3HG2 VAL 107 3HG2 VAL 107 14.633 4.758 2.706 814 H ASN 108 H ASN 108 14.331 7.661 0.080 815 HA ASN 108 HA ASN 108 15.866 7.744 -2.499 816 1HB ASN 108 2HB ASN 108 14.469 9.778 -0.831 817 2HB ASN 108 3HB ASN 108 15.555 10.230 -2.152 818 1HD2 ASN 108 1HD2 ASN 108 14.618 10.489 -4.176 819 2HD2 ASN 108 2HD2 ASN 108 13.020 9.882 -4.580 820 H PHE 109 H PHE 109 17.706 6.872 -1.569 821 HA PHE 109 HA PHE 109 19.111 7.810 0.692 822 1HB PHE 109 2HB PHE 109 19.607 5.995 -1.577 823 2HB PHE 109 3HB PHE 109 21.039 6.913 -1.167 824 HD1 PHE 109 1HD PHE 109 18.544 4.503 0.133 825 HD2 PHE 109 2HD PHE 109 22.048 6.838 1.051 826 HE1 PHE 109 1HE PHE 109 18.709 3.395 2.303 827 HE2 PHE 109 2HE PHE 109 22.241 5.711 3.219 828 HZ PHE 109 HZ PHE 109 20.588 3.948 3.874 829 H ALA 110 H ALA 110 18.527 9.591 -2.132 830 HA ALA 110 HA ALA 110 21.179 10.903 -2.106 831 1HB ALA 110 1HB ALA 110 20.350 11.998 -4.166 832 2HB ALA 110 2HB ALA 110 20.265 10.228 -4.272 833 3HB ALA 110 3HB ALA 110 18.787 11.172 -3.978 834 H LEU 111 H LEU 111 17.770 11.488 -1.325 835 HA LEU 111 HA LEU 111 18.437 14.304 -0.540 836 1HB LEU 111 2HB LEU 111 15.603 13.554 -0.804 837 2HB LEU 111 3HB LEU 111 16.423 15.044 -1.210 838 HG LEU 111 HG LEU 111 16.434 12.479 -2.865 839 1HD1 LEU 111 1HD1 LEU 111 14.915 15.084 -3.258 840 2HD1 LEU 111 2HD1 LEU 111 14.947 13.714 -4.389 841 3HD1 LEU 111 3HD1 LEU 111 14.223 13.522 -2.783 842 1HD2 LEU 111 1HD2 LEU 111 18.340 14.516 -2.985 843 2HD2 LEU 111 2HD2 LEU 111 17.884 13.468 -4.339 844 3HD2 LEU 111 3HD2 LEU 111 17.144 15.067 -4.164 845 H GLU 112 H GLU 112 17.751 11.189 0.745 846 HA GLU 112 HA GLU 112 17.349 10.438 2.766 847 1HB GLU 112 2HB GLU 112 17.879 13.254 3.799 848 2HB GLU 112 3HB GLU 112 17.700 11.803 4.785 849 1HG GLU 112 2HG GLU 112 19.627 10.750 3.621 850 2HG GLU 112 3HG GLU 112 19.837 12.191 2.624 851 H THR 113 H THR 113 15.386 10.509 1.254 852 HA THR 113 HA THR 113 13.053 11.483 2.798 853 HB THR 113 HB THR 113 11.970 12.117 0.566 854 HG1 THR 113 1HG THR 113 14.664 11.923 -0.254 855 1HG2 THR 113 1HG2 THR 113 12.773 13.977 1.930 856 2HG2 THR 113 2HG2 THR 113 14.446 13.701 1.395 857 3HG2 THR 113 3HG2 THR 113 13.222 14.259 0.244 858 H VAL 114 H VAL 114 11.061 10.429 2.049 859 HA VAL 114 HA VAL 114 11.383 7.971 0.516 860 HB VAL 114 HB VAL 114 11.711 7.126 2.732 861 1HG1 VAL 114 1HG1 VAL 114 10.172 7.368 4.586 862 2HG1 VAL 114 2HG1 VAL 114 10.562 9.002 4.028 863 3HG1 VAL 114 3HG1 VAL 114 9.013 8.255 3.587 864 1HG2 VAL 114 1HG2 VAL 114 8.880 6.434 1.931 865 2HG2 VAL 114 2HG2 VAL 114 10.357 5.734 1.232 866 3HG2 VAL 114 3HG2 VAL 114 9.976 5.477 2.940 867 H THR 115 H THR 115 9.751 7.773 -0.905 868 HA THR 115 HA THR 115 7.460 9.631 -0.703 869 HB THR 115 HB THR 115 8.028 7.413 -2.690 870 HG1 THR 115 1HG THR 115 8.997 10.046 -2.587 871 1HG2 THR 115 1HG2 THR 115 6.348 9.941 -2.908 872 2HG2 THR 115 2HG2 THR 115 6.613 8.740 -4.193 873 3HG2 THR 115 3HG2 THR 115 5.729 8.282 -2.724 874 H VAL 116 H VAL 116 5.449 8.831 -0.064 875 HA VAL 116 HA VAL 116 5.187 5.899 0.490 876 HB VAL 116 HB VAL 116 5.326 7.201 2.584 877 1HG1 VAL 116 1HG1 VAL 116 2.687 8.474 1.766 878 2HG1 VAL 116 2HG1 VAL 116 3.565 8.684 3.281 879 3HG1 VAL 116 3HG1 VAL 116 4.243 9.294 1.758 880 1HG2 VAL 116 1HG2 VAL 116 4.170 5.086 2.560 881 2HG2 VAL 116 2HG2 VAL 116 3.262 6.213 3.581 882 3HG2 VAL 116 3HG2 VAL 116 2.686 5.835 1.946 883 H GLU 117 H GLU 117 3.711 4.978 -0.796 884 HA GLU 117 HA GLU 117 1.663 6.694 -2.114 885 1HB GLU 117 2HB GLU 117 3.523 4.693 -3.160 886 2HB GLU 117 3HB GLU 117 1.870 4.104 -3.365 887 1HG GLU 117 2HG GLU 117 1.352 6.433 -4.357 888 2HG GLU 117 3HG GLU 117 3.130 6.587 -4.444 889 H TYR 118 H TYR 118 0.068 6.550 -0.519 890 HA TYR 118 HA TYR 118 -0.971 3.842 0.047 891 1HB TYR 118 2HB TYR 118 -0.977 4.125 2.394 892 2HB TYR 118 3HB TYR 118 0.636 4.649 1.936 893 HD1 TYR 118 HD1 TYR 118 0.856 7.287 1.493 894 HD2 TYR 118 HD2 TYR 118 -2.280 5.454 3.794 895 HE1 TYR 118 HE1 TYR 118 0.671 9.345 2.869 896 HE2 TYR 118 HE2 TYR 118 -2.520 7.536 5.103 897 HH TYR 118 HH TYR 118 -0.430 10.382 4.606 898 H ASN 119 H ASN 119 -3.061 3.973 1.271 899 HA ASN 119 HA ASN 119 -4.726 5.922 -0.176 900 1HB ASN 119 2HB ASN 119 -5.501 3.649 -0.151 901 2HB ASN 119 3HB ASN 119 -5.482 3.614 1.621 902 1HD2 ASN 119 1HD2 ASN 119 -7.968 3.146 1.480 903 2HD2 ASN 119 2HD2 ASN 119 -8.962 4.509 1.088 904 HA PRO 120 HA PRO 120 -4.382 8.347 3.697 905 1HB PRO 120 2HB PRO 120 -5.312 10.740 2.832 906 2HB PRO 120 3HB PRO 120 -3.738 10.095 2.291 907 1HG PRO 120 2HG PRO 120 -6.399 9.865 0.839 908 2HG PRO 120 3HG PRO 120 -4.857 10.500 0.193 909 1HD PRO 120 2HD PRO 120 -5.607 7.928 -0.207 910 2HD PRO 120 3HD PRO 120 -3.903 8.356 0.109 911 H LYS 121 H LYS 121 -6.995 6.811 2.428 912 HA LYS 121 HA LYS 121 -8.923 8.055 4.360 913 1HB LYS 121 2HB LYS 121 -9.524 5.914 2.329 914 2HB LYS 121 3HB LYS 121 -10.649 6.915 3.234 915 1HG LYS 121 2HG LYS 121 -8.762 7.854 1.015 916 2HG LYS 121 3HG LYS 121 -10.502 7.640 0.910 917 1HD LYS 121 2HD LYS 121 -10.774 9.387 2.708 918 2HD LYS 121 3HD LYS 121 -9.018 9.662 2.632 919 1HE LYS 121 2HE LYS 121 -9.230 10.157 0.169 920 2HE LYS 121 3HE LYS 121 -10.987 9.966 0.302 921 1HZ LYS 121 1HZ LYS 121 -10.340 12.252 0.395 922 2HZ LYS 121 2HZ LYS 121 -10.991 11.818 1.844 923 3HZ LYS 121 3HZ LYS 121 -9.358 11.993 1.688 924 H GLU 122 H GLU 122 -7.161 5.058 3.572 925 HA GLU 122 HA GLU 122 -8.379 3.577 5.778 926 1HB GLU 122 2HB GLU 122 -6.593 2.938 3.536 927 2HB GLU 122 3HB GLU 122 -5.981 2.300 5.052 928 1HG GLU 122 2HG GLU 122 -7.263 0.592 4.144 929 2HG GLU 122 3HG GLU 122 -8.237 1.200 5.461 930 H ALA 123 H ALA 123 -5.338 5.424 5.231 931 HA ALA 123 HA ALA 123 -4.797 5.268 8.176 932 1HB ALA 123 1HB ALA 123 -2.445 4.802 7.774 933 2HB ALA 123 2HB ALA 123 -3.428 3.543 7.017 934 3HB ALA 123 3HB ALA 123 -2.703 4.819 6.017 935 H SER 124 H SER 124 -2.540 6.826 8.348 936 HA SER 124 HA SER 124 -2.806 9.256 6.796 937 1HB SER 124 2HB SER 124 -3.452 10.695 8.715 938 2HB SER 124 3HB SER 124 -4.737 9.557 8.291 939 HG SER 124 HG SER 124 -3.979 8.208 9.993 940 H VAL 125 H VAL 125 -1.211 10.913 7.580 941 HA VAL 125 HA VAL 125 1.336 10.176 8.079 942 HB VAL 125 HB VAL 125 -0.163 12.625 9.130 943 1HG1 VAL 125 1HG1 VAL 125 2.816 12.118 8.924 944 2HG1 VAL 125 2HG1 VAL 125 2.093 13.744 9.005 945 3HG1 VAL 125 3HG1 VAL 125 1.867 12.618 10.339 946 1HG2 VAL 125 1HG2 VAL 125 1.301 13.370 6.921 947 2HG2 VAL 125 2HG2 VAL 125 0.824 11.731 6.474 948 3HG2 VAL 125 3HG2 VAL 125 -0.413 12.925 6.893 949 H SER 126 H SER 126 -1.081 10.675 10.740 950 HA SER 126 HA SER 126 0.634 10.373 12.904 951 1HB SER 126 2HB SER 126 -2.195 9.290 12.561 952 2HB SER 126 3HB SER 126 -1.378 9.608 14.105 953 HG SER 126 HG SER 126 -1.261 11.810 13.502 954 H ASP 127 H ASP 127 -0.762 7.817 10.819 955 HA ASP 127 HA ASP 127 -0.016 5.563 12.443 956 1HB ASP 127 2HB ASP 127 -1.764 5.575 10.640 957 2HB ASP 127 3HB ASP 127 -0.484 5.766 9.425 958 H LEU 128 H LEU 128 1.367 7.193 9.647 959 HA LEU 128 HA LEU 128 3.695 5.588 9.256 960 1HB LEU 128 2HB LEU 128 3.193 8.509 8.579 961 2HB LEU 128 3HB LEU 128 4.523 7.541 7.966 962 HG LEU 128 HG LEU 128 1.552 7.064 7.435 963 1HD1 LEU 128 1HD1 LEU 128 2.155 7.692 5.152 964 2HD1 LEU 128 2HD1 LEU 128 2.616 8.987 6.271 965 3HD1 LEU 128 3HD1 LEU 128 3.859 7.886 5.638 966 1HD2 LEU 128 1HD2 LEU 128 2.424 5.354 5.774 967 2HD2 LEU 128 2HD2 LEU 128 4.009 5.474 6.565 968 3HD2 LEU 128 3HD2 LEU 128 2.595 4.868 7.459 969 H LYS 129 H LYS 129 3.195 8.624 11.048 970 HA LYS 129 HA LYS 129 5.862 8.883 12.028 971 1HB LYS 129 2HB LYS 129 3.185 9.877 13.074 972 2HB LYS 129 3HB LYS 129 4.704 10.259 13.851 973 1HG LYS 129 2HG LYS 129 5.102 10.783 11.041 974 2HG LYS 129 3HG LYS 129 3.495 11.348 11.431 975 1HD LYS 129 2HD LYS 129 4.949 13.172 11.625 976 2HD LYS 129 3HD LYS 129 4.422 12.789 13.256 977 1HE LYS 129 2HE LYS 129 7.088 11.830 12.050 978 2HE LYS 129 3HE LYS 129 6.916 13.398 12.834 979 1HZ LYS 129 1HZ LYS 129 6.225 12.236 14.849 980 2HZ LYS 129 2HZ LYS 129 6.542 10.786 14.140 981 3HZ LYS 129 3HZ LYS 129 7.753 11.857 14.389 982 H GLU 130 H GLU 130 2.960 7.192 13.513 983 HA GLU 130 HA GLU 130 4.392 6.478 15.847 984 1HB GLU 130 2HB GLU 130 1.825 6.323 15.364 985 2HB GLU 130 3HB GLU 130 2.210 4.764 14.612 986 1HG GLU 130 2HG GLU 130 3.618 4.540 16.928 987 2HG GLU 130 3HG GLU 130 2.353 5.634 17.483 988 H ALA 131 H ALA 131 4.001 4.873 12.680 989 HA ALA 131 HA ALA 131 5.288 2.435 13.312 990 1HB ALA 131 1HB ALA 131 5.173 3.908 10.641 991 2HB ALA 131 2HB ALA 131 5.578 2.198 10.886 992 3HB ALA 131 3HB ALA 131 3.949 2.792 11.277 993 H VAL 132 H VAL 132 6.666 5.521 11.959 994 HA VAL 132 HA VAL 132 9.307 4.358 11.979 995 HB VAL 132 HB VAL 132 8.326 7.149 11.471 996 1HG1 VAL 132 1HG1 VAL 132 10.518 7.442 12.515 997 2HG1 VAL 132 2HG1 VAL 132 11.183 6.064 11.605 998 3HG1 VAL 132 3HG1 VAL 132 10.771 7.570 10.774 999 1HG2 VAL 132 1HG2 VAL 132 9.304 6.497 9.195 1000 2HG2 VAL 132 2HG2 VAL 132 9.611 4.891 9.832 1001 3HG2 VAL 132 3HG2 VAL 132 7.943 5.482 9.701 1002 H ASP 133 H ASP 133 7.383 6.120 14.358 1003 HA ASP 133 HA ASP 133 9.441 6.734 16.144 1004 1HB ASP 133 2HB ASP 133 6.906 7.301 16.266 1005 2HB ASP 133 3HB ASP 133 6.723 5.755 17.097 1006 H LYS 134 H LYS 134 7.391 3.808 15.934 1007 HA LYS 134 HA LYS 134 8.745 2.120 17.754 1008 1HB LYS 134 2HB LYS 134 7.145 1.653 15.238 1009 2HB LYS 134 3HB LYS 134 7.972 0.301 16.001 1010 1HG LYS 134 2HG LYS 134 6.704 0.419 17.951 1011 2HG LYS 134 3HG LYS 134 6.199 2.101 17.662 1012 1HD LYS 134 2HD LYS 134 4.706 1.551 15.965 1013 2HD LYS 134 3HD LYS 134 5.415 -0.055 15.678 1014 1HE LYS 134 2HE LYS 134 4.453 -0.983 17.648 1015 2HE LYS 134 3HE LYS 134 4.083 0.617 18.327 1016 1HZ LYS 134 1HZ LYS 134 2.773 -0.423 15.904 1017 2HZ LYS 134 2HZ LYS 134 2.123 -0.467 17.426 1018 3HZ LYS 134 3HZ LYS 134 2.454 0.964 16.714 1019 H LEU 135 H LEU 135 9.485 2.594 14.242 1020 HA LEU 135 HA LEU 135 11.761 0.830 14.267 1021 1HB LEU 135 2HB LEU 135 10.868 3.082 12.494 1022 2HB LEU 135 3HB LEU 135 12.490 2.482 12.317 1023 HG LEU 135 HG LEU 135 10.779 1.491 10.769 1024 1HD1 LEU 135 1HD1 LEU 135 12.301 -0.534 12.462 1025 2HD1 LEU 135 2HD1 LEU 135 11.854 -0.673 10.753 1026 3HD1 LEU 135 3HD1 LEU 135 13.056 0.520 11.249 1027 1HD2 LEU 135 1HD2 LEU 135 8.950 1.129 12.326 1028 2HD2 LEU 135 2HD2 LEU 135 9.414 -0.373 11.569 1029 3HD2 LEU 135 3HD2 LEU 135 9.895 -0.072 13.233 1030 H GLY 136 H GLY 136 11.435 4.165 15.362 1031 1HA GLY 136 2HA GLY 136 12.771 5.046 17.041 1032 2HA GLY 136 3HA GLY 136 14.049 3.876 16.702 1033 H TYR 137 H TYR 137 12.357 6.109 14.459 1034 HA TYR 137 HA TYR 137 14.760 7.857 14.329 1035 1HB TYR 137 2HB TYR 137 13.360 6.939 11.797 1036 2HB TYR 137 3HB TYR 137 14.827 7.907 11.939 1037 HD1 TYR 137 HD1 TYR 137 13.486 4.570 11.689 1038 HD2 TYR 137 HD2 TYR 137 16.900 6.815 13.052 1039 HE1 TYR 137 HE1 TYR 137 14.758 2.459 11.995 1040 HE2 TYR 137 HE2 TYR 137 18.123 4.702 13.457 1041 HH TYR 137 HH TYR 137 16.621 1.519 13.005 1042 H LYS 138 H LYS 138 13.504 9.536 12.191 1043 HA LYS 138 HA LYS 138 10.827 10.053 13.232 1044 1HB LYS 138 2HB LYS 138 11.227 12.448 13.521 1045 2HB LYS 138 3HB LYS 138 12.080 11.484 14.729 1046 1HG LYS 138 2HG LYS 138 13.505 12.200 12.214 1047 2HG LYS 138 3HG LYS 138 13.236 13.531 13.314 1048 1HD LYS 138 2HD LYS 138 14.639 10.961 14.230 1049 2HD LYS 138 3HD LYS 138 15.464 12.205 13.319 1050 1HE LYS 138 2HE LYS 138 15.984 12.781 15.488 1051 2HE LYS 138 3HE LYS 138 14.746 13.937 15.015 1052 1HZ LYS 138 1HZ LYS 138 14.335 13.092 17.184 1053 2HZ LYS 138 2HZ LYS 138 13.139 12.552 16.185 1054 3HZ LYS 138 3HZ LYS 138 14.341 11.529 16.664 1055 H LEU 139 H LEU 139 9.513 10.960 11.705 1056 HA LEU 139 HA LEU 139 10.648 11.301 8.976 1057 1HB LEU 139 2HB LEU 139 7.822 10.720 9.932 1058 2HB LEU 139 3HB LEU 139 8.214 11.226 8.286 1059 HG LEU 139 HG LEU 139 9.253 8.718 9.623 1060 1HD1 LEU 139 1HD1 LEU 139 6.863 8.604 9.171 1061 2HD1 LEU 139 2HD1 LEU 139 7.117 9.227 7.522 1062 3HD1 LEU 139 3HD1 LEU 139 7.705 7.613 7.962 1063 1HD2 LEU 139 1HD2 LEU 139 9.931 8.108 7.258 1064 2HD2 LEU 139 2HD2 LEU 139 9.568 9.775 6.773 1065 3HD2 LEU 139 3HD2 LEU 139 10.866 9.436 7.939 1066 H LYS 140 H LYS 140 10.014 13.030 7.802 1067 HA LYS 140 HA LYS 140 8.752 15.393 9.095 1068 1HB LYS 140 2HB LYS 140 11.456 15.067 7.807 1069 2HB LYS 140 3HB LYS 140 10.587 16.574 7.480 1070 1HG LYS 140 2HG LYS 140 10.800 15.625 10.338 1071 2HG LYS 140 3HG LYS 140 12.245 16.281 9.550 1072 1HD LYS 140 2HD LYS 140 11.177 18.339 8.990 1073 2HD LYS 140 3HD LYS 140 9.574 17.749 9.477 1074 1HE LYS 140 2HE LYS 140 10.195 17.696 11.809 1075 2HE LYS 140 3HE LYS 140 11.903 17.993 11.437 1076 1HZ LYS 140 1HZ LYS 140 10.749 19.972 12.197 1077 2HZ LYS 140 2HZ LYS 140 11.339 20.166 10.675 1078 3HZ LYS 140 3HZ LYS 140 9.730 19.914 10.905 1079 H LEU 141 H LEU 141 8.125 16.976 7.169 1080 HA LEU 141 HA LEU 141 6.769 15.287 5.117 1081 1HB LEU 141 2HB LEU 141 5.777 17.948 6.160 1082 2HB LEU 141 3HB LEU 141 4.925 16.641 5.352 1083 HG LEU 141 HG LEU 141 4.122 16.768 7.502 1084 1HD1 LEU 141 1HD1 LEU 141 6.025 14.407 7.683 1085 2HD1 LEU 141 2HD1 LEU 141 4.425 14.591 8.418 1086 3HD1 LEU 141 3HD1 LEU 141 4.577 14.486 6.653 1087 1HD2 LEU 141 1HD2 LEU 141 5.888 18.079 8.574 1088 2HD2 LEU 141 2HD2 LEU 141 5.227 16.777 9.574 1089 3HD2 LEU 141 3HD2 LEU 141 6.820 16.591 8.846 1090 H LYS 142 H LYS 142 7.203 15.910 2.935 1091 HA LYS 142 HA LYS 142 8.621 18.503 2.492 1092 1HB LYS 142 2HB LYS 142 8.230 16.021 0.945 1093 2HB LYS 142 3HB LYS 142 8.025 17.484 -0.007 1094 1HG LYS 142 2HG LYS 142 10.300 16.675 -0.085 1095 2HG LYS 142 3HG LYS 142 10.203 18.314 0.548 1096 1HD LYS 142 2HD LYS 142 10.058 16.213 2.636 1097 2HD LYS 142 3HD LYS 142 11.524 16.090 1.688 1098 1HE LYS 142 2HE LYS 142 11.003 18.897 2.547 1099 2HE LYS 142 3HE LYS 142 11.067 17.788 3.906 1100 1HZ LYS 142 1HZ LYS 142 13.224 17.085 3.283 1101 2HZ LYS 142 2HZ LYS 142 13.195 17.946 1.875 1102 3HZ LYS 142 3HZ LYS 142 13.211 18.703 3.339 1103 H GLY 143 H GLY 143 6.924 19.778 3.449 1104 1HA GLY 143 2HA GLY 143 5.379 21.429 3.094 1105 2HA GLY 143 3HA GLY 143 5.130 20.860 1.441 1106 H GLU 144 H GLU 144 4.330 18.250 1.851 1107 HA GLU 144 HA GLU 144 2.526 17.019 2.061 1108 1HB GLU 144 2HB GLU 144 3.088 17.717 4.690 1109 2HB GLU 144 3HB GLU 144 1.395 18.179 4.554 1110 1HG GLU 144 2HG GLU 144 1.009 15.900 3.446 1111 2HG GLU 144 3HG GLU 144 2.667 15.482 3.943 1112 H GLN 145 H GLN 145 2.401 19.265 0.534 1113 HA GLN 145 HA GLN 145 -0.380 19.288 -0.126 1114 1HB GLN 145 2HB GLN 145 0.795 21.742 1.216 1115 2HB GLN 145 3HB GLN 145 -0.160 21.975 -0.248 1116 1HG GLN 145 2HG GLN 145 -2.004 20.572 0.887 1117 2HG GLN 145 3HG GLN 145 -1.089 20.797 2.386 1118 1HE2 GLN 145 1HE2 GLN 145 -2.176 22.817 -0.436 1119 2HE2 GLN 145 2HE2 GLN 145 -2.764 24.129 0.572 1120 H ASP 146 H ASP 146 2.499 21.355 -0.424 1121 HA ASP 146 HA ASP 146 2.807 20.860 -3.324 1122 1HB ASP 146 2HB ASP 146 1.388 23.284 -2.150 1123 2HB ASP 146 3HB ASP 146 2.343 23.455 -3.619 1124 H SER 147 H SER 147 4.569 20.485 -1.156 1125 HA SER 147 HA SER 147 6.648 21.043 -0.363 1126 1HB SER 147 2HB SER 147 7.082 20.566 -2.773 1127 2HB SER 147 3HB SER 147 6.932 22.302 -3.122 1128 HG SER 147 HG SER 147 8.624 22.645 -1.619 1129 H ILE 148 H ILE 148 4.607 22.943 0.383 1130 HA ILE 148 HA ILE 148 5.218 25.605 -0.215 1131 HB ILE 148 HB ILE 148 3.781 24.402 2.182 1132 1HG1 ILE 148 2HG1 ILE 148 2.636 25.715 -0.324 1133 2HG1 ILE 148 3HG1 ILE 148 2.861 23.971 -0.171 1134 1HG2 ILE 148 1HG2 ILE 148 2.747 26.692 2.387 1135 2HG2 ILE 148 2HG2 ILE 148 4.454 26.668 2.789 1136 3HG2 ILE 148 3HG2 ILE 148 3.927 27.296 1.214 1137 1HD1 ILE 148 1HD1 ILE 148 1.013 25.674 1.537 1138 2HD1 ILE 148 2HD1 ILE 148 0.587 24.436 0.354 1139 3HD1 ILE 148 3HD1 ILE 148 1.401 23.971 1.862 1140 H GLU 149 H GLU 149 5.942 23.899 2.851 1141 HA GLU 149 HA GLU 149 7.472 24.237 4.469 1142 1HB GLU 149 2HB GLU 149 8.740 23.327 2.416 1143 2HB GLU 149 3HB GLU 149 9.368 24.969 2.217 1144 1HG GLU 149 2HG GLU 149 11.006 23.714 3.424 1145 2HG GLU 149 3HG GLU 149 10.254 24.768 4.625 1146 H GLY 150 H GLY 150 5.915 26.301 4.646 1147 1HA GLY 150 2HA GLY 150 6.606 28.143 6.221 1148 2HA GLY 150 3HA GLY 150 7.646 28.743 4.928 1149 H ARG 151 H ARG 151 4.682 29.176 6.337 1150 HA ARG 151 HA ARG 151 2.766 30.156 5.857 1151 1HB ARG 151 2HB ARG 151 4.219 31.985 5.267 1152 2HB ARG 151 3HB ARG 151 4.315 31.448 3.578 1153 1HG ARG 151 2HG ARG 151 2.163 32.096 3.080 1154 2HG ARG 151 3HG ARG 151 1.567 31.902 4.728 1155 1HD ARG 151 2HD ARG 151 2.344 33.923 5.463 1156 2HD ARG 151 3HD ARG 151 3.682 34.004 4.331 1157 HE ARG 151 HE ARG 151 0.972 34.993 3.932 1158 1HH1 ARG 151 2HH2 ARG 151 3.708 33.603 2.240 1159 2HH1 ARG 151 1HH2 ARG 151 3.523 34.512 0.772 1160 1HH2 ARG 151 2HH1 ARG 151 0.586 36.176 1.955 1161 2HH2 ARG 151 1HH1 ARG 151 1.645 35.976 0.598 Start of MODEL 22 1 1H MET 1 H1 MET 1 -2.250 -20.686 9.142 2 2H MET 1 H2 MET 1 -3.505 -21.035 10.158 3 3H MET 1 H3 MET 1 -2.420 -19.855 10.554 4 HA MET 1 HA MET 1 -2.039 -21.756 11.846 5 1HB MET 1 2HB MET 1 -2.658 -23.156 9.471 6 2HB MET 1 3HB MET 1 -0.950 -23.501 9.744 7 1HG MET 1 2HG MET 1 -1.462 -24.227 12.051 8 2HG MET 1 3HG MET 1 -3.176 -23.856 11.785 9 1HE MET 1 1HE MET 1 -3.909 -26.227 12.603 10 2HE MET 1 2HE MET 1 -3.218 -27.739 11.973 11 3HE MET 1 3HE MET 1 -2.201 -26.629 12.920 12 H LEU 2 H LEU 2 0.033 -21.718 8.851 13 HA LEU 2 HA LEU 2 1.990 -19.994 10.202 14 1HB LEU 2 2HB LEU 2 2.201 -22.904 10.014 15 2HB LEU 2 3HB LEU 2 3.401 -22.202 8.961 16 HG LEU 2 HG LEU 2 3.378 -20.857 11.599 17 1HD1 LEU 2 1HD1 LEU 2 4.318 -22.743 12.853 18 2HD1 LEU 2 2HD1 LEU 2 2.634 -23.045 12.388 19 3HD1 LEU 2 3HD1 LEU 2 3.956 -23.840 11.501 20 1HD2 LEU 2 1HD2 LEU 2 5.179 -20.669 9.884 21 2HD2 LEU 2 2HD2 LEU 2 5.783 -21.304 11.427 22 3HD2 LEU 2 3HD2 LEU 2 5.512 -22.405 10.062 23 H SER 3 H SER 3 2.192 -18.405 8.720 24 HA SER 3 HA SER 3 3.114 -18.781 6.068 25 1HB SER 3 2HB SER 3 0.217 -17.829 6.422 26 2HB SER 3 3HB SER 3 1.177 -17.725 4.930 27 HG SER 3 HG SER 3 1.177 -20.254 5.773 28 H GLU 4 H GLU 4 3.356 -16.498 5.115 29 HA GLU 4 HA GLU 4 3.270 -14.341 7.200 30 1HB GLU 4 2HB GLU 4 5.126 -14.823 4.841 31 2HB GLU 4 3HB GLU 4 5.031 -13.281 5.705 32 1HG GLU 4 2HG GLU 4 5.702 -14.269 7.790 33 2HG GLU 4 3HG GLU 4 5.593 -15.912 7.137 34 H GLN 5 H GLN 5 1.000 -15.238 5.809 35 HA GLN 5 HA GLN 5 0.289 -13.552 3.587 36 1HB GLN 5 2HB GLN 5 -1.299 -15.002 5.751 37 2HB GLN 5 3HB GLN 5 -2.085 -14.127 4.436 38 1HG GLN 5 2HG GLN 5 0.028 -16.237 3.849 39 2HG GLN 5 3HG GLN 5 -1.652 -16.697 4.166 40 1HE2 GLN 5 1HE2 GLN 5 0.271 -16.586 1.676 41 2HE2 GLN 5 2HE2 GLN 5 -0.875 -16.035 0.456 42 H LYS 6 H LYS 6 -1.091 -11.680 3.657 43 HA LYS 6 HA LYS 6 -1.722 -10.468 6.215 44 1HB LYS 6 2HB LYS 6 -0.521 -8.369 5.816 45 2HB LYS 6 3HB LYS 6 0.583 -9.727 5.975 46 1HG LYS 6 2HG LYS 6 1.472 -8.528 4.246 47 2HG LYS 6 3HG LYS 6 0.671 -9.844 3.399 48 1HD LYS 6 2HD LYS 6 -0.904 -8.432 2.410 49 2HD LYS 6 3HD LYS 6 -0.987 -7.372 3.839 50 1HE LYS 6 2HE LYS 6 1.274 -6.527 3.284 51 2HE LYS 6 3HE LYS 6 1.228 -7.484 1.770 52 1HZ LYS 6 1HZ LYS 6 -0.737 -5.413 2.512 53 2HZ LYS 6 2HZ LYS 6 0.553 -5.109 1.541 54 3HZ LYS 6 3HZ LYS 6 -0.575 -6.177 1.040 55 H GLU 7 H GLU 7 -3.278 -8.851 5.976 56 HA GLU 7 HA GLU 7 -4.706 -8.815 3.400 57 1HB GLU 7 2HB GLU 7 -6.447 -7.618 4.738 58 2HB GLU 7 3HB GLU 7 -6.131 -9.281 5.237 59 1HG GLU 7 2HG GLU 7 -4.838 -6.959 6.704 60 2HG GLU 7 3HG GLU 7 -6.467 -7.534 7.071 61 H ILE 8 H ILE 8 -4.902 -7.033 2.145 62 HA ILE 8 HA ILE 8 -4.030 -4.385 3.269 63 HB ILE 8 HB ILE 8 -2.359 -4.756 1.744 64 1HG1 ILE 8 2HG1 ILE 8 -3.784 -2.646 1.358 65 2HG1 ILE 8 3HG1 ILE 8 -2.389 -3.071 0.365 66 1HG2 ILE 8 1HG2 ILE 8 -4.332 -5.976 -0.193 67 2HG2 ILE 8 2HG2 ILE 8 -2.639 -5.564 -0.549 68 3HG2 ILE 8 3HG2 ILE 8 -3.013 -6.780 0.689 69 1HD1 ILE 8 1HD1 ILE 8 -4.197 -2.256 -1.054 70 2HD1 ILE 8 2HD1 ILE 8 -3.875 -3.929 -1.434 71 3HD1 ILE 8 3HD1 ILE 8 -5.301 -3.502 -0.463 72 H ALA 9 H ALA 9 -5.752 -3.117 3.521 73 HA ALA 9 HA ALA 9 -8.232 -3.651 1.980 74 1HB ALA 9 1HB ALA 9 -7.751 -2.505 4.762 75 2HB ALA 9 2HB ALA 9 -9.325 -2.598 3.954 76 3HB ALA 9 3HB ALA 9 -8.452 -4.088 4.369 77 H MET 10 H MET 10 -7.929 -2.250 0.230 78 HA MET 10 HA MET 10 -7.395 0.654 0.915 79 1HB MET 10 2HB MET 10 -6.435 -0.981 -1.431 80 2HB MET 10 3HB MET 10 -6.605 0.768 -1.548 81 1HG MET 10 2HG MET 10 -4.837 -0.622 0.509 82 2HG MET 10 3HG MET 10 -4.309 0.049 -1.010 83 1HE MET 10 1HE MET 10 -5.205 0.433 2.415 84 2HE MET 10 2HE MET 10 -4.712 2.068 2.917 85 3HE MET 10 3HE MET 10 -6.344 1.755 2.309 86 H GLN 11 H GLN 11 -8.447 2.319 -0.339 87 HA GLN 11 HA GLN 11 -11.147 1.413 -1.068 88 1HB GLN 11 2HB GLN 11 -9.874 4.074 -0.630 89 2HB GLN 11 3HB GLN 11 -11.310 3.970 -1.665 90 1HG GLN 11 2HG GLN 11 -12.633 2.894 0.004 91 2HG GLN 11 3HG GLN 11 -11.261 2.807 1.132 92 1HE2 GLN 11 1HE2 GLN 11 -13.922 4.164 1.434 93 2HE2 GLN 11 2HE2 GLN 11 -13.483 5.837 1.792 94 H VAL 12 H VAL 12 -11.997 1.288 -3.055 95 HA VAL 12 HA VAL 12 -10.287 1.914 -5.389 96 HB VAL 12 HB VAL 12 -10.310 -0.474 -5.069 97 1HG1 VAL 12 1HG1 VAL 12 -13.352 -0.286 -4.890 98 2HG1 VAL 12 2HG1 VAL 12 -12.437 -1.793 -5.072 99 3HG1 VAL 12 3HG1 VAL 12 -12.241 -0.819 -3.611 100 1HG2 VAL 12 1HG2 VAL 12 -11.229 -1.236 -7.141 101 2HG2 VAL 12 2HG2 VAL 12 -12.343 0.142 -7.222 102 3HG2 VAL 12 3HG2 VAL 12 -10.584 0.399 -7.377 103 H SER 13 H SER 13 -11.497 2.592 -7.278 104 HA SER 13 HA SER 13 -14.336 3.372 -6.788 105 1HB SER 13 2HB SER 13 -12.284 5.045 -8.254 106 2HB SER 13 3HB SER 13 -13.963 5.484 -7.876 107 HG SER 13 HG SER 13 -12.961 4.894 -5.579 108 H GLY 14 H GLY 14 -15.416 3.831 -8.880 109 1HA GLY 14 2HA GLY 14 -15.799 3.384 -11.164 110 2HA GLY 14 3HA GLY 14 -14.358 2.363 -11.247 111 H MET 15 H MET 15 -15.782 1.534 -8.376 112 HA MET 15 HA MET 15 -16.801 -0.991 -9.321 113 1HB MET 15 2HB MET 15 -16.580 0.472 -6.697 114 2HB MET 15 3HB MET 15 -17.880 -0.676 -6.834 115 1HG MET 15 2HG MET 15 -15.837 -2.216 -7.833 116 2HG MET 15 3HG MET 15 -14.952 -1.159 -6.739 117 1HE MET 15 1HE MET 15 -18.368 -4.078 -5.583 118 2HE MET 15 2HE MET 15 -18.752 -2.470 -6.167 119 3HE MET 15 3HE MET 15 -17.902 -3.619 -7.231 120 H THR 16 H THR 16 -18.445 -0.877 -10.783 121 HA THR 16 HA THR 16 -20.711 0.813 -10.495 122 HB THR 16 HB THR 16 -20.618 -1.857 -11.955 123 HG1 THR 16 1HG THR 16 -19.383 0.606 -12.461 124 1HG2 THR 16 1HG2 THR 16 -22.068 -0.686 -13.591 125 2HG2 THR 16 2HG2 THR 16 -22.842 -0.855 -12.010 126 3HG2 THR 16 3HG2 THR 16 -22.159 0.713 -12.501 127 H CYS 17 H CYS 17 -19.932 -2.148 -8.865 128 HA CYS 17 HA CYS 17 -20.873 -2.958 -6.949 129 1HB CYS 17 2HB CYS 17 -21.737 -0.754 -6.337 130 2HB CYS 17 3HB CYS 17 -23.234 -1.056 -7.256 131 HG CYS 17 HG CYS 17 -23.620 -1.382 -4.711 132 H ALA 18 H ALA 18 -20.760 -4.664 -8.442 133 HA ALA 18 HA ALA 18 -22.783 -6.486 -8.453 134 1HB ALA 18 1HB ALA 18 -24.134 -5.131 -10.013 135 2HB ALA 18 2HB ALA 18 -22.748 -4.946 -11.103 136 3HB ALA 18 3HB ALA 18 -23.521 -6.534 -10.857 137 H ALA 19 H ALA 19 -21.647 -6.772 -11.557 138 HA ALA 19 HA ALA 19 -19.800 -8.777 -10.944 139 1HB ALA 19 1HB ALA 19 -19.361 -8.740 -13.367 140 2HB ALA 19 2HB ALA 19 -21.101 -8.554 -13.050 141 3HB ALA 19 3HB ALA 19 -20.110 -7.126 -13.467 142 H CYS 20 H CYS 20 -19.190 -5.341 -10.943 143 HA CYS 20 HA CYS 20 -16.613 -5.254 -12.093 144 1HB CYS 20 2HB CYS 20 -18.046 -3.557 -10.004 145 2HB CYS 20 3HB CYS 20 -16.392 -3.189 -10.527 146 HG CYS 20 HG CYS 20 -16.835 -2.907 -13.015 147 H ALA 21 H ALA 21 -17.565 -5.384 -8.685 148 HA ALA 21 HA ALA 21 -15.135 -5.976 -7.415 149 1HB ALA 21 1HB ALA 21 -16.999 -5.719 -5.995 150 2HB ALA 21 2HB ALA 21 -18.021 -6.836 -6.929 151 3HB ALA 21 3HB ALA 21 -16.711 -7.459 -5.919 152 H ALA 22 H ALA 22 -17.502 -8.300 -8.761 153 HA ALA 22 HA ALA 22 -16.032 -10.610 -8.171 154 1HB ALA 22 1HB ALA 22 -17.916 -10.235 -10.529 155 2HB ALA 22 2HB ALA 22 -17.446 -11.766 -9.767 156 3HB ALA 22 3HB ALA 22 -18.411 -10.587 -8.856 157 H ARG 23 H ARG 23 -15.809 -8.483 -11.021 158 HA ARG 23 HA ARG 23 -14.033 -10.184 -12.485 159 1HB ARG 23 2HB ARG 23 -15.074 -7.372 -12.719 160 2HB ARG 23 3HB ARG 23 -13.485 -7.639 -13.420 161 1HG ARG 23 2HG ARG 23 -15.967 -9.256 -14.071 162 2HG ARG 23 3HG ARG 23 -15.246 -7.970 -15.056 163 1HD ARG 23 2HD ARG 23 -13.064 -9.659 -14.546 164 2HD ARG 23 3HD ARG 23 -14.357 -10.817 -14.721 165 HE ARG 23 HE ARG 23 -13.037 -9.260 -16.756 166 1HH1 ARG 23 2HH2 ARG 23 -16.250 -10.408 -15.955 167 2HH1 ARG 23 1HH2 ARG 23 -16.828 -10.505 -17.593 168 1HH2 ARG 23 2HH1 ARG 23 -13.751 -9.316 -18.960 169 2HH2 ARG 23 1HH1 ARG 23 -15.352 -9.848 -19.347 170 H ILE 24 H ILE 24 -13.501 -7.446 -10.169 171 HA ILE 24 HA ILE 24 -10.640 -7.505 -10.544 172 HB ILE 24 HB ILE 24 -12.378 -6.520 -8.258 173 1HG1 ILE 24 2HG1 ILE 24 -10.750 -4.921 -10.293 174 2HG1 ILE 24 3HG1 ILE 24 -12.402 -5.403 -10.674 175 1HG2 ILE 24 1HG2 ILE 24 -10.397 -5.347 -7.455 176 2HG2 ILE 24 2HG2 ILE 24 -10.183 -7.094 -7.421 177 3HG2 ILE 24 3HG2 ILE 24 -9.425 -6.132 -8.718 178 1HD1 ILE 24 1HD1 ILE 24 -11.730 -3.771 -8.199 179 2HD1 ILE 24 2HD1 ILE 24 -12.172 -3.099 -9.764 180 3HD1 ILE 24 3HD1 ILE 24 -13.333 -4.126 -8.897 181 H GLU 25 H GLU 25 -12.817 -8.943 -8.025 182 HA GLU 25 HA GLU 25 -10.873 -10.262 -6.545 183 1HB GLU 25 2HB GLU 25 -13.759 -11.013 -7.154 184 2HB GLU 25 3HB GLU 25 -12.782 -11.788 -5.894 185 1HG GLU 25 2HG GLU 25 -12.569 -9.748 -4.647 186 2HG GLU 25 3HG GLU 25 -13.257 -8.772 -5.946 187 H LYS 26 H LYS 26 -12.757 -11.585 -9.350 188 HA LYS 26 HA LYS 26 -11.389 -14.052 -9.361 189 1HB LYS 26 2HB LYS 26 -13.612 -13.464 -10.517 190 2HB LYS 26 3HB LYS 26 -12.601 -12.848 -11.843 191 1HG LYS 26 2HG LYS 26 -11.373 -15.219 -11.359 192 2HG LYS 26 3HG LYS 26 -12.964 -15.652 -10.755 193 1HD LYS 26 2HD LYS 26 -12.349 -14.555 -13.547 194 2HD LYS 26 3HD LYS 26 -12.459 -16.274 -13.137 195 1HE LYS 26 2HE LYS 26 -14.829 -15.913 -12.358 196 2HE LYS 26 3HE LYS 26 -14.729 -14.237 -12.928 197 1HZ LYS 26 1HZ LYS 26 -14.333 -15.110 -15.148 198 2HZ LYS 26 2HZ LYS 26 -14.419 -16.657 -14.595 199 3HZ LYS 26 3HZ LYS 26 -15.748 -15.694 -14.544 200 H GLY 27 H GLY 27 -10.754 -10.988 -11.092 201 1HA GLY 27 2HA GLY 27 -8.756 -11.931 -12.895 202 2HA GLY 27 3HA GLY 27 -8.985 -10.261 -12.338 203 H LEU 28 H LEU 28 -8.635 -10.594 -9.602 204 HA LEU 28 HA LEU 28 -5.766 -10.758 -9.338 205 1HB LEU 28 2HB LEU 28 -8.121 -10.209 -7.500 206 2HB LEU 28 3HB LEU 28 -6.536 -10.519 -6.815 207 HG LEU 28 HG LEU 28 -7.023 -8.068 -7.094 208 1HD1 LEU 28 1HD1 LEU 28 -4.654 -8.982 -8.764 209 2HD1 LEU 28 2HD1 LEU 28 -4.875 -7.489 -7.840 210 3HD1 LEU 28 3HD1 LEU 28 -4.760 -9.048 -6.992 211 1HD2 LEU 28 1HD2 LEU 28 -8.247 -8.040 -9.215 212 2HD2 LEU 28 2HD2 LEU 28 -6.888 -6.957 -9.185 213 3HD2 LEU 28 3HD2 LEU 28 -6.773 -8.493 -10.084 214 H LYS 29 H LYS 29 -8.490 -12.888 -8.377 215 HA LYS 29 HA LYS 29 -7.023 -14.865 -7.058 216 1HB LYS 29 2HB LYS 29 -9.667 -14.589 -7.727 217 2HB LYS 29 3HB LYS 29 -9.185 -15.798 -8.897 218 1HG LYS 29 2HG LYS 29 -9.799 -17.174 -7.170 219 2HG LYS 29 3HG LYS 29 -8.105 -16.962 -6.752 220 1HD LYS 29 2HD LYS 29 -9.383 -16.713 -4.755 221 2HD LYS 29 3HD LYS 29 -8.790 -15.099 -5.167 222 1HE LYS 29 2HE LYS 29 -10.970 -14.380 -5.931 223 2HE LYS 29 3HE LYS 29 -11.574 -16.042 -5.991 224 1HZ LYS 29 1HZ LYS 29 -12.415 -14.843 -4.101 225 2HZ LYS 29 2HZ LYS 29 -11.494 -16.096 -3.588 226 3HZ LYS 29 3HZ LYS 29 -10.923 -14.558 -3.512 227 H ARG 30 H ARG 30 -7.022 -14.118 -10.468 228 HA ARG 30 HA ARG 30 -6.041 -16.496 -11.586 229 1HB ARG 30 2HB ARG 30 -6.731 -14.252 -12.650 230 2HB ARG 30 3HB ARG 30 -5.078 -13.716 -12.337 231 1HG ARG 30 2HG ARG 30 -4.151 -15.332 -13.808 232 2HG ARG 30 3HG ARG 30 -5.668 -16.239 -13.931 233 1HD ARG 30 2HD ARG 30 -6.637 -14.805 -15.397 234 2HD ARG 30 3HD ARG 30 -5.869 -13.361 -14.700 235 HE ARG 30 HE ARG 30 -3.789 -14.756 -15.890 236 1HH1 ARG 30 2HH2 ARG 30 -6.829 -13.356 -16.993 237 2HH1 ARG 30 1HH2 ARG 30 -6.233 -12.850 -18.544 238 1HH2 ARG 30 2HH1 ARG 30 -2.932 -14.037 -17.922 239 2HH2 ARG 30 1HH1 ARG 30 -3.954 -13.243 -19.073 240 H MET 31 H MET 31 -4.408 -14.238 -9.403 241 HA MET 31 HA MET 31 -1.727 -15.207 -10.105 242 1HB MET 31 2HB MET 31 -2.854 -13.109 -8.226 243 2HB MET 31 3HB MET 31 -1.148 -13.551 -8.207 244 1HG MET 31 2HG MET 31 -2.391 -12.974 -10.883 245 2HG MET 31 3HG MET 31 -2.086 -11.618 -9.819 246 1HE MET 31 1HE MET 31 -0.805 -12.533 -12.824 247 2HE MET 31 2HE MET 31 -0.612 -10.913 -12.096 248 3HE MET 31 3HE MET 31 0.820 -11.836 -12.625 249 HA PRO 32 HA PRO 32 -1.802 -18.444 -7.173 250 1HB PRO 32 2HB PRO 32 0.855 -18.827 -6.581 251 2HB PRO 32 3HB PRO 32 0.122 -19.221 -8.162 252 1HG PRO 32 2HG PRO 32 1.621 -16.701 -7.396 253 2HG PRO 32 3HG PRO 32 1.868 -17.727 -8.838 254 1HD PRO 32 2HD PRO 32 0.355 -15.478 -8.970 255 2HD PRO 32 3HD PRO 32 -0.150 -16.957 -9.840 256 H GLY 33 H GLY 33 0.140 -15.527 -6.063 257 1HA GLY 33 2HA GLY 33 0.296 -16.435 -3.373 258 2HA GLY 33 3HA GLY 33 0.597 -14.804 -3.995 259 H VAL 34 H VAL 34 -2.266 -14.972 -5.252 260 HA VAL 34 HA VAL 34 -3.652 -13.611 -3.111 261 HB VAL 34 HB VAL 34 -4.502 -14.494 -5.872 262 1HG1 VAL 34 1HG1 VAL 34 -6.082 -13.045 -3.709 263 2HG1 VAL 34 2HG1 VAL 34 -6.522 -13.070 -5.432 264 3HG1 VAL 34 3HG1 VAL 34 -6.504 -14.575 -4.508 265 1HG2 VAL 34 1HG2 VAL 34 -4.008 -11.772 -4.564 266 2HG2 VAL 34 2HG2 VAL 34 -2.907 -12.573 -5.706 267 3HG2 VAL 34 3HG2 VAL 34 -4.504 -12.031 -6.239 268 H THR 35 H THR 35 -4.069 -14.679 -1.333 269 HA THR 35 HA THR 35 -4.862 -17.486 -1.449 270 HB THR 35 HB THR 35 -4.328 -15.549 0.803 271 HG1 THR 35 1HG THR 35 -2.587 -17.086 0.998 272 1HG2 THR 35 1HG2 THR 35 -5.149 -18.484 0.964 273 2HG2 THR 35 2HG2 THR 35 -4.473 -17.532 2.306 274 3HG2 THR 35 3HG2 THR 35 -6.048 -17.098 1.627 275 H ASP 36 H ASP 36 -6.198 -14.247 -0.478 276 HA ASP 36 HA ASP 36 -8.816 -15.210 -1.350 277 1HB ASP 36 2HB ASP 36 -8.610 -15.791 1.112 278 2HB ASP 36 3HB ASP 36 -8.506 -14.064 1.454 279 H ALA 37 H ALA 37 -10.306 -13.349 -1.489 280 HA ALA 37 HA ALA 37 -9.077 -10.734 -1.962 281 1HB ALA 37 1HB ALA 37 -9.992 -12.385 -4.372 282 2HB ALA 37 2HB ALA 37 -9.560 -10.669 -4.389 283 3HB ALA 37 3HB ALA 37 -8.325 -11.885 -4.019 284 H ASN 38 H ASN 38 -10.635 -9.468 -1.143 285 HA ASN 38 HA ASN 38 -13.506 -10.129 -1.604 286 1HB ASN 38 2HB ASN 38 -12.139 -9.427 1.033 287 2HB ASN 38 3HB ASN 38 -13.888 -9.471 0.774 288 1HD2 ASN 38 1HD2 ASN 38 -10.928 -11.476 0.721 289 2HD2 ASN 38 2HD2 ASN 38 -11.761 -13.020 0.761 290 H VAL 39 H VAL 39 -14.864 -8.174 -1.279 291 HA VAL 39 HA VAL 39 -13.475 -5.611 -0.982 292 HB VAL 39 HB VAL 39 -13.172 -5.991 -3.330 293 1HG1 VAL 39 1HG1 VAL 39 -15.128 -7.577 -3.653 294 2HG1 VAL 39 2HG1 VAL 39 -16.173 -6.152 -3.735 295 3HG1 VAL 39 3HG1 VAL 39 -14.857 -6.374 -4.915 296 1HG2 VAL 39 1HG2 VAL 39 -15.421 -3.969 -2.984 297 2HG2 VAL 39 2HG2 VAL 39 -13.727 -3.663 -2.571 298 3HG2 VAL 39 3HG2 VAL 39 -14.170 -4.006 -4.246 299 H ASN 40 H ASN 40 -14.460 -4.607 0.474 300 HA ASN 40 HA ASN 40 -17.343 -5.089 1.039 301 1HB ASN 40 2HB ASN 40 -15.132 -3.521 2.420 302 2HB ASN 40 3HB ASN 40 -16.853 -3.238 2.749 303 1HD2 ASN 40 1HD2 ASN 40 -16.932 -3.929 4.846 304 2HD2 ASN 40 2HD2 ASN 40 -16.747 -5.624 5.254 305 H LEU 41 H LEU 41 -17.802 -4.451 -1.145 306 HA LEU 41 HA LEU 41 -17.524 -1.886 -2.213 307 1HB LEU 41 2HB LEU 41 -19.312 -2.398 -3.669 308 2HB LEU 41 3HB LEU 41 -18.354 -3.848 -3.370 309 HG LEU 41 HG LEU 41 -20.186 -4.544 -1.763 310 1HD1 LEU 41 1HD1 LEU 41 -22.493 -3.520 -2.545 311 2HD1 LEU 41 2HD1 LEU 41 -21.591 -2.666 -1.316 312 3HD1 LEU 41 3HD1 LEU 41 -21.517 -2.108 -2.996 313 1HD2 LEU 41 1HD2 LEU 41 -19.886 -5.514 -3.996 314 2HD2 LEU 41 2HD2 LEU 41 -21.613 -5.348 -3.653 315 3HD2 LEU 41 3HD2 LEU 41 -20.807 -4.181 -4.723 316 H ALA 42 H ALA 42 -19.522 -2.895 0.414 317 HA ALA 42 HA ALA 42 -21.348 -0.770 0.559 318 1HB ALA 42 1HB ALA 42 -21.437 -1.313 2.992 319 2HB ALA 42 2HB ALA 42 -21.450 -2.785 2.001 320 3HB ALA 42 3HB ALA 42 -19.959 -2.285 2.828 321 H THR 43 H THR 43 -17.939 -0.995 1.561 322 HA THR 43 HA THR 43 -17.840 1.915 2.160 323 HB THR 43 HB THR 43 -15.745 1.147 3.344 324 HG1 THR 43 1HG THR 43 -15.979 -0.996 1.941 325 1HG2 THR 43 1HG2 THR 43 -18.191 -0.493 4.188 326 2HG2 THR 43 2HG2 THR 43 -16.934 0.195 5.221 327 3HG2 THR 43 3HG2 THR 43 -18.108 1.259 4.402 328 H GLU 44 H GLU 44 -17.548 0.155 -0.549 329 HA GLU 44 HA GLU 44 -16.095 -0.156 -2.275 330 1HB GLU 44 2HB GLU 44 -16.154 2.813 -1.782 331 2HB GLU 44 3HB GLU 44 -15.019 2.193 -2.973 332 1HG GLU 44 2HG GLU 44 -16.825 0.997 -4.151 333 2HG GLU 44 3HG GLU 44 -18.003 1.706 -3.029 334 H THR 45 H THR 45 -14.912 -1.254 -0.059 335 HA THR 45 HA THR 45 -12.095 -0.343 -0.163 336 HB THR 45 HB THR 45 -13.742 -1.497 2.111 337 HG1 THR 45 1HG THR 45 -13.145 1.024 1.217 338 1HG2 THR 45 1HG2 THR 45 -11.743 -2.206 2.834 339 2HG2 THR 45 2HG2 THR 45 -10.864 -1.246 1.622 340 3HG2 THR 45 3HG2 THR 45 -11.407 -0.499 3.147 341 H VAL 46 H VAL 46 -10.933 -1.741 -1.324 342 HA VAL 46 HA VAL 46 -11.815 -4.520 -1.717 343 HB VAL 46 HB VAL 46 -11.273 -3.401 -3.725 344 1HG1 VAL 46 1HG1 VAL 46 -9.843 -1.555 -3.015 345 2HG1 VAL 46 2HG1 VAL 46 -8.540 -2.681 -2.563 346 3HG1 VAL 46 3HG1 VAL 46 -9.042 -2.507 -4.248 347 1HG2 VAL 46 1HG2 VAL 46 -10.537 -5.766 -3.464 348 2HG2 VAL 46 2HG2 VAL 46 -9.554 -4.850 -4.626 349 3HG2 VAL 46 3HG2 VAL 46 -8.925 -5.170 -3.003 350 H ASN 47 H ASN 47 -11.011 -6.107 -0.562 351 HA ASN 47 HA ASN 47 -8.701 -5.565 1.222 352 1HB ASN 47 2HB ASN 47 -11.148 -7.325 1.662 353 2HB ASN 47 3HB ASN 47 -9.755 -7.240 2.750 354 1HD2 ASN 47 1HD2 ASN 47 -12.153 -6.767 3.904 355 2HD2 ASN 47 2HD2 ASN 47 -12.335 -5.053 4.224 356 H VAL 48 H VAL 48 -7.048 -6.582 0.164 357 HA VAL 48 HA VAL 48 -7.582 -9.286 -1.056 358 HB VAL 48 HB VAL 48 -5.143 -7.673 -1.748 359 1HG1 VAL 48 1HG1 VAL 48 -5.477 -10.136 -2.408 360 2HG1 VAL 48 2HG1 VAL 48 -6.890 -9.625 -3.335 361 3HG1 VAL 48 3HG1 VAL 48 -5.281 -9.034 -3.783 362 1HG2 VAL 48 1HG2 VAL 48 -6.390 -6.831 -3.758 363 2HG2 VAL 48 2HG2 VAL 48 -7.902 -7.359 -2.991 364 3HG2 VAL 48 3HG2 VAL 48 -6.903 -6.086 -2.240 365 H ILE 49 H ILE 49 -6.514 -11.055 -0.257 366 HA ILE 49 HA ILE 49 -4.462 -10.576 1.815 367 HB ILE 49 HB ILE 49 -6.479 -12.854 1.843 368 1HG1 ILE 49 2HG1 ILE 49 -7.133 -11.461 4.042 369 2HG1 ILE 49 3HG1 ILE 49 -6.566 -10.099 3.076 370 1HG2 ILE 49 1HG2 ILE 49 -4.501 -11.860 3.924 371 2HG2 ILE 49 2HG2 ILE 49 -5.620 -13.227 4.094 372 3HG2 ILE 49 3HG2 ILE 49 -4.307 -13.311 2.920 373 1HD1 ILE 49 1HD1 ILE 49 -8.279 -10.727 1.315 374 2HD1 ILE 49 2HD1 ILE 49 -8.816 -12.033 2.391 375 3HD1 ILE 49 3HD1 ILE 49 -8.977 -10.346 2.895 376 H TYR 50 H TYR 50 -2.508 -11.442 1.207 377 HA TYR 50 HA TYR 50 -2.445 -13.825 -0.475 378 1HB TYR 50 2HB TYR 50 -1.174 -12.573 -2.319 379 2HB TYR 50 3HB TYR 50 -2.840 -12.023 -2.137 380 HD1 TYR 50 HD1 TYR 50 -3.450 -9.883 -1.533 381 HD2 TYR 50 HD2 TYR 50 0.691 -11.062 -1.450 382 HE1 TYR 50 HE1 TYR 50 -2.773 -7.535 -1.508 383 HE2 TYR 50 HE2 TYR 50 1.331 -8.723 -0.922 384 HH TYR 50 HH TYR 50 -0.543 -6.025 -1.233 385 H ASP 51 H ASP 51 -0.092 -14.311 -1.120 386 HA ASP 51 HA ASP 51 1.490 -13.861 1.320 387 1HB ASP 51 2HB ASP 51 1.258 -16.107 -0.323 388 2HB ASP 51 3HB ASP 51 2.825 -15.459 -0.761 389 HA PRO 52 HA PRO 52 3.534 -10.585 -0.968 390 1HB PRO 52 2HB PRO 52 5.089 -9.515 1.001 391 2HB PRO 52 3HB PRO 52 3.304 -9.471 1.094 392 1HG PRO 52 2HG PRO 52 5.159 -11.513 2.368 393 2HG PRO 52 3HG PRO 52 3.892 -10.547 3.181 394 1HD PRO 52 2HD PRO 52 3.448 -13.079 2.275 395 2HD PRO 52 3HD PRO 52 2.171 -11.827 2.199 396 H ALA 53 H ALA 53 4.477 -13.244 -1.447 397 HA ALA 53 HA ALA 53 7.232 -12.706 -2.205 398 1HB ALA 53 1HB ALA 53 6.662 -14.949 -0.208 399 2HB ALA 53 2HB ALA 53 8.232 -14.593 -0.954 400 3HB ALA 53 3HB ALA 53 7.521 -13.440 0.196 401 H GLU 54 H GLU 54 4.686 -13.425 -3.367 402 HA GLU 54 HA GLU 54 5.738 -15.485 -5.191 403 1HB GLU 54 2HB GLU 54 2.917 -15.548 -3.995 404 2HB GLU 54 3HB GLU 54 3.399 -16.389 -5.473 405 1HG GLU 54 2HG GLU 54 5.226 -17.530 -4.081 406 2HG GLU 54 3HG GLU 54 4.359 -16.928 -2.653 407 H THR 55 H THR 55 3.183 -13.050 -4.498 408 HA THR 55 HA THR 55 2.872 -12.564 -7.411 409 HB THR 55 HB THR 55 1.069 -12.354 -4.995 410 HG1 THR 55 1HG THR 55 1.170 -13.875 -7.376 411 1HG2 THR 55 1HG2 THR 55 0.549 -11.371 -7.828 412 2HG2 THR 55 2HG2 THR 55 -0.686 -11.650 -6.570 413 3HG2 THR 55 3HG2 THR 55 0.579 -10.437 -6.308 414 H GLY 56 H GLY 56 2.223 -10.370 -4.607 415 1HA GLY 56 2HA GLY 56 4.022 -8.709 -4.122 416 2HA GLY 56 3HA GLY 56 4.084 -8.374 -5.853 417 H THR 57 H THR 57 2.913 -7.184 -3.084 418 HA THR 57 HA THR 57 0.285 -6.415 -3.474 419 HB THR 57 HB THR 57 1.771 -5.962 -1.479 420 HG1 THR 57 1HG THR 57 0.376 -3.627 -2.153 421 1HG2 THR 57 1HG2 THR 57 2.874 -3.850 -1.227 422 2HG2 THR 57 2HG2 THR 57 3.607 -4.733 -2.578 423 3HG2 THR 57 3HG2 THR 57 2.482 -3.382 -2.881 424 H ALA 58 H ALA 58 3.187 -4.949 -4.919 425 HA ALA 58 HA ALA 58 1.929 -2.802 -6.259 426 1HB ALA 58 1HB ALA 58 3.943 -2.825 -7.694 427 2HB ALA 58 2HB ALA 58 4.364 -2.979 -5.978 428 3HB ALA 58 3HB ALA 58 4.406 -4.410 -7.037 429 H ALA 59 H ALA 59 2.308 -6.284 -7.227 430 HA ALA 59 HA ALA 59 1.417 -5.732 -9.961 431 1HB ALA 59 1HB ALA 59 1.288 -8.135 -10.161 432 2HB ALA 59 2HB ALA 59 2.854 -7.648 -9.462 433 3HB ALA 59 3HB ALA 59 1.580 -8.336 -8.416 434 H ILE 60 H ILE 60 0.028 -6.861 -6.885 435 HA ILE 60 HA ILE 60 -2.576 -7.453 -7.850 436 HB ILE 60 HB ILE 60 -1.423 -6.783 -5.174 437 1HG1 ILE 60 2HG1 ILE 60 -2.664 -9.249 -6.506 438 2HG1 ILE 60 3HG1 ILE 60 -0.952 -8.890 -6.355 439 1HG2 ILE 60 1HG2 ILE 60 -3.506 -7.279 -4.058 440 2HG2 ILE 60 2HG2 ILE 60 -3.646 -5.818 -5.019 441 3HG2 ILE 60 3HG2 ILE 60 -4.374 -7.323 -5.601 442 1HD1 ILE 60 1HD1 ILE 60 -1.580 -10.486 -4.683 443 2HD1 ILE 60 2HD1 ILE 60 -1.167 -8.938 -3.909 444 3HD1 ILE 60 3HD1 ILE 60 -2.882 -9.433 -4.111 445 H GLN 61 H GLN 61 -1.302 -4.396 -6.370 446 HA GLN 61 HA GLN 61 -3.695 -2.985 -6.934 447 1HB GLN 61 2HB GLN 61 -2.754 -1.126 -6.069 448 2HB GLN 61 3HB GLN 61 -1.837 -2.405 -5.294 449 1HG GLN 61 2HG GLN 61 -0.265 -0.740 -5.808 450 2HG GLN 61 3HG GLN 61 -0.011 -2.032 -6.982 451 1HE2 GLN 61 1HE2 GLN 61 -2.329 0.746 -6.898 452 2HE2 GLN 61 2HE2 GLN 61 -1.920 1.234 -8.531 453 H GLU 62 H GLU 62 -0.767 -3.549 -8.973 454 HA GLU 62 HA GLU 62 -1.487 -1.818 -11.090 455 1HB GLU 62 2HB GLU 62 0.686 -3.089 -10.867 456 2HB GLU 62 3HB GLU 62 -0.195 -4.561 -11.293 457 1HG GLU 62 2HG GLU 62 -0.880 -3.009 -13.425 458 2HG GLU 62 3HG GLU 62 0.655 -2.265 -13.004 459 H LYS 63 H LYS 63 -2.703 -5.092 -10.163 460 HA LYS 63 HA LYS 63 -3.989 -5.527 -12.669 461 1HB LYS 63 2HB LYS 63 -3.311 -7.109 -10.447 462 2HB LYS 63 3HB LYS 63 -5.040 -6.934 -10.312 463 1HG LYS 63 2HG LYS 63 -4.907 -8.803 -11.641 464 2HG LYS 63 3HG LYS 63 -5.021 -7.562 -12.891 465 1HD LYS 63 2HD LYS 63 -2.534 -8.990 -11.835 466 2HD LYS 63 3HD LYS 63 -3.261 -9.184 -13.442 467 1HE LYS 63 2HE LYS 63 -2.649 -6.827 -14.001 468 2HE LYS 63 3HE LYS 63 -1.949 -6.621 -12.383 469 1HZ LYS 63 1HZ LYS 63 -0.287 -6.968 -13.842 470 2HZ LYS 63 2HZ LYS 63 -0.342 -8.277 -12.882 471 3HZ LYS 63 3HZ LYS 63 -0.887 -8.385 -14.449 472 H ILE 64 H ILE 64 -5.047 -4.103 -9.562 473 HA ILE 64 HA ILE 64 -7.812 -3.843 -10.232 474 HB ILE 64 HB ILE 64 -6.027 -1.968 -8.614 475 1HG1 ILE 64 2HG1 ILE 64 -7.853 -4.223 -7.656 476 2HG1 ILE 64 3HG1 ILE 64 -6.097 -4.356 -7.783 477 1HG2 ILE 64 1HG2 ILE 64 -9.056 -2.248 -8.735 478 2HG2 ILE 64 2HG2 ILE 64 -8.172 -1.209 -7.598 479 3HG2 ILE 64 3HG2 ILE 64 -8.098 -0.865 -9.313 480 1HD1 ILE 64 1HD1 ILE 64 -6.590 -3.880 -5.507 481 2HD1 ILE 64 2HD1 ILE 64 -5.854 -2.421 -6.204 482 3HD1 ILE 64 3HD1 ILE 64 -7.604 -2.496 -5.935 483 H GLU 65 H GLU 65 -4.973 -1.709 -10.906 484 HA GLU 65 HA GLU 65 -6.554 0.217 -12.305 485 1HB GLU 65 2HB GLU 65 -3.559 -0.306 -12.508 486 2HB GLU 65 3HB GLU 65 -4.438 1.103 -13.134 487 1HG GLU 65 2HG GLU 65 -5.286 1.545 -10.790 488 2HG GLU 65 3HG GLU 65 -4.221 0.258 -10.205 489 H LYS 66 H LYS 66 -4.544 -2.449 -13.583 490 HA LYS 66 HA LYS 66 -5.147 -2.107 -16.332 491 1HB LYS 66 2HB LYS 66 -4.243 -4.429 -14.676 492 2HB LYS 66 3HB LYS 66 -4.697 -4.667 -16.371 493 1HG LYS 66 2HG LYS 66 -3.102 -3.052 -17.158 494 2HG LYS 66 3HG LYS 66 -2.700 -2.540 -15.501 495 1HD LYS 66 2HD LYS 66 -1.825 -4.662 -14.935 496 2HD LYS 66 3HD LYS 66 -2.358 -5.415 -16.444 497 1HE LYS 66 2HE LYS 66 -0.312 -3.131 -16.328 498 2HE LYS 66 3HE LYS 66 0.160 -4.829 -16.221 499 1HZ LYS 66 1HZ LYS 66 -0.751 -5.241 -18.349 500 2HZ LYS 66 2HZ LYS 66 -1.273 -3.684 -18.510 501 3HZ LYS 66 3HZ LYS 66 0.338 -4.016 -18.434 502 H LEU 67 H LEU 67 -7.080 -3.722 -13.756 503 HA LEU 67 HA LEU 67 -8.998 -4.865 -15.572 504 1HB LEU 67 2HB LEU 67 -8.769 -4.314 -12.620 505 2HB LEU 67 3HB LEU 67 -10.345 -4.631 -13.254 506 HG LEU 67 HG LEU 67 -8.819 -6.532 -12.284 507 1HD1 LEU 67 1HD1 LEU 67 -10.213 -8.146 -13.543 508 2HD1 LEU 67 2HD1 LEU 67 -11.153 -6.761 -12.967 509 3HD1 LEU 67 3HD1 LEU 67 -10.674 -6.854 -14.675 510 1HD2 LEU 67 1HD2 LEU 67 -7.744 -7.934 -13.881 511 2HD2 LEU 67 2HD2 LEU 67 -8.209 -6.908 -15.243 512 3HD2 LEU 67 3HD2 LEU 67 -7.014 -6.337 -14.063 513 H GLY 68 H GLY 68 -8.369 -1.587 -14.858 514 1HA GLY 68 2HA GLY 68 -9.346 0.111 -16.093 515 2HA GLY 68 3HA GLY 68 -10.796 -0.858 -16.389 516 H TYR 69 H TYR 69 -9.065 -0.100 -13.365 517 HA TYR 69 HA TYR 69 -11.349 1.545 -12.362 518 1HB TYR 69 2HB TYR 69 -9.900 -0.658 -10.846 519 2HB TYR 69 3HB TYR 69 -11.103 0.422 -10.164 520 HD1 TYR 69 HD1 TYR 69 -13.493 0.097 -10.600 521 HD2 TYR 69 HD2 TYR 69 -10.540 -2.388 -12.494 522 HE1 TYR 69 HE1 TYR 69 -15.288 -1.366 -11.472 523 HE2 TYR 69 HE2 TYR 69 -12.359 -3.846 -13.388 524 HH TYR 69 HH TYR 69 -14.543 -4.253 -13.465 525 H HIS 70 H HIS 70 -10.491 2.563 -10.148 526 HA HIS 70 HA HIS 70 -7.614 3.197 -10.227 527 1HB HIS 70 2HB HIS 70 -9.855 5.158 -10.704 528 2HB HIS 70 3HB HIS 70 -8.671 5.625 -9.496 529 HD1 HIS 70 1HD HIS 70 -8.365 7.660 -11.342 530 HD2 HIS 70 2HD HIS 70 -6.713 3.878 -12.184 531 HE1 HIS 70 1HE HIS 70 -6.554 8.013 -13.104 532 H VAL 71 H VAL 71 -6.904 4.016 -8.145 533 HA VAL 71 HA VAL 71 -8.597 3.019 -5.929 534 HB VAL 71 HB VAL 71 -6.432 2.616 -4.805 535 1HG1 VAL 71 1HG1 VAL 71 -5.975 0.505 -5.965 536 2HG1 VAL 71 2HG1 VAL 71 -7.717 0.804 -5.848 537 3HG1 VAL 71 3HG1 VAL 71 -6.870 1.072 -7.388 538 1HG2 VAL 71 1HG2 VAL 71 -4.977 4.099 -6.212 539 2HG2 VAL 71 2HG2 VAL 71 -4.366 2.447 -6.057 540 3HG2 VAL 71 3HG2 VAL 71 -5.158 2.949 -7.558 541 H VAL 72 H VAL 72 -8.648 4.201 -3.981 542 HA VAL 72 HA VAL 72 -8.274 7.124 -4.423 543 HB VAL 72 HB VAL 72 -9.802 5.581 -2.299 544 1HG1 VAL 72 1HG1 VAL 72 -10.797 7.791 -1.787 545 2HG1 VAL 72 2HG1 VAL 72 -9.057 7.767 -1.466 546 3HG1 VAL 72 3HG1 VAL 72 -9.676 8.555 -2.938 547 1HG2 VAL 72 1HG2 VAL 72 -11.818 6.427 -3.486 548 2HG2 VAL 72 2HG2 VAL 72 -10.774 7.090 -4.761 549 3HG2 VAL 72 3HG2 VAL 72 -10.861 5.334 -4.494 550 H THR 73 H THR 73 -5.965 6.845 -4.337 551 HA THR 73 HA THR 73 -4.917 6.703 -1.603 552 HB THR 73 HB THR 73 -3.401 5.037 -3.579 553 HG1 THR 73 1HG THR 73 -5.919 4.207 -2.555 554 1HG2 THR 73 1HG2 THR 73 -4.475 4.457 -0.791 555 2HG2 THR 73 2HG2 THR 73 -3.092 3.674 -1.570 556 3HG2 THR 73 3HG2 THR 73 -3.003 5.394 -1.108 557 H GLU 74 H GLU 74 -3.155 8.069 -1.366 558 HA GLU 74 HA GLU 74 -2.414 9.618 -3.820 559 1HB GLU 74 2HB GLU 74 -2.700 10.531 -0.928 560 2HB GLU 74 3HB GLU 74 -2.099 11.507 -2.277 561 1HG GLU 74 2HG GLU 74 -4.273 11.143 -3.478 562 2HG GLU 74 3HG GLU 74 -4.894 10.310 -2.040 563 H LYS 75 H LYS 75 -0.337 9.738 -4.303 564 HA LYS 75 HA LYS 75 1.644 8.282 -2.715 565 1HB LYS 75 2HB LYS 75 3.095 8.548 -4.570 566 2HB LYS 75 3HB LYS 75 1.498 8.073 -5.150 567 1HG LYS 75 2HG LYS 75 1.144 10.664 -5.481 568 2HG LYS 75 3HG LYS 75 2.920 10.675 -5.431 569 1HD LYS 75 2HD LYS 75 2.937 8.931 -7.260 570 2HD LYS 75 3HD LYS 75 1.175 8.986 -7.296 571 1HE LYS 75 2HE LYS 75 2.056 10.363 -9.110 572 2HE LYS 75 3HE LYS 75 1.206 11.375 -7.935 573 1HZ LYS 75 1HZ LYS 75 4.137 11.033 -8.071 574 2HZ LYS 75 2HZ LYS 75 3.300 12.341 -8.617 575 3HZ LYS 75 3HZ LYS 75 3.339 12.000 -7.011 576 H ALA 76 H ALA 76 1.763 9.406 -0.821 577 HA ALA 76 HA ALA 76 2.437 12.330 -0.894 578 1HB ALA 76 1HB ALA 76 2.428 12.160 1.558 579 2HB ALA 76 2HB ALA 76 0.908 11.565 0.857 580 3HB ALA 76 3HB ALA 76 2.125 10.412 1.447 581 H GLU 77 H GLU 77 4.538 13.090 0.019 582 HA GLU 77 HA GLU 77 6.667 11.010 0.019 583 1HB GLU 77 2HB GLU 77 6.826 13.749 -1.311 584 2HB GLU 77 3HB GLU 77 8.139 12.568 -1.125 585 1HG GLU 77 2HG GLU 77 6.765 10.916 -2.419 586 2HG GLU 77 3HG GLU 77 5.588 12.194 -2.750 587 H PHE 78 H PHE 78 7.954 11.067 1.717 588 HA PHE 78 HA PHE 78 7.897 13.429 3.540 589 1HB PHE 78 2HB PHE 78 7.717 10.476 4.232 590 2HB PHE 78 3HB PHE 78 7.867 11.769 5.413 591 HD1 PHE 78 1HD PHE 78 5.788 13.685 3.869 592 HD2 PHE 78 2HD PHE 78 5.667 9.628 5.338 593 HE1 PHE 78 1HE PHE 78 3.359 13.765 3.826 594 HE2 PHE 78 2HE PHE 78 3.192 9.770 5.372 595 HZ PHE 78 HZ PHE 78 2.040 11.760 4.406 596 H ASP 79 H ASP 79 9.745 13.867 4.590 597 HA ASP 79 HA ASP 79 12.245 12.865 3.351 598 1HB ASP 79 2HB ASP 79 12.084 15.264 3.343 599 2HB ASP 79 3HB ASP 79 11.382 15.310 4.963 600 H ILE 80 H ILE 80 14.012 12.024 4.704 601 HA ILE 80 HA ILE 80 13.002 11.021 7.357 602 HB ILE 80 HB ILE 80 15.072 9.754 5.555 603 1HG1 ILE 80 2HG1 ILE 80 12.089 9.141 5.623 604 2HG1 ILE 80 3HG1 ILE 80 12.920 9.952 4.288 605 1HG2 ILE 80 1HG2 ILE 80 14.654 7.798 6.978 606 2HG2 ILE 80 2HG2 ILE 80 14.933 9.169 8.035 607 3HG2 ILE 80 3HG2 ILE 80 13.276 8.612 7.748 608 1HD1 ILE 80 1HD1 ILE 80 13.597 7.175 5.188 609 2HD1 ILE 80 2HD1 ILE 80 12.559 7.664 3.841 610 3HD1 ILE 80 3HD1 ILE 80 14.266 8.140 3.825 611 H GLU 81 H GLU 81 14.108 11.656 9.151 612 HA GLU 81 HA GLU 81 17.014 12.392 8.776 613 1HB GLU 81 2HB GLU 81 15.348 13.252 11.124 614 2HB GLU 81 3HB GLU 81 17.009 13.662 10.717 615 1HG GLU 81 2HG GLU 81 15.985 14.708 8.543 616 2HG GLU 81 3HG GLU 81 14.464 14.690 9.440 617 H GLY 82 H GLY 82 17.894 10.347 8.940 618 1HA GLY 82 2HA GLY 82 18.514 9.238 11.330 619 2HA GLY 82 3HA GLY 82 16.964 8.451 10.997 620 H MET 83 H MET 83 17.137 8.119 8.178 621 HA MET 83 HA MET 83 19.095 6.002 7.939 622 1HB MET 83 2HB MET 83 18.053 5.539 5.860 623 2HB MET 83 3HB MET 83 16.755 6.022 6.956 624 1HG MET 83 2HG MET 83 16.158 7.100 5.093 625 2HG MET 83 3HG MET 83 17.059 8.408 5.867 626 1HE MET 83 1HE MET 83 17.337 7.985 1.765 627 2HE MET 83 2HE MET 83 16.175 6.987 2.657 628 3HE MET 83 3HE MET 83 16.293 8.725 3.020 629 H THR 84 H THR 84 20.045 6.171 5.450 630 HA THR 84 HA THR 84 21.712 6.947 4.195 631 HB THR 84 HB THR 84 20.690 9.377 4.962 632 HG1 THR 84 1HG THR 84 21.874 10.137 3.340 633 1HG2 THR 84 1HG2 THR 84 22.470 9.604 6.815 634 2HG2 THR 84 2HG2 THR 84 23.675 9.612 5.508 635 3HG2 THR 84 3HG2 THR 84 22.438 10.870 5.582 636 H CYS 85 H CYS 85 21.754 6.214 7.419 637 HA CYS 85 HA CYS 85 24.648 6.616 7.859 638 1HB CYS 85 2HB CYS 85 23.014 7.153 9.633 639 2HB CYS 85 3HB CYS 85 22.535 5.440 9.708 640 HG CYS 85 HG CYS 85 24.175 6.120 11.676 641 H ALA 86 H ALA 86 22.295 3.987 7.487 642 HA ALA 86 HA ALA 86 24.434 2.219 6.506 643 1HB ALA 86 1HB ALA 86 22.623 1.454 8.843 644 2HB ALA 86 2HB ALA 86 23.618 0.313 7.900 645 3HB ALA 86 3HB ALA 86 24.386 1.599 8.845 646 H ALA 87 H ALA 87 21.308 0.937 7.385 647 HA ALA 87 HA ALA 87 20.276 1.230 4.586 648 1HB ALA 87 1HB ALA 87 19.861 -1.175 4.524 649 2HB ALA 87 2HB ALA 87 21.582 -0.880 4.791 650 3HB ALA 87 3HB ALA 87 20.548 -1.370 6.152 651 H CYS 88 H CYS 88 19.546 2.646 7.053 652 HA CYS 88 HA CYS 88 17.328 1.385 8.327 653 1HB CYS 88 2HB CYS 88 17.774 4.341 7.933 654 2HB CYS 88 3HB CYS 88 16.853 3.585 9.217 655 HG CYS 88 HG CYS 88 19.088 4.647 10.132 656 H ALA 89 H ALA 89 17.669 3.483 5.450 657 HA ALA 89 HA ALA 89 14.912 3.834 4.879 658 1HB ALA 89 1HB ALA 89 16.815 5.017 3.759 659 2HB ALA 89 2HB ALA 89 17.132 3.528 2.832 660 3HB ALA 89 3HB ALA 89 15.591 4.381 2.646 661 H ASN 90 H ASN 90 17.110 1.050 4.277 662 HA ASN 90 HA ASN 90 15.239 -0.168 2.384 663 1HB ASN 90 2HB ASN 90 17.754 -1.193 3.735 664 2HB ASN 90 3HB ASN 90 16.684 -2.229 2.796 665 1HD2 ASN 90 1HD2 ASN 90 18.271 1.036 2.365 666 2HD2 ASN 90 2HD2 ASN 90 18.709 0.699 0.704 667 H ARG 91 H ARG 91 16.150 -0.512 5.824 668 HA ARG 91 HA ARG 91 14.213 -2.518 6.487 669 1HB ARG 91 2HB ARG 91 15.472 -0.275 8.120 670 2HB ARG 91 3HB ARG 91 14.290 -1.381 8.789 671 1HG ARG 91 2HG ARG 91 16.098 -3.111 7.504 672 2HG ARG 91 3HG ARG 91 17.137 -1.843 8.153 673 1HD ARG 91 2HD ARG 91 16.113 -2.216 10.429 674 2HD ARG 91 3HD ARG 91 14.994 -3.370 9.715 675 HE ARG 91 HE ARG 91 16.532 -5.013 9.683 676 1HH1 ARG 91 2HH2 ARG 91 18.228 -1.982 10.229 677 2HH1 ARG 91 1HH2 ARG 91 19.710 -2.708 10.773 678 1HH2 ARG 91 2HH1 ARG 91 18.481 -6.035 10.374 679 2HH2 ARG 91 1HH1 ARG 91 19.859 -5.086 10.818 680 H ILE 92 H ILE 92 13.818 1.079 6.691 681 HA ILE 92 HA ILE 92 11.076 0.821 7.409 682 HB ILE 92 HB ILE 92 10.858 3.203 7.029 683 1HG1 ILE 92 2HG1 ILE 92 13.451 4.124 6.591 684 2HG1 ILE 92 3HG1 ILE 92 13.113 2.883 5.369 685 1HG2 ILE 92 1HG2 ILE 92 13.374 2.441 8.554 686 2HG2 ILE 92 2HG2 ILE 92 12.446 3.943 8.731 687 3HG2 ILE 92 3HG2 ILE 92 11.709 2.396 9.164 688 1HD1 ILE 92 1HD1 ILE 92 11.026 4.043 4.735 689 2HD1 ILE 92 2HD1 ILE 92 11.394 5.316 5.928 690 3HD1 ILE 92 3HD1 ILE 92 12.458 5.068 4.528 691 H GLU 93 H GLU 93 12.622 0.772 4.182 692 HA GLU 93 HA GLU 93 10.337 1.250 2.623 693 1HB GLU 93 2HB GLU 93 12.706 0.937 1.747 694 2HB GLU 93 3HB GLU 93 12.567 -0.784 2.073 695 1HG GLU 93 2HG GLU 93 10.238 -0.001 0.602 696 2HG GLU 93 3HG GLU 93 11.630 0.725 -0.170 697 H LYS 94 H LYS 94 11.743 -1.833 3.843 698 HA LYS 94 HA LYS 94 9.601 -3.474 2.985 699 1HB LYS 94 2HB LYS 94 11.499 -3.843 5.353 700 2HB LYS 94 3HB LYS 94 10.431 -5.096 4.719 701 1HG LYS 94 2HG LYS 94 12.760 -3.804 3.235 702 2HG LYS 94 3HG LYS 94 12.668 -5.435 3.914 703 1HD LYS 94 2HD LYS 94 10.538 -5.661 2.336 704 2HD LYS 94 3HD LYS 94 11.271 -4.273 1.497 705 1HE LYS 94 2HE LYS 94 13.441 -5.663 1.401 706 2HE LYS 94 3HE LYS 94 12.484 -7.040 1.982 707 1HZ LYS 94 1HZ LYS 94 11.087 -6.763 0.020 708 2HZ LYS 94 2HZ LYS 94 12.028 -5.514 -0.500 709 3HZ LYS 94 3HZ LYS 94 12.655 -7.036 -0.394 710 H ARG 95 H ARG 95 9.854 -1.432 5.833 711 HA ARG 95 HA ARG 95 7.450 -2.609 7.086 712 1HB ARG 95 2HB ARG 95 8.964 -0.027 7.588 713 2HB ARG 95 3HB ARG 95 7.560 -0.536 8.511 714 1HG ARG 95 2HG ARG 95 10.106 -2.215 8.255 715 2HG ARG 95 3HG ARG 95 9.784 -1.032 9.524 716 1HD ARG 95 2HD ARG 95 7.620 -2.314 10.013 717 2HD ARG 95 3HD ARG 95 8.270 -3.615 8.980 718 HE ARG 95 HE ARG 95 10.282 -2.976 10.815 719 1HH1 ARG 95 2HH2 ARG 95 7.022 -4.294 10.901 720 2HH1 ARG 95 1HH2 ARG 95 7.172 -5.038 12.462 721 1HH2 ARG 95 2HH1 ARG 95 10.520 -3.891 12.931 722 2HH2 ARG 95 1HH1 ARG 95 9.239 -4.825 13.628 723 H LEU 96 H LEU 96 8.031 0.670 5.779 724 HA LEU 96 HA LEU 96 5.345 1.482 5.735 725 1HB LEU 96 2HB LEU 96 7.673 2.474 4.090 726 2HB LEU 96 3HB LEU 96 6.086 3.237 4.231 727 HG LEU 96 HG LEU 96 8.190 2.957 6.431 728 1HD1 LEU 96 1HD1 LEU 96 7.927 5.384 6.468 729 2HD1 LEU 96 2HD1 LEU 96 8.263 4.847 4.812 730 3HD1 LEU 96 3HD1 LEU 96 6.603 5.279 5.281 731 1HD2 LEU 96 1HD2 LEU 96 5.247 3.586 6.757 732 2HD2 LEU 96 2HD2 LEU 96 6.228 2.389 7.636 733 3HD2 LEU 96 3HD2 LEU 96 6.494 4.113 7.906 734 H ASN 97 H ASN 97 7.164 -0.296 3.314 735 HA ASN 97 HA ASN 97 5.770 -0.588 1.051 736 1HB ASN 97 2HB ASN 97 7.138 -2.377 2.926 737 2HB ASN 97 3HB ASN 97 5.793 -3.196 2.255 738 1HD2 ASN 97 1HD2 ASN 97 8.501 -1.182 1.266 739 2HD2 ASN 97 2HD2 ASN 97 9.114 -2.207 0.004 740 H LYS 98 H LYS 98 4.617 -1.838 4.220 741 HA LYS 98 HA LYS 98 1.828 -1.875 3.441 742 1HB LYS 98 2HB LYS 98 1.502 -4.249 3.395 743 2HB LYS 98 3HB LYS 98 2.545 -3.738 2.080 744 1HG LYS 98 2HG LYS 98 4.472 -4.399 3.923 745 2HG LYS 98 3HG LYS 98 3.167 -5.410 4.494 746 1HD LYS 98 2HD LYS 98 4.139 -6.912 3.099 747 2HD LYS 98 3HD LYS 98 3.068 -6.155 1.897 748 1HE LYS 98 2HE LYS 98 4.842 -4.733 1.094 749 2HE LYS 98 3HE LYS 98 5.954 -5.331 2.373 750 1HZ LYS 98 1HZ LYS 98 6.381 -6.275 0.274 751 2HZ LYS 98 2HZ LYS 98 5.946 -7.443 1.352 752 3HZ LYS 98 3HZ LYS 98 4.887 -6.955 0.183 753 H ILE 99 H ILE 99 2.710 -0.518 5.499 754 HA ILE 99 HA ILE 99 2.890 -1.914 8.004 755 HB ILE 99 HB ILE 99 2.178 0.896 7.183 756 1HG1 ILE 99 2HG1 ILE 99 4.543 0.182 7.314 757 2HG1 ILE 99 3HG1 ILE 99 4.130 1.523 8.386 758 1HG2 ILE 99 1HG2 ILE 99 0.666 0.774 8.981 759 2HG2 ILE 99 2HG2 ILE 99 1.765 -0.200 9.979 760 3HG2 ILE 99 3HG2 ILE 99 2.111 1.511 9.649 761 1HD1 ILE 99 1HD1 ILE 99 5.612 0.070 9.568 762 2HD1 ILE 99 2HD1 ILE 99 4.026 -0.140 10.305 763 3HD1 ILE 99 3HD1 ILE 99 4.662 -1.371 9.188 764 H GLU 100 H GLU 100 0.075 -0.210 6.737 765 HA GLU 100 HA GLU 100 -1.702 -2.353 7.866 766 1HB GLU 100 2HB GLU 100 -1.881 0.671 7.851 767 2HB GLU 100 3HB GLU 100 -3.364 -0.326 7.900 768 1HG GLU 100 2HG GLU 100 -2.538 -1.437 9.942 769 2HG GLU 100 3HG GLU 100 -1.151 -0.330 9.972 770 H GLY 101 H GLY 101 -2.911 0.309 5.911 771 1HA GLY 101 2HA GLY 101 -3.784 -1.641 3.935 772 2HA GLY 101 3HA GLY 101 -4.206 0.055 4.174 773 H VAL 102 H VAL 102 -1.036 0.380 4.261 774 HA VAL 102 HA VAL 102 -0.777 1.853 2.020 775 HB VAL 102 HB VAL 102 1.549 0.298 3.194 776 1HG1 VAL 102 1HG1 VAL 102 2.110 1.412 1.167 777 2HG1 VAL 102 2HG1 VAL 102 1.246 2.884 1.642 778 3HG1 VAL 102 3HG1 VAL 102 2.725 2.436 2.476 779 1HG2 VAL 102 1HG2 VAL 102 1.639 2.605 4.529 780 2HG2 VAL 102 2HG2 VAL 102 -0.117 2.556 4.269 781 3HG2 VAL 102 3HG2 VAL 102 0.682 1.235 5.117 782 H ALA 103 H ALA 103 -0.614 1.738 -0.053 783 HA ALA 103 HA ALA 103 -0.898 -0.823 -1.347 784 1HB ALA 103 1HB ALA 103 -2.167 1.132 -2.117 785 2HB ALA 103 2HB ALA 103 -0.656 1.979 -2.515 786 3HB ALA 103 3HB ALA 103 -1.108 0.510 -3.399 787 H ASN 104 H ASN 104 1.503 1.809 -1.128 788 HA ASN 104 HA ASN 104 3.730 0.005 -1.734 789 1HB ASN 104 2HB ASN 104 3.275 2.422 -3.538 790 2HB ASN 104 3HB ASN 104 4.683 1.373 -3.539 791 1HD2 ASN 104 1HD2 ASN 104 1.873 2.015 -5.171 792 2HD2 ASN 104 2HD2 ASN 104 1.752 0.456 -5.994 793 H ALA 105 H ALA 105 5.815 1.245 -1.558 794 HA ALA 105 HA ALA 105 5.758 3.938 -0.631 795 1HB ALA 105 1HB ALA 105 6.630 3.650 1.652 796 2HB ALA 105 2HB ALA 105 5.038 2.888 1.505 797 3HB ALA 105 3HB ALA 105 6.506 1.890 1.482 798 HA PRO 106 HA PRO 106 9.786 2.359 -2.316 799 1HB PRO 106 2HB PRO 106 10.126 4.171 -4.376 800 2HB PRO 106 3HB PRO 106 9.251 2.619 -4.510 801 1HG PRO 106 2HG PRO 106 8.125 5.373 -4.165 802 2HG PRO 106 3HG PRO 106 7.506 4.056 -5.182 803 1HD PRO 106 2HD PRO 106 6.429 4.639 -2.709 804 2HD PRO 106 3HD PRO 106 6.460 2.993 -3.384 805 H VAL 107 H VAL 107 11.771 3.097 -1.676 806 HA VAL 107 HA VAL 107 11.936 5.746 -0.341 807 HB VAL 107 HB VAL 107 13.747 4.850 0.947 808 1HG1 VAL 107 1HG1 VAL 107 12.518 3.240 2.320 809 2HG1 VAL 107 2HG1 VAL 107 11.471 4.546 1.789 810 3HG1 VAL 107 3HG1 VAL 107 11.354 2.962 1.008 811 1HG2 VAL 107 1HG2 VAL 107 13.368 2.220 -0.550 812 2HG2 VAL 107 2HG2 VAL 107 14.796 3.272 -0.596 813 3HG2 VAL 107 3HG2 VAL 107 14.361 2.451 0.900 814 H ASN 108 H ASN 108 13.687 7.151 -0.798 815 HA ASN 108 HA ASN 108 15.394 6.407 -3.157 816 1HB ASN 108 2HB ASN 108 14.383 9.096 -2.150 817 2HB ASN 108 3HB ASN 108 15.682 8.894 -3.333 818 1HD2 ASN 108 1HD2 ASN 108 14.306 10.211 -4.803 819 2HD2 ASN 108 2HD2 ASN 108 13.033 9.379 -5.676 820 H PHE 109 H PHE 109 17.577 6.889 -2.969 821 HA PHE 109 HA PHE 109 18.575 7.489 -0.211 822 1HB PHE 109 2HB PHE 109 18.897 5.178 -1.712 823 2HB PHE 109 3HB PHE 109 20.343 6.085 -2.124 824 HD1 PHE 109 1HD PHE 109 18.211 5.195 0.849 825 HD2 PHE 109 2HD PHE 109 22.207 5.902 -0.602 826 HE1 PHE 109 1HE PHE 109 19.124 4.596 3.047 827 HE2 PHE 109 2HE PHE 109 23.126 5.132 1.562 828 HZ PHE 109 HZ PHE 109 21.604 4.382 3.375 829 H ALA 110 H ALA 110 18.099 9.057 -2.932 830 HA ALA 110 HA ALA 110 20.729 10.482 -3.018 831 1HB ALA 110 1HB ALA 110 19.892 9.598 -5.156 832 2HB ALA 110 2HB ALA 110 18.374 10.501 -4.953 833 3HB ALA 110 3HB ALA 110 19.908 11.374 -5.151 834 H LEU 111 H LEU 111 17.201 10.973 -2.753 835 HA LEU 111 HA LEU 111 17.504 13.823 -2.091 836 1HB LEU 111 2HB LEU 111 14.995 12.165 -1.930 837 2HB LEU 111 3HB LEU 111 15.138 13.903 -2.169 838 HG LEU 111 HG LEU 111 15.796 11.684 -4.170 839 1HD1 LEU 111 1HD1 LEU 111 13.923 12.607 -5.444 840 2HD1 LEU 111 2HD1 LEU 111 13.391 12.134 -3.818 841 3HD1 LEU 111 3HD1 LEU 111 13.656 13.846 -4.201 842 1HD2 LEU 111 1HD2 LEU 111 16.209 13.509 -5.809 843 2HD2 LEU 111 2HD2 LEU 111 16.027 14.716 -4.519 844 3HD2 LEU 111 3HD2 LEU 111 17.388 13.575 -4.494 845 H GLU 112 H GLU 112 17.322 10.792 -0.431 846 HA GLU 112 HA GLU 112 17.184 10.127 1.616 847 1HB GLU 112 2HB GLU 112 17.829 12.979 2.358 848 2HB GLU 112 3HB GLU 112 17.698 11.673 3.538 849 1HG GLU 112 2HG GLU 112 19.443 10.390 2.511 850 2HG GLU 112 3HG GLU 112 19.472 11.401 1.059 851 H THR 113 H THR 113 14.937 10.076 0.400 852 HA THR 113 HA THR 113 12.833 11.001 2.274 853 HB THR 113 HB THR 113 11.454 11.791 0.413 854 HG1 THR 113 1HG THR 113 13.686 10.979 -1.098 855 1HG2 THR 113 1HG2 THR 113 12.748 13.752 -0.367 856 2HG2 THR 113 2HG2 THR 113 12.882 13.544 1.388 857 3HG2 THR 113 3HG2 THR 113 14.215 13.089 0.335 858 H VAL 114 H VAL 114 10.799 9.940 1.909 859 HA VAL 114 HA VAL 114 10.848 7.442 0.333 860 HB VAL 114 HB VAL 114 11.191 6.668 2.548 861 1HG1 VAL 114 1HG1 VAL 114 8.748 8.242 3.492 862 2HG1 VAL 114 2HG1 VAL 114 9.773 7.174 4.464 863 3HG1 VAL 114 3HG1 VAL 114 10.422 8.697 3.843 864 1HG2 VAL 114 1HG2 VAL 114 9.424 5.518 1.118 865 2HG2 VAL 114 2HG2 VAL 114 9.385 5.189 2.855 866 3HG2 VAL 114 3HG2 VAL 114 8.215 6.315 2.151 867 H THR 115 H THR 115 9.131 7.174 -0.962 868 HA THR 115 HA THR 115 6.865 9.044 -0.825 869 HB THR 115 HB THR 115 7.503 6.696 -2.607 870 HG1 THR 115 1HG THR 115 7.844 9.425 -3.266 871 1HG2 THR 115 1HG2 THR 115 5.113 7.243 -2.706 872 2HG2 THR 115 2HG2 THR 115 5.499 8.962 -2.933 873 3HG2 THR 115 3HG2 THR 115 5.911 7.778 -4.193 874 H VAL 116 H VAL 116 4.804 8.272 -0.158 875 HA VAL 116 HA VAL 116 4.507 5.415 0.566 876 HB VAL 116 HB VAL 116 5.105 6.709 2.599 877 1HG1 VAL 116 1HG1 VAL 116 3.554 8.239 3.615 878 2HG1 VAL 116 2HG1 VAL 116 4.049 8.878 2.044 879 3HG1 VAL 116 3HG1 VAL 116 2.445 8.141 2.249 880 1HG2 VAL 116 1HG2 VAL 116 2.365 5.410 2.447 881 2HG2 VAL 116 2HG2 VAL 116 3.917 4.675 2.877 882 3HG2 VAL 116 3HG2 VAL 116 3.173 5.854 3.964 883 H GLU 117 H GLU 117 2.763 4.608 -0.435 884 HA GLU 117 HA GLU 117 0.615 6.461 -1.385 885 1HB GLU 117 2HB GLU 117 1.793 3.867 -2.477 886 2HB GLU 117 3HB GLU 117 0.146 4.351 -2.887 887 1HG GLU 117 2HG GLU 117 0.870 6.415 -3.829 888 2HG GLU 117 3HG GLU 117 2.576 6.085 -3.425 889 H TYR 118 H TYR 118 -0.805 6.331 0.414 890 HA TYR 118 HA TYR 118 -1.874 3.652 1.072 891 1HB TYR 118 2HB TYR 118 -1.656 3.945 3.408 892 2HB TYR 118 3HB TYR 118 -0.044 4.295 2.773 893 HD1 TYR 118 HD1 TYR 118 -2.896 5.567 4.621 894 HD2 TYR 118 HD2 TYR 118 0.579 6.799 2.415 895 HE1 TYR 118 HE1 TYR 118 -2.995 7.790 5.688 896 HE2 TYR 118 HE2 TYR 118 0.521 9.004 3.540 897 HH TYR 118 HH TYR 118 -0.634 10.360 5.004 898 H ASN 119 H ASN 119 -3.976 3.939 2.328 899 HA ASN 119 HA ASN 119 -5.406 6.067 0.868 900 1HB ASN 119 2HB ASN 119 -6.403 3.899 0.838 901 2HB ASN 119 3HB ASN 119 -6.403 3.863 2.623 902 1HD2 ASN 119 1HD2 ASN 119 -8.826 3.324 1.769 903 2HD2 ASN 119 2HD2 ASN 119 -9.806 4.792 1.611 904 HA PRO 120 HA PRO 120 -4.947 8.523 4.655 905 1HB PRO 120 2HB PRO 120 -6.162 10.832 3.868 906 2HB PRO 120 3HB PRO 120 -4.566 10.318 3.254 907 1HG PRO 120 2HG PRO 120 -7.262 9.893 1.933 908 2HG PRO 120 3HG PRO 120 -5.790 10.603 1.205 909 1HD PRO 120 2HD PRO 120 -6.420 7.998 0.848 910 2HD PRO 120 3HD PRO 120 -4.726 8.488 1.100 911 H LYS 121 H LYS 121 -7.715 6.914 3.579 912 HA LYS 121 HA LYS 121 -9.431 8.092 5.747 913 1HB LYS 121 2HB LYS 121 -11.126 7.619 4.463 914 2HB LYS 121 3HB LYS 121 -10.011 7.218 3.185 915 1HG LYS 121 2HG LYS 121 -11.414 5.478 3.267 916 2HG LYS 121 3HG LYS 121 -10.034 4.779 4.072 917 1HD LYS 121 2HD LYS 121 -11.144 4.878 6.210 918 2HD LYS 121 3HD LYS 121 -12.322 6.062 5.622 919 1HE LYS 121 2HE LYS 121 -13.363 4.342 4.183 920 2HE LYS 121 3HE LYS 121 -12.098 3.174 4.609 921 1HZ LYS 121 1HZ LYS 121 -12.874 3.213 6.859 922 2HZ LYS 121 2HZ LYS 121 -14.038 4.328 6.500 923 3HZ LYS 121 3HZ LYS 121 -14.109 2.818 5.846 924 H GLU 122 H GLU 122 -7.586 5.255 4.771 925 HA GLU 122 HA GLU 122 -8.635 3.574 6.914 926 1HB GLU 122 2HB GLU 122 -7.321 3.192 4.421 927 2HB GLU 122 3HB GLU 122 -6.198 2.583 5.655 928 1HG GLU 122 2HG GLU 122 -9.067 1.693 5.099 929 2HG GLU 122 3HG GLU 122 -7.573 0.829 4.778 930 H ALA 123 H ALA 123 -5.667 5.438 6.155 931 HA ALA 123 HA ALA 123 -4.866 5.232 9.037 932 1HB ALA 123 1HB ALA 123 -2.565 4.736 8.478 933 2HB ALA 123 2HB ALA 123 -3.606 3.494 7.778 934 3HB ALA 123 3HB ALA 123 -2.929 4.762 6.741 935 H SER 124 H SER 124 -2.617 6.808 9.051 936 HA SER 124 HA SER 124 -3.049 9.218 7.478 937 1HB SER 124 2HB SER 124 -3.469 10.675 9.422 938 2HB SER 124 3HB SER 124 -4.787 9.520 9.191 939 HG SER 124 HG SER 124 -3.779 8.211 10.812 940 H VAL 125 H VAL 125 -1.319 10.878 8.014 941 HA VAL 125 HA VAL 125 1.189 9.821 8.148 942 HB VAL 125 HB VAL 125 1.873 12.056 8.572 943 1HG1 VAL 125 1HG1 VAL 125 -0.471 12.195 6.645 944 2HG1 VAL 125 2HG1 VAL 125 1.079 13.052 6.549 945 3HG1 VAL 125 3HG1 VAL 125 1.021 11.289 6.324 946 1HG2 VAL 125 1HG2 VAL 125 0.308 12.922 10.218 947 2HG2 VAL 125 2HG2 VAL 125 0.273 13.954 8.785 948 3HG2 VAL 125 3HG2 VAL 125 -1.036 12.790 9.061 949 H SER 126 H SER 126 -0.827 10.861 10.931 950 HA SER 126 HA SER 126 1.104 10.804 12.939 951 1HB SER 126 2HB SER 126 -1.762 9.752 13.092 952 2HB SER 126 3HB SER 126 -0.806 10.470 14.407 953 HG SER 126 HG SER 126 -2.285 11.963 13.371 954 H ASP 127 H ASP 127 -0.547 8.103 11.282 955 HA ASP 127 HA ASP 127 0.279 6.073 13.210 956 1HB ASP 127 2HB ASP 127 -1.633 5.580 11.793 957 2HB ASP 127 3HB ASP 127 -0.663 5.823 10.321 958 H LEU 128 H LEU 128 1.378 7.281 10.083 959 HA LEU 128 HA LEU 128 3.575 5.507 9.709 960 1HB LEU 128 2HB LEU 128 3.110 8.291 8.624 961 2HB LEU 128 3HB LEU 128 4.364 7.191 8.056 962 HG LEU 128 HG LEU 128 1.387 6.508 8.060 963 1HD1 LEU 128 1HD1 LEU 128 3.176 7.515 5.844 964 2HD1 LEU 128 2HD1 LEU 128 1.516 6.911 5.619 965 3HD1 LEU 128 3HD1 LEU 128 1.793 8.380 6.567 966 1HD2 LEU 128 1HD2 LEU 128 3.759 5.234 6.624 967 2HD2 LEU 128 2HD2 LEU 128 2.855 4.475 7.959 968 3HD2 LEU 128 3HD2 LEU 128 2.065 4.761 6.413 969 H LYS 129 H LYS 129 3.344 8.701 11.259 970 HA LYS 129 HA LYS 129 6.105 8.912 11.986 971 1HB LYS 129 2HB LYS 129 3.608 10.124 13.227 972 2HB LYS 129 3HB LYS 129 5.253 10.465 13.753 973 1HG LYS 129 2HG LYS 129 5.693 10.985 11.181 974 2HG LYS 129 3HG LYS 129 3.934 11.153 11.125 975 1HD LYS 129 2HD LYS 129 4.155 12.751 13.106 976 2HD LYS 129 3HD LYS 129 5.923 12.663 12.866 977 1HE LYS 129 2HE LYS 129 5.714 13.571 10.599 978 2HE LYS 129 3HE LYS 129 3.943 13.538 10.700 979 1HZ LYS 129 1HZ LYS 129 4.050 15.166 12.440 980 2HZ LYS 129 2HZ LYS 129 5.697 15.196 12.385 981 3HZ LYS 129 3HZ LYS 129 4.816 15.721 11.099 982 H GLU 130 H GLU 130 3.274 7.467 13.786 983 HA GLU 130 HA GLU 130 4.877 6.723 16.035 984 1HB GLU 130 2HB GLU 130 2.174 6.404 15.243 985 2HB GLU 130 3HB GLU 130 2.770 4.758 15.443 986 1HG GLU 130 2HG GLU 130 3.067 6.980 17.517 987 2HG GLU 130 3HG GLU 130 1.769 5.788 17.486 988 H ALA 131 H ALA 131 4.143 5.011 13.006 989 HA ALA 131 HA ALA 131 5.339 2.544 13.627 990 1HB ALA 131 1HB ALA 131 5.256 2.145 11.202 991 2HB ALA 131 2HB ALA 131 3.754 2.906 11.766 992 3HB ALA 131 3HB ALA 131 4.969 3.870 10.904 993 H VAL 132 H VAL 132 6.738 5.384 11.783 994 HA VAL 132 HA VAL 132 9.225 4.073 11.479 995 HB VAL 132 HB VAL 132 8.179 5.961 10.131 996 1HG1 VAL 132 1HG1 VAL 132 7.837 7.423 12.130 997 2HG1 VAL 132 2HG1 VAL 132 9.579 7.744 12.176 998 3HG1 VAL 132 3HG1 VAL 132 8.577 8.248 10.808 999 1HG2 VAL 132 1HG2 VAL 132 11.111 6.118 10.958 1000 2HG2 VAL 132 2HG2 VAL 132 10.423 5.005 9.756 1001 3HG2 VAL 132 3HG2 VAL 132 10.436 6.737 9.437 1002 H ASP 133 H ASP 133 7.872 6.222 14.038 1003 HA ASP 133 HA ASP 133 10.269 6.642 15.389 1004 1HB ASP 133 2HB ASP 133 7.914 7.627 15.885 1005 2HB ASP 133 3HB ASP 133 7.666 6.190 16.890 1006 H LYS 134 H LYS 134 7.884 4.035 15.634 1007 HA LYS 134 HA LYS 134 9.186 2.354 17.446 1008 1HB LYS 134 2HB LYS 134 6.831 2.326 16.127 1009 2HB LYS 134 3HB LYS 134 7.650 1.089 15.177 1010 1HG LYS 134 2HG LYS 134 7.880 -0.324 17.093 1011 2HG LYS 134 3HG LYS 134 7.579 1.031 18.207 1012 1HD LYS 134 2HD LYS 134 5.240 1.251 17.303 1013 2HD LYS 134 3HD LYS 134 5.534 -0.139 16.259 1014 1HE LYS 134 2HE LYS 134 4.276 -0.841 18.209 1015 2HE LYS 134 3HE LYS 134 5.888 -1.571 18.285 1016 1HZ LYS 134 1HZ LYS 134 5.040 0.871 19.722 1017 2HZ LYS 134 2HZ LYS 134 5.156 -0.629 20.395 1018 3HZ LYS 134 3HZ LYS 134 6.506 0.138 19.859 1019 H LEU 135 H LEU 135 10.036 2.922 14.089 1020 HA LEU 135 HA LEU 135 11.937 0.649 14.003 1021 1HB LEU 135 2HB LEU 135 10.899 2.702 12.064 1022 2HB LEU 135 3HB LEU 135 12.499 2.063 11.784 1023 HG LEU 135 HG LEU 135 10.594 0.928 10.589 1024 1HD1 LEU 135 1HD1 LEU 135 11.632 -1.323 10.866 1025 2HD1 LEU 135 2HD1 LEU 135 12.820 -0.024 10.703 1026 3HD1 LEU 135 3HD1 LEU 135 12.493 -0.730 12.298 1027 1HD2 LEU 135 1HD2 LEU 135 9.023 0.802 12.510 1028 2HD2 LEU 135 2HD2 LEU 135 9.276 -0.751 11.729 1029 3HD2 LEU 135 3HD2 LEU 135 10.063 -0.416 13.274 1030 H GLY 136 H GLY 136 11.909 3.903 15.129 1031 1HA GLY 136 2HA GLY 136 13.542 4.794 16.461 1032 2HA GLY 136 3HA GLY 136 14.733 3.635 15.865 1033 H TYR 137 H TYR 137 12.672 5.782 13.847 1034 HA TYR 137 HA TYR 137 14.890 7.669 13.398 1035 1HB TYR 137 2HB TYR 137 13.397 6.531 11.024 1036 2HB TYR 137 3HB TYR 137 14.848 7.514 11.022 1037 HD1 TYR 137 HD1 TYR 137 16.989 6.372 12.173 1038 HD2 TYR 137 HD2 TYR 137 13.499 4.202 10.885 1039 HE1 TYR 137 HE1 TYR 137 18.187 4.236 12.509 1040 HE2 TYR 137 HE2 TYR 137 14.735 2.073 11.134 1041 HH TYR 137 HH TYR 137 16.480 1.147 12.360 1042 H LYS 138 H LYS 138 13.800 9.577 11.898 1043 HA LYS 138 HA LYS 138 10.947 9.830 12.780 1044 1HB LYS 138 2HB LYS 138 11.219 12.019 13.446 1045 2HB LYS 138 3HB LYS 138 12.569 11.140 14.188 1046 1HG LYS 138 2HG LYS 138 13.927 11.856 12.128 1047 2HG LYS 138 3HG LYS 138 12.582 12.930 11.727 1048 1HD LYS 138 2HD LYS 138 13.101 13.492 14.421 1049 2HD LYS 138 3HD LYS 138 14.710 13.141 13.748 1050 1HE LYS 138 2HE LYS 138 13.863 14.727 11.776 1051 2HE LYS 138 3HE LYS 138 12.700 15.314 12.949 1052 1HZ LYS 138 1HZ LYS 138 14.444 16.256 14.172 1053 2HZ LYS 138 2HZ LYS 138 15.595 15.258 13.512 1054 3HZ LYS 138 3HZ LYS 138 14.930 16.410 12.581 1055 H LEU 139 H LEU 139 9.588 10.773 11.311 1056 HA LEU 139 HA LEU 139 10.646 11.228 8.574 1057 1HB LEU 139 2HB LEU 139 7.887 10.548 9.591 1058 2HB LEU 139 3HB LEU 139 8.182 11.125 7.946 1059 HG LEU 139 HG LEU 139 9.607 8.706 9.084 1060 1HD1 LEU 139 1HD1 LEU 139 7.139 8.833 7.301 1061 2HD1 LEU 139 2HD1 LEU 139 7.949 7.350 7.865 1062 3HD1 LEU 139 3HD1 LEU 139 7.098 8.394 9.021 1063 1HD2 LEU 139 1HD2 LEU 139 9.288 9.687 6.246 1064 2HD2 LEU 139 2HD2 LEU 139 10.771 9.598 7.227 1065 3HD2 LEU 139 3HD2 LEU 139 9.951 8.108 6.748 1066 H LYS 140 H LYS 140 10.168 13.033 7.482 1067 HA LYS 140 HA LYS 140 8.747 15.276 8.865 1068 1HB LYS 140 2HB LYS 140 11.339 15.277 7.273 1069 2HB LYS 140 3HB LYS 140 10.283 16.687 7.310 1070 1HG LYS 140 2HG LYS 140 10.423 16.282 9.967 1071 2HG LYS 140 3HG LYS 140 11.935 15.464 9.511 1072 1HD LYS 140 2HD LYS 140 12.729 17.446 8.359 1073 2HD LYS 140 3HD LYS 140 11.156 18.258 8.543 1074 1HE LYS 140 2HE LYS 140 11.413 18.238 11.025 1075 2HE LYS 140 3HE LYS 140 13.011 17.519 10.830 1076 1HZ LYS 140 1HZ LYS 140 13.182 19.872 11.095 1077 2HZ LYS 140 2HZ LYS 140 13.658 19.472 9.574 1078 3HZ LYS 140 3HZ LYS 140 12.177 20.155 9.823 1079 H LEU 141 H LEU 141 7.761 16.781 7.297 1080 HA LEU 141 HA LEU 141 6.493 15.183 5.185 1081 1HB LEU 141 2HB LEU 141 5.737 17.960 6.114 1082 2HB LEU 141 3HB LEU 141 4.803 16.809 5.171 1083 HG LEU 141 HG LEU 141 3.810 16.733 7.232 1084 1HD1 LEU 141 1HD1 LEU 141 4.351 14.434 6.458 1085 2HD1 LEU 141 2HD1 LEU 141 5.774 14.417 7.515 1086 3HD1 LEU 141 3HD1 LEU 141 4.153 14.555 8.209 1087 1HD2 LEU 141 1HD2 LEU 141 4.741 16.805 9.373 1088 2HD2 LEU 141 2HD2 LEU 141 6.388 16.491 8.811 1089 3HD2 LEU 141 3HD2 LEU 141 5.591 18.039 8.441 1090 H LYS 142 H LYS 142 6.719 15.715 2.932 1091 HA LYS 142 HA LYS 142 8.880 17.594 2.267 1092 1HB LYS 142 2HB LYS 142 6.954 15.978 0.562 1093 2HB LYS 142 3HB LYS 142 8.179 17.045 -0.081 1094 1HG LYS 142 2HG LYS 142 8.936 14.863 1.860 1095 2HG LYS 142 3HG LYS 142 8.731 14.502 0.149 1096 1HD LYS 142 2HD LYS 142 10.617 16.724 1.054 1097 2HD LYS 142 3HD LYS 142 11.066 15.028 1.077 1098 1HE LYS 142 2HE LYS 142 11.888 15.790 -0.971 1099 2HE LYS 142 3HE LYS 142 10.448 14.845 -1.382 1100 1HZ LYS 142 1HZ LYS 142 9.281 17.017 -1.693 1101 2HZ LYS 142 2HZ LYS 142 10.631 17.804 -1.281 1102 3HZ LYS 142 3HZ LYS 142 10.580 16.876 -2.628 1103 H GLY 143 H GLY 143 7.809 19.360 3.394 1104 1HA GLY 143 2HA GLY 143 7.120 21.531 2.988 1105 2HA GLY 143 3HA GLY 143 6.590 21.075 1.363 1106 H GLU 144 H GLU 144 4.713 19.140 1.826 1107 HA GLU 144 HA GLU 144 2.443 19.168 1.838 1108 1HB GLU 144 2HB GLU 144 3.416 18.983 4.649 1109 2HB GLU 144 3HB GLU 144 1.703 19.356 4.491 1110 1HG GLU 144 2HG GLU 144 1.374 17.443 2.968 1111 2HG GLU 144 3HG GLU 144 3.072 16.979 3.190 1112 H GLN 145 H GLN 145 3.155 21.471 0.883 1113 HA GLN 145 HA GLN 145 2.297 23.449 0.252 1114 1HB GLN 145 2HB GLN 145 0.143 22.085 0.857 1115 2HB GLN 145 3HB GLN 145 0.046 23.207 2.229 1116 1HG GLN 145 2HG GLN 145 0.040 25.115 0.619 1117 2HG GLN 145 3HG GLN 145 0.132 23.967 -0.730 1118 1HE2 GLN 145 1HE2 GLN 145 -2.013 25.999 0.165 1119 2HE2 GLN 145 2HE2 GLN 145 -3.473 25.024 0.187 1120 H ASP 146 H ASP 146 3.238 22.955 3.476 1121 HA ASP 146 HA ASP 146 2.708 25.626 4.519 1122 1HB ASP 146 2HB ASP 146 2.483 23.570 5.918 1123 2HB ASP 146 3HB ASP 146 4.196 23.214 5.663 1124 H SER 147 H SER 147 5.193 23.599 3.532 1125 HA SER 147 HA SER 147 7.025 25.895 2.828 1126 1HB SER 147 2HB SER 147 7.812 23.288 4.169 1127 2HB SER 147 3HB SER 147 8.957 24.219 3.190 1128 HG SER 147 HG SER 147 8.537 26.003 4.526 1129 H ILE 148 H ILE 148 5.195 25.247 1.180 1130 HA ILE 148 HA ILE 148 4.855 24.420 -1.045 1131 HB ILE 148 HB ILE 148 7.172 26.382 -1.089 1132 1HG1 ILE 148 2HG1 ILE 148 4.233 27.107 -1.275 1133 2HG1 ILE 148 3HG1 ILE 148 5.061 27.052 0.284 1134 1HG2 ILE 148 1HG2 ILE 148 5.967 27.108 -3.286 1135 2HG2 ILE 148 2HG2 ILE 148 6.873 25.619 -3.363 1136 3HG2 ILE 148 3HG2 ILE 148 5.110 25.567 -3.183 1137 1HD1 ILE 148 1HD1 ILE 148 5.911 28.851 -2.016 1138 2HD1 ILE 148 2HD1 ILE 148 5.067 29.316 -0.536 1139 3HD1 ILE 148 3HD1 ILE 148 6.721 28.685 -0.447 1140 H GLU 149 H GLU 149 5.604 22.144 -0.726 1141 HA GLU 149 HA GLU 149 6.889 20.347 -1.155 1142 1HB GLU 149 2HB GLU 149 5.672 20.864 -3.218 1143 2HB GLU 149 3HB GLU 149 7.051 21.795 -3.832 1144 1HG GLU 149 2HG GLU 149 6.746 19.457 -4.769 1145 2HG GLU 149 3HG GLU 149 8.350 19.785 -4.121 1146 H GLY 150 H GLY 150 8.436 21.920 0.364 1147 1HA GLY 150 2HA GLY 150 10.616 21.450 1.116 1148 2HA GLY 150 3HA GLY 150 11.154 21.098 -0.527 1149 H ARG 151 H ARG 151 9.410 23.856 -0.979 1150 HA ARG 151 HA ARG 151 11.715 25.674 -0.461 1151 1HB ARG 151 2HB ARG 151 10.960 25.347 -2.827 1152 2HB ARG 151 3HB ARG 151 9.379 25.987 -2.387 1153 1HG ARG 151 2HG ARG 151 11.504 27.783 -1.488 1154 2HG ARG 151 3HG ARG 151 11.723 27.413 -3.197 1155 1HD ARG 151 2HD ARG 151 9.584 28.239 -3.806 1156 2HD ARG 151 3HD ARG 151 8.984 28.267 -2.159 1157 HE ARG 151 HE ARG 151 10.530 30.305 -3.498 1158 1HH1 ARG 151 2HH2 ARG 151 9.834 28.916 -0.302 1159 2HH1 ARG 151 1HH2 ARG 151 10.229 30.345 0.585 1160 1HH2 ARG 151 2HH1 ARG 151 11.062 32.234 -2.337 1161 2HH2 ARG 151 1HH1 ARG 151 10.941 32.273 -0.606 Start of MODEL 23 1 1H MET 1 H1 MET 1 2.895 -12.630 9.969 2 2H MET 1 H2 MET 1 1.423 -13.315 10.281 3 3H MET 1 H3 MET 1 2.802 -14.082 10.751 4 HA MET 1 HA MET 1 1.859 -15.146 8.952 5 1HB MET 1 2HB MET 1 1.446 -14.224 6.868 6 2HB MET 1 3HB MET 1 0.695 -13.167 8.053 7 1HG MET 1 2HG MET 1 1.538 -11.634 6.576 8 2HG MET 1 3HG MET 1 2.883 -11.707 7.693 9 1HE MET 1 1HE MET 1 3.766 -10.371 5.180 10 2HE MET 1 2HE MET 1 4.912 -11.071 6.353 11 3HE MET 1 3HE MET 1 5.121 -11.387 4.623 12 H LEU 2 H LEU 2 4.464 -12.754 8.136 13 HA LEU 2 HA LEU 2 6.572 -12.962 7.628 14 1HB LEU 2 2HB LEU 2 6.608 -14.505 9.733 15 2HB LEU 2 3HB LEU 2 6.715 -15.830 8.570 16 HG LEU 2 HG LEU 2 8.725 -14.516 7.551 17 1HD1 LEU 2 1HD1 LEU 2 8.361 -12.358 8.776 18 2HD1 LEU 2 2HD1 LEU 2 8.577 -13.210 10.316 19 3HD1 LEU 2 3HD1 LEU 2 9.926 -13.072 9.174 20 1HD2 LEU 2 1HD2 LEU 2 8.903 -15.740 10.336 21 2HD2 LEU 2 2HD2 LEU 2 8.960 -16.617 8.790 22 3HD2 LEU 2 3HD2 LEU 2 10.266 -15.500 9.220 23 H SER 3 H SER 3 5.053 -16.131 6.825 24 HA SER 3 HA SER 3 5.465 -15.654 3.944 25 1HB SER 3 2HB SER 3 6.713 -18.064 5.349 26 2HB SER 3 3HB SER 3 6.727 -17.715 3.612 27 HG SER 3 HG SER 3 7.682 -15.557 4.688 28 H GLU 4 H GLU 4 3.127 -15.492 4.811 29 HA GLU 4 HA GLU 4 1.649 -18.017 4.557 30 1HB GLU 4 2HB GLU 4 2.752 -17.516 6.980 31 2HB GLU 4 3HB GLU 4 1.331 -16.483 7.106 32 1HG GLU 4 2HG GLU 4 -0.096 -18.509 6.669 33 2HG GLU 4 3HG GLU 4 1.387 -19.490 6.608 34 H GLN 5 H GLN 5 1.595 -15.734 2.972 35 HA GLN 5 HA GLN 5 0.675 -13.901 2.309 36 1HB GLN 5 2HB GLN 5 -1.757 -15.288 3.404 37 2HB GLN 5 3HB GLN 5 -1.736 -14.038 2.133 38 1HG GLN 5 2HG GLN 5 -1.681 -15.809 0.759 39 2HG GLN 5 3HG GLN 5 0.029 -15.734 1.050 40 1HE2 GLN 5 1HE2 GLN 5 1.117 -17.490 1.845 41 2HE2 GLN 5 2HE2 GLN 5 0.280 -18.894 2.521 42 H LYS 6 H LYS 6 -0.299 -11.962 2.360 43 HA LYS 6 HA LYS 6 -0.577 -10.829 5.116 44 1HB LYS 6 2HB LYS 6 0.587 -8.902 4.538 45 2HB LYS 6 3HB LYS 6 1.626 -10.277 4.117 46 1HG LYS 6 2HG LYS 6 0.760 -10.036 1.706 47 2HG LYS 6 3HG LYS 6 -0.042 -8.544 2.243 48 1HD LYS 6 2HD LYS 6 2.206 -7.802 3.138 49 2HD LYS 6 3HD LYS 6 2.938 -9.149 2.273 50 1HE LYS 6 2HE LYS 6 1.861 -8.342 0.168 51 2HE LYS 6 3HE LYS 6 1.185 -6.956 1.036 52 1HZ LYS 6 1HZ LYS 6 3.167 -6.410 -0.226 53 2HZ LYS 6 2HZ LYS 6 3.421 -6.118 1.353 54 3HZ LYS 6 3HZ LYS 6 4.078 -7.453 0.651 55 H GLU 7 H GLU 7 -2.035 -9.251 5.303 56 HA GLU 7 HA GLU 7 -4.231 -9.162 3.349 57 1HB GLU 7 2HB GLU 7 -5.463 -8.102 5.139 58 2HB GLU 7 3HB GLU 7 -4.810 -9.650 5.670 59 1HG GLU 7 2HG GLU 7 -3.702 -6.908 6.425 60 2HG GLU 7 3HG GLU 7 -4.733 -7.930 7.414 61 H ILE 8 H ILE 8 -4.374 -7.464 2.005 62 HA ILE 8 HA ILE 8 -3.317 -4.835 2.997 63 HB ILE 8 HB ILE 8 -1.805 -5.479 1.237 64 1HG1 ILE 8 2HG1 ILE 8 -3.700 -3.390 0.129 65 2HG1 ILE 8 3HG1 ILE 8 -2.650 -3.098 1.529 66 1HG2 ILE 8 1HG2 ILE 8 -3.231 -7.048 0.004 67 2HG2 ILE 8 2HG2 ILE 8 -4.205 -5.710 -0.637 68 3HG2 ILE 8 3HG2 ILE 8 -2.503 -5.825 -1.055 69 1HD1 ILE 8 1HD1 ILE 8 -1.553 -2.260 -0.424 70 2HD1 ILE 8 2HD1 ILE 8 -0.660 -3.687 0.119 71 3HD1 ILE 8 3HD1 ILE 8 -1.735 -3.778 -1.299 72 H ALA 9 H ALA 9 -5.006 -3.714 3.607 73 HA ALA 9 HA ALA 9 -7.614 -3.954 2.207 74 1HB ALA 9 1HB ALA 9 -8.533 -2.899 4.224 75 2HB ALA 9 2HB ALA 9 -7.682 -4.409 4.611 76 3HB ALA 9 3HB ALA 9 -6.911 -2.840 4.946 77 H MET 10 H MET 10 -8.154 -2.268 0.862 78 HA MET 10 HA MET 10 -7.063 0.450 1.274 79 1HB MET 10 2HB MET 10 -6.388 -1.381 -1.075 80 2HB MET 10 3HB MET 10 -6.340 0.365 -1.212 81 1HG MET 10 2HG MET 10 -4.720 0.366 0.798 82 2HG MET 10 3HG MET 10 -4.660 -1.387 0.610 83 1HE MET 10 1HE MET 10 -3.417 2.055 -0.666 84 2HE MET 10 2HE MET 10 -3.125 1.716 -2.390 85 3HE MET 10 3HE MET 10 -4.765 1.702 -1.774 86 H GLN 11 H GLN 11 -7.864 1.855 -0.706 87 HA GLN 11 HA GLN 11 -10.776 1.304 -1.043 88 1HB GLN 11 2HB GLN 11 -9.884 3.303 0.337 89 2HB GLN 11 3HB GLN 11 -9.322 3.932 -1.220 90 1HG GLN 11 2HG GLN 11 -11.847 3.531 -1.967 91 2HG GLN 11 3HG GLN 11 -12.138 3.512 -0.229 92 1HE2 GLN 11 1HE2 GLN 11 -9.750 5.620 -0.068 93 2HE2 GLN 11 2HE2 GLN 11 -10.611 7.096 -0.481 94 H VAL 12 H VAL 12 -11.636 1.385 -3.163 95 HA VAL 12 HA VAL 12 -9.954 2.243 -5.400 96 HB VAL 12 HB VAL 12 -9.334 -0.071 -5.113 97 1HG1 VAL 12 1HG1 VAL 12 -11.109 -0.838 -3.590 98 2HG1 VAL 12 2HG1 VAL 12 -12.305 -0.681 -4.880 99 3HG1 VAL 12 3HG1 VAL 12 -11.001 -1.888 -5.006 100 1HG2 VAL 12 1HG2 VAL 12 -9.822 0.561 -7.435 101 2HG2 VAL 12 2HG2 VAL 12 -10.237 -1.139 -7.131 102 3HG2 VAL 12 3HG2 VAL 12 -11.522 0.071 -7.222 103 H SER 13 H SER 13 -11.129 3.026 -7.092 104 HA SER 13 HA SER 13 -13.875 3.751 -6.447 105 1HB SER 13 2HB SER 13 -12.348 4.322 -8.991 106 2HB SER 13 3HB SER 13 -13.660 5.263 -8.258 107 HG SER 13 HG SER 13 -11.545 6.179 -7.887 108 H GLY 14 H GLY 14 -15.442 3.844 -8.332 109 1HA GLY 14 2HA GLY 14 -16.556 3.044 -10.163 110 2HA GLY 14 3HA GLY 14 -15.137 2.088 -10.612 111 H MET 15 H MET 15 -16.166 1.654 -7.374 112 HA MET 15 HA MET 15 -17.149 -1.066 -7.874 113 1HB MET 15 2HB MET 15 -16.797 0.632 -5.360 114 2HB MET 15 3HB MET 15 -17.371 -1.042 -5.370 115 1HG MET 15 2HG MET 15 -14.648 -0.116 -6.380 116 2HG MET 15 3HG MET 15 -15.025 -0.942 -4.860 117 1HE MET 15 1HE MET 15 -13.297 -2.728 -5.100 118 2HE MET 15 2HE MET 15 -13.143 -3.856 -6.448 119 3HE MET 15 3HE MET 15 -12.717 -2.145 -6.690 120 H THR 16 H THR 16 -18.785 0.081 -9.366 121 HA THR 16 HA THR 16 -20.816 1.660 -8.598 122 HB THR 16 HB THR 16 -21.102 -0.755 -10.427 123 HG1 THR 16 1HG THR 16 -19.832 0.327 -11.742 124 1HG2 THR 16 1HG2 THR 16 -23.248 0.435 -10.081 125 2HG2 THR 16 2HG2 THR 16 -22.456 1.984 -10.442 126 3HG2 THR 16 3HG2 THR 16 -22.619 0.748 -11.708 127 H CYS 17 H CYS 17 -20.623 -1.789 -7.927 128 HA CYS 17 HA CYS 17 -21.551 -2.136 -5.558 129 1HB CYS 17 2HB CYS 17 -23.534 -0.731 -5.574 130 2HB CYS 17 3HB CYS 17 -24.180 -1.604 -6.997 131 HG CYS 17 HG CYS 17 -23.645 -2.524 -3.892 132 H ALA 18 H ALA 18 -20.885 -4.194 -5.560 133 HA ALA 18 HA ALA 18 -20.442 -6.317 -6.216 134 1HB ALA 18 1HB ALA 18 -22.263 -7.774 -6.902 135 2HB ALA 18 2HB ALA 18 -22.850 -6.674 -5.649 136 3HB ALA 18 3HB ALA 18 -23.277 -6.390 -7.348 137 H ALA 19 H ALA 19 -20.985 -7.748 -8.549 138 HA ALA 19 HA ALA 19 -20.262 -8.074 -10.641 139 1HB ALA 19 1HB ALA 19 -21.507 -5.338 -11.108 140 2HB ALA 19 2HB ALA 19 -21.122 -6.551 -12.347 141 3HB ALA 19 3HB ALA 19 -22.338 -6.906 -11.107 142 H CYS 20 H CYS 20 -19.587 -4.604 -10.346 143 HA CYS 20 HA CYS 20 -17.166 -4.379 -11.768 144 1HB CYS 20 2HB CYS 20 -18.518 -2.884 -9.434 145 2HB CYS 20 3HB CYS 20 -16.997 -2.332 -10.043 146 HG CYS 20 HG CYS 20 -17.603 -2.016 -12.484 147 H ALA 21 H ALA 21 -17.768 -4.592 -8.287 148 HA ALA 21 HA ALA 21 -15.094 -5.037 -7.474 149 1HB ALA 21 1HB ALA 21 -17.535 -6.125 -6.006 150 2HB ALA 21 2HB ALA 21 -16.045 -5.405 -5.357 151 3HB ALA 21 3HB ALA 21 -17.240 -4.379 -6.122 152 H ALA 22 H ALA 22 -17.709 -7.362 -8.080 153 HA ALA 22 HA ALA 22 -16.333 -9.722 -7.394 154 1HB ALA 22 1HB ALA 22 -18.774 -9.568 -7.797 155 2HB ALA 22 2HB ALA 22 -18.470 -9.317 -9.531 156 3HB ALA 22 3HB ALA 22 -18.035 -10.860 -8.766 157 H ARG 23 H ARG 23 -16.363 -7.933 -10.500 158 HA ARG 23 HA ARG 23 -14.968 -9.906 -11.999 159 1HB ARG 23 2HB ARG 23 -15.709 -6.999 -12.291 160 2HB ARG 23 3HB ARG 23 -14.298 -7.504 -13.198 161 1HG ARG 23 2HG ARG 23 -17.030 -8.854 -13.354 162 2HG ARG 23 3HG ARG 23 -16.348 -7.687 -14.503 163 1HD ARG 23 2HD ARG 23 -14.286 -9.443 -14.369 164 2HD ARG 23 3HD ARG 23 -15.603 -10.577 -14.057 165 HE ARG 23 HE ARG 23 -16.581 -9.228 -16.196 166 1HH1 ARG 23 2HH2 ARG 23 -13.449 -10.776 -15.693 167 2HH1 ARG 23 1HH2 ARG 23 -13.109 -11.001 -17.381 168 1HH2 ARG 23 2HH1 ARG 23 -16.152 -9.491 -18.446 169 2HH2 ARG 23 1HH1 ARG 23 -14.704 -10.273 -18.979 170 H ILE 24 H ILE 24 -13.867 -7.108 -10.024 171 HA ILE 24 HA ILE 24 -11.107 -7.410 -10.749 172 HB ILE 24 HB ILE 24 -12.407 -6.175 -8.301 173 1HG1 ILE 24 2HG1 ILE 24 -11.221 -4.745 -10.737 174 2HG1 ILE 24 3HG1 ILE 24 -12.912 -5.235 -10.744 175 1HG2 ILE 24 1HG2 ILE 24 -10.104 -6.731 -7.874 176 2HG2 ILE 24 2HG2 ILE 24 -9.608 -5.902 -9.374 177 3HG2 ILE 24 3HG2 ILE 24 -10.317 -4.988 -8.015 178 1HD1 ILE 24 1HD1 ILE 24 -13.324 -3.983 -8.676 179 2HD1 ILE 24 2HD1 ILE 24 -11.656 -3.333 -8.749 180 3HD1 ILE 24 3HD1 ILE 24 -12.832 -2.969 -10.015 181 H GLU 25 H GLU 25 -12.981 -8.454 -7.768 182 HA GLU 25 HA GLU 25 -10.827 -9.835 -6.682 183 1HB GLU 25 2HB GLU 25 -13.758 -10.625 -6.406 184 2HB GLU 25 3HB GLU 25 -12.423 -10.977 -5.294 185 1HG GLU 25 2HG GLU 25 -13.722 -8.293 -5.833 186 2HG GLU 25 3HG GLU 25 -13.588 -9.171 -4.331 187 H LYS 26 H LYS 26 -13.252 -11.100 -9.038 188 HA LYS 26 HA LYS 26 -12.245 -13.736 -9.061 189 1HB LYS 26 2HB LYS 26 -14.444 -12.897 -10.038 190 2HB LYS 26 3HB LYS 26 -13.496 -12.365 -11.447 191 1HG LYS 26 2HG LYS 26 -12.501 -14.765 -11.344 192 2HG LYS 26 3HG LYS 26 -13.848 -15.174 -10.291 193 1HD LYS 26 2HD LYS 26 -14.061 -14.087 -13.144 194 2HD LYS 26 3HD LYS 26 -14.170 -15.795 -12.682 195 1HE LYS 26 2HE LYS 26 -16.153 -15.239 -11.220 196 2HE LYS 26 3HE LYS 26 -16.105 -13.582 -11.842 197 1HZ LYS 26 1HZ LYS 26 -16.482 -14.493 -14.052 198 2HZ LYS 26 2HZ LYS 26 -16.532 -16.024 -13.447 199 3HZ LYS 26 3HZ LYS 26 -17.683 -14.935 -13.024 200 H GLY 27 H GLY 27 -11.423 -10.876 -11.087 201 1HA GLY 27 2HA GLY 27 -9.539 -12.108 -12.810 202 2HA GLY 27 3HA GLY 27 -9.607 -10.391 -12.370 203 H LEU 28 H LEU 28 -9.176 -10.614 -9.582 204 HA LEU 28 HA LEU 28 -6.302 -10.961 -9.512 205 1HB LEU 28 2HB LEU 28 -8.439 -10.075 -7.561 206 2HB LEU 28 3HB LEU 28 -6.853 -10.522 -6.949 207 HG LEU 28 HG LEU 28 -7.126 -8.055 -7.374 208 1HD1 LEU 28 1HD1 LEU 28 -4.936 -9.285 -9.104 209 2HD1 LEU 28 2HD1 LEU 28 -4.947 -7.743 -8.237 210 3HD1 LEU 28 3HD1 LEU 28 -4.900 -9.266 -7.330 211 1HD2 LEU 28 1HD2 LEU 28 -6.910 -7.167 -9.624 212 2HD2 LEU 28 2HD2 LEU 28 -7.158 -8.785 -10.307 213 3HD2 LEU 28 3HD2 LEU 28 -8.440 -7.992 -9.376 214 H LYS 29 H LYS 29 -9.068 -12.868 -8.299 215 HA LYS 29 HA LYS 29 -7.619 -14.812 -6.903 216 1HB LYS 29 2HB LYS 29 -10.318 -14.472 -7.598 217 2HB LYS 29 3HB LYS 29 -9.862 -15.910 -8.479 218 1HG LYS 29 2HG LYS 29 -10.522 -16.845 -6.476 219 2HG LYS 29 3HG LYS 29 -8.801 -16.665 -6.183 220 1HD LYS 29 2HD LYS 29 -9.795 -15.859 -4.215 221 2HD LYS 29 3HD LYS 29 -9.402 -14.370 -5.087 222 1HE LYS 29 2HE LYS 29 -11.786 -14.203 -5.855 223 2HE LYS 29 3HE LYS 29 -12.124 -15.778 -5.115 224 1HZ LYS 29 1HZ LYS 29 -11.605 -13.249 -3.664 225 2HZ LYS 29 2HZ LYS 29 -12.918 -14.192 -3.644 226 3HZ LYS 29 3HZ LYS 29 -11.547 -14.709 -2.942 227 H ARG 30 H ARG 30 -7.638 -14.246 -10.321 228 HA ARG 30 HA ARG 30 -6.850 -16.817 -11.248 229 1HB ARG 30 2HB ARG 30 -7.348 -14.351 -12.402 230 2HB ARG 30 3HB ARG 30 -5.607 -14.402 -12.506 231 1HG ARG 30 2HG ARG 30 -6.462 -15.262 -14.545 232 2HG ARG 30 3HG ARG 30 -5.814 -16.661 -13.668 233 1HD ARG 30 2HD ARG 30 -8.063 -17.346 -13.010 234 2HD ARG 30 3HD ARG 30 -8.755 -15.827 -13.632 235 HE ARG 30 HE ARG 30 -7.434 -17.061 -15.781 236 1HH1 ARG 30 2HH2 ARG 30 -10.115 -17.808 -13.629 237 2HH1 ARG 30 1HH2 ARG 30 -11.020 -18.735 -14.787 238 1HH2 ARG 30 2HH1 ARG 30 -8.622 -18.253 -17.384 239 2HH2 ARG 30 1HH1 ARG 30 -10.145 -18.974 -16.986 240 H MET 31 H MET 31 -5.070 -14.373 -9.448 241 HA MET 31 HA MET 31 -2.437 -15.154 -10.340 242 1HB MET 31 2HB MET 31 -3.509 -13.585 -7.985 243 2HB MET 31 3HB MET 31 -1.782 -13.798 -8.246 244 1HG MET 31 2HG MET 31 -3.507 -12.659 -10.470 245 2HG MET 31 3HG MET 31 -2.996 -11.670 -9.123 246 1HE MET 31 1HE MET 31 -1.109 -10.065 -9.591 247 2HE MET 31 2HE MET 31 -0.182 -10.189 -11.104 248 3HE MET 31 3HE MET 31 -1.961 -10.125 -11.139 249 HA PRO 32 HA PRO 32 -2.031 -18.732 -7.715 250 1HB PRO 32 2HB PRO 32 0.678 -18.967 -7.448 251 2HB PRO 32 3HB PRO 32 -0.181 -19.286 -8.978 252 1HG PRO 32 2HG PRO 32 1.248 -16.747 -8.161 253 2HG PRO 32 3HG PRO 32 1.385 -17.631 -9.703 254 1HD PRO 32 2HD PRO 32 -0.255 -15.466 -9.429 255 2HD PRO 32 3HD PRO 32 -0.739 -16.865 -10.435 256 H GLY 33 H GLY 33 -0.127 -15.786 -6.724 257 1HA GLY 33 2HA GLY 33 0.333 -16.669 -4.062 258 2HA GLY 33 3HA GLY 33 0.451 -15.014 -4.680 259 H VAL 34 H VAL 34 -2.419 -15.170 -5.673 260 HA VAL 34 HA VAL 34 -3.638 -13.970 -3.349 261 HB VAL 34 HB VAL 34 -4.682 -14.643 -6.101 262 1HG1 VAL 34 1HG1 VAL 34 -6.600 -14.752 -4.593 263 2HG1 VAL 34 2HG1 VAL 34 -6.076 -13.262 -3.773 264 3HG1 VAL 34 3HG1 VAL 34 -6.632 -13.208 -5.458 265 1HG2 VAL 34 1HG2 VAL 34 -4.619 -12.190 -6.364 266 2HG2 VAL 34 2HG2 VAL 34 -4.123 -11.985 -4.683 267 3HG2 VAL 34 3HG2 VAL 34 -3.015 -12.739 -5.844 268 H THR 35 H THR 35 -4.099 -15.013 -1.623 269 HA THR 35 HA THR 35 -5.007 -17.757 -1.798 270 HB THR 35 HB THR 35 -4.602 -15.957 0.587 271 HG1 THR 35 1HG THR 35 -3.113 -17.901 -0.862 272 1HG2 THR 35 1HG2 THR 35 -5.115 -18.965 0.439 273 2HG2 THR 35 2HG2 THR 35 -4.609 -18.068 1.885 274 3HG2 THR 35 3HG2 THR 35 -6.195 -17.748 1.163 275 H ASP 36 H ASP 36 -6.178 -14.461 -0.845 276 HA ASP 36 HA ASP 36 -8.686 -15.194 -2.020 277 1HB ASP 36 2HB ASP 36 -8.898 -15.910 0.447 278 2HB ASP 36 3HB ASP 36 -8.849 -14.192 0.851 279 H ALA 37 H ALA 37 -10.178 -13.303 -1.958 280 HA ALA 37 HA ALA 37 -8.922 -10.653 -2.152 281 1HB ALA 37 1HB ALA 37 -8.297 -11.805 -4.300 282 2HB ALA 37 2HB ALA 37 -10.022 -12.018 -4.657 283 3HB ALA 37 3HB ALA 37 -9.323 -10.393 -4.539 284 H ASN 38 H ASN 38 -10.451 -9.505 -1.089 285 HA ASN 38 HA ASN 38 -13.334 -10.237 -1.333 286 1HB ASN 38 2HB ASN 38 -11.918 -9.332 1.211 287 2HB ASN 38 3HB ASN 38 -13.570 -9.942 1.064 288 1HD2 ASN 38 1HD2 ASN 38 -13.408 -12.355 -0.202 289 2HD2 ASN 38 2HD2 ASN 38 -12.291 -13.416 0.661 290 H VAL 39 H VAL 39 -14.752 -8.364 -0.675 291 HA VAL 39 HA VAL 39 -13.498 -5.730 -0.721 292 HB VAL 39 HB VAL 39 -13.344 -6.341 -3.035 293 1HG1 VAL 39 1HG1 VAL 39 -15.286 -8.041 -2.992 294 2HG1 VAL 39 2HG1 VAL 39 -16.353 -6.651 -3.251 295 3HG1 VAL 39 3HG1 VAL 39 -15.079 -7.054 -4.424 296 1HG2 VAL 39 1HG2 VAL 39 -15.621 -4.351 -2.715 297 2HG2 VAL 39 2HG2 VAL 39 -13.907 -3.995 -2.413 298 3HG2 VAL 39 3HG2 VAL 39 -14.438 -4.465 -4.032 299 H ASN 40 H ASN 40 -14.424 -4.694 0.782 300 HA ASN 40 HA ASN 40 -17.303 -5.015 1.419 301 1HB ASN 40 2HB ASN 40 -15.096 -3.235 2.562 302 2HB ASN 40 3HB ASN 40 -16.800 -3.211 3.054 303 1HD2 ASN 40 1HD2 ASN 40 -15.287 -3.508 5.091 304 2HD2 ASN 40 2HD2 ASN 40 -15.273 -5.174 5.639 305 H LEU 41 H LEU 41 -17.706 -4.441 -0.885 306 HA LEU 41 HA LEU 41 -17.572 -1.798 -1.884 307 1HB LEU 41 2HB LEU 41 -19.580 -2.355 -3.152 308 2HB LEU 41 3HB LEU 41 -18.410 -3.670 -3.179 309 HG LEU 41 HG LEU 41 -20.066 -4.285 -0.984 310 1HD1 LEU 41 1HD1 LEU 41 -21.788 -3.325 -3.296 311 2HD1 LEU 41 2HD1 LEU 41 -22.357 -4.162 -1.839 312 3HD1 LEU 41 3HD1 LEU 41 -21.673 -2.530 -1.710 313 1HD2 LEU 41 1HD2 LEU 41 -20.252 -5.285 -3.849 314 2HD2 LEU 41 2HD2 LEU 41 -19.160 -5.901 -2.592 315 3HD2 LEU 41 3HD2 LEU 41 -20.914 -6.099 -2.417 316 H ALA 42 H ALA 42 -19.267 -3.024 0.850 317 HA ALA 42 HA ALA 42 -21.301 -1.048 1.101 318 1HB ALA 42 1HB ALA 42 -21.375 -3.230 2.265 319 2HB ALA 42 2HB ALA 42 -19.944 -2.778 3.221 320 3HB ALA 42 3HB ALA 42 -21.468 -1.890 3.427 321 H THR 43 H THR 43 -17.845 -1.098 1.997 322 HA THR 43 HA THR 43 -18.138 1.715 3.003 323 HB THR 43 HB THR 43 -16.194 1.098 4.553 324 HG1 THR 43 1HG THR 43 -17.223 -1.505 4.146 325 1HG2 THR 43 1HG2 THR 43 -17.678 0.178 6.281 326 2HG2 THR 43 2HG2 THR 43 -18.499 1.464 5.378 327 3HG2 THR 43 3HG2 THR 43 -18.897 -0.234 5.059 328 H GLU 44 H GLU 44 -17.357 0.186 0.410 329 HA GLU 44 HA GLU 44 -15.728 0.034 -1.118 330 1HB GLU 44 2HB GLU 44 -15.561 3.002 -0.467 331 2HB GLU 44 3HB GLU 44 -14.732 2.232 -1.831 332 1HG GLU 44 2HG GLU 44 -16.908 1.388 -2.692 333 2HG GLU 44 3HG GLU 44 -17.739 2.244 -1.381 334 H THR 45 H THR 45 -14.606 -1.415 0.613 335 HA THR 45 HA THR 45 -11.839 -0.462 0.517 336 HB THR 45 HB THR 45 -13.395 -1.394 2.916 337 HG1 THR 45 1HG THR 45 -11.088 0.193 3.016 338 1HG2 THR 45 1HG2 THR 45 -11.822 -3.186 2.842 339 2HG2 THR 45 2HG2 THR 45 -10.551 -2.087 2.269 340 3HG2 THR 45 3HG2 THR 45 -11.155 -1.982 3.950 341 H VAL 46 H VAL 46 -10.806 -1.851 -0.782 342 HA VAL 46 HA VAL 46 -11.816 -4.593 -1.266 343 HB VAL 46 HB VAL 46 -11.201 -3.325 -3.233 344 1HG1 VAL 46 1HG1 VAL 46 -8.856 -2.697 -3.713 345 2HG1 VAL 46 2HG1 VAL 46 -9.454 -1.773 -2.339 346 3HG1 VAL 46 3HG1 VAL 46 -8.366 -3.147 -2.076 347 1HG2 VAL 46 1HG2 VAL 46 -9.149 -5.464 -2.609 348 2HG2 VAL 46 2HG2 VAL 46 -10.823 -5.764 -3.132 349 3HG2 VAL 46 3HG2 VAL 46 -9.685 -4.945 -4.219 350 H ASN 47 H ASN 47 -10.651 -6.346 -0.368 351 HA ASN 47 HA ASN 47 -8.211 -5.702 1.144 352 1HB ASN 47 2HB ASN 47 -10.019 -5.713 2.765 353 2HB ASN 47 3HB ASN 47 -10.568 -7.296 2.157 354 1HD2 ASN 47 1HD2 ASN 47 -10.289 -7.963 4.459 355 2HD2 ASN 47 2HD2 ASN 47 -8.671 -8.397 4.978 356 H VAL 48 H VAL 48 -6.689 -6.936 0.366 357 HA VAL 48 HA VAL 48 -7.450 -9.508 -1.000 358 HB VAL 48 HB VAL 48 -5.054 -7.896 -1.863 359 1HG1 VAL 48 1HG1 VAL 48 -5.411 -10.332 -2.565 360 2HG1 VAL 48 2HG1 VAL 48 -6.900 -9.813 -3.362 361 3HG1 VAL 48 3HG1 VAL 48 -5.340 -9.182 -3.913 362 1HG2 VAL 48 1HG2 VAL 48 -6.885 -6.312 -2.164 363 2HG2 VAL 48 2HG2 VAL 48 -6.471 -7.004 -3.735 364 3HG2 VAL 48 3HG2 VAL 48 -7.913 -7.581 -2.877 365 H ILE 49 H ILE 49 -6.370 -11.314 -0.413 366 HA ILE 49 HA ILE 49 -4.148 -11.013 1.527 367 HB ILE 49 HB ILE 49 -6.379 -13.064 1.508 368 1HG1 ILE 49 2HG1 ILE 49 -5.582 -11.143 3.734 369 2HG1 ILE 49 3HG1 ILE 49 -6.767 -10.684 2.508 370 1HG2 ILE 49 1HG2 ILE 49 -5.213 -13.976 3.552 371 2HG2 ILE 49 2HG2 ILE 49 -4.231 -14.158 2.109 372 3HG2 ILE 49 3HG2 ILE 49 -3.871 -12.857 3.256 373 1HD1 ILE 49 1HD1 ILE 49 -7.910 -11.494 4.469 374 2HD1 ILE 49 2HD1 ILE 49 -8.200 -12.581 3.098 375 3HD1 ILE 49 3HD1 ILE 49 -7.068 -13.050 4.389 376 H TYR 50 H TYR 50 -2.288 -11.635 0.478 377 HA TYR 50 HA TYR 50 -2.341 -14.101 -1.118 378 1HB TYR 50 2HB TYR 50 -1.206 -12.936 -3.066 379 2HB TYR 50 3HB TYR 50 -2.807 -12.247 -2.757 380 HD1 TYR 50 HD1 TYR 50 -3.227 -10.093 -2.074 381 HD2 TYR 50 HD2 TYR 50 0.814 -11.519 -2.530 382 HE1 TYR 50 HE1 TYR 50 -2.397 -7.815 -1.877 383 HE2 TYR 50 HE2 TYR 50 1.663 -9.230 -2.088 384 HH TYR 50 HH TYR 50 -0.571 -6.551 -1.256 385 H ASP 51 H ASP 51 -0.010 -14.711 -1.744 386 HA ASP 51 HA ASP 51 1.672 -14.195 0.619 387 1HB ASP 51 2HB ASP 51 1.310 -16.485 -0.627 388 2HB ASP 51 3HB ASP 51 2.708 -15.926 -1.546 389 HA PRO 52 HA PRO 52 3.840 -11.001 -1.675 390 1HB PRO 52 2HB PRO 52 5.536 -10.071 0.237 391 2HB PRO 52 3HB PRO 52 3.766 -9.919 0.360 392 1HG PRO 52 2HG PRO 52 5.499 -12.108 1.570 393 2HG PRO 52 3HG PRO 52 4.349 -11.052 2.440 394 1HD PRO 52 2HD PRO 52 3.648 -13.518 1.558 395 2HD PRO 52 3HD PRO 52 2.484 -12.160 1.487 396 H ALA 53 H ALA 53 4.574 -13.664 -2.250 397 HA ALA 53 HA ALA 53 7.420 -13.251 -2.981 398 1HB ALA 53 1HB ALA 53 6.421 -15.747 -1.544 399 2HB ALA 53 2HB ALA 53 8.059 -15.494 -2.188 400 3HB ALA 53 3HB ALA 53 7.472 -14.495 -0.847 401 H GLU 54 H GLU 54 4.365 -14.062 -4.073 402 HA GLU 54 HA GLU 54 5.508 -15.442 -6.459 403 1HB GLU 54 2HB GLU 54 2.702 -15.494 -5.259 404 2HB GLU 54 3HB GLU 54 3.206 -16.238 -6.788 405 1HG GLU 54 2HG GLU 54 4.927 -17.567 -5.441 406 2HG GLU 54 3HG GLU 54 4.079 -17.018 -3.981 407 H THR 55 H THR 55 3.391 -12.789 -5.217 408 HA THR 55 HA THR 55 2.627 -12.133 -8.019 409 HB THR 55 HB THR 55 1.151 -12.187 -5.373 410 HG1 THR 55 1HG THR 55 1.550 -14.103 -6.765 411 1HG2 THR 55 1HG2 THR 55 0.260 -11.151 -8.081 412 2HG2 THR 55 2HG2 THR 55 -0.819 -11.563 -6.720 413 3HG2 THR 55 3HG2 THR 55 0.370 -10.252 -6.541 414 H GLY 56 H GLY 56 1.994 -10.198 -5.081 415 1HA GLY 56 2HA GLY 56 3.652 -8.653 -4.210 416 2HA GLY 56 3HA GLY 56 4.170 -8.287 -5.856 417 H THR 57 H THR 57 2.504 -7.051 -3.441 418 HA THR 57 HA THR 57 0.125 -5.963 -4.009 419 HB THR 57 HB THR 57 1.372 -5.315 -2.043 420 HG1 THR 57 1HG THR 57 1.140 -2.874 -2.492 421 1HG2 THR 57 1HG2 THR 57 3.180 -3.772 -1.990 422 2HG2 THR 57 2HG2 THR 57 3.610 -5.168 -2.988 423 3HG2 THR 57 3HG2 THR 57 3.160 -3.619 -3.750 424 H ALA 58 H ALA 58 3.111 -4.799 -5.624 425 HA ALA 58 HA ALA 58 1.905 -2.696 -7.084 426 1HB ALA 58 1HB ALA 58 3.883 -2.850 -8.543 427 2HB ALA 58 2HB ALA 58 4.335 -2.954 -6.831 428 3HB ALA 58 3HB ALA 58 4.303 -4.425 -7.833 429 H ALA 59 H ALA 59 2.174 -6.210 -7.846 430 HA ALA 59 HA ALA 59 1.072 -5.865 -10.533 431 1HB ALA 59 1HB ALA 59 1.016 -8.241 -10.589 432 2HB ALA 59 2HB ALA 59 2.592 -7.713 -9.955 433 3HB ALA 59 3HB ALA 59 1.352 -8.356 -8.841 434 H ILE 60 H ILE 60 -0.085 -6.617 -7.249 435 HA ILE 60 HA ILE 60 -2.735 -7.410 -7.910 436 HB ILE 60 HB ILE 60 -1.892 -5.774 -5.488 437 1HG1 ILE 60 2HG1 ILE 60 -0.550 -7.882 -5.700 438 2HG1 ILE 60 3HG1 ILE 60 -1.521 -7.705 -4.261 439 1HG2 ILE 60 1HG2 ILE 60 -4.268 -5.737 -5.673 440 2HG2 ILE 60 2HG2 ILE 60 -4.332 -7.491 -5.914 441 3HG2 ILE 60 3HG2 ILE 60 -3.793 -6.828 -4.361 442 1HD1 ILE 60 1HD1 ILE 60 -2.234 -9.419 -6.663 443 2HD1 ILE 60 2HD1 ILE 60 -1.554 -9.974 -5.114 444 3HD1 ILE 60 3HD1 ILE 60 -3.181 -9.294 -5.154 445 H GLN 61 H GLN 61 -1.434 -4.154 -7.053 446 HA GLN 61 HA GLN 61 -3.870 -2.824 -7.688 447 1HB GLN 61 2HB GLN 61 -2.890 -0.864 -7.185 448 2HB GLN 61 3HB GLN 61 -1.797 -1.960 -6.334 449 1HG GLN 61 2HG GLN 61 -0.241 -1.782 -8.318 450 2HG GLN 61 3HG GLN 61 -1.333 -0.600 -9.046 451 1HE2 GLN 61 1HE2 GLN 61 -1.342 1.524 -8.188 452 2HE2 GLN 61 2HE2 GLN 61 -0.180 2.015 -6.920 453 H GLU 62 H GLU 62 -0.946 -3.585 -9.712 454 HA GLU 62 HA GLU 62 -1.821 -2.105 -11.940 455 1HB GLU 62 2HB GLU 62 0.434 -3.143 -11.764 456 2HB GLU 62 3HB GLU 62 -0.303 -4.744 -12.012 457 1HG GLU 62 2HG GLU 62 -1.216 -3.968 -14.196 458 2HG GLU 62 3HG GLU 62 -0.496 -2.373 -13.928 459 H LYS 63 H LYS 63 -2.863 -5.415 -10.794 460 HA LYS 63 HA LYS 63 -4.263 -5.877 -13.214 461 1HB LYS 63 2HB LYS 63 -3.369 -7.609 -11.589 462 2HB LYS 63 3HB LYS 63 -4.681 -7.163 -10.508 463 1HG LYS 63 2HG LYS 63 -5.277 -9.134 -11.812 464 2HG LYS 63 3HG LYS 63 -6.336 -7.771 -12.177 465 1HD LYS 63 2HD LYS 63 -5.699 -9.099 -14.205 466 2HD LYS 63 3HD LYS 63 -5.376 -7.385 -14.317 467 1HE LYS 63 2HE LYS 63 -3.504 -8.599 -15.264 468 2HE LYS 63 3HE LYS 63 -2.962 -7.760 -13.820 469 1HZ LYS 63 1HZ LYS 63 -3.247 -9.839 -12.619 470 2HZ LYS 63 2HZ LYS 63 -3.635 -10.625 -14.011 471 3HZ LYS 63 3HZ LYS 63 -2.134 -9.972 -13.824 472 H ILE 64 H ILE 64 -5.199 -4.459 -10.021 473 HA ILE 64 HA ILE 64 -7.986 -4.163 -10.564 474 HB ILE 64 HB ILE 64 -6.064 -2.331 -9.050 475 1HG1 ILE 64 2HG1 ILE 64 -7.993 -4.483 -8.042 476 2HG1 ILE 64 3HG1 ILE 64 -6.256 -4.708 -8.193 477 1HG2 ILE 64 1HG2 ILE 64 -8.083 -1.102 -9.683 478 2HG2 ILE 64 2HG2 ILE 64 -9.098 -2.407 -9.023 479 3HG2 ILE 64 3HG2 ILE 64 -8.060 -1.422 -7.963 480 1HD1 ILE 64 1HD1 ILE 64 -6.666 -4.230 -5.921 481 2HD1 ILE 64 2HD1 ILE 64 -5.921 -2.773 -6.609 482 3HD1 ILE 64 3HD1 ILE 64 -7.673 -2.823 -6.289 483 H GLU 65 H GLU 65 -5.190 -2.052 -11.346 484 HA GLU 65 HA GLU 65 -6.706 -0.067 -12.683 485 1HB GLU 65 2HB GLU 65 -3.777 -0.876 -12.908 486 2HB GLU 65 3HB GLU 65 -4.459 0.571 -13.648 487 1HG GLU 65 2HG GLU 65 -5.165 1.416 -11.436 488 2HG GLU 65 3HG GLU 65 -4.628 -0.057 -10.646 489 H LYS 66 H LYS 66 -4.912 -2.820 -14.079 490 HA LYS 66 HA LYS 66 -5.718 -2.449 -16.772 491 1HB LYS 66 2HB LYS 66 -4.780 -4.864 -15.226 492 2HB LYS 66 3HB LYS 66 -5.253 -4.937 -16.929 493 1HG LYS 66 2HG LYS 66 -3.634 -3.152 -17.484 494 2HG LYS 66 3HG LYS 66 -3.053 -3.126 -15.807 495 1HD LYS 66 2HD LYS 66 -2.205 -5.365 -15.966 496 2HD LYS 66 3HD LYS 66 -3.193 -5.688 -17.394 497 1HE LYS 66 2HE LYS 66 -1.335 -5.458 -18.582 498 2HE LYS 66 3HE LYS 66 -1.647 -3.728 -18.468 499 1HZ LYS 66 1HZ LYS 66 -0.001 -3.677 -16.608 500 2HZ LYS 66 2HZ LYS 66 0.167 -5.272 -16.686 501 3HZ LYS 66 3HZ LYS 66 0.632 -4.333 -17.935 502 H LEU 67 H LEU 67 -7.498 -4.049 -14.065 503 HA LEU 67 HA LEU 67 -9.570 -5.112 -15.756 504 1HB LEU 67 2HB LEU 67 -9.159 -4.564 -12.830 505 2HB LEU 67 3HB LEU 67 -10.796 -4.775 -13.374 506 HG LEU 67 HG LEU 67 -9.331 -6.755 -12.472 507 1HD1 LEU 67 1HD1 LEU 67 -10.856 -8.314 -13.640 508 2HD1 LEU 67 2HD1 LEU 67 -11.716 -6.868 -13.087 509 3HD1 LEU 67 3HD1 LEU 67 -11.278 -7.035 -14.801 510 1HD2 LEU 67 1HD2 LEU 67 -7.607 -6.643 -14.322 511 2HD2 LEU 67 2HD2 LEU 67 -8.381 -8.215 -14.088 512 3HD2 LEU 67 3HD2 LEU 67 -8.862 -7.192 -15.445 513 H GLY 68 H GLY 68 -8.780 -1.848 -15.073 514 1HA GLY 68 2HA GLY 68 -9.745 -0.157 -16.351 515 2HA GLY 68 3HA GLY 68 -11.264 -1.051 -16.498 516 H TYR 69 H TYR 69 -9.286 -0.320 -13.628 517 HA TYR 69 HA TYR 69 -11.394 1.470 -12.514 518 1HB TYR 69 2HB TYR 69 -10.127 -0.897 -11.085 519 2HB TYR 69 3HB TYR 69 -11.196 0.290 -10.343 520 HD1 TYR 69 HD1 TYR 69 -11.018 -2.588 -12.625 521 HD2 TYR 69 HD2 TYR 69 -13.596 0.383 -10.900 522 HE1 TYR 69 HE1 TYR 69 -13.004 -3.816 -13.484 523 HE2 TYR 69 HE2 TYR 69 -15.579 -0.834 -11.759 524 HH TYR 69 HH TYR 69 -15.278 -3.799 -13.709 525 H HIS 70 H HIS 70 -10.374 2.307 -10.247 526 HA HIS 70 HA HIS 70 -7.501 2.895 -10.567 527 1HB HIS 70 2HB HIS 70 -9.743 4.924 -10.674 528 2HB HIS 70 3HB HIS 70 -8.262 5.333 -9.818 529 HD1 HIS 70 1HD HIS 70 -9.254 4.205 -13.399 530 HD2 HIS 70 2HD HIS 70 -6.187 6.084 -11.218 531 HE1 HIS 70 1HE HIS 70 -7.589 5.115 -15.110 532 H VAL 71 H VAL 71 -6.485 3.014 -8.642 533 HA VAL 71 HA VAL 71 -7.990 2.337 -6.206 534 HB VAL 71 HB VAL 71 -5.800 2.029 -5.228 535 1HG1 VAL 71 1HG1 VAL 71 -6.012 0.630 -7.924 536 2HG1 VAL 71 2HG1 VAL 71 -5.131 0.065 -6.495 537 3HG1 VAL 71 3HG1 VAL 71 -6.898 0.183 -6.449 538 1HG2 VAL 71 1HG2 VAL 71 -4.437 3.715 -6.464 539 2HG2 VAL 71 2HG2 VAL 71 -3.730 2.102 -6.550 540 3HG2 VAL 71 3HG2 VAL 71 -4.595 2.753 -7.947 541 H VAL 72 H VAL 72 -8.325 3.765 -4.503 542 HA VAL 72 HA VAL 72 -7.990 6.625 -5.251 543 HB VAL 72 HB VAL 72 -9.426 5.310 -2.934 544 1HG1 VAL 72 1HG1 VAL 72 -10.616 7.587 -2.855 545 2HG1 VAL 72 2HG1 VAL 72 -8.928 7.691 -2.369 546 3HG1 VAL 72 3HG1 VAL 72 -9.412 8.192 -3.998 547 1HG2 VAL 72 1HG2 VAL 72 -10.505 6.472 -5.509 548 2HG2 VAL 72 2HG2 VAL 72 -10.462 4.739 -5.100 549 3HG2 VAL 72 3HG2 VAL 72 -11.488 5.837 -4.174 550 H THR 73 H THR 73 -5.584 6.043 -5.124 551 HA THR 73 HA THR 73 -4.550 6.389 -2.330 552 HB THR 73 HB THR 73 -3.004 4.733 -4.316 553 HG1 THR 73 1HG THR 73 -5.156 3.868 -4.354 554 1HG2 THR 73 1HG2 THR 73 -3.632 4.274 -1.387 555 2HG2 THR 73 2HG2 THR 73 -2.189 3.741 -2.275 556 3HG2 THR 73 3HG2 THR 73 -2.413 5.453 -1.893 557 H GLU 74 H GLU 74 -2.440 7.491 -2.259 558 HA GLU 74 HA GLU 74 -1.724 8.857 -4.766 559 1HB GLU 74 2HB GLU 74 -2.772 10.111 -2.258 560 2HB GLU 74 3HB GLU 74 -1.245 10.799 -2.822 561 1HG GLU 74 2HG GLU 74 -3.673 10.455 -4.615 562 2HG GLU 74 3HG GLU 74 -3.242 11.950 -3.771 563 H LYS 75 H LYS 75 0.324 9.726 -4.767 564 HA LYS 75 HA LYS 75 2.285 7.984 -3.301 565 1HB LYS 75 2HB LYS 75 3.878 8.611 -5.037 566 2HB LYS 75 3HB LYS 75 2.544 7.590 -5.580 567 1HG LYS 75 2HG LYS 75 1.467 9.342 -6.742 568 2HG LYS 75 3HG LYS 75 2.418 10.596 -5.947 569 1HD LYS 75 2HD LYS 75 4.506 9.635 -6.970 570 2HD LYS 75 3HD LYS 75 3.485 8.508 -7.895 571 1HE LYS 75 2HE LYS 75 2.339 10.478 -8.951 572 2HE LYS 75 3HE LYS 75 3.357 11.571 -7.996 573 1HZ LYS 75 1HZ LYS 75 4.336 9.669 -10.017 574 2HZ LYS 75 2HZ LYS 75 4.222 11.301 -10.194 575 3HZ LYS 75 3HZ LYS 75 5.280 10.668 -9.106 576 H ALA 76 H ALA 76 2.224 9.162 -1.392 577 HA ALA 76 HA ALA 76 2.853 12.081 -1.451 578 1HB ALA 76 1HB ALA 76 2.236 10.096 0.772 579 2HB ALA 76 2HB ALA 76 2.545 11.826 0.990 580 3HB ALA 76 3HB ALA 76 1.128 11.297 0.075 581 H GLU 77 H GLU 77 4.807 12.829 -0.003 582 HA GLU 77 HA GLU 77 6.949 10.777 0.027 583 1HB GLU 77 2HB GLU 77 7.217 13.432 -1.409 584 2HB GLU 77 3HB GLU 77 8.479 12.208 -1.062 585 1HG GLU 77 2HG GLU 77 7.286 10.584 -2.479 586 2HG GLU 77 3HG GLU 77 6.150 11.857 -2.960 587 H PHE 78 H PHE 78 8.071 10.815 1.792 588 HA PHE 78 HA PHE 78 7.963 13.220 3.549 589 1HB PHE 78 2HB PHE 78 7.996 10.260 4.245 590 2HB PHE 78 3HB PHE 78 8.243 11.556 5.404 591 HD1 PHE 78 1HD PHE 78 6.354 12.436 6.563 592 HD2 PHE 78 2HD PHE 78 5.759 10.371 2.822 593 HE1 PHE 78 1HE PHE 78 3.933 12.893 6.673 594 HE2 PHE 78 2HE PHE 78 3.372 11.009 2.870 595 HZ PHE 78 HZ PHE 78 2.497 12.395 4.699 596 H ASP 79 H ASP 79 9.843 13.880 4.431 597 HA ASP 79 HA ASP 79 12.418 12.845 3.385 598 1HB ASP 79 2HB ASP 79 12.228 15.197 3.172 599 2HB ASP 79 3HB ASP 79 11.401 15.384 4.716 600 H ILE 80 H ILE 80 14.161 12.327 4.978 601 HA ILE 80 HA ILE 80 12.969 11.161 7.490 602 HB ILE 80 HB ILE 80 15.126 9.972 5.742 603 1HG1 ILE 80 2HG1 ILE 80 12.236 9.022 5.861 604 2HG1 ILE 80 3HG1 ILE 80 12.806 10.121 4.597 605 1HG2 ILE 80 1HG2 ILE 80 14.654 7.951 7.121 606 2HG2 ILE 80 2HG2 ILE 80 15.089 9.307 8.157 607 3HG2 ILE 80 3HG2 ILE 80 13.390 8.845 7.991 608 1HD1 ILE 80 1HD1 ILE 80 14.546 8.631 3.917 609 2HD1 ILE 80 2HD1 ILE 80 13.983 7.406 5.087 610 3HD1 ILE 80 3HD1 ILE 80 12.921 7.938 3.766 611 H GLU 81 H GLU 81 13.796 12.145 9.272 612 HA GLU 81 HA GLU 81 16.556 13.307 9.133 613 1HB GLU 81 2HB GLU 81 14.078 14.173 10.175 614 2HB GLU 81 3HB GLU 81 15.112 13.790 11.559 615 1HG GLU 81 2HG GLU 81 16.107 15.587 9.355 616 2HG GLU 81 3HG GLU 81 15.128 16.171 10.718 617 H GLY 82 H GLY 82 16.967 10.968 8.944 618 1HA GLY 82 2HA GLY 82 17.907 9.787 11.463 619 2HA GLY 82 3HA GLY 82 16.416 9.020 10.902 620 H MET 83 H MET 83 17.212 9.242 7.965 621 HA MET 83 HA MET 83 18.727 6.903 7.703 622 1HB MET 83 2HB MET 83 16.938 8.189 6.182 623 2HB MET 83 3HB MET 83 18.376 8.986 5.531 624 1HG MET 83 2HG MET 83 18.954 6.241 5.552 625 2HG MET 83 3HG MET 83 17.238 6.317 5.266 626 1HE MET 83 1HE MET 83 20.410 8.082 2.392 627 2HE MET 83 2HE MET 83 20.182 8.704 4.037 628 3HE MET 83 3HE MET 83 20.783 7.050 3.780 629 H THR 84 H THR 84 20.522 7.247 5.850 630 HA THR 84 HA THR 84 22.735 7.221 5.736 631 HB THR 84 HB THR 84 22.480 9.426 4.803 632 HG1 THR 84 1HG THR 84 24.661 9.132 6.565 633 1HG2 THR 84 1HG2 THR 84 21.453 10.786 6.516 634 2HG2 THR 84 2HG2 THR 84 22.815 10.518 7.637 635 3HG2 THR 84 3HG2 THR 84 23.032 11.455 6.144 636 H CYS 85 H CYS 85 21.543 6.339 8.141 637 HA CYS 85 HA CYS 85 23.779 6.874 10.111 638 1HB CYS 85 2HB CYS 85 21.673 7.514 11.044 639 2HB CYS 85 3HB CYS 85 20.943 5.958 10.613 640 HG CYS 85 HG CYS 85 21.446 6.080 13.179 641 H ALA 86 H ALA 86 21.664 4.270 8.833 642 HA ALA 86 HA ALA 86 24.083 2.686 8.368 643 1HB ALA 86 1HB ALA 86 23.148 0.635 9.426 644 2HB ALA 86 2HB ALA 86 23.550 1.899 10.601 645 3HB ALA 86 3HB ALA 86 21.858 1.612 10.166 646 H ALA 87 H ALA 87 20.629 1.816 8.509 647 HA ALA 87 HA ALA 87 20.351 1.833 5.553 648 1HB ALA 87 1HB ALA 87 21.456 -0.340 6.135 649 2HB ALA 87 2HB ALA 87 20.124 -0.693 7.255 650 3HB ALA 87 3HB ALA 87 19.820 -0.565 5.513 651 H CYS 88 H CYS 88 19.200 3.524 7.448 652 HA CYS 88 HA CYS 88 16.975 2.358 8.793 653 1HB CYS 88 2HB CYS 88 17.381 5.305 8.126 654 2HB CYS 88 3HB CYS 88 16.480 4.624 9.474 655 HG CYS 88 HG CYS 88 18.593 3.324 10.468 656 H ALA 89 H ALA 89 17.259 4.294 5.846 657 HA ALA 89 HA ALA 89 14.527 4.367 4.959 658 1HB ALA 89 1HB ALA 89 17.259 4.377 3.668 659 2HB ALA 89 2HB ALA 89 15.827 4.139 2.648 660 3HB ALA 89 3HB ALA 89 15.971 5.603 3.622 661 H ASN 90 H ASN 90 17.090 1.938 4.472 662 HA ASN 90 HA ASN 90 15.518 0.142 2.990 663 1HB ASN 90 2HB ASN 90 17.648 -0.892 4.877 664 2HB ASN 90 3HB ASN 90 17.119 -1.541 3.336 665 1HD2 ASN 90 1HD2 ASN 90 19.178 -1.568 2.328 666 2HD2 ASN 90 2HD2 ASN 90 20.062 -0.092 1.994 667 H ARG 91 H ARG 91 16.051 0.324 6.507 668 HA ARG 91 HA ARG 91 14.333 -1.864 7.224 669 1HB ARG 91 2HB ARG 91 15.132 0.627 8.794 670 2HB ARG 91 3HB ARG 91 14.243 -0.726 9.460 671 1HG ARG 91 2HG ARG 91 16.236 -2.208 8.574 672 2HG ARG 91 3HG ARG 91 17.090 -0.674 8.449 673 1HD ARG 91 2HD ARG 91 17.686 -1.410 10.567 674 2HD ARG 91 3HD ARG 91 16.375 -0.258 10.904 675 HE ARG 91 HE ARG 91 15.383 -2.952 10.536 676 1HH1 ARG 91 2HH2 ARG 91 16.959 -0.883 12.913 677 2HH1 ARG 91 1HH2 ARG 91 16.637 -1.909 14.274 678 1HH2 ARG 91 2HH1 ARG 91 14.988 -4.389 12.308 679 2HH2 ARG 91 1HH1 ARG 91 15.475 -3.952 13.912 680 H ILE 92 H ILE 92 13.614 1.660 6.861 681 HA ILE 92 HA ILE 92 10.870 1.249 7.638 682 HB ILE 92 HB ILE 92 10.422 3.495 6.938 683 1HG1 ILE 92 2HG1 ILE 92 13.239 4.205 6.584 684 2HG1 ILE 92 3HG1 ILE 92 12.325 3.565 5.176 685 1HG2 ILE 92 1HG2 ILE 92 12.777 3.088 8.817 686 2HG2 ILE 92 2HG2 ILE 92 11.835 4.586 8.713 687 3HG2 ILE 92 3HG2 ILE 92 11.042 3.093 9.212 688 1HD1 ILE 92 1HD1 ILE 92 10.578 5.247 5.543 689 2HD1 ILE 92 2HD1 ILE 92 11.522 5.949 6.878 690 3HD1 ILE 92 3HD1 ILE 92 12.158 5.978 5.220 691 H GLU 93 H GLU 93 12.513 0.950 4.511 692 HA GLU 93 HA GLU 93 10.344 1.124 2.751 693 1HB GLU 93 2HB GLU 93 12.638 0.884 2.008 694 2HB GLU 93 3HB GLU 93 12.831 -0.694 2.760 695 1HG GLU 93 2HG GLU 93 10.748 -0.196 0.674 696 2HG GLU 93 3HG GLU 93 12.428 -0.545 0.254 697 H LYS 94 H LYS 94 11.778 -1.776 4.271 698 HA LYS 94 HA LYS 94 9.704 -3.519 3.559 699 1HB LYS 94 2HB LYS 94 11.711 -3.557 5.856 700 2HB LYS 94 3HB LYS 94 10.607 -4.907 5.560 701 1HG LYS 94 2HG LYS 94 12.617 -3.817 3.551 702 2HG LYS 94 3HG LYS 94 12.819 -5.267 4.557 703 1HD LYS 94 2HD LYS 94 10.582 -6.110 3.506 704 2HD LYS 94 3HD LYS 94 10.799 -4.834 2.297 705 1HE LYS 94 2HE LYS 94 12.777 -7.066 2.864 706 2HE LYS 94 3HE LYS 94 11.676 -6.948 1.486 707 1HZ LYS 94 1HZ LYS 94 13.751 -6.086 0.794 708 2HZ LYS 94 2HZ LYS 94 12.785 -4.725 1.025 709 3HZ LYS 94 3HZ LYS 94 13.897 -5.130 2.125 710 H ARG 95 H ARG 95 9.794 -1.272 6.236 711 HA ARG 95 HA ARG 95 7.464 -2.527 7.546 712 1HB ARG 95 2HB ARG 95 8.806 0.174 7.886 713 2HB ARG 95 3HB ARG 95 7.452 -0.376 8.866 714 1HG ARG 95 2HG ARG 95 9.898 -2.177 8.659 715 2HG ARG 95 3HG ARG 95 10.009 -0.684 9.561 716 1HD ARG 95 2HD ARG 95 9.379 -2.430 11.112 717 2HD ARG 95 3HD ARG 95 8.002 -1.329 10.893 718 HE ARG 95 HE ARG 95 8.028 -3.667 9.128 719 1HH1 ARG 95 2HH2 ARG 95 7.022 -2.478 12.291 720 2HH1 ARG 95 1HH2 ARG 95 5.649 -3.530 12.438 721 1HH2 ARG 95 2HH1 ARG 95 6.201 -5.072 9.275 722 2HH2 ARG 95 1HH1 ARG 95 5.211 -5.083 10.700 723 H LEU 96 H LEU 96 7.895 0.651 6.035 724 HA LEU 96 HA LEU 96 5.149 1.288 5.790 725 1HB LEU 96 2HB LEU 96 7.450 2.294 4.146 726 2HB LEU 96 3HB LEU 96 5.815 2.966 4.225 727 HG LEU 96 HG LEU 96 7.907 2.929 6.453 728 1HD1 LEU 96 1HD1 LEU 96 6.222 5.117 5.192 729 2HD1 LEU 96 2HD1 LEU 96 7.516 5.340 6.395 730 3HD1 LEU 96 3HD1 LEU 96 7.909 4.752 4.768 731 1HD2 LEU 96 1HD2 LEU 96 6.181 4.037 7.892 732 2HD2 LEU 96 2HD2 LEU 96 4.938 3.488 6.750 733 3HD2 LEU 96 3HD2 LEU 96 5.928 2.311 7.652 734 H ASN 97 H ASN 97 7.155 -0.638 3.670 735 HA ASN 97 HA ASN 97 5.917 -1.078 1.351 736 1HB ASN 97 2HB ASN 97 7.758 -2.502 2.502 737 2HB ASN 97 3HB ASN 97 6.451 -3.430 3.218 738 1HD2 ASN 97 1HD2 ASN 97 8.590 -3.063 0.582 739 2HD2 ASN 97 2HD2 ASN 97 7.729 -4.072 -0.576 740 H LYS 98 H LYS 98 4.677 -2.220 4.493 741 HA LYS 98 HA LYS 98 2.026 -1.773 3.708 742 1HB LYS 98 2HB LYS 98 0.936 -3.759 3.505 743 2HB LYS 98 3HB LYS 98 2.305 -3.909 2.446 744 1HG LYS 98 2HG LYS 98 2.776 -5.841 3.411 745 2HG LYS 98 3HG LYS 98 3.302 -4.992 4.823 746 1HD LYS 98 2HD LYS 98 0.654 -4.894 5.368 747 2HD LYS 98 3HD LYS 98 0.565 -6.266 4.265 748 1HE LYS 98 2HE LYS 98 2.159 -7.497 5.758 749 2HE LYS 98 3HE LYS 98 2.340 -6.023 6.730 750 1HZ LYS 98 1HZ LYS 98 -0.237 -7.519 6.485 751 2HZ LYS 98 2HZ LYS 98 0.768 -7.553 7.750 752 3HZ LYS 98 3HZ LYS 98 0.026 -6.156 7.331 753 H ILE 99 H ILE 99 2.401 -0.432 5.548 754 HA ILE 99 HA ILE 99 2.295 -1.728 8.200 755 HB ILE 99 HB ILE 99 1.662 1.075 7.238 756 1HG1 ILE 99 2HG1 ILE 99 4.054 0.343 7.349 757 2HG1 ILE 99 3HG1 ILE 99 3.644 1.727 8.369 758 1HG2 ILE 99 1HG2 ILE 99 0.170 0.813 9.061 759 2HG2 ILE 99 2HG2 ILE 99 1.337 -0.137 10.006 760 3HG2 ILE 99 3HG2 ILE 99 1.604 1.597 9.732 761 1HD1 ILE 99 1HD1 ILE 99 5.186 0.211 9.496 762 2HD1 ILE 99 2HD1 ILE 99 3.644 0.234 10.362 763 3HD1 ILE 99 3HD1 ILE 99 4.075 -1.147 9.323 764 H GLU 100 H GLU 100 -0.204 0.101 6.456 765 HA GLU 100 HA GLU 100 -2.024 -2.238 6.704 766 1HB GLU 100 2HB GLU 100 -2.588 0.606 7.627 767 2HB GLU 100 3HB GLU 100 -3.859 -0.603 7.284 768 1HG GLU 100 2HG GLU 100 -2.735 -2.126 8.960 769 2HG GLU 100 3HG GLU 100 -1.664 -0.782 9.389 770 H GLY 101 H GLY 101 -3.387 0.708 5.556 771 1HA GLY 101 2HA GLY 101 -3.647 -0.511 2.931 772 2HA GLY 101 3HA GLY 101 -4.400 0.994 3.491 773 H VAL 102 H VAL 102 -1.117 -0.270 3.022 774 HA VAL 102 HA VAL 102 -0.317 2.142 1.435 775 HB VAL 102 HB VAL 102 1.494 0.209 2.898 776 1HG1 VAL 102 1HG1 VAL 102 3.043 2.294 2.543 777 2HG1 VAL 102 2HG1 VAL 102 2.704 1.217 1.174 778 3HG1 VAL 102 3HG1 VAL 102 1.874 2.775 1.328 779 1HG2 VAL 102 1HG2 VAL 102 0.154 1.416 4.581 780 2HG2 VAL 102 2HG2 VAL 102 1.837 1.954 4.578 781 3HG2 VAL 102 3HG2 VAL 102 0.590 2.961 3.828 782 H ALA 103 H ALA 103 -0.201 1.793 -0.685 783 HA ALA 103 HA ALA 103 -0.378 -0.842 -1.839 784 1HB ALA 103 1HB ALA 103 -1.295 0.939 -3.147 785 2HB ALA 103 2HB ALA 103 0.204 1.888 -3.057 786 3HB ALA 103 3HB ALA 103 0.145 0.379 -3.981 787 H ASN 104 H ASN 104 2.115 1.692 -1.510 788 HA ASN 104 HA ASN 104 4.322 -0.225 -1.603 789 1HB ASN 104 2HB ASN 104 4.183 1.936 -3.748 790 2HB ASN 104 3HB ASN 104 5.481 0.772 -3.508 791 1HD2 ASN 104 1HD2 ASN 104 2.814 1.450 -5.375 792 2HD2 ASN 104 2HD2 ASN 104 2.331 -0.157 -5.868 793 H ALA 105 H ALA 105 6.397 1.242 -1.672 794 HA ALA 105 HA ALA 105 6.272 3.834 -0.620 795 1HB ALA 105 1HB ALA 105 6.962 3.450 1.746 796 2HB ALA 105 2HB ALA 105 5.349 2.808 1.433 797 3HB ALA 105 3HB ALA 105 6.734 1.704 1.513 798 HA PRO 106 HA PRO 106 10.440 2.111 -1.886 799 1HB PRO 106 2HB PRO 106 10.955 3.642 -4.104 800 2HB PRO 106 3HB PRO 106 9.991 2.138 -4.143 801 1HG PRO 106 2HG PRO 106 8.984 4.977 -4.009 802 2HG PRO 106 3HG PRO 106 8.422 3.673 -5.087 803 1HD PRO 106 2HD PRO 106 7.086 4.277 -2.778 804 2HD PRO 106 3HD PRO 106 7.251 2.595 -3.350 805 H VAL 107 H VAL 107 12.511 3.125 -1.640 806 HA VAL 107 HA VAL 107 12.435 5.763 -0.258 807 HB VAL 107 HB VAL 107 14.078 4.880 1.292 808 1HG1 VAL 107 1HG1 VAL 107 11.636 3.055 1.164 809 2HG1 VAL 107 2HG1 VAL 107 12.627 3.413 2.591 810 3HG1 VAL 107 3HG1 VAL 107 11.690 4.695 1.832 811 1HG2 VAL 107 1HG2 VAL 107 14.573 2.447 1.424 812 2HG2 VAL 107 2HG2 VAL 107 13.712 2.179 -0.097 813 3HG2 VAL 107 3HG2 VAL 107 15.199 3.153 -0.068 814 H ASN 108 H ASN 108 14.237 7.133 -0.489 815 HA ASN 108 HA ASN 108 16.214 6.306 -2.601 816 1HB ASN 108 2HB ASN 108 15.067 9.013 -1.894 817 2HB ASN 108 3HB ASN 108 16.531 8.765 -2.857 818 1HD2 ASN 108 1HD2 ASN 108 13.233 9.330 -3.253 819 2HD2 ASN 108 2HD2 ASN 108 13.080 8.634 -4.853 820 H PHE 109 H PHE 109 18.261 6.401 -2.114 821 HA PHE 109 HA PHE 109 19.123 7.167 0.596 822 1HB PHE 109 2HB PHE 109 19.695 5.063 -1.178 823 2HB PHE 109 3HB PHE 109 21.101 6.091 -1.308 824 HD1 PHE 109 1HD PHE 109 22.656 6.264 0.618 825 HD2 PHE 109 2HD PHE 109 18.835 4.333 1.066 826 HE1 PHE 109 1HE PHE 109 23.311 5.491 2.867 827 HE2 PHE 109 2HE PHE 109 19.412 3.712 3.342 828 HZ PHE 109 HZ PHE 109 21.743 4.104 4.228 829 H ALA 110 H ALA 110 18.564 9.048 -1.750 830 HA ALA 110 HA ALA 110 21.252 10.392 -2.032 831 1HB ALA 110 1HB ALA 110 20.611 9.277 -4.131 832 2HB ALA 110 2HB ALA 110 19.036 10.097 -4.117 833 3HB ALA 110 3HB ALA 110 20.529 11.040 -4.300 834 H LEU 111 H LEU 111 17.720 10.789 -2.318 835 HA LEU 111 HA LEU 111 17.810 13.610 -1.596 836 1HB LEU 111 2HB LEU 111 15.431 11.733 -1.733 837 2HB LEU 111 3HB LEU 111 15.431 13.506 -1.817 838 HG LEU 111 HG LEU 111 16.456 11.538 -3.915 839 1HD1 LEU 111 1HD1 LEU 111 14.001 11.827 -3.770 840 2HD1 LEU 111 2HD1 LEU 111 14.201 13.581 -3.978 841 3HD1 LEU 111 3HD1 LEU 111 14.661 12.470 -5.284 842 1HD2 LEU 111 1HD2 LEU 111 16.871 13.550 -5.334 843 2HD2 LEU 111 2HD2 LEU 111 16.570 14.592 -3.927 844 3HD2 LEU 111 3HD2 LEU 111 17.961 13.485 -3.948 845 H GLU 112 H GLU 112 17.545 10.521 0.078 846 HA GLU 112 HA GLU 112 17.318 9.892 2.190 847 1HB GLU 112 2HB GLU 112 17.732 12.813 2.986 848 2HB GLU 112 3HB GLU 112 17.749 11.420 4.059 849 1HG GLU 112 2HG GLU 112 19.592 10.414 2.682 850 2HG GLU 112 3HG GLU 112 19.665 11.892 1.716 851 H THR 113 H THR 113 15.163 9.992 0.670 852 HA THR 113 HA THR 113 13.014 10.811 2.511 853 HB THR 113 HB THR 113 11.862 12.185 1.101 854 HG1 THR 113 1HG THR 113 13.150 10.852 -0.986 855 1HG2 THR 113 1HG2 THR 113 14.667 12.641 0.115 856 2HG2 THR 113 2HG2 THR 113 13.418 13.832 0.081 857 3HG2 THR 113 3HG2 THR 113 14.088 13.275 1.638 858 H VAL 114 H VAL 114 11.130 9.717 2.291 859 HA VAL 114 HA VAL 114 11.188 7.196 0.702 860 HB VAL 114 HB VAL 114 11.315 6.618 2.994 861 1HG1 VAL 114 1HG1 VAL 114 8.861 8.322 3.557 862 2HG1 VAL 114 2HG1 VAL 114 9.705 7.288 4.709 863 3HG1 VAL 114 3HG1 VAL 114 10.513 8.724 4.073 864 1HG2 VAL 114 1HG2 VAL 114 8.369 6.287 2.400 865 2HG2 VAL 114 2HG2 VAL 114 9.601 5.435 1.450 866 3HG2 VAL 114 3HG2 VAL 114 9.492 5.169 3.194 867 H THR 115 H THR 115 9.619 6.951 -0.791 868 HA THR 115 HA THR 115 7.382 8.864 -0.926 869 HB THR 115 HB THR 115 8.140 6.429 -2.572 870 HG1 THR 115 1HG THR 115 8.722 8.263 -4.064 871 1HG2 THR 115 1HG2 THR 115 5.749 7.012 -2.819 872 2HG2 THR 115 2HG2 THR 115 6.194 8.699 -3.144 873 3HG2 THR 115 3HG2 THR 115 6.651 7.417 -4.286 874 H VAL 116 H VAL 116 5.279 8.143 -0.364 875 HA VAL 116 HA VAL 116 4.948 5.353 0.573 876 HB VAL 116 HB VAL 116 5.366 6.728 2.545 877 1HG1 VAL 116 1HG1 VAL 116 3.899 8.448 3.293 878 2HG1 VAL 116 2HG1 VAL 116 4.391 8.892 1.649 879 3HG1 VAL 116 3HG1 VAL 116 2.783 8.206 1.951 880 1HG2 VAL 116 1HG2 VAL 116 2.518 5.722 2.256 881 2HG2 VAL 116 2HG2 VAL 116 3.936 4.753 2.702 882 3HG2 VAL 116 3HG2 VAL 116 3.353 6.028 3.787 883 H GLU 117 H GLU 117 3.492 4.476 -0.686 884 HA GLU 117 HA GLU 117 1.580 6.188 -2.174 885 1HB GLU 117 2HB GLU 117 3.349 4.651 -3.323 886 2HB GLU 117 3HB GLU 117 2.357 3.308 -2.762 887 1HG GLU 117 2HG GLU 117 0.387 4.520 -3.878 888 2HG GLU 117 3HG GLU 117 1.636 5.545 -4.639 889 H TYR 118 H TYR 118 -0.151 6.338 -0.601 890 HA TYR 118 HA TYR 118 -1.254 3.781 0.360 891 1HB TYR 118 2HB TYR 118 -0.915 4.109 2.625 892 2HB TYR 118 3HB TYR 118 0.654 4.537 1.962 893 HD1 TYR 118 HD1 TYR 118 -1.676 5.374 4.380 894 HD2 TYR 118 HD2 TYR 118 0.645 7.301 1.299 895 HE1 TYR 118 HE1 TYR 118 -1.741 7.490 5.646 896 HE2 TYR 118 HE2 TYR 118 0.512 9.432 2.535 897 HH TYR 118 HH TYR 118 -0.201 10.482 4.442 898 H ASN 119 H ASN 119 -3.158 3.996 1.671 899 HA ASN 119 HA ASN 119 -4.827 5.792 0.151 900 1HB ASN 119 2HB ASN 119 -5.064 3.190 0.872 901 2HB ASN 119 3HB ASN 119 -6.098 3.913 2.096 902 1HD2 ASN 119 1HD2 ASN 119 -7.353 6.036 0.786 903 2HD2 ASN 119 2HD2 ASN 119 -7.831 5.576 -0.821 904 HA PRO 120 HA PRO 120 -4.904 8.517 3.781 905 1HB PRO 120 2HB PRO 120 -6.195 10.674 2.764 906 2HB PRO 120 3HB PRO 120 -4.515 10.245 2.343 907 1HG PRO 120 2HG PRO 120 -7.025 9.547 0.790 908 2HG PRO 120 3HG PRO 120 -5.541 10.336 0.170 909 1HD PRO 120 2HD PRO 120 -5.918 7.681 -0.088 910 2HD PRO 120 3HD PRO 120 -4.303 8.326 0.324 911 H LYS 121 H LYS 121 -7.364 6.602 2.633 912 HA LYS 121 HA LYS 121 -9.458 7.683 4.484 913 1HB LYS 121 2HB LYS 121 -10.972 6.971 3.110 914 2HB LYS 121 3HB LYS 121 -9.697 6.838 1.927 915 1HG LYS 121 2HG LYS 121 -10.792 4.850 1.745 916 2HG LYS 121 3HG LYS 121 -9.431 4.360 2.744 917 1HD LYS 121 2HD LYS 121 -10.852 4.384 4.719 918 2HD LYS 121 3HD LYS 121 -12.161 5.179 3.869 919 1HE LYS 121 2HE LYS 121 -11.028 2.491 2.990 920 2HE LYS 121 3HE LYS 121 -12.184 2.522 4.322 921 1HZ LYS 121 1HZ LYS 121 -12.888 2.097 1.895 922 2HZ LYS 121 2HZ LYS 121 -13.896 2.899 2.854 923 3HZ LYS 121 3HZ LYS 121 -12.956 3.724 1.774 924 H GLU 122 H GLU 122 -7.098 5.104 3.946 925 HA GLU 122 HA GLU 122 -8.341 3.467 6.068 926 1HB GLU 122 2HB GLU 122 -7.250 2.809 3.597 927 2HB GLU 122 3HB GLU 122 -5.922 2.456 4.718 928 1HG GLU 122 2HG GLU 122 -7.170 0.458 4.418 929 2HG GLU 122 3HG GLU 122 -7.652 1.049 6.010 930 H ALA 123 H ALA 123 -5.472 5.509 5.398 931 HA ALA 123 HA ALA 123 -4.979 5.580 8.290 932 1HB ALA 123 1HB ALA 123 -3.564 3.672 7.590 933 2HB ALA 123 2HB ALA 123 -2.792 4.694 6.359 934 3HB ALA 123 3HB ALA 123 -2.573 5.051 8.083 935 H SER 124 H SER 124 -3.006 7.178 8.642 936 HA SER 124 HA SER 124 -2.900 9.378 6.686 937 1HB SER 124 2HB SER 124 -3.922 9.729 9.544 938 2HB SER 124 3HB SER 124 -3.573 11.037 8.394 939 HG SER 124 HG SER 124 -5.804 10.485 8.416 940 H VAL 125 H VAL 125 -1.222 10.966 7.438 941 HA VAL 125 HA VAL 125 1.209 10.051 7.933 942 HB VAL 125 HB VAL 125 0.229 12.664 9.188 943 1HG1 VAL 125 1HG1 VAL 125 2.561 13.398 8.589 944 2HG1 VAL 125 2HG1 VAL 125 2.432 12.222 9.889 945 3HG1 VAL 125 3HG1 VAL 125 2.942 11.681 8.284 946 1HG2 VAL 125 1HG2 VAL 125 -0.538 12.717 6.893 947 2HG2 VAL 125 2HG2 VAL 125 0.969 13.624 6.928 948 3HG2 VAL 125 3HG2 VAL 125 0.958 11.955 6.319 949 H SER 126 H SER 126 -1.036 10.719 10.688 950 HA SER 126 HA SER 126 0.717 10.350 12.805 951 1HB SER 126 2HB SER 126 -2.114 9.239 12.625 952 2HB SER 126 3HB SER 126 -1.246 9.771 14.080 953 HG SER 126 HG SER 126 -2.648 11.417 13.258 954 H ASP 127 H ASP 127 -0.761 7.799 10.759 955 HA ASP 127 HA ASP 127 0.072 5.534 12.343 956 1HB ASP 127 2HB ASP 127 -1.677 5.245 10.699 957 2HB ASP 127 3HB ASP 127 -0.665 5.930 9.409 958 H LEU 128 H LEU 128 1.438 7.372 9.651 959 HA LEU 128 HA LEU 128 3.695 5.653 9.147 960 1HB LEU 128 2HB LEU 128 3.289 8.608 8.540 961 2HB LEU 128 3HB LEU 128 4.543 7.587 7.877 962 HG LEU 128 HG LEU 128 1.542 7.274 7.406 963 1HD1 LEU 128 1HD1 LEU 128 3.879 8.049 5.621 964 2HD1 LEU 128 2HD1 LEU 128 2.185 7.885 5.094 965 3HD1 LEU 128 3HD1 LEU 128 2.644 9.163 6.239 966 1HD2 LEU 128 1HD2 LEU 128 3.880 5.618 6.347 967 2HD2 LEU 128 2HD2 LEU 128 2.560 5.025 7.387 968 3HD2 LEU 128 3HD2 LEU 128 2.210 5.536 5.745 969 H LYS 129 H LYS 129 3.256 8.643 11.004 970 HA LYS 129 HA LYS 129 5.937 8.763 12.026 971 1HB LYS 129 2HB LYS 129 3.303 9.898 13.025 972 2HB LYS 129 3HB LYS 129 4.862 10.247 13.777 973 1HG LYS 129 2HG LYS 129 5.651 10.806 11.328 974 2HG LYS 129 3HG LYS 129 3.955 10.975 10.952 975 1HD LYS 129 2HD LYS 129 5.475 12.502 13.138 976 2HD LYS 129 3HD LYS 129 5.321 13.058 11.471 977 1HE LYS 129 2HE LYS 129 3.784 14.190 13.055 978 2HE LYS 129 3HE LYS 129 3.028 13.499 11.627 979 1HZ LYS 129 1HZ LYS 129 3.078 12.209 14.285 980 2HZ LYS 129 2HZ LYS 129 1.787 13.017 13.651 981 3HZ LYS 129 3HZ LYS 129 2.330 11.636 12.942 982 H GLU 130 H GLU 130 2.942 7.385 13.532 983 HA GLU 130 HA GLU 130 4.104 6.310 15.850 984 1HB GLU 130 2HB GLU 130 1.857 5.348 14.043 985 2HB GLU 130 3HB GLU 130 2.268 4.514 15.535 986 1HG GLU 130 2HG GLU 130 1.846 7.481 15.768 987 2HG GLU 130 3HG GLU 130 0.431 6.482 15.411 988 H ALA 131 H ALA 131 3.913 4.856 12.571 989 HA ALA 131 HA ALA 131 5.111 2.378 13.236 990 1HB ALA 131 1HB ALA 131 5.550 2.195 10.813 991 2HB ALA 131 2HB ALA 131 3.895 2.752 11.142 992 3HB ALA 131 3HB ALA 131 5.128 3.900 10.589 993 H VAL 132 H VAL 132 6.629 5.361 11.821 994 HA VAL 132 HA VAL 132 9.244 4.173 11.820 995 HB VAL 132 HB VAL 132 8.281 7.025 11.432 996 1HG1 VAL 132 1HG1 VAL 132 10.580 7.392 10.462 997 2HG1 VAL 132 2HG1 VAL 132 10.596 7.118 12.205 998 3HG1 VAL 132 3HG1 VAL 132 11.053 5.802 11.099 999 1HG2 VAL 132 1HG2 VAL 132 8.913 6.445 9.048 1000 2HG2 VAL 132 2HG2 VAL 132 9.229 4.789 9.562 1001 3HG2 VAL 132 3HG2 VAL 132 7.587 5.446 9.657 1002 H ASP 133 H ASP 133 7.434 6.077 14.232 1003 HA ASP 133 HA ASP 133 9.557 6.676 15.910 1004 1HB ASP 133 2HB ASP 133 6.584 6.321 16.230 1005 2HB ASP 133 3HB ASP 133 7.560 6.241 17.682 1006 H LYS 134 H LYS 134 7.610 3.666 15.606 1007 HA LYS 134 HA LYS 134 9.047 2.280 17.695 1008 1HB LYS 134 2HB LYS 134 7.401 1.188 15.383 1009 2HB LYS 134 3HB LYS 134 8.151 0.221 16.657 1010 1HG LYS 134 2HG LYS 134 6.895 1.621 18.372 1011 2HG LYS 134 3HG LYS 134 6.070 2.416 17.032 1012 1HD LYS 134 2HD LYS 134 4.621 0.738 17.897 1013 2HD LYS 134 3HD LYS 134 5.162 0.208 16.296 1014 1HE LYS 134 2HE LYS 134 6.769 -1.374 17.330 1015 2HE LYS 134 3HE LYS 134 6.415 -0.726 18.940 1016 1HZ LYS 134 1HZ LYS 134 5.289 -2.785 18.524 1017 2HZ LYS 134 2HZ LYS 134 4.190 -1.582 18.728 1018 3HZ LYS 134 3HZ LYS 134 4.504 -2.164 17.220 1019 H LEU 135 H LEU 135 9.946 2.970 14.360 1020 HA LEU 135 HA LEU 135 12.131 0.965 14.391 1021 1HB LEU 135 2HB LEU 135 11.441 3.235 12.494 1022 2HB LEU 135 3HB LEU 135 12.950 2.346 12.421 1023 HG LEU 135 HG LEU 135 11.304 1.596 10.793 1024 1HD1 LEU 135 1HD1 LEU 135 11.680 -0.743 10.979 1025 2HD1 LEU 135 2HD1 LEU 135 13.119 0.108 11.552 1026 3HD1 LEU 135 3HD1 LEU 135 11.999 -0.630 12.723 1027 1HD2 LEU 135 1HD2 LEU 135 9.307 1.902 12.190 1028 2HD2 LEU 135 2HD2 LEU 135 9.346 0.352 11.384 1029 3HD2 LEU 135 3HD2 LEU 135 9.719 0.432 13.112 1030 H GLY 136 H GLY 136 11.576 4.358 15.197 1031 1HA GLY 136 2HA GLY 136 12.777 5.566 16.784 1032 2HA GLY 136 3HA GLY 136 14.146 4.453 16.663 1033 H TYR 137 H TYR 137 12.285 6.416 14.285 1034 HA TYR 137 HA TYR 137 14.609 8.147 13.767 1035 1HB TYR 137 2HB TYR 137 13.061 6.835 11.500 1036 2HB TYR 137 3HB TYR 137 14.417 7.939 11.348 1037 HD1 TYR 137 HD1 TYR 137 13.492 4.531 11.249 1038 HD2 TYR 137 HD2 TYR 137 16.659 7.133 12.590 1039 HE1 TYR 137 HE1 TYR 137 15.046 2.596 11.388 1040 HE2 TYR 137 HE2 TYR 137 18.185 5.209 12.713 1041 HH TYR 137 HH TYR 137 18.284 2.876 12.813 1042 H LYS 138 H LYS 138 13.451 9.884 11.894 1043 HA LYS 138 HA LYS 138 10.701 10.374 12.858 1044 1HB LYS 138 2HB LYS 138 11.066 12.621 13.450 1045 2HB LYS 138 3HB LYS 138 12.174 11.579 14.358 1046 1HG LYS 138 2HG LYS 138 13.797 12.089 12.351 1047 2HG LYS 138 3HG LYS 138 12.742 13.468 12.055 1048 1HD LYS 138 2HD LYS 138 13.546 13.238 14.896 1049 2HD LYS 138 3HD LYS 138 14.928 13.167 13.818 1050 1HE LYS 138 2HE LYS 138 13.819 15.347 12.724 1051 2HE LYS 138 3HE LYS 138 12.933 15.422 14.255 1052 1HZ LYS 138 1HZ LYS 138 14.940 16.709 14.342 1053 2HZ LYS 138 2HZ LYS 138 15.208 15.396 15.312 1054 3HZ LYS 138 3HZ LYS 138 15.845 15.497 13.787 1055 H LEU 139 H LEU 139 9.412 10.839 11.185 1056 HA LEU 139 HA LEU 139 10.556 11.314 8.501 1057 1HB LEU 139 2HB LEU 139 7.706 10.981 9.482 1058 2HB LEU 139 3HB LEU 139 8.182 11.255 7.804 1059 HG LEU 139 HG LEU 139 8.898 8.824 9.487 1060 1HD1 LEU 139 1HD1 LEU 139 6.558 8.947 8.750 1061 2HD1 LEU 139 2HD1 LEU 139 7.082 9.266 7.079 1062 3HD1 LEU 139 3HD1 LEU 139 7.406 7.691 7.827 1063 1HD2 LEU 139 1HD2 LEU 139 9.651 9.567 6.618 1064 2HD2 LEU 139 2HD2 LEU 139 10.759 9.183 7.956 1065 3HD2 LEU 139 3HD2 LEU 139 9.746 7.918 7.265 1066 H LYS 140 H LYS 140 9.965 13.109 7.258 1067 HA LYS 140 HA LYS 140 8.667 15.447 8.623 1068 1HB LYS 140 2HB LYS 140 11.195 15.304 6.950 1069 2HB LYS 140 3HB LYS 140 10.246 16.796 7.062 1070 1HG LYS 140 2HG LYS 140 10.561 16.891 9.455 1071 2HG LYS 140 3HG LYS 140 11.380 15.318 9.474 1072 1HD LYS 140 2HD LYS 140 13.284 16.071 8.366 1073 2HD LYS 140 3HD LYS 140 12.490 17.440 7.622 1074 1HE LYS 140 2HE LYS 140 13.025 17.258 10.624 1075 2HE LYS 140 3HE LYS 140 14.139 17.999 9.458 1076 1HZ LYS 140 1HZ LYS 140 12.425 19.534 8.843 1077 2HZ LYS 140 2HZ LYS 140 11.376 18.887 9.933 1078 3HZ LYS 140 3HZ LYS 140 12.742 19.644 10.453 1079 H LEU 141 H LEU 141 7.300 16.641 7.225 1080 HA LEU 141 HA LEU 141 6.343 15.201 4.844 1081 1HB LEU 141 2HB LEU 141 5.461 17.800 6.199 1082 2HB LEU 141 3HB LEU 141 4.715 17.064 4.786 1083 HG LEU 141 HG LEU 141 4.430 14.953 6.221 1084 1HD1 LEU 141 1HD1 LEU 141 4.886 17.012 8.426 1085 2HD1 LEU 141 2HD1 LEU 141 4.046 15.470 8.676 1086 3HD1 LEU 141 3HD1 LEU 141 5.741 15.465 8.218 1087 1HD2 LEU 141 1HD2 LEU 141 2.291 15.827 7.157 1088 2HD2 LEU 141 2HD2 LEU 141 2.828 17.473 6.746 1089 3HD2 LEU 141 3HD2 LEU 141 2.565 16.261 5.470 1090 H LYS 142 H LYS 142 7.061 15.672 2.741 1091 HA LYS 142 HA LYS 142 8.674 18.134 2.321 1092 1HB LYS 142 2HB LYS 142 7.856 15.877 0.475 1093 2HB LYS 142 3HB LYS 142 8.809 17.296 0.000 1094 1HG LYS 142 2HG LYS 142 10.465 16.733 1.827 1095 2HG LYS 142 3HG LYS 142 9.618 15.201 2.067 1096 1HD LYS 142 2HD LYS 142 10.880 16.154 -0.549 1097 2HD LYS 142 3HD LYS 142 11.647 15.061 0.629 1098 1HE LYS 142 2HE LYS 142 9.740 13.461 0.296 1099 2HE LYS 142 3HE LYS 142 9.108 14.559 -0.953 1100 1HZ LYS 142 1HZ LYS 142 11.519 12.874 -1.127 1101 2HZ LYS 142 2HZ LYS 142 10.214 12.981 -2.115 1102 3HZ LYS 142 3HZ LYS 142 11.278 14.193 -2.114 1103 H GLY 143 H GLY 143 6.756 19.327 3.155 1104 1HA GLY 143 2HA GLY 143 5.298 21.042 2.571 1105 2HA GLY 143 3HA GLY 143 5.353 20.541 0.876 1106 H GLU 144 H GLU 144 4.362 18.187 0.607 1107 HA GLU 144 HA GLU 144 2.405 16.974 0.470 1108 1HB GLU 144 2HB GLU 144 2.807 17.314 3.454 1109 2HB GLU 144 3HB GLU 144 1.696 16.139 2.768 1110 1HG GLU 144 2HG GLU 144 4.606 16.084 1.871 1111 2HG GLU 144 3HG GLU 144 4.109 15.355 3.406 1112 H GLN 145 H GLN 145 1.892 19.766 0.153 1113 HA GLN 145 HA GLN 145 -0.910 19.962 0.343 1114 1HB GLN 145 2HB GLN 145 0.463 20.717 2.843 1115 2HB GLN 145 3HB GLN 145 -0.318 22.122 2.115 1116 1HG GLN 145 2HG GLN 145 -2.458 20.895 1.956 1117 2HG GLN 145 3HG GLN 145 -1.708 19.490 2.723 1118 1HE2 GLN 145 1HE2 GLN 145 -2.672 22.922 3.252 1119 2HE2 GLN 145 2HE2 GLN 145 -2.721 22.761 4.995 1120 H ASP 146 H ASP 146 2.030 21.926 0.759 1121 HA ASP 146 HA ASP 146 3.098 23.323 -0.588 1122 1HB ASP 146 2HB ASP 146 2.365 22.030 -2.581 1123 2HB ASP 146 3HB ASP 146 0.937 23.073 -2.707 1124 H SER 147 H SER 147 -0.267 23.839 -0.618 1125 HA SER 147 HA SER 147 0.053 26.628 0.464 1126 1HB SER 147 2HB SER 147 -2.322 26.901 0.081 1127 2HB SER 147 3HB SER 147 -1.522 26.361 -1.409 1128 HG SER 147 HG SER 147 -2.882 24.703 0.449 1129 H ILE 148 H ILE 148 1.097 25.228 2.331 1130 HA ILE 148 HA ILE 148 -0.703 24.086 4.260 1131 HB ILE 148 HB ILE 148 2.000 25.396 4.638 1132 1HG1 ILE 148 2HG1 ILE 148 1.191 22.449 4.650 1133 2HG1 ILE 148 3HG1 ILE 148 1.817 23.273 3.217 1134 1HG2 ILE 148 1HG2 ILE 148 0.729 25.462 6.773 1135 2HG2 ILE 148 2HG2 ILE 148 0.317 23.746 6.589 1136 3HG2 ILE 148 3HG2 ILE 148 1.994 24.254 6.867 1137 1HD1 ILE 148 1HD1 ILE 148 3.337 22.862 5.818 1138 2HD1 ILE 148 2HD1 ILE 148 3.626 22.099 4.255 1139 3HD1 ILE 148 3HD1 ILE 148 3.904 23.839 4.442 1140 H GLU 149 H GLU 149 0.876 27.319 4.485 1141 HA GLU 149 HA GLU 149 -1.513 28.808 4.811 1142 1HB GLU 149 2HB GLU 149 -1.216 27.638 7.146 1143 2HB GLU 149 3HB GLU 149 0.224 28.646 7.319 1144 1HG GLU 149 2HG GLU 149 -1.311 30.678 6.991 1145 2HG GLU 149 3HG GLU 149 -2.673 29.548 6.984 1146 H GLY 150 H GLY 150 -0.715 31.198 5.180 1147 1HA GLY 150 2HA GLY 150 2.104 31.744 5.172 1148 2HA GLY 150 3HA GLY 150 1.464 31.817 3.522 1149 H ARG 151 H ARG 151 0.326 32.806 6.752 1150 HA ARG 151 HA ARG 151 0.139 34.853 7.684 1151 1HB ARG 151 2HB ARG 151 1.461 35.981 5.906 1152 2HB ARG 151 3HB ARG 151 -0.012 36.138 4.933 1153 1HG ARG 151 2HG ARG 151 0.729 38.198 6.041 1154 2HG ARG 151 3HG ARG 151 -0.955 37.754 6.291 1155 1HD ARG 151 2HD ARG 151 1.215 37.157 8.346 1156 2HD ARG 151 3HD ARG 151 0.298 38.687 8.311 1157 HE ARG 151 HE ARG 151 -1.555 36.573 8.115 1158 1HH1 ARG 151 2HH2 ARG 151 0.520 37.785 10.682 1159 2HH1 ARG 151 1HH2 ARG 151 -0.226 36.789 11.905 1160 1HH2 ARG 151 2HH1 ARG 151 -2.326 35.244 9.430 1161 2HH2 ARG 151 1HH1 ARG 151 -2.053 35.265 11.176 Start of MODEL 24 1 1H MET 1 H1 MET 1 -0.806 -27.439 8.880 2 2H MET 1 H2 MET 1 0.521 -28.271 8.337 3 3H MET 1 H3 MET 1 0.623 -26.654 8.678 4 HA MET 1 HA MET 1 0.496 -26.906 6.319 5 1HB MET 1 2HB MET 1 -1.969 -28.518 7.079 6 2HB MET 1 3HB MET 1 -1.775 -27.808 5.474 7 1HG MET 1 2HG MET 1 0.249 -29.030 5.054 8 2HG MET 1 3HG MET 1 0.272 -29.717 6.681 9 1HE MET 1 1HE MET 1 -1.213 -31.668 7.506 10 2HE MET 1 2HE MET 1 -2.699 -30.725 7.215 11 3HE MET 1 3HE MET 1 -2.548 -32.371 6.569 12 H LEU 2 H LEU 2 0.323 -24.696 6.094 13 HA LEU 2 HA LEU 2 -2.050 -23.331 5.884 14 1HB LEU 2 2HB LEU 2 -1.387 -23.569 8.656 15 2HB LEU 2 3HB LEU 2 -0.705 -22.034 8.201 16 HG LEU 2 HG LEU 2 -3.266 -21.917 7.038 17 1HD1 LEU 2 1HD1 LEU 2 -3.957 -23.985 8.213 18 2HD1 LEU 2 2HD1 LEU 2 -3.459 -23.277 9.765 19 3HD1 LEU 2 3HD1 LEU 2 -4.809 -22.576 8.856 20 1HD2 LEU 2 1HD2 LEU 2 -2.376 -20.935 9.772 21 2HD2 LEU 2 2HD2 LEU 2 -2.156 -20.092 8.221 22 3HD2 LEU 2 3HD2 LEU 2 -3.786 -20.361 8.857 23 H SER 3 H SER 3 -1.064 -20.667 6.177 24 HA SER 3 HA SER 3 1.737 -20.507 5.765 25 1HB SER 3 2HB SER 3 1.118 -21.205 3.446 26 2HB SER 3 3HB SER 3 0.034 -19.813 3.332 27 HG SER 3 HG SER 3 1.760 -18.685 2.842 28 H GLU 4 H GLU 4 2.233 -18.101 5.223 29 HA GLU 4 HA GLU 4 0.582 -16.465 7.121 30 1HB GLU 4 2HB GLU 4 3.565 -16.532 6.550 31 2HB GLU 4 3HB GLU 4 2.772 -15.159 7.330 32 1HG GLU 4 2HG GLU 4 1.892 -16.603 9.111 33 2HG GLU 4 3HG GLU 4 2.659 -18.020 8.369 34 H GLN 5 H GLN 5 -0.790 -16.109 5.244 35 HA GLN 5 HA GLN 5 0.205 -14.500 3.055 36 1HB GLN 5 2HB GLN 5 -2.708 -14.813 3.831 37 2HB GLN 5 3HB GLN 5 -2.008 -14.526 2.231 38 1HG GLN 5 2HG GLN 5 -2.019 -17.088 3.869 39 2HG GLN 5 3HG GLN 5 -2.707 -16.790 2.281 40 1HE2 GLN 5 1HE2 GLN 5 -1.339 -17.026 0.384 41 2HE2 GLN 5 2HE2 GLN 5 0.382 -17.491 0.604 42 H LYS 6 H LYS 6 -0.082 -12.277 2.727 43 HA LYS 6 HA LYS 6 -0.521 -10.668 5.198 44 1HB LYS 6 2HB LYS 6 0.374 -8.817 3.970 45 2HB LYS 6 3HB LYS 6 1.449 -10.207 3.768 46 1HG LYS 6 2HG LYS 6 -0.305 -10.438 1.587 47 2HG LYS 6 3HG LYS 6 -0.206 -8.702 1.763 48 1HD LYS 6 2HD LYS 6 2.076 -10.695 1.562 49 2HD LYS 6 3HD LYS 6 1.375 -9.877 0.196 50 1HE LYS 6 2HE LYS 6 1.895 -7.641 1.309 51 2HE LYS 6 3HE LYS 6 2.875 -8.549 2.484 52 1HZ LYS 6 1HZ LYS 6 3.291 -8.527 -0.432 53 2HZ LYS 6 2HZ LYS 6 4.141 -7.610 0.632 54 3HZ LYS 6 3HZ LYS 6 4.275 -9.247 0.673 55 H GLU 7 H GLU 7 -2.234 -9.274 5.391 56 HA GLU 7 HA GLU 7 -4.312 -9.155 3.301 57 1HB GLU 7 2HB GLU 7 -4.343 -7.744 5.985 58 2HB GLU 7 3HB GLU 7 -5.685 -8.305 4.982 59 1HG GLU 7 2HG GLU 7 -5.717 -9.879 6.655 60 2HG GLU 7 3HG GLU 7 -4.665 -10.719 5.521 61 H ILE 8 H ILE 8 -4.552 -7.298 2.070 62 HA ILE 8 HA ILE 8 -3.527 -4.759 3.267 63 HB ILE 8 HB ILE 8 -2.079 -5.279 1.352 64 1HG1 ILE 8 2HG1 ILE 8 -3.990 -2.973 0.766 65 2HG1 ILE 8 3HG1 ILE 8 -2.682 -2.922 1.958 66 1HG2 ILE 8 1HG2 ILE 8 -4.498 -4.966 -0.478 67 2HG2 ILE 8 2HG2 ILE 8 -2.858 -5.498 -0.895 68 3HG2 ILE 8 3HG2 ILE 8 -3.919 -6.544 0.049 69 1HD1 ILE 8 1HD1 ILE 8 -1.025 -3.330 0.163 70 2HD1 ILE 8 2HD1 ILE 8 -2.325 -3.346 -1.049 71 3HD1 ILE 8 3HD1 ILE 8 -2.003 -1.875 -0.135 72 H ALA 9 H ALA 9 -5.106 -3.224 3.465 73 HA ALA 9 HA ALA 9 -7.773 -3.740 2.229 74 1HB ALA 9 1HB ALA 9 -7.841 -4.194 4.647 75 2HB ALA 9 2HB ALA 9 -7.076 -2.625 4.985 76 3HB ALA 9 3HB ALA 9 -8.702 -2.682 4.285 77 H MET 10 H MET 10 -8.415 -2.091 0.918 78 HA MET 10 HA MET 10 -7.624 0.689 1.505 79 1HB MET 10 2HB MET 10 -6.656 -0.737 -0.987 80 2HB MET 10 3HB MET 10 -6.767 1.019 -0.867 81 1HG MET 10 2HG MET 10 -5.260 0.891 1.200 82 2HG MET 10 3HG MET 10 -4.974 -0.796 0.769 83 1HE MET 10 1HE MET 10 -3.198 -0.496 -2.684 84 2HE MET 10 2HE MET 10 -4.084 -1.554 -1.566 85 3HE MET 10 3HE MET 10 -4.962 -0.365 -2.561 86 H GLN 11 H GLN 11 -8.661 2.235 -0.055 87 HA GLN 11 HA GLN 11 -11.307 1.319 -1.056 88 1HB GLN 11 2HB GLN 11 -9.929 3.967 -0.599 89 2HB GLN 11 3HB GLN 11 -11.414 3.845 -1.582 90 1HG GLN 11 2HG GLN 11 -12.559 2.799 0.389 91 2HG GLN 11 3HG GLN 11 -11.128 3.132 1.359 92 1HE2 GLN 11 1HE2 GLN 11 -10.690 5.765 -0.228 93 2HE2 GLN 11 2HE2 GLN 11 -11.979 6.820 0.318 94 H VAL 12 H VAL 12 -11.850 1.356 -3.280 95 HA VAL 12 HA VAL 12 -9.818 2.217 -5.226 96 HB VAL 12 HB VAL 12 -9.622 -0.212 -4.797 97 1HG1 VAL 12 1HG1 VAL 12 -12.076 -0.663 -4.229 98 2HG1 VAL 12 2HG1 VAL 12 -12.420 -0.489 -5.967 99 3HG1 VAL 12 3HG1 VAL 12 -11.360 -1.784 -5.400 100 1HG2 VAL 12 1HG2 VAL 12 -10.767 0.557 -7.484 101 2HG2 VAL 12 2HG2 VAL 12 -9.064 0.650 -6.964 102 3HG2 VAL 12 3HG2 VAL 12 -9.861 -0.932 -7.142 103 H SER 13 H SER 13 -10.691 3.254 -6.970 104 HA SER 13 HA SER 13 -13.513 4.037 -6.860 105 1HB SER 13 2HB SER 13 -11.321 4.736 -8.842 106 2HB SER 13 3HB SER 13 -12.882 5.558 -8.635 107 HG SER 13 HG SER 13 -11.102 6.611 -7.531 108 H GLY 14 H GLY 14 -14.710 4.134 -9.001 109 1HA GLY 14 2HA GLY 14 -15.535 3.216 -10.936 110 2HA GLY 14 3HA GLY 14 -14.124 2.172 -11.079 111 H MET 15 H MET 15 -15.082 1.703 -8.001 112 HA MET 15 HA MET 15 -16.337 -0.841 -8.303 113 1HB MET 15 2HB MET 15 -15.386 0.940 -6.173 114 2HB MET 15 3HB MET 15 -16.910 0.238 -5.694 115 1HG MET 15 2HG MET 15 -14.890 -1.668 -6.827 116 2HG MET 15 3HG MET 15 -14.538 -0.909 -5.278 117 1HE MET 15 1HE MET 15 -17.351 -2.936 -7.138 118 2HE MET 15 2HE MET 15 -18.362 -3.397 -5.746 119 3HE MET 15 3HE MET 15 -18.271 -1.692 -6.242 120 H THR 16 H THR 16 -17.959 -0.350 -9.863 121 HA THR 16 HA THR 16 -20.161 1.371 -9.216 122 HB THR 16 HB THR 16 -20.029 -0.796 -11.344 123 HG1 THR 16 1HG THR 16 -18.207 0.733 -11.355 124 1HG2 THR 16 1HG2 THR 16 -22.268 0.168 -11.200 125 2HG2 THR 16 2HG2 THR 16 -21.587 1.811 -11.186 126 3HG2 THR 16 3HG2 THR 16 -21.444 0.792 -12.632 127 H CYS 17 H CYS 17 -19.443 -1.803 -8.184 128 HA CYS 17 HA CYS 17 -20.457 -3.001 -6.548 129 1HB CYS 17 2HB CYS 17 -22.823 -1.083 -6.597 130 2HB CYS 17 3HB CYS 17 -22.470 -2.317 -5.404 131 HG CYS 17 HG CYS 17 -20.164 -1.366 -4.638 132 H ALA 18 H ALA 18 -21.337 -2.864 -9.647 133 HA ALA 18 HA ALA 18 -22.802 -5.438 -9.410 134 1HB ALA 18 1HB ALA 18 -24.359 -3.741 -10.301 135 2HB ALA 18 2HB ALA 18 -23.163 -3.261 -11.524 136 3HB ALA 18 3HB ALA 18 -23.880 -4.887 -11.571 137 H ALA 19 H ALA 19 -21.348 -6.926 -10.036 138 HA ALA 19 HA ALA 19 -19.786 -8.065 -11.116 139 1HB ALA 19 1HB ALA 19 -21.151 -7.445 -13.064 140 2HB ALA 19 2HB ALA 19 -20.095 -6.039 -13.352 141 3HB ALA 19 3HB ALA 19 -19.440 -7.683 -13.471 142 H CYS 20 H CYS 20 -18.932 -4.649 -10.742 143 HA CYS 20 HA CYS 20 -16.337 -4.691 -11.849 144 1HB CYS 20 2HB CYS 20 -17.642 -3.019 -9.648 145 2HB CYS 20 3HB CYS 20 -16.008 -2.693 -10.254 146 HG CYS 20 HG CYS 20 -18.691 -3.031 -12.148 147 H ALA 21 H ALA 21 -17.346 -4.851 -8.469 148 HA ALA 21 HA ALA 21 -15.021 -5.669 -7.160 149 1HB ALA 21 1HB ALA 21 -16.824 -5.283 -5.713 150 2HB ALA 21 2HB ALA 21 -18.010 -6.051 -6.792 151 3HB ALA 21 3HB ALA 21 -16.946 -7.052 -5.820 152 H ALA 22 H ALA 22 -17.539 -7.793 -8.590 153 HA ALA 22 HA ALA 22 -16.217 -10.219 -7.951 154 1HB ALA 22 1HB ALA 22 -17.723 -11.258 -9.564 155 2HB ALA 22 2HB ALA 22 -18.599 -10.048 -8.607 156 3HB ALA 22 3HB ALA 22 -18.108 -9.678 -10.277 157 H ARG 23 H ARG 23 -15.874 -8.094 -10.802 158 HA ARG 23 HA ARG 23 -14.249 -9.919 -12.284 159 1HB ARG 23 2HB ARG 23 -15.089 -7.036 -12.489 160 2HB ARG 23 3HB ARG 23 -13.536 -7.408 -13.208 161 1HG ARG 23 2HG ARG 23 -16.133 -8.864 -13.856 162 2HG ARG 23 3HG ARG 23 -15.342 -7.603 -14.818 163 1HD ARG 23 2HD ARG 23 -13.249 -9.326 -14.426 164 2HD ARG 23 3HD ARG 23 -14.579 -10.490 -14.462 165 HE ARG 23 HE ARG 23 -15.089 -8.857 -16.632 166 1HH1 ARG 23 2HH2 ARG 23 -12.338 -10.806 -15.635 167 2HH1 ARG 23 1HH2 ARG 23 -11.682 -11.003 -17.235 168 1HH2 ARG 23 2HH1 ARG 23 -14.239 -9.058 -18.772 169 2HH2 ARG 23 1HH1 ARG 23 -12.814 -9.994 -19.067 170 H ILE 24 H ILE 24 -13.501 -7.234 -9.962 171 HA ILE 24 HA ILE 24 -10.673 -7.508 -10.362 172 HB ILE 24 HB ILE 24 -12.285 -6.386 -8.054 173 1HG1 ILE 24 2HG1 ILE 24 -10.708 -4.959 -10.270 174 2HG1 ILE 24 3HG1 ILE 24 -12.427 -5.297 -10.437 175 1HG2 ILE 24 1HG2 ILE 24 -10.071 -7.051 -7.311 176 2HG2 ILE 24 2HG2 ILE 24 -9.342 -6.108 -8.638 177 3HG2 ILE 24 3HG2 ILE 24 -10.247 -5.298 -7.336 178 1HD1 ILE 24 1HD1 ILE 24 -12.182 -3.054 -9.709 179 2HD1 ILE 24 2HD1 ILE 24 -12.901 -3.983 -8.385 180 3HD1 ILE 24 3HD1 ILE 24 -11.173 -3.510 -8.335 181 H GLU 25 H GLU 25 -12.955 -8.876 -7.891 182 HA GLU 25 HA GLU 25 -11.037 -10.325 -6.460 183 1HB GLU 25 2HB GLU 25 -13.970 -10.922 -7.023 184 2HB GLU 25 3HB GLU 25 -12.984 -11.833 -5.869 185 1HG GLU 25 2HG GLU 25 -12.526 -9.808 -4.567 186 2HG GLU 25 3HG GLU 25 -13.466 -8.827 -5.700 187 H LYS 26 H LYS 26 -13.010 -11.462 -9.290 188 HA LYS 26 HA LYS 26 -11.782 -13.992 -9.311 189 1HB LYS 26 2HB LYS 26 -13.967 -13.227 -10.499 190 2HB LYS 26 3HB LYS 26 -12.887 -12.783 -11.840 191 1HG LYS 26 2HG LYS 26 -11.850 -15.180 -11.284 192 2HG LYS 26 3HG LYS 26 -13.420 -15.495 -10.563 193 1HD LYS 26 2HD LYS 26 -12.914 -14.657 -13.465 194 2HD LYS 26 3HD LYS 26 -13.078 -16.325 -12.893 195 1HE LYS 26 2HE LYS 26 -15.392 -15.722 -12.008 196 2HE LYS 26 3HE LYS 26 -15.239 -14.171 -12.850 197 1HZ LYS 26 1HZ LYS 26 -16.408 -15.795 -14.169 198 2HZ LYS 26 2HZ LYS 26 -14.986 -15.437 -14.912 199 3HZ LYS 26 3HZ LYS 26 -15.158 -16.853 -14.091 200 H GLY 27 H GLY 27 -11.014 -10.999 -11.122 201 1HA GLY 27 2HA GLY 27 -8.963 -12.018 -12.786 202 2HA GLY 27 3HA GLY 27 -9.167 -10.336 -12.269 203 H LEU 28 H LEU 28 -8.854 -10.657 -9.467 204 HA LEU 28 HA LEU 28 -5.974 -10.886 -9.265 205 1HB LEU 28 2HB LEU 28 -8.217 -10.150 -7.379 206 2HB LEU 28 3HB LEU 28 -6.653 -10.581 -6.719 207 HG LEU 28 HG LEU 28 -6.945 -8.088 -7.060 208 1HD1 LEU 28 1HD1 LEU 28 -4.739 -9.215 -6.878 209 2HD1 LEU 28 2HD1 LEU 28 -4.638 -9.274 -8.644 210 3HD1 LEU 28 3HD1 LEU 28 -4.746 -7.713 -7.816 211 1HD2 LEU 28 1HD2 LEU 28 -6.807 -8.669 -10.024 212 2HD2 LEU 28 2HD2 LEU 28 -8.199 -8.055 -9.130 213 3HD2 LEU 28 3HD2 LEU 28 -6.746 -7.088 -9.211 214 H LYS 29 H LYS 29 -8.720 -12.910 -8.102 215 HA LYS 29 HA LYS 29 -7.160 -14.959 -6.900 216 1HB LYS 29 2HB LYS 29 -9.885 -14.880 -8.189 217 2HB LYS 29 3HB LYS 29 -9.217 -16.394 -7.588 218 1HG LYS 29 2HG LYS 29 -9.229 -15.752 -5.370 219 2HG LYS 29 3HG LYS 29 -9.237 -14.011 -5.736 220 1HD LYS 29 2HD LYS 29 -11.505 -13.938 -6.210 221 2HD LYS 29 3HD LYS 29 -11.567 -15.633 -6.683 222 1HE LYS 29 2HE LYS 29 -12.881 -15.379 -4.695 223 2HE LYS 29 3HE LYS 29 -11.451 -16.355 -4.336 224 1HZ LYS 29 1HZ LYS 29 -10.478 -14.395 -3.325 225 2HZ LYS 29 2HZ LYS 29 -11.838 -13.495 -3.522 226 3HZ LYS 29 3HZ LYS 29 -11.782 -14.820 -2.567 227 H ARG 30 H ARG 30 -7.443 -14.179 -10.281 228 HA ARG 30 HA ARG 30 -6.603 -16.630 -11.412 229 1HB ARG 30 2HB ARG 30 -7.354 -14.346 -12.440 230 2HB ARG 30 3HB ARG 30 -5.644 -13.922 -12.377 231 1HG ARG 30 2HG ARG 30 -5.036 -15.574 -13.943 232 2HG ARG 30 3HG ARG 30 -6.558 -16.475 -13.749 233 1HD ARG 30 2HD ARG 30 -7.855 -14.741 -14.759 234 2HD ARG 30 3HD ARG 30 -6.472 -13.613 -14.776 235 HE ARG 30 HE ARG 30 -5.700 -15.860 -16.274 236 1HH1 ARG 30 2HH2 ARG 30 -8.164 -13.363 -16.427 237 2HH1 ARG 30 1HH2 ARG 30 -8.212 -13.257 -18.163 238 1HH2 ARG 30 2HH1 ARG 30 -5.691 -15.732 -18.611 239 2HH2 ARG 30 1HH1 ARG 30 -6.766 -14.647 -19.428 240 H MET 31 H MET 31 -4.774 -14.247 -9.535 241 HA MET 31 HA MET 31 -2.152 -15.164 -10.452 242 1HB MET 31 2HB MET 31 -3.176 -13.123 -8.453 243 2HB MET 31 3HB MET 31 -1.482 -13.573 -8.464 244 1HG MET 31 2HG MET 31 -2.644 -12.949 -11.143 245 2HG MET 31 3HG MET 31 -2.526 -11.602 -10.025 246 1HE MET 31 1HE MET 31 0.621 -11.317 -12.506 247 2HE MET 31 2HE MET 31 -1.003 -11.941 -12.893 248 3HE MET 31 3HE MET 31 -0.812 -10.466 -11.897 249 HA PRO 32 HA PRO 32 -1.752 -18.448 -7.618 250 1HB PRO 32 2HB PRO 32 0.940 -18.544 -7.081 251 2HB PRO 32 3HB PRO 32 0.232 -18.960 -8.664 252 1HG PRO 32 2HG PRO 32 1.460 -16.320 -7.836 253 2HG PRO 32 3HG PRO 32 1.782 -17.259 -9.317 254 1HD PRO 32 2HD PRO 32 0.034 -15.186 -9.318 255 2HD PRO 32 3HD PRO 32 -0.318 -16.666 -10.258 256 H GLY 33 H GLY 33 -0.028 -15.441 -6.493 257 1HA GLY 33 2HA GLY 33 0.204 -16.361 -3.804 258 2HA GLY 33 3HA GLY 33 0.385 -14.696 -4.374 259 H VAL 34 H VAL 34 -2.321 -14.670 -5.600 260 HA VAL 34 HA VAL 34 -3.776 -13.557 -3.413 261 HB VAL 34 HB VAL 34 -4.693 -14.326 -6.186 262 1HG1 VAL 34 1HG1 VAL 34 -6.083 -12.836 -3.906 263 2HG1 VAL 34 2HG1 VAL 34 -6.641 -12.824 -5.588 264 3HG1 VAL 34 3HG1 VAL 34 -6.632 -14.338 -4.680 265 1HG2 VAL 34 1HG2 VAL 34 -4.040 -11.658 -4.830 266 2HG2 VAL 34 2HG2 VAL 34 -3.033 -12.457 -6.060 267 3HG2 VAL 34 3HG2 VAL 34 -4.642 -11.845 -6.478 268 H THR 35 H THR 35 -4.232 -14.637 -1.733 269 HA THR 35 HA THR 35 -5.006 -17.460 -1.937 270 HB THR 35 HB THR 35 -4.606 -15.690 0.491 271 HG1 THR 35 1HG THR 35 -2.784 -16.286 -1.167 272 1HG2 THR 35 1HG2 THR 35 -4.392 -17.941 1.632 273 2HG2 THR 35 2HG2 THR 35 -5.973 -17.749 0.877 274 3HG2 THR 35 3HG2 THR 35 -4.723 -18.729 0.085 275 H ASP 36 H ASP 36 -6.292 -14.234 -0.844 276 HA ASP 36 HA ASP 36 -8.834 -15.044 -1.893 277 1HB ASP 36 2HB ASP 36 -8.883 -16.105 0.395 278 2HB ASP 36 3HB ASP 36 -8.788 -14.483 1.095 279 H ALA 37 H ALA 37 -8.933 -13.293 -3.201 280 HA ALA 37 HA ALA 37 -8.777 -10.567 -2.207 281 1HB ALA 37 1HB ALA 37 -9.902 -11.700 -4.797 282 2HB ALA 37 2HB ALA 37 -9.601 -9.986 -4.443 283 3HB ALA 37 3HB ALA 37 -8.240 -11.121 -4.548 284 H ASN 38 H ASN 38 -10.355 -9.500 -1.188 285 HA ASN 38 HA ASN 38 -13.199 -10.398 -1.236 286 1HB ASN 38 2HB ASN 38 -11.448 -9.453 1.080 287 2HB ASN 38 3HB ASN 38 -13.210 -9.456 1.128 288 1HD2 ASN 38 1HD2 ASN 38 -10.343 -11.656 0.742 289 2HD2 ASN 38 2HD2 ASN 38 -11.253 -13.060 1.307 290 H VAL 39 H VAL 39 -14.704 -8.605 -0.986 291 HA VAL 39 HA VAL 39 -13.681 -5.853 -0.835 292 HB VAL 39 HB VAL 39 -13.506 -6.483 -3.204 293 1HG1 VAL 39 1HG1 VAL 39 -16.494 -6.517 -3.515 294 2HG1 VAL 39 2HG1 VAL 39 -15.197 -7.201 -4.533 295 3HG1 VAL 39 3HG1 VAL 39 -15.685 -8.008 -3.039 296 1HG2 VAL 39 1HG2 VAL 39 -15.677 -4.413 -2.703 297 2HG2 VAL 39 2HG2 VAL 39 -13.932 -4.130 -2.572 298 3HG2 VAL 39 3HG2 VAL 39 -14.634 -4.567 -4.137 299 H ASN 40 H ASN 40 -14.724 -5.042 0.751 300 HA ASN 40 HA ASN 40 -17.596 -5.702 1.266 301 1HB ASN 40 2HB ASN 40 -15.536 -4.002 2.721 302 2HB ASN 40 3HB ASN 40 -17.271 -3.929 3.061 303 1HD2 ASN 40 1HD2 ASN 40 -16.412 -4.470 5.247 304 2HD2 ASN 40 2HD2 ASN 40 -16.319 -6.183 5.622 305 H LEU 41 H LEU 41 -17.896 -4.998 -1.004 306 HA LEU 41 HA LEU 41 -17.741 -2.303 -1.841 307 1HB LEU 41 2HB LEU 41 -19.482 -2.839 -3.427 308 2HB LEU 41 3HB LEU 41 -18.317 -4.155 -3.301 309 HG LEU 41 HG LEU 41 -20.156 -5.058 -1.563 310 1HD1 LEU 41 1HD1 LEU 41 -21.842 -3.535 -3.593 311 2HD1 LEU 41 2HD1 LEU 41 -22.433 -4.596 -2.304 312 3HD1 LEU 41 3HD1 LEU 41 -21.689 -3.044 -1.903 313 1HD2 LEU 41 1HD2 LEU 41 -21.111 -6.375 -3.443 314 2HD2 LEU 41 2HD2 LEU 41 -20.361 -5.251 -4.597 315 3HD2 LEU 41 3HD2 LEU 41 -19.345 -6.263 -3.545 316 H ALA 42 H ALA 42 -19.861 -3.790 0.468 317 HA ALA 42 HA ALA 42 -21.880 -1.861 0.656 318 1HB ALA 42 1HB ALA 42 -21.947 -4.057 1.806 319 2HB ALA 42 2HB ALA 42 -20.623 -3.545 2.877 320 3HB ALA 42 3HB ALA 42 -22.200 -2.733 2.961 321 H THR 43 H THR 43 -18.548 -1.876 2.040 322 HA THR 43 HA THR 43 -18.966 0.915 3.001 323 HB THR 43 HB THR 43 -17.057 0.457 4.434 324 HG1 THR 43 1HG THR 43 -15.837 -0.982 3.318 325 1HG2 THR 43 1HG2 THR 43 -19.015 -1.888 4.634 326 2HG2 THR 43 2HG2 THR 43 -18.096 -1.126 5.939 327 3HG2 THR 43 3HG2 THR 43 -19.397 -0.229 5.121 328 H GLU 44 H GLU 44 -18.205 -0.409 0.177 329 HA GLU 44 HA GLU 44 -16.653 -0.202 -1.464 330 1HB GLU 44 2HB GLU 44 -16.637 2.631 -0.350 331 2HB GLU 44 3HB GLU 44 -15.837 2.163 -1.854 332 1HG GLU 44 2HG GLU 44 -17.934 1.381 -2.814 333 2HG GLU 44 3HG GLU 44 -18.810 1.812 -1.328 334 H THR 45 H THR 45 -15.437 -1.692 0.448 335 HA THR 45 HA THR 45 -12.670 -0.545 0.624 336 HB THR 45 HB THR 45 -14.153 -2.350 2.572 337 HG1 THR 45 1HG THR 45 -13.277 0.262 3.083 338 1HG2 THR 45 1HG2 THR 45 -12.107 -1.907 3.998 339 2HG2 THR 45 2HG2 THR 45 -11.869 -2.907 2.555 340 3HG2 THR 45 3HG2 THR 45 -11.336 -1.215 2.548 341 H VAL 46 H VAL 46 -11.304 -1.757 -0.641 342 HA VAL 46 HA VAL 46 -12.030 -4.573 -1.305 343 HB VAL 46 HB VAL 46 -11.602 -3.327 -3.269 344 1HG1 VAL 46 1HG1 VAL 46 -10.408 -1.359 -2.533 345 2HG1 VAL 46 2HG1 VAL 46 -9.011 -2.330 -2.004 346 3HG1 VAL 46 3HG1 VAL 46 -9.413 -2.212 -3.718 347 1HG2 VAL 46 1HG2 VAL 46 -10.568 -5.608 -3.059 348 2HG2 VAL 46 2HG2 VAL 46 -9.752 -4.541 -4.222 349 3HG2 VAL 46 3HG2 VAL 46 -9.037 -4.803 -2.623 350 H ASN 47 H ASN 47 -10.923 -6.204 -0.384 351 HA ASN 47 HA ASN 47 -8.529 -5.553 1.263 352 1HB ASN 47 2HB ASN 47 -10.898 -7.334 1.962 353 2HB ASN 47 3HB ASN 47 -9.326 -7.445 2.771 354 1HD2 ASN 47 1HD2 ASN 47 -11.306 -7.025 4.478 355 2HD2 ASN 47 2HD2 ASN 47 -11.337 -5.345 4.988 356 H VAL 48 H VAL 48 -6.838 -6.695 0.349 357 HA VAL 48 HA VAL 48 -7.531 -9.204 -1.154 358 HB VAL 48 HB VAL 48 -5.172 -7.440 -1.817 359 1HG1 VAL 48 1HG1 VAL 48 -6.674 -9.657 -3.296 360 2HG1 VAL 48 2HG1 VAL 48 -5.329 -8.724 -3.957 361 3HG1 VAL 48 3HG1 VAL 48 -5.058 -9.800 -2.580 362 1HG2 VAL 48 1HG2 VAL 48 -7.983 -7.418 -3.005 363 2HG2 VAL 48 2HG2 VAL 48 -7.132 -6.062 -2.228 364 3HG2 VAL 48 3HG2 VAL 48 -6.562 -6.685 -3.776 365 H ILE 49 H ILE 49 -6.723 -11.072 -0.328 366 HA ILE 49 HA ILE 49 -4.514 -10.808 1.620 367 HB ILE 49 HB ILE 49 -6.649 -12.945 1.411 368 1HG1 ILE 49 2HG1 ILE 49 -6.299 -10.680 3.439 369 2HG1 ILE 49 3HG1 ILE 49 -7.498 -10.680 2.139 370 1HG2 ILE 49 1HG2 ILE 49 -4.473 -12.454 3.496 371 2HG2 ILE 49 2HG2 ILE 49 -5.713 -13.723 3.567 372 3HG2 ILE 49 3HG2 ILE 49 -4.486 -13.774 2.311 373 1HD1 ILE 49 1HD1 ILE 49 -8.521 -12.741 3.055 374 2HD1 ILE 49 2HD1 ILE 49 -7.438 -12.615 4.467 375 3HD1 ILE 49 3HD1 ILE 49 -8.607 -11.332 4.130 376 H TYR 50 H TYR 50 -2.559 -11.709 0.988 377 HA TYR 50 HA TYR 50 -2.531 -13.935 -0.872 378 1HB TYR 50 2HB TYR 50 -1.337 -12.736 -2.699 379 2HB TYR 50 3HB TYR 50 -2.923 -12.013 -2.405 380 HD1 TYR 50 HD1 TYR 50 0.627 -11.333 -2.523 381 HD2 TYR 50 HD2 TYR 50 -3.217 -9.946 -1.149 382 HE1 TYR 50 HE1 TYR 50 1.549 -9.066 -2.173 383 HE2 TYR 50 HE2 TYR 50 -2.247 -7.759 -0.633 384 HH TYR 50 HH TYR 50 -0.339 -6.511 -0.561 385 H ASP 51 H ASP 51 -0.316 -14.578 -1.558 386 HA ASP 51 HA ASP 51 1.229 -14.747 0.830 387 1HB ASP 51 2HB ASP 51 0.827 -16.470 -1.147 388 2HB ASP 51 3HB ASP 51 2.220 -15.688 -1.888 389 HA PRO 52 HA PRO 52 3.932 -11.292 -0.288 390 1HB PRO 52 2HB PRO 52 5.733 -11.395 1.883 391 2HB PRO 52 3HB PRO 52 4.087 -10.818 2.093 392 1HG PRO 52 2HG PRO 52 5.156 -13.576 2.593 393 2HG PRO 52 3HG PRO 52 4.098 -12.602 3.651 394 1HD PRO 52 2HD PRO 52 3.165 -14.582 2.036 395 2HD PRO 52 3HD PRO 52 2.207 -13.104 2.328 396 H ALA 53 H ALA 53 4.461 -14.001 -1.442 397 HA ALA 53 HA ALA 53 7.358 -13.601 -2.027 398 1HB ALA 53 1HB ALA 53 7.308 -14.977 0.036 399 2HB ALA 53 2HB ALA 53 6.297 -16.175 -0.805 400 3HB ALA 53 3HB ALA 53 7.958 -15.871 -1.352 401 H GLU 54 H GLU 54 4.497 -13.889 -3.349 402 HA GLU 54 HA GLU 54 5.477 -15.452 -5.686 403 1HB GLU 54 2HB GLU 54 2.727 -15.543 -4.366 404 2HB GLU 54 3HB GLU 54 3.147 -16.260 -5.924 405 1HG GLU 54 2HG GLU 54 4.994 -17.563 -4.655 406 2HG GLU 54 3HG GLU 54 4.096 -17.138 -3.184 407 H THR 55 H THR 55 3.747 -12.523 -4.497 408 HA THR 55 HA THR 55 2.928 -11.952 -7.313 409 HB THR 55 HB THR 55 1.230 -12.475 -4.874 410 HG1 THR 55 1HG THR 55 1.877 -13.882 -6.906 411 1HG2 THR 55 1HG2 THR 55 -0.685 -11.622 -6.308 412 2HG2 THR 55 2HG2 THR 55 0.394 -10.427 -5.556 413 3HG2 THR 55 3HG2 THR 55 0.556 -10.808 -7.297 414 H GLY 56 H GLY 56 1.968 -10.213 -4.322 415 1HA GLY 56 2HA GLY 56 3.530 -8.673 -3.278 416 2HA GLY 56 3HA GLY 56 4.226 -8.296 -4.844 417 H THR 57 H THR 57 2.581 -6.861 -2.662 418 HA THR 57 HA THR 57 0.192 -5.821 -3.327 419 HB THR 57 HB THR 57 1.481 -5.150 -1.352 420 HG1 THR 57 1HG THR 57 1.106 -2.672 -2.225 421 1HG2 THR 57 1HG2 THR 57 3.211 -3.520 -1.364 422 2HG2 THR 57 2HG2 THR 57 3.690 -4.881 -2.398 423 3HG2 THR 57 3HG2 THR 57 3.134 -3.353 -3.124 424 H ALA 58 H ALA 58 3.238 -4.845 -4.911 425 HA ALA 58 HA ALA 58 2.087 -2.718 -6.431 426 1HB ALA 58 1HB ALA 58 4.558 -4.417 -7.025 427 2HB ALA 58 2HB ALA 58 4.157 -2.854 -7.769 428 3HB ALA 58 3HB ALA 58 4.519 -2.940 -6.034 429 H ALA 59 H ALA 59 2.386 -6.249 -7.054 430 HA ALA 59 HA ALA 59 1.430 -6.009 -9.804 431 1HB ALA 59 1HB ALA 59 1.254 -8.401 -9.732 432 2HB ALA 59 2HB ALA 59 2.841 -7.883 -9.114 433 3HB ALA 59 3HB ALA 59 1.572 -8.422 -7.981 434 H ILE 60 H ILE 60 0.073 -6.618 -6.543 435 HA ILE 60 HA ILE 60 -2.565 -7.283 -7.361 436 HB ILE 60 HB ILE 60 -1.873 -5.594 -4.925 437 1HG1 ILE 60 2HG1 ILE 60 -0.498 -7.625 -4.823 438 2HG1 ILE 60 3HG1 ILE 60 -1.750 -7.577 -3.602 439 1HG2 ILE 60 1HG2 ILE 60 -4.231 -7.355 -5.525 440 2HG2 ILE 60 2HG2 ILE 60 -3.844 -6.664 -3.938 441 3HG2 ILE 60 3HG2 ILE 60 -4.223 -5.596 -5.304 442 1HD1 ILE 60 1HD1 ILE 60 -1.838 -9.204 -6.166 443 2HD1 ILE 60 2HD1 ILE 60 -1.491 -9.796 -4.526 444 3HD1 ILE 60 3HD1 ILE 60 -3.100 -9.187 -4.902 445 H GLN 61 H GLN 61 -1.166 -4.081 -6.529 446 HA GLN 61 HA GLN 61 -3.496 -2.663 -7.336 447 1HB GLN 61 2HB GLN 61 -2.477 -0.743 -6.680 448 2HB GLN 61 3HB GLN 61 -1.684 -1.972 -5.702 449 1HG GLN 61 2HG GLN 61 0.149 -0.807 -6.239 450 2HG GLN 61 3HG GLN 61 0.141 -1.833 -7.665 451 1HE2 GLN 61 1HE2 GLN 61 0.009 1.449 -6.520 452 2HE2 GLN 61 2HE2 GLN 61 -0.337 2.151 -8.081 453 H GLU 62 H GLU 62 -0.539 -3.633 -9.151 454 HA GLU 62 HA GLU 62 -1.091 -2.255 -11.551 455 1HB GLU 62 2HB GLU 62 0.960 -3.692 -11.081 456 2HB GLU 62 3HB GLU 62 -0.077 -5.111 -11.304 457 1HG GLU 62 2HG GLU 62 -0.607 -3.810 -13.630 458 2HG GLU 62 3HG GLU 62 1.019 -3.219 -13.323 459 H LYS 63 H LYS 63 -2.483 -5.356 -10.215 460 HA LYS 63 HA LYS 63 -3.791 -5.978 -12.657 461 1HB LYS 63 2HB LYS 63 -3.051 -7.395 -10.464 462 2HB LYS 63 3HB LYS 63 -4.682 -6.990 -9.984 463 1HG LYS 63 2HG LYS 63 -4.848 -9.066 -10.969 464 2HG LYS 63 3HG LYS 63 -5.393 -8.007 -12.278 465 1HD LYS 63 2HD LYS 63 -2.542 -9.066 -11.925 466 2HD LYS 63 3HD LYS 63 -3.801 -9.969 -12.781 467 1HE LYS 63 2HE LYS 63 -4.026 -7.904 -14.321 468 2HE LYS 63 3HE LYS 63 -2.494 -7.334 -13.603 469 1HZ LYS 63 1HZ LYS 63 -1.400 -9.219 -14.355 470 2HZ LYS 63 2HZ LYS 63 -2.785 -9.915 -14.943 471 3HZ LYS 63 3HZ LYS 63 -2.185 -8.543 -15.624 472 H ILE 64 H ILE 64 -4.859 -4.451 -9.599 473 HA ILE 64 HA ILE 64 -7.561 -3.974 -10.301 474 HB ILE 64 HB ILE 64 -5.571 -2.343 -8.674 475 1HG1 ILE 64 2HG1 ILE 64 -7.897 -4.153 -7.860 476 2HG1 ILE 64 3HG1 ILE 64 -6.203 -4.653 -7.876 477 1HG2 ILE 64 1HG2 ILE 64 -7.343 -0.817 -9.480 478 2HG2 ILE 64 2HG2 ILE 64 -8.578 -1.957 -8.894 479 3HG2 ILE 64 3HG2 ILE 64 -7.494 -1.113 -7.762 480 1HD1 ILE 64 1HD1 ILE 64 -7.439 -2.546 -6.072 481 2HD1 ILE 64 2HD1 ILE 64 -6.753 -4.113 -5.629 482 3HD1 ILE 64 3HD1 ILE 64 -5.687 -2.828 -6.230 483 H GLU 65 H GLU 65 -4.639 -1.933 -11.056 484 HA GLU 65 HA GLU 65 -6.204 -0.093 -12.569 485 1HB GLU 65 2HB GLU 65 -3.224 -0.634 -12.746 486 2HB GLU 65 3HB GLU 65 -4.099 0.710 -13.496 487 1HG GLU 65 2HG GLU 65 -4.972 0.753 -10.802 488 2HG GLU 65 3HG GLU 65 -3.248 0.383 -10.694 489 H LYS 66 H LYS 66 -4.374 -2.944 -13.699 490 HA LYS 66 HA LYS 66 -4.918 -2.677 -16.452 491 1HB LYS 66 2HB LYS 66 -4.584 -5.170 -14.817 492 2HB LYS 66 3HB LYS 66 -4.684 -5.123 -16.582 493 1HG LYS 66 2HG LYS 66 -2.743 -3.127 -15.715 494 2HG LYS 66 3HG LYS 66 -2.466 -4.618 -14.861 495 1HD LYS 66 2HD LYS 66 -2.698 -5.626 -17.410 496 2HD LYS 66 3HD LYS 66 -2.144 -3.977 -17.768 497 1HE LYS 66 2HE LYS 66 -0.284 -4.391 -16.010 498 2HE LYS 66 3HE LYS 66 -0.844 -6.077 -15.973 499 1HZ LYS 66 1HZ LYS 66 1.023 -5.823 -17.346 500 2HZ LYS 66 2HZ LYS 66 -0.256 -6.250 -18.292 501 3HZ LYS 66 3HZ LYS 66 0.296 -4.694 -18.294 502 H LEU 67 H LEU 67 -6.968 -3.983 -13.795 503 HA LEU 67 HA LEU 67 -8.982 -5.063 -15.516 504 1HB LEU 67 2HB LEU 67 -8.626 -4.581 -12.618 505 2HB LEU 67 3HB LEU 67 -10.274 -4.661 -13.181 506 HG LEU 67 HG LEU 67 -8.670 -6.838 -14.362 507 1HD1 LEU 67 1HD1 LEU 67 -8.642 -8.110 -12.200 508 2HD1 LEU 67 2HD1 LEU 67 -7.450 -6.822 -12.398 509 3HD1 LEU 67 3HD1 LEU 67 -8.869 -6.551 -11.365 510 1HD2 LEU 67 1HD2 LEU 67 -11.152 -6.655 -14.455 511 2HD2 LEU 67 2HD2 LEU 67 -10.620 -8.135 -13.631 512 3HD2 LEU 67 3HD2 LEU 67 -11.211 -6.755 -12.682 513 H GLY 68 H GLY 68 -8.161 -1.799 -14.815 514 1HA GLY 68 2HA GLY 68 -9.045 -0.022 -16.019 515 2HA GLY 68 3HA GLY 68 -10.574 -0.874 -16.268 516 H TYR 69 H TYR 69 -8.712 -0.319 -13.274 517 HA TYR 69 HA TYR 69 -10.822 1.495 -12.192 518 1HB TYR 69 2HB TYR 69 -9.585 -0.884 -10.767 519 2HB TYR 69 3HB TYR 69 -10.717 0.262 -10.060 520 HD1 TYR 69 HD1 TYR 69 -10.331 -2.556 -12.396 521 HD2 TYR 69 HD2 TYR 69 -13.115 0.208 -10.669 522 HE1 TYR 69 HE1 TYR 69 -12.251 -3.798 -13.447 523 HE2 TYR 69 HE2 TYR 69 -14.987 -0.962 -11.781 524 HH TYR 69 HH TYR 69 -15.588 -2.658 -13.245 525 H HIS 70 H HIS 70 -9.826 2.345 -9.903 526 HA HIS 70 HA HIS 70 -6.924 2.810 -10.125 527 1HB HIS 70 2HB HIS 70 -9.027 5.015 -10.241 528 2HB HIS 70 3HB HIS 70 -7.379 5.297 -9.677 529 HD1 HIS 70 1HD HIS 70 -5.538 4.007 -11.701 530 HD2 HIS 70 2HD HIS 70 -9.130 5.991 -12.677 531 HE1 HIS 70 1HE HIS 70 -5.313 4.797 -14.118 532 H VAL 71 H VAL 71 -5.993 3.301 -8.157 533 HA VAL 71 HA VAL 71 -7.590 2.483 -5.815 534 HB VAL 71 HB VAL 71 -5.307 2.492 -4.715 535 1HG1 VAL 71 1HG1 VAL 71 -4.680 0.346 -5.739 536 2HG1 VAL 71 2HG1 VAL 71 -6.432 0.448 -5.500 537 3HG1 VAL 71 3HG1 VAL 71 -5.742 0.675 -7.122 538 1HG2 VAL 71 1HG2 VAL 71 -3.319 2.478 -6.040 539 2HG2 VAL 71 2HG2 VAL 71 -4.212 2.593 -7.561 540 3HG2 VAL 71 3HG2 VAL 71 -4.165 3.977 -6.451 541 H VAL 72 H VAL 72 -8.124 3.752 -4.073 542 HA VAL 72 HA VAL 72 -7.854 6.672 -4.499 543 HB VAL 72 HB VAL 72 -9.356 5.067 -2.419 544 1HG1 VAL 72 1HG1 VAL 72 -10.611 7.230 -2.082 545 2HG1 VAL 72 2HG1 VAL 72 -8.922 7.362 -1.585 546 3HG1 VAL 72 3HG1 VAL 72 -9.443 8.039 -3.141 547 1HG2 VAL 72 1HG2 VAL 72 -10.346 6.470 -4.922 548 2HG2 VAL 72 2HG2 VAL 72 -10.255 4.710 -4.705 549 3HG2 VAL 72 3HG2 VAL 72 -11.368 5.662 -3.718 550 H THR 73 H THR 73 -5.466 6.423 -4.277 551 HA THR 73 HA THR 73 -4.610 6.337 -1.412 552 HB THR 73 HB THR 73 -2.417 5.521 -2.454 553 HG1 THR 73 1HG THR 73 -3.117 6.099 -4.637 554 1HG2 THR 73 1HG2 THR 73 -4.886 3.751 -2.722 555 2HG2 THR 73 2HG2 THR 73 -3.198 3.218 -2.580 556 3HG2 THR 73 3HG2 THR 73 -3.985 4.054 -1.227 557 H GLU 74 H GLU 74 -3.137 7.719 -0.659 558 HA GLU 74 HA GLU 74 -2.655 10.287 -2.026 559 1HB GLU 74 2HB GLU 74 -2.708 9.234 0.772 560 2HB GLU 74 3HB GLU 74 -1.304 10.233 0.428 561 1HG GLU 74 2HG GLU 74 -2.638 12.095 -0.271 562 2HG GLU 74 3HG GLU 74 -4.131 11.146 -0.144 563 H LYS 75 H LYS 75 -1.111 9.955 -3.518 564 HA LYS 75 HA LYS 75 1.296 8.311 -3.127 565 1HB LYS 75 2HB LYS 75 1.907 9.227 -5.337 566 2HB LYS 75 3HB LYS 75 0.364 8.369 -5.333 567 1HG LYS 75 2HG LYS 75 -0.892 10.243 -5.729 568 2HG LYS 75 3HG LYS 75 0.173 11.300 -4.792 569 1HD LYS 75 2HD LYS 75 1.885 11.209 -6.559 570 2HD LYS 75 3HD LYS 75 0.766 10.279 -7.593 571 1HE LYS 75 2HE LYS 75 -0.812 12.147 -7.643 572 2HE LYS 75 3HE LYS 75 0.050 12.982 -6.337 573 1HZ LYS 75 1HZ LYS 75 0.565 13.965 -8.421 574 2HZ LYS 75 2HZ LYS 75 1.875 13.380 -7.719 575 3HZ LYS 75 3HZ LYS 75 1.228 12.562 -8.996 576 H ALA 76 H ALA 76 1.652 9.546 -1.071 577 HA ALA 76 HA ALA 76 2.453 12.420 -1.407 578 1HB ALA 76 1HB ALA 76 2.131 10.760 1.116 579 2HB ALA 76 2HB ALA 76 2.472 12.503 1.045 580 3HB ALA 76 3HB ALA 76 0.937 11.876 0.424 581 H GLU 77 H GLU 77 4.461 13.079 0.063 582 HA GLU 77 HA GLU 77 6.641 11.094 -0.189 583 1HB GLU 77 2HB GLU 77 6.937 14.001 -1.023 584 2HB GLU 77 3HB GLU 77 8.213 12.787 -0.882 585 1HG GLU 77 2HG GLU 77 7.093 11.435 -2.655 586 2HG GLU 77 3HG GLU 77 5.943 12.756 -2.903 587 H PHE 78 H PHE 78 7.756 10.888 1.596 588 HA PHE 78 HA PHE 78 7.554 12.974 3.715 589 1HB PHE 78 2HB PHE 78 7.565 9.951 3.897 590 2HB PHE 78 3HB PHE 78 8.049 10.977 5.237 591 HD1 PHE 78 1HD PHE 78 6.383 11.411 6.873 592 HD2 PHE 78 2HD PHE 78 5.150 10.822 2.772 593 HE1 PHE 78 1HE PHE 78 4.031 11.614 7.537 594 HE2 PHE 78 2HE PHE 78 2.855 11.418 3.417 595 HZ PHE 78 HZ PHE 78 2.277 11.758 5.782 596 H ASP 79 H ASP 79 9.443 13.599 4.622 597 HA ASP 79 HA ASP 79 11.929 12.966 3.090 598 1HB ASP 79 2HB ASP 79 10.881 15.321 3.161 599 2HB ASP 79 3HB ASP 79 11.367 15.378 4.856 600 H ILE 80 H ILE 80 13.841 12.280 4.338 601 HA ILE 80 HA ILE 80 13.019 11.190 7.011 602 HB ILE 80 HB ILE 80 15.036 10.079 5.086 603 1HG1 ILE 80 2HG1 ILE 80 12.221 9.004 5.265 604 2HG1 ILE 80 3HG1 ILE 80 12.690 10.183 4.024 605 1HG2 ILE 80 1HG2 ILE 80 15.088 9.358 7.520 606 2HG2 ILE 80 2HG2 ILE 80 13.405 8.836 7.368 607 3HG2 ILE 80 3HG2 ILE 80 14.687 8.012 6.464 608 1HD1 ILE 80 1HD1 ILE 80 12.883 7.899 3.238 609 2HD1 ILE 80 2HD1 ILE 80 14.390 8.840 3.150 610 3HD1 ILE 80 3HD1 ILE 80 14.185 7.613 4.409 611 H GLU 81 H GLU 81 14.471 11.589 8.844 612 HA GLU 81 HA GLU 81 17.082 12.900 8.114 613 1HB GLU 81 2HB GLU 81 15.077 14.435 8.514 614 2HB GLU 81 3HB GLU 81 15.088 13.830 10.157 615 1HG GLU 81 2HG GLU 81 17.580 14.701 10.176 616 2HG GLU 81 3HG GLU 81 17.156 15.504 8.660 617 H GLY 82 H GLY 82 16.792 10.301 8.624 618 1HA GLY 82 2HA GLY 82 17.988 9.880 11.343 619 2HA GLY 82 3HA GLY 82 16.541 8.980 10.898 620 H MET 83 H MET 83 17.147 8.196 8.209 621 HA MET 83 HA MET 83 19.127 6.228 8.444 622 1HB MET 83 2HB MET 83 18.706 5.827 6.120 623 2HB MET 83 3HB MET 83 17.162 6.414 6.747 624 1HG MET 83 2HG MET 83 19.228 7.900 5.073 625 2HG MET 83 3HG MET 83 17.617 7.409 4.601 626 1HE MET 83 1HE MET 83 19.819 10.229 5.971 627 2HE MET 83 2HE MET 83 19.141 10.247 4.341 628 3HE MET 83 3HE MET 83 18.655 11.490 5.524 629 H THR 84 H THR 84 20.809 6.176 6.594 630 HA THR 84 HA THR 84 22.163 8.378 5.688 631 HB THR 84 HB THR 84 22.850 9.134 7.836 632 HG1 THR 84 1HG THR 84 24.503 9.043 6.287 633 1HG2 THR 84 1HG2 THR 84 24.008 7.813 9.500 634 2HG2 THR 84 2HG2 THR 84 22.424 7.089 9.210 635 3HG2 THR 84 3HG2 THR 84 23.891 6.348 8.519 636 H CYS 85 H CYS 85 22.562 5.108 7.068 637 HA CYS 85 HA CYS 85 23.555 3.899 4.717 638 1HB CYS 85 2HB CYS 85 25.528 5.651 5.334 639 2HB CYS 85 3HB CYS 85 25.978 4.373 6.456 640 HG CYS 85 HG CYS 85 25.984 2.466 4.698 641 H ALA 86 H ALA 86 22.063 3.395 7.336 642 HA ALA 86 HA ALA 86 23.443 0.873 8.173 643 1HB ALA 86 1HB ALA 86 22.557 1.309 10.432 644 2HB ALA 86 2HB ALA 86 23.661 2.596 9.914 645 3HB ALA 86 3HB ALA 86 21.908 2.869 9.886 646 H ALA 87 H ALA 87 21.695 1.087 6.013 647 HA ALA 87 HA ALA 87 19.791 0.284 5.095 648 1HB ALA 87 1HB ALA 87 19.875 -1.641 7.455 649 2HB ALA 87 2HB ALA 87 19.105 -1.918 5.885 650 3HB ALA 87 3HB ALA 87 20.866 -1.776 5.986 651 H CYS 88 H CYS 88 19.355 2.518 7.237 652 HA CYS 88 HA CYS 88 17.029 1.811 8.696 653 1HB CYS 88 2HB CYS 88 18.154 4.456 7.781 654 2HB CYS 88 3HB CYS 88 16.920 4.301 9.032 655 HG CYS 88 HG CYS 88 19.108 4.840 10.250 656 H ALA 89 H ALA 89 17.660 3.522 5.637 657 HA ALA 89 HA ALA 89 14.962 4.040 4.860 658 1HB ALA 89 1HB ALA 89 17.284 3.334 3.032 659 2HB ALA 89 2HB ALA 89 15.829 4.253 2.615 660 3HB ALA 89 3HB ALA 89 17.017 4.953 3.731 661 H ASN 90 H ASN 90 16.966 1.069 4.589 662 HA ASN 90 HA ASN 90 15.112 -0.268 2.868 663 1HB ASN 90 2HB ASN 90 17.075 -1.584 4.781 664 2HB ASN 90 3HB ASN 90 16.282 -2.312 3.385 665 1HD2 ASN 90 1HD2 ASN 90 18.729 -2.806 3.022 666 2HD2 ASN 90 2HD2 ASN 90 19.576 -1.612 2.055 667 H ARG 91 H ARG 91 15.661 -0.255 6.386 668 HA ARG 91 HA ARG 91 13.558 -1.952 7.200 669 1HB ARG 91 2HB ARG 91 15.387 -0.019 8.428 670 2HB ARG 91 3HB ARG 91 13.775 0.140 9.125 671 1HG ARG 91 2HG ARG 91 13.696 -2.185 9.704 672 2HG ARG 91 3HG ARG 91 15.195 -2.533 8.819 673 1HD ARG 91 2HD ARG 91 16.549 -1.329 10.413 674 2HD ARG 91 3HD ARG 91 15.164 -0.485 11.061 675 HE ARG 91 HE ARG 91 14.746 -2.132 12.524 676 1HH1 ARG 91 2HH2 ARG 91 16.799 -3.462 10.004 677 2HH1 ARG 91 1HH2 ARG 91 17.023 -5.015 10.754 678 1HH2 ARG 91 2HH1 ARG 91 14.990 -4.179 13.567 679 2HH2 ARG 91 1HH1 ARG 91 15.951 -5.425 12.843 680 H ILE 92 H ILE 92 13.458 1.671 6.853 681 HA ILE 92 HA ILE 92 10.634 1.698 7.375 682 HB ILE 92 HB ILE 92 10.592 3.926 6.331 683 1HG1 ILE 92 2HG1 ILE 92 13.513 4.223 6.587 684 2HG1 ILE 92 3HG1 ILE 92 12.873 3.395 5.141 685 1HG2 ILE 92 1HG2 ILE 92 11.732 4.981 8.261 686 2HG2 ILE 92 2HG2 ILE 92 10.600 3.682 8.685 687 3HG2 ILE 92 3HG2 ILE 92 12.348 3.359 8.702 688 1HD1 ILE 92 1HD1 ILE 92 12.004 6.142 6.046 689 2HD1 ILE 92 2HD1 ILE 92 13.070 5.736 4.674 690 3HD1 ILE 92 3HD1 ILE 92 11.376 5.232 4.646 691 H GLU 93 H GLU 93 12.417 1.148 4.296 692 HA GLU 93 HA GLU 93 10.205 1.539 2.572 693 1HB GLU 93 2HB GLU 93 12.602 1.181 1.807 694 2HB GLU 93 3HB GLU 93 12.481 -0.502 2.307 695 1HG GLU 93 2HG GLU 93 10.431 -0.691 0.803 696 2HG GLU 93 3HG GLU 93 10.847 0.909 0.187 697 H LYS 94 H LYS 94 11.575 -1.462 3.987 698 HA LYS 94 HA LYS 94 9.467 -3.164 3.198 699 1HB LYS 94 2HB LYS 94 11.360 -3.326 5.586 700 2HB LYS 94 3HB LYS 94 10.317 -4.655 5.070 701 1HG LYS 94 2HG LYS 94 12.522 -3.392 3.366 702 2HG LYS 94 3HG LYS 94 12.634 -4.900 4.282 703 1HD LYS 94 2HD LYS 94 10.607 -5.713 2.904 704 2HD LYS 94 3HD LYS 94 10.886 -4.288 1.869 705 1HE LYS 94 2HE LYS 94 13.238 -5.048 1.491 706 2HE LYS 94 3HE LYS 94 12.909 -6.505 2.450 707 1HZ LYS 94 1HZ LYS 94 11.217 -7.085 0.821 708 2HZ LYS 94 2HZ LYS 94 11.588 -5.743 -0.068 709 3HZ LYS 94 3HZ LYS 94 12.699 -6.937 0.125 710 H ARG 95 H ARG 95 9.713 -1.068 6.049 711 HA ARG 95 HA ARG 95 7.290 -2.183 7.283 712 1HB ARG 95 2HB ARG 95 8.881 0.358 7.661 713 2HB ARG 95 3HB ARG 95 7.395 0.067 8.542 714 1HG ARG 95 2HG ARG 95 9.434 -2.158 8.581 715 2HG ARG 95 3HG ARG 95 9.856 -0.653 9.373 716 1HD ARG 95 2HD ARG 95 8.824 -1.899 11.120 717 2HD ARG 95 3HD ARG 95 7.608 -0.757 10.617 718 HE ARG 95 HE ARG 95 6.273 -2.410 9.749 719 1HH1 ARG 95 2HH2 ARG 95 9.434 -3.758 10.464 720 2HH1 ARG 95 1HH2 ARG 95 8.907 -5.409 10.602 721 1HH2 ARG 95 2HH1 ARG 95 5.510 -4.599 9.869 722 2HH2 ARG 95 1HH1 ARG 95 6.613 -5.895 10.199 723 H LEU 96 H LEU 96 7.860 1.054 5.871 724 HA LEU 96 HA LEU 96 5.231 1.931 5.772 725 1HB LEU 96 2HB LEU 96 7.462 2.687 3.906 726 2HB LEU 96 3HB LEU 96 5.896 3.483 4.063 727 HG LEU 96 HG LEU 96 8.130 3.410 6.125 728 1HD1 LEU 96 1HD1 LEU 96 7.910 5.816 5.952 729 2HD1 LEU 96 2HD1 LEU 96 8.073 5.136 4.323 730 3HD1 LEU 96 3HD1 LEU 96 6.476 5.647 4.912 731 1HD2 LEU 96 1HD2 LEU 96 5.238 4.146 6.639 732 2HD2 LEU 96 2HD2 LEU 96 6.237 2.963 7.515 733 3HD2 LEU 96 3HD2 LEU 96 6.601 4.684 7.639 734 H ASN 97 H ASN 97 6.971 -0.026 3.349 735 HA ASN 97 HA ASN 97 5.409 -0.250 1.181 736 1HB ASN 97 2HB ASN 97 7.404 -1.710 1.778 737 2HB ASN 97 3HB ASN 97 6.316 -2.701 2.756 738 1HD2 ASN 97 1HD2 ASN 97 7.184 -1.563 -0.475 739 2HD2 ASN 97 2HD2 ASN 97 6.393 -2.845 -1.364 740 H LYS 98 H LYS 98 4.561 -1.664 4.348 741 HA LYS 98 HA LYS 98 1.753 -1.554 3.749 742 1HB LYS 98 2HB LYS 98 1.223 -3.910 4.070 743 2HB LYS 98 3HB LYS 98 2.012 -3.574 2.544 744 1HG LYS 98 2HG LYS 98 3.856 -4.777 2.992 745 2HG LYS 98 3HG LYS 98 3.943 -4.318 4.685 746 1HD LYS 98 2HD LYS 98 1.883 -6.290 3.605 747 2HD LYS 98 3HD LYS 98 3.467 -6.764 4.267 748 1HE LYS 98 2HE LYS 98 2.904 -5.696 6.435 749 2HE LYS 98 3HE LYS 98 1.315 -5.227 5.821 750 1HZ LYS 98 1HZ LYS 98 0.701 -7.486 5.636 751 2HZ LYS 98 2HZ LYS 98 2.188 -8.007 6.141 752 3HZ LYS 98 3HZ LYS 98 1.206 -7.169 7.154 753 H ILE 99 H ILE 99 2.522 -0.067 5.575 754 HA ILE 99 HA ILE 99 2.745 -1.331 8.184 755 HB ILE 99 HB ILE 99 1.972 1.436 7.243 756 1HG1 ILE 99 2HG1 ILE 99 4.353 0.743 7.340 757 2HG1 ILE 99 3HG1 ILE 99 3.965 2.122 8.371 758 1HG2 ILE 99 1HG2 ILE 99 1.888 2.107 9.676 759 2HG2 ILE 99 2HG2 ILE 99 0.485 1.219 9.086 760 3HG2 ILE 99 3HG2 ILE 99 1.693 0.390 10.083 761 1HD1 ILE 99 1HD1 ILE 99 4.501 -0.755 9.269 762 2HD1 ILE 99 2HD1 ILE 99 5.498 0.669 9.532 763 3HD1 ILE 99 3HD1 ILE 99 3.943 0.540 10.354 764 H GLU 100 H GLU 100 -0.042 0.065 6.415 765 HA GLU 100 HA GLU 100 -1.628 -2.210 7.332 766 1HB GLU 100 2HB GLU 100 -1.792 -0.312 9.070 767 2HB GLU 100 3HB GLU 100 -2.783 0.562 7.913 768 1HG GLU 100 2HG GLU 100 -4.392 -1.332 7.900 769 2HG GLU 100 3HG GLU 100 -3.298 -2.275 8.936 770 H GLY 101 H GLY 101 -2.832 0.868 5.938 771 1HA GLY 101 2HA GLY 101 -3.694 -0.662 3.531 772 2HA GLY 101 3HA GLY 101 -4.327 0.875 4.117 773 H VAL 102 H VAL 102 -1.090 -0.405 3.176 774 HA VAL 102 HA VAL 102 -0.601 2.085 1.579 775 HB VAL 102 HB VAL 102 1.520 0.348 2.810 776 1HG1 VAL 102 1HG1 VAL 102 1.462 2.985 1.326 777 2HG1 VAL 102 2HG1 VAL 102 2.801 2.570 2.375 778 3HG1 VAL 102 3HG1 VAL 102 2.408 1.526 0.999 779 1HG2 VAL 102 1HG2 VAL 102 0.244 1.302 4.664 780 2HG2 VAL 102 2HG2 VAL 102 1.793 2.135 4.506 781 3HG2 VAL 102 3HG2 VAL 102 0.314 2.908 3.922 782 H ALA 103 H ALA 103 -0.441 1.885 -0.522 783 HA ALA 103 HA ALA 103 -0.607 -0.711 -1.810 784 1HB ALA 103 1HB ALA 103 -0.187 2.060 -3.020 785 2HB ALA 103 2HB ALA 103 -0.657 0.581 -3.875 786 3HB ALA 103 3HB ALA 103 -1.763 1.321 -2.704 787 H ASN 104 H ASN 104 1.759 1.959 -1.488 788 HA ASN 104 HA ASN 104 4.033 0.165 -2.037 789 1HB ASN 104 2HB ASN 104 3.476 2.564 -3.832 790 2HB ASN 104 3HB ASN 104 4.954 1.622 -3.821 791 1HD2 ASN 104 1HD2 ASN 104 2.261 2.099 -5.605 792 2HD2 ASN 104 2HD2 ASN 104 2.240 0.510 -6.386 793 H ALA 105 H ALA 105 6.077 1.389 -1.770 794 HA ALA 105 HA ALA 105 5.999 4.053 -0.816 795 1HB ALA 105 1HB ALA 105 6.728 3.755 1.516 796 2HB ALA 105 2HB ALA 105 5.134 3.030 1.268 797 3HB ALA 105 3HB ALA 105 6.573 1.995 1.344 798 HA PRO 106 HA PRO 106 10.126 2.372 -2.202 799 1HB PRO 106 2HB PRO 106 10.589 3.880 -4.425 800 2HB PRO 106 3HB PRO 106 9.544 2.428 -4.435 801 1HG PRO 106 2HG PRO 106 8.702 5.316 -4.199 802 2HG PRO 106 3HG PRO 106 8.026 4.081 -5.294 803 1HD PRO 106 2HD PRO 106 6.820 4.678 -2.913 804 2HD PRO 106 3HD PRO 106 6.870 3.009 -3.536 805 H VAL 107 H VAL 107 12.055 3.164 -1.525 806 HA VAL 107 HA VAL 107 12.143 5.893 -0.380 807 HB VAL 107 HB VAL 107 13.974 5.084 0.967 808 1HG1 VAL 107 1HG1 VAL 107 11.671 4.751 1.778 809 2HG1 VAL 107 2HG1 VAL 107 11.615 3.149 1.042 810 3HG1 VAL 107 3HG1 VAL 107 12.747 3.499 2.368 811 1HG2 VAL 107 1HG2 VAL 107 15.031 3.444 -0.545 812 2HG2 VAL 107 2HG2 VAL 107 14.629 2.703 1.007 813 3HG2 VAL 107 3HG2 VAL 107 13.617 2.378 -0.406 814 H ASN 108 H ASN 108 14.016 7.254 -0.676 815 HA ASN 108 HA ASN 108 15.774 6.567 -3.003 816 1HB ASN 108 2HB ASN 108 14.989 9.265 -1.837 817 2HB ASN 108 3HB ASN 108 16.204 9.021 -3.094 818 1HD2 ASN 108 1HD2 ASN 108 15.405 7.832 -5.162 819 2HD2 ASN 108 2HD2 ASN 108 13.790 8.277 -5.677 820 H PHE 109 H PHE 109 17.958 7.218 -2.751 821 HA PHE 109 HA PHE 109 18.959 7.526 0.052 822 1HB PHE 109 2HB PHE 109 19.182 5.296 -1.597 823 2HB PHE 109 3HB PHE 109 20.653 6.168 -1.961 824 HD1 PHE 109 1HD PHE 109 22.338 6.558 -0.109 825 HD2 PHE 109 2HD PHE 109 18.656 4.431 0.619 826 HE1 PHE 109 1HE PHE 109 23.167 5.878 2.117 827 HE2 PHE 109 2HE PHE 109 19.492 3.749 2.838 828 HZ PHE 109 HZ PHE 109 21.734 4.496 3.611 829 H ALA 110 H ALA 110 18.335 9.359 -2.118 830 HA ALA 110 HA ALA 110 20.970 10.721 -2.587 831 1HB ALA 110 1HB ALA 110 20.383 11.054 -4.950 832 2HB ALA 110 2HB ALA 110 20.456 9.324 -4.563 833 3HB ALA 110 3HB ALA 110 18.880 10.132 -4.728 834 H LEU 111 H LEU 111 17.420 11.000 -2.434 835 HA LEU 111 HA LEU 111 17.608 13.935 -2.150 836 1HB LEU 111 2HB LEU 111 15.180 12.116 -2.146 837 2HB LEU 111 3HB LEU 111 15.229 13.872 -2.402 838 HG LEU 111 HG LEU 111 16.150 11.634 -4.262 839 1HD1 LEU 111 1HD1 LEU 111 14.342 12.459 -5.701 840 2HD1 LEU 111 2HD1 LEU 111 13.720 11.992 -4.108 841 3HD1 LEU 111 3HD1 LEU 111 13.935 13.710 -4.506 842 1HD2 LEU 111 1HD2 LEU 111 16.308 14.674 -4.659 843 2HD2 LEU 111 2HD2 LEU 111 17.694 13.571 -4.552 844 3HD2 LEU 111 3HD2 LEU 111 16.592 13.464 -5.928 845 H GLU 112 H GLU 112 17.608 11.034 -0.276 846 HA GLU 112 HA GLU 112 17.104 10.386 1.776 847 1HB GLU 112 2HB GLU 112 17.511 13.339 2.425 848 2HB GLU 112 3HB GLU 112 17.403 12.021 3.584 849 1HG GLU 112 2HG GLU 112 19.716 12.314 3.228 850 2HG GLU 112 3HG GLU 112 19.329 10.875 2.271 851 H THR 113 H THR 113 15.040 10.156 0.421 852 HA THR 113 HA THR 113 12.751 11.156 2.015 853 HB THR 113 HB THR 113 11.539 12.021 0.193 854 HG1 THR 113 1HG THR 113 13.474 10.763 -1.429 855 1HG2 THR 113 1HG2 THR 113 14.401 12.891 -0.251 856 2HG2 THR 113 2HG2 THR 113 13.003 13.718 -0.843 857 3HG2 THR 113 3HG2 THR 113 13.317 13.592 0.927 858 H VAL 114 H VAL 114 10.714 10.099 1.414 859 HA VAL 114 HA VAL 114 10.932 7.604 -0.111 860 HB VAL 114 HB VAL 114 11.277 6.832 2.125 861 1HG1 VAL 114 1HG1 VAL 114 8.787 8.305 3.027 862 2HG1 VAL 114 2HG1 VAL 114 9.798 7.239 4.012 863 3HG1 VAL 114 3HG1 VAL 114 10.453 8.772 3.429 864 1HG2 VAL 114 1HG2 VAL 114 9.449 5.302 2.444 865 2HG2 VAL 114 2HG2 VAL 114 8.312 6.377 1.622 866 3HG2 VAL 114 3HG2 VAL 114 9.593 5.559 0.702 867 H THR 115 H THR 115 9.248 7.338 -1.474 868 HA THR 115 HA THR 115 6.998 9.248 -1.341 869 HB THR 115 HB THR 115 7.546 6.917 -3.204 870 HG1 THR 115 1HG THR 115 8.189 9.660 -3.546 871 1HG2 THR 115 1HG2 THR 115 5.206 7.695 -3.274 872 2HG2 THR 115 2HG2 THR 115 5.773 9.367 -3.493 873 3HG2 THR 115 3HG2 THR 115 6.074 8.146 -4.750 874 H VAL 116 H VAL 116 4.880 8.459 -0.749 875 HA VAL 116 HA VAL 116 4.653 5.633 0.139 876 HB VAL 116 HB VAL 116 5.168 7.080 2.103 877 1HG1 VAL 116 1HG1 VAL 116 2.461 8.390 1.612 878 2HG1 VAL 116 2HG1 VAL 116 3.551 8.647 2.973 879 3HG1 VAL 116 3HG1 VAL 116 4.035 9.172 1.352 880 1HG2 VAL 116 1HG2 VAL 116 2.389 5.842 2.045 881 2HG2 VAL 116 2HG2 VAL 116 3.921 5.008 2.385 882 3HG2 VAL 116 3HG2 VAL 116 3.320 6.247 3.500 883 H GLU 117 H GLU 117 2.875 4.733 -0.789 884 HA GLU 117 HA GLU 117 0.753 6.548 -1.899 885 1HB GLU 117 2HB GLU 117 1.869 3.874 -2.849 886 2HB GLU 117 3HB GLU 117 0.387 4.583 -3.490 887 1HG GLU 117 2HG GLU 117 1.563 6.403 -4.490 888 2HG GLU 117 3HG GLU 117 3.059 6.033 -3.611 889 H TYR 118 H TYR 118 -0.719 6.428 -0.140 890 HA TYR 118 HA TYR 118 -1.614 3.694 0.642 891 1HB TYR 118 2HB TYR 118 -1.271 4.100 2.942 892 2HB TYR 118 3HB TYR 118 0.247 4.612 2.206 893 HD1 TYR 118 HD1 TYR 118 -2.369 5.481 4.437 894 HD2 TYR 118 HD2 TYR 118 0.370 7.246 1.612 895 HE1 TYR 118 HE1 TYR 118 -2.732 7.692 5.453 896 HE2 TYR 118 HE2 TYR 118 -0.067 9.477 2.594 897 HH TYR 118 HH TYR 118 -1.818 10.607 3.894 898 H ASN 119 H ASN 119 -3.624 3.663 1.905 899 HA ASN 119 HA ASN 119 -5.489 5.597 0.740 900 1HB ASN 119 2HB ASN 119 -6.179 3.324 0.779 901 2HB ASN 119 3HB ASN 119 -5.914 3.205 2.524 902 1HD2 ASN 119 1HD2 ASN 119 -8.355 2.524 2.637 903 2HD2 ASN 119 2HD2 ASN 119 -9.500 3.808 2.513 904 HA PRO 120 HA PRO 120 -4.908 8.037 4.537 905 1HB PRO 120 2HB PRO 120 -5.937 10.403 3.776 906 2HB PRO 120 3HB PRO 120 -4.456 9.733 3.047 907 1HG PRO 120 2HG PRO 120 -7.288 9.488 1.962 908 2HG PRO 120 3HG PRO 120 -5.858 10.141 1.110 909 1HD PRO 120 2HD PRO 120 -6.617 7.541 0.850 910 2HD PRO 120 3HD PRO 120 -4.898 8.016 0.895 911 H LYS 121 H LYS 121 -7.625 6.456 3.557 912 HA LYS 121 HA LYS 121 -9.374 7.623 5.686 913 1HB LYS 121 2HB LYS 121 -9.963 5.407 3.696 914 2HB LYS 121 3HB LYS 121 -11.097 6.196 4.786 915 1HG LYS 121 2HG LYS 121 -9.663 7.477 2.406 916 2HG LYS 121 3HG LYS 121 -11.356 6.989 2.525 917 1HD LYS 121 2HD LYS 121 -11.603 8.598 4.479 918 2HD LYS 121 3HD LYS 121 -9.961 9.184 4.123 919 1HE LYS 121 2HE LYS 121 -10.675 9.832 1.834 920 2HE LYS 121 3HE LYS 121 -12.313 9.238 2.169 921 1HZ LYS 121 1HZ LYS 121 -12.492 10.889 3.902 922 2HZ LYS 121 2HZ LYS 121 -10.974 11.448 3.583 923 3HZ LYS 121 3HZ LYS 121 -12.163 11.601 2.456 924 H GLU 122 H GLU 122 -7.553 4.745 4.673 925 HA GLU 122 HA GLU 122 -8.305 3.147 6.960 926 1HB GLU 122 2HB GLU 122 -6.786 2.797 4.513 927 2HB GLU 122 3HB GLU 122 -5.760 2.346 5.874 928 1HG GLU 122 2HG GLU 122 -6.849 0.371 5.229 929 2HG GLU 122 3HG GLU 122 -7.702 0.881 6.688 930 H ALA 123 H ALA 123 -5.459 5.156 6.044 931 HA ALA 123 HA ALA 123 -4.665 5.284 8.940 932 1HB ALA 123 1HB ALA 123 -2.788 4.744 6.605 933 2HB ALA 123 2HB ALA 123 -2.329 4.921 8.311 934 3HB ALA 123 3HB ALA 123 -3.315 3.546 7.805 935 H SER 124 H SER 124 -2.530 6.993 8.789 936 HA SER 124 HA SER 124 -3.087 9.248 7.038 937 1HB SER 124 2HB SER 124 -3.662 10.818 8.814 938 2HB SER 124 3HB SER 124 -4.862 9.521 8.739 939 HG SER 124 HG SER 124 -4.266 9.820 10.885 940 H VAL 125 H VAL 125 -1.501 11.094 7.598 941 HA VAL 125 HA VAL 125 1.059 10.338 7.748 942 HB VAL 125 HB VAL 125 1.547 12.512 8.133 943 1HG1 VAL 125 1HG1 VAL 125 0.112 11.959 6.013 944 2HG1 VAL 125 2HG1 VAL 125 -1.165 12.889 6.804 945 3HG1 VAL 125 3HG1 VAL 125 0.367 13.671 6.406 946 1HG2 VAL 125 1HG2 VAL 125 0.388 13.216 10.128 947 2HG2 VAL 125 2HG2 VAL 125 -0.079 14.321 8.838 948 3HG2 VAL 125 3HG2 VAL 125 -1.194 13.033 9.331 949 H SER 126 H SER 126 -0.972 11.085 10.643 950 HA SER 126 HA SER 126 1.044 10.941 12.588 951 1HB SER 126 2HB SER 126 -1.758 9.774 12.857 952 2HB SER 126 3HB SER 126 -0.742 10.508 14.112 953 HG SER 126 HG SER 126 -2.324 11.984 13.328 954 H ASP 127 H ASP 127 -0.674 8.354 10.815 955 HA ASP 127 HA ASP 127 0.242 6.218 12.603 956 1HB ASP 127 2HB ASP 127 -1.775 5.868 11.259 957 2HB ASP 127 3HB ASP 127 -0.845 6.109 9.763 958 H LEU 128 H LEU 128 1.320 7.734 9.607 959 HA LEU 128 HA LEU 128 3.525 5.960 9.061 960 1HB LEU 128 2HB LEU 128 3.034 8.820 8.223 961 2HB LEU 128 3HB LEU 128 4.352 7.831 7.620 962 HG LEU 128 HG LEU 128 1.411 7.082 7.396 963 1HD1 LEU 128 1HD1 LEU 128 1.900 9.088 6.087 964 2HD1 LEU 128 2HD1 LEU 128 3.328 8.303 5.382 965 3HD1 LEU 128 3HD1 LEU 128 1.692 7.713 4.994 966 1HD2 LEU 128 1HD2 LEU 128 3.883 5.910 6.051 967 2HD2 LEU 128 2HD2 LEU 128 2.841 5.068 7.228 968 3HD2 LEU 128 3HD2 LEU 128 2.208 5.491 5.643 969 H LYS 129 H LYS 129 3.271 9.042 10.864 970 HA LYS 129 HA LYS 129 6.049 9.126 11.624 971 1HB LYS 129 2HB LYS 129 3.564 10.412 12.792 972 2HB LYS 129 3HB LYS 129 5.188 10.654 13.427 973 1HG LYS 129 2HG LYS 129 5.765 11.142 10.835 974 2HG LYS 129 3HG LYS 129 4.048 11.534 10.760 975 1HD LYS 129 2HD LYS 129 6.060 12.673 12.762 976 2HD LYS 129 3HD LYS 129 5.655 13.457 11.229 977 1HE LYS 129 2HE LYS 129 3.389 13.852 11.862 978 2HE LYS 129 3HE LYS 129 3.479 12.748 13.249 979 1HZ LYS 129 1HZ LYS 129 3.572 15.023 13.933 980 2HZ LYS 129 2HZ LYS 129 4.963 14.244 14.324 981 3HZ LYS 129 3HZ LYS 129 4.937 15.292 13.050 982 H GLU 130 H GLU 130 3.182 7.822 13.344 983 HA GLU 130 HA GLU 130 4.668 6.899 15.605 984 1HB GLU 130 2HB GLU 130 1.967 6.257 14.391 985 2HB GLU 130 3HB GLU 130 2.610 5.279 15.706 986 1HG GLU 130 2HG GLU 130 1.221 6.944 16.697 987 2HG GLU 130 3HG GLU 130 2.890 7.328 17.115 988 H ALA 131 H ALA 131 4.049 5.493 12.400 989 HA ALA 131 HA ALA 131 4.977 2.856 12.998 990 1HB ALA 131 1HB ALA 131 5.196 2.676 10.535 991 2HB ALA 131 2HB ALA 131 3.595 3.250 11.047 992 3HB ALA 131 3HB ALA 131 4.784 4.381 10.366 993 H VAL 132 H VAL 132 6.654 5.790 11.451 994 HA VAL 132 HA VAL 132 9.065 4.296 11.323 995 HB VAL 132 HB VAL 132 8.431 6.129 9.907 996 1HG1 VAL 132 1HG1 VAL 132 9.400 8.399 11.332 997 2HG1 VAL 132 2HG1 VAL 132 7.727 8.036 10.765 998 3HG1 VAL 132 3HG1 VAL 132 8.277 7.653 12.386 999 1HG2 VAL 132 1HG2 VAL 132 10.836 5.262 10.406 1000 2HG2 VAL 132 2HG2 VAL 132 10.703 6.802 9.561 1001 3HG2 VAL 132 3HG2 VAL 132 11.058 6.765 11.309 1002 H ASP 133 H ASP 133 7.596 6.302 13.884 1003 HA ASP 133 HA ASP 133 9.850 6.692 15.431 1004 1HB ASP 133 2HB ASP 133 7.589 7.657 15.887 1005 2HB ASP 133 3HB ASP 133 7.059 6.074 16.491 1006 H LYS 134 H LYS 134 7.660 3.917 15.270 1007 HA LYS 134 HA LYS 134 8.782 2.137 17.075 1008 1HB LYS 134 2HB LYS 134 6.898 2.009 14.978 1009 2HB LYS 134 3HB LYS 134 8.135 0.860 14.495 1010 1HG LYS 134 2HG LYS 134 6.676 -0.440 15.700 1011 2HG LYS 134 3HG LYS 134 7.888 -0.070 16.941 1012 1HD LYS 134 2HD LYS 134 6.432 1.776 17.784 1013 2HD LYS 134 3HD LYS 134 5.289 1.485 16.461 1014 1HE LYS 134 2HE LYS 134 4.945 -0.869 17.335 1015 2HE LYS 134 3HE LYS 134 5.938 -0.444 18.740 1016 1HZ LYS 134 1HZ LYS 134 4.322 1.282 19.247 1017 2HZ LYS 134 2HZ LYS 134 3.414 0.864 17.939 1018 3HZ LYS 134 3HZ LYS 134 3.598 -0.195 19.183 1019 H LEU 135 H LEU 135 10.174 3.112 13.937 1020 HA LEU 135 HA LEU 135 12.240 0.988 14.026 1021 1HB LEU 135 2HB LEU 135 11.717 3.264 12.068 1022 2HB LEU 135 3HB LEU 135 13.097 2.189 12.008 1023 HG LEU 135 HG LEU 135 11.432 1.596 10.375 1024 1HD1 LEU 135 1HD1 LEU 135 11.521 -0.785 10.720 1025 2HD1 LEU 135 2HD1 LEU 135 12.973 -0.104 11.454 1026 3HD1 LEU 135 3HD1 LEU 135 11.618 -0.608 12.479 1027 1HD2 LEU 135 1HD2 LEU 135 9.252 0.847 10.866 1028 2HD2 LEU 135 2HD2 LEU 135 9.591 0.655 12.599 1029 3HD2 LEU 135 3HD2 LEU 135 9.491 2.265 11.864 1030 H GLY 136 H GLY 136 11.782 4.161 15.317 1031 1HA GLY 136 2HA GLY 136 13.185 5.468 16.529 1032 2HA GLY 136 3HA GLY 136 14.443 4.230 16.398 1033 H TYR 137 H TYR 137 12.745 6.061 13.826 1034 HA TYR 137 HA TYR 137 15.178 7.676 13.266 1035 1HB TYR 137 2HB TYR 137 13.330 6.657 11.098 1036 2HB TYR 137 3HB TYR 137 14.853 7.497 10.884 1037 HD1 TYR 137 HD1 TYR 137 16.743 5.959 12.587 1038 HD2 TYR 137 HD2 TYR 137 13.555 4.626 10.029 1039 HE1 TYR 137 HE1 TYR 137 17.681 3.678 12.614 1040 HE2 TYR 137 HE2 TYR 137 14.581 2.364 9.932 1041 HH TYR 137 HH TYR 137 17.613 1.626 11.606 1042 H LYS 138 H LYS 138 14.294 9.707 11.820 1043 HA LYS 138 HA LYS 138 11.622 10.412 12.937 1044 1HB LYS 138 2HB LYS 138 12.313 12.572 13.439 1045 2HB LYS 138 3HB LYS 138 13.448 11.448 14.199 1046 1HG LYS 138 2HG LYS 138 14.893 11.853 12.030 1047 2HG LYS 138 3HG LYS 138 13.810 13.244 11.824 1048 1HD LYS 138 2HD LYS 138 14.493 13.683 14.379 1049 2HD LYS 138 3HD LYS 138 15.893 12.669 13.926 1050 1HE LYS 138 2HE LYS 138 16.243 14.160 11.959 1051 2HE LYS 138 3HE LYS 138 14.926 15.209 12.508 1052 1HZ LYS 138 1HZ LYS 138 17.024 16.038 12.896 1053 2HZ LYS 138 2HZ LYS 138 16.357 15.753 14.388 1054 3HZ LYS 138 3HZ LYS 138 17.540 14.745 13.784 1055 H LEU 139 H LEU 139 10.259 10.594 11.406 1056 HA LEU 139 HA LEU 139 11.057 10.923 8.565 1057 1HB LEU 139 2HB LEU 139 10.013 8.842 9.349 1058 2HB LEU 139 3HB LEU 139 8.578 9.803 9.841 1059 HG LEU 139 HG LEU 139 8.097 10.282 7.566 1060 1HD1 LEU 139 1HD1 LEU 139 10.355 10.357 6.516 1061 2HD1 LEU 139 2HD1 LEU 139 10.612 8.651 6.979 1062 3HD1 LEU 139 3HD1 LEU 139 9.418 9.072 5.739 1063 1HD2 LEU 139 1HD2 LEU 139 7.519 8.068 6.787 1064 2HD2 LEU 139 2HD2 LEU 139 8.687 7.361 7.930 1065 3HD2 LEU 139 3HD2 LEU 139 7.244 8.222 8.529 1066 H LYS 140 H LYS 140 10.226 12.710 7.529 1067 HA LYS 140 HA LYS 140 8.237 14.449 8.939 1068 1HB LYS 140 2HB LYS 140 10.676 15.372 7.355 1069 2HB LYS 140 3HB LYS 140 9.421 16.396 8.076 1070 1HG LYS 140 2HG LYS 140 10.041 15.259 10.330 1071 2HG LYS 140 3HG LYS 140 11.493 14.685 9.479 1072 1HD LYS 140 2HD LYS 140 12.092 17.004 8.900 1073 2HD LYS 140 3HD LYS 140 10.626 17.610 9.710 1074 1HE LYS 140 2HE LYS 140 11.403 16.904 11.881 1075 2HE LYS 140 3HE LYS 140 12.718 15.947 11.170 1076 1HZ LYS 140 1HZ LYS 140 12.632 18.863 10.855 1077 2HZ LYS 140 2HZ LYS 140 13.432 18.092 12.081 1078 3HZ LYS 140 3HZ LYS 140 13.857 17.778 10.539 1079 H LEU 141 H LEU 141 7.423 16.093 7.209 1080 HA LEU 141 HA LEU 141 6.381 14.433 4.963 1081 1HB LEU 141 2HB LEU 141 5.178 16.914 6.248 1082 2HB LEU 141 3HB LEU 141 4.450 15.770 5.122 1083 HG LEU 141 HG LEU 141 5.061 14.021 7.091 1084 1HD1 LEU 141 1HD1 LEU 141 6.025 15.739 8.660 1085 2HD1 LEU 141 2HD1 LEU 141 4.488 16.619 8.590 1086 3HD1 LEU 141 3HD1 LEU 141 4.563 14.993 9.296 1087 1HD2 LEU 141 1HD2 LEU 141 2.867 14.237 6.200 1088 2HD2 LEU 141 2HD2 LEU 141 2.722 14.416 7.953 1089 3HD2 LEU 141 3HD2 LEU 141 2.640 15.851 6.911 1090 H LYS 142 H LYS 142 6.421 15.373 2.813 1091 HA LYS 142 HA LYS 142 8.264 17.641 2.439 1092 1HB LYS 142 2HB LYS 142 6.558 15.978 0.558 1093 2HB LYS 142 3HB LYS 142 7.489 17.373 0.022 1094 1HG LYS 142 2HG LYS 142 9.178 15.765 1.726 1095 2HG LYS 142 3HG LYS 142 8.454 14.687 0.569 1096 1HD LYS 142 2HD LYS 142 9.530 15.613 -1.245 1097 2HD LYS 142 3HD LYS 142 9.597 17.247 -0.546 1098 1HE LYS 142 2HE LYS 142 11.258 16.621 1.072 1099 2HE LYS 142 3HE LYS 142 11.192 14.912 0.591 1100 1HZ LYS 142 1HZ LYS 142 13.065 16.014 -0.235 1101 2HZ LYS 142 2HZ LYS 142 12.112 15.549 -1.515 1102 3HZ LYS 142 3HZ LYS 142 12.176 17.137 -1.060 1103 H GLY 143 H GLY 143 7.056 18.942 3.952 1104 1HA GLY 143 2HA GLY 143 6.030 20.994 4.215 1105 2HA GLY 143 3HA GLY 143 5.477 20.960 2.532 1106 H GLU 144 H GLU 144 3.875 19.110 2.104 1107 HA GLU 144 HA GLU 144 1.649 18.728 2.204 1108 1HB GLU 144 2HB GLU 144 2.519 17.487 4.836 1109 2HB GLU 144 3HB GLU 144 0.992 17.171 3.992 1110 1HG GLU 144 2HG GLU 144 2.312 16.523 1.935 1111 2HG GLU 144 3HG GLU 144 3.796 16.641 2.888 1112 H GLN 145 H GLN 145 1.979 21.190 2.570 1113 HA GLN 145 HA GLN 145 -0.329 22.248 3.888 1114 1HB GLN 145 2HB GLN 145 2.361 22.432 5.242 1115 2HB GLN 145 3HB GLN 145 1.483 23.945 5.123 1116 1HG GLN 145 2HG GLN 145 -0.050 21.596 6.219 1117 2HG GLN 145 3HG GLN 145 1.231 22.305 7.200 1118 1HE2 GLN 145 1HE2 GLN 145 -1.293 23.734 4.991 1119 2HE2 GLN 145 2HE2 GLN 145 -1.866 24.854 6.212 1120 H ASP 146 H ASP 146 2.991 23.319 3.185 1121 HA ASP 146 HA ASP 146 2.173 25.650 1.826 1122 1HB ASP 146 2HB ASP 146 4.882 24.258 2.035 1123 2HB ASP 146 3HB ASP 146 4.635 25.853 1.312 1124 H SER 147 H SER 147 3.507 22.729 0.783 1125 HA SER 147 HA SER 147 3.023 23.286 -2.104 1126 1HB SER 147 2HB SER 147 4.497 20.905 -0.901 1127 2HB SER 147 3HB SER 147 4.542 21.480 -2.572 1128 HG SER 147 HG SER 147 5.333 23.540 -1.529 1129 H ILE 148 H ILE 148 1.033 22.295 0.120 1130 HA ILE 148 HA ILE 148 -0.843 21.068 0.239 1131 HB ILE 148 HB ILE 148 -0.428 20.737 -2.739 1132 1HG1 ILE 148 2HG1 ILE 148 -2.430 22.467 -1.249 1133 2HG1 ILE 148 3HG1 ILE 148 -0.839 23.055 -1.749 1134 1HG2 ILE 148 1HG2 ILE 148 -2.839 20.040 -2.806 1135 2HG2 ILE 148 2HG2 ILE 148 -1.811 18.870 -2.018 1136 3HG2 ILE 148 3HG2 ILE 148 -2.823 19.946 -1.035 1137 1HD1 ILE 148 1HD1 ILE 148 -3.012 22.059 -3.633 1138 2HD1 ILE 148 2HD1 ILE 148 -2.438 23.714 -3.416 1139 3HD1 ILE 148 3HD1 ILE 148 -1.357 22.494 -4.114 1140 H GLU 149 H GLU 149 1.271 19.177 -1.977 1141 HA GLU 149 HA GLU 149 1.292 16.871 -0.130 1142 1HB GLU 149 2HB GLU 149 0.206 16.904 -2.975 1143 2HB GLU 149 3HB GLU 149 0.889 15.430 -2.293 1144 1HG GLU 149 2HG GLU 149 -0.731 15.311 -0.552 1145 2HG GLU 149 3HG GLU 149 -1.376 16.911 -0.923 1146 H GLY 150 H GLY 150 2.832 15.198 -1.258 1147 1HA GLY 150 2HA GLY 150 5.397 16.398 -1.516 1148 2HA GLY 150 3HA GLY 150 4.970 14.714 -1.868 1149 H ARG 151 H ARG 151 3.382 14.695 -4.093 1150 HA ARG 151 HA ARG 151 4.340 16.368 -6.171 1151 1HB ARG 151 2HB ARG 151 6.372 14.724 -5.438 1152 2HB ARG 151 3HB ARG 151 5.408 13.522 -6.282 1153 1HG ARG 151 2HG ARG 151 6.976 14.335 -7.848 1154 2HG ARG 151 3HG ARG 151 5.457 15.128 -8.306 1155 1HD ARG 151 2HD ARG 151 6.185 17.146 -6.970 1156 2HD ARG 151 3HD ARG 151 7.711 16.307 -6.619 1157 HE ARG 151 HE ARG 151 7.347 16.301 -9.419 1158 1HH1 ARG 151 2HH2 ARG 151 7.827 18.617 -6.829 1159 2HH1 ARG 151 1HH2 ARG 151 8.611 19.832 -7.794 1160 1HH2 ARG 151 2HH1 ARG 151 8.394 17.869 -10.778 1161 2HH2 ARG 151 1HH1 ARG 151 8.947 19.376 -10.122 Start of MODEL 25 1 1H MET 1 H1 MET 1 6.387 -14.518 8.796 2 2H MET 1 H2 MET 1 4.989 -14.644 9.666 3 3H MET 1 H3 MET 1 4.949 -14.223 8.081 4 HA MET 1 HA MET 1 4.598 -12.371 9.667 5 1HB MET 1 2HB MET 1 7.579 -12.839 10.143 6 2HB MET 1 3HB MET 1 6.793 -11.272 10.335 7 1HG MET 1 2HG MET 1 5.170 -12.357 11.955 8 2HG MET 1 3HG MET 1 6.279 -13.743 11.985 9 1HE MET 1 1HE MET 1 6.483 -13.416 14.673 10 2HE MET 1 2HE MET 1 6.887 -11.852 15.419 11 3HE MET 1 3HE MET 1 5.345 -12.048 14.555 12 H LEU 2 H LEU 2 7.759 -12.493 7.791 13 HA LEU 2 HA LEU 2 6.896 -10.187 6.296 14 1HB LEU 2 2HB LEU 2 8.815 -10.271 5.061 15 2HB LEU 2 3HB LEU 2 9.260 -10.820 6.666 16 HG LEU 2 HG LEU 2 9.060 -13.244 5.590 17 1HD1 LEU 2 1HD1 LEU 2 9.672 -13.286 3.209 18 2HD1 LEU 2 2HD1 LEU 2 8.176 -12.359 3.308 19 3HD1 LEU 2 3HD1 LEU 2 9.711 -11.516 3.136 20 1HD2 LEU 2 1HD2 LEU 2 11.125 -12.259 6.454 21 2HD2 LEU 2 2HD2 LEU 2 11.424 -13.086 4.916 22 3HD2 LEU 2 3HD2 LEU 2 11.322 -11.313 4.962 23 H SER 3 H SER 3 7.161 -13.667 5.451 24 HA SER 3 HA SER 3 4.950 -13.525 3.501 25 1HB SER 3 2HB SER 3 5.917 -15.910 3.092 26 2HB SER 3 3HB SER 3 6.928 -14.548 2.618 27 HG SER 3 HG SER 3 8.039 -16.146 3.923 28 H GLU 4 H GLU 4 3.915 -15.951 3.739 29 HA GLU 4 HA GLU 4 2.696 -17.453 4.918 30 1HB GLU 4 2HB GLU 4 4.221 -16.998 6.929 31 2HB GLU 4 3HB GLU 4 2.994 -15.772 7.351 32 1HG GLU 4 2HG GLU 4 1.340 -17.873 7.086 33 2HG GLU 4 3HG GLU 4 2.808 -18.775 7.486 34 H GLN 5 H GLN 5 1.825 -15.740 3.251 35 HA GLN 5 HA GLN 5 0.226 -14.538 2.437 36 1HB GLN 5 2HB GLN 5 -1.286 -15.071 4.895 37 2HB GLN 5 3HB GLN 5 -1.892 -14.859 3.231 38 1HG GLN 5 2HG GLN 5 -0.340 -17.296 4.312 39 2HG GLN 5 3HG GLN 5 -2.065 -17.168 4.115 40 1HE2 GLN 5 1HE2 GLN 5 0.966 -16.860 1.911 41 2HE2 GLN 5 2HE2 GLN 5 0.091 -17.677 0.656 42 H LYS 6 H LYS 6 -1.080 -12.441 2.774 43 HA LYS 6 HA LYS 6 -0.512 -10.915 5.200 44 1HB LYS 6 2HB LYS 6 0.198 -8.942 4.091 45 2HB LYS 6 3HB LYS 6 1.326 -10.194 3.573 46 1HG LYS 6 2HG LYS 6 0.514 -10.219 1.367 47 2HG LYS 6 3HG LYS 6 -1.082 -9.693 1.783 48 1HD LYS 6 2HD LYS 6 -0.554 -7.772 0.959 49 2HD LYS 6 3HD LYS 6 0.115 -7.415 2.530 50 1HE LYS 6 2HE LYS 6 2.381 -8.011 1.757 51 2HE LYS 6 3HE LYS 6 1.711 -8.663 0.243 52 1HZ LYS 6 1HZ LYS 6 1.004 -6.545 -0.390 53 2HZ LYS 6 2HZ LYS 6 1.608 -5.825 0.972 54 3HZ LYS 6 3HZ LYS 6 2.634 -6.514 -0.118 55 H GLU 7 H GLU 7 -2.027 -8.974 5.135 56 HA GLU 7 HA GLU 7 -4.359 -9.231 3.330 57 1HB GLU 7 2HB GLU 7 -4.250 -7.911 6.077 58 2HB GLU 7 3HB GLU 7 -5.654 -8.453 5.154 59 1HG GLU 7 2HG GLU 7 -5.535 -10.150 6.684 60 2HG GLU 7 3HG GLU 7 -4.462 -10.862 5.487 61 H ILE 8 H ILE 8 -4.508 -7.469 1.952 62 HA ILE 8 HA ILE 8 -3.350 -4.870 2.881 63 HB ILE 8 HB ILE 8 -2.390 -6.151 0.724 64 1HG1 ILE 8 2HG1 ILE 8 -2.076 -3.759 -0.296 65 2HG1 ILE 8 3HG1 ILE 8 -2.792 -3.220 1.235 66 1HG2 ILE 8 1HG2 ILE 8 -3.381 -5.488 -1.334 67 2HG2 ILE 8 2HG2 ILE 8 -4.556 -6.375 -0.343 68 3HG2 ILE 8 3HG2 ILE 8 -4.673 -4.598 -0.507 69 1HD1 ILE 8 1HD1 ILE 8 -0.325 -3.369 1.398 70 2HD1 ILE 8 2HD1 ILE 8 -1.048 -4.621 2.434 71 3HD1 ILE 8 3HD1 ILE 8 -0.390 -5.052 0.839 72 H ALA 9 H ALA 9 -4.959 -3.452 3.415 73 HA ALA 9 HA ALA 9 -7.709 -3.929 2.362 74 1HB ALA 9 1HB ALA 9 -6.761 -2.826 5.042 75 2HB ALA 9 2HB ALA 9 -8.444 -2.875 4.483 76 3HB ALA 9 3HB ALA 9 -7.560 -4.389 4.763 77 H MET 10 H MET 10 -8.247 -2.353 0.938 78 HA MET 10 HA MET 10 -7.246 0.430 1.309 79 1HB MET 10 2HB MET 10 -6.665 -1.303 -1.139 80 2HB MET 10 3HB MET 10 -6.472 0.451 -1.079 81 1HG MET 10 2HG MET 10 -4.812 0.188 0.781 82 2HG MET 10 3HG MET 10 -4.972 -1.571 0.642 83 1HE MET 10 1HE MET 10 -3.524 1.662 -0.896 84 2HE MET 10 2HE MET 10 -2.937 1.085 -2.471 85 3HE MET 10 3HE MET 10 -4.676 1.195 -2.178 86 H GLN 11 H GLN 11 -8.221 1.852 -0.550 87 HA GLN 11 HA GLN 11 -11.036 0.954 -1.061 88 1HB GLN 11 2HB GLN 11 -9.908 3.727 -0.628 89 2HB GLN 11 3HB GLN 11 -11.551 3.382 -1.221 90 1HG GLN 11 2HG GLN 11 -11.928 2.044 0.874 91 2HG GLN 11 3HG GLN 11 -10.309 2.522 1.388 92 1HE2 GLN 11 1HE2 GLN 11 -11.518 3.304 3.230 93 2HE2 GLN 11 2HE2 GLN 11 -12.483 4.796 3.191 94 H VAL 12 H VAL 12 -11.895 1.192 -3.084 95 HA VAL 12 HA VAL 12 -10.145 2.002 -5.293 96 HB VAL 12 HB VAL 12 -9.737 -0.370 -4.980 97 1HG1 VAL 12 1HG1 VAL 12 -11.529 -2.037 -5.081 98 2HG1 VAL 12 2HG1 VAL 12 -11.783 -0.987 -3.676 99 3HG1 VAL 12 3HG1 VAL 12 -12.755 -0.752 -5.136 100 1HG2 VAL 12 1HG2 VAL 12 -11.735 0.005 -7.240 101 2HG2 VAL 12 2HG2 VAL 12 -10.026 0.505 -7.294 102 3HG2 VAL 12 3HG2 VAL 12 -10.460 -1.219 -7.132 103 H SER 13 H SER 13 -11.254 2.694 -7.084 104 HA SER 13 HA SER 13 -13.993 3.629 -6.476 105 1HB SER 13 2HB SER 13 -12.297 4.615 -8.756 106 2HB SER 13 3HB SER 13 -13.507 5.462 -7.775 107 HG SER 13 HG SER 13 -10.860 4.675 -7.059 108 H GLY 14 H GLY 14 -15.309 4.080 -8.566 109 1HA GLY 14 2HA GLY 14 -16.388 3.352 -10.453 110 2HA GLY 14 3HA GLY 14 -14.984 2.361 -10.863 111 H MET 15 H MET 15 -16.153 1.837 -7.686 112 HA MET 15 HA MET 15 -16.937 -0.878 -8.277 113 1HB MET 15 2HB MET 15 -16.792 0.861 -5.808 114 2HB MET 15 3HB MET 15 -17.628 -0.697 -5.743 115 1HG MET 15 2HG MET 15 -14.802 -0.437 -6.819 116 2HG MET 15 3HG MET 15 -15.191 -0.754 -5.129 117 1HE MET 15 1HE MET 15 -13.803 -2.834 -5.015 118 2HE MET 15 2HE MET 15 -13.881 -4.218 -6.126 119 3HE MET 15 3HE MET 15 -13.295 -2.631 -6.701 120 H THR 16 H THR 16 -18.567 -0.520 -9.830 121 HA THR 16 HA THR 16 -21.052 0.694 -9.310 122 HB THR 16 HB THR 16 -20.513 -1.786 -10.993 123 HG1 THR 16 1HG THR 16 -19.188 0.055 -11.500 124 1HG2 THR 16 1HG2 THR 16 -22.919 -1.461 -10.810 125 2HG2 THR 16 2HG2 THR 16 -22.741 0.278 -11.141 126 3HG2 THR 16 3HG2 THR 16 -22.380 -0.915 -12.404 127 H CYS 17 H CYS 17 -19.796 -2.217 -7.918 128 HA CYS 17 HA CYS 17 -20.557 -3.558 -6.272 129 1HB CYS 17 2HB CYS 17 -21.471 -1.731 -5.055 130 2HB CYS 17 3HB CYS 17 -22.950 -1.688 -6.039 131 HG CYS 17 HG CYS 17 -23.436 -2.731 -3.713 132 H ALA 18 H ALA 18 -20.598 -5.269 -7.530 133 HA ALA 18 HA ALA 18 -22.215 -7.171 -7.929 134 1HB ALA 18 1HB ALA 18 -23.184 -5.185 -10.042 135 2HB ALA 18 2HB ALA 18 -23.493 -6.936 -10.089 136 3HB ALA 18 3HB ALA 18 -24.141 -5.978 -8.771 137 H ALA 19 H ALA 19 -21.779 -6.215 -11.173 138 HA ALA 19 HA ALA 19 -19.884 -8.145 -11.676 139 1HB ALA 19 1HB ALA 19 -19.665 -7.132 -13.893 140 2HB ALA 19 2HB ALA 19 -21.363 -7.174 -13.371 141 3HB ALA 19 3HB ALA 19 -20.450 -5.646 -13.311 142 H CYS 20 H CYS 20 -19.241 -4.767 -10.720 143 HA CYS 20 HA CYS 20 -16.573 -4.639 -11.779 144 1HB CYS 20 2HB CYS 20 -18.040 -3.065 -9.626 145 2HB CYS 20 3HB CYS 20 -16.347 -2.741 -10.061 146 HG CYS 20 HG CYS 20 -18.824 -2.950 -12.218 147 H ALA 21 H ALA 21 -17.720 -5.032 -8.425 148 HA ALA 21 HA ALA 21 -15.306 -5.779 -7.177 149 1HB ALA 21 1HB ALA 21 -18.212 -6.599 -6.658 150 2HB ALA 21 2HB ALA 21 -16.873 -6.971 -5.568 151 3HB ALA 21 3HB ALA 21 -17.314 -5.278 -5.880 152 H ALA 22 H ALA 22 -17.863 -7.868 -8.580 153 HA ALA 22 HA ALA 22 -16.574 -10.318 -8.104 154 1HB ALA 22 1HB ALA 22 -18.465 -9.603 -10.380 155 2HB ALA 22 2HB ALA 22 -18.098 -11.240 -9.791 156 3HB ALA 22 3HB ALA 22 -18.944 -10.088 -8.737 157 H ARG 23 H ARG 23 -16.180 -8.060 -10.855 158 HA ARG 23 HA ARG 23 -14.592 -9.833 -12.445 159 1HB ARG 23 2HB ARG 23 -15.279 -6.889 -12.450 160 2HB ARG 23 3HB ARG 23 -13.811 -7.349 -13.252 161 1HG ARG 23 2HG ARG 23 -16.485 -8.627 -13.888 162 2HG ARG 23 3HG ARG 23 -15.722 -7.290 -14.767 163 1HD ARG 23 2HD ARG 23 -13.644 -9.120 -14.583 164 2HD ARG 23 3HD ARG 23 -15.031 -10.197 -14.766 165 HE ARG 23 HE ARG 23 -15.468 -8.307 -16.713 166 1HH1 ARG 23 2HH2 ARG 23 -12.711 -10.371 -15.970 167 2HH1 ARG 23 1HH2 ARG 23 -12.067 -10.372 -17.585 168 1HH2 ARG 23 2HH1 ARG 23 -14.616 -8.239 -18.859 169 2HH2 ARG 23 1HH1 ARG 23 -13.192 -9.131 -19.268 170 H ILE 24 H ILE 24 -13.791 -7.280 -9.983 171 HA ILE 24 HA ILE 24 -10.956 -7.551 -10.480 172 HB ILE 24 HB ILE 24 -12.488 -6.511 -8.089 173 1HG1 ILE 24 2HG1 ILE 24 -10.833 -4.945 -10.125 174 2HG1 ILE 24 3HG1 ILE 24 -12.525 -5.319 -10.466 175 1HG2 ILE 24 1HG2 ILE 24 -10.423 -7.239 -7.293 176 2HG2 ILE 24 2HG2 ILE 24 -9.540 -6.521 -8.669 177 3HG2 ILE 24 3HG2 ILE 24 -10.315 -5.490 -7.436 178 1HD1 ILE 24 1HD1 ILE 24 -11.635 -3.820 -7.980 179 2HD1 ILE 24 2HD1 ILE 24 -12.234 -3.073 -9.456 180 3HD1 ILE 24 3HD1 ILE 24 -13.302 -4.147 -8.539 181 H GLU 25 H GLU 25 -13.219 -8.977 -8.031 182 HA GLU 25 HA GLU 25 -11.307 -10.523 -6.686 183 1HB GLU 25 2HB GLU 25 -14.282 -10.960 -7.198 184 2HB GLU 25 3HB GLU 25 -13.332 -11.932 -6.061 185 1HG GLU 25 2HG GLU 25 -12.821 -10.020 -4.695 186 2HG GLU 25 3HG GLU 25 -13.532 -8.893 -5.849 187 H LYS 26 H LYS 26 -13.355 -11.468 -9.552 188 HA LYS 26 HA LYS 26 -12.270 -14.051 -9.792 189 1HB LYS 26 2HB LYS 26 -14.350 -13.082 -10.935 190 2HB LYS 26 3HB LYS 26 -13.229 -12.397 -12.132 191 1HG LYS 26 2HG LYS 26 -12.260 -14.824 -12.166 192 2HG LYS 26 3HG LYS 26 -13.765 -15.313 -11.398 193 1HD LYS 26 2HD LYS 26 -13.510 -13.884 -14.090 194 2HD LYS 26 3HD LYS 26 -13.704 -15.632 -13.868 195 1HE LYS 26 2HE LYS 26 -15.898 -15.216 -12.698 196 2HE LYS 26 3HE LYS 26 -15.737 -13.492 -13.072 197 1HZ LYS 26 1HZ LYS 26 -17.108 -14.635 -14.666 198 2HZ LYS 26 2HZ LYS 26 -15.754 -14.089 -15.417 199 3HZ LYS 26 3HZ LYS 26 -15.908 -15.684 -15.046 200 H GLY 27 H GLY 27 -11.213 -10.910 -11.116 201 1HA GLY 27 2HA GLY 27 -9.112 -11.869 -12.802 202 2HA GLY 27 3HA GLY 27 -9.298 -10.231 -12.145 203 H LEU 28 H LEU 28 -9.248 -10.891 -9.375 204 HA LEU 28 HA LEU 28 -6.436 -11.029 -8.956 205 1HB LEU 28 2HB LEU 28 -8.850 -10.563 -7.289 206 2HB LEU 28 3HB LEU 28 -7.483 -11.277 -6.445 207 HG LEU 28 HG LEU 28 -7.185 -8.680 -8.085 208 1HD1 LEU 28 1HD1 LEU 28 -8.742 -8.404 -6.327 209 2HD1 LEU 28 2HD1 LEU 28 -7.658 -9.197 -5.178 210 3HD1 LEU 28 3HD1 LEU 28 -7.189 -7.637 -5.922 211 1HD2 LEU 28 1HD2 LEU 28 -5.422 -9.886 -5.925 212 2HD2 LEU 28 2HD2 LEU 28 -5.092 -10.267 -7.604 213 3HD2 LEU 28 3HD2 LEU 28 -5.051 -8.597 -7.109 214 H LYS 29 H LYS 29 -9.155 -13.204 -8.254 215 HA LYS 29 HA LYS 29 -7.678 -15.327 -7.117 216 1HB LYS 29 2HB LYS 29 -10.394 -15.083 -8.358 217 2HB LYS 29 3HB LYS 29 -9.770 -16.675 -7.871 218 1HG LYS 29 2HG LYS 29 -9.561 -16.117 -5.615 219 2HG LYS 29 3HG LYS 29 -9.433 -14.395 -5.934 220 1HD LYS 29 2HD LYS 29 -11.404 -14.867 -4.704 221 2HD LYS 29 3HD LYS 29 -11.795 -14.123 -6.242 222 1HE LYS 29 2HE LYS 29 -11.926 -17.147 -5.752 223 2HE LYS 29 3HE LYS 29 -13.270 -16.056 -5.378 224 1HZ LYS 29 1HZ LYS 29 -13.322 -15.372 -7.650 225 2HZ LYS 29 2HZ LYS 29 -12.080 -16.389 -8.035 226 3HZ LYS 29 3HZ LYS 29 -13.529 -17.002 -7.534 227 H ARG 30 H ARG 30 -7.639 -14.252 -10.354 228 HA ARG 30 HA ARG 30 -6.727 -16.635 -11.634 229 1HB ARG 30 2HB ARG 30 -7.343 -14.108 -12.458 230 2HB ARG 30 3HB ARG 30 -5.605 -13.929 -12.335 231 1HG ARG 30 2HG ARG 30 -5.991 -14.563 -14.575 232 2HG ARG 30 3HG ARG 30 -5.462 -16.075 -13.812 233 1HD ARG 30 2HD ARG 30 -7.858 -16.750 -13.558 234 2HD ARG 30 3HD ARG 30 -8.357 -15.202 -14.281 235 HE ARG 30 HE ARG 30 -6.579 -16.538 -16.061 236 1HH1 ARG 30 2HH2 ARG 30 -9.807 -16.906 -14.728 237 2HH1 ARG 30 1HH2 ARG 30 -10.484 -17.719 -16.109 238 1HH2 ARG 30 2HH1 ARG 30 -7.430 -17.620 -17.943 239 2HH2 ARG 30 1HH1 ARG 30 -9.084 -18.126 -17.986 240 H MET 31 H MET 31 -5.098 -14.343 -9.458 241 HA MET 31 HA MET 31 -2.409 -14.916 -10.339 242 1HB MET 31 2HB MET 31 -3.520 -13.611 -7.838 243 2HB MET 31 3HB MET 31 -1.816 -13.624 -8.260 244 1HG MET 31 2HG MET 31 -3.848 -12.428 -10.193 245 2HG MET 31 3HG MET 31 -3.280 -11.564 -8.784 246 1HE MET 31 1HE MET 31 -2.678 -12.078 -12.448 247 2HE MET 31 2HE MET 31 -0.911 -12.159 -12.627 248 3HE MET 31 3HE MET 31 -1.792 -13.540 -11.948 249 HA PRO 32 HA PRO 32 -1.774 -18.626 -8.124 250 1HB PRO 32 2HB PRO 32 0.938 -18.686 -7.734 251 2HB PRO 32 3HB PRO 32 0.153 -18.899 -9.321 252 1HG PRO 32 2HG PRO 32 1.338 -16.361 -8.182 253 2HG PRO 32 3HG PRO 32 1.598 -17.057 -9.803 254 1HD PRO 32 2HD PRO 32 -0.211 -15.069 -9.381 255 2HD PRO 32 3HD PRO 32 -0.568 -16.402 -10.520 256 H GLY 33 H GLY 33 -0.089 -15.759 -6.518 257 1HA GLY 33 2HA GLY 33 0.075 -17.218 -4.022 258 2HA GLY 33 3HA GLY 33 0.517 -15.539 -4.350 259 H VAL 34 H VAL 34 -2.675 -16.147 -5.396 260 HA VAL 34 HA VAL 34 -3.726 -14.332 -3.392 261 HB VAL 34 HB VAL 34 -4.440 -14.536 -5.824 262 1HG1 VAL 34 1HG1 VAL 34 -5.837 -16.256 -6.581 263 2HG1 VAL 34 2HG1 VAL 34 -4.641 -17.138 -5.648 264 3HG1 VAL 34 3HG1 VAL 34 -6.236 -16.815 -4.945 265 1HG2 VAL 34 1HG2 VAL 34 -6.627 -14.694 -3.711 266 2HG2 VAL 34 2HG2 VAL 34 -5.725 -13.241 -4.191 267 3HG2 VAL 34 3HG2 VAL 34 -6.794 -14.036 -5.352 268 H THR 35 H THR 35 -4.514 -14.796 -1.471 269 HA THR 35 HA THR 35 -4.902 -17.629 -0.671 270 HB THR 35 HB THR 35 -5.010 -15.066 0.935 271 HG1 THR 35 1HG THR 35 -2.792 -16.766 0.656 272 1HG2 THR 35 1HG2 THR 35 -6.010 -16.974 2.104 273 2HG2 THR 35 2HG2 THR 35 -4.599 -17.984 1.730 274 3HG2 THR 35 3HG2 THR 35 -4.436 -16.602 2.835 275 H ASP 36 H ASP 36 -6.502 -14.389 -0.500 276 HA ASP 36 HA ASP 36 -9.111 -15.529 -1.099 277 1HB ASP 36 2HB ASP 36 -8.627 -15.945 1.419 278 2HB ASP 36 3HB ASP 36 -8.722 -14.189 1.613 279 H ALA 37 H ALA 37 -10.373 -13.872 -1.993 280 HA ALA 37 HA ALA 37 -9.163 -11.117 -2.097 281 1HB ALA 37 1HB ALA 37 -9.988 -10.912 -4.394 282 2HB ALA 37 2HB ALA 37 -8.816 -12.239 -4.275 283 3HB ALA 37 3HB ALA 37 -10.555 -12.588 -4.373 284 H ASN 38 H ASN 38 -10.559 -9.771 -0.954 285 HA ASN 38 HA ASN 38 -13.485 -10.346 -1.153 286 1HB ASN 38 2HB ASN 38 -12.008 -9.502 1.374 287 2HB ASN 38 3HB ASN 38 -13.712 -9.940 1.225 288 1HD2 ASN 38 1HD2 ASN 38 -13.012 -12.358 -0.528 289 2HD2 ASN 38 2HD2 ASN 38 -12.272 -13.501 0.553 290 H VAL 39 H VAL 39 -14.793 -8.474 -0.528 291 HA VAL 39 HA VAL 39 -13.495 -5.881 -0.347 292 HB VAL 39 HB VAL 39 -13.330 -6.159 -2.700 293 1HG1 VAL 39 1HG1 VAL 39 -16.326 -6.628 -2.930 294 2HG1 VAL 39 2HG1 VAL 39 -15.100 -6.590 -4.216 295 3HG1 VAL 39 3HG1 VAL 39 -15.099 -7.901 -3.036 296 1HG2 VAL 39 1HG2 VAL 39 -14.273 -4.183 -3.398 297 2HG2 VAL 39 2HG2 VAL 39 -15.746 -4.369 -2.434 298 3HG2 VAL 39 3HG2 VAL 39 -14.216 -3.941 -1.651 299 H ASN 40 H ASN 40 -14.442 -4.907 1.160 300 HA ASN 40 HA ASN 40 -17.301 -5.402 1.838 301 1HB ASN 40 2HB ASN 40 -15.035 -3.798 3.079 302 2HB ASN 40 3HB ASN 40 -16.727 -3.486 3.485 303 1HD2 ASN 40 1HD2 ASN 40 -16.856 -4.196 5.567 304 2HD2 ASN 40 2HD2 ASN 40 -16.512 -5.852 6.035 305 H LEU 41 H LEU 41 -17.654 -4.832 -0.475 306 HA LEU 41 HA LEU 41 -17.484 -2.184 -1.451 307 1HB LEU 41 2HB LEU 41 -19.357 -2.782 -2.921 308 2HB LEU 41 3HB LEU 41 -18.058 -3.960 -2.893 309 HG LEU 41 HG LEU 41 -19.535 -5.292 -1.278 310 1HD1 LEU 41 1HD1 LEU 41 -22.055 -4.837 -1.828 311 2HD1 LEU 41 2HD1 LEU 41 -21.303 -3.876 -0.570 312 3HD1 LEU 41 3HD1 LEU 41 -21.517 -3.184 -2.186 313 1HD2 LEU 41 1HD2 LEU 41 -20.804 -6.249 -3.197 314 2HD2 LEU 41 2HD2 LEU 41 -20.345 -4.831 -4.167 315 3HD2 LEU 41 3HD2 LEU 41 -19.103 -5.950 -3.574 316 H ALA 42 H ALA 42 -19.432 -3.478 1.053 317 HA ALA 42 HA ALA 42 -21.453 -1.533 1.257 318 1HB ALA 42 1HB ALA 42 -20.027 -3.100 3.461 319 2HB ALA 42 2HB ALA 42 -21.590 -2.274 3.625 320 3HB ALA 42 3HB ALA 42 -21.437 -3.668 2.533 321 H THR 43 H THR 43 -18.008 -1.466 2.186 322 HA THR 43 HA THR 43 -18.341 1.410 2.893 323 HB THR 43 HB THR 43 -16.461 1.159 4.424 324 HG1 THR 43 1HG THR 43 -15.288 -0.511 3.703 325 1HG2 THR 43 1HG2 THR 43 -18.784 0.779 5.284 326 2HG2 THR 43 2HG2 THR 43 -18.570 -0.966 5.034 327 3HG2 THR 43 3HG2 THR 43 -17.545 -0.109 6.194 328 H GLU 44 H GLU 44 -17.853 -0.116 0.276 329 HA GLU 44 HA GLU 44 -16.357 -0.239 -1.461 330 1HB GLU 44 2HB GLU 44 -16.111 2.673 -0.625 331 2HB GLU 44 3HB GLU 44 -15.492 2.019 -2.148 332 1HG GLU 44 2HG GLU 44 -17.762 1.247 -2.768 333 2HG GLU 44 3HG GLU 44 -18.412 1.977 -1.288 334 H THR 45 H THR 45 -15.089 -1.561 0.571 335 HA THR 45 HA THR 45 -12.296 -0.492 0.594 336 HB THR 45 HB THR 45 -13.819 -2.023 2.731 337 HG1 THR 45 1HG THR 45 -14.109 0.481 2.235 338 1HG2 THR 45 1HG2 THR 45 -11.825 -1.400 4.122 339 2HG2 THR 45 2HG2 THR 45 -11.463 -2.504 2.779 340 3HG2 THR 45 3HG2 THR 45 -11.048 -0.781 2.645 341 H VAL 46 H VAL 46 -11.104 -1.843 -0.718 342 HA VAL 46 HA VAL 46 -11.983 -4.624 -1.193 343 HB VAL 46 HB VAL 46 -11.504 -3.395 -3.164 344 1HG1 VAL 46 1HG1 VAL 46 -9.931 -1.643 -2.386 345 2HG1 VAL 46 2HG1 VAL 46 -8.689 -2.873 -2.075 346 3HG1 VAL 46 3HG1 VAL 46 -9.235 -2.556 -3.724 347 1HG2 VAL 46 1HG2 VAL 46 -9.859 -4.857 -4.185 348 2HG2 VAL 46 2HG2 VAL 46 -9.229 -5.297 -2.587 349 3HG2 VAL 46 3HG2 VAL 46 -10.875 -5.780 -3.055 350 H ASN 47 H ASN 47 -10.986 -6.315 -0.226 351 HA ASN 47 HA ASN 47 -8.589 -5.777 1.467 352 1HB ASN 47 2HB ASN 47 -11.079 -7.392 2.116 353 2HB ASN 47 3HB ASN 47 -9.565 -7.518 3.021 354 1HD2 ASN 47 1HD2 ASN 47 -11.893 -6.849 4.378 355 2HD2 ASN 47 2HD2 ASN 47 -11.759 -5.174 4.886 356 H VAL 48 H VAL 48 -6.999 -6.917 0.445 357 HA VAL 48 HA VAL 48 -7.753 -9.520 -0.869 358 HB VAL 48 HB VAL 48 -5.410 -7.862 -1.793 359 1HG1 VAL 48 1HG1 VAL 48 -7.170 -9.996 -3.076 360 2HG1 VAL 48 2HG1 VAL 48 -5.766 -9.200 -3.813 361 3HG1 VAL 48 3HG1 VAL 48 -5.548 -10.266 -2.422 362 1HG2 VAL 48 1HG2 VAL 48 -6.871 -7.040 -3.638 363 2HG2 VAL 48 2HG2 VAL 48 -8.290 -7.659 -2.762 364 3HG2 VAL 48 3HG2 VAL 48 -7.287 -6.355 -2.070 365 H ILE 49 H ILE 49 -6.742 -11.283 -0.170 366 HA ILE 49 HA ILE 49 -4.458 -10.954 1.632 367 HB ILE 49 HB ILE 49 -6.606 -13.093 1.632 368 1HG1 ILE 49 2HG1 ILE 49 -6.115 -10.839 3.637 369 2HG1 ILE 49 3HG1 ILE 49 -7.387 -10.800 2.415 370 1HG2 ILE 49 1HG2 ILE 49 -5.608 -14.079 3.509 371 2HG2 ILE 49 2HG2 ILE 49 -4.200 -13.693 2.516 372 3HG2 ILE 49 3HG2 ILE 49 -4.623 -12.658 3.877 373 1HD1 ILE 49 1HD1 ILE 49 -7.235 -12.877 4.624 374 2HD1 ILE 49 2HD1 ILE 49 -8.267 -11.438 4.589 375 3HD1 ILE 49 3HD1 ILE 49 -8.504 -12.713 3.385 376 H TYR 50 H TYR 50 -2.579 -11.906 0.924 377 HA TYR 50 HA TYR 50 -2.539 -14.085 -0.969 378 1HB TYR 50 2HB TYR 50 -1.377 -12.810 -2.771 379 2HB TYR 50 3HB TYR 50 -3.036 -12.281 -2.541 380 HD1 TYR 50 HD1 TYR 50 0.474 -11.271 -2.446 381 HD2 TYR 50 HD2 TYR 50 -3.529 -10.147 -1.321 382 HE1 TYR 50 HE1 TYR 50 1.194 -8.913 -2.218 383 HE2 TYR 50 HE2 TYR 50 -2.819 -7.816 -1.077 384 HH TYR 50 HH TYR 50 -1.111 -6.320 -1.404 385 H ASP 51 H ASP 51 -0.100 -14.606 -1.527 386 HA ASP 51 HA ASP 51 1.496 -14.004 0.926 387 1HB ASP 51 2HB ASP 51 1.385 -16.322 -0.346 388 2HB ASP 51 3HB ASP 51 2.700 -15.612 -1.267 389 HA PRO 52 HA PRO 52 3.569 -10.735 -1.404 390 1HB PRO 52 2HB PRO 52 5.367 -9.881 0.487 391 2HB PRO 52 3HB PRO 52 3.624 -9.616 0.618 392 1HG PRO 52 2HG PRO 52 5.234 -11.807 1.903 393 2HG PRO 52 3HG PRO 52 4.018 -10.723 2.662 394 1HD PRO 52 2HD PRO 52 3.421 -13.248 1.820 395 2HD PRO 52 3HD PRO 52 2.231 -11.924 1.762 396 H ALA 53 H ALA 53 4.245 -13.344 -2.151 397 HA ALA 53 HA ALA 53 7.057 -12.874 -2.928 398 1HB ALA 53 1HB ALA 53 7.232 -14.158 -0.798 399 2HB ALA 53 2HB ALA 53 6.221 -15.441 -1.506 400 3HB ALA 53 3HB ALA 53 7.828 -15.097 -2.181 401 H GLU 54 H GLU 54 4.101 -13.652 -4.000 402 HA GLU 54 HA GLU 54 5.216 -14.982 -6.422 403 1HB GLU 54 2HB GLU 54 2.541 -15.352 -5.031 404 2HB GLU 54 3HB GLU 54 2.957 -16.001 -6.625 405 1HG GLU 54 2HG GLU 54 4.916 -17.205 -5.505 406 2HG GLU 54 3HG GLU 54 4.166 -16.795 -3.949 407 H THR 55 H THR 55 2.912 -12.550 -5.034 408 HA THR 55 HA THR 55 1.871 -11.964 -7.726 409 HB THR 55 HB THR 55 0.808 -12.099 -4.883 410 HG1 THR 55 1HG THR 55 0.337 -13.531 -7.273 411 1HG2 THR 55 1HG2 THR 55 -0.312 -10.201 -6.071 412 2HG2 THR 55 2HG2 THR 55 -0.704 -11.351 -7.371 413 3HG2 THR 55 3HG2 THR 55 -1.324 -11.614 -5.707 414 H GLY 56 H GLY 56 1.517 -10.099 -4.695 415 1HA GLY 56 2HA GLY 56 3.127 -8.489 -3.963 416 2HA GLY 56 3HA GLY 56 3.582 -8.143 -5.630 417 H THR 57 H THR 57 2.140 -6.794 -3.220 418 HA THR 57 HA THR 57 -0.272 -5.628 -3.685 419 HB THR 57 HB THR 57 1.048 -4.931 -1.814 420 HG1 THR 57 1HG THR 57 1.137 -2.503 -2.520 421 1HG2 THR 57 1HG2 THR 57 3.016 -3.569 -1.898 422 2HG2 THR 57 2HG2 THR 57 3.310 -5.078 -2.766 423 3HG2 THR 57 3HG2 THR 57 3.011 -3.568 -3.663 424 H ALA 58 H ALA 58 2.667 -4.727 -5.484 425 HA ALA 58 HA ALA 58 1.441 -2.661 -7.016 426 1HB ALA 58 1HB ALA 58 3.422 -2.878 -8.472 427 2HB ALA 58 2HB ALA 58 3.882 -2.887 -6.759 428 3HB ALA 58 3HB ALA 58 3.855 -4.409 -7.681 429 H ALA 59 H ALA 59 1.664 -6.224 -7.574 430 HA ALA 59 HA ALA 59 0.634 -6.026 -10.293 431 1HB ALA 59 1HB ALA 59 0.776 -8.392 -8.408 432 2HB ALA 59 2HB ALA 59 0.437 -8.423 -10.155 433 3HB ALA 59 3HB ALA 59 2.036 -7.900 -9.572 434 H ILE 60 H ILE 60 -0.645 -6.601 -7.022 435 HA ILE 60 HA ILE 60 -3.317 -7.314 -7.731 436 HB ILE 60 HB ILE 60 -2.472 -5.678 -5.381 437 1HG1 ILE 60 2HG1 ILE 60 -1.209 -8.022 -5.742 438 2HG1 ILE 60 3HG1 ILE 60 -1.619 -7.361 -4.165 439 1HG2 ILE 60 1HG2 ILE 60 -4.832 -7.471 -5.352 440 2HG2 ILE 60 2HG2 ILE 60 -4.188 -6.480 -4.051 441 3HG2 ILE 60 3HG2 ILE 60 -4.836 -5.706 -5.510 442 1HD1 ILE 60 1HD1 ILE 60 -3.526 -8.846 -4.015 443 2HD1 ILE 60 2HD1 ILE 60 -3.192 -9.452 -5.673 444 3HD1 ILE 60 3HD1 ILE 60 -2.042 -9.728 -4.358 445 H GLN 61 H GLN 61 -1.852 -4.105 -6.914 446 HA GLN 61 HA GLN 61 -4.210 -2.669 -7.625 447 1HB GLN 61 2HB GLN 61 -3.168 -0.754 -7.049 448 2HB GLN 61 3HB GLN 61 -2.289 -1.951 -6.103 449 1HG GLN 61 2HG GLN 61 -0.627 -0.512 -6.843 450 2HG GLN 61 3HG GLN 61 -0.506 -1.856 -7.969 451 1HE2 GLN 61 1HE2 GLN 61 -1.996 1.414 -7.625 452 2HE2 GLN 61 2HE2 GLN 61 -2.016 1.672 -9.371 453 H GLU 62 H GLU 62 -1.323 -3.634 -9.555 454 HA GLU 62 HA GLU 62 -1.912 -2.173 -11.881 455 1HB GLU 62 2HB GLU 62 0.170 -3.557 -11.455 456 2HB GLU 62 3HB GLU 62 -0.815 -5.008 -11.724 457 1HG GLU 62 2HG GLU 62 -1.376 -3.847 -13.999 458 2HG GLU 62 3HG GLU 62 0.073 -2.900 -13.688 459 H LYS 63 H LYS 63 -3.195 -5.299 -10.694 460 HA LYS 63 HA LYS 63 -4.685 -5.907 -12.972 461 1HB LYS 63 2HB LYS 63 -4.382 -6.974 -10.285 462 2HB LYS 63 3HB LYS 63 -6.090 -6.948 -10.685 463 1HG LYS 63 2HG LYS 63 -3.879 -8.222 -12.367 464 2HG LYS 63 3HG LYS 63 -4.965 -9.046 -11.251 465 1HD LYS 63 2HD LYS 63 -6.231 -9.445 -13.027 466 2HD LYS 63 3HD LYS 63 -6.842 -7.806 -12.735 467 1HE LYS 63 2HE LYS 63 -5.551 -6.901 -14.569 468 2HE LYS 63 3HE LYS 63 -4.483 -8.316 -14.613 469 1HZ LYS 63 1HZ LYS 63 -6.344 -9.563 -15.465 470 2HZ LYS 63 2HZ LYS 63 -7.314 -8.229 -15.397 471 3HZ LYS 63 3HZ LYS 63 -6.026 -8.255 -16.410 472 H ILE 64 H ILE 64 -5.613 -4.179 -9.980 473 HA ILE 64 HA ILE 64 -8.307 -3.622 -10.680 474 HB ILE 64 HB ILE 64 -6.311 -2.098 -8.963 475 1HG1 ILE 64 2HG1 ILE 64 -8.667 -3.914 -8.263 476 2HG1 ILE 64 3HG1 ILE 64 -6.983 -4.444 -8.285 477 1HG2 ILE 64 1HG2 ILE 64 -9.312 -1.686 -9.197 478 2HG2 ILE 64 2HG2 ILE 64 -8.227 -0.894 -8.032 479 3HG2 ILE 64 3HG2 ILE 64 -8.067 -0.532 -9.736 480 1HD1 ILE 64 1HD1 ILE 64 -8.190 -2.397 -6.394 481 2HD1 ILE 64 2HD1 ILE 64 -7.551 -4.002 -6.021 482 3HD1 ILE 64 3HD1 ILE 64 -6.445 -2.718 -6.547 483 H GLU 65 H GLU 65 -5.285 -1.769 -11.414 484 HA GLU 65 HA GLU 65 -6.749 0.276 -12.811 485 1HB GLU 65 2HB GLU 65 -3.803 -0.444 -13.020 486 2HB GLU 65 3HB GLU 65 -4.606 0.960 -13.745 487 1HG GLU 65 2HG GLU 65 -5.487 1.449 -11.320 488 2HG GLU 65 3HG GLU 65 -4.213 0.343 -10.795 489 H LYS 66 H LYS 66 -5.136 -2.665 -14.032 490 HA LYS 66 HA LYS 66 -5.777 -2.189 -16.774 491 1HB LYS 66 2HB LYS 66 -4.953 -4.621 -15.246 492 2HB LYS 66 3HB LYS 66 -5.355 -4.704 -16.981 493 1HG LYS 66 2HG LYS 66 -3.704 -3.040 -17.573 494 2HG LYS 66 3HG LYS 66 -3.494 -2.578 -15.882 495 1HD LYS 66 2HD LYS 66 -1.622 -3.711 -16.274 496 2HD LYS 66 3HD LYS 66 -2.635 -4.887 -15.419 497 1HE LYS 66 2HE LYS 66 -2.952 -6.198 -17.386 498 2HE LYS 66 3HE LYS 66 -2.379 -4.904 -18.458 499 1HZ LYS 66 1HZ LYS 66 -0.712 -6.712 -17.974 500 2HZ LYS 66 2HZ LYS 66 -0.196 -5.179 -17.648 501 3HZ LYS 66 3HZ LYS 66 -0.633 -6.117 -16.426 502 H LEU 67 H LEU 67 -7.735 -3.528 -14.112 503 HA LEU 67 HA LEU 67 -9.897 -4.435 -15.855 504 1HB LEU 67 2HB LEU 67 -9.453 -3.959 -12.905 505 2HB LEU 67 3HB LEU 67 -11.074 -4.119 -13.523 506 HG LEU 67 HG LEU 67 -9.669 -6.167 -12.589 507 1HD1 LEU 67 1HD1 LEU 67 -11.702 -6.272 -14.846 508 2HD1 LEU 67 2HD1 LEU 67 -11.302 -7.618 -13.749 509 3HD1 LEU 67 3HD1 LEU 67 -12.022 -6.132 -13.101 510 1HD2 LEU 67 1HD2 LEU 67 -7.969 -6.171 -14.435 511 2HD2 LEU 67 2HD2 LEU 67 -8.909 -7.668 -14.277 512 3HD2 LEU 67 3HD2 LEU 67 -9.274 -6.536 -15.588 513 H GLY 68 H GLY 68 -8.722 -1.304 -15.276 514 1HA GLY 68 2HA GLY 68 -9.566 0.612 -16.172 515 2HA GLY 68 3HA GLY 68 -11.098 -0.191 -16.541 516 H TYR 69 H TYR 69 -9.416 0.033 -13.381 517 HA TYR 69 HA TYR 69 -11.491 1.923 -12.358 518 1HB TYR 69 2HB TYR 69 -10.317 -0.453 -10.891 519 2HB TYR 69 3HB TYR 69 -11.522 0.665 -10.261 520 HD1 TYR 69 HD1 TYR 69 -11.135 -2.546 -11.515 521 HD2 TYR 69 HD2 TYR 69 -13.658 0.903 -12.045 522 HE1 TYR 69 HE1 TYR 69 -12.976 -3.997 -12.331 523 HE2 TYR 69 HE2 TYR 69 -15.419 -0.536 -13.023 524 HH TYR 69 HH TYR 69 -14.830 -4.023 -13.649 525 H HIS 70 H HIS 70 -10.554 2.746 -10.081 526 HA HIS 70 HA HIS 70 -7.626 3.243 -10.288 527 1HB HIS 70 2HB HIS 70 -9.831 5.336 -10.247 528 2HB HIS 70 3HB HIS 70 -8.240 5.650 -9.556 529 HD1 HIS 70 1HD HIS 70 -8.035 3.665 -12.766 530 HD2 HIS 70 2HD HIS 70 -7.965 7.638 -11.374 531 HE1 HIS 70 1HE HIS 70 -7.146 5.096 -14.678 532 H VAL 71 H VAL 71 -6.654 3.321 -8.337 533 HA VAL 71 HA VAL 71 -8.224 2.573 -5.963 534 HB VAL 71 HB VAL 71 -6.043 2.168 -4.967 535 1HG1 VAL 71 1HG1 VAL 71 -5.471 0.195 -6.276 536 2HG1 VAL 71 2HG1 VAL 71 -7.227 0.384 -6.149 537 3HG1 VAL 71 3HG1 VAL 71 -6.393 0.807 -7.662 538 1HG2 VAL 71 1HG2 VAL 71 -4.689 3.850 -6.304 539 2HG2 VAL 71 2HG2 VAL 71 -3.980 2.232 -6.245 540 3HG2 VAL 71 3HG2 VAL 71 -4.814 2.770 -7.707 541 H VAL 72 H VAL 72 -8.233 3.766 -4.013 542 HA VAL 72 HA VAL 72 -8.247 6.673 -4.532 543 HB VAL 72 HB VAL 72 -9.006 5.029 -2.109 544 1HG1 VAL 72 1HG1 VAL 72 -10.517 7.034 -1.596 545 2HG1 VAL 72 2HG1 VAL 72 -8.812 7.365 -1.365 546 3HG1 VAL 72 3HG1 VAL 72 -9.623 7.933 -2.837 547 1HG2 VAL 72 1HG2 VAL 72 -10.826 6.125 -4.281 548 2HG2 VAL 72 2HG2 VAL 72 -10.409 4.414 -4.063 549 3HG2 VAL 72 3HG2 VAL 72 -11.332 5.251 -2.818 550 H THR 73 H THR 73 -5.694 6.016 -4.820 551 HA THR 73 HA THR 73 -4.315 6.281 -2.175 552 HB THR 73 HB THR 73 -3.210 4.560 -4.379 553 HG1 THR 73 1HG THR 73 -5.389 3.817 -2.697 554 1HG2 THR 73 1HG2 THR 73 -3.510 3.967 -1.433 555 2HG2 THR 73 2HG2 THR 73 -2.263 3.371 -2.531 556 3HG2 THR 73 3HG2 THR 73 -2.249 5.070 -2.016 557 H GLU 74 H GLU 74 -2.343 7.452 -2.156 558 HA GLU 74 HA GLU 74 -1.693 8.884 -4.688 559 1HB GLU 74 2HB GLU 74 -1.678 10.990 -3.425 560 2HB GLU 74 3HB GLU 74 -3.267 10.219 -3.451 561 1HG GLU 74 2HG GLU 74 -2.783 9.305 -1.125 562 2HG GLU 74 3HG GLU 74 -1.290 10.250 -1.127 563 H LYS 75 H LYS 75 0.324 9.543 -4.942 564 HA LYS 75 HA LYS 75 2.450 8.211 -3.387 565 1HB LYS 75 2HB LYS 75 3.931 8.798 -5.194 566 2HB LYS 75 3HB LYS 75 2.572 7.795 -5.689 567 1HG LYS 75 2HG LYS 75 1.412 9.800 -6.570 568 2HG LYS 75 3HG LYS 75 2.884 10.729 -6.310 569 1HD LYS 75 2HD LYS 75 2.610 8.147 -7.955 570 2HD LYS 75 3HD LYS 75 2.548 9.756 -8.665 571 1HE LYS 75 2HE LYS 75 4.948 8.525 -7.205 572 2HE LYS 75 3HE LYS 75 4.749 8.639 -8.951 573 1HZ LYS 75 1HZ LYS 75 6.115 10.412 -8.123 574 2HZ LYS 75 2HZ LYS 75 4.727 11.035 -8.746 575 3HZ LYS 75 3HZ LYS 75 4.932 10.940 -7.113 576 H ALA 76 H ALA 76 2.360 9.422 -1.517 577 HA ALA 76 HA ALA 76 2.846 12.381 -1.701 578 1HB ALA 76 1HB ALA 76 1.163 11.590 -0.115 579 2HB ALA 76 2HB ALA 76 2.381 10.596 0.711 580 3HB ALA 76 3HB ALA 76 2.516 12.375 0.715 581 H GLU 77 H GLU 77 4.699 13.342 -0.433 582 HA GLU 77 HA GLU 77 7.108 11.560 -0.560 583 1HB GLU 77 2HB GLU 77 6.896 14.520 -1.253 584 2HB GLU 77 3HB GLU 77 8.379 13.539 -1.088 585 1HG GLU 77 2HG GLU 77 7.703 12.136 -2.970 586 2HG GLU 77 3HG GLU 77 6.257 13.131 -3.194 587 H PHE 78 H PHE 78 7.968 11.207 1.387 588 HA PHE 78 HA PHE 78 7.736 13.305 3.511 589 1HB PHE 78 2HB PHE 78 7.775 10.284 3.663 590 2HB PHE 78 3HB PHE 78 8.178 11.310 5.034 591 HD1 PHE 78 1HD PHE 78 5.459 10.810 2.476 592 HD2 PHE 78 2HD PHE 78 6.476 12.205 6.422 593 HE1 PHE 78 1HE PHE 78 3.132 11.567 2.819 594 HE2 PHE 78 2HE PHE 78 4.165 12.897 6.769 595 HZ PHE 78 HZ PHE 78 2.512 12.727 4.910 596 H ASP 79 H ASP 79 9.600 14.022 4.387 597 HA ASP 79 HA ASP 79 12.191 13.136 3.261 598 1HB ASP 79 2HB ASP 79 11.692 15.539 3.265 599 2HB ASP 79 3HB ASP 79 11.309 15.493 4.991 600 H ILE 80 H ILE 80 13.877 12.242 4.727 601 HA ILE 80 HA ILE 80 12.754 11.284 7.337 602 HB ILE 80 HB ILE 80 14.792 9.977 5.530 603 1HG1 ILE 80 2HG1 ILE 80 11.780 9.495 5.568 604 2HG1 ILE 80 3HG1 ILE 80 12.704 10.238 4.268 605 1HG2 ILE 80 1HG2 ILE 80 14.869 9.210 7.840 606 2HG2 ILE 80 2HG2 ILE 80 13.112 8.969 7.873 607 3HG2 ILE 80 3HG2 ILE 80 14.137 7.937 6.862 608 1HD1 ILE 80 1HD1 ILE 80 12.801 8.290 3.398 609 2HD1 ILE 80 2HD1 ILE 80 14.152 8.034 4.488 610 3HD1 ILE 80 3HD1 ILE 80 12.524 7.427 4.937 611 H GLU 81 H GLU 81 13.851 11.914 9.142 612 HA GLU 81 HA GLU 81 16.691 12.834 8.766 613 1HB GLU 81 2HB GLU 81 16.315 14.528 10.423 614 2HB GLU 81 3HB GLU 81 15.268 14.707 9.009 615 1HG GLU 81 2HG GLU 81 13.436 13.562 10.398 616 2HG GLU 81 3HG GLU 81 14.543 13.847 11.782 617 H GLY 82 H GLY 82 17.674 10.930 9.229 618 1HA GLY 82 2HA GLY 82 18.194 10.331 11.932 619 2HA GLY 82 3HA GLY 82 16.968 9.178 11.380 620 H MET 83 H MET 83 17.565 8.228 9.041 621 HA MET 83 HA MET 83 19.564 6.467 9.403 622 1HB MET 83 2HB MET 83 19.274 5.933 7.008 623 2HB MET 83 3HB MET 83 17.720 6.342 7.764 624 1HG MET 83 2HG MET 83 18.483 8.803 6.800 625 2HG MET 83 3HG MET 83 19.227 7.704 5.630 626 1HE MET 83 1HE MET 83 17.252 9.878 4.738 627 2HE MET 83 2HE MET 83 17.925 8.637 3.648 628 3HE MET 83 3HE MET 83 16.175 8.956 3.656 629 H THR 84 H THR 84 21.728 6.388 9.358 630 HA THR 84 HA THR 84 23.247 7.999 7.434 631 HB THR 84 HB THR 84 22.866 9.546 9.312 632 HG1 THR 84 1HG THR 84 25.026 10.103 9.556 633 1HG2 THR 84 1HG2 THR 84 23.911 9.211 11.487 634 2HG2 THR 84 2HG2 THR 84 22.724 7.935 11.190 635 3HG2 THR 84 3HG2 THR 84 24.462 7.593 11.027 636 H CYS 85 H CYS 85 22.718 5.216 7.668 637 HA CYS 85 HA CYS 85 25.454 4.260 7.535 638 1HB CYS 85 2HB CYS 85 24.977 4.174 10.031 639 2HB CYS 85 3HB CYS 85 23.714 2.977 9.689 640 HG CYS 85 HG CYS 85 25.295 1.263 8.506 641 H ALA 86 H ALA 86 23.430 4.487 5.658 642 HA ALA 86 HA ALA 86 22.010 3.353 4.211 643 1HB ALA 86 1HB ALA 86 24.323 3.297 3.380 644 2HB ALA 86 2HB ALA 86 24.580 1.729 4.178 645 3HB ALA 86 3HB ALA 86 23.407 1.875 2.852 646 H ALA 87 H ALA 87 20.894 2.576 6.452 647 HA ALA 87 HA ALA 87 20.169 -0.258 6.083 648 1HB ALA 87 1HB ALA 87 21.590 0.677 8.613 649 2HB ALA 87 2HB ALA 87 20.817 -0.905 8.375 650 3HB ALA 87 3HB ALA 87 22.229 -0.457 7.402 651 H CYS 88 H CYS 88 19.888 2.681 8.161 652 HA CYS 88 HA CYS 88 17.558 1.928 9.574 653 1HB CYS 88 2HB CYS 88 18.719 4.547 8.671 654 2HB CYS 88 3HB CYS 88 17.347 4.481 9.794 655 HG CYS 88 HG CYS 88 20.164 2.804 10.230 656 H ALA 89 H ALA 89 17.966 3.761 6.508 657 HA ALA 89 HA ALA 89 15.270 4.102 5.752 658 1HB ALA 89 1HB ALA 89 16.153 4.257 3.468 659 2HB ALA 89 2HB ALA 89 17.193 5.130 4.597 660 3HB ALA 89 3HB ALA 89 17.698 3.547 3.984 661 H ASN 90 H ASN 90 17.518 1.387 5.332 662 HA ASN 90 HA ASN 90 15.784 -0.124 3.604 663 1HB ASN 90 2HB ASN 90 18.124 -1.133 5.268 664 2HB ASN 90 3HB ASN 90 17.268 -2.029 4.021 665 1HD2 ASN 90 1HD2 ASN 90 19.050 -2.289 2.593 666 2HD2 ASN 90 2HD2 ASN 90 19.741 -0.910 1.768 667 H ARG 91 H ARG 91 16.203 0.044 7.113 668 HA ARG 91 HA ARG 91 14.355 -2.112 7.708 669 1HB ARG 91 2HB ARG 91 15.906 -0.060 9.216 670 2HB ARG 91 3HB ARG 91 14.363 -0.467 9.952 671 1HG ARG 91 2HG ARG 91 16.273 -2.622 9.019 672 2HG ARG 91 3HG ARG 91 16.429 -1.864 10.610 673 1HD ARG 91 2HD ARG 91 14.292 -2.656 11.357 674 2HD ARG 91 3HD ARG 91 13.740 -2.970 9.723 675 HE ARG 91 HE ARG 91 14.607 -5.035 9.742 676 1HH1 ARG 91 2HH2 ARG 91 16.213 -3.219 12.293 677 2HH1 ARG 91 1HH2 ARG 91 17.054 -4.578 12.970 678 1HH2 ARG 91 2HH1 ARG 91 15.699 -6.875 10.596 679 2HH2 ARG 91 1HH1 ARG 91 16.748 -6.716 11.964 680 H ILE 92 H ILE 92 13.988 1.481 7.704 681 HA ILE 92 HA ILE 92 11.197 1.300 8.354 682 HB ILE 92 HB ILE 92 11.021 3.658 7.535 683 1HG1 ILE 92 2HG1 ILE 92 13.675 4.496 7.502 684 2HG1 ILE 92 3HG1 ILE 92 13.570 3.105 6.429 685 1HG2 ILE 92 1HG2 ILE 92 12.328 4.571 9.372 686 2HG2 ILE 92 2HG2 ILE 92 11.455 3.115 9.869 687 3HG2 ILE 92 3HG2 ILE 92 13.201 3.026 9.535 688 1HD1 ILE 92 1HD1 ILE 92 13.164 5.189 5.206 689 2HD1 ILE 92 2HD1 ILE 92 11.711 4.169 5.189 690 3HD1 ILE 92 3HD1 ILE 92 11.807 5.568 6.290 691 H GLU 93 H GLU 93 12.862 1.207 5.225 692 HA GLU 93 HA GLU 93 10.816 1.420 3.375 693 1HB GLU 93 2HB GLU 93 13.174 1.226 2.776 694 2HB GLU 93 3HB GLU 93 13.281 -0.362 3.538 695 1HG GLU 93 2HG GLU 93 11.662 -1.203 1.799 696 2HG GLU 93 3HG GLU 93 11.805 0.379 1.015 697 H LYS 94 H LYS 94 12.020 -1.601 4.949 698 HA LYS 94 HA LYS 94 9.903 -3.182 3.876 699 1HB LYS 94 2HB LYS 94 12.103 -3.639 5.841 700 2HB LYS 94 3HB LYS 94 10.655 -4.611 6.093 701 1HG LYS 94 2HG LYS 94 11.995 -5.921 4.641 702 2HG LYS 94 3HG LYS 94 10.663 -5.283 3.687 703 1HD LYS 94 2HD LYS 94 12.447 -4.876 2.251 704 2HD LYS 94 3HD LYS 94 12.345 -3.333 3.087 705 1HE LYS 94 2HE LYS 94 14.061 -4.591 4.788 706 2HE LYS 94 3HE LYS 94 14.365 -5.571 3.342 707 1HZ LYS 94 1HZ LYS 94 14.736 -2.705 3.770 708 2HZ LYS 94 2HZ LYS 94 15.868 -3.785 3.239 709 3HZ LYS 94 3HZ LYS 94 14.646 -3.222 2.261 710 H ARG 95 H ARG 95 9.834 -0.939 6.512 711 HA ARG 95 HA ARG 95 7.343 -2.165 7.610 712 1HB ARG 95 2HB ARG 95 9.102 0.073 8.431 713 2HB ARG 95 3HB ARG 95 7.390 0.476 8.462 714 1HG ARG 95 2HG ARG 95 7.941 -0.379 10.582 715 2HG ARG 95 3HG ARG 95 6.917 -1.571 9.790 716 1HD ARG 95 2HD ARG 95 8.983 -2.914 9.178 717 2HD ARG 95 3HD ARG 95 9.973 -1.659 9.894 718 HE ARG 95 HE ARG 95 9.572 -2.449 11.991 719 1HH1 ARG 95 2HH2 ARG 95 7.203 -3.870 9.820 720 2HH1 ARG 95 1HH2 ARG 95 6.480 -4.914 11.007 721 1HH2 ARG 95 2HH1 ARG 95 8.598 -3.743 13.631 722 2HH2 ARG 95 1HH1 ARG 95 7.313 -4.836 13.240 723 H LEU 96 H LEU 96 8.114 0.960 6.115 724 HA LEU 96 HA LEU 96 5.562 1.819 5.566 725 1HB LEU 96 2HB LEU 96 8.159 2.353 4.175 726 2HB LEU 96 3HB LEU 96 6.634 3.062 3.629 727 HG LEU 96 HG LEU 96 6.896 3.354 6.543 728 1HD1 LEU 96 1HD1 LEU 96 9.266 3.472 6.037 729 2HD1 LEU 96 2HD1 LEU 96 8.979 4.710 4.799 730 3HD1 LEU 96 3HD1 LEU 96 8.639 5.058 6.513 731 1HD2 LEU 96 1HD2 LEU 96 6.279 5.660 6.001 732 2HD2 LEU 96 2HD2 LEU 96 6.608 5.386 4.280 733 3HD2 LEU 96 3HD2 LEU 96 5.255 4.548 5.070 734 H ASN 97 H ASN 97 7.597 -0.179 3.430 735 HA ASN 97 HA ASN 97 6.302 -0.624 1.141 736 1HB ASN 97 2HB ASN 97 7.677 -2.481 3.073 737 2HB ASN 97 3HB ASN 97 6.683 -3.266 1.863 738 1HD2 ASN 97 1HD2 ASN 97 6.984 -1.974 -0.484 739 2HD2 ASN 97 2HD2 ASN 97 8.677 -2.053 -0.944 740 H LYS 98 H LYS 98 5.156 -2.008 4.234 741 HA LYS 98 HA LYS 98 2.474 -2.028 3.288 742 1HB LYS 98 2HB LYS 98 1.855 -4.254 3.123 743 2HB LYS 98 3HB LYS 98 3.243 -4.037 2.088 744 1HG LYS 98 2HG LYS 98 4.090 -5.893 2.999 745 2HG LYS 98 3HG LYS 98 4.471 -4.883 4.399 746 1HD LYS 98 2HD LYS 98 1.879 -5.465 4.996 747 2HD LYS 98 3HD LYS 98 2.181 -6.870 4.001 748 1HE LYS 98 2HE LYS 98 3.939 -6.020 6.357 749 2HE LYS 98 3HE LYS 98 2.481 -6.986 6.566 750 1HZ LYS 98 1HZ LYS 98 3.425 -8.714 5.204 751 2HZ LYS 98 2HZ LYS 98 4.807 -7.847 4.975 752 3HZ LYS 98 3HZ LYS 98 4.397 -8.393 6.469 753 H ILE 99 H ILE 99 2.792 -0.545 5.108 754 HA ILE 99 HA ILE 99 2.652 -1.707 7.795 755 HB ILE 99 HB ILE 99 1.788 0.961 6.624 756 1HG1 ILE 99 2HG1 ILE 99 4.204 0.621 6.855 757 2HG1 ILE 99 3HG1 ILE 99 3.596 1.890 7.915 758 1HG2 ILE 99 1HG2 ILE 99 1.494 1.668 9.047 759 2HG2 ILE 99 2HG2 ILE 99 0.214 0.664 8.370 760 3HG2 ILE 99 3HG2 ILE 99 1.412 -0.060 9.459 761 1HD1 ILE 99 1HD1 ILE 99 4.492 -0.909 8.722 762 2HD1 ILE 99 2HD1 ILE 99 5.211 0.648 9.148 763 3HD1 ILE 99 3HD1 ILE 99 3.647 0.204 9.827 764 H GLU 100 H GLU 100 0.073 -0.243 5.813 765 HA GLU 100 HA GLU 100 -1.578 -2.673 6.144 766 1HB GLU 100 2HB GLU 100 -2.399 0.106 7.113 767 2HB GLU 100 3HB GLU 100 -3.545 -1.212 6.758 768 1HG GLU 100 2HG GLU 100 -2.248 -2.620 8.438 769 2HG GLU 100 3HG GLU 100 -1.427 -1.126 8.928 770 H GLY 101 H GLY 101 -3.071 0.301 5.157 771 1HA GLY 101 2HA GLY 101 -3.562 -0.816 2.537 772 2HA GLY 101 3HA GLY 101 -4.190 0.705 3.202 773 H VAL 102 H VAL 102 -0.973 -0.628 2.462 774 HA VAL 102 HA VAL 102 -0.185 1.914 1.086 775 HB VAL 102 HB VAL 102 1.609 -0.176 2.330 776 1HG1 VAL 102 1HG1 VAL 102 3.206 1.887 2.102 777 2HG1 VAL 102 2HG1 VAL 102 2.799 0.981 0.636 778 3HG1 VAL 102 3HG1 VAL 102 2.012 2.529 1.004 779 1HG2 VAL 102 1HG2 VAL 102 0.808 2.543 3.450 780 2HG2 VAL 102 2HG2 VAL 102 0.258 0.985 4.084 781 3HG2 VAL 102 3HG2 VAL 102 1.974 1.413 4.148 782 H ALA 103 H ALA 103 0.077 1.855 -1.046 783 HA ALA 103 HA ALA 103 -0.105 -0.678 -2.496 784 1HB ALA 103 1HB ALA 103 0.390 0.767 -4.490 785 2HB ALA 103 2HB ALA 103 -1.092 1.186 -3.627 786 3HB ALA 103 3HB ALA 103 0.359 2.173 -3.414 787 H ASN 104 H ASN 104 2.321 1.920 -1.849 788 HA ASN 104 HA ASN 104 4.538 0.002 -1.970 789 1HB ASN 104 2HB ASN 104 4.450 2.266 -4.020 790 2HB ASN 104 3HB ASN 104 5.779 1.149 -3.753 791 1HD2 ASN 104 1HD2 ASN 104 3.065 1.766 -5.660 792 2HD2 ASN 104 2HD2 ASN 104 2.940 0.151 -6.368 793 H ALA 105 H ALA 105 6.662 1.257 -1.722 794 HA ALA 105 HA ALA 105 6.496 3.954 -0.763 795 1HB ALA 105 1HB ALA 105 7.207 3.608 1.539 796 2HB ALA 105 2HB ALA 105 5.610 2.891 1.264 797 3HB ALA 105 3HB ALA 105 7.046 1.848 1.349 798 HA PRO 106 HA PRO 106 10.714 2.468 -2.086 799 1HB PRO 106 2HB PRO 106 11.202 4.170 -4.166 800 2HB PRO 106 3HB PRO 106 10.280 2.647 -4.330 801 1HG PRO 106 2HG PRO 106 9.200 5.437 -3.980 802 2HG PRO 106 3HG PRO 106 8.680 4.219 -5.175 803 1HD PRO 106 2HD PRO 106 7.313 4.609 -2.847 804 2HD PRO 106 3HD PRO 106 7.510 2.976 -3.531 805 H VAL 107 H VAL 107 12.364 3.206 -0.917 806 HA VAL 107 HA VAL 107 12.419 5.951 0.141 807 HB VAL 107 HB VAL 107 14.218 5.138 1.571 808 1HG1 VAL 107 1HG1 VAL 107 11.881 4.805 2.324 809 2HG1 VAL 107 2HG1 VAL 107 11.870 3.188 1.600 810 3HG1 VAL 107 3HG1 VAL 107 12.965 3.565 2.946 811 1HG2 VAL 107 1HG2 VAL 107 15.290 3.469 0.075 812 2HG2 VAL 107 2HG2 VAL 107 14.879 2.773 1.645 813 3HG2 VAL 107 3HG2 VAL 107 13.871 2.414 0.237 814 H ASN 108 H ASN 108 14.310 7.339 -0.144 815 HA ASN 108 HA ASN 108 16.166 6.582 -2.365 816 1HB ASN 108 2HB ASN 108 14.737 9.207 -1.847 817 2HB ASN 108 3HB ASN 108 16.130 9.032 -2.916 818 1HD2 ASN 108 1HD2 ASN 108 15.903 7.254 -4.697 819 2HD2 ASN 108 2HD2 ASN 108 14.326 7.185 -5.456 820 H PHE 109 H PHE 109 18.199 6.718 -1.803 821 HA PHE 109 HA PHE 109 18.983 8.028 0.711 822 1HB PHE 109 2HB PHE 109 19.666 5.609 -0.524 823 2HB PHE 109 3HB PHE 109 21.058 6.624 -0.871 824 HD1 PHE 109 1HD PHE 109 22.715 6.873 0.852 825 HD2 PHE 109 2HD PHE 109 18.696 5.729 1.900 826 HE1 PHE 109 1HE PHE 109 23.360 6.783 3.230 827 HE2 PHE 109 2HE PHE 109 19.294 5.795 4.260 828 HZ PHE 109 HZ PHE 109 21.653 6.275 4.968 829 H ALA 110 H ALA 110 18.703 9.137 -2.376 830 HA ALA 110 HA ALA 110 21.208 10.751 -2.387 831 1HB ALA 110 1HB ALA 110 20.416 11.491 -4.589 832 2HB ALA 110 2HB ALA 110 20.501 9.720 -4.505 833 3HB ALA 110 3HB ALA 110 18.927 10.542 -4.401 834 H LEU 111 H LEU 111 17.662 11.043 -2.304 835 HA LEU 111 HA LEU 111 17.756 13.933 -1.812 836 1HB LEU 111 2HB LEU 111 15.357 12.102 -1.720 837 2HB LEU 111 3HB LEU 111 15.392 13.848 -2.009 838 HG LEU 111 HG LEU 111 16.304 11.617 -3.882 839 1HD1 LEU 111 1HD1 LEU 111 14.075 13.675 -4.121 840 2HD1 LEU 111 2HD1 LEU 111 14.476 12.406 -5.298 841 3HD1 LEU 111 3HD1 LEU 111 13.864 11.964 -3.694 842 1HD2 LEU 111 1HD2 LEU 111 16.722 13.416 -5.552 843 2HD2 LEU 111 2HD2 LEU 111 16.430 14.645 -4.304 844 3HD2 LEU 111 3HD2 LEU 111 17.828 13.555 -4.182 845 H GLU 112 H GLU 112 17.577 10.967 0.037 846 HA GLU 112 HA GLU 112 17.353 10.447 2.160 847 1HB GLU 112 2HB GLU 112 17.673 13.414 2.794 848 2HB GLU 112 3HB GLU 112 17.617 12.130 3.987 849 1HG GLU 112 2HG GLU 112 19.597 11.060 3.063 850 2HG GLU 112 3HG GLU 112 19.661 12.222 1.721 851 H THR 113 H THR 113 15.190 10.406 0.612 852 HA THR 113 HA THR 113 12.980 11.230 2.387 853 HB THR 113 HB THR 113 11.718 12.347 0.745 854 HG1 THR 113 1HG THR 113 13.629 11.337 -1.037 855 1HG2 THR 113 1HG2 THR 113 13.701 13.682 1.757 856 2HG2 THR 113 2HG2 THR 113 14.513 13.384 0.219 857 3HG2 THR 113 3HG2 THR 113 13.035 14.315 0.257 858 H VAL 114 H VAL 114 10.951 10.163 1.785 859 HA VAL 114 HA VAL 114 11.232 7.709 0.178 860 HB VAL 114 HB VAL 114 11.361 6.953 2.469 861 1HG1 VAL 114 1HG1 VAL 114 9.723 7.372 4.184 862 2HG1 VAL 114 2HG1 VAL 114 10.287 8.945 3.609 863 3HG1 VAL 114 3HG1 VAL 114 8.714 8.312 3.078 864 1HG2 VAL 114 1HG2 VAL 114 8.516 6.460 1.517 865 2HG2 VAL 114 2HG2 VAL 114 9.952 5.621 0.896 866 3HG2 VAL 114 3HG2 VAL 114 9.482 5.441 2.589 867 H THR 115 H THR 115 9.665 7.465 -1.264 868 HA THR 115 HA THR 115 7.376 9.388 -1.235 869 HB THR 115 HB THR 115 8.217 7.250 -3.218 870 HG1 THR 115 1HG THR 115 8.800 9.062 -4.457 871 1HG2 THR 115 1HG2 THR 115 6.006 9.350 -3.369 872 2HG2 THR 115 2HG2 THR 115 6.513 8.278 -4.695 873 3HG2 THR 115 3HG2 THR 115 5.772 7.592 -3.244 874 H VAL 116 H VAL 116 5.477 8.641 -0.333 875 HA VAL 116 HA VAL 116 5.236 5.717 0.288 876 HB VAL 116 HB VAL 116 5.459 7.097 2.303 877 1HG1 VAL 116 1HG1 VAL 116 2.776 8.341 1.597 878 2HG1 VAL 116 2HG1 VAL 116 3.749 8.611 3.044 879 3HG1 VAL 116 3HG1 VAL 116 4.328 9.170 1.460 880 1HG2 VAL 116 1HG2 VAL 116 3.441 6.156 3.430 881 2HG2 VAL 116 2HG2 VAL 116 2.787 5.728 1.839 882 3HG2 VAL 116 3HG2 VAL 116 4.291 4.984 2.408 883 H GLU 117 H GLU 117 3.798 4.737 -1.005 884 HA GLU 117 HA GLU 117 1.670 6.369 -2.300 885 1HB GLU 117 2HB GLU 117 3.245 3.924 -3.104 886 2HB GLU 117 3HB GLU 117 1.541 3.991 -3.564 887 1HG GLU 117 2HG GLU 117 1.800 6.076 -4.665 888 2HG GLU 117 3HG GLU 117 3.550 6.117 -4.285 889 H TYR 118 H TYR 118 0.119 6.334 -0.595 890 HA TYR 118 HA TYR 118 -0.915 3.675 0.111 891 1HB TYR 118 2HB TYR 118 -0.685 3.839 2.407 892 2HB TYR 118 3HB TYR 118 0.902 4.356 1.845 893 HD1 TYR 118 HD1 TYR 118 0.878 7.127 1.373 894 HD2 TYR 118 HD2 TYR 118 -1.656 5.011 4.133 895 HE1 TYR 118 HE1 TYR 118 0.721 9.152 2.767 896 HE2 TYR 118 HE2 TYR 118 -1.799 7.037 5.545 897 HH TYR 118 HH TYR 118 -0.129 10.073 4.679 898 H ASN 119 H ASN 119 -2.853 3.737 1.394 899 HA ASN 119 HA ASN 119 -4.630 5.599 0.054 900 1HB ASN 119 2HB ASN 119 -4.813 2.951 0.645 901 2HB ASN 119 3HB ASN 119 -5.730 3.604 1.999 902 1HD2 ASN 119 1HD2 ASN 119 -7.866 4.332 1.504 903 2HD2 ASN 119 2HD2 ASN 119 -8.388 4.755 -0.123 904 HA PRO 120 HA PRO 120 -4.103 8.044 3.815 905 1HB PRO 120 2HB PRO 120 -5.025 10.449 2.993 906 2HB PRO 120 3HB PRO 120 -3.594 9.729 2.205 907 1HG PRO 120 2HG PRO 120 -6.478 9.542 1.264 908 2HG PRO 120 3HG PRO 120 -5.075 10.123 0.329 909 1HD PRO 120 2HD PRO 120 -5.937 7.538 0.200 910 2HD PRO 120 3HD PRO 120 -4.200 7.945 0.114 911 H LYS 121 H LYS 121 -6.749 6.464 2.917 912 HA LYS 121 HA LYS 121 -8.634 7.912 4.755 913 1HB LYS 121 2HB LYS 121 -9.282 5.527 3.011 914 2HB LYS 121 3HB LYS 121 -10.382 6.604 3.851 915 1HG LYS 121 2HG LYS 121 -8.598 7.262 1.454 916 2HG LYS 121 3HG LYS 121 -10.339 6.994 1.468 917 1HD LYS 121 2HD LYS 121 -10.495 9.007 3.105 918 2HD LYS 121 3HD LYS 121 -8.785 9.287 2.777 919 1HE LYS 121 2HE LYS 121 -10.058 10.752 1.350 920 2HE LYS 121 3HE LYS 121 -9.277 9.527 0.340 921 1HZ LYS 121 1HZ LYS 121 -11.387 8.346 0.274 922 2HZ LYS 121 2HZ LYS 121 -12.093 9.481 1.230 923 3HZ LYS 121 3HZ LYS 121 -11.571 9.883 -0.276 924 H GLU 122 H GLU 122 -7.576 4.559 4.024 925 HA GLU 122 HA GLU 122 -8.219 3.368 6.423 926 1HB GLU 122 2HB GLU 122 -6.124 2.849 4.291 927 2HB GLU 122 3HB GLU 122 -6.237 1.794 5.714 928 1HG GLU 122 2HG GLU 122 -7.486 0.967 3.723 929 2HG GLU 122 3HG GLU 122 -8.494 1.142 5.152 930 H ALA 123 H ALA 123 -5.087 4.914 5.565 931 HA ALA 123 HA ALA 123 -4.441 5.096 8.485 932 1HB ALA 123 1HB ALA 123 -2.506 4.529 6.211 933 2HB ALA 123 2HB ALA 123 -2.066 4.796 7.911 934 3HB ALA 123 3HB ALA 123 -3.016 3.372 7.457 935 H SER 124 H SER 124 -2.526 6.853 8.593 936 HA SER 124 HA SER 124 -2.763 9.054 6.711 937 1HB SER 124 2HB SER 124 -3.932 9.270 9.526 938 2HB SER 124 3HB SER 124 -3.523 10.665 8.515 939 HG SER 124 HG SER 124 -5.095 8.823 7.216 940 H VAL 125 H VAL 125 -1.212 10.748 7.325 941 HA VAL 125 HA VAL 125 1.255 10.000 7.922 942 HB VAL 125 HB VAL 125 0.161 12.667 8.951 943 1HG1 VAL 125 1HG1 VAL 125 2.402 12.294 9.631 944 2HG1 VAL 125 2HG1 VAL 125 2.870 11.690 8.040 945 3HG1 VAL 125 3HG1 VAL 125 2.457 13.417 8.276 946 1HG2 VAL 125 1HG2 VAL 125 0.853 11.751 6.127 947 2HG2 VAL 125 2HG2 VAL 125 -0.660 12.499 6.676 948 3HG2 VAL 125 3HG2 VAL 125 0.807 13.466 6.604 949 H SER 126 H SER 126 -1.048 10.971 10.542 950 HA SER 126 HA SER 126 0.665 10.788 12.723 951 1HB SER 126 2HB SER 126 -2.227 9.850 12.601 952 2HB SER 126 3HB SER 126 -1.346 10.447 14.023 953 HG SER 126 HG SER 126 -2.616 12.101 12.978 954 H ASP 127 H ASP 127 -0.956 8.094 10.995 955 HA ASP 127 HA ASP 127 -0.271 6.040 12.900 956 1HB ASP 127 2HB ASP 127 -2.069 5.704 11.261 957 2HB ASP 127 3HB ASP 127 -0.923 5.914 9.919 958 H LEU 128 H LEU 128 1.115 7.228 9.848 959 HA LEU 128 HA LEU 128 3.374 5.494 9.779 960 1HB LEU 128 2HB LEU 128 2.899 8.228 8.564 961 2HB LEU 128 3HB LEU 128 4.348 7.284 8.258 962 HG LEU 128 HG LEU 128 1.508 6.369 7.687 963 1HD1 LEU 128 1HD1 LEU 128 2.110 6.685 5.334 964 2HD1 LEU 128 2HD1 LEU 128 2.329 8.205 6.223 965 3HD1 LEU 128 3HD1 LEU 128 3.747 7.212 5.807 966 1HD2 LEU 128 1HD2 LEU 128 2.765 4.587 6.296 967 2HD2 LEU 128 2HD2 LEU 128 4.196 5.011 7.259 968 3HD2 LEU 128 3HD2 LEU 128 2.741 4.352 8.040 969 H LYS 129 H LYS 129 2.975 8.703 11.267 970 HA LYS 129 HA LYS 129 5.706 8.898 12.140 971 1HB LYS 129 2HB LYS 129 3.177 10.264 13.080 972 2HB LYS 129 3HB LYS 129 4.778 10.609 13.741 973 1HG LYS 129 2HG LYS 129 5.540 10.888 11.267 974 2HG LYS 129 3HG LYS 129 3.853 11.057 10.862 975 1HD LYS 129 2HD LYS 129 5.379 12.786 12.886 976 2HD LYS 129 3HD LYS 129 5.293 13.140 11.163 977 1HE LYS 129 2HE LYS 129 3.759 14.507 12.568 978 2HE LYS 129 3HE LYS 129 3.032 13.710 11.184 979 1HZ LYS 129 1HZ LYS 129 2.228 12.002 12.653 980 2HZ LYS 129 2HZ LYS 129 2.888 12.735 13.967 981 3HZ LYS 129 3HZ LYS 129 1.663 13.467 13.139 982 H GLU 130 H GLU 130 2.787 7.448 13.639 983 HA GLU 130 HA GLU 130 4.176 6.668 16.062 984 1HB GLU 130 2HB GLU 130 1.518 6.399 14.907 985 2HB GLU 130 3HB GLU 130 2.041 4.829 15.481 986 1HG GLU 130 2HG GLU 130 2.453 7.193 17.335 987 2HG GLU 130 3HG GLU 130 0.807 6.635 17.044 988 H ALA 131 H ALA 131 3.687 5.069 12.921 989 HA ALA 131 HA ALA 131 4.867 2.588 13.615 990 1HB ALA 131 1HB ALA 131 4.812 3.931 10.882 991 2HB ALA 131 2HB ALA 131 5.041 2.206 11.221 992 3HB ALA 131 3HB ALA 131 3.487 2.981 11.587 993 H VAL 132 H VAL 132 6.361 5.551 12.119 994 HA VAL 132 HA VAL 132 8.924 4.292 11.998 995 HB VAL 132 HB VAL 132 7.959 6.166 10.540 996 1HG1 VAL 132 1HG1 VAL 132 7.449 7.630 12.515 997 2HG1 VAL 132 2HG1 VAL 132 9.183 7.954 12.677 998 3HG1 VAL 132 3HG1 VAL 132 8.290 8.438 11.218 999 1HG2 VAL 132 1HG2 VAL 132 10.807 6.250 11.584 1000 2HG2 VAL 132 2HG2 VAL 132 10.161 5.269 10.245 1001 3HG2 VAL 132 3HG2 VAL 132 10.246 7.026 10.086 1002 H ASP 133 H ASP 133 7.245 6.314 14.436 1003 HA ASP 133 HA ASP 133 9.330 6.864 16.156 1004 1HB ASP 133 2HB ASP 133 7.023 7.550 16.595 1005 2HB ASP 133 3HB ASP 133 6.523 5.890 16.848 1006 H LYS 134 H LYS 134 7.390 3.880 15.937 1007 HA LYS 134 HA LYS 134 8.764 2.331 17.882 1008 1HB LYS 134 2HB LYS 134 6.893 1.810 15.605 1009 2HB LYS 134 3HB LYS 134 7.976 0.506 16.003 1010 1HG LYS 134 2HG LYS 134 6.030 0.073 17.168 1011 2HG LYS 134 3HG LYS 134 7.161 0.612 18.406 1012 1HD LYS 134 2HD LYS 134 5.096 2.437 17.068 1013 2HD LYS 134 3HD LYS 134 4.710 1.461 18.484 1014 1HE LYS 134 2HE LYS 134 6.407 2.614 19.846 1015 2HE LYS 134 3HE LYS 134 6.947 3.525 18.443 1016 1HZ LYS 134 1HZ LYS 134 5.665 4.990 19.374 1017 2HZ LYS 134 2HZ LYS 134 4.575 4.345 18.321 1018 3HZ LYS 134 3HZ LYS 134 4.471 3.936 19.876 1019 H LEU 135 H LEU 135 9.716 3.078 14.565 1020 HA LEU 135 HA LEU 135 11.930 1.116 14.583 1021 1HB LEU 135 2HB LEU 135 10.845 3.157 12.639 1022 2HB LEU 135 3HB LEU 135 12.469 2.541 12.442 1023 HG LEU 135 HG LEU 135 10.602 1.399 11.137 1024 1HD1 LEU 135 1HD1 LEU 135 11.701 -0.742 11.216 1025 2HD1 LEU 135 2HD1 LEU 135 12.906 0.541 11.379 1026 3HD1 LEU 135 3HD1 LEU 135 12.407 -0.387 12.810 1027 1HD2 LEU 135 1HD2 LEU 135 8.983 1.130 12.979 1028 2HD2 LEU 135 2HD2 LEU 135 9.400 -0.401 12.220 1029 3HD2 LEU 135 3HD2 LEU 135 10.080 -0.009 13.794 1030 H GLY 136 H GLY 136 11.406 4.504 15.377 1031 1HA GLY 136 2HA GLY 136 12.725 5.685 16.865 1032 2HA GLY 136 3HA GLY 136 14.064 4.551 16.653 1033 H TYR 137 H TYR 137 12.188 6.446 14.253 1034 HA TYR 137 HA TYR 137 14.424 8.317 13.838 1035 1HB TYR 137 2HB TYR 137 13.046 7.098 11.433 1036 2HB TYR 137 3HB TYR 137 14.496 8.091 11.475 1037 HD1 TYR 137 HD1 TYR 137 13.162 4.749 11.490 1038 HD2 TYR 137 HD2 TYR 137 16.588 7.035 12.718 1039 HE1 TYR 137 HE1 TYR 137 14.533 2.663 11.571 1040 HE2 TYR 137 HE2 TYR 137 17.859 4.944 13.050 1041 HH TYR 137 HH TYR 137 17.915 2.664 12.581 1042 H LYS 138 H LYS 138 13.218 10.005 11.932 1043 HA LYS 138 HA LYS 138 10.353 10.071 12.550 1044 1HB LYS 138 2HB LYS 138 10.450 12.525 12.975 1045 2HB LYS 138 3HB LYS 138 11.001 11.518 14.309 1046 1HG LYS 138 2HG LYS 138 12.973 12.554 12.300 1047 2HG LYS 138 3HG LYS 138 12.331 13.680 13.488 1048 1HD LYS 138 2HD LYS 138 13.099 11.551 15.097 1049 2HD LYS 138 3HD LYS 138 14.281 11.436 13.780 1050 1HE LYS 138 2HE LYS 138 14.812 13.890 14.111 1051 2HE LYS 138 3HE LYS 138 13.688 13.912 15.480 1052 1HZ LYS 138 1HZ LYS 138 16.146 12.306 15.274 1053 2HZ LYS 138 2HZ LYS 138 15.920 13.634 16.216 1054 3HZ LYS 138 3HZ LYS 138 15.092 12.251 16.542 1055 H LEU 139 H LEU 139 9.181 11.359 11.125 1056 HA LEU 139 HA LEU 139 10.424 11.556 8.430 1057 1HB LEU 139 2HB LEU 139 7.604 10.834 9.228 1058 2HB LEU 139 3HB LEU 139 8.184 11.053 7.569 1059 HG LEU 139 HG LEU 139 9.350 8.993 9.477 1060 1HD1 LEU 139 1HD1 LEU 139 7.967 7.365 8.214 1061 2HD1 LEU 139 2HD1 LEU 139 6.952 8.568 9.042 1062 3HD1 LEU 139 3HD1 LEU 139 7.258 8.717 7.294 1063 1HD2 LEU 139 1HD2 LEU 139 10.185 7.925 7.440 1064 2HD2 LEU 139 2HD2 LEU 139 9.576 9.288 6.470 1065 3HD2 LEU 139 3HD2 LEU 139 10.869 9.538 7.671 1066 H LYS 140 H LYS 140 10.113 13.423 7.394 1067 HA LYS 140 HA LYS 140 8.408 15.598 8.540 1068 1HB LYS 140 2HB LYS 140 11.155 15.535 7.294 1069 2HB LYS 140 3HB LYS 140 10.135 16.923 6.907 1070 1HG LYS 140 2HG LYS 140 10.524 15.987 9.775 1071 2HG LYS 140 3HG LYS 140 11.715 17.018 9.006 1072 1HD LYS 140 2HD LYS 140 8.914 17.968 8.609 1073 2HD LYS 140 3HD LYS 140 9.403 17.895 10.310 1074 1HE LYS 140 2HE LYS 140 11.291 19.335 9.943 1075 2HE LYS 140 3HE LYS 140 11.141 19.230 8.181 1076 1HZ LYS 140 1HZ LYS 140 9.123 20.476 8.286 1077 2HZ LYS 140 2HZ LYS 140 9.142 20.507 9.932 1078 3HZ LYS 140 3HZ LYS 140 10.297 21.300 9.077 1079 H LEU 141 H LEU 141 7.368 16.916 6.844 1080 HA LEU 141 HA LEU 141 6.468 15.240 4.561 1081 1HB LEU 141 2HB LEU 141 5.347 17.820 5.765 1082 2HB LEU 141 3HB LEU 141 4.659 16.846 4.467 1083 HG LEU 141 HG LEU 141 4.820 14.891 6.200 1084 1HD1 LEU 141 1HD1 LEU 141 5.865 15.820 8.128 1085 2HD1 LEU 141 2HD1 LEU 141 4.900 17.302 8.041 1086 3HD1 LEU 141 3HD1 LEU 141 4.159 15.772 8.538 1087 1HD2 LEU 141 1HD2 LEU 141 2.521 15.276 6.893 1088 2HD2 LEU 141 2HD2 LEU 141 2.661 16.990 6.498 1089 3HD2 LEU 141 3HD2 LEU 141 2.730 15.766 5.209 1090 H LYS 142 H LYS 142 7.046 15.822 2.410 1091 HA LYS 142 HA LYS 142 8.936 18.074 2.157 1092 1HB LYS 142 2HB LYS 142 7.746 16.113 0.181 1093 2HB LYS 142 3HB LYS 142 8.762 17.470 -0.269 1094 1HG LYS 142 2HG LYS 142 10.542 16.516 1.400 1095 2HG LYS 142 3HG LYS 142 9.520 15.061 1.410 1096 1HD LYS 142 2HD LYS 142 11.031 14.631 -0.399 1097 2HD LYS 142 3HD LYS 142 9.546 15.212 -1.098 1098 1HE LYS 142 2HE LYS 142 10.798 17.605 -0.926 1099 2HE LYS 142 3HE LYS 142 12.198 16.559 -1.083 1100 1HZ LYS 142 1HZ LYS 142 11.102 17.356 -3.209 1101 2HZ LYS 142 2HZ LYS 142 11.347 15.727 -3.110 1102 3HZ LYS 142 3HZ LYS 142 9.861 16.279 -2.899 1103 H GLY 143 H GLY 143 7.285 19.586 3.034 1104 1HA GLY 143 2HA GLY 143 6.319 21.623 2.389 1105 2HA GLY 143 3HA GLY 143 6.192 21.055 0.721 1106 H GLU 144 H GLU 144 4.811 18.496 2.080 1107 HA GLU 144 HA GLU 144 2.129 19.370 1.674 1108 1HB GLU 144 2HB GLU 144 2.953 16.743 2.960 1109 2HB GLU 144 3HB GLU 144 1.519 17.134 2.014 1110 1HG GLU 144 2HG GLU 144 3.126 17.562 0.037 1111 2HG GLU 144 3HG GLU 144 4.402 16.832 1.038 1112 H GLN 145 H GLN 145 2.642 21.133 3.351 1113 HA GLN 145 HA GLN 145 1.226 21.060 5.784 1114 1HB GLN 145 2HB GLN 145 4.054 20.103 5.897 1115 2HB GLN 145 3HB GLN 145 3.720 21.429 6.994 1116 1HG GLN 145 2HG GLN 145 1.748 19.146 7.013 1117 2HG GLN 145 3HG GLN 145 3.361 18.888 7.677 1118 1HE2 GLN 145 1HE2 GLN 145 0.552 21.146 7.955 1119 2HE2 GLN 145 2HE2 GLN 145 0.864 21.486 9.646 1120 H ASP 146 H ASP 146 4.100 22.282 4.069 1121 HA ASP 146 HA ASP 146 3.624 25.022 5.118 1122 1HB ASP 146 2HB ASP 146 6.203 23.612 4.275 1123 2HB ASP 146 3HB ASP 146 6.084 25.280 4.845 1124 H SER 147 H SER 147 3.505 23.224 2.343 1125 HA SER 147 HA SER 147 3.346 25.577 0.571 1126 1HB SER 147 2HB SER 147 5.760 24.934 0.573 1127 2HB SER 147 3HB SER 147 5.301 23.282 0.105 1128 HG SER 147 HG SER 147 4.284 24.269 -1.753 1129 H ILE 148 H ILE 148 1.479 23.579 1.680 1130 HA ILE 148 HA ILE 148 0.681 21.682 -0.283 1131 HB ILE 148 HB ILE 148 -1.010 23.311 1.666 1132 1HG1 ILE 148 2HG1 ILE 148 0.027 20.449 1.852 1133 2HG1 ILE 148 3HG1 ILE 148 0.767 21.851 2.643 1134 1HG2 ILE 148 1HG2 ILE 148 -1.744 20.791 0.103 1135 2HG2 ILE 148 2HG2 ILE 148 -2.755 21.579 1.332 1136 3HG2 ILE 148 3HG2 ILE 148 -2.425 22.407 -0.175 1137 1HD1 ILE 148 1HD1 ILE 148 -0.577 20.668 4.250 1138 2HD1 ILE 148 2HD1 ILE 148 -1.306 22.252 3.926 1139 3HD1 ILE 148 3HD1 ILE 148 -2.010 20.770 3.232 1140 H GLU 149 H GLU 149 -0.507 25.032 0.222 1141 HA GLU 149 HA GLU 149 -1.896 25.070 -2.333 1142 1HB GLU 149 2HB GLU 149 -1.398 27.203 -0.209 1143 2HB GLU 149 3HB GLU 149 -2.462 27.398 -1.609 1144 1HG GLU 149 2HG GLU 149 -3.889 25.551 -0.848 1145 2HG GLU 149 3HG GLU 149 -2.817 25.224 0.522 1146 H GLY 150 H GLY 150 -1.400 26.464 -4.076 1147 1HA GLY 150 2HA GLY 150 1.486 27.294 -4.307 1148 2HA GLY 150 3HA GLY 150 0.614 26.357 -5.520 1149 H ARG 151 H ARG 151 -1.495 28.717 -4.181 1150 HA ARG 151 HA ARG 151 -0.938 30.609 -6.406 1151 1HB ARG 151 2HB ARG 151 -2.966 29.230 -6.837 1152 2HB ARG 151 3HB ARG 151 -3.665 29.769 -5.302 1153 1HG ARG 151 2HG ARG 151 -2.713 31.826 -7.303 1154 2HG ARG 151 3HG ARG 151 -4.208 30.951 -7.644 1155 1HD ARG 151 2HD ARG 151 -5.252 31.777 -5.576 1156 2HD ARG 151 3HD ARG 151 -3.736 32.447 -5.028 1157 HE ARG 151 HE ARG 151 -3.928 34.274 -6.283 1158 1HH1 ARG 151 2HH2 ARG 151 -6.226 31.904 -7.460 1159 2HH1 ARG 151 1HH2 ARG 151 -7.042 32.956 -8.580 1160 1HH2 ARG 151 2HH1 ARG 151 -4.952 35.740 -7.769 1161 2HH2 ARG 151 1HH1 ARG 151 -6.274 35.211 -8.759 Start of MODEL 26 1 1H MET 1 H1 MET 1 6.806 -22.906 8.779 2 2H MET 1 H2 MET 1 8.050 -22.805 7.701 3 3H MET 1 H3 MET 1 6.605 -22.085 7.371 4 HA MET 1 HA MET 1 6.821 -24.129 6.111 5 1HB MET 1 2HB MET 1 7.145 -25.279 8.910 6 2HB MET 1 3HB MET 1 6.698 -26.262 7.511 7 1HG MET 1 2HG MET 1 8.757 -25.829 6.391 8 2HG MET 1 3HG MET 1 9.253 -24.621 7.589 9 1HE MET 1 1HE MET 1 11.793 -27.559 8.119 10 2HE MET 1 2HE MET 1 11.032 -27.144 6.566 11 3HE MET 1 3HE MET 1 11.598 -25.852 7.657 12 H LEU 2 H LEU 2 4.811 -22.839 5.797 13 HA LEU 2 HA LEU 2 2.457 -24.270 6.244 14 1HB LEU 2 2HB LEU 2 3.148 -22.343 8.416 15 2HB LEU 2 3HB LEU 2 1.582 -22.029 7.696 16 HG LEU 2 HG LEU 2 1.991 -24.906 8.312 17 1HD1 LEU 2 1HD1 LEU 2 3.197 -23.959 10.232 18 2HD1 LEU 2 2HD1 LEU 2 1.829 -22.876 10.575 19 3HD1 LEU 2 3HD1 LEU 2 1.637 -24.638 10.722 20 1HD2 LEU 2 1HD2 LEU 2 -0.190 -22.905 9.037 21 2HD2 LEU 2 2HD2 LEU 2 -0.156 -23.879 7.551 22 3HD2 LEU 2 3HD2 LEU 2 -0.291 -24.674 9.132 23 H SER 3 H SER 3 3.098 -20.733 6.444 24 HA SER 3 HA SER 3 2.971 -20.132 3.677 25 1HB SER 3 2HB SER 3 0.682 -18.986 3.907 26 2HB SER 3 3HB SER 3 0.638 -20.744 3.725 27 HG SER 3 HG SER 3 -0.722 -20.022 5.420 28 H GLU 4 H GLU 4 2.849 -17.618 3.540 29 HA GLU 4 HA GLU 4 3.257 -16.272 6.136 30 1HB GLU 4 2HB GLU 4 5.467 -17.188 5.081 31 2HB GLU 4 3HB GLU 4 5.300 -15.866 3.920 32 1HG GLU 4 2HG GLU 4 5.404 -14.234 5.743 33 2HG GLU 4 3HG GLU 4 5.267 -15.517 6.963 34 H GLN 5 H GLN 5 0.996 -16.102 4.957 35 HA GLN 5 HA GLN 5 0.790 -14.323 2.738 36 1HB GLN 5 2HB GLN 5 -1.306 -14.981 4.886 37 2HB GLN 5 3HB GLN 5 -1.623 -14.235 3.313 38 1HG GLN 5 2HG GLN 5 -0.717 -17.078 3.858 39 2HG GLN 5 3HG GLN 5 -2.215 -16.536 3.089 40 1HE2 GLN 5 1HE2 GLN 5 0.516 -18.088 2.225 41 2HE2 GLN 5 2HE2 GLN 5 1.167 -17.115 0.945 42 H LYS 6 H LYS 6 0.027 -12.219 2.571 43 HA LYS 6 HA LYS 6 0.157 -10.545 5.040 44 1HB LYS 6 2HB LYS 6 0.983 -8.735 3.753 45 2HB LYS 6 3HB LYS 6 2.138 -10.059 3.845 46 1HG LYS 6 2HG LYS 6 2.000 -10.590 1.609 47 2HG LYS 6 3HG LYS 6 0.360 -10.046 1.396 48 1HD LYS 6 2HD LYS 6 2.656 -8.167 1.850 49 2HD LYS 6 3HD LYS 6 2.026 -8.644 0.256 50 1HE LYS 6 2HE LYS 6 -0.272 -7.882 0.996 51 2HE LYS 6 3HE LYS 6 0.450 -7.161 2.433 52 1HZ LYS 6 1HZ LYS 6 1.858 -5.833 0.875 53 2HZ LYS 6 2HZ LYS 6 0.883 -6.399 -0.346 54 3HZ LYS 6 3HZ LYS 6 0.250 -5.491 0.861 55 H GLU 7 H GLU 7 -1.625 -9.386 5.391 56 HA GLU 7 HA GLU 7 -3.769 -9.164 3.429 57 1HB GLU 7 2HB GLU 7 -3.460 -7.783 6.132 58 2HB GLU 7 3HB GLU 7 -4.931 -8.059 5.201 59 1HG GLU 7 2HG GLU 7 -5.104 -9.728 6.781 60 2HG GLU 7 3HG GLU 7 -4.308 -10.628 5.493 61 H ILE 8 H ILE 8 -4.379 -7.214 2.425 62 HA ILE 8 HA ILE 8 -3.238 -4.688 3.403 63 HB ILE 8 HB ILE 8 -1.531 -5.137 1.784 64 1HG1 ILE 8 2HG1 ILE 8 -3.551 -3.323 0.423 65 2HG1 ILE 8 3HG1 ILE 8 -2.471 -2.863 1.754 66 1HG2 ILE 8 1HG2 ILE 8 -1.961 -5.776 -0.511 67 2HG2 ILE 8 2HG2 ILE 8 -2.602 -6.982 0.588 68 3HG2 ILE 8 3HG2 ILE 8 -3.705 -5.845 -0.222 69 1HD1 ILE 8 1HD1 ILE 8 -1.615 -3.719 -1.045 70 2HD1 ILE 8 2HD1 ILE 8 -1.502 -2.125 -0.308 71 3HD1 ILE 8 3HD1 ILE 8 -0.505 -3.445 0.322 72 H ALA 9 H ALA 9 -4.882 -3.197 3.496 73 HA ALA 9 HA ALA 9 -7.357 -3.683 1.908 74 1HB ALA 9 1HB ALA 9 -7.686 -4.012 4.301 75 2HB ALA 9 2HB ALA 9 -6.950 -2.430 4.646 76 3HB ALA 9 3HB ALA 9 -8.487 -2.519 3.765 77 H MET 10 H MET 10 -7.871 -2.149 0.451 78 HA MET 10 HA MET 10 -6.955 0.661 0.848 79 1HB MET 10 2HB MET 10 -6.219 -1.073 -1.546 80 2HB MET 10 3HB MET 10 -6.153 0.690 -1.577 81 1HG MET 10 2HG MET 10 -4.571 0.641 0.387 82 2HG MET 10 3HG MET 10 -4.513 -1.114 0.241 83 1HE MET 10 1HE MET 10 -3.617 -2.368 -1.938 84 2HE MET 10 2HE MET 10 -4.498 -1.341 -3.097 85 3HE MET 10 3HE MET 10 -2.740 -1.544 -3.248 86 H GLN 11 H GLN 11 -7.871 2.036 -1.111 87 HA GLN 11 HA GLN 11 -10.726 1.245 -1.384 88 1HB GLN 11 2HB GLN 11 -10.037 3.161 0.150 89 2HB GLN 11 3HB GLN 11 -9.597 4.061 -1.304 90 1HG GLN 11 2HG GLN 11 -12.265 2.849 -1.552 91 2HG GLN 11 3HG GLN 11 -12.135 3.806 -0.074 92 1HE2 GLN 11 1HE2 GLN 11 -11.393 6.140 -0.374 93 2HE2 GLN 11 2HE2 GLN 11 -11.896 6.911 -1.867 94 H VAL 12 H VAL 12 -11.610 1.187 -3.415 95 HA VAL 12 HA VAL 12 -9.988 2.074 -5.727 96 HB VAL 12 HB VAL 12 -9.692 -0.308 -5.387 97 1HG1 VAL 12 1HG1 VAL 12 -11.782 -0.817 -4.058 98 2HG1 VAL 12 2HG1 VAL 12 -12.718 -0.602 -5.545 99 3HG1 VAL 12 3HG1 VAL 12 -11.539 -1.912 -5.426 100 1HG2 VAL 12 1HG2 VAL 12 -9.953 0.538 -7.702 101 2HG2 VAL 12 2HG2 VAL 12 -10.541 -1.137 -7.513 102 3HG2 VAL 12 3HG2 VAL 12 -11.699 0.188 -7.623 103 H SER 13 H SER 13 -11.109 2.863 -7.449 104 HA SER 13 HA SER 13 -14.005 3.445 -7.067 105 1HB SER 13 2HB SER 13 -12.472 4.924 -9.120 106 2HB SER 13 3HB SER 13 -13.679 5.468 -7.958 107 HG SER 13 HG SER 13 -10.916 4.876 -7.455 108 H GLY 14 H GLY 14 -15.313 3.412 -8.958 109 1HA GLY 14 2HA GLY 14 -15.767 2.812 -11.244 110 2HA GLY 14 3HA GLY 14 -14.429 1.656 -11.219 111 H MET 15 H MET 15 -15.838 1.467 -8.208 112 HA MET 15 HA MET 15 -17.006 -1.128 -8.862 113 1HB MET 15 2HB MET 15 -16.801 0.372 -6.241 114 2HB MET 15 3HB MET 15 -17.547 -1.225 -6.446 115 1HG MET 15 2HG MET 15 -15.351 -1.955 -7.577 116 2HG MET 15 3HG MET 15 -14.649 -0.485 -6.892 117 1HE MET 15 1HE MET 15 -14.654 -0.049 -4.205 118 2HE MET 15 2HE MET 15 -16.369 -0.488 -4.016 119 3HE MET 15 3HE MET 15 -15.128 -1.298 -3.030 120 H THR 16 H THR 16 -18.663 -0.531 -10.350 121 HA THR 16 HA THR 16 -21.028 0.700 -9.794 122 HB THR 16 HB THR 16 -20.779 -2.067 -11.055 123 HG1 THR 16 1HG THR 16 -20.273 -0.818 -12.944 124 1HG2 THR 16 1HG2 THR 16 -23.105 -1.286 -10.946 125 2HG2 THR 16 2HG2 THR 16 -22.640 0.269 -11.666 126 3HG2 THR 16 3HG2 THR 16 -22.522 -1.230 -12.613 127 H CYS 17 H CYS 17 -19.898 -2.189 -8.191 128 HA CYS 17 HA CYS 17 -20.607 -3.202 -6.310 129 1HB CYS 17 2HB CYS 17 -21.309 -1.189 -5.268 130 2HB CYS 17 3HB CYS 17 -22.847 -1.139 -6.156 131 HG CYS 17 HG CYS 17 -23.235 -1.850 -3.695 132 H ALA 18 H ALA 18 -20.853 -5.061 -7.305 133 HA ALA 18 HA ALA 18 -22.674 -6.842 -7.383 134 1HB ALA 18 1HB ALA 18 -24.469 -5.570 -8.414 135 2HB ALA 18 2HB ALA 18 -23.431 -5.108 -9.784 136 3HB ALA 18 3HB ALA 18 -23.950 -6.796 -9.547 137 H ALA 19 H ALA 19 -22.279 -6.722 -10.692 138 HA ALA 19 HA ALA 19 -20.367 -8.705 -10.788 139 1HB ALA 19 1HB ALA 19 -21.930 -8.162 -12.612 140 2HB ALA 19 2HB ALA 19 -21.039 -6.657 -12.940 141 3HB ALA 19 3HB ALA 19 -20.256 -8.231 -13.195 142 H CYS 20 H CYS 20 -19.745 -5.191 -10.595 143 HA CYS 20 HA CYS 20 -17.213 -5.260 -11.894 144 1HB CYS 20 2HB CYS 20 -18.749 -3.297 -10.153 145 2HB CYS 20 3HB CYS 20 -17.038 -3.019 -10.447 146 HG CYS 20 HG CYS 20 -18.180 -1.570 -12.159 147 H ALA 21 H ALA 21 -18.119 -5.019 -8.461 148 HA ALA 21 HA ALA 21 -15.510 -5.228 -7.371 149 1HB ALA 21 1HB ALA 21 -17.994 -6.233 -5.967 150 2HB ALA 21 2HB ALA 21 -16.599 -5.313 -5.339 151 3HB ALA 21 3HB ALA 21 -17.791 -4.501 -6.326 152 H ALA 22 H ALA 22 -18.036 -7.723 -7.998 153 HA ALA 22 HA ALA 22 -16.547 -10.023 -7.201 154 1HB ALA 22 1HB ALA 22 -18.664 -9.756 -9.370 155 2HB ALA 22 2HB ALA 22 -18.136 -11.259 -8.585 156 3HB ALA 22 3HB ALA 22 -18.974 -10.014 -7.639 157 H ARG 23 H ARG 23 -16.520 -8.237 -10.322 158 HA ARG 23 HA ARG 23 -14.963 -10.186 -11.695 159 1HB ARG 23 2HB ARG 23 -15.760 -7.320 -12.157 160 2HB ARG 23 3HB ARG 23 -14.270 -7.822 -12.927 161 1HG ARG 23 2HG ARG 23 -16.922 -9.282 -13.217 162 2HG ARG 23 3HG ARG 23 -16.238 -8.113 -14.354 163 1HD ARG 23 2HD ARG 23 -14.116 -9.920 -13.892 164 2HD ARG 23 3HD ARG 23 -15.544 -10.960 -13.911 165 HE ARG 23 HE ARG 23 -15.709 -9.144 -16.108 166 1HH1 ARG 23 2HH2 ARG 23 -13.739 -11.854 -15.070 167 2HH1 ARG 23 1HH2 ARG 23 -13.266 -12.351 -16.671 168 1HH2 ARG 23 2HH1 ARG 23 -15.057 -9.700 -18.251 169 2HH2 ARG 23 1HH1 ARG 23 -14.035 -11.068 -18.531 170 H ILE 24 H ILE 24 -14.083 -7.331 -9.673 171 HA ILE 24 HA ILE 24 -11.267 -7.674 -10.103 172 HB ILE 24 HB ILE 24 -12.805 -6.428 -7.804 173 1HG1 ILE 24 2HG1 ILE 24 -11.190 -5.010 -9.951 174 2HG1 ILE 24 3HG1 ILE 24 -12.850 -5.467 -10.326 175 1HG2 ILE 24 1HG2 ILE 24 -10.631 -7.083 -7.039 176 2HG2 ILE 24 2HG2 ILE 24 -9.869 -6.337 -8.467 177 3HG2 ILE 24 3HG2 ILE 24 -10.680 -5.331 -7.247 178 1HD1 ILE 24 1HD1 ILE 24 -12.346 -3.137 -9.363 179 2HD1 ILE 24 2HD1 ILE 24 -13.797 -4.022 -8.809 180 3HD1 ILE 24 3HD1 ILE 24 -12.337 -3.921 -7.786 181 H GLU 25 H GLU 25 -13.480 -8.816 -7.432 182 HA GLU 25 HA GLU 25 -11.463 -10.146 -6.022 183 1HB GLU 25 2HB GLU 25 -14.409 -10.896 -6.352 184 2HB GLU 25 3HB GLU 25 -13.333 -11.620 -5.150 185 1HG GLU 25 2HG GLU 25 -12.954 -9.454 -4.084 186 2HG GLU 25 3HG GLU 25 -14.033 -8.667 -5.249 187 H LYS 26 H LYS 26 -13.469 -11.450 -8.735 188 HA LYS 26 HA LYS 26 -12.260 -14.025 -8.585 189 1HB LYS 26 2HB LYS 26 -14.497 -13.710 -9.402 190 2HB LYS 26 3HB LYS 26 -13.923 -12.754 -10.778 191 1HG LYS 26 2HG LYS 26 -12.807 -14.559 -11.763 192 2HG LYS 26 3HG LYS 26 -12.638 -15.429 -10.246 193 1HD LYS 26 2HD LYS 26 -14.079 -16.797 -11.241 194 2HD LYS 26 3HD LYS 26 -15.190 -15.799 -10.295 195 1HE LYS 26 2HE LYS 26 -15.775 -14.517 -12.340 196 2HE LYS 26 3HE LYS 26 -14.537 -15.392 -13.264 197 1HZ LYS 26 1HZ LYS 26 -16.697 -16.315 -13.661 198 2HZ LYS 26 2HZ LYS 26 -15.760 -17.423 -12.896 199 3HZ LYS 26 3HZ LYS 26 -16.930 -16.621 -12.065 200 H GLY 27 H GLY 27 -11.712 -11.163 -10.665 201 1HA GLY 27 2HA GLY 27 -9.805 -12.259 -12.436 202 2HA GLY 27 3HA GLY 27 -9.960 -10.553 -11.975 203 H LEU 28 H LEU 28 -9.435 -10.712 -9.220 204 HA LEU 28 HA LEU 28 -6.555 -11.054 -9.184 205 1HB LEU 28 2HB LEU 28 -8.635 -10.128 -7.188 206 2HB LEU 28 3HB LEU 28 -7.007 -10.510 -6.659 207 HG LEU 28 HG LEU 28 -7.386 -8.046 -7.162 208 1HD1 LEU 28 1HD1 LEU 28 -5.141 -9.162 -7.104 209 2HD1 LEU 28 2HD1 LEU 28 -5.210 -9.310 -8.867 210 3HD1 LEU 28 3HD1 LEU 28 -5.249 -7.708 -8.112 211 1HD2 LEU 28 1HD2 LEU 28 -8.788 -8.308 -9.199 212 2HD2 LEU 28 2HD2 LEU 28 -7.454 -7.189 -9.343 213 3HD2 LEU 28 3HD2 LEU 28 -7.341 -8.800 -10.091 214 H LYS 29 H LYS 29 -9.339 -12.929 -7.817 215 HA LYS 29 HA LYS 29 -7.833 -14.862 -6.481 216 1HB LYS 29 2HB LYS 29 -10.509 -14.628 -7.021 217 2HB LYS 29 3HB LYS 29 -10.103 -15.931 -8.104 218 1HG LYS 29 2HG LYS 29 -10.609 -17.134 -6.195 219 2HG LYS 29 3HG LYS 29 -8.874 -16.940 -6.012 220 1HD LYS 29 2HD LYS 29 -9.591 -16.357 -3.907 221 2HD LYS 29 3HD LYS 29 -9.495 -14.757 -4.628 222 1HE LYS 29 2HE LYS 29 -12.027 -16.476 -4.384 223 2HE LYS 29 3HE LYS 29 -11.556 -15.219 -3.231 224 1HZ LYS 29 1HZ LYS 29 -11.721 -13.612 -5.041 225 2HZ LYS 29 2HZ LYS 29 -12.261 -14.790 -6.049 226 3HZ LYS 29 3HZ LYS 29 -13.147 -14.369 -4.727 227 H ARG 30 H ARG 30 -8.182 -14.417 -9.939 228 HA ARG 30 HA ARG 30 -7.264 -16.876 -10.885 229 1HB ARG 30 2HB ARG 30 -8.044 -14.616 -12.063 230 2HB ARG 30 3HB ARG 30 -6.316 -14.309 -12.173 231 1HG ARG 30 2HG ARG 30 -5.981 -16.393 -13.424 232 2HG ARG 30 3HG ARG 30 -7.669 -16.872 -13.152 233 1HD ARG 30 2HD ARG 30 -8.474 -14.955 -14.440 234 2HD ARG 30 3HD ARG 30 -6.793 -14.422 -14.725 235 HE ARG 30 HE ARG 30 -7.001 -17.103 -15.588 236 1HH1 ARG 30 2HH2 ARG 30 -8.287 -13.958 -16.491 237 2HH1 ARG 30 1HH2 ARG 30 -8.474 -14.323 -18.182 238 1HH2 ARG 30 2HH1 ARG 30 -7.242 -17.647 -17.833 239 2HH2 ARG 30 1HH1 ARG 30 -7.867 -16.487 -18.953 240 H MET 31 H MET 31 -5.397 -14.431 -9.161 241 HA MET 31 HA MET 31 -2.821 -15.324 -10.210 242 1HB MET 31 2HB MET 31 -3.763 -13.294 -8.174 243 2HB MET 31 3HB MET 31 -2.056 -13.710 -8.280 244 1HG MET 31 2HG MET 31 -3.459 -13.154 -10.868 245 2HG MET 31 3HG MET 31 -3.186 -11.781 -9.817 246 1HE MET 31 1HE MET 31 -0.349 -12.008 -12.772 247 2HE MET 31 2HE MET 31 -1.980 -12.715 -12.862 248 3HE MET 31 3HE MET 31 -1.749 -11.060 -12.227 249 HA PRO 32 HA PRO 32 -2.246 -18.607 -7.389 250 1HB PRO 32 2HB PRO 32 0.476 -18.803 -7.178 251 2HB PRO 32 3HB PRO 32 -0.421 -19.192 -8.671 252 1HG PRO 32 2HG PRO 32 1.003 -16.608 -7.997 253 2HG PRO 32 3HG PRO 32 1.104 -17.553 -9.504 254 1HD PRO 32 2HD PRO 32 -0.552 -15.401 -9.283 255 2HD PRO 32 3HD PRO 32 -1.047 -16.853 -10.204 256 H GLY 33 H GLY 33 -0.294 -15.662 -6.553 257 1HA GLY 33 2HA GLY 33 0.203 -16.439 -3.858 258 2HA GLY 33 3HA GLY 33 0.307 -14.801 -4.524 259 H VAL 34 H VAL 34 -2.492 -14.842 -5.484 260 HA VAL 34 HA VAL 34 -3.779 -13.646 -3.237 261 HB VAL 34 HB VAL 34 -4.860 -14.489 -5.918 262 1HG1 VAL 34 1HG1 VAL 34 -6.721 -14.470 -4.328 263 2HG1 VAL 34 2HG1 VAL 34 -6.149 -12.940 -3.627 264 3HG1 VAL 34 3HG1 VAL 34 -6.772 -12.987 -5.287 265 1HG2 VAL 34 1HG2 VAL 34 -4.791 -12.020 -6.288 266 2HG2 VAL 34 2HG2 VAL 34 -4.132 -11.786 -4.665 267 3HG2 VAL 34 3HG2 VAL 34 -3.175 -12.626 -5.898 268 H THR 35 H THR 35 -4.003 -14.700 -1.463 269 HA THR 35 HA THR 35 -4.816 -17.498 -1.477 270 HB THR 35 HB THR 35 -4.206 -15.578 0.788 271 HG1 THR 35 1HG THR 35 -2.479 -16.316 -0.701 272 1HG2 THR 35 1HG2 THR 35 -4.715 -18.588 0.775 273 2HG2 THR 35 2HG2 THR 35 -4.052 -17.677 2.144 274 3HG2 THR 35 3HG2 THR 35 -5.704 -17.358 1.594 275 H ASP 36 H ASP 36 -6.035 -14.214 -0.561 276 HA ASP 36 HA ASP 36 -8.656 -15.123 -1.365 277 1HB ASP 36 2HB ASP 36 -8.546 -15.689 1.105 278 2HB ASP 36 3HB ASP 36 -8.344 -13.967 1.437 279 H ALA 37 H ALA 37 -10.171 -13.295 -1.439 280 HA ALA 37 HA ALA 37 -9.010 -10.604 -1.771 281 1HB ALA 37 1HB ALA 37 -9.700 -10.431 -4.142 282 2HB ALA 37 2HB ALA 37 -8.412 -11.634 -3.925 283 3HB ALA 37 3HB ALA 37 -10.089 -12.165 -4.163 284 H ASN 38 H ASN 38 -10.492 -9.533 -0.604 285 HA ASN 38 HA ASN 38 -13.403 -10.240 -0.847 286 1HB ASN 38 2HB ASN 38 -11.853 -9.273 1.587 287 2HB ASN 38 3HB ASN 38 -13.611 -9.384 1.471 288 1HD2 ASN 38 1HD2 ASN 38 -10.598 -11.275 1.530 289 2HD2 ASN 38 2HD2 ASN 38 -11.364 -12.807 1.933 290 H VAL 39 H VAL 39 -14.634 -8.475 -1.461 291 HA VAL 39 HA VAL 39 -13.535 -5.714 -1.041 292 HB VAL 39 HB VAL 39 -13.772 -6.693 -3.325 293 1HG1 VAL 39 1HG1 VAL 39 -16.184 -7.672 -2.739 294 2HG1 VAL 39 2HG1 VAL 39 -16.724 -6.073 -3.215 295 3HG1 VAL 39 3HG1 VAL 39 -15.801 -7.090 -4.355 296 1HG2 VAL 39 1HG2 VAL 39 -13.588 -4.264 -2.841 297 2HG2 VAL 39 2HG2 VAL 39 -14.509 -4.652 -4.299 298 3HG2 VAL 39 3HG2 VAL 39 -15.359 -4.152 -2.811 299 H ASN 40 H ASN 40 -14.275 -4.754 0.663 300 HA ASN 40 HA ASN 40 -17.079 -5.133 1.571 301 1HB ASN 40 2HB ASN 40 -14.780 -3.385 2.550 302 2HB ASN 40 3HB ASN 40 -16.443 -3.289 3.145 303 1HD2 ASN 40 1HD2 ASN 40 -16.493 -4.106 5.157 304 2HD2 ASN 40 2HD2 ASN 40 -15.807 -5.659 5.602 305 H LEU 41 H LEU 41 -17.589 -4.610 -0.744 306 HA LEU 41 HA LEU 41 -17.440 -1.959 -1.753 307 1HB LEU 41 2HB LEU 41 -19.334 -2.583 -3.185 308 2HB LEU 41 3HB LEU 41 -18.021 -3.749 -3.181 309 HG LEU 41 HG LEU 41 -19.409 -5.170 -1.656 310 1HD1 LEU 41 1HD1 LEU 41 -21.085 -3.890 -0.631 311 2HD1 LEU 41 2HD1 LEU 41 -21.408 -2.948 -2.101 312 3HD1 LEU 41 3HD1 LEU 41 -21.985 -4.618 -1.952 313 1HD2 LEU 41 1HD2 LEU 41 -20.896 -5.938 -3.511 314 2HD2 LEU 41 2HD2 LEU 41 -20.508 -4.444 -4.392 315 3HD2 LEU 41 3HD2 LEU 41 -19.236 -5.622 -4.028 316 H ALA 42 H ALA 42 -19.218 -3.202 0.894 317 HA ALA 42 HA ALA 42 -21.296 -1.268 1.062 318 1HB ALA 42 1HB ALA 42 -19.877 -2.838 3.263 319 2HB ALA 42 2HB ALA 42 -21.428 -1.987 3.425 320 3HB ALA 42 3HB ALA 42 -21.294 -3.383 2.337 321 H THR 43 H THR 43 -17.845 -1.224 2.072 322 HA THR 43 HA THR 43 -18.194 1.590 3.062 323 HB THR 43 HB THR 43 -16.154 1.104 4.385 324 HG1 THR 43 1HG THR 43 -15.216 -0.547 3.251 325 1HG2 THR 43 1HG2 THR 43 -18.415 0.769 5.381 326 2HG2 THR 43 2HG2 THR 43 -18.383 -0.932 4.870 327 3HG2 THR 43 3HG2 THR 43 -17.203 -0.341 6.053 328 H GLU 44 H GLU 44 -17.436 0.027 0.346 329 HA GLU 44 HA GLU 44 -15.911 0.010 -1.270 330 1HB GLU 44 2HB GLU 44 -15.759 2.981 -0.631 331 2HB GLU 44 3HB GLU 44 -15.105 2.212 -2.086 332 1HG GLU 44 2HG GLU 44 -17.375 1.410 -2.698 333 2HG GLU 44 3HG GLU 44 -18.043 2.203 -1.262 334 H THR 45 H THR 45 -14.662 -1.396 0.381 335 HA THR 45 HA THR 45 -11.929 -0.310 0.299 336 HB THR 45 HB THR 45 -13.112 -1.744 2.717 337 HG1 THR 45 1HG THR 45 -11.937 0.645 3.205 338 1HG2 THR 45 1HG2 THR 45 -10.864 -1.399 3.665 339 2HG2 THR 45 2HG2 THR 45 -10.791 -2.316 2.144 340 3HG2 THR 45 3HG2 THR 45 -10.355 -0.604 2.152 341 H VAL 46 H VAL 46 -10.752 -1.757 -0.832 342 HA VAL 46 HA VAL 46 -11.735 -4.539 -1.288 343 HB VAL 46 HB VAL 46 -11.417 -3.388 -3.346 344 1HG1 VAL 46 1HG1 VAL 46 -9.991 -1.483 -2.735 345 2HG1 VAL 46 2HG1 VAL 46 -8.619 -2.566 -2.426 346 3HG1 VAL 46 3HG1 VAL 46 -9.269 -2.392 -4.059 347 1HG2 VAL 46 1HG2 VAL 46 -8.925 -5.051 -2.867 348 2HG2 VAL 46 2HG2 VAL 46 -10.550 -5.720 -3.158 349 3HG2 VAL 46 3HG2 VAL 46 -9.741 -4.756 -4.412 350 H ASN 47 H ASN 47 -10.730 -6.091 -0.213 351 HA ASN 47 HA ASN 47 -8.222 -5.524 1.283 352 1HB ASN 47 2HB ASN 47 -10.498 -7.451 1.950 353 2HB ASN 47 3HB ASN 47 -9.047 -7.178 2.923 354 1HD2 ASN 47 1HD2 ASN 47 -11.947 -6.901 3.642 355 2HD2 ASN 47 2HD2 ASN 47 -12.110 -5.244 4.168 356 H VAL 48 H VAL 48 -6.543 -6.730 0.356 357 HA VAL 48 HA VAL 48 -7.301 -9.343 -0.925 358 HB VAL 48 HB VAL 48 -4.974 -7.690 -1.884 359 1HG1 VAL 48 1HG1 VAL 48 -5.220 -10.181 -2.455 360 2HG1 VAL 48 2HG1 VAL 48 -6.743 -9.780 -3.249 361 3HG1 VAL 48 3HG1 VAL 48 -5.225 -9.102 -3.860 362 1HG2 VAL 48 1HG2 VAL 48 -7.870 -7.569 -2.842 363 2HG2 VAL 48 2HG2 VAL 48 -6.871 -6.214 -2.261 364 3HG2 VAL 48 3HG2 VAL 48 -6.488 -7.000 -3.795 365 H ILE 49 H ILE 49 -6.245 -11.085 -0.222 366 HA ILE 49 HA ILE 49 -4.018 -10.687 1.701 367 HB ILE 49 HB ILE 49 -6.163 -12.843 1.793 368 1HG1 ILE 49 2HG1 ILE 49 -6.426 -11.549 4.142 369 2HG1 ILE 49 3HG1 ILE 49 -5.858 -10.182 3.187 370 1HG2 ILE 49 1HG2 ILE 49 -3.962 -13.637 2.583 371 2HG2 ILE 49 2HG2 ILE 49 -3.800 -12.205 3.616 372 3HG2 ILE 49 3HG2 ILE 49 -5.057 -13.415 3.949 373 1HD1 ILE 49 1HD1 ILE 49 -8.312 -11.920 2.668 374 2HD1 ILE 49 2HD1 ILE 49 -8.292 -10.242 3.231 375 3HD1 ILE 49 3HD1 ILE 49 -7.794 -10.622 1.578 376 H TYR 50 H TYR 50 -2.120 -11.503 0.876 377 HA TYR 50 HA TYR 50 -2.188 -13.912 -0.765 378 1HB TYR 50 2HB TYR 50 -1.245 -12.762 -2.804 379 2HB TYR 50 3HB TYR 50 -2.833 -12.108 -2.380 380 HD1 TYR 50 HD1 TYR 50 0.764 -11.285 -2.483 381 HD2 TYR 50 HD2 TYR 50 -3.229 -9.985 -1.522 382 HE1 TYR 50 HE1 TYR 50 1.560 -8.940 -2.300 383 HE2 TYR 50 HE2 TYR 50 -2.509 -7.660 -1.633 384 HH TYR 50 HH TYR 50 -0.699 -6.263 -2.032 385 H ASP 51 H ASP 51 0.061 -14.346 -1.697 386 HA ASP 51 HA ASP 51 1.807 -14.102 0.578 387 1HB ASP 51 2HB ASP 51 1.311 -16.171 -0.944 388 2HB ASP 51 3HB ASP 51 2.527 -15.492 -2.029 389 HA PRO 52 HA PRO 52 4.035 -10.693 -1.284 390 1HB PRO 52 2HB PRO 52 5.877 -10.135 0.643 391 2HB PRO 52 3HB PRO 52 4.137 -9.963 0.947 392 1HG PRO 52 2HG PRO 52 5.906 -12.317 1.657 393 2HG PRO 52 3HG PRO 52 4.764 -11.456 2.727 394 1HD PRO 52 2HD PRO 52 4.160 -13.781 1.378 395 2HD PRO 52 3HD PRO 52 2.926 -12.568 1.780 396 H ALA 53 H ALA 53 4.673 -13.351 -2.237 397 HA ALA 53 HA ALA 53 7.418 -12.890 -3.196 398 1HB ALA 53 1HB ALA 53 8.308 -15.024 -2.352 399 2HB ALA 53 2HB ALA 53 7.781 -14.017 -0.989 400 3HB ALA 53 3HB ALA 53 6.765 -15.369 -1.546 401 H GLU 54 H GLU 54 4.549 -13.420 -4.119 402 HA GLU 54 HA GLU 54 5.315 -15.199 -6.368 403 1HB GLU 54 2HB GLU 54 2.658 -15.211 -4.850 404 2HB GLU 54 3HB GLU 54 2.945 -15.968 -6.427 405 1HG GLU 54 2HG GLU 54 4.824 -17.298 -5.297 406 2HG GLU 54 3HG GLU 54 4.136 -16.755 -3.755 407 H THR 55 H THR 55 3.223 -12.493 -5.122 408 HA THR 55 HA THR 55 2.358 -11.938 -7.915 409 HB THR 55 HB THR 55 0.949 -12.052 -5.237 410 HG1 THR 55 1HG THR 55 1.356 -13.947 -6.633 411 1HG2 THR 55 1HG2 THR 55 -0.145 -11.070 -7.902 412 2HG2 THR 55 2HG2 THR 55 -1.068 -11.445 -6.419 413 3HG2 THR 55 3HG2 THR 55 0.111 -10.119 -6.408 414 H GLY 56 H GLY 56 1.713 -9.970 -4.964 415 1HA GLY 56 2HA GLY 56 3.403 -8.463 -4.116 416 2HA GLY 56 3HA GLY 56 3.930 -8.114 -5.761 417 H THR 57 H THR 57 2.464 -6.705 -3.411 418 HA THR 57 HA THR 57 0.026 -5.632 -3.958 419 HB THR 57 HB THR 57 1.267 -4.928 -1.997 420 HG1 THR 57 1HG THR 57 1.181 -2.489 -2.719 421 1HG2 THR 57 1HG2 THR 57 3.116 -3.438 -1.979 422 2HG2 THR 57 2HG2 THR 57 3.507 -4.953 -2.776 423 3HG2 THR 57 3HG2 THR 57 3.217 -3.477 -3.746 424 H ALA 58 H ALA 58 2.972 -4.614 -5.685 425 HA ALA 58 HA ALA 58 1.737 -2.553 -7.204 426 1HB ALA 58 1HB ALA 58 3.673 -2.788 -8.710 427 2HB ALA 58 2HB ALA 58 4.177 -2.799 -7.009 428 3HB ALA 58 3HB ALA 58 4.113 -4.322 -7.929 429 H ALA 59 H ALA 59 1.990 -6.086 -7.782 430 HA ALA 59 HA ALA 59 0.836 -5.951 -10.438 431 1HB ALA 59 1HB ALA 59 2.219 -7.836 -9.722 432 2HB ALA 59 2HB ALA 59 0.971 -8.279 -8.521 433 3HB ALA 59 3HB ALA 59 0.584 -8.309 -10.255 434 H ILE 60 H ILE 60 -0.355 -6.465 -7.088 435 HA ILE 60 HA ILE 60 -3.036 -7.129 -7.753 436 HB ILE 60 HB ILE 60 -2.232 -5.439 -5.360 437 1HG1 ILE 60 2HG1 ILE 60 -0.801 -7.419 -5.319 438 2HG1 ILE 60 3HG1 ILE 60 -2.008 -7.420 -4.059 439 1HG2 ILE 60 1HG2 ILE 60 -4.580 -7.281 -5.793 440 2HG2 ILE 60 2HG2 ILE 60 -4.121 -6.523 -4.258 441 3HG2 ILE 60 3HG2 ILE 60 -4.612 -5.514 -5.630 442 1HD1 ILE 60 1HD1 ILE 60 -2.127 -9.053 -6.615 443 2HD1 ILE 60 2HD1 ILE 60 -1.712 -9.633 -4.982 444 3HD1 ILE 60 3HD1 ILE 60 -3.349 -9.080 -5.321 445 H GLN 61 H GLN 61 -1.622 -3.903 -6.978 446 HA GLN 61 HA GLN 61 -4.013 -2.497 -7.614 447 1HB GLN 61 2HB GLN 61 -2.923 -0.562 -7.139 448 2HB GLN 61 3HB GLN 61 -1.933 -1.727 -6.253 449 1HG GLN 61 2HG GLN 61 -0.342 -1.705 -8.215 450 2HG GLN 61 3HG GLN 61 -1.282 -0.385 -8.918 451 1HE2 GLN 61 1HE2 GLN 61 -1.388 1.660 -7.561 452 2HE2 GLN 61 2HE2 GLN 61 0.006 1.970 -6.536 453 H GLU 62 H GLU 62 -1.209 -3.510 -9.655 454 HA GLU 62 HA GLU 62 -2.050 -2.061 -11.975 455 1HB GLU 62 2HB GLU 62 0.173 -2.963 -11.852 456 2HB GLU 62 3HB GLU 62 -0.439 -4.607 -11.608 457 1HG GLU 62 2HG GLU 62 -1.396 -4.665 -13.817 458 2HG GLU 62 3HG GLU 62 -0.895 -2.989 -14.139 459 H LYS 63 H LYS 63 -3.144 -5.215 -10.530 460 HA LYS 63 HA LYS 63 -4.475 -6.025 -12.905 461 1HB LYS 63 2HB LYS 63 -3.793 -7.254 -10.493 462 2HB LYS 63 3HB LYS 63 -5.507 -6.965 -10.294 463 1HG LYS 63 2HG LYS 63 -5.309 -9.094 -11.279 464 2HG LYS 63 3HG LYS 63 -5.848 -8.012 -12.577 465 1HD LYS 63 2HD LYS 63 -2.908 -8.065 -12.406 466 2HD LYS 63 3HD LYS 63 -3.510 -9.715 -12.428 467 1HE LYS 63 2HE LYS 63 -4.161 -7.571 -14.515 468 2HE LYS 63 3HE LYS 63 -2.924 -8.821 -14.679 469 1HZ LYS 63 1HZ LYS 63 -5.808 -9.326 -14.369 470 2HZ LYS 63 2HZ LYS 63 -4.955 -9.437 -15.770 471 3HZ LYS 63 3HZ LYS 63 -4.643 -10.478 -14.535 472 H ILE 64 H ILE 64 -5.453 -4.381 -9.883 473 HA ILE 64 HA ILE 64 -8.192 -3.997 -10.435 474 HB ILE 64 HB ILE 64 -6.190 -2.202 -8.997 475 1HG1 ILE 64 2HG1 ILE 64 -8.306 -4.159 -7.957 476 2HG1 ILE 64 3HG1 ILE 64 -6.587 -4.529 -8.076 477 1HG2 ILE 64 1HG2 ILE 64 -9.209 -2.047 -9.103 478 2HG2 ILE 64 2HG2 ILE 64 -8.179 -1.148 -7.961 479 3HG2 ILE 64 3HG2 ILE 64 -8.050 -0.816 -9.676 480 1HD1 ILE 64 1HD1 ILE 64 -7.883 -2.503 -6.237 481 2HD1 ILE 64 2HD1 ILE 64 -6.945 -3.943 -5.827 482 3HD1 ILE 64 3HD1 ILE 64 -6.133 -2.545 -6.555 483 H GLU 65 H GLU 65 -5.406 -1.849 -11.368 484 HA GLU 65 HA GLU 65 -7.067 -0.090 -12.870 485 1HB GLU 65 2HB GLU 65 -4.100 -0.676 -13.192 486 2HB GLU 65 3HB GLU 65 -4.997 0.634 -13.976 487 1HG GLU 65 2HG GLU 65 -5.752 0.862 -11.263 488 2HG GLU 65 3HG GLU 65 -4.032 0.456 -11.193 489 H LYS 66 H LYS 66 -5.222 -2.939 -14.018 490 HA LYS 66 HA LYS 66 -6.032 -2.805 -16.738 491 1HB LYS 66 2HB LYS 66 -4.994 -4.974 -14.961 492 2HB LYS 66 3HB LYS 66 -5.682 -5.402 -16.536 493 1HG LYS 66 2HG LYS 66 -4.206 -3.940 -17.729 494 2HG LYS 66 3HG LYS 66 -3.572 -3.231 -16.225 495 1HD LYS 66 2HD LYS 66 -2.512 -5.233 -15.591 496 2HD LYS 66 3HD LYS 66 -3.361 -6.197 -16.817 497 1HE LYS 66 2HE LYS 66 -2.113 -5.229 -18.622 498 2HE LYS 66 3HE LYS 66 -1.485 -3.923 -17.598 499 1HZ LYS 66 1HZ LYS 66 -0.151 -5.471 -16.428 500 2HZ LYS 66 2HZ LYS 66 -0.737 -6.753 -17.245 501 3HZ LYS 66 3HZ LYS 66 0.171 -5.615 -18.015 502 H LEU 67 H LEU 67 -7.852 -3.980 -13.875 503 HA LEU 67 HA LEU 67 -9.896 -5.226 -15.490 504 1HB LEU 67 2HB LEU 67 -9.408 -4.700 -12.620 505 2HB LEU 67 3HB LEU 67 -11.082 -4.782 -13.097 506 HG LEU 67 HG LEU 67 -9.575 -6.987 -14.330 507 1HD1 LEU 67 1HD1 LEU 67 -9.334 -8.227 -12.183 508 2HD1 LEU 67 2HD1 LEU 67 -8.196 -6.895 -12.439 509 3HD1 LEU 67 3HD1 LEU 67 -9.564 -6.681 -11.324 510 1HD2 LEU 67 1HD2 LEU 67 -11.457 -8.266 -13.408 511 2HD2 LEU 67 2HD2 LEU 67 -11.967 -6.864 -12.443 512 3HD2 LEU 67 3HD2 LEU 67 -12.054 -6.802 -14.218 513 H GLY 68 H GLY 68 -9.105 -1.945 -14.962 514 1HA GLY 68 2HA GLY 68 -10.108 -0.227 -16.173 515 2HA GLY 68 3HA GLY 68 -11.643 -1.097 -16.250 516 H TYR 69 H TYR 69 -9.529 -0.376 -13.470 517 HA TYR 69 HA TYR 69 -11.656 1.325 -12.196 518 1HB TYR 69 2HB TYR 69 -9.948 -0.861 -10.977 519 2HB TYR 69 3HB TYR 69 -10.959 0.220 -10.040 520 HD1 TYR 69 HD1 TYR 69 -13.334 -0.233 -9.780 521 HD2 TYR 69 HD2 TYR 69 -10.959 -2.452 -12.594 522 HE1 TYR 69 HE1 TYR 69 -15.242 -1.728 -10.225 523 HE2 TYR 69 HE2 TYR 69 -12.978 -3.780 -13.229 524 HH TYR 69 HH TYR 69 -15.050 -4.344 -12.680 525 H HIS 70 H HIS 70 -10.583 2.435 -10.147 526 HA HIS 70 HA HIS 70 -7.739 3.054 -10.659 527 1HB HIS 70 2HB HIS 70 -9.600 4.741 -11.766 528 2HB HIS 70 3HB HIS 70 -9.468 5.456 -10.169 529 HD1 HIS 70 1HD HIS 70 -6.558 4.063 -12.473 530 HD2 HIS 70 2HD HIS 70 -7.988 7.569 -10.574 531 HE1 HIS 70 1HE HIS 70 -4.920 5.890 -12.991 532 H VAL 71 H VAL 71 -6.590 3.276 -8.855 533 HA VAL 71 HA VAL 71 -7.950 2.757 -6.316 534 HB VAL 71 HB VAL 71 -5.742 2.278 -5.486 535 1HG1 VAL 71 1HG1 VAL 71 -6.978 0.556 -6.757 536 2HG1 VAL 71 2HG1 VAL 71 -6.105 1.023 -8.236 537 3HG1 VAL 71 3HG1 VAL 71 -5.222 0.352 -6.856 538 1HG2 VAL 71 1HG2 VAL 71 -4.651 3.177 -8.201 539 2HG2 VAL 71 2HG2 VAL 71 -4.316 3.928 -6.629 540 3HG2 VAL 71 3HG2 VAL 71 -3.741 2.298 -6.965 541 H VAL 72 H VAL 72 -8.219 4.169 -4.638 542 HA VAL 72 HA VAL 72 -7.588 7.008 -5.223 543 HB VAL 72 HB VAL 72 -9.174 5.727 -2.976 544 1HG1 VAL 72 1HG1 VAL 72 -10.116 8.050 -2.725 545 2HG1 VAL 72 2HG1 VAL 72 -8.400 8.017 -2.337 546 3HG1 VAL 72 3HG1 VAL 72 -8.935 8.638 -3.909 547 1HG2 VAL 72 1HG2 VAL 72 -10.290 5.294 -5.063 548 2HG2 VAL 72 2HG2 VAL 72 -11.116 6.681 -4.340 549 3HG2 VAL 72 3HG2 VAL 72 -9.965 6.941 -5.656 550 H THR 73 H THR 73 -5.264 6.281 -5.171 551 HA THR 73 HA THR 73 -4.164 6.445 -2.399 552 HB THR 73 HB THR 73 -2.749 4.705 -4.393 553 HG1 THR 73 1HG THR 73 -5.012 4.083 -4.517 554 1HG2 THR 73 1HG2 THR 73 -3.540 4.151 -1.521 555 2HG2 THR 73 2HG2 THR 73 -2.151 3.498 -2.392 556 3HG2 THR 73 3HG2 THR 73 -2.178 5.217 -1.928 557 H GLU 74 H GLU 74 -2.242 7.707 -2.254 558 HA GLU 74 HA GLU 74 -1.376 9.014 -4.798 559 1HB GLU 74 2HB GLU 74 -1.253 11.122 -3.546 560 2HB GLU 74 3HB GLU 74 -2.902 10.493 -3.652 561 1HG GLU 74 2HG GLU 74 -2.714 9.637 -1.310 562 2HG GLU 74 3HG GLU 74 -1.078 10.312 -1.212 563 H LYS 75 H LYS 75 0.731 9.461 -5.014 564 HA LYS 75 HA LYS 75 2.672 8.149 -3.241 565 1HB LYS 75 2HB LYS 75 4.314 8.948 -4.905 566 2HB LYS 75 3HB LYS 75 3.125 7.841 -5.545 567 1HG LYS 75 2HG LYS 75 2.198 9.280 -6.949 568 2HG LYS 75 3HG LYS 75 2.296 10.663 -5.857 569 1HD LYS 75 2HD LYS 75 4.708 9.525 -7.331 570 2HD LYS 75 3HD LYS 75 3.697 10.849 -7.950 571 1HE LYS 75 2HE LYS 75 4.171 12.185 -5.876 572 2HE LYS 75 3HE LYS 75 5.247 10.908 -5.299 573 1HZ LYS 75 1HZ LYS 75 6.501 12.558 -6.229 574 2HZ LYS 75 2HZ LYS 75 6.618 11.297 -7.241 575 3HZ LYS 75 3HZ LYS 75 5.674 12.598 -7.653 576 H ALA 76 H ALA 76 2.476 9.354 -1.318 577 HA ALA 76 HA ALA 76 3.039 12.302 -1.480 578 1HB ALA 76 1HB ALA 76 1.261 11.586 0.021 579 2HB ALA 76 2HB ALA 76 2.397 10.542 0.900 580 3HB ALA 76 3HB ALA 76 2.606 12.318 0.912 581 H GLU 77 H GLU 77 4.954 13.219 -0.441 582 HA GLU 77 HA GLU 77 7.212 11.268 -0.252 583 1HB GLU 77 2HB GLU 77 7.194 14.059 -1.449 584 2HB GLU 77 3HB GLU 77 8.626 13.051 -1.179 585 1HG GLU 77 2HG GLU 77 7.692 11.284 -2.637 586 2HG GLU 77 3HG GLU 77 6.260 12.278 -2.947 587 H PHE 78 H PHE 78 8.011 11.078 1.680 588 HA PHE 78 HA PHE 78 7.862 13.337 3.620 589 1HB PHE 78 2HB PHE 78 7.911 10.333 4.003 590 2HB PHE 78 3HB PHE 78 8.220 11.472 5.304 591 HD1 PHE 78 1HD PHE 78 6.351 12.140 6.675 592 HD2 PHE 78 2HD PHE 78 5.638 10.736 2.650 593 HE1 PHE 78 1HE PHE 78 3.966 12.662 6.905 594 HE2 PHE 78 2HE PHE 78 3.258 11.359 2.890 595 HZ PHE 78 HZ PHE 78 2.468 12.456 4.922 596 H ASP 79 H ASP 79 9.687 13.657 4.920 597 HA ASP 79 HA ASP 79 12.328 13.050 3.644 598 1HB ASP 79 2HB ASP 79 11.819 15.340 3.465 599 2HB ASP 79 3HB ASP 79 11.188 15.455 5.115 600 H ILE 80 H ILE 80 13.909 12.083 5.007 601 HA ILE 80 HA ILE 80 12.762 11.068 7.580 602 HB ILE 80 HB ILE 80 15.065 9.876 6.032 603 1HG1 ILE 80 2HG1 ILE 80 12.092 9.603 5.460 604 2HG1 ILE 80 3HG1 ILE 80 13.374 10.146 4.353 605 1HG2 ILE 80 1HG2 ILE 80 14.353 7.840 7.182 606 2HG2 ILE 80 2HG2 ILE 80 14.495 9.124 8.385 607 3HG2 ILE 80 3HG2 ILE 80 12.893 8.644 7.791 608 1HD1 ILE 80 1HD1 ILE 80 13.017 8.025 3.703 609 2HD1 ILE 80 2HD1 ILE 80 14.486 7.931 4.683 610 3HD1 ILE 80 3HD1 ILE 80 12.910 7.397 5.372 611 H GLU 81 H GLU 81 13.700 11.781 9.507 612 HA GLU 81 HA GLU 81 16.428 13.042 9.219 613 1HB GLU 81 2HB GLU 81 14.479 14.558 9.495 614 2HB GLU 81 3HB GLU 81 14.186 13.808 11.066 615 1HG GLU 81 2HG GLU 81 16.547 14.573 11.705 616 2HG GLU 81 3HG GLU 81 16.664 15.335 10.116 617 H GLY 82 H GLY 82 16.637 10.723 9.298 618 1HA GLY 82 2HA GLY 82 17.412 9.787 12.012 619 2HA GLY 82 3HA GLY 82 16.156 8.850 11.194 620 H MET 83 H MET 83 16.890 8.352 8.665 621 HA MET 83 HA MET 83 19.158 6.713 8.896 622 1HB MET 83 2HB MET 83 18.920 6.339 6.502 623 2HB MET 83 3HB MET 83 17.337 6.310 7.276 624 1HG MET 83 2HG MET 83 16.533 7.856 5.984 625 2HG MET 83 3HG MET 83 17.814 9.004 6.329 626 1HE MET 83 1HE MET 83 20.138 9.014 5.002 627 2HE MET 83 2HE MET 83 20.408 7.258 4.981 628 3HE MET 83 3HE MET 83 20.382 8.173 3.459 629 H THR 84 H THR 84 21.265 7.057 8.758 630 HA THR 84 HA THR 84 22.340 9.220 7.113 631 HB THR 84 HB THR 84 21.712 10.302 9.275 632 HG1 THR 84 1HG THR 84 23.364 11.161 8.088 633 1HG2 THR 84 1HG2 THR 84 22.965 9.886 11.298 634 2HG2 THR 84 2HG2 THR 84 22.132 8.398 10.819 635 3HG2 THR 84 3HG2 THR 84 23.881 8.577 10.538 636 H CYS 85 H CYS 85 22.301 6.348 7.033 637 HA CYS 85 HA CYS 85 25.191 5.971 6.732 638 1HB CYS 85 2HB CYS 85 24.762 5.067 8.998 639 2HB CYS 85 3HB CYS 85 23.550 3.955 8.336 640 HG CYS 85 HG CYS 85 26.743 4.298 7.509 641 H ALA 86 H ALA 86 23.493 3.009 6.455 642 HA ALA 86 HA ALA 86 22.401 3.553 3.770 643 1HB ALA 86 1HB ALA 86 23.895 1.922 2.700 644 2HB ALA 86 2HB ALA 86 24.811 3.288 3.356 645 3HB ALA 86 3HB ALA 86 24.800 1.735 4.220 646 H ALA 87 H ALA 87 21.103 2.823 6.147 647 HA ALA 87 HA ALA 87 20.144 0.089 5.543 648 1HB ALA 87 1HB ALA 87 20.626 -0.732 7.803 649 2HB ALA 87 2HB ALA 87 22.117 -0.300 6.950 650 3HB ALA 87 3HB ALA 87 21.462 0.786 8.196 651 H CYS 88 H CYS 88 19.785 3.027 7.719 652 HA CYS 88 HA CYS 88 17.575 1.988 9.096 653 1HB CYS 88 2HB CYS 88 18.374 4.802 8.419 654 2HB CYS 88 3HB CYS 88 17.193 4.393 9.674 655 HG CYS 88 HG CYS 88 19.449 5.100 10.782 656 H ALA 89 H ALA 89 17.813 3.886 6.114 657 HA ALA 89 HA ALA 89 15.062 4.290 5.524 658 1HB ALA 89 1HB ALA 89 16.408 4.160 3.102 659 2HB ALA 89 2HB ALA 89 16.126 5.592 4.111 660 3HB ALA 89 3HB ALA 89 17.635 4.713 4.256 661 H ASN 90 H ASN 90 17.221 1.474 5.050 662 HA ASN 90 HA ASN 90 15.264 0.087 3.358 663 1HB ASN 90 2HB ASN 90 17.842 -0.828 4.694 664 2HB ASN 90 3HB ASN 90 16.699 -1.965 3.986 665 1HD2 ASN 90 1HD2 ASN 90 19.578 -0.861 3.187 666 2HD2 ASN 90 2HD2 ASN 90 19.324 -0.614 1.473 667 H ARG 91 H ARG 91 16.155 0.211 6.806 668 HA ARG 91 HA ARG 91 14.364 -1.866 7.657 669 1HB ARG 91 2HB ARG 91 16.061 0.142 8.941 670 2HB ARG 91 3HB ARG 91 14.473 0.105 9.712 671 1HG ARG 91 2HG ARG 91 14.668 -2.386 9.904 672 2HG ARG 91 3HG ARG 91 16.322 -2.270 9.257 673 1HD ARG 91 2HD ARG 91 16.959 -0.826 11.176 674 2HD ARG 91 3HD ARG 91 15.282 -0.876 11.755 675 HE ARG 91 HE ARG 91 16.576 -3.489 11.390 676 1HH1 ARG 91 2HH2 ARG 91 16.030 -0.866 13.701 677 2HH1 ARG 91 1HH2 ARG 91 16.123 -1.874 15.107 678 1HH2 ARG 91 2HH1 ARG 91 16.775 -4.844 13.241 679 2HH2 ARG 91 1HH1 ARG 91 16.613 -4.183 14.832 680 H ILE 92 H ILE 92 13.862 1.688 7.575 681 HA ILE 92 HA ILE 92 11.109 1.494 8.281 682 HB ILE 92 HB ILE 92 10.905 3.838 7.495 683 1HG1 ILE 92 2HG1 ILE 92 13.356 4.822 7.046 684 2HG1 ILE 92 3HG1 ILE 92 13.451 3.247 6.250 685 1HG2 ILE 92 1HG2 ILE 92 12.459 4.764 9.140 686 2HG2 ILE 92 2HG2 ILE 92 11.674 3.305 9.756 687 3HG2 ILE 92 3HG2 ILE 92 13.355 3.235 9.175 688 1HD1 ILE 92 1HD1 ILE 92 11.374 5.415 5.732 689 2HD1 ILE 92 2HD1 ILE 92 12.758 5.037 4.692 690 3HD1 ILE 92 3HD1 ILE 92 11.446 3.858 4.875 691 H GLU 93 H GLU 93 12.677 1.334 5.030 692 HA GLU 93 HA GLU 93 10.445 1.544 3.432 693 1HB GLU 93 2HB GLU 93 12.808 1.346 2.584 694 2HB GLU 93 3HB GLU 93 12.822 -0.352 3.050 695 1HG GLU 93 2HG GLU 93 10.452 0.106 1.488 696 2HG GLU 93 3HG GLU 93 11.781 0.894 0.665 697 H LYS 94 H LYS 94 11.910 -1.509 4.691 698 HA LYS 94 HA LYS 94 9.811 -3.157 3.812 699 1HB LYS 94 2HB LYS 94 11.856 -3.464 6.016 700 2HB LYS 94 3HB LYS 94 10.509 -4.587 5.931 701 1HG LYS 94 2HG LYS 94 12.044 -5.757 4.673 702 2HG LYS 94 3HG LYS 94 11.010 -4.992 3.490 703 1HD LYS 94 2HD LYS 94 13.025 -4.597 2.521 704 2HD LYS 94 3HD LYS 94 12.866 -3.106 3.422 705 1HE LYS 94 2HE LYS 94 14.447 -5.599 4.276 706 2HE LYS 94 3HE LYS 94 15.126 -4.097 3.627 707 1HZ LYS 94 1HZ LYS 94 13.668 -4.372 6.160 708 2HZ LYS 94 2HZ LYS 94 15.284 -4.079 5.985 709 3HZ LYS 94 3HZ LYS 94 14.171 -2.949 5.505 710 H ARG 95 H ARG 95 9.762 -0.916 6.503 711 HA ARG 95 HA ARG 95 7.283 -2.175 7.582 712 1HB ARG 95 2HB ARG 95 9.096 -0.140 8.541 713 2HB ARG 95 3HB ARG 95 7.474 0.547 8.445 714 1HG ARG 95 2HG ARG 95 7.595 -0.422 10.609 715 2HG ARG 95 3HG ARG 95 6.575 -1.477 9.631 716 1HD ARG 95 2HD ARG 95 8.743 -2.836 9.151 717 2HD ARG 95 3HD ARG 95 9.482 -1.878 10.447 718 HE ARG 95 HE ARG 95 7.082 -2.918 11.471 719 1HH1 ARG 95 2HH2 ARG 95 10.160 -4.105 10.277 720 2HH1 ARG 95 1HH2 ARG 95 10.106 -5.635 11.102 721 1HH2 ARG 95 2HH1 ARG 95 6.931 -4.957 12.585 722 2HH2 ARG 95 1HH1 ARG 95 8.217 -6.113 12.475 723 H LEU 96 H LEU 96 7.980 0.990 6.134 724 HA LEU 96 HA LEU 96 5.369 1.825 5.684 725 1HB LEU 96 2HB LEU 96 7.931 2.463 4.235 726 2HB LEU 96 3HB LEU 96 6.369 3.136 3.762 727 HG LEU 96 HG LEU 96 6.493 3.456 6.599 728 1HD1 LEU 96 1HD1 LEU 96 9.041 4.339 5.233 729 2HD1 LEU 96 2HD1 LEU 96 8.429 5.030 6.753 730 3HD1 LEU 96 3HD1 LEU 96 8.829 3.315 6.674 731 1HD2 LEU 96 1HD2 LEU 96 5.243 4.817 4.975 732 2HD2 LEU 96 2HD2 LEU 96 6.261 5.813 6.031 733 3HD2 LEU 96 3HD2 LEU 96 6.772 5.491 4.358 734 H ASN 97 H ASN 97 7.343 -0.158 3.546 735 HA ASN 97 HA ASN 97 6.096 -0.599 1.242 736 1HB ASN 97 2HB ASN 97 8.039 -1.878 2.262 737 2HB ASN 97 3HB ASN 97 6.865 -2.895 3.099 738 1HD2 ASN 97 1HD2 ASN 97 8.696 -2.346 0.268 739 2HD2 ASN 97 2HD2 ASN 97 7.935 -3.532 -0.763 740 H LYS 98 H LYS 98 4.845 -1.859 4.352 741 HA LYS 98 HA LYS 98 2.145 -1.928 3.361 742 1HB LYS 98 2HB LYS 98 1.803 -4.398 3.852 743 2HB LYS 98 3HB LYS 98 2.516 -3.959 2.310 744 1HG LYS 98 2HG LYS 98 4.516 -4.887 2.725 745 2HG LYS 98 3HG LYS 98 4.561 -4.433 4.428 746 1HD LYS 98 2HD LYS 98 2.748 -6.644 3.433 747 2HD LYS 98 3HD LYS 98 4.446 -6.926 3.884 748 1HE LYS 98 2HE LYS 98 3.941 -5.923 6.150 749 2HE LYS 98 3HE LYS 98 2.235 -5.821 5.694 750 1HZ LYS 98 1HZ LYS 98 3.780 -8.322 5.862 751 2HZ LYS 98 2HZ LYS 98 2.715 -7.764 6.982 752 3HZ LYS 98 3HZ LYS 98 2.176 -8.195 5.500 753 H ILE 99 H ILE 99 2.511 -0.372 5.217 754 HA ILE 99 HA ILE 99 2.501 -1.487 7.898 755 HB ILE 99 HB ILE 99 1.437 1.151 6.831 756 1HG1 ILE 99 2HG1 ILE 99 3.852 0.600 8.604 757 2HG1 ILE 99 3HG1 ILE 99 3.966 0.574 6.845 758 1HG2 ILE 99 1HG2 ILE 99 1.689 0.117 9.698 759 2HG2 ILE 99 2HG2 ILE 99 1.386 1.806 9.270 760 3HG2 ILE 99 3HG2 ILE 99 0.189 0.587 8.877 761 1HD1 ILE 99 1HD1 ILE 99 3.001 2.989 8.435 762 2HD1 ILE 99 2HD1 ILE 99 4.616 2.764 7.762 763 3HD1 ILE 99 3HD1 ILE 99 3.214 2.884 6.677 764 H GLU 100 H GLU 100 -0.180 -0.106 5.965 765 HA GLU 100 HA GLU 100 -1.911 -2.382 6.623 766 1HB GLU 100 2HB GLU 100 -2.091 0.004 8.141 767 2HB GLU 100 3HB GLU 100 -3.429 0.138 7.010 768 1HG GLU 100 2HG GLU 100 -2.905 -2.205 8.846 769 2HG GLU 100 3HG GLU 100 -4.138 -0.951 9.032 770 H GLY 101 H GLY 101 -2.921 0.769 5.294 771 1HA GLY 101 2HA GLY 101 -3.506 -0.575 2.716 772 2HA GLY 101 3HA GLY 101 -4.195 0.945 3.329 773 H VAL 102 H VAL 102 -0.912 -0.360 2.838 774 HA VAL 102 HA VAL 102 -0.133 2.126 1.371 775 HB VAL 102 HB VAL 102 1.735 0.206 2.771 776 1HG1 VAL 102 1HG1 VAL 102 3.162 2.414 2.510 777 2HG1 VAL 102 2HG1 VAL 102 2.918 1.356 1.104 778 3HG1 VAL 102 3HG1 VAL 102 1.985 2.848 1.297 779 1HG2 VAL 102 1HG2 VAL 102 1.952 1.922 4.516 780 2HG2 VAL 102 2HG2 VAL 102 0.648 2.864 3.779 781 3HG2 VAL 102 3HG2 VAL 102 0.306 1.274 4.471 782 H ALA 103 H ALA 103 -0.002 1.901 -0.735 783 HA ALA 103 HA ALA 103 -0.150 -0.690 -2.025 784 1HB ALA 103 1HB ALA 103 0.387 2.074 -3.189 785 2HB ALA 103 2HB ALA 103 0.036 0.597 -4.101 786 3HB ALA 103 3HB ALA 103 -1.204 1.297 -3.047 787 H ASN 104 H ASN 104 2.323 1.909 -1.578 788 HA ASN 104 HA ASN 104 4.478 -0.061 -1.701 789 1HB ASN 104 2HB ASN 104 4.490 2.147 -3.811 790 2HB ASN 104 3HB ASN 104 5.725 0.918 -3.548 791 1HD2 ASN 104 1HD2 ASN 104 2.868 1.715 -5.257 792 2HD2 ASN 104 2HD2 ASN 104 2.477 0.104 -5.854 793 H ALA 105 H ALA 105 6.628 1.174 -1.557 794 HA ALA 105 HA ALA 105 6.471 3.883 -0.602 795 1HB ALA 105 1HB ALA 105 7.274 3.526 1.680 796 2HB ALA 105 2HB ALA 105 5.688 2.763 1.445 797 3HB ALA 105 3HB ALA 105 7.160 1.765 1.462 798 HA PRO 106 HA PRO 106 10.615 2.442 -2.158 799 1HB PRO 106 2HB PRO 106 10.943 4.179 -4.262 800 2HB PRO 106 3HB PRO 106 10.089 2.614 -4.377 801 1HG PRO 106 2HG PRO 106 8.903 5.359 -4.076 802 2HG PRO 106 3HG PRO 106 8.353 4.039 -5.136 803 1HD PRO 106 2HD PRO 106 7.183 4.582 -2.698 804 2HD PRO 106 3HD PRO 106 7.272 2.934 -3.375 805 H VAL 107 H VAL 107 12.503 3.314 -1.399 806 HA VAL 107 HA VAL 107 12.381 6.024 -0.195 807 HB VAL 107 HB VAL 107 14.150 3.697 0.611 808 1HG1 VAL 107 1HG1 VAL 107 14.394 5.094 2.682 809 2HG1 VAL 107 2HG1 VAL 107 15.174 5.782 1.248 810 3HG1 VAL 107 3HG1 VAL 107 13.620 6.426 1.837 811 1HG2 VAL 107 1HG2 VAL 107 11.751 3.204 1.141 812 2HG2 VAL 107 2HG2 VAL 107 12.677 3.561 2.608 813 3HG2 VAL 107 3HG2 VAL 107 11.628 4.792 1.915 814 H ASN 108 H ASN 108 13.855 7.514 -0.710 815 HA ASN 108 HA ASN 108 15.294 7.140 -3.233 816 1HB ASN 108 2HB ASN 108 14.978 9.428 -1.271 817 2HB ASN 108 3HB ASN 108 16.109 9.531 -2.609 818 1HD2 ASN 108 1HD2 ASN 108 15.429 9.710 -4.752 819 2HD2 ASN 108 2HD2 ASN 108 13.759 10.058 -5.142 820 H PHE 109 H PHE 109 16.123 7.318 0.194 821 HA PHE 109 HA PHE 109 17.976 7.171 1.390 822 1HB PHE 109 2HB PHE 109 18.883 5.677 -1.066 823 2HB PHE 109 3HB PHE 109 20.097 6.350 -0.017 824 HD1 PHE 109 1HD PHE 109 20.281 5.732 2.360 825 HD2 PHE 109 2HD PHE 109 17.509 3.772 -0.304 826 HE1 PHE 109 1HE PHE 109 20.140 3.836 3.907 827 HE2 PHE 109 2HE PHE 109 17.452 1.816 1.198 828 HZ PHE 109 HZ PHE 109 18.842 1.789 3.279 829 H ALA 110 H ALA 110 18.997 8.300 -1.859 830 HA ALA 110 HA ALA 110 21.272 9.625 -0.808 831 1HB ALA 110 1HB ALA 110 21.112 8.807 -3.136 832 2HB ALA 110 2HB ALA 110 19.823 9.983 -3.483 833 3HB ALA 110 3HB ALA 110 21.473 10.546 -3.121 834 H LEU 111 H LEU 111 18.014 10.693 -1.577 835 HA LEU 111 HA LEU 111 18.553 13.536 -1.012 836 1HB LEU 111 2HB LEU 111 15.929 12.086 -1.473 837 2HB LEU 111 3HB LEU 111 16.215 13.826 -1.556 838 HG LEU 111 HG LEU 111 17.183 11.672 -3.492 839 1HD1 LEU 111 1HD1 LEU 111 15.814 12.879 -5.107 840 2HD1 LEU 111 2HD1 LEU 111 14.826 12.466 -3.692 841 3HD1 LEU 111 3HD1 LEU 111 15.424 14.124 -3.903 842 1HD2 LEU 111 1HD2 LEU 111 18.177 13.541 -4.825 843 2HD2 LEU 111 2HD2 LEU 111 17.897 14.641 -3.457 844 3HD2 LEU 111 3HD2 LEU 111 19.028 13.277 -3.301 845 H GLU 112 H GLU 112 18.170 10.827 0.965 846 HA GLU 112 HA GLU 112 17.246 10.331 2.933 847 1HB GLU 112 2HB GLU 112 17.664 13.317 3.380 848 2HB GLU 112 3HB GLU 112 17.296 12.160 4.658 849 1HG GLU 112 2HG GLU 112 19.302 10.934 4.301 850 2HG GLU 112 3HG GLU 112 19.671 11.746 2.775 851 H THR 113 H THR 113 15.366 10.307 0.987 852 HA THR 113 HA THR 113 12.939 11.317 2.374 853 HB THR 113 HB THR 113 11.936 11.959 0.283 854 HG1 THR 113 1HG THR 113 12.819 10.640 -1.284 855 1HG2 THR 113 1HG2 THR 113 13.576 13.602 1.382 856 2HG2 THR 113 2HG2 THR 113 14.784 12.971 0.238 857 3HG2 THR 113 3HG2 THR 113 13.364 13.787 -0.399 858 H VAL 114 H VAL 114 11.094 10.098 2.182 859 HA VAL 114 HA VAL 114 11.261 7.487 0.796 860 HB VAL 114 HB VAL 114 11.350 6.822 3.048 861 1HG1 VAL 114 1HG1 VAL 114 10.037 7.536 4.836 862 2HG1 VAL 114 2HG1 VAL 114 10.444 9.065 4.041 863 3HG1 VAL 114 3HG1 VAL 114 8.848 8.338 3.806 864 1HG2 VAL 114 1HG2 VAL 114 9.650 5.684 1.524 865 2HG2 VAL 114 2HG2 VAL 114 9.404 5.484 3.268 866 3HG2 VAL 114 3HG2 VAL 114 8.400 6.617 2.353 867 H THR 115 H THR 115 9.791 7.298 -0.750 868 HA THR 115 HA THR 115 7.482 9.149 -0.817 869 HB THR 115 HB THR 115 8.341 6.917 -2.668 870 HG1 THR 115 1HG THR 115 9.192 8.585 -3.919 871 1HG2 THR 115 1HG2 THR 115 6.816 8.041 -4.294 872 2HG2 THR 115 2HG2 THR 115 5.931 7.466 -2.873 873 3HG2 THR 115 3HG2 THR 115 6.330 9.190 -3.027 874 H VAL 116 H VAL 116 5.501 8.400 -0.140 875 HA VAL 116 HA VAL 116 5.167 5.507 0.517 876 HB VAL 116 HB VAL 116 5.457 6.830 2.556 877 1HG1 VAL 116 1HG1 VAL 116 3.883 8.473 3.310 878 2HG1 VAL 116 2HG1 VAL 116 4.521 8.997 1.747 879 3HG1 VAL 116 3HG1 VAL 116 2.899 8.314 1.855 880 1HG2 VAL 116 1HG2 VAL 116 4.131 4.825 2.656 881 2HG2 VAL 116 2HG2 VAL 116 3.363 6.056 3.678 882 3HG2 VAL 116 3HG2 VAL 116 2.692 5.678 2.080 883 H GLU 117 H GLU 117 3.723 4.646 -0.842 884 HA GLU 117 HA GLU 117 1.643 6.376 -2.087 885 1HB GLU 117 2HB GLU 117 2.887 3.708 -2.854 886 2HB GLU 117 3HB GLU 117 1.302 4.208 -3.458 887 1HG GLU 117 2HG GLU 117 2.191 6.189 -4.447 888 2HG GLU 117 3HG GLU 117 3.838 5.823 -3.863 889 H TYR 118 H TYR 118 0.066 6.409 -0.398 890 HA TYR 118 HA TYR 118 -1.046 3.775 0.333 891 1HB TYR 118 2HB TYR 118 -0.890 4.068 2.643 892 2HB TYR 118 3HB TYR 118 0.717 4.519 2.090 893 HD1 TYR 118 HD1 TYR 118 -2.159 5.478 3.983 894 HD2 TYR 118 HD2 TYR 118 0.983 7.182 1.605 895 HE1 TYR 118 HE1 TYR 118 -2.307 7.565 5.273 896 HE2 TYR 118 HE2 TYR 118 0.874 9.269 2.937 897 HH TYR 118 HH TYR 118 -0.091 10.324 4.740 898 H ASN 119 H ASN 119 -3.083 3.888 1.424 899 HA ASN 119 HA ASN 119 -4.696 5.800 -0.059 900 1HB ASN 119 2HB ASN 119 -5.017 3.205 0.447 901 2HB ASN 119 3HB ASN 119 -5.923 3.805 1.825 902 1HD2 ASN 119 1HD2 ASN 119 -7.457 5.924 0.940 903 2HD2 ASN 119 2HD2 ASN 119 -8.199 5.556 -0.596 904 HA PRO 120 HA PRO 120 -4.450 8.294 3.732 905 1HB PRO 120 2HB PRO 120 -5.417 10.668 2.860 906 2HB PRO 120 3HB PRO 120 -3.856 10.019 2.283 907 1HG PRO 120 2HG PRO 120 -6.555 9.753 0.917 908 2HG PRO 120 3HG PRO 120 -5.037 10.382 0.214 909 1HD PRO 120 2HD PRO 120 -5.774 7.795 -0.116 910 2HD PRO 120 3HD PRO 120 -4.067 8.245 0.152 911 H LYS 121 H LYS 121 -7.101 6.792 2.486 912 HA LYS 121 HA LYS 121 -9.072 8.011 4.383 913 1HB LYS 121 2HB LYS 121 -10.664 7.544 2.995 914 2HB LYS 121 3HB LYS 121 -9.414 7.345 1.793 915 1HG LYS 121 2HG LYS 121 -10.723 5.505 1.493 916 2HG LYS 121 3HG LYS 121 -9.410 4.832 2.422 917 1HD LYS 121 2HD LYS 121 -10.705 4.706 4.398 918 2HD LYS 121 3HD LYS 121 -11.919 5.836 3.853 919 1HE LYS 121 2HE LYS 121 -11.530 3.186 2.366 920 2HE LYS 121 3HE LYS 121 -12.245 3.141 3.978 921 1HZ LYS 121 1HZ LYS 121 -13.897 3.170 2.267 922 2HZ LYS 121 2HZ LYS 121 -14.017 4.495 3.226 923 3HZ LYS 121 3HZ LYS 121 -13.373 4.626 1.716 924 H GLU 122 H GLU 122 -7.165 5.090 3.702 925 HA GLU 122 HA GLU 122 -8.507 3.610 5.861 926 1HB GLU 122 2HB GLU 122 -6.990 2.935 3.476 927 2HB GLU 122 3HB GLU 122 -6.243 2.200 4.895 928 1HG GLU 122 2HG GLU 122 -7.726 0.622 4.005 929 2HG GLU 122 3HG GLU 122 -8.527 1.208 5.451 930 H ALA 123 H ALA 123 -5.453 5.380 5.247 931 HA ALA 123 HA ALA 123 -4.881 5.254 8.167 932 1HB ALA 123 1HB ALA 123 -2.488 4.846 7.714 933 2HB ALA 123 2HB ALA 123 -3.485 3.499 7.153 934 3HB ALA 123 3HB ALA 123 -2.838 4.667 5.986 935 H SER 124 H SER 124 -2.731 6.861 8.384 936 HA SER 124 HA SER 124 -2.826 9.178 6.658 937 1HB SER 124 2HB SER 124 -4.875 9.519 8.098 938 2HB SER 124 3HB SER 124 -3.800 9.552 9.511 939 HG SER 124 HG SER 124 -3.908 11.323 7.297 940 H VAL 125 H VAL 125 -1.253 10.928 7.723 941 HA VAL 125 HA VAL 125 1.208 9.938 8.142 942 HB VAL 125 HB VAL 125 1.708 12.116 9.001 943 1HG1 VAL 125 1HG1 VAL 125 1.279 11.622 6.561 944 2HG1 VAL 125 2HG1 VAL 125 -0.302 12.403 6.728 945 3HG1 VAL 125 3HG1 VAL 125 1.174 13.341 7.001 946 1HG2 VAL 125 1HG2 VAL 125 -0.191 12.670 10.448 947 2HG2 VAL 125 2HG2 VAL 125 -0.006 13.905 9.199 948 3HG2 VAL 125 3HG2 VAL 125 -1.287 12.690 9.048 949 H SER 126 H SER 126 -1.228 10.453 10.747 950 HA SER 126 HA SER 126 0.369 10.123 12.987 951 1HB SER 126 2HB SER 126 -2.343 8.811 12.559 952 2HB SER 126 3HB SER 126 -1.674 9.467 14.064 953 HG SER 126 HG SER 126 -1.796 11.548 13.099 954 H ASP 127 H ASP 127 -0.786 7.679 10.681 955 HA ASP 127 HA ASP 127 -0.038 5.366 12.283 956 1HB ASP 127 2HB ASP 127 -1.857 5.365 10.550 957 2HB ASP 127 3HB ASP 127 -0.623 5.614 9.296 958 H LEU 128 H LEU 128 1.342 7.337 9.701 959 HA LEU 128 HA LEU 128 3.645 5.670 9.150 960 1HB LEU 128 2HB LEU 128 3.395 8.660 8.688 961 2HB LEU 128 3HB LEU 128 4.538 7.538 7.950 962 HG LEU 128 HG LEU 128 1.532 7.651 7.524 963 1HD1 LEU 128 1HD1 LEU 128 3.921 8.035 5.677 964 2HD1 LEU 128 2HD1 LEU 128 2.212 8.156 5.200 965 3HD1 LEU 128 3HD1 LEU 128 2.902 9.335 6.332 966 1HD2 LEU 128 1HD2 LEU 128 3.528 5.597 6.487 967 2HD2 LEU 128 2HD2 LEU 128 2.091 5.284 7.488 968 3HD2 LEU 128 3HD2 LEU 128 1.897 5.835 5.824 969 H LYS 129 H LYS 129 3.032 8.482 11.241 970 HA LYS 129 HA LYS 129 5.601 8.759 12.415 971 1HB LYS 129 2HB LYS 129 2.830 9.265 13.535 972 2HB LYS 129 3HB LYS 129 4.319 9.714 14.351 973 1HG LYS 129 2HG LYS 129 4.077 10.635 11.499 974 2HG LYS 129 3HG LYS 129 2.909 11.322 12.638 975 1HD LYS 129 2HD LYS 129 4.783 11.971 14.150 976 2HD LYS 129 3HD LYS 129 5.940 11.350 12.953 977 1HE LYS 129 2HE LYS 129 5.028 12.997 11.277 978 2HE LYS 129 3HE LYS 129 3.906 13.602 12.509 979 1HZ LYS 129 1HZ LYS 129 6.847 13.751 12.595 980 2HZ LYS 129 2HZ LYS 129 5.801 14.998 12.376 981 3HZ LYS 129 3HZ LYS 129 5.848 14.224 13.825 982 H GLU 130 H GLU 130 2.707 6.915 13.629 983 HA GLU 130 HA GLU 130 4.010 5.633 15.785 984 1HB GLU 130 2HB GLU 130 1.662 4.945 14.008 985 2HB GLU 130 3HB GLU 130 2.233 3.739 15.153 986 1HG GLU 130 2HG GLU 130 1.620 6.588 16.037 987 2HG GLU 130 3HG GLU 130 0.378 5.334 15.953 988 H ALA 131 H ALA 131 3.825 4.592 12.390 989 HA ALA 131 HA ALA 131 5.076 2.067 12.765 990 1HB ALA 131 1HB ALA 131 5.267 2.057 10.312 991 2HB ALA 131 2HB ALA 131 3.659 2.605 10.834 992 3HB ALA 131 3HB ALA 131 4.858 3.786 10.261 993 H VAL 132 H VAL 132 6.420 5.301 11.837 994 HA VAL 132 HA VAL 132 9.036 4.156 11.395 995 HB VAL 132 HB VAL 132 8.090 6.215 10.277 996 1HG1 VAL 132 1HG1 VAL 132 8.613 8.392 11.343 997 2HG1 VAL 132 2HG1 VAL 132 7.374 7.496 12.183 998 3HG1 VAL 132 3HG1 VAL 132 9.014 7.574 12.851 999 1HG2 VAL 132 1HG2 VAL 132 10.862 5.979 11.466 1000 2HG2 VAL 132 2HG2 VAL 132 10.286 5.490 9.856 1001 3HG2 VAL 132 3HG2 VAL 132 10.478 7.205 10.250 1002 H ASP 133 H ASP 133 7.378 5.827 14.102 1003 HA ASP 133 HA ASP 133 9.608 6.019 15.811 1004 1HB ASP 133 2HB ASP 133 6.595 5.997 16.175 1005 2HB ASP 133 3HB ASP 133 7.662 5.910 17.562 1006 H LYS 134 H LYS 134 7.235 3.386 15.251 1007 HA LYS 134 HA LYS 134 8.286 1.566 17.118 1008 1HB LYS 134 2HB LYS 134 6.787 1.278 14.527 1009 2HB LYS 134 3HB LYS 134 7.483 -0.169 15.235 1010 1HG LYS 134 2HG LYS 134 5.674 1.721 16.793 1011 2HG LYS 134 3HG LYS 134 5.081 0.381 15.806 1012 1HD LYS 134 2HD LYS 134 6.595 -1.194 17.153 1013 2HD LYS 134 3HD LYS 134 6.987 0.168 18.196 1014 1HE LYS 134 2HE LYS 134 5.305 -1.122 19.294 1015 2HE LYS 134 3HE LYS 134 4.592 0.425 18.810 1016 1HZ LYS 134 1HZ LYS 134 3.157 -1.449 18.359 1017 2HZ LYS 134 2HZ LYS 134 3.561 -0.691 16.963 1018 3HZ LYS 134 3HZ LYS 134 4.273 -2.126 17.360 1019 H LEU 135 H LEU 135 9.831 2.541 14.067 1020 HA LEU 135 HA LEU 135 11.844 0.356 14.362 1021 1HB LEU 135 2HB LEU 135 11.759 2.789 12.538 1022 2HB LEU 135 3HB LEU 135 13.118 1.686 12.703 1023 HG LEU 135 HG LEU 135 11.985 1.191 10.713 1024 1HD1 LEU 135 1HD1 LEU 135 11.651 -1.142 10.865 1025 2HD1 LEU 135 2HD1 LEU 135 12.918 -0.725 12.032 1026 3HD1 LEU 135 3HD1 LEU 135 11.267 -1.070 12.600 1027 1HD2 LEU 135 1HD2 LEU 135 9.768 2.080 11.363 1028 2HD2 LEU 135 2HD2 LEU 135 9.712 0.536 10.523 1029 3HD2 LEU 135 3HD2 LEU 135 9.453 0.582 12.276 1030 H GLY 136 H GLY 136 11.456 3.854 14.838 1031 1HA GLY 136 2HA GLY 136 12.403 4.988 16.734 1032 2HA GLY 136 3HA GLY 136 13.805 3.912 16.705 1033 H TYR 137 H TYR 137 12.044 5.915 14.279 1034 HA TYR 137 HA TYR 137 14.317 7.704 13.939 1035 1HB TYR 137 2HB TYR 137 13.028 6.451 11.489 1036 2HB TYR 137 3HB TYR 137 14.388 7.547 11.532 1037 HD1 TYR 137 HD1 TYR 137 13.332 4.140 11.443 1038 HD2 TYR 137 HD2 TYR 137 16.573 6.641 12.762 1039 HE1 TYR 137 HE1 TYR 137 14.878 2.192 11.342 1040 HE2 TYR 137 HE2 TYR 137 18.062 4.667 12.842 1041 HH TYR 137 HH TYR 137 18.291 2.458 12.170 1042 H LYS 138 H LYS 138 13.234 9.529 12.140 1043 HA LYS 138 HA LYS 138 10.375 9.778 12.896 1044 1HB LYS 138 2HB LYS 138 10.724 12.005 13.678 1045 2HB LYS 138 3HB LYS 138 11.798 10.911 14.564 1046 1HG LYS 138 2HG LYS 138 13.591 11.567 12.759 1047 2HG LYS 138 3HG LYS 138 12.465 12.874 12.360 1048 1HD LYS 138 2HD LYS 138 12.532 13.322 14.939 1049 2HD LYS 138 3HD LYS 138 14.022 12.346 14.905 1050 1HE LYS 138 2HE LYS 138 14.935 13.837 13.143 1051 2HE LYS 138 3HE LYS 138 13.450 14.808 13.164 1052 1HZ LYS 138 1HZ LYS 138 14.068 15.468 15.408 1053 2HZ LYS 138 2HZ LYS 138 15.485 14.599 15.271 1054 3HZ LYS 138 3HZ LYS 138 15.160 15.832 14.220 1055 H LEU 139 H LEU 139 9.140 10.653 11.359 1056 HA LEU 139 HA LEU 139 10.349 11.269 8.719 1057 1HB LEU 139 2HB LEU 139 7.534 10.576 9.557 1058 2HB LEU 139 3HB LEU 139 7.996 11.080 7.925 1059 HG LEU 139 HG LEU 139 9.185 8.668 9.312 1060 1HD1 LEU 139 1HD1 LEU 139 7.674 7.357 7.864 1061 2HD1 LEU 139 2HD1 LEU 139 6.779 8.398 8.989 1062 3HD1 LEU 139 3HD1 LEU 139 6.948 8.877 7.283 1063 1HD2 LEU 139 1HD2 LEU 139 9.249 9.521 6.396 1064 2HD2 LEU 139 2HD2 LEU 139 10.638 9.519 7.504 1065 3HD2 LEU 139 3HD2 LEU 139 9.876 7.995 7.065 1066 H LYS 140 H LYS 140 9.880 13.079 7.653 1067 HA LYS 140 HA LYS 140 8.205 15.213 8.886 1068 1HB LYS 140 2HB LYS 140 10.785 15.689 7.335 1069 2HB LYS 140 3HB LYS 140 9.736 16.897 8.089 1070 1HG LYS 140 2HG LYS 140 10.265 15.604 10.330 1071 2HG LYS 140 3HG LYS 140 11.527 14.807 9.368 1072 1HD LYS 140 2HD LYS 140 12.624 16.550 10.383 1073 2HD LYS 140 3HD LYS 140 12.380 17.106 8.722 1074 1HE LYS 140 2HE LYS 140 10.300 18.389 9.670 1075 2HE LYS 140 3HE LYS 140 10.878 17.909 11.273 1076 1HZ LYS 140 1HZ LYS 140 13.000 18.991 10.676 1077 2HZ LYS 140 2HZ LYS 140 12.294 19.572 9.309 1078 3HZ LYS 140 3HZ LYS 140 11.716 20.043 10.776 1079 H LEU 141 H LEU 141 7.744 16.859 6.966 1080 HA LEU 141 HA LEU 141 6.696 15.185 4.719 1081 1HB LEU 141 2HB LEU 141 5.543 17.713 5.971 1082 2HB LEU 141 3HB LEU 141 4.856 16.705 4.704 1083 HG LEU 141 HG LEU 141 5.203 14.808 6.642 1084 1HD1 LEU 141 1HD1 LEU 141 4.485 17.381 8.123 1085 2HD1 LEU 141 2HD1 LEU 141 4.462 15.740 8.799 1086 3HD1 LEU 141 3HD1 LEU 141 5.999 16.482 8.332 1087 1HD2 LEU 141 1HD2 LEU 141 3.164 15.184 5.386 1088 2HD2 LEU 141 2HD2 LEU 141 2.778 15.125 7.116 1089 3HD2 LEU 141 3HD2 LEU 141 2.838 16.689 6.271 1090 H LYS 142 H LYS 142 7.341 15.808 2.641 1091 HA LYS 142 HA LYS 142 9.021 18.233 2.432 1092 1HB LYS 142 2HB LYS 142 8.200 16.184 0.351 1093 2HB LYS 142 3HB LYS 142 9.342 17.527 0.141 1094 1HG LYS 142 2HG LYS 142 10.419 16.490 2.362 1095 2HG LYS 142 3HG LYS 142 9.581 15.031 1.832 1096 1HD LYS 142 2HD LYS 142 11.686 14.782 0.948 1097 2HD LYS 142 3HD LYS 142 10.787 15.405 -0.449 1098 1HE LYS 142 2HE LYS 142 11.679 17.710 0.059 1099 2HE LYS 142 3HE LYS 142 12.522 17.072 1.484 1100 1HZ LYS 142 1HZ LYS 142 13.902 15.779 0.091 1101 2HZ LYS 142 2HZ LYS 142 13.095 16.248 -1.276 1102 3HZ LYS 142 3HZ LYS 142 13.963 17.339 -0.400 1103 H GLY 143 H GLY 143 7.301 19.614 3.160 1104 1HA GLY 143 2HA GLY 143 6.144 21.526 2.485 1105 2HA GLY 143 3HA GLY 143 6.105 20.940 0.816 1106 H GLU 144 H GLU 144 4.810 18.662 0.762 1107 HA GLU 144 HA GLU 144 2.640 17.904 0.559 1108 1HB GLU 144 2HB GLU 144 3.394 17.985 3.455 1109 2HB GLU 144 3HB GLU 144 1.699 17.758 3.163 1110 1HG GLU 144 2HG GLU 144 3.108 15.968 1.351 1111 2HG GLU 144 3HG GLU 144 3.808 15.803 2.946 1112 H GLN 145 H GLN 145 2.590 20.270 -0.332 1113 HA GLN 145 HA GLN 145 -0.030 21.104 -0.249 1114 1HB GLN 145 2HB GLN 145 1.141 22.118 2.129 1115 2HB GLN 145 3HB GLN 145 1.313 23.440 1.001 1116 1HG GLN 145 2HG GLN 145 -0.794 23.751 2.066 1117 2HG GLN 145 3HG GLN 145 -1.163 23.177 0.432 1118 1HE2 GLN 145 1HE2 GLN 145 -0.569 21.888 3.768 1119 2HE2 GLN 145 2HE2 GLN 145 -1.813 20.660 3.652 1120 H ASP 146 H ASP 146 3.309 22.120 -0.546 1121 HA ASP 146 HA ASP 146 4.529 23.304 -1.939 1122 1HB ASP 146 2HB ASP 146 4.036 21.494 -3.515 1123 2HB ASP 146 3HB ASP 146 2.659 22.421 -4.142 1124 H SER 147 H SER 147 4.489 25.375 -1.419 1125 HA SER 147 HA SER 147 3.865 27.570 -1.307 1126 1HB SER 147 2HB SER 147 2.760 27.037 -4.101 1127 2HB SER 147 3HB SER 147 3.426 28.544 -3.460 1128 HG SER 147 HG SER 147 4.805 26.083 -3.989 1129 H ILE 148 H ILE 148 1.912 25.575 -0.360 1130 HA ILE 148 HA ILE 148 -0.148 25.338 0.416 1131 HB ILE 148 HB ILE 148 -0.157 28.357 0.368 1132 1HG1 ILE 148 2HG1 ILE 148 0.541 26.576 2.731 1133 2HG1 ILE 148 3HG1 ILE 148 1.789 27.086 1.599 1134 1HG2 ILE 148 1HG2 ILE 148 -1.859 26.315 1.879 1135 2HG2 ILE 148 2HG2 ILE 148 -1.684 27.979 2.447 1136 3HG2 ILE 148 3HG2 ILE 148 -2.433 27.677 0.898 1137 1HD1 ILE 148 1HD1 ILE 148 1.299 29.447 1.999 1138 2HD1 ILE 148 2HD1 ILE 148 0.095 29.002 3.228 1139 3HD1 ILE 148 3HD1 ILE 148 1.796 28.581 3.463 1140 H GLU 149 H GLU 149 -0.110 24.591 -2.146 1141 HA GLU 149 HA GLU 149 -2.383 25.822 -3.529 1142 1HB GLU 149 2HB GLU 149 -0.480 24.677 -4.713 1143 2HB GLU 149 3HB GLU 149 -1.065 23.135 -4.068 1144 1HG GLU 149 2HG GLU 149 -3.248 23.489 -5.192 1145 2HG GLU 149 3HG GLU 149 -2.710 25.080 -5.763 1146 H GLY 150 H GLY 150 -4.289 25.672 -2.400 1147 1HA GLY 150 2HA GLY 150 -5.593 23.168 -2.113 1148 2HA GLY 150 3HA GLY 150 -4.991 23.658 -0.520 1149 H ARG 151 H ARG 151 -5.942 25.535 0.541 1150 HA ARG 151 HA ARG 151 -7.829 27.230 -0.743 1151 1HB ARG 151 2HB ARG 151 -9.203 25.158 -0.430 1152 2HB ARG 151 3HB ARG 151 -8.824 25.157 1.295 1153 1HG ARG 151 2HG ARG 151 -10.068 27.607 0.025 1154 2HG ARG 151 3HG ARG 151 -11.082 26.182 0.313 1155 1HD ARG 151 2HD ARG 151 -10.635 26.215 2.690 1156 2HD ARG 151 3HD ARG 151 -9.438 27.504 2.490 1157 HE ARG 151 HE ARG 151 -12.012 28.267 1.441 1158 1HH1 ARG 151 2HH2 ARG 151 -10.068 28.064 4.364 1159 2HH1 ARG 151 1HH2 ARG 151 -10.938 29.278 5.249 1160 1HH2 ARG 151 2HH1 ARG 151 -13.184 29.927 2.548 1161 2HH2 ARG 151 1HH1 ARG 151 -12.757 30.378 4.167 Start of MODEL 27 1 1H MET 1 H1 MET 1 9.177 -8.626 3.367 2 2H MET 1 H2 MET 1 7.905 -7.626 2.992 3 3H MET 1 H3 MET 1 7.779 -8.735 4.221 4 HA MET 1 HA MET 1 6.570 -9.475 2.358 5 1HB MET 1 2HB MET 1 9.317 -9.539 1.007 6 2HB MET 1 3HB MET 1 7.863 -10.365 0.424 7 1HG MET 1 2HG MET 1 6.720 -8.020 0.604 8 2HG MET 1 3HG MET 1 8.370 -7.387 0.589 9 1HE MET 1 1HE MET 1 9.517 -8.507 -3.017 10 2HE MET 1 2HE MET 1 9.985 -7.619 -1.548 11 3HE MET 1 3HE MET 1 9.792 -9.393 -1.502 12 H LEU 2 H LEU 2 9.088 -11.687 1.710 13 HA LEU 2 HA LEU 2 9.696 -13.640 2.654 14 1HB LEU 2 2HB LEU 2 9.468 -12.007 4.987 15 2HB LEU 2 3HB LEU 2 8.521 -13.430 5.356 16 HG LEU 2 HG LEU 2 10.795 -13.561 6.155 17 1HD1 LEU 2 1HD1 LEU 2 9.807 -15.691 5.509 18 2HD1 LEU 2 2HD1 LEU 2 10.433 -15.519 3.850 19 3HD1 LEU 2 3HD1 LEU 2 11.550 -15.689 5.215 20 1HD2 LEU 2 1HD2 LEU 2 11.823 -12.037 4.484 21 2HD2 LEU 2 2HD2 LEU 2 12.759 -13.513 4.768 22 3HD2 LEU 2 3HD2 LEU 2 11.803 -13.351 3.288 23 H SER 3 H SER 3 8.193 -15.435 4.301 24 HA SER 3 HA SER 3 5.876 -15.981 2.633 25 1HB SER 3 2HB SER 3 6.610 -17.249 5.299 26 2HB SER 3 3HB SER 3 5.743 -17.979 3.933 27 HG SER 3 HG SER 3 7.721 -17.732 2.728 28 H GLU 4 H GLU 4 3.958 -16.796 4.423 29 HA GLU 4 HA GLU 4 2.426 -16.368 5.900 30 1HB GLU 4 2HB GLU 4 4.273 -15.152 7.247 31 2HB GLU 4 3HB GLU 4 3.589 -13.680 6.543 32 1HG GLU 4 2HG GLU 4 2.493 -13.843 8.615 33 2HG GLU 4 3HG GLU 4 1.304 -14.583 7.538 34 H GLN 5 H GLN 5 0.485 -15.931 5.117 35 HA GLN 5 HA GLN 5 0.083 -14.247 2.814 36 1HB GLN 5 2HB GLN 5 -2.033 -15.272 4.776 37 2HB GLN 5 3HB GLN 5 -2.288 -14.646 3.139 38 1HG GLN 5 2HG GLN 5 -0.932 -17.232 3.941 39 2HG GLN 5 3HG GLN 5 -2.413 -17.027 2.998 40 1HE2 GLN 5 1HE2 GLN 5 0.812 -17.773 2.714 41 2HE2 GLN 5 2HE2 GLN 5 1.204 -17.091 1.164 42 H LYS 6 H LYS 6 -0.008 -12.105 2.758 43 HA LYS 6 HA LYS 6 -0.328 -10.585 5.318 44 1HB LYS 6 2HB LYS 6 0.315 -8.677 4.125 45 2HB LYS 6 3HB LYS 6 1.473 -9.928 3.676 46 1HG LYS 6 2HG LYS 6 0.667 -10.108 1.486 47 2HG LYS 6 3HG LYS 6 -0.943 -9.570 1.849 48 1HD LYS 6 2HD LYS 6 -0.394 -7.665 0.901 49 2HD LYS 6 3HD LYS 6 0.159 -7.256 2.509 50 1HE LYS 6 2HE LYS 6 1.890 -6.655 0.982 51 2HE LYS 6 3HE LYS 6 2.471 -8.125 1.824 52 1HZ LYS 6 1HZ LYS 6 1.612 -9.342 -0.151 53 2HZ LYS 6 2HZ LYS 6 1.250 -7.895 -0.839 54 3HZ LYS 6 3HZ LYS 6 2.818 -8.289 -0.549 55 H GLU 7 H GLU 7 -1.963 -8.808 5.331 56 HA GLU 7 HA GLU 7 -4.232 -9.062 3.448 57 1HB GLU 7 2HB GLU 7 -4.262 -7.640 6.131 58 2HB GLU 7 3HB GLU 7 -5.580 -8.336 5.201 59 1HG GLU 7 2HG GLU 7 -5.355 -9.888 6.911 60 2HG GLU 7 3HG GLU 7 -4.302 -10.645 5.719 61 H ILE 8 H ILE 8 -3.900 -7.501 1.854 62 HA ILE 8 HA ILE 8 -2.813 -4.829 2.728 63 HB ILE 8 HB ILE 8 -1.995 -6.121 0.604 64 1HG1 ILE 8 2HG1 ILE 8 -1.864 -3.797 -0.608 65 2HG1 ILE 8 3HG1 ILE 8 -2.522 -3.178 0.918 66 1HG2 ILE 8 1HG2 ILE 8 -4.398 -4.722 -0.597 67 2HG2 ILE 8 2HG2 ILE 8 -3.143 -5.644 -1.439 68 3HG2 ILE 8 3HG2 ILE 8 -4.239 -6.478 -0.313 69 1HD1 ILE 8 1HD1 ILE 8 -0.054 -3.151 0.927 70 2HD1 ILE 8 2HD1 ILE 8 -0.614 -4.353 2.109 71 3HD1 ILE 8 3HD1 ILE 8 -0.007 -4.876 0.518 72 H ALA 9 H ALA 9 -4.375 -3.295 3.281 73 HA ALA 9 HA ALA 9 -7.133 -3.683 2.172 74 1HB ALA 9 1HB ALA 9 -7.075 -4.065 4.586 75 2HB ALA 9 2HB ALA 9 -6.295 -2.483 4.832 76 3HB ALA 9 3HB ALA 9 -7.952 -2.575 4.188 77 H MET 10 H MET 10 -7.855 -2.037 0.892 78 HA MET 10 HA MET 10 -6.845 0.711 1.261 79 1HB MET 10 2HB MET 10 -6.304 -0.886 -1.265 80 2HB MET 10 3HB MET 10 -6.377 0.869 -1.237 81 1HG MET 10 2HG MET 10 -4.563 0.788 0.619 82 2HG MET 10 3HG MET 10 -4.357 -0.896 0.133 83 1HE MET 10 1HE MET 10 -1.540 -0.370 -2.158 84 2HE MET 10 2HE MET 10 -1.835 -0.531 -0.409 85 3HE MET 10 3HE MET 10 -2.701 -1.573 -1.568 86 H GLN 11 H GLN 11 -8.029 2.274 -0.022 87 HA GLN 11 HA GLN 11 -10.776 1.486 -0.640 88 1HB GLN 11 2HB GLN 11 -9.544 3.825 0.449 89 2HB GLN 11 3HB GLN 11 -10.203 4.297 -1.121 90 1HG GLN 11 2HG GLN 11 -12.378 3.240 -0.474 91 2HG GLN 11 3HG GLN 11 -11.672 2.884 1.126 92 1HE2 GLN 11 1HE2 GLN 11 -12.511 4.315 2.587 93 2HE2 GLN 11 2HE2 GLN 11 -12.829 6.015 2.271 94 H VAL 12 H VAL 12 -11.569 1.245 -2.664 95 HA VAL 12 HA VAL 12 -9.962 2.059 -5.006 96 HB VAL 12 HB VAL 12 -9.689 -0.322 -4.543 97 1HG1 VAL 12 1HG1 VAL 12 -11.685 -1.858 -4.714 98 2HG1 VAL 12 2HG1 VAL 12 -11.667 -0.875 -3.237 99 3HG1 VAL 12 3HG1 VAL 12 -12.736 -0.450 -4.556 100 1HG2 VAL 12 1HG2 VAL 12 -10.460 -1.229 -6.675 101 2HG2 VAL 12 2HG2 VAL 12 -11.518 0.177 -6.895 102 3HG2 VAL 12 3HG2 VAL 12 -9.760 0.394 -6.856 103 H SER 13 H SER 13 -11.207 2.647 -6.866 104 HA SER 13 HA SER 13 -14.026 3.431 -6.223 105 1HB SER 13 2HB SER 13 -12.241 4.749 -8.231 106 2HB SER 13 3HB SER 13 -13.684 5.397 -7.435 107 HG SER 13 HG SER 13 -11.712 6.260 -6.544 108 H GLY 14 H GLY 14 -15.339 3.851 -8.187 109 1HA GLY 14 2HA GLY 14 -16.124 3.355 -10.317 110 2HA GLY 14 3HA GLY 14 -14.765 2.274 -10.611 111 H MET 15 H MET 15 -16.191 1.789 -7.547 112 HA MET 15 HA MET 15 -17.316 -0.780 -8.285 113 1HB MET 15 2HB MET 15 -17.105 0.766 -5.675 114 2HB MET 15 3HB MET 15 -18.009 -0.753 -5.816 115 1HG MET 15 2HG MET 15 -15.756 -1.239 -5.060 116 2HG MET 15 3HG MET 15 -16.057 -1.917 -6.659 117 1HE MET 15 1HE MET 15 -12.808 -1.200 -8.167 118 2HE MET 15 2HE MET 15 -13.489 -2.356 -6.989 119 3HE MET 15 3HE MET 15 -14.433 -1.859 -8.427 120 H THR 16 H THR 16 -18.904 -0.215 -9.807 121 HA THR 16 HA THR 16 -21.095 1.553 -9.122 122 HB THR 16 HB THR 16 -21.106 -0.668 -11.207 123 HG1 THR 16 1HG THR 16 -19.964 1.916 -11.233 124 1HG2 THR 16 1HG2 THR 16 -22.554 2.017 -11.015 125 2HG2 THR 16 2HG2 THR 16 -22.589 0.928 -12.417 126 3HG2 THR 16 3HG2 THR 16 -23.294 0.409 -10.878 127 H CYS 17 H CYS 17 -20.377 -1.871 -8.597 128 HA CYS 17 HA CYS 17 -22.570 -2.244 -6.805 129 1HB CYS 17 2HB CYS 17 -23.709 -2.253 -9.192 130 2HB CYS 17 3HB CYS 17 -22.890 -3.811 -9.394 131 HG CYS 17 HG CYS 17 -24.969 -2.759 -7.056 132 H ALA 18 H ALA 18 -22.724 -4.669 -6.245 133 HA ALA 18 HA ALA 18 -20.362 -5.893 -5.568 134 1HB ALA 18 1HB ALA 18 -22.567 -6.539 -4.709 135 2HB ALA 18 2HB ALA 18 -23.000 -7.222 -6.295 136 3HB ALA 18 3HB ALA 18 -21.689 -7.946 -5.337 137 H ALA 19 H ALA 19 -21.970 -6.051 -8.746 138 HA ALA 19 HA ALA 19 -20.518 -8.193 -9.866 139 1HB ALA 19 1HB ALA 19 -21.034 -7.145 -12.032 140 2HB ALA 19 2HB ALA 19 -22.443 -7.125 -10.952 141 3HB ALA 19 3HB ALA 19 -21.498 -5.639 -11.209 142 H CYS 20 H CYS 20 -19.514 -4.789 -9.391 143 HA CYS 20 HA CYS 20 -17.216 -4.907 -11.194 144 1HB CYS 20 2HB CYS 20 -18.062 -2.983 -8.974 145 2HB CYS 20 3HB CYS 20 -16.587 -2.773 -9.924 146 HG CYS 20 HG CYS 20 -19.532 -3.261 -11.273 147 H ALA 21 H ALA 21 -17.657 -4.692 -7.703 148 HA ALA 21 HA ALA 21 -15.189 -5.480 -6.697 149 1HB ALA 21 1HB ALA 21 -16.771 -6.701 -4.910 150 2HB ALA 21 2HB ALA 21 -16.845 -4.933 -5.097 151 3HB ALA 21 3HB ALA 21 -18.060 -5.977 -5.847 152 H ALA 22 H ALA 22 -17.807 -7.826 -7.396 153 HA ALA 22 HA ALA 22 -16.313 -10.155 -6.992 154 1HB ALA 22 1HB ALA 22 -18.673 -9.722 -8.867 155 2HB ALA 22 2HB ALA 22 -18.088 -11.286 -8.258 156 3HB ALA 22 3HB ALA 22 -18.763 -10.096 -7.129 157 H ARG 23 H ARG 23 -16.571 -8.153 -9.966 158 HA ARG 23 HA ARG 23 -15.215 -10.011 -11.660 159 1HB ARG 23 2HB ARG 23 -15.870 -7.073 -11.739 160 2HB ARG 23 3HB ARG 23 -14.507 -7.588 -12.713 161 1HG ARG 23 2HG ARG 23 -17.283 -8.813 -12.840 162 2HG ARG 23 3HG ARG 23 -16.632 -7.580 -13.934 163 1HD ARG 23 2HD ARG 23 -14.636 -9.579 -13.906 164 2HD ARG 23 3HD ARG 23 -16.113 -10.513 -13.900 165 HE ARG 23 HE ARG 23 -14.939 -8.964 -16.048 166 1HH1 ARG 23 2HH2 ARG 23 -18.072 -9.857 -14.755 167 2HH1 ARG 23 1HH2 ARG 23 -18.935 -9.752 -16.262 168 1HH2 ARG 23 2HH1 ARG 23 -16.029 -8.743 -18.082 169 2HH2 ARG 23 1HH1 ARG 23 -17.724 -9.076 -18.204 170 H ILE 24 H ILE 24 -14.028 -7.418 -9.426 171 HA ILE 24 HA ILE 24 -11.278 -7.822 -10.204 172 HB ILE 24 HB ILE 24 -12.549 -6.606 -7.744 173 1HG1 ILE 24 2HG1 ILE 24 -11.037 -5.204 -9.993 174 2HG1 ILE 24 3HG1 ILE 24 -12.766 -5.542 -10.153 175 1HG2 ILE 24 1HG2 ILE 24 -9.655 -6.744 -8.545 176 2HG2 ILE 24 2HG2 ILE 24 -10.317 -5.644 -7.304 177 3HG2 ILE 24 3HG2 ILE 24 -10.447 -7.380 -7.075 178 1HD1 ILE 24 1HD1 ILE 24 -13.264 -4.341 -8.104 179 2HD1 ILE 24 2HD1 ILE 24 -11.542 -3.902 -7.910 180 3HD1 ILE 24 3HD1 ILE 24 -12.455 -3.312 -9.300 181 H GLU 25 H GLU 25 -13.308 -9.070 -7.476 182 HA GLU 25 HA GLU 25 -11.297 -10.592 -6.233 183 1HB GLU 25 2HB GLU 25 -14.268 -11.216 -6.476 184 2HB GLU 25 3HB GLU 25 -13.157 -11.962 -5.319 185 1HG GLU 25 2HG GLU 25 -12.691 -9.796 -4.277 186 2HG GLU 25 3HG GLU 25 -13.730 -8.971 -5.439 187 H LYS 26 H LYS 26 -13.557 -11.618 -8.845 188 HA LYS 26 HA LYS 26 -12.566 -14.223 -9.215 189 1HB LYS 26 2HB LYS 26 -14.714 -13.485 -9.971 190 2HB LYS 26 3HB LYS 26 -14.007 -12.275 -11.041 191 1HG LYS 26 2HG LYS 26 -13.430 -13.732 -12.630 192 2HG LYS 26 3HG LYS 26 -12.973 -15.011 -11.508 193 1HD LYS 26 2HD LYS 26 -15.880 -14.238 -12.009 194 2HD LYS 26 3HD LYS 26 -15.065 -15.402 -13.047 195 1HE LYS 26 2HE LYS 26 -15.353 -15.714 -10.010 196 2HE LYS 26 3HE LYS 26 -16.442 -16.431 -11.200 197 1HZ LYS 26 1HZ LYS 26 -14.591 -17.664 -12.091 198 2HZ LYS 26 2HZ LYS 26 -13.565 -17.016 -10.978 199 3HZ LYS 26 3HZ LYS 26 -14.796 -17.988 -10.496 200 H GLY 27 H GLY 27 -11.671 -11.107 -10.772 201 1HA GLY 27 2HA GLY 27 -9.723 -12.099 -12.585 202 2HA GLY 27 3HA GLY 27 -9.793 -10.468 -11.893 203 H LEU 28 H LEU 28 -9.523 -11.126 -9.153 204 HA LEU 28 HA LEU 28 -6.700 -11.298 -8.987 205 1HB LEU 28 2HB LEU 28 -8.943 -10.893 -7.081 206 2HB LEU 28 3HB LEU 28 -7.455 -11.530 -6.393 207 HG LEU 28 HG LEU 28 -7.415 -9.017 -8.153 208 1HD1 LEU 28 1HD1 LEU 28 -8.848 -8.734 -6.206 209 2HD1 LEU 28 2HD1 LEU 28 -7.544 -9.319 -5.159 210 3HD1 LEU 28 3HD1 LEU 28 -7.338 -7.801 -6.082 211 1HD2 LEU 28 1HD2 LEU 28 -5.272 -10.541 -7.695 212 2HD2 LEU 28 2HD2 LEU 28 -5.261 -8.801 -7.515 213 3HD2 LEU 28 3HD2 LEU 28 -5.418 -9.859 -6.078 214 H LYS 29 H LYS 29 -9.322 -13.545 -8.070 215 HA LYS 29 HA LYS 29 -7.728 -15.577 -6.972 216 1HB LYS 29 2HB LYS 29 -10.491 -15.258 -7.645 217 2HB LYS 29 3HB LYS 29 -9.960 -16.706 -8.480 218 1HG LYS 29 2HG LYS 29 -10.644 -17.535 -6.399 219 2HG LYS 29 3HG LYS 29 -8.894 -17.419 -6.237 220 1HD LYS 29 2HD LYS 29 -9.545 -16.390 -4.237 221 2HD LYS 29 3HD LYS 29 -9.389 -14.996 -5.298 222 1HE LYS 29 2HE LYS 29 -11.427 -14.622 -4.189 223 2HE LYS 29 3HE LYS 29 -11.924 -15.223 -5.773 224 1HZ LYS 29 1HZ LYS 29 -12.199 -17.411 -4.706 225 2HZ LYS 29 2HZ LYS 29 -11.779 -16.758 -3.252 226 3HZ LYS 29 3HZ LYS 29 -13.144 -16.258 -4.007 227 H ARG 30 H ARG 30 -7.870 -14.594 -10.265 228 HA ARG 30 HA ARG 30 -7.028 -16.947 -11.587 229 1HB ARG 30 2HB ARG 30 -7.771 -14.549 -12.401 230 2HB ARG 30 3HB ARG 30 -6.056 -14.168 -12.299 231 1HG ARG 30 2HG ARG 30 -5.804 -15.049 -14.367 232 2HG ARG 30 3HG ARG 30 -6.254 -16.645 -13.745 233 1HD ARG 30 2HD ARG 30 -8.664 -16.054 -14.053 234 2HD ARG 30 3HD ARG 30 -8.167 -14.467 -14.699 235 HE ARG 30 HE ARG 30 -6.904 -16.557 -16.183 236 1HH1 ARG 30 2HH2 ARG 30 -10.052 -15.070 -15.688 237 2HH1 ARG 30 1HH2 ARG 30 -10.680 -15.443 -17.265 238 1HH2 ARG 30 2HH1 ARG 30 -7.699 -17.092 -18.310 239 2HH2 ARG 30 1HH1 ARG 30 -9.297 -16.632 -18.787 240 H MET 31 H MET 31 -5.282 -14.723 -9.449 241 HA MET 31 HA MET 31 -2.627 -15.615 -10.340 242 1HB MET 31 2HB MET 31 -3.543 -13.779 -8.106 243 2HB MET 31 3HB MET 31 -1.853 -14.053 -8.512 244 1HG MET 31 2HG MET 31 -3.648 -13.070 -10.725 245 2HG MET 31 3HG MET 31 -3.294 -11.978 -9.394 246 1HE MET 31 1HE MET 31 -1.724 -14.024 -12.355 247 2HE MET 31 2HE MET 31 -0.016 -13.531 -12.249 248 3HE MET 31 3HE MET 31 -0.696 -14.600 -11.016 249 HA PRO 32 HA PRO 32 -2.598 -18.910 -7.395 250 1HB PRO 32 2HB PRO 32 0.055 -19.419 -7.022 251 2HB PRO 32 3HB PRO 32 -0.782 -19.715 -8.571 252 1HG PRO 32 2HG PRO 32 0.881 -17.310 -7.794 253 2HG PRO 32 3HG PRO 32 0.983 -18.270 -9.293 254 1HD PRO 32 2HD PRO 32 -0.427 -15.931 -9.152 255 2HD PRO 32 3HD PRO 32 -0.997 -17.303 -10.157 256 H GLY 33 H GLY 33 -0.500 -16.062 -6.469 257 1HA GLY 33 2HA GLY 33 -0.160 -16.967 -3.773 258 2HA GLY 33 3HA GLY 33 0.182 -15.358 -4.417 259 H VAL 34 H VAL 34 -2.790 -15.394 -5.447 260 HA VAL 34 HA VAL 34 -3.940 -13.953 -3.231 261 HB VAL 34 HB VAL 34 -5.035 -14.952 -5.862 262 1HG1 VAL 34 1HG1 VAL 34 -6.927 -15.047 -4.322 263 2HG1 VAL 34 2HG1 VAL 34 -6.498 -13.459 -3.643 264 3HG1 VAL 34 3HG1 VAL 34 -7.066 -13.603 -5.322 265 1HG2 VAL 34 1HG2 VAL 34 -5.118 -12.524 -6.316 266 2HG2 VAL 34 2HG2 VAL 34 -4.554 -12.171 -4.677 267 3HG2 VAL 34 3HG2 VAL 34 -3.478 -12.977 -5.835 268 H THR 35 H THR 35 -4.344 -14.893 -1.364 269 HA THR 35 HA THR 35 -5.121 -17.718 -1.267 270 HB THR 35 HB THR 35 -4.559 -15.665 0.885 271 HG1 THR 35 1HG THR 35 -2.662 -16.500 0.059 272 1HG2 THR 35 1HG2 THR 35 -4.700 -17.569 2.464 273 2HG2 THR 35 2HG2 THR 35 -6.276 -17.198 1.754 274 3HG2 THR 35 3HG2 THR 35 -5.332 -18.592 1.162 275 H ASP 36 H ASP 36 -6.397 -14.431 -0.452 276 HA ASP 36 HA ASP 36 -9.039 -15.294 -1.289 277 1HB ASP 36 2HB ASP 36 -8.808 -15.774 1.250 278 2HB ASP 36 3HB ASP 36 -8.809 -14.021 1.463 279 H ALA 37 H ALA 37 -10.450 -13.363 -1.479 280 HA ALA 37 HA ALA 37 -9.049 -10.783 -1.859 281 1HB ALA 37 1HB ALA 37 -10.208 -12.323 -4.233 282 2HB ALA 37 2HB ALA 37 -9.655 -10.636 -4.254 283 3HB ALA 37 3HB ALA 37 -8.491 -11.946 -3.965 284 H ASN 38 H ASN 38 -10.509 -9.432 -0.837 285 HA ASN 38 HA ASN 38 -13.424 -9.959 -1.283 286 1HB ASN 38 2HB ASN 38 -12.124 -9.236 1.349 287 2HB ASN 38 3HB ASN 38 -13.817 -9.649 1.060 288 1HD2 ASN 38 1HD2 ASN 38 -13.045 -11.997 -0.742 289 2HD2 ASN 38 2HD2 ASN 38 -12.330 -13.194 0.304 290 H VAL 39 H VAL 39 -14.488 -8.080 -1.894 291 HA VAL 39 HA VAL 39 -13.409 -5.500 -0.795 292 HB VAL 39 HB VAL 39 -12.499 -5.369 -2.873 293 1HG1 VAL 39 1HG1 VAL 39 -13.192 -7.259 -3.983 294 2HG1 VAL 39 2HG1 VAL 39 -14.891 -6.771 -3.971 295 3HG1 VAL 39 3HG1 VAL 39 -13.710 -5.913 -5.000 296 1HG2 VAL 39 1HG2 VAL 39 -13.665 -3.638 -4.063 297 2HG2 VAL 39 2HG2 VAL 39 -15.211 -4.074 -3.318 298 3HG2 VAL 39 3HG2 VAL 39 -13.903 -3.391 -2.324 299 H ASN 40 H ASN 40 -14.641 -4.661 0.493 300 HA ASN 40 HA ASN 40 -17.582 -5.156 0.395 301 1HB ASN 40 2HB ASN 40 -15.630 -4.186 2.470 302 2HB ASN 40 3HB ASN 40 -17.257 -3.510 2.514 303 1HD2 ASN 40 1HD2 ASN 40 -19.114 -4.843 2.849 304 2HD2 ASN 40 2HD2 ASN 40 -18.909 -6.427 3.570 305 H LEU 41 H LEU 41 -17.967 -4.023 -1.569 306 HA LEU 41 HA LEU 41 -17.404 -1.320 -2.041 307 1HB LEU 41 2HB LEU 41 -19.190 -1.189 -3.524 308 2HB LEU 41 3HB LEU 41 -18.525 -2.803 -3.706 309 HG LEU 41 HG LEU 41 -20.933 -2.387 -1.962 310 1HD1 LEU 41 1HD1 LEU 41 -22.345 -2.774 -3.972 311 2HD1 LEU 41 2HD1 LEU 41 -21.491 -1.222 -3.995 312 3HD1 LEU 41 3HD1 LEU 41 -20.886 -2.571 -4.975 313 1HD2 LEU 41 1HD2 LEU 41 -19.936 -4.692 -3.676 314 2HD2 LEU 41 2HD2 LEU 41 -19.929 -4.624 -1.903 315 3HD2 LEU 41 3HD2 LEU 41 -21.465 -4.682 -2.776 316 H ALA 42 H ALA 42 -19.607 -2.697 0.260 317 HA ALA 42 HA ALA 42 -21.280 -0.491 0.742 318 1HB ALA 42 1HB ALA 42 -21.690 -2.776 1.635 319 2HB ALA 42 2HB ALA 42 -20.295 -2.591 2.729 320 3HB ALA 42 3HB ALA 42 -21.723 -1.555 2.924 321 H THR 43 H THR 43 -17.935 -1.108 1.763 322 HA THR 43 HA THR 43 -17.880 1.588 3.056 323 HB THR 43 HB THR 43 -15.951 0.579 4.379 324 HG1 THR 43 1HG THR 43 -15.620 -1.508 4.260 325 1HG2 THR 43 1HG2 THR 43 -17.430 -0.475 6.045 326 2HG2 THR 43 2HG2 THR 43 -18.200 0.977 5.376 327 3HG2 THR 43 3HG2 THR 43 -18.720 -0.634 4.839 328 H GLU 44 H GLU 44 -17.406 0.329 0.223 329 HA GLU 44 HA GLU 44 -15.904 0.265 -1.450 330 1HB GLU 44 2HB GLU 44 -15.185 2.975 -0.273 331 2HB GLU 44 3HB GLU 44 -14.847 2.431 -1.925 332 1HG GLU 44 2HG GLU 44 -17.291 2.124 -2.319 333 2HG GLU 44 3HG GLU 44 -17.629 2.739 -0.693 334 H THR 45 H THR 45 -14.909 -1.310 0.775 335 HA THR 45 HA THR 45 -12.051 -0.531 1.003 336 HB THR 45 HB THR 45 -13.874 -2.310 2.697 337 HG1 THR 45 1HG THR 45 -13.044 0.373 2.914 338 1HG2 THR 45 1HG2 THR 45 -11.563 -3.037 2.909 339 2HG2 THR 45 2HG2 THR 45 -11.027 -1.339 2.986 340 3HG2 THR 45 3HG2 THR 45 -11.985 -2.042 4.318 341 H VAL 46 H VAL 46 -10.849 -1.663 -0.517 342 HA VAL 46 HA VAL 46 -11.575 -4.474 -1.073 343 HB VAL 46 HB VAL 46 -11.076 -3.288 -3.065 344 1HG1 VAL 46 1HG1 VAL 46 -8.383 -2.496 -1.846 345 2HG1 VAL 46 2HG1 VAL 46 -8.833 -2.323 -3.546 346 3HG1 VAL 46 3HG1 VAL 46 -9.692 -1.395 -2.318 347 1HG2 VAL 46 1HG2 VAL 46 -10.206 -5.636 -2.729 348 2HG2 VAL 46 2HG2 VAL 46 -9.349 -4.686 -3.964 349 3HG2 VAL 46 3HG2 VAL 46 -8.631 -4.903 -2.356 350 H ASN 47 H ASN 47 -10.602 -6.061 0.042 351 HA ASN 47 HA ASN 47 -8.054 -5.479 1.342 352 1HB ASN 47 2HB ASN 47 -8.716 -6.728 3.316 353 2HB ASN 47 3HB ASN 47 -9.650 -5.245 3.115 354 1HD2 ASN 47 1HD2 ASN 47 -11.885 -5.570 1.992 355 2HD2 ASN 47 2HD2 ASN 47 -12.748 -6.995 2.542 356 H VAL 48 H VAL 48 -6.615 -6.871 0.524 357 HA VAL 48 HA VAL 48 -7.631 -9.453 -0.638 358 HB VAL 48 HB VAL 48 -5.233 -7.942 -1.702 359 1HG1 VAL 48 1HG1 VAL 48 -5.634 -9.373 -3.659 360 2HG1 VAL 48 2HG1 VAL 48 -5.378 -10.370 -2.219 361 3HG1 VAL 48 3HG1 VAL 48 -7.013 -10.132 -2.855 362 1HG2 VAL 48 1HG2 VAL 48 -6.738 -7.247 -3.584 363 2HG2 VAL 48 2HG2 VAL 48 -8.133 -7.782 -2.620 364 3HG2 VAL 48 3HG2 VAL 48 -7.093 -6.451 -2.052 365 H ILE 49 H ILE 49 -6.649 -11.273 -0.002 366 HA ILE 49 HA ILE 49 -4.416 -10.993 1.890 367 HB ILE 49 HB ILE 49 -6.618 -13.072 1.926 368 1HG1 ILE 49 2HG1 ILE 49 -6.412 -11.887 4.450 369 2HG1 ILE 49 3HG1 ILE 49 -6.114 -10.519 3.384 370 1HG2 ILE 49 1HG2 ILE 49 -4.427 -14.105 2.504 371 2HG2 ILE 49 2HG2 ILE 49 -4.153 -12.845 3.713 372 3HG2 ILE 49 3HG2 ILE 49 -5.486 -13.996 3.905 373 1HD1 ILE 49 1HD1 ILE 49 -8.252 -11.067 2.165 374 2HD1 ILE 49 2HD1 ILE 49 -8.525 -12.379 3.338 375 3HD1 ILE 49 3HD1 ILE 49 -8.489 -10.693 3.885 376 H TYR 50 H TYR 50 -2.523 -11.762 1.046 377 HA TYR 50 HA TYR 50 -2.568 -14.069 -0.709 378 1HB TYR 50 2HB TYR 50 -1.829 -12.899 -2.753 379 2HB TYR 50 3HB TYR 50 -3.360 -12.201 -2.218 380 HD1 TYR 50 HD1 TYR 50 0.145 -11.523 -2.915 381 HD2 TYR 50 HD2 TYR 50 -3.417 -10.043 -0.996 382 HE1 TYR 50 HE1 TYR 50 1.069 -9.230 -2.947 383 HE2 TYR 50 HE2 TYR 50 -2.471 -7.791 -0.957 384 HH TYR 50 HH TYR 50 -0.463 -6.364 -1.951 385 H ASP 51 H ASP 51 -0.415 -14.509 -1.651 386 HA ASP 51 HA ASP 51 1.470 -14.275 0.502 387 1HB ASP 51 2HB ASP 51 0.937 -16.358 -0.847 388 2HB ASP 51 3HB ASP 51 1.923 -15.676 -2.151 389 HA PRO 52 HA PRO 52 3.687 -10.953 -1.696 390 1HB PRO 52 2HB PRO 52 5.487 -10.261 0.270 391 2HB PRO 52 3HB PRO 52 3.783 -9.830 0.326 392 1HG PRO 52 2HG PRO 52 5.135 -12.031 1.787 393 2HG PRO 52 3HG PRO 52 3.862 -10.941 2.371 394 1HD PRO 52 2HD PRO 52 3.467 -13.541 1.429 395 2HD PRO 52 3HD PRO 52 2.204 -12.279 1.458 396 H ALA 53 H ALA 53 4.332 -13.828 -2.196 397 HA ALA 53 HA ALA 53 7.088 -13.355 -3.156 398 1HB ALA 53 1HB ALA 53 6.486 -15.707 -1.325 399 2HB ALA 53 2HB ALA 53 8.037 -15.314 -2.083 400 3HB ALA 53 3HB ALA 53 7.378 -14.250 -0.822 401 H GLU 54 H GLU 54 4.296 -14.017 -4.123 402 HA GLU 54 HA GLU 54 5.234 -15.921 -6.207 403 1HB GLU 54 2HB GLU 54 2.488 -15.933 -4.859 404 2HB GLU 54 3HB GLU 54 2.890 -16.754 -6.376 405 1HG GLU 54 2HG GLU 54 4.709 -18.002 -5.099 406 2HG GLU 54 3HG GLU 54 3.991 -17.355 -3.611 407 H THR 55 H THR 55 2.985 -13.241 -5.275 408 HA THR 55 HA THR 55 2.076 -13.018 -8.070 409 HB THR 55 HB THR 55 0.943 -12.921 -5.270 410 HG1 THR 55 1HG THR 55 1.194 -14.812 -6.731 411 1HG2 THR 55 1HG2 THR 55 -0.097 -10.976 -6.359 412 2HG2 THR 55 2HG2 THR 55 -0.536 -12.035 -7.721 413 3HG2 THR 55 3HG2 THR 55 -1.151 -12.362 -6.063 414 H GLY 56 H GLY 56 1.750 -10.718 -5.309 415 1HA GLY 56 2HA GLY 56 3.524 -9.042 -5.018 416 2HA GLY 56 3HA GLY 56 3.558 -8.803 -6.764 417 H THR 57 H THR 57 2.644 -7.275 -4.180 418 HA THR 57 HA THR 57 -0.048 -6.536 -4.371 419 HB THR 57 HB THR 57 1.842 -5.937 -2.670 420 HG1 THR 57 1HG THR 57 0.073 -3.834 -3.039 421 1HG2 THR 57 1HG2 THR 57 3.265 -4.609 -4.153 422 2HG2 THR 57 2HG2 THR 57 1.923 -3.466 -4.388 423 3HG2 THR 57 3HG2 THR 57 2.634 -3.671 -2.784 424 H ALA 58 H ALA 58 2.758 -5.377 -6.199 425 HA ALA 58 HA ALA 58 1.492 -3.332 -7.650 426 1HB ALA 58 1HB ALA 58 3.386 -3.621 -9.238 427 2HB ALA 58 2HB ALA 58 3.925 -3.574 -7.548 428 3HB ALA 58 3HB ALA 58 3.839 -5.129 -8.413 429 H ALA 59 H ALA 59 1.617 -6.896 -8.257 430 HA ALA 59 HA ALA 59 0.506 -6.612 -10.942 431 1HB ALA 59 1HB ALA 59 0.694 -9.033 -9.128 432 2HB ALA 59 2HB ALA 59 0.260 -9.010 -10.853 433 3HB ALA 59 3HB ALA 59 1.896 -8.528 -10.345 434 H ILE 60 H ILE 60 -0.683 -7.422 -7.674 435 HA ILE 60 HA ILE 60 -3.386 -7.955 -8.366 436 HB ILE 60 HB ILE 60 -2.003 -7.052 -5.897 437 1HG1 ILE 60 2HG1 ILE 60 -3.136 -9.672 -6.933 438 2HG1 ILE 60 3HG1 ILE 60 -1.465 -9.223 -6.649 439 1HG2 ILE 60 1HG2 ILE 60 -3.875 -7.442 -4.475 440 2HG2 ILE 60 2HG2 ILE 60 -4.087 -6.048 -5.522 441 3HG2 ILE 60 3HG2 ILE 60 -4.959 -7.541 -5.862 442 1HD1 ILE 60 1HD1 ILE 60 -2.135 -10.627 -4.852 443 2HD1 ILE 60 2HD1 ILE 60 -2.016 -8.958 -4.232 444 3HD1 ILE 60 3HD1 ILE 60 -3.604 -9.685 -4.574 445 H GLN 61 H GLN 61 -1.842 -4.857 -7.317 446 HA GLN 61 HA GLN 61 -4.222 -3.359 -7.799 447 1HB GLN 61 2HB GLN 61 -3.118 -1.508 -7.130 448 2HB GLN 61 3HB GLN 61 -2.168 -2.776 -6.344 449 1HG GLN 61 2HG GLN 61 -0.513 -2.595 -8.206 450 2HG GLN 61 3HG GLN 61 -1.407 -1.211 -8.842 451 1HE2 GLN 61 1HE2 GLN 61 -1.481 0.736 -7.504 452 2HE2 GLN 61 2HE2 GLN 61 -0.272 0.962 -6.252 453 H GLU 62 H GLU 62 -1.433 -4.212 -9.949 454 HA GLU 62 HA GLU 62 -2.148 -2.569 -12.135 455 1HB GLU 62 2HB GLU 62 -0.074 -3.964 -12.064 456 2HB GLU 62 3HB GLU 62 -1.065 -5.424 -12.206 457 1HG GLU 62 2HG GLU 62 -1.918 -3.916 -14.388 458 2HG GLU 62 3HG GLU 62 -0.233 -3.476 -14.246 459 H LYS 63 H LYS 63 -3.383 -5.741 -11.032 460 HA LYS 63 HA LYS 63 -5.092 -6.170 -13.243 461 1HB LYS 63 2HB LYS 63 -4.298 -7.664 -11.021 462 2HB LYS 63 3HB LYS 63 -5.956 -7.252 -10.607 463 1HG LYS 63 2HG LYS 63 -6.230 -9.222 -11.744 464 2HG LYS 63 3HG LYS 63 -6.479 -8.067 -13.057 465 1HD LYS 63 2HD LYS 63 -3.942 -9.654 -12.415 466 2HD LYS 63 3HD LYS 63 -5.054 -9.960 -13.762 467 1HE LYS 63 2HE LYS 63 -4.452 -7.724 -14.748 468 2HE LYS 63 3HE LYS 63 -3.342 -7.451 -13.378 469 1HZ LYS 63 1HZ LYS 63 -2.065 -8.027 -15.036 470 2HZ LYS 63 2HZ LYS 63 -2.092 -9.354 -14.097 471 3HZ LYS 63 3HZ LYS 63 -2.960 -9.378 -15.508 472 H ILE 64 H ILE 64 -5.772 -4.619 -10.065 473 HA ILE 64 HA ILE 64 -8.482 -4.008 -10.587 474 HB ILE 64 HB ILE 64 -6.392 -2.377 -9.081 475 1HG1 ILE 64 2HG1 ILE 64 -8.481 -4.387 -8.106 476 2HG1 ILE 64 3HG1 ILE 64 -6.759 -4.735 -8.255 477 1HG2 ILE 64 1HG2 ILE 64 -9.427 -2.215 -9.014 478 2HG2 ILE 64 2HG2 ILE 64 -8.308 -1.324 -7.955 479 3HG2 ILE 64 3HG2 ILE 64 -8.323 -0.983 -9.673 480 1HD1 ILE 64 1HD1 ILE 64 -8.044 -2.801 -6.311 481 2HD1 ILE 64 2HD1 ILE 64 -7.120 -4.273 -5.978 482 3HD1 ILE 64 3HD1 ILE 64 -6.293 -2.851 -6.643 483 H GLU 65 H GLU 65 -5.500 -2.195 -11.509 484 HA GLU 65 HA GLU 65 -6.944 -0.087 -12.800 485 1HB GLU 65 2HB GLU 65 -4.088 -1.051 -13.242 486 2HB GLU 65 3HB GLU 65 -4.777 0.458 -13.868 487 1HG GLU 65 2HG GLU 65 -5.267 1.220 -11.570 488 2HG GLU 65 3HG GLU 65 -4.585 -0.265 -10.904 489 H LYS 66 H LYS 66 -5.484 -3.023 -14.181 490 HA LYS 66 HA LYS 66 -6.294 -2.569 -16.882 491 1HB LYS 66 2HB LYS 66 -5.452 -5.026 -15.348 492 2HB LYS 66 3HB LYS 66 -5.967 -5.086 -17.044 493 1HG LYS 66 2HG LYS 66 -4.297 -3.386 -17.660 494 2HG LYS 66 3HG LYS 66 -3.724 -3.315 -15.975 495 1HD LYS 66 2HD LYS 66 -2.918 -5.565 -16.069 496 2HD LYS 66 3HD LYS 66 -3.864 -5.925 -17.508 497 1HE LYS 66 2HE LYS 66 -1.521 -5.769 -18.139 498 2HE LYS 66 3HE LYS 66 -2.473 -4.493 -18.914 499 1HZ LYS 66 1HZ LYS 66 -0.586 -4.277 -16.673 500 2HZ LYS 66 2HZ LYS 66 -0.475 -3.570 -18.131 501 3HZ LYS 66 3HZ LYS 66 -1.610 -3.035 -17.057 502 H LEU 67 H LEU 67 -8.080 -3.928 -14.105 503 HA LEU 67 HA LEU 67 -10.302 -4.867 -15.705 504 1HB LEU 67 2HB LEU 67 -9.716 -4.509 -12.809 505 2HB LEU 67 3HB LEU 67 -11.391 -4.469 -13.304 506 HG LEU 67 HG LEU 67 -10.100 -6.709 -14.658 507 1HD1 LEU 67 1HD1 LEU 67 -8.573 -6.846 -12.897 508 2HD1 LEU 67 2HD1 LEU 67 -9.815 -6.580 -11.650 509 3HD1 LEU 67 3HD1 LEU 67 -9.794 -8.087 -12.603 510 1HD2 LEU 67 1HD2 LEU 67 -12.307 -6.553 -12.570 511 2HD2 LEU 67 2HD2 LEU 67 -12.532 -6.361 -14.327 512 3HD2 LEU 67 3HD2 LEU 67 -11.976 -7.914 -13.664 513 H GLY 68 H GLY 68 -9.180 -1.691 -15.159 514 1HA GLY 68 2HA GLY 68 -10.075 0.155 -16.197 515 2HA GLY 68 3HA GLY 68 -11.642 -0.646 -16.384 516 H TYR 69 H TYR 69 -9.608 -0.200 -13.475 517 HA TYR 69 HA TYR 69 -11.607 1.632 -12.250 518 1HB TYR 69 2HB TYR 69 -10.380 -0.810 -10.927 519 2HB TYR 69 3HB TYR 69 -11.485 0.326 -10.169 520 HD1 TYR 69 HD1 TYR 69 -13.741 0.696 -11.785 521 HD2 TYR 69 HD2 TYR 69 -11.341 -2.861 -11.511 522 HE1 TYR 69 HE1 TYR 69 -15.698 -0.660 -12.444 523 HE2 TYR 69 HE2 TYR 69 -13.333 -4.234 -12.115 524 HH TYR 69 HH TYR 69 -16.510 -2.796 -12.804 525 H HIS 70 H HIS 70 -10.511 2.320 -9.966 526 HA HIS 70 HA HIS 70 -7.629 2.781 -10.319 527 1HB HIS 70 2HB HIS 70 -9.536 4.741 -11.151 528 2HB HIS 70 3HB HIS 70 -8.973 5.280 -9.577 529 HD1 HIS 70 1HD HIS 70 -6.919 6.839 -9.815 530 HD2 HIS 70 2HD HIS 70 -7.321 4.024 -12.922 531 HE1 HIS 70 1HE HIS 70 -5.121 7.384 -11.543 532 H VAL 71 H VAL 71 -6.634 3.458 -8.330 533 HA VAL 71 HA VAL 71 -8.197 2.764 -5.895 534 HB VAL 71 HB VAL 71 -5.992 2.251 -4.948 535 1HG1 VAL 71 1HG1 VAL 71 -6.655 0.644 -7.445 536 2HG1 VAL 71 2HG1 VAL 71 -5.702 0.087 -6.053 537 3HG1 VAL 71 3HG1 VAL 71 -7.420 0.469 -5.849 538 1HG2 VAL 71 1HG2 VAL 71 -4.558 3.611 -6.505 539 2HG2 VAL 71 2HG2 VAL 71 -4.021 1.938 -6.320 540 3HG2 VAL 71 3HG2 VAL 71 -4.883 2.426 -7.786 541 H VAL 72 H VAL 72 -8.060 4.078 -4.069 542 HA VAL 72 HA VAL 72 -7.602 6.911 -4.775 543 HB VAL 72 HB VAL 72 -8.647 5.602 -2.243 544 1HG1 VAL 72 1HG1 VAL 72 -8.850 8.483 -3.269 545 2HG1 VAL 72 2HG1 VAL 72 -9.739 7.842 -1.873 546 3HG1 VAL 72 3HG1 VAL 72 -7.986 7.968 -1.809 547 1HG2 VAL 72 1HG2 VAL 72 -10.899 6.216 -3.099 548 2HG2 VAL 72 2HG2 VAL 72 -10.161 6.738 -4.626 549 3HG2 VAL 72 3HG2 VAL 72 -10.114 5.031 -4.139 550 H THR 73 H THR 73 -5.213 5.887 -5.050 551 HA THR 73 HA THR 73 -3.773 6.006 -2.424 552 HB THR 73 HB THR 73 -2.898 4.410 -4.844 553 HG1 THR 73 1HG THR 73 -4.902 3.926 -2.961 554 1HG2 THR 73 1HG2 THR 73 -1.324 4.857 -2.883 555 2HG2 THR 73 2HG2 THR 73 -2.511 3.970 -1.876 556 3HG2 THR 73 3HG2 THR 73 -1.661 3.149 -3.197 557 H GLU 74 H GLU 74 -2.046 7.397 -2.273 558 HA GLU 74 HA GLU 74 -1.281 8.842 -4.763 559 1HB GLU 74 2HB GLU 74 -2.257 9.945 -2.108 560 2HB GLU 74 3HB GLU 74 -1.172 10.895 -3.129 561 1HG GLU 74 2HG GLU 74 -3.801 9.753 -4.158 562 2HG GLU 74 3HG GLU 74 -3.609 11.384 -3.500 563 H LYS 75 H LYS 75 0.654 9.536 -4.939 564 HA LYS 75 HA LYS 75 2.824 8.349 -3.317 565 1HB LYS 75 2HB LYS 75 4.298 9.062 -5.060 566 2HB LYS 75 3HB LYS 75 2.997 8.044 -5.674 567 1HG LYS 75 2HG LYS 75 1.813 10.001 -6.556 568 2HG LYS 75 3HG LYS 75 3.143 11.033 -6.009 569 1HD LYS 75 2HD LYS 75 4.687 9.375 -7.316 570 2HD LYS 75 3HD LYS 75 3.193 8.845 -8.109 571 1HE LYS 75 2HE LYS 75 2.784 11.238 -8.816 572 2HE LYS 75 3HE LYS 75 4.287 11.713 -8.004 573 1HZ LYS 75 1HZ LYS 75 4.086 9.882 -10.297 574 2HZ LYS 75 2HZ LYS 75 4.656 11.427 -10.323 575 3HZ LYS 75 3HZ LYS 75 5.480 10.260 -9.508 576 H ALA 76 H ALA 76 2.511 9.511 -1.391 577 HA ALA 76 HA ALA 76 2.864 12.487 -1.542 578 1HB ALA 76 1HB ALA 76 2.472 10.681 0.861 579 2HB ALA 76 2HB ALA 76 2.555 12.455 0.879 580 3HB ALA 76 3HB ALA 76 1.220 11.637 0.040 581 H GLU 77 H GLU 77 4.852 13.526 -1.127 582 HA GLU 77 HA GLU 77 7.185 11.792 -0.795 583 1HB GLU 77 2HB GLU 77 6.528 14.201 -2.212 584 2HB GLU 77 3HB GLU 77 7.691 14.685 -0.988 585 1HG GLU 77 2HG GLU 77 8.173 12.274 -2.759 586 2HG GLU 77 3HG GLU 77 8.502 13.927 -3.282 587 H PHE 78 H PHE 78 8.179 11.484 1.095 588 HA PHE 78 HA PHE 78 7.548 13.276 3.406 589 1HB PHE 78 2HB PHE 78 7.463 10.293 3.114 590 2HB PHE 78 3HB PHE 78 8.160 10.958 4.583 591 HD1 PHE 78 1HD PHE 78 6.696 10.939 6.362 592 HD2 PHE 78 2HD PHE 78 5.122 11.804 2.448 593 HE1 PHE 78 1HE PHE 78 4.450 11.227 7.334 594 HE2 PHE 78 2HE PHE 78 2.915 12.270 3.447 595 HZ PHE 78 HZ PHE 78 2.574 11.992 5.885 596 H ASP 79 H ASP 79 9.201 13.655 4.796 597 HA ASP 79 HA ASP 79 11.952 13.374 3.681 598 1HB ASP 79 2HB ASP 79 11.018 15.697 4.051 599 2HB ASP 79 3HB ASP 79 10.622 15.281 5.679 600 H ILE 80 H ILE 80 13.581 12.357 5.085 601 HA ILE 80 HA ILE 80 12.490 11.256 7.667 602 HB ILE 80 HB ILE 80 14.680 10.098 5.980 603 1HG1 ILE 80 2HG1 ILE 80 11.730 9.485 5.584 604 2HG1 ILE 80 3HG1 ILE 80 12.819 10.291 4.430 605 1HG2 ILE 80 1HG2 ILE 80 14.056 8.006 7.162 606 2HG2 ILE 80 2HG2 ILE 80 14.413 9.300 8.307 607 3HG2 ILE 80 3HG2 ILE 80 12.727 8.864 7.969 608 1HD1 ILE 80 1HD1 ILE 80 12.833 7.435 5.203 609 2HD1 ILE 80 2HD1 ILE 80 12.970 8.258 3.619 610 3HD1 ILE 80 3HD1 ILE 80 14.343 8.268 4.706 611 H GLU 81 H GLU 81 13.733 11.623 9.517 612 HA GLU 81 HA GLU 81 16.437 12.910 9.064 613 1HB GLU 81 2HB GLU 81 14.482 14.473 9.336 614 2HB GLU 81 3HB GLU 81 14.322 13.845 10.982 615 1HG GLU 81 2HG GLU 81 16.667 14.660 11.419 616 2HG GLU 81 3HG GLU 81 16.735 15.276 9.770 617 H GLY 82 H GLY 82 16.423 10.494 9.414 618 1HA GLY 82 2HA GLY 82 17.194 9.805 12.231 619 2HA GLY 82 3HA GLY 82 15.989 8.838 11.384 620 H MET 83 H MET 83 17.356 8.741 8.752 621 HA MET 83 HA MET 83 18.938 6.504 8.990 622 1HB MET 83 2HB MET 83 18.974 8.650 6.863 623 2HB MET 83 3HB MET 83 19.671 7.037 6.674 624 1HG MET 83 2HG MET 83 17.563 5.964 6.765 625 2HG MET 83 3HG MET 83 16.725 7.414 7.310 626 1HE MET 83 1HE MET 83 18.104 9.632 4.911 627 2HE MET 83 2HE MET 83 16.390 9.628 4.398 628 3HE MET 83 3HE MET 83 16.810 9.558 6.120 629 H THR 84 H THR 84 20.427 6.761 10.677 630 HA THR 84 HA THR 84 22.538 8.505 10.807 631 HB THR 84 HB THR 84 22.051 6.741 12.455 632 HG1 THR 84 1HG THR 84 24.627 7.147 11.430 633 1HG2 THR 84 1HG2 THR 84 23.509 4.830 10.566 634 2HG2 THR 84 2HG2 THR 84 22.900 4.479 12.191 635 3HG2 THR 84 3HG2 THR 84 21.758 4.807 10.877 636 H CYS 85 H CYS 85 22.097 6.106 8.296 637 HA CYS 85 HA CYS 85 23.787 7.474 6.608 638 1HB CYS 85 2HB CYS 85 25.334 5.466 8.133 639 2HB CYS 85 3HB CYS 85 25.408 5.171 6.388 640 HG CYS 85 HG CYS 85 25.947 8.029 7.901 641 H ALA 86 H ALA 86 23.578 3.896 6.780 642 HA ALA 86 HA ALA 86 21.508 3.864 4.660 643 1HB ALA 86 1HB ALA 86 22.956 2.577 3.148 644 2HB ALA 86 2HB ALA 86 23.594 4.207 3.426 645 3HB ALA 86 3HB ALA 86 24.333 2.815 4.249 646 H ALA 87 H ALA 87 20.600 3.048 6.756 647 HA ALA 87 HA ALA 87 20.526 0.114 6.617 648 1HB ALA 87 1HB ALA 87 21.410 1.524 9.176 649 2HB ALA 87 2HB ALA 87 20.980 -0.194 9.027 650 3HB ALA 87 3HB ALA 87 22.398 0.440 8.172 651 H CYS 88 H CYS 88 19.522 3.013 8.589 652 HA CYS 88 HA CYS 88 17.158 1.922 9.612 653 1HB CYS 88 2HB CYS 88 17.659 4.801 8.736 654 2HB CYS 88 3HB CYS 88 16.489 4.272 9.935 655 HG CYS 88 HG CYS 88 18.317 3.167 11.518 656 H ALA 89 H ALA 89 17.771 3.714 6.583 657 HA ALA 89 HA ALA 89 15.075 3.767 5.704 658 1HB ALA 89 1HB ALA 89 16.730 3.762 3.405 659 2HB ALA 89 2HB ALA 89 15.976 5.118 4.240 660 3HB ALA 89 3HB ALA 89 17.632 4.621 4.671 661 H ASN 90 H ASN 90 17.648 1.300 5.291 662 HA ASN 90 HA ASN 90 16.236 -0.184 3.274 663 1HB ASN 90 2HB ASN 90 18.430 -0.883 5.242 664 2HB ASN 90 3HB ASN 90 17.504 -2.185 4.500 665 1HD2 ASN 90 1HD2 ASN 90 20.109 0.043 3.936 666 2HD2 ASN 90 2HD2 ASN 90 20.298 -0.364 2.245 667 H ARG 91 H ARG 91 16.206 -0.283 6.838 668 HA ARG 91 HA ARG 91 14.210 -2.356 6.994 669 1HB ARG 91 2HB ARG 91 15.678 -0.648 8.871 670 2HB ARG 91 3HB ARG 91 13.978 -0.707 9.311 671 1HG ARG 91 2HG ARG 91 14.086 -3.242 9.093 672 2HG ARG 91 3HG ARG 91 15.836 -3.076 8.830 673 1HD ARG 91 2HD ARG 91 16.021 -1.969 11.067 674 2HD ARG 91 3HD ARG 91 14.265 -2.184 11.282 675 HE ARG 91 HE ARG 91 15.652 -4.662 10.655 676 1HH1 ARG 91 2HH2 ARG 91 14.964 -2.455 13.316 677 2HH1 ARG 91 1HH2 ARG 91 15.044 -3.660 14.560 678 1HH2 ARG 91 2HH1 ARG 91 15.817 -6.296 12.282 679 2HH2 ARG 91 1HH1 ARG 91 15.569 -5.901 13.949 680 H ILE 92 H ILE 92 13.974 1.207 7.165 681 HA ILE 92 HA ILE 92 11.211 1.345 7.533 682 HB ILE 92 HB ILE 92 13.307 3.175 7.275 683 1HG1 ILE 92 2HG1 ILE 92 10.350 3.713 7.636 684 2HG1 ILE 92 3HG1 ILE 92 11.492 3.183 8.887 685 1HG2 ILE 92 1HG2 ILE 92 11.224 3.984 5.219 686 2HG2 ILE 92 2HG2 ILE 92 12.640 4.909 5.745 687 3HG2 ILE 92 3HG2 ILE 92 12.865 3.444 4.818 688 1HD1 ILE 92 1HD1 ILE 92 11.496 5.849 7.429 689 2HD1 ILE 92 2HD1 ILE 92 11.282 5.526 9.149 690 3HD1 ILE 92 3HD1 ILE 92 12.867 5.267 8.410 691 H GLU 93 H GLU 93 13.050 1.030 4.520 692 HA GLU 93 HA GLU 93 11.003 1.593 2.672 693 1HB GLU 93 2HB GLU 93 13.470 1.475 2.162 694 2HB GLU 93 3HB GLU 93 13.411 -0.279 2.401 695 1HG GLU 93 2HG GLU 93 11.535 -0.225 0.581 696 2HG GLU 93 3HG GLU 93 12.113 1.418 0.268 697 H LYS 94 H LYS 94 12.285 -1.477 3.987 698 HA LYS 94 HA LYS 94 10.325 -3.175 2.745 699 1HB LYS 94 2HB LYS 94 12.425 -3.509 4.893 700 2HB LYS 94 3HB LYS 94 11.185 -4.744 4.690 701 1HG LYS 94 2HG LYS 94 13.162 -5.348 3.464 702 2HG LYS 94 3HG LYS 94 11.778 -5.132 2.383 703 1HD LYS 94 2HD LYS 94 12.604 -2.953 1.645 704 2HD LYS 94 3HD LYS 94 13.941 -3.010 2.781 705 1HE LYS 94 2HE LYS 94 13.533 -5.011 0.507 706 2HE LYS 94 3HE LYS 94 14.525 -3.558 0.390 707 1HZ LYS 94 1HZ LYS 94 15.053 -5.747 2.257 708 2HZ LYS 94 2HZ LYS 94 15.880 -5.388 0.879 709 3HZ LYS 94 3HZ LYS 94 15.905 -4.335 2.136 710 H ARG 95 H ARG 95 10.334 -1.395 5.831 711 HA ARG 95 HA ARG 95 7.955 -2.774 6.844 712 1HB ARG 95 2HB ARG 95 9.333 -0.161 7.544 713 2HB ARG 95 3HB ARG 95 7.863 -0.696 8.354 714 1HG ARG 95 2HG ARG 95 10.339 -2.473 8.194 715 2HG ARG 95 3HG ARG 95 10.135 -1.211 9.410 716 1HD ARG 95 2HD ARG 95 7.919 -2.269 10.050 717 2HD ARG 95 3HD ARG 95 8.329 -3.621 8.964 718 HE ARG 95 HE ARG 95 10.488 -3.149 10.763 719 1HH1 ARG 95 2HH2 ARG 95 7.183 -4.364 10.776 720 2HH1 ARG 95 1HH2 ARG 95 7.377 -5.390 12.163 721 1HH2 ARG 95 2HH1 ARG 95 10.785 -4.459 12.653 722 2HH2 ARG 95 1HH1 ARG 95 9.491 -5.442 13.252 723 H LEU 96 H LEU 96 8.358 0.590 5.779 724 HA LEU 96 HA LEU 96 5.694 1.424 5.639 725 1HB LEU 96 2HB LEU 96 8.095 2.287 4.080 726 2HB LEU 96 3HB LEU 96 6.506 3.054 3.991 727 HG LEU 96 HG LEU 96 8.153 2.837 6.572 728 1HD1 LEU 96 1HD1 LEU 96 7.412 5.142 4.745 729 2HD1 LEU 96 2HD1 LEU 96 8.428 5.247 6.210 730 3HD1 LEU 96 3HD1 LEU 96 9.005 4.353 4.783 731 1HD2 LEU 96 1HD2 LEU 96 6.420 4.599 7.297 732 2HD2 LEU 96 2HD2 LEU 96 5.427 4.024 5.939 733 3HD2 LEU 96 3HD2 LEU 96 5.866 2.930 7.266 734 H ASN 97 H ASN 97 7.710 -0.228 3.270 735 HA ASN 97 HA ASN 97 6.603 -0.406 0.931 736 1HB ASN 97 2HB ASN 97 8.154 -2.142 2.480 737 2HB ASN 97 3HB ASN 97 6.854 -3.146 2.177 738 1HD2 ASN 97 1HD2 ASN 97 9.420 -1.205 0.840 739 2HD2 ASN 97 2HD2 ASN 97 9.492 -1.922 -0.771 740 H LYS 98 H LYS 98 5.118 -2.068 3.719 741 HA LYS 98 HA LYS 98 2.467 -1.762 2.722 742 1HB LYS 98 2HB LYS 98 1.913 -4.225 2.559 743 2HB LYS 98 3HB LYS 98 2.563 -3.404 1.174 744 1HG LYS 98 2HG LYS 98 4.537 -4.731 3.016 745 2HG LYS 98 3HG LYS 98 3.457 -5.807 2.213 746 1HD LYS 98 2HD LYS 98 5.427 -3.915 0.981 747 2HD LYS 98 3HD LYS 98 5.513 -5.663 0.930 748 1HE LYS 98 2HE LYS 98 3.650 -5.578 -0.769 749 2HE LYS 98 3HE LYS 98 3.574 -3.816 -0.577 750 1HZ LYS 98 1HZ LYS 98 5.923 -3.730 -1.203 751 2HZ LYS 98 2HZ LYS 98 5.828 -5.277 -1.708 752 3HZ LYS 98 3HZ LYS 98 4.877 -4.114 -2.404 753 H ILE 99 H ILE 99 2.865 -0.804 4.883 754 HA ILE 99 HA ILE 99 2.681 -2.576 7.168 755 HB ILE 99 HB ILE 99 1.921 0.349 6.819 756 1HG1 ILE 99 2HG1 ILE 99 4.326 -1.150 7.976 757 2HG1 ILE 99 3HG1 ILE 99 4.292 -0.132 6.531 758 1HG2 ILE 99 1HG2 ILE 99 1.756 0.482 9.247 759 2HG2 ILE 99 2HG2 ILE 99 0.618 -0.724 8.696 760 3HG2 ILE 99 3HG2 ILE 99 2.157 -1.244 9.412 761 1HD1 ILE 99 1HD1 ILE 99 3.793 1.847 7.967 762 2HD1 ILE 99 2HD1 ILE 99 3.938 0.793 9.398 763 3HD1 ILE 99 3HD1 ILE 99 5.340 1.045 8.360 764 H GLU 100 H GLU 100 0.144 -0.668 5.452 765 HA GLU 100 HA GLU 100 -1.827 -2.802 6.101 766 1HB GLU 100 2HB GLU 100 -1.624 -0.386 7.598 767 2HB GLU 100 3HB GLU 100 -2.977 -0.125 6.500 768 1HG GLU 100 2HG GLU 100 -3.930 -2.335 7.243 769 2HG GLU 100 3HG GLU 100 -2.616 -2.439 8.433 770 H GLY 101 H GLY 101 -1.821 0.481 4.704 771 1HA GLY 101 2HA GLY 101 -3.000 -0.580 2.160 772 2HA GLY 101 3HA GLY 101 -3.627 0.853 3.015 773 H VAL 102 H VAL 102 -0.370 -0.368 2.309 774 HA VAL 102 HA VAL 102 0.375 2.177 0.938 775 HB VAL 102 HB VAL 102 2.251 0.343 2.440 776 1HG1 VAL 102 1HG1 VAL 102 2.458 3.060 1.135 777 2HG1 VAL 102 2HG1 VAL 102 3.534 2.625 2.452 778 3HG1 VAL 102 3HG1 VAL 102 3.500 1.643 0.975 779 1HG2 VAL 102 1HG2 VAL 102 2.199 2.004 4.283 780 2HG2 VAL 102 2HG2 VAL 102 0.799 2.782 3.512 781 3HG2 VAL 102 3HG2 VAL 102 0.682 1.120 4.110 782 H ALA 103 H ALA 103 0.780 1.937 -1.147 783 HA ALA 103 HA ALA 103 0.769 -0.712 -2.354 784 1HB ALA 103 1HB ALA 103 -0.300 1.114 -3.565 785 2HB ALA 103 2HB ALA 103 1.204 2.056 -3.542 786 3HB ALA 103 3HB ALA 103 1.120 0.549 -4.467 787 H ASN 104 H ASN 104 3.038 2.013 -1.848 788 HA ASN 104 HA ASN 104 5.357 0.215 -1.900 789 1HB ASN 104 2HB ASN 104 5.192 2.487 -3.933 790 2HB ASN 104 3HB ASN 104 6.558 1.410 -3.655 791 1HD2 ASN 104 1HD2 ASN 104 3.880 1.945 -5.624 792 2HD2 ASN 104 2HD2 ASN 104 3.794 0.317 -6.305 793 H ALA 105 H ALA 105 7.348 1.463 -1.513 794 HA ALA 105 HA ALA 105 7.031 4.111 -0.334 795 1HB ALA 105 1HB ALA 105 6.265 2.688 1.499 796 2HB ALA 105 2HB ALA 105 7.813 1.811 1.463 797 3HB ALA 105 3HB ALA 105 7.773 3.535 1.896 798 HA PRO 106 HA PRO 106 11.278 2.879 -1.933 799 1HB PRO 106 2HB PRO 106 11.562 4.442 -4.146 800 2HB PRO 106 3HB PRO 106 10.668 2.894 -4.167 801 1HG PRO 106 2HG PRO 106 9.533 5.676 -3.846 802 2HG PRO 106 3HG PRO 106 8.994 4.420 -4.996 803 1HD PRO 106 2HD PRO 106 7.712 4.775 -2.623 804 2HD PRO 106 3HD PRO 106 8.000 3.142 -3.275 805 H VAL 107 H VAL 107 13.198 3.985 -1.620 806 HA VAL 107 HA VAL 107 12.985 6.565 -0.176 807 HB VAL 107 HB VAL 107 13.625 4.827 1.254 808 1HG1 VAL 107 1HG1 VAL 107 15.627 3.396 0.928 809 2HG1 VAL 107 2HG1 VAL 107 14.400 3.080 -0.293 810 3HG1 VAL 107 3HG1 VAL 107 15.831 4.049 -0.707 811 1HG2 VAL 107 1HG2 VAL 107 14.882 6.928 1.557 812 2HG2 VAL 107 2HG2 VAL 107 15.820 5.516 2.043 813 3HG2 VAL 107 3HG2 VAL 107 16.179 6.291 0.509 814 H ASN 108 H ASN 108 14.206 8.293 -0.736 815 HA ASN 108 HA ASN 108 15.589 8.253 -3.347 816 1HB ASN 108 2HB ASN 108 14.691 10.321 -1.348 817 2HB ASN 108 3HB ASN 108 15.988 10.729 -2.465 818 1HD2 ASN 108 1HD2 ASN 108 15.333 11.736 -4.304 819 2HD2 ASN 108 2HD2 ASN 108 13.798 11.427 -5.099 820 H PHE 109 H PHE 109 16.375 8.403 0.085 821 HA PHE 109 HA PHE 109 18.215 8.394 1.273 822 1HB PHE 109 2HB PHE 109 19.172 7.013 -1.221 823 2HB PHE 109 3HB PHE 109 20.387 7.703 -0.176 824 HD1 PHE 109 1HD PHE 109 18.444 4.787 -0.683 825 HD2 PHE 109 2HD PHE 109 20.129 7.294 2.405 826 HE1 PHE 109 1HE PHE 109 18.451 2.875 0.873 827 HE2 PHE 109 2HE PHE 109 20.052 5.440 3.969 828 HZ PHE 109 HZ PHE 109 19.339 3.143 3.189 829 H ALA 110 H ALA 110 19.266 9.716 -1.901 830 HA ALA 110 HA ALA 110 21.420 11.099 -0.833 831 1HB ALA 110 1HB ALA 110 21.431 12.387 -2.950 832 2HB ALA 110 2HB ALA 110 21.108 10.665 -3.240 833 3HB ALA 110 3HB ALA 110 19.776 11.842 -3.297 834 H LEU 111 H LEU 111 18.071 12.204 -1.100 835 HA LEU 111 HA LEU 111 18.768 14.827 0.166 836 1HB LEU 111 2HB LEU 111 16.001 14.370 -0.701 837 2HB LEU 111 3HB LEU 111 17.007 15.780 -0.872 838 HG LEU 111 HG LEU 111 17.091 13.274 -2.648 839 1HD1 LEU 111 1HD1 LEU 111 16.021 14.714 -4.334 840 2HD1 LEU 111 2HD1 LEU 111 15.005 14.519 -2.895 841 3HD1 LEU 111 3HD1 LEU 111 15.906 16.030 -3.146 842 1HD2 LEU 111 1HD2 LEU 111 18.484 14.690 -4.163 843 2HD2 LEU 111 2HD2 LEU 111 18.419 16.028 -2.998 844 3HD2 LEU 111 3HD2 LEU 111 19.300 14.547 -2.603 845 H GLU 112 H GLU 112 18.276 11.904 1.313 846 HA GLU 112 HA GLU 112 17.163 10.818 2.822 847 1HB GLU 112 2HB GLU 112 17.204 13.519 4.243 848 2HB GLU 112 3HB GLU 112 17.044 11.945 5.012 849 1HG GLU 112 2HG GLU 112 19.291 11.323 3.844 850 2HG GLU 112 3HG GLU 112 19.453 13.048 3.505 851 H THR 113 H THR 113 15.338 10.792 1.097 852 HA THR 113 HA THR 113 12.828 11.618 2.442 853 HB THR 113 HB THR 113 11.990 12.731 0.707 854 HG1 THR 113 1HG THR 113 11.532 11.665 -0.943 855 1HG2 THR 113 1HG2 THR 113 14.751 12.569 -0.542 856 2HG2 THR 113 2HG2 THR 113 13.510 13.793 -0.857 857 3HG2 THR 113 3HG2 THR 113 14.300 13.726 0.737 858 H VAL 114 H VAL 114 11.021 10.384 1.941 859 HA VAL 114 HA VAL 114 11.394 7.857 0.485 860 HB VAL 114 HB VAL 114 11.438 7.083 2.767 861 1HG1 VAL 114 1HG1 VAL 114 8.733 8.367 3.293 862 2HG1 VAL 114 2HG1 VAL 114 9.788 7.529 4.436 863 3HG1 VAL 114 3HG1 VAL 114 10.250 9.122 3.814 864 1HG2 VAL 114 1HG2 VAL 114 10.162 5.745 1.154 865 2HG2 VAL 114 2HG2 VAL 114 9.586 5.575 2.816 866 3HG2 VAL 114 3HG2 VAL 114 8.667 6.562 1.671 867 H THR 115 H THR 115 9.884 7.674 -1.068 868 HA THR 115 HA THR 115 7.566 9.563 -1.064 869 HB THR 115 HB THR 115 8.433 7.404 -3.016 870 HG1 THR 115 1HG THR 115 9.085 9.139 -4.258 871 1HG2 THR 115 1HG2 THR 115 6.726 8.434 -4.520 872 2HG2 THR 115 2HG2 THR 115 5.987 7.705 -3.091 873 3HG2 THR 115 3HG2 THR 115 6.191 9.469 -3.177 874 H VAL 116 H VAL 116 5.700 8.840 -0.109 875 HA VAL 116 HA VAL 116 5.430 5.915 0.494 876 HB VAL 116 HB VAL 116 5.605 7.269 2.492 877 1HG1 VAL 116 1HG1 VAL 116 2.996 8.624 1.734 878 2HG1 VAL 116 2HG1 VAL 116 3.895 8.794 3.240 879 3HG1 VAL 116 3HG1 VAL 116 4.594 9.402 1.745 880 1HG2 VAL 116 1HG2 VAL 116 4.359 5.196 2.552 881 2HG2 VAL 116 2HG2 VAL 116 3.562 6.393 3.585 882 3HG2 VAL 116 3HG2 VAL 116 2.890 6.017 1.990 883 H GLU 117 H GLU 117 4.256 4.978 -1.066 884 HA GLU 117 HA GLU 117 2.070 6.509 -2.407 885 1HB GLU 117 2HB GLU 117 3.745 4.092 -3.108 886 2HB GLU 117 3HB GLU 117 2.064 4.135 -3.647 887 1HG GLU 117 2HG GLU 117 2.348 6.227 -4.742 888 2HG GLU 117 3HG GLU 117 4.077 6.293 -4.290 889 H TYR 118 H TYR 118 0.388 6.464 -0.918 890 HA TYR 118 HA TYR 118 -0.576 3.783 -0.156 891 1HB TYR 118 2HB TYR 118 -0.468 4.072 2.156 892 2HB TYR 118 3HB TYR 118 1.094 4.681 1.653 893 HD1 TYR 118 HD1 TYR 118 -1.738 5.272 3.649 894 HD2 TYR 118 HD2 TYR 118 1.050 7.385 1.142 895 HE1 TYR 118 HE1 TYR 118 -2.144 7.338 4.932 896 HE2 TYR 118 HE2 TYR 118 0.651 9.450 2.427 897 HH TYR 118 HH TYR 118 -0.459 10.405 4.209 898 H ASN 119 H ASN 119 -2.587 3.942 1.157 899 HA ASN 119 HA ASN 119 -4.379 5.795 -0.265 900 1HB ASN 119 2HB ASN 119 -4.585 3.219 -0.047 901 2HB ASN 119 3HB ASN 119 -5.290 3.553 1.535 902 1HD2 ASN 119 1HD2 ASN 119 -6.116 2.843 -1.501 903 2HD2 ASN 119 2HD2 ASN 119 -7.603 3.733 -1.704 904 HA PRO 120 HA PRO 120 -4.202 7.977 3.720 905 1HB PRO 120 2HB PRO 120 -4.978 10.448 2.971 906 2HB PRO 120 3HB PRO 120 -3.451 9.749 2.366 907 1HG PRO 120 2HG PRO 120 -6.143 9.741 0.960 908 2HG PRO 120 3HG PRO 120 -4.578 10.315 0.307 909 1HD PRO 120 2HD PRO 120 -5.548 7.790 -0.117 910 2HD PRO 120 3HD PRO 120 -3.794 8.117 0.028 911 H LYS 121 H LYS 121 -6.658 6.350 2.581 912 HA LYS 121 HA LYS 121 -8.758 7.702 4.225 913 1HB LYS 121 2HB LYS 121 -9.060 5.442 2.219 914 2HB LYS 121 3HB LYS 121 -10.334 6.356 3.036 915 1HG LYS 121 2HG LYS 121 -8.341 7.426 0.973 916 2HG LYS 121 3HG LYS 121 -10.041 7.101 0.721 917 1HD LYS 121 2HD LYS 121 -10.581 8.819 2.517 918 2HD LYS 121 3HD LYS 121 -8.851 9.216 2.564 919 1HE LYS 121 2HE LYS 121 -8.963 9.704 0.078 920 2HE LYS 121 3HE LYS 121 -10.724 9.521 0.182 921 1HZ LYS 121 1HZ LYS 121 -10.058 11.809 0.376 922 2HZ LYS 121 2HZ LYS 121 -10.721 11.319 1.800 923 3HZ LYS 121 3HZ LYS 121 -9.088 11.479 1.663 924 H GLU 122 H GLU 122 -7.510 4.358 3.486 925 HA GLU 122 HA GLU 122 -8.222 3.222 5.940 926 1HB GLU 122 2HB GLU 122 -5.937 2.706 3.999 927 2HB GLU 122 3HB GLU 122 -6.194 1.718 5.447 928 1HG GLU 122 2HG GLU 122 -7.160 0.672 3.490 929 2HG GLU 122 3HG GLU 122 -8.400 1.029 4.663 930 H ALA 123 H ALA 123 -5.078 4.801 5.073 931 HA ALA 123 HA ALA 123 -4.414 4.922 8.001 932 1HB ALA 123 1HB ALA 123 -3.061 3.278 6.781 933 2HB ALA 123 2HB ALA 123 -2.565 4.529 5.624 934 3HB ALA 123 3HB ALA 123 -2.069 4.635 7.326 935 H SER 124 H SER 124 -2.317 6.623 8.012 936 HA SER 124 HA SER 124 -2.817 9.026 6.469 937 1HB SER 124 2HB SER 124 -3.485 10.416 8.424 938 2HB SER 124 3HB SER 124 -4.702 9.192 8.046 939 HG SER 124 HG SER 124 -3.827 7.902 9.711 940 H VAL 125 H VAL 125 -1.324 10.778 7.163 941 HA VAL 125 HA VAL 125 1.271 10.351 7.756 942 HB VAL 125 HB VAL 125 -0.377 12.591 9.022 943 1HG1 VAL 125 1HG1 VAL 125 1.908 12.576 9.821 944 2HG1 VAL 125 2HG1 VAL 125 2.539 12.432 8.172 945 3HG1 VAL 125 3HG1 VAL 125 1.705 13.910 8.688 946 1HG2 VAL 125 1HG2 VAL 125 0.436 12.161 6.144 947 2HG2 VAL 125 2HG2 VAL 125 -1.085 12.759 6.813 948 3HG2 VAL 125 3HG2 VAL 125 0.335 13.803 6.810 949 H SER 126 H SER 126 -1.300 10.613 10.310 950 HA SER 126 HA SER 126 0.338 10.361 12.532 951 1HB SER 126 2HB SER 126 -2.455 9.200 12.186 952 2HB SER 126 3HB SER 126 -1.693 9.778 13.683 953 HG SER 126 HG SER 126 -3.083 11.361 12.697 954 H ASP 127 H ASP 127 -1.059 7.741 10.488 955 HA ASP 127 HA ASP 127 -0.256 5.540 12.190 956 1HB ASP 127 2HB ASP 127 -1.954 5.120 10.527 957 2HB ASP 127 3HB ASP 127 -0.931 5.764 9.228 958 H LEU 128 H LEU 128 1.099 7.169 9.364 959 HA LEU 128 HA LEU 128 3.433 5.575 9.034 960 1HB LEU 128 2HB LEU 128 2.947 8.486 8.372 961 2HB LEU 128 3HB LEU 128 4.317 7.550 7.804 962 HG LEU 128 HG LEU 128 1.391 6.887 7.190 963 1HD1 LEU 128 1HD1 LEU 128 3.594 8.166 5.542 964 2HD1 LEU 128 2HD1 LEU 128 1.976 7.724 4.935 965 3HD1 LEU 128 3HD1 LEU 128 2.150 8.991 6.162 966 1HD2 LEU 128 1HD2 LEU 128 2.818 4.855 7.071 967 2HD2 LEU 128 2HD2 LEU 128 2.359 5.394 5.459 968 3HD2 LEU 128 3HD2 LEU 128 3.987 5.753 6.070 969 H LYS 129 H LYS 129 2.937 8.621 10.808 970 HA LYS 129 HA LYS 129 5.540 8.917 11.889 971 1HB LYS 129 2HB LYS 129 2.832 9.651 13.071 972 2HB LYS 129 3HB LYS 129 4.370 10.182 13.726 973 1HG LYS 129 2HG LYS 129 4.090 10.791 10.825 974 2HG LYS 129 3HG LYS 129 2.800 11.466 11.817 975 1HD LYS 129 2HD LYS 129 4.479 13.127 11.672 976 2HD LYS 129 3HD LYS 129 4.490 12.499 13.334 977 1HE LYS 129 2HE LYS 129 6.473 11.011 12.589 978 2HE LYS 129 3HE LYS 129 6.401 11.897 11.048 979 1HZ LYS 129 1HZ LYS 129 7.970 12.992 12.225 980 2HZ LYS 129 2HZ LYS 129 6.667 13.936 12.465 981 3HZ LYS 129 3HZ LYS 129 7.161 12.928 13.679 982 H GLU 130 H GLU 130 2.625 7.181 13.251 983 HA GLU 130 HA GLU 130 3.974 6.441 15.609 984 1HB GLU 130 2HB GLU 130 1.382 6.321 14.920 985 2HB GLU 130 3HB GLU 130 1.813 4.664 14.468 986 1HG GLU 130 2HG GLU 130 3.006 4.682 16.827 987 2HG GLU 130 3HG GLU 130 1.924 6.038 17.170 988 H ALA 131 H ALA 131 3.635 4.755 12.461 989 HA ALA 131 HA ALA 131 4.825 2.297 13.224 990 1HB ALA 131 1HB ALA 131 4.833 3.730 10.528 991 2HB ALA 131 2HB ALA 131 5.267 2.031 10.810 992 3HB ALA 131 3HB ALA 131 3.606 2.592 11.122 993 H VAL 132 H VAL 132 6.307 5.273 11.785 994 HA VAL 132 HA VAL 132 8.931 4.114 11.892 995 HB VAL 132 HB VAL 132 7.975 6.941 11.351 996 1HG1 VAL 132 1HG1 VAL 132 10.177 7.149 12.285 997 2HG1 VAL 132 2HG1 VAL 132 10.743 5.703 11.415 998 3HG1 VAL 132 3HG1 VAL 132 10.403 7.212 10.540 999 1HG2 VAL 132 1HG2 VAL 132 8.995 4.575 9.689 1000 2HG2 VAL 132 2HG2 VAL 132 7.398 5.338 9.600 1001 3HG2 VAL 132 3HG2 VAL 132 8.841 6.204 9.042 1002 H ASP 133 H ASP 133 7.000 6.013 14.174 1003 HA ASP 133 HA ASP 133 9.060 6.622 15.969 1004 1HB ASP 133 2HB ASP 133 6.622 7.387 16.087 1005 2HB ASP 133 3HB ASP 133 6.242 5.812 16.805 1006 H LYS 134 H LYS 134 6.939 3.757 15.686 1007 HA LYS 134 HA LYS 134 8.201 2.204 17.664 1008 1HB LYS 134 2HB LYS 134 5.966 1.901 16.429 1009 2HB LYS 134 3HB LYS 134 6.868 0.988 15.215 1010 1HG LYS 134 2HG LYS 134 7.437 -0.723 16.793 1011 2HG LYS 134 3HG LYS 134 7.086 0.331 18.177 1012 1HD LYS 134 2HD LYS 134 4.693 0.414 17.534 1013 2HD LYS 134 3HD LYS 134 5.003 -0.744 16.227 1014 1HE LYS 134 2HE LYS 134 5.619 -2.476 17.845 1015 2HE LYS 134 3HE LYS 134 5.624 -1.304 19.175 1016 1HZ LYS 134 1HZ LYS 134 3.623 -2.593 19.177 1017 2HZ LYS 134 2HZ LYS 134 3.272 -1.014 18.887 1018 3HZ LYS 134 3HZ LYS 134 3.231 -2.101 17.655 1019 H LEU 135 H LEU 135 9.068 2.555 14.200 1020 HA LEU 135 HA LEU 135 11.280 0.668 14.355 1021 1HB LEU 135 2HB LEU 135 10.635 2.954 12.480 1022 2HB LEU 135 3HB LEU 135 12.228 2.253 12.487 1023 HG LEU 135 HG LEU 135 10.947 1.301 10.717 1024 1HD1 LEU 135 1HD1 LEU 135 11.355 -0.887 12.781 1025 2HD1 LEU 135 2HD1 LEU 135 11.568 -0.959 11.028 1026 3HD1 LEU 135 3HD1 LEU 135 12.699 -0.019 12.002 1027 1HD2 LEU 135 1HD2 LEU 135 9.041 0.240 12.843 1028 2HD2 LEU 135 2HD2 LEU 135 8.699 1.465 11.597 1029 3HD2 LEU 135 3HD2 LEU 135 9.028 -0.203 11.130 1030 H GLY 136 H GLY 136 10.901 4.019 15.375 1031 1HA GLY 136 2HA GLY 136 12.179 5.039 17.020 1032 2HA GLY 136 3HA GLY 136 13.483 3.870 16.800 1033 H TYR 137 H TYR 137 11.805 5.850 14.314 1034 HA TYR 137 HA TYR 137 14.199 7.613 14.072 1035 1HB TYR 137 2HB TYR 137 12.715 6.597 11.637 1036 2HB TYR 137 3HB TYR 137 14.192 7.527 11.683 1037 HD1 TYR 137 HD1 TYR 137 13.027 4.382 10.907 1038 HD2 TYR 137 HD2 TYR 137 16.077 6.251 13.318 1039 HE1 TYR 137 HE1 TYR 137 14.279 2.244 11.003 1040 HE2 TYR 137 HE2 TYR 137 17.214 4.084 13.564 1041 HH TYR 137 HH TYR 137 17.054 1.787 13.173 1042 H LYS 138 H LYS 138 13.188 9.438 12.173 1043 HA LYS 138 HA LYS 138 10.468 10.074 13.137 1044 1HB LYS 138 2HB LYS 138 11.050 12.301 13.736 1045 2HB LYS 138 3HB LYS 138 12.055 11.159 14.639 1046 1HG LYS 138 2HG LYS 138 13.831 11.584 12.751 1047 2HG LYS 138 3HG LYS 138 12.805 12.970 12.344 1048 1HD LYS 138 2HD LYS 138 13.049 13.177 15.091 1049 2HD LYS 138 3HD LYS 138 14.609 12.489 14.697 1050 1HE LYS 138 2HE LYS 138 13.699 14.858 13.049 1051 2HE LYS 138 3HE LYS 138 13.950 15.179 14.755 1052 1HZ LYS 138 1HZ LYS 138 15.963 13.848 13.079 1053 2HZ LYS 138 2HZ LYS 138 15.857 15.486 13.300 1054 3HZ LYS 138 3HZ LYS 138 16.175 14.514 14.594 1055 H LEU 139 H LEU 139 9.242 10.353 11.471 1056 HA LEU 139 HA LEU 139 10.290 11.120 8.835 1057 1HB LEU 139 2HB LEU 139 7.549 10.398 9.885 1058 2HB LEU 139 3HB LEU 139 7.817 11.030 8.260 1059 HG LEU 139 HG LEU 139 9.063 8.499 9.372 1060 1HD1 LEU 139 1HD1 LEU 139 6.660 8.273 9.164 1061 2HD1 LEU 139 2HD1 LEU 139 6.691 8.994 7.543 1062 3HD1 LEU 139 3HD1 LEU 139 7.404 7.400 7.806 1063 1HD2 LEU 139 1HD2 LEU 139 9.554 8.008 6.959 1064 2HD2 LEU 139 2HD2 LEU 139 9.043 9.658 6.547 1065 3HD2 LEU 139 3HD2 LEU 139 10.467 9.382 7.571 1066 H LYS 140 H LYS 140 9.513 12.886 7.701 1067 HA LYS 140 HA LYS 140 8.000 15.032 8.998 1068 1HB LYS 140 2HB LYS 140 10.771 15.365 7.761 1069 2HB LYS 140 3HB LYS 140 9.638 16.694 8.010 1070 1HG LYS 140 2HG LYS 140 9.729 15.742 10.549 1071 2HG LYS 140 3HG LYS 140 11.234 15.026 9.945 1072 1HD LYS 140 2HD LYS 140 11.949 17.103 10.799 1073 2HD LYS 140 3HD LYS 140 11.827 17.369 9.062 1074 1HE LYS 140 2HE LYS 140 9.393 18.247 9.548 1075 2HE LYS 140 3HE LYS 140 9.833 18.181 11.255 1076 1HZ LYS 140 1HZ LYS 140 11.163 19.783 9.170 1077 2HZ LYS 140 2HZ LYS 140 10.154 20.352 10.338 1078 3HZ LYS 140 3HZ LYS 140 11.624 19.730 10.750 1079 H LEU 141 H LEU 141 7.697 16.741 6.941 1080 HA LEU 141 HA LEU 141 6.708 15.044 4.710 1081 1HB LEU 141 2HB LEU 141 5.523 17.665 5.663 1082 2HB LEU 141 3HB LEU 141 4.881 16.433 4.578 1083 HG LEU 141 HG LEU 141 5.026 14.878 6.755 1084 1HD1 LEU 141 1HD1 LEU 141 6.063 16.587 8.289 1085 2HD1 LEU 141 2HD1 LEU 141 4.725 17.692 7.939 1086 3HD1 LEU 141 3HD1 LEU 141 4.433 16.174 8.806 1087 1HD2 LEU 141 1HD2 LEU 141 2.695 15.570 7.307 1088 2HD2 LEU 141 2HD2 LEU 141 2.900 17.002 6.284 1089 3HD2 LEU 141 3HD2 LEU 141 2.974 15.369 5.574 1090 H LYS 142 H LYS 142 7.000 16.013 2.572 1091 HA LYS 142 HA LYS 142 9.218 17.919 2.442 1092 1HB LYS 142 2HB LYS 142 8.100 15.900 0.785 1093 2HB LYS 142 3HB LYS 142 7.970 17.362 -0.149 1094 1HG LYS 142 2HG LYS 142 10.080 16.541 -0.727 1095 2HG LYS 142 3HG LYS 142 10.462 17.780 0.480 1096 1HD LYS 142 2HD LYS 142 10.216 15.705 2.163 1097 2HD LYS 142 3HD LYS 142 10.337 14.746 0.710 1098 1HE LYS 142 2HE LYS 142 12.518 14.803 1.607 1099 2HE LYS 142 3HE LYS 142 12.527 15.830 0.156 1100 1HZ LYS 142 1HZ LYS 142 12.346 17.716 1.822 1101 2HZ LYS 142 2HZ LYS 142 12.640 16.602 3.011 1102 3HZ LYS 142 3HZ LYS 142 13.747 16.846 1.890 1103 H GLY 143 H GLY 143 7.650 19.365 3.773 1104 1HA GLY 143 2HA GLY 143 6.335 21.267 3.932 1105 2HA GLY 143 3HA GLY 143 7.061 21.723 2.382 1106 H GLU 144 H GLU 144 5.014 18.850 2.801 1107 HA GLU 144 HA GLU 144 3.402 19.459 0.628 1108 1HB GLU 144 2HB GLU 144 2.187 17.478 1.158 1109 2HB GLU 144 3HB GLU 144 3.883 17.250 1.588 1110 1HG GLU 144 2HG GLU 144 3.042 16.327 3.403 1111 2HG GLU 144 3HG GLU 144 3.009 17.989 4.028 1112 H GLN 145 H GLN 145 3.014 20.454 3.887 1113 HA GLN 145 HA GLN 145 0.659 22.173 3.128 1114 1HB GLN 145 2HB GLN 145 1.563 20.942 5.697 1115 2HB GLN 145 3HB GLN 145 1.229 22.677 5.793 1116 1HG GLN 145 2HG GLN 145 -0.716 21.676 6.380 1117 2HG GLN 145 3HG GLN 145 -0.984 22.319 4.759 1118 1HE2 GLN 145 1HE2 GLN 145 -0.282 20.461 2.933 1119 2HE2 GLN 145 2HE2 GLN 145 -0.672 18.831 3.335 1120 H ASP 146 H ASP 146 3.570 22.337 5.087 1121 HA ASP 146 HA ASP 146 5.099 23.871 5.469 1122 1HB ASP 146 2HB ASP 146 5.314 24.685 3.161 1123 2HB ASP 146 3HB ASP 146 3.888 25.722 3.383 1124 H SER 147 H SER 147 5.110 25.596 6.857 1125 HA SER 147 HA SER 147 4.382 26.661 8.752 1126 1HB SER 147 2HB SER 147 3.582 28.200 6.972 1127 2HB SER 147 3HB SER 147 2.005 27.387 6.986 1128 HG SER 147 HG SER 147 1.891 27.909 9.236 1129 H ILE 148 H ILE 148 3.709 23.840 8.558 1130 HA ILE 148 HA ILE 148 1.184 23.275 9.697 1131 HB ILE 148 HB ILE 148 2.304 21.174 10.414 1132 1HG1 ILE 148 2HG1 ILE 148 4.787 21.841 8.865 1133 2HG1 ILE 148 3HG1 ILE 148 4.691 22.529 10.485 1134 1HG2 ILE 148 1HG2 ILE 148 2.690 20.331 8.148 1135 2HG2 ILE 148 2HG2 ILE 148 1.273 21.393 8.210 1136 3HG2 ILE 148 3HG2 ILE 148 2.805 21.993 7.535 1137 1HD1 ILE 148 1HD1 ILE 148 4.304 20.329 11.472 1138 2HD1 ILE 148 2HD1 ILE 148 4.332 19.572 9.862 1139 3HD1 ILE 148 3HD1 ILE 148 5.799 20.336 10.516 1140 H GLU 149 H GLU 149 1.250 25.295 11.162 1141 HA GLU 149 HA GLU 149 1.829 24.338 13.929 1142 1HB GLU 149 2HB GLU 149 2.593 26.908 12.625 1143 2HB GLU 149 3HB GLU 149 1.741 27.102 14.158 1144 1HG GLU 149 2HG GLU 149 3.333 25.723 15.334 1145 2HG GLU 149 3HG GLU 149 4.124 25.238 13.821 1146 H GLY 150 H GLY 150 0.239 24.995 15.461 1147 1HA GLY 150 2HA GLY 150 -2.491 25.151 14.211 1148 2HA GLY 150 3HA GLY 150 -2.052 24.216 15.641 1149 H ARG 151 H ARG 151 -1.334 25.442 17.607 1150 HA ARG 151 HA ARG 151 -1.838 28.248 17.805 1151 1HB ARG 151 2HB ARG 151 -3.300 26.229 19.598 1152 2HB ARG 151 3HB ARG 151 -3.080 27.943 19.926 1153 1HG ARG 151 2HG ARG 151 -5.243 27.862 19.189 1154 2HG ARG 151 3HG ARG 151 -4.363 28.453 17.783 1155 1HD ARG 151 2HD ARG 151 -4.926 26.654 16.521 1156 2HD ARG 151 3HD ARG 151 -4.619 25.485 17.794 1157 HE ARG 151 HE ARG 151 -7.134 26.657 16.978 1158 1HH1 ARG 151 2HH2 ARG 151 -5.434 25.444 19.790 1159 2HH1 ARG 151 1HH2 ARG 151 -6.838 24.870 20.641 1160 1HH2 ARG 151 2HH1 ARG 151 -9.070 25.967 18.069 1161 2HH2 ARG 151 1HH1 ARG 151 -8.977 25.217 19.628 Start of MODEL 28 1 1H MET 1 H1 MET 1 5.031 -26.101 8.205 2 2H MET 1 H2 MET 1 3.522 -26.244 8.889 3 3H MET 1 H3 MET 1 3.713 -26.261 7.247 4 HA MET 1 HA MET 1 2.957 -24.093 7.822 5 1HB MET 1 2HB MET 1 5.414 -24.111 9.642 6 2HB MET 1 3HB MET 1 4.414 -22.696 9.288 7 1HG MET 1 2HG MET 1 2.492 -23.711 10.413 8 2HG MET 1 3HG MET 1 3.372 -25.226 10.641 9 1HE MET 1 1HE MET 1 4.745 -21.522 11.283 10 2HE MET 1 2HE MET 1 3.036 -21.506 11.796 11 3HE MET 1 3HE MET 1 4.335 -21.398 13.006 12 H LEU 2 H LEU 2 3.535 -22.827 5.997 13 HA LEU 2 HA LEU 2 6.191 -22.382 5.119 14 1HB LEU 2 2HB LEU 2 6.287 -23.723 3.111 15 2HB LEU 2 3HB LEU 2 6.342 -24.678 4.555 16 HG LEU 2 HG LEU 2 5.102 -26.051 3.399 17 1HD1 LEU 2 1HD1 LEU 2 2.781 -24.249 4.161 18 2HD1 LEU 2 2HD1 LEU 2 2.674 -25.940 3.651 19 3HD1 LEU 2 3HD1 LEU 2 3.507 -25.546 5.153 20 1HD2 LEU 2 1HD2 LEU 2 5.219 -24.641 1.314 21 2HD2 LEU 2 2HD2 LEU 2 3.859 -25.759 1.469 22 3HD2 LEU 2 3HD2 LEU 2 3.597 -24.041 1.732 23 H SER 3 H SER 3 4.621 -20.436 5.505 24 HA SER 3 HA SER 3 3.608 -19.443 2.940 25 1HB SER 3 2HB SER 3 1.237 -19.365 3.934 26 2HB SER 3 3HB SER 3 1.794 -20.977 3.463 27 HG SER 3 HG SER 3 2.095 -19.907 6.079 28 H GLU 4 H GLU 4 3.903 -17.222 3.075 29 HA GLU 4 HA GLU 4 3.481 -15.881 5.714 30 1HB GLU 4 2HB GLU 4 5.950 -16.069 5.097 31 2HB GLU 4 3HB GLU 4 5.594 -15.068 3.683 32 1HG GLU 4 2HG GLU 4 4.625 -13.334 5.320 33 2HG GLU 4 3HG GLU 4 5.269 -14.336 6.630 34 H GLN 5 H GLN 5 1.254 -15.846 4.692 35 HA GLN 5 HA GLN 5 0.906 -14.179 2.324 36 1HB GLN 5 2HB GLN 5 -1.159 -14.874 4.475 37 2HB GLN 5 3HB GLN 5 -1.453 -14.245 2.845 38 1HG GLN 5 2HG GLN 5 -0.452 -17.001 3.623 39 2HG GLN 5 3HG GLN 5 -1.910 -16.572 2.733 40 1HE2 GLN 5 1HE2 GLN 5 1.333 -17.542 2.450 41 2HE2 GLN 5 2HE2 GLN 5 1.695 -17.021 0.831 42 H LYS 6 H LYS 6 0.308 -12.022 2.206 43 HA LYS 6 HA LYS 6 0.245 -10.533 4.785 44 1HB LYS 6 2HB LYS 6 1.543 -8.763 3.985 45 2HB LYS 6 3HB LYS 6 2.438 -10.260 3.786 46 1HG LYS 6 2HG LYS 6 2.930 -9.247 1.840 47 2HG LYS 6 3HG LYS 6 1.554 -10.204 1.299 48 1HD LYS 6 2HD LYS 6 0.296 -8.343 0.842 49 2HD LYS 6 3HD LYS 6 0.772 -7.517 2.318 50 1HE LYS 6 2HE LYS 6 3.046 -7.037 1.226 51 2HE LYS 6 3HE LYS 6 2.397 -7.698 -0.266 52 1HZ LYS 6 1HZ LYS 6 2.260 -5.251 -0.066 53 2HZ LYS 6 2HZ LYS 6 0.820 -5.981 -0.349 54 3HZ LYS 6 3HZ LYS 6 1.175 -5.411 1.159 55 H GLU 7 H GLU 7 -1.339 -9.185 5.014 56 HA GLU 7 HA GLU 7 -3.462 -9.057 3.045 57 1HB GLU 7 2HB GLU 7 -3.286 -7.521 5.657 58 2HB GLU 7 3HB GLU 7 -4.710 -8.080 4.785 59 1HG GLU 7 2HG GLU 7 -4.689 -9.665 6.428 60 2HG GLU 7 3HG GLU 7 -3.584 -10.507 5.340 61 H ILE 8 H ILE 8 -4.171 -7.164 2.018 62 HA ILE 8 HA ILE 8 -3.028 -4.607 2.949 63 HB ILE 8 HB ILE 8 -1.646 -5.229 0.997 64 1HG1 ILE 8 2HG1 ILE 8 -3.523 -2.931 0.395 65 2HG1 ILE 8 3HG1 ILE 8 -2.178 -2.847 1.538 66 1HG2 ILE 8 1HG2 ILE 8 -3.436 -6.552 -0.168 67 2HG2 ILE 8 2HG2 ILE 8 -4.202 -5.041 -0.671 68 3HG2 ILE 8 3HG2 ILE 8 -2.574 -5.443 -1.233 69 1HD1 ILE 8 1HD1 ILE 8 -0.585 -3.346 -0.293 70 2HD1 ILE 8 2HD1 ILE 8 -1.926 -3.370 -1.465 71 3HD1 ILE 8 3HD1 ILE 8 -1.534 -1.879 -0.606 72 H ALA 9 H ALA 9 -4.633 -3.056 3.137 73 HA ALA 9 HA ALA 9 -7.329 -3.661 2.037 74 1HB ALA 9 1HB ALA 9 -6.514 -2.325 4.661 75 2HB ALA 9 2HB ALA 9 -8.165 -2.427 4.026 76 3HB ALA 9 3HB ALA 9 -7.302 -3.909 4.486 77 H MET 10 H MET 10 -7.832 -2.141 0.516 78 HA MET 10 HA MET 10 -6.948 0.670 0.929 79 1HB MET 10 2HB MET 10 -6.138 -0.976 -1.494 80 2HB MET 10 3HB MET 10 -6.220 0.786 -1.532 81 1HG MET 10 2HG MET 10 -4.652 0.820 0.496 82 2HG MET 10 3HG MET 10 -4.381 -0.889 0.183 83 1HE MET 10 1HE MET 10 -2.791 -0.607 -3.474 84 2HE MET 10 2HE MET 10 -3.562 -1.715 -2.312 85 3HE MET 10 3HE MET 10 -4.546 -0.543 -3.225 86 H GLN 11 H GLN 11 -7.841 2.040 -1.037 87 HA GLN 11 HA GLN 11 -10.745 1.407 -1.147 88 1HB GLN 11 2HB GLN 11 -9.644 3.380 0.296 89 2HB GLN 11 3HB GLN 11 -9.582 4.174 -1.279 90 1HG GLN 11 2HG GLN 11 -12.134 3.404 -1.399 91 2HG GLN 11 3HG GLN 11 -11.915 3.246 0.362 92 1HE2 GLN 11 1HE2 GLN 11 -12.839 5.088 1.314 93 2HE2 GLN 11 2HE2 GLN 11 -12.600 6.715 0.705 94 H VAL 12 H VAL 12 -11.742 1.573 -3.191 95 HA VAL 12 HA VAL 12 -10.125 2.449 -5.488 96 HB VAL 12 HB VAL 12 -9.562 0.123 -5.133 97 1HG1 VAL 12 1HG1 VAL 12 -12.539 -0.493 -5.112 98 2HG1 VAL 12 2HG1 VAL 12 -11.201 -1.658 -5.030 99 3HG1 VAL 12 3HG1 VAL 12 -11.494 -0.559 -3.684 100 1HG2 VAL 12 1HG2 VAL 12 -10.421 -0.909 -7.186 101 2HG2 VAL 12 2HG2 VAL 12 -11.672 0.336 -7.313 102 3HG2 VAL 12 3HG2 VAL 12 -9.954 0.784 -7.464 103 H SER 13 H SER 13 -11.292 3.218 -7.154 104 HA SER 13 HA SER 13 -14.215 3.609 -6.696 105 1HB SER 13 2HB SER 13 -12.253 5.111 -8.442 106 2HB SER 13 3HB SER 13 -13.957 5.523 -8.159 107 HG SER 13 HG SER 13 -12.512 6.731 -6.790 108 H GLY 14 H GLY 14 -15.462 3.846 -8.724 109 1HA GLY 14 2HA GLY 14 -16.046 3.205 -10.902 110 2HA GLY 14 3HA GLY 14 -14.603 2.193 -11.038 111 H MET 15 H MET 15 -15.330 1.271 -8.111 112 HA MET 15 HA MET 15 -16.784 -1.121 -8.883 113 1HB MET 15 2HB MET 15 -15.996 0.030 -6.186 114 2HB MET 15 3HB MET 15 -17.000 -1.414 -6.363 115 1HG MET 15 2HG MET 15 -15.210 -2.489 -7.722 116 2HG MET 15 3HG MET 15 -14.159 -1.107 -7.360 117 1HE MET 15 1HE MET 15 -12.397 -2.861 -6.509 118 2HE MET 15 2HE MET 15 -12.583 -3.879 -5.066 119 3HE MET 15 3HE MET 15 -13.399 -4.332 -6.548 120 H THR 16 H THR 16 -18.796 -0.553 -9.815 121 HA THR 16 HA THR 16 -20.708 1.094 -8.669 122 HB THR 16 HB THR 16 -21.253 -1.485 -10.194 123 HG1 THR 16 1HG THR 16 -20.684 -0.326 -12.014 124 1HG2 THR 16 1HG2 THR 16 -23.309 -0.262 -9.560 125 2HG2 THR 16 2HG2 THR 16 -22.628 1.244 -10.213 126 3HG2 THR 16 3HG2 THR 16 -23.019 -0.107 -11.297 127 H CYS 17 H CYS 17 -19.634 -1.952 -7.465 128 HA CYS 17 HA CYS 17 -19.921 -2.760 -5.365 129 1HB CYS 17 2HB CYS 17 -22.374 -1.000 -4.915 130 2HB CYS 17 3HB CYS 17 -21.482 -1.925 -3.729 131 HG CYS 17 HG CYS 17 -19.202 -0.683 -3.992 132 H ALA 18 H ALA 18 -21.633 -3.281 -8.006 133 HA ALA 18 HA ALA 18 -22.667 -5.804 -6.933 134 1HB ALA 18 1HB ALA 18 -24.708 -5.592 -8.350 135 2HB ALA 18 2HB ALA 18 -24.686 -4.370 -7.060 136 3HB ALA 18 3HB ALA 18 -24.272 -3.910 -8.727 137 H ALA 19 H ALA 19 -21.854 -7.345 -8.293 138 HA ALA 19 HA ALA 19 -20.806 -8.379 -9.954 139 1HB ALA 19 1HB ALA 19 -21.137 -7.764 -12.252 140 2HB ALA 19 2HB ALA 19 -22.652 -7.559 -11.355 141 3HB ALA 19 3HB ALA 19 -21.681 -6.139 -11.809 142 H CYS 20 H CYS 20 -19.936 -4.866 -10.021 143 HA CYS 20 HA CYS 20 -17.587 -5.124 -11.559 144 1HB CYS 20 2HB CYS 20 -18.579 -3.126 -9.477 145 2HB CYS 20 3HB CYS 20 -17.006 -2.942 -10.268 146 HG CYS 20 HG CYS 20 -17.776 -2.806 -12.654 147 H ALA 21 H ALA 21 -17.963 -4.734 -8.063 148 HA ALA 21 HA ALA 21 -15.316 -5.155 -7.254 149 1HB ALA 21 1HB ALA 21 -16.277 -5.391 -5.067 150 2HB ALA 21 2HB ALA 21 -17.290 -4.254 -5.932 151 3HB ALA 21 3HB ALA 21 -17.837 -5.933 -5.720 152 H ALA 22 H ALA 22 -17.997 -7.497 -7.626 153 HA ALA 22 HA ALA 22 -16.531 -9.812 -6.810 154 1HB ALA 22 1HB ALA 22 -18.328 -11.078 -7.895 155 2HB ALA 22 2HB ALA 22 -18.997 -9.733 -6.951 156 3HB ALA 22 3HB ALA 22 -18.899 -9.615 -8.723 157 H ARG 23 H ARG 23 -16.842 -8.234 -10.021 158 HA ARG 23 HA ARG 23 -15.572 -10.280 -11.512 159 1HB ARG 23 2HB ARG 23 -16.382 -7.429 -11.898 160 2HB ARG 23 3HB ARG 23 -14.930 -7.854 -12.777 161 1HG ARG 23 2HG ARG 23 -17.587 -9.349 -12.935 162 2HG ARG 23 3HG ARG 23 -16.957 -8.161 -14.091 163 1HD ARG 23 2HD ARG 23 -14.816 -9.816 -13.915 164 2HD ARG 23 3HD ARG 23 -16.093 -11.005 -13.623 165 HE ARG 23 HE ARG 23 -17.060 -9.657 -15.793 166 1HH1 ARG 23 2HH2 ARG 23 -13.993 -11.280 -15.179 167 2HH1 ARG 23 1HH2 ARG 23 -13.623 -11.570 -16.852 168 1HH2 ARG 23 2HH1 ARG 23 -16.595 -9.998 -18.028 169 2HH2 ARG 23 1HH1 ARG 23 -15.159 -10.834 -18.508 170 H ILE 24 H ILE 24 -14.303 -7.366 -9.790 171 HA ILE 24 HA ILE 24 -11.596 -7.812 -10.551 172 HB ILE 24 HB ILE 24 -12.760 -6.450 -8.105 173 1HG1 ILE 24 2HG1 ILE 24 -11.528 -5.163 -10.595 174 2HG1 ILE 24 3HG1 ILE 24 -13.236 -5.592 -10.611 175 1HG2 ILE 24 1HG2 ILE 24 -10.645 -5.366 -7.850 176 2HG2 ILE 24 2HG2 ILE 24 -10.497 -7.110 -7.685 177 3HG2 ILE 24 3HG2 ILE 24 -9.966 -6.322 -9.196 178 1HD1 ILE 24 1HD1 ILE 24 -11.981 -3.712 -8.594 179 2HD1 ILE 24 2HD1 ILE 24 -12.943 -3.266 -10.001 180 3HD1 ILE 24 3HD1 ILE 24 -13.708 -4.185 -8.717 181 H GLU 25 H GLU 25 -13.319 -8.725 -7.423 182 HA GLU 25 HA GLU 25 -11.081 -10.099 -6.487 183 1HB GLU 25 2HB GLU 25 -13.987 -10.773 -5.863 184 2HB GLU 25 3HB GLU 25 -12.554 -11.145 -4.887 185 1HG GLU 25 2HG GLU 25 -13.756 -8.409 -5.426 186 2HG GLU 25 3HG GLU 25 -13.542 -9.237 -3.902 187 H LYS 26 H LYS 26 -13.711 -11.420 -8.553 188 HA LYS 26 HA LYS 26 -12.791 -14.082 -8.594 189 1HB LYS 26 2HB LYS 26 -14.988 -13.190 -9.482 190 2HB LYS 26 3HB LYS 26 -14.087 -12.585 -10.889 191 1HG LYS 26 2HG LYS 26 -13.153 -15.001 -11.022 192 2HG LYS 26 3HG LYS 26 -14.449 -15.456 -9.928 193 1HD LYS 26 2HD LYS 26 -14.815 -14.029 -12.616 194 2HD LYS 26 3HD LYS 26 -14.822 -15.780 -12.481 195 1HE LYS 26 2HE LYS 26 -16.791 -13.966 -10.994 196 2HE LYS 26 3HE LYS 26 -17.101 -14.665 -12.589 197 1HZ LYS 26 1HZ LYS 26 -16.619 -16.221 -10.139 198 2HZ LYS 26 2HZ LYS 26 -18.063 -16.006 -10.891 199 3HZ LYS 26 3HZ LYS 26 -16.873 -16.853 -11.640 200 H GLY 27 H GLY 27 -11.920 -11.245 -10.639 201 1HA GLY 27 2HA GLY 27 -10.101 -12.535 -12.396 202 2HA GLY 27 3HA GLY 27 -10.105 -10.820 -11.942 203 H LEU 28 H LEU 28 -9.549 -10.862 -9.253 204 HA LEU 28 HA LEU 28 -6.714 -11.330 -9.250 205 1HB LEU 28 2HB LEU 28 -8.738 -10.401 -7.201 206 2HB LEU 28 3HB LEU 28 -7.108 -10.821 -6.691 207 HG LEU 28 HG LEU 28 -7.447 -8.336 -7.158 208 1HD1 LEU 28 1HD1 LEU 28 -5.337 -8.022 -8.184 209 2HD1 LEU 28 2HD1 LEU 28 -5.205 -9.467 -7.166 210 3HD1 LEU 28 3HD1 LEU 28 -5.333 -9.626 -8.929 211 1HD2 LEU 28 1HD2 LEU 28 -7.541 -9.089 -10.076 212 2HD2 LEU 28 2HD2 LEU 28 -8.897 -8.493 -9.096 213 3HD2 LEU 28 3HD2 LEU 28 -7.497 -7.469 -9.326 214 H LYS 29 H LYS 29 -9.474 -13.176 -7.993 215 HA LYS 29 HA LYS 29 -8.138 -15.248 -6.670 216 1HB LYS 29 2HB LYS 29 -10.793 -14.757 -7.337 217 2HB LYS 29 3HB LYS 29 -10.388 -16.230 -8.191 218 1HG LYS 29 2HG LYS 29 -11.224 -16.882 -6.080 219 2HG LYS 29 3HG LYS 29 -9.489 -17.152 -6.025 220 1HD LYS 29 2HD LYS 29 -9.414 -15.996 -4.099 221 2HD LYS 29 3HD LYS 29 -9.824 -14.526 -5.000 222 1HE LYS 29 2HE LYS 29 -12.228 -14.939 -4.597 223 2HE LYS 29 3HE LYS 29 -11.867 -16.470 -3.791 224 1HZ LYS 29 1HZ LYS 29 -10.836 -15.122 -1.917 225 2HZ LYS 29 2HZ LYS 29 -11.240 -13.759 -2.749 226 3HZ LYS 29 3HZ LYS 29 -12.365 -14.764 -2.217 227 H ARG 30 H ARG 30 -7.974 -14.476 -10.073 228 HA ARG 30 HA ARG 30 -7.320 -17.104 -11.032 229 1HB ARG 30 2HB ARG 30 -8.027 -14.892 -12.250 230 2HB ARG 30 3HB ARG 30 -6.314 -14.519 -12.247 231 1HG ARG 30 2HG ARG 30 -6.031 -15.781 -14.082 232 2HG ARG 30 3HG ARG 30 -6.627 -17.221 -13.248 233 1HD ARG 30 2HD ARG 30 -8.984 -16.560 -13.808 234 2HD ARG 30 3HD ARG 30 -8.388 -15.064 -14.515 235 HE ARG 30 HE ARG 30 -7.797 -16.085 -16.438 236 1HH1 ARG 30 2HH2 ARG 30 -8.302 -18.603 -14.041 237 2HH1 ARG 30 1HH2 ARG 30 -8.508 -19.896 -15.184 238 1HH2 ARG 30 2HH1 ARG 30 -8.061 -17.758 -18.008 239 2HH2 ARG 30 1HH1 ARG 30 -8.329 -19.392 -17.507 240 H MET 31 H MET 31 -5.482 -14.700 -9.220 241 HA MET 31 HA MET 31 -2.892 -15.460 -10.336 242 1HB MET 31 2HB MET 31 -3.842 -13.567 -8.182 243 2HB MET 31 3HB MET 31 -2.127 -13.919 -8.372 244 1HG MET 31 2HG MET 31 -3.612 -13.237 -10.884 245 2HG MET 31 3HG MET 31 -3.385 -11.942 -9.721 246 1HE MET 31 1HE MET 31 -1.996 -10.563 -11.549 247 2HE MET 31 2HE MET 31 -0.596 -11.232 -12.419 248 3HE MET 31 3HE MET 31 -2.221 -11.895 -12.718 249 HA PRO 32 HA PRO 32 -2.294 -18.925 -7.740 250 1HB PRO 32 2HB PRO 32 0.422 -19.278 -7.779 251 2HB PRO 32 3HB PRO 32 -0.634 -19.571 -9.187 252 1HG PRO 32 2HG PRO 32 0.985 -17.087 -8.583 253 2HG PRO 32 3HG PRO 32 0.898 -17.991 -10.117 254 1HD PRO 32 2HD PRO 32 -0.614 -15.765 -9.704 255 2HD PRO 32 3HD PRO 32 -1.282 -17.171 -10.589 256 H GLY 33 H GLY 33 -0.035 -16.157 -6.905 257 1HA GLY 33 2HA GLY 33 0.431 -17.062 -4.257 258 2HA GLY 33 3HA GLY 33 0.686 -15.438 -4.912 259 H VAL 34 H VAL 34 -2.509 -15.813 -5.617 260 HA VAL 34 HA VAL 34 -3.136 -14.097 -3.357 261 HB VAL 34 HB VAL 34 -4.015 -14.105 -5.904 262 1HG1 VAL 34 1HG1 VAL 34 -6.341 -15.329 -4.360 263 2HG1 VAL 34 2HG1 VAL 34 -6.279 -14.721 -6.020 264 3HG1 VAL 34 3HG1 VAL 34 -5.396 -16.185 -5.608 265 1HG2 VAL 34 1HG2 VAL 34 -5.780 -12.564 -5.165 266 2HG2 VAL 34 2HG2 VAL 34 -5.523 -13.072 -3.479 267 3HG2 VAL 34 3HG2 VAL 34 -4.236 -12.234 -4.385 268 H THR 35 H THR 35 -3.852 -14.734 -1.429 269 HA THR 35 HA THR 35 -4.585 -17.594 -1.143 270 HB THR 35 HB THR 35 -3.816 -15.504 0.882 271 HG1 THR 35 1HG THR 35 -2.094 -16.589 -0.064 272 1HG2 THR 35 1HG2 THR 35 -4.085 -17.395 2.536 273 2HG2 THR 35 2HG2 THR 35 -5.631 -16.817 1.905 274 3HG2 THR 35 3HG2 THR 35 -4.916 -18.324 1.279 275 H ASP 36 H ASP 36 -5.771 -14.247 -0.404 276 HA ASP 36 HA ASP 36 -8.411 -15.169 -1.112 277 1HB ASP 36 2HB ASP 36 -8.004 -15.810 1.377 278 2HB ASP 36 3HB ASP 36 -8.181 -14.090 1.709 279 H ALA 37 H ALA 37 -8.905 -13.687 -2.501 280 HA ALA 37 HA ALA 37 -8.403 -10.805 -2.078 281 1HB ALA 37 1HB ALA 37 -7.854 -11.962 -4.242 282 2HB ALA 37 2HB ALA 37 -9.586 -12.275 -4.469 283 3HB ALA 37 3HB ALA 37 -8.980 -10.612 -4.424 284 H ASN 38 H ASN 38 -10.022 -9.526 -1.165 285 HA ASN 38 HA ASN 38 -12.854 -10.244 -1.612 286 1HB ASN 38 2HB ASN 38 -11.603 -9.784 1.139 287 2HB ASN 38 3HB ASN 38 -13.340 -9.862 0.811 288 1HD2 ASN 38 1HD2 ASN 38 -10.343 -11.767 0.927 289 2HD2 ASN 38 2HD2 ASN 38 -11.146 -13.320 0.703 290 H VAL 39 H VAL 39 -14.257 -8.429 -0.677 291 HA VAL 39 HA VAL 39 -13.018 -5.797 -0.500 292 HB VAL 39 HB VAL 39 -13.049 -6.144 -2.907 293 1HG1 VAL 39 1HG1 VAL 39 -15.021 -7.828 -2.860 294 2HG1 VAL 39 2HG1 VAL 39 -16.060 -6.402 -2.923 295 3HG1 VAL 39 3HG1 VAL 39 -14.858 -6.712 -4.203 296 1HG2 VAL 39 1HG2 VAL 39 -14.528 -3.997 -1.560 297 2HG2 VAL 39 2HG2 VAL 39 -13.399 -3.938 -2.904 298 3HG2 VAL 39 3HG2 VAL 39 -15.110 -4.268 -3.205 299 H ASN 40 H ASN 40 -13.977 -4.805 1.024 300 HA ASN 40 HA ASN 40 -16.822 -5.344 1.745 301 1HB ASN 40 2HB ASN 40 -14.619 -3.580 2.896 302 2HB ASN 40 3HB ASN 40 -16.315 -3.447 3.379 303 1HD2 ASN 40 1HD2 ASN 40 -17.317 -5.093 4.611 304 2HD2 ASN 40 2HD2 ASN 40 -16.356 -6.340 5.377 305 H LEU 41 H LEU 41 -17.199 -4.854 -0.589 306 HA LEU 41 HA LEU 41 -17.086 -2.264 -1.684 307 1HB LEU 41 2HB LEU 41 -19.069 -2.920 -3.017 308 2HB LEU 41 3HB LEU 41 -17.760 -4.096 -3.016 309 HG LEU 41 HG LEU 41 -19.217 -5.215 -1.110 310 1HD1 LEU 41 1HD1 LEU 41 -21.410 -3.890 -2.735 311 2HD1 LEU 41 2HD1 LEU 41 -21.599 -4.991 -1.370 312 3HD1 LEU 41 3HD1 LEU 41 -20.996 -3.351 -1.111 313 1HD2 LEU 41 1HD2 LEU 41 -19.902 -5.303 -4.075 314 2HD2 LEU 41 2HD2 LEU 41 -18.654 -6.264 -3.250 315 3HD2 LEU 41 3HD2 LEU 41 -20.366 -6.539 -2.886 316 H ALA 42 H ALA 42 -19.061 -3.472 0.873 317 HA ALA 42 HA ALA 42 -21.075 -1.510 0.961 318 1HB ALA 42 1HB ALA 42 -21.340 -2.225 3.327 319 2HB ALA 42 2HB ALA 42 -21.147 -3.629 2.255 320 3HB ALA 42 3HB ALA 42 -19.779 -3.069 3.250 321 H THR 43 H THR 43 -17.686 -1.461 2.085 322 HA THR 43 HA THR 43 -18.043 1.429 2.754 323 HB THR 43 HB THR 43 -16.148 1.087 4.346 324 HG1 THR 43 1HG THR 43 -15.690 -1.061 4.939 325 1HG2 THR 43 1HG2 THR 43 -17.487 0.081 6.129 326 2HG2 THR 43 2HG2 THR 43 -18.529 1.099 5.118 327 3HG2 THR 43 3HG2 THR 43 -18.578 -0.667 4.949 328 H GLU 44 H GLU 44 -17.462 -0.085 0.191 329 HA GLU 44 HA GLU 44 -15.948 -0.151 -1.519 330 1HB GLU 44 2HB GLU 44 -15.750 2.753 -0.636 331 2HB GLU 44 3HB GLU 44 -15.157 2.132 -2.182 332 1HG GLU 44 2HG GLU 44 -17.402 1.410 -2.828 333 2HG GLU 44 3HG GLU 44 -18.062 1.950 -1.272 334 H THR 45 H THR 45 -14.648 -1.501 0.401 335 HA THR 45 HA THR 45 -11.875 -0.387 0.368 336 HB THR 45 HB THR 45 -13.429 -1.615 2.669 337 HG1 THR 45 1HG THR 45 -13.738 0.608 2.270 338 1HG2 THR 45 1HG2 THR 45 -11.301 -1.220 3.954 339 2HG2 THR 45 2HG2 THR 45 -11.193 -2.498 2.732 340 3HG2 THR 45 3HG2 THR 45 -10.474 -0.908 2.405 341 H VAL 46 H VAL 46 -10.740 -1.700 -0.923 342 HA VAL 46 HA VAL 46 -11.580 -4.490 -1.386 343 HB VAL 46 HB VAL 46 -11.157 -3.221 -3.348 344 1HG1 VAL 46 1HG1 VAL 46 -8.923 -2.345 -3.956 345 2HG1 VAL 46 2HG1 VAL 46 -9.613 -1.456 -2.603 346 3HG1 VAL 46 3HG1 VAL 46 -8.334 -2.656 -2.320 347 1HG2 VAL 46 1HG2 VAL 46 -8.814 -5.078 -2.892 348 2HG2 VAL 46 2HG2 VAL 46 -10.472 -5.614 -3.249 349 3HG2 VAL 46 3HG2 VAL 46 -9.568 -4.662 -4.443 350 H ASN 47 H ASN 47 -10.513 -6.172 -0.460 351 HA ASN 47 HA ASN 47 -8.169 -5.560 1.267 352 1HB ASN 47 2HB ASN 47 -10.633 -7.248 1.889 353 2HB ASN 47 3HB ASN 47 -9.166 -7.229 2.877 354 1HD2 ASN 47 1HD2 ASN 47 -12.049 -6.372 3.550 355 2HD2 ASN 47 2HD2 ASN 47 -11.812 -4.759 4.151 356 H VAL 48 H VAL 48 -6.537 -6.724 0.290 357 HA VAL 48 HA VAL 48 -7.242 -9.385 -0.912 358 HB VAL 48 HB VAL 48 -4.990 -7.694 -1.970 359 1HG1 VAL 48 1HG1 VAL 48 -6.838 -9.694 -3.352 360 2HG1 VAL 48 2HG1 VAL 48 -5.286 -9.090 -3.931 361 3HG1 VAL 48 3HG1 VAL 48 -5.346 -10.204 -2.553 362 1HG2 VAL 48 1HG2 VAL 48 -7.921 -7.529 -2.793 363 2HG2 VAL 48 2HG2 VAL 48 -6.872 -6.200 -2.233 364 3HG2 VAL 48 3HG2 VAL 48 -6.572 -6.964 -3.797 365 H ILE 49 H ILE 49 -6.154 -11.107 -0.158 366 HA ILE 49 HA ILE 49 -3.694 -10.635 1.464 367 HB ILE 49 HB ILE 49 -5.839 -12.775 1.724 368 1HG1 ILE 49 2HG1 ILE 49 -5.163 -10.585 3.723 369 2HG1 ILE 49 3HG1 ILE 49 -6.410 -10.352 2.505 370 1HG2 ILE 49 1HG2 ILE 49 -3.614 -13.644 2.316 371 2HG2 ILE 49 2HG2 ILE 49 -3.300 -12.231 3.336 372 3HG2 ILE 49 3HG2 ILE 49 -4.548 -13.408 3.788 373 1HD1 ILE 49 1HD1 ILE 49 -7.398 -11.053 4.592 374 2HD1 ILE 49 2HD1 ILE 49 -7.692 -12.235 3.305 375 3HD1 ILE 49 3HD1 ILE 49 -6.482 -12.569 4.568 376 H TYR 50 H TYR 50 -1.871 -11.482 0.521 377 HA TYR 50 HA TYR 50 -2.026 -13.907 -1.148 378 1HB TYR 50 2HB TYR 50 -1.058 -12.713 -3.144 379 2HB TYR 50 3HB TYR 50 -2.684 -12.161 -2.738 380 HD1 TYR 50 HD1 TYR 50 0.897 -11.143 -2.635 381 HD2 TYR 50 HD2 TYR 50 -3.215 -10.026 -1.997 382 HE1 TYR 50 HE1 TYR 50 1.589 -8.804 -2.211 383 HE2 TYR 50 HE2 TYR 50 -2.547 -7.694 -1.732 384 HH TYR 50 HH TYR 50 -0.695 -6.175 -1.841 385 H ASP 51 H ASP 51 0.211 -14.351 -2.122 386 HA ASP 51 HA ASP 51 2.046 -14.162 0.109 387 1HB ASP 51 2HB ASP 51 1.505 -16.240 -1.280 388 2HB ASP 51 3HB ASP 51 2.567 -15.567 -2.522 389 HA PRO 52 HA PRO 52 4.162 -10.743 -2.006 390 1HB PRO 52 2HB PRO 52 6.020 -10.085 -0.131 391 2HB PRO 52 3HB PRO 52 4.276 -9.863 0.139 392 1HG PRO 52 2HG PRO 52 5.995 -12.202 1.031 393 2HG PRO 52 3HG PRO 52 4.893 -11.229 2.044 394 1HD PRO 52 2HD PRO 52 4.184 -13.615 0.882 395 2HD PRO 52 3HD PRO 52 2.997 -12.297 1.140 396 H ALA 53 H ALA 53 4.823 -13.569 -2.692 397 HA ALA 53 HA ALA 53 7.459 -13.056 -3.841 398 1HB ALA 53 1HB ALA 53 8.009 -14.026 -1.566 399 2HB ALA 53 2HB ALA 53 7.037 -15.456 -2.000 400 3HB ALA 53 3HB ALA 53 8.514 -15.081 -2.906 401 H GLU 54 H GLU 54 4.693 -13.598 -4.616 402 HA GLU 54 HA GLU 54 5.390 -15.434 -6.818 403 1HB GLU 54 2HB GLU 54 2.843 -15.526 -5.145 404 2HB GLU 54 3HB GLU 54 2.932 -16.147 -6.801 405 1HG GLU 54 2HG GLU 54 4.923 -17.583 -5.949 406 2HG GLU 54 3HG GLU 54 4.326 -17.196 -4.325 407 H THR 55 H THR 55 3.070 -13.021 -5.449 408 HA THR 55 HA THR 55 2.128 -12.426 -8.194 409 HB THR 55 HB THR 55 0.923 -12.328 -5.419 410 HG1 THR 55 1HG THR 55 -0.514 -13.769 -6.479 411 1HG2 THR 55 1HG2 THR 55 -1.184 -11.627 -6.713 412 2HG2 THR 55 2HG2 THR 55 0.064 -10.404 -6.393 413 3HG2 THR 55 3HG2 THR 55 -0.068 -11.143 -8.014 414 H GLY 56 H GLY 56 1.835 -10.237 -5.359 415 1HA GLY 56 2HA GLY 56 3.754 -8.771 -4.837 416 2HA GLY 56 3HA GLY 56 3.949 -8.465 -6.564 417 H THR 57 H THR 57 2.803 -7.131 -3.919 418 HA THR 57 HA THR 57 0.265 -6.244 -4.142 419 HB THR 57 HB THR 57 2.054 -5.716 -2.433 420 HG1 THR 57 1HG THR 57 0.264 -3.624 -3.019 421 1HG2 THR 57 1HG2 THR 57 3.090 -3.536 -2.442 422 2HG2 THR 57 2HG2 THR 57 3.604 -4.445 -3.879 423 3HG2 THR 57 3HG2 THR 57 2.389 -3.151 -4.018 424 H ALA 58 H ALA 58 2.943 -4.870 -6.058 425 HA ALA 58 HA ALA 58 1.439 -2.787 -7.286 426 1HB ALA 58 1HB ALA 58 3.869 -4.308 -8.328 427 2HB ALA 58 2HB ALA 58 3.254 -2.762 -8.953 428 3HB ALA 58 3HB ALA 58 3.896 -2.853 -7.301 429 H ALA 59 H ALA 59 1.794 -6.271 -8.092 430 HA ALA 59 HA ALA 59 0.527 -6.048 -10.676 431 1HB ALA 59 1HB ALA 59 0.808 -8.473 -8.899 432 2HB ALA 59 2HB ALA 59 0.394 -8.424 -10.624 433 3HB ALA 59 3HB ALA 59 2.012 -7.908 -10.089 434 H ILE 60 H ILE 60 -0.501 -6.529 -7.313 435 HA ILE 60 HA ILE 60 -3.200 -7.340 -7.848 436 HB ILE 60 HB ILE 60 -2.307 -5.632 -5.493 437 1HG1 ILE 60 2HG1 ILE 60 -0.773 -7.618 -5.668 438 2HG1 ILE 60 3HG1 ILE 60 -1.744 -7.507 -4.225 439 1HG2 ILE 60 1HG2 ILE 60 -4.558 -7.595 -5.801 440 2HG2 ILE 60 2HG2 ILE 60 -4.008 -6.886 -4.265 441 3HG2 ILE 60 3HG2 ILE 60 -4.665 -5.840 -5.545 442 1HD1 ILE 60 1HD1 ILE 60 -3.263 -9.251 -5.077 443 2HD1 ILE 60 2HD1 ILE 60 -2.324 -9.312 -6.594 444 3HD1 ILE 60 3HD1 ILE 60 -1.591 -9.782 -5.037 445 H GLN 61 H GLN 61 -1.753 -4.085 -7.224 446 HA GLN 61 HA GLN 61 -4.220 -2.745 -7.829 447 1HB GLN 61 2HB GLN 61 -3.201 -0.740 -7.642 448 2HB GLN 61 3HB GLN 61 -2.230 -1.751 -6.564 449 1HG GLN 61 2HG GLN 61 -0.436 -1.812 -8.213 450 2HG GLN 61 3HG GLN 61 -1.417 -0.949 -9.410 451 1HE2 GLN 61 1HE2 GLN 61 -1.977 1.277 -8.978 452 2HE2 GLN 61 2HE2 GLN 61 -0.977 2.203 -7.836 453 H GLU 62 H GLU 62 -1.421 -3.705 -9.874 454 HA GLU 62 HA GLU 62 -2.184 -2.453 -12.250 455 1HB GLU 62 2HB GLU 62 -0.076 -3.693 -11.841 456 2HB GLU 62 3HB GLU 62 -0.970 -5.224 -11.934 457 1HG GLU 62 2HG GLU 62 -1.107 -3.327 -14.254 458 2HG GLU 62 3HG GLU 62 0.368 -4.250 -13.981 459 H LYS 63 H LYS 63 -3.400 -5.566 -10.796 460 HA LYS 63 HA LYS 63 -4.867 -6.180 -13.086 461 1HB LYS 63 2HB LYS 63 -4.605 -7.171 -10.300 462 2HB LYS 63 3HB LYS 63 -6.145 -7.531 -11.042 463 1HG LYS 63 2HG LYS 63 -3.520 -8.115 -12.474 464 2HG LYS 63 3HG LYS 63 -4.226 -9.208 -11.281 465 1HD LYS 63 2HD LYS 63 -5.079 -10.108 -13.180 466 2HD LYS 63 3HD LYS 63 -6.416 -9.082 -12.641 467 1HE LYS 63 2HE LYS 63 -5.882 -7.408 -14.377 468 2HE LYS 63 3HE LYS 63 -4.374 -8.265 -14.776 469 1HZ LYS 63 1HZ LYS 63 -6.090 -8.685 -16.339 470 2HZ LYS 63 2HZ LYS 63 -5.819 -10.087 -15.521 471 3HZ LYS 63 3HZ LYS 63 -7.149 -9.167 -15.180 472 H ILE 64 H ILE 64 -5.802 -4.489 -10.071 473 HA ILE 64 HA ILE 64 -8.551 -4.044 -10.644 474 HB ILE 64 HB ILE 64 -6.476 -2.312 -9.227 475 1HG1 ILE 64 2HG1 ILE 64 -8.694 -4.135 -8.172 476 2HG1 ILE 64 3HG1 ILE 64 -6.994 -4.600 -8.263 477 1HG2 ILE 64 1HG2 ILE 64 -8.311 -1.068 -8.241 478 2HG2 ILE 64 2HG2 ILE 64 -8.313 -0.872 -9.976 479 3HG2 ILE 64 3HG2 ILE 64 -9.487 -1.981 -9.218 480 1HD1 ILE 64 1HD1 ILE 64 -7.435 -3.959 -6.018 481 2HD1 ILE 64 2HD1 ILE 64 -6.428 -2.688 -6.740 482 3HD1 ILE 64 3HD1 ILE 64 -8.176 -2.429 -6.499 483 H GLU 65 H GLU 65 -5.636 -2.171 -11.565 484 HA GLU 65 HA GLU 65 -7.044 -0.160 -12.980 485 1HB GLU 65 2HB GLU 65 -4.167 -1.110 -13.198 486 2HB GLU 65 3HB GLU 65 -4.797 0.374 -13.927 487 1HG GLU 65 2HG GLU 65 -5.390 1.293 -11.758 488 2HG GLU 65 3HG GLU 65 -5.039 -0.206 -10.929 489 H LYS 66 H LYS 66 -5.425 -3.108 -14.267 490 HA LYS 66 HA LYS 66 -6.212 -2.810 -16.978 491 1HB LYS 66 2HB LYS 66 -5.204 -5.053 -15.292 492 2HB LYS 66 3HB LYS 66 -6.047 -5.460 -16.789 493 1HG LYS 66 2HG LYS 66 -3.743 -5.263 -17.250 494 2HG LYS 66 3HG LYS 66 -4.609 -3.980 -18.102 495 1HD LYS 66 2HD LYS 66 -3.921 -2.375 -16.268 496 2HD LYS 66 3HD LYS 66 -3.015 -3.681 -15.518 497 1HE LYS 66 2HE LYS 66 -2.522 -2.444 -18.275 498 2HE LYS 66 3HE LYS 66 -1.568 -2.165 -16.808 499 1HZ LYS 66 1HZ LYS 66 -1.795 -4.754 -18.201 500 2HZ LYS 66 2HZ LYS 66 -0.478 -3.762 -18.192 501 3HZ LYS 66 3HZ LYS 66 -0.983 -4.506 -16.821 502 H LEU 67 H LEU 67 -8.000 -4.211 -14.210 503 HA LEU 67 HA LEU 67 -10.174 -5.211 -15.806 504 1HB LEU 67 2HB LEU 67 -9.665 -4.773 -12.915 505 2HB LEU 67 3HB LEU 67 -11.336 -4.759 -13.416 506 HG LEU 67 HG LEU 67 -9.997 -7.019 -14.700 507 1HD1 LEU 67 1HD1 LEU 67 -9.740 -8.337 -12.596 508 2HD1 LEU 67 2HD1 LEU 67 -8.517 -7.091 -12.891 509 3HD1 LEU 67 3HD1 LEU 67 -9.800 -6.801 -11.693 510 1HD2 LEU 67 1HD2 LEU 67 -11.900 -8.214 -13.717 511 2HD2 LEU 67 2HD2 LEU 67 -12.299 -6.801 -12.716 512 3HD2 LEU 67 3HD2 LEU 67 -12.434 -6.704 -14.486 513 H GLY 68 H GLY 68 -9.223 -1.970 -15.166 514 1HA GLY 68 2HA GLY 68 -10.116 -0.209 -16.379 515 2HA GLY 68 3HA GLY 68 -11.681 -1.018 -16.519 516 H TYR 69 H TYR 69 -9.685 -0.474 -13.609 517 HA TYR 69 HA TYR 69 -11.746 1.385 -12.471 518 1HB TYR 69 2HB TYR 69 -10.338 -0.936 -11.124 519 2HB TYR 69 3HB TYR 69 -11.364 0.228 -10.297 520 HD1 TYR 69 HD1 TYR 69 -11.302 -2.521 -12.784 521 HD2 TYR 69 HD2 TYR 69 -13.771 0.029 -10.374 522 HE1 TYR 69 HE1 TYR 69 -13.325 -3.789 -13.512 523 HE2 TYR 69 HE2 TYR 69 -15.782 -1.244 -11.095 524 HH TYR 69 HH TYR 69 -15.545 -4.040 -13.303 525 H HIS 70 H HIS 70 -10.670 2.349 -10.294 526 HA HIS 70 HA HIS 70 -7.807 2.928 -10.701 527 1HB HIS 70 2HB HIS 70 -10.019 4.905 -11.137 528 2HB HIS 70 3HB HIS 70 -8.696 5.442 -10.112 529 HD1 HIS 70 1HD HIS 70 -9.336 4.482 -13.759 530 HD2 HIS 70 2HD HIS 70 -6.268 5.783 -11.190 531 HE1 HIS 70 1HE HIS 70 -7.409 5.262 -15.248 532 H VAL 71 H VAL 71 -6.743 3.324 -8.835 533 HA VAL 71 HA VAL 71 -8.179 2.719 -6.335 534 HB VAL 71 HB VAL 71 -5.969 2.340 -5.442 535 1HG1 VAL 71 1HG1 VAL 71 -7.172 0.515 -6.567 536 2HG1 VAL 71 2HG1 VAL 71 -6.340 0.901 -8.093 537 3HG1 VAL 71 3HG1 VAL 71 -5.413 0.341 -6.690 538 1HG2 VAL 71 1HG2 VAL 71 -3.944 2.364 -6.805 539 2HG2 VAL 71 2HG2 VAL 71 -4.836 2.906 -8.232 540 3HG2 VAL 71 3HG2 VAL 71 -4.633 3.987 -6.842 541 H VAL 72 H VAL 72 -8.271 4.107 -4.552 542 HA VAL 72 HA VAL 72 -7.872 6.975 -5.261 543 HB VAL 72 HB VAL 72 -9.298 5.674 -2.930 544 1HG1 VAL 72 1HG1 VAL 72 -8.659 8.041 -2.430 545 2HG1 VAL 72 2HG1 VAL 72 -9.293 8.549 -4.006 546 3HG1 VAL 72 3HG1 VAL 72 -10.389 7.955 -2.750 547 1HG2 VAL 72 1HG2 VAL 72 -10.444 5.090 -5.008 548 2HG2 VAL 72 2HG2 VAL 72 -11.374 6.313 -4.144 549 3HG2 VAL 72 3HG2 VAL 72 -10.383 6.785 -5.540 550 H THR 73 H THR 73 -5.494 6.329 -5.225 551 HA THR 73 HA THR 73 -4.390 6.441 -2.452 552 HB THR 73 HB THR 73 -2.885 4.808 -4.449 553 HG1 THR 73 1HG THR 73 -5.039 4.151 -4.844 554 1HG2 THR 73 1HG2 THR 73 -3.882 4.211 -1.630 555 2HG2 THR 73 2HG2 THR 73 -2.544 3.413 -2.471 556 3HG2 THR 73 3HG2 THR 73 -2.395 5.115 -2.001 557 H GLU 74 H GLU 74 -2.573 7.762 -2.228 558 HA GLU 74 HA GLU 74 -1.960 9.395 -4.652 559 1HB GLU 74 2HB GLU 74 -2.626 10.222 -1.817 560 2HB GLU 74 3HB GLU 74 -1.647 11.262 -2.855 561 1HG GLU 74 2HG GLU 74 -4.358 10.220 -3.764 562 2HG GLU 74 3HG GLU 74 -4.151 11.730 -2.865 563 H LYS 75 H LYS 75 0.010 9.786 -5.100 564 HA LYS 75 HA LYS 75 2.187 8.451 -3.643 565 1HB LYS 75 2HB LYS 75 3.502 8.834 -5.595 566 2HB LYS 75 3HB LYS 75 1.930 8.168 -6.044 567 1HG LYS 75 2HG LYS 75 1.347 10.797 -6.305 568 2HG LYS 75 3HG LYS 75 3.094 10.844 -6.577 569 1HD LYS 75 2HD LYS 75 2.771 9.000 -8.332 570 2HD LYS 75 3HD LYS 75 1.032 9.111 -8.038 571 1HE LYS 75 2HE LYS 75 1.530 10.393 -10.023 572 2HE LYS 75 3HE LYS 75 1.037 11.500 -8.732 573 1HZ LYS 75 1HZ LYS 75 3.362 11.994 -8.356 574 2HZ LYS 75 2HZ LYS 75 3.821 10.947 -9.541 575 3HZ LYS 75 3HZ LYS 75 2.963 12.299 -9.920 576 H ALA 76 H ALA 76 2.139 9.706 -1.739 577 HA ALA 76 HA ALA 76 2.787 12.597 -1.895 578 1HB ALA 76 1HB ALA 76 2.859 12.154 0.685 579 2HB ALA 76 2HB ALA 76 1.295 12.087 -0.156 580 3HB ALA 76 3HB ALA 76 2.129 10.594 0.293 581 H GLU 77 H GLU 77 4.717 13.366 -0.655 582 HA GLU 77 HA GLU 77 7.003 11.436 -0.637 583 1HB GLU 77 2HB GLU 77 7.203 14.320 -1.563 584 2HB GLU 77 3HB GLU 77 8.500 13.138 -1.281 585 1HG GLU 77 2HG GLU 77 7.550 11.677 -3.068 586 2HG GLU 77 3HG GLU 77 6.413 12.981 -3.459 587 H PHE 78 H PHE 78 7.744 11.196 1.324 588 HA PHE 78 HA PHE 78 7.602 13.449 3.301 589 1HB PHE 78 2HB PHE 78 7.511 10.444 3.624 590 2HB PHE 78 3HB PHE 78 8.003 11.505 4.929 591 HD1 PHE 78 1HD PHE 78 6.168 10.298 6.160 592 HD2 PHE 78 2HD PHE 78 5.309 13.011 2.907 593 HE1 PHE 78 1HE PHE 78 3.774 10.282 6.750 594 HE2 PHE 78 2HE PHE 78 2.940 12.920 3.441 595 HZ PHE 78 HZ PHE 78 2.130 11.490 5.314 596 H ASP 79 H ASP 79 9.434 13.592 4.668 597 HA ASP 79 HA ASP 79 12.044 13.048 3.331 598 1HB ASP 79 2HB ASP 79 11.461 15.398 3.368 599 2HB ASP 79 3HB ASP 79 11.060 15.332 5.080 600 H ILE 80 H ILE 80 13.809 12.401 4.917 601 HA ILE 80 HA ILE 80 12.666 11.147 7.394 602 HB ILE 80 HB ILE 80 14.901 10.152 5.618 603 1HG1 ILE 80 2HG1 ILE 80 12.036 9.097 5.597 604 2HG1 ILE 80 3HG1 ILE 80 12.659 10.209 4.377 605 1HG2 ILE 80 1HG2 ILE 80 13.244 8.743 7.754 606 2HG2 ILE 80 2HG2 ILE 80 14.573 8.026 6.819 607 3HG2 ILE 80 3HG2 ILE 80 14.909 9.319 7.958 608 1HD1 ILE 80 1HD1 ILE 80 13.628 7.437 4.885 609 2HD1 ILE 80 2HD1 ILE 80 12.928 8.178 3.430 610 3HD1 ILE 80 3HD1 ILE 80 14.547 8.661 3.950 611 H GLU 81 H GLU 81 13.802 11.449 9.284 612 HA GLU 81 HA GLU 81 16.645 12.357 9.062 613 1HB GLU 81 2HB GLU 81 16.263 13.892 10.938 614 2HB GLU 81 3HB GLU 81 15.423 14.354 9.449 615 1HG GLU 81 2HG GLU 81 13.676 12.718 10.992 616 2HG GLU 81 3HG GLU 81 14.310 13.997 12.056 617 H GLY 82 H GLY 82 17.479 10.344 9.490 618 1HA GLY 82 2HA GLY 82 17.406 9.402 12.222 619 2HA GLY 82 3HA GLY 82 16.351 8.422 11.192 620 H MET 83 H MET 83 17.807 8.123 8.782 621 HA MET 83 HA MET 83 19.411 6.068 9.258 622 1HB MET 83 2HB MET 83 18.193 6.822 7.180 623 2HB MET 83 3HB MET 83 19.439 8.051 6.968 624 1HG MET 83 2HG MET 83 21.008 5.888 7.201 625 2HG MET 83 3HG MET 83 19.549 5.068 6.656 626 1HE MET 83 1HE MET 83 22.054 8.108 4.238 627 2HE MET 83 2HE MET 83 21.166 8.628 5.680 628 3HE MET 83 3HE MET 83 22.489 7.454 5.833 629 H THR 84 H THR 84 20.865 6.388 10.889 630 HA THR 84 HA THR 84 23.024 8.088 10.970 631 HB THR 84 HB THR 84 22.462 6.442 12.687 632 HG1 THR 84 1HG THR 84 24.600 5.971 13.230 633 1HG2 THR 84 1HG2 THR 84 23.835 4.346 10.941 634 2HG2 THR 84 2HG2 THR 84 23.183 4.121 12.570 635 3HG2 THR 84 3HG2 THR 84 22.080 4.428 11.220 636 H CYS 85 H CYS 85 22.624 5.293 8.704 637 HA CYS 85 HA CYS 85 24.678 6.420 7.016 638 1HB CYS 85 2HB CYS 85 26.220 5.434 8.744 639 2HB CYS 85 3HB CYS 85 25.478 3.844 8.467 640 HG CYS 85 HG CYS 85 26.928 5.867 6.303 641 H ALA 86 H ALA 86 23.229 3.314 8.008 642 HA ALA 86 HA ALA 86 21.611 3.150 5.670 643 1HB ALA 86 1HB ALA 86 23.793 1.023 6.034 644 2HB ALA 86 2HB ALA 86 22.528 1.020 4.782 645 3HB ALA 86 3HB ALA 86 23.798 2.245 4.747 646 H ALA 87 H ALA 87 20.916 0.484 5.923 647 HA ALA 87 HA ALA 87 19.697 -0.944 7.094 648 1HB ALA 87 1HB ALA 87 21.017 0.053 9.628 649 2HB ALA 87 2HB ALA 87 20.132 -1.463 9.369 650 3HB ALA 87 3HB ALA 87 21.655 -1.182 8.508 651 H CYS 88 H CYS 88 19.584 2.303 8.784 652 HA CYS 88 HA CYS 88 17.009 1.938 9.878 653 1HB CYS 88 2HB CYS 88 18.175 4.491 8.751 654 2HB CYS 88 3HB CYS 88 16.921 4.379 9.988 655 HG CYS 88 HG CYS 88 18.447 3.006 11.693 656 H ALA 89 H ALA 89 18.039 3.359 6.783 657 HA ALA 89 HA ALA 89 15.471 3.879 5.609 658 1HB ALA 89 1HB ALA 89 17.568 4.791 4.665 659 2HB ALA 89 2HB ALA 89 18.147 3.148 4.345 660 3HB ALA 89 3HB ALA 89 16.772 3.796 3.440 661 H ASN 90 H ASN 90 17.384 0.901 5.874 662 HA ASN 90 HA ASN 90 15.873 -0.623 3.970 663 1HB ASN 90 2HB ASN 90 18.205 -0.985 5.424 664 2HB ASN 90 3HB ASN 90 17.121 -2.097 6.252 665 1HD2 ASN 90 1HD2 ASN 90 19.160 -1.584 3.569 666 2HD2 ASN 90 2HD2 ASN 90 18.818 -3.082 2.751 667 H ARG 91 H ARG 91 15.881 -0.411 7.526 668 HA ARG 91 HA ARG 91 13.710 -2.144 8.080 669 1HB ARG 91 2HB ARG 91 15.192 0.049 9.504 670 2HB ARG 91 3HB ARG 91 13.614 -0.353 10.152 671 1HG ARG 91 2HG ARG 91 15.674 -2.519 9.579 672 2HG ARG 91 3HG ARG 91 15.680 -1.590 11.085 673 1HD ARG 91 2HD ARG 91 13.378 -2.224 11.582 674 2HD ARG 91 3HD ARG 91 13.242 -3.174 10.113 675 HE ARG 91 HE ARG 91 14.642 -3.787 12.633 676 1HH1 ARG 91 2HH2 ARG 91 14.411 -4.684 9.242 677 2HH1 ARG 91 1HH2 ARG 91 14.781 -6.367 9.482 678 1HH2 ARG 91 2HH1 ARG 91 15.177 -6.004 13.007 679 2HH2 ARG 91 1HH1 ARG 91 15.272 -7.116 11.685 680 H ILE 92 H ILE 92 13.698 1.461 7.786 681 HA ILE 92 HA ILE 92 10.862 1.611 8.032 682 HB ILE 92 HB ILE 92 11.063 3.891 7.079 683 1HG1 ILE 92 2HG1 ILE 92 13.795 4.418 7.245 684 2HG1 ILE 92 3HG1 ILE 92 13.604 2.992 6.215 685 1HG2 ILE 92 1HG2 ILE 92 12.291 4.787 9.011 686 2HG2 ILE 92 2HG2 ILE 92 11.180 3.491 9.470 687 3HG2 ILE 92 3HG2 ILE 92 12.923 3.154 9.348 688 1HD1 ILE 92 1HD1 ILE 92 13.486 5.042 4.869 689 2HD1 ILE 92 2HD1 ILE 92 11.927 4.196 4.843 690 3HD1 ILE 92 3HD1 ILE 92 12.141 5.635 5.864 691 H GLU 93 H GLU 93 12.889 1.028 5.089 692 HA GLU 93 HA GLU 93 10.825 1.470 3.200 693 1HB GLU 93 2HB GLU 93 13.204 1.252 2.562 694 2HB GLU 93 3HB GLU 93 13.245 -0.405 3.160 695 1HG GLU 93 2HG GLU 93 11.440 -0.964 1.481 696 2HG GLU 93 3HG GLU 93 11.649 0.667 0.825 697 H LYS 94 H LYS 94 12.083 -1.592 4.617 698 HA LYS 94 HA LYS 94 10.101 -3.254 3.465 699 1HB LYS 94 2HB LYS 94 11.947 -3.561 5.853 700 2HB LYS 94 3HB LYS 94 10.690 -4.756 5.537 701 1HG LYS 94 2HG LYS 94 12.691 -5.557 4.556 702 2HG LYS 94 3HG LYS 94 11.535 -5.165 3.276 703 1HD LYS 94 2HD LYS 94 12.718 -3.037 2.825 704 2HD LYS 94 3HD LYS 94 13.878 -3.386 4.112 705 1HE LYS 94 2HE LYS 94 13.471 -5.176 1.676 706 2HE LYS 94 3HE LYS 94 14.620 -3.836 1.722 707 1HZ LYS 94 1HZ LYS 94 15.772 -4.797 3.485 708 2HZ LYS 94 2HZ LYS 94 14.737 -6.085 3.592 709 3HZ LYS 94 3HZ LYS 94 15.680 -5.879 2.254 710 H ARG 95 H ARG 95 9.928 -1.206 6.309 711 HA ARG 95 HA ARG 95 7.418 -2.433 7.278 712 1HB ARG 95 2HB ARG 95 9.037 0.008 8.018 713 2HB ARG 95 3HB ARG 95 7.418 -0.245 8.668 714 1HG ARG 95 2HG ARG 95 9.308 -2.594 8.771 715 2HG ARG 95 3HG ARG 95 9.649 -1.239 9.831 716 1HD ARG 95 2HD ARG 95 7.358 -1.321 10.746 717 2HD ARG 95 3HD ARG 95 6.966 -2.693 9.687 718 HE ARG 95 HE ARG 95 9.196 -3.555 11.028 719 1HH1 ARG 95 2HH2 ARG 95 6.059 -2.311 12.072 720 2HH1 ARG 95 1HH2 ARG 95 6.023 -3.185 13.568 721 1HH2 ARG 95 2HH1 ARG 95 9.163 -4.773 12.996 722 2HH2 ARG 95 1HH1 ARG 95 7.832 -4.628 14.094 723 H LEU 96 H LEU 96 8.181 0.816 5.984 724 HA LEU 96 HA LEU 96 5.654 1.810 5.596 725 1HB LEU 96 2HB LEU 96 8.159 2.320 4.087 726 2HB LEU 96 3HB LEU 96 6.648 3.193 3.803 727 HG LEU 96 HG LEU 96 7.760 2.999 6.637 728 1HD1 LEU 96 1HD1 LEU 96 8.258 5.119 4.539 729 2HD1 LEU 96 2HD1 LEU 96 8.813 5.158 6.234 730 3HD1 LEU 96 3HD1 LEU 96 9.464 3.942 5.109 731 1HD2 LEU 96 1HD2 LEU 96 6.468 5.098 6.902 732 2HD2 LEU 96 2HD2 LEU 96 5.906 4.979 5.224 733 3HD2 LEU 96 3HD2 LEU 96 5.405 3.774 6.427 734 H ASN 97 H ASN 97 7.546 -0.201 3.372 735 HA ASN 97 HA ASN 97 6.200 -0.460 1.059 736 1HB ASN 97 2HB ASN 97 8.179 -1.811 1.850 737 2HB ASN 97 3HB ASN 97 7.063 -2.837 2.758 738 1HD2 ASN 97 1HD2 ASN 97 8.359 -1.969 -0.373 739 2HD2 ASN 97 2HD2 ASN 97 7.588 -3.257 -1.274 740 H LYS 98 H LYS 98 5.070 -1.843 4.152 741 HA LYS 98 HA LYS 98 2.342 -1.784 3.285 742 1HB LYS 98 2HB LYS 98 1.894 -4.229 3.715 743 2HB LYS 98 3HB LYS 98 2.620 -3.817 2.167 744 1HG LYS 98 2HG LYS 98 4.613 -4.796 2.576 745 2HG LYS 98 3HG LYS 98 4.615 -4.438 4.296 746 1HD LYS 98 2HD LYS 98 2.551 -6.403 3.368 747 2HD LYS 98 3HD LYS 98 4.230 -6.955 3.280 748 1HE LYS 98 2HE LYS 98 2.898 -5.818 5.786 749 2HE LYS 98 3HE LYS 98 2.988 -7.538 5.403 750 1HZ LYS 98 1HZ LYS 98 5.367 -7.402 5.422 751 2HZ LYS 98 2HZ LYS 98 5.320 -5.792 5.784 752 3HZ LYS 98 3HZ LYS 98 4.742 -6.898 6.855 753 H ILE 99 H ILE 99 2.745 -0.310 5.125 754 HA ILE 99 HA ILE 99 2.668 -1.508 7.809 755 HB ILE 99 HB ILE 99 1.885 1.207 6.692 756 1HG1 ILE 99 2HG1 ILE 99 4.295 0.689 6.855 757 2HG1 ILE 99 3HG1 ILE 99 3.785 2.052 7.854 758 1HG2 ILE 99 1HG2 ILE 99 1.728 1.894 9.145 759 2HG2 ILE 99 2HG2 ILE 99 0.365 0.994 8.485 760 3HG2 ILE 99 3HG2 ILE 99 1.544 0.166 9.521 761 1HD1 ILE 99 1HD1 ILE 99 3.811 0.515 9.861 762 2HD1 ILE 99 2HD1 ILE 99 4.489 -0.757 8.817 763 3HD1 ILE 99 3HD1 ILE 99 5.378 0.747 9.081 764 H GLU 100 H GLU 100 0.128 0.107 5.918 765 HA GLU 100 HA GLU 100 -1.684 -2.204 6.323 766 1HB GLU 100 2HB GLU 100 -2.244 0.677 7.160 767 2HB GLU 100 3HB GLU 100 -3.514 -0.554 6.919 768 1HG GLU 100 2HG GLU 100 -2.372 -1.977 8.640 769 2HG GLU 100 3HG GLU 100 -1.286 -0.620 8.984 770 H GLY 101 H GLY 101 -3.125 0.707 5.203 771 1HA GLY 101 2HA GLY 101 -3.363 -0.422 2.531 772 2HA GLY 101 3HA GLY 101 -4.131 1.056 3.160 773 H VAL 102 H VAL 102 -0.814 -0.139 2.674 774 HA VAL 102 HA VAL 102 -0.075 2.366 1.220 775 HB VAL 102 HB VAL 102 1.808 0.389 2.538 776 1HG1 VAL 102 1HG1 VAL 102 2.097 3.103 1.174 777 2HG1 VAL 102 2HG1 VAL 102 3.353 2.430 2.198 778 3HG1 VAL 102 3HG1 VAL 102 2.864 1.568 0.729 779 1HG2 VAL 102 1HG2 VAL 102 2.126 2.112 4.271 780 2HG2 VAL 102 2HG2 VAL 102 0.836 3.092 3.555 781 3HG2 VAL 102 3HG2 VAL 102 0.458 1.520 4.277 782 H ALA 103 H ALA 103 0.092 2.161 -0.912 783 HA ALA 103 HA ALA 103 -0.048 -0.466 -2.199 784 1HB ALA 103 1HB ALA 103 -1.237 1.467 -3.182 785 2HB ALA 103 2HB ALA 103 0.300 2.339 -3.309 786 3HB ALA 103 3HB ALA 103 0.025 0.874 -4.273 787 H ASN 104 H ASN 104 2.264 2.284 -1.804 788 HA ASN 104 HA ASN 104 4.541 0.464 -2.237 789 1HB ASN 104 2HB ASN 104 4.088 2.833 -4.119 790 2HB ASN 104 3HB ASN 104 5.526 1.827 -4.031 791 1HD2 ASN 104 1HD2 ASN 104 2.144 1.952 -5.113 792 2HD2 ASN 104 2HD2 ASN 104 2.215 0.456 -5.999 793 H ALA 105 H ALA 105 6.543 1.468 -1.813 794 HA ALA 105 HA ALA 105 6.597 4.114 -0.647 795 1HB ALA 105 1HB ALA 105 7.045 1.811 1.277 796 2HB ALA 105 2HB ALA 105 7.229 3.539 1.621 797 3HB ALA 105 3HB ALA 105 5.625 2.883 1.257 798 HA PRO 106 HA PRO 106 10.765 2.517 -2.018 799 1HB PRO 106 2HB PRO 106 11.273 4.129 -4.156 800 2HB PRO 106 3HB PRO 106 10.317 2.623 -4.273 801 1HG PRO 106 2HG PRO 106 9.306 5.447 -4.020 802 2HG PRO 106 3HG PRO 106 8.755 4.201 -5.169 803 1HD PRO 106 2HD PRO 106 7.387 4.675 -2.834 804 2HD PRO 106 3HD PRO 106 7.563 3.032 -3.503 805 H VAL 107 H VAL 107 12.543 3.347 -1.071 806 HA VAL 107 HA VAL 107 12.467 6.081 0.051 807 HB VAL 107 HB VAL 107 14.238 3.691 0.737 808 1HG1 VAL 107 1HG1 VAL 107 15.387 5.759 1.295 809 2HG1 VAL 107 2HG1 VAL 107 13.920 6.421 2.045 810 3HG1 VAL 107 3HG1 VAL 107 14.759 5.041 2.777 811 1HG2 VAL 107 1HG2 VAL 107 11.851 4.844 2.234 812 2HG2 VAL 107 2HG2 VAL 107 11.867 3.291 1.376 813 3HG2 VAL 107 3HG2 VAL 107 12.908 3.535 2.782 814 H ASN 108 H ASN 108 14.131 7.543 -0.351 815 HA ASN 108 HA ASN 108 15.964 7.020 -2.631 816 1HB ASN 108 2HB ASN 108 15.329 9.604 -1.154 817 2HB ASN 108 3HB ASN 108 16.298 9.434 -2.612 818 1HD2 ASN 108 1HD2 ASN 108 15.038 8.480 -4.590 819 2HD2 ASN 108 2HD2 ASN 108 13.388 9.046 -4.761 820 H PHE 109 H PHE 109 18.104 6.922 -2.222 821 HA PHE 109 HA PHE 109 19.049 7.286 0.559 822 1HB PHE 109 2HB PHE 109 19.549 5.363 -1.412 823 2HB PHE 109 3HB PHE 109 20.979 6.377 -1.460 824 HD1 PHE 109 1HD PHE 109 18.910 4.180 0.612 825 HD2 PHE 109 2HD PHE 109 22.336 6.780 0.608 826 HE1 PHE 109 1HE PHE 109 19.614 3.284 2.768 827 HE2 PHE 109 2HE PHE 109 23.021 5.838 2.787 828 HZ PHE 109 HZ PHE 109 21.877 3.877 3.705 829 H ALA 110 H ALA 110 18.956 9.074 -2.379 830 HA ALA 110 HA ALA 110 21.539 10.438 -1.991 831 1HB ALA 110 1HB ALA 110 20.712 9.975 -4.263 832 2HB ALA 110 2HB ALA 110 19.250 10.938 -3.946 833 3HB ALA 110 3HB ALA 110 20.843 11.721 -3.971 834 H LEU 111 H LEU 111 18.075 11.012 -1.594 835 HA LEU 111 HA LEU 111 18.508 13.793 -0.691 836 1HB LEU 111 2HB LEU 111 15.884 12.362 -1.138 837 2HB LEU 111 3HB LEU 111 16.213 14.104 -1.147 838 HG LEU 111 HG LEU 111 16.973 12.022 -3.239 839 1HD1 LEU 111 1HD1 LEU 111 14.615 12.743 -3.219 840 2HD1 LEU 111 2HD1 LEU 111 15.127 14.439 -3.355 841 3HD1 LEU 111 3HD1 LEU 111 15.457 13.300 -4.677 842 1HD2 LEU 111 1HD2 LEU 111 18.801 13.730 -3.120 843 2HD2 LEU 111 2HD2 LEU 111 17.844 13.932 -4.590 844 3HD2 LEU 111 3HD2 LEU 111 17.593 15.025 -3.215 845 H GLU 112 H GLU 112 18.012 10.663 0.694 846 HA GLU 112 HA GLU 112 17.086 9.826 2.556 847 1HB GLU 112 2HB GLU 112 17.794 12.515 3.808 848 2HB GLU 112 3HB GLU 112 17.302 11.061 4.671 849 1HG GLU 112 2HG GLU 112 19.253 9.828 3.653 850 2HG GLU 112 3HG GLU 112 19.805 11.365 2.956 851 H THR 113 H THR 113 15.254 10.280 0.838 852 HA THR 113 HA THR 113 12.986 11.288 2.421 853 HB THR 113 HB THR 113 11.959 12.441 0.733 854 HG1 THR 113 1HG THR 113 13.020 11.092 -1.110 855 1HG2 THR 113 1HG2 THR 113 13.713 13.754 1.889 856 2HG2 THR 113 2HG2 THR 113 14.888 13.264 0.669 857 3HG2 THR 113 3HG2 THR 113 13.571 14.320 0.215 858 H VAL 114 H VAL 114 10.892 10.396 1.616 859 HA VAL 114 HA VAL 114 11.204 7.848 0.151 860 HB VAL 114 HB VAL 114 11.393 7.128 2.405 861 1HG1 VAL 114 1HG1 VAL 114 10.486 9.166 3.584 862 2HG1 VAL 114 2HG1 VAL 114 8.855 8.654 3.117 863 3HG1 VAL 114 3HG1 VAL 114 9.827 7.647 4.200 864 1HG2 VAL 114 1HG2 VAL 114 8.478 6.673 1.760 865 2HG2 VAL 114 2HG2 VAL 114 9.816 5.838 0.934 866 3HG2 VAL 114 3HG2 VAL 114 9.579 5.635 2.673 867 H THR 115 H THR 115 9.563 7.395 -1.207 868 HA THR 115 HA THR 115 7.362 9.384 -1.425 869 HB THR 115 HB THR 115 8.064 6.877 -2.980 870 HG1 THR 115 1HG THR 115 9.486 8.828 -3.052 871 1HG2 THR 115 1HG2 THR 115 5.667 7.426 -3.203 872 2HG2 THR 115 2HG2 THR 115 6.105 9.111 -3.581 873 3HG2 THR 115 3HG2 THR 115 6.549 7.798 -4.696 874 H VAL 116 H VAL 116 5.316 8.815 -0.713 875 HA VAL 116 HA VAL 116 4.871 6.158 0.575 876 HB VAL 116 HB VAL 116 5.099 7.388 2.453 877 1HG1 VAL 116 1HG1 VAL 116 4.462 9.771 2.773 878 2HG1 VAL 116 2HG1 VAL 116 5.765 9.541 1.605 879 3HG1 VAL 116 3HG1 VAL 116 4.116 9.881 1.043 880 1HG2 VAL 116 1HG2 VAL 116 2.716 6.598 2.329 881 2HG2 VAL 116 2HG2 VAL 116 2.981 7.999 3.387 882 3HG2 VAL 116 3HG2 VAL 116 2.271 8.245 1.798 883 H GLU 117 H GLU 117 3.632 5.174 -0.916 884 HA GLU 117 HA GLU 117 1.499 6.721 -2.308 885 1HB GLU 117 2HB GLU 117 3.477 5.411 -3.463 886 2HB GLU 117 3HB GLU 117 2.468 4.000 -3.117 887 1HG GLU 117 2HG GLU 117 1.632 6.458 -4.699 888 2HG GLU 117 3HG GLU 117 2.134 4.914 -5.398 889 H TYR 118 H TYR 118 -0.123 6.618 -0.773 890 HA TYR 118 HA TYR 118 -1.032 3.990 0.134 891 1HB TYR 118 2HB TYR 118 -0.729 4.273 2.399 892 2HB TYR 118 3HB TYR 118 0.803 4.895 1.786 893 HD1 TYR 118 HD1 TYR 118 0.036 7.713 1.020 894 HD2 TYR 118 HD2 TYR 118 -1.055 5.315 4.441 895 HE1 TYR 118 HE1 TYR 118 -0.292 9.740 2.320 896 HE2 TYR 118 HE2 TYR 118 -1.380 7.368 5.762 897 HH TYR 118 HH TYR 118 -0.933 10.631 4.352 898 H ASN 119 H ASN 119 -3.012 4.095 1.382 899 HA ASN 119 HA ASN 119 -4.755 5.961 -0.053 900 1HB ASN 119 2HB ASN 119 -4.944 3.344 0.307 901 2HB ASN 119 3HB ASN 119 -5.817 3.800 1.758 902 1HD2 ASN 119 1HD2 ASN 119 -7.303 6.111 0.895 903 2HD2 ASN 119 2HD2 ASN 119 -8.168 5.687 -0.551 904 HA PRO 120 HA PRO 120 -4.489 8.249 3.875 905 1HB PRO 120 2HB PRO 120 -5.515 10.652 3.143 906 2HB PRO 120 3HB PRO 120 -3.939 10.069 2.543 907 1HG PRO 120 2HG PRO 120 -6.627 9.823 1.147 908 2HG PRO 120 3HG PRO 120 -5.119 10.527 0.485 909 1HD PRO 120 2HD PRO 120 -5.790 7.949 -0.004 910 2HD PRO 120 3HD PRO 120 -4.096 8.417 0.320 911 H LYS 121 H LYS 121 -7.021 6.627 2.758 912 HA LYS 121 HA LYS 121 -9.115 7.819 4.525 913 1HB LYS 121 2HB LYS 121 -10.586 7.105 3.062 914 2HB LYS 121 3HB LYS 121 -9.270 6.799 1.964 915 1HG LYS 121 2HG LYS 121 -10.462 4.884 1.907 916 2HG LYS 121 3HG LYS 121 -9.160 4.395 2.941 917 1HD LYS 121 2HD LYS 121 -10.601 4.479 4.922 918 2HD LYS 121 3HD LYS 121 -11.764 5.505 4.098 919 1HE LYS 121 2HE LYS 121 -12.678 3.281 4.390 920 2HE LYS 121 3HE LYS 121 -12.459 3.579 2.667 921 1HZ LYS 121 1HZ LYS 121 -10.713 1.975 4.412 922 2HZ LYS 121 2HZ LYS 121 -11.727 1.406 3.263 923 3HZ LYS 121 3HZ LYS 121 -10.395 2.267 2.836 924 H GLU 122 H GLU 122 -6.963 5.058 3.970 925 HA GLU 122 HA GLU 122 -8.280 3.438 6.039 926 1HB GLU 122 2HB GLU 122 -6.549 3.039 3.685 927 2HB GLU 122 3HB GLU 122 -5.927 2.179 5.115 928 1HG GLU 122 2HG GLU 122 -8.385 1.697 3.463 929 2HG GLU 122 3HG GLU 122 -7.116 0.620 3.964 930 H ALA 123 H ALA 123 -5.212 5.159 5.405 931 HA ALA 123 HA ALA 123 -4.619 5.132 8.332 932 1HB ALA 123 1HB ALA 123 -2.231 4.748 7.839 933 2HB ALA 123 2HB ALA 123 -3.221 3.383 7.306 934 3HB ALA 123 3HB ALA 123 -2.614 4.552 6.113 935 H SER 124 H SER 124 -2.561 6.812 8.519 936 HA SER 124 HA SER 124 -2.890 9.113 6.748 937 1HB SER 124 2HB SER 124 -3.607 10.652 8.515 938 2HB SER 124 3HB SER 124 -4.812 9.376 8.309 939 HG SER 124 HG SER 124 -3.910 8.325 10.119 940 H VAL 125 H VAL 125 -1.413 10.897 7.469 941 HA VAL 125 HA VAL 125 1.201 10.286 7.886 942 HB VAL 125 HB VAL 125 0.029 12.688 9.330 943 1HG1 VAL 125 1HG1 VAL 125 2.494 12.607 7.595 944 2HG1 VAL 125 2HG1 VAL 125 2.046 13.735 8.895 945 3HG1 VAL 125 3HG1 VAL 125 2.543 12.093 9.285 946 1HG2 VAL 125 1HG2 VAL 125 0.205 13.932 7.125 947 2HG2 VAL 125 2HG2 VAL 125 0.253 12.357 6.311 948 3HG2 VAL 125 3HG2 VAL 125 -1.174 12.843 7.252 949 H SER 126 H SER 126 -1.196 10.850 10.526 950 HA SER 126 HA SER 126 0.581 10.683 12.680 951 1HB SER 126 2HB SER 126 -2.332 9.788 12.565 952 2HB SER 126 3HB SER 126 -1.426 10.281 14.012 953 HG SER 126 HG SER 126 -2.711 11.848 12.286 954 H ASP 127 H ASP 127 -1.046 8.019 10.904 955 HA ASP 127 HA ASP 127 -0.255 5.911 12.736 956 1HB ASP 127 2HB ASP 127 -2.058 5.430 11.226 957 2HB ASP 127 3HB ASP 127 -1.121 5.966 9.817 958 H LEU 128 H LEU 128 1.008 7.256 9.707 959 HA LEU 128 HA LEU 128 3.302 5.600 9.443 960 1HB LEU 128 2HB LEU 128 2.864 8.462 8.537 961 2HB LEU 128 3HB LEU 128 4.201 7.446 8.025 962 HG LEU 128 HG LEU 128 1.249 6.799 7.606 963 1HD1 LEU 128 1HD1 LEU 128 1.986 8.711 6.265 964 2HD1 LEU 128 2HD1 LEU 128 3.401 7.782 5.707 965 3HD1 LEU 128 3HD1 LEU 128 1.754 7.290 5.234 966 1HD2 LEU 128 1HD2 LEU 128 2.206 5.102 5.958 967 2HD2 LEU 128 2HD2 LEU 128 3.789 5.399 6.704 968 3HD2 LEU 128 3HD2 LEU 128 2.455 4.695 7.654 969 H LYS 129 H LYS 129 2.873 8.677 11.170 970 HA LYS 129 HA LYS 129 5.567 8.820 12.129 971 1HB LYS 129 2HB LYS 129 3.049 10.146 13.112 972 2HB LYS 129 3HB LYS 129 4.670 10.447 13.761 973 1HG LYS 129 2HG LYS 129 5.309 10.708 11.170 974 2HG LYS 129 3HG LYS 129 3.618 11.084 10.984 975 1HD LYS 129 2HD LYS 129 5.526 12.542 12.878 976 2HD LYS 129 3HD LYS 129 5.293 12.968 11.185 977 1HE LYS 129 2HE LYS 129 3.994 14.448 12.572 978 2HE LYS 129 3HE LYS 129 2.972 13.508 11.488 979 1HZ LYS 129 1HZ LYS 129 3.426 12.880 14.344 980 2HZ LYS 129 2HZ LYS 129 2.071 13.597 13.737 981 3HZ LYS 129 3HZ LYS 129 2.445 12.051 13.322 982 H GLU 130 H GLU 130 2.599 7.321 13.546 983 HA GLU 130 HA GLU 130 3.828 6.488 15.964 984 1HB GLU 130 2HB GLU 130 1.345 6.406 14.990 985 2HB GLU 130 3HB GLU 130 1.767 4.751 14.577 986 1HG GLU 130 2HG GLU 130 2.096 5.940 17.389 987 2HG GLU 130 3HG GLU 130 0.574 5.282 16.788 988 H ALA 131 H ALA 131 3.691 4.944 12.755 989 HA ALA 131 HA ALA 131 4.990 2.517 13.460 990 1HB ALA 131 1HB ALA 131 5.271 2.229 11.038 991 2HB ALA 131 2HB ALA 131 3.633 2.799 11.428 992 3HB ALA 131 3HB ALA 131 4.830 3.923 10.758 993 H VAL 132 H VAL 132 6.341 5.533 11.926 994 HA VAL 132 HA VAL 132 8.953 4.401 11.760 995 HB VAL 132 HB VAL 132 7.939 6.250 10.364 996 1HG1 VAL 132 1HG1 VAL 132 8.095 8.539 11.136 997 2HG1 VAL 132 2HG1 VAL 132 7.203 7.567 12.291 998 3HG1 VAL 132 3HG1 VAL 132 8.863 8.019 12.658 999 1HG2 VAL 132 1HG2 VAL 132 10.420 7.509 10.688 1000 2HG2 VAL 132 2HG2 VAL 132 10.709 5.900 11.349 1001 3HG2 VAL 132 3HG2 VAL 132 10.093 6.069 9.697 1002 H ASP 133 H ASP 133 7.239 6.370 14.255 1003 HA ASP 133 HA ASP 133 9.418 6.852 15.894 1004 1HB ASP 133 2HB ASP 133 6.442 6.468 16.379 1005 2HB ASP 133 3HB ASP 133 7.558 6.630 17.712 1006 H LYS 134 H LYS 134 7.241 3.976 15.705 1007 HA LYS 134 HA LYS 134 8.686 2.447 17.654 1008 1HB LYS 134 2HB LYS 134 6.851 1.635 15.384 1009 2HB LYS 134 3HB LYS 134 7.641 0.450 16.439 1010 1HG LYS 134 2HG LYS 134 6.663 1.413 18.421 1011 2HG LYS 134 3HG LYS 134 6.018 2.792 17.502 1012 1HD LYS 134 2HD LYS 134 4.519 1.408 16.275 1013 2HD LYS 134 3HD LYS 134 5.166 -0.096 16.979 1014 1HE LYS 134 2HE LYS 134 4.232 0.371 19.139 1015 2HE LYS 134 3HE LYS 134 4.166 2.109 18.799 1016 1HZ LYS 134 1HZ LYS 134 2.520 1.551 17.068 1017 2HZ LYS 134 2HZ LYS 134 2.202 0.141 17.906 1018 3HZ LYS 134 3HZ LYS 134 2.073 1.706 18.554 1019 H LEU 135 H LEU 135 9.362 2.925 14.172 1020 HA LEU 135 HA LEU 135 11.605 1.040 14.256 1021 1HB LEU 135 2HB LEU 135 10.887 3.276 12.319 1022 2HB LEU 135 3HB LEU 135 12.412 2.421 12.252 1023 HG LEU 135 HG LEU 135 11.048 1.445 10.648 1024 1HD1 LEU 135 1HD1 LEU 135 10.961 -0.602 12.875 1025 2HD1 LEU 135 2HD1 LEU 135 11.329 -0.822 11.159 1026 3HD1 LEU 135 3HD1 LEU 135 12.497 -0.009 12.205 1027 1HD2 LEU 135 1HD2 LEU 135 8.947 0.857 12.769 1028 2HD2 LEU 135 2HD2 LEU 135 8.849 2.107 11.502 1029 3HD2 LEU 135 3HD2 LEU 135 8.885 0.411 11.060 1030 H GLY 136 H GLY 136 11.159 4.166 15.632 1031 1HA GLY 136 2HA GLY 136 12.582 5.184 17.111 1032 2HA GLY 136 3HA GLY 136 13.897 4.094 16.656 1033 H TYR 137 H TYR 137 11.979 5.944 14.287 1034 HA TYR 137 HA TYR 137 14.129 7.986 14.026 1035 1HB TYR 137 2HB TYR 137 12.838 6.715 11.606 1036 2HB TYR 137 3HB TYR 137 14.208 7.809 11.653 1037 HD1 TYR 137 HD1 TYR 137 16.233 6.799 13.286 1038 HD2 TYR 137 HD2 TYR 137 13.281 4.492 11.178 1039 HE1 TYR 137 HE1 TYR 137 17.513 4.742 13.741 1040 HE2 TYR 137 HE2 TYR 137 14.686 2.457 11.435 1041 HH TYR 137 HH TYR 137 17.362 2.367 13.713 1042 H LYS 138 H LYS 138 12.923 9.538 12.020 1043 HA LYS 138 HA LYS 138 10.091 9.815 12.713 1044 1HB LYS 138 2HB LYS 138 10.443 12.291 13.058 1045 2HB LYS 138 3HB LYS 138 10.858 11.237 14.410 1046 1HG LYS 138 2HG LYS 138 13.103 11.666 12.590 1047 2HG LYS 138 3HG LYS 138 12.511 13.190 13.239 1048 1HD LYS 138 2HD LYS 138 13.093 10.816 15.054 1049 2HD LYS 138 3HD LYS 138 14.434 11.733 14.343 1050 1HE LYS 138 2HE LYS 138 13.531 13.850 15.269 1051 2HE LYS 138 3HE LYS 138 12.201 12.956 16.033 1052 1HZ LYS 138 1HZ LYS 138 14.025 13.402 17.543 1053 2HZ LYS 138 2HZ LYS 138 13.837 11.780 17.336 1054 3HZ LYS 138 3HZ LYS 138 15.074 12.571 16.587 1055 H LEU 139 H LEU 139 8.994 11.031 11.136 1056 HA LEU 139 HA LEU 139 10.387 11.260 8.505 1057 1HB LEU 139 2HB LEU 139 7.528 10.505 9.122 1058 2HB LEU 139 3HB LEU 139 8.160 10.876 7.512 1059 HG LEU 139 HG LEU 139 9.189 8.616 9.264 1060 1HD1 LEU 139 1HD1 LEU 139 7.392 8.506 6.835 1061 2HD1 LEU 139 2HD1 LEU 139 7.935 7.130 7.818 1062 3HD1 LEU 139 3HD1 LEU 139 6.824 8.329 8.515 1063 1HD2 LEU 139 1HD2 LEU 139 9.728 9.318 6.362 1064 2HD2 LEU 139 2HD2 LEU 139 10.906 9.275 7.699 1065 3HD2 LEU 139 3HD2 LEU 139 10.163 7.774 7.131 1066 H LYS 140 H LYS 140 10.051 13.124 7.437 1067 HA LYS 140 HA LYS 140 8.286 15.253 8.605 1068 1HB LYS 140 2HB LYS 140 10.990 15.270 7.295 1069 2HB LYS 140 3HB LYS 140 9.912 16.605 6.878 1070 1HG LYS 140 2HG LYS 140 10.553 15.810 9.745 1071 2HG LYS 140 3HG LYS 140 11.538 16.927 8.799 1072 1HD LYS 140 2HD LYS 140 9.344 18.266 8.405 1073 2HD LYS 140 3HD LYS 140 8.640 17.249 9.688 1074 1HE LYS 140 2HE LYS 140 10.557 17.961 11.193 1075 2HE LYS 140 3HE LYS 140 11.107 19.047 9.909 1076 1HZ LYS 140 1HZ LYS 140 8.518 19.204 11.306 1077 2HZ LYS 140 2HZ LYS 140 9.791 20.231 11.480 1078 3HZ LYS 140 3HZ LYS 140 8.968 20.177 10.057 1079 H LEU 141 H LEU 141 7.358 16.663 6.829 1080 HA LEU 141 HA LEU 141 6.465 14.986 4.522 1081 1HB LEU 141 2HB LEU 141 5.115 17.468 5.616 1082 2HB LEU 141 3HB LEU 141 4.518 16.236 4.511 1083 HG LEU 141 HG LEU 141 4.883 14.592 6.582 1084 1HD1 LEU 141 1HD1 LEU 141 4.249 15.846 8.721 1085 2HD1 LEU 141 2HD1 LEU 141 5.897 16.174 8.205 1086 3HD1 LEU 141 3HD1 LEU 141 4.625 17.355 7.874 1087 1HD2 LEU 141 1HD2 LEU 141 2.736 15.106 5.494 1088 2HD2 LEU 141 2HD2 LEU 141 2.549 15.096 7.254 1089 3HD2 LEU 141 3HD2 LEU 141 2.649 16.636 6.405 1090 H LYS 142 H LYS 142 7.071 15.732 2.410 1091 HA LYS 142 HA LYS 142 8.594 18.280 2.312 1092 1HB LYS 142 2HB LYS 142 8.065 16.027 0.415 1093 2HB LYS 142 3HB LYS 142 8.385 17.627 -0.246 1094 1HG LYS 142 2HG LYS 142 10.446 17.868 1.026 1095 2HG LYS 142 3HG LYS 142 10.232 16.267 1.739 1096 1HD LYS 142 2HD LYS 142 10.285 16.623 -1.290 1097 2HD LYS 142 3HD LYS 142 11.801 16.640 -0.361 1098 1HE LYS 142 2HE LYS 142 11.350 14.501 0.603 1099 2HE LYS 142 3HE LYS 142 9.767 14.393 -0.136 1100 1HZ LYS 142 1HZ LYS 142 12.143 14.663 -1.846 1101 2HZ LYS 142 2HZ LYS 142 11.730 13.187 -1.298 1102 3HZ LYS 142 3HZ LYS 142 10.671 14.043 -2.231 1103 H GLY 143 H GLY 143 6.874 19.595 3.088 1104 1HA GLY 143 2HA GLY 143 5.669 21.468 2.371 1105 2HA GLY 143 3HA GLY 143 5.569 20.790 0.742 1106 H GLU 144 H GLU 144 4.467 18.200 2.192 1107 HA GLU 144 HA GLU 144 1.705 18.833 1.816 1108 1HB GLU 144 2HB GLU 144 2.734 16.307 3.143 1109 2HB GLU 144 3HB GLU 144 1.265 16.576 2.209 1110 1HG GLU 144 2HG GLU 144 2.765 17.073 0.193 1111 2HG GLU 144 3HG GLU 144 4.145 16.535 1.174 1112 H GLN 145 H GLN 145 2.172 20.638 3.508 1113 HA GLN 145 HA GLN 145 0.541 20.459 5.770 1114 1HB GLN 145 2HB GLN 145 3.326 19.632 6.308 1115 2HB GLN 145 3HB GLN 145 2.876 21.081 7.213 1116 1HG GLN 145 2HG GLN 145 0.832 19.969 8.041 1117 2HG GLN 145 3HG GLN 145 1.289 18.487 7.189 1118 1HE2 GLN 145 1HE2 GLN 145 0.962 17.745 9.549 1119 2HE2 GLN 145 2HE2 GLN 145 2.395 17.804 10.568 1120 H ASP 146 H ASP 146 3.429 21.941 4.323 1121 HA ASP 146 HA ASP 146 2.544 24.633 5.212 1122 1HB ASP 146 2HB ASP 146 5.309 23.535 4.528 1123 2HB ASP 146 3HB ASP 146 4.961 25.196 5.027 1124 H SER 147 H SER 147 2.811 22.776 2.481 1125 HA SER 147 HA SER 147 2.390 25.083 0.677 1126 1HB SER 147 2HB SER 147 4.853 24.644 0.675 1127 2HB SER 147 3HB SER 147 4.528 22.958 0.211 1128 HG SER 147 HG SER 147 3.439 23.824 -1.641 1129 H ILE 148 H ILE 148 0.744 22.910 1.846 1130 HA ILE 148 HA ILE 148 0.134 20.852 0.057 1131 HB ILE 148 HB ILE 148 -1.800 22.520 1.724 1132 1HG1 ILE 148 2HG1 ILE 148 -0.478 19.831 2.305 1133 2HG1 ILE 148 3HG1 ILE 148 0.027 21.383 2.993 1134 1HG2 ILE 148 1HG2 ILE 148 -2.205 19.751 0.498 1135 2HG2 ILE 148 2HG2 ILE 148 -3.367 20.625 1.520 1136 3HG2 ILE 148 3HG2 ILE 148 -2.995 21.231 -0.072 1137 1HD1 ILE 148 1HD1 ILE 148 -2.184 21.653 4.066 1138 2HD1 ILE 148 2HD1 ILE 148 -2.660 20.039 3.478 1139 3HD1 ILE 148 3HD1 ILE 148 -1.327 20.198 4.607 1140 H GLU 149 H GLU 149 -1.323 24.165 0.060 1141 HA GLU 149 HA GLU 149 -1.473 24.293 -2.785 1142 1HB GLU 149 2HB GLU 149 -3.536 22.805 -1.815 1143 2HB GLU 149 3HB GLU 149 -4.223 24.401 -1.523 1144 1HG GLU 149 2HG GLU 149 -4.001 24.898 -3.961 1145 2HG GLU 149 3HG GLU 149 -3.136 23.364 -4.188 1146 H GLY 150 H GLY 150 -2.923 26.422 -3.210 1147 1HA GLY 150 2HA GLY 150 -1.601 28.455 -1.510 1148 2HA GLY 150 3HA GLY 150 -2.298 28.681 -3.113 1149 H ARG 151 H ARG 151 -4.729 28.660 -3.313 1150 HA ARG 151 HA ARG 151 -6.563 29.148 -1.266 1151 1HB ARG 151 2HB ARG 151 -4.707 31.365 -2.031 1152 2HB ARG 151 3HB ARG 151 -6.399 31.751 -2.324 1153 1HG ARG 151 2HG ARG 151 -7.029 31.565 -0.099 1154 2HG ARG 151 3HG ARG 151 -5.593 30.635 0.374 1155 1HD ARG 151 2HD ARG 151 -4.136 32.476 0.091 1156 2HD ARG 151 3HD ARG 151 -5.389 33.460 -0.716 1157 HE ARG 151 HE ARG 151 -6.413 32.835 1.806 1158 1HH1 ARG 151 2HH2 ARG 151 -3.620 34.549 0.542 1159 2HH1 ARG 151 1HH2 ARG 151 -3.567 35.764 1.782 1160 1HH2 ARG 151 2HH1 ARG 151 -6.435 34.465 3.467 1161 2HH2 ARG 151 1HH1 ARG 151 -5.225 35.705 3.494 Start of MODEL 29 1 1H MET 1 H1 MET 1 8.921 -21.462 3.100 2 2H MET 1 H2 MET 1 8.720 -20.401 1.847 3 3H MET 1 H3 MET 1 8.241 -19.987 3.370 4 HA MET 1 HA MET 1 6.333 -20.563 2.081 5 1HB MET 1 2HB MET 1 8.002 -23.053 1.578 6 2HB MET 1 3HB MET 1 6.240 -23.153 1.553 7 1HG MET 1 2HG MET 1 7.801 -21.222 -0.187 8 2HG MET 1 3HG MET 1 7.212 -22.811 -0.690 9 1HE MET 1 1HE MET 1 6.013 -21.637 -2.769 10 2HE MET 1 2HE MET 1 4.837 -20.315 -2.591 11 3HE MET 1 3HE MET 1 6.548 -20.032 -2.201 12 H LEU 2 H LEU 2 5.468 -20.090 4.131 13 HA LEU 2 HA LEU 2 4.463 -22.377 5.488 14 1HB LEU 2 2HB LEU 2 6.941 -21.797 6.433 15 2HB LEU 2 3HB LEU 2 6.040 -20.705 7.456 16 HG LEU 2 HG LEU 2 5.268 -23.650 7.127 17 1HD1 LEU 2 1HD1 LEU 2 7.311 -22.514 9.066 18 2HD1 LEU 2 2HD1 LEU 2 6.648 -24.163 9.096 19 3HD1 LEU 2 3HD1 LEU 2 7.625 -23.632 7.720 20 1HD2 LEU 2 1HD2 LEU 2 4.355 -23.362 9.408 21 2HD2 LEU 2 2HD2 LEU 2 4.882 -21.667 9.418 22 3HD2 LEU 2 3HD2 LEU 2 3.618 -22.205 8.290 23 H SER 3 H SER 3 3.164 -20.662 4.082 24 HA SER 3 HA SER 3 1.491 -19.186 3.962 25 1HB SER 3 2HB SER 3 1.083 -19.699 6.920 26 2HB SER 3 3HB SER 3 -0.107 -19.119 5.742 27 HG SER 3 HG SER 3 1.242 -21.628 5.665 28 H GLU 4 H GLU 4 3.652 -17.704 3.827 29 HA GLU 4 HA GLU 4 3.638 -15.652 5.993 30 1HB GLU 4 2HB GLU 4 5.772 -16.891 5.320 31 2HB GLU 4 3HB GLU 4 5.712 -15.968 3.804 32 1HG GLU 4 2HG GLU 4 5.772 -13.856 5.140 33 2HG GLU 4 3HG GLU 4 5.805 -14.807 6.634 34 H GLN 5 H GLN 5 1.399 -15.528 4.613 35 HA GLN 5 HA GLN 5 1.604 -13.836 2.235 36 1HB GLN 5 2HB GLN 5 -0.717 -14.651 4.038 37 2HB GLN 5 3HB GLN 5 -0.879 -13.545 2.667 38 1HG GLN 5 2HG GLN 5 -1.503 -15.612 1.931 39 2HG GLN 5 3HG GLN 5 0.044 -15.275 1.129 40 1HE2 GLN 5 1HE2 GLN 5 1.726 -16.948 1.302 41 2HE2 GLN 5 2HE2 GLN 5 1.293 -18.371 2.201 42 H LYS 6 H LYS 6 0.346 -11.715 2.255 43 HA LYS 6 HA LYS 6 0.219 -10.417 4.874 44 1HB LYS 6 2HB LYS 6 1.337 -8.402 4.257 45 2HB LYS 6 3HB LYS 6 2.420 -9.789 4.193 46 1HG LYS 6 2HG LYS 6 3.048 -8.749 2.291 47 2HG LYS 6 3HG LYS 6 1.852 -9.846 1.613 48 1HD LYS 6 2HD LYS 6 0.239 -8.097 1.317 49 2HD LYS 6 3HD LYS 6 1.044 -7.034 2.485 50 1HE LYS 6 2HE LYS 6 3.007 -6.878 0.973 51 2HE LYS 6 3HE LYS 6 2.178 -7.901 -0.202 52 1HZ LYS 6 1HZ LYS 6 1.055 -5.328 0.728 53 2HZ LYS 6 2HZ LYS 6 2.042 -5.438 -0.580 54 3HZ LYS 6 3HZ LYS 6 0.613 -6.230 -0.588 55 H GLU 7 H GLU 7 -1.306 -8.842 4.993 56 HA GLU 7 HA GLU 7 -3.362 -8.855 2.897 57 1HB GLU 7 2HB GLU 7 -4.590 -7.420 4.526 58 2HB GLU 7 3HB GLU 7 -4.233 -9.041 5.113 59 1HG GLU 7 2HG GLU 7 -2.480 -6.685 5.888 60 2HG GLU 7 3HG GLU 7 -3.962 -7.107 6.747 61 H ILE 8 H ILE 8 -3.906 -7.082 1.694 62 HA ILE 8 HA ILE 8 -2.715 -4.458 2.443 63 HB ILE 8 HB ILE 8 -1.508 -4.956 0.516 64 1HG1 ILE 8 2HG1 ILE 8 -2.770 -2.727 0.514 65 2HG1 ILE 8 3HG1 ILE 8 -1.955 -3.294 -0.945 66 1HG2 ILE 8 1HG2 ILE 8 -2.547 -5.704 -1.629 67 2HG2 ILE 8 2HG2 ILE 8 -2.528 -6.905 -0.317 68 3HG2 ILE 8 3HG2 ILE 8 -4.035 -6.068 -0.735 69 1HD1 ILE 8 1HD1 ILE 8 -4.170 -4.080 -1.877 70 2HD1 ILE 8 2HD1 ILE 8 -4.971 -3.314 -0.491 71 3HD1 ILE 8 3HD1 ILE 8 -4.034 -2.359 -1.639 72 H ALA 9 H ALA 9 -4.311 -2.950 2.753 73 HA ALA 9 HA ALA 9 -7.082 -3.604 1.827 74 1HB ALA 9 1HB ALA 9 -6.252 -2.458 4.515 75 2HB ALA 9 2HB ALA 9 -7.918 -2.619 3.914 76 3HB ALA 9 3HB ALA 9 -6.946 -4.073 4.220 77 H MET 10 H MET 10 -7.839 -2.028 0.500 78 HA MET 10 HA MET 10 -6.984 0.784 0.923 79 1HB MET 10 2HB MET 10 -6.503 -0.861 -1.600 80 2HB MET 10 3HB MET 10 -6.633 0.892 -1.641 81 1HG MET 10 2HG MET 10 -4.700 1.051 -0.026 82 2HG MET 10 3HG MET 10 -4.518 -0.688 -0.163 83 1HE MET 10 1HE MET 10 -2.187 -0.640 -0.945 84 2HE MET 10 2HE MET 10 -1.601 0.207 -2.383 85 3HE MET 10 3HE MET 10 -2.057 1.148 -0.941 86 H GLN 11 H GLN 11 -8.187 2.253 -0.393 87 HA GLN 11 HA GLN 11 -10.962 1.378 -0.825 88 1HB GLN 11 2HB GLN 11 -9.929 3.457 0.615 89 2HB GLN 11 3HB GLN 11 -10.266 4.283 -0.912 90 1HG GLN 11 2HG GLN 11 -12.620 3.453 -0.789 91 2HG GLN 11 3HG GLN 11 -12.225 2.552 0.685 92 1HE2 GLN 11 1HE2 GLN 11 -13.374 5.556 -0.472 93 2HE2 GLN 11 2HE2 GLN 11 -13.254 6.398 1.072 94 H VAL 12 H VAL 12 -11.693 1.090 -2.842 95 HA VAL 12 HA VAL 12 -10.137 2.078 -5.166 96 HB VAL 12 HB VAL 12 -10.034 -0.337 -4.861 97 1HG1 VAL 12 1HG1 VAL 12 -12.057 -1.760 -5.050 98 2HG1 VAL 12 2HG1 VAL 12 -12.122 -0.768 -3.589 99 3HG1 VAL 12 3HG1 VAL 12 -13.084 -0.318 -5.009 100 1HG2 VAL 12 1HG2 VAL 12 -10.165 0.617 -7.156 101 2HG2 VAL 12 2HG2 VAL 12 -10.768 -1.049 -7.031 102 3HG2 VAL 12 3HG2 VAL 12 -11.917 0.292 -7.150 103 H SER 13 H SER 13 -11.386 2.735 -7.018 104 HA SER 13 HA SER 13 -14.150 3.658 -6.349 105 1HB SER 13 2HB SER 13 -12.776 5.100 -8.493 106 2HB SER 13 3HB SER 13 -13.678 5.685 -7.095 107 HG SER 13 HG SER 13 -10.965 4.759 -7.121 108 H GLY 14 H GLY 14 -15.537 3.964 -8.189 109 1HA GLY 14 2HA GLY 14 -16.321 3.501 -10.350 110 2HA GLY 14 3HA GLY 14 -15.003 2.356 -10.632 111 H MET 15 H MET 15 -16.180 1.832 -7.485 112 HA MET 15 HA MET 15 -17.366 -0.672 -8.237 113 1HB MET 15 2HB MET 15 -17.114 0.877 -5.638 114 2HB MET 15 3HB MET 15 -18.170 -0.533 -5.771 115 1HG MET 15 2HG MET 15 -16.251 -1.874 -6.638 116 2HG MET 15 3HG MET 15 -15.185 -0.490 -6.377 117 1HE MET 15 1HE MET 15 -17.937 -2.604 -4.699 118 2HE MET 15 2HE MET 15 -17.303 -2.852 -3.065 119 3HE MET 15 3HE MET 15 -17.996 -1.278 -3.523 120 H THR 16 H THR 16 -19.437 -1.278 -8.355 121 HA THR 16 HA THR 16 -21.590 0.751 -7.987 122 HB THR 16 HB THR 16 -21.661 -1.543 -9.980 123 HG1 THR 16 1HG THR 16 -20.568 1.057 -10.194 124 1HG2 THR 16 1HG2 THR 16 -23.852 -0.502 -9.559 125 2HG2 THR 16 2HG2 THR 16 -23.159 1.116 -9.815 126 3HG2 THR 16 3HG2 THR 16 -23.258 -0.041 -11.159 127 H CYS 17 H CYS 17 -20.286 -2.063 -6.755 128 HA CYS 17 HA CYS 17 -20.906 -3.023 -4.780 129 1HB CYS 17 2HB CYS 17 -22.279 -1.230 -3.983 130 2HB CYS 17 3HB CYS 17 -23.651 -1.715 -5.010 131 HG CYS 17 HG CYS 17 -24.171 -2.411 -2.616 132 H ALA 18 H ALA 18 -20.913 -5.120 -4.934 133 HA ALA 18 HA ALA 18 -21.046 -7.155 -5.861 134 1HB ALA 18 1HB ALA 18 -23.895 -6.532 -6.761 135 2HB ALA 18 2HB ALA 18 -23.125 -8.118 -6.626 136 3HB ALA 18 3HB ALA 18 -23.449 -7.171 -5.165 137 H ALA 19 H ALA 19 -21.414 -8.195 -8.167 138 HA ALA 19 HA ALA 19 -20.729 -8.294 -10.290 139 1HB ALA 19 1HB ALA 19 -22.794 -7.061 -10.693 140 2HB ALA 19 2HB ALA 19 -21.933 -5.513 -10.567 141 3HB ALA 19 3HB ALA 19 -21.541 -6.644 -11.875 142 H CYS 20 H CYS 20 -19.951 -4.814 -9.540 143 HA CYS 20 HA CYS 20 -17.654 -4.703 -11.201 144 1HB CYS 20 2HB CYS 20 -18.836 -3.112 -8.885 145 2HB CYS 20 3HB CYS 20 -17.252 -2.677 -9.509 146 HG CYS 20 HG CYS 20 -18.998 -1.066 -10.610 147 H ALA 21 H ALA 21 -17.914 -4.678 -7.650 148 HA ALA 21 HA ALA 21 -15.205 -5.212 -7.121 149 1HB ALA 21 1HB ALA 21 -15.875 -5.508 -4.893 150 2HB ALA 21 2HB ALA 21 -16.987 -4.335 -5.569 151 3HB ALA 21 3HB ALA 21 -17.530 -6.011 -5.326 152 H ALA 22 H ALA 22 -17.991 -7.462 -7.336 153 HA ALA 22 HA ALA 22 -16.660 -9.850 -6.720 154 1HB ALA 22 1HB ALA 22 -18.918 -9.433 -8.730 155 2HB ALA 22 2HB ALA 22 -18.461 -10.970 -7.970 156 3HB ALA 22 3HB ALA 22 -19.112 -9.653 -6.976 157 H ARG 23 H ARG 23 -16.822 -8.144 -9.911 158 HA ARG 23 HA ARG 23 -15.470 -10.204 -11.345 159 1HB ARG 23 2HB ARG 23 -16.223 -7.323 -11.801 160 2HB ARG 23 3HB ARG 23 -14.831 -7.888 -12.697 161 1HG ARG 23 2HG ARG 23 -17.569 -9.223 -12.732 162 2HG ARG 23 3HG ARG 23 -16.888 -8.139 -13.959 163 1HD ARG 23 2HD ARG 23 -14.844 -9.918 -13.730 164 2HD ARG 23 3HD ARG 23 -16.190 -11.003 -13.348 165 HE ARG 23 HE ARG 23 -17.035 -9.634 -15.608 166 1HH1 ARG 23 2HH2 ARG 23 -14.266 -11.663 -14.834 167 2HH1 ARG 23 1HH2 ARG 23 -13.990 -12.204 -16.463 168 1HH2 ARG 23 2HH1 ARG 23 -16.682 -10.289 -17.798 169 2HH2 ARG 23 1HH1 ARG 23 -15.414 -11.401 -18.188 170 H ILE 24 H ILE 24 -14.320 -7.288 -9.576 171 HA ILE 24 HA ILE 24 -11.588 -7.606 -10.284 172 HB ILE 24 HB ILE 24 -12.771 -6.411 -7.754 173 1HG1 ILE 24 2HG1 ILE 24 -11.902 -5.000 -10.343 174 2HG1 ILE 24 3HG1 ILE 24 -13.578 -5.407 -10.031 175 1HG2 ILE 24 1HG2 ILE 24 -10.459 -6.873 -7.498 176 2HG2 ILE 24 2HG2 ILE 24 -10.092 -6.024 -9.032 177 3HG2 ILE 24 3HG2 ILE 24 -10.739 -5.137 -7.624 178 1HD1 ILE 24 1HD1 ILE 24 -11.894 -3.365 -8.631 179 2HD1 ILE 24 2HD1 ILE 24 -13.522 -3.235 -9.332 180 3HD1 ILE 24 3HD1 ILE 24 -13.306 -4.083 -7.805 181 H GLU 25 H GLU 25 -13.306 -8.617 -7.222 182 HA GLU 25 HA GLU 25 -11.098 -9.979 -6.222 183 1HB GLU 25 2HB GLU 25 -14.049 -10.603 -5.732 184 2HB GLU 25 3HB GLU 25 -12.679 -11.042 -4.694 185 1HG GLU 25 2HG GLU 25 -13.737 -8.239 -5.242 186 2HG GLU 25 3HG GLU 25 -13.667 -9.106 -3.723 187 H LYS 26 H LYS 26 -13.734 -11.337 -8.295 188 HA LYS 26 HA LYS 26 -12.749 -13.972 -8.300 189 1HB LYS 26 2HB LYS 26 -14.978 -13.145 -9.210 190 2HB LYS 26 3HB LYS 26 -14.086 -12.608 -10.648 191 1HG LYS 26 2HG LYS 26 -13.113 -15.119 -10.407 192 2HG LYS 26 3HG LYS 26 -14.630 -15.382 -9.572 193 1HD LYS 26 2HD LYS 26 -14.370 -14.135 -12.361 194 2HD LYS 26 3HD LYS 26 -14.468 -15.875 -12.145 195 1HE LYS 26 2HE LYS 26 -16.623 -13.957 -11.126 196 2HE LYS 26 3HE LYS 26 -16.643 -14.675 -12.745 197 1HZ LYS 26 1HZ LYS 26 -16.691 -16.204 -10.231 198 2HZ LYS 26 2HZ LYS 26 -17.957 -15.960 -11.248 199 3HZ LYS 26 3HZ LYS 26 -16.672 -16.851 -11.744 200 H GLY 27 H GLY 27 -11.929 -11.158 -10.392 201 1HA GLY 27 2HA GLY 27 -10.190 -12.500 -12.201 202 2HA GLY 27 3HA GLY 27 -10.185 -10.771 -11.801 203 H LEU 28 H LEU 28 -9.529 -10.706 -9.148 204 HA LEU 28 HA LEU 28 -6.703 -11.197 -9.252 205 1HB LEU 28 2HB LEU 28 -8.647 -10.214 -7.117 206 2HB LEU 28 3HB LEU 28 -6.972 -10.554 -6.705 207 HG LEU 28 HG LEU 28 -7.363 -8.143 -7.167 208 1HD1 LEU 28 1HD1 LEU 28 -5.521 -9.321 -9.285 209 2HD1 LEU 28 2HD1 LEU 28 -5.393 -7.784 -8.415 210 3HD1 LEU 28 3HD1 LEU 28 -5.132 -9.312 -7.554 211 1HD2 LEU 28 1HD2 LEU 28 -8.006 -8.889 -10.014 212 2HD2 LEU 28 2HD2 LEU 28 -9.048 -8.153 -8.786 213 3HD2 LEU 28 3HD2 LEU 28 -7.667 -7.266 -9.373 214 H LYS 29 H LYS 29 -9.404 -12.979 -7.797 215 HA LYS 29 HA LYS 29 -7.926 -14.912 -6.438 216 1HB LYS 29 2HB LYS 29 -10.608 -14.547 -6.810 217 2HB LYS 29 3HB LYS 29 -10.320 -15.924 -7.856 218 1HG LYS 29 2HG LYS 29 -10.761 -16.985 -5.842 219 2HG LYS 29 3HG LYS 29 -9.010 -16.877 -5.766 220 1HD LYS 29 2HD LYS 29 -9.681 -16.159 -3.634 221 2HD LYS 29 3HD LYS 29 -9.406 -14.623 -4.468 222 1HE LYS 29 2HE LYS 29 -11.893 -14.466 -4.907 223 2HE LYS 29 3HE LYS 29 -12.102 -16.042 -4.125 224 1HZ LYS 29 1HZ LYS 29 -12.663 -14.471 -2.546 225 2HZ LYS 29 2HZ LYS 29 -11.184 -14.926 -2.056 226 3HZ LYS 29 3HZ LYS 29 -11.410 -13.491 -2.808 227 H ARG 30 H ARG 30 -8.010 -14.339 -9.870 228 HA ARG 30 HA ARG 30 -7.373 -17.018 -10.723 229 1HB ARG 30 2HB ARG 30 -8.293 -14.876 -12.015 230 2HB ARG 30 3HB ARG 30 -6.580 -14.519 -12.208 231 1HG ARG 30 2HG ARG 30 -6.913 -15.765 -14.116 232 2HG ARG 30 3HG ARG 30 -6.577 -17.120 -13.031 233 1HD ARG 30 2HD ARG 30 -9.056 -17.286 -12.568 234 2HD ARG 30 3HD ARG 30 -9.364 -16.036 -13.765 235 HE ARG 30 HE ARG 30 -8.820 -18.845 -14.182 236 1HH1 ARG 30 2HH2 ARG 30 -8.338 -15.714 -15.701 237 2HH1 ARG 30 1HH2 ARG 30 -8.441 -16.292 -17.337 238 1HH2 ARG 30 2HH1 ARG 30 -9.018 -19.666 -16.336 239 2HH2 ARG 30 1HH1 ARG 30 -8.835 -18.610 -17.696 240 H MET 31 H MET 31 -5.474 -14.444 -9.214 241 HA MET 31 HA MET 31 -2.985 -15.108 -10.582 242 1HB MET 31 2HB MET 31 -3.576 -13.432 -8.123 243 2HB MET 31 3HB MET 31 -1.998 -13.513 -8.899 244 1HG MET 31 2HG MET 31 -4.259 -12.786 -10.724 245 2HG MET 31 3HG MET 31 -3.930 -11.656 -9.423 246 1HE MET 31 1HE MET 31 -0.834 -12.657 -12.711 247 2HE MET 31 2HE MET 31 -1.192 -13.799 -11.411 248 3HE MET 31 3HE MET 31 -2.446 -13.410 -12.612 249 HA PRO 32 HA PRO 32 -2.046 -18.623 -8.258 250 1HB PRO 32 2HB PRO 32 0.681 -18.836 -8.283 251 2HB PRO 32 3HB PRO 32 -0.336 -19.019 -9.740 252 1HG PRO 32 2HG PRO 32 1.134 -16.542 -8.813 253 2HG PRO 32 3HG PRO 32 1.135 -17.265 -10.445 254 1HD PRO 32 2HD PRO 32 -0.492 -15.185 -9.790 255 2HD PRO 32 3HD PRO 32 -1.070 -16.486 -10.885 256 H GLY 33 H GLY 33 -0.196 -15.717 -7.080 257 1HA GLY 33 2HA GLY 33 0.436 -16.972 -4.548 258 2HA GLY 33 3HA GLY 33 0.634 -15.275 -5.005 259 H VAL 34 H VAL 34 -2.553 -15.809 -5.794 260 HA VAL 34 HA VAL 34 -3.366 -14.218 -3.544 261 HB VAL 34 HB VAL 34 -4.332 -14.257 -5.927 262 1HG1 VAL 34 1HG1 VAL 34 -4.832 -16.854 -5.668 263 2HG1 VAL 34 2HG1 VAL 34 -6.296 -16.293 -4.849 264 3HG1 VAL 34 3HG1 VAL 34 -5.934 -15.789 -6.518 265 1HG2 VAL 34 1HG2 VAL 34 -6.531 -13.516 -5.123 266 2HG2 VAL 34 2HG2 VAL 34 -6.213 -14.235 -3.530 267 3HG2 VAL 34 3HG2 VAL 34 -5.232 -12.873 -4.110 268 H THR 35 H THR 35 -4.181 -14.738 -1.644 269 HA THR 35 HA THR 35 -4.550 -17.646 -1.059 270 HB THR 35 HB THR 35 -3.994 -15.376 0.817 271 HG1 THR 35 1HG THR 35 -2.385 -16.722 -0.956 272 1HG2 THR 35 1HG2 THR 35 -3.692 -18.415 1.078 273 2HG2 THR 35 2HG2 THR 35 -3.229 -17.237 2.319 274 3HG2 THR 35 3HG2 THR 35 -4.936 -17.424 1.872 275 H ASP 36 H ASP 36 -5.771 -14.283 -0.436 276 HA ASP 36 HA ASP 36 -8.295 -15.260 -1.263 277 1HB ASP 36 2HB ASP 36 -8.310 -15.746 1.264 278 2HB ASP 36 3HB ASP 36 -8.291 -14.000 1.510 279 H ALA 37 H ALA 37 -9.882 -13.390 -1.231 280 HA ALA 37 HA ALA 37 -8.735 -10.730 -1.691 281 1HB ALA 37 1HB ALA 37 -8.212 -12.014 -3.816 282 2HB ALA 37 2HB ALA 37 -9.954 -12.276 -4.037 283 3HB ALA 37 3HB ALA 37 -9.287 -10.638 -4.069 284 H ASN 38 H ASN 38 -10.228 -9.521 -0.637 285 HA ASN 38 HA ASN 38 -13.098 -10.205 -0.978 286 1HB ASN 38 2HB ASN 38 -12.163 -9.200 1.680 287 2HB ASN 38 3HB ASN 38 -13.624 -10.087 1.284 288 1HD2 ASN 38 1HD2 ASN 38 -12.683 -12.436 0.156 289 2HD2 ASN 38 2HD2 ASN 38 -11.728 -13.286 1.371 290 H VAL 39 H VAL 39 -14.440 -8.371 -0.094 291 HA VAL 39 HA VAL 39 -13.242 -5.713 -0.238 292 HB VAL 39 HB VAL 39 -13.419 -6.299 -2.577 293 1HG1 VAL 39 1HG1 VAL 39 -16.426 -6.581 -2.429 294 2HG1 VAL 39 2HG1 VAL 39 -15.282 -7.119 -3.680 295 3HG1 VAL 39 3HG1 VAL 39 -15.397 -7.999 -2.179 296 1HG2 VAL 39 1HG2 VAL 39 -13.916 -3.973 -1.795 297 2HG2 VAL 39 2HG2 VAL 39 -14.664 -4.388 -3.338 298 3HG2 VAL 39 3HG2 VAL 39 -15.646 -4.355 -1.856 299 H ASN 40 H ASN 40 -14.020 -4.765 1.393 300 HA ASN 40 HA ASN 40 -16.735 -5.377 2.468 301 1HB ASN 40 2HB ASN 40 -14.377 -3.666 3.317 302 2HB ASN 40 3HB ASN 40 -16.011 -3.249 3.860 303 1HD2 ASN 40 1HD2 ASN 40 -14.856 -3.538 5.952 304 2HD2 ASN 40 2HD2 ASN 40 -15.061 -5.129 6.659 305 H LEU 41 H LEU 41 -17.571 -4.944 0.317 306 HA LEU 41 HA LEU 41 -17.582 -2.421 -0.895 307 1HB LEU 41 2HB LEU 41 -19.545 -3.129 -2.081 308 2HB LEU 41 3HB LEU 41 -18.447 -4.490 -1.888 309 HG LEU 41 HG LEU 41 -19.949 -5.215 0.034 310 1HD1 LEU 41 1HD1 LEU 41 -21.411 -3.434 0.594 311 2HD1 LEU 41 2HD1 LEU 41 -21.577 -2.924 -1.096 312 3HD1 LEU 41 3HD1 LEU 41 -22.419 -4.367 -0.497 313 1HD2 LEU 41 1HD2 LEU 41 -19.901 -6.291 -2.183 314 2HD2 LEU 41 2HD2 LEU 41 -21.555 -6.256 -1.555 315 3HD2 LEU 41 3HD2 LEU 41 -21.054 -5.087 -2.796 316 H ALA 42 H ALA 42 -19.069 -3.342 2.051 317 HA ALA 42 HA ALA 42 -21.006 -1.311 2.335 318 1HB ALA 42 1HB ALA 42 -20.731 -1.723 4.765 319 2HB ALA 42 2HB ALA 42 -20.796 -3.250 3.862 320 3HB ALA 42 3HB ALA 42 -19.236 -2.629 4.450 321 H THR 43 H THR 43 -17.448 -1.241 2.673 322 HA THR 43 HA THR 43 -17.590 1.716 3.116 323 HB THR 43 HB THR 43 -15.274 1.250 4.227 324 HG1 THR 43 1HG THR 43 -16.551 -1.254 4.616 325 1HG2 THR 43 1HG2 THR 43 -17.286 2.021 5.462 326 2HG2 THR 43 2HG2 THR 43 -17.866 0.350 5.588 327 3HG2 THR 43 3HG2 THR 43 -16.365 0.835 6.407 328 H GLU 44 H GLU 44 -17.246 -0.361 0.709 329 HA GLU 44 HA GLU 44 -16.023 -0.583 -1.181 330 1HB GLU 44 2HB GLU 44 -15.578 2.407 -0.808 331 2HB GLU 44 3HB GLU 44 -15.262 1.500 -2.291 332 1HG GLU 44 2HG GLU 44 -17.640 0.866 -2.448 333 2HG GLU 44 3HG GLU 44 -17.996 1.791 -0.979 334 H THR 45 H THR 45 -14.640 -1.436 1.103 335 HA THR 45 HA THR 45 -11.829 -0.457 0.704 336 HB THR 45 HB THR 45 -13.209 -1.804 3.037 337 HG1 THR 45 1HG THR 45 -11.679 0.421 3.446 338 1HG2 THR 45 1HG2 THR 45 -10.960 -1.669 4.147 339 2HG2 THR 45 2HG2 THR 45 -11.032 -2.870 2.851 340 3HG2 THR 45 3HG2 THR 45 -10.247 -1.303 2.559 341 H VAL 46 H VAL 46 -10.860 -1.748 -0.799 342 HA VAL 46 HA VAL 46 -11.671 -4.577 -1.108 343 HB VAL 46 HB VAL 46 -11.457 -3.422 -3.173 344 1HG1 VAL 46 1HG1 VAL 46 -10.002 -1.526 -2.671 345 2HG1 VAL 46 2HG1 VAL 46 -8.623 -2.608 -2.371 346 3HG1 VAL 46 3HG1 VAL 46 -9.315 -2.474 -3.991 347 1HG2 VAL 46 1HG2 VAL 46 -9.866 -4.843 -4.293 348 2HG2 VAL 46 2HG2 VAL 46 -8.953 -5.092 -2.792 349 3HG2 VAL 46 3HG2 VAL 46 -10.592 -5.763 -2.961 350 H ASN 47 H ASN 47 -10.510 -6.169 -0.104 351 HA ASN 47 HA ASN 47 -7.894 -5.443 1.034 352 1HB ASN 47 2HB ASN 47 -8.376 -6.509 3.089 353 2HB ASN 47 3HB ASN 47 -9.596 -5.269 2.802 354 1HD2 ASN 47 1HD2 ASN 47 -9.007 -8.673 3.323 355 2HD2 ASN 47 2HD2 ASN 47 -10.661 -9.210 3.216 356 H VAL 48 H VAL 48 -6.382 -6.774 0.261 357 HA VAL 48 HA VAL 48 -7.243 -9.442 -0.794 358 HB VAL 48 HB VAL 48 -5.028 -7.840 -2.059 359 1HG1 VAL 48 1HG1 VAL 48 -5.456 -10.322 -2.555 360 2HG1 VAL 48 2HG1 VAL 48 -7.010 -9.829 -3.236 361 3HG1 VAL 48 3HG1 VAL 48 -5.505 -9.246 -3.968 362 1HG2 VAL 48 1HG2 VAL 48 -7.994 -7.589 -2.717 363 2HG2 VAL 48 2HG2 VAL 48 -6.891 -6.283 -2.217 364 3HG2 VAL 48 3HG2 VAL 48 -6.676 -7.066 -3.784 365 H ILE 49 H ILE 49 -6.022 -11.157 -0.214 366 HA ILE 49 HA ILE 49 -3.548 -10.640 1.364 367 HB ILE 49 HB ILE 49 -5.659 -12.794 1.771 368 1HG1 ILE 49 2HG1 ILE 49 -4.740 -10.838 3.878 369 2HG1 ILE 49 3HG1 ILE 49 -5.942 -10.299 2.704 370 1HG2 ILE 49 1HG2 ILE 49 -4.226 -13.525 3.698 371 2HG2 ILE 49 2HG2 ILE 49 -3.358 -13.718 2.182 372 3HG2 ILE 49 3HG2 ILE 49 -2.998 -12.342 3.224 373 1HD1 ILE 49 1HD1 ILE 49 -7.448 -12.123 3.305 374 2HD1 ILE 49 2HD1 ILE 49 -6.274 -12.731 4.495 375 3HD1 ILE 49 3HD1 ILE 49 -7.024 -11.139 4.719 376 H TYR 50 H TYR 50 -1.782 -11.492 0.319 377 HA TYR 50 HA TYR 50 -2.039 -13.973 -1.232 378 1HB TYR 50 2HB TYR 50 -1.009 -12.872 -3.274 379 2HB TYR 50 3HB TYR 50 -2.652 -12.338 -2.929 380 HD1 TYR 50 HD1 TYR 50 -3.225 -10.145 -2.522 381 HD2 TYR 50 HD2 TYR 50 0.929 -11.271 -2.619 382 HE1 TYR 50 HE1 TYR 50 -2.594 -7.799 -2.389 383 HE2 TYR 50 HE2 TYR 50 1.576 -8.904 -2.299 384 HH TYR 50 HH TYR 50 -0.750 -6.271 -2.369 385 H ASP 51 H ASP 51 0.168 -14.525 -2.155 386 HA ASP 51 HA ASP 51 2.032 -14.244 0.050 387 1HB ASP 51 2HB ASP 51 1.510 -16.377 -1.285 388 2HB ASP 51 3HB ASP 51 2.620 -15.738 -2.508 389 HA PRO 52 HA PRO 52 3.898 -10.785 -2.149 390 1HB PRO 52 2HB PRO 52 5.732 -9.949 -0.322 391 2HB PRO 52 3HB PRO 52 3.983 -9.892 0.013 392 1HG PRO 52 2HG PRO 52 5.916 -12.099 0.807 393 2HG PRO 52 3HG PRO 52 4.816 -11.189 1.886 394 1HD PRO 52 2HD PRO 52 4.128 -13.597 0.819 395 2HD PRO 52 3HD PRO 52 2.916 -12.290 1.011 396 H ALA 53 H ALA 53 4.730 -13.480 -2.908 397 HA ALA 53 HA ALA 53 7.422 -12.830 -3.952 398 1HB ALA 53 1HB ALA 53 7.851 -13.917 -1.748 399 2HB ALA 53 2HB ALA 53 6.912 -15.330 -2.284 400 3HB ALA 53 3HB ALA 53 8.431 -14.909 -3.099 401 H GLU 54 H GLU 54 4.484 -13.781 -4.758 402 HA GLU 54 HA GLU 54 5.465 -15.370 -7.091 403 1HB GLU 54 2HB GLU 54 2.813 -15.527 -5.590 404 2HB GLU 54 3HB GLU 54 3.148 -16.278 -7.161 405 1HG GLU 54 2HG GLU 54 5.059 -17.532 -6.054 406 2HG GLU 54 3HG GLU 54 4.481 -16.916 -4.494 407 H THR 55 H THR 55 3.189 -12.863 -5.852 408 HA THR 55 HA THR 55 2.219 -12.383 -8.621 409 HB THR 55 HB THR 55 0.988 -12.272 -5.858 410 HG1 THR 55 1HG THR 55 1.300 -14.264 -7.099 411 1HG2 THR 55 1HG2 THR 55 -0.259 -11.451 -8.508 412 2HG2 THR 55 2HG2 THR 55 -1.102 -11.717 -6.955 413 3HG2 THR 55 3HG2 THR 55 0.092 -10.411 -7.097 414 H GLY 56 H GLY 56 1.871 -10.260 -5.741 415 1HA GLY 56 2HA GLY 56 3.672 -8.736 -5.146 416 2HA GLY 56 3HA GLY 56 3.985 -8.439 -6.858 417 H THR 57 H THR 57 2.734 -7.026 -4.327 418 HA THR 57 HA THR 57 0.195 -6.154 -4.641 419 HB THR 57 HB THR 57 1.866 -5.658 -2.856 420 HG1 THR 57 1HG THR 57 0.279 -3.450 -3.586 421 1HG2 THR 57 1HG2 THR 57 2.493 -3.172 -4.469 422 2HG2 THR 57 2HG2 THR 57 3.132 -3.683 -2.895 423 3HG2 THR 57 3HG2 THR 57 3.505 -4.636 -4.351 424 H ALA 58 H ALA 58 2.946 -4.904 -6.529 425 HA ALA 58 HA ALA 58 1.570 -2.811 -7.872 426 1HB ALA 58 1HB ALA 58 3.386 -2.999 -9.537 427 2HB ALA 58 2HB ALA 58 4.024 -3.042 -7.880 428 3HB ALA 58 3HB ALA 58 3.896 -4.545 -8.826 429 H ALA 59 H ALA 59 1.816 -6.349 -8.601 430 HA ALA 59 HA ALA 59 0.465 -6.092 -11.161 431 1HB ALA 59 1HB ALA 59 0.860 -8.515 -9.396 432 2HB ALA 59 2HB ALA 59 0.337 -8.482 -11.096 433 3HB ALA 59 3HB ALA 59 1.981 -7.949 -10.668 434 H ILE 60 H ILE 60 -0.419 -6.666 -7.767 435 HA ILE 60 HA ILE 60 -3.127 -7.449 -8.167 436 HB ILE 60 HB ILE 60 -2.126 -5.701 -5.888 437 1HG1 ILE 60 2HG1 ILE 60 -0.693 -7.742 -6.111 438 2HG1 ILE 60 3HG1 ILE 60 -1.579 -7.561 -4.625 439 1HG2 ILE 60 1HG2 ILE 60 -4.476 -7.588 -6.069 440 2HG2 ILE 60 2HG2 ILE 60 -3.878 -6.829 -4.584 441 3HG2 ILE 60 3HG2 ILE 60 -4.521 -5.823 -5.896 442 1HD1 ILE 60 1HD1 ILE 60 -2.347 -9.399 -6.913 443 2HD1 ILE 60 2HD1 ILE 60 -1.498 -9.852 -5.413 444 3HD1 ILE 60 3HD1 ILE 60 -3.173 -9.292 -5.331 445 H GLN 61 H GLN 61 -1.707 -4.178 -7.585 446 HA GLN 61 HA GLN 61 -4.191 -2.856 -8.103 447 1HB GLN 61 2HB GLN 61 -3.181 -0.871 -7.814 448 2HB GLN 61 3HB GLN 61 -2.071 -1.919 -6.919 449 1HG GLN 61 2HG GLN 61 -0.495 -1.847 -8.807 450 2HG GLN 61 3HG GLN 61 -1.631 -0.896 -9.776 451 1HE2 GLN 61 1HE2 GLN 61 -1.831 1.302 -9.448 452 2HE2 GLN 61 2HE2 GLN 61 -0.777 2.142 -8.280 453 H GLU 62 H GLU 62 -1.460 -3.762 -10.260 454 HA GLU 62 HA GLU 62 -2.287 -2.478 -12.598 455 1HB GLU 62 2HB GLU 62 -0.170 -3.871 -12.193 456 2HB GLU 62 3HB GLU 62 -1.199 -5.299 -12.403 457 1HG GLU 62 2HG GLU 62 -1.749 -3.871 -14.682 458 2HG GLU 62 3HG GLU 62 -0.065 -3.450 -14.406 459 H LYS 63 H LYS 63 -3.489 -5.583 -11.110 460 HA LYS 63 HA LYS 63 -5.084 -6.262 -13.351 461 1HB LYS 63 2HB LYS 63 -4.253 -7.595 -11.106 462 2HB LYS 63 3HB LYS 63 -5.849 -7.105 -10.590 463 1HG LYS 63 2HG LYS 63 -6.490 -9.022 -11.615 464 2HG LYS 63 3HG LYS 63 -6.449 -8.056 -13.089 465 1HD LYS 63 2HD LYS 63 -4.266 -9.851 -11.937 466 2HD LYS 63 3HD LYS 63 -5.270 -10.216 -13.347 467 1HE LYS 63 2HE LYS 63 -4.235 -8.341 -14.604 468 2HE LYS 63 3HE LYS 63 -3.282 -7.877 -13.184 469 1HZ LYS 63 1HZ LYS 63 -2.202 -10.005 -13.269 470 2HZ LYS 63 2HZ LYS 63 -2.997 -10.388 -14.661 471 3HZ LYS 63 3HZ LYS 63 -1.951 -9.112 -14.629 472 H ILE 64 H ILE 64 -5.785 -4.553 -10.254 473 HA ILE 64 HA ILE 64 -8.556 -4.123 -10.637 474 HB ILE 64 HB ILE 64 -6.462 -2.379 -9.270 475 1HG1 ILE 64 2HG1 ILE 64 -8.467 -4.396 -8.147 476 2HG1 ILE 64 3HG1 ILE 64 -6.756 -4.739 -8.390 477 1HG2 ILE 64 1HG2 ILE 64 -9.490 -2.276 -9.085 478 2HG2 ILE 64 2HG2 ILE 64 -8.364 -1.351 -8.070 479 3HG2 ILE 64 3HG2 ILE 64 -8.430 -1.028 -9.791 480 1HD1 ILE 64 1HD1 ILE 64 -7.036 -4.239 -6.095 481 2HD1 ILE 64 2HD1 ILE 64 -6.200 -2.852 -6.819 482 3HD1 ILE 64 3HD1 ILE 64 -7.933 -2.752 -6.422 483 H GLU 65 H GLU 65 -5.738 -2.180 -11.720 484 HA GLU 65 HA GLU 65 -7.289 -0.197 -13.044 485 1HB GLU 65 2HB GLU 65 -4.397 -1.036 -13.465 486 2HB GLU 65 3HB GLU 65 -5.156 0.414 -14.140 487 1HG GLU 65 2HG GLU 65 -5.694 1.236 -11.875 488 2HG GLU 65 3HG GLU 65 -4.995 -0.196 -11.139 489 H LYS 66 H LYS 66 -5.760 -3.190 -14.409 490 HA LYS 66 HA LYS 66 -6.774 -2.901 -17.048 491 1HB LYS 66 2HB LYS 66 -5.837 -5.243 -15.426 492 2HB LYS 66 3HB LYS 66 -6.809 -5.540 -16.865 493 1HG LYS 66 2HG LYS 66 -4.664 -5.595 -17.662 494 2HG LYS 66 3HG LYS 66 -5.275 -4.034 -18.193 495 1HD LYS 66 2HD LYS 66 -4.138 -2.974 -16.198 496 2HD LYS 66 3HD LYS 66 -3.480 -4.566 -15.790 497 1HE LYS 66 2HE LYS 66 -2.949 -3.117 -18.435 498 2HE LYS 66 3HE LYS 66 -1.915 -2.974 -17.007 499 1HZ LYS 66 1HZ LYS 66 -1.051 -4.631 -18.454 500 2HZ LYS 66 2HZ LYS 66 -1.549 -5.323 -17.060 501 3HZ LYS 66 3HZ LYS 66 -2.453 -5.501 -18.416 502 H LEU 67 H LEU 67 -8.401 -4.191 -14.114 503 HA LEU 67 HA LEU 67 -10.705 -5.131 -15.547 504 1HB LEU 67 2HB LEU 67 -9.938 -4.724 -12.702 505 2HB LEU 67 3HB LEU 67 -11.644 -4.759 -13.067 506 HG LEU 67 HG LEU 67 -10.343 -6.954 -14.492 507 1HD1 LEU 67 1HD1 LEU 67 -9.871 -8.280 -12.420 508 2HD1 LEU 67 2HD1 LEU 67 -8.718 -7.002 -12.833 509 3HD1 LEU 67 3HD1 LEU 67 -9.880 -6.743 -11.514 510 1HD2 LEU 67 1HD2 LEU 67 -12.114 -8.226 -13.343 511 2HD2 LEU 67 2HD2 LEU 67 -12.489 -6.812 -12.335 512 3HD2 LEU 67 3HD2 LEU 67 -12.760 -6.750 -14.088 513 H GLY 68 H GLY 68 -9.628 -1.922 -14.950 514 1HA GLY 68 2HA GLY 68 -10.586 -0.089 -15.955 515 2HA GLY 68 3HA GLY 68 -12.147 -0.907 -16.093 516 H TYR 69 H TYR 69 -10.079 -0.503 -13.201 517 HA TYR 69 HA TYR 69 -12.076 1.371 -11.976 518 1HB TYR 69 2HB TYR 69 -10.598 -0.940 -10.679 519 2HB TYR 69 3HB TYR 69 -11.609 0.217 -9.821 520 HD1 TYR 69 HD1 TYR 69 -11.560 -2.617 -12.175 521 HD2 TYR 69 HD2 TYR 69 -14.082 0.121 -10.021 522 HE1 TYR 69 HE1 TYR 69 -13.593 -3.844 -12.958 523 HE2 TYR 69 HE2 TYR 69 -16.084 -1.110 -10.811 524 HH TYR 69 HH TYR 69 -15.834 -3.846 -13.083 525 H HIS 70 H HIS 70 -10.933 2.426 -9.959 526 HA HIS 70 HA HIS 70 -8.045 2.912 -10.465 527 1HB HIS 70 2HB HIS 70 -10.246 4.948 -10.713 528 2HB HIS 70 3HB HIS 70 -8.794 5.420 -9.837 529 HD1 HIS 70 1HD HIS 70 -8.329 3.147 -12.877 530 HD2 HIS 70 2HD HIS 70 -8.002 7.168 -11.668 531 HE1 HIS 70 1HE HIS 70 -7.008 4.360 -14.697 532 H VAL 71 H VAL 71 -6.906 2.964 -8.688 533 HA VAL 71 HA VAL 71 -8.218 2.563 -6.083 534 HB VAL 71 HB VAL 71 -5.967 2.031 -5.332 535 1HG1 VAL 71 1HG1 VAL 71 -7.371 0.273 -6.363 536 2HG1 VAL 71 2HG1 VAL 71 -6.614 0.595 -7.940 537 3HG1 VAL 71 3HG1 VAL 71 -5.638 -0.024 -6.597 538 1HG2 VAL 71 1HG2 VAL 71 -5.000 2.527 -8.196 539 2HG2 VAL 71 2HG2 VAL 71 -4.605 3.539 -6.795 540 3HG2 VAL 71 3HG2 VAL 71 -4.055 1.864 -6.859 541 H VAL 72 H VAL 72 -8.205 4.026 -4.395 542 HA VAL 72 HA VAL 72 -7.629 6.805 -5.193 543 HB VAL 72 HB VAL 72 -8.772 5.635 -2.634 544 1HG1 VAL 72 1HG1 VAL 72 -7.996 8.005 -2.322 545 2HG1 VAL 72 2HG1 VAL 72 -8.864 8.472 -3.796 546 3HG1 VAL 72 3HG1 VAL 72 -9.757 7.926 -2.364 547 1HG2 VAL 72 1HG2 VAL 72 -10.178 6.738 -5.094 548 2HG2 VAL 72 2HG2 VAL 72 -10.208 5.049 -4.547 549 3HG2 VAL 72 3HG2 VAL 72 -10.975 6.297 -3.571 550 H THR 73 H THR 73 -5.292 5.864 -5.431 551 HA THR 73 HA THR 73 -3.817 6.012 -2.839 552 HB THR 73 HB THR 73 -2.992 4.330 -5.207 553 HG1 THR 73 1HG THR 73 -4.064 2.606 -4.058 554 1HG2 THR 73 1HG2 THR 73 -1.400 4.815 -3.286 555 2HG2 THR 73 2HG2 THR 73 -2.563 3.930 -2.251 556 3HG2 THR 73 3HG2 THR 73 -1.730 3.103 -3.580 557 H GLU 74 H GLU 74 -2.107 7.418 -2.757 558 HA GLU 74 HA GLU 74 -1.459 8.913 -5.273 559 1HB GLU 74 2HB GLU 74 -2.004 9.967 -2.475 560 2HB GLU 74 3HB GLU 74 -1.425 10.928 -3.835 561 1HG GLU 74 2HG GLU 74 -3.811 9.436 -4.656 562 2HG GLU 74 3HG GLU 74 -4.126 10.320 -3.159 563 H LYS 75 H LYS 75 0.580 9.381 -5.586 564 HA LYS 75 HA LYS 75 2.726 8.331 -3.860 565 1HB LYS 75 2HB LYS 75 4.177 8.600 -5.648 566 2HB LYS 75 3HB LYS 75 2.682 7.905 -6.273 567 1HG LYS 75 2HG LYS 75 2.092 10.400 -6.890 568 2HG LYS 75 3HG LYS 75 3.836 10.623 -6.711 569 1HD LYS 75 2HD LYS 75 3.525 10.120 -9.008 570 2HD LYS 75 3HD LYS 75 4.202 8.665 -8.268 571 1HE LYS 75 2HE LYS 75 1.294 8.516 -8.091 572 2HE LYS 75 3HE LYS 75 1.703 9.018 -9.731 573 1HZ LYS 75 1HZ LYS 75 2.736 6.611 -8.352 574 2HZ LYS 75 2HZ LYS 75 1.582 6.625 -9.493 575 3HZ LYS 75 3HZ LYS 75 3.125 7.049 -9.878 576 H ALA 76 H ALA 76 2.741 9.564 -2.071 577 HA ALA 76 HA ALA 76 3.221 12.533 -2.409 578 1HB ALA 76 1HB ALA 76 2.557 10.876 0.041 579 2HB ALA 76 2HB ALA 76 2.857 12.635 0.012 580 3HB ALA 76 3HB ALA 76 1.460 11.953 -0.843 581 H GLU 77 H GLU 77 5.138 13.511 -1.414 582 HA GLU 77 HA GLU 77 7.388 11.584 -1.012 583 1HB GLU 77 2HB GLU 77 7.409 14.474 -1.934 584 2HB GLU 77 3HB GLU 77 8.778 13.581 -1.255 585 1HG GLU 77 2HG GLU 77 8.631 11.883 -3.028 586 2HG GLU 77 3HG GLU 77 7.404 12.878 -3.836 587 H PHE 78 H PHE 78 8.257 11.362 0.914 588 HA PHE 78 HA PHE 78 7.829 13.415 3.039 589 1HB PHE 78 2HB PHE 78 7.607 10.399 3.120 590 2HB PHE 78 3HB PHE 78 7.987 11.361 4.536 591 HD1 PHE 78 1HD PHE 78 6.144 12.065 5.929 592 HD2 PHE 78 2HD PHE 78 5.436 11.233 1.753 593 HE1 PHE 78 1HE PHE 78 3.771 12.546 6.236 594 HE2 PHE 78 2HE PHE 78 3.036 11.784 2.090 595 HZ PHE 78 HZ PHE 78 2.226 12.524 4.260 596 H ASP 79 H ASP 79 9.473 13.452 4.606 597 HA ASP 79 HA ASP 79 12.197 12.979 3.507 598 1HB ASP 79 2HB ASP 79 11.112 15.379 3.769 599 2HB ASP 79 3HB ASP 79 11.467 15.149 5.477 600 H ILE 80 H ILE 80 13.830 12.355 5.193 601 HA ILE 80 HA ILE 80 12.549 11.069 7.589 602 HB ILE 80 HB ILE 80 14.923 10.061 6.020 603 1HG1 ILE 80 2HG1 ILE 80 12.081 9.012 5.702 604 2HG1 ILE 80 3HG1 ILE 80 12.822 10.142 4.552 605 1HG2 ILE 80 1HG2 ILE 80 14.338 7.953 7.250 606 2HG2 ILE 80 2HG2 ILE 80 14.670 9.290 8.354 607 3HG2 ILE 80 3HG2 ILE 80 12.994 8.803 8.028 608 1HD1 ILE 80 1HD1 ILE 80 13.920 7.421 5.170 609 2HD1 ILE 80 2HD1 ILE 80 13.112 7.993 3.703 610 3HD1 ILE 80 3HD1 ILE 80 14.670 8.689 4.150 611 H GLU 81 H GLU 81 13.413 11.838 9.562 612 HA GLU 81 HA GLU 81 16.068 13.292 9.334 613 1HB GLU 81 2HB GLU 81 14.006 14.666 9.471 614 2HB GLU 81 3HB GLU 81 13.684 13.935 11.035 615 1HG GLU 81 2HG GLU 81 15.995 14.949 11.760 616 2HG GLU 81 3HG GLU 81 16.024 15.721 10.179 617 H GLY 82 H GLY 82 16.099 10.737 9.640 618 1HA GLY 82 2HA GLY 82 16.600 10.123 12.549 619 2HA GLY 82 3HA GLY 82 15.524 9.122 11.580 620 H MET 83 H MET 83 16.996 8.686 9.184 621 HA MET 83 HA MET 83 18.477 6.593 9.755 622 1HB MET 83 2HB MET 83 18.936 8.565 7.495 623 2HB MET 83 3HB MET 83 19.481 6.880 7.473 624 1HG MET 83 2HG MET 83 17.390 6.057 7.019 625 2HG MET 83 3HG MET 83 16.523 7.349 7.821 626 1HE MET 83 1HE MET 83 18.554 6.279 4.700 627 2HE MET 83 2HE MET 83 18.491 7.743 3.691 628 3HE MET 83 3HE MET 83 19.435 7.746 5.191 629 H THR 84 H THR 84 20.228 6.221 10.907 630 HA THR 84 HA THR 84 22.371 8.269 11.069 631 HB THR 84 HB THR 84 21.343 7.242 13.085 632 HG1 THR 84 1HG THR 84 23.336 7.069 14.116 633 1HG2 THR 84 1HG2 THR 84 22.972 4.772 12.341 634 2HG2 THR 84 2HG2 THR 84 22.061 5.043 13.835 635 3HG2 THR 84 3HG2 THR 84 21.198 4.870 12.301 636 H CYS 85 H CYS 85 21.723 6.419 8.624 637 HA CYS 85 HA CYS 85 22.974 5.564 6.956 638 1HB CYS 85 2HB CYS 85 24.370 7.623 7.335 639 2HB CYS 85 3HB CYS 85 25.453 6.644 8.351 640 HG CYS 85 HG CYS 85 24.617 6.368 5.187 641 H ALA 86 H ALA 86 22.131 3.678 8.222 642 HA ALA 86 HA ALA 86 24.305 1.676 8.397 643 1HB ALA 86 1HB ALA 86 23.221 0.637 10.397 644 2HB ALA 86 2HB ALA 86 23.944 2.220 10.736 645 3HB ALA 86 3HB ALA 86 22.189 2.075 10.571 646 H ALA 87 H ALA 87 20.804 1.618 9.120 647 HA ALA 87 HA ALA 87 20.094 0.704 6.436 648 1HB ALA 87 1HB ALA 87 21.039 -1.375 7.433 649 2HB ALA 87 2HB ALA 87 19.941 -1.206 8.818 650 3HB ALA 87 3HB ALA 87 19.297 -1.531 7.198 651 H CYS 88 H CYS 88 19.263 2.999 8.287 652 HA CYS 88 HA CYS 88 16.934 2.131 9.747 653 1HB CYS 88 2HB CYS 88 18.011 4.788 8.782 654 2HB CYS 88 3HB CYS 88 16.601 4.659 9.861 655 HG CYS 88 HG CYS 88 19.560 3.294 10.421 656 H ALA 89 H ALA 89 17.507 3.876 6.657 657 HA ALA 89 HA ALA 89 14.760 4.000 5.884 658 1HB ALA 89 1HB ALA 89 17.353 4.182 4.373 659 2HB ALA 89 2HB ALA 89 15.796 4.181 3.521 660 3HB ALA 89 3HB ALA 89 16.147 5.438 4.708 661 H ASN 90 H ASN 90 17.252 1.436 5.357 662 HA ASN 90 HA ASN 90 15.642 -0.121 3.624 663 1HB ASN 90 2HB ASN 90 17.740 -0.997 5.643 664 2HB ASN 90 3HB ASN 90 16.886 -2.128 4.590 665 1HD2 ASN 90 1HD2 ASN 90 18.659 -2.800 3.317 666 2HD2 ASN 90 2HD2 ASN 90 19.496 -1.677 2.265 667 H ARG 91 H ARG 91 15.881 -0.167 7.180 668 HA ARG 91 HA ARG 91 13.895 -2.175 7.689 669 1HB ARG 91 2HB ARG 91 15.295 -0.015 9.231 670 2HB ARG 91 3HB ARG 91 13.737 -0.492 9.857 671 1HG ARG 91 2HG ARG 91 15.538 -1.728 10.901 672 2HG ARG 91 3HG ARG 91 14.413 -2.809 10.071 673 1HD ARG 91 2HD ARG 91 16.012 -3.354 8.375 674 2HD ARG 91 3HD ARG 91 16.880 -1.852 8.618 675 HE ARG 91 HE ARG 91 18.217 -2.755 10.147 676 1HH1 ARG 91 2HH2 ARG 91 15.392 -4.830 9.912 677 2HH1 ARG 91 1HH2 ARG 91 15.986 -6.057 10.993 678 1HH2 ARG 91 2HH1 ARG 91 19.048 -4.333 11.608 679 2HH2 ARG 91 1HH1 ARG 91 18.128 -5.750 11.985 680 H ILE 92 H ILE 92 13.661 1.394 7.517 681 HA ILE 92 HA ILE 92 10.902 1.542 8.002 682 HB ILE 92 HB ILE 92 12.970 3.335 7.603 683 1HG1 ILE 92 2HG1 ILE 92 10.049 3.942 7.969 684 2HG1 ILE 92 3HG1 ILE 92 11.210 3.475 9.222 685 1HG2 ILE 92 1HG2 ILE 92 12.367 4.978 5.966 686 2HG2 ILE 92 2HG2 ILE 92 12.477 3.463 5.108 687 3HG2 ILE 92 3HG2 ILE 92 10.894 4.108 5.523 688 1HD1 ILE 92 1HD1 ILE 92 11.227 6.032 7.577 689 2HD1 ILE 92 2HD1 ILE 92 11.065 5.844 9.321 690 3HD1 ILE 92 3HD1 ILE 92 12.617 5.497 8.555 691 H GLU 93 H GLU 93 12.633 1.061 4.926 692 HA GLU 93 HA GLU 93 10.482 1.428 3.155 693 1HB GLU 93 2HB GLU 93 12.863 1.440 2.545 694 2HB GLU 93 3HB GLU 93 13.036 -0.254 2.966 695 1HG GLU 93 2HG GLU 93 10.871 0.227 1.027 696 2HG GLU 93 3HG GLU 93 12.434 0.827 0.479 697 H LYS 94 H LYS 94 11.903 -1.554 4.604 698 HA LYS 94 HA LYS 94 9.932 -3.287 3.473 699 1HB LYS 94 2HB LYS 94 11.909 -3.588 5.753 700 2HB LYS 94 3HB LYS 94 10.668 -4.808 5.458 701 1HG LYS 94 2HG LYS 94 12.541 -5.585 4.291 702 2HG LYS 94 3HG LYS 94 11.409 -4.990 3.075 703 1HD LYS 94 2HD LYS 94 12.822 -2.811 3.054 704 2HD LYS 94 3HD LYS 94 13.940 -3.647 4.127 705 1HE LYS 94 2HE LYS 94 14.842 -3.823 1.955 706 2HE LYS 94 3HE LYS 94 14.180 -5.433 2.298 707 1HZ LYS 94 1HZ LYS 94 12.955 -3.269 0.695 708 2HZ LYS 94 2HZ LYS 94 13.621 -4.621 0.076 709 3HZ LYS 94 3HZ LYS 94 12.217 -4.697 0.948 710 H ARG 95 H ARG 95 9.707 -1.146 6.231 711 HA ARG 95 HA ARG 95 7.191 -2.409 7.183 712 1HB ARG 95 2HB ARG 95 8.823 -0.024 7.981 713 2HB ARG 95 3HB ARG 95 7.077 0.133 8.135 714 1HG ARG 95 2HG ARG 95 7.908 -0.634 10.178 715 2HG ARG 95 3HG ARG 95 6.944 -1.919 9.458 716 1HD ARG 95 2HD ARG 95 9.762 -2.182 8.661 717 2HD ARG 95 3HD ARG 95 9.675 -2.056 10.399 718 HE ARG 95 HE ARG 95 8.933 -4.289 8.768 719 1HH1 ARG 95 2HH2 ARG 95 7.909 -2.574 11.651 720 2HH1 ARG 95 1HH2 ARG 95 7.358 -3.971 12.526 721 1HH2 ARG 95 2HH1 ARG 95 8.247 -6.220 9.896 722 2HH2 ARG 95 1HH1 ARG 95 7.519 -6.096 11.464 723 H LEU 96 H LEU 96 7.899 0.779 5.828 724 HA LEU 96 HA LEU 96 5.339 1.604 5.230 725 1HB LEU 96 2HB LEU 96 7.996 2.321 4.036 726 2HB LEU 96 3HB LEU 96 6.500 2.950 3.345 727 HG LEU 96 HG LEU 96 6.438 3.235 6.256 728 1HD1 LEU 96 1HD1 LEU 96 8.812 3.474 6.078 729 2HD1 LEU 96 2HD1 LEU 96 8.656 4.651 4.748 730 3HD1 LEU 96 3HD1 LEU 96 8.086 5.059 6.385 731 1HD2 LEU 96 1HD2 LEU 96 5.785 5.520 5.641 732 2HD2 LEU 96 2HD2 LEU 96 6.316 5.261 3.969 733 3HD2 LEU 96 3HD2 LEU 96 4.920 4.364 4.604 734 H ASN 97 H ASN 97 7.394 -0.370 3.138 735 HA ASN 97 HA ASN 97 6.238 -0.745 0.758 736 1HB ASN 97 2HB ASN 97 7.354 -2.616 2.793 737 2HB ASN 97 3HB ASN 97 6.244 -3.400 1.687 738 1HD2 ASN 97 1HD2 ASN 97 9.014 -1.166 1.600 739 2HD2 ASN 97 2HD2 ASN 97 9.869 -1.995 0.325 740 H LYS 98 H LYS 98 4.721 -1.907 3.799 741 HA LYS 98 HA LYS 98 2.095 -1.995 2.554 742 1HB LYS 98 2HB LYS 98 1.732 -4.418 2.707 743 2HB LYS 98 3HB LYS 98 2.947 -3.969 1.528 744 1HG LYS 98 2HG LYS 98 4.202 -5.588 2.401 745 2HG LYS 98 3HG LYS 98 4.616 -4.413 3.629 746 1HD LYS 98 2HD LYS 98 2.138 -5.740 4.422 747 2HD LYS 98 3HD LYS 98 3.280 -6.970 3.926 748 1HE LYS 98 2HE LYS 98 3.937 -4.767 5.950 749 2HE LYS 98 3HE LYS 98 3.281 -6.346 6.380 750 1HZ LYS 98 1HZ LYS 98 5.223 -7.354 5.401 751 2HZ LYS 98 2HZ LYS 98 5.838 -5.875 4.988 752 3HZ LYS 98 3HZ LYS 98 5.648 -6.278 6.568 753 H ILE 99 H ILE 99 2.619 -0.452 4.582 754 HA ILE 99 HA ILE 99 2.305 -1.615 7.179 755 HB ILE 99 HB ILE 99 1.714 1.086 5.987 756 1HG1 ILE 99 2HG1 ILE 99 4.047 0.352 6.482 757 2HG1 ILE 99 3HG1 ILE 99 3.542 1.836 7.297 758 1HG2 ILE 99 1HG2 ILE 99 0.008 1.104 7.542 759 2HG2 ILE 99 2HG2 ILE 99 0.941 0.216 8.774 760 3HG2 ILE 99 3HG2 ILE 99 1.338 1.903 8.371 761 1HD1 ILE 99 1HD1 ILE 99 4.850 0.512 8.821 762 2HD1 ILE 99 2HD1 ILE 99 3.186 0.495 9.406 763 3HD1 ILE 99 3HD1 ILE 99 3.854 -0.924 8.568 764 H GLU 100 H GLU 100 -0.367 -0.132 5.309 765 HA GLU 100 HA GLU 100 -1.920 -2.618 5.703 766 1HB GLU 100 2HB GLU 100 -2.821 0.102 6.739 767 2HB GLU 100 3HB GLU 100 -3.941 -1.190 6.298 768 1HG GLU 100 2HG GLU 100 -3.800 -1.581 8.529 769 2HG GLU 100 3HG GLU 100 -2.536 -2.676 7.963 770 H GLY 101 H GLY 101 -2.307 0.759 4.570 771 1HA GLY 101 2HA GLY 101 -3.281 -0.285 1.926 772 2HA GLY 101 3HA GLY 101 -3.852 1.193 2.728 773 H VAL 102 H VAL 102 -0.670 -0.284 1.984 774 HA VAL 102 HA VAL 102 0.180 2.209 0.566 775 HB VAL 102 HB VAL 102 2.006 0.321 2.066 776 1HG1 VAL 102 1HG1 VAL 102 3.157 1.531 0.347 777 2HG1 VAL 102 2HG1 VAL 102 2.283 3.029 0.700 778 3HG1 VAL 102 3HG1 VAL 102 3.483 2.452 1.827 779 1HG2 VAL 102 1HG2 VAL 102 2.135 2.119 3.788 780 2HG2 VAL 102 2HG2 VAL 102 0.784 2.951 2.999 781 3HG2 VAL 102 3HG2 VAL 102 0.538 1.358 3.727 782 H ALA 103 H ALA 103 0.759 1.994 -1.462 783 HA ALA 103 HA ALA 103 0.605 -0.655 -2.743 784 1HB ALA 103 1HB ALA 103 0.922 2.169 -3.829 785 2HB ALA 103 2HB ALA 103 1.035 0.714 -4.828 786 3HB ALA 103 3HB ALA 103 -0.478 1.105 -4.010 787 H ASN 104 H ASN 104 2.872 2.081 -2.218 788 HA ASN 104 HA ASN 104 5.182 0.274 -2.413 789 1HB ASN 104 2HB ASN 104 4.880 2.541 -4.439 790 2HB ASN 104 3HB ASN 104 6.317 1.563 -4.186 791 1HD2 ASN 104 1HD2 ASN 104 3.488 1.870 -6.031 792 2HD2 ASN 104 2HD2 ASN 104 3.462 0.220 -6.658 793 H ALA 105 H ALA 105 7.184 1.445 -2.018 794 HA ALA 105 HA ALA 105 6.978 4.080 -0.806 795 1HB ALA 105 1HB ALA 105 6.067 2.733 1.006 796 2HB ALA 105 2HB ALA 105 7.516 1.701 0.992 797 3HB ALA 105 3HB ALA 105 7.647 3.418 1.443 798 HA PRO 106 HA PRO 106 11.196 2.693 -2.282 799 1HB PRO 106 2HB PRO 106 11.660 4.454 -4.317 800 2HB PRO 106 3HB PRO 106 10.726 2.942 -4.526 801 1HG PRO 106 2HG PRO 106 9.676 5.722 -4.049 802 2HG PRO 106 3HG PRO 106 9.133 4.565 -5.295 803 1HD PRO 106 2HD PRO 106 7.775 4.832 -2.931 804 2HD PRO 106 3HD PRO 106 7.985 3.238 -3.706 805 H VAL 107 H VAL 107 12.981 3.502 -1.351 806 HA VAL 107 HA VAL 107 12.876 6.138 -0.021 807 HB VAL 107 HB VAL 107 14.852 5.285 1.228 808 1HG1 VAL 107 1HG1 VAL 107 13.563 3.734 2.659 809 2HG1 VAL 107 2HG1 VAL 107 12.605 5.136 2.183 810 3HG1 VAL 107 3HG1 VAL 107 12.330 3.575 1.390 811 1HG2 VAL 107 1HG2 VAL 107 15.651 3.534 -0.383 812 2HG2 VAL 107 2HG2 VAL 107 15.391 2.911 1.248 813 3HG2 VAL 107 3HG2 VAL 107 14.208 2.569 -0.017 814 H ASN 108 H ASN 108 14.234 7.801 -0.608 815 HA ASN 108 HA ASN 108 15.672 7.547 -3.144 816 1HB ASN 108 2HB ASN 108 15.356 9.797 -1.104 817 2HB ASN 108 3HB ASN 108 16.318 9.949 -2.570 818 1HD2 ASN 108 1HD2 ASN 108 15.325 10.805 -4.328 819 2HD2 ASN 108 2HD2 ASN 108 13.587 10.860 -4.531 820 H PHE 109 H PHE 109 16.459 7.716 0.291 821 HA PHE 109 HA PHE 109 18.287 7.646 1.489 822 1HB PHE 109 2HB PHE 109 19.169 6.077 -0.884 823 2HB PHE 109 3HB PHE 109 20.443 6.844 0.022 824 HD1 PHE 109 1HD PHE 109 17.934 4.206 0.069 825 HD2 PHE 109 2HD PHE 109 20.720 6.440 2.487 826 HE1 PHE 109 1HE PHE 109 17.924 2.401 1.744 827 HE2 PHE 109 2HE PHE 109 20.652 4.663 4.206 828 HZ PHE 109 HZ PHE 109 19.399 2.553 3.762 829 H ALA 110 H ALA 110 19.128 8.999 -1.725 830 HA ALA 110 HA ALA 110 21.563 10.087 -0.905 831 1HB ALA 110 1HB ALA 110 20.930 9.745 -3.254 832 2HB ALA 110 2HB ALA 110 19.714 11.038 -3.139 833 3HB ALA 110 3HB ALA 110 21.443 11.423 -2.982 834 H LEU 111 H LEU 111 18.330 11.531 -0.838 835 HA LEU 111 HA LEU 111 19.424 13.913 0.612 836 1HB LEU 111 2HB LEU 111 16.717 14.313 -0.241 837 2HB LEU 111 3HB LEU 111 18.143 15.229 -0.616 838 HG LEU 111 HG LEU 111 17.358 12.721 -2.190 839 1HD1 LEU 111 1HD1 LEU 111 16.393 14.248 -3.851 840 2HD1 LEU 111 2HD1 LEU 111 15.507 14.268 -2.317 841 3HD1 LEU 111 3HD1 LEU 111 16.602 15.608 -2.727 842 1HD2 LEU 111 1HD2 LEU 111 19.051 15.172 -2.936 843 2HD2 LEU 111 2HD2 LEU 111 19.757 13.632 -2.439 844 3HD2 LEU 111 3HD2 LEU 111 18.800 13.721 -3.924 845 H GLU 112 H GLU 112 18.597 11.045 1.574 846 HA GLU 112 HA GLU 112 17.378 10.028 3.151 847 1HB GLU 112 2HB GLU 112 17.848 12.740 4.445 848 2HB GLU 112 3HB GLU 112 17.271 11.321 5.318 849 1HG GLU 112 2HG GLU 112 19.247 10.037 4.696 850 2HG GLU 112 3HG GLU 112 19.864 11.350 3.687 851 H THR 113 H THR 113 15.667 10.271 1.299 852 HA THR 113 HA THR 113 13.179 11.275 2.555 853 HB THR 113 HB THR 113 12.483 12.487 0.744 854 HG1 THR 113 1HG THR 113 12.810 10.881 -0.916 855 1HG2 THR 113 1HG2 THR 113 15.477 12.617 0.318 856 2HG2 THR 113 2HG2 THR 113 14.333 13.850 -0.145 857 3HG2 THR 113 3HG2 THR 113 14.619 13.538 1.582 858 H VAL 114 H VAL 114 11.225 10.313 1.686 859 HA VAL 114 HA VAL 114 11.531 7.765 0.262 860 HB VAL 114 HB VAL 114 11.586 7.052 2.557 861 1HG1 VAL 114 1HG1 VAL 114 9.913 7.527 4.225 862 2HG1 VAL 114 2HG1 VAL 114 10.561 9.072 3.654 863 3HG1 VAL 114 3HG1 VAL 114 8.974 8.508 3.093 864 1HG2 VAL 114 1HG2 VAL 114 8.754 6.567 1.609 865 2HG2 VAL 114 2HG2 VAL 114 10.186 5.729 0.964 866 3HG2 VAL 114 3HG2 VAL 114 9.739 5.547 2.666 867 H THR 115 H THR 115 9.988 7.521 -1.277 868 HA THR 115 HA THR 115 7.744 9.467 -1.318 869 HB THR 115 HB THR 115 8.319 7.172 -3.196 870 HG1 THR 115 1HG THR 115 9.331 9.811 -3.203 871 1HG2 THR 115 1HG2 THR 115 6.783 9.774 -3.578 872 2HG2 THR 115 2HG2 THR 115 7.026 8.487 -4.783 873 3HG2 THR 115 3HG2 THR 115 6.075 8.161 -3.320 874 H VAL 116 H VAL 116 5.670 8.757 -0.717 875 HA VAL 116 HA VAL 116 5.341 5.897 0.057 876 HB VAL 116 HB VAL 116 5.435 7.350 2.039 877 1HG1 VAL 116 1HG1 VAL 116 3.753 8.944 2.590 878 2HG1 VAL 116 2HG1 VAL 116 4.380 9.408 0.994 879 3HG1 VAL 116 3HG1 VAL 116 2.813 8.603 1.139 880 1HG2 VAL 116 1HG2 VAL 116 2.730 6.135 1.426 881 2HG2 VAL 116 2HG2 VAL 116 4.146 5.256 2.040 882 3HG2 VAL 116 3HG2 VAL 116 3.353 6.482 3.045 883 H GLU 117 H GLU 117 4.132 4.963 -1.454 884 HA GLU 117 HA GLU 117 2.018 6.533 -2.882 885 1HB GLU 117 2HB GLU 117 3.828 4.272 -3.601 886 2HB GLU 117 3HB GLU 117 2.124 3.991 -3.974 887 1HG GLU 117 2HG GLU 117 2.018 6.133 -5.163 888 2HG GLU 117 3HG GLU 117 3.792 6.289 -4.965 889 H TYR 118 H TYR 118 0.327 6.507 -1.438 890 HA TYR 118 HA TYR 118 -0.629 3.863 -0.578 891 1HB TYR 118 2HB TYR 118 -0.505 4.207 1.707 892 2HB TYR 118 3HB TYR 118 1.056 4.789 1.189 893 HD1 TYR 118 HD1 TYR 118 -1.461 5.337 3.435 894 HD2 TYR 118 HD2 TYR 118 0.734 7.571 0.459 895 HE1 TYR 118 HE1 TYR 118 -1.919 7.418 4.646 896 HE2 TYR 118 HE2 TYR 118 0.239 9.653 1.654 897 HH TYR 118 HH TYR 118 -0.702 10.600 3.560 898 H ASN 119 H ASN 119 -2.605 4.118 0.804 899 HA ASN 119 HA ASN 119 -4.443 5.832 -0.749 900 1HB ASN 119 2HB ASN 119 -4.596 3.347 -0.686 901 2HB ASN 119 3HB ASN 119 -5.031 3.445 1.023 902 1HD2 ASN 119 1HD2 ASN 119 -6.220 3.296 -2.093 903 2HD2 ASN 119 2HD2 ASN 119 -7.859 3.826 -1.818 904 HA PRO 120 HA PRO 120 -4.170 8.051 3.221 905 1HB PRO 120 2HB PRO 120 -4.897 10.548 2.460 906 2HB PRO 120 3HB PRO 120 -3.354 9.821 1.937 907 1HG PRO 120 2HG PRO 120 -5.969 9.843 0.390 908 2HG PRO 120 3HG PRO 120 -4.367 10.415 -0.171 909 1HD PRO 120 2HD PRO 120 -5.240 7.922 -0.730 910 2HD PRO 120 3HD PRO 120 -3.528 8.223 -0.301 911 H LYS 121 H LYS 121 -6.790 6.657 1.904 912 HA LYS 121 HA LYS 121 -8.759 8.026 3.695 913 1HB LYS 121 2HB LYS 121 -9.278 5.751 1.756 914 2HB LYS 121 3HB LYS 121 -10.435 6.790 2.590 915 1HG LYS 121 2HG LYS 121 -8.525 7.592 0.350 916 2HG LYS 121 3HG LYS 121 -10.272 7.367 0.263 917 1HD LYS 121 2HD LYS 121 -10.433 9.239 2.088 918 2HD LYS 121 3HD LYS 121 -8.716 9.511 1.799 919 1HE LYS 121 2HE LYS 121 -9.897 11.128 0.499 920 2HE LYS 121 3HE LYS 121 -9.197 9.954 -0.624 921 1HZ LYS 121 1HZ LYS 121 -11.474 10.492 -1.169 922 2HZ LYS 121 2HZ LYS 121 -11.372 8.906 -0.749 923 3HZ LYS 121 3HZ LYS 121 -12.000 9.999 0.310 924 H GLU 122 H GLU 122 -7.378 4.841 2.825 925 HA GLU 122 HA GLU 122 -8.561 3.505 5.027 926 1HB GLU 122 2HB GLU 122 -7.371 2.719 2.690 927 2HB GLU 122 3HB GLU 122 -6.079 2.346 3.839 928 1HG GLU 122 2HG GLU 122 -7.361 0.373 3.756 929 2HG GLU 122 3HG GLU 122 -7.956 1.143 5.224 930 H ALA 123 H ALA 123 -5.333 4.993 4.592 931 HA ALA 123 HA ALA 123 -4.838 4.773 7.528 932 1HB ALA 123 1HB ALA 123 -2.476 4.258 7.086 933 2HB ALA 123 2HB ALA 123 -3.513 2.993 6.411 934 3HB ALA 123 3HB ALA 123 -2.790 4.212 5.336 935 H SER 124 H SER 124 -2.711 6.333 7.892 936 HA SER 124 HA SER 124 -2.888 8.727 6.152 937 1HB SER 124 2HB SER 124 -3.682 10.188 7.943 938 2HB SER 124 3HB SER 124 -4.884 8.951 7.568 939 HG SER 124 HG SER 124 -4.047 7.748 9.390 940 H VAL 125 H VAL 125 -1.364 10.494 6.864 941 HA VAL 125 HA VAL 125 1.109 9.862 7.647 942 HB VAL 125 HB VAL 125 1.153 12.171 8.498 943 1HG1 VAL 125 1HG1 VAL 125 -0.170 11.895 5.768 944 2HG1 VAL 125 2HG1 VAL 125 0.944 13.174 6.293 945 3HG1 VAL 125 3HG1 VAL 125 1.517 11.498 6.133 946 1HG2 VAL 125 1HG2 VAL 125 -0.715 13.707 8.146 947 2HG2 VAL 125 2HG2 VAL 125 -1.771 12.372 7.666 948 3HG2 VAL 125 3HG2 VAL 125 -1.160 12.476 9.332 949 H SER 126 H SER 126 -1.646 10.304 9.951 950 HA SER 126 HA SER 126 -0.144 10.382 12.327 951 1HB SER 126 2HB SER 126 -2.840 9.048 11.805 952 2HB SER 126 3HB SER 126 -2.239 9.647 13.360 953 HG SER 126 HG SER 126 -2.210 11.751 12.441 954 H ASP 127 H ASP 127 -1.168 7.668 10.297 955 HA ASP 127 HA ASP 127 -0.440 5.562 12.211 956 1HB ASP 127 2HB ASP 127 -1.413 5.711 9.327 957 2HB ASP 127 3HB ASP 127 -0.766 4.217 9.905 958 H LEU 128 H LEU 128 0.891 7.046 9.309 959 HA LEU 128 HA LEU 128 3.227 5.362 9.098 960 1HB LEU 128 2HB LEU 128 2.783 8.183 8.090 961 2HB LEU 128 3HB LEU 128 4.102 7.103 7.618 962 HG LEU 128 HG LEU 128 1.122 6.588 7.138 963 1HD1 LEU 128 1HD1 LEU 128 1.720 6.936 4.783 964 2HD1 LEU 128 2HD1 LEU 128 2.080 8.376 5.754 965 3HD1 LEU 128 3HD1 LEU 128 3.401 7.290 5.267 966 1HD2 LEU 128 1HD2 LEU 128 3.596 4.935 6.501 967 2HD2 LEU 128 2HD2 LEU 128 2.148 4.423 7.391 968 3HD2 LEU 128 3HD2 LEU 128 2.049 4.720 5.655 969 H LYS 129 H LYS 129 2.652 8.533 10.610 970 HA LYS 129 HA LYS 129 5.216 8.954 11.749 971 1HB LYS 129 2HB LYS 129 2.397 9.717 12.571 972 2HB LYS 129 3HB LYS 129 3.750 10.158 13.582 973 1HG LYS 129 2HG LYS 129 4.039 10.798 10.662 974 2HG LYS 129 3HG LYS 129 2.762 11.649 11.510 975 1HD LYS 129 2HD LYS 129 4.824 12.938 11.449 976 2HD LYS 129 3HD LYS 129 4.282 12.644 13.097 977 1HE LYS 129 2HE LYS 129 6.407 10.874 11.797 978 2HE LYS 129 3HE LYS 129 6.822 12.458 12.435 979 1HZ LYS 129 1HZ LYS 129 6.134 11.819 14.608 980 2HZ LYS 129 2HZ LYS 129 5.617 10.346 14.170 981 3HZ LYS 129 3HZ LYS 129 7.148 10.645 14.097 982 H GLU 130 H GLU 130 2.293 7.376 13.238 983 HA GLU 130 HA GLU 130 3.659 6.579 15.567 984 1HB GLU 130 2HB GLU 130 1.190 5.582 14.123 985 2HB GLU 130 3HB GLU 130 1.898 4.550 15.338 986 1HG GLU 130 2HG GLU 130 1.876 6.989 16.692 987 2HG GLU 130 3HG GLU 130 0.438 7.116 15.677 988 H ALA 131 H ALA 131 3.443 4.812 12.480 989 HA ALA 131 HA ALA 131 4.836 2.488 13.338 990 1HB ALA 131 1HB ALA 131 5.242 2.097 10.947 991 2HB ALA 131 2HB ALA 131 3.566 2.606 11.237 992 3HB ALA 131 3HB ALA 131 4.742 3.756 10.567 993 H VAL 132 H VAL 132 6.119 5.525 11.767 994 HA VAL 132 HA VAL 132 8.794 4.490 11.737 995 HB VAL 132 HB VAL 132 7.599 7.234 11.288 996 1HG1 VAL 132 1HG1 VAL 132 10.003 7.756 10.452 997 2HG1 VAL 132 2HG1 VAL 132 9.724 7.736 12.193 998 3HG1 VAL 132 3HG1 VAL 132 10.481 6.340 11.405 999 1HG2 VAL 132 1HG2 VAL 132 7.155 5.735 9.470 1000 2HG2 VAL 132 2HG2 VAL 132 8.619 6.590 8.963 1001 3HG2 VAL 132 3HG2 VAL 132 8.738 4.959 9.600 1002 H ASP 133 H ASP 133 6.913 6.441 14.020 1003 HA ASP 133 HA ASP 133 9.051 7.191 15.678 1004 1HB ASP 133 2HB ASP 133 6.071 6.823 16.218 1005 2HB ASP 133 3HB ASP 133 7.215 7.603 17.300 1006 H LYS 134 H LYS 134 6.761 4.399 15.735 1007 HA LYS 134 HA LYS 134 7.939 2.964 17.869 1008 1HB LYS 134 2HB LYS 134 6.106 2.318 15.638 1009 2HB LYS 134 3HB LYS 134 7.248 1.026 15.938 1010 1HG LYS 134 2HG LYS 134 5.511 0.444 17.291 1011 2HG LYS 134 3HG LYS 134 6.648 1.170 18.413 1012 1HD LYS 134 2HD LYS 134 5.011 2.552 19.121 1013 2HD LYS 134 3HD LYS 134 4.976 3.322 17.529 1014 1HE LYS 134 2HE LYS 134 3.323 1.663 16.726 1015 2HE LYS 134 3HE LYS 134 3.429 0.779 18.261 1016 1HZ LYS 134 1HZ LYS 134 2.284 3.495 17.919 1017 2HZ LYS 134 2HZ LYS 134 1.490 2.146 18.221 1018 3HZ LYS 134 3HZ LYS 134 2.503 2.751 19.357 1019 H LEU 135 H LEU 135 8.850 2.964 14.397 1020 HA LEU 135 HA LEU 135 11.060 1.141 14.648 1021 1HB LEU 135 2HB LEU 135 10.182 3.200 12.660 1022 2HB LEU 135 3HB LEU 135 11.834 2.667 12.560 1023 HG LEU 135 HG LEU 135 10.231 1.542 11.030 1024 1HD1 LEU 135 1HD1 LEU 135 11.273 -0.567 11.120 1025 2HD1 LEU 135 2HD1 LEU 135 12.460 0.638 11.619 1026 3HD1 LEU 135 3HD1 LEU 135 11.688 -0.391 12.847 1027 1HD2 LEU 135 1HD2 LEU 135 9.188 0.288 13.622 1028 2HD2 LEU 135 2HD2 LEU 135 8.274 1.101 12.333 1029 3HD2 LEU 135 3HD2 LEU 135 9.017 -0.477 12.055 1030 H GLY 136 H GLY 136 10.791 4.328 15.968 1031 1HA GLY 136 2HA GLY 136 12.313 5.459 17.214 1032 2HA GLY 136 3HA GLY 136 13.493 4.164 16.964 1033 H TYR 137 H TYR 137 11.872 5.872 14.321 1034 HA TYR 137 HA TYR 137 14.213 7.664 13.896 1035 1HB TYR 137 2HB TYR 137 12.608 6.481 11.621 1036 2HB TYR 137 3HB TYR 137 14.091 7.405 11.514 1037 HD1 TYR 137 HD1 TYR 137 12.972 4.353 10.737 1038 HD2 TYR 137 HD2 TYR 137 15.940 6.059 13.361 1039 HE1 TYR 137 HE1 TYR 137 14.115 2.173 10.866 1040 HE2 TYR 137 HE2 TYR 137 16.942 3.818 13.666 1041 HH TYR 137 HH TYR 137 15.604 0.907 12.099 1042 H LYS 138 H LYS 138 13.027 9.498 12.122 1043 HA LYS 138 HA LYS 138 10.248 9.835 13.058 1044 1HB LYS 138 2HB LYS 138 10.615 12.068 13.810 1045 2HB LYS 138 3HB LYS 138 11.657 10.944 14.700 1046 1HG LYS 138 2HG LYS 138 13.471 11.553 12.898 1047 2HG LYS 138 3HG LYS 138 12.373 12.883 12.510 1048 1HD LYS 138 2HD LYS 138 12.554 13.061 15.263 1049 2HD LYS 138 3HD LYS 138 14.169 12.428 14.840 1050 1HE LYS 138 2HE LYS 138 14.310 14.186 13.062 1051 2HE LYS 138 3HE LYS 138 12.812 14.917 13.648 1052 1HZ LYS 138 1HZ LYS 138 14.735 16.007 14.239 1053 2HZ LYS 138 2HZ LYS 138 14.050 15.461 15.656 1054 3HZ LYS 138 3HZ LYS 138 15.407 14.720 15.030 1055 H LEU 139 H LEU 139 9.015 10.376 11.492 1056 HA LEU 139 HA LEU 139 10.143 10.742 8.807 1057 1HB LEU 139 2HB LEU 139 8.236 9.041 9.939 1058 2HB LEU 139 3HB LEU 139 7.196 10.284 9.315 1059 HG LEU 139 HG LEU 139 7.597 8.195 7.938 1060 1HD1 LEU 139 1HD1 LEU 139 6.488 10.052 7.037 1061 2HD1 LEU 139 2HD1 LEU 139 8.038 10.879 6.690 1062 3HD1 LEU 139 3HD1 LEU 139 7.586 9.387 5.810 1063 1HD2 LEU 139 1HD2 LEU 139 10.180 8.258 8.215 1064 2HD2 LEU 139 2HD2 LEU 139 9.518 7.896 6.612 1065 3HD2 LEU 139 3HD2 LEU 139 10.147 9.515 6.959 1066 H LYS 140 H LYS 140 9.525 12.525 7.479 1067 HA LYS 140 HA LYS 140 7.753 14.609 8.662 1068 1HB LYS 140 2HB LYS 140 10.598 14.999 7.607 1069 2HB LYS 140 3HB LYS 140 9.428 16.300 7.841 1070 1HG LYS 140 2HG LYS 140 9.280 15.206 10.308 1071 2HG LYS 140 3HG LYS 140 10.915 14.668 9.873 1072 1HD LYS 140 2HD LYS 140 11.577 16.975 9.385 1073 2HD LYS 140 3HD LYS 140 9.920 17.560 9.662 1074 1HE LYS 140 2HE LYS 140 10.008 17.041 12.016 1075 2HE LYS 140 3HE LYS 140 11.520 16.130 11.813 1076 1HZ LYS 140 1HZ LYS 140 12.643 18.075 11.233 1077 2HZ LYS 140 2HZ LYS 140 11.304 19.035 11.382 1078 3HZ LYS 140 3HZ LYS 140 11.978 18.285 12.702 1079 H LEU 141 H LEU 141 7.374 16.316 6.898 1080 HA LEU 141 HA LEU 141 6.868 14.948 4.297 1081 1HB LEU 141 2HB LEU 141 5.757 17.507 5.524 1082 2HB LEU 141 3HB LEU 141 5.555 17.021 3.837 1083 HG LEU 141 HG LEU 141 4.711 14.752 4.801 1084 1HD1 LEU 141 1HD1 LEU 141 3.395 15.029 6.913 1085 2HD1 LEU 141 2HD1 LEU 141 5.129 15.147 7.220 1086 3HD1 LEU 141 3HD1 LEU 141 4.138 16.619 7.154 1087 1HD2 LEU 141 1HD2 LEU 141 2.470 15.482 4.719 1088 2HD2 LEU 141 2HD2 LEU 141 2.924 17.178 4.993 1089 3HD2 LEU 141 3HD2 LEU 141 3.385 16.366 3.486 1090 H LYS 142 H LYS 142 7.558 15.981 2.317 1091 HA LYS 142 HA LYS 142 10.087 17.479 2.616 1092 1HB LYS 142 2HB LYS 142 8.514 16.555 0.192 1093 2HB LYS 142 3HB LYS 142 9.998 17.521 0.128 1094 1HG LYS 142 2HG LYS 142 11.155 15.693 1.516 1095 2HG LYS 142 3HG LYS 142 9.669 14.749 1.317 1096 1HD LYS 142 2HD LYS 142 10.924 13.949 -0.444 1097 2HD LYS 142 3HD LYS 142 10.008 15.260 -1.235 1098 1HE LYS 142 2HE LYS 142 11.869 16.739 -1.197 1099 2HE LYS 142 3HE LYS 142 12.841 15.626 -0.218 1100 1HZ LYS 142 1HZ LYS 142 12.930 14.117 -2.002 1101 2HZ LYS 142 2HZ LYS 142 11.708 14.795 -2.807 1102 3HZ LYS 142 3HZ LYS 142 13.173 15.582 -2.739 1103 H GLY 143 H GLY 143 9.330 19.284 3.725 1104 1HA GLY 143 2HA GLY 143 9.109 21.585 3.604 1105 2HA GLY 143 3HA GLY 143 8.575 21.463 1.927 1106 H GLU 144 H GLU 144 6.414 20.037 1.860 1107 HA GLU 144 HA GLU 144 4.274 20.685 1.619 1108 1HB GLU 144 2HB GLU 144 2.775 20.344 3.442 1109 2HB GLU 144 3HB GLU 144 3.966 19.048 3.362 1110 1HG GLU 144 2HG GLU 144 5.137 19.913 5.311 1111 2HG GLU 144 3HG GLU 144 4.134 21.365 5.336 1112 H GLN 145 H GLN 145 5.996 22.816 1.556 1113 HA GLN 145 HA GLN 145 4.284 25.099 2.374 1114 1HB GLN 145 2HB GLN 145 7.129 24.487 3.247 1115 2HB GLN 145 3HB GLN 145 6.662 26.163 2.986 1116 1HG GLN 145 2HG GLN 145 5.156 24.276 4.843 1117 2HG GLN 145 3HG GLN 145 6.437 25.380 5.355 1118 1HE2 GLN 145 1HE2 GLN 145 4.001 25.679 6.576 1119 2HE2 GLN 145 2HE2 GLN 145 3.244 27.154 5.989 1120 H ASP 146 H ASP 146 7.381 24.185 0.777 1121 HA ASP 146 HA ASP 146 7.464 26.492 -0.788 1122 1HB ASP 146 2HB ASP 146 8.956 23.928 -1.401 1123 2HB ASP 146 3HB ASP 146 9.475 25.598 -1.623 1124 H SER 147 H SER 147 4.953 25.457 -1.415 1125 HA SER 147 HA SER 147 3.525 24.698 -2.995 1126 1HB SER 147 2HB SER 147 5.622 25.706 -4.958 1127 2HB SER 147 3HB SER 147 3.894 25.474 -5.270 1128 HG SER 147 HG SER 147 4.946 27.199 -3.267 1129 H ILE 148 H ILE 148 5.407 22.732 -1.974 1130 HA ILE 148 HA ILE 148 5.977 20.933 -4.243 1131 HB ILE 148 HB ILE 148 6.461 20.726 -1.249 1132 1HG1 ILE 148 2HG1 ILE 148 8.453 20.876 -3.552 1133 2HG1 ILE 148 3HG1 ILE 148 7.844 22.316 -2.745 1134 1HG2 ILE 148 1HG2 ILE 148 7.128 18.754 -3.486 1135 2HG2 ILE 148 2HG2 ILE 148 7.802 18.669 -1.848 1136 3HG2 ILE 148 3HG2 ILE 148 6.079 18.457 -2.086 1137 1HD1 ILE 148 1HD1 ILE 148 9.408 20.097 -1.371 1138 2HD1 ILE 148 2HD1 ILE 148 9.976 21.718 -1.787 1139 3HD1 ILE 148 3HD1 ILE 148 8.698 21.520 -0.573 1140 H GLU 149 H GLU 149 4.200 20.614 -1.160 1141 HA GLU 149 HA GLU 149 2.341 19.623 -0.532 1142 1HB GLU 149 2HB GLU 149 1.296 20.929 -2.378 1143 2HB GLU 149 3HB GLU 149 1.485 19.541 -3.462 1144 1HG GLU 149 2HG GLU 149 -0.809 19.836 -2.531 1145 2HG GLU 149 3HG GLU 149 -0.118 18.249 -2.208 1146 H GLY 150 H GLY 150 1.176 17.531 -0.463 1147 1HA GLY 150 2HA GLY 150 1.240 15.194 -1.548 1148 2HA GLY 150 3HA GLY 150 2.987 15.265 -1.265 1149 H ARG 151 H ARG 151 -0.045 14.500 0.149 1150 HA ARG 151 HA ARG 151 1.168 14.142 2.836 1151 1HB ARG 151 2HB ARG 151 -1.557 15.248 2.045 1152 2HB ARG 151 3HB ARG 151 -1.262 14.472 3.614 1153 1HG ARG 151 2HG ARG 151 0.466 16.024 4.176 1154 2HG ARG 151 3HG ARG 151 0.427 16.802 2.579 1155 1HD ARG 151 2HD ARG 151 -1.706 17.768 3.024 1156 2HD ARG 151 3HD ARG 151 -1.941 16.726 4.458 1157 HE ARG 151 HE ARG 151 0.448 18.427 4.686 1158 1HH1 ARG 151 2HH2 ARG 151 -3.053 18.526 4.980 1159 2HH1 ARG 151 1HH2 ARG 151 -3.065 19.633 6.324 1160 1HH2 ARG 151 2HH1 ARG 151 0.512 19.831 6.327 1161 2HH2 ARG 151 1HH1 ARG 151 -0.916 20.433 7.159 Start of MODEL 30 1 1H MET 1 H1 MET 1 8.921 -21.462 3.100 2 2H MET 1 H2 MET 1 8.720 -20.401 1.847 3 3H MET 1 H3 MET 1 8.241 -19.987 3.370 4 HA MET 1 HA MET 1 6.333 -20.563 2.081 5 1HB MET 1 2HB MET 1 8.002 -23.053 1.578 6 2HB MET 1 3HB MET 1 6.240 -23.153 1.553 7 1HG MET 1 2HG MET 1 7.801 -21.222 -0.187 8 2HG MET 1 3HG MET 1 7.212 -22.811 -0.690 9 1HE MET 1 1HE MET 1 6.013 -21.637 -2.769 10 2HE MET 1 2HE MET 1 4.837 -20.315 -2.591 11 3HE MET 1 3HE MET 1 6.548 -20.032 -2.201 12 H LEU 2 H LEU 2 5.468 -20.090 4.131 13 HA LEU 2 HA LEU 2 4.463 -22.377 5.488 14 1HB LEU 2 2HB LEU 2 6.941 -21.797 6.433 15 2HB LEU 2 3HB LEU 2 6.040 -20.705 7.456 16 HG LEU 2 HG LEU 2 5.268 -23.650 7.127 17 1HD1 LEU 2 1HD1 LEU 2 7.311 -22.514 9.066 18 2HD1 LEU 2 2HD1 LEU 2 6.648 -24.163 9.096 19 3HD1 LEU 2 3HD1 LEU 2 7.625 -23.632 7.720 20 1HD2 LEU 2 1HD2 LEU 2 4.355 -23.362 9.408 21 2HD2 LEU 2 2HD2 LEU 2 4.882 -21.667 9.418 22 3HD2 LEU 2 3HD2 LEU 2 3.618 -22.205 8.290 23 H SER 3 H SER 3 3.164 -20.662 4.082 24 HA SER 3 HA SER 3 1.491 -19.186 3.962 25 1HB SER 3 2HB SER 3 1.083 -19.699 6.920 26 2HB SER 3 3HB SER 3 -0.107 -19.119 5.742 27 HG SER 3 HG SER 3 1.242 -21.628 5.665 28 H GLU 4 H GLU 4 3.652 -17.704 3.827 29 HA GLU 4 HA GLU 4 3.638 -15.652 5.993 30 1HB GLU 4 2HB GLU 4 5.772 -16.891 5.320 31 2HB GLU 4 3HB GLU 4 5.712 -15.968 3.804 32 1HG GLU 4 2HG GLU 4 5.772 -13.856 5.140 33 2HG GLU 4 3HG GLU 4 5.805 -14.807 6.634 34 H GLN 5 H GLN 5 1.399 -15.528 4.613 35 HA GLN 5 HA GLN 5 1.604 -13.836 2.235 36 1HB GLN 5 2HB GLN 5 -0.717 -14.651 4.038 37 2HB GLN 5 3HB GLN 5 -0.879 -13.545 2.667 38 1HG GLN 5 2HG GLN 5 -1.503 -15.612 1.931 39 2HG GLN 5 3HG GLN 5 0.044 -15.275 1.129 40 1HE2 GLN 5 1HE2 GLN 5 1.726 -16.948 1.302 41 2HE2 GLN 5 2HE2 GLN 5 1.293 -18.371 2.201 42 H LYS 6 H LYS 6 0.346 -11.715 2.255 43 HA LYS 6 HA LYS 6 0.219 -10.417 4.874 44 1HB LYS 6 2HB LYS 6 1.337 -8.402 4.257 45 2HB LYS 6 3HB LYS 6 2.420 -9.789 4.193 46 1HG LYS 6 2HG LYS 6 3.048 -8.749 2.291 47 2HG LYS 6 3HG LYS 6 1.852 -9.846 1.613 48 1HD LYS 6 2HD LYS 6 0.239 -8.097 1.317 49 2HD LYS 6 3HD LYS 6 1.044 -7.034 2.485 50 1HE LYS 6 2HE LYS 6 3.007 -6.878 0.973 51 2HE LYS 6 3HE LYS 6 2.178 -7.901 -0.202 52 1HZ LYS 6 1HZ LYS 6 1.055 -5.328 0.728 53 2HZ LYS 6 2HZ LYS 6 2.042 -5.438 -0.580 54 3HZ LYS 6 3HZ LYS 6 0.613 -6.230 -0.588 55 H GLU 7 H GLU 7 -1.306 -8.842 4.993 56 HA GLU 7 HA GLU 7 -3.362 -8.855 2.897 57 1HB GLU 7 2HB GLU 7 -4.590 -7.420 4.526 58 2HB GLU 7 3HB GLU 7 -4.233 -9.041 5.113 59 1HG GLU 7 2HG GLU 7 -2.480 -6.685 5.888 60 2HG GLU 7 3HG GLU 7 -3.962 -7.107 6.747 61 H ILE 8 H ILE 8 -3.906 -7.082 1.694 62 HA ILE 8 HA ILE 8 -2.715 -4.458 2.443 63 HB ILE 8 HB ILE 8 -1.508 -4.956 0.516 64 1HG1 ILE 8 2HG1 ILE 8 -2.770 -2.727 0.514 65 2HG1 ILE 8 3HG1 ILE 8 -1.955 -3.294 -0.945 66 1HG2 ILE 8 1HG2 ILE 8 -2.547 -5.704 -1.629 67 2HG2 ILE 8 2HG2 ILE 8 -2.528 -6.905 -0.317 68 3HG2 ILE 8 3HG2 ILE 8 -4.035 -6.068 -0.735 69 1HD1 ILE 8 1HD1 ILE 8 -4.170 -4.080 -1.877 70 2HD1 ILE 8 2HD1 ILE 8 -4.971 -3.314 -0.491 71 3HD1 ILE 8 3HD1 ILE 8 -4.034 -2.359 -1.639 72 H ALA 9 H ALA 9 -4.311 -2.950 2.753 73 HA ALA 9 HA ALA 9 -7.082 -3.604 1.827 74 1HB ALA 9 1HB ALA 9 -6.252 -2.458 4.515 75 2HB ALA 9 2HB ALA 9 -7.918 -2.619 3.914 76 3HB ALA 9 3HB ALA 9 -6.946 -4.073 4.220 77 H MET 10 H MET 10 -7.839 -2.028 0.500 78 HA MET 10 HA MET 10 -6.984 0.784 0.923 79 1HB MET 10 2HB MET 10 -6.503 -0.861 -1.600 80 2HB MET 10 3HB MET 10 -6.633 0.892 -1.641 81 1HG MET 10 2HG MET 10 -4.700 1.051 -0.026 82 2HG MET 10 3HG MET 10 -4.518 -0.688 -0.163 83 1HE MET 10 1HE MET 10 -2.187 -0.640 -0.945 84 2HE MET 10 2HE MET 10 -1.601 0.207 -2.383 85 3HE MET 10 3HE MET 10 -2.057 1.148 -0.941 86 H GLN 11 H GLN 11 -8.187 2.253 -0.393 87 HA GLN 11 HA GLN 11 -10.962 1.378 -0.825 88 1HB GLN 11 2HB GLN 11 -9.929 3.457 0.615 89 2HB GLN 11 3HB GLN 11 -10.266 4.283 -0.912 90 1HG GLN 11 2HG GLN 11 -12.620 3.453 -0.789 91 2HG GLN 11 3HG GLN 11 -12.225 2.552 0.685 92 1HE2 GLN 11 1HE2 GLN 11 -13.374 5.556 -0.472 93 2HE2 GLN 11 2HE2 GLN 11 -13.254 6.398 1.072 94 H VAL 12 H VAL 12 -11.693 1.090 -2.842 95 HA VAL 12 HA VAL 12 -10.137 2.078 -5.166 96 HB VAL 12 HB VAL 12 -10.034 -0.337 -4.861 97 1HG1 VAL 12 1HG1 VAL 12 -12.057 -1.760 -5.050 98 2HG1 VAL 12 2HG1 VAL 12 -12.122 -0.768 -3.589 99 3HG1 VAL 12 3HG1 VAL 12 -13.084 -0.318 -5.009 100 1HG2 VAL 12 1HG2 VAL 12 -10.165 0.617 -7.156 101 2HG2 VAL 12 2HG2 VAL 12 -10.768 -1.049 -7.031 102 3HG2 VAL 12 3HG2 VAL 12 -11.917 0.292 -7.150 103 H SER 13 H SER 13 -11.386 2.735 -7.018 104 HA SER 13 HA SER 13 -14.150 3.658 -6.349 105 1HB SER 13 2HB SER 13 -12.776 5.100 -8.493 106 2HB SER 13 3HB SER 13 -13.678 5.685 -7.095 107 HG SER 13 HG SER 13 -10.965 4.759 -7.121 108 H GLY 14 H GLY 14 -15.537 3.964 -8.189 109 1HA GLY 14 2HA GLY 14 -16.321 3.501 -10.350 110 2HA GLY 14 3HA GLY 14 -15.003 2.356 -10.632 111 H MET 15 H MET 15 -16.180 1.832 -7.485 112 HA MET 15 HA MET 15 -17.366 -0.672 -8.237 113 1HB MET 15 2HB MET 15 -17.114 0.877 -5.638 114 2HB MET 15 3HB MET 15 -18.170 -0.533 -5.771 115 1HG MET 15 2HG MET 15 -16.251 -1.874 -6.638 116 2HG MET 15 3HG MET 15 -15.185 -0.490 -6.377 117 1HE MET 15 1HE MET 15 -17.937 -2.604 -4.699 118 2HE MET 15 2HE MET 15 -17.303 -2.852 -3.065 119 3HE MET 15 3HE MET 15 -17.996 -1.278 -3.523 120 H THR 16 H THR 16 -19.437 -1.278 -8.355 121 HA THR 16 HA THR 16 -21.590 0.751 -7.987 122 HB THR 16 HB THR 16 -21.661 -1.543 -9.980 123 HG1 THR 16 1HG THR 16 -20.568 1.057 -10.194 124 1HG2 THR 16 1HG2 THR 16 -23.852 -0.502 -9.559 125 2HG2 THR 16 2HG2 THR 16 -23.159 1.116 -9.815 126 3HG2 THR 16 3HG2 THR 16 -23.258 -0.041 -11.159 127 H CYS 17 H CYS 17 -20.286 -2.063 -6.755 128 HA CYS 17 HA CYS 17 -20.906 -3.023 -4.780 129 1HB CYS 17 2HB CYS 17 -22.279 -1.230 -3.983 130 2HB CYS 17 3HB CYS 17 -23.651 -1.715 -5.010 131 HG CYS 17 HG CYS 17 -24.171 -2.411 -2.616 132 H ALA 18 H ALA 18 -20.913 -5.120 -4.934 133 HA ALA 18 HA ALA 18 -21.046 -7.155 -5.861 134 1HB ALA 18 1HB ALA 18 -23.895 -6.532 -6.761 135 2HB ALA 18 2HB ALA 18 -23.125 -8.118 -6.626 136 3HB ALA 18 3HB ALA 18 -23.449 -7.171 -5.165 137 H ALA 19 H ALA 19 -21.414 -8.195 -8.167 138 HA ALA 19 HA ALA 19 -20.729 -8.294 -10.290 139 1HB ALA 19 1HB ALA 19 -22.794 -7.061 -10.693 140 2HB ALA 19 2HB ALA 19 -21.933 -5.513 -10.567 141 3HB ALA 19 3HB ALA 19 -21.541 -6.644 -11.875 142 H CYS 20 H CYS 20 -19.951 -4.814 -9.540 143 HA CYS 20 HA CYS 20 -17.654 -4.703 -11.201 144 1HB CYS 20 2HB CYS 20 -18.836 -3.112 -8.885 145 2HB CYS 20 3HB CYS 20 -17.252 -2.677 -9.509 146 HG CYS 20 HG CYS 20 -18.998 -1.066 -10.610 147 H ALA 21 H ALA 21 -17.914 -4.678 -7.650 148 HA ALA 21 HA ALA 21 -15.205 -5.212 -7.121 149 1HB ALA 21 1HB ALA 21 -15.875 -5.508 -4.893 150 2HB ALA 21 2HB ALA 21 -16.987 -4.335 -5.569 151 3HB ALA 21 3HB ALA 21 -17.530 -6.011 -5.326 152 H ALA 22 H ALA 22 -17.991 -7.462 -7.336 153 HA ALA 22 HA ALA 22 -16.660 -9.850 -6.720 154 1HB ALA 22 1HB ALA 22 -18.918 -9.433 -8.730 155 2HB ALA 22 2HB ALA 22 -18.461 -10.970 -7.970 156 3HB ALA 22 3HB ALA 22 -19.112 -9.653 -6.976 157 H ARG 23 H ARG 23 -16.822 -8.144 -9.911 158 HA ARG 23 HA ARG 23 -15.470 -10.204 -11.345 159 1HB ARG 23 2HB ARG 23 -16.223 -7.323 -11.801 160 2HB ARG 23 3HB ARG 23 -14.831 -7.888 -12.697 161 1HG ARG 23 2HG ARG 23 -17.569 -9.223 -12.732 162 2HG ARG 23 3HG ARG 23 -16.888 -8.139 -13.959 163 1HD ARG 23 2HD ARG 23 -14.844 -9.918 -13.730 164 2HD ARG 23 3HD ARG 23 -16.190 -11.003 -13.348 165 HE ARG 23 HE ARG 23 -17.035 -9.634 -15.608 166 1HH1 ARG 23 2HH2 ARG 23 -14.266 -11.663 -14.834 167 2HH1 ARG 23 1HH2 ARG 23 -13.990 -12.204 -16.463 168 1HH2 ARG 23 2HH1 ARG 23 -16.682 -10.289 -17.798 169 2HH2 ARG 23 1HH1 ARG 23 -15.414 -11.401 -18.188 170 H ILE 24 H ILE 24 -14.320 -7.288 -9.576 171 HA ILE 24 HA ILE 24 -11.588 -7.606 -10.284 172 HB ILE 24 HB ILE 24 -12.771 -6.411 -7.754 173 1HG1 ILE 24 2HG1 ILE 24 -11.902 -5.000 -10.343 174 2HG1 ILE 24 3HG1 ILE 24 -13.578 -5.407 -10.031 175 1HG2 ILE 24 1HG2 ILE 24 -10.459 -6.873 -7.498 176 2HG2 ILE 24 2HG2 ILE 24 -10.092 -6.024 -9.032 177 3HG2 ILE 24 3HG2 ILE 24 -10.739 -5.137 -7.624 178 1HD1 ILE 24 1HD1 ILE 24 -11.894 -3.365 -8.631 179 2HD1 ILE 24 2HD1 ILE 24 -13.522 -3.235 -9.332 180 3HD1 ILE 24 3HD1 ILE 24 -13.306 -4.083 -7.805 181 H GLU 25 H GLU 25 -13.306 -8.617 -7.222 182 HA GLU 25 HA GLU 25 -11.098 -9.979 -6.222 183 1HB GLU 25 2HB GLU 25 -14.049 -10.603 -5.732 184 2HB GLU 25 3HB GLU 25 -12.679 -11.042 -4.694 185 1HG GLU 25 2HG GLU 25 -13.737 -8.239 -5.242 186 2HG GLU 25 3HG GLU 25 -13.667 -9.106 -3.723 187 H LYS 26 H LYS 26 -13.734 -11.337 -8.295 188 HA LYS 26 HA LYS 26 -12.749 -13.972 -8.300 189 1HB LYS 26 2HB LYS 26 -14.978 -13.145 -9.210 190 2HB LYS 26 3HB LYS 26 -14.086 -12.608 -10.648 191 1HG LYS 26 2HG LYS 26 -13.113 -15.119 -10.407 192 2HG LYS 26 3HG LYS 26 -14.630 -15.382 -9.572 193 1HD LYS 26 2HD LYS 26 -14.370 -14.135 -12.361 194 2HD LYS 26 3HD LYS 26 -14.468 -15.875 -12.145 195 1HE LYS 26 2HE LYS 26 -16.623 -13.957 -11.126 196 2HE LYS 26 3HE LYS 26 -16.643 -14.675 -12.745 197 1HZ LYS 26 1HZ LYS 26 -16.691 -16.204 -10.231 198 2HZ LYS 26 2HZ LYS 26 -17.957 -15.960 -11.248 199 3HZ LYS 26 3HZ LYS 26 -16.672 -16.851 -11.744 200 H GLY 27 H GLY 27 -11.929 -11.158 -10.392 201 1HA GLY 27 2HA GLY 27 -10.190 -12.500 -12.201 202 2HA GLY 27 3HA GLY 27 -10.185 -10.771 -11.801 203 H LEU 28 H LEU 28 -9.529 -10.706 -9.148 204 HA LEU 28 HA LEU 28 -6.703 -11.197 -9.252 205 1HB LEU 28 2HB LEU 28 -8.647 -10.214 -7.117 206 2HB LEU 28 3HB LEU 28 -6.972 -10.554 -6.705 207 HG LEU 28 HG LEU 28 -7.363 -8.143 -7.167 208 1HD1 LEU 28 1HD1 LEU 28 -5.521 -9.321 -9.285 209 2HD1 LEU 28 2HD1 LEU 28 -5.393 -7.784 -8.415 210 3HD1 LEU 28 3HD1 LEU 28 -5.132 -9.312 -7.554 211 1HD2 LEU 28 1HD2 LEU 28 -8.006 -8.889 -10.014 212 2HD2 LEU 28 2HD2 LEU 28 -9.048 -8.153 -8.786 213 3HD2 LEU 28 3HD2 LEU 28 -7.667 -7.266 -9.373 214 H LYS 29 H LYS 29 -9.404 -12.979 -7.797 215 HA LYS 29 HA LYS 29 -7.926 -14.912 -6.438 216 1HB LYS 29 2HB LYS 29 -10.608 -14.547 -6.810 217 2HB LYS 29 3HB LYS 29 -10.320 -15.924 -7.856 218 1HG LYS 29 2HG LYS 29 -10.761 -16.985 -5.842 219 2HG LYS 29 3HG LYS 29 -9.010 -16.877 -5.766 220 1HD LYS 29 2HD LYS 29 -9.681 -16.159 -3.634 221 2HD LYS 29 3HD LYS 29 -9.406 -14.623 -4.468 222 1HE LYS 29 2HE LYS 29 -11.893 -14.466 -4.907 223 2HE LYS 29 3HE LYS 29 -12.102 -16.042 -4.125 224 1HZ LYS 29 1HZ LYS 29 -12.663 -14.471 -2.546 225 2HZ LYS 29 2HZ LYS 29 -11.184 -14.926 -2.056 226 3HZ LYS 29 3HZ LYS 29 -11.410 -13.491 -2.808 227 H ARG 30 H ARG 30 -8.010 -14.339 -9.870 228 HA ARG 30 HA ARG 30 -7.373 -17.018 -10.723 229 1HB ARG 30 2HB ARG 30 -8.293 -14.876 -12.015 230 2HB ARG 30 3HB ARG 30 -6.580 -14.519 -12.208 231 1HG ARG 30 2HG ARG 30 -6.913 -15.765 -14.116 232 2HG ARG 30 3HG ARG 30 -6.577 -17.120 -13.031 233 1HD ARG 30 2HD ARG 30 -9.056 -17.286 -12.568 234 2HD ARG 30 3HD ARG 30 -9.364 -16.036 -13.765 235 HE ARG 30 HE ARG 30 -8.820 -18.845 -14.182 236 1HH1 ARG 30 2HH2 ARG 30 -8.338 -15.714 -15.701 237 2HH1 ARG 30 1HH2 ARG 30 -8.441 -16.292 -17.337 238 1HH2 ARG 30 2HH1 ARG 30 -9.018 -19.666 -16.336 239 2HH2 ARG 30 1HH1 ARG 30 -8.835 -18.610 -17.696 240 H MET 31 H MET 31 -5.474 -14.444 -9.214 241 HA MET 31 HA MET 31 -2.985 -15.108 -10.582 242 1HB MET 31 2HB MET 31 -3.576 -13.432 -8.123 243 2HB MET 31 3HB MET 31 -1.998 -13.513 -8.899 244 1HG MET 31 2HG MET 31 -4.259 -12.786 -10.724 245 2HG MET 31 3HG MET 31 -3.930 -11.656 -9.423 246 1HE MET 31 1HE MET 31 -0.834 -12.657 -12.711 247 2HE MET 31 2HE MET 31 -1.192 -13.799 -11.411 248 3HE MET 31 3HE MET 31 -2.446 -13.410 -12.612 249 HA PRO 32 HA PRO 32 -2.046 -18.623 -8.258 250 1HB PRO 32 2HB PRO 32 0.681 -18.836 -8.283 251 2HB PRO 32 3HB PRO 32 -0.336 -19.019 -9.740 252 1HG PRO 32 2HG PRO 32 1.134 -16.542 -8.813 253 2HG PRO 32 3HG PRO 32 1.135 -17.265 -10.445 254 1HD PRO 32 2HD PRO 32 -0.492 -15.185 -9.790 255 2HD PRO 32 3HD PRO 32 -1.070 -16.486 -10.885 256 H GLY 33 H GLY 33 -0.196 -15.717 -7.080 257 1HA GLY 33 2HA GLY 33 0.436 -16.972 -4.548 258 2HA GLY 33 3HA GLY 33 0.634 -15.275 -5.005 259 H VAL 34 H VAL 34 -2.553 -15.809 -5.794 260 HA VAL 34 HA VAL 34 -3.366 -14.218 -3.544 261 HB VAL 34 HB VAL 34 -4.332 -14.257 -5.927 262 1HG1 VAL 34 1HG1 VAL 34 -4.832 -16.854 -5.668 263 2HG1 VAL 34 2HG1 VAL 34 -6.296 -16.293 -4.849 264 3HG1 VAL 34 3HG1 VAL 34 -5.934 -15.789 -6.518 265 1HG2 VAL 34 1HG2 VAL 34 -6.531 -13.516 -5.123 266 2HG2 VAL 34 2HG2 VAL 34 -6.213 -14.235 -3.530 267 3HG2 VAL 34 3HG2 VAL 34 -5.232 -12.873 -4.110 268 H THR 35 H THR 35 -4.181 -14.738 -1.644 269 HA THR 35 HA THR 35 -4.550 -17.646 -1.059 270 HB THR 35 HB THR 35 -3.994 -15.376 0.817 271 HG1 THR 35 1HG THR 35 -2.385 -16.722 -0.956 272 1HG2 THR 35 1HG2 THR 35 -3.692 -18.415 1.078 273 2HG2 THR 35 2HG2 THR 35 -3.229 -17.237 2.319 274 3HG2 THR 35 3HG2 THR 35 -4.936 -17.424 1.872 275 H ASP 36 H ASP 36 -5.771 -14.283 -0.436 276 HA ASP 36 HA ASP 36 -8.295 -15.260 -1.263 277 1HB ASP 36 2HB ASP 36 -8.310 -15.746 1.264 278 2HB ASP 36 3HB ASP 36 -8.291 -14.000 1.510 279 H ALA 37 H ALA 37 -9.882 -13.390 -1.231 280 HA ALA 37 HA ALA 37 -8.735 -10.730 -1.691 281 1HB ALA 37 1HB ALA 37 -8.212 -12.014 -3.816 282 2HB ALA 37 2HB ALA 37 -9.954 -12.276 -4.037 283 3HB ALA 37 3HB ALA 37 -9.287 -10.638 -4.069 284 H ASN 38 H ASN 38 -10.228 -9.521 -0.637 285 HA ASN 38 HA ASN 38 -13.098 -10.205 -0.978 286 1HB ASN 38 2HB ASN 38 -12.163 -9.200 1.680 287 2HB ASN 38 3HB ASN 38 -13.624 -10.087 1.284 288 1HD2 ASN 38 1HD2 ASN 38 -12.683 -12.436 0.156 289 2HD2 ASN 38 2HD2 ASN 38 -11.728 -13.286 1.371 290 H VAL 39 H VAL 39 -14.440 -8.371 -0.094 291 HA VAL 39 HA VAL 39 -13.242 -5.713 -0.238 292 HB VAL 39 HB VAL 39 -13.419 -6.299 -2.577 293 1HG1 VAL 39 1HG1 VAL 39 -16.426 -6.581 -2.429 294 2HG1 VAL 39 2HG1 VAL 39 -15.282 -7.119 -3.680 295 3HG1 VAL 39 3HG1 VAL 39 -15.397 -7.999 -2.179 296 1HG2 VAL 39 1HG2 VAL 39 -13.916 -3.973 -1.795 297 2HG2 VAL 39 2HG2 VAL 39 -14.664 -4.388 -3.338 298 3HG2 VAL 39 3HG2 VAL 39 -15.646 -4.355 -1.856 299 H ASN 40 H ASN 40 -14.020 -4.765 1.393 300 HA ASN 40 HA ASN 40 -16.735 -5.377 2.468 301 1HB ASN 40 2HB ASN 40 -14.377 -3.666 3.317 302 2HB ASN 40 3HB ASN 40 -16.011 -3.249 3.860 303 1HD2 ASN 40 1HD2 ASN 40 -14.856 -3.538 5.952 304 2HD2 ASN 40 2HD2 ASN 40 -15.061 -5.129 6.659 305 H LEU 41 H LEU 41 -17.571 -4.944 0.317 306 HA LEU 41 HA LEU 41 -17.582 -2.421 -0.895 307 1HB LEU 41 2HB LEU 41 -19.545 -3.129 -2.081 308 2HB LEU 41 3HB LEU 41 -18.447 -4.490 -1.888 309 HG LEU 41 HG LEU 41 -19.949 -5.215 0.034 310 1HD1 LEU 41 1HD1 LEU 41 -21.411 -3.434 0.594 311 2HD1 LEU 41 2HD1 LEU 41 -21.577 -2.924 -1.096 312 3HD1 LEU 41 3HD1 LEU 41 -22.419 -4.367 -0.497 313 1HD2 LEU 41 1HD2 LEU 41 -19.901 -6.291 -2.183 314 2HD2 LEU 41 2HD2 LEU 41 -21.555 -6.256 -1.555 315 3HD2 LEU 41 3HD2 LEU 41 -21.054 -5.087 -2.796 316 H ALA 42 H ALA 42 -19.069 -3.342 2.051 317 HA ALA 42 HA ALA 42 -21.006 -1.311 2.335 318 1HB ALA 42 1HB ALA 42 -20.731 -1.723 4.765 319 2HB ALA 42 2HB ALA 42 -20.796 -3.250 3.862 320 3HB ALA 42 3HB ALA 42 -19.236 -2.629 4.450 321 H THR 43 H THR 43 -17.448 -1.241 2.673 322 HA THR 43 HA THR 43 -17.590 1.716 3.116 323 HB THR 43 HB THR 43 -15.274 1.250 4.227 324 HG1 THR 43 1HG THR 43 -16.551 -1.254 4.616 325 1HG2 THR 43 1HG2 THR 43 -17.286 2.021 5.462 326 2HG2 THR 43 2HG2 THR 43 -17.866 0.350 5.588 327 3HG2 THR 43 3HG2 THR 43 -16.365 0.835 6.407 328 H GLU 44 H GLU 44 -17.246 -0.361 0.709 329 HA GLU 44 HA GLU 44 -16.023 -0.583 -1.181 330 1HB GLU 44 2HB GLU 44 -15.578 2.407 -0.808 331 2HB GLU 44 3HB GLU 44 -15.262 1.500 -2.291 332 1HG GLU 44 2HG GLU 44 -17.640 0.866 -2.448 333 2HG GLU 44 3HG GLU 44 -17.996 1.791 -0.979 334 H THR 45 H THR 45 -14.640 -1.436 1.103 335 HA THR 45 HA THR 45 -11.829 -0.457 0.704 336 HB THR 45 HB THR 45 -13.209 -1.804 3.037 337 HG1 THR 45 1HG THR 45 -11.679 0.421 3.446 338 1HG2 THR 45 1HG2 THR 45 -10.960 -1.669 4.147 339 2HG2 THR 45 2HG2 THR 45 -11.032 -2.870 2.851 340 3HG2 THR 45 3HG2 THR 45 -10.247 -1.303 2.559 341 H VAL 46 H VAL 46 -10.860 -1.748 -0.799 342 HA VAL 46 HA VAL 46 -11.671 -4.577 -1.108 343 HB VAL 46 HB VAL 46 -11.457 -3.422 -3.173 344 1HG1 VAL 46 1HG1 VAL 46 -10.002 -1.526 -2.671 345 2HG1 VAL 46 2HG1 VAL 46 -8.623 -2.608 -2.371 346 3HG1 VAL 46 3HG1 VAL 46 -9.315 -2.474 -3.991 347 1HG2 VAL 46 1HG2 VAL 46 -9.866 -4.843 -4.293 348 2HG2 VAL 46 2HG2 VAL 46 -8.953 -5.092 -2.792 349 3HG2 VAL 46 3HG2 VAL 46 -10.592 -5.763 -2.961 350 H ASN 47 H ASN 47 -10.510 -6.169 -0.104 351 HA ASN 47 HA ASN 47 -7.894 -5.443 1.034 352 1HB ASN 47 2HB ASN 47 -8.376 -6.509 3.089 353 2HB ASN 47 3HB ASN 47 -9.596 -5.269 2.802 354 1HD2 ASN 47 1HD2 ASN 47 -9.007 -8.673 3.323 355 2HD2 ASN 47 2HD2 ASN 47 -10.661 -9.210 3.216 356 H VAL 48 H VAL 48 -6.382 -6.774 0.261 357 HA VAL 48 HA VAL 48 -7.243 -9.442 -0.794 358 HB VAL 48 HB VAL 48 -5.028 -7.840 -2.059 359 1HG1 VAL 48 1HG1 VAL 48 -5.456 -10.322 -2.555 360 2HG1 VAL 48 2HG1 VAL 48 -7.010 -9.829 -3.236 361 3HG1 VAL 48 3HG1 VAL 48 -5.505 -9.246 -3.968 362 1HG2 VAL 48 1HG2 VAL 48 -7.994 -7.589 -2.717 363 2HG2 VAL 48 2HG2 VAL 48 -6.891 -6.283 -2.217 364 3HG2 VAL 48 3HG2 VAL 48 -6.676 -7.066 -3.784 365 H ILE 49 H ILE 49 -6.022 -11.157 -0.214 366 HA ILE 49 HA ILE 49 -3.548 -10.640 1.364 367 HB ILE 49 HB ILE 49 -5.659 -12.794 1.771 368 1HG1 ILE 49 2HG1 ILE 49 -4.740 -10.838 3.878 369 2HG1 ILE 49 3HG1 ILE 49 -5.942 -10.299 2.704 370 1HG2 ILE 49 1HG2 ILE 49 -4.226 -13.525 3.698 371 2HG2 ILE 49 2HG2 ILE 49 -3.358 -13.718 2.182 372 3HG2 ILE 49 3HG2 ILE 49 -2.998 -12.342 3.224 373 1HD1 ILE 49 1HD1 ILE 49 -7.448 -12.123 3.305 374 2HD1 ILE 49 2HD1 ILE 49 -6.274 -12.731 4.495 375 3HD1 ILE 49 3HD1 ILE 49 -7.024 -11.139 4.719 376 H TYR 50 H TYR 50 -1.782 -11.492 0.319 377 HA TYR 50 HA TYR 50 -2.039 -13.973 -1.232 378 1HB TYR 50 2HB TYR 50 -1.009 -12.872 -3.274 379 2HB TYR 50 3HB TYR 50 -2.652 -12.338 -2.929 380 HD1 TYR 50 HD1 TYR 50 -3.225 -10.145 -2.522 381 HD2 TYR 50 HD2 TYR 50 0.929 -11.271 -2.619 382 HE1 TYR 50 HE1 TYR 50 -2.594 -7.799 -2.389 383 HE2 TYR 50 HE2 TYR 50 1.576 -8.904 -2.299 384 HH TYR 50 HH TYR 50 -0.750 -6.271 -2.369 385 H ASP 51 H ASP 51 0.168 -14.525 -2.155 386 HA ASP 51 HA ASP 51 2.032 -14.244 0.050 387 1HB ASP 51 2HB ASP 51 1.510 -16.377 -1.285 388 2HB ASP 51 3HB ASP 51 2.620 -15.738 -2.508 389 HA PRO 52 HA PRO 52 3.898 -10.785 -2.149 390 1HB PRO 52 2HB PRO 52 5.732 -9.949 -0.322 391 2HB PRO 52 3HB PRO 52 3.983 -9.892 0.013 392 1HG PRO 52 2HG PRO 52 5.916 -12.099 0.807 393 2HG PRO 52 3HG PRO 52 4.816 -11.189 1.886 394 1HD PRO 52 2HD PRO 52 4.128 -13.597 0.819 395 2HD PRO 52 3HD PRO 52 2.916 -12.290 1.011 396 H ALA 53 H ALA 53 4.730 -13.480 -2.908 397 HA ALA 53 HA ALA 53 7.422 -12.830 -3.952 398 1HB ALA 53 1HB ALA 53 7.851 -13.917 -1.748 399 2HB ALA 53 2HB ALA 53 6.912 -15.330 -2.284 400 3HB ALA 53 3HB ALA 53 8.431 -14.909 -3.099 401 H GLU 54 H GLU 54 4.484 -13.781 -4.758 402 HA GLU 54 HA GLU 54 5.465 -15.370 -7.091 403 1HB GLU 54 2HB GLU 54 2.813 -15.527 -5.590 404 2HB GLU 54 3HB GLU 54 3.148 -16.278 -7.161 405 1HG GLU 54 2HG GLU 54 5.059 -17.532 -6.054 406 2HG GLU 54 3HG GLU 54 4.481 -16.916 -4.494 407 H THR 55 H THR 55 3.189 -12.863 -5.852 408 HA THR 55 HA THR 55 2.219 -12.383 -8.621 409 HB THR 55 HB THR 55 0.988 -12.272 -5.858 410 HG1 THR 55 1HG THR 55 1.300 -14.264 -7.099 411 1HG2 THR 55 1HG2 THR 55 -0.259 -11.451 -8.508 412 2HG2 THR 55 2HG2 THR 55 -1.102 -11.717 -6.955 413 3HG2 THR 55 3HG2 THR 55 0.092 -10.411 -7.097 414 H GLY 56 H GLY 56 1.871 -10.260 -5.741 415 1HA GLY 56 2HA GLY 56 3.672 -8.736 -5.146 416 2HA GLY 56 3HA GLY 56 3.985 -8.439 -6.858 417 H THR 57 H THR 57 2.734 -7.026 -4.327 418 HA THR 57 HA THR 57 0.195 -6.154 -4.641 419 HB THR 57 HB THR 57 1.866 -5.658 -2.856 420 HG1 THR 57 1HG THR 57 0.279 -3.450 -3.586 421 1HG2 THR 57 1HG2 THR 57 2.493 -3.172 -4.469 422 2HG2 THR 57 2HG2 THR 57 3.132 -3.683 -2.895 423 3HG2 THR 57 3HG2 THR 57 3.505 -4.636 -4.351 424 H ALA 58 H ALA 58 2.946 -4.904 -6.529 425 HA ALA 58 HA ALA 58 1.570 -2.811 -7.872 426 1HB ALA 58 1HB ALA 58 3.386 -2.999 -9.537 427 2HB ALA 58 2HB ALA 58 4.024 -3.042 -7.880 428 3HB ALA 58 3HB ALA 58 3.896 -4.545 -8.826 429 H ALA 59 H ALA 59 1.816 -6.349 -8.601 430 HA ALA 59 HA ALA 59 0.465 -6.092 -11.161 431 1HB ALA 59 1HB ALA 59 0.860 -8.515 -9.396 432 2HB ALA 59 2HB ALA 59 0.337 -8.482 -11.096 433 3HB ALA 59 3HB ALA 59 1.981 -7.949 -10.668 434 H ILE 60 H ILE 60 -0.419 -6.666 -7.767 435 HA ILE 60 HA ILE 60 -3.127 -7.449 -8.167 436 HB ILE 60 HB ILE 60 -2.126 -5.701 -5.888 437 1HG1 ILE 60 2HG1 ILE 60 -0.693 -7.742 -6.111 438 2HG1 ILE 60 3HG1 ILE 60 -1.579 -7.561 -4.625 439 1HG2 ILE 60 1HG2 ILE 60 -4.476 -7.588 -6.069 440 2HG2 ILE 60 2HG2 ILE 60 -3.878 -6.829 -4.584 441 3HG2 ILE 60 3HG2 ILE 60 -4.521 -5.823 -5.896 442 1HD1 ILE 60 1HD1 ILE 60 -2.347 -9.399 -6.913 443 2HD1 ILE 60 2HD1 ILE 60 -1.498 -9.852 -5.413 444 3HD1 ILE 60 3HD1 ILE 60 -3.173 -9.292 -5.331 445 H GLN 61 H GLN 61 -1.707 -4.178 -7.585 446 HA GLN 61 HA GLN 61 -4.191 -2.856 -8.103 447 1HB GLN 61 2HB GLN 61 -3.181 -0.871 -7.814 448 2HB GLN 61 3HB GLN 61 -2.071 -1.919 -6.919 449 1HG GLN 61 2HG GLN 61 -0.495 -1.847 -8.807 450 2HG GLN 61 3HG GLN 61 -1.631 -0.896 -9.776 451 1HE2 GLN 61 1HE2 GLN 61 -1.831 1.302 -9.448 452 2HE2 GLN 61 2HE2 GLN 61 -0.777 2.142 -8.280 453 H GLU 62 H GLU 62 -1.460 -3.762 -10.260 454 HA GLU 62 HA GLU 62 -2.287 -2.478 -12.598 455 1HB GLU 62 2HB GLU 62 -0.170 -3.871 -12.193 456 2HB GLU 62 3HB GLU 62 -1.199 -5.299 -12.403 457 1HG GLU 62 2HG GLU 62 -1.749 -3.871 -14.682 458 2HG GLU 62 3HG GLU 62 -0.065 -3.450 -14.406 459 H LYS 63 H LYS 63 -3.489 -5.583 -11.110 460 HA LYS 63 HA LYS 63 -5.084 -6.262 -13.351 461 1HB LYS 63 2HB LYS 63 -4.253 -7.595 -11.106 462 2HB LYS 63 3HB LYS 63 -5.849 -7.105 -10.590 463 1HG LYS 63 2HG LYS 63 -6.490 -9.022 -11.615 464 2HG LYS 63 3HG LYS 63 -6.449 -8.056 -13.089 465 1HD LYS 63 2HD LYS 63 -4.266 -9.851 -11.937 466 2HD LYS 63 3HD LYS 63 -5.270 -10.216 -13.347 467 1HE LYS 63 2HE LYS 63 -4.235 -8.341 -14.604 468 2HE LYS 63 3HE LYS 63 -3.282 -7.877 -13.184 469 1HZ LYS 63 1HZ LYS 63 -2.202 -10.005 -13.269 470 2HZ LYS 63 2HZ LYS 63 -2.997 -10.388 -14.661 471 3HZ LYS 63 3HZ LYS 63 -1.951 -9.112 -14.629 472 H ILE 64 H ILE 64 -5.785 -4.553 -10.254 473 HA ILE 64 HA ILE 64 -8.556 -4.123 -10.637 474 HB ILE 64 HB ILE 64 -6.462 -2.379 -9.270 475 1HG1 ILE 64 2HG1 ILE 64 -8.467 -4.396 -8.147 476 2HG1 ILE 64 3HG1 ILE 64 -6.756 -4.739 -8.390 477 1HG2 ILE 64 1HG2 ILE 64 -9.490 -2.276 -9.085 478 2HG2 ILE 64 2HG2 ILE 64 -8.364 -1.351 -8.070 479 3HG2 ILE 64 3HG2 ILE 64 -8.430 -1.028 -9.791 480 1HD1 ILE 64 1HD1 ILE 64 -7.036 -4.239 -6.095 481 2HD1 ILE 64 2HD1 ILE 64 -6.200 -2.852 -6.819 482 3HD1 ILE 64 3HD1 ILE 64 -7.933 -2.752 -6.422 483 H GLU 65 H GLU 65 -5.738 -2.180 -11.720 484 HA GLU 65 HA GLU 65 -7.289 -0.197 -13.044 485 1HB GLU 65 2HB GLU 65 -4.397 -1.036 -13.465 486 2HB GLU 65 3HB GLU 65 -5.156 0.414 -14.140 487 1HG GLU 65 2HG GLU 65 -5.694 1.236 -11.875 488 2HG GLU 65 3HG GLU 65 -4.995 -0.196 -11.139 489 H LYS 66 H LYS 66 -5.760 -3.190 -14.409 490 HA LYS 66 HA LYS 66 -6.774 -2.901 -17.048 491 1HB LYS 66 2HB LYS 66 -5.837 -5.243 -15.426 492 2HB LYS 66 3HB LYS 66 -6.809 -5.540 -16.865 493 1HG LYS 66 2HG LYS 66 -4.664 -5.595 -17.662 494 2HG LYS 66 3HG LYS 66 -5.275 -4.034 -18.193 495 1HD LYS 66 2HD LYS 66 -4.138 -2.974 -16.198 496 2HD LYS 66 3HD LYS 66 -3.480 -4.566 -15.790 497 1HE LYS 66 2HE LYS 66 -2.949 -3.117 -18.435 498 2HE LYS 66 3HE LYS 66 -1.915 -2.974 -17.007 499 1HZ LYS 66 1HZ LYS 66 -1.051 -4.631 -18.454 500 2HZ LYS 66 2HZ LYS 66 -1.549 -5.323 -17.060 501 3HZ LYS 66 3HZ LYS 66 -2.453 -5.501 -18.416 502 H LEU 67 H LEU 67 -8.401 -4.191 -14.114 503 HA LEU 67 HA LEU 67 -10.705 -5.131 -15.547 504 1HB LEU 67 2HB LEU 67 -9.938 -4.724 -12.702 505 2HB LEU 67 3HB LEU 67 -11.644 -4.759 -13.067 506 HG LEU 67 HG LEU 67 -10.343 -6.954 -14.492 507 1HD1 LEU 67 1HD1 LEU 67 -9.871 -8.280 -12.420 508 2HD1 LEU 67 2HD1 LEU 67 -8.718 -7.002 -12.833 509 3HD1 LEU 67 3HD1 LEU 67 -9.880 -6.743 -11.514 510 1HD2 LEU 67 1HD2 LEU 67 -12.114 -8.226 -13.343 511 2HD2 LEU 67 2HD2 LEU 67 -12.489 -6.812 -12.335 512 3HD2 LEU 67 3HD2 LEU 67 -12.760 -6.750 -14.088 513 H GLY 68 H GLY 68 -9.628 -1.922 -14.950 514 1HA GLY 68 2HA GLY 68 -10.586 -0.089 -15.955 515 2HA GLY 68 3HA GLY 68 -12.147 -0.907 -16.093 516 H TYR 69 H TYR 69 -10.079 -0.503 -13.201 517 HA TYR 69 HA TYR 69 -12.076 1.371 -11.976 518 1HB TYR 69 2HB TYR 69 -10.598 -0.940 -10.679 519 2HB TYR 69 3HB TYR 69 -11.609 0.217 -9.821 520 HD1 TYR 69 HD1 TYR 69 -11.560 -2.617 -12.175 521 HD2 TYR 69 HD2 TYR 69 -14.082 0.121 -10.021 522 HE1 TYR 69 HE1 TYR 69 -13.593 -3.844 -12.958 523 HE2 TYR 69 HE2 TYR 69 -16.084 -1.110 -10.811 524 HH TYR 69 HH TYR 69 -15.834 -3.846 -13.083 525 H HIS 70 H HIS 70 -10.933 2.426 -9.959 526 HA HIS 70 HA HIS 70 -8.045 2.912 -10.465 527 1HB HIS 70 2HB HIS 70 -10.246 4.948 -10.713 528 2HB HIS 70 3HB HIS 70 -8.794 5.420 -9.837 529 HD1 HIS 70 1HD HIS 70 -8.329 3.147 -12.877 530 HD2 HIS 70 2HD HIS 70 -8.002 7.168 -11.668 531 HE1 HIS 70 1HE HIS 70 -7.008 4.360 -14.697 532 H VAL 71 H VAL 71 -6.906 2.964 -8.688 533 HA VAL 71 HA VAL 71 -8.218 2.563 -6.083 534 HB VAL 71 HB VAL 71 -5.967 2.031 -5.332 535 1HG1 VAL 71 1HG1 VAL 71 -7.371 0.273 -6.363 536 2HG1 VAL 71 2HG1 VAL 71 -6.614 0.595 -7.940 537 3HG1 VAL 71 3HG1 VAL 71 -5.638 -0.024 -6.597 538 1HG2 VAL 71 1HG2 VAL 71 -5.000 2.527 -8.196 539 2HG2 VAL 71 2HG2 VAL 71 -4.605 3.539 -6.795 540 3HG2 VAL 71 3HG2 VAL 71 -4.055 1.864 -6.859 541 H VAL 72 H VAL 72 -8.205 4.026 -4.395 542 HA VAL 72 HA VAL 72 -7.629 6.805 -5.193 543 HB VAL 72 HB VAL 72 -8.772 5.635 -2.634 544 1HG1 VAL 72 1HG1 VAL 72 -7.996 8.005 -2.322 545 2HG1 VAL 72 2HG1 VAL 72 -8.864 8.472 -3.796 546 3HG1 VAL 72 3HG1 VAL 72 -9.757 7.926 -2.364 547 1HG2 VAL 72 1HG2 VAL 72 -10.178 6.738 -5.094 548 2HG2 VAL 72 2HG2 VAL 72 -10.208 5.049 -4.547 549 3HG2 VAL 72 3HG2 VAL 72 -10.975 6.297 -3.571 550 H THR 73 H THR 73 -5.292 5.864 -5.431 551 HA THR 73 HA THR 73 -3.817 6.012 -2.839 552 HB THR 73 HB THR 73 -2.992 4.330 -5.207 553 HG1 THR 73 1HG THR 73 -4.064 2.606 -4.058 554 1HG2 THR 73 1HG2 THR 73 -1.400 4.815 -3.286 555 2HG2 THR 73 2HG2 THR 73 -2.563 3.930 -2.251 556 3HG2 THR 73 3HG2 THR 73 -1.730 3.103 -3.580 557 H GLU 74 H GLU 74 -2.107 7.418 -2.757 558 HA GLU 74 HA GLU 74 -1.459 8.913 -5.273 559 1HB GLU 74 2HB GLU 74 -2.004 9.967 -2.475 560 2HB GLU 74 3HB GLU 74 -1.425 10.928 -3.835 561 1HG GLU 74 2HG GLU 74 -3.811 9.436 -4.656 562 2HG GLU 74 3HG GLU 74 -4.126 10.320 -3.159 563 H LYS 75 H LYS 75 0.580 9.381 -5.586 564 HA LYS 75 HA LYS 75 2.726 8.331 -3.860 565 1HB LYS 75 2HB LYS 75 4.177 8.600 -5.648 566 2HB LYS 75 3HB LYS 75 2.682 7.905 -6.273 567 1HG LYS 75 2HG LYS 75 2.092 10.400 -6.890 568 2HG LYS 75 3HG LYS 75 3.836 10.623 -6.711 569 1HD LYS 75 2HD LYS 75 3.525 10.120 -9.008 570 2HD LYS 75 3HD LYS 75 4.202 8.665 -8.268 571 1HE LYS 75 2HE LYS 75 1.294 8.516 -8.091 572 2HE LYS 75 3HE LYS 75 1.703 9.018 -9.731 573 1HZ LYS 75 1HZ LYS 75 2.736 6.611 -8.352 574 2HZ LYS 75 2HZ LYS 75 1.582 6.625 -9.493 575 3HZ LYS 75 3HZ LYS 75 3.125 7.049 -9.878 576 H ALA 76 H ALA 76 2.741 9.564 -2.071 577 HA ALA 76 HA ALA 76 3.221 12.533 -2.409 578 1HB ALA 76 1HB ALA 76 2.557 10.876 0.041 579 2HB ALA 76 2HB ALA 76 2.857 12.635 0.012 580 3HB ALA 76 3HB ALA 76 1.460 11.953 -0.843 581 H GLU 77 H GLU 77 5.138 13.511 -1.414 582 HA GLU 77 HA GLU 77 7.388 11.584 -1.012 583 1HB GLU 77 2HB GLU 77 7.409 14.474 -1.934 584 2HB GLU 77 3HB GLU 77 8.778 13.581 -1.255 585 1HG GLU 77 2HG GLU 77 8.631 11.883 -3.028 586 2HG GLU 77 3HG GLU 77 7.404 12.878 -3.836 587 H PHE 78 H PHE 78 8.257 11.362 0.914 588 HA PHE 78 HA PHE 78 7.829 13.415 3.039 589 1HB PHE 78 2HB PHE 78 7.607 10.399 3.120 590 2HB PHE 78 3HB PHE 78 7.987 11.361 4.536 591 HD1 PHE 78 1HD PHE 78 6.144 12.065 5.929 592 HD2 PHE 78 2HD PHE 78 5.436 11.233 1.753 593 HE1 PHE 78 1HE PHE 78 3.771 12.546 6.236 594 HE2 PHE 78 2HE PHE 78 3.036 11.784 2.090 595 HZ PHE 78 HZ PHE 78 2.226 12.524 4.260 596 H ASP 79 H ASP 79 9.473 13.452 4.606 597 HA ASP 79 HA ASP 79 12.197 12.979 3.507 598 1HB ASP 79 2HB ASP 79 11.112 15.379 3.769 599 2HB ASP 79 3HB ASP 79 11.467 15.149 5.477 600 H ILE 80 H ILE 80 13.830 12.355 5.193 601 HA ILE 80 HA ILE 80 12.549 11.069 7.589 602 HB ILE 80 HB ILE 80 14.923 10.061 6.020 603 1HG1 ILE 80 2HG1 ILE 80 12.081 9.012 5.702 604 2HG1 ILE 80 3HG1 ILE 80 12.822 10.142 4.552 605 1HG2 ILE 80 1HG2 ILE 80 14.338 7.953 7.250 606 2HG2 ILE 80 2HG2 ILE 80 14.670 9.290 8.354 607 3HG2 ILE 80 3HG2 ILE 80 12.994 8.803 8.028 608 1HD1 ILE 80 1HD1 ILE 80 13.920 7.421 5.170 609 2HD1 ILE 80 2HD1 ILE 80 13.112 7.993 3.703 610 3HD1 ILE 80 3HD1 ILE 80 14.670 8.689 4.150 611 H GLU 81 H GLU 81 13.413 11.838 9.562 612 HA GLU 81 HA GLU 81 16.068 13.292 9.334 613 1HB GLU 81 2HB GLU 81 14.006 14.666 9.471 614 2HB GLU 81 3HB GLU 81 13.684 13.935 11.035 615 1HG GLU 81 2HG GLU 81 15.995 14.949 11.760 616 2HG GLU 81 3HG GLU 81 16.024 15.721 10.179 617 H GLY 82 H GLY 82 16.099 10.737 9.640 618 1HA GLY 82 2HA GLY 82 16.600 10.123 12.549 619 2HA GLY 82 3HA GLY 82 15.524 9.122 11.580 620 H MET 83 H MET 83 16.996 8.686 9.184 621 HA MET 83 HA MET 83 18.477 6.593 9.755 622 1HB MET 83 2HB MET 83 18.936 8.565 7.495 623 2HB MET 83 3HB MET 83 19.481 6.880 7.473 624 1HG MET 83 2HG MET 83 17.390 6.057 7.019 625 2HG MET 83 3HG MET 83 16.523 7.349 7.821 626 1HE MET 83 1HE MET 83 18.554 6.279 4.700 627 2HE MET 83 2HE MET 83 18.491 7.743 3.691 628 3HE MET 83 3HE MET 83 19.435 7.746 5.191 629 H THR 84 H THR 84 20.228 6.221 10.907 630 HA THR 84 HA THR 84 22.371 8.269 11.069 631 HB THR 84 HB THR 84 21.343 7.242 13.085 632 HG1 THR 84 1HG THR 84 23.336 7.069 14.116 633 1HG2 THR 84 1HG2 THR 84 22.972 4.772 12.341 634 2HG2 THR 84 2HG2 THR 84 22.061 5.043 13.835 635 3HG2 THR 84 3HG2 THR 84 21.198 4.870 12.301 636 H CYS 85 H CYS 85 21.723 6.419 8.624 637 HA CYS 85 HA CYS 85 22.974 5.564 6.956 638 1HB CYS 85 2HB CYS 85 24.370 7.623 7.335 639 2HB CYS 85 3HB CYS 85 25.453 6.644 8.351 640 HG CYS 85 HG CYS 85 24.617 6.368 5.187 641 H ALA 86 H ALA 86 22.131 3.678 8.222 642 HA ALA 86 HA ALA 86 24.305 1.676 8.397 643 1HB ALA 86 1HB ALA 86 23.221 0.637 10.397 644 2HB ALA 86 2HB ALA 86 23.944 2.220 10.736 645 3HB ALA 86 3HB ALA 86 22.189 2.075 10.571 646 H ALA 87 H ALA 87 20.804 1.618 9.120 647 HA ALA 87 HA ALA 87 20.094 0.704 6.436 648 1HB ALA 87 1HB ALA 87 21.039 -1.375 7.433 649 2HB ALA 87 2HB ALA 87 19.941 -1.206 8.818 650 3HB ALA 87 3HB ALA 87 19.297 -1.531 7.198 651 H CYS 88 H CYS 88 19.263 2.999 8.287 652 HA CYS 88 HA CYS 88 16.934 2.131 9.747 653 1HB CYS 88 2HB CYS 88 18.011 4.788 8.782 654 2HB CYS 88 3HB CYS 88 16.601 4.659 9.861 655 HG CYS 88 HG CYS 88 19.560 3.294 10.421 656 H ALA 89 H ALA 89 17.507 3.876 6.657 657 HA ALA 89 HA ALA 89 14.760 4.000 5.884 658 1HB ALA 89 1HB ALA 89 17.353 4.182 4.373 659 2HB ALA 89 2HB ALA 89 15.796 4.181 3.521 660 3HB ALA 89 3HB ALA 89 16.147 5.438 4.708 661 H ASN 90 H ASN 90 17.252 1.436 5.357 662 HA ASN 90 HA ASN 90 15.642 -0.121 3.624 663 1HB ASN 90 2HB ASN 90 17.740 -0.997 5.643 664 2HB ASN 90 3HB ASN 90 16.886 -2.128 4.590 665 1HD2 ASN 90 1HD2 ASN 90 18.659 -2.800 3.317 666 2HD2 ASN 90 2HD2 ASN 90 19.496 -1.677 2.265 667 H ARG 91 H ARG 91 15.881 -0.167 7.180 668 HA ARG 91 HA ARG 91 13.895 -2.175 7.689 669 1HB ARG 91 2HB ARG 91 15.295 -0.015 9.231 670 2HB ARG 91 3HB ARG 91 13.737 -0.492 9.857 671 1HG ARG 91 2HG ARG 91 15.538 -1.728 10.901 672 2HG ARG 91 3HG ARG 91 14.413 -2.809 10.071 673 1HD ARG 91 2HD ARG 91 16.012 -3.354 8.375 674 2HD ARG 91 3HD ARG 91 16.880 -1.852 8.618 675 HE ARG 91 HE ARG 91 18.217 -2.755 10.147 676 1HH1 ARG 91 2HH2 ARG 91 15.392 -4.830 9.912 677 2HH1 ARG 91 1HH2 ARG 91 15.986 -6.057 10.993 678 1HH2 ARG 91 2HH1 ARG 91 19.048 -4.333 11.608 679 2HH2 ARG 91 1HH1 ARG 91 18.128 -5.750 11.985 680 H ILE 92 H ILE 92 13.661 1.394 7.517 681 HA ILE 92 HA ILE 92 10.902 1.542 8.002 682 HB ILE 92 HB ILE 92 12.970 3.335 7.603 683 1HG1 ILE 92 2HG1 ILE 92 10.049 3.942 7.969 684 2HG1 ILE 92 3HG1 ILE 92 11.210 3.475 9.222 685 1HG2 ILE 92 1HG2 ILE 92 12.367 4.978 5.966 686 2HG2 ILE 92 2HG2 ILE 92 12.477 3.463 5.108 687 3HG2 ILE 92 3HG2 ILE 92 10.894 4.108 5.523 688 1HD1 ILE 92 1HD1 ILE 92 11.227 6.032 7.577 689 2HD1 ILE 92 2HD1 ILE 92 11.065 5.844 9.321 690 3HD1 ILE 92 3HD1 ILE 92 12.617 5.497 8.555 691 H GLU 93 H GLU 93 12.633 1.061 4.926 692 HA GLU 93 HA GLU 93 10.482 1.428 3.155 693 1HB GLU 93 2HB GLU 93 12.863 1.440 2.545 694 2HB GLU 93 3HB GLU 93 13.036 -0.254 2.966 695 1HG GLU 93 2HG GLU 93 10.871 0.227 1.027 696 2HG GLU 93 3HG GLU 93 12.434 0.827 0.479 697 H LYS 94 H LYS 94 11.903 -1.554 4.604 698 HA LYS 94 HA LYS 94 9.932 -3.287 3.473 699 1HB LYS 94 2HB LYS 94 11.909 -3.588 5.753 700 2HB LYS 94 3HB LYS 94 10.668 -4.808 5.458 701 1HG LYS 94 2HG LYS 94 12.541 -5.585 4.291 702 2HG LYS 94 3HG LYS 94 11.409 -4.990 3.075 703 1HD LYS 94 2HD LYS 94 12.822 -2.811 3.054 704 2HD LYS 94 3HD LYS 94 13.940 -3.647 4.127 705 1HE LYS 94 2HE LYS 94 14.842 -3.823 1.955 706 2HE LYS 94 3HE LYS 94 14.180 -5.433 2.298 707 1HZ LYS 94 1HZ LYS 94 12.955 -3.269 0.695 708 2HZ LYS 94 2HZ LYS 94 13.621 -4.621 0.076 709 3HZ LYS 94 3HZ LYS 94 12.217 -4.697 0.948 710 H ARG 95 H ARG 95 9.707 -1.146 6.231 711 HA ARG 95 HA ARG 95 7.191 -2.409 7.183 712 1HB ARG 95 2HB ARG 95 8.823 -0.024 7.981 713 2HB ARG 95 3HB ARG 95 7.077 0.133 8.135 714 1HG ARG 95 2HG ARG 95 7.908 -0.634 10.178 715 2HG ARG 95 3HG ARG 95 6.944 -1.919 9.458 716 1HD ARG 95 2HD ARG 95 9.762 -2.182 8.661 717 2HD ARG 95 3HD ARG 95 9.675 -2.056 10.399 718 HE ARG 95 HE ARG 95 8.933 -4.289 8.768 719 1HH1 ARG 95 2HH2 ARG 95 7.909 -2.574 11.651 720 2HH1 ARG 95 1HH2 ARG 95 7.358 -3.971 12.526 721 1HH2 ARG 95 2HH1 ARG 95 8.247 -6.220 9.896 722 2HH2 ARG 95 1HH1 ARG 95 7.519 -6.096 11.464 723 H LEU 96 H LEU 96 7.899 0.779 5.828 724 HA LEU 96 HA LEU 96 5.339 1.604 5.230 725 1HB LEU 96 2HB LEU 96 7.996 2.321 4.036 726 2HB LEU 96 3HB LEU 96 6.500 2.950 3.345 727 HG LEU 96 HG LEU 96 6.438 3.235 6.256 728 1HD1 LEU 96 1HD1 LEU 96 8.812 3.474 6.078 729 2HD1 LEU 96 2HD1 LEU 96 8.656 4.651 4.748 730 3HD1 LEU 96 3HD1 LEU 96 8.086 5.059 6.385 731 1HD2 LEU 96 1HD2 LEU 96 5.785 5.520 5.641 732 2HD2 LEU 96 2HD2 LEU 96 6.316 5.261 3.969 733 3HD2 LEU 96 3HD2 LEU 96 4.920 4.364 4.604 734 H ASN 97 H ASN 97 7.394 -0.370 3.138 735 HA ASN 97 HA ASN 97 6.238 -0.745 0.758 736 1HB ASN 97 2HB ASN 97 7.354 -2.616 2.793 737 2HB ASN 97 3HB ASN 97 6.244 -3.400 1.687 738 1HD2 ASN 97 1HD2 ASN 97 9.014 -1.166 1.600 739 2HD2 ASN 97 2HD2 ASN 97 9.869 -1.995 0.325 740 H LYS 98 H LYS 98 4.721 -1.907 3.799 741 HA LYS 98 HA LYS 98 2.095 -1.995 2.554 742 1HB LYS 98 2HB LYS 98 1.732 -4.418 2.707 743 2HB LYS 98 3HB LYS 98 2.947 -3.969 1.528 744 1HG LYS 98 2HG LYS 98 4.202 -5.588 2.401 745 2HG LYS 98 3HG LYS 98 4.616 -4.413 3.629 746 1HD LYS 98 2HD LYS 98 2.138 -5.740 4.422 747 2HD LYS 98 3HD LYS 98 3.280 -6.970 3.926 748 1HE LYS 98 2HE LYS 98 3.937 -4.767 5.950 749 2HE LYS 98 3HE LYS 98 3.281 -6.346 6.380 750 1HZ LYS 98 1HZ LYS 98 5.223 -7.354 5.401 751 2HZ LYS 98 2HZ LYS 98 5.838 -5.875 4.988 752 3HZ LYS 98 3HZ LYS 98 5.648 -6.278 6.568 753 H ILE 99 H ILE 99 2.619 -0.452 4.582 754 HA ILE 99 HA ILE 99 2.305 -1.615 7.179 755 HB ILE 99 HB ILE 99 1.714 1.086 5.987 756 1HG1 ILE 99 2HG1 ILE 99 4.047 0.352 6.482 757 2HG1 ILE 99 3HG1 ILE 99 3.542 1.836 7.297 758 1HG2 ILE 99 1HG2 ILE 99 0.008 1.104 7.542 759 2HG2 ILE 99 2HG2 ILE 99 0.941 0.216 8.774 760 3HG2 ILE 99 3HG2 ILE 99 1.338 1.903 8.371 761 1HD1 ILE 99 1HD1 ILE 99 4.850 0.512 8.821 762 2HD1 ILE 99 2HD1 ILE 99 3.186 0.495 9.406 763 3HD1 ILE 99 3HD1 ILE 99 3.854 -0.924 8.568 764 H GLU 100 H GLU 100 -0.367 -0.132 5.309 765 HA GLU 100 HA GLU 100 -1.920 -2.618 5.703 766 1HB GLU 100 2HB GLU 100 -2.821 0.102 6.739 767 2HB GLU 100 3HB GLU 100 -3.941 -1.190 6.298 768 1HG GLU 100 2HG GLU 100 -3.800 -1.581 8.529 769 2HG GLU 100 3HG GLU 100 -2.536 -2.676 7.963 770 H GLY 101 H GLY 101 -2.307 0.759 4.570 771 1HA GLY 101 2HA GLY 101 -3.281 -0.285 1.926 772 2HA GLY 101 3HA GLY 101 -3.852 1.193 2.728 773 H VAL 102 H VAL 102 -0.670 -0.284 1.984 774 HA VAL 102 HA VAL 102 0.180 2.209 0.566 775 HB VAL 102 HB VAL 102 2.006 0.321 2.066 776 1HG1 VAL 102 1HG1 VAL 102 3.157 1.531 0.347 777 2HG1 VAL 102 2HG1 VAL 102 2.283 3.029 0.700 778 3HG1 VAL 102 3HG1 VAL 102 3.483 2.452 1.827 779 1HG2 VAL 102 1HG2 VAL 102 2.135 2.119 3.788 780 2HG2 VAL 102 2HG2 VAL 102 0.784 2.951 2.999 781 3HG2 VAL 102 3HG2 VAL 102 0.538 1.358 3.727 782 H ALA 103 H ALA 103 0.759 1.994 -1.462 783 HA ALA 103 HA ALA 103 0.605 -0.655 -2.743 784 1HB ALA 103 1HB ALA 103 0.922 2.169 -3.829 785 2HB ALA 103 2HB ALA 103 1.035 0.714 -4.828 786 3HB ALA 103 3HB ALA 103 -0.478 1.105 -4.010 787 H ASN 104 H ASN 104 2.872 2.081 -2.218 788 HA ASN 104 HA ASN 104 5.182 0.274 -2.413 789 1HB ASN 104 2HB ASN 104 4.880 2.541 -4.439 790 2HB ASN 104 3HB ASN 104 6.317 1.563 -4.186 791 1HD2 ASN 104 1HD2 ASN 104 3.488 1.870 -6.031 792 2HD2 ASN 104 2HD2 ASN 104 3.462 0.220 -6.658 793 H ALA 105 H ALA 105 7.184 1.445 -2.018 794 HA ALA 105 HA ALA 105 6.978 4.080 -0.806 795 1HB ALA 105 1HB ALA 105 6.067 2.733 1.006 796 2HB ALA 105 2HB ALA 105 7.516 1.701 0.992 797 3HB ALA 105 3HB ALA 105 7.647 3.418 1.443 798 HA PRO 106 HA PRO 106 11.196 2.693 -2.282 799 1HB PRO 106 2HB PRO 106 11.660 4.454 -4.317 800 2HB PRO 106 3HB PRO 106 10.726 2.942 -4.526 801 1HG PRO 106 2HG PRO 106 9.676 5.722 -4.049 802 2HG PRO 106 3HG PRO 106 9.133 4.565 -5.295 803 1HD PRO 106 2HD PRO 106 7.775 4.832 -2.931 804 2HD PRO 106 3HD PRO 106 7.985 3.238 -3.706 805 H VAL 107 H VAL 107 12.981 3.502 -1.351 806 HA VAL 107 HA VAL 107 12.876 6.138 -0.021 807 HB VAL 107 HB VAL 107 14.852 5.285 1.228 808 1HG1 VAL 107 1HG1 VAL 107 13.563 3.734 2.659 809 2HG1 VAL 107 2HG1 VAL 107 12.605 5.136 2.183 810 3HG1 VAL 107 3HG1 VAL 107 12.330 3.575 1.390 811 1HG2 VAL 107 1HG2 VAL 107 15.651 3.534 -0.383 812 2HG2 VAL 107 2HG2 VAL 107 15.391 2.911 1.248 813 3HG2 VAL 107 3HG2 VAL 107 14.208 2.569 -0.017 814 H ASN 108 H ASN 108 14.234 7.801 -0.608 815 HA ASN 108 HA ASN 108 15.672 7.547 -3.144 816 1HB ASN 108 2HB ASN 108 15.356 9.797 -1.104 817 2HB ASN 108 3HB ASN 108 16.318 9.949 -2.570 818 1HD2 ASN 108 1HD2 ASN 108 15.325 10.805 -4.328 819 2HD2 ASN 108 2HD2 ASN 108 13.587 10.860 -4.531 820 H PHE 109 H PHE 109 16.459 7.716 0.291 821 HA PHE 109 HA PHE 109 18.287 7.646 1.489 822 1HB PHE 109 2HB PHE 109 19.169 6.077 -0.884 823 2HB PHE 109 3HB PHE 109 20.443 6.844 0.022 824 HD1 PHE 109 1HD PHE 109 17.934 4.206 0.069 825 HD2 PHE 109 2HD PHE 109 20.720 6.440 2.487 826 HE1 PHE 109 1HE PHE 109 17.924 2.401 1.744 827 HE2 PHE 109 2HE PHE 109 20.652 4.663 4.206 828 HZ PHE 109 HZ PHE 109 19.399 2.553 3.762 829 H ALA 110 H ALA 110 19.128 8.999 -1.725 830 HA ALA 110 HA ALA 110 21.563 10.087 -0.905 831 1HB ALA 110 1HB ALA 110 20.930 9.745 -3.254 832 2HB ALA 110 2HB ALA 110 19.714 11.038 -3.139 833 3HB ALA 110 3HB ALA 110 21.443 11.423 -2.982 834 H LEU 111 H LEU 111 18.330 11.531 -0.838 835 HA LEU 111 HA LEU 111 19.424 13.913 0.612 836 1HB LEU 111 2HB LEU 111 16.717 14.313 -0.241 837 2HB LEU 111 3HB LEU 111 18.143 15.229 -0.616 838 HG LEU 111 HG LEU 111 17.358 12.721 -2.190 839 1HD1 LEU 111 1HD1 LEU 111 16.393 14.248 -3.851 840 2HD1 LEU 111 2HD1 LEU 111 15.507 14.268 -2.317 841 3HD1 LEU 111 3HD1 LEU 111 16.602 15.608 -2.727 842 1HD2 LEU 111 1HD2 LEU 111 19.051 15.172 -2.936 843 2HD2 LEU 111 2HD2 LEU 111 19.757 13.632 -2.439 844 3HD2 LEU 111 3HD2 LEU 111 18.800 13.721 -3.924 845 H GLU 112 H GLU 112 18.597 11.045 1.574 846 HA GLU 112 HA GLU 112 17.378 10.028 3.151 847 1HB GLU 112 2HB GLU 112 17.848 12.740 4.445 848 2HB GLU 112 3HB GLU 112 17.271 11.321 5.318 849 1HG GLU 112 2HG GLU 112 19.247 10.037 4.696 850 2HG GLU 112 3HG GLU 112 19.864 11.350 3.687 851 H THR 113 H THR 113 15.667 10.271 1.299 852 HA THR 113 HA THR 113 13.179 11.275 2.555 853 HB THR 113 HB THR 113 12.483 12.487 0.744 854 HG1 THR 113 1HG THR 113 12.810 10.881 -0.916 855 1HG2 THR 113 1HG2 THR 113 15.477 12.617 0.318 856 2HG2 THR 113 2HG2 THR 113 14.333 13.850 -0.145 857 3HG2 THR 113 3HG2 THR 113 14.619 13.538 1.582 858 H VAL 114 H VAL 114 11.225 10.313 1.686 859 HA VAL 114 HA VAL 114 11.531 7.765 0.262 860 HB VAL 114 HB VAL 114 11.586 7.052 2.557 861 1HG1 VAL 114 1HG1 VAL 114 9.913 7.527 4.225 862 2HG1 VAL 114 2HG1 VAL 114 10.561 9.072 3.654 863 3HG1 VAL 114 3HG1 VAL 114 8.974 8.508 3.093 864 1HG2 VAL 114 1HG2 VAL 114 8.754 6.567 1.609 865 2HG2 VAL 114 2HG2 VAL 114 10.186 5.729 0.964 866 3HG2 VAL 114 3HG2 VAL 114 9.739 5.547 2.666 867 H THR 115 H THR 115 9.988 7.521 -1.277 868 HA THR 115 HA THR 115 7.744 9.467 -1.318 869 HB THR 115 HB THR 115 8.319 7.172 -3.196 870 HG1 THR 115 1HG THR 115 9.331 9.811 -3.203 871 1HG2 THR 115 1HG2 THR 115 6.783 9.774 -3.578 872 2HG2 THR 115 2HG2 THR 115 7.026 8.487 -4.783 873 3HG2 THR 115 3HG2 THR 115 6.075 8.161 -3.320 874 H VAL 116 H VAL 116 5.670 8.757 -0.717 875 HA VAL 116 HA VAL 116 5.341 5.897 0.057 876 HB VAL 116 HB VAL 116 5.435 7.350 2.039 877 1HG1 VAL 116 1HG1 VAL 116 3.753 8.944 2.590 878 2HG1 VAL 116 2HG1 VAL 116 4.380 9.408 0.994 879 3HG1 VAL 116 3HG1 VAL 116 2.813 8.603 1.139 880 1HG2 VAL 116 1HG2 VAL 116 2.730 6.135 1.426 881 2HG2 VAL 116 2HG2 VAL 116 4.146 5.256 2.040 882 3HG2 VAL 116 3HG2 VAL 116 3.353 6.482 3.045 883 H GLU 117 H GLU 117 4.132 4.963 -1.454 884 HA GLU 117 HA GLU 117 2.018 6.533 -2.882 885 1HB GLU 117 2HB GLU 117 3.828 4.272 -3.601 886 2HB GLU 117 3HB GLU 117 2.124 3.991 -3.974 887 1HG GLU 117 2HG GLU 117 2.018 6.133 -5.163 888 2HG GLU 117 3HG GLU 117 3.792 6.289 -4.965 889 H TYR 118 H TYR 118 0.327 6.507 -1.438 890 HA TYR 118 HA TYR 118 -0.629 3.863 -0.578 891 1HB TYR 118 2HB TYR 118 -0.505 4.207 1.707 892 2HB TYR 118 3HB TYR 118 1.056 4.789 1.189 893 HD1 TYR 118 HD1 TYR 118 -1.461 5.337 3.435 894 HD2 TYR 118 HD2 TYR 118 0.734 7.571 0.459 895 HE1 TYR 118 HE1 TYR 118 -1.919 7.418 4.646 896 HE2 TYR 118 HE2 TYR 118 0.239 9.653 1.654 897 HH TYR 118 HH TYR 118 -0.702 10.600 3.560 898 H ASN 119 H ASN 119 -2.605 4.118 0.804 899 HA ASN 119 HA ASN 119 -4.443 5.832 -0.749 900 1HB ASN 119 2HB ASN 119 -4.596 3.347 -0.686 901 2HB ASN 119 3HB ASN 119 -5.031 3.445 1.023 902 1HD2 ASN 119 1HD2 ASN 119 -6.220 3.296 -2.093 903 2HD2 ASN 119 2HD2 ASN 119 -7.859 3.826 -1.818 904 HA PRO 120 HA PRO 120 -4.170 8.051 3.221 905 1HB PRO 120 2HB PRO 120 -4.897 10.548 2.460 906 2HB PRO 120 3HB PRO 120 -3.354 9.821 1.937 907 1HG PRO 120 2HG PRO 120 -5.969 9.843 0.390 908 2HG PRO 120 3HG PRO 120 -4.367 10.415 -0.171 909 1HD PRO 120 2HD PRO 120 -5.240 7.922 -0.730 910 2HD PRO 120 3HD PRO 120 -3.528 8.223 -0.301 911 H LYS 121 H LYS 121 -6.790 6.657 1.904 912 HA LYS 121 HA LYS 121 -8.759 8.026 3.695 913 1HB LYS 121 2HB LYS 121 -9.278 5.751 1.756 914 2HB LYS 121 3HB LYS 121 -10.435 6.790 2.590 915 1HG LYS 121 2HG LYS 121 -8.525 7.592 0.350 916 2HG LYS 121 3HG LYS 121 -10.272 7.367 0.263 917 1HD LYS 121 2HD LYS 121 -10.433 9.239 2.088 918 2HD LYS 121 3HD LYS 121 -8.716 9.511 1.799 919 1HE LYS 121 2HE LYS 121 -9.897 11.128 0.499 920 2HE LYS 121 3HE LYS 121 -9.197 9.954 -0.624 921 1HZ LYS 121 1HZ LYS 121 -11.474 10.492 -1.169 922 2HZ LYS 121 2HZ LYS 121 -11.372 8.906 -0.749 923 3HZ LYS 121 3HZ LYS 121 -12.000 9.999 0.310 924 H GLU 122 H GLU 122 -7.378 4.841 2.825 925 HA GLU 122 HA GLU 122 -8.561 3.505 5.027 926 1HB GLU 122 2HB GLU 122 -7.371 2.719 2.690 927 2HB GLU 122 3HB GLU 122 -6.079 2.346 3.839 928 1HG GLU 122 2HG GLU 122 -7.361 0.373 3.756 929 2HG GLU 122 3HG GLU 122 -7.956 1.143 5.224 930 H ALA 123 H ALA 123 -5.333 4.993 4.592 931 HA ALA 123 HA ALA 123 -4.838 4.773 7.528 932 1HB ALA 123 1HB ALA 123 -2.476 4.258 7.086 933 2HB ALA 123 2HB ALA 123 -3.513 2.993 6.411 934 3HB ALA 123 3HB ALA 123 -2.790 4.212 5.336 935 H SER 124 H SER 124 -2.711 6.333 7.892 936 HA SER 124 HA SER 124 -2.888 8.727 6.152 937 1HB SER 124 2HB SER 124 -3.682 10.188 7.943 938 2HB SER 124 3HB SER 124 -4.884 8.951 7.568 939 HG SER 124 HG SER 124 -4.047 7.748 9.390 940 H VAL 125 H VAL 125 -1.364 10.494 6.864 941 HA VAL 125 HA VAL 125 1.109 9.862 7.647 942 HB VAL 125 HB VAL 125 1.153 12.171 8.498 943 1HG1 VAL 125 1HG1 VAL 125 -0.170 11.895 5.768 944 2HG1 VAL 125 2HG1 VAL 125 0.944 13.174 6.293 945 3HG1 VAL 125 3HG1 VAL 125 1.517 11.498 6.133 946 1HG2 VAL 125 1HG2 VAL 125 -0.715 13.707 8.146 947 2HG2 VAL 125 2HG2 VAL 125 -1.771 12.372 7.666 948 3HG2 VAL 125 3HG2 VAL 125 -1.160 12.476 9.332 949 H SER 126 H SER 126 -1.646 10.304 9.951 950 HA SER 126 HA SER 126 -0.144 10.382 12.327 951 1HB SER 126 2HB SER 126 -2.840 9.048 11.805 952 2HB SER 126 3HB SER 126 -2.239 9.647 13.360 953 HG SER 126 HG SER 126 -2.210 11.751 12.441 954 H ASP 127 H ASP 127 -1.168 7.668 10.297 955 HA ASP 127 HA ASP 127 -0.440 5.562 12.211 956 1HB ASP 127 2HB ASP 127 -1.413 5.711 9.327 957 2HB ASP 127 3HB ASP 127 -0.766 4.217 9.905 958 H LEU 128 H LEU 128 0.891 7.046 9.309 959 HA LEU 128 HA LEU 128 3.227 5.362 9.098 960 1HB LEU 128 2HB LEU 128 2.783 8.183 8.090 961 2HB LEU 128 3HB LEU 128 4.102 7.103 7.618 962 HG LEU 128 HG LEU 128 1.122 6.588 7.138 963 1HD1 LEU 128 1HD1 LEU 128 1.720 6.936 4.783 964 2HD1 LEU 128 2HD1 LEU 128 2.080 8.376 5.754 965 3HD1 LEU 128 3HD1 LEU 128 3.401 7.290 5.267 966 1HD2 LEU 128 1HD2 LEU 128 3.596 4.935 6.501 967 2HD2 LEU 128 2HD2 LEU 128 2.148 4.423 7.391 968 3HD2 LEU 128 3HD2 LEU 128 2.049 4.720 5.655 969 H LYS 129 H LYS 129 2.652 8.533 10.610 970 HA LYS 129 HA LYS 129 5.216 8.954 11.749 971 1HB LYS 129 2HB LYS 129 2.397 9.717 12.571 972 2HB LYS 129 3HB LYS 129 3.750 10.158 13.582 973 1HG LYS 129 2HG LYS 129 4.039 10.798 10.662 974 2HG LYS 129 3HG LYS 129 2.762 11.649 11.510 975 1HD LYS 129 2HD LYS 129 4.824 12.938 11.449 976 2HD LYS 129 3HD LYS 129 4.282 12.644 13.097 977 1HE LYS 129 2HE LYS 129 6.407 10.874 11.797 978 2HE LYS 129 3HE LYS 129 6.822 12.458 12.435 979 1HZ LYS 129 1HZ LYS 129 6.134 11.819 14.608 980 2HZ LYS 129 2HZ LYS 129 5.617 10.346 14.170 981 3HZ LYS 129 3HZ LYS 129 7.148 10.645 14.097 982 H GLU 130 H GLU 130 2.293 7.376 13.238 983 HA GLU 130 HA GLU 130 3.659 6.579 15.567 984 1HB GLU 130 2HB GLU 130 1.190 5.582 14.123 985 2HB GLU 130 3HB GLU 130 1.898 4.550 15.338 986 1HG GLU 130 2HG GLU 130 1.876 6.989 16.692 987 2HG GLU 130 3HG GLU 130 0.438 7.116 15.677 988 H ALA 131 H ALA 131 3.443 4.812 12.480 989 HA ALA 131 HA ALA 131 4.836 2.488 13.338 990 1HB ALA 131 1HB ALA 131 5.242 2.097 10.947 991 2HB ALA 131 2HB ALA 131 3.566 2.606 11.237 992 3HB ALA 131 3HB ALA 131 4.742 3.756 10.567 993 H VAL 132 H VAL 132 6.119 5.525 11.767 994 HA VAL 132 HA VAL 132 8.794 4.490 11.737 995 HB VAL 132 HB VAL 132 7.599 7.234 11.288 996 1HG1 VAL 132 1HG1 VAL 132 10.003 7.756 10.452 997 2HG1 VAL 132 2HG1 VAL 132 9.724 7.736 12.193 998 3HG1 VAL 132 3HG1 VAL 132 10.481 6.340 11.405 999 1HG2 VAL 132 1HG2 VAL 132 7.155 5.735 9.470 1000 2HG2 VAL 132 2HG2 VAL 132 8.619 6.590 8.963 1001 3HG2 VAL 132 3HG2 VAL 132 8.738 4.959 9.600 1002 H ASP 133 H ASP 133 6.913 6.441 14.020 1003 HA ASP 133 HA ASP 133 9.051 7.191 15.678 1004 1HB ASP 133 2HB ASP 133 6.071 6.823 16.218 1005 2HB ASP 133 3HB ASP 133 7.215 7.603 17.300 1006 H LYS 134 H LYS 134 6.761 4.399 15.735 1007 HA LYS 134 HA LYS 134 7.939 2.964 17.869 1008 1HB LYS 134 2HB LYS 134 6.106 2.318 15.638 1009 2HB LYS 134 3HB LYS 134 7.248 1.026 15.938 1010 1HG LYS 134 2HG LYS 134 5.511 0.444 17.291 1011 2HG LYS 134 3HG LYS 134 6.648 1.170 18.413 1012 1HD LYS 134 2HD LYS 134 5.011 2.552 19.121 1013 2HD LYS 134 3HD LYS 134 4.976 3.322 17.529 1014 1HE LYS 134 2HE LYS 134 3.323 1.663 16.726 1015 2HE LYS 134 3HE LYS 134 3.429 0.779 18.261 1016 1HZ LYS 134 1HZ LYS 134 2.284 3.495 17.919 1017 2HZ LYS 134 2HZ LYS 134 1.490 2.146 18.221 1018 3HZ LYS 134 3HZ LYS 134 2.503 2.751 19.357 1019 H LEU 135 H LEU 135 8.850 2.964 14.397 1020 HA LEU 135 HA LEU 135 11.060 1.141 14.648 1021 1HB LEU 135 2HB LEU 135 10.182 3.200 12.660 1022 2HB LEU 135 3HB LEU 135 11.834 2.667 12.560 1023 HG LEU 135 HG LEU 135 10.231 1.542 11.030 1024 1HD1 LEU 135 1HD1 LEU 135 11.273 -0.567 11.120 1025 2HD1 LEU 135 2HD1 LEU 135 12.460 0.638 11.619 1026 3HD1 LEU 135 3HD1 LEU 135 11.688 -0.391 12.847 1027 1HD2 LEU 135 1HD2 LEU 135 9.188 0.288 13.622 1028 2HD2 LEU 135 2HD2 LEU 135 8.274 1.101 12.333 1029 3HD2 LEU 135 3HD2 LEU 135 9.017 -0.477 12.055 1030 H GLY 136 H GLY 136 10.791 4.328 15.968 1031 1HA GLY 136 2HA GLY 136 12.313 5.459 17.214 1032 2HA GLY 136 3HA GLY 136 13.493 4.164 16.964 1033 H TYR 137 H TYR 137 11.872 5.872 14.321 1034 HA TYR 137 HA TYR 137 14.213 7.664 13.896 1035 1HB TYR 137 2HB TYR 137 12.608 6.481 11.621 1036 2HB TYR 137 3HB TYR 137 14.091 7.405 11.514 1037 HD1 TYR 137 HD1 TYR 137 12.972 4.353 10.737 1038 HD2 TYR 137 HD2 TYR 137 15.940 6.059 13.361 1039 HE1 TYR 137 HE1 TYR 137 14.115 2.173 10.866 1040 HE2 TYR 137 HE2 TYR 137 16.942 3.818 13.666 1041 HH TYR 137 HH TYR 137 15.604 0.907 12.099 1042 H LYS 138 H LYS 138 13.027 9.498 12.122 1043 HA LYS 138 HA LYS 138 10.248 9.835 13.058 1044 1HB LYS 138 2HB LYS 138 10.615 12.068 13.810 1045 2HB LYS 138 3HB LYS 138 11.657 10.944 14.700 1046 1HG LYS 138 2HG LYS 138 13.471 11.553 12.898 1047 2HG LYS 138 3HG LYS 138 12.373 12.883 12.510 1048 1HD LYS 138 2HD LYS 138 12.554 13.061 15.263 1049 2HD LYS 138 3HD LYS 138 14.169 12.428 14.840 1050 1HE LYS 138 2HE LYS 138 14.310 14.186 13.062 1051 2HE LYS 138 3HE LYS 138 12.812 14.917 13.648 1052 1HZ LYS 138 1HZ LYS 138 14.735 16.007 14.239 1053 2HZ LYS 138 2HZ LYS 138 14.050 15.461 15.656 1054 3HZ LYS 138 3HZ LYS 138 15.407 14.720 15.030 1055 H LEU 139 H LEU 139 9.015 10.376 11.492 1056 HA LEU 139 HA LEU 139 10.143 10.742 8.807 1057 1HB LEU 139 2HB LEU 139 8.236 9.041 9.939 1058 2HB LEU 139 3HB LEU 139 7.196 10.284 9.315 1059 HG LEU 139 HG LEU 139 7.597 8.195 7.938 1060 1HD1 LEU 139 1HD1 LEU 139 6.488 10.052 7.037 1061 2HD1 LEU 139 2HD1 LEU 139 8.038 10.879 6.690 1062 3HD1 LEU 139 3HD1 LEU 139 7.586 9.387 5.810 1063 1HD2 LEU 139 1HD2 LEU 139 10.180 8.258 8.215 1064 2HD2 LEU 139 2HD2 LEU 139 9.518 7.896 6.612 1065 3HD2 LEU 139 3HD2 LEU 139 10.147 9.515 6.959 1066 H LYS 140 H LYS 140 9.525 12.525 7.479 1067 HA LYS 140 HA LYS 140 7.753 14.609 8.662 1068 1HB LYS 140 2HB LYS 140 10.598 14.999 7.607 1069 2HB LYS 140 3HB LYS 140 9.428 16.300 7.841 1070 1HG LYS 140 2HG LYS 140 9.280 15.206 10.308 1071 2HG LYS 140 3HG LYS 140 10.915 14.668 9.873 1072 1HD LYS 140 2HD LYS 140 11.577 16.975 9.385 1073 2HD LYS 140 3HD LYS 140 9.920 17.560 9.662 1074 1HE LYS 140 2HE LYS 140 10.008 17.041 12.016 1075 2HE LYS 140 3HE LYS 140 11.520 16.130 11.813 1076 1HZ LYS 140 1HZ LYS 140 12.643 18.075 11.233 1077 2HZ LYS 140 2HZ LYS 140 11.304 19.035 11.382 1078 3HZ LYS 140 3HZ LYS 140 11.978 18.285 12.702 1079 H LEU 141 H LEU 141 7.374 16.316 6.898 1080 HA LEU 141 HA LEU 141 6.868 14.948 4.297 1081 1HB LEU 141 2HB LEU 141 5.757 17.507 5.524 1082 2HB LEU 141 3HB LEU 141 5.555 17.021 3.837 1083 HG LEU 141 HG LEU 141 4.711 14.752 4.801 1084 1HD1 LEU 141 1HD1 LEU 141 3.395 15.029 6.913 1085 2HD1 LEU 141 2HD1 LEU 141 5.129 15.147 7.220 1086 3HD1 LEU 141 3HD1 LEU 141 4.138 16.619 7.154 1087 1HD2 LEU 141 1HD2 LEU 141 2.470 15.482 4.719 1088 2HD2 LEU 141 2HD2 LEU 141 2.924 17.178 4.993 1089 3HD2 LEU 141 3HD2 LEU 141 3.385 16.366 3.486 1090 H LYS 142 H LYS 142 7.558 15.981 2.317 1091 HA LYS 142 HA LYS 142 10.087 17.479 2.616 1092 1HB LYS 142 2HB LYS 142 8.514 16.555 0.192 1093 2HB LYS 142 3HB LYS 142 9.998 17.521 0.128 1094 1HG LYS 142 2HG LYS 142 11.155 15.693 1.516 1095 2HG LYS 142 3HG LYS 142 9.669 14.749 1.317 1096 1HD LYS 142 2HD LYS 142 10.924 13.949 -0.444 1097 2HD LYS 142 3HD LYS 142 10.008 15.260 -1.235 1098 1HE LYS 142 2HE LYS 142 11.869 16.739 -1.197 1099 2HE LYS 142 3HE LYS 142 12.841 15.626 -0.218 1100 1HZ LYS 142 1HZ LYS 142 12.930 14.117 -2.002 1101 2HZ LYS 142 2HZ LYS 142 11.708 14.795 -2.807 1102 3HZ LYS 142 3HZ LYS 142 13.173 15.582 -2.739 1103 H GLY 143 H GLY 143 9.330 19.284 3.725 1104 1HA GLY 143 2HA GLY 143 9.109 21.585 3.604 1105 2HA GLY 143 3HA GLY 143 8.575 21.463 1.927 1106 H GLU 144 H GLU 144 6.414 20.037 1.860 1107 HA GLU 144 HA GLU 144 4.274 20.685 1.619 1108 1HB GLU 144 2HB GLU 144 2.775 20.344 3.442 1109 2HB GLU 144 3HB GLU 144 3.966 19.048 3.362 1110 1HG GLU 144 2HG GLU 144 5.137 19.913 5.311 1111 2HG GLU 144 3HG GLU 144 4.134 21.365 5.336 1112 H GLN 145 H GLN 145 5.996 22.816 1.556 1113 HA GLN 145 HA GLN 145 4.284 25.099 2.374 1114 1HB GLN 145 2HB GLN 145 7.129 24.487 3.247 1115 2HB GLN 145 3HB GLN 145 6.662 26.163 2.986 1116 1HG GLN 145 2HG GLN 145 5.156 24.276 4.843 1117 2HG GLN 145 3HG GLN 145 6.437 25.380 5.355 1118 1HE2 GLN 145 1HE2 GLN 145 4.001 25.679 6.576 1119 2HE2 GLN 145 2HE2 GLN 145 3.244 27.154 5.989 1120 H ASP 146 H ASP 146 7.381 24.185 0.777 1121 HA ASP 146 HA ASP 146 7.464 26.492 -0.788 1122 1HB ASP 146 2HB ASP 146 8.956 23.928 -1.401 1123 2HB ASP 146 3HB ASP 146 9.475 25.598 -1.623 1124 H SER 147 H SER 147 4.953 25.457 -1.415 1125 HA SER 147 HA SER 147 3.525 24.698 -2.995 1126 1HB SER 147 2HB SER 147 5.622 25.706 -4.958 1127 2HB SER 147 3HB SER 147 3.894 25.474 -5.270 1128 HG SER 147 HG SER 147 4.946 27.199 -3.267 1129 H ILE 148 H ILE 148 5.407 22.732 -1.974 1130 HA ILE 148 HA ILE 148 5.977 20.933 -4.243 1131 HB ILE 148 HB ILE 148 6.461 20.726 -1.249 1132 1HG1 ILE 148 2HG1 ILE 148 8.453 20.876 -3.552 1133 2HG1 ILE 148 3HG1 ILE 148 7.844 22.316 -2.745 1134 1HG2 ILE 148 1HG2 ILE 148 7.128 18.754 -3.486 1135 2HG2 ILE 148 2HG2 ILE 148 7.802 18.669 -1.848 1136 3HG2 ILE 148 3HG2 ILE 148 6.079 18.457 -2.086 1137 1HD1 ILE 148 1HD1 ILE 148 9.408 20.097 -1.371 1138 2HD1 ILE 148 2HD1 ILE 148 9.976 21.718 -1.787 1139 3HD1 ILE 148 3HD1 ILE 148 8.698 21.520 -0.573 1140 H GLU 149 H GLU 149 4.200 20.614 -1.160 1141 HA GLU 149 HA GLU 149 2.341 19.623 -0.532 1142 1HB GLU 149 2HB GLU 149 1.296 20.929 -2.378 1143 2HB GLU 149 3HB GLU 149 1.485 19.541 -3.462 1144 1HG GLU 149 2HG GLU 149 -0.809 19.836 -2.531 1145 2HG GLU 149 3HG GLU 149 -0.118 18.249 -2.208 1146 H GLY 150 H GLY 150 1.176 17.531 -0.463 1147 1HA GLY 150 2HA GLY 150 1.240 15.194 -1.548 1148 2HA GLY 150 3HA GLY 150 2.987 15.265 -1.265 1149 H ARG 151 H ARG 151 -0.045 14.500 0.149 1150 HA ARG 151 HA ARG 151 1.168 14.142 2.836 1151 1HB ARG 151 2HB ARG 151 -1.557 15.248 2.045 1152 2HB ARG 151 3HB ARG 151 -1.262 14.472 3.614 1153 1HG ARG 151 2HG ARG 151 0.466 16.024 4.176 1154 2HG ARG 151 3HG ARG 151 0.427 16.802 2.579 1155 1HD ARG 151 2HD ARG 151 -1.706 17.768 3.024 1156 2HD ARG 151 3HD ARG 151 -1.941 16.726 4.458 1157 HE ARG 151 HE ARG 151 0.448 18.427 4.686 1158 1HH1 ARG 151 2HH2 ARG 151 -3.053 18.526 4.980 1159 2HH1 ARG 151 1HH2 ARG 151 -3.065 19.633 6.324 1160 1HH2 ARG 151 2HH1 ARG 151 0.512 19.831 6.327 1161 2HH2 ARG 151 1HH1 ARG 151 -0.916 20.433 7.159
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